#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pn5 s LEU 2 N 0.00 1.50 -0.19 -1.96 2.96 -0.09 -3.44 118.68 117.45 2pn5 s LEU 2 Ca 0.00 -0.54 -0.03 0.00 -0.22 0.00 0.00 54.13 53.34 2pn5 s LEU 2 Cb 0.00 -0.92 -0.01 0.00 0.50 0.00 0.00 46.19 45.76 2pn5 s LEU 2 CO 0.00 -0.15 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.12 2pn5 s VAL 3 N 1.64 3.36 -0.07 1.68 1.01 -0.27 0.22 120.40 127.97 2pn5 s VAL 3 Ca 0.02 -0.52 -0.01 0.00 0.00 0.00 0.00 61.98 61.48 2pn5 s VAL 3 Cb -0.14 -2.50 0.03 0.00 0.00 0.00 0.00 36.38 33.77 2pn5 s VAL 3 CO -0.08 0.46 -0.01 -0.69 0.00 0.00 0.00 175.10 174.77 2pn5 s VAL 4 N 1.06 0.49 0.18 2.92 1.01 0.86 -1.37 120.40 125.56 2pn5 s VAL 4 Ca 0.01 0.04 -0.00 0.00 0.00 0.00 0.00 61.98 62.02 2pn5 s VAL 4 Cb -0.15 -0.61 -0.04 0.00 0.00 0.00 0.00 36.38 35.58 2pn5 s VAL 4 CO -0.01 0.27 0.07 -0.83 0.00 0.00 0.00 175.10 174.61 2pn5 s GLY 5 N 1.82 1.31 0.78 4.51 0.00 -1.11 -0.57 107.32 114.06 2pn5 s GLY 5 Ca 0.03 -1.64 -0.13 0.00 0.00 0.00 0.00 44.72 42.98 2pn5 s GLY 5 CO -0.05 -1.45 1.17 -4.14 0.00 0.00 0.00 173.10 168.63 2pn5 s PRO 6 N -4.05 1.92 -0.01 2.90 0.02 -1.26 -0.67 135.00 133.86 2pn5 s PRO 6 Ca 0.31 1.61 0.22 0.00 0.02 0.00 0.00 61.00 63.15 2pn5 s PRO 6 Cb 0.07 -1.82 -0.28 0.00 0.02 0.00 0.00 34.50 32.49 2pn5 s PRO 6 CO 0.07 -1.97 0.63 1.17 -0.33 0.00 0.00 177.00 176.58 2pn5 n LYS 7 N -3.17 0.51 -4.66 5.54 4.81 -0.39 -4.56 118.16 116.24 2pn5 n LYS 7 Ca 0.12 -0.13 -0.33 0.00 -0.87 0.00 0.00 58.31 57.10 2pn5 n LYS 7 Cb 0.51 -1.54 -0.12 0.00 0.02 0.00 0.00 35.03 33.90 2pn5 n LYS 7 CO 0.00 0.00 0.00 -0.06 1.17 0.00 0.00 177.40 178.51 2pn5 s PHE 8 N -3.39 2.89 -0.03 5.64 0.40 -1.26 -0.48 117.98 121.74 2pn5 s PHE 8 Ca -0.04 -0.24 0.06 0.00 -0.60 0.00 0.00 56.93 56.11 2pn5 s PHE 8 Cb 0.14 -1.78 -0.02 0.00 0.51 0.00 0.00 43.02 41.86 2pn5 s PHE 8 CO 0.89 0.09 -0.19 0.42 0.70 0.00 0.00 175.22 177.13 2pn5 s ILE 9 N -0.25 2.67 0.43 0.64 1.09 -0.17 -4.94 121.20 120.67 2pn5 s ILE 9 Ca 0.03 -0.91 0.03 0.00 -1.10 0.00 0.00 60.65 58.70 2pn5 s ILE 9 Cb -0.13 -2.02 -0.03 0.00 -1.06 0.00 0.00 42.46 39.22 2pn5 s ILE 9 CO 0.03 0.56 0.07 -0.13 -0.10 0.00 0.00 174.94 175.37 2pn5 s ARG 10 N -0.76 1.98 0.26 2.79 0.52 -1.26 0.01 118.95 122.48 2pn5 s ARG 10 Ca 0.11 -2.21 0.03 0.00 -0.52 0.00 0.00 55.73 53.14 2pn5 s ARG 10 Cb -0.10 -1.03 0.33 0.00 0.52 0.00 0.00 34.95 34.67 2pn5 s ARG 10 CO 0.00 -0.37 1.63 0.00 0.02 0.00 0.00 175.30 176.59 2pn5 h ALA 11 N 1.69 0.96 0.00 2.13 0.00 -1.86 -3.39 119.26 118.78 2pn5 h ALA 11 Ca -0.40 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.07 2pn5 h ALA 11 Cb 1.28 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.98 2pn5 h ALA 11 CO 0.66 0.63 -0.61 0.09 0.00 0.00 0.00 179.25 180.02 2pn5 n ASN 12 N -4.00 3.05 -4.60 0.00 4.13 -1.26 -3.10 115.26 109.47 2pn5 n ASN 12 Ca -0.02 0.00 -0.46 0.00 1.68 0.00 0.00 54.58 55.79 2pn5 n ASN 12 Cb 0.52 0.39 -0.02 0.00 -1.54 0.00 0.00 39.78 39.12 2pn5 n ASN 12 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2pn5 n GLN 13 N -1.27 1.40 -2.28 3.52 6.02 -1.26 -4.35 117.38 119.16 2pn5 n GLN 13 Ca 0.00 0.49 -0.42 0.00 -0.01 0.00 0.00 57.00 57.06 2pn5 n GLN 13 Cb 0.22 -1.93 -0.03 0.00 1.02 0.00 0.00 30.24 29.52 2pn5 n GLN 13 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2pn5 s GLU 14 N -1.15 4.31 -0.31 -1.09 2.02 -1.26 -3.85 118.70 117.37 2pn5 s GLU 14 Ca 0.63 1.90 -0.19 0.00 0.02 0.00 0.00 54.97 57.33 2pn5 s GLU 14 Cb -0.73 -3.54 -0.01 0.00 0.10 0.00 0.00 34.13 29.95 2pn5 s GLU 14 CO 0.57 -0.52 0.55 -0.47 0.02 0.00 0.00 175.26 175.41 2pn5 s TYR 15 N 2.20 3.22 -0.34 1.61 5.04 0.77 -4.87 117.35 124.98 2pn5 s TYR 15 Ca 0.62 0.45 -0.07 0.00 -2.44 0.00 0.00 57.07 55.64 2pn5 s TYR 15 Cb -0.30 -2.88 0.04 0.00 0.35 0.00 0.00 41.96 39.17 2pn5 s TYR 15 CO 0.26 -0.43 0.11 0.99 -1.34 0.00 0.00 175.55 175.13 2pn5 s THR 16 N 2.44 3.81 0.12 4.34 2.01 -1.26 -0.03 115.64 127.05 2pn5 s THR 16 Ca 0.21 -1.12 -0.17 0.00 0.31 0.00 0.00 61.69 60.93 2pn5 s THR 16 Cb -0.15 -3.15 -0.07 0.00 0.01 0.00 0.00 72.50 69.14 2pn5 s THR 16 CO 0.12 -0.18 0.56 -0.22 -0.69 0.00 0.00 174.62 174.21 2pn5 s LEU 17 N 1.41 4.42 -0.11 4.42 2.96 -0.42 -4.38 118.68 126.98 2pn5 s LEU 17 Ca -0.02 1.16 0.03 0.00 -0.22 0.00 0.00 54.13 55.09 2pn5 s LEU 17 Cb -0.19 -3.12 0.01 0.00 0.50 0.00 0.00 46.19 43.38 2pn5 s LEU 17 CO 0.03 0.17 -0.21 -0.69 -1.32 0.00 0.00 176.35 174.34 2pn5 s VAL 18 N -1.32 1.85 -0.13 1.68 1.01 0.27 -0.99 120.40 122.77 2pn5 s VAL 18 Ca 0.34 -0.88 0.02 0.00 0.00 0.00 0.00 61.98 61.46 2pn5 s VAL 18 Cb -0.17 -1.63 0.00 0.00 0.00 0.00 0.00 36.38 34.58 2pn5 s VAL 18 CO 0.19 0.51 -0.20 -0.63 0.00 0.00 0.00 175.10 174.97 2pn5 s ILE 19 N 0.62 2.34 -0.17 2.22 1.01 -0.86 -0.10 121.20 126.26 2pn5 s ILE 19 Ca -0.13 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.61 2pn5 s ILE 19 Cb -0.17 -1.94 -0.00 0.00 0.01 0.00 0.00 42.46 40.36 2pn5 s ILE 19 CO 0.04 0.54 -0.12 -0.44 0.00 0.00 0.00 174.94 174.96 2pn5 s SER 20 N 0.62 3.86 -0.44 3.58 0.01 0.13 -1.73 113.70 119.73 2pn5 s SER 20 Ca -0.11 -0.44 -0.11 0.00 1.31 0.00 0.00 55.95 56.61 2pn5 s SER 20 Cb -0.16 -1.62 0.08 0.00 0.21 0.00 0.00 66.02 64.53 2pn5 s SER 20 CO 0.03 0.06 0.30 0.21 0.41 0.00 0.00 173.24 174.25 2pn5 s ASN 21 N 0.98 5.77 0.00 2.44 2.47 -0.31 -0.92 114.94 125.38 2pn5 s ASN 21 Ca -0.02 -1.50 0.10 0.00 0.42 0.00 0.00 52.86 51.87 2pn5 s ASN 21 Cb -0.15 -2.04 0.23 0.00 -1.45 0.00 0.00 41.25 37.85 2pn5 s ASN 21 CO -0.02 -0.58 1.13 2.22 -3.72 0.00 0.00 177.10 176.13 2pn5 n PHE 22 N 4.99 0.32 -2.28 0.43 -1.74 -1.26 -1.36 117.46 116.55 2pn5 n PHE 22 Ca -0.10 -0.35 -0.42 0.00 -0.56 0.00 0.00 57.45 56.01 2pn5 n PHE 22 Cb 0.43 -0.02 -0.03 0.00 1.52 0.00 0.00 39.48 41.38 2pn5 n PHE 22 CO 0.00 0.00 0.00 -0.80 -0.56 0.00 0.00 176.76 175.40 2pn5 s ASN 23 N -0.97 6.92 0.00 5.98 -0.87 -1.26 -4.86 114.94 119.87 2pn5 s ASN 23 Ca 0.19 2.11 0.24 0.00 -1.57 0.00 0.00 52.86 53.84 2pn5 s ASN 23 Cb 0.11 -2.57 0.28 0.00 -0.02 0.00 0.00 41.25 39.05 2pn5 s ASN 23 CO 0.15 -0.63 1.30 -1.54 -2.57 0.00 0.00 177.10 173.81 2pn5 n SER 24 N 4.69 2.63 0.00 -1.22 3.41 -1.26 -4.57 113.62 117.29 2pn5 n SER 24 Ca 0.12 -1.84 0.00 0.00 -0.26 0.00 0.00 58.87 56.88 2pn5 n SER 24 Cb 0.44 0.07 0.00 0.00 -0.26 0.00 0.00 64.21 64.46 2pn5 n SER 24 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pn5 n GLN 25 N 0.96 0.00 -1.62 4.33 3.00 -1.26 -4.88 117.38 117.90 2pn5 n GLN 25 Ca 0.14 0.38 -0.29 0.00 -0.01 0.00 0.00 57.00 57.22 2pn5 n GLN 25 Cb 0.54 -1.15 0.12 0.00 0.00 0.00 0.00 30.24 29.75 2pn5 n GLN 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 2pn5 s LEU 26 N -3.26 2.16 0.04 1.08 1.43 -1.26 -5.00 118.68 113.87 2pn5 s LEU 26 Ca 0.00 0.95 0.18 0.00 -1.03 0.00 0.00 54.13 54.23 2pn5 s LEU 26 Cb 0.00 -3.33 -0.15 0.00 0.03 0.00 0.00 46.19 42.74 2pn5 s LEU 26 CO 0.00 -2.36 0.74 -1.54 0.23 0.00 0.00 176.35 173.42 2pn5 n SER 27 N -3.64 0.69 -3.73 2.29 3.41 -1.26 -4.77 113.62 106.61 2pn5 n SER 27 Ca 0.07 0.30 -0.10 0.00 -0.26 0.00 0.00 58.87 58.88 2pn5 n SER 27 Cb 0.59 0.45 -0.06 0.00 -0.26 0.00 0.00 64.21 64.93 2pn5 n SER 27 CO 0.00 0.00 0.00 -1.59 -0.16 0.00 0.00 175.04 173.29 2pn5 s LYS 28 N -2.99 0.95 -0.02 4.33 -2.85 -1.26 -1.74 119.74 116.16 2pn5 s LYS 28 Ca -0.04 -0.76 0.06 0.00 -1.00 0.00 0.00 55.97 54.24 2pn5 s LYS 28 Cb 0.09 0.41 -0.02 0.00 -2.06 0.00 0.00 37.83 36.25 2pn5 s LYS 28 CO 0.82 -0.34 -0.21 0.08 0.10 0.00 0.00 175.35 175.80 2pn5 s VAL 29 N -3.60 1.65 -0.10 1.79 1.01 0.41 -4.93 120.40 116.63 2pn5 s VAL 29 Ca 0.02 -0.90 -0.02 0.00 0.00 0.00 0.00 61.98 61.08 2pn5 s VAL 29 Cb 0.02 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 35.00 2pn5 s VAL 29 CO -0.10 0.46 -0.01 -1.81 0.00 0.00 0.00 175.10 173.64 2pn5 s ASP 30 N -0.50 5.09 0.01 3.32 1.01 -1.26 -1.53 116.67 122.81 2pn5 s ASP 30 Ca 0.08 0.07 0.00 0.00 0.71 0.00 0.00 52.55 53.41 2pn5 s ASP 30 Cb -0.08 -1.51 -0.01 0.00 1.01 0.00 0.00 42.92 42.33 2pn5 s ASP 30 CO -0.01 0.33 -0.02 -0.76 0.21 0.00 0.00 175.17 174.92 2pn5 s LEU 31 N -0.58 2.12 -0.14 1.23 1.43 -0.48 -1.38 118.68 120.88 2pn5 s LEU 31 Ca 0.09 -0.26 -0.04 0.00 -1.03 0.00 0.00 54.13 52.89 2pn5 s LEU 31 Cb -0.12 0.02 -0.03 0.00 0.03 0.00 0.00 46.19 46.09 2pn5 s LEU 31 CO 0.02 -0.14 0.01 -0.22 0.23 0.00 0.00 176.35 176.25 2pn5 s LEU 32 N -0.76 3.55 -0.55 1.79 2.96 0.49 -1.42 118.68 124.74 2pn5 s LEU 32 Ca -0.08 0.03 0.04 0.00 -0.22 0.00 0.00 54.13 53.90 2pn5 s LEU 32 Cb -0.05 -1.86 0.14 0.00 0.50 0.00 0.00 46.19 44.92 2pn5 s LEU 32 CO -0.00 0.23 0.32 -0.76 -1.32 0.00 0.00 176.35 174.82 2pn5 s LEU 33 N -0.01 3.96 0.01 -0.68 1.43 -1.08 -1.18 118.68 121.13 2pn5 s LEU 33 Ca 0.03 -3.16 -0.29 0.00 -1.03 0.00 0.00 54.13 49.68 2pn5 s LEU 33 Cb -0.13 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 2pn5 s LEU 33 CO 0.02 -0.20 0.94 -0.54 0.23 0.00 0.00 176.35 176.80 2pn5 s LYS 34 N -0.45 4.56 -0.27 1.70 1.02 -0.32 -2.87 119.74 123.10 2pn5 s LYS 34 Ca 0.20 1.35 0.00 0.00 0.02 0.00 0.00 55.97 57.54 2pn5 s LYS 34 Cb -0.18 -3.45 0.08 0.00 -0.52 0.00 0.00 37.83 33.76 2pn5 s LYS 34 CO -0.05 0.00 0.03 -1.17 -0.92 0.00 0.00 175.35 173.24 2pn5 s LEU 35 N 0.85 2.59 0.00 3.17 0.20 -0.36 0.74 118.68 125.86 2pn5 s LEU 35 Ca 0.49 -1.45 0.02 0.00 0.69 0.00 0.00 54.13 53.89 2pn5 s LEU 35 Cb -0.21 -1.05 -0.01 0.00 -0.43 0.00 0.00 46.19 44.50 2pn5 s LEU 35 CO 0.27 -0.34 0.08 -0.62 -0.29 0.00 0.00 176.35 175.45 2pn5 n GLU 36 N 4.73 0.80 0.00 1.98 1.02 -0.66 -2.63 120.64 125.87 2pn5 n GLU 36 Ca -0.05 -2.05 0.00 0.00 -0.02 0.00 0.00 57.16 55.03 2pn5 n GLU 36 Cb 0.43 1.04 0.00 0.00 -0.02 0.00 0.00 31.44 32.90 2pn5 n GLU 36 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 2pn5 n LEU 43 N 0.00 0.00 -3.52 -4.62 4.77 -1.21 -3.06 117.00 109.35 2pn5 n LEU 43 Ca -0.05 0.00 -0.40 0.00 -0.03 0.00 0.00 56.01 55.53 2pn5 n LEU 43 Cb 0.36 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.45 2pn5 n LEU 43 CO 0.19 0.00 2.44 -1.54 -1.33 0.00 0.00 177.39 177.15 2pn5 n SER 44 N 0.00 7.65 -0.09 -1.43 3.41 -1.26 -4.47 113.62 117.42 2pn5 n SER 44 Ca 0.00 -3.08 -0.11 0.00 -0.26 0.00 0.00 58.87 55.42 2pn5 n SER 44 Cb 0.00 -1.40 -0.12 0.00 -0.26 0.00 0.00 64.21 62.43 2pn5 n SER 44 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2pn5 n VAL 45 N 2.17 1.18 -4.43 -3.33 0.31 -1.26 -4.94 118.33 108.03 2pn5 n VAL 45 Ca 0.61 -0.63 -0.35 0.00 -0.01 0.00 0.00 64.34 63.96 2pn5 n VAL 45 Cb 0.26 -0.80 -0.10 0.00 -0.91 0.00 0.00 33.84 32.30 2pn5 n VAL 45 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2pn5 s LEU 46 N -5.59 3.49 -0.44 7.52 1.43 -1.26 -5.05 118.68 118.78 2pn5 s LEU 46 Ca -0.15 0.10 0.08 0.00 -1.03 0.00 0.00 54.13 53.13 2pn5 s LEU 46 Cb 0.06 -1.79 0.29 0.00 0.03 0.00 0.00 46.19 44.77 2pn5 s LEU 46 CO 0.62 0.37 0.84 -3.20 0.23 0.00 0.00 176.35 175.22 2pn5 n ASN 47 N 2.14 -1.32 -4.45 2.29 5.15 -1.25 -4.51 115.26 113.31 2pn5 n ASN 47 Ca -0.18 -3.23 -0.34 0.00 -0.60 0.00 0.00 54.58 50.23 2pn5 n ASN 47 Cb 0.53 0.83 -0.13 0.00 -0.53 0.00 0.00 39.78 40.49 2pn5 n ASN 47 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 2pn5 s VAL 48 N -0.47 3.70 0.05 3.44 1.01 -1.08 -5.01 120.40 122.04 2pn5 s VAL 48 Ca 0.31 -0.42 0.05 0.00 0.00 0.00 0.00 61.98 61.92 2pn5 s VAL 48 Cb 0.26 -2.62 -0.02 0.00 0.00 0.00 0.00 36.38 33.99 2pn5 s VAL 48 CO -0.13 0.48 -0.14 -0.89 0.00 0.00 0.00 175.10 174.42 2pn5 s THR 49 N 0.53 1.14 -0.07 3.92 2.01 -1.26 -1.23 115.64 120.69 2pn5 s THR 49 Ca -0.04 -1.12 -0.03 0.00 0.31 0.00 0.00 61.69 60.81 2pn5 s THR 49 Cb -0.15 -1.06 0.04 0.00 0.01 0.00 0.00 72.50 71.35 2pn5 s THR 49 CO 0.03 -0.07 0.13 -0.54 -0.69 0.00 0.00 174.62 173.47 2pn5 s LYS 50 N -1.37 -0.00 -0.49 4.92 1.02 -1.14 -5.00 119.74 117.69 2pn5 s LYS 50 Ca 0.01 0.49 -0.29 0.00 0.02 0.00 0.00 55.97 56.20 2pn5 s LYS 50 Cb -0.09 -0.38 0.02 0.00 -0.52 0.00 0.00 37.83 36.86 2pn5 s LYS 50 CO 0.02 -0.32 1.29 0.00 -0.92 0.00 0.00 175.35 175.41 2pn5 s MET 51 N 2.25 3.56 0.04 1.68 0.23 -1.26 -2.65 119.30 123.16 2pn5 s MET 51 Ca 0.04 0.62 0.08 0.00 -1.03 0.00 0.00 55.69 55.39 2pn5 s MET 51 Cb -0.12 -4.00 -0.03 0.00 -1.53 0.00 0.00 34.83 29.15 2pn5 s MET 51 CO -0.05 -1.59 -0.22 0.08 -2.03 0.00 0.00 175.02 171.20 2pn5 s VAL 52 N 5.16 1.80 -0.12 5.16 1.01 -0.51 -5.01 120.40 127.88 2pn5 s VAL 52 Ca 0.52 -1.26 -0.00 0.00 0.00 0.00 0.00 61.98 61.25 2pn5 s VAL 52 Cb -0.10 -1.56 -0.02 0.00 0.00 0.00 0.00 36.38 34.71 2pn5 s VAL 52 CO 0.30 0.25 -0.12 -0.62 0.00 0.00 0.00 175.10 174.91 2pn5 s ASP 53 N -1.20 4.12 -0.10 3.32 2.15 -1.26 -1.38 116.67 122.32 2pn5 s ASP 53 Ca 0.09 -0.28 -0.01 0.00 0.43 0.00 0.00 52.55 52.78 2pn5 s ASP 53 Cb -0.09 -1.54 0.03 0.00 -0.30 0.00 0.00 42.92 41.02 2pn5 s ASP 53 CO 0.02 0.19 -0.05 -0.69 -0.17 0.00 0.00 175.17 174.47 2pn5 s VAL 54 N 0.20 0.80 0.57 1.11 1.01 -0.58 -4.91 120.40 118.60 2pn5 s VAL 54 Ca -0.07 -0.16 -0.12 0.00 0.00 0.00 0.00 61.98 61.63 2pn5 s VAL 54 Cb -0.15 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.31 2pn5 s VAL 54 CO 0.05 0.33 0.99 -0.13 0.00 0.00 0.00 175.10 176.34 2pn5 s ARG 55 N 1.74 3.70 0.58 2.72 0.52 -1.26 -0.44 118.95 126.50 2pn5 s ARG 55 Ca 0.04 0.76 -0.19 0.00 -0.52 0.00 0.00 55.73 55.82 2pn5 s ARG 55 Cb -0.13 -2.13 -0.04 0.00 0.52 0.00 0.00 34.95 33.17 2pn5 s ARG 55 CO -0.07 -0.44 1.20 -0.98 0.02 0.00 0.00 175.30 175.04 2pn5 s ARG 56 N -4.77 3.07 -1.44 3.54 1.70 -0.71 -3.16 118.95 117.17 2pn5 s ARG 56 Ca 0.55 1.82 -0.10 0.00 -0.47 0.00 0.00 55.73 57.54 2pn5 s ARG 56 Cb -0.11 -1.98 0.06 0.00 -0.57 0.00 0.00 34.95 32.36 2pn5 s ARG 56 CO 0.46 -1.13 0.71 0.09 -1.08 0.00 0.00 175.30 174.35 2pn5 n ASN 57 N -1.47 -4.78 -3.96 -2.89 4.13 -0.46 -4.97 115.26 100.86 2pn5 n ASN 57 Ca 0.13 -0.50 -0.10 0.00 1.68 0.00 0.00 54.58 55.79 2pn5 n ASN 57 Cb 0.49 -3.87 -0.06 0.00 -1.54 0.00 0.00 39.78 34.80 2pn5 n ASN 57 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 2pn5 s MET 58 N -6.15 1.27 0.02 3.52 -1.94 -1.17 -4.99 119.30 109.86 2pn5 s MET 58 Ca 0.47 -1.19 0.06 0.00 -1.71 0.00 0.00 55.69 53.32 2pn5 s MET 58 Cb -0.24 0.41 -0.02 0.00 2.01 0.00 0.00 34.83 36.99 2pn5 s MET 58 CO 0.58 -0.49 -0.17 0.54 -0.01 0.00 0.00 175.02 175.47 2pn5 s ASN 59 N -2.98 2.07 0.08 3.03 6.03 -1.26 -1.16 114.94 120.75 2pn5 s ASN 59 Ca 0.19 -0.43 -0.01 0.00 -1.03 0.00 0.00 52.86 51.58 2pn5 s ASN 59 Cb 0.02 -0.18 -0.04 0.00 -3.03 0.00 0.00 41.25 38.02 2pn5 s ASN 59 CO 0.03 0.14 0.25 -0.13 -2.03 0.00 0.00 177.10 175.36 2pn5 s ARG 60 N -0.91 3.48 -0.17 3.55 0.52 -0.70 -4.94 118.95 119.78 2pn5 s ARG 60 Ca 0.05 -0.35 0.01 0.00 -0.52 0.00 0.00 55.73 54.92 2pn5 s ARG 60 Cb -0.08 -2.99 0.01 0.00 0.52 0.00 0.00 34.95 32.41 2pn5 s ARG 60 CO 0.01 0.58 -0.18 -1.64 0.02 0.00 0.00 175.30 174.09 2pn5 s MET 61 N -2.53 3.07 -0.22 3.54 -1.94 -1.26 -2.02 119.30 117.93 2pn5 s MET 61 Ca 0.36 -0.80 -0.03 0.00 -1.71 0.00 0.00 55.69 53.51 2pn5 s MET 61 Cb -0.13 -2.60 0.00 0.00 2.01 0.00 0.00 34.83 34.11 2pn5 s MET 61 CO 0.27 -0.14 -0.05 0.42 -0.01 0.00 0.00 175.02 175.51 2pn5 s ILE 62 N 1.16 3.22 0.06 2.53 1.09 -0.16 -4.98 121.20 124.10 2pn5 s ILE 62 Ca 0.01 -0.62 -0.13 0.00 -1.10 0.00 0.00 60.65 58.81 2pn5 s ILE 62 Cb -0.14 -2.49 -0.06 0.00 -1.06 0.00 0.00 42.46 38.71 2pn5 s ILE 62 CO -0.08 0.38 0.44 0.20 -0.10 0.00 0.00 174.94 175.78 2pn5 s ASN 63 N 1.44 6.77 -0.10 3.58 0.01 -1.26 -1.30 114.94 124.08 2pn5 s ASN 63 Ca 0.05 0.95 0.01 0.00 -0.71 0.00 0.00 52.86 53.15 2pn5 s ASN 63 Cb -0.15 -2.24 0.02 0.00 0.41 0.00 0.00 41.25 39.29 2pn5 s ASN 63 CO -0.04 0.23 -0.12 -0.36 -1.51 0.00 0.00 177.10 175.30 2pn5 s PHE 64 N -1.25 1.68 -0.41 2.20 0.40 0.95 -4.96 117.98 116.59 2pn5 s PHE 64 Ca 0.29 -0.77 -0.23 0.00 -0.60 0.00 0.00 56.93 55.63 2pn5 s PHE 64 Cb -0.16 -1.27 0.02 0.00 0.51 0.00 0.00 43.02 42.12 2pn5 s PHE 64 CO 0.16 -0.44 0.77 -0.80 0.70 0.00 0.00 175.22 175.61 2pn5 s ASN 65 N 1.14 6.46 -0.07 1.36 0.01 -1.26 -0.16 114.94 122.42 2pn5 s ASN 65 Ca -0.05 0.08 -0.30 0.00 -0.71 0.00 0.00 52.86 51.89 2pn5 s ASN 65 Cb -0.14 -2.38 -0.02 0.00 0.41 0.00 0.00 41.25 39.11 2pn5 s ASN 65 CO -0.03 -0.81 1.04 -0.04 -1.51 0.00 0.00 177.10 175.75 2pn5 s MET 66 N 3.16 4.44 0.37 -0.60 -1.94 -1.25 -5.01 119.30 118.45 2pn5 s MET 66 Ca 0.30 1.46 -0.27 0.00 -1.71 0.00 0.00 55.69 55.47 2pn5 s MET 66 Cb -0.13 -3.52 -0.09 0.00 2.01 0.00 0.00 34.83 33.10 2pn5 s MET 66 CO 0.20 -0.29 1.19 -1.25 -0.01 0.00 0.00 175.02 174.86 2pn5 s PRO 67 N 1.82 4.21 0.23 2.03 0.04 -1.25 -4.15 135.00 137.94 2pn5 s PRO 67 Ca 0.51 1.93 -0.06 0.00 0.04 0.00 0.00 61.00 63.41 2pn5 s PRO 67 Cb -0.20 -2.85 0.33 0.00 0.04 0.00 0.00 34.50 31.82 2pn5 s PRO 67 CO 0.21 -0.21 1.80 1.49 0.04 0.00 0.00 177.00 180.34 2pn5 h GLU 68 N 2.99 0.71 -3.41 4.56 4.81 -1.94 -3.24 114.58 119.07 2pn5 h GLU 68 Ca -0.48 -0.04 -0.72 0.00 -0.13 0.00 0.00 59.36 57.99 2pn5 h GLU 68 Cb 1.23 -0.16 -0.06 0.00 0.63 0.00 0.00 28.75 30.39 2pn5 h GLU 68 CO 0.64 0.47 2.93 -0.40 -0.73 0.00 0.00 179.01 181.91 2pn5 n ASP 69 N -4.78 6.03 -4.48 1.04 5.75 -1.26 -4.82 116.55 114.03 2pn5 n ASP 69 Ca 0.11 -2.89 -0.38 0.00 -0.01 0.00 0.00 54.79 51.63 2pn5 n ASP 69 Cb 0.24 -1.54 -0.12 0.00 -1.03 0.00 0.00 41.12 38.67 2pn5 n ASP 69 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2pn5 s LEU 70 N 0.43 3.81 0.56 -2.12 1.43 -1.22 -5.10 118.68 116.47 2pn5 s LEU 70 Ca 0.52 -0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.38 2pn5 s LEU 70 Cb 0.15 -2.00 0.05 0.00 0.03 0.00 0.00 46.19 44.42 2pn5 s LEU 70 CO -0.06 -0.09 0.78 0.28 0.23 0.00 0.00 176.35 177.48 2pn5 s THR 71 N 1.65 2.58 0.62 5.49 -1.32 -1.26 -4.93 115.64 118.48 2pn5 s THR 71 Ca 0.06 -0.75 -0.19 0.00 -1.21 0.00 0.00 61.69 59.61 2pn5 s THR 71 Cb -0.16 -2.83 -0.02 0.00 -1.51 0.00 0.00 72.50 67.97 2pn5 s THR 71 CO 0.06 0.00 1.29 0.00 -2.21 0.00 0.00 174.62 173.76 2pn5 s ALA 72 N -2.74 2.47 0.00 11.08 0.00 -1.26 -4.96 121.76 126.34 2pn5 s ALA 72 Ca 0.59 1.20 0.00 0.00 0.00 0.00 0.00 51.96 53.74 2pn5 s ALA 72 Cb -0.09 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2pn5 s ALA 72 CO 0.38 -1.48 0.00 0.41 0.00 0.00 0.00 175.76 175.07 2pn5 n GLY 73 N 0.80 -0.64 3.28 0.00 0.00 -1.26 -4.89 105.19 102.48 2pn5 n GLY 73 Ca 0.15 -0.56 -0.35 0.00 0.00 0.00 0.00 46.02 45.26 2pn5 n GLY 73 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2pn5 s ASN 74 N -4.00 4.17 0.04 1.61 0.01 -1.26 -4.80 114.94 110.71 2pn5 s ASN 74 Ca 0.00 -0.46 0.09 0.00 -0.71 0.00 0.00 52.86 51.78 2pn5 s ASN 74 Cb 0.00 -1.70 -0.03 0.00 0.41 0.00 0.00 41.25 39.93 2pn5 s ASN 74 CO 0.00 -0.03 -0.26 -0.31 -1.51 0.00 0.00 177.10 174.99 2pn5 s TYR 75 N 1.45 2.29 0.05 2.20 2.02 -1.26 -3.36 117.35 120.75 2pn5 s TYR 75 Ca 0.05 -0.41 -0.03 0.00 -0.37 0.00 0.00 57.07 56.31 2pn5 s TYR 75 Cb -0.14 -1.38 -0.03 0.00 -0.40 0.00 0.00 41.96 40.00 2pn5 s TYR 75 CO -0.04 0.10 0.02 0.21 -1.57 0.00 0.00 175.55 174.27 2pn5 s LYS 76 N -1.15 0.64 -0.03 -0.62 2.20 -1.17 -1.85 119.74 117.75 2pn5 s LYS 76 Ca 0.11 -1.11 0.01 0.00 -0.36 0.00 0.00 55.97 54.62 2pn5 s LYS 76 Cb -0.10 0.23 0.02 0.00 -1.51 0.00 0.00 37.83 36.47 2pn5 s LYS 76 CO 0.02 -0.14 -0.02 -1.50 -0.36 0.00 0.00 175.35 173.35 2pn5 s ILE 77 N -3.69 0.27 -0.08 5.43 2.07 -0.56 -1.66 121.20 122.98 2pn5 s ILE 77 Ca 0.05 -0.01 0.03 0.00 -1.41 0.00 0.00 60.65 59.31 2pn5 s ILE 77 Cb 0.06 -0.32 0.00 0.00 0.13 0.00 0.00 42.46 42.33 2pn5 s ILE 77 CO -0.09 0.14 -0.19 -0.89 -1.91 0.00 0.00 174.94 172.01 2pn5 s THR 78 N 0.72 1.62 -0.27 4.00 2.01 0.23 -1.28 115.64 122.67 2pn5 s THR 78 Ca -0.08 -0.77 0.02 0.00 0.31 0.00 0.00 61.69 61.18 2pn5 s THR 78 Cb -0.11 -1.42 0.07 0.00 0.01 0.00 0.00 72.50 71.05 2pn5 s THR 78 CO -0.01 0.46 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.69 2pn5 s ILE 79 N 0.43 1.94 -0.15 1.82 1.01 0.33 -1.18 121.20 125.41 2pn5 s ILE 79 Ca -0.15 -1.62 -0.01 0.00 0.00 0.00 0.00 60.65 58.87 2pn5 s ILE 79 Cb -0.16 -2.17 -0.02 0.00 0.01 0.00 0.00 42.46 40.12 2pn5 s ILE 79 CO 0.06 -0.17 -0.10 -1.81 0.00 0.00 0.00 174.94 172.92 2pn5 s ASP 80 N 1.18 4.18 -0.42 3.58 1.01 -0.32 -1.82 116.67 124.05 2pn5 s ASP 80 Ca -0.04 -0.30 -0.29 0.00 0.71 0.00 0.00 52.55 52.63 2pn5 s ASP 80 Cb -0.19 -1.66 0.02 0.00 1.01 0.00 0.00 42.92 42.10 2pn5 s ASP 80 CO -0.07 0.14 1.29 -0.83 0.21 0.00 0.00 175.17 175.91 2pn5 s GLY 81 N 0.50 1.21 0.40 0.21 0.00 0.55 -0.38 107.32 109.81 2pn5 s GLY 81 Ca -0.08 -0.25 -0.05 0.00 0.00 0.00 0.00 44.72 44.34 2pn5 s GLY 81 CO 0.04 2.60 0.69 1.20 0.00 0.00 0.00 173.10 177.63 2pn5 s GLN 82 N 4.65 3.59 3.38 2.90 -0.21 -0.48 -4.36 119.66 129.13 2pn5 s GLN 82 Ca 0.55 0.11 0.00 0.00 0.02 0.00 0.00 55.36 56.05 2pn5 s GLN 82 Cb -0.11 -2.49 0.00 0.00 1.00 0.00 0.00 33.01 31.41 2pn5 s GLN 82 CO 0.31 -0.02 0.00 0.54 -2.12 0.00 0.00 175.29 173.99 2pn5 n ARG 83 N -1.72 0.00 -1.04 2.91 1.74 -1.26 -4.20 116.66 113.09 2pn5 n ARG 83 Ca -0.01 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.80 2pn5 n ARG 83 Cb 0.55 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.94 2pn5 n ARG 83 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pn5 n GLY 84 N 0.00 3.58 3.15 -0.13 0.00 -1.26 -4.63 105.19 105.89 2pn5 n GLY 84 Ca 0.00 -1.21 0.04 0.00 0.00 0.00 0.00 46.02 44.85 2pn5 n GLY 84 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2pn5 s PHE 85 N 2.32 -1.66 -0.01 1.61 5.36 -1.26 -5.13 117.98 119.21 2pn5 s PHE 85 Ca 0.58 1.11 -0.30 0.00 -0.96 0.00 0.00 56.93 57.36 2pn5 s PHE 85 Cb 0.18 0.34 -0.03 0.00 -0.34 0.00 0.00 43.02 43.16 2pn5 s PHE 85 CO -0.04 -0.96 1.04 -1.12 -1.46 0.00 0.00 175.22 172.69 2pn5 s SER 86 N 2.85 7.27 -0.30 6.13 0.01 -1.26 -4.06 113.70 124.34 2pn5 s SER 86 Ca 0.13 1.72 -0.12 0.00 1.31 0.00 0.00 55.95 58.99 2pn5 s SER 86 Cb -0.10 -2.57 0.16 0.00 0.21 0.00 0.00 66.02 63.72 2pn5 s SER 86 CO -0.24 -0.35 0.88 0.12 0.41 0.00 0.00 173.24 174.06 2pn5 s PHE 87 N 1.24 -0.91 -0.23 2.43 5.36 -1.26 -4.89 117.98 119.73 2pn5 s PHE 87 Ca 0.53 1.40 -0.02 0.00 -0.96 0.00 0.00 56.93 57.88 2pn5 s PHE 87 Cb -0.23 0.48 0.07 0.00 -0.34 0.00 0.00 43.02 43.00 2pn5 s PHE 87 CO 0.26 -0.46 0.04 -1.58 -1.46 0.00 0.00 175.22 172.02 2pn5 s HIS 88 N 2.66 1.34 0.08 10.12 5.65 -1.26 -0.33 115.29 133.55 2pn5 s HIS 88 Ca -0.00 -1.17 0.07 0.00 0.25 0.00 0.00 55.06 54.21 2pn5 s HIS 88 Cb -0.09 -1.24 -0.03 0.00 -1.18 0.00 0.00 32.58 30.04 2pn5 s HIS 88 CO -0.17 -0.70 -0.18 0.15 -0.65 0.00 0.00 174.74 173.20 2pn5 s LYS 89 N 1.75 1.02 -0.06 2.88 3.01 -0.75 -5.02 119.74 122.56 2pn5 s LYS 89 Ca 0.01 -1.01 -0.08 0.00 -1.01 0.00 0.00 55.97 53.87 2pn5 s LYS 89 Cb -0.17 -1.14 0.02 0.00 -1.01 0.00 0.00 37.83 35.52 2pn5 s LYS 89 CO -0.12 0.27 0.21 -2.00 0.51 0.00 0.00 175.35 174.21 2pn5 s GLU 90 N -1.67 0.33 -0.01 1.68 2.12 -1.26 -0.51 118.70 119.37 2pn5 s GLU 90 Ca 0.03 0.12 -0.00 0.00 0.36 0.00 0.00 54.97 55.47 2pn5 s GLU 90 Cb -0.10 0.15 0.01 0.00 0.26 0.00 0.00 34.13 34.46 2pn5 s GLU 90 CO 0.03 -0.06 0.02 0.00 -0.54 0.00 0.00 175.26 174.71 2pn5 s ALA 91 N -0.30 -0.02 0.16 6.30 0.00 -0.41 -4.99 121.76 122.51 2pn5 s ALA 91 Ca -0.04 0.13 -0.30 0.00 0.00 0.00 0.00 51.96 51.75 2pn5 s ALA 91 Cb -0.03 -0.10 -0.07 0.00 0.00 0.00 0.00 23.12 22.92 2pn5 s ALA 91 CO 0.01 -0.04 1.12 -1.21 0.00 0.00 0.00 175.76 175.64 2pn5 s GLU 92 N 0.32 4.57 -0.20 0.00 8.01 -1.26 -1.50 118.70 128.63 2pn5 s GLU 92 Ca -0.03 1.73 0.01 0.00 0.01 0.00 0.00 54.97 56.70 2pn5 s GLU 92 Cb -0.04 -3.28 0.04 0.00 -4.31 0.00 0.00 34.13 26.54 2pn5 s GLU 92 CO -0.01 0.03 -0.12 -0.51 0.01 0.00 0.00 175.26 174.66 2pn5 s LEU 93 N -0.20 2.43 -0.32 1.80 1.43 -0.77 -4.92 118.68 118.12 2pn5 s LEU 93 Ca 0.51 -0.92 -0.22 0.00 -1.03 0.00 0.00 54.13 52.46 2pn5 s LEU 93 Cb -0.30 -1.32 -0.00 0.00 0.03 0.00 0.00 46.19 44.61 2pn5 s LEU 93 CO 0.34 -0.13 0.72 -0.69 0.23 0.00 0.00 176.35 176.82 2pn5 s VAL 94 N 1.34 4.84 0.28 -1.59 1.01 0.37 -4.06 120.40 122.58 2pn5 s VAL 94 Ca -0.01 0.95 -0.29 0.00 0.00 0.00 0.00 61.98 62.63 2pn5 s VAL 94 Cb -0.16 -4.10 -0.10 0.00 0.00 0.00 0.00 36.38 32.02 2pn5 s VAL 94 CO -0.08 -0.26 1.16 -0.47 0.00 0.00 0.00 175.10 175.44 2pn5 s TYR 95 N 2.84 3.44 -0.14 5.22 5.04 -1.26 -1.00 117.35 131.50 2pn5 s TYR 95 Ca 0.29 1.61 0.00 0.00 -2.44 0.00 0.00 57.07 56.53 2pn5 s TYR 95 Cb -0.14 -3.39 -0.01 0.00 0.35 0.00 0.00 41.96 38.77 2pn5 s TYR 95 CO 0.13 -0.91 -0.15 -0.51 -1.34 0.00 0.00 175.55 172.77 2pn5 s LEU 96 N -1.42 2.54 -0.01 6.97 1.43 0.10 -4.85 118.68 123.44 2pn5 s LEU 96 Ca 0.46 -0.41 -0.21 0.00 -1.03 0.00 0.00 54.13 52.93 2pn5 s LEU 96 Cb -0.34 -1.57 -0.23 0.00 0.03 0.00 0.00 46.19 44.08 2pn5 s LEU 96 CO 0.43 0.13 1.08 0.28 0.23 0.00 0.00 176.35 178.50 2pn5 h SER 97 N 6.96 0.42 -2.15 2.29 0.02 -1.97 -3.42 113.55 115.70 2pn5 h SER 97 Ca -0.28 -0.76 -0.51 0.00 -0.84 0.00 0.00 61.79 59.40 2pn5 h SER 97 Cb 1.21 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 63.56 2pn5 h SER 97 CO 0.55 1.12 -0.54 -0.54 -1.14 0.00 0.00 176.83 176.29 2pn5 s LYS 98 N -3.20 2.79 0.00 3.45 -0.14 -1.26 -4.96 119.74 116.42 2pn5 s LYS 98 Ca -0.14 -1.15 0.22 0.00 -1.36 0.00 0.00 55.97 53.54 2pn5 s LYS 98 Cb 0.03 -2.48 0.09 0.00 -1.68 0.00 0.00 37.83 33.79 2pn5 s LYS 98 CO 0.79 0.35 1.14 0.45 -0.76 0.00 0.00 175.35 177.33 2pn5 n SER 99 N -1.15 2.46 -4.58 2.83 2.88 -1.26 -5.00 113.62 109.80 2pn5 n SER 99 Ca -0.07 -1.73 -0.25 0.00 -1.33 0.00 0.00 58.87 55.50 2pn5 n SER 99 Cb 0.58 0.24 -0.09 0.00 -0.75 0.00 0.00 64.21 64.19 2pn5 n SER 99 CO 0.00 0.00 0.00 0.27 -1.23 0.00 0.00 175.04 174.08 2pn5 s ILE 100 N -2.16 2.62 0.08 2.46 -4.36 -1.26 -2.51 121.20 116.08 2pn5 s ILE 100 Ca 0.22 -2.10 0.03 0.00 -0.26 0.00 0.00 60.65 58.55 2pn5 s ILE 100 Cb 0.18 -2.68 -0.03 0.00 1.25 0.00 0.00 42.46 41.18 2pn5 s ILE 100 CO 0.42 -0.26 -0.09 -0.94 0.24 0.00 0.00 174.94 174.31 2pn5 s SER 101 N -3.65 1.26 0.07 4.36 1.04 0.01 -5.00 113.70 111.79 2pn5 s SER 101 Ca 0.33 -0.79 0.06 0.00 0.48 0.00 0.00 55.95 56.03 2pn5 s SER 101 Cb -0.01 0.03 -0.03 0.00 0.10 0.00 0.00 66.02 66.11 2pn5 s SER 101 CO 0.18 -0.29 -0.15 -0.83 0.98 0.00 0.00 173.24 173.13 2pn5 s GLY 102 N -2.35 0.93 0.01 7.32 0.00 -1.26 -1.89 107.32 110.07 2pn5 s GLY 102 Ca 0.03 -1.03 0.01 0.00 0.00 0.00 0.00 44.72 43.73 2pn5 s GLY 102 CO -0.01 -1.05 -0.04 1.08 0.00 0.00 0.00 173.10 173.09 2pn5 s LEU 103 N -1.70 2.10 -0.10 0.66 1.43 0.04 -4.84 118.68 116.27 2pn5 s LEU 103 Ca 0.00 -0.24 0.04 0.00 -1.03 0.00 0.00 54.13 52.90 2pn5 s LEU 103 Cb -0.10 -0.10 0.00 0.00 0.03 0.00 0.00 46.19 46.02 2pn5 s LEU 103 CO 0.03 -0.08 -0.24 -0.63 0.23 0.00 0.00 176.35 175.66 2pn5 s ILE 104 N -0.60 2.02 -0.17 -0.59 1.01 -1.26 -0.05 121.20 121.57 2pn5 s ILE 104 Ca -0.04 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.59 2pn5 s ILE 104 Cb -0.05 -1.75 -0.01 0.00 0.01 0.00 0.00 42.46 40.66 2pn5 s ILE 104 CO -0.00 0.55 -0.10 -1.58 0.00 0.00 0.00 174.94 173.81 2pn5 s GLN 105 N 0.35 3.35 -0.10 2.79 0.74 0.21 -4.92 119.66 122.09 2pn5 s GLN 105 Ca -0.19 -0.67 0.02 0.00 0.05 0.00 0.00 55.36 54.58 2pn5 s GLN 105 Cb -0.18 -2.78 -0.01 0.00 1.10 0.00 0.00 33.01 31.14 2pn5 s GLN 105 CO 0.09 0.02 -0.18 0.08 -0.55 0.00 0.00 175.29 174.74 2pn5 s VAL 106 N 0.87 2.58 0.57 1.34 1.01 -1.26 -0.85 120.40 124.65 2pn5 s VAL 106 Ca -0.03 -0.84 0.42 0.00 0.00 0.00 0.00 61.98 61.53 2pn5 s VAL 106 Cb -0.15 -2.03 0.43 0.00 0.00 0.00 0.00 36.38 34.63 2pn5 s VAL 106 CO 0.00 0.55 2.30 -2.24 0.00 0.00 0.00 175.10 175.71 2pn5 h ASP 107 N 6.49 0.00 -5.07 3.32 3.04 -1.72 -3.43 116.42 119.05 2pn5 h ASP 107 Ca -0.26 0.00 -0.12 0.00 -3.24 0.00 0.00 57.03 53.41 2pn5 h ASP 107 Cb 1.21 0.00 -0.18 0.00 -1.04 0.00 0.00 39.33 39.33 2pn5 h ASP 107 CO 0.51 0.00 -0.45 -0.54 -2.04 0.00 0.00 179.24 176.72 2pn5 s LYS 108 N -4.09 0.64 0.04 4.15 1.02 -1.26 -4.93 119.74 115.31 2pn5 s LYS 108 Ca -0.04 -0.67 0.07 0.00 0.02 0.00 0.00 55.97 55.35 2pn5 s LYS 108 Cb 0.12 0.26 -0.23 0.00 -0.52 0.00 0.00 37.83 37.46 2pn5 s LYS 108 CO 0.44 -0.17 0.99 -1.00 -0.92 0.00 0.00 175.35 174.69 2pn5 h PRO 109 N 3.58 0.05 -5.87 -1.68 0.14 -1.89 -3.47 132.00 122.87 2pn5 h PRO 109 Ca -0.32 -0.09 -0.62 0.00 0.14 0.00 0.00 66.00 65.10 2pn5 h PRO 109 Cb 1.19 0.03 -0.31 0.00 0.14 0.00 0.00 31.00 32.06 2pn5 h PRO 109 CO 0.49 0.86 -0.86 0.08 0.14 0.00 0.00 178.00 178.70 2pn5 s VAL 110 N -2.65 1.73 0.23 1.56 1.01 -1.26 -1.62 120.40 119.40 2pn5 s VAL 110 Ca -0.03 -0.91 0.11 0.00 0.00 0.00 0.00 61.98 61.16 2pn5 s VAL 110 Cb 0.09 -1.45 -0.05 0.00 0.00 0.00 0.00 36.38 34.97 2pn5 s VAL 110 CO 0.83 0.49 -0.21 -0.36 0.00 0.00 0.00 175.10 175.85 2pn5 s PHE 111 N -0.26 2.22 0.26 5.22 0.08 0.25 -4.98 117.98 120.77 2pn5 s PHE 111 Ca 0.02 -0.37 0.09 0.00 0.12 0.00 0.00 56.93 56.79 2pn5 s PHE 111 Cb -0.11 -1.03 -0.04 0.00 -0.57 0.00 0.00 43.02 41.27 2pn5 s PHE 111 CO 0.01 0.58 0.01 -1.59 -0.10 0.00 0.00 175.22 174.13 2pn5 s LYS 112 N -3.14 2.33 0.25 0.44 -2.85 -1.26 -1.10 119.74 114.41 2pn5 s LYS 112 Ca 0.25 -1.39 0.00 0.00 -1.00 0.00 0.00 55.97 53.84 2pn5 s LYS 112 Cb -0.06 -2.19 0.59 0.00 -2.06 0.00 0.00 37.83 34.11 2pn5 s LYS 112 CO 0.12 0.37 1.30 -2.30 0.10 0.00 0.00 175.35 174.93 2pn5 n PRO 113 N -0.88 -0.07 -0.24 1.78 -0.02 -1.26 -1.45 135.00 132.86 2pn5 n PRO 113 Ca -0.07 1.25 0.01 0.00 -2.02 0.00 0.00 63.50 62.67 2pn5 n PRO 113 Cb 0.59 -1.96 0.24 0.00 -0.02 0.00 0.00 33.50 32.35 2pn5 n PRO 113 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 2pn5 h GLY 114 N 0.00 1.11 -1.50 -1.23 0.00 -1.81 -3.33 103.07 96.31 2pn5 h GLY 114 Ca 0.49 -0.40 -0.48 0.00 0.00 0.00 0.00 47.33 46.94 2pn5 h GLY 114 CO -0.79 0.37 0.06 0.51 0.00 0.00 0.00 176.54 176.69 2pn5 s ASP 115 N -6.28 4.48 -0.19 0.19 1.47 -0.53 -4.55 116.67 111.26 2pn5 s ASP 115 Ca -0.11 -0.53 -0.07 0.00 1.18 0.00 0.00 52.55 53.02 2pn5 s ASP 115 Cb 0.18 0.15 -0.03 0.00 -0.34 0.00 0.00 42.92 42.88 2pn5 s ASP 115 CO 0.79 -1.78 0.04 -0.89 0.68 0.00 0.00 175.17 174.01 2pn5 s THR 116 N -3.04 4.47 -0.24 2.11 2.01 -1.26 -1.40 115.64 118.29 2pn5 s THR 116 Ca 0.66 -0.14 -0.24 0.00 0.31 0.00 0.00 61.69 62.27 2pn5 s THR 116 Cb -0.05 -3.02 -0.01 0.00 0.01 0.00 0.00 72.50 69.43 2pn5 s THR 116 CO 0.43 0.44 0.81 -0.69 -0.69 0.00 0.00 174.62 174.93 2pn5 s VAL 117 N 0.65 4.85 -0.14 3.82 1.01 -0.05 -4.93 120.40 125.61 2pn5 s VAL 117 Ca 0.02 1.54 -0.05 0.00 0.00 0.00 0.00 61.98 63.49 2pn5 s VAL 117 Cb -0.13 -4.10 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 2pn5 s VAL 117 CO 0.02 -0.06 0.04 0.20 0.00 0.00 0.00 175.10 175.30 2pn5 s ASN 118 N 1.34 5.49 0.05 3.32 0.01 -1.26 -0.58 114.94 123.30 2pn5 s ASN 118 Ca 0.34 0.13 -0.04 0.00 -0.71 0.00 0.00 52.86 52.58 2pn5 s ASN 118 Cb -0.15 -1.79 -0.02 0.00 0.41 0.00 0.00 41.25 39.70 2pn5 s ASN 118 CO 0.08 0.27 0.06 0.72 -1.51 0.00 0.00 177.10 176.72 2pn5 s PHE 119 N -0.24 0.29 -0.01 2.20 -0.71 -0.57 -1.63 117.98 117.31 2pn5 s PHE 119 Ca 0.07 -0.68 0.04 0.00 -1.04 0.00 0.00 56.93 55.32 2pn5 s PHE 119 Cb -0.12 -0.21 -0.01 0.00 -1.21 0.00 0.00 43.02 41.47 2pn5 s PHE 119 CO 0.02 -0.38 -0.12 1.03 -1.34 0.00 0.00 175.22 174.43 2pn5 s ARG 120 N -3.04 0.96 -0.24 1.99 0.52 -0.03 -1.98 118.95 117.12 2pn5 s ARG 120 Ca -0.01 -0.44 -0.02 0.00 -0.52 0.00 0.00 55.73 54.73 2pn5 s ARG 120 Cb 0.01 -0.93 0.02 0.00 0.52 0.00 0.00 34.95 34.57 2pn5 s ARG 120 CO -0.07 0.25 -0.05 0.08 0.02 0.00 0.00 175.30 175.53 2pn5 s VAL 121 N -0.31 3.05 -0.24 3.52 1.01 0.59 -0.62 120.40 127.40 2pn5 s VAL 121 Ca 0.04 -0.86 -0.11 0.00 0.00 0.00 0.00 61.98 61.05 2pn5 s VAL 121 Cb -0.05 -2.49 -0.05 0.00 0.00 0.00 0.00 36.38 33.79 2pn5 s VAL 121 CO -0.00 0.27 0.20 -0.63 0.00 0.00 0.00 175.10 174.93 2pn5 s ILE 122 N 1.38 5.33 -0.23 2.22 -1.09 0.93 -1.35 121.20 128.39 2pn5 s ILE 122 Ca 0.02 0.26 0.02 0.00 -2.23 0.00 0.00 60.65 58.72 2pn5 s ILE 122 Cb -0.16 -3.54 0.05 0.00 -1.58 0.00 0.00 42.46 37.23 2pn5 s ILE 122 CO -0.04 0.32 -0.10 -0.69 -1.23 0.00 0.00 174.94 173.20 2pn5 s VAL 123 N 1.16 1.83 0.01 2.92 1.01 0.18 -0.78 120.40 126.73 2pn5 s VAL 123 Ca 0.09 -1.26 0.07 0.00 0.00 0.00 0.00 61.98 60.88 2pn5 s VAL 123 Cb -0.14 -1.94 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 2pn5 s VAL 123 CO 0.05 0.07 -0.20 -0.76 0.00 0.00 0.00 175.10 174.27 2pn5 s LEU 124 N 1.29 2.10 0.00 3.92 1.43 -0.79 -4.25 118.68 122.37 2pn5 s LEU 124 Ca -0.04 -0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 52.62 2pn5 s LEU 124 Cb -0.18 -0.99 0.01 0.00 0.03 0.00 0.00 46.19 45.06 2pn5 s LEU 124 CO -0.07 0.20 0.04 -0.90 0.23 0.00 0.00 176.35 175.85 2pn5 n ASP 125 N 2.26 0.01 0.22 2.29 5.68 0.30 -0.81 116.55 126.50 2pn5 n ASP 125 Ca -0.16 -1.02 0.14 0.00 -0.50 0.00 0.00 54.79 53.25 2pn5 n ASP 125 Cb 0.53 -0.03 0.77 0.00 -1.14 0.00 0.00 41.12 41.25 2pn5 n ASP 125 CO 0.00 0.00 0.00 0.71 -1.33 0.00 0.00 177.20 176.58 2pn5 h THR 126 N -0.94 0.70 -0.10 2.12 1.35 -1.82 0.55 112.91 114.77 2pn5 h THR 126 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.85 2pn5 h THR 126 Cb 0.04 0.91 0.00 0.00 -1.73 0.00 0.00 68.15 67.37 2pn5 h THR 126 CO 0.01 0.00 0.00 1.21 -0.25 0.00 0.00 175.52 176.49 2pn5 n GLU 127 N -4.14 1.53 -3.59 4.72 2.13 -1.26 -4.86 120.64 115.17 2pn5 n GLU 127 Ca 0.00 -0.79 -0.22 0.00 0.66 0.00 0.00 57.16 56.81 2pn5 n GLU 127 Cb 0.23 -1.39 0.07 0.00 0.27 0.00 0.00 31.44 30.63 2pn5 n GLU 127 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 2pn5 n LEU 128 N 0.00 -3.48 -4.29 4.31 4.77 0.18 -4.81 117.00 113.69 2pn5 n LEU 128 Ca 0.16 -0.62 -0.16 0.00 -0.03 0.00 0.00 56.01 55.37 2pn5 n LEU 128 Cb 0.27 -2.98 -0.10 0.00 -2.33 0.00 0.00 43.42 38.27 2pn5 n LEU 128 CO 0.13 0.53 -0.28 -1.59 -1.33 0.00 0.00 177.39 174.85 2pn5 s LYS 129 N -6.03 1.32 0.21 3.23 -2.85 -1.26 -0.35 119.74 114.01 2pn5 s LYS 129 Ca 0.37 -1.69 -0.31 0.00 -1.00 0.00 0.00 55.97 53.33 2pn5 s LYS 129 Cb -0.17 -0.26 -0.11 0.00 -2.06 0.00 0.00 37.83 35.23 2pn5 s LYS 129 CO 0.75 -0.25 1.65 -2.14 0.10 0.00 0.00 175.35 175.46 2pn5 s PRO 130 N -4.00 4.15 0.26 1.78 0.02 -1.26 -0.54 135.00 135.42 2pn5 s PRO 130 Ca 0.34 2.52 -0.30 0.00 0.02 0.00 0.00 61.00 63.58 2pn5 s PRO 130 Cb 0.07 -3.09 -0.10 0.00 0.02 0.00 0.00 34.50 31.40 2pn5 s PRO 130 CO 0.11 -0.68 1.47 -2.14 -0.33 0.00 0.00 177.00 175.43 2pn5 s PRO 131 N 0.81 4.24 0.29 5.54 0.02 -1.26 -4.80 135.00 139.84 2pn5 s PRO 131 Ca 0.71 2.35 0.07 0.00 0.02 0.00 0.00 61.00 64.15 2pn5 s PRO 131 Cb -0.47 -3.09 0.43 0.00 0.02 0.00 0.00 34.50 31.38 2pn5 s PRO 131 CO 0.35 -0.46 1.68 0.00 -0.33 0.00 0.00 177.00 178.24 2pn5 h ALA 132 N 4.99 1.07 -0.01 -1.55 0.00 -1.98 -3.27 119.26 118.51 2pn5 h ALA 132 Ca -0.46 -0.44 -0.13 0.00 0.00 0.00 0.00 54.91 53.88 2pn5 h ALA 132 Cb 1.22 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.93 2pn5 h ALA 132 CO 0.78 0.62 -0.50 0.00 0.00 0.00 0.00 179.25 180.15 2pn5 h ARG 133 N 0.17 0.36 -6.60 0.00 3.08 -2.02 -3.43 114.38 105.93 2pn5 h ARG 133 Ca 0.01 -0.37 -0.57 0.00 0.07 0.00 0.00 59.98 59.13 2pn5 h ARG 133 Cb 0.87 0.10 -0.08 0.00 0.08 0.00 0.00 29.97 30.95 2pn5 h ARG 133 CO 0.07 1.04 0.87 0.08 -1.07 0.00 0.00 179.97 180.96 2pn5 s VAL 134 N -3.25 4.26 -0.14 2.04 1.01 -1.24 -4.87 120.40 118.22 2pn5 s VAL 134 Ca -0.14 1.17 0.18 0.00 0.00 0.00 0.00 61.98 63.19 2pn5 s VAL 134 Cb 0.03 -4.57 -0.25 0.00 0.00 0.00 0.00 36.38 31.59 2pn5 s VAL 134 CO 0.80 -0.96 0.30 1.17 0.00 0.00 0.00 175.10 176.41 2pn5 n LYS 135 N 7.69 0.67 -3.81 2.72 4.81 -1.26 -4.70 118.16 124.28 2pn5 n LYS 135 Ca 0.11 0.01 -0.10 0.00 -0.87 0.00 0.00 58.31 57.47 2pn5 n LYS 135 Cb 0.49 -1.58 -0.05 0.00 0.02 0.00 0.00 35.03 33.91 2pn5 n LYS 135 CO 0.00 0.00 0.00 -1.54 1.17 0.00 0.00 177.40 177.03 2pn5 s SER 136 N -5.40 -0.15 0.35 3.14 1.04 -1.26 -2.24 113.70 109.19 2pn5 s SER 136 Ca -0.08 -0.61 0.04 0.00 0.48 0.00 0.00 55.95 55.78 2pn5 s SER 136 Cb 0.08 0.52 -0.06 0.00 0.10 0.00 0.00 66.02 66.66 2pn5 s SER 136 CO 0.84 -0.98 0.07 0.68 0.98 0.00 0.00 173.24 174.83 2pn5 s VAL 137 N -3.90 1.13 -0.32 5.02 -7.23 0.11 -4.88 120.40 110.32 2pn5 s VAL 137 Ca 0.11 -2.00 -0.04 0.00 -1.81 0.00 0.00 61.98 58.25 2pn5 s VAL 137 Cb 0.01 -2.70 0.05 0.00 0.56 0.00 0.00 36.38 34.30 2pn5 s VAL 137 CO -0.03 0.00 0.06 -0.47 -0.31 0.00 0.00 175.10 174.35 2pn5 s TYR 138 N -3.24 3.29 -0.10 2.82 5.04 -0.54 0.31 117.35 124.93 2pn5 s TYR 138 Ca 0.33 -1.76 0.02 0.00 -2.44 0.00 0.00 57.07 53.22 2pn5 s TYR 138 Cb 0.07 -2.28 -0.02 0.00 0.35 0.00 0.00 41.96 40.09 2pn5 s TYR 138 CO 0.15 -0.79 -0.15 0.54 -1.34 0.00 0.00 175.55 173.95 2pn5 s VAL 139 N 1.30 2.87 -0.02 3.14 0.11 -0.73 0.44 120.40 127.50 2pn5 s VAL 139 Ca -0.03 -0.75 0.04 0.00 -2.93 0.00 0.00 61.98 58.31 2pn5 s VAL 139 Cb -0.20 -2.17 -0.00 0.00 -1.53 0.00 0.00 36.38 32.48 2pn5 s VAL 139 CO 0.00 0.55 -0.13 0.42 -3.33 0.00 0.00 175.10 172.60 2pn5 s THR 140 N 0.08 1.11 -0.12 5.04 -4.23 -0.13 0.04 115.64 117.43 2pn5 s THR 140 Ca -0.07 -0.56 0.00 0.00 -1.18 0.00 0.00 61.69 59.88 2pn5 s THR 140 Cb -0.15 -0.94 -0.02 0.00 1.34 0.00 0.00 72.50 72.73 2pn5 s THR 140 CO 0.05 0.32 -0.12 -0.63 -0.54 0.00 0.00 174.62 173.70 2pn5 s ILE 141 N -0.08 3.20 0.09 2.99 1.01 0.72 -0.88 121.20 128.25 2pn5 s ILE 141 Ca 0.00 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.07 2pn5 s ILE 141 Cb -0.08 -2.34 -0.03 0.00 0.01 0.00 0.00 42.46 40.02 2pn5 s ILE 141 CO 0.00 0.54 -0.11 0.00 0.00 0.00 0.00 174.94 175.37 2pn5 s ARG 142 N 0.09 0.83 0.94 2.79 1.70 -0.92 -0.97 118.95 123.41 2pn5 s ARG 142 Ca -0.05 -1.09 -0.15 0.00 -0.47 0.00 0.00 55.73 53.97 2pn5 s ARG 142 Cb -0.14 -0.60 0.18 0.00 -0.57 0.00 0.00 34.95 33.81 2pn5 s ARG 142 CO 0.04 0.11 1.26 0.16 -1.08 0.00 0.00 175.30 175.79 2pn5 s ASP 143 N -2.23 3.28 0.29 -2.89 3.84 -0.87 -1.98 116.67 116.11 2pn5 s ASP 143 Ca 0.03 0.46 0.10 0.00 -0.00 0.00 0.00 52.55 53.14 2pn5 s ASP 143 Cb -0.05 -0.66 0.53 0.00 -1.38 0.00 0.00 42.92 41.35 2pn5 s ASP 143 CO 0.01 -2.65 1.15 -2.65 -0.00 0.00 0.00 175.17 171.03 2pn5 n PRO 144 N -3.75 0.07 -0.17 2.11 -0.02 -1.19 0.11 135.00 132.16 2pn5 n PRO 144 Ca 0.13 0.52 0.09 0.00 -2.02 0.00 0.00 63.50 62.22 2pn5 n PRO 144 Cb 0.60 -2.08 0.16 0.00 -0.02 0.00 0.00 33.50 32.15 2pn5 n PRO 144 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2pn5 n GLN 145 N -1.91 1.41 -1.14 -0.52 6.02 -1.26 -4.86 117.38 115.12 2pn5 n GLN 145 Ca -0.01 -2.69 -0.05 0.00 -0.01 0.00 0.00 57.00 54.24 2pn5 n GLN 145 Cb 0.37 -1.54 -0.02 0.00 1.02 0.00 0.00 30.24 30.08 2pn5 n GLN 145 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2pn5 n ARG 146 N -1.35 -0.62 -2.44 -1.09 5.12 0.12 -5.00 116.66 111.40 2pn5 n ARG 146 Ca 0.17 0.55 -0.41 0.00 -1.93 0.00 0.00 57.85 56.23 2pn5 n ARG 146 Cb 0.66 -4.28 -0.03 0.00 -1.16 0.00 0.00 32.46 27.65 2pn5 n ARG 146 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 2pn5 s ASN 147 N -2.57 7.14 -0.18 0.55 0.01 -1.26 -4.78 114.94 113.85 2pn5 s ASN 147 Ca 0.00 2.11 -0.29 0.00 -0.71 0.00 0.00 52.86 53.97 2pn5 s ASN 147 Cb 0.00 -2.60 -0.02 0.00 0.41 0.00 0.00 41.25 39.05 2pn5 s ASN 147 CO 0.00 -0.36 1.35 -0.69 -1.51 0.00 0.00 177.10 175.89 2pn5 s VAL 148 N 0.28 4.12 -0.20 1.60 1.01 -1.26 -2.04 120.40 123.91 2pn5 s VAL 148 Ca 0.54 1.34 0.06 0.00 0.00 0.00 0.00 61.98 63.92 2pn5 s VAL 148 Cb -0.30 -3.94 -0.16 0.00 0.00 0.00 0.00 36.38 31.97 2pn5 s VAL 148 CO 0.33 -0.20 -0.10 -0.38 0.00 0.00 0.00 175.10 174.75 2pn5 n ILE 149 N 5.62 1.20 -3.72 2.22 5.41 -0.14 -4.70 119.36 125.25 2pn5 n ILE 149 Ca 0.15 -0.56 -0.14 0.00 1.00 0.00 0.00 62.75 63.20 2pn5 n ILE 149 Cb 0.45 -1.00 -0.14 0.00 -0.71 0.00 0.00 39.64 38.24 2pn5 n ILE 149 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 2pn5 s ARG 150 N -2.42 0.13 -0.06 0.38 6.06 -1.04 -4.89 118.95 117.10 2pn5 s ARG 150 Ca -0.21 0.51 0.03 0.00 -2.50 0.00 0.00 55.73 53.55 2pn5 s ARG 150 Cb 0.07 -0.16 -0.02 0.00 0.06 0.00 0.00 34.95 34.89 2pn5 s ARG 150 CO 0.56 -0.20 -0.14 0.15 -2.50 0.00 0.00 175.30 173.17 2pn5 s LYS 151 N 1.55 2.62 -0.36 5.12 1.02 -1.26 -0.20 119.74 128.22 2pn5 s LYS 151 Ca -0.06 -0.69 0.03 0.00 0.02 0.00 0.00 55.97 55.28 2pn5 s LYS 151 Cb -0.11 -2.42 0.10 0.00 -0.52 0.00 0.00 37.83 34.88 2pn5 s LYS 151 CO -0.07 0.58 0.09 -1.58 -0.92 0.00 0.00 175.35 173.44 2pn5 s TRP 152 N -0.61 3.31 0.28 3.18 0.51 0.11 -5.00 118.94 120.73 2pn5 s TRP 152 Ca 0.09 -2.81 -0.01 0.00 -2.12 0.00 0.00 56.10 51.25 2pn5 s TRP 152 Cb -0.11 -2.69 0.41 0.00 -0.81 0.00 0.00 33.47 30.27 2pn5 s TRP 152 CO 0.01 -0.91 1.84 0.66 -0.51 0.00 0.00 176.95 178.04 2pn5 h SER 153 N 7.52 0.78 -2.19 2.95 4.64 -1.84 -1.95 113.55 123.47 2pn5 h SER 153 Ca -0.06 -0.13 -0.58 0.00 -0.47 0.00 0.00 61.79 60.56 2pn5 h SER 153 Cb 1.00 -0.20 -0.39 0.00 -0.31 0.00 0.00 62.40 62.50 2pn5 h SER 153 CO 0.53 0.75 -1.00 1.07 -0.87 0.00 0.00 176.83 177.31 2pn5 n THR 154 N -4.29 -0.57 -2.85 2.95 5.66 -1.25 -4.23 114.28 109.70 2pn5 n THR 154 Ca 0.04 -3.92 -0.43 0.00 -3.05 0.00 0.00 64.05 56.69 2pn5 n THR 154 Cb 0.21 -1.87 -0.04 0.00 -1.55 0.00 0.00 70.33 67.08 2pn5 n THR 154 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2pn5 s ALA 155 N -0.84 3.19 0.29 1.79 0.00 0.15 -4.82 121.76 121.52 2pn5 s ALA 155 Ca 0.34 -1.14 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 2pn5 s ALA 155 Cb 0.11 -3.69 -0.10 0.00 0.00 0.00 0.00 23.12 19.45 2pn5 s ALA 155 CO -0.14 -2.27 1.36 0.15 0.00 0.00 0.00 175.76 174.86 2pn5 s LYS 156 N 3.82 4.32 0.03 0.00 1.02 -1.26 -0.71 119.74 126.95 2pn5 s LYS 156 Ca 0.31 2.25 -0.24 0.00 0.02 0.00 0.00 55.97 58.31 2pn5 s LYS 156 Cb -0.12 -3.09 -0.05 0.00 -0.52 0.00 0.00 37.83 34.05 2pn5 s LYS 156 CO 0.21 -0.29 0.73 -0.51 -0.92 0.00 0.00 175.35 174.57 2pn5 s LEU 157 N -1.19 4.43 -0.27 3.17 1.02 -0.95 -4.38 118.68 120.52 2pn5 s LEU 157 Ca 0.53 1.38 0.02 0.00 0.02 0.00 0.00 54.13 56.08 2pn5 s LEU 157 Cb -0.40 -3.17 0.07 0.00 0.02 0.00 0.00 46.19 42.71 2pn5 s LEU 157 CO 0.49 0.02 -0.05 -0.47 0.02 0.00 0.00 176.35 176.35 2pn5 s TYR 158 N 0.01 2.93 -1.46 0.29 5.04 0.15 -4.64 117.35 119.67 2pn5 s TYR 158 Ca 0.37 -2.19 -0.09 0.00 -2.44 0.00 0.00 57.07 52.73 2pn5 s TYR 158 Cb -0.20 -1.94 0.04 0.00 0.35 0.00 0.00 41.96 40.21 2pn5 s TYR 158 CO 0.22 -0.85 0.79 0.00 -1.34 0.00 0.00 175.55 174.37 2pn5 n ALA 159 N 4.52 -1.14 -0.02 3.97 0.00 -1.26 -2.28 120.51 124.31 2pn5 n ALA 159 Ca -0.10 0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2pn5 n ALA 159 Cb 0.43 -4.13 0.00 0.00 0.00 0.00 0.00 19.45 15.75 2pn5 n ALA 159 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2pn5 n GLY 160 N -1.59 1.46 3.58 0.00 0.00 -1.26 -4.74 105.19 102.64 2pn5 n GLY 160 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 2pn5 n GLY 160 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pn5 s VAL 161 N -2.51 3.88 -0.12 1.61 1.01 -0.97 -0.65 120.40 122.66 2pn5 s VAL 161 Ca 0.00 -0.40 0.03 0.00 0.00 0.00 0.00 61.98 61.61 2pn5 s VAL 161 Cb 0.00 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.76 2pn5 s VAL 161 CO 0.00 0.58 -0.20 0.12 0.00 0.00 0.00 175.10 175.59 2pn5 s PHE 162 N -0.54 2.39 -0.02 5.22 5.36 -0.46 0.30 117.98 130.24 2pn5 s PHE 162 Ca 0.08 -1.12 0.07 0.00 -0.96 0.00 0.00 56.93 55.01 2pn5 s PHE 162 Cb -0.12 -1.64 -0.02 0.00 -0.34 0.00 0.00 43.02 40.90 2pn5 s PHE 162 CO 0.02 -0.51 -0.24 -2.00 -1.46 0.00 0.00 175.22 171.03 2pn5 s GLU 163 N 0.72 2.02 0.29 10.12 2.12 -1.26 -0.30 118.70 132.41 2pn5 s GLU 163 Ca -0.11 -0.86 -0.18 0.00 0.36 0.00 0.00 54.97 54.18 2pn5 s GLU 163 Cb -0.16 -1.92 0.07 0.00 0.26 0.00 0.00 34.13 32.38 2pn5 s GLU 163 CO 0.01 0.50 0.92 0.45 -0.54 0.00 0.00 175.26 176.60 2pn5 n SER 164 N 2.55 -2.04 -4.14 -1.70 2.88 -0.84 -5.03 113.62 105.30 2pn5 n SER 164 Ca -0.16 -2.27 -0.09 0.00 -1.33 0.00 0.00 58.87 55.02 2pn5 n SER 164 Cb 0.52 3.37 -0.10 0.00 -0.75 0.00 0.00 64.21 67.25 2pn5 n SER 164 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2pn5 s ASP 165 N -3.28 0.45 -0.04 -3.46 1.47 -1.26 -1.51 116.67 109.03 2pn5 s ASP 165 Ca 0.20 -1.14 0.01 0.00 1.18 0.00 0.00 52.55 52.80 2pn5 s ASP 165 Cb -0.04 0.25 0.02 0.00 -0.34 0.00 0.00 42.92 42.81 2pn5 s ASP 165 CO 0.09 -0.67 -0.05 -0.22 0.68 0.00 0.00 175.17 175.00 2pn5 s LEU 166 N -3.02 1.35 -0.12 2.11 2.96 0.25 -4.98 118.68 117.23 2pn5 s LEU 166 Ca 0.19 -0.13 -0.25 0.00 -0.22 0.00 0.00 54.13 53.71 2pn5 s LEU 166 Cb 0.07 -0.45 -0.02 0.00 0.50 0.00 0.00 46.19 46.29 2pn5 s LEU 166 CO -0.02 -0.05 0.81 -1.58 -1.32 0.00 0.00 176.35 174.19 2pn5 s GLN 167 N 0.89 4.37 0.13 1.98 0.74 -1.26 -0.87 119.66 125.64 2pn5 s GLN 167 Ca -0.12 1.03 -0.25 0.00 0.05 0.00 0.00 55.36 56.07 2pn5 s GLN 167 Cb -0.14 -3.52 -0.07 0.00 1.10 0.00 0.00 33.01 30.37 2pn5 s GLN 167 CO 0.00 -0.17 0.78 0.42 -0.55 0.00 0.00 175.29 175.77 2pn5 s ILE 168 N 1.60 4.47 0.58 -2.34 1.01 -0.50 -4.99 121.20 121.03 2pn5 s ILE 168 Ca 0.40 1.70 -0.18 0.00 0.00 0.00 0.00 60.65 62.57 2pn5 s ILE 168 Cb -0.17 -4.14 -0.04 0.00 0.01 0.00 0.00 42.46 38.12 2pn5 s ILE 168 CO 0.16 0.48 1.11 0.00 0.00 0.00 0.00 174.94 176.69 2pn5 s ALA 169 N -0.83 2.63 0.42 9.38 0.00 -1.25 -4.44 121.76 127.66 2pn5 s ALA 169 Ca 0.37 0.69 0.16 0.00 0.00 0.00 0.00 51.96 53.18 2pn5 s ALA 169 Cb -0.22 -3.33 1.05 0.00 0.00 0.00 0.00 23.12 20.61 2pn5 s ALA 169 CO 0.25 -0.93 1.88 -1.35 0.00 0.00 0.00 175.76 175.62 2pn5 h PRO 170 N 0.76 0.42 -2.72 0.00 0.11 -1.91 -3.22 132.00 125.45 2pn5 h PRO 170 Ca -0.49 -0.03 -0.61 0.00 0.11 0.00 0.00 66.00 64.99 2pn5 h PRO 170 Cb 1.25 -0.10 -0.41 0.00 0.11 0.00 0.00 31.00 31.86 2pn5 h PRO 170 CO 0.56 0.28 -0.73 2.41 -0.21 0.00 0.00 178.00 180.31 2pn5 n THR 171 N -4.50 0.70 -2.62 -1.15 -1.04 -1.26 -4.74 114.28 99.66 2pn5 n THR 171 Ca 0.17 -4.41 -0.23 0.00 -2.04 0.00 0.00 64.05 57.54 2pn5 n THR 171 Cb 0.62 -2.00 0.09 0.00 -1.82 0.00 0.00 70.33 67.21 2pn5 n THR 171 CO 0.00 0.00 0.00 -2.16 -0.64 0.00 0.00 175.07 172.27 2pn5 s PRO 172 N -1.08 1.94 -0.40 -2.82 0.04 -1.21 -4.76 135.00 126.70 2pn5 s PRO 172 Ca 0.29 -1.06 -0.26 0.00 0.04 0.00 0.00 61.00 60.01 2pn5 s PRO 172 Cb 0.01 -2.39 0.02 0.00 0.04 0.00 0.00 34.50 32.18 2pn5 s PRO 172 CO -0.16 -1.23 0.96 -1.64 0.04 0.00 0.00 177.00 174.97 2pn5 s MET 173 N -5.02 3.76 0.33 4.56 -1.94 -1.26 -5.02 119.30 114.71 2pn5 s MET 173 Ca 0.64 0.50 -0.28 0.00 -1.71 0.00 0.00 55.69 54.84 2pn5 s MET 173 Cb -0.07 -3.84 -0.09 0.00 2.01 0.00 0.00 34.83 32.84 2pn5 s MET 173 CO 0.42 -1.07 1.13 -0.51 -0.01 0.00 0.00 175.02 174.99 2pn5 s LEU 174 N 3.67 4.40 0.00 -0.03 1.43 -1.26 -4.58 118.68 122.30 2pn5 s LEU 174 Ca 0.39 2.30 0.00 0.00 -1.03 0.00 0.00 54.13 55.79 2pn5 s LEU 174 Cb -0.11 -3.80 0.00 0.00 0.03 0.00 0.00 46.19 42.31 2pn5 s LEU 174 CO 0.22 -0.36 0.00 0.61 0.23 0.00 0.00 176.35 177.05 2pn5 n GLY 175 N 0.89 0.52 3.50 -3.19 0.00 -0.84 -4.82 105.19 101.26 2pn5 n GLY 175 Ca 0.01 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 43.98 2pn5 n GLY 175 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pn5 s VAL 176 N -2.74 4.79 0.29 1.61 1.01 -1.26 -1.53 120.40 122.56 2pn5 s VAL 176 Ca 0.00 -0.09 0.03 0.00 0.00 0.00 0.00 61.98 61.91 2pn5 s VAL 176 Cb 0.00 -3.31 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 2pn5 s VAL 176 CO 0.00 0.24 0.45 0.26 0.00 0.00 0.00 175.10 176.05 2pn5 s TRP 177 N 1.67 3.48 -0.12 5.22 0.52 0.81 -3.16 118.94 127.35 2pn5 s TRP 177 Ca 0.06 0.17 -0.00 0.00 0.02 0.00 0.00 56.10 56.35 2pn5 s TRP 177 Cb -0.16 -1.74 0.03 0.00 -1.15 0.00 0.00 33.47 30.45 2pn5 s TRP 177 CO 0.07 0.29 -0.07 1.21 0.02 0.00 0.00 176.95 178.47 2pn5 s ASN 178 N -3.97 2.32 -0.23 2.95 3.84 -0.84 -1.70 114.94 117.31 2pn5 s ASN 178 Ca 0.37 -0.38 -0.17 0.00 0.21 0.00 0.00 52.86 52.89 2pn5 s ASN 178 Cb -0.09 -0.86 -0.03 0.00 -0.55 0.00 0.00 41.25 39.72 2pn5 s ASN 178 CO 0.32 -0.13 0.46 -0.63 -2.79 0.00 0.00 177.10 174.33 2pn5 s ILE 179 N 1.69 5.13 -0.12 -5.21 1.01 0.21 -2.17 121.20 121.74 2pn5 s ILE 179 Ca 0.04 0.81 0.02 0.00 0.00 0.00 0.00 60.65 61.52 2pn5 s ILE 179 Cb -0.13 -3.79 0.01 0.00 0.01 0.00 0.00 42.46 38.57 2pn5 s ILE 179 CO -0.08 0.17 -0.17 -0.55 0.00 0.00 0.00 174.94 174.31 2pn5 s SER 180 N 1.31 2.66 -0.11 3.58 0.15 -0.06 -0.57 113.70 120.67 2pn5 s SER 180 Ca 0.20 -0.49 -0.00 0.00 0.70 0.00 0.00 55.95 56.36 2pn5 s SER 180 Cb -0.15 -1.20 -0.02 0.00 -1.71 0.00 0.00 66.02 62.93 2pn5 s SER 180 CO 0.09 0.02 -0.09 -0.69 1.20 0.00 0.00 173.24 173.77 2pn5 s VAL 181 N 1.03 3.42 -0.02 4.45 1.01 0.18 -0.96 120.40 129.51 2pn5 s VAL 181 Ca -0.05 -0.55 0.04 0.00 0.00 0.00 0.00 61.98 61.42 2pn5 s VAL 181 Cb -0.15 -2.44 -0.00 0.00 0.00 0.00 0.00 36.38 33.79 2pn5 s VAL 181 CO -0.03 0.54 -0.13 -0.70 0.00 0.00 0.00 175.10 174.78 2pn5 s GLU 182 N -0.01 1.20 -0.11 2.72 2.12 0.17 -0.45 118.70 124.34 2pn5 s GLU 182 Ca -0.02 -0.46 0.02 0.00 0.36 0.00 0.00 54.97 54.88 2pn5 s GLU 182 Cb -0.14 -1.11 0.01 0.00 0.26 0.00 0.00 34.13 33.15 2pn5 s GLU 182 CO 0.03 0.23 -0.18 0.08 -0.54 0.00 0.00 175.26 174.88 2pn5 s VAL 183 N -0.09 1.72 -1.32 3.70 1.01 0.83 -1.46 120.40 124.78 2pn5 s VAL 183 Ca 0.01 -0.79 -0.09 0.00 0.00 0.00 0.00 61.98 61.11 2pn5 s VAL 183 Cb -0.08 -1.54 0.00 0.00 0.00 0.00 0.00 36.38 34.77 2pn5 s VAL 183 CO 0.00 0.48 0.52 -0.62 0.00 0.00 0.00 175.10 175.49 2pn5 n GLU 184 N 4.02 -2.26 -1.86 2.72 -0.58 -1.26 -0.45 120.64 120.97 2pn5 n GLU 184 Ca -0.20 0.36 -0.19 0.00 -0.42 0.00 0.00 57.16 56.72 2pn5 n GLU 184 Cb 0.52 -4.15 -0.05 0.00 -0.57 0.00 0.00 31.44 27.18 2pn5 n GLU 184 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2pn5 n GLY 185 N -1.95 0.94 2.93 0.62 0.00 -1.26 -4.98 105.19 101.49 2pn5 n GLY 185 Ca -0.23 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.59 2pn5 n GLY 185 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pn5 s GLU 186 N -4.12 0.82 0.15 1.61 2.02 0.41 -5.11 118.70 114.47 2pn5 s GLU 186 Ca 0.00 -0.17 -0.31 0.00 0.02 0.00 0.00 54.97 54.50 2pn5 s GLU 186 Cb 0.00 -0.80 -0.11 0.00 0.10 0.00 0.00 34.13 33.32 2pn5 s GLU 186 CO 0.00 0.00 1.82 -2.00 0.02 0.00 0.00 175.26 175.10 2pn5 s GLU 187 N 0.57 4.13 -0.22 1.61 2.12 -1.26 -0.12 118.70 125.52 2pn5 s GLU 187 Ca -0.08 2.62 -0.03 0.00 0.36 0.00 0.00 54.97 57.84 2pn5 s GLU 187 Cb -0.11 -3.46 -0.12 0.00 0.26 0.00 0.00 34.13 30.69 2pn5 s GLU 187 CO 0.00 -0.83 -0.23 -0.11 -0.54 0.00 0.00 175.26 173.55 2pn5 n LEU 188 N 5.26 2.47 -3.80 2.70 7.94 0.40 -4.86 117.00 127.11 2pn5 n LEU 188 Ca 0.17 0.03 -0.12 0.00 -1.11 0.00 0.00 56.01 54.98 2pn5 n LEU 188 Cb 0.37 -0.72 -0.11 0.00 0.53 0.00 0.00 43.42 43.50 2pn5 n LEU 188 CO 0.65 0.72 -0.10 -0.69 -1.11 0.00 0.00 177.39 176.86 2pn5 s VAL 189 N -2.42 0.03 0.03 1.96 1.01 -1.07 -4.50 120.40 115.43 2pn5 s VAL 189 Ca -0.30 -0.23 0.05 0.00 0.00 0.00 0.00 61.98 61.49 2pn5 s VAL 189 Cb 0.09 -0.40 -0.02 0.00 0.00 0.00 0.00 36.38 36.05 2pn5 s VAL 189 CO 0.46 -0.13 -0.14 -0.55 0.00 0.00 0.00 175.10 174.74 2pn5 s SER 190 N -0.45 1.60 -0.11 3.32 0.15 -1.26 0.51 113.70 117.47 2pn5 s SER 190 Ca -0.05 -0.40 -0.09 0.00 0.70 0.00 0.00 55.95 56.10 2pn5 s SER 190 Cb -0.04 -0.12 0.03 0.00 -1.71 0.00 0.00 66.02 64.18 2pn5 s SER 190 CO 0.01 0.06 0.28 -0.75 1.20 0.00 0.00 173.24 174.04 2pn5 s LYS 191 N -0.92 0.32 0.33 5.44 2.47 0.27 -4.93 119.74 122.72 2pn5 s LYS 191 Ca 0.02 0.41 0.07 0.00 -1.56 0.00 0.00 55.97 54.91 2pn5 s LYS 191 Cb -0.07 0.14 -0.02 0.00 -1.46 0.00 0.00 37.83 36.42 2pn5 s LYS 191 CO 0.01 -0.05 0.37 0.95 0.16 0.00 0.00 175.35 176.79 2pn5 s THR 192 N 0.24 3.78 0.10 3.43 -4.23 -1.26 0.67 115.64 118.37 2pn5 s THR 192 Ca -0.01 -1.21 -0.12 0.00 -1.18 0.00 0.00 61.69 59.17 2pn5 s THR 192 Cb -0.03 -3.29 0.02 0.00 1.34 0.00 0.00 72.50 70.54 2pn5 s THR 192 CO -0.00 -0.17 0.29 0.72 -0.54 0.00 0.00 174.62 174.92 2pn5 s PHE 193 N -2.25 -0.03 0.06 3.99 -0.71 -0.69 -4.92 117.98 113.43 2pn5 s PHE 193 Ca 0.43 -0.32 0.03 0.00 -1.04 0.00 0.00 56.93 56.02 2pn5 s PHE 193 Cb -0.07 0.10 -0.04 0.00 -1.21 0.00 0.00 43.02 41.79 2pn5 s PHE 193 CO 0.28 -0.61 0.06 -1.21 -1.34 0.00 0.00 175.22 172.41 2pn5 s GLU 194 N -3.70 2.87 -0.17 1.99 2.02 -0.64 -0.14 118.70 120.94 2pn5 s GLU 194 Ca 0.03 -0.67 0.02 0.00 0.02 0.00 0.00 54.97 54.37 2pn5 s GLU 194 Cb 0.03 -2.72 0.02 0.00 0.10 0.00 0.00 34.13 31.55 2pn5 s GLU 194 CO -0.11 0.58 -0.21 0.08 0.02 0.00 0.00 175.26 175.63 2pn5 s VAL 195 N -1.33 2.08 0.14 2.63 1.01 -0.58 -0.59 120.40 123.77 2pn5 s VAL 195 Ca 0.27 -0.95 0.06 0.00 0.00 0.00 0.00 61.98 61.37 2pn5 s VAL 195 Cb -0.12 -1.85 -0.04 0.00 0.00 0.00 0.00 36.38 34.36 2pn5 s VAL 195 CO 0.19 0.54 -0.14 -0.54 0.00 0.00 0.00 175.10 175.15 2pn5 s LYS 196 N 1.11 1.11 0.16 2.72 1.02 -0.26 -1.99 119.74 123.61 2pn5 s LYS 196 Ca 0.00 -1.34 -0.14 0.00 0.02 0.00 0.00 55.97 54.51 2pn5 s LYS 196 Cb -0.14 -0.97 -0.07 0.00 -0.52 0.00 0.00 37.83 36.13 2pn5 s LYS 196 CO -0.09 0.18 0.56 -1.21 -0.92 0.00 0.00 175.35 173.88 2pn5 s GLU 197 N -2.95 3.98 0.00 1.68 2.02 -1.26 -4.36 118.70 117.82 2pn5 s GLU 197 Ca 0.13 0.50 0.27 0.00 0.02 0.00 0.00 54.97 55.89 2pn5 s GLU 197 Cb -0.04 -2.90 1.18 0.00 0.10 0.00 0.00 34.13 32.48 2pn5 s GLU 197 CO 0.04 0.45 1.88 2.48 0.02 0.00 0.00 175.26 180.13 2pn5 n TYR 198 N 0.70 0.00 0.26 1.61 4.11 -1.26 -4.13 117.16 118.45 2pn5 n TYR 198 Ca -0.04 0.00 0.01 0.00 -0.00 0.00 0.00 57.90 57.86 2pn5 n TYR 198 Cb 0.52 -0.49 0.06 0.00 -0.00 0.00 0.00 39.34 39.42 2pn5 n TYR 198 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.86 177.14 2pn5 n VAL 199 N -1.49 0.00 -1.39 -3.48 0.31 -1.26 -4.35 118.33 106.66 2pn5 n VAL 199 Ca 0.07 0.00 -0.26 0.00 -0.01 0.00 0.00 64.34 64.14 2pn5 n VAL 199 Cb 0.32 -0.66 -0.11 0.00 -0.91 0.00 0.00 33.84 32.48 2pn5 n VAL 199 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2pn5 n LEU 200 N -0.73 1.75 0.16 7.52 4.77 -1.26 -4.72 117.00 124.49 2pn5 n LEU 200 Ca 0.01 -2.42 0.12 0.00 -0.03 0.00 0.00 56.01 53.70 2pn5 n LEU 200 Cb 0.01 -1.42 0.55 0.00 -2.33 0.00 0.00 43.42 40.23 2pn5 n LEU 200 CO 0.01 -2.76 0.87 0.77 -1.33 0.00 0.00 177.39 174.95 2pn5 h SER 201 N 10.70 0.00 -4.05 -1.43 4.64 -1.98 -3.40 113.55 118.02 2pn5 h SER 201 Ca 0.13 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.93 2pn5 h SER 201 Cb 0.90 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.08 2pn5 h SER 201 CO 1.34 0.00 0.48 0.28 -0.87 0.00 0.00 176.83 178.07 2pn5 s THR 202 N -3.42 2.86 0.24 2.95 -1.32 -1.26 -4.97 115.64 110.72 2pn5 s THR 202 Ca 0.02 0.59 0.11 0.00 -1.21 0.00 0.00 61.69 61.21 2pn5 s THR 202 Cb 0.09 -3.27 -0.05 0.00 -1.51 0.00 0.00 72.50 67.76 2pn5 s THR 202 CO 0.36 -0.06 -0.20 0.72 -2.21 0.00 0.00 174.62 173.23 2pn5 s PHE 203 N -1.58 2.21 0.07 9.09 -0.71 -1.26 -4.42 117.98 121.37 2pn5 s PHE 203 Ca 0.71 -0.37 0.01 0.00 -1.04 0.00 0.00 56.93 56.24 2pn5 s PHE 203 Cb -0.29 -1.00 -0.04 0.00 -1.21 0.00 0.00 43.02 40.47 2pn5 s PHE 203 CO 0.34 0.61 0.17 -0.51 -1.34 0.00 0.00 175.22 174.48 2pn5 s ASP 204 N -3.23 6.08 -0.08 1.98 1.01 -0.38 -4.95 116.67 117.10 2pn5 s ASP 204 Ca 0.26 0.17 0.04 0.00 0.71 0.00 0.00 52.55 53.74 2pn5 s ASP 204 Cb -0.05 -1.80 -0.01 0.00 1.01 0.00 0.00 42.92 42.07 2pn5 s ASP 204 CO 0.12 0.17 -0.22 -0.69 0.21 0.00 0.00 175.17 174.76 2pn5 s VAL 205 N -1.48 2.26 -0.07 -1.27 1.01 -1.26 -1.88 120.40 117.72 2pn5 s VAL 205 Ca 0.33 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 61.37 2pn5 s VAL 205 Cb -0.13 -1.85 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 2pn5 s VAL 205 CO 0.26 0.56 -0.15 -1.10 0.00 0.00 0.00 175.10 174.67 2pn5 s GLN 206 N 0.03 2.67 -0.17 2.72 -0.21 0.18 -4.92 119.66 119.95 2pn5 s GLN 206 Ca -0.08 -0.72 -0.03 0.00 0.02 0.00 0.00 55.36 54.55 2pn5 s GLN 206 Cb -0.15 -2.40 0.05 0.00 1.00 0.00 0.00 33.01 31.51 2pn5 s GLN 206 CO 0.05 0.52 0.03 0.08 -2.12 0.00 0.00 175.29 173.85 2pn5 s VAL 207 N -0.46 0.50 0.02 1.09 1.01 -1.26 -0.71 120.40 120.60 2pn5 s VAL 207 Ca 0.06 -0.44 0.00 0.00 0.00 0.00 0.00 61.98 61.60 2pn5 s VAL 207 Cb -0.12 -0.95 -0.02 0.00 0.00 0.00 0.00 36.38 35.29 2pn5 s VAL 207 CO 0.02 -0.13 -0.04 0.00 0.00 0.00 0.00 175.10 174.95 2pn5 s MET 208 N 1.88 0.36 0.38 2.72 0.23 -0.93 -4.94 119.30 118.99 2pn5 s MET 208 Ca 0.00 -0.64 -0.28 0.00 -1.03 0.00 0.00 55.69 53.74 2pn5 s MET 208 Cb -0.16 0.03 -0.10 0.00 -1.53 0.00 0.00 34.83 33.07 2pn5 s MET 208 CO -0.08 -0.03 1.39 -2.14 -2.03 0.00 0.00 175.02 172.13 2pn5 s PRO 209 N -1.50 4.12 0.16 3.16 0.02 -1.26 -0.49 135.00 139.20 2pn5 s PRO 209 Ca -0.15 2.36 0.24 0.00 0.02 0.00 0.00 61.00 63.47 2pn5 s PRO 209 Cb -0.10 -2.93 0.31 0.00 0.02 0.00 0.00 34.50 31.80 2pn5 s PRO 209 CO -0.01 -0.44 1.31 0.66 -0.33 0.00 0.00 177.00 178.19 2pn5 h SER 210 N 2.99 0.00 -4.80 2.53 4.64 -1.65 -3.44 113.55 113.82 2pn5 h SER 210 Ca -0.50 -0.15 -0.15 0.00 -0.47 0.00 0.00 61.79 60.52 2pn5 h SER 210 Cb 1.24 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 63.11 2pn5 h SER 210 CO 0.64 0.07 -0.49 0.54 -0.87 0.00 0.00 176.83 176.72 2pn5 s VAL 211 N -3.20 0.07 0.07 0.95 0.11 -1.26 -5.04 120.40 112.10 2pn5 s VAL 211 Ca 0.05 -0.59 -0.31 0.00 -2.93 0.00 0.00 61.98 58.21 2pn5 s VAL 211 Cb 0.12 -0.41 -0.07 0.00 -1.53 0.00 0.00 36.38 34.49 2pn5 s VAL 211 CO 0.72 -0.32 1.43 0.27 -3.33 0.00 0.00 175.10 173.87 2pn5 s ILE 212 N -1.17 3.38 -0.04 7.04 -4.36 -1.26 -4.76 121.20 120.04 2pn5 s ILE 212 Ca -0.13 0.92 -0.30 0.00 -0.26 0.00 0.00 60.65 60.88 2pn5 s ILE 212 Cb -0.07 -3.59 -0.05 0.00 1.25 0.00 0.00 42.46 40.01 2pn5 s ILE 212 CO 0.01 0.04 1.43 -2.84 0.24 0.00 0.00 174.94 173.82 2pn5 s PRO 213 N 1.69 4.26 0.01 0.37 0.02 -1.26 -5.00 135.00 135.08 2pn5 s PRO 213 Ca 0.66 1.96 0.04 0.00 0.02 0.00 0.00 61.00 63.68 2pn5 s PRO 213 Cb -0.36 -3.68 -0.03 0.00 0.02 0.00 0.00 34.50 30.45 2pn5 s PRO 213 CO 0.29 -0.65 -0.10 -0.51 -0.33 0.00 0.00 177.00 175.70 2pn5 s LEU 214 N 2.88 2.98 0.31 -5.54 1.43 -1.26 -0.87 118.68 118.61 2pn5 s LEU 214 Ca 0.64 -0.22 0.07 0.00 -1.03 0.00 0.00 54.13 53.59 2pn5 s LEU 214 Cb -0.30 -1.71 0.78 0.00 0.03 0.00 0.00 46.19 44.99 2pn5 s LEU 214 CO 0.25 0.28 1.76 -0.08 0.23 0.00 0.00 176.35 178.79 2pn5 h GLU 215 N 4.63 0.67 -0.08 1.70 4.81 -1.45 0.02 114.58 124.88 2pn5 h GLU 215 Ca -0.48 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 58.72 2pn5 h GLU 215 Cb 1.16 -0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.39 2pn5 h GLU 215 CO 0.52 0.44 0.06 1.05 -0.73 0.00 0.00 179.01 180.34 2pn5 h GLU 216 N 0.69 0.08 0.00 1.92 4.11 -1.88 -1.51 114.58 117.99 2pn5 h GLU 216 Ca 0.60 -0.01 -0.02 0.00 0.07 0.00 0.00 59.36 60.00 2pn5 h GLU 216 Cb 1.01 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.23 2pn5 h GLU 216 CO -0.42 0.06 -0.11 0.45 0.07 0.00 0.00 179.01 179.06 2pn5 h HIS 217 N 0.09 0.00 -2.99 2.06 3.86 -1.39 -3.46 115.15 113.32 2pn5 h HIS 217 Ca 0.03 0.00 -0.27 0.00 -1.16 0.00 0.00 60.37 58.97 2pn5 h HIS 217 Cb 0.03 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.45 2pn5 h HIS 217 CO -0.00 0.11 -0.31 1.04 0.86 0.00 0.00 177.93 179.62 2pn5 n GLN 218 N -3.82 -1.89 -3.50 2.45 1.13 -0.57 -4.89 117.38 106.30 2pn5 n GLN 218 Ca -0.02 0.69 -0.10 0.00 -1.94 0.00 0.00 57.00 55.63 2pn5 n GLN 218 Cb 0.21 -5.19 -0.02 0.00 0.11 0.00 0.00 30.24 25.35 2pn5 n GLN 218 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2pn5 s ALA 219 N -2.50 -1.67 -0.11 -1.58 0.00 -1.26 0.53 121.76 115.17 2pn5 s ALA 219 Ca 0.00 0.63 0.02 0.00 0.00 0.00 0.00 51.96 52.61 2pn5 s ALA 219 Cb 0.00 0.69 0.01 0.00 0.00 0.00 0.00 23.12 23.82 2pn5 s ALA 219 CO 0.00 -0.77 -0.17 0.08 0.00 0.00 0.00 175.76 174.90 2pn5 s VAL 220 N -3.49 1.64 -0.21 0.00 1.01 0.83 -4.71 120.40 115.47 2pn5 s VAL 220 Ca 0.04 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.16 2pn5 s VAL 220 Cb -0.01 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.84 2pn5 s VAL 220 CO -0.09 0.47 0.20 0.20 0.00 0.00 0.00 175.10 175.87 2pn5 s ASN 221 N 0.84 6.23 -0.07 3.32 0.01 -1.26 -0.35 114.94 123.66 2pn5 s ASN 221 Ca -0.09 0.26 0.04 0.00 -0.71 0.00 0.00 52.86 52.35 2pn5 s ASN 221 Cb -0.16 -2.13 0.00 0.00 0.41 0.00 0.00 41.25 39.38 2pn5 s ASN 221 CO 0.00 0.09 -0.19 -0.76 -1.51 0.00 0.00 177.10 174.73 2pn5 s LEU 222 N 0.80 1.92 -0.21 0.60 1.43 0.13 -1.71 118.68 121.63 2pn5 s LEU 222 Ca 0.10 -0.42 -0.21 0.00 -1.03 0.00 0.00 54.13 52.57 2pn5 s LEU 222 Cb -0.13 -1.11 -0.02 0.00 0.03 0.00 0.00 46.19 44.96 2pn5 s LEU 222 CO 0.03 0.14 0.66 -0.89 0.23 0.00 0.00 176.35 176.52 2pn5 s THR 223 N 0.24 4.99 -0.12 5.49 2.01 0.35 -1.14 115.64 127.46 2pn5 s THR 223 Ca -0.11 1.24 -0.02 0.00 0.31 0.00 0.00 61.69 63.11 2pn5 s THR 223 Cb -0.15 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.37 2pn5 s THR 223 CO 0.05 0.07 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.37 2pn5 s ILE 224 N 2.11 3.77 -0.03 1.82 1.01 -0.25 -2.19 121.20 127.45 2pn5 s ILE 224 Ca 0.29 -0.42 0.00 0.00 0.00 0.00 0.00 60.65 60.53 2pn5 s ILE 224 Cb -0.16 -2.61 0.03 0.00 0.01 0.00 0.00 42.46 39.73 2pn5 s ILE 224 CO 0.10 0.54 0.00 -0.70 0.00 0.00 0.00 174.94 174.88 2pn5 s GLU 225 N -0.09 0.24 -0.10 2.79 2.12 0.12 -0.78 118.70 123.00 2pn5 s GLU 225 Ca 0.01 0.08 -0.00 0.00 0.36 0.00 0.00 54.97 55.42 2pn5 s GLU 225 Cb -0.13 -0.43 0.02 0.00 0.26 0.00 0.00 34.13 33.86 2pn5 s GLU 225 CO 0.03 -0.13 -0.06 0.00 -0.54 0.00 0.00 175.26 174.56 2pn5 s ALA 226 N 0.95 1.16 0.02 6.30 0.00 0.31 0.50 121.76 131.00 2pn5 s ALA 226 Ca -0.09 -0.43 0.01 0.00 0.00 0.00 0.00 51.96 51.45 2pn5 s ALA 226 Cb -0.13 -0.84 -0.01 0.00 0.00 0.00 0.00 23.12 22.14 2pn5 s ALA 226 CO -0.02 -0.39 -0.04 -0.80 0.00 0.00 0.00 175.76 174.52 2pn5 s ASN 227 N 1.69 0.43 0.72 0.00 0.01 -0.79 -1.78 114.94 115.23 2pn5 s ASN 227 Ca 0.03 -0.34 -0.11 0.00 -0.71 0.00 0.00 52.86 51.73 2pn5 s ASN 227 Cb -0.13 0.03 0.02 0.00 0.41 0.00 0.00 41.25 41.59 2pn5 s ASN 227 CO -0.07 -0.15 1.08 -0.31 -1.51 0.00 0.00 177.10 176.14 2pn5 s TYR 228 N -0.91 3.13 0.11 2.20 1.51 -0.82 -1.25 117.35 121.33 2pn5 s TYR 228 Ca -0.08 1.22 -0.18 0.00 -1.01 0.00 0.00 57.07 57.03 2pn5 s TYR 228 Cb -0.07 -2.99 -0.04 0.00 -0.11 0.00 0.00 41.96 38.75 2pn5 s TYR 228 CO -0.00 -1.34 1.66 0.45 -1.11 0.00 0.00 175.55 175.20 2pn5 h HIS 229 N -0.78 0.46 -0.61 2.71 3.86 -1.78 -2.27 115.15 116.73 2pn5 h HIS 229 Ca -0.45 -0.03 0.12 0.00 -1.16 0.00 0.00 60.37 58.84 2pn5 h HIS 229 Cb 1.24 -0.14 -0.12 0.00 1.06 0.00 0.00 27.41 29.45 2pn5 h HIS 229 CO 0.54 0.45 -0.26 0.35 0.86 0.00 0.00 177.93 179.87 2pn5 h PHE 230 N 0.34 -0.65 0.00 2.45 3.57 -1.91 -3.46 116.94 117.28 2pn5 h PHE 230 Ca 0.10 0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2pn5 h PHE 230 Cb 0.18 0.38 0.00 0.00 2.79 0.00 0.00 35.95 39.30 2pn5 h PHE 230 CO -0.01 -0.34 0.00 0.41 -2.23 0.00 0.00 178.31 176.14 2pn5 n GLY 231 N -1.44 0.54 3.74 2.40 0.00 -0.85 -5.08 105.19 104.49 2pn5 n GLY 231 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 2pn5 n GLY 231 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pn5 s LYS 232 N 0.00 4.15 0.65 1.61 1.02 -1.26 -4.63 119.74 121.28 2pn5 s LYS 232 Ca 0.00 2.53 -0.18 0.00 0.02 0.00 0.00 55.97 58.34 2pn5 s LYS 232 Cb 0.00 -3.05 -0.01 0.00 -0.52 0.00 0.00 37.83 34.24 2pn5 s LYS 232 CO 0.00 -0.62 1.22 -0.35 -0.92 0.00 0.00 175.35 174.68 2pn5 n PRO 233 N 2.67 1.02 -4.49 -1.68 -0.04 -1.26 -1.94 135.00 129.28 2pn5 n PRO 233 Ca 0.10 0.40 -0.34 0.00 -0.04 0.00 0.00 63.50 63.62 2pn5 n PRO 233 Cb 0.37 -2.45 -0.10 0.00 -0.04 0.00 0.00 33.50 31.28 2pn5 n PRO 233 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2pn5 s VAL 234 N -1.44 3.96 -0.19 0.52 0.11 -0.73 -4.81 120.40 117.81 2pn5 s VAL 234 Ca 0.81 -0.43 -0.11 0.00 -2.93 0.00 0.00 61.98 59.32 2pn5 s VAL 234 Cb -0.38 -2.66 -0.05 0.00 -1.53 0.00 0.00 36.38 31.76 2pn5 s VAL 234 CO 0.42 0.56 0.19 -1.58 -3.33 0.00 0.00 175.10 171.36 2pn5 s GLN 235 N -0.96 4.21 0.12 1.54 0.74 -1.26 -0.65 119.66 123.40 2pn5 s GLN 235 Ca 0.14 -0.11 -0.10 0.00 0.05 0.00 0.00 55.36 55.34 2pn5 s GLN 235 Cb -0.11 -3.43 0.04 0.00 1.10 0.00 0.00 33.01 30.61 2pn5 s GLN 235 CO 0.03 0.26 0.47 0.41 -0.55 0.00 0.00 175.29 175.92 2pn5 n GLY 236 N 3.51 1.11 3.41 2.59 0.00 -0.80 -1.48 105.19 113.54 2pn5 n GLY 236 Ca -0.14 -1.06 -0.34 0.00 0.00 0.00 0.00 46.02 44.47 2pn5 n GLY 236 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pn5 s VAL 237 N -2.39 3.54 -0.25 1.61 1.01 -0.80 -0.76 120.40 122.36 2pn5 s VAL 237 Ca 0.10 -0.47 -0.08 0.00 0.00 0.00 0.00 61.98 61.54 2pn5 s VAL 237 Cb -0.02 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.77 2pn5 s VAL 237 CO 0.04 0.47 0.08 0.00 0.00 0.00 0.00 175.10 175.69 2pn5 s ALA 238 N 0.77 3.18 -0.30 5.51 0.00 0.11 -1.57 121.76 129.46 2pn5 s ALA 238 Ca -0.02 -1.15 -0.19 0.00 0.00 0.00 0.00 51.96 50.60 2pn5 s ALA 238 Cb -0.15 -2.11 -0.01 0.00 0.00 0.00 0.00 23.12 20.85 2pn5 s ALA 238 CO 0.02 -0.52 0.56 0.15 0.00 0.00 0.00 175.76 175.97 2pn5 s LYS 239 N 1.62 3.89 -0.20 0.00 1.02 -0.38 -2.16 119.74 123.52 2pn5 s LYS 239 Ca 0.06 0.19 -0.06 0.00 0.02 0.00 0.00 55.97 56.18 2pn5 s LYS 239 Cb -0.15 -3.72 -0.03 0.00 -0.52 0.00 0.00 37.83 33.40 2pn5 s LYS 239 CO 0.04 -0.51 0.04 0.08 -0.92 0.00 0.00 175.35 174.07 2pn5 s VAL 240 N 2.45 4.31 0.02 3.17 1.01 1.00 -1.44 120.40 130.91 2pn5 s VAL 240 Ca 0.22 -0.19 0.08 0.00 0.00 0.00 0.00 61.98 62.09 2pn5 s VAL 240 Cb -0.15 -2.96 -0.02 0.00 0.00 0.00 0.00 36.38 33.24 2pn5 s VAL 240 CO 0.11 0.42 -0.24 -1.61 0.00 0.00 0.00 175.10 173.78 2pn5 s GLU 241 N 0.92 1.78 -0.05 2.72 2.02 0.30 -1.04 118.70 125.35 2pn5 s GLU 241 Ca 0.03 -0.97 0.01 0.00 0.02 0.00 0.00 54.97 54.06 2pn5 s GLU 241 Cb -0.14 -1.84 0.02 0.00 0.10 0.00 0.00 34.13 32.27 2pn5 s GLU 241 CO 0.02 0.49 -0.04 -1.17 0.02 0.00 0.00 175.26 174.58 2pn5 s LEU 242 N -0.93 1.27 -0.20 1.80 0.20 -0.30 -0.66 118.68 119.86 2pn5 s LEU 242 Ca 0.10 -0.13 -0.03 0.00 0.69 0.00 0.00 54.13 54.76 2pn5 s LEU 242 Cb -0.09 -0.46 -0.01 0.00 -0.43 0.00 0.00 46.19 45.20 2pn5 s LEU 242 CO 0.01 -0.07 -0.05 -0.31 -0.29 0.00 0.00 176.35 175.64 2pn5 s TYR 243 N 1.01 2.95 -0.38 5.38 1.51 -0.71 -1.06 117.35 126.05 2pn5 s TYR 243 Ca -0.10 -0.82 -0.05 0.00 -1.01 0.00 0.00 57.07 55.09 2pn5 s TYR 243 Cb -0.14 -2.06 0.07 0.00 -0.11 0.00 0.00 41.96 39.73 2pn5 s TYR 243 CO -0.00 -0.44 0.17 -0.51 -1.11 0.00 0.00 175.55 173.65 2pn5 s LEU 244 N 1.20 4.79 -0.06 -1.29 1.43 -0.61 -4.18 118.68 119.96 2pn5 s LEU 244 Ca 0.02 -1.54 0.15 0.00 -1.03 0.00 0.00 54.13 51.73 2pn5 s LEU 244 Cb -0.14 -1.87 -0.22 0.00 0.03 0.00 0.00 46.19 43.99 2pn5 s LEU 244 CO -0.01 -0.45 0.55 0.47 0.23 0.00 0.00 176.35 177.14 2pn5 n ASP 245 N 4.75 0.65 0.28 2.29 8.00 -1.26 0.13 116.55 131.39 2pn5 n ASP 245 Ca -0.09 0.31 0.15 0.00 0.71 0.00 0.00 54.79 55.86 2pn5 n ASP 245 Cb 0.43 0.26 0.87 0.00 -0.02 0.00 0.00 41.12 42.66 2pn5 n ASP 245 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 2pn5 h ASP 246 N 0.00 0.00 -0.17 -2.24 1.82 -1.96 -2.66 116.42 111.21 2pn5 h ASP 246 Ca -0.32 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.32 2pn5 h ASP 246 Cb 1.97 0.00 0.00 0.00 0.68 0.00 0.00 39.33 41.98 2pn5 h ASP 246 CO 0.06 0.00 0.00 0.47 -1.61 0.00 0.00 179.24 178.16 2pn5 n ASP 247 N -3.93 2.32 -2.22 2.28 10.43 -1.21 -4.98 116.55 119.25 2pn5 n ASP 247 Ca -0.02 -1.77 -0.13 0.00 2.57 0.00 0.00 54.79 55.44 2pn5 n ASP 247 Cb 0.13 -0.11 -0.02 0.00 1.84 0.00 0.00 41.12 42.96 2pn5 n ASP 247 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2pn5 n LYS 248 N 0.31 -2.01 -3.21 -1.24 4.76 -0.94 -4.96 118.16 110.87 2pn5 n LYS 248 Ca 0.07 0.65 -0.26 0.00 -2.87 0.00 0.00 58.31 55.90 2pn5 n LYS 248 Cb 0.32 -5.17 -0.02 0.00 -1.84 0.00 0.00 35.03 28.32 2pn5 n LYS 248 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2pn5 s LEU 249 N -5.24 3.95 -0.24 -0.35 1.43 0.35 -4.97 118.68 113.60 2pn5 s LEU 249 Ca 0.00 0.63 -0.03 0.00 -1.03 0.00 0.00 54.13 53.71 2pn5 s LEU 249 Cb 0.00 -3.50 0.13 0.00 0.03 0.00 0.00 46.19 42.85 2pn5 s LEU 249 CO 0.00 -0.32 0.36 -0.75 0.23 0.00 0.00 176.35 175.87 2pn5 s LYS 250 N -4.16 0.33 -0.01 1.70 2.20 -1.26 -1.58 119.74 116.97 2pn5 s LYS 250 Ca 0.43 0.48 -0.21 0.00 -0.36 0.00 0.00 55.97 56.30 2pn5 s LYS 250 Cb -0.10 -0.57 -0.05 0.00 -1.51 0.00 0.00 37.83 35.59 2pn5 s LYS 250 CO 0.36 -0.66 0.63 -0.51 -0.36 0.00 0.00 175.35 174.81 2pn5 s LEU 251 N 2.52 4.41 0.00 5.43 1.43 -0.23 -4.93 118.68 127.31 2pn5 s LEU 251 Ca 0.12 1.20 0.06 0.00 -1.03 0.00 0.00 54.13 54.48 2pn5 s LEU 251 Cb -0.15 -2.98 -0.02 0.00 0.03 0.00 0.00 46.19 43.07 2pn5 s LEU 251 CO -0.16 0.07 -0.19 -0.54 0.23 0.00 0.00 176.35 175.76 2pn5 s LYS 252 N -0.06 1.43 -0.03 1.70 1.02 -1.26 -1.15 119.74 121.40 2pn5 s LYS 252 Ca 0.33 -0.72 -0.10 0.00 0.02 0.00 0.00 55.97 55.49 2pn5 s LYS 252 Cb -0.18 -1.42 0.02 0.00 -0.52 0.00 0.00 37.83 35.72 2pn5 s LYS 252 CO 0.18 0.38 0.23 0.15 -0.92 0.00 0.00 175.35 175.38 2pn5 s LYS 253 N -0.62 0.50 0.07 1.68 1.02 -0.20 -5.00 119.74 117.19 2pn5 s LYS 253 Ca 0.07 -0.11 0.10 0.00 0.02 0.00 0.00 55.97 56.04 2pn5 s LYS 253 Cb -0.07 0.22 -0.03 0.00 -0.52 0.00 0.00 37.83 37.42 2pn5 s LYS 253 CO -0.00 -0.12 -0.26 -1.21 -0.92 0.00 0.00 175.35 172.84 2pn5 s GLU 254 N -0.94 1.60 -0.06 1.68 2.02 -1.26 -0.00 118.70 121.74 2pn5 s GLU 254 Ca -0.10 -1.17 -0.27 0.00 0.02 0.00 0.00 54.97 53.45 2pn5 s GLU 254 Cb -0.05 -1.88 0.06 0.00 0.10 0.00 0.00 34.13 32.36 2pn5 s GLU 254 CO 0.02 0.47 0.59 -0.48 0.02 0.00 0.00 175.26 175.89 2pn5 s LEU 255 N -1.53 -0.30 0.06 1.80 2.34 -0.92 -4.99 118.68 115.14 2pn5 s LEU 255 Ca 0.12 0.62 -0.30 0.00 0.06 0.00 0.00 54.13 54.63 2pn5 s LEU 255 Cb -0.10 2.23 -0.05 0.00 -0.56 0.00 0.00 46.19 47.71 2pn5 s LEU 255 CO 0.03 -0.54 1.06 -0.89 -1.06 0.00 0.00 176.35 174.95 2pn5 s THR 256 N -1.10 4.44 -0.14 5.48 2.01 -1.26 -0.71 115.64 124.37 2pn5 s THR 256 Ca -0.11 1.83 0.02 0.00 0.31 0.00 0.00 61.69 63.75 2pn5 s THR 256 Cb -0.02 -4.17 0.01 0.00 0.01 0.00 0.00 72.50 68.33 2pn5 s THR 256 CO 0.08 0.19 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.29 2pn5 s VAL 257 N 0.70 2.12 -1.00 3.82 1.01 0.06 -4.95 120.40 122.17 2pn5 s VAL 257 Ca 0.53 -0.96 -0.07 0.00 0.00 0.00 0.00 61.98 61.47 2pn5 s VAL 257 Cb -0.25 -1.85 0.25 0.00 0.00 0.00 0.00 36.38 34.53 2pn5 s VAL 257 CO 0.30 0.55 0.95 -0.31 0.00 0.00 0.00 175.10 176.58 2pn5 s TYR 258 N 0.77 4.07 0.00 5.22 1.51 -1.26 -1.90 117.35 125.77 2pn5 s TYR 258 Ca -0.08 -2.70 0.00 0.00 -1.01 0.00 0.00 57.07 53.28 2pn5 s TYR 258 Cb -0.16 -3.65 0.00 0.00 -0.11 0.00 0.00 41.96 38.05 2pn5 s TYR 258 CO -0.01 -0.89 0.00 0.41 -1.11 0.00 0.00 175.55 173.95 2pn5 n GLY 259 N 2.78 1.16 2.88 0.71 0.00 0.17 -3.88 105.19 109.01 2pn5 n GLY 259 Ca 0.21 -0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.09 2pn5 n GLY 259 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pn5 s LYS 260 N 0.00 0.05 0.06 1.61 2.20 -1.26 -0.53 119.74 121.86 2pn5 s LYS 260 Ca 0.00 0.22 -0.03 0.00 -0.36 0.00 0.00 55.97 55.80 2pn5 s LYS 260 Cb 0.00 -0.13 -0.03 0.00 -1.51 0.00 0.00 37.83 36.16 2pn5 s LYS 260 CO 0.00 -0.11 0.02 0.20 -0.36 0.00 0.00 175.35 175.10 2pn5 s GLY 261 N 0.75 0.38 0.05 5.54 0.00 0.04 -1.80 107.32 112.29 2pn5 s GLY 261 Ca -0.06 -1.06 0.09 0.00 0.00 0.00 0.00 44.72 43.68 2pn5 s GLY 261 CO -0.03 -1.19 -0.23 1.20 0.00 0.00 0.00 173.10 172.85 2pn5 s GLN 262 N -3.84 1.87 -0.10 2.90 -1.52 -1.26 -1.09 119.66 116.61 2pn5 s GLN 262 Ca 0.06 -1.09 -0.05 0.00 -1.95 0.00 0.00 55.36 52.33 2pn5 s GLN 262 Cb 0.07 -2.06 0.04 0.00 -0.22 0.00 0.00 33.01 30.84 2pn5 s GLN 262 CO -0.10 0.52 0.23 0.54 -0.25 0.00 0.00 175.29 176.23 2pn5 s VAL 263 N -0.89 -0.04 -0.20 1.09 0.11 -0.29 -4.98 120.40 115.20 2pn5 s VAL 263 Ca 0.13 0.14 -0.06 0.00 -2.93 0.00 0.00 61.98 59.26 2pn5 s VAL 263 Cb -0.10 -0.36 -0.03 0.00 -1.53 0.00 0.00 36.38 34.35 2pn5 s VAL 263 CO 0.04 0.06 0.04 -0.70 -3.33 0.00 0.00 175.10 171.21 2pn5 s GLU 264 N 1.16 3.77 -0.19 1.54 2.12 -1.26 0.17 118.70 126.02 2pn5 s GLU 264 Ca -0.09 -0.44 -0.02 0.00 0.36 0.00 0.00 54.97 54.78 2pn5 s GLU 264 Cb -0.10 -3.18 -0.01 0.00 0.26 0.00 0.00 34.13 31.11 2pn5 s GLU 264 CO -0.08 0.08 -0.08 -0.51 -0.54 0.00 0.00 175.26 174.13 2pn5 s LEU 265 N 0.86 2.78 -0.21 2.70 1.43 0.53 -4.98 118.68 121.79 2pn5 s LEU 265 Ca 0.02 -0.39 -0.10 0.00 -1.03 0.00 0.00 54.13 52.63 2pn5 s LEU 265 Cb -0.14 -1.68 -0.05 0.00 0.03 0.00 0.00 46.19 44.35 2pn5 s LEU 265 CO 0.02 0.04 0.13 -0.13 0.23 0.00 0.00 176.35 176.64 2pn5 s ARG 266 N 1.13 4.11 0.62 1.70 0.52 -1.26 -0.12 118.95 125.64 2pn5 s ARG 266 Ca 0.01 -0.26 -0.10 0.00 -0.52 0.00 0.00 55.73 54.86 2pn5 s ARG 266 Cb -0.14 -3.44 -0.03 0.00 0.52 0.00 0.00 34.95 31.85 2pn5 s ARG 266 CO -0.02 0.19 1.01 -0.06 0.02 0.00 0.00 175.30 176.45 2pn5 s PHE 267 N 0.66 3.57 0.00 -0.53 2.99 0.19 -4.96 117.98 119.90 2pn5 s PHE 267 Ca 0.07 1.19 0.00 0.00 0.00 0.00 0.00 56.93 58.19 2pn5 s PHE 267 Cb -0.12 -2.72 0.00 0.00 0.00 0.00 0.00 43.02 40.18 2pn5 s PHE 267 CO 0.01 -0.71 0.00 -3.47 -0.00 0.00 0.00 175.22 171.05 2pn5 n ASP 268 N -2.73 0.00 -4.29 1.36 -0.08 -1.26 -4.82 116.55 104.73 2pn5 n ASP 268 Ca 0.05 0.00 -0.45 0.00 -1.51 0.00 0.00 54.79 52.89 2pn5 n ASP 268 Cb 0.55 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.01 2pn5 n ASP 268 CO 0.00 0.00 0.00 -3.20 0.12 0.00 0.00 177.20 174.12 2pn5 n ASN 269 N 0.00 5.66 -4.52 1.67 5.15 -1.26 -5.00 115.26 116.96 2pn5 n ASN 269 Ca 0.00 -3.10 -0.43 0.00 -0.60 0.00 0.00 54.58 50.45 2pn5 n ASN 269 Cb 0.00 -1.37 -0.05 0.00 -0.53 0.00 0.00 39.78 37.83 2pn5 n ASN 269 CO 0.00 0.00 0.00 0.12 1.40 0.00 0.00 177.26 178.78 2pn5 s PHE 270 N -1.47 2.97 -0.20 1.20 5.36 -1.26 -4.99 117.98 119.58 2pn5 s PHE 270 Ca 0.31 -0.03 -0.02 0.00 -0.96 0.00 0.00 56.93 56.23 2pn5 s PHE 270 Cb -0.07 -3.68 0.06 0.00 -0.34 0.00 0.00 43.02 38.98 2pn5 s PHE 270 CO -0.05 -1.06 0.02 0.00 -1.46 0.00 0.00 175.22 172.67 2pn5 s ALA 271 N 3.26 1.15 0.37 11.12 0.00 -1.26 -4.96 121.76 131.44 2pn5 s ALA 271 Ca 0.26 -0.80 -0.25 0.00 0.00 0.00 0.00 51.96 51.17 2pn5 s ALA 271 Cb -0.14 -1.22 -0.09 0.00 0.00 0.00 0.00 23.12 21.67 2pn5 s ALA 271 CO 0.19 -1.18 1.04 -1.64 0.00 0.00 0.00 175.76 174.17 2pn5 s MET 272 N 1.79 4.30 0.16 0.00 1.00 -1.26 -4.96 119.30 120.32 2pn5 s MET 272 Ca -0.02 1.52 -0.01 0.00 0.00 0.00 0.00 55.69 57.18 2pn5 s MET 272 Cb -0.17 -2.67 -0.00 0.00 0.00 0.00 0.00 34.83 31.99 2pn5 s MET 272 CO -0.08 -0.02 1.38 -0.44 0.00 0.00 0.00 175.02 175.86 2pn5 h ASP 273 N 2.78 0.40 -2.80 3.03 3.32 -2.00 -3.46 116.42 117.68 2pn5 h ASP 273 Ca -0.48 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.27 2pn5 h ASP 273 Cb 1.21 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.64 2pn5 h ASP 273 CO 0.63 1.08 0.00 0.00 -1.72 0.00 0.00 179.24 179.23 2pn5 n ALA 274 N -2.50 0.00 1.32 3.45 0.00 -1.26 -5.02 120.51 116.50 2pn5 n ALA 274 Ca -0.05 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.53 2pn5 n ALA 274 Cb 0.78 0.00 0.61 0.00 0.00 0.00 0.00 19.45 20.84 2pn5 n ALA 274 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2pn5 n ASP 275 N -1.29 0.32 -3.78 0.00 10.43 -1.26 -4.87 116.55 116.10 2pn5 n ASP 275 Ca 0.00 -0.31 -0.13 0.00 2.57 0.00 0.00 54.79 56.92 2pn5 n ASP 275 Cb 0.00 -0.14 -0.11 0.00 1.84 0.00 0.00 41.12 42.71 2pn5 n ASP 275 CO 0.00 0.00 0.00 -1.10 -1.07 0.00 0.00 177.20 175.03 2pn5 s GLN 276 N -2.62 0.35 -0.10 -1.24 -0.21 -1.26 -0.79 119.66 113.80 2pn5 s GLN 276 Ca 0.25 0.33 -0.05 0.00 0.02 0.00 0.00 55.36 55.91 2pn5 s GLN 276 Cb 0.20 0.17 0.04 0.00 1.00 0.00 0.00 33.01 34.42 2pn5 s GLN 276 CO 0.50 -0.05 0.22 -1.14 -2.12 0.00 0.00 175.29 172.70 2pn5 s GLN 277 N 0.00 0.18 -0.16 2.91 0.74 -0.48 -4.90 119.66 117.96 2pn5 s GLN 277 Ca -0.01 0.49 -0.20 0.00 0.05 0.00 0.00 55.36 55.69 2pn5 s GLN 277 Cb -0.02 -0.14 -0.03 0.00 1.10 0.00 0.00 33.01 33.92 2pn5 s GLN 277 CO 0.01 -0.17 0.59 -0.51 -0.55 0.00 0.00 175.29 174.66 2pn5 s ASP 278 N 1.25 6.71 -0.19 6.67 -0.00 -1.26 -0.44 116.67 129.41 2pn5 s ASP 278 Ca -0.09 0.86 -0.01 0.00 -0.00 0.00 0.00 52.55 53.31 2pn5 s ASP 278 Cb -0.11 -2.34 0.01 0.00 -0.00 0.00 0.00 42.92 40.49 2pn5 s ASP 278 CO -0.08 -0.17 -0.14 -0.69 -0.00 0.00 0.00 175.17 174.09 2pn5 s VAL 279 N 1.40 2.61 0.09 -1.27 1.01 0.71 -4.90 120.40 120.05 2pn5 s VAL 279 Ca 0.29 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 61.21 2pn5 s VAL 279 Cb -0.16 -2.14 -0.06 0.00 0.00 0.00 0.00 36.38 34.02 2pn5 s VAL 279 CO 0.11 0.49 1.13 -2.16 0.00 0.00 0.00 175.10 174.68 2pn5 s PRO 280 N 1.34 4.51 -0.03 2.72 0.04 -1.26 -0.27 135.00 142.05 2pn5 s PRO 280 Ca 0.05 1.70 0.07 0.00 0.04 0.00 0.00 61.00 62.85 2pn5 s PRO 280 Cb -0.14 -3.34 -0.02 0.00 0.04 0.00 0.00 34.50 31.04 2pn5 s PRO 280 CO -0.08 -0.10 -0.22 0.08 0.04 0.00 0.00 177.00 176.71 2pn5 s VAL 281 N 0.58 2.40 -0.08 -0.36 1.01 0.22 -1.73 120.40 122.44 2pn5 s VAL 281 Ca 0.54 -1.00 0.04 0.00 0.00 0.00 0.00 61.98 61.56 2pn5 s VAL 281 Cb -0.28 -1.88 0.00 0.00 0.00 0.00 0.00 36.38 34.22 2pn5 s VAL 281 CO 0.31 0.57 -0.19 -0.75 0.00 0.00 0.00 175.10 175.04 2pn5 s LYS 282 N -0.70 2.38 -0.19 2.72 2.20 0.17 -1.88 119.74 124.44 2pn5 s LYS 282 Ca 0.11 -0.69 0.01 0.00 -0.36 0.00 0.00 55.97 55.04 2pn5 s LYS 282 Cb -0.10 -1.88 0.03 0.00 -1.51 0.00 0.00 37.83 34.36 2pn5 s LYS 282 CO -0.00 0.15 -0.18 0.08 -0.36 0.00 0.00 175.35 175.04 2pn5 s VAL 283 N 0.38 2.03 -0.34 4.02 1.01 0.30 -0.54 120.40 127.25 2pn5 s VAL 283 Ca -0.14 -1.05 -0.12 0.00 0.00 0.00 0.00 61.98 60.66 2pn5 s VAL 283 Cb -0.16 -1.91 -0.01 0.00 0.00 0.00 0.00 36.38 34.30 2pn5 s VAL 283 CO 0.06 0.41 0.23 -0.44 0.00 0.00 0.00 175.10 175.36 2pn5 s SER 284 N 1.27 5.96 -0.39 3.32 0.01 -0.52 -0.72 113.70 122.63 2pn5 s SER 284 Ca 0.02 -0.52 -0.13 0.00 1.31 0.00 0.00 55.95 56.63 2pn5 s SER 284 Cb -0.14 -2.11 0.02 0.00 0.21 0.00 0.00 66.02 64.00 2pn5 s SER 284 CO -0.11 -0.26 0.25 0.12 0.41 0.00 0.00 173.24 173.65 2pn5 s PHE 285 N 1.69 3.24 -0.42 2.43 5.36 0.49 -1.25 117.98 129.51 2pn5 s PHE 285 Ca 0.05 -0.75 -0.17 0.00 -0.96 0.00 0.00 56.93 55.11 2pn5 s PHE 285 Cb -0.18 -2.51 0.02 0.00 -0.34 0.00 0.00 43.02 40.02 2pn5 s PHE 285 CO 0.09 -0.60 0.41 0.08 -1.46 0.00 0.00 175.22 173.74 2pn5 s VAL 286 N 1.62 5.13 0.55 3.12 1.01 -0.61 -1.20 120.40 130.02 2pn5 s VAL 286 Ca 0.04 -0.47 -0.22 0.00 0.00 0.00 0.00 61.98 61.33 2pn5 s VAL 286 Cb -0.19 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 2pn5 s VAL 286 CO 0.08 -0.42 1.36 -0.70 0.00 0.00 0.00 175.10 175.42 2pn5 s GLU 287 N 2.02 3.13 0.01 2.72 2.12 0.61 -1.90 118.70 127.42 2pn5 s GLU 287 Ca 0.10 2.23 -0.03 0.00 0.36 0.00 0.00 54.97 57.64 2pn5 s GLU 287 Cb -0.18 -2.25 -0.01 0.00 0.26 0.00 0.00 34.13 31.95 2pn5 s GLU 287 CO 0.12 -1.20 1.05 0.37 -0.54 0.00 0.00 175.26 175.07 2pn5 h GLN 288 N 1.45 -0.05 0.02 4.30 4.15 -1.60 -1.12 115.11 122.26 2pn5 h GLN 288 Ca -0.51 0.00 -0.39 0.00 0.77 0.00 0.00 58.65 58.53 2pn5 h GLN 288 Cb 1.30 0.01 -0.06 0.00 0.21 0.00 0.00 27.48 28.94 2pn5 h GLN 288 CO 0.57 -0.03 -2.42 0.66 -1.93 0.00 0.00 178.83 175.68 2pn5 n TYR 289 N -2.85 0.15 0.25 3.99 4.01 -1.26 -4.16 117.16 117.29 2pn5 n TYR 289 Ca -0.00 0.03 0.07 0.00 -0.16 0.00 0.00 57.90 57.84 2pn5 n TYR 289 Cb 0.03 -1.02 0.60 0.00 -0.31 0.00 0.00 39.34 38.65 2pn5 n TYR 289 CO 0.00 0.00 0.00 1.79 -0.46 0.00 0.00 176.86 178.19 2pn5 h THR 290 N -0.00 1.03 -0.76 -0.72 1.35 -1.92 -3.47 112.91 108.43 2pn5 h THR 290 Ca -0.56 -0.19 -0.32 0.00 -0.55 0.00 0.00 66.41 64.78 2pn5 h THR 290 Cb 1.91 1.10 -0.13 0.00 -1.73 0.00 0.00 68.15 69.31 2pn5 h THR 290 CO -0.07 0.05 -0.29 0.59 -0.25 0.00 0.00 175.52 175.55 2pn5 n ASN 291 N -4.46 -5.48 -4.65 5.36 3.02 -0.42 -4.95 115.26 103.67 2pn5 n ASN 291 Ca -0.03 0.39 -0.43 0.00 -0.03 0.00 0.00 54.58 54.48 2pn5 n ASN 291 Cb 0.14 -4.37 -0.03 0.00 -0.61 0.00 0.00 39.78 34.90 2pn5 n ASN 291 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 2pn5 n ARG 292 N -1.79 2.65 -3.94 3.52 0.63 -1.26 -4.55 116.66 111.93 2pn5 n ARG 292 Ca -0.16 0.95 -0.35 0.00 -0.92 0.00 0.00 57.85 57.37 2pn5 n ARG 292 Cb 0.62 -2.98 -0.09 0.00 0.45 0.00 0.00 32.46 30.45 2pn5 n ARG 292 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 2pn5 s THR 293 N 4.94 4.95 -0.06 5.15 2.01 -1.26 -0.28 115.64 131.09 2pn5 s THR 293 Ca 0.91 0.02 0.05 0.00 0.31 0.00 0.00 61.69 62.99 2pn5 s THR 293 Cb -0.46 -3.24 -0.01 0.00 0.01 0.00 0.00 72.50 68.80 2pn5 s THR 293 CO 0.43 0.46 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.91 2pn5 s VAL 294 N 0.34 1.81 -0.12 3.82 1.01 -0.34 -4.98 120.40 121.94 2pn5 s VAL 294 Ca 0.04 -0.92 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 2pn5 s VAL 294 Cb -0.12 -1.54 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 2pn5 s VAL 294 CO -0.00 0.51 -0.12 -0.69 0.00 0.00 0.00 175.10 174.80 2pn5 s VAL 295 N -0.02 3.18 -0.05 2.92 1.01 -1.26 -0.38 120.40 125.80 2pn5 s VAL 295 Ca -0.05 -0.63 0.03 0.00 0.00 0.00 0.00 61.98 61.33 2pn5 s VAL 295 Cb -0.13 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.92 2pn5 s VAL 295 CO 0.04 0.53 -0.13 -0.75 0.00 0.00 0.00 175.10 174.79 2pn5 s LYS 296 N 0.18 1.55 0.06 2.72 2.47 0.10 -4.99 119.74 121.82 2pn5 s LYS 296 Ca -0.07 -0.43 0.09 0.00 -1.56 0.00 0.00 55.97 54.00 2pn5 s LYS 296 Cb -0.15 -1.32 -0.03 0.00 -1.46 0.00 0.00 37.83 34.87 2pn5 s LYS 296 CO 0.05 0.10 -0.24 -0.65 0.16 0.00 0.00 175.35 174.76 2pn5 s GLN 297 N 0.42 1.55 0.19 4.03 -0.21 -1.26 -0.54 119.66 123.83 2pn5 s GLN 297 Ca -0.09 -1.08 -0.16 0.00 0.02 0.00 0.00 55.36 54.05 2pn5 s GLN 297 Cb -0.13 -1.74 0.02 0.00 1.00 0.00 0.00 33.01 32.15 2pn5 s GLN 297 CO 0.03 0.44 0.48 -1.54 -2.12 0.00 0.00 175.29 172.58 2pn5 s SER 298 N -1.36 -0.20 -0.26 5.90 1.04 -0.79 -5.01 113.70 113.03 2pn5 s SER 298 Ca 0.10 -0.57 -0.12 0.00 0.48 0.00 0.00 55.95 55.84 2pn5 s SER 298 Cb -0.10 0.56 -0.05 0.00 0.10 0.00 0.00 66.02 66.53 2pn5 s SER 298 CO 0.03 -1.03 0.24 -1.10 0.98 0.00 0.00 173.24 172.35 2pn5 s GLN 299 N -3.90 4.03 -0.26 4.02 -1.52 -1.26 -0.61 119.66 120.16 2pn5 s GLN 299 Ca 0.11 -0.17 -0.08 0.00 -1.95 0.00 0.00 55.36 53.27 2pn5 s GLN 299 Cb -0.00 -3.61 -0.02 0.00 -0.22 0.00 0.00 33.01 29.16 2pn5 s GLN 299 CO -0.02 -0.11 0.08 0.42 -0.25 0.00 0.00 175.29 175.42 2pn5 s ILE 300 N 1.55 4.30 -0.11 1.08 1.01 0.63 -4.87 121.20 124.78 2pn5 s ILE 300 Ca 0.10 -0.27 -0.27 0.00 0.00 0.00 0.00 60.65 60.21 2pn5 s ILE 300 Cb -0.15 -3.06 -0.02 0.00 0.01 0.00 0.00 42.46 39.24 2pn5 s ILE 300 CO 0.08 0.27 0.88 -0.89 0.00 0.00 0.00 174.94 175.28 2pn5 s THR 301 N 1.60 4.88 -0.17 2.92 2.01 -1.26 -0.21 115.64 125.42 2pn5 s THR 301 Ca 0.06 1.77 -0.12 0.00 0.31 0.00 0.00 61.69 63.71 2pn5 s THR 301 Cb -0.16 -4.19 -0.05 0.00 0.01 0.00 0.00 72.50 68.11 2pn5 s THR 301 CO 0.04 0.08 0.23 -0.69 -0.69 0.00 0.00 174.62 173.59 2pn5 s VAL 302 N 1.71 5.35 -0.03 3.82 1.01 0.42 -4.41 120.40 128.27 2pn5 s VAL 302 Ca 0.43 0.41 0.03 0.00 0.00 0.00 0.00 61.98 62.86 2pn5 s VAL 302 Cb -0.18 -3.56 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 2pn5 s VAL 302 CO 0.17 0.43 -0.12 -0.31 0.00 0.00 0.00 175.10 175.27 2pn5 s TYR 303 N 0.29 2.77 0.13 5.22 1.51 -0.05 -1.38 117.35 125.85 2pn5 s TYR 303 Ca 0.14 -0.11 -0.11 0.00 -1.01 0.00 0.00 57.07 55.98 2pn5 s TYR 303 Cb -0.12 -1.62 -0.08 0.00 -0.11 0.00 0.00 41.96 40.03 2pn5 s TYR 303 CO 0.02 0.27 1.40 -0.09 -1.11 0.00 0.00 175.55 176.04 2pn5 h ARG 304 N 5.02 0.84 -6.42 -0.62 2.43 -1.27 -1.10 114.38 113.25 2pn5 h ARG 304 Ca -0.48 -0.55 -0.63 0.00 -0.81 0.00 0.00 59.98 57.51 2pn5 h ARG 304 Cb 1.16 0.07 -0.16 0.00 -0.42 0.00 0.00 29.97 30.62 2pn5 h ARG 304 CO 0.51 1.18 -0.78 0.71 -1.51 0.00 0.00 179.97 180.08 2pn5 s TYR 305 N -4.05 2.34 -2.14 2.20 1.51 -1.26 -4.61 117.35 111.34 2pn5 s TYR 305 Ca -0.10 -0.33 0.22 0.00 -1.01 0.00 0.00 57.07 55.85 2pn5 s TYR 305 Cb 0.10 -1.10 1.09 0.00 -0.11 0.00 0.00 41.96 41.95 2pn5 s TYR 305 CO 0.89 0.59 1.73 0.00 -1.11 0.00 0.00 175.55 177.65 2pn5 n ALA 306 N -0.15 2.59 -2.27 3.71 0.00 -1.26 -4.85 120.51 118.27 2pn5 n ALA 306 Ca -0.09 -0.29 -0.08 0.00 0.00 0.00 0.00 53.44 52.98 2pn5 n ALA 306 Cb 0.58 -1.25 -0.09 0.00 0.00 0.00 0.00 19.45 18.69 2pn5 n ALA 306 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2pn5 s TYR 307 N -1.93 0.47 0.04 0.00 1.13 -1.26 -4.19 117.35 111.60 2pn5 s TYR 307 Ca 0.33 -0.94 0.03 0.00 -1.41 0.00 0.00 57.07 55.08 2pn5 s TYR 307 Cb 0.16 -0.29 -0.02 0.00 -1.10 0.00 0.00 41.96 40.71 2pn5 s TYR 307 CO 0.26 -0.47 -0.10 -0.98 -2.51 0.00 0.00 175.55 171.75 2pn5 s ARG 308 N -3.93 0.65 -0.06 -3.49 1.70 -0.07 -4.98 118.95 108.78 2pn5 s ARG 308 Ca 0.10 -0.74 0.05 0.00 -0.47 0.00 0.00 55.73 54.66 2pn5 s ARG 308 Cb 0.07 -0.53 -0.02 0.00 -0.57 0.00 0.00 34.95 33.89 2pn5 s ARG 308 CO -0.08 0.12 -0.19 0.08 -1.08 0.00 0.00 175.30 174.15 2pn5 s VAL 309 N -1.14 2.59 0.11 4.99 1.01 -1.26 -1.50 120.40 125.20 2pn5 s VAL 309 Ca -0.05 -0.88 0.06 0.00 0.00 0.00 0.00 61.98 61.10 2pn5 s VAL 309 Cb -0.09 -1.99 -0.03 0.00 0.00 0.00 0.00 36.38 34.27 2pn5 s VAL 309 CO 0.01 0.57 -0.14 -1.83 0.00 0.00 0.00 175.10 173.71 2pn5 s GLU 310 N -0.40 0.97 -0.28 2.72 -1.05 -0.61 -4.96 118.70 115.09 2pn5 s GLU 310 Ca 0.04 -1.15 -0.19 0.00 -0.15 0.00 0.00 54.97 53.52 2pn5 s GLU 310 Cb -0.12 -0.91 -0.02 0.00 -0.44 0.00 0.00 34.13 32.64 2pn5 s GLU 310 CO 0.02 0.18 0.56 -1.17 0.95 0.00 0.00 175.26 175.80 2pn5 s LEU 311 N -2.21 4.10 -0.25 1.83 2.96 -1.26 -0.24 118.68 123.60 2pn5 s LEU 311 Ca 0.06 0.48 -0.08 0.00 -0.22 0.00 0.00 54.13 54.37 2pn5 s LEU 311 Cb -0.07 -2.71 -0.03 0.00 0.50 0.00 0.00 46.19 43.88 2pn5 s LEU 311 CO 0.03 -0.36 0.08 -0.63 -1.32 0.00 0.00 176.35 174.15 2pn5 s ILE 312 N 2.41 4.45 0.07 6.68 1.01 -0.16 -4.98 121.20 130.68 2pn5 s ILE 312 Ca 0.22 -0.12 0.06 0.00 0.00 0.00 0.00 60.65 60.81 2pn5 s ILE 312 Cb -0.15 -3.08 -0.04 0.00 0.01 0.00 0.00 42.46 39.19 2pn5 s ILE 312 CO 0.10 0.34 -0.11 -0.54 0.00 0.00 0.00 174.94 174.73 2pn5 s LYS 313 N 1.55 2.21 0.29 2.79 1.02 -1.26 -0.92 119.74 125.43 2pn5 s LYS 313 Ca 0.06 -0.95 0.05 0.00 0.02 0.00 0.00 55.97 55.15 2pn5 s LYS 313 Cb -0.15 -2.32 0.46 0.00 -0.52 0.00 0.00 37.83 35.29 2pn5 s LYS 313 CO 0.04 0.54 1.73 1.05 -0.92 0.00 0.00 175.35 177.79 2pn5 h GLU 314 N 4.01 0.37 -2.86 1.68 4.11 -1.51 -3.44 114.58 116.94 2pn5 h GLU 314 Ca -0.49 -0.15 -0.11 0.00 0.07 0.00 0.00 59.36 58.69 2pn5 h GLU 314 Cb 1.16 -0.02 -0.20 0.00 0.50 0.00 0.00 28.75 30.19 2pn5 h GLU 314 CO 0.51 0.64 -0.21 -1.54 0.07 0.00 0.00 179.01 178.49 2pn5 s SER 315 N -6.84 -0.28 0.43 3.06 1.04 -1.26 -5.07 113.70 104.77 2pn5 s SER 315 Ca -0.06 0.27 0.13 0.00 0.48 0.00 0.00 55.95 56.77 2pn5 s SER 315 Cb 0.14 0.41 1.00 0.00 0.10 0.00 0.00 66.02 67.67 2pn5 s SER 315 CO 0.78 -0.43 1.99 -0.65 0.98 0.00 0.00 173.24 175.92 2pn5 h PRO 316 N 3.97 0.42 -5.44 4.02 0.11 -1.95 -3.41 132.00 129.72 2pn5 h PRO 316 Ca -0.29 -0.03 -0.42 0.00 0.11 0.00 0.00 66.00 65.38 2pn5 h PRO 316 Cb 1.17 -0.09 -0.15 0.00 0.11 0.00 0.00 31.00 32.03 2pn5 h PRO 316 CO 0.38 0.28 -0.74 -0.65 -0.21 0.00 0.00 178.00 177.06 2pn5 s GLN 317 N -5.41 1.20 0.31 1.05 1.11 -1.26 -4.66 119.66 112.01 2pn5 s GLN 317 Ca -0.08 -1.48 0.04 0.00 0.01 0.00 0.00 55.36 53.85 2pn5 s GLN 317 Cb 0.19 -0.97 -0.02 0.00 -1.01 0.00 0.00 33.01 31.20 2pn5 s GLN 317 CO 0.75 0.16 0.47 -0.59 0.01 0.00 0.00 175.29 176.08 2pn5 s PHE 318 N -2.84 3.36 -0.32 0.91 -0.71 -0.49 -4.73 117.98 113.16 2pn5 s PHE 318 Ca 0.18 0.05 -0.10 0.00 -1.04 0.00 0.00 56.93 56.03 2pn5 s PHE 318 Cb -0.01 -1.83 0.00 0.00 -1.21 0.00 0.00 43.02 39.97 2pn5 s PHE 318 CO 0.05 0.17 0.16 1.03 -1.34 0.00 0.00 175.22 175.28 2pn5 s ARG 319 N -4.17 3.20 0.32 1.99 0.52 -1.26 -0.58 118.95 118.96 2pn5 s ARG 319 Ca 0.40 -0.81 0.27 0.00 -0.52 0.00 0.00 55.73 55.06 2pn5 s ARG 319 Cb -0.09 -3.59 1.05 0.00 0.52 0.00 0.00 34.95 32.84 2pn5 s ARG 319 CO 0.32 -0.48 1.02 -2.30 0.02 0.00 0.00 175.30 173.88 2pn5 n PRO 320 N 4.97 -0.01 -0.01 3.54 -0.02 -1.26 -0.85 135.00 141.36 2pn5 n PRO 320 Ca -0.13 0.76 0.02 0.00 -2.02 0.00 0.00 63.50 62.12 2pn5 n PRO 320 Cb 0.48 -1.62 0.02 0.00 -0.02 0.00 0.00 33.50 32.37 2pn5 n PRO 320 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2pn5 n GLY 321 N -1.46 0.09 3.61 -1.23 0.00 -1.26 -1.91 105.19 103.04 2pn5 n GLY 321 Ca 0.28 -0.09 -0.25 0.00 0.00 0.00 0.00 46.02 45.96 2pn5 n GLY 321 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pn5 s LEU 322 N -0.48 3.09 0.52 0.99 1.43 -0.03 -4.87 118.68 119.32 2pn5 s LEU 322 Ca 0.04 -0.63 -0.22 0.00 -1.03 0.00 0.00 54.13 52.30 2pn5 s LEU 322 Cb 0.03 -1.67 -0.06 0.00 0.03 0.00 0.00 46.19 44.52 2pn5 s LEU 322 CO 0.04 0.05 1.24 -2.16 0.23 0.00 0.00 176.35 175.75 2pn5 s PRO 323 N -3.32 3.37 -0.15 1.29 0.04 -1.26 -4.32 135.00 130.64 2pn5 s PRO 323 Ca 0.29 1.95 0.00 0.00 0.04 0.00 0.00 61.00 63.28 2pn5 s PRO 323 Cb -0.07 -2.25 0.03 0.00 0.04 0.00 0.00 34.50 32.25 2pn5 s PRO 323 CO 0.18 -0.92 -0.12 0.12 0.04 0.00 0.00 177.00 176.29 2pn5 s PHE 324 N -1.47 2.10 -0.20 0.56 5.36 -0.35 -4.90 117.98 119.08 2pn5 s PHE 324 Ca 0.69 -1.22 -0.11 0.00 -0.96 0.00 0.00 56.93 55.33 2pn5 s PHE 324 Cb -0.33 -1.54 -0.05 0.00 -0.34 0.00 0.00 43.02 40.76 2pn5 s PHE 324 CO 0.39 -0.66 0.16 0.15 -1.46 0.00 0.00 175.22 173.80 2pn5 s LYS 325 N 1.51 4.18 0.33 10.12 1.02 -1.26 -1.18 119.74 134.45 2pn5 s LYS 325 Ca 0.04 -0.18 -0.15 0.00 0.02 0.00 0.00 55.97 55.69 2pn5 s LYS 325 Cb -0.14 -3.45 0.03 0.00 -0.52 0.00 0.00 37.83 33.76 2pn5 s LYS 325 CO -0.10 0.24 0.69 0.00 -0.92 0.00 0.00 175.35 175.26 2pn5 s ALA 327 N -3.14 -0.77 -0.34 0.00 0.00 -0.10 -0.07 121.76 117.35 2pn5 s ALA 327 Ca 0.17 0.59 -0.23 0.00 0.00 0.00 0.00 51.96 52.49 2pn5 s ALA 327 Cb -0.04 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.86 2pn5 s ALA 327 CO 0.11 -0.20 0.76 -0.51 0.00 0.00 0.00 175.76 175.91 2pn5 s LEU 328 N -0.58 4.13 -0.35 0.00 1.43 -0.63 -0.99 118.68 121.69 2pn5 s LEU 328 Ca -0.07 0.45 -0.16 0.00 -1.03 0.00 0.00 54.13 53.32 2pn5 s LEU 328 Cb -0.04 -3.00 -0.01 0.00 0.03 0.00 0.00 46.19 43.17 2pn5 s LEU 328 CO 0.02 -0.66 0.39 -1.58 0.23 0.00 0.00 176.35 174.76 2pn5 s GLN 329 N 2.98 3.56 -0.18 1.70 0.74 0.66 -1.62 119.66 127.50 2pn5 s GLN 329 Ca 0.31 -0.38 -0.12 0.00 0.05 0.00 0.00 55.36 55.22 2pn5 s GLN 329 Cb -0.14 -3.81 -0.05 0.00 1.10 0.00 0.00 33.01 30.11 2pn5 s GLN 329 CO 0.15 -0.56 0.21 -0.06 -0.55 0.00 0.00 175.29 174.48 2pn5 s PHE 330 N 2.09 3.43 0.03 1.67 0.08 0.15 -1.58 117.98 123.85 2pn5 s PHE 330 Ca 0.13 0.45 0.01 0.00 0.12 0.00 0.00 56.93 57.63 2pn5 s PHE 330 Cb -0.16 -2.25 -0.02 0.00 -0.57 0.00 0.00 43.02 40.01 2pn5 s PHE 330 CO 0.12 0.25 -0.05 0.95 -0.10 0.00 0.00 175.22 176.39 2pn5 s THR 331 N 0.46 0.31 0.97 0.64 -4.23 -0.56 -1.85 115.64 111.37 2pn5 s THR 331 Ca 0.12 -1.06 -0.13 0.00 -1.18 0.00 0.00 61.69 59.44 2pn5 s THR 331 Cb -0.12 -0.52 0.17 0.00 1.34 0.00 0.00 72.50 73.37 2pn5 s THR 331 CO 0.01 -0.49 1.12 -1.00 -0.54 0.00 0.00 174.62 173.72 2pn5 s HIS 332 N -1.64 2.23 -2.00 3.99 3.76 0.12 -0.89 115.29 120.85 2pn5 s HIS 332 Ca -0.11 0.86 0.25 0.00 -0.15 0.00 0.00 55.06 55.91 2pn5 s HIS 332 Cb -0.08 -3.37 1.51 0.00 1.11 0.00 0.00 32.58 31.74 2pn5 s HIS 332 CO -0.01 -2.67 1.87 0.72 -0.85 0.00 0.00 174.74 173.79 2pn5 n HIS 333 N -3.99 0.00 -0.05 1.40 8.25 -1.26 -1.83 115.22 117.74 2pn5 n HIS 333 Ca 0.06 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.64 2pn5 n HIS 333 Cb 0.59 0.00 0.29 0.00 1.12 0.00 0.00 29.99 31.98 2pn5 n HIS 333 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 2pn5 n ASP 334 N -0.99 3.64 0.00 0.41 5.75 -1.26 -4.96 116.55 119.14 2pn5 n ASP 334 Ca 0.19 -1.99 0.00 0.00 -0.01 0.00 0.00 54.79 52.98 2pn5 n ASP 334 Cb 0.09 -0.40 0.00 0.00 -1.03 0.00 0.00 41.12 39.78 2pn5 n ASP 334 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2pn5 n GLY 335 N 1.58 2.66 3.78 6.12 0.00 -0.76 -5.04 105.19 113.53 2pn5 n GLY 335 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.88 2pn5 n GLY 335 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2pn5 s THR 336 N -2.20 3.36 0.31 2.61 -4.23 -1.26 -4.73 115.64 109.49 2pn5 s THR 336 Ca 0.00 0.98 -0.29 0.00 -1.18 0.00 0.00 61.69 61.20 2pn5 s THR 336 Cb 0.00 -3.48 -0.13 0.00 1.34 0.00 0.00 72.50 70.23 2pn5 s THR 336 CO 0.00 -0.05 1.28 -2.65 -0.54 0.00 0.00 174.62 172.66 2pn5 n PRO 337 N -0.53 1.99 -3.68 3.99 -0.02 -1.26 0.14 135.00 135.62 2pn5 n PRO 337 Ca 0.07 0.70 -0.39 0.00 -2.02 0.00 0.00 63.50 61.87 2pn5 n PRO 337 Cb 0.49 -2.27 -0.11 0.00 -0.02 0.00 0.00 33.50 31.60 2pn5 n PRO 337 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2pn5 s ALA 338 N -0.83 3.19 0.23 3.55 0.00 -0.77 -4.58 121.76 122.55 2pn5 s ALA 338 Ca 0.59 -2.12 -0.08 0.00 0.00 0.00 0.00 51.96 50.35 2pn5 s ALA 338 Cb -0.61 -2.49 -0.06 0.00 0.00 0.00 0.00 23.12 19.96 2pn5 s ALA 338 CO 0.59 -1.59 0.53 0.15 0.00 0.00 0.00 175.76 175.43 2pn5 s LYS 339 N 1.36 3.73 -0.08 0.00 1.02 -1.26 -4.30 119.74 120.21 2pn5 s LYS 339 Ca 0.02 0.16 0.00 0.00 0.02 0.00 0.00 55.97 56.17 2pn5 s LYS 339 Cb -0.22 -2.67 0.00 0.00 -0.52 0.00 0.00 37.83 34.42 2pn5 s LYS 339 CO 0.01 0.31 0.00 0.41 -0.92 0.00 0.00 175.35 175.16 2pn5 n GLY 340 N -0.31 0.40 3.68 -3.33 0.00 -0.09 -4.94 105.19 100.59 2pn5 n GLY 340 Ca -0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 2pn5 n GLY 340 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pn5 s ILE 341 N -1.74 4.10 0.12 -0.61 1.09 -1.26 -4.62 121.20 118.28 2pn5 s ILE 341 Ca 0.00 1.40 0.06 0.00 -1.10 0.00 0.00 60.65 61.01 2pn5 s ILE 341 Cb 0.00 -3.90 -0.04 0.00 -1.06 0.00 0.00 42.46 37.46 2pn5 s ILE 341 CO 0.00 -0.05 -0.02 -0.94 -0.10 0.00 0.00 174.94 173.83 2pn5 s SER 342 N 1.85 4.83 0.00 3.58 1.04 -1.26 0.74 113.70 124.48 2pn5 s SER 342 Ca 0.58 -0.29 0.00 0.00 0.48 0.00 0.00 55.95 56.73 2pn5 s SER 342 Cb -0.26 -1.07 0.00 0.00 0.10 0.00 0.00 66.02 64.79 2pn5 s SER 342 CO 0.21 0.15 0.00 0.61 0.98 0.00 0.00 173.24 175.19 2pn5 n GLY 343 N 0.36 -1.31 3.28 7.32 0.00 -1.01 -4.69 105.19 109.13 2pn5 n GLY 343 Ca -0.11 -0.94 -0.34 0.00 0.00 0.00 0.00 46.02 44.64 2pn5 n GLY 343 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2pn5 s LYS 344 N -0.91 3.26 -0.10 1.61 2.20 -0.12 -2.53 119.74 123.15 2pn5 s LYS 344 Ca 0.00 -0.71 -0.12 0.00 -0.36 0.00 0.00 55.97 54.78 2pn5 s LYS 344 Cb 0.00 -2.73 -0.05 0.00 -1.51 0.00 0.00 37.83 33.54 2pn5 s LYS 344 CO 0.00 -0.04 0.28 0.08 -0.36 0.00 0.00 175.35 175.30 2pn5 s VAL 345 N 0.99 5.28 -0.11 4.02 1.01 0.13 -1.39 120.40 130.33 2pn5 s VAL 345 Ca -0.02 0.52 -0.10 0.00 0.00 0.00 0.00 61.98 62.39 2pn5 s VAL 345 Cb -0.15 -3.58 0.03 0.00 0.00 0.00 0.00 36.38 32.68 2pn5 s VAL 345 CO -0.02 0.52 0.30 -1.83 0.00 0.00 0.00 175.10 174.07 2pn5 s GLU 346 N -0.46 0.33 -0.34 2.72 -1.05 -0.23 -1.47 118.70 118.20 2pn5 s GLU 346 Ca 0.18 0.45 0.03 0.00 -0.15 0.00 0.00 54.97 55.48 2pn5 s GLU 346 Cb -0.14 0.13 0.10 0.00 -0.44 0.00 0.00 34.13 33.78 2pn5 s GLU 346 CO 0.07 -0.06 0.06 0.08 0.95 0.00 0.00 175.26 176.36 2pn5 s VAL 347 N 0.35 2.07 0.31 1.83 1.01 -0.78 -1.27 120.40 123.93 2pn5 s VAL 347 Ca -0.02 -2.23 0.11 0.00 0.00 0.00 0.00 61.98 59.85 2pn5 s VAL 347 Cb -0.03 -2.53 0.02 0.00 0.00 0.00 0.00 36.38 33.84 2pn5 s VAL 347 CO -0.01 -0.62 1.70 0.77 0.00 0.00 0.00 175.10 176.94 2pn5 h SER 348 N 7.65 0.00 -0.83 3.32 4.64 -1.79 -0.51 113.55 126.04 2pn5 h SER 348 Ca -0.06 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.50 2pn5 h SER 348 Cb 1.02 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.07 2pn5 h SER 348 CO 0.52 0.51 0.60 0.44 -0.87 0.00 0.00 176.83 178.03 2pn5 h ASP 349 N 0.00 0.00 -0.04 4.97 3.32 -1.88 -1.11 116.42 121.68 2pn5 h ASP 349 Ca -0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.04 2pn5 h ASP 349 Cb 0.91 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.46 2pn5 h ASP 349 CO 0.07 0.00 0.00 0.52 -1.72 0.00 0.00 179.24 178.11 2pn5 n VAL 350 N -4.27 0.72 -3.90 -1.35 0.31 -1.16 -4.99 118.33 103.70 2pn5 n VAL 350 Ca 0.17 -0.86 -0.28 0.00 -0.01 0.00 0.00 64.34 63.36 2pn5 n VAL 350 Cb 0.90 0.65 0.01 0.00 -0.91 0.00 0.00 33.84 34.49 2pn5 n VAL 350 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2pn5 n ARG 351 N -0.22 -4.72 -3.59 5.55 1.74 -0.42 -4.98 116.66 110.03 2pn5 n ARG 351 Ca 0.02 0.55 -0.34 0.00 -0.77 0.00 0.00 57.85 57.30 2pn5 n ARG 351 Cb 0.21 -5.20 -0.05 0.00 -1.02 0.00 0.00 32.46 26.40 2pn5 n ARG 351 CO 0.00 0.00 0.00 0.12 -1.52 0.00 0.00 177.63 176.23 2pn5 s PHE 352 N -3.51 3.56 -0.27 -1.55 5.36 -0.22 -5.00 117.98 116.35 2pn5 s PHE 352 Ca 0.38 0.75 -0.24 0.00 -0.96 0.00 0.00 56.93 56.86 2pn5 s PHE 352 Cb -0.19 -2.14 0.07 0.00 -0.34 0.00 0.00 43.02 40.42 2pn5 s PHE 352 CO 0.85 0.50 0.71 -2.00 -1.46 0.00 0.00 175.22 173.81 2pn5 s GLU 353 N -2.04 0.82 -0.22 10.12 2.12 -1.26 -1.86 118.70 126.37 2pn5 s GLU 353 Ca 0.34 0.99 -0.13 0.00 0.36 0.00 0.00 54.97 56.53 2pn5 s GLU 353 Cb -0.14 0.39 0.07 0.00 0.26 0.00 0.00 34.13 34.72 2pn5 s GLU 353 CO 0.19 -0.10 0.55 -0.08 -0.54 0.00 0.00 175.26 175.28 2pn5 s THR 354 N 0.42 -0.01 -0.39 -1.70 -1.32 -0.55 -5.02 115.64 107.07 2pn5 s THR 354 Ca -0.00 0.04 -0.05 0.00 -1.21 0.00 0.00 61.69 60.46 2pn5 s THR 354 Cb -0.05 -0.80 0.08 0.00 -1.51 0.00 0.00 72.50 70.22 2pn5 s THR 354 CO 0.00 0.02 0.18 -0.89 -2.21 0.00 0.00 174.62 171.72 2pn5 s THR 355 N 1.38 3.62 0.36 5.08 2.01 -1.26 -0.69 115.64 126.14 2pn5 s THR 355 Ca -0.09 -1.62 -0.03 0.00 0.31 0.00 0.00 61.69 60.27 2pn5 s THR 355 Cb -0.06 -3.27 0.01 0.00 0.01 0.00 0.00 72.50 69.18 2pn5 s THR 355 CO -0.14 -0.48 0.51 0.28 -0.69 0.00 0.00 174.62 174.10 2pn5 s THR 356 N 1.29 0.00 0.10 -0.82 -1.32 -1.05 -5.00 115.64 108.84 2pn5 s THR 356 Ca 0.03 -1.55 0.09 0.00 -1.21 0.00 0.00 61.69 59.05 2pn5 s THR 356 Cb -0.22 -2.70 -0.04 0.00 -1.51 0.00 0.00 72.50 68.03 2pn5 s THR 356 CO -0.01 0.00 -0.21 0.42 -2.21 0.00 0.00 174.62 172.61 2pn5 s THR 357 N -2.86 2.63 0.27 5.08 -4.23 -1.26 -2.41 115.64 112.86 2pn5 s THR 357 Ca 0.30 -1.50 -0.31 0.00 -1.18 0.00 0.00 61.69 59.00 2pn5 s THR 357 Cb -0.01 -2.17 -0.12 0.00 1.34 0.00 0.00 72.50 71.54 2pn5 s THR 357 CO 0.21 0.16 1.59 -1.54 -0.54 0.00 0.00 174.62 174.50 2pn5 n SER 358 N 1.05 3.69 -3.55 3.99 3.41 0.23 -4.84 113.62 117.59 2pn5 n SER 358 Ca -0.16 1.13 -0.28 0.00 -0.26 0.00 0.00 58.87 59.30 2pn5 n SER 358 Cb 0.53 -1.56 0.22 0.00 -0.26 0.00 0.00 64.21 63.14 2pn5 n SER 358 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2pn5 n ASP 359 N 2.48 -1.42 0.19 4.04 5.68 0.62 -0.91 116.55 127.22 2pn5 n ASP 359 Ca 0.10 -1.21 0.18 0.00 -0.50 0.00 0.00 54.79 53.36 2pn5 n ASP 359 Cb 0.35 -0.93 0.82 0.00 -1.14 0.00 0.00 41.12 40.22 2pn5 n ASP 359 CO 0.00 0.00 0.00 -1.13 -1.33 0.00 0.00 177.20 174.74 2pn5 h ASN 360 N -2.32 0.00 0.01 -1.12 -1.24 -1.93 0.37 115.58 109.34 2pn5 h ASN 360 Ca -0.39 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.62 2pn5 h ASN 360 Cb 1.14 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.19 2pn5 h ASN 360 CO 0.26 0.00 -0.03 0.47 -1.29 0.00 0.00 177.43 176.84 2pn5 n ASP 361 N -3.75 1.43 0.00 1.15 10.43 -1.26 -4.84 116.55 119.72 2pn5 n ASP 361 Ca 0.02 -1.43 0.00 0.00 2.57 0.00 0.00 54.79 55.96 2pn5 n ASP 361 Cb 0.38 0.01 0.00 0.00 1.84 0.00 0.00 41.12 43.35 2pn5 n ASP 361 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2pn5 n GLY 362 N 1.19 0.40 3.74 0.44 0.00 0.13 -4.77 105.19 106.32 2pn5 n GLY 362 Ca 0.18 -1.04 -0.30 0.00 0.00 0.00 0.00 46.02 44.87 2pn5 n GLY 362 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2pn5 s LEU 363 N 0.00 3.65 -0.31 0.99 1.43 -1.26 0.31 118.68 123.49 2pn5 s LEU 363 Ca 0.00 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.03 2pn5 s LEU 363 Cb 0.00 -2.35 0.08 0.00 0.03 0.00 0.00 46.19 43.95 2pn5 s LEU 363 CO 0.00 0.17 -0.00 -0.63 0.23 0.00 0.00 176.35 176.12 2pn5 s ILE 364 N -1.37 2.42 0.20 -0.59 1.01 -0.64 -0.28 121.20 121.96 2pn5 s ILE 364 Ca 0.28 -1.94 -0.30 0.00 0.00 0.00 0.00 60.65 58.69 2pn5 s ILE 364 Cb -0.12 -2.59 -0.08 0.00 0.01 0.00 0.00 42.46 39.68 2pn5 s ILE 364 CO 0.20 -0.33 1.04 -0.54 0.00 0.00 0.00 174.94 175.31 2pn5 s LYS 365 N 1.04 4.67 -0.04 2.79 1.02 -1.26 -1.61 119.74 126.36 2pn5 s LYS 365 Ca 0.01 1.64 0.04 0.00 0.02 0.00 0.00 55.97 57.68 2pn5 s LYS 365 Cb -0.20 -3.28 -0.00 0.00 -0.52 0.00 0.00 37.83 33.83 2pn5 s LYS 365 CO -0.06 0.21 -0.14 -0.51 -0.92 0.00 0.00 175.35 173.93 2pn5 s LEU 366 N -0.66 1.87 -0.33 3.17 1.43 0.90 -4.98 118.68 120.08 2pn5 s LEU 366 Ca 0.46 -0.30 0.03 0.00 -1.03 0.00 0.00 54.13 53.30 2pn5 s LEU 366 Cb -0.28 -0.83 0.10 0.00 0.03 0.00 0.00 46.19 45.20 2pn5 s LEU 366 CO 0.35 0.12 0.04 -0.70 0.23 0.00 0.00 176.35 176.39 2pn5 s GLU 367 N 0.10 1.42 0.26 1.70 2.12 -1.26 -1.72 118.70 121.32 2pn5 s GLU 367 Ca -0.04 -1.71 -0.03 0.00 0.36 0.00 0.00 54.97 53.55 2pn5 s GLU 367 Cb -0.11 -3.01 -0.05 0.00 0.26 0.00 0.00 34.13 31.23 2pn5 s GLU 367 CO 0.02 -0.92 0.49 -0.51 -0.54 0.00 0.00 175.26 173.80 2pn5 s LEU 368 N 1.02 4.12 -0.47 2.70 1.43 -0.32 -4.90 118.68 122.25 2pn5 s LEU 368 Ca 0.09 0.58 0.03 0.00 -1.03 0.00 0.00 54.13 53.80 2pn5 s LEU 368 Cb -0.19 -3.38 0.14 0.00 0.03 0.00 0.00 46.19 42.79 2pn5 s LEU 368 CO -0.10 -0.15 0.28 -1.10 0.23 0.00 0.00 176.35 175.51 2pn5 s GLN 369 N -3.53 1.43 0.19 1.70 -1.52 -1.26 -1.22 119.66 115.45 2pn5 s GLN 369 Ca 0.42 -2.21 -0.30 0.00 -1.95 0.00 0.00 55.36 51.32 2pn5 s GLN 369 Cb -0.11 -2.44 -0.09 0.00 -0.22 0.00 0.00 33.01 30.16 2pn5 s GLN 369 CO 0.30 -1.19 1.32 -1.25 -0.25 0.00 0.00 175.29 174.22 2pn5 s PRO 370 N 0.08 4.38 0.65 2.91 0.04 -1.26 -4.96 135.00 136.83 2pn5 s PRO 370 Ca 0.20 2.06 -0.10 0.00 0.04 0.00 0.00 61.00 63.19 2pn5 s PRO 370 Cb -0.20 -3.20 -0.01 0.00 0.04 0.00 0.00 34.50 31.13 2pn5 s PRO 370 CO -0.03 -0.28 1.04 -1.54 0.04 0.00 0.00 177.00 176.22 2pn5 s SER 371 N 0.43 5.82 0.33 6.66 1.04 -1.23 -4.00 113.70 122.75 2pn5 s SER 371 Ca 0.58 1.20 0.07 0.00 0.48 0.00 0.00 55.95 58.27 2pn5 s SER 371 Cb -0.37 -2.15 0.74 0.00 0.10 0.00 0.00 66.02 64.35 2pn5 s SER 371 CO 0.37 -1.08 1.86 -0.33 0.98 0.00 0.00 173.24 175.04 2pn5 h GLU 372 N -0.43 0.76 -0.65 4.02 3.07 -1.72 -0.74 114.58 118.89 2pn5 h GLU 372 Ca -0.45 -0.05 0.13 0.00 -0.50 0.00 0.00 59.36 58.50 2pn5 h GLU 372 Cb 1.23 -0.17 -0.12 0.00 -0.84 0.00 0.00 28.75 28.84 2pn5 h GLU 372 CO 0.63 0.50 -0.16 0.78 -1.40 0.00 0.00 179.01 179.36 2pn5 h GLY 373 N 0.78 0.47 -5.77 -3.84 0.00 -1.94 -3.44 103.07 89.34 2pn5 h GLY 373 Ca 0.46 0.21 -0.67 0.00 0.00 0.00 0.00 47.33 47.33 2pn5 h GLY 373 CO -0.22 -0.25 0.83 2.41 0.00 0.00 0.00 176.54 179.31 2pn5 n THR 374 N -5.43 0.26 -0.04 4.70 -1.04 -0.29 -4.92 114.28 107.52 2pn5 n THR 374 Ca 0.08 -0.05 -0.22 0.00 -2.04 0.00 0.00 64.05 61.83 2pn5 n THR 374 Cb 0.34 -1.34 -0.13 0.00 -1.82 0.00 0.00 70.33 67.38 2pn5 n THR 374 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2pn5 n GLU 375 N 4.73 0.69 -4.08 -2.82 -0.58 -1.26 -4.88 120.64 112.43 2pn5 n GLU 375 Ca 0.22 0.37 -0.10 0.00 -0.42 0.00 0.00 57.16 57.23 2pn5 n GLU 375 Cb 0.21 -1.71 -0.08 0.00 -0.57 0.00 0.00 31.44 29.29 2pn5 n GLU 375 CO 0.00 0.00 0.00 1.14 -0.48 0.00 0.00 177.13 177.79 2pn5 s GLN 376 N -2.49 1.28 -0.25 3.49 -2.07 -1.26 -3.68 119.66 114.68 2pn5 s GLN 376 Ca -0.25 -1.40 0.01 0.00 -1.82 0.00 0.00 55.36 51.90 2pn5 s GLN 376 Cb 0.07 0.35 0.05 0.00 -1.09 0.00 0.00 33.01 32.39 2pn5 s GLN 376 CO 0.70 -0.47 -0.10 -0.51 -1.32 0.00 0.00 175.29 173.59 2pn5 s LEU 377 N -3.07 3.28 -0.49 2.60 1.43 -0.27 -4.85 118.68 117.31 2pn5 s LEU 377 Ca 0.28 -1.19 -0.19 0.00 -1.03 0.00 0.00 54.13 52.00 2pn5 s LEU 377 Cb 0.04 -1.58 0.05 0.00 0.03 0.00 0.00 46.19 44.73 2pn5 s LEU 377 CO 0.08 -0.16 0.60 -0.44 0.23 0.00 0.00 176.35 176.65 2pn5 s SER 378 N 1.18 6.23 -0.49 2.29 0.01 -1.26 -1.16 113.70 120.50 2pn5 s SER 378 Ca -0.05 -0.85 -0.16 0.00 1.31 0.00 0.00 55.95 56.20 2pn5 s SER 378 Cb -0.18 -2.28 0.07 0.00 0.21 0.00 0.00 66.02 63.84 2pn5 s SER 378 CO -0.06 -0.84 0.46 -0.63 0.41 0.00 0.00 173.24 172.59 2pn5 s ILE 379 N 2.55 5.14 -0.09 1.44 1.01 -0.74 -4.03 121.20 126.49 2pn5 s ILE 379 Ca 0.15 -0.95 -0.03 0.00 0.00 0.00 0.00 60.65 59.83 2pn5 s ILE 379 Cb -0.19 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.07 2pn5 s ILE 379 CO 0.13 -0.66 0.03 -1.00 0.00 0.00 0.00 174.94 173.44 2pn5 s HIS 380 N 1.89 3.24 -0.05 3.97 3.76 -0.39 -2.12 115.29 125.59 2pn5 s HIS 380 Ca 0.07 0.25 0.01 0.00 -0.15 0.00 0.00 55.06 55.24 2pn5 s HIS 380 Cb -0.23 -1.81 0.02 0.00 1.11 0.00 0.00 32.58 31.67 2pn5 s HIS 380 CO 0.08 0.52 -0.06 0.12 -0.85 0.00 0.00 174.74 174.54 2pn5 s PHE 381 N -0.93 0.87 -0.06 1.40 5.36 0.31 -1.07 117.98 123.86 2pn5 s PHE 381 Ca 0.14 -0.26 0.00 0.00 -0.96 0.00 0.00 56.93 55.85 2pn5 s PHE 381 Cb -0.11 -0.72 0.02 0.00 -0.34 0.00 0.00 43.02 41.87 2pn5 s PHE 381 CO 0.03 -0.19 -0.04 -0.80 -1.46 0.00 0.00 175.22 172.76 2pn5 s ASN 382 N 0.79 1.39 0.16 6.13 0.01 -0.49 -0.89 114.94 122.04 2pn5 s ASN 382 Ca -0.12 -0.15 0.06 0.00 -0.71 0.00 0.00 52.86 51.94 2pn5 s ASN 382 Cb -0.14 -0.52 -0.04 0.00 0.41 0.00 0.00 41.25 40.96 2pn5 s ASN 382 CO 0.01 -0.11 0.08 0.00 -1.51 0.00 0.00 177.10 175.57 2pn5 s ALA 383 N 1.38 3.43 0.48 0.60 0.00 -0.29 -0.94 121.76 126.41 2pn5 s ALA 383 Ca -0.03 -1.24 0.41 0.00 0.00 0.00 0.00 51.96 51.09 2pn5 s ALA 383 Cb -0.13 -1.23 2.10 0.00 0.00 0.00 0.00 23.12 23.86 2pn5 s ALA 383 CO -0.03 0.53 2.25 -0.39 0.00 0.00 0.00 175.76 178.12 2pn5 h VAL 384 N 2.28 0.00 0.00 0.00 -1.51 -1.87 -1.72 116.25 113.43 2pn5 h VAL 384 Ca -0.47 -0.15 0.00 0.00 -1.23 0.00 0.00 66.70 64.85 2pn5 h VAL 384 Cb 1.20 1.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.50 2pn5 h VAL 384 CO 0.61 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 176.05 2pn5 n ASP 385 N -3.06 0.00 0.00 4.19 5.68 -1.26 -4.84 116.55 117.26 2pn5 n ASP 385 Ca -0.02 -0.64 0.00 0.00 -0.50 0.00 0.00 54.79 53.63 2pn5 n ASP 385 Cb 0.14 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.12 2pn5 n ASP 385 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2pn5 n GLY 386 N 0.25 0.72 3.77 6.12 0.00 -0.65 -5.06 105.19 110.34 2pn5 n GLY 386 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 2pn5 n GLY 386 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2pn5 s PHE 387 N -2.20 2.86 -0.06 1.61 5.36 -1.24 -4.87 117.98 119.44 2pn5 s PHE 387 Ca 0.00 1.22 -0.08 0.00 -0.96 0.00 0.00 56.93 57.11 2pn5 s PHE 387 Cb 0.00 -3.85 0.02 0.00 -0.34 0.00 0.00 43.02 38.85 2pn5 s PHE 387 CO 0.00 -2.51 0.21 -0.59 -1.46 0.00 0.00 175.22 170.87 2pn5 s PHE 388 N -0.86 -0.19 -0.03 10.12 -0.71 -1.26 -1.14 117.98 123.91 2pn5 s PHE 388 Ca 0.53 0.44 0.01 0.00 -1.04 0.00 0.00 56.93 56.87 2pn5 s PHE 388 Cb -0.43 0.06 0.02 0.00 -1.21 0.00 0.00 43.02 41.46 2pn5 s PHE 388 CO 0.54 -0.16 -0.03 0.12 -1.34 0.00 0.00 175.22 174.36 2pn5 s PHE 389 N -0.22 0.54 -0.04 3.49 5.36 -0.07 -4.99 117.98 122.05 2pn5 s PHE 389 Ca -0.03 -0.11 0.03 0.00 -0.96 0.00 0.00 56.93 55.86 2pn5 s PHE 389 Cb -0.03 -0.53 0.00 0.00 -0.34 0.00 0.00 43.02 42.13 2pn5 s PHE 389 CO 0.01 -0.15 -0.11 0.71 -1.46 0.00 0.00 175.22 174.22 2pn5 s TYR 390 N 0.87 1.20 -0.03 10.12 4.12 -1.26 -0.53 117.35 131.84 2pn5 s TYR 390 Ca -0.10 -0.34 -0.02 0.00 0.02 0.00 0.00 57.07 56.63 2pn5 s TYR 390 Cb -0.13 -0.85 0.02 0.00 -1.52 0.00 0.00 41.96 39.47 2pn5 s TYR 390 CO -0.01 -0.15 0.07 -2.00 0.02 0.00 0.00 175.55 173.49 2pn5 s GLU 391 N 0.26 0.04 -0.06 -0.62 2.12 -0.90 -5.01 118.70 114.53 2pn5 s GLU 391 Ca -0.05 0.16 -0.15 0.00 0.36 0.00 0.00 54.97 55.28 2pn5 s GLU 391 Cb -0.11 -0.08 -0.05 0.00 0.26 0.00 0.00 34.13 34.15 2pn5 s GLU 391 CO 0.01 -0.08 0.40 -0.51 -0.54 0.00 0.00 175.26 174.55 2pn5 s ASP 392 N 0.51 6.70 -0.20 -1.70 1.01 -1.26 -1.79 116.67 119.94 2pn5 s ASP 392 Ca -0.04 0.84 -0.06 0.00 0.71 0.00 0.00 52.55 54.00 2pn5 s ASP 392 Cb -0.06 -2.25 -0.03 0.00 1.01 0.00 0.00 42.92 41.60 2pn5 s ASP 392 CO -0.02 0.20 0.03 -0.69 0.21 0.00 0.00 175.17 174.90 2pn5 s VAL 393 N -0.35 4.28 0.41 -1.27 1.01 -0.31 -4.97 120.40 119.20 2pn5 s VAL 393 Ca 0.23 -0.20 0.01 0.00 0.00 0.00 0.00 61.98 62.01 2pn5 s VAL 393 Cb -0.16 -2.94 -0.01 0.00 0.00 0.00 0.00 36.38 33.27 2pn5 s VAL 393 CO 0.11 0.43 0.62 0.20 0.00 0.00 0.00 175.10 176.46 2pn5 s ASN 394 N 0.82 5.98 0.51 3.32 0.02 -1.26 -1.11 114.94 123.21 2pn5 s ASN 394 Ca 0.02 0.30 -0.14 0.00 -1.02 0.00 0.00 52.86 52.02 2pn5 s ASN 394 Cb -0.14 -1.66 -0.07 0.00 0.02 0.00 0.00 41.25 39.41 2pn5 s ASN 394 CO 0.02 -0.56 0.95 -1.59 0.02 0.00 0.00 177.10 175.93 2pn5 s LYS 395 N -4.46 3.84 0.13 -0.60 -2.85 -1.24 -1.40 119.74 113.17 2pn5 s LYS 395 Ca 0.46 0.80 -0.31 0.00 -1.00 0.00 0.00 55.97 55.92 2pn5 s LYS 395 Cb -0.10 -2.18 -0.10 0.00 -2.06 0.00 0.00 37.83 33.39 2pn5 s LYS 395 CO 0.37 -0.27 1.71 0.08 0.10 0.00 0.00 175.35 177.33 2pn5 s VAL 396 N -2.67 2.61 -0.27 1.79 1.01 0.25 -4.73 120.40 118.38 2pn5 s VAL 396 Ca 0.56 0.25 -0.03 0.00 0.00 0.00 0.00 61.98 62.76 2pn5 s VAL 396 Cb -0.10 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.15 2pn5 s VAL 396 CO 0.36 0.01 -0.02 -0.70 0.00 0.00 0.00 175.10 174.75 2pn5 s GLU 397 N 2.12 2.81 0.37 2.72 2.56 -1.26 -5.00 118.70 123.03 2pn5 s GLU 397 Ca 0.76 -1.01 0.19 0.00 0.00 0.00 0.00 54.97 54.91 2pn5 s GLU 397 Cb -0.44 -3.11 1.21 0.00 2.00 0.00 0.00 34.13 33.78 2pn5 s GLU 397 CO 0.33 -0.45 1.65 1.15 -0.56 0.00 0.00 175.26 177.38 2pn5 h THR 398 N 6.14 0.23 -0.35 -1.70 2.02 -1.94 0.31 112.91 117.62 2pn5 h THR 398 Ca -0.30 -0.08 -0.07 0.00 0.77 0.00 0.00 66.41 66.73 2pn5 h THR 398 Cb 1.10 -0.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 2pn5 h THR 398 CO 0.57 0.04 -0.08 0.58 0.37 0.00 0.00 175.52 177.00 2pn5 h VAL 399 N 0.23 1.23 0.00 3.16 2.07 -1.96 -3.35 116.25 117.64 2pn5 h VAL 399 Ca 0.76 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 67.28 2pn5 h VAL 399 Cb 1.95 1.06 0.00 0.00 -1.52 0.00 0.00 31.29 32.78 2pn5 h VAL 399 CO -0.56 0.34 -0.60 0.35 0.02 0.00 0.00 177.57 177.11 2pn5 n THR 400 N -4.21 0.00 0.08 2.57 -2.24 -0.52 -4.82 114.28 105.14 2pn5 n THR 400 Ca 0.01 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.86 2pn5 n THR 400 Cb 0.31 0.09 -0.10 0.00 -2.10 0.00 0.00 70.33 68.54 2pn5 n THR 400 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2pn5 n ASP 401 N -1.02 1.85 -4.63 3.42 8.00 0.97 -5.02 116.55 120.13 2pn5 n ASP 401 Ca 0.00 -0.11 -0.45 0.00 0.71 0.00 0.00 54.79 54.94 2pn5 n ASP 401 Cb 0.07 1.50 -0.02 0.00 -0.02 0.00 0.00 41.12 42.65 2pn5 n ASP 401 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2pn5 n ALA 402 N -1.85 0.37 -2.19 2.24 0.00 -1.24 -4.83 120.51 113.01 2pn5 n ALA 402 Ca -0.02 0.40 -0.11 0.00 0.00 0.00 0.00 53.44 53.71 2pn5 n ALA 402 Cb 0.31 -2.14 -0.10 0.00 0.00 0.00 0.00 19.45 17.52 2pn5 n ALA 402 CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2pn5 s TYR 403 N -0.67 1.02 -0.05 0.00 1.13 -1.26 -4.92 117.35 112.60 2pn5 s TYR 403 Ca 0.63 -1.15 0.01 0.00 -1.41 0.00 0.00 57.07 55.15 2pn5 s TYR 403 Cb -0.68 -0.58 0.02 0.00 -1.10 0.00 0.00 41.96 39.62 2pn5 s TYR 403 CO 0.57 -0.39 -0.07 -1.50 -2.51 0.00 0.00 175.55 171.64 2pn5 s ILE 404 N -3.89 0.70 0.18 -3.49 2.07 -1.26 -2.00 121.20 113.51 2pn5 s ILE 404 Ca 0.24 -0.23 0.10 0.00 -1.41 0.00 0.00 60.65 59.36 2pn5 s ILE 404 Cb 0.07 -0.68 -0.04 0.00 0.13 0.00 0.00 42.46 41.93 2pn5 s ILE 404 CO 0.03 0.26 -0.21 -1.59 -1.91 0.00 0.00 174.94 171.52 2pn5 s LYS 405 N 0.79 1.40 -0.04 3.50 -2.85 0.11 -4.04 119.74 118.60 2pn5 s LYS 405 Ca -0.12 -1.47 0.06 0.00 -1.00 0.00 0.00 55.97 53.44 2pn5 s LYS 405 Cb -0.14 -1.58 -0.02 0.00 -2.06 0.00 0.00 37.83 34.02 2pn5 s LYS 405 CO 0.01 0.33 -0.22 -1.17 0.10 0.00 0.00 175.35 174.40 2pn5 s LEU 406 N -2.68 2.24 -0.06 2.77 2.96 -1.26 -1.57 118.68 121.07 2pn5 s LEU 406 Ca 0.18 -0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 53.66 2pn5 s LEU 406 Cb -0.07 -1.41 0.04 0.00 0.50 0.00 0.00 46.19 45.25 2pn5 s LEU 406 CO 0.08 0.30 0.10 -0.70 -1.32 0.00 0.00 176.35 174.82 2pn5 s GLU 407 N -0.48 -0.03 0.03 1.98 2.12 -1.00 -4.99 118.70 116.33 2pn5 s GLU 407 Ca 0.06 0.43 -0.30 0.00 0.36 0.00 0.00 54.97 55.52 2pn5 s GLU 407 Cb -0.11 -0.48 -0.07 0.00 0.26 0.00 0.00 34.13 33.73 2pn5 s GLU 407 CO 0.01 -0.34 1.54 -1.17 -0.54 0.00 0.00 175.26 174.76 2pn5 s LEU 408 N 2.22 4.34 -0.01 2.70 2.96 -1.26 -1.21 118.68 128.42 2pn5 s LEU 408 Ca 0.04 2.30 0.16 0.00 -0.22 0.00 0.00 54.13 56.42 2pn5 s LEU 408 Cb -0.12 -3.56 -0.22 0.00 0.50 0.00 0.00 46.19 42.79 2pn5 s LEU 408 CO -0.04 -0.81 0.50 0.29 -1.32 0.00 0.00 176.35 174.97 2pn5 n LYS 409 N 5.58 1.01 -3.89 1.98 4.76 0.83 -4.93 118.16 123.49 2pn5 n LYS 409 Ca 0.15 -0.09 -0.09 0.00 -2.87 0.00 0.00 58.31 55.41 2pn5 n LYS 409 Cb 0.42 -1.34 -0.08 0.00 -1.84 0.00 0.00 35.03 32.19 2pn5 n LYS 409 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2pn5 s SER 410 N -3.32 0.16 0.87 4.39 1.04 -1.23 -4.98 113.70 110.63 2pn5 s SER 410 Ca -0.01 -0.64 -0.12 0.00 0.48 0.00 0.00 55.95 55.66 2pn5 s SER 410 Cb 0.11 0.30 0.11 0.00 0.10 0.00 0.00 66.02 66.65 2pn5 s SER 410 CO 0.68 -0.66 1.12 -2.84 0.98 0.00 0.00 173.24 172.52 2pn5 s PRO 411 N -3.55 1.52 -0.30 4.02 0.02 -1.26 -4.66 135.00 130.80 2pn5 s PRO 411 Ca 0.03 0.44 -0.06 0.00 0.02 0.00 0.00 61.00 61.43 2pn5 s PRO 411 Cb 0.04 -1.87 0.01 0.00 0.02 0.00 0.00 34.50 32.70 2pn5 s PRO 411 CO -0.09 -1.97 0.07 0.42 -0.33 0.00 0.00 177.00 175.10 2pn5 s ILE 412 N -3.22 3.83 0.14 2.83 1.01 -1.26 -4.86 121.20 119.68 2pn5 s ILE 412 Ca 0.63 -0.78 0.06 0.00 0.00 0.00 0.00 60.65 60.55 2pn5 s ILE 412 Cb -0.15 -3.00 -0.04 0.00 0.01 0.00 0.00 42.46 39.28 2pn5 s ILE 412 CO 0.54 0.06 -0.13 -0.54 0.00 0.00 0.00 174.94 174.86 2pn5 s LYS 413 N 1.47 1.08 0.00 2.79 1.02 -1.26 -4.19 119.74 120.65 2pn5 s LYS 413 Ca 0.02 -1.34 0.00 0.00 0.02 0.00 0.00 55.97 54.67 2pn5 s LYS 413 Cb -0.17 -0.89 0.00 0.00 -0.52 0.00 0.00 37.83 36.25 2pn5 s LYS 413 CO 0.02 0.16 0.22 0.54 -0.92 0.00 0.00 175.35 175.37 2pn5 n ARG 414 N 0.23 0.00 -2.58 1.68 5.12 -1.26 -2.81 116.66 117.05 2pn5 n ARG 414 Ca -0.13 0.22 -0.29 0.00 -1.93 0.00 0.00 57.85 55.72 2pn5 n ARG 414 Cb 0.58 -0.40 -0.01 0.00 -1.16 0.00 0.00 32.46 31.47 2pn5 n ARG 414 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2pn5 n ASN 415 N -1.09 5.02 -4.42 0.55 4.13 -1.26 -4.49 115.26 113.70 2pn5 n ASN 415 Ca 0.00 -3.72 -0.21 0.00 1.68 0.00 0.00 54.58 52.33 2pn5 n ASN 415 Cb 0.00 -0.58 -0.10 0.00 -1.54 0.00 0.00 39.78 37.56 2pn5 n ASN 415 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 2pn5 s LYS 416 N -3.61 1.52 0.17 3.52 -0.14 -1.12 -4.93 119.74 115.15 2pn5 s LYS 416 Ca 0.48 -1.75 -0.30 0.00 -1.36 0.00 0.00 55.97 53.04 2pn5 s LYS 416 Cb 0.36 -1.20 -0.08 0.00 -1.68 0.00 0.00 37.83 35.23 2pn5 s LYS 416 CO -0.19 0.09 1.13 -0.51 -0.76 0.00 0.00 175.35 175.11 2pn5 s LEU 417 N -3.43 4.47 -0.12 3.17 1.43 -1.26 -2.19 118.68 120.75 2pn5 s LEU 417 Ca 0.28 2.13 -0.11 0.00 -1.03 0.00 0.00 54.13 55.40 2pn5 s LEU 417 Cb 0.02 -3.60 -0.05 0.00 0.03 0.00 0.00 46.19 42.59 2pn5 s LEU 417 CO 0.11 -0.28 0.25 -0.04 0.23 0.00 0.00 176.35 176.62 2pn5 s MET 418 N -0.26 3.94 -0.11 1.70 -1.94 0.13 -4.88 119.30 117.87 2pn5 s MET 418 Ca 0.51 0.04 0.03 0.00 -1.71 0.00 0.00 55.69 54.56 2pn5 s MET 418 Cb -0.30 -3.32 0.00 0.00 2.01 0.00 0.00 34.83 33.23 2pn5 s MET 418 CO 0.35 0.50 -0.23 1.03 -0.01 0.00 0.00 175.02 176.66 2pn5 s ARG 419 N -0.29 2.98 -0.01 2.03 0.52 -1.26 -1.17 118.95 121.75 2pn5 s ARG 419 Ca 0.16 -0.85 0.04 0.00 -0.52 0.00 0.00 55.73 54.56 2pn5 s ARG 419 Cb -0.13 -2.32 -0.01 0.00 0.52 0.00 0.00 34.95 33.01 2pn5 s ARG 419 CO 0.05 0.10 -0.12 -0.06 0.02 0.00 0.00 175.30 175.28 2pn5 s PHE 420 N 0.54 1.12 -0.38 -0.53 0.40 0.53 -0.12 117.98 119.54 2pn5 s PHE 420 Ca -0.14 -0.21 -0.15 0.00 -0.60 0.00 0.00 56.93 55.82 2pn5 s PHE 420 Cb -0.17 -0.72 0.00 0.00 0.51 0.00 0.00 43.02 42.65 2pn5 s PHE 420 CO 0.05 -0.02 0.33 1.41 0.70 0.00 0.00 175.22 177.69 2pn5 s MET 421 N -0.32 3.29 -0.23 0.44 1.75 -0.35 0.06 119.30 123.95 2pn5 s MET 421 Ca 0.05 -0.70 -0.21 0.00 -1.25 0.00 0.00 55.69 53.57 2pn5 s MET 421 Cb -0.05 -3.89 -0.02 0.00 2.84 0.00 0.00 34.83 33.72 2pn5 s MET 421 CO -0.00 -0.63 0.68 0.08 -0.65 0.00 0.00 175.02 174.49 2pn5 s VAL 422 N 1.88 4.97 -0.11 10.11 1.01 0.40 -2.37 120.40 136.29 2pn5 s VAL 422 Ca 0.09 1.25 0.03 0.00 0.00 0.00 0.00 61.98 63.35 2pn5 s VAL 422 Cb -0.17 -3.98 -0.01 0.00 0.00 0.00 0.00 36.38 32.22 2pn5 s VAL 422 CO 0.11 0.04 -0.20 -0.89 0.00 0.00 0.00 175.10 174.16 2pn5 s THR 423 N 2.33 2.43 0.21 3.92 2.01 -0.61 -0.53 115.64 125.40 2pn5 s THR 423 Ca 0.29 -0.89 0.09 0.00 0.31 0.00 0.00 61.69 61.49 2pn5 s THR 423 Cb -0.16 -1.96 -0.05 0.00 0.01 0.00 0.00 72.50 70.35 2pn5 s THR 423 CO 0.09 0.55 -0.18 0.00 -0.69 0.00 0.00 174.62 174.39 2pn5 h THR 425 N 2.77 1.54 -3.13 0.00 1.35 -1.69 -3.44 112.91 110.31 2pn5 h THR 425 Ca -0.41 -2.68 -0.59 0.00 -0.55 0.00 0.00 66.41 62.18 2pn5 h THR 425 Cb 1.22 2.47 -0.04 0.00 -1.73 0.00 0.00 68.15 70.07 2pn5 h THR 425 CO 0.57 0.77 -0.27 -1.61 -0.25 0.00 0.00 175.52 174.73 2pn5 s GLU 426 N -3.20 3.71 -0.45 4.72 8.01 -1.26 -5.00 118.70 125.23 2pn5 s GLU 426 Ca -0.01 0.09 -0.28 0.00 0.01 0.00 0.00 54.97 54.78 2pn5 s GLU 426 Cb 0.11 -2.95 -0.01 0.00 -4.31 0.00 0.00 34.13 26.97 2pn5 s GLU 426 CO 0.81 0.53 1.66 1.03 0.01 0.00 0.00 175.26 179.30 2pn5 s ARG 427 N -2.14 3.21 0.22 1.61 0.52 -1.26 -4.29 118.95 116.82 2pn5 s ARG 427 Ca 0.35 0.96 -0.30 0.00 -0.52 0.00 0.00 55.73 56.23 2pn5 s ARG 427 Cb -0.13 -4.19 -0.08 0.00 0.52 0.00 0.00 34.95 31.06 2pn5 s ARG 427 CO 0.20 -2.01 1.17 -1.64 0.02 0.00 0.00 175.30 173.03 2pn5 s MET 428 N 5.80 4.53 -0.00 3.54 -1.94 0.01 -4.48 119.30 126.76 2pn5 s MET 428 Ca 0.68 1.86 0.22 0.00 -1.71 0.00 0.00 55.69 56.74 2pn5 s MET 428 Cb -0.16 -3.22 -0.26 0.00 2.01 0.00 0.00 34.83 33.19 2pn5 s MET 428 CO 0.29 0.00 0.64 2.41 -0.01 0.00 0.00 175.02 178.36 2pn5 n THR 429 N 2.06 0.05 -3.78 2.05 -1.04 -1.26 -1.85 114.28 110.51 2pn5 n THR 429 Ca 0.02 -0.38 -0.09 0.00 -2.04 0.00 0.00 64.05 61.56 2pn5 n THR 429 Cb 0.45 0.19 -0.03 0.00 -1.82 0.00 0.00 70.33 69.12 2pn5 n THR 429 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2pn5 s PHE 430 N -3.38 -0.15 0.16 -1.42 -0.71 -1.26 -3.95 117.98 107.26 2pn5 s PHE 430 Ca -0.03 -0.23 -0.24 0.00 -1.04 0.00 0.00 56.93 55.39 2pn5 s PHE 430 Cb 0.14 0.54 0.06 0.00 -1.21 0.00 0.00 43.02 42.55 2pn5 s PHE 430 CO 0.89 -1.06 0.74 -0.59 -1.34 0.00 0.00 175.22 173.85 2pn5 s PHE 431 N -3.89 -0.35 0.08 3.49 -0.71 -0.40 -4.82 117.98 111.38 2pn5 s PHE 431 Ca 0.10 0.08 0.09 0.00 -1.04 0.00 0.00 56.93 56.16 2pn5 s PHE 431 Cb -0.03 0.61 -0.03 0.00 -1.21 0.00 0.00 43.02 42.35 2pn5 s PHE 431 CO 0.02 -0.89 -0.23 0.08 -1.34 0.00 0.00 175.22 172.86 2pn5 s VAL 432 N -3.60 1.90 0.21 -2.49 1.01 0.56 -0.91 120.40 117.08 2pn5 s VAL 432 Ca 0.06 -1.48 0.11 0.00 0.00 0.00 0.00 61.98 60.68 2pn5 s VAL 432 Cb -0.02 -1.67 -0.05 0.00 0.00 0.00 0.00 36.38 34.64 2pn5 s VAL 432 CO -0.05 0.11 -0.23 -0.72 0.00 0.00 0.00 175.10 174.22 2pn5 s TYR 433 N -0.98 2.27 0.01 5.22 1.13 -0.98 -0.95 117.35 123.07 2pn5 s TYR 433 Ca 0.09 -0.36 0.00 0.00 -1.41 0.00 0.00 57.07 55.40 2pn5 s TYR 433 Cb -0.10 -1.09 -0.01 0.00 -1.10 0.00 0.00 41.96 39.67 2pn5 s TYR 433 CO 0.04 0.55 -0.02 0.71 -2.51 0.00 0.00 175.55 174.32 2pn5 s TYR 434 N -1.91 0.14 -0.09 -3.49 1.51 0.13 -2.07 117.35 111.57 2pn5 s TYR 434 Ca 0.23 -0.19 0.02 0.00 -1.01 0.00 0.00 57.07 56.12 2pn5 s TYR 434 Cb -0.07 -0.10 0.02 0.00 -0.11 0.00 0.00 41.96 41.70 2pn5 s TYR 434 CO 0.11 -0.06 -0.12 0.54 -1.11 0.00 0.00 175.55 174.91 2pn5 s VAL 435 N -0.51 1.21 0.01 0.71 0.11 0.10 -0.67 120.40 121.38 2pn5 s VAL 435 Ca -0.05 -0.49 0.07 0.00 -2.93 0.00 0.00 61.98 58.59 2pn5 s VAL 435 Cb -0.04 -1.13 -0.02 0.00 -1.53 0.00 0.00 36.38 33.66 2pn5 s VAL 435 CO -0.00 0.38 -0.22 0.00 -3.33 0.00 0.00 175.10 171.93 2pn5 s MET 436 N 0.95 1.62 -0.05 1.54 0.23 -0.92 0.18 119.30 122.85 2pn5 s MET 436 Ca -0.09 -0.88 -0.02 0.00 -1.03 0.00 0.00 55.69 53.67 2pn5 s MET 436 Cb -0.15 -1.65 0.03 0.00 -1.53 0.00 0.00 34.83 31.53 2pn5 s MET 436 CO 0.00 0.44 0.12 0.45 -2.03 0.00 0.00 175.02 174.00 2pn5 s SER 437 N -0.86 -0.07 -1.24 -1.18 0.15 -0.72 -2.04 113.70 107.75 2pn5 s SER 437 Ca 0.08 0.24 -0.02 0.00 0.70 0.00 0.00 55.95 56.95 2pn5 s SER 437 Cb -0.09 0.14 -0.01 0.00 -1.71 0.00 0.00 66.02 64.35 2pn5 s SER 437 CO 0.01 -0.13 0.82 0.29 1.20 0.00 0.00 173.24 175.43 2pn5 n LYS 438 N 4.05 -4.97 -3.38 5.44 5.02 -1.26 -2.87 118.16 120.19 2pn5 n LYS 438 Ca -0.25 0.71 -0.24 0.00 -2.02 0.00 0.00 58.31 56.51 2pn5 n LYS 438 Cb 0.52 -5.40 -0.00 0.00 -0.02 0.00 0.00 35.03 30.13 2pn5 n LYS 438 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2pn5 n GLY 439 N -1.40 -0.49 2.96 0.72 0.00 -1.26 -4.99 105.19 100.73 2pn5 n GLY 439 Ca -0.26 0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.75 2pn5 n GLY 439 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2pn5 s ASN 440 N -2.75 0.08 -0.48 1.61 2.47 -1.14 -4.84 114.94 109.89 2pn5 s ASN 440 Ca 0.41 -0.20 -0.28 0.00 0.42 0.00 0.00 52.86 53.21 2pn5 s ASN 440 Cb -0.22 0.10 0.00 0.00 -1.45 0.00 0.00 41.25 39.69 2pn5 s ASN 440 CO 0.51 -0.18 1.56 -0.63 -3.72 0.00 0.00 177.10 174.64 2pn5 s ILE 441 N -0.76 3.69 0.09 -5.21 1.01 -1.26 -1.75 121.20 117.01 2pn5 s ILE 441 Ca -0.08 0.63 0.08 0.00 0.00 0.00 0.00 60.65 61.27 2pn5 s ILE 441 Cb -0.05 -4.13 -0.20 0.00 0.01 0.00 0.00 42.46 38.09 2pn5 s ILE 441 CO -0.00 -0.86 1.24 0.40 0.00 0.00 0.00 174.94 175.72 2pn5 h ILE 442 N 6.57 1.60 -1.75 2.92 5.03 -0.61 -3.44 117.51 127.83 2pn5 h ILE 442 Ca -0.28 -3.31 0.02 0.00 -0.12 0.00 0.00 64.86 61.18 2pn5 h ILE 442 Cb 1.12 2.79 -0.21 0.00 -3.03 0.00 0.00 36.82 37.49 2pn5 h ILE 442 CO 1.13 0.91 0.40 -0.62 -0.68 0.00 0.00 178.15 179.29 2pn5 s ASP 443 N -6.64 -0.49 0.20 1.72 3.68 -1.13 -5.01 116.67 108.99 2pn5 s ASP 443 Ca 0.01 0.53 -0.18 0.00 2.13 0.00 0.00 52.55 55.03 2pn5 s ASP 443 Cb 0.10 0.40 0.03 0.00 -1.45 0.00 0.00 42.92 42.00 2pn5 s ASP 443 CO 0.82 -0.45 0.55 0.00 0.13 0.00 0.00 175.17 176.21 2pn5 s ALA 444 N -1.17 -1.04 0.00 3.66 0.00 -1.26 0.03 121.76 121.98 2pn5 s ALA 444 Ca -0.05 -0.13 -0.23 0.00 0.00 0.00 0.00 51.96 51.54 2pn5 s ALA 444 Cb -0.00 0.85 0.05 0.00 0.00 0.00 0.00 23.12 24.02 2pn5 s ALA 444 CO 0.05 -0.81 0.51 0.20 0.00 0.00 0.00 175.76 175.71 2pn5 s GLY 445 N -2.86 -0.40 -0.36 0.00 0.00 -0.88 -4.98 107.32 97.84 2pn5 s GLY 445 Ca 0.08 0.74 -0.12 0.00 0.00 0.00 0.00 44.72 45.43 2pn5 s GLY 445 CO -0.04 0.45 0.22 -0.12 0.00 0.00 0.00 173.10 173.61 2pn5 s PHE 446 N -1.78 3.23 -0.06 1.90 5.36 -1.26 -2.31 117.98 123.05 2pn5 s PHE 446 Ca -0.09 -0.71 -0.02 0.00 -0.96 0.00 0.00 56.93 55.15 2pn5 s PHE 446 Cb -0.02 -2.46 -0.04 0.00 -0.34 0.00 0.00 43.02 40.17 2pn5 s PHE 446 CO 0.03 -0.56 0.04 -1.64 -1.46 0.00 0.00 175.22 171.64 2pn5 s MET 447 N 1.61 3.05 -0.59 10.12 -1.94 -0.09 -4.96 119.30 126.50 2pn5 s MET 447 Ca 0.04 -0.41 0.04 0.00 -1.71 0.00 0.00 55.69 53.65 2pn5 s MET 447 Cb -0.18 -2.86 0.16 0.00 2.01 0.00 0.00 34.83 33.96 2pn5 s MET 447 CO 0.08 0.69 0.41 1.03 -0.01 0.00 0.00 175.02 177.22 2pn5 s ARG 448 N -1.18 1.94 0.61 2.03 0.52 -1.26 -1.28 118.95 120.33 2pn5 s ARG 448 Ca 0.16 -2.85 -0.19 0.00 -0.52 0.00 0.00 55.73 52.33 2pn5 s ARG 448 Cb -0.12 -2.85 -0.03 0.00 0.52 0.00 0.00 34.95 32.48 2pn5 s ARG 448 CO 0.06 -1.28 1.31 -2.14 0.02 0.00 0.00 175.30 173.28 2pn5 s PRO 449 N -0.80 2.78 -1.32 3.54 0.02 -1.25 -4.89 135.00 133.08 2pn5 s PRO 449 Ca 0.25 2.12 -0.10 0.00 0.02 0.00 0.00 61.00 63.29 2pn5 s PRO 449 Cb -0.07 -2.00 0.14 0.00 0.02 0.00 0.00 34.50 32.59 2pn5 s PRO 449 CO -0.14 -1.43 1.99 -1.71 -0.33 0.00 0.00 177.00 175.38 2pn5 n ASN 450 N -1.57 5.09 -3.40 2.53 5.15 -1.26 -4.31 115.26 117.49 2pn5 n ASN 450 Ca 0.14 -3.05 -0.18 0.00 -0.60 0.00 0.00 54.58 50.89 2pn5 n ASN 450 Cb 0.47 -1.51 0.07 0.00 -0.53 0.00 0.00 39.78 38.28 2pn5 n ASN 450 CO 0.00 0.00 0.00 1.17 1.40 0.00 0.00 177.26 179.83 2pn5 n LYS 451 N 4.14 -3.86 -4.58 1.20 4.81 -0.77 -5.01 118.16 114.09 2pn5 n LYS 451 Ca 0.44 0.80 -0.22 0.00 -0.87 0.00 0.00 58.31 58.46 2pn5 n LYS 451 Cb 0.36 -5.63 -0.15 0.00 0.02 0.00 0.00 35.03 29.63 2pn5 n LYS 451 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2pn5 s GLN 452 N -5.02 1.11 0.22 1.64 -1.52 -1.10 -4.66 119.66 110.34 2pn5 s GLN 452 Ca 0.26 -0.45 0.09 0.00 -1.95 0.00 0.00 55.36 53.31 2pn5 s GLN 452 Cb -0.04 -1.05 0.18 0.00 -0.22 0.00 0.00 33.01 31.87 2pn5 s GLN 452 CO 0.76 0.25 1.51 -1.00 -0.25 0.00 0.00 175.29 176.55 2pn5 h PRO 453 N 5.96 0.00 -6.60 2.91 0.13 -1.86 0.06 132.00 132.61 2pn5 h PRO 453 Ca -0.33 -0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.13 2pn5 h PRO 453 Cb 1.17 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.13 2pn5 h PRO 453 CO 0.49 0.74 -0.76 0.15 -0.23 0.00 0.00 178.00 178.39 2pn5 s LYS 454 N -3.33 1.98 -0.19 0.86 1.02 -1.26 -0.40 119.74 118.42 2pn5 s LYS 454 Ca -0.01 -1.14 -0.09 0.00 0.02 0.00 0.00 55.97 54.75 2pn5 s LYS 454 Cb 0.12 -2.20 0.07 0.00 -0.52 0.00 0.00 37.83 35.30 2pn5 s LYS 454 CO 0.78 0.48 0.44 -0.47 -0.92 0.00 0.00 175.35 175.66 2pn5 s TYR 455 N -1.29 -0.70 -0.59 3.18 5.04 0.31 -4.98 117.35 118.32 2pn5 s TYR 455 Ca 0.21 1.44 -0.25 0.00 -2.44 0.00 0.00 57.07 56.02 2pn5 s TYR 455 Cb -0.10 0.32 0.04 0.00 0.35 0.00 0.00 41.96 42.57 2pn5 s TYR 455 CO 0.13 -0.40 1.05 -1.17 -1.34 0.00 0.00 175.55 173.82 2pn5 s LEU 456 N 1.72 3.86 -0.07 6.97 2.96 -1.26 -0.45 118.68 132.41 2pn5 s LEU 456 Ca -0.08 -0.33 -0.25 0.00 -0.22 0.00 0.00 54.13 53.25 2pn5 s LEU 456 Cb -0.09 -2.83 -0.03 0.00 0.50 0.00 0.00 46.19 43.74 2pn5 s LEU 456 CO -0.14 -1.39 0.77 -0.22 -1.32 0.00 0.00 176.35 174.06 2pn5 s LEU 457 N 4.43 4.31 -0.07 -0.68 2.96 0.11 -4.92 118.68 124.81 2pn5 s LEU 457 Ca 0.33 1.28 0.03 0.00 -0.22 0.00 0.00 54.13 55.55 2pn5 s LEU 457 Cb -0.11 -3.20 0.01 0.00 0.50 0.00 0.00 46.19 43.38 2pn5 s LEU 457 CO 0.19 -0.19 -0.17 -1.10 -1.32 0.00 0.00 176.35 173.77 2pn5 s GLN 458 N 1.04 2.18 -0.01 1.98 -0.21 -1.26 -0.35 119.66 123.03 2pn5 s GLN 458 Ca 0.40 -0.60 0.00 0.00 0.02 0.00 0.00 55.36 55.19 2pn5 s GLN 458 Cb -0.18 -1.74 0.01 0.00 1.00 0.00 0.00 33.01 32.11 2pn5 s GLN 458 CO 0.19 0.11 0.00 -0.51 -2.12 0.00 0.00 175.29 172.96 2pn5 s LEU 459 N 0.48 1.57 -0.02 2.90 1.43 -0.32 -4.95 118.68 119.78 2pn5 s LEU 459 Ca -0.15 -0.00 -0.30 0.00 -1.03 0.00 0.00 54.13 52.65 2pn5 s LEU 459 Cb -0.16 -0.09 -0.05 0.00 0.03 0.00 0.00 46.19 45.91 2pn5 s LEU 459 CO 0.05 -0.05 1.39 0.20 0.23 0.00 0.00 176.35 178.18 2pn5 s ASN 460 N 0.49 6.86 -0.00 2.29 0.01 -1.26 0.17 114.94 123.49 2pn5 s ASN 460 Ca -0.04 2.08 -0.30 0.00 -0.71 0.00 0.00 52.86 53.88 2pn5 s ASN 460 Cb -0.07 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 38.98 2pn5 s ASN 460 CO -0.01 -0.72 1.39 0.00 -1.51 0.00 0.00 177.10 176.25 2pn5 s ALA 461 N 2.54 3.58 0.26 0.60 0.00 -0.93 -4.95 121.76 122.86 2pn5 s ALA 461 Ca 0.63 0.87 0.08 0.00 0.00 0.00 0.00 51.96 53.54 2pn5 s ALA 461 Cb -0.30 -3.59 -0.04 0.00 0.00 0.00 0.00 23.12 19.19 2pn5 s ALA 461 CO 0.26 -0.91 0.12 0.95 0.00 0.00 0.00 175.76 176.18 2pn5 s THR 462 N 2.38 3.96 0.43 0.00 -4.23 -1.26 -4.55 115.64 112.37 2pn5 s THR 462 Ca 0.63 -1.62 0.13 0.00 -1.18 0.00 0.00 61.69 59.66 2pn5 s THR 462 Cb -0.31 -3.16 0.17 0.00 1.34 0.00 0.00 72.50 70.54 2pn5 s THR 462 CO 0.26 -0.35 1.97 -0.08 -0.54 0.00 0.00 174.62 175.88 2pn5 h GLU 463 N 1.64 0.04 0.00 3.99 4.81 -1.96 -0.75 114.58 122.36 2pn5 h GLU 463 Ca -0.46 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 2pn5 h GLU 463 Cb 1.24 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.62 2pn5 h GLU 463 CO 0.61 0.23 0.00 0.36 -0.73 0.00 0.00 179.01 179.48 2pn5 n LYS 464 N -4.30 0.18 0.01 1.92 -0.00 -1.26 -1.74 118.16 112.97 2pn5 n LYS 464 Ca -0.02 0.17 0.12 0.00 -0.00 0.00 0.00 58.31 58.57 2pn5 n LYS 464 Cb 0.26 -1.50 0.15 0.00 -0.00 0.00 0.00 35.03 33.95 2pn5 n LYS 464 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2pn5 n MET 465 N -1.31 0.06 -3.34 -1.58 2.81 -0.29 -4.74 117.12 108.73 2pn5 n MET 465 Ca 0.06 0.01 -0.38 0.00 -1.81 0.00 0.00 57.70 55.58 2pn5 n MET 465 Cb 0.12 -1.53 -0.06 0.00 -0.71 0.00 0.00 33.22 31.04 2pn5 n MET 465 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2pn5 s ILE 466 N -3.04 4.82 -1.82 2.02 1.01 -0.71 -3.08 121.20 120.40 2pn5 s ILE 466 Ca 0.09 1.07 0.24 0.00 0.00 0.00 0.00 60.65 62.05 2pn5 s ILE 466 Cb 0.17 -3.83 0.10 0.00 0.01 0.00 0.00 42.46 38.90 2pn5 s ILE 466 CO 0.74 0.50 1.30 -0.81 0.00 0.00 0.00 174.94 176.67 2pn5 n PRO 467 N 1.57 0.94 -3.74 2.79 -0.04 -1.26 -4.99 135.00 130.26 2pn5 n PRO 467 Ca -0.10 -0.69 -0.14 0.00 -0.04 0.00 0.00 63.50 62.53 2pn5 n PRO 467 Cb 0.51 -1.49 -0.15 0.00 -0.04 0.00 0.00 33.50 32.34 2pn5 n PRO 467 CO 0.00 0.00 0.00 0.50 -0.04 0.00 0.00 175.50 175.96 2pn5 s ARG 468 N -2.54 0.05 0.21 0.54 3.52 -1.18 -3.38 118.95 116.18 2pn5 s ARG 468 Ca 0.20 0.36 -0.06 0.00 -0.13 0.00 0.00 55.73 56.10 2pn5 s ARG 468 Cb 0.18 -0.22 -0.02 0.00 -1.56 0.00 0.00 34.95 33.33 2pn5 s ARG 468 CO 0.57 -0.19 0.26 0.00 -0.81 0.00 0.00 175.30 175.14 2pn5 s ALA 469 N 1.32 0.54 0.25 6.12 0.00 -1.07 -4.57 121.76 124.35 2pn5 s ALA 469 Ca -0.07 -1.32 0.01 0.00 0.00 0.00 0.00 51.96 50.58 2pn5 s ALA 469 Cb -0.12 1.20 -0.05 0.00 0.00 0.00 0.00 23.12 24.15 2pn5 s ALA 469 CO -0.05 -0.68 0.10 -1.59 0.00 0.00 0.00 175.76 173.53 2pn5 s LYS 470 N -4.08 1.37 -0.03 0.00 0.00 -0.86 0.68 119.74 116.81 2pn5 s LYS 470 Ca 0.30 -1.74 0.01 0.00 0.00 0.00 0.00 55.97 54.54 2pn5 s LYS 470 Cb 0.04 -0.20 0.02 0.00 0.00 0.00 0.00 37.83 37.69 2pn5 s LYS 470 CO 0.09 -0.30 -0.01 -1.50 0.00 0.00 0.00 175.35 173.63 2pn5 s ILE 471 N -3.80 0.26 -0.10 3.79 2.07 -0.23 -2.16 121.20 121.04 2pn5 s ILE 471 Ca 0.37 0.03 0.02 0.00 -1.41 0.00 0.00 60.65 59.66 2pn5 s ILE 471 Cb 0.08 -0.34 -0.02 0.00 0.13 0.00 0.00 42.46 42.31 2pn5 s ILE 471 CO 0.13 0.16 -0.14 -0.22 -1.91 0.00 0.00 174.94 172.96 2pn5 s LEU 472 N 0.94 2.71 0.18 8.50 2.96 0.16 -1.64 118.68 132.49 2pn5 s LEU 472 Ca -0.10 -0.28 0.11 0.00 -0.22 0.00 0.00 54.13 53.64 2pn5 s LEU 472 Cb -0.13 -1.58 -0.04 0.00 0.50 0.00 0.00 46.19 44.93 2pn5 s LEU 472 CO -0.01 0.24 -0.20 0.27 -1.32 0.00 0.00 176.35 175.33 2pn5 s ILE 473 N -0.11 2.61 -0.12 6.68 -4.36 -0.57 0.22 121.20 125.56 2pn5 s ILE 473 Ca -0.02 -1.90 -0.29 0.00 -0.26 0.00 0.00 60.65 58.19 2pn5 s ILE 473 Cb -0.14 -2.26 0.07 0.00 1.25 0.00 0.00 42.46 41.38 2pn5 s ILE 473 CO 0.04 -0.10 0.68 0.00 0.24 0.00 0.00 174.94 175.80 2pn5 s ALA 474 N -1.64 -1.74 0.29 2.27 0.00 -0.13 -2.02 121.76 118.79 2pn5 s ALA 474 Ca 0.22 1.51 0.05 0.00 0.00 0.00 0.00 51.96 53.73 2pn5 s ALA 474 Cb -0.08 -0.36 -0.03 0.00 0.00 0.00 0.00 23.12 22.64 2pn5 s ALA 474 CO 0.11 -0.36 0.23 -0.08 0.00 0.00 0.00 175.76 175.66 2pn5 s THR 475 N -0.70 0.00 -0.20 0.00 -1.32 -0.26 -0.33 115.64 112.83 2pn5 s THR 475 Ca -0.08 -2.00 -0.05 0.00 -1.21 0.00 0.00 61.69 58.35 2pn5 s THR 475 Cb -0.02 -2.50 -0.03 0.00 -1.51 0.00 0.00 72.50 68.45 2pn5 s THR 475 CO 0.07 0.00 0.01 -0.69 -2.21 0.00 0.00 174.62 171.80 2pn5 s VAL 476 N -3.68 4.01 -0.10 5.08 1.01 -1.26 -1.75 120.40 123.72 2pn5 s VAL 476 Ca 0.40 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.11 2pn5 s VAL 476 Cb 0.04 -2.82 0.01 0.00 0.00 0.00 0.00 36.38 33.61 2pn5 s VAL 476 CO 0.22 0.42 -0.15 0.00 0.00 0.00 0.00 175.10 175.60 2pn5 s ALA 477 N 1.03 1.59 0.00 5.51 0.00 -0.36 -4.95 121.76 124.58 2pn5 s ALA 477 Ca 0.02 -0.65 0.00 0.00 0.00 0.00 0.00 51.96 51.33 2pn5 s ALA 477 Cb -0.14 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.22 2pn5 s ALA 477 CO 0.02 -0.01 0.00 0.41 0.00 0.00 0.00 175.76 176.18 2pn5 n GLY 478 N 4.07 1.08 0.52 0.00 0.00 -1.26 -1.72 105.19 107.88 2pn5 n GLY 478 Ca -0.20 0.37 -0.00 0.00 0.00 0.00 0.00 46.02 46.20 2pn5 n GLY 478 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2pn5 n ARG 479 N 0.00 0.00 -4.26 1.61 1.85 -1.26 -5.08 116.66 109.52 2pn5 n ARG 479 Ca 0.00 -0.40 -0.22 0.00 -1.00 0.00 0.00 57.85 56.24 2pn5 n ARG 479 Cb 0.00 -0.17 -0.12 0.00 -1.05 0.00 0.00 32.46 31.12 2pn5 n ARG 479 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 2pn5 s THR 480 N 0.00 1.54 -0.37 8.89 -1.32 -0.70 -2.16 115.64 121.53 2pn5 s THR 480 Ca 0.00 -1.57 -0.17 0.00 -1.21 0.00 0.00 61.69 58.74 2pn5 s THR 480 Cb 0.00 -1.48 0.00 0.00 -1.51 0.00 0.00 72.50 69.51 2pn5 s THR 480 CO -0.00 -0.18 0.47 -0.69 -2.21 0.00 0.00 174.62 172.01 2pn5 s VAL 481 N -1.44 5.05 -0.04 5.08 1.01 0.33 -1.23 120.40 129.16 2pn5 s VAL 481 Ca 0.06 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.14 2pn5 s VAL 481 Cb -0.09 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 2pn5 s VAL 481 CO 0.04 -0.26 0.07 0.68 0.00 0.00 0.00 175.10 175.63 2pn5 s VAL 482 N 2.29 4.76 0.23 2.92 -7.23 -0.72 -1.23 120.40 121.41 2pn5 s VAL 482 Ca 0.16 -0.27 0.00 0.00 -1.81 0.00 0.00 61.98 60.06 2pn5 s VAL 482 Cb -0.16 -3.12 -0.04 0.00 0.56 0.00 0.00 36.38 33.62 2pn5 s VAL 482 CO 0.13 0.45 0.14 -0.72 -0.31 0.00 0.00 175.10 174.80 2pn5 s TYR 483 N -1.10 1.29 0.18 2.82 1.13 -1.26 -1.10 117.35 119.31 2pn5 s TYR 483 Ca 0.19 -1.38 -0.16 0.00 -1.41 0.00 0.00 57.07 54.31 2pn5 s TYR 483 Cb -0.12 -0.63 0.02 0.00 -1.10 0.00 0.00 41.96 40.13 2pn5 s TYR 483 CO 0.10 -0.62 0.47 0.34 -2.51 0.00 0.00 175.55 173.33 2pn5 s ASP 484 N -3.21 -0.21 0.19 -0.18 2.15 -0.86 -4.55 116.67 110.00 2pn5 s ASP 484 Ca 0.39 -0.52 -0.04 0.00 0.43 0.00 0.00 52.55 52.80 2pn5 s ASP 484 Cb 0.07 0.54 -0.03 0.00 -0.30 0.00 0.00 42.92 43.20 2pn5 s ASP 484 CO 0.14 -1.00 0.21 0.72 -0.17 0.00 0.00 175.17 175.06 2pn5 s PHE 485 N -3.88 0.85 -0.05 -5.34 -0.71 -1.26 -1.51 117.98 106.08 2pn5 s PHE 485 Ca 0.10 -1.14 -0.22 0.00 -1.04 0.00 0.00 56.93 54.62 2pn5 s PHE 485 Cb 0.00 -0.33 0.05 0.00 -1.21 0.00 0.00 43.02 41.53 2pn5 s PHE 485 CO -0.03 -0.70 0.50 0.00 -1.34 0.00 0.00 175.22 173.64 2pn5 s ALA 486 N -4.09 -1.27 0.42 1.99 0.00 -0.65 -4.90 121.76 113.26 2pn5 s ALA 486 Ca 0.30 0.89 -0.22 0.00 0.00 0.00 0.00 51.96 52.93 2pn5 s ALA 486 Cb 0.05 -0.07 -0.10 0.00 0.00 0.00 0.00 23.12 23.00 2pn5 s ALA 486 CO 0.08 -0.31 0.97 -0.51 0.00 0.00 0.00 175.76 176.00 2pn5 s ASP 487 N -1.08 6.89 -0.69 0.00 1.01 -1.26 -1.07 116.67 120.48 2pn5 s ASP 487 Ca -0.11 1.79 0.02 0.00 0.71 0.00 0.00 52.55 54.96 2pn5 s ASP 487 Cb -0.03 -2.56 0.17 0.00 1.01 0.00 0.00 42.92 41.52 2pn5 s ASP 487 CO 0.06 -0.39 0.49 -0.76 0.21 0.00 0.00 175.17 174.78 2pn5 s LEU 488 N -2.97 4.94 -0.41 1.23 1.43 0.21 -4.87 118.68 118.24 2pn5 s LEU 488 Ca 0.60 -3.45 -0.17 0.00 -1.03 0.00 0.00 54.13 50.08 2pn5 s LEU 488 Cb -0.13 -1.74 0.02 0.00 0.03 0.00 0.00 46.19 44.37 2pn5 s LEU 488 CO 0.18 -0.19 0.40 0.00 0.23 0.00 0.00 176.35 176.97 2pn5 s ALA 489 N -0.92 3.44 -0.60 4.21 0.00 -1.26 -2.59 121.76 124.04 2pn5 s ALA 489 Ca 0.22 -1.53 -0.28 0.00 0.00 0.00 0.00 51.96 50.38 2pn5 s ALA 489 Cb -0.13 -3.00 0.02 0.00 0.00 0.00 0.00 23.12 20.01 2pn5 s ALA 489 CO -0.09 -1.51 1.40 -0.06 0.00 0.00 0.00 175.76 175.50 2pn5 s PHE 490 N 2.03 2.26 0.38 0.00 0.40 -1.22 -4.77 117.98 117.07 2pn5 s PHE 490 Ca 0.11 0.38 0.06 0.00 -0.60 0.00 0.00 56.93 56.88 2pn5 s PHE 490 Cb -0.17 -4.43 0.77 0.00 0.51 0.00 0.00 43.02 39.70 2pn5 s PHE 490 CO 0.13 -1.99 2.01 -0.56 0.70 0.00 0.00 175.22 175.50 2pn5 h GLN 491 N 11.04 0.57 0.00 0.44 -0.00 -1.91 -1.71 115.11 123.53 2pn5 h GLN 491 Ca -0.27 -0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.33 2pn5 h GLN 491 Cb 1.09 -0.12 0.00 0.00 -0.00 0.00 0.00 27.48 28.45 2pn5 h GLN 491 CO 1.20 0.43 0.00 1.05 -0.00 0.00 0.00 178.83 181.51 2pn5 h GLU 492 N 0.57 0.00 -0.34 0.06 9.09 -1.90 -2.78 114.58 119.29 2pn5 h GLU 492 Ca 0.15 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.56 2pn5 h GLU 492 Cb 0.03 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.13 2pn5 h GLU 492 CO -0.02 0.00 0.00 1.28 0.05 0.00 0.00 179.01 180.32 2pn5 n LEU 493 N -3.00 3.00 -4.95 3.06 4.77 -0.66 -5.03 117.00 114.19 2pn5 n LEU 493 Ca -0.00 -2.08 -0.22 0.00 -0.03 0.00 0.00 56.01 53.67 2pn5 n LEU 493 Cb 0.22 -0.25 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 2pn5 n LEU 493 CO 0.24 0.73 -0.07 -0.60 -1.33 0.00 0.00 177.39 176.36 2pn5 s ARG 494 N -1.14 3.38 -0.56 3.23 6.06 -1.05 -4.79 118.95 124.07 2pn5 s ARG 494 Ca 0.24 -0.76 -0.20 0.00 -2.50 0.00 0.00 55.73 52.52 2pn5 s ARG 494 Cb 0.14 -2.87 0.07 0.00 0.06 0.00 0.00 34.95 32.35 2pn5 s ARG 494 CO 0.15 0.45 0.73 1.21 -2.50 0.00 0.00 175.30 175.34 2pn5 s ASN 495 N -3.79 6.21 -1.18 -2.12 2.47 -1.25 -4.95 114.94 110.33 2pn5 s ASN 495 Ca 0.34 -1.06 -0.06 0.00 0.42 0.00 0.00 52.86 52.50 2pn5 s ASN 495 Cb -0.09 -2.33 0.04 0.00 -1.45 0.00 0.00 41.25 37.42 2pn5 s ASN 495 CO 0.28 -1.08 2.64 -0.46 -3.72 0.00 0.00 177.10 174.77 2pn5 n ASN 496 N 6.56 7.81 -4.74 -4.21 6.94 -1.26 -4.42 115.26 121.94 2pn5 n ASN 496 Ca -0.06 -2.99 -0.40 0.00 -0.02 0.00 0.00 54.58 51.10 2pn5 n ASN 496 Cb 0.44 -1.39 -0.05 0.00 -2.36 0.00 0.00 39.78 36.43 2pn5 n ASN 496 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 2pn5 s PHE 497 N -0.41 3.86 -0.11 -2.53 5.36 -1.26 -4.21 117.98 118.68 2pn5 s PHE 497 Ca 0.59 1.83 -0.10 0.00 -0.96 0.00 0.00 56.93 58.29 2pn5 s PHE 497 Cb 0.22 -3.06 0.03 0.00 -0.34 0.00 0.00 43.02 39.87 2pn5 s PHE 497 CO -0.10 0.19 0.29 0.34 -1.46 0.00 0.00 175.22 174.48 2pn5 s ASP 498 N -0.69 -0.30 -0.04 6.13 2.15 -0.13 -4.50 116.67 119.29 2pn5 s ASP 498 Ca 0.44 0.57 0.04 0.00 0.43 0.00 0.00 52.55 54.03 2pn5 s ASP 498 Cb -0.26 0.59 -0.00 0.00 -0.30 0.00 0.00 42.92 42.95 2pn5 s ASP 498 CO 0.32 -0.11 -0.15 -0.22 -0.17 0.00 0.00 175.17 174.84 2pn5 s LEU 499 N 0.10 1.88 0.06 -1.34 0.20 -1.26 -1.33 118.68 117.00 2pn5 s LEU 499 Ca -0.00 -0.32 -0.04 0.00 0.69 0.00 0.00 54.13 54.45 2pn5 s LEU 499 Cb -0.02 -0.89 -0.02 0.00 -0.43 0.00 0.00 46.19 44.83 2pn5 s LEU 499 CO 0.01 0.13 0.06 -0.94 -0.29 0.00 0.00 176.35 175.32 2pn5 s SER 500 N 0.08 0.33 0.04 3.68 1.04 0.71 -5.01 113.70 114.58 2pn5 s SER 500 Ca -0.04 -0.83 0.08 0.00 0.48 0.00 0.00 55.95 55.64 2pn5 s SER 500 Cb -0.11 0.25 -0.03 0.00 0.10 0.00 0.00 66.02 66.24 2pn5 s SER 500 CO 0.02 -0.64 -0.24 -0.51 0.98 0.00 0.00 173.24 172.85 2pn5 s ILE 501 N -3.78 1.95 0.28 -1.02 1.10 -1.26 -1.67 121.20 116.81 2pn5 s ILE 501 Ca 0.05 -1.27 -0.30 0.00 -0.51 0.00 0.00 60.65 58.62 2pn5 s ILE 501 Cb 0.06 -1.67 -0.12 0.00 0.15 0.00 0.00 42.46 40.89 2pn5 s ILE 501 CO -0.10 0.34 1.59 -0.90 -2.11 0.00 0.00 174.94 173.77 2pn5 n ASP 502 N 1.91 3.80 -3.69 4.50 5.68 -1.24 -4.81 116.55 122.70 2pn5 n ASP 502 Ca -0.17 1.14 -0.43 0.00 -0.50 0.00 0.00 54.79 54.84 2pn5 n ASP 502 Cb 0.52 -1.58 -0.03 0.00 -1.14 0.00 0.00 41.12 38.89 2pn5 n ASP 502 CO 0.00 0.00 0.00 -0.62 -1.33 0.00 0.00 177.20 175.25 2pn5 n GLU 503 N 2.27 2.11 -4.01 0.11 1.02 -1.26 -4.77 120.64 116.10 2pn5 n GLU 503 Ca 0.09 -2.19 -0.11 0.00 -0.02 0.00 0.00 57.16 54.93 2pn5 n GLU 503 Cb 0.36 -3.09 -0.04 0.00 -0.02 0.00 0.00 31.44 28.65 2pn5 n GLU 503 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2pn5 s GLN 504 N 4.22 1.71 -0.14 3.49 -0.21 -1.26 -5.12 119.66 122.35 2pn5 s GLN 504 Ca 0.53 -1.42 -0.29 0.00 0.02 0.00 0.00 55.36 54.20 2pn5 s GLN 504 Cb 0.14 0.47 -0.02 0.00 1.00 0.00 0.00 33.01 34.61 2pn5 s GLN 504 CO 0.03 -0.72 1.25 -1.21 -2.12 0.00 0.00 175.29 172.52 2pn5 s GLU 505 N -3.58 4.25 -0.05 2.91 2.02 -1.26 -5.01 118.70 117.98 2pn5 s GLU 505 Ca 0.24 1.67 -0.30 0.00 0.02 0.00 0.00 54.97 56.60 2pn5 s GLU 505 Cb -0.01 -3.73 -0.02 0.00 0.10 0.00 0.00 34.13 30.47 2pn5 s GLU 505 CO 0.12 -0.66 1.01 0.42 0.02 0.00 0.00 175.26 176.17 2pn5 s ILE 506 N 3.26 4.79 -0.10 -1.63 1.09 -1.26 -5.03 121.20 122.31 2pn5 s ILE 506 Ca 0.55 2.02 0.03 0.00 -1.10 0.00 0.00 60.65 62.15 2pn5 s ILE 506 Cb -0.22 -4.30 0.01 0.00 -1.06 0.00 0.00 42.46 36.89 2pn5 s ILE 506 CO 0.16 0.07 -0.19 -0.54 -0.10 0.00 0.00 174.94 174.34 2pn5 s LYS 507 N 1.56 2.60 0.17 2.79 1.02 -1.26 -4.57 119.74 122.05 2pn5 s LYS 507 Ca 0.50 -0.71 -0.33 0.00 0.02 0.00 0.00 55.97 55.45 2pn5 s LYS 507 Cb -0.20 -2.07 -0.15 0.00 -0.52 0.00 0.00 37.83 34.89 2pn5 s LYS 507 CO 0.23 0.05 1.25 -0.35 -0.92 0.00 0.00 175.35 175.61 2pn5 n PRO 508 N 3.85 1.33 0.00 -1.68 -0.04 -1.26 -1.84 135.00 135.36 2pn5 n PRO 508 Ca -0.20 0.47 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2pn5 n PRO 508 Cb 0.52 -2.03 0.00 0.00 -0.04 0.00 0.00 33.50 31.95 2pn5 n PRO 508 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2pn5 n GLY 509 N 2.18 2.35 3.84 0.55 0.00 0.94 -4.89 105.19 110.17 2pn5 n GLY 509 Ca 0.15 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 2pn5 n GLY 509 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pn5 s ARG 510 N 0.00 0.48 0.14 1.61 0.52 -0.77 -4.65 118.95 116.28 2pn5 s ARG 510 Ca 0.00 -0.20 0.05 0.00 -0.52 0.00 0.00 55.73 55.06 2pn5 s ARG 510 Cb 0.00 -1.81 -0.04 0.00 0.52 0.00 0.00 34.95 33.62 2pn5 s ARG 510 CO 0.00 -2.55 0.06 1.14 0.02 0.00 0.00 175.30 173.97 2pn5 s GLN 511 N -5.69 2.70 0.15 3.54 -2.07 -1.26 -1.14 119.66 115.89 2pn5 s GLN 511 Ca 0.71 -0.89 0.06 0.00 -1.82 0.00 0.00 55.36 53.42 2pn5 s GLN 511 Cb -0.07 -2.57 -0.04 0.00 -1.09 0.00 0.00 33.01 29.24 2pn5 s GLN 511 CO 0.53 0.50 -0.14 0.96 -1.32 0.00 0.00 175.29 175.83 2pn5 s ILE 512 N -1.59 1.41 -0.22 3.63 -4.36 0.91 -4.91 121.20 116.07 2pn5 s ILE 512 Ca 0.29 -1.90 -0.04 0.00 -0.26 0.00 0.00 60.65 58.73 2pn5 s ILE 512 Cb -0.11 -1.72 -0.01 0.00 1.25 0.00 0.00 42.46 41.87 2pn5 s ILE 512 CO 0.21 -0.51 -0.02 -0.70 0.24 0.00 0.00 174.94 174.15 2pn5 s GLU 513 N -3.09 3.46 -0.22 0.37 2.12 -1.26 -0.74 118.70 119.34 2pn5 s GLU 513 Ca 0.14 -0.59 -0.15 0.00 0.36 0.00 0.00 54.97 54.73 2pn5 s GLU 513 Cb -0.03 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.27 2pn5 s GLU 513 CO 0.04 -0.14 0.39 -0.51 -0.54 0.00 0.00 175.26 174.49 2pn5 s LEU 514 N 1.36 4.13 -0.18 2.70 1.02 0.17 -3.66 118.68 124.22 2pn5 s LEU 514 Ca 0.04 0.46 -0.05 0.00 0.02 0.00 0.00 54.13 54.60 2pn5 s LEU 514 Cb -0.14 -2.48 -0.03 0.00 0.02 0.00 0.00 46.19 43.55 2pn5 s LEU 514 CO -0.01 -0.09 -0.00 -0.44 0.02 0.00 0.00 176.35 175.82 2pn5 s SER 515 N 1.15 4.97 0.00 2.29 0.01 -0.67 -1.46 113.70 120.00 2pn5 s SER 515 Ca 0.18 -0.11 -0.01 0.00 1.31 0.00 0.00 55.95 57.31 2pn5 s SER 515 Cb -0.15 -1.83 -0.01 0.00 0.21 0.00 0.00 66.02 64.24 2pn5 s SER 515 CO 0.08 0.13 0.02 0.00 0.41 0.00 0.00 173.24 173.88 2pn5 s MET 516 N 0.60 0.23 0.07 12.44 0.23 -0.33 -0.20 119.30 132.33 2pn5 s MET 516 Ca -0.01 -0.33 0.03 0.00 -1.03 0.00 0.00 55.69 54.35 2pn5 s MET 516 Cb -0.14 0.09 -0.03 0.00 -1.53 0.00 0.00 34.83 33.22 2pn5 s MET 516 CO 0.02 -0.04 -0.09 -1.54 -2.03 0.00 0.00 175.02 171.34 2pn5 s SER 517 N -0.88 1.15 0.00 -1.18 1.04 -0.44 -0.59 113.70 112.79 2pn5 s SER 517 Ca -0.10 -0.74 0.00 0.00 0.48 0.00 0.00 55.95 55.59 2pn5 s SER 517 Cb -0.06 0.04 0.00 0.00 0.10 0.00 0.00 66.02 66.10 2pn5 s SER 517 CO -0.00 -0.28 0.00 0.61 0.98 0.00 0.00 173.24 174.55 2pn5 n GLY 518 N 0.83 -0.99 3.80 7.32 0.00 -0.86 -0.95 105.19 114.33 2pn5 n GLY 518 Ca -0.18 0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 2pn5 n GLY 518 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pn5 s ARG 519 N -0.13 4.10 0.22 1.61 1.81 -1.26 -4.70 118.95 120.59 2pn5 s ARG 519 Ca 0.00 0.49 -0.19 0.00 -1.72 0.00 0.00 55.73 54.31 2pn5 s ARG 519 Cb 0.00 -3.29 0.20 0.00 -0.45 0.00 0.00 34.95 31.42 2pn5 s ARG 519 CO 0.00 0.53 1.56 -1.35 -0.68 0.00 0.00 175.30 175.36 2pn5 h PRO 520 N 5.23 -0.04 0.00 3.54 0.11 -1.87 -0.83 132.00 138.15 2pn5 h PRO 520 Ca -0.48 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 2pn5 h PRO 520 Cb 1.21 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 2pn5 h PRO 520 CO 0.66 -0.03 -0.38 0.78 -0.21 0.00 0.00 178.00 178.82 2pn5 h GLY 521 N -0.05 0.00 -4.73 -0.55 0.00 -1.94 -0.10 103.07 95.71 2pn5 h GLY 521 Ca 0.31 0.00 -0.63 0.00 0.00 0.00 0.00 47.33 47.02 2pn5 h GLY 521 CO -0.91 0.00 0.13 0.00 0.00 0.00 0.00 176.54 175.76 2pn5 n ALA 522 N -2.38 -0.64 -1.76 3.60 0.00 -0.32 -4.54 120.51 114.47 2pn5 n ALA 522 Ca -0.01 0.42 -0.40 0.00 0.00 0.00 0.00 53.44 53.45 2pn5 n ALA 522 Cb 0.45 -1.99 -0.05 0.00 0.00 0.00 0.00 19.45 17.86 2pn5 n ALA 522 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2pn5 s TYR 523 N -0.73 3.78 -0.09 0.00 5.04 -0.13 -2.18 117.35 123.04 2pn5 s TYR 523 Ca 0.64 1.81 0.02 0.00 -2.44 0.00 0.00 57.07 57.11 2pn5 s TYR 523 Cb -0.77 -3.09 0.01 0.00 0.35 0.00 0.00 41.96 38.46 2pn5 s TYR 523 CO 0.57 0.02 -0.15 0.08 -1.34 0.00 0.00 175.55 174.72 2pn5 s VAL 524 N -1.24 1.43 -0.18 3.14 1.01 0.13 -1.46 120.40 123.23 2pn5 s VAL 524 Ca 0.44 -0.63 -0.02 0.00 0.00 0.00 0.00 61.98 61.77 2pn5 s VAL 524 Cb -0.27 -1.30 -0.01 0.00 0.00 0.00 0.00 36.38 34.80 2pn5 s VAL 524 CO 0.34 0.42 -0.08 -0.83 0.00 0.00 0.00 175.10 174.96 2pn5 s GLY 525 N 0.78 1.59 0.14 4.51 0.00 -0.75 -0.73 107.32 112.86 2pn5 s GLY 525 Ca -0.11 -1.03 0.09 0.00 0.00 0.00 0.00 44.72 43.66 2pn5 s GLY 525 CO 0.02 0.15 -0.14 1.08 0.00 0.00 0.00 173.10 174.20 2pn5 s LEU 526 N 0.94 2.83 -0.25 0.66 1.43 0.35 -2.21 118.68 122.42 2pn5 s LEU 526 Ca -0.01 -0.56 -0.23 0.00 -1.03 0.00 0.00 54.13 52.29 2pn5 s LEU 526 Cb -0.15 -1.60 0.07 0.00 0.03 0.00 0.00 46.19 44.54 2pn5 s LEU 526 CO 0.00 0.15 0.67 0.00 0.23 0.00 0.00 176.35 177.40 2pn5 s ALA 527 N -1.39 -1.66 -0.04 4.21 0.00 -0.81 -3.15 121.76 118.92 2pn5 s ALA 527 Ca 0.21 1.91 0.04 0.00 0.00 0.00 0.00 51.96 54.12 2pn5 s ALA 527 Cb -0.10 -1.11 -0.00 0.00 0.00 0.00 0.00 23.12 21.91 2pn5 s ALA 527 CO 0.12 -0.32 -0.17 0.00 0.00 0.00 0.00 175.76 175.39 2pn5 s ALA 528 N 0.42 1.51 -0.03 0.00 0.00 -1.14 -0.61 121.76 121.91 2pn5 s ALA 528 Ca -0.01 -0.69 0.04 0.00 0.00 0.00 0.00 51.96 51.31 2pn5 s ALA 528 Cb -0.05 -0.50 -0.01 0.00 0.00 0.00 0.00 23.12 22.57 2pn5 s ALA 528 CO -0.00 0.28 -0.17 0.71 0.00 0.00 0.00 175.76 176.58 2pn5 s TYR 529 N 0.02 1.64 0.17 0.00 1.51 -0.44 -4.42 117.35 115.82 2pn5 s TYR 529 Ca -0.03 -0.43 -0.29 0.00 -1.01 0.00 0.00 57.07 55.31 2pn5 s TYR 529 Cb -0.11 -1.09 -0.08 0.00 -0.11 0.00 0.00 41.96 40.57 2pn5 s TYR 529 CO 0.02 -0.13 0.90 0.16 -1.11 0.00 0.00 175.55 175.39 2pn5 s ASP 530 N -0.07 7.52 0.58 2.29 -4.77 -1.26 -0.40 116.67 120.57 2pn5 s ASP 530 Ca -0.01 1.80 0.34 0.00 -3.30 0.00 0.00 52.55 51.38 2pn5 s ASP 530 Cb -0.10 -2.57 1.79 0.00 -1.09 0.00 0.00 42.92 40.95 2pn5 s ASP 530 CO 0.01 0.09 2.18 0.11 0.70 0.00 0.00 175.17 178.27 2pn5 h LYS 531 N 4.73 0.00 -0.75 2.11 1.57 -1.77 -0.05 116.57 122.41 2pn5 h LYS 531 Ca -0.45 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.46 2pn5 h LYS 531 Cb 1.20 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.46 2pn5 h LYS 531 CO 0.69 0.05 0.50 0.00 -0.57 0.00 0.00 179.45 180.12 2pn5 h ALA 532 N 1.95 1.95 0.02 3.86 0.00 -1.92 1.03 119.26 126.15 2pn5 h ALA 532 Ca -0.00 -0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.65 2pn5 h ALA 532 Cb 0.20 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2pn5 h ALA 532 CO 0.01 -0.13 -1.32 1.25 0.00 0.00 0.00 179.25 179.05 2pn5 h LEU 533 N 0.55 0.06 -0.59 0.00 5.85 -1.41 -3.29 115.31 116.48 2pn5 h LEU 533 Ca 0.36 -0.08 -0.15 0.00 0.84 0.00 0.00 57.88 58.85 2pn5 h LEU 533 Cb 0.65 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.64 2pn5 h LEU 533 CO -0.13 1.07 -0.70 -0.07 -0.34 0.00 0.00 178.44 178.27 2pn5 h LEU 534 N 0.01 0.01 0.88 2.25 3.38 -1.01 -3.37 115.31 117.46 2pn5 h LEU 534 Ca -0.14 -0.01 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 2pn5 h LEU 534 Cb 1.89 -0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.65 2pn5 h LEU 534 CO 0.12 0.71 -0.42 0.25 0.09 0.00 0.00 178.44 179.19 2pn5 h LEU 535 N 0.01 -1.00 -1.56 1.67 5.85 0.10 -2.71 115.31 117.67 2pn5 h LEU 535 Ca -0.01 0.03 0.25 0.00 0.84 0.00 0.00 57.88 59.00 2pn5 h LEU 535 Cb 1.24 0.26 -0.07 0.00 0.37 0.00 0.00 40.66 42.46 2pn5 h LEU 535 CO 0.09 -0.66 0.66 -0.26 -0.34 0.00 0.00 178.44 177.93 2pn5 h PHE 536 N -1.29 0.47 -1.83 1.25 -1.00 -1.72 -3.26 116.94 109.56 2pn5 h PHE 536 Ca -0.12 0.02 -0.48 0.00 2.81 0.00 0.00 57.97 60.20 2pn5 h PHE 536 Cb 0.90 -0.14 -0.33 0.00 3.61 0.00 0.00 35.95 40.00 2pn5 h PHE 536 CO 0.01 0.08 -0.90 0.27 -1.61 0.00 0.00 178.31 176.16 2pn5 n ASN 537 N -4.49 -0.98 -0.49 2.17 6.94 -1.22 -4.88 115.26 112.30 2pn5 n ASN 537 Ca 0.22 -2.64 0.11 0.00 -0.02 0.00 0.00 54.58 52.26 2pn5 n ASN 537 Cb 0.86 -0.00 -0.01 0.00 -2.36 0.00 0.00 39.78 38.27 2pn5 n ASN 537 CO 0.00 0.00 0.00 2.29 -1.03 0.00 0.00 177.26 178.52 2pn5 n LYS 538 N 2.32 1.26 0.24 -3.83 2.85 -1.02 -4.43 118.16 115.55 2pn5 n LYS 538 Ca 0.24 -0.99 0.07 0.00 -1.05 0.00 0.00 58.31 56.57 2pn5 n LYS 538 Cb 0.52 -1.46 0.56 0.00 -0.65 0.00 0.00 35.03 34.00 2pn5 n LYS 538 CO 0.00 0.00 0.00 -2.95 -0.05 0.00 0.00 177.40 174.40 2pn5 h ASN 539 N 2.39 0.00 -3.51 -5.58 -1.07 -1.88 -3.44 115.58 102.49 2pn5 h ASN 539 Ca 0.00 0.00 -0.34 0.00 0.07 0.00 0.00 56.30 56.03 2pn5 h ASN 539 Cb 0.74 0.00 0.13 0.00 -2.07 0.00 0.00 38.32 37.12 2pn5 h ASN 539 CO 0.00 0.12 0.31 1.57 0.07 0.00 0.00 177.43 179.51 2pn5 n HIS 540 N -4.36 -3.95 -2.69 4.14 -0.00 -1.26 -5.01 115.22 102.09 2pn5 n HIS 540 Ca -0.03 -0.93 -0.43 0.00 0.46 0.00 0.00 57.72 56.79 2pn5 n HIS 540 Cb 0.19 -0.78 -0.03 0.00 -0.12 0.00 0.00 29.99 29.25 2pn5 n HIS 540 CO 0.00 0.00 0.00 -0.51 0.46 0.00 0.00 176.34 176.29 2pn5 s ASP 541 N -4.74 6.78 0.51 0.26 1.01 -1.26 -5.03 116.67 114.19 2pn5 s ASP 541 Ca 0.58 0.76 -0.21 0.00 0.71 0.00 0.00 52.55 54.39 2pn5 s ASP 541 Cb -0.02 -2.51 -0.06 0.00 1.01 0.00 0.00 42.92 41.34 2pn5 s ASP 541 CO 0.41 -0.94 1.17 -0.76 0.21 0.00 0.00 175.17 175.25 2pn5 s LEU 542 N 3.74 3.88 0.11 1.23 1.02 -1.26 -4.97 118.68 122.43 2pn5 s LEU 542 Ca 0.43 2.30 -0.13 0.00 0.02 0.00 0.00 54.13 56.75 2pn5 s LEU 542 Cb -0.11 -4.39 -0.10 0.00 0.02 0.00 0.00 46.19 41.61 2pn5 s LEU 542 CO 0.20 -1.13 1.39 0.15 0.02 0.00 0.00 176.35 176.98 2pn5 h PHE 543 N 1.62 1.01 -0.23 0.29 3.57 -1.96 -3.04 116.94 118.21 2pn5 h PHE 543 Ca -0.50 -0.35 -0.08 0.00 3.53 0.00 0.00 57.97 60.56 2pn5 h PHE 543 Cb 1.26 -0.19 -0.01 0.00 2.79 0.00 0.00 35.95 39.79 2pn5 h PHE 543 CO 0.51 1.16 -0.22 2.35 -2.23 0.00 0.00 178.31 179.88 2pn5 h TRP 544 N 0.57 0.45 -0.45 0.41 2.91 -1.98 0.14 115.95 118.00 2pn5 h TRP 544 Ca 0.02 -0.09 -0.14 0.00 1.13 0.00 0.00 58.89 59.81 2pn5 h TRP 544 Cb 1.08 -0.12 -0.01 0.00 -0.51 0.00 0.00 29.16 29.61 2pn5 h TRP 544 CO 0.08 0.61 -0.27 0.93 -1.03 0.00 0.00 178.44 178.76 2pn5 h GLU 545 N 0.37 0.96 -0.01 2.65 5.08 -1.97 -1.73 114.58 119.92 2pn5 h GLU 545 Ca 0.06 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 57.99 2pn5 h GLU 545 Cb 0.60 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2pn5 h GLU 545 CO 0.04 1.10 0.01 -0.44 -1.00 0.00 0.00 179.01 178.72 2pn5 h ASP 546 N 0.81 0.01 -0.20 1.42 3.32 -1.27 -1.89 116.42 118.63 2pn5 h ASP 546 Ca 0.10 -0.09 -0.14 0.00 0.02 0.00 0.00 57.03 56.92 2pn5 h ASP 546 Cb 0.84 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.38 2pn5 h ASP 546 CO 0.07 0.10 -0.35 -0.29 -1.72 0.00 0.00 179.24 177.05 2pn5 h ILE 547 N -0.07 1.28 -0.08 0.35 -0.00 -1.00 -2.72 117.51 115.27 2pn5 h ILE 547 Ca 0.00 -1.51 -0.17 0.00 -0.00 0.00 0.00 64.86 63.19 2pn5 h ILE 547 Cb 0.09 1.42 -0.01 0.00 -0.00 0.00 0.00 36.82 38.32 2pn5 h ILE 547 CO -0.00 0.49 -0.66 1.23 -0.00 0.00 0.00 178.15 179.21 2pn5 h GLY 548 N 0.96 0.38 0.87 8.18 0.00 -1.31 -3.00 103.07 109.15 2pn5 h GLY 548 Ca 0.06 -0.51 -0.04 0.00 0.00 0.00 0.00 47.33 46.85 2pn5 h GLY 548 CO 0.08 0.45 0.03 -1.61 0.00 0.00 0.00 176.54 175.49 2pn5 h GLN 549 N 0.25 0.46 -0.21 4.80 4.15 -1.23 -3.12 115.11 120.21 2pn5 h GLN 549 Ca -0.02 -0.13 -0.04 0.00 0.77 0.00 0.00 58.65 59.23 2pn5 h GLN 549 Cb 1.21 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.84 2pn5 h GLN 549 CO 0.11 0.59 -0.06 0.28 -1.93 0.00 0.00 178.83 177.81 2pn5 h VAL 550 N 0.26 1.17 -0.61 2.39 2.07 -1.49 0.48 116.25 120.52 2pn5 h VAL 550 Ca 0.08 -0.70 0.11 0.00 0.82 0.00 0.00 66.70 67.02 2pn5 h VAL 550 Cb 0.36 1.08 -0.04 0.00 -1.52 0.00 0.00 31.29 31.17 2pn5 h VAL 550 CO 0.01 0.23 0.41 0.15 0.02 0.00 0.00 177.57 178.39 2pn5 h PHE 551 N 0.31 0.38 0.00 1.57 3.57 -1.46 -3.40 116.94 117.91 2pn5 h PHE 551 Ca 0.07 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.58 2pn5 h PHE 551 Cb 0.31 -0.12 0.00 0.00 2.79 0.00 0.00 35.95 38.93 2pn5 h PHE 551 CO 0.01 0.17 0.00 -0.25 -2.23 0.00 0.00 178.31 176.01 2pn5 n ASP 552 N -4.46 0.00 0.00 0.41 8.00 0.04 -5.13 116.55 115.41 2pn5 n ASP 552 Ca 0.10 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.60 2pn5 n ASP 552 Cb 0.43 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 2pn5 n ASP 552 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pn5 n GLY 553 N 3.83 4.66 3.56 0.44 0.00 -0.49 -5.09 105.19 112.10 2pn5 n GLY 553 Ca 0.00 -0.63 -0.25 0.00 0.00 0.00 0.00 46.02 45.13 2pn5 n GLY 553 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2pn5 s PHE 554 N 3.90 2.42 0.11 1.61 0.40 -0.86 -4.40 117.98 121.17 2pn5 s PHE 554 Ca 0.00 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 2pn5 s PHE 554 Cb 0.00 -1.37 -0.00 0.00 0.51 0.00 0.00 43.02 42.16 2pn5 s PHE 554 CO 0.00 0.58 0.01 1.58 0.70 0.00 0.00 175.22 178.09 2pn5 n HIS 555 N -0.81 0.19 0.00 0.36 -0.00 -1.26 -4.34 115.22 109.36 2pn5 n HIS 555 Ca -0.05 -0.58 0.00 0.00 0.46 0.00 0.00 57.72 57.55 2pn5 n HIS 555 Cb 0.63 -0.05 0.00 0.00 -0.12 0.00 0.00 29.99 30.45 2pn5 n HIS 555 CO 0.00 0.00 0.00 -0.85 0.46 0.00 0.00 176.34 175.95 2pn5 n GLU 559 N -0.26 0.43 0.00 1.57 -0.00 -1.26 -5.05 120.64 116.08 2pn5 n GLU 559 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.12 2pn5 n GLU 559 Cb 0.14 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.58 2pn5 n GLU 559 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.13 175.42 2pn5 n ASN 560 N -0.64 0.00 -4.28 -1.84 5.15 -1.26 -4.78 115.26 107.62 2pn5 n ASN 560 Ca 0.00 0.00 -0.24 0.00 -0.60 0.00 0.00 54.58 53.74 2pn5 n ASN 560 Cb 0.00 0.00 -0.13 0.00 -0.53 0.00 0.00 39.78 39.12 2pn5 n ASN 560 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 2pn5 s GLU 561 N 0.00 1.18 -0.31 1.20 -1.05 -1.26 -5.09 118.70 113.38 2pn5 s GLU 561 Ca 0.00 -1.11 -0.37 0.00 -0.15 0.00 0.00 54.97 53.34 2pn5 s GLU 561 Cb 0.00 -1.41 -0.13 0.00 -0.44 0.00 0.00 34.13 32.15 2pn5 s GLU 561 CO 0.00 0.34 2.03 0.34 0.95 0.00 0.00 175.26 178.92 2pn5 n PHE 562 N 1.27 1.79 -3.52 4.83 7.35 -1.26 -4.95 117.46 122.97 2pn5 n PHE 562 Ca -0.19 0.34 -0.42 0.00 -0.76 0.00 0.00 57.45 56.42 2pn5 n PHE 562 Cb 0.53 -2.52 -0.10 0.00 0.35 0.00 0.00 39.48 37.75 2pn5 n PHE 562 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2pn5 s ASP 563 N 5.85 5.93 0.28 -2.13 -1.08 -1.26 -4.97 116.67 119.29 2pn5 s ASP 563 Ca 1.05 -1.04 0.00 0.00 -0.52 0.00 0.00 52.55 52.04 2pn5 s ASP 563 Cb -0.93 -2.09 0.50 0.00 -1.46 0.00 0.00 42.92 38.94 2pn5 s ASP 563 CO 0.55 -0.46 1.85 -0.29 0.52 0.00 0.00 175.17 177.34 2pn5 h ILE 564 N 5.78 0.98 -0.21 4.11 2.10 -1.93 -0.91 117.51 127.43 2pn5 h ILE 564 Ca -0.26 -0.36 -0.06 0.00 1.08 0.00 0.00 64.86 65.25 2pn5 h ILE 564 Cb 1.11 -0.18 -0.01 0.00 -1.09 0.00 0.00 36.82 36.66 2pn5 h ILE 564 CO 0.72 0.19 -0.11 -0.26 -1.08 0.00 0.00 178.15 177.62 2pn5 h PHE 565 N 1.06 0.52 -0.52 2.19 -1.00 -1.93 0.16 116.94 117.41 2pn5 h PHE 565 Ca 0.48 -0.13 0.10 0.00 2.81 0.00 0.00 57.97 61.23 2pn5 h PHE 565 Cb 0.38 -0.12 -0.10 0.00 3.61 0.00 0.00 35.95 39.72 2pn5 h PHE 565 CO -0.00 0.74 -0.17 0.45 -1.61 0.00 0.00 178.31 177.72 2pn5 h HIS 566 N 0.15 -0.38 -0.00 -0.55 3.86 -1.44 0.61 115.15 117.39 2pn5 h HIS 566 Ca 0.05 0.05 -0.16 0.00 -1.16 0.00 0.00 60.37 59.15 2pn5 h HIS 566 Cb 0.61 0.25 -0.02 0.00 1.06 0.00 0.00 27.41 29.30 2pn5 h HIS 566 CO 0.06 -0.26 -0.74 0.66 0.86 0.00 0.00 177.93 178.51 2pn5 h SER 567 N -0.04 0.03 0.77 2.45 4.64 -0.85 -2.77 113.55 117.79 2pn5 h SER 567 Ca 0.25 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2pn5 h SER 567 Cb 0.42 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 2pn5 h SER 567 CO -0.56 0.76 0.00 0.18 -0.87 0.00 0.00 176.83 176.34 2pn5 n LEU 568 N -3.67 0.00 0.00 5.97 4.77 0.53 -2.02 117.00 122.58 2pn5 n LEU 568 Ca -0.01 0.45 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 2pn5 n LEU 568 Cb 0.72 -0.45 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 2pn5 n LEU 568 CO 0.44 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2pn5 n GLY 569 N 1.06 1.07 3.35 -0.72 0.00 -0.81 -4.90 105.19 104.23 2pn5 n GLY 569 Ca 0.08 -0.44 -0.18 0.00 0.00 0.00 0.00 46.02 45.48 2pn5 n GLY 569 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2pn5 s LEU 570 N 0.00 1.48 0.15 0.99 0.05 0.14 -1.27 118.68 120.23 2pn5 s LEU 570 Ca 0.00 -1.66 0.09 0.00 0.05 0.00 0.00 54.13 52.61 2pn5 s LEU 570 Cb 0.00 0.86 -0.04 0.00 -2.05 0.00 0.00 46.19 44.96 2pn5 s LEU 570 CO 0.00 -1.14 -0.21 0.72 -0.55 0.00 0.00 176.35 175.17 2pn5 s PHE 571 N -3.33 1.94 0.08 3.48 -0.71 0.16 -3.46 117.98 116.14 2pn5 s PHE 571 Ca 0.37 -0.43 0.08 0.00 -1.04 0.00 0.00 56.93 55.92 2pn5 s PHE 571 Cb 0.02 -1.00 -0.03 0.00 -1.21 0.00 0.00 43.02 40.79 2pn5 s PHE 571 CO 0.25 0.33 -0.21 0.00 -1.34 0.00 0.00 175.22 174.24 2pn5 s ALA 572 N -1.63 1.84 -0.00 1.99 0.00 -1.26 -2.77 121.76 119.92 2pn5 s ALA 572 Ca 0.14 -1.19 -0.04 0.00 0.00 0.00 0.00 51.96 50.86 2pn5 s ALA 572 Cb -0.08 -0.29 -0.00 0.00 0.00 0.00 0.00 23.12 22.74 2pn5 s ALA 572 CO 0.06 0.39 0.07 1.03 0.00 0.00 0.00 175.76 177.32 2pn5 s ARG 573 N -1.64 0.34 0.25 0.00 1.81 -0.47 -5.01 118.95 114.23 2pn5 s ARG 573 Ca 0.07 -0.35 -0.03 0.00 -1.72 0.00 0.00 55.73 53.70 2pn5 s ARG 573 Cb -0.10 0.14 0.01 0.00 -0.45 0.00 0.00 34.95 34.56 2pn5 s ARG 573 CO 0.03 -0.07 0.38 -2.37 -0.68 0.00 0.00 175.30 172.60 2pn5 n THR 574 N 1.86 0.00 -1.66 0.02 5.66 -1.26 -1.12 114.28 117.78 2pn5 n THR 574 Ca -0.21 -1.08 -0.42 0.00 -3.05 0.00 0.00 64.05 59.29 2pn5 n THR 574 Cb 0.56 0.73 0.00 0.00 -1.55 0.00 0.00 70.33 70.08 2pn5 n THR 574 CO 0.00 0.00 0.00 0.18 -3.05 0.00 0.00 175.07 172.20 2pn5 n LEU 575 N 0.00 3.22 -0.20 1.09 4.77 -1.22 -4.86 117.00 119.79 2pn5 n LEU 575 Ca -0.01 1.11 0.22 0.00 -0.03 0.00 0.00 56.01 57.30 2pn5 n LEU 575 Cb 0.40 -1.43 0.59 0.00 -2.33 0.00 0.00 43.42 40.65 2pn5 n LEU 575 CO 0.20 -0.97 1.23 0.44 -1.33 0.00 0.00 177.39 176.96 2pn5 h ASP 576 N 1.99 0.26 -0.16 -1.43 3.45 -1.97 -0.16 116.42 118.40 2pn5 h ASP 576 Ca -0.45 0.03 0.00 0.00 0.43 0.00 0.00 57.03 57.03 2pn5 h ASP 576 Cb 1.31 -0.02 0.00 0.00 -0.56 0.00 0.00 39.33 40.06 2pn5 h ASP 576 CO 0.60 0.10 0.00 -0.90 -1.57 0.00 0.00 179.24 177.47 2pn5 n ASP 577 N -4.43 2.49 -4.78 6.45 5.68 -1.26 -4.83 116.55 115.87 2pn5 n ASP 577 Ca 0.18 -1.83 -0.37 0.00 -0.50 0.00 0.00 54.79 52.28 2pn5 n ASP 577 Cb 0.76 -0.10 -0.07 0.00 -1.14 0.00 0.00 41.12 40.58 2pn5 n ASP 577 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 2pn5 s ILE 578 N -1.81 5.25 0.24 2.12 -1.09 -0.07 -4.86 121.20 120.98 2pn5 s ILE 578 Ca 0.34 0.62 0.06 0.00 -2.23 0.00 0.00 60.65 59.44 2pn5 s ILE 578 Cb 0.20 -3.64 -0.03 0.00 -1.58 0.00 0.00 42.46 37.41 2pn5 s ILE 578 CO 0.30 0.47 0.28 -0.76 -1.23 0.00 0.00 174.94 174.00 2pn5 s LEU 579 N -0.14 4.07 -0.08 2.97 1.43 -0.92 -4.75 118.68 121.27 2pn5 s LEU 579 Ca 0.19 -0.08 -0.12 0.00 -1.03 0.00 0.00 54.13 53.08 2pn5 s LEU 579 Cb -0.14 -2.61 -0.05 0.00 0.03 0.00 0.00 46.19 43.42 2pn5 s LEU 579 CO 0.07 -0.05 0.30 -0.36 0.23 0.00 0.00 176.35 176.54 2pn5 s PHE 580 N -2.05 3.62 0.81 0.29 0.40 -1.26 0.12 117.98 119.90 2pn5 s PHE 580 Ca 0.33 0.76 -0.12 0.00 -0.60 0.00 0.00 56.93 57.31 2pn5 s PHE 580 Cb -0.08 -2.21 0.07 0.00 0.51 0.00 0.00 43.02 41.31 2pn5 s PHE 580 CO 0.27 0.55 1.10 0.34 0.70 0.00 0.00 175.22 178.19 2pn5 s ASP 581 N -0.61 4.44 0.29 1.36 2.15 -0.37 -4.85 116.67 119.07 2pn5 s ASP 581 Ca 0.19 1.24 0.01 0.00 0.43 0.00 0.00 52.55 54.43 2pn5 s ASP 581 Cb -0.14 -1.95 0.03 0.00 -0.30 0.00 0.00 42.92 40.55 2pn5 s ASP 581 CO 0.08 -2.00 0.22 -1.54 -0.17 0.00 0.00 175.17 171.76 2pn5 n SER 582 N -3.44 0.44 -0.72 -0.34 3.41 -1.26 -4.97 113.62 106.73 2pn5 n SER 582 Ca 0.07 -1.34 0.07 0.00 -0.26 0.00 0.00 58.87 57.41 2pn5 n SER 582 Cb 0.57 -0.13 0.15 0.00 -0.26 0.00 0.00 64.21 64.54 2pn5 n SER 582 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2pn5 n GLN 609 N -1.38 2.29 -3.00 4.33 -0.00 -1.26 -4.96 117.38 113.40 2pn5 n GLN 609 Ca 0.04 -1.93 -0.30 0.00 -0.00 0.00 0.00 57.00 54.80 2pn5 n GLN 609 Cb 0.15 -1.31 -0.04 0.00 -0.00 0.00 0.00 30.24 29.04 2pn5 n GLN 609 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.06 175.06 2pn5 s GLU 610 N -1.04 3.78 0.16 2.61 2.12 -1.26 -5.05 118.70 120.02 2pn5 s GLU 610 Ca 0.25 0.40 -0.31 0.00 0.36 0.00 0.00 54.97 55.67 2pn5 s GLU 610 Cb 0.14 -2.45 -0.08 0.00 0.26 0.00 0.00 34.13 31.99 2pn5 s GLU 610 CO 0.19 0.05 1.32 -1.54 -0.54 0.00 0.00 175.26 174.74 2pn5 s SER 611 N -3.02 6.90 -0.04 -1.70 1.04 -1.26 -5.03 113.70 110.60 2pn5 s SER 611 Ca 0.50 2.33 0.06 0.00 0.48 0.00 0.00 55.95 59.32 2pn5 s SER 611 Cb -0.10 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.41 2pn5 s SER 611 CO 0.29 -0.56 -0.23 0.86 0.98 0.00 0.00 173.24 174.59 2pn5 s TRP 612 N 0.54 2.13 -1.39 5.02 -0.00 -1.26 -4.70 118.94 119.27 2pn5 s TRP 612 Ca 0.59 -0.53 -0.03 0.00 -0.00 0.00 0.00 56.10 56.13 2pn5 s TRP 612 Cb -0.36 -1.39 0.00 0.00 -0.00 0.00 0.00 33.47 31.72 2pn5 s TRP 612 CO 0.34 -0.13 0.37 1.28 -0.00 0.00 0.00 176.95 178.81 2pn5 n LEU 613 N 2.80 -2.31 -4.45 5.86 4.77 -1.26 -2.88 117.00 119.53 2pn5 n LEU 613 Ca -0.17 -0.18 -0.43 0.00 -0.03 0.00 0.00 56.01 55.20 2pn5 n LEU 613 Cb 0.52 -2.61 0.00 0.00 -2.33 0.00 0.00 43.42 39.00 2pn5 n LEU 613 CO 0.24 0.08 1.83 1.87 -1.33 0.00 0.00 177.39 180.09 2pn5 n TRP 614 N -4.24 4.61 -4.63 -1.77 -0.00 -1.26 -2.73 117.44 107.42 2pn5 n TRP 614 Ca -0.13 -3.03 -0.25 0.00 -0.00 0.00 0.00 57.50 54.09 2pn5 n TRP 614 Cb 0.62 -2.45 -0.14 0.00 -0.00 0.00 0.00 31.31 29.34 2pn5 n TRP 614 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 2pn5 s LYS 615 N 3.05 1.34 -0.00 5.87 -0.14 -1.19 -5.01 119.74 123.66 2pn5 s LYS 615 Ca 0.49 -0.89 0.05 0.00 -1.36 0.00 0.00 55.97 54.26 2pn5 s LYS 615 Cb 0.03 -1.42 -0.03 0.00 -1.68 0.00 0.00 37.83 34.72 2pn5 s LYS 615 CO 0.04 0.36 -0.16 0.54 -0.76 0.00 0.00 175.35 175.37 2pn5 s ASN 616 N -1.10 3.92 0.26 2.83 4.22 -1.26 -0.50 114.94 123.31 2pn5 s ASN 616 Ca 0.07 -0.30 -0.06 0.00 -2.14 0.00 0.00 52.86 50.43 2pn5 s ASN 616 Cb -0.09 -0.74 -0.02 0.00 1.28 0.00 0.00 41.25 41.69 2pn5 s ASN 616 CO 0.01 0.30 0.35 0.54 -2.04 0.00 0.00 177.10 176.26 2pn5 s VAL 617 N -0.83 0.00 0.19 3.54 0.11 0.09 -4.99 120.40 118.52 2pn5 s VAL 617 Ca 0.13 -1.68 0.11 0.00 -2.93 0.00 0.00 61.98 57.61 2pn5 s VAL 617 Cb -0.11 -2.41 -0.04 0.00 -1.53 0.00 0.00 36.38 32.29 2pn5 s VAL 617 CO 0.03 0.00 -0.23 -0.94 -3.33 0.00 0.00 175.10 170.63 2pn5 s SER 618 N -3.13 3.49 0.41 3.54 1.04 -1.26 0.21 113.70 118.00 2pn5 s SER 618 Ca 0.31 -0.85 0.23 0.00 0.48 0.00 0.00 55.95 56.12 2pn5 s SER 618 Cb 0.02 -0.29 0.54 0.00 0.10 0.00 0.00 66.02 66.39 2pn5 s SER 618 CO 0.13 0.12 1.67 0.40 0.98 0.00 0.00 173.24 176.54 2pn5 h ILE 619 N 3.17 0.35 -2.16 -1.02 2.04 -1.51 -3.45 117.51 114.93 2pn5 h ILE 619 Ca -0.46 -1.28 0.26 0.00 1.00 0.00 0.00 64.86 64.38 2pn5 h ILE 619 Cb 1.21 1.99 -0.07 0.00 -0.74 0.00 0.00 36.82 39.22 2pn5 h ILE 619 CO 0.48 0.18 -0.35 0.61 0.00 0.00 0.00 178.15 179.07 2pn5 n GLY 620 N 0.77 -1.69 0.19 5.37 0.00 -0.05 -2.88 105.19 106.91 2pn5 n GLY 620 Ca 0.02 -1.28 -0.05 0.00 0.00 0.00 0.00 46.02 44.71 2pn5 n GLY 620 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2pn5 h ARG 621 N -0.90 -0.02 0.00 1.61 3.08 -1.87 -2.73 114.38 113.56 2pn5 h ARG 621 Ca 0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.07 2pn5 h ARG 621 Cb 0.88 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.94 2pn5 h ARG 621 CO 0.01 -0.01 0.00 -1.13 -1.07 0.00 0.00 179.97 177.76 2pn5 n SER 622 N -4.02 0.00 0.00 7.04 3.41 -1.26 -4.79 113.62 114.00 2pn5 n SER 622 Ca 0.01 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.42 2pn5 n SER 622 Cb 0.12 -0.17 0.00 0.00 -0.26 0.00 0.00 64.21 63.90 2pn5 n SER 622 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2pn5 n GLY 623 N 0.18 0.61 3.45 5.00 0.00 -1.03 -5.02 105.19 108.37 2pn5 n GLY 623 Ca 0.10 -0.63 -0.16 0.00 0.00 0.00 0.00 46.02 45.33 2pn5 n GLY 623 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pn5 s SER 624 N -2.57 -0.54 0.06 1.61 1.04 -1.14 -2.04 113.70 110.12 2pn5 s SER 624 Ca 0.00 0.61 0.04 0.00 0.48 0.00 0.00 55.95 57.08 2pn5 s SER 624 Cb 0.00 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 2pn5 s SER 624 CO 0.00 -0.53 -0.12 -0.13 0.98 0.00 0.00 173.24 173.44 2pn5 s ARG 625 N -1.07 0.75 -0.31 4.02 0.52 0.24 -4.64 118.95 118.46 2pn5 s ARG 625 Ca -0.11 -0.86 0.03 0.00 -0.52 0.00 0.00 55.73 54.27 2pn5 s ARG 625 Cb -0.02 -0.70 0.09 0.00 0.52 0.00 0.00 34.95 34.84 2pn5 s ARG 625 CO 0.08 0.16 0.01 0.15 0.02 0.00 0.00 175.30 175.71 2pn5 s LYS 626 N -1.59 1.56 0.02 3.54 1.02 -1.26 -1.19 119.74 121.84 2pn5 s LYS 626 Ca -0.03 -1.58 -0.18 0.00 0.02 0.00 0.00 55.97 54.19 2pn5 s LYS 626 Cb -0.10 -2.93 -0.06 0.00 -0.52 0.00 0.00 37.83 34.22 2pn5 s LYS 626 CO 0.02 -0.83 0.52 -1.17 -0.92 0.00 0.00 175.35 172.96 2pn5 s LEU 627 N 1.08 4.47 -0.14 3.17 2.96 -0.54 -4.92 118.68 124.76 2pn5 s LEU 627 Ca 0.05 1.12 0.02 0.00 -0.22 0.00 0.00 54.13 55.09 2pn5 s LEU 627 Cb -0.19 -2.79 0.00 0.00 0.50 0.00 0.00 46.19 43.71 2pn5 s LEU 627 CO -0.09 0.23 -0.19 -0.51 -1.32 0.00 0.00 176.35 174.47 2pn5 s ILE 628 N -0.77 2.37 0.05 6.68 2.07 -1.26 0.42 121.20 130.75 2pn5 s ILE 628 Ca 0.27 -0.88 0.02 0.00 -1.41 0.00 0.00 60.65 58.65 2pn5 s ILE 628 Cb -0.18 -1.97 -0.03 0.00 0.13 0.00 0.00 42.46 40.42 2pn5 s ILE 628 CO 0.16 0.54 -0.07 -1.61 -1.91 0.00 0.00 174.94 172.05 2pn5 s GLU 629 N 0.70 0.53 -0.11 3.50 0.41 0.08 -4.98 118.70 118.83 2pn5 s GLU 629 Ca -0.09 -0.81 -0.24 0.00 -0.41 0.00 0.00 54.97 53.43 2pn5 s GLU 629 Cb -0.16 -0.21 -0.03 0.00 -1.78 0.00 0.00 34.13 31.96 2pn5 s GLU 629 CO 0.01 0.02 0.73 0.08 -0.49 0.00 0.00 175.26 175.62 2pn5 s VAL 630 N -1.71 4.99 -0.01 2.63 1.01 -1.26 -0.06 120.40 125.98 2pn5 s VAL 630 Ca -0.08 1.47 -0.30 0.00 0.00 0.00 0.00 61.98 63.07 2pn5 s VAL 630 Cb -0.08 -4.06 -0.03 0.00 0.00 0.00 0.00 36.38 32.21 2pn5 s VAL 630 CO -0.01 0.17 1.04 -0.69 0.00 0.00 0.00 175.10 175.61 2pn5 s VAL 631 N 1.35 4.66 0.62 2.92 1.01 -0.29 -4.95 120.40 125.72 2pn5 s VAL 631 Ca 0.37 1.91 -0.18 0.00 0.00 0.00 0.00 61.98 64.08 2pn5 s VAL 631 Cb -0.17 -4.23 -0.02 0.00 0.00 0.00 0.00 36.38 31.96 2pn5 s VAL 631 CO 0.16 0.11 1.24 -2.16 0.00 0.00 0.00 175.10 174.44 2pn5 s PRO 632 N 1.28 2.76 -1.26 2.72 0.04 -1.26 -0.04 135.00 139.25 2pn5 s PRO 632 Ca 0.53 1.90 -0.17 0.00 0.04 0.00 0.00 61.00 63.30 2pn5 s PRO 632 Cb -0.22 -1.89 0.10 0.00 0.04 0.00 0.00 34.50 32.52 2pn5 s PRO 632 CO 0.26 -1.39 1.63 0.34 0.04 0.00 0.00 177.00 177.88 2pn5 s ASP 633 N -1.57 6.89 0.05 6.66 3.68 -1.26 -3.94 116.67 127.18 2pn5 s ASP 633 Ca 0.79 -2.57 -0.22 0.00 2.13 0.00 0.00 52.55 52.67 2pn5 s ASP 633 Cb -0.33 -2.52 0.05 0.00 -1.45 0.00 0.00 42.92 38.67 2pn5 s ASP 633 CO 0.36 -1.05 0.52 0.28 0.13 0.00 0.00 175.17 175.41 2pn5 s THR 634 N 3.44 0.03 -0.42 1.71 -1.32 -1.26 -5.01 115.64 112.80 2pn5 s THR 634 Ca 0.50 -0.23 -0.11 0.00 -1.21 0.00 0.00 61.69 60.63 2pn5 s THR 634 Cb 0.02 -0.98 0.07 0.00 -1.51 0.00 0.00 72.50 70.10 2pn5 s THR 634 CO 0.05 -0.13 0.28 -0.89 -2.21 0.00 0.00 174.62 171.72 2pn5 s THR 635 N -2.47 4.56 0.22 5.08 2.01 -1.26 -4.31 115.64 119.47 2pn5 s THR 635 Ca -0.05 -1.20 -0.23 0.00 0.31 0.00 0.00 61.69 60.52 2pn5 s THR 635 Cb -0.01 -3.72 0.05 0.00 0.01 0.00 0.00 72.50 68.83 2pn5 s THR 635 CO -0.02 -0.47 0.86 0.28 -0.69 0.00 0.00 174.62 174.58 2pn5 s THR 636 N 1.51 0.00 -0.10 -0.82 -1.32 0.04 -4.99 115.64 109.96 2pn5 s THR 636 Ca 0.03 -0.82 0.02 0.00 -1.21 0.00 0.00 61.69 59.71 2pn5 s THR 636 Cb -0.23 -2.09 -0.01 0.00 -1.51 0.00 0.00 72.50 68.67 2pn5 s THR 636 CO 0.04 0.00 -0.17 -0.94 -2.21 0.00 0.00 174.62 171.35 2pn5 s SER 637 N -2.96 3.74 0.08 8.08 1.04 -1.26 -0.46 113.70 121.95 2pn5 s SER 637 Ca 0.12 -0.37 0.03 0.00 0.48 0.00 0.00 55.95 56.21 2pn5 s SER 637 Cb -0.03 -1.35 -0.04 0.00 0.10 0.00 0.00 66.02 64.69 2pn5 s SER 637 CO 0.05 0.20 0.10 0.26 0.98 0.00 0.00 173.24 174.83 2pn5 s TRP 638 N 0.10 3.24 -0.32 5.02 0.52 0.65 -2.04 118.94 126.12 2pn5 s TRP 638 Ca -0.08 0.10 0.03 0.00 0.02 0.00 0.00 56.10 56.17 2pn5 s TRP 638 Cb -0.15 -1.64 0.09 0.00 -1.15 0.00 0.00 33.47 30.62 2pn5 s TRP 638 CO 0.05 0.53 0.03 -0.47 0.02 0.00 0.00 176.95 177.11 2pn5 s TYR 639 N -1.40 3.23 -0.19 -1.98 5.04 0.47 -3.09 117.35 119.43 2pn5 s TYR 639 Ca 0.30 -2.60 -0.09 0.00 -2.44 0.00 0.00 57.07 52.24 2pn5 s TYR 639 Cb -0.12 -2.48 -0.05 0.00 0.35 0.00 0.00 41.96 39.66 2pn5 s TYR 639 CO 0.23 -0.91 0.13 -1.17 -1.34 0.00 0.00 175.55 172.48 2pn5 s LEU 640 N 1.09 4.21 0.09 6.97 2.96 1.00 -1.33 118.68 133.66 2pn5 s LEU 640 Ca 0.07 0.25 0.06 0.00 -0.22 0.00 0.00 54.13 54.30 2pn5 s LEU 640 Cb -0.19 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.39 2pn5 s LEU 640 CO -0.10 0.21 -0.17 0.42 -1.32 0.00 0.00 176.35 175.39 2pn5 s THR 641 N 0.17 1.38 -0.18 3.68 -4.23 0.22 -0.89 115.64 115.78 2pn5 s THR 641 Ca 0.09 -1.44 -0.13 0.00 -1.18 0.00 0.00 61.69 59.02 2pn5 s THR 641 Cb -0.11 -1.31 0.05 0.00 1.34 0.00 0.00 72.50 72.47 2pn5 s THR 641 CO -0.01 -0.18 0.46 -0.83 -0.54 0.00 0.00 174.62 173.52 2pn5 s GLY 642 N -1.88 -0.36 0.21 3.99 0.00 -1.26 -1.92 107.32 106.10 2pn5 s GLY 642 Ca 0.02 1.51 0.03 0.00 0.00 0.00 0.00 44.72 46.28 2pn5 s GLY 642 CO 0.03 1.49 -0.02 -0.11 0.00 0.00 0.00 173.10 174.49 2pn5 s PHE 643 N 0.89 1.45 0.01 1.90 -0.71 -0.94 -3.44 117.98 117.14 2pn5 s PHE 643 Ca -0.05 -0.92 0.00 0.00 -1.04 0.00 0.00 56.93 54.93 2pn5 s PHE 643 Cb -0.06 -0.82 -0.01 0.00 -1.21 0.00 0.00 43.02 40.92 2pn5 s PHE 643 CO -0.07 -0.06 -0.02 0.45 -1.34 0.00 0.00 175.22 174.18 2pn5 s SER 644 N -3.26 0.25 -0.11 1.98 0.15 0.24 -1.81 113.70 111.15 2pn5 s SER 644 Ca 0.26 -0.23 -0.00 0.00 0.70 0.00 0.00 55.95 56.67 2pn5 s SER 644 Cb 0.05 0.03 0.02 0.00 -1.71 0.00 0.00 66.02 64.41 2pn5 s SER 644 CO 0.07 -0.11 -0.08 -0.63 1.20 0.00 0.00 173.24 173.69 2pn5 s ILE 645 N -0.64 1.01 -0.16 6.45 1.01 -0.54 0.13 121.20 128.46 2pn5 s ILE 645 Ca -0.06 -0.28 -0.07 0.00 0.00 0.00 0.00 60.65 60.24 2pn5 s ILE 645 Cb -0.05 -1.02 -0.04 0.00 0.01 0.00 0.00 42.46 41.36 2pn5 s ILE 645 CO -0.00 0.36 0.08 -0.62 0.00 0.00 0.00 174.94 174.76 2pn5 s ASP 646 N 1.67 5.80 0.64 3.58 2.15 0.30 -0.95 116.67 129.86 2pn5 s ASP 646 Ca 0.04 0.18 0.26 0.00 0.43 0.00 0.00 52.55 53.46 2pn5 s ASP 646 Cb -0.13 -1.94 1.34 0.00 -0.30 0.00 0.00 42.92 41.90 2pn5 s ASP 646 CO -0.08 0.25 1.76 -0.65 -0.17 0.00 0.00 175.17 176.28 2pn5 h PRO 647 N 6.16 0.00 0.00 4.34 0.11 -1.90 0.19 132.00 140.90 2pn5 h PRO 647 Ca -0.43 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.57 2pn5 h PRO 647 Cb 1.18 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.27 2pn5 h PRO 647 CO 0.67 0.00 -1.18 0.28 -0.21 0.00 0.00 178.00 177.56 2pn5 n VAL 648 N -3.13 0.75 0.71 3.15 0.31 -1.26 -4.64 118.33 114.22 2pn5 n VAL 648 Ca 0.03 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.49 2pn5 n VAL 648 Cb 0.62 -1.69 0.34 0.00 -0.91 0.00 0.00 33.84 32.20 2pn5 n VAL 648 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 2pn5 n TYR 649 N -3.54 0.55 -3.68 3.52 4.02 -1.18 -4.99 117.16 111.87 2pn5 n TYR 649 Ca -0.14 0.16 0.00 0.00 -0.01 0.00 0.00 57.90 57.91 2pn5 n TYR 649 Cb 0.50 -0.70 0.00 0.00 -0.02 0.00 0.00 39.34 39.12 2pn5 n TYR 649 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2pn5 n GLY 650 N 1.37 -0.09 3.70 2.72 0.00 0.66 -3.91 105.19 109.64 2pn5 n GLY 650 Ca 0.05 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.54 2pn5 n GLY 650 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2pn5 s LEU 651 N 0.00 4.30 -0.02 0.99 2.96 0.52 -0.54 118.68 126.90 2pn5 s LEU 651 Ca 0.00 1.64 0.04 0.00 -0.22 0.00 0.00 54.13 55.59 2pn5 s LEU 651 Cb 0.00 -3.56 -0.01 0.00 0.50 0.00 0.00 46.19 43.12 2pn5 s LEU 651 CO 0.00 -0.39 -0.14 -0.83 -1.32 0.00 0.00 176.35 173.66 2pn5 s GLY 652 N 1.10 0.72 0.06 7.98 0.00 0.35 -4.57 107.32 112.96 2pn5 s GLY 652 Ca 0.51 -0.60 0.02 0.00 0.00 0.00 0.00 44.72 44.65 2pn5 s GLY 652 CO 0.23 -0.45 -0.07 -0.42 0.00 0.00 0.00 173.10 172.38 2pn5 s ILE 653 N -0.23 0.57 0.23 0.90 1.01 -1.26 0.82 121.20 123.24 2pn5 s ILE 653 Ca 0.03 -1.39 -0.17 0.00 0.00 0.00 0.00 60.65 59.12 2pn5 s ILE 653 Cb -0.07 -1.00 -0.08 0.00 0.01 0.00 0.00 42.46 41.32 2pn5 s ILE 653 CO -0.00 -0.57 0.69 0.27 0.00 0.00 0.00 174.94 175.33 2pn5 s ILE 654 N -2.23 4.65 0.00 2.92 -4.36 -1.22 -4.74 121.20 116.23 2pn5 s ILE 654 Ca -0.02 1.10 0.00 0.00 -0.26 0.00 0.00 60.65 61.47 2pn5 s ILE 654 Cb -0.04 -3.77 0.00 0.00 1.25 0.00 0.00 42.46 39.89 2pn5 s ILE 654 CO -0.02 0.11 0.87 1.17 0.24 0.00 0.00 174.94 177.32 2pn5 n LYS 655 N 0.46 0.00 -4.37 0.37 3.00 -1.26 -4.73 118.16 111.63 2pn5 n LYS 655 Ca -0.01 0.66 -0.23 0.00 -0.00 0.00 0.00 58.31 58.72 2pn5 n LYS 655 Cb 0.52 -1.37 -0.11 0.00 0.00 0.00 0.00 35.03 34.07 2pn5 n LYS 655 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.40 175.81 2pn5 s LYS 656 N -2.47 1.37 0.56 1.64 -2.85 -1.26 -5.13 119.74 111.60 2pn5 s LYS 656 Ca 0.00 -1.48 -0.21 0.00 -1.00 0.00 0.00 55.97 53.28 2pn5 s LYS 656 Cb 0.00 -1.48 -0.05 0.00 -2.06 0.00 0.00 37.83 34.24 2pn5 s LYS 656 CO 0.00 0.30 1.29 -2.30 0.10 0.00 0.00 175.35 174.74 2pn5 n PRO 657 N 0.15 1.53 -2.83 1.78 -0.02 -1.26 -4.98 135.00 129.37 2pn5 n PRO 657 Ca -0.12 0.57 -0.41 0.00 -2.02 0.00 0.00 63.50 61.52 2pn5 n PRO 657 Cb 0.57 -2.50 -0.04 0.00 -0.02 0.00 0.00 33.50 31.51 2pn5 n PRO 657 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2pn5 s ILE 658 N -1.32 4.91 -0.02 4.25 1.01 -0.07 -4.86 121.20 125.09 2pn5 s ILE 658 Ca 0.73 1.85 0.06 0.00 0.00 0.00 0.00 60.65 63.29 2pn5 s ILE 658 Cb -0.42 -4.22 -0.01 0.00 0.01 0.00 0.00 42.46 37.81 2pn5 s ILE 658 CO 0.48 0.20 -0.20 -1.10 0.00 0.00 0.00 174.94 174.33 2pn5 s GLN 659 N 0.86 1.68 0.14 2.79 -0.21 -1.26 -0.00 119.66 123.66 2pn5 s GLN 659 Ca 0.47 -0.71 -0.24 0.00 0.02 0.00 0.00 55.36 54.90 2pn5 s GLN 659 Cb -0.20 -1.59 0.07 0.00 1.00 0.00 0.00 33.01 32.29 2pn5 s GLN 659 CO 0.25 0.40 0.66 -0.59 -2.12 0.00 0.00 175.29 173.89 2pn5 s PHE 660 N -0.39 -0.48 0.11 0.91 -0.71 -1.18 -5.02 117.98 111.23 2pn5 s PHE 660 Ca 0.06 0.27 0.09 0.00 -1.04 0.00 0.00 56.93 56.30 2pn5 s PHE 660 Cb -0.08 0.56 -0.04 0.00 -1.21 0.00 0.00 43.02 42.25 2pn5 s PHE 660 CO -0.00 -0.81 -0.18 0.95 -1.34 0.00 0.00 175.22 173.84 2pn5 s THR 661 N -3.63 2.87 -0.15 -4.49 -4.23 -1.26 -0.25 115.64 104.49 2pn5 s THR 661 Ca 0.02 -1.45 0.01 0.00 -1.18 0.00 0.00 61.69 59.09 2pn5 s THR 661 Cb -0.01 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.52 2pn5 s THR 661 CO -0.11 0.13 -0.17 0.42 -0.54 0.00 0.00 174.62 174.35 2pn5 s THR 662 N -1.12 2.54 -0.21 3.99 -4.23 0.39 -4.60 115.64 112.39 2pn5 s THR 662 Ca 0.18 -0.82 0.01 0.00 -1.18 0.00 0.00 61.69 59.88 2pn5 s THR 662 Cb -0.11 -2.06 0.05 0.00 1.34 0.00 0.00 72.50 71.73 2pn5 s THR 662 CO 0.10 0.52 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.94 2pn5 s VAL 663 N 0.78 1.48 0.10 2.29 1.01 -1.26 -0.78 120.40 124.03 2pn5 s VAL 663 Ca -0.06 -1.05 -0.31 0.00 0.00 0.00 0.00 61.98 60.56 2pn5 s VAL 663 Cb -0.15 -1.68 -0.09 0.00 0.00 0.00 0.00 36.38 34.46 2pn5 s VAL 663 CO 0.00 0.02 1.61 -1.10 0.00 0.00 0.00 175.10 175.63 2pn5 s GLN 664 N 1.44 4.21 0.28 2.72 -0.21 -1.26 -4.74 119.66 122.10 2pn5 s GLN 664 Ca -0.03 2.32 -0.03 0.00 0.02 0.00 0.00 55.36 57.64 2pn5 s GLN 664 Cb -0.17 -3.45 0.39 0.00 1.00 0.00 0.00 33.01 30.78 2pn5 s GLN 664 CO -0.07 -0.68 1.93 -1.35 -2.12 0.00 0.00 175.29 173.00 2pn5 h PRO 665 N 7.78 1.11 -1.99 2.91 0.11 -1.95 -3.39 132.00 136.58 2pn5 h PRO 665 Ca -0.42 -0.09 0.02 0.00 0.11 0.00 0.00 66.00 65.62 2pn5 h PRO 665 Cb 1.20 -0.24 -0.21 0.00 0.11 0.00 0.00 31.00 31.87 2pn5 h PRO 665 CO 0.92 0.77 0.02 0.12 -0.21 0.00 0.00 178.00 179.62 2pn5 s PHE 666 N -5.85 -1.08 0.14 0.65 5.36 -1.26 0.71 117.98 116.66 2pn5 s PHE 666 Ca -0.12 2.14 -0.11 0.00 -0.96 0.00 0.00 56.93 57.88 2pn5 s PHE 666 Cb 0.17 0.64 0.01 0.00 -0.34 0.00 0.00 43.02 43.50 2pn5 s PHE 666 CO 0.80 -0.53 0.31 1.52 -1.46 0.00 0.00 175.22 175.86 2pn5 s TYR 667 N 1.68 0.15 -0.03 10.12 1.13 -0.72 -4.54 117.35 125.14 2pn5 s TYR 667 Ca -0.10 -0.52 0.05 0.00 -1.41 0.00 0.00 57.07 55.10 2pn5 s TYR 667 Cb -0.05 0.07 -0.01 0.00 -1.10 0.00 0.00 41.96 40.86 2pn5 s TYR 667 CO -0.20 -0.70 -0.19 -1.50 -2.51 0.00 0.00 175.55 170.46 2pn5 s ILE 668 N -3.90 1.53 -0.10 -3.49 2.07 -1.26 -0.93 121.20 115.13 2pn5 s ILE 668 Ca 0.10 -0.79 0.04 0.00 -1.41 0.00 0.00 60.65 58.58 2pn5 s ILE 668 Cb 0.03 -1.29 -0.00 0.00 0.13 0.00 0.00 42.46 41.32 2pn5 s ILE 668 CO -0.06 0.43 -0.23 -0.69 -1.91 0.00 0.00 174.94 172.49 2pn5 s VAL 669 N -0.19 2.19 0.49 4.00 1.01 0.18 -4.95 120.40 123.12 2pn5 s VAL 669 Ca 0.01 -0.98 -0.07 0.00 0.00 0.00 0.00 61.98 60.94 2pn5 s VAL 669 Cb -0.10 -1.84 -0.04 0.00 0.00 0.00 0.00 36.38 34.40 2pn5 s VAL 669 CO 0.01 0.56 0.82 -1.83 0.00 0.00 0.00 175.10 174.66 2pn5 s GLU 670 N 0.24 3.59 -0.38 2.72 1.03 -1.26 -1.15 118.70 123.49 2pn5 s GLU 670 Ca -0.15 0.34 0.04 0.00 0.03 0.00 0.00 54.97 55.22 2pn5 s GLU 670 Cb -0.17 -2.33 0.16 0.00 -0.80 0.00 0.00 34.13 30.99 2pn5 s GLU 670 CO 0.08 -0.24 0.40 1.21 -1.33 0.00 0.00 175.26 175.38 2pn5 s ASN 671 N -3.96 0.92 0.17 0.83 2.47 -0.98 -4.94 114.94 109.44 2pn5 s ASN 671 Ca 0.49 -1.64 0.10 0.00 0.42 0.00 0.00 52.86 52.24 2pn5 s ASN 671 Cb -0.10 0.64 -0.04 0.00 -1.45 0.00 0.00 41.25 40.30 2pn5 s ASN 671 CO 0.44 -0.24 -0.19 -0.76 -3.72 0.00 0.00 177.10 172.64 2pn5 s LEU 672 N 1.34 2.64 0.52 3.21 1.43 -1.26 -3.85 118.68 122.71 2pn5 s LEU 672 Ca 0.18 -0.71 -0.19 0.00 -1.03 0.00 0.00 54.13 52.38 2pn5 s LEU 672 Cb -0.13 -1.40 -0.07 0.00 0.03 0.00 0.00 46.19 44.62 2pn5 s LEU 672 CO -0.03 0.13 1.06 -2.16 0.23 0.00 0.00 176.35 175.58 2pn5 s PRO 673 N -2.57 3.61 0.19 1.29 0.04 -1.26 -4.97 135.00 131.33 2pn5 s PRO 673 Ca 0.21 1.40 -0.11 0.00 0.04 0.00 0.00 61.00 62.54 2pn5 s PRO 673 Cb -0.09 -2.06 0.10 0.00 0.04 0.00 0.00 34.50 32.49 2pn5 s PRO 673 CO 0.11 -0.60 1.75 -0.92 0.04 0.00 0.00 177.00 177.39 2pn5 h TYR 674 N 1.30 1.00 -3.85 0.56 3.20 -1.87 -3.44 116.97 113.87 2pn5 h TYR 674 Ca -0.49 -0.07 -0.11 0.00 3.14 0.00 0.00 58.73 61.20 2pn5 h TYR 674 Cb 1.23 -0.30 -0.16 0.00 1.54 0.00 0.00 36.73 39.04 2pn5 h TYR 674 CO 0.56 0.77 -0.47 -1.54 -1.64 0.00 0.00 178.16 175.84 2pn5 s SER 675 N -6.15 0.19 0.28 -2.11 1.04 -1.26 -1.21 113.70 104.47 2pn5 s SER 675 Ca -0.13 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 55.67 2pn5 s SER 675 Cb 0.14 0.28 -0.03 0.00 0.10 0.00 0.00 66.02 66.51 2pn5 s SER 675 CO 0.81 -0.63 0.27 0.27 0.98 0.00 0.00 173.24 174.94 2pn5 s ILE 676 N -3.38 0.00 0.12 -1.02 -4.36 -0.43 -4.44 121.20 107.69 2pn5 s ILE 676 Ca 0.01 -1.89 0.10 0.00 -0.26 0.00 0.00 60.65 58.62 2pn5 s ILE 676 Cb 0.03 -2.50 -0.04 0.00 1.25 0.00 0.00 42.46 41.20 2pn5 s ILE 676 CO -0.08 0.00 -0.26 -0.54 0.24 0.00 0.00 174.94 174.30 2pn5 s LYS 677 N -3.67 1.42 0.21 0.37 1.02 -1.26 -0.86 119.74 116.96 2pn5 s LYS 677 Ca 0.37 -1.30 -0.31 0.00 0.02 0.00 0.00 55.97 54.75 2pn5 s LYS 677 Cb 0.03 -1.85 -0.15 0.00 -0.52 0.00 0.00 37.83 35.34 2pn5 s LYS 677 CO 0.20 0.44 1.06 0.54 -0.92 0.00 0.00 175.35 176.67 2pn5 n ARG 678 N 1.03 1.13 0.00 1.68 1.74 -1.25 -1.96 116.66 119.04 2pn5 n ARG 678 Ca -0.18 0.40 0.00 0.00 -0.77 0.00 0.00 57.85 57.30 2pn5 n ARG 678 Cb 0.53 -1.81 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 2pn5 n ARG 678 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2pn5 n GLY 679 N 1.72 2.96 3.74 -0.13 0.00 -1.24 -4.98 105.19 107.27 2pn5 n GLY 679 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.75 2pn5 n GLY 679 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pn5 s GLU 680 N -0.55 4.66 -0.35 1.61 2.02 -0.83 -4.89 118.70 120.36 2pn5 s GLU 680 Ca 0.00 1.67 -0.19 0.00 0.02 0.00 0.00 54.97 56.47 2pn5 s GLU 680 Cb 0.00 -3.27 0.00 0.00 0.10 0.00 0.00 34.13 30.96 2pn5 s GLU 680 CO 0.00 0.19 0.59 0.00 0.02 0.00 0.00 175.26 176.06 2pn5 s ALA 681 N -0.56 3.47 0.00 5.21 0.00 -0.55 -4.27 121.76 125.06 2pn5 s ALA 681 Ca 0.47 -0.91 0.08 0.00 0.00 0.00 0.00 51.96 51.59 2pn5 s ALA 681 Cb -0.29 -3.11 -0.03 0.00 0.00 0.00 0.00 23.12 19.69 2pn5 s ALA 681 CO 0.35 -1.29 -0.23 0.08 0.00 0.00 0.00 175.76 174.67 2pn5 s VAL 682 N 2.58 2.33 -0.30 0.00 1.01 0.38 -0.37 120.40 126.03 2pn5 s VAL 682 Ca 0.22 -1.15 -0.12 0.00 0.00 0.00 0.00 61.98 60.93 2pn5 s VAL 682 Cb -0.15 -1.88 -0.04 0.00 0.00 0.00 0.00 36.38 34.32 2pn5 s VAL 682 CO 0.14 0.48 0.23 -0.69 0.00 0.00 0.00 175.10 175.27 2pn5 s VAL 683 N -0.73 5.28 -0.40 2.92 1.01 -0.66 0.05 120.40 127.87 2pn5 s VAL 683 Ca 0.11 0.08 -0.18 0.00 0.00 0.00 0.00 61.98 61.99 2pn5 s VAL 683 Cb -0.10 -3.62 0.01 0.00 0.00 0.00 0.00 36.38 32.67 2pn5 s VAL 683 CO 0.01 0.14 0.50 -0.76 0.00 0.00 0.00 175.10 174.99 2pn5 s LEU 684 N 1.79 4.59 0.08 3.92 1.43 0.57 -4.59 118.68 126.47 2pn5 s LEU 684 Ca 0.08 -0.36 -0.11 0.00 -1.03 0.00 0.00 54.13 52.70 2pn5 s LEU 684 Cb -0.16 -2.52 -0.06 0.00 0.03 0.00 0.00 46.19 43.48 2pn5 s LEU 684 CO 0.11 -0.57 0.43 -1.10 0.23 0.00 0.00 176.35 175.44 2pn5 s GLN 685 N 2.35 3.82 0.15 1.70 -0.21 -1.25 -1.51 119.66 124.71 2pn5 s GLN 685 Ca 0.16 0.26 -0.02 0.00 0.02 0.00 0.00 55.36 55.79 2pn5 s GLN 685 Cb -0.16 -3.02 -0.04 0.00 1.00 0.00 0.00 33.01 30.80 2pn5 s GLN 685 CO 0.15 0.56 0.09 -0.06 -2.12 0.00 0.00 175.29 173.91 2pn5 s PHE 686 N -1.37 0.88 -0.01 0.91 0.40 0.63 -2.32 117.98 117.10 2pn5 s PHE 686 Ca 0.33 -1.23 0.01 0.00 -0.60 0.00 0.00 56.93 55.44 2pn5 s PHE 686 Cb -0.14 -0.46 0.00 0.00 0.51 0.00 0.00 43.02 42.93 2pn5 s PHE 686 CO 0.18 -0.56 -0.04 0.99 0.70 0.00 0.00 175.22 176.49 2pn5 s THR 687 N -4.07 0.34 0.03 0.64 2.01 -0.30 -1.36 115.64 112.93 2pn5 s THR 687 Ca 0.27 -0.13 0.02 0.00 0.31 0.00 0.00 61.69 62.15 2pn5 s THR 687 Cb 0.07 -0.32 -0.04 0.00 0.01 0.00 0.00 72.50 72.22 2pn5 s THR 687 CO 0.04 0.12 0.04 -0.76 -0.69 0.00 0.00 174.62 173.36 2pn5 s LEU 688 N 0.20 3.65 -0.05 4.42 1.43 0.36 -0.65 118.68 128.05 2pn5 s LEU 688 Ca -0.02 0.00 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 2pn5 s LEU 688 Cb -0.05 -2.20 0.02 0.00 0.03 0.00 0.00 46.19 43.99 2pn5 s LEU 688 CO -0.00 0.24 -0.05 -0.36 0.23 0.00 0.00 176.35 176.41 2pn5 s PHE 689 N -1.21 0.77 -0.20 0.29 0.40 -0.10 -2.22 117.98 115.71 2pn5 s PHE 689 Ca 0.23 -0.22 0.02 0.00 -0.60 0.00 0.00 56.93 56.36 2pn5 s PHE 689 Cb -0.12 -0.68 0.04 0.00 0.51 0.00 0.00 43.02 42.77 2pn5 s PHE 689 CO 0.15 -0.20 -0.16 1.21 0.70 0.00 0.00 175.22 176.92 2pn5 s ASN 690 N 0.92 3.53 0.00 1.36 2.47 -1.26 -1.76 114.94 120.20 2pn5 s ASN 690 Ca -0.11 -0.90 0.19 0.00 0.42 0.00 0.00 52.86 52.46 2pn5 s ASN 690 Cb -0.14 -1.44 0.29 0.00 -1.45 0.00 0.00 41.25 38.50 2pn5 s ASN 690 CO 0.00 -0.08 1.23 0.59 -3.72 0.00 0.00 177.10 175.12 2pn5 n ASN 691 N 4.58 2.97 -3.39 -4.21 3.02 0.22 -0.45 115.26 118.01 2pn5 n ASN 691 Ca -0.18 -1.87 -0.24 0.00 -0.03 0.00 0.00 54.58 52.26 2pn5 n ASN 691 Cb 0.47 -0.15 0.19 0.00 -0.61 0.00 0.00 39.78 39.69 2pn5 n ASN 691 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2pn5 n LEU 692 N 1.14 0.00 -0.54 3.41 4.77 -1.24 -4.93 117.00 119.61 2pn5 n LEU 692 Ca 0.14 -0.98 0.09 0.00 -0.03 0.00 0.00 56.01 55.23 2pn5 n LEU 692 Cb 0.51 -0.81 0.33 0.00 -2.33 0.00 0.00 43.42 41.11 2pn5 n LEU 692 CO 0.13 -1.80 0.74 0.61 -1.33 0.00 0.00 177.39 175.73 2pn5 n GLY 693 N -3.09 0.29 3.31 -0.72 0.00 -1.26 -4.70 105.19 99.02 2pn5 n GLY 693 Ca 0.12 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.65 2pn5 n GLY 693 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pn5 s ALA 694 N -1.74 -0.89 0.05 4.61 0.00 -1.26 -4.97 121.76 117.55 2pn5 s ALA 694 Ca 0.29 0.03 -0.30 0.00 0.00 0.00 0.00 51.96 51.98 2pn5 s ALA 694 Cb 0.16 0.55 -0.05 0.00 0.00 0.00 0.00 23.12 23.77 2pn5 s ALA 694 CO 0.23 -0.56 1.22 -2.00 0.00 0.00 0.00 175.76 174.65 2pn5 s GLU 695 N -3.32 4.41 -0.01 0.00 2.12 -1.26 -4.42 118.70 116.22 2pn5 s GLU 695 Ca 0.00 1.78 0.04 0.00 0.36 0.00 0.00 54.97 57.15 2pn5 s GLU 695 Cb 0.01 -3.38 -0.01 0.00 0.26 0.00 0.00 34.13 31.01 2pn5 s GLU 695 CO -0.08 -0.31 -0.12 0.71 -0.54 0.00 0.00 175.26 174.91 2pn5 s TYR 696 N 1.29 1.10 -0.02 5.30 1.51 -0.91 -4.93 117.35 120.69 2pn5 s TYR 696 Ca 0.59 -0.22 -0.30 0.00 -1.01 0.00 0.00 57.07 56.13 2pn5 s TYR 696 Cb -0.29 -0.70 -0.05 0.00 -0.11 0.00 0.00 41.96 40.80 2pn5 s TYR 696 CO 0.28 -0.02 1.43 0.42 -1.11 0.00 0.00 175.55 176.55 2pn5 s ILE 697 N -0.33 3.72 0.02 2.71 1.01 -1.26 -0.85 121.20 126.22 2pn5 s ILE 697 Ca 0.04 1.07 -0.06 0.00 0.00 0.00 0.00 60.65 61.71 2pn5 s ILE 697 Cb -0.05 -3.69 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 2pn5 s ILE 697 CO -0.00 -0.02 0.27 0.00 0.00 0.00 0.00 174.94 175.18 2pn5 s ALA 698 N 2.67 3.86 -0.20 9.38 0.00 0.78 -4.42 121.76 133.84 2pn5 s ALA 698 Ca 0.64 -0.61 -0.01 0.00 0.00 0.00 0.00 51.96 51.99 2pn5 s ALA 698 Cb -0.31 -2.04 0.01 0.00 0.00 0.00 0.00 23.12 20.78 2pn5 s ALA 698 CO 0.26 0.67 -0.14 -0.51 0.00 0.00 0.00 175.76 176.05 2pn5 s ASP 699 N -1.83 3.66 -0.16 0.00 1.01 0.72 -1.84 116.67 118.23 2pn5 s ASP 699 Ca 0.29 -0.64 -0.01 0.00 0.71 0.00 0.00 52.55 52.90 2pn5 s ASP 699 Cb -0.13 -1.58 -0.01 0.00 1.01 0.00 0.00 42.92 42.21 2pn5 s ASP 699 CO 0.18 -0.03 -0.11 -0.69 0.21 0.00 0.00 175.17 174.73 2pn5 s VAL 700 N 1.34 3.10 -0.14 -1.27 1.01 -0.06 -2.08 120.40 122.29 2pn5 s VAL 700 Ca 0.04 -0.63 0.02 0.00 0.00 0.00 0.00 61.98 61.41 2pn5 s VAL 700 Cb -0.14 -2.33 0.01 0.00 0.00 0.00 0.00 36.38 33.91 2pn5 s VAL 700 CO -0.09 0.50 -0.20 -0.89 0.00 0.00 0.00 175.10 174.42 2pn5 s THR 701 N 0.71 2.29 -0.17 3.92 2.01 0.70 -1.49 115.64 123.61 2pn5 s THR 701 Ca -0.05 -0.90 -0.05 0.00 0.31 0.00 0.00 61.69 60.99 2pn5 s THR 701 Cb -0.15 -1.93 -0.03 0.00 0.01 0.00 0.00 72.50 70.39 2pn5 s THR 701 CO 0.02 0.54 0.00 -0.22 -0.69 0.00 0.00 174.62 174.27 2pn5 s LEU 702 N 0.79 3.45 0.07 4.42 2.96 -0.44 -1.33 118.68 128.59 2pn5 s LEU 702 Ca -0.07 -0.06 -0.03 0.00 -0.22 0.00 0.00 54.13 53.74 2pn5 s LEU 702 Cb -0.16 -1.85 -0.05 0.00 0.50 0.00 0.00 46.19 44.64 2pn5 s LEU 702 CO -0.01 0.16 0.28 -0.31 -1.32 0.00 0.00 176.35 175.15 2pn5 s TYR 703 N 0.43 3.52 -0.81 5.38 1.51 -0.28 -1.71 117.35 125.39 2pn5 s TYR 703 Ca -0.01 0.44 -0.16 0.00 -1.01 0.00 0.00 57.07 56.33 2pn5 s TYR 703 Cb -0.14 -1.90 0.18 0.00 -0.11 0.00 0.00 41.96 39.99 2pn5 s TYR 703 CO 0.02 0.55 0.84 1.21 -1.11 0.00 0.00 175.55 177.06 2pn5 s ASN 704 N -2.24 6.63 -0.16 2.29 2.47 0.26 -4.60 114.94 119.58 2pn5 s ASN 704 Ca 0.35 -2.31 -0.28 0.00 0.42 0.00 0.00 52.86 51.03 2pn5 s ASN 704 Cb -0.13 -2.27 -0.01 0.00 -1.45 0.00 0.00 41.25 37.39 2pn5 s ASN 704 CO 0.23 -0.79 0.96 -0.69 -3.72 0.00 0.00 177.10 173.10 2pn5 s VAL 705 N 1.23 4.78 -1.51 -5.21 1.01 -1.26 -4.17 120.40 115.27 2pn5 s VAL 705 Ca 0.20 1.91 -0.01 0.00 0.00 0.00 0.00 61.98 64.08 2pn5 s VAL 705 Cb -0.11 -4.26 0.00 0.00 0.00 0.00 0.00 36.38 32.01 2pn5 s VAL 705 CO -0.07 -0.04 0.09 0.00 0.00 0.00 0.00 175.10 175.08 2pn5 n ALA 706 N 5.47 -2.03 -2.20 5.51 0.00 -1.26 -1.40 120.51 124.59 2pn5 n ALA 706 Ca 0.08 -0.40 -0.20 0.00 0.00 0.00 0.00 53.44 52.92 2pn5 n ALA 706 Cb 0.48 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.92 2pn5 n ALA 706 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2pn5 n ASN 707 N -2.88 -5.75 0.04 0.00 2.85 -1.26 -4.90 115.26 103.37 2pn5 n ASN 707 Ca -0.32 0.10 -0.09 0.00 -0.11 0.00 0.00 54.58 54.16 2pn5 n ASN 707 Cb 0.69 -4.83 -0.13 0.00 1.24 0.00 0.00 39.78 36.76 2pn5 n ASN 707 CO 0.00 0.00 0.00 1.56 -2.11 0.00 0.00 177.26 176.71 2pn5 h GLN 708 N 0.00 0.05 -5.04 1.20 4.20 -1.52 -3.43 115.11 110.57 2pn5 h GLN 708 Ca -0.47 -0.09 -0.66 0.00 0.06 0.00 0.00 58.65 57.49 2pn5 h GLN 708 Cb 1.35 0.03 -0.30 0.00 0.30 0.00 0.00 27.48 28.87 2pn5 h GLN 708 CO 0.58 0.88 -0.77 0.99 -0.67 0.00 0.00 178.83 179.84 2pn5 s THR 709 N -2.66 2.89 -0.12 -0.54 2.01 -1.26 -1.22 115.64 114.74 2pn5 s THR 709 Ca -0.02 -0.66 -0.18 0.00 0.31 0.00 0.00 61.69 61.14 2pn5 s THR 709 Cb 0.09 -2.28 -0.04 0.00 0.01 0.00 0.00 72.50 70.27 2pn5 s THR 709 CO 0.83 0.47 0.46 -0.70 -0.69 0.00 0.00 174.62 174.99 2pn5 s GLU 710 N 1.34 4.32 -0.41 4.92 2.12 -0.49 -4.83 118.70 125.67 2pn5 s GLU 710 Ca 0.04 0.42 -0.21 0.00 0.36 0.00 0.00 54.97 55.59 2pn5 s GLU 710 Cb -0.14 -3.43 0.02 0.00 0.26 0.00 0.00 34.13 30.84 2pn5 s GLU 710 CO -0.06 0.18 0.65 -0.06 -0.54 0.00 0.00 175.26 175.44 2pn5 s PHE 711 N 0.56 3.09 -0.15 5.30 0.40 -1.26 -0.98 117.98 124.93 2pn5 s PHE 711 Ca 0.25 0.11 -0.37 0.00 -0.60 0.00 0.00 56.93 56.32 2pn5 s PHE 711 Cb -0.15 -3.31 -0.14 0.00 0.51 0.00 0.00 43.02 39.94 2pn5 s PHE 711 CO 0.10 -0.79 1.77 0.28 0.70 0.00 0.00 175.22 177.28 2pn5 n VAL 712 N 5.79 0.39 -0.01 -0.44 0.31 -0.79 -1.63 118.33 121.95 2pn5 n VAL 712 Ca -0.01 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2pn5 n VAL 712 Cb 0.48 -1.49 0.00 0.00 -0.91 0.00 0.00 33.84 31.92 2pn5 n VAL 712 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2pn5 n GLY 713 N 4.15 0.68 3.00 2.92 0.00 -1.26 -4.85 105.19 109.83 2pn5 n GLY 713 Ca 0.24 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.17 2pn5 n GLY 713 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2pn5 s ARG 714 N -0.99 0.35 0.53 1.61 1.70 -0.64 -5.03 118.95 116.47 2pn5 s ARG 714 Ca 0.00 -0.59 -0.19 0.00 -0.47 0.00 0.00 55.73 54.48 2pn5 s ARG 714 Cb 0.00 0.13 -0.10 0.00 -0.57 0.00 0.00 34.95 34.41 2pn5 s ARG 714 CO 0.00 -0.06 0.46 -0.35 -1.08 0.00 0.00 175.30 174.27 2pn5 n PRO 715 N 1.53 0.48 0.22 3.89 -0.04 -1.26 -4.48 135.00 135.34 2pn5 n PRO 715 Ca -0.24 0.19 0.15 0.00 -0.04 0.00 0.00 63.50 63.56 2pn5 n PRO 715 Cb 0.55 -1.59 0.75 0.00 -0.04 0.00 0.00 33.50 33.17 2pn5 n PRO 715 CO 0.00 0.00 0.00 -0.91 -0.04 0.00 0.00 175.50 174.55 2pn5 h ASN 716 N 0.36 0.00 1.09 3.54 4.21 -1.95 -2.75 115.58 120.08 2pn5 h ASN 716 Ca -0.44 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 56.96 2pn5 h ASN 716 Cb 1.40 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.59 2pn5 h ASN 716 CO 0.48 0.00 -0.50 0.71 -1.29 0.00 0.00 177.43 176.82 2pn5 h THR 717 N 0.00 0.99 -3.09 2.81 1.35 -1.96 -3.46 112.91 109.56 2pn5 h THR 717 Ca 0.00 -2.03 -0.56 0.00 -0.55 0.00 0.00 66.41 63.28 2pn5 h THR 717 Cb 0.17 2.23 0.09 0.00 -1.73 0.00 0.00 68.15 68.91 2pn5 h THR 717 CO 0.00 0.49 0.72 0.47 -0.25 0.00 0.00 175.52 176.95 2pn5 n ASP 718 N -3.41 3.28 -0.00 5.36 9.92 -1.04 -4.92 116.55 125.74 2pn5 n ASP 718 Ca 0.01 1.16 0.10 0.00 -0.53 0.00 0.00 54.79 55.53 2pn5 n ASP 718 Cb 0.65 -1.52 -0.14 0.00 -0.64 0.00 0.00 41.12 39.47 2pn5 n ASP 718 CO 0.00 0.00 0.00 0.18 0.13 0.00 0.00 177.20 177.51 2pn5 n LEU 719 N 1.87 0.56 -3.81 0.64 4.77 -1.26 -4.77 117.00 114.99 2pn5 n LEU 719 Ca 0.09 -0.28 -0.09 0.00 -0.03 0.00 0.00 56.01 55.70 2pn5 n LEU 719 Cb 0.35 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.40 2pn5 n LEU 719 CO 0.63 0.14 0.33 -0.94 -1.33 0.00 0.00 177.39 176.22 2pn5 s SER 720 N -3.65 -0.25 -0.08 -1.43 1.04 -1.26 0.90 113.70 108.97 2pn5 s SER 720 Ca 0.01 -0.58 -0.04 0.00 0.48 0.00 0.00 55.95 55.82 2pn5 s SER 720 Cb 0.15 0.63 0.04 0.00 0.10 0.00 0.00 66.02 66.95 2pn5 s SER 720 CO 0.88 -1.17 0.18 -0.47 0.98 0.00 0.00 173.24 173.64 2pn5 s TYR 721 N -3.91 -0.22 -0.09 5.02 5.04 -0.70 -4.96 117.35 117.53 2pn5 s TYR 721 Ca 0.12 0.59 0.03 0.00 -2.44 0.00 0.00 57.07 55.37 2pn5 s TYR 721 Cb -0.03 -0.05 0.01 0.00 0.35 0.00 0.00 41.96 42.24 2pn5 s TYR 721 CO 0.02 -0.20 -0.19 0.99 -1.34 0.00 0.00 175.55 174.84 2pn5 s THR 722 N 1.27 1.67 0.16 4.34 2.01 -1.26 -1.33 115.64 122.50 2pn5 s THR 722 Ca -0.09 -0.79 0.10 0.00 0.31 0.00 0.00 61.69 61.22 2pn5 s THR 722 Cb -0.11 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.89 2pn5 s THR 722 CO -0.07 0.47 -0.22 -0.54 -0.69 0.00 0.00 174.62 173.58 2pn5 s LYS 723 N 0.48 1.36 0.20 4.92 1.02 -0.55 -4.97 119.74 122.20 2pn5 s LYS 723 Ca -0.17 -1.41 0.11 0.00 0.02 0.00 0.00 55.97 54.51 2pn5 s LYS 723 Cb -0.17 -1.61 -0.04 0.00 -0.52 0.00 0.00 37.83 35.49 2pn5 s LYS 723 CO 0.07 0.35 -0.18 -1.12 -0.92 0.00 0.00 175.35 173.54 2pn5 s SER 724 N -2.49 3.74 -0.09 2.83 0.01 -1.26 -0.88 113.70 115.55 2pn5 s SER 724 Ca 0.16 -0.78 -0.23 0.00 1.31 0.00 0.00 55.95 56.41 2pn5 s SER 724 Cb -0.08 -0.42 0.05 0.00 0.21 0.00 0.00 66.02 65.78 2pn5 s SER 724 CO 0.08 0.11 0.55 -0.69 0.41 0.00 0.00 173.24 173.69 2pn5 s VAL 725 N -1.75 0.02 0.26 3.43 1.01 -0.77 -4.99 120.40 117.60 2pn5 s VAL 725 Ca 0.23 -0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 2pn5 s VAL 725 Cb -0.08 -0.84 -0.09 0.00 0.00 0.00 0.00 36.38 35.37 2pn5 s VAL 725 CO 0.12 -0.07 0.98 -0.55 0.00 0.00 0.00 175.10 175.58 2pn5 s SER 726 N -0.78 7.52 -0.28 3.32 0.15 -1.26 -0.15 113.70 122.22 2pn5 s SER 726 Ca -0.08 2.02 -0.01 0.00 0.70 0.00 0.00 55.95 58.58 2pn5 s SER 726 Cb -0.03 -2.61 0.09 0.00 -1.71 0.00 0.00 66.02 61.76 2pn5 s SER 726 CO 0.06 0.06 0.07 -0.69 1.20 0.00 0.00 173.24 173.94 2pn5 s VAL 727 N -1.21 0.87 0.81 4.45 1.01 -0.03 -4.90 120.40 121.40 2pn5 s VAL 727 Ca 0.43 -1.20 -0.10 0.00 0.00 0.00 0.00 61.98 61.10 2pn5 s VAL 727 Cb -0.27 -1.55 0.08 0.00 0.00 0.00 0.00 36.38 34.64 2pn5 s VAL 727 CO 0.34 -0.52 1.10 -2.16 0.00 0.00 0.00 175.10 173.86 2pn5 s PRO 728 N 1.64 1.97 0.31 2.72 0.04 -1.26 -2.13 135.00 138.29 2pn5 s PRO 728 Ca 0.06 1.23 -0.30 0.00 0.04 0.00 0.00 61.00 62.03 2pn5 s PRO 728 Cb -0.17 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.40 2pn5 s PRO 728 CO -0.20 -1.86 1.56 -2.14 0.04 0.00 0.00 177.00 174.40 2pn5 s PRO 729 N -4.86 4.13 -1.50 0.56 0.02 -1.26 -3.47 135.00 128.63 2pn5 s PRO 729 Ca 0.62 2.55 -0.02 0.00 0.02 0.00 0.00 61.00 64.17 2pn5 s PRO 729 Cb -0.18 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.32 2pn5 s PRO 729 CO 0.56 -0.59 0.25 1.63 -0.33 0.00 0.00 177.00 178.53 2pn5 n LYS 730 N 1.81 -2.81 -3.73 5.54 4.01 0.41 -4.97 118.16 118.41 2pn5 n LYS 730 Ca 0.06 0.86 -0.22 0.00 -0.51 0.00 0.00 58.31 58.51 2pn5 n LYS 730 Cb 0.38 -5.45 -0.18 0.00 -0.51 0.00 0.00 35.03 29.27 2pn5 n LYS 730 CO 0.00 0.00 0.00 0.08 -1.11 0.00 0.00 177.40 176.37 2pn5 s VAL 731 N -3.01 0.19 0.11 -0.18 1.01 -1.23 -4.42 120.40 112.88 2pn5 s VAL 731 Ca 0.12 0.22 -0.31 0.00 0.00 0.00 0.00 61.98 62.01 2pn5 s VAL 731 Cb -0.05 -0.40 -0.09 0.00 0.00 0.00 0.00 36.38 35.84 2pn5 s VAL 731 CO 0.15 0.21 1.55 -0.83 0.00 0.00 0.00 175.10 176.19 2pn5 s GLY 732 N 2.05 1.66 -0.06 4.51 0.00 -0.74 -4.62 107.32 110.11 2pn5 s GLY 732 Ca 0.05 1.24 0.05 0.00 0.00 0.00 0.00 44.72 46.06 2pn5 s GLY 732 CO -0.05 2.65 -0.22 -1.34 0.00 0.00 0.00 173.10 174.14 2pn5 s VAL 733 N 1.69 1.85 0.61 1.40 -7.23 -0.94 -4.42 120.40 113.35 2pn5 s VAL 733 Ca 0.70 -0.95 -0.12 0.00 -1.81 0.00 0.00 61.98 59.80 2pn5 s VAL 733 Cb -0.40 -1.58 -0.04 0.00 0.56 0.00 0.00 36.38 34.92 2pn5 s VAL 733 CO 0.31 0.52 1.03 -2.16 -0.31 0.00 0.00 175.10 174.48 2pn5 s PRO 734 N -0.03 3.63 -0.13 4.82 0.04 -1.26 -0.49 135.00 141.57 2pn5 s PRO 734 Ca -0.05 0.79 -0.19 0.00 0.04 0.00 0.00 61.00 61.58 2pn5 s PRO 734 Cb -0.14 -2.08 0.05 0.00 0.04 0.00 0.00 34.50 32.37 2pn5 s PRO 734 CO 0.04 -0.55 0.49 -1.50 0.04 0.00 0.00 177.00 175.52 2pn5 s ILE 735 N -3.10 0.01 0.08 0.56 1.10 -0.46 -4.88 121.20 114.51 2pn5 s ILE 735 Ca 0.56 -0.10 -0.16 0.00 -0.51 0.00 0.00 60.65 60.44 2pn5 s ILE 735 Cb -0.11 -0.73 0.03 0.00 0.15 0.00 0.00 42.46 41.80 2pn5 s ILE 735 CO 0.51 -0.06 0.37 -0.94 -2.11 0.00 0.00 174.94 172.71 2pn5 s SER 736 N -0.30 -0.20 -0.03 4.50 1.04 -1.26 -0.27 113.70 117.18 2pn5 s SER 736 Ca -0.05 -0.23 0.03 0.00 0.48 0.00 0.00 55.95 56.18 2pn5 s SER 736 Cb -0.03 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.52 2pn5 s SER 736 CO 0.03 -0.75 -0.11 -0.36 0.98 0.00 0.00 173.24 173.03 2pn5 s PHE 737 N -3.22 1.16 -0.38 5.02 0.40 -0.57 -4.94 117.98 115.45 2pn5 s PHE 737 Ca -0.01 -0.30 -0.17 0.00 -0.60 0.00 0.00 56.93 55.85 2pn5 s PHE 737 Cb 0.01 -0.81 0.00 0.00 0.51 0.00 0.00 43.02 42.74 2pn5 s PHE 737 CO -0.08 -0.12 0.44 -1.17 0.70 0.00 0.00 175.22 175.00 2pn5 s LEU 738 N 0.14 4.56 0.27 -0.37 0.20 -1.26 -0.31 118.68 121.91 2pn5 s LEU 738 Ca -0.03 -0.33 0.04 0.00 0.69 0.00 0.00 54.13 54.50 2pn5 s LEU 738 Cb -0.09 -2.44 -0.06 0.00 -0.43 0.00 0.00 46.19 43.17 2pn5 s LEU 738 CO 0.01 -0.48 0.02 0.27 -0.29 0.00 0.00 176.35 175.87 2pn5 s ILE 739 N 2.21 1.16 0.04 6.68 -4.36 0.11 -1.89 121.20 125.14 2pn5 s ILE 739 Ca 0.14 -2.03 0.05 0.00 -0.26 0.00 0.00 60.65 58.55 2pn5 s ILE 739 Cb -0.16 -2.55 -0.02 0.00 1.25 0.00 0.00 42.46 40.98 2pn5 s ILE 739 CO 0.13 -0.18 -0.15 -0.54 0.24 0.00 0.00 174.94 174.44 2pn5 s LYS 740 N -3.86 0.99 0.01 0.37 1.02 -0.15 -0.47 119.74 117.64 2pn5 s LYS 740 Ca 0.32 -0.77 -0.19 0.00 0.02 0.00 0.00 55.97 55.35 2pn5 s LYS 740 Cb 0.07 -1.01 -0.06 0.00 -0.52 0.00 0.00 37.83 36.31 2pn5 s LYS 740 CO 0.12 0.25 0.54 0.00 -0.92 0.00 0.00 175.35 175.34 2pn5 s ALA 741 N -0.84 3.56 -0.16 5.17 0.00 -1.26 -1.40 121.76 126.84 2pn5 s ALA 741 Ca 0.02 -0.04 0.04 0.00 0.00 0.00 0.00 51.96 51.98 2pn5 s ALA 741 Cb -0.08 -2.62 -0.23 0.00 0.00 0.00 0.00 23.12 20.19 2pn5 s ALA 741 CO 0.01 0.29 0.22 0.54 0.00 0.00 0.00 175.76 176.82 2pn5 n ARG 742 N 2.30 0.69 -5.18 0.00 5.12 -0.36 -3.68 116.66 115.55 2pn5 n ARG 742 Ca -0.10 0.19 -0.29 0.00 -1.93 0.00 0.00 57.85 55.72 2pn5 n ARG 742 Cb 0.51 -1.64 -0.16 0.00 -1.16 0.00 0.00 32.46 30.01 2pn5 n ARG 742 CO 0.00 0.00 0.00 0.15 -1.93 0.00 0.00 177.63 175.85 2pn5 s LYS 743 N -2.55 2.00 0.58 5.56 1.02 -1.26 -5.02 119.74 120.07 2pn5 s LYS 743 Ca -0.20 -0.85 -0.19 0.00 0.02 0.00 0.00 55.97 54.75 2pn5 s LYS 743 Cb 0.07 -1.89 -0.04 0.00 -0.52 0.00 0.00 37.83 35.46 2pn5 s LYS 743 CO 0.74 0.49 1.23 -0.51 -0.92 0.00 0.00 175.35 176.38 2pn5 s LEU 744 N -0.48 3.71 0.00 3.17 1.43 -1.26 -4.75 118.68 120.49 2pn5 s LEU 744 Ca 0.07 2.44 0.00 0.00 -1.03 0.00 0.00 54.13 55.61 2pn5 s LEU 744 Cb -0.10 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.59 2pn5 s LEU 744 CO -0.00 -1.55 0.00 0.61 0.23 0.00 0.00 176.35 175.64 2pn5 n GLY 745 N 0.55 0.27 3.68 -3.19 0.00 -0.86 -4.96 105.19 100.68 2pn5 n GLY 745 Ca 0.13 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.66 2pn5 n GLY 745 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2pn5 s GLU 746 N 0.00 4.33 -0.22 1.61 2.02 -1.26 -0.12 118.70 125.06 2pn5 s GLU 746 Ca 0.00 0.92 -0.15 0.00 0.02 0.00 0.00 54.97 55.76 2pn5 s GLU 746 Cb 0.00 -3.54 -0.04 0.00 0.10 0.00 0.00 34.13 30.65 2pn5 s GLU 746 CO 0.00 -0.19 0.36 1.41 0.02 0.00 0.00 175.26 176.86 2pn5 s MET 747 N 1.70 4.14 -0.05 1.61 -2.45 0.21 -4.95 119.30 119.51 2pn5 s MET 747 Ca 0.37 0.11 -0.30 0.00 -1.25 0.00 0.00 55.69 54.62 2pn5 s MET 747 Cb -0.17 -3.55 -0.03 0.00 1.25 0.00 0.00 34.83 32.32 2pn5 s MET 747 CO 0.14 -0.06 1.19 0.00 1.05 0.00 0.00 175.02 177.34 2pn5 s ALA 748 N 1.38 3.48 -0.53 4.11 0.00 -1.26 -1.92 121.76 127.03 2pn5 s ALA 748 Ca 0.17 0.62 -0.12 0.00 0.00 0.00 0.00 51.96 52.63 2pn5 s ALA 748 Cb -0.15 -3.51 0.13 0.00 0.00 0.00 0.00 23.12 19.60 2pn5 s ALA 748 CO 0.08 -0.73 0.44 0.08 0.00 0.00 0.00 175.76 175.62 2pn5 s VAL 749 N 2.13 4.69 -0.32 0.00 1.01 0.07 -4.76 120.40 123.23 2pn5 s VAL 749 Ca 0.56 -1.75 -0.06 0.00 0.00 0.00 0.00 61.98 60.72 2pn5 s VAL 749 Cb -0.25 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.12 2pn5 s VAL 749 CO 0.22 -0.84 0.08 -0.60 0.00 0.00 0.00 175.10 173.96 2pn5 s ARG 750 N 1.33 2.74 -0.03 2.72 3.52 -1.26 -1.12 118.95 126.85 2pn5 s ARG 750 Ca 0.06 -1.09 0.05 0.00 -0.13 0.00 0.00 55.73 54.62 2pn5 s ARG 750 Cb -0.26 -3.38 -0.01 0.00 -1.56 0.00 0.00 34.95 29.74 2pn5 s ARG 750 CO 0.00 -0.58 -0.17 0.08 -0.81 0.00 0.00 175.30 173.82 2pn5 s VAL 751 N 1.41 1.40 -0.04 7.11 1.01 -0.71 -1.12 120.40 129.46 2pn5 s VAL 751 Ca -0.01 -0.72 0.05 0.00 0.00 0.00 0.00 61.98 61.30 2pn5 s VAL 751 Cb -0.19 -1.19 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 2pn5 s VAL 751 CO 0.02 0.40 -0.20 -0.54 0.00 0.00 0.00 175.10 174.78 2pn5 s LYS 752 N -0.12 1.89 0.04 2.72 1.02 -0.44 -1.16 119.74 123.68 2pn5 s LYS 752 Ca 0.00 -0.71 0.05 0.00 0.02 0.00 0.00 55.97 55.33 2pn5 s LYS 752 Cb -0.10 -1.69 -0.02 0.00 -0.52 0.00 0.00 37.83 35.50 2pn5 s LYS 752 CO 0.01 0.34 -0.15 0.00 -0.92 0.00 0.00 175.35 174.63 2pn5 s ALA 753 N -0.19 1.24 0.18 5.17 0.00 0.31 -0.22 121.76 128.25 2pn5 s ALA 753 Ca 0.00 -0.84 -0.15 0.00 0.00 0.00 0.00 51.96 50.97 2pn5 s ALA 753 Cb -0.11 -0.20 0.02 0.00 0.00 0.00 0.00 23.12 22.83 2pn5 s ALA 753 CO 0.01 0.24 0.44 -1.54 0.00 0.00 0.00 175.76 174.92 2pn5 s SER 754 N -1.11 -0.17 0.00 0.00 1.04 -0.89 -0.60 113.70 111.98 2pn5 s SER 754 Ca 0.02 -0.58 0.00 0.00 0.48 0.00 0.00 55.95 55.88 2pn5 s SER 754 Cb -0.08 0.53 0.00 0.00 0.10 0.00 0.00 66.02 66.57 2pn5 s SER 754 CO 0.01 -0.99 0.00 2.30 0.98 0.00 0.00 173.24 175.54 2pn5 n ILE 755 N -0.29 0.00 -3.44 -1.02 -5.35 -0.94 -0.20 119.36 108.12 2pn5 n ILE 755 Ca -0.10 0.00 -0.32 0.00 -0.27 0.00 0.00 62.75 62.06 2pn5 n ILE 755 Cb 0.63 -0.88 -0.06 0.00 -1.74 0.00 0.00 39.64 37.58 2pn5 n ILE 755 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 2pn5 n MET 756 N -2.62 2.87 -2.64 6.28 2.81 -1.26 -4.50 117.12 118.05 2pn5 n MET 756 Ca 0.00 -4.59 -0.16 0.00 -1.81 0.00 0.00 57.70 51.14 2pn5 n MET 756 Cb 0.39 -2.35 -0.00 0.00 -0.71 0.00 0.00 33.22 30.55 2pn5 n MET 756 CO 0.00 0.00 0.00 1.28 1.51 0.00 0.00 175.97 178.76 2pn5 n LEU 757 N 1.38 -1.38 0.00 4.03 4.77 -1.26 -1.52 117.00 123.01 2pn5 n LEU 757 Ca 0.26 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.28 2pn5 n LEU 757 Cb 0.38 -2.26 0.00 0.00 -2.33 0.00 0.00 43.42 39.21 2pn5 n LEU 757 CO 0.45 -0.06 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2pn5 n GLY 758 N -0.94 0.71 0.00 -0.72 0.00 -1.26 -4.91 105.19 98.06 2pn5 n GLY 758 Ca -0.13 0.00 0.06 0.00 0.00 0.00 0.00 46.02 45.96 2pn5 n GLY 758 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2pn5 n HIS 759 N -2.57 0.00 -3.52 1.61 8.25 -0.58 -4.55 115.22 113.86 2pn5 n HIS 759 Ca 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 2pn5 n HIS 759 Cb 0.00 -0.40 -0.06 0.00 1.12 0.00 0.00 29.99 30.65 2pn5 n HIS 759 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2pn5 s GLU 760 N -2.80 0.46 0.10 -0.41 2.56 -1.26 -4.96 118.70 112.39 2pn5 s GLU 760 Ca 0.09 1.11 0.02 0.00 0.00 0.00 0.00 54.97 56.19 2pn5 s GLU 760 Cb 0.09 0.45 -0.04 0.00 2.00 0.00 0.00 34.13 36.63 2pn5 s GLU 760 CO 0.22 -0.36 -0.07 0.95 -0.56 0.00 0.00 175.26 175.44 2pn5 s THR 761 N 2.75 0.75 0.03 -1.70 -4.23 -1.26 -2.21 115.64 109.78 2pn5 s THR 761 Ca 0.03 -1.91 -0.05 0.00 -1.18 0.00 0.00 61.69 58.58 2pn5 s THR 761 Cb -0.13 -1.66 -0.01 0.00 1.34 0.00 0.00 72.50 72.04 2pn5 s THR 761 CO -0.17 -0.83 0.09 -0.62 -0.54 0.00 0.00 174.62 172.55 2pn5 s ASP 762 N -2.99 0.17 0.02 3.99 2.15 0.23 -4.89 116.67 115.35 2pn5 s ASP 762 Ca 0.11 -0.50 -0.03 0.00 0.43 0.00 0.00 52.55 52.57 2pn5 s ASP 762 Cb 0.04 0.21 -0.01 0.00 -0.30 0.00 0.00 42.92 42.86 2pn5 s ASP 762 CO -0.04 -0.47 0.03 0.00 -0.17 0.00 0.00 175.17 174.52 2pn5 s ALA 763 N -2.36 -0.01 0.01 3.66 0.00 -1.26 -0.53 121.76 121.26 2pn5 s ALA 763 Ca -0.07 -0.49 -0.05 0.00 0.00 0.00 0.00 51.96 51.35 2pn5 s ALA 763 Cb -0.03 0.15 -0.00 0.00 0.00 0.00 0.00 23.12 23.24 2pn5 s ALA 763 CO -0.03 -0.20 0.09 -0.48 0.00 0.00 0.00 175.76 175.14 2pn5 s LEU 764 N -1.57 1.75 -0.27 0.00 0.05 -0.31 -5.01 118.68 113.32 2pn5 s LEU 764 Ca -0.14 -0.27 0.00 0.00 0.05 0.00 0.00 54.13 53.77 2pn5 s LEU 764 Cb -0.08 0.50 0.08 0.00 -2.05 0.00 0.00 46.19 44.64 2pn5 s LEU 764 CO -0.01 -0.34 0.03 -0.70 -0.55 0.00 0.00 176.35 174.78 2pn5 s GLU 765 N -1.34 1.15 0.14 1.48 2.56 -1.26 -1.74 118.70 119.69 2pn5 s GLU 765 Ca -0.14 -1.08 0.01 0.00 0.00 0.00 0.00 54.97 53.76 2pn5 s GLU 765 Cb -0.08 -2.41 -0.00 0.00 2.00 0.00 0.00 34.13 33.64 2pn5 s GLU 765 CO 0.01 -0.79 0.03 1.63 -0.56 0.00 0.00 175.26 175.58 2pn5 n LYS 766 N 4.72 1.09 -3.81 4.30 4.76 -0.28 -4.96 118.16 123.99 2pn5 n LYS 766 Ca -0.06 -1.11 -0.13 0.00 -2.87 0.00 0.00 58.31 54.14 2pn5 n LYS 766 Cb 0.43 0.50 -0.14 0.00 -1.84 0.00 0.00 35.03 33.98 2pn5 n LYS 766 CO 0.00 0.00 0.00 0.08 -1.37 0.00 0.00 177.40 176.11 2pn5 s VAL 767 N -1.87 -0.03 -0.05 -0.18 1.01 -1.26 -0.75 120.40 117.26 2pn5 s VAL 767 Ca 0.04 0.11 0.05 0.00 0.00 0.00 0.00 61.98 62.18 2pn5 s VAL 767 Cb 0.00 -0.11 -0.01 0.00 0.00 0.00 0.00 36.38 36.26 2pn5 s VAL 767 CO 0.03 0.04 -0.20 -0.63 0.00 0.00 0.00 175.10 174.35 2pn5 s ILE 768 N 0.60 1.64 -0.23 2.22 1.01 -0.81 -4.94 121.20 120.69 2pn5 s ILE 768 Ca -0.05 -0.83 -0.23 0.00 0.00 0.00 0.00 60.65 59.53 2pn5 s ILE 768 Cb -0.07 -1.40 -0.01 0.00 0.01 0.00 0.00 42.46 40.99 2pn5 s ILE 768 CO -0.02 0.47 0.77 -0.13 0.00 0.00 0.00 174.94 176.03 2pn5 s ARG 769 N -0.02 4.18 -0.18 2.79 0.52 -0.35 -0.62 118.95 125.27 2pn5 s ARG 769 Ca -0.04 0.84 -0.15 0.00 -0.52 0.00 0.00 55.73 55.86 2pn5 s ARG 769 Cb -0.12 -3.63 -0.04 0.00 0.52 0.00 0.00 34.95 31.67 2pn5 s ARG 769 CO 0.03 -0.46 0.36 0.08 0.02 0.00 0.00 175.30 175.33 2pn5 s VAL 770 N 2.64 5.24 0.28 3.52 1.01 0.83 -1.32 120.40 132.60 2pn5 s VAL 770 Ca 0.33 0.66 0.10 0.00 0.00 0.00 0.00 61.98 63.08 2pn5 s VAL 770 Cb -0.15 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.47 2pn5 s VAL 770 CO 0.08 0.31 -0.16 -0.04 0.00 0.00 0.00 175.10 175.29 2pn5 s MET 771 N 0.95 1.63 0.68 2.72 1.00 -0.04 -2.04 119.30 124.20 2pn5 s MET 771 Ca 0.19 -1.76 -0.08 0.00 0.00 0.00 0.00 55.69 54.03 2pn5 s MET 771 Cb -0.14 -1.59 0.04 0.00 0.00 0.00 0.00 34.83 33.14 2pn5 s MET 771 CO 0.07 0.25 1.02 -1.25 0.00 0.00 0.00 175.02 175.11 2pn5 s PRO 772 N -3.57 2.50 0.10 2.03 0.04 -1.26 -3.76 135.00 131.08 2pn5 s PRO 772 Ca 0.29 -0.01 -0.32 0.00 0.04 0.00 0.00 61.00 61.00 2pn5 s PRO 772 Cb -0.02 -2.15 -0.14 0.00 0.04 0.00 0.00 34.50 32.23 2pn5 s PRO 772 CO 0.13 -1.09 1.51 0.93 0.04 0.00 0.00 177.00 178.53 2pn5 h GLU 773 N -0.54 -0.67 -5.69 4.56 4.39 -1.95 -3.43 114.58 111.25 2pn5 h GLU 773 Ca -0.45 0.05 -0.64 0.00 0.34 0.00 0.00 59.36 58.65 2pn5 h GLU 773 Cb 1.29 0.15 -0.07 0.00 -0.10 0.00 0.00 28.75 30.02 2pn5 h GLU 773 CO 0.62 -0.44 -0.39 0.45 -1.16 0.00 0.00 179.01 178.08 2pn5 s SER 774 N -4.51 6.49 -0.52 1.42 0.15 -1.26 -4.93 113.70 110.54 2pn5 s SER 774 Ca -0.15 0.58 -0.28 0.00 0.70 0.00 0.00 55.95 56.80 2pn5 s SER 774 Cb 0.06 -2.13 -0.10 0.00 -1.71 0.00 0.00 66.02 62.14 2pn5 s SER 774 CO 0.56 0.34 2.41 -0.11 1.20 0.00 0.00 173.24 177.65 2pn5 n LEU 775 N 2.22 2.09 -4.73 3.45 7.94 -1.26 -4.86 117.00 121.85 2pn5 n LEU 775 Ca -0.17 -0.21 -0.42 0.00 -1.11 0.00 0.00 56.01 54.10 2pn5 n LEU 775 Cb 0.54 -1.44 -0.02 0.00 0.53 0.00 0.00 43.42 43.02 2pn5 n LEU 775 CO 0.34 -1.24 1.28 1.33 -1.11 0.00 0.00 177.39 177.99 2pn5 n VAL 776 N 7.80 0.54 -3.72 1.96 0.24 -1.26 -4.97 118.33 118.92 2pn5 n VAL 776 Ca 0.41 -0.14 -0.37 0.00 -2.04 0.00 0.00 64.34 62.21 2pn5 n VAL 776 Cb 0.42 -1.91 -0.10 0.00 -1.47 0.00 0.00 33.84 30.77 2pn5 n VAL 776 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2pn5 s GLN 777 N 0.26 2.37 0.31 7.34 -0.21 -1.26 -5.03 119.66 123.45 2pn5 s GLN 777 Ca 0.70 -2.22 -0.29 0.00 0.02 0.00 0.00 55.36 53.56 2pn5 s GLN 777 Cb -0.52 -3.71 -0.10 0.00 1.00 0.00 0.00 33.01 29.68 2pn5 s GLN 777 CO 0.41 -1.14 1.36 -1.25 -2.12 0.00 0.00 175.29 172.55 2pn5 s PRO 778 N 0.47 4.31 -0.11 2.91 0.04 -1.26 -4.58 135.00 136.78 2pn5 s PRO 778 Ca 0.13 2.27 -0.01 0.00 0.04 0.00 0.00 61.00 63.42 2pn5 s PRO 778 Cb -0.21 -3.08 -0.03 0.00 0.04 0.00 0.00 34.50 31.22 2pn5 s PRO 778 CO -0.04 -0.28 -0.06 0.50 0.04 0.00 0.00 177.00 177.16 2pn5 s ARG 779 N -1.38 3.23 -0.17 4.56 3.52 -0.96 -4.80 118.95 122.95 2pn5 s ARG 779 Ca 0.52 -0.55 0.00 0.00 -0.13 0.00 0.00 55.73 55.58 2pn5 s ARG 779 Cb -0.41 -2.74 0.00 0.00 -1.56 0.00 0.00 34.95 30.25 2pn5 s ARG 779 CO 0.51 0.43 -0.16 1.41 -0.81 0.00 0.00 175.30 176.67 2pn5 s MET 780 N -0.16 3.15 -0.21 5.12 -2.45 -1.26 -0.64 119.30 122.85 2pn5 s MET 780 Ca 0.02 -0.77 -0.14 0.00 -1.25 0.00 0.00 55.69 53.55 2pn5 s MET 780 Cb -0.13 -2.63 -0.04 0.00 1.25 0.00 0.00 34.83 33.27 2pn5 s MET 780 CO 0.03 -0.07 0.32 -0.51 1.05 0.00 0.00 175.02 175.83 2pn5 s ASP 781 N 1.02 6.33 0.01 1.11 1.01 -0.26 -4.70 116.67 121.19 2pn5 s ASP 781 Ca -0.01 0.38 0.04 0.00 0.71 0.00 0.00 52.55 53.67 2pn5 s ASP 781 Cb -0.15 -2.19 -0.01 0.00 1.01 0.00 0.00 42.92 41.58 2pn5 s ASP 781 CO -0.04 -0.03 -0.12 0.28 0.21 0.00 0.00 175.17 175.48 2pn5 s THR 782 N 1.20 0.91 -0.03 -1.27 -1.32 -1.26 -0.45 115.64 113.42 2pn5 s THR 782 Ca 0.15 -0.66 0.03 0.00 -1.21 0.00 0.00 61.69 60.00 2pn5 s THR 782 Cb -0.14 -0.80 -0.00 0.00 -1.51 0.00 0.00 72.50 70.05 2pn5 s THR 782 CO 0.07 0.13 -0.13 -0.13 -2.21 0.00 0.00 174.62 172.34 2pn5 s ARG 783 N -0.61 1.37 0.23 7.08 0.52 -0.45 -4.25 118.95 122.83 2pn5 s ARG 783 Ca 0.02 -0.46 0.07 0.00 -0.52 0.00 0.00 55.73 54.85 2pn5 s ARG 783 Cb -0.06 -1.22 -0.04 0.00 0.52 0.00 0.00 34.95 34.15 2pn5 s ARG 783 CO 0.00 0.18 0.09 -0.59 0.02 0.00 0.00 175.30 175.01 2pn5 s PHE 784 N 0.11 2.96 0.05 -0.53 -0.71 -1.26 -0.18 117.98 118.41 2pn5 s PHE 784 Ca -0.03 -0.13 0.05 0.00 -1.04 0.00 0.00 56.93 55.78 2pn5 s PHE 784 Cb -0.10 -1.36 -0.02 0.00 -1.21 0.00 0.00 43.02 40.33 2pn5 s PHE 784 CO 0.01 0.55 -0.14 -0.59 -1.34 0.00 0.00 175.22 173.71 2pn5 s PHE 785 N -2.04 1.24 -0.29 3.49 -0.71 -0.58 -4.99 117.98 114.10 2pn5 s PHE 785 Ca 0.31 -0.39 -0.04 0.00 -1.04 0.00 0.00 56.93 55.78 2pn5 s PHE 785 Cb -0.08 -0.72 0.10 0.00 -1.21 0.00 0.00 43.02 41.11 2pn5 s PHE 785 CO 0.22 0.05 0.14 0.00 -1.34 0.00 0.00 175.22 174.29 2pn5 s PHE 787 N 2.03 3.19 -0.12 0.00 2.99 0.15 -4.98 117.98 121.24 2pn5 s PHE 787 Ca 0.10 -0.52 -0.08 0.00 0.00 0.00 0.00 56.93 56.43 2pn5 s PHE 787 Cb -0.16 -2.38 -0.07 0.00 0.00 0.00 0.00 43.02 40.41 2pn5 s PHE 787 CO -0.34 -0.44 0.17 -0.44 -0.00 0.00 0.00 175.22 174.17 2pn5 h ASP 788 N 8.38 0.00 -3.11 1.36 3.32 -1.93 -2.13 116.42 122.31 2pn5 h ASP 788 Ca -0.32 -0.24 -0.47 0.00 0.02 0.00 0.00 57.03 56.02 2pn5 h ASP 788 Cb 1.15 0.00 0.03 0.00 0.22 0.00 0.00 39.33 40.73 2pn5 h ASP 788 CO 0.62 0.66 -0.02 -1.81 -1.72 0.00 0.00 179.24 176.97 2pn5 s ASP 789 N -5.75 5.99 -0.15 6.45 1.11 -1.26 -4.86 116.67 118.19 2pn5 s ASP 789 Ca -0.06 0.55 -0.33 0.00 0.18 0.00 0.00 52.55 52.88 2pn5 s ASP 789 Cb -0.00 -1.83 -0.11 0.00 1.07 0.00 0.00 42.92 42.05 2pn5 s ASP 789 CO 0.19 -0.65 1.99 1.41 1.18 0.00 0.00 175.17 179.29 2pn5 n HIS 790 N -2.15 2.16 -4.38 4.23 8.25 -1.26 -4.78 115.22 117.29 2pn5 n HIS 790 Ca 0.00 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.26 2pn5 n HIS 790 Cb 0.57 -2.66 -0.13 0.00 1.12 0.00 0.00 29.99 28.88 2pn5 n HIS 790 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2pn5 s LYS 791 N 4.82 1.00 -0.13 -0.41 1.02 -0.32 -4.95 119.74 120.76 2pn5 s LYS 791 Ca 0.97 -0.81 -0.01 0.00 0.02 0.00 0.00 55.97 56.14 2pn5 s LYS 791 Cb -0.65 -1.03 -0.02 0.00 -0.52 0.00 0.00 37.83 35.61 2pn5 s LYS 791 CO 0.48 0.25 -0.11 -0.80 -0.92 0.00 0.00 175.35 174.26 2pn5 s ASN 792 N -1.20 4.21 -0.05 2.83 0.01 -1.26 -0.93 114.94 118.55 2pn5 s ASN 792 Ca 0.02 -0.27 -0.09 0.00 -0.71 0.00 0.00 52.86 51.81 2pn5 s ASN 792 Cb -0.08 -1.63 0.02 0.00 0.41 0.00 0.00 41.25 39.97 2pn5 s ASN 792 CO 0.01 0.17 0.22 -1.58 -1.51 0.00 0.00 177.10 174.42 2pn5 s GLN 793 N 0.30 0.40 -0.25 -0.60 0.74 0.76 -5.00 119.66 116.00 2pn5 s GLN 793 Ca -0.08 0.03 0.03 0.00 0.05 0.00 0.00 55.36 55.39 2pn5 s GLN 793 Cb -0.15 0.18 0.06 0.00 1.10 0.00 0.00 33.01 34.19 2pn5 s GLN 793 CO 0.05 -0.08 -0.12 -0.08 -0.55 0.00 0.00 175.29 174.51 2pn5 s THR 794 N -0.54 2.17 -0.37 -0.34 -1.32 -1.26 0.18 115.64 114.15 2pn5 s THR 794 Ca -0.06 -1.57 -0.16 0.00 -1.21 0.00 0.00 61.69 58.69 2pn5 s THR 794 Cb -0.04 -2.24 0.00 0.00 -1.51 0.00 0.00 72.50 68.71 2pn5 s THR 794 CO 0.01 0.03 0.38 -0.36 -2.21 0.00 0.00 174.62 172.47 2pn5 s PHE 795 N 1.12 3.20 0.19 9.09 0.08 0.19 -4.94 117.98 126.90 2pn5 s PHE 795 Ca -0.08 -0.17 -0.13 0.00 0.12 0.00 0.00 56.93 56.68 2pn5 s PHE 795 Cb -0.19 -2.74 -0.07 0.00 -0.57 0.00 0.00 43.02 39.45 2pn5 s PHE 795 CO -0.06 -0.53 0.56 -1.25 -0.10 0.00 0.00 175.22 173.84 2pn5 s PRO 796 N 2.04 3.91 -0.04 0.24 0.04 -1.26 -0.46 135.00 139.46 2pn5 s PRO 796 Ca 0.11 0.41 0.00 0.00 0.04 0.00 0.00 61.00 61.57 2pn5 s PRO 796 Cb -0.17 -2.80 0.03 0.00 0.04 0.00 0.00 34.50 31.59 2pn5 s PRO 796 CO 0.12 0.40 -0.01 0.42 0.04 0.00 0.00 177.00 177.97 2pn5 s ILE 797 N -1.62 0.35 -0.11 0.56 1.01 0.39 -4.99 121.20 116.79 2pn5 s ILE 797 Ca 0.42 0.03 -0.11 0.00 0.00 0.00 0.00 60.65 60.99 2pn5 s ILE 797 Cb -0.13 -0.44 -0.05 0.00 0.01 0.00 0.00 42.46 41.85 2pn5 s ILE 797 CO 0.20 0.20 0.25 0.21 0.00 0.00 0.00 174.94 175.80 2pn5 s ASN 798 N 1.23 6.50 -0.17 3.58 3.04 -1.26 -1.32 114.94 126.53 2pn5 s ASN 798 Ca -0.07 0.59 0.13 0.00 0.04 0.00 0.00 52.86 53.55 2pn5 s ASN 798 Cb -0.13 -2.15 -0.20 0.00 -1.54 0.00 0.00 41.25 37.23 2pn5 s ASN 798 CO -0.02 0.29 0.03 0.18 -3.04 0.00 0.00 177.10 174.54 2pn5 n LEU 799 N 2.48 0.36 0.00 3.21 4.77 -1.13 -4.75 117.00 121.95 2pn5 n LEU 799 Ca -0.16 -0.01 0.02 0.00 -0.03 0.00 0.00 56.01 55.83 2pn5 n LEU 799 Cb 0.53 0.27 0.13 0.00 -2.33 0.00 0.00 43.42 42.02 2pn5 n LEU 799 CO 0.36 0.46 0.33 0.47 -1.33 0.00 0.00 177.39 177.67 2pn5 n ASP 800 N -2.67 0.00 -3.66 -1.43 8.00 -1.26 -4.02 116.55 111.51 2pn5 n ASP 800 Ca -0.28 -0.24 -0.42 0.00 0.71 0.00 0.00 54.79 54.56 2pn5 n ASP 800 Cb 1.02 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 42.10 2pn5 n ASP 800 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2pn5 n ILE 801 N -0.86 3.15 -2.01 0.53 -0.00 -1.26 -4.45 119.36 114.45 2pn5 n ILE 801 Ca 0.03 -2.63 -0.04 0.00 -0.00 0.00 0.00 62.75 60.11 2pn5 n ILE 801 Cb 0.02 -2.54 -0.04 0.00 -0.00 0.00 0.00 39.64 37.08 2pn5 n ILE 801 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 2pn5 n ASN 802 N 6.15 -0.56 -3.68 7.28 2.04 -1.26 -5.15 115.26 120.08 2pn5 n ASN 802 Ca 0.53 -1.64 -0.15 0.00 -0.44 0.00 0.00 54.58 52.89 2pn5 n ASN 802 Cb 0.37 0.17 -0.08 0.00 -2.53 0.00 0.00 39.78 37.71 2pn5 n ASN 802 CO 0.00 0.00 0.00 -0.75 -0.44 0.00 0.00 177.26 176.07 2pn5 s LYS 803 N 0.00 0.77 0.00 -3.83 2.20 -1.26 -4.89 119.74 112.74 2pn5 s LYS 803 Ca 0.01 0.05 0.00 0.00 -0.36 0.00 0.00 55.97 55.67 2pn5 s LYS 803 Cb 0.01 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.69 2pn5 s LYS 803 CO -0.00 -0.21 0.00 1.63 -0.36 0.00 0.00 175.35 176.40 2pn5 n LYS 804 N 1.36 1.04 0.25 4.03 5.02 -1.26 -5.06 118.16 123.54 2pn5 n LYS 804 Ca -0.20 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 55.98 2pn5 n LYS 804 Cb 0.56 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.52 2pn5 n LYS 804 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2pn5 h ALA 805 N 1.00 -0.72 -4.15 7.82 0.00 -2.02 -3.44 119.26 117.74 2pn5 h ALA 805 Ca 0.00 -0.15 -0.69 0.00 0.00 0.00 0.00 54.91 54.06 2pn5 h ALA 805 Cb 0.00 0.27 -0.30 0.00 0.00 0.00 0.00 17.79 17.77 2pn5 h ALA 805 CO 0.00 -0.67 -0.86 -0.51 0.00 0.00 0.00 179.25 177.21 2pn5 s ASP 806 N -4.67 3.24 0.00 0.00 1.11 -1.26 -4.97 116.67 110.12 2pn5 s ASP 806 Ca -0.10 -0.45 0.00 0.00 0.18 0.00 0.00 52.55 52.18 2pn5 s ASP 806 Cb 0.01 -0.74 0.00 0.00 1.07 0.00 0.00 42.92 43.26 2pn5 s ASP 806 CO 0.31 0.28 0.31 -1.20 1.18 0.00 0.00 175.17 176.04 2pn5 n SER 807 N 2.75 0.01 0.00 0.27 7.64 -1.26 -3.54 113.62 119.48 2pn5 n SER 807 Ca -0.17 -1.00 0.00 0.00 1.01 0.00 0.00 58.87 58.71 2pn5 n SER 807 Cb 0.52 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.72 2pn5 n SER 807 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pn5 n GLY 808 N -0.00 0.40 3.15 0.23 0.00 -1.26 -3.16 105.19 104.55 2pn5 n GLY 808 Ca 0.00 0.76 0.05 0.00 0.00 0.00 0.00 46.02 46.84 2pn5 n GLY 808 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pn5 s SER 809 N -3.95 -0.49 0.23 1.61 1.04 -1.26 -5.14 113.70 105.74 2pn5 s SER 809 Ca 0.00 0.14 -0.31 0.00 0.48 0.00 0.00 55.95 56.26 2pn5 s SER 809 Cb 0.00 1.35 -0.10 0.00 0.10 0.00 0.00 66.02 67.36 2pn5 s SER 809 CO 0.00 -0.09 1.54 0.42 0.98 0.00 0.00 173.24 176.09 2pn5 s THR 810 N 2.95 2.47 -0.14 2.02 -4.23 -1.19 -4.85 115.64 112.66 2pn5 s THR 810 Ca 0.17 0.37 -0.09 0.00 -1.18 0.00 0.00 61.69 60.95 2pn5 s THR 810 Cb -0.05 -3.24 -0.04 0.00 1.34 0.00 0.00 72.50 70.51 2pn5 s THR 810 CO -0.19 0.05 0.16 -0.75 -0.54 0.00 0.00 174.62 173.35 2pn5 s LYS 811 N 0.21 3.78 0.00 3.99 2.20 -1.18 -4.90 119.74 123.85 2pn5 s LYS 811 Ca 0.65 -0.11 0.03 0.00 -0.36 0.00 0.00 55.97 56.17 2pn5 s LYS 811 Cb -0.44 -3.29 -0.01 0.00 -1.51 0.00 0.00 37.83 32.58 2pn5 s LYS 811 CO 0.39 0.57 -0.09 0.96 -0.36 0.00 0.00 175.35 176.83 2pn5 s ILE 812 N -0.45 0.68 -0.01 5.43 -4.36 -1.26 -0.43 121.20 120.80 2pn5 s ILE 812 Ca 0.13 -0.46 0.02 0.00 -0.26 0.00 0.00 60.65 60.09 2pn5 s ILE 812 Cb -0.12 -0.59 -0.01 0.00 1.25 0.00 0.00 42.46 43.00 2pn5 s ILE 812 CO 0.02 0.12 -0.08 -1.83 0.24 0.00 0.00 174.94 173.42 2pn5 s GLU 813 N -0.38 0.62 0.02 0.37 -1.05 -0.34 -3.27 118.70 114.68 2pn5 s GLU 813 Ca 0.02 -0.28 -0.14 0.00 -0.15 0.00 0.00 54.97 54.43 2pn5 s GLU 813 Cb -0.04 -0.60 -0.06 0.00 -0.44 0.00 0.00 34.13 32.99 2pn5 s GLU 813 CO -0.00 0.16 0.41 0.12 0.95 0.00 0.00 175.26 176.90 2pn5 s PHE 814 N -0.19 3.69 -0.02 4.83 5.36 0.54 -0.28 117.98 131.91 2pn5 s PHE 814 Ca 0.03 0.95 0.01 0.00 -0.96 0.00 0.00 56.93 56.96 2pn5 s PHE 814 Cb -0.03 -2.26 0.01 0.00 -0.34 0.00 0.00 43.02 40.40 2pn5 s PHE 814 CO -0.00 0.61 -0.05 1.03 -1.46 0.00 0.00 175.22 175.35 2pn5 s ARG 815 N -1.31 0.58 -0.20 10.12 0.52 0.51 -0.78 118.95 128.39 2pn5 s ARG 815 Ca 0.26 -0.14 -0.05 0.00 -0.52 0.00 0.00 55.73 55.29 2pn5 s ARG 815 Cb -0.16 -0.59 -0.02 0.00 0.52 0.00 0.00 34.95 34.70 2pn5 s ARG 815 CO 0.15 0.02 -0.01 -1.17 0.02 0.00 0.00 175.30 174.31 2pn5 s LEU 816 N 0.38 3.20 -0.07 2.53 2.96 -1.13 -0.76 118.68 125.79 2pn5 s LEU 816 Ca -0.04 -0.22 0.02 0.00 -0.22 0.00 0.00 54.13 53.67 2pn5 s LEU 816 Cb -0.08 -1.81 0.02 0.00 0.50 0.00 0.00 46.19 44.82 2pn5 s LEU 816 CO -0.00 0.07 -0.11 0.20 -1.32 0.00 0.00 176.35 175.19 2pn5 s ASN 817 N 0.98 1.72 0.21 3.68 0.01 -0.72 -3.96 114.94 116.86 2pn5 s ASN 817 Ca 0.01 -0.28 0.26 0.00 -0.71 0.00 0.00 52.86 52.14 2pn5 s ASN 817 Cb -0.14 -0.78 0.87 0.00 0.41 0.00 0.00 41.25 41.60 2pn5 s ASN 817 CO 0.01 0.01 1.77 -0.81 -1.51 0.00 0.00 177.10 176.57 2pn5 n PRO 818 N 3.96 0.23 -3.76 -0.60 -0.04 -1.26 -0.18 135.00 133.35 2pn5 n PRO 818 Ca -0.22 0.25 -0.13 0.00 -0.04 0.00 0.00 63.50 63.36 2pn5 n PRO 818 Cb 0.51 -1.80 -0.09 0.00 -0.04 0.00 0.00 33.50 32.08 2pn5 n PRO 818 CO 0.00 0.00 0.00 1.21 -0.04 0.00 0.00 175.50 176.67 2pn5 s ASN 819 N -4.36 -0.20 0.55 3.54 3.84 -1.26 -4.51 114.94 112.54 2pn5 s ASN 819 Ca 0.09 0.15 0.28 0.00 0.21 0.00 0.00 52.86 53.58 2pn5 s ASN 819 Cb 0.12 0.35 1.62 0.00 -0.55 0.00 0.00 41.25 42.79 2pn5 s ASN 819 CO 0.54 -0.41 2.17 -0.07 -2.79 0.00 0.00 177.10 176.54 2pn5 h LEU 820 N 4.07 0.00 -0.69 3.21 3.38 -1.99 -2.98 115.31 120.32 2pn5 h LEU 820 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2pn5 h LEU 820 Cb 1.18 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.93 2pn5 h LEU 820 CO 0.39 0.06 -0.47 0.18 0.09 0.00 0.00 178.44 178.68 2pn5 n LEU 821 N -3.81 1.54 0.37 1.67 4.77 -1.26 -4.37 117.00 115.91 2pn5 n LEU 821 Ca -0.02 -0.54 -0.18 0.00 -0.03 0.00 0.00 56.01 55.23 2pn5 n LEU 821 Cb 0.15 -0.05 -0.09 0.00 -2.33 0.00 0.00 43.42 41.10 2pn5 n LEU 821 CO 0.29 0.30 0.64 0.00 -1.33 0.00 0.00 177.39 177.28 2pn5 h THR 822 N 1.68 0.32 -0.13 -5.08 1.03 -1.78 0.37 112.91 109.31 2pn5 h THR 822 Ca 0.00 -0.02 -0.06 0.00 -0.01 0.00 0.00 66.41 66.31 2pn5 h THR 822 Cb 0.64 0.33 -0.01 0.00 -1.07 0.00 0.00 68.15 68.04 2pn5 h THR 822 CO 0.00 0.00 -0.20 0.71 -0.01 0.00 0.00 175.52 176.02 2pn5 h THR 823 N -0.93 1.21 0.37 0.00 1.35 -1.81 -1.48 112.91 111.62 2pn5 h THR 823 Ca -0.09 -0.96 -0.02 0.00 -0.55 0.00 0.00 66.41 64.79 2pn5 h THR 823 Cb 0.71 1.33 0.00 0.00 -1.73 0.00 0.00 68.15 68.46 2pn5 h THR 823 CO 0.15 0.29 -0.18 0.58 -0.25 0.00 0.00 175.52 176.12 2pn5 h VAL 824 N 0.21 0.64 -0.84 6.82 2.07 -1.26 -0.62 116.25 123.28 2pn5 h VAL 824 Ca 0.04 -0.28 0.07 0.00 0.82 0.00 0.00 66.70 67.34 2pn5 h VAL 824 Cb 0.48 0.78 -0.06 0.00 -1.52 0.00 0.00 31.29 30.97 2pn5 h VAL 824 CO 0.03 0.05 0.51 0.40 0.02 0.00 0.00 177.57 178.59 2pn5 h ILE 825 N -0.66 1.02 -0.44 4.57 2.04 -0.18 0.87 117.51 124.73 2pn5 h ILE 825 Ca -0.05 -0.32 0.02 0.00 1.00 0.00 0.00 64.86 65.51 2pn5 h ILE 825 Cb 0.48 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.54 2pn5 h ILE 825 CO 0.08 0.17 0.29 0.50 0.00 0.00 0.00 178.15 179.20 2pn5 h LYS 826 N 0.93 0.50 -0.39 2.37 3.64 -1.08 -2.87 116.57 119.68 2pn5 h LYS 826 Ca 0.37 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.62 2pn5 h LYS 826 Cb 0.19 -0.11 -0.06 0.00 -0.41 0.00 0.00 32.23 31.84 2pn5 h LYS 826 CO -0.18 0.33 0.04 0.09 -2.27 0.00 0.00 179.45 177.46 2pn5 n ASN 827 N -4.48 3.72 0.22 4.20 3.02 0.15 -4.80 115.26 117.29 2pn5 n ASN 827 Ca 0.04 -3.26 0.17 0.00 -0.03 0.00 0.00 54.58 51.50 2pn5 n ASN 827 Cb 0.12 -0.61 0.85 0.00 -0.61 0.00 0.00 39.78 39.53 2pn5 n ASN 827 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2pn5 h LEU 828 N 1.76 0.00 0.00 3.41 3.38 -0.89 -0.72 115.31 122.25 2pn5 h LEU 828 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2pn5 h LEU 828 Cb 1.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.45 2pn5 h LEU 828 CO 0.38 0.00 -0.85 -0.90 0.09 0.00 0.00 178.44 177.16 2pn5 n ASP 829 N -3.78 0.63 -3.02 -0.43 3.85 -1.26 -4.57 116.55 107.96 2pn5 n ASP 829 Ca 0.01 -0.24 -0.18 0.00 -0.71 0.00 0.00 54.79 53.67 2pn5 n ASP 829 Cb 0.28 0.60 -0.02 0.00 -1.35 0.00 0.00 41.12 40.63 2pn5 n ASP 829 CO 0.00 0.00 0.00 1.57 -1.01 0.00 0.00 177.20 177.76 2pn5 n HIS 830 N -1.84 -1.58 0.09 2.11 -0.00 -0.30 -4.99 115.22 108.70 2pn5 n HIS 830 Ca 0.03 -2.83 -0.14 0.00 0.46 0.00 0.00 57.72 55.24 2pn5 n HIS 830 Cb 0.41 0.43 -0.08 0.00 -0.12 0.00 0.00 29.99 30.62 2pn5 n HIS 830 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 2pn5 h LEU 831 N 4.08 0.45 -9.70 0.27 3.38 -1.75 -3.47 115.31 108.57 2pn5 h LEU 831 Ca -0.01 -0.42 -0.57 0.00 0.09 0.00 0.00 57.88 56.98 2pn5 h LEU 831 Cb 0.94 -0.14 -0.08 0.00 0.09 0.00 0.00 40.66 41.47 2pn5 h LEU 831 CO 0.40 1.26 -0.59 -0.76 0.09 0.00 0.00 178.44 178.84 2pn5 s LEU 832 N -7.43 3.60 -0.31 1.67 1.43 -1.26 -4.63 118.68 111.75 2pn5 s LEU 832 Ca -0.05 -0.28 0.11 0.00 -1.03 0.00 0.00 54.13 52.88 2pn5 s LEU 832 Cb 0.08 -2.20 0.73 0.00 0.03 0.00 0.00 46.19 44.83 2pn5 s LEU 832 CO 0.87 0.05 1.77 0.61 0.23 0.00 0.00 176.35 179.88 2pn5 n GLY 833 N -0.50 3.72 3.02 -3.19 0.00 -1.26 -4.92 105.19 102.05 2pn5 n GLY 833 Ca -0.08 -1.01 -0.17 0.00 0.00 0.00 0.00 46.02 44.75 2pn5 n GLY 833 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pn5 s VAL 834 N -2.99 0.63 0.84 1.61 0.11 -1.26 -5.14 120.40 114.19 2pn5 s VAL 834 Ca 0.54 -0.50 -0.13 0.00 -2.93 0.00 0.00 61.98 58.96 2pn5 s VAL 834 Cb 0.43 -0.56 0.08 0.00 -1.53 0.00 0.00 36.38 34.80 2pn5 s VAL 834 CO 0.13 0.06 1.06 -2.65 -3.33 0.00 0.00 175.10 170.38 2pn5 n PRO 835 N 2.58 0.03 -2.72 1.54 -0.02 -1.26 -4.98 135.00 130.16 2pn5 n PRO 835 Ca -0.15 0.08 -0.06 0.00 -2.02 0.00 0.00 63.50 61.35 2pn5 n PRO 835 Cb 0.57 -2.32 0.04 0.00 -0.02 0.00 0.00 33.50 31.76 2pn5 n PRO 835 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 2pn5 n THR 836 N -3.43 1.04 0.41 3.45 -2.24 -1.26 -4.95 114.28 107.29 2pn5 n THR 836 Ca 0.12 -2.93 0.04 0.00 -2.27 0.00 0.00 64.05 59.01 2pn5 n THR 836 Cb 0.51 0.90 0.17 0.00 -2.10 0.00 0.00 70.33 69.80 2pn5 n THR 836 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pn5 n GLY 837 N -0.28 1.67 3.62 3.38 0.00 -1.26 -3.52 105.19 108.80 2pn5 n GLY 837 Ca 0.08 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.47 2pn5 n GLY 837 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pn5 h GLY 839 N 2.18 1.01 0.58 0.00 0.00 -0.50 0.20 103.07 106.55 2pn5 h GLY 839 Ca -0.45 0.11 -0.03 0.00 0.00 0.00 0.00 47.33 46.97 2pn5 h GLY 839 CO 0.59 -0.36 -0.09 -2.09 0.00 0.00 0.00 176.54 174.59 2pn5 h GLU 840 N 0.09 0.16 -0.30 4.80 4.22 -1.84 -3.23 114.58 118.48 2pn5 h GLU 840 Ca 0.48 -0.10 -0.03 0.00 0.08 0.00 0.00 59.36 59.80 2pn5 h GLU 840 Cb 0.91 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.15 2pn5 h GLU 840 CO -0.75 0.66 0.07 1.96 -2.18 0.00 0.00 179.01 178.77 2pn5 h GLN 841 N -0.32 0.43 0.00 1.92 7.50 -1.48 -2.27 115.11 120.89 2pn5 h GLN 841 Ca 0.00 -0.06 0.00 0.00 0.50 0.00 0.00 58.65 59.09 2pn5 h GLN 841 Cb 0.64 -0.08 0.00 0.00 0.05 0.00 0.00 27.48 28.10 2pn5 h GLN 841 CO 0.02 0.40 0.00 -1.71 -1.50 0.00 0.00 178.83 176.04 2pn5 n ASN 842 N -4.37 0.34 0.00 1.46 2.85 0.59 -1.70 115.26 114.42 2pn5 n ASN 842 Ca 0.01 0.62 0.08 0.00 -0.11 0.00 0.00 54.58 55.18 2pn5 n ASN 842 Cb 0.17 -0.68 0.38 0.00 1.24 0.00 0.00 39.78 40.89 2pn5 n ASN 842 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 2pn5 n MET 843 N -1.92 0.17 0.33 1.20 2.81 -0.86 -2.53 117.12 116.32 2pn5 n MET 843 Ca 0.01 0.16 0.22 0.00 -1.81 0.00 0.00 57.70 56.28 2pn5 n MET 843 Cb 0.09 -1.50 1.12 0.00 -0.71 0.00 0.00 33.22 32.22 2pn5 n MET 843 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 2pn5 h VAL 844 N 0.00 0.02 -0.44 2.03 -1.51 -1.56 0.75 116.25 115.53 2pn5 h VAL 844 Ca 0.00 -0.10 0.00 0.00 -1.23 0.00 0.00 66.70 65.37 2pn5 h VAL 844 Cb 0.18 1.10 0.00 0.00 -2.13 0.00 0.00 31.29 30.43 2pn5 h VAL 844 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 177.57 176.63 2pn5 n LYS 845 N -3.10 2.22 0.04 5.19 5.02 -1.05 -4.40 118.16 122.07 2pn5 n LYS 845 Ca -0.02 -1.87 0.00 0.00 -2.02 0.00 0.00 58.31 54.40 2pn5 n LYS 845 Cb 0.12 -1.44 0.00 0.00 -0.02 0.00 0.00 35.03 33.69 2pn5 n LYS 845 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 2pn5 n PHE 846 N 1.04 -0.68 -0.01 2.13 7.35 -0.60 -4.08 117.46 122.61 2pn5 n PHE 846 Ca 0.18 0.12 -0.09 0.00 -0.76 0.00 0.00 57.45 56.90 2pn5 n PHE 846 Cb 0.47 0.38 -0.04 0.00 0.35 0.00 0.00 39.48 40.64 2pn5 n PHE 846 CO 0.00 0.00 0.00 0.28 -0.76 0.00 0.00 176.76 176.28 2pn5 h VAL 847 N 0.00 0.81 -0.65 -2.13 2.07 -1.15 -2.11 116.25 113.09 2pn5 h VAL 847 Ca 0.00 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.69 2pn5 h VAL 847 Cb 0.00 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 2pn5 h VAL 847 CO 0.00 0.00 0.46 -0.65 0.02 0.00 0.00 177.57 177.40 2pn5 h PRO 848 N -0.03 0.13 -0.29 1.57 0.11 -1.77 0.68 132.00 132.40 2pn5 h PRO 848 Ca 0.07 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 66.05 2pn5 h PRO 848 Cb 0.14 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.21 2pn5 h PRO 848 CO -0.16 0.09 -0.35 -0.91 -0.21 0.00 0.00 178.00 176.46 2pn5 h ASN 849 N 0.14 0.67 -0.05 -2.05 2.35 -1.69 -1.24 115.58 113.71 2pn5 h ASN 849 Ca 0.32 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.78 2pn5 h ASN 849 Cb 1.06 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 39.24 2pn5 h ASN 849 CO -0.04 0.96 0.00 0.40 -1.65 0.00 0.00 177.43 177.10 2pn5 h ILE 850 N 0.54 1.24 -0.03 2.81 2.04 -0.75 -1.22 117.51 122.13 2pn5 h ILE 850 Ca 0.06 -0.72 0.04 0.00 1.00 0.00 0.00 64.86 65.23 2pn5 h ILE 850 Cb 0.85 1.63 -0.05 0.00 -0.74 0.00 0.00 36.82 38.50 2pn5 h ILE 850 CO 0.07 0.20 -0.35 -0.07 0.00 0.00 0.00 178.15 178.00 2pn5 h LEU 851 N -0.19 -1.07 -0.12 1.44 4.07 -1.10 0.16 115.31 118.50 2pn5 h LEU 851 Ca 0.01 0.14 0.03 0.00 0.08 0.00 0.00 57.88 58.15 2pn5 h LEU 851 Cb 0.31 0.43 -0.06 0.00 1.08 0.00 0.00 40.66 42.42 2pn5 h LEU 851 CO 0.00 -0.40 -0.52 0.58 -1.08 0.00 0.00 178.44 177.01 2pn5 h VAL 852 N -0.49 0.02 -0.32 1.22 2.07 -1.21 0.09 116.25 117.63 2pn5 h VAL 852 Ca 0.06 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.60 2pn5 h VAL 852 Cb 0.59 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 2pn5 h VAL 852 CO -0.30 0.00 0.18 -0.07 0.02 0.00 0.00 177.57 177.40 2pn5 h LEU 853 N -0.58 0.29 -0.09 2.57 3.38 -0.71 -0.41 115.31 119.76 2pn5 h LEU 853 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2pn5 h LEU 853 Cb 0.68 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2pn5 h LEU 853 CO -0.42 0.22 0.00 -0.90 0.09 0.00 0.00 178.44 177.42 2pn5 n ASP 854 N -4.91 0.52 -0.06 -0.43 5.68 0.53 -1.31 116.55 116.55 2pn5 n ASP 854 Ca -0.01 0.56 -0.13 0.00 -0.50 0.00 0.00 54.79 54.72 2pn5 n ASP 854 Cb 0.05 -0.70 -0.12 0.00 -1.14 0.00 0.00 41.12 39.22 2pn5 n ASP 854 CO 0.00 0.00 0.00 0.22 -1.33 0.00 0.00 177.20 176.09 2pn5 h TYR 855 N 0.00 -0.00 0.00 2.11 3.20 -0.35 -3.10 116.97 118.82 2pn5 h TYR 855 Ca 0.00 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2pn5 h TYR 855 Cb 0.59 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.86 2pn5 h TYR 855 CO 0.00 0.91 0.00 1.47 -1.64 0.00 0.00 178.16 178.90 2pn5 n LEU 856 N -4.64 0.00 -0.01 2.82 -0.00 -0.22 -1.59 117.00 113.36 2pn5 n LEU 856 Ca -0.09 0.28 -0.20 0.00 -0.00 0.00 0.00 56.01 56.00 2pn5 n LEU 856 Cb 0.44 -0.28 -0.14 0.00 -0.00 0.00 0.00 43.42 43.44 2pn5 n LEU 856 CO 0.32 -0.09 -0.15 -0.74 -0.00 0.00 0.00 177.39 176.73 2pn5 h HIS 857 N 0.00 0.32 -0.40 1.47 2.76 -1.33 0.13 115.15 118.10 2pn5 h HIS 857 Ca 0.00 -0.23 0.04 0.00 -2.20 0.00 0.00 60.37 57.98 2pn5 h HIS 857 Cb 0.19 -0.01 -0.02 0.00 1.55 0.00 0.00 27.41 29.12 2pn5 h HIS 857 CO 0.00 1.37 0.27 0.00 -1.30 0.00 0.00 177.93 178.26 2pn5 h ALA 858 N -0.07 1.90 -0.02 5.26 0.00 -1.29 0.20 119.26 125.25 2pn5 h ALA 858 Ca -0.21 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2pn5 h ALA 858 Cb 1.51 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.20 2pn5 h ALA 858 CO 0.03 0.04 -0.07 0.44 0.00 0.00 0.00 179.25 179.69 2pn5 n ILE 859 N -4.48 0.00 -3.43 0.00 -5.35 -0.62 -4.97 119.36 100.51 2pn5 n ILE 859 Ca 0.04 -0.26 -0.24 0.00 -0.27 0.00 0.00 62.75 62.02 2pn5 n ILE 859 Cb 0.19 0.64 0.05 0.00 -1.74 0.00 0.00 39.64 38.78 2pn5 n ILE 859 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pn5 n GLY 860 N 1.24 -0.53 3.75 3.28 0.00 0.71 -4.94 105.19 108.70 2pn5 n GLY 860 Ca 0.17 0.19 -0.38 0.00 0.00 0.00 0.00 46.02 46.00 2pn5 n GLY 860 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pn5 s SER 861 N -3.06 5.20 0.00 1.61 0.15 0.44 -4.95 113.70 113.09 2pn5 s SER 861 Ca 0.49 2.72 0.08 0.00 0.70 0.00 0.00 55.95 59.94 2pn5 s SER 861 Cb -0.22 -2.63 0.19 0.00 -1.71 0.00 0.00 66.02 61.64 2pn5 s SER 861 CO 0.60 -1.62 1.08 1.17 1.20 0.00 0.00 173.24 175.68 2pn5 n LYS 862 N -1.15 2.18 -2.24 5.44 3.00 -1.26 -4.90 118.16 119.23 2pn5 n LYS 862 Ca 0.11 -1.68 -0.33 0.00 -0.00 0.00 0.00 58.31 56.42 2pn5 n LYS 862 Cb 0.46 -1.19 -0.04 0.00 0.00 0.00 0.00 35.03 34.25 2pn5 n LYS 862 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 2pn5 s GLU 863 N -0.92 2.97 0.20 1.64 2.02 -1.26 -4.82 118.70 118.53 2pn5 s GLU 863 Ca 0.16 -1.06 -0.10 0.00 0.02 0.00 0.00 54.97 53.99 2pn5 s GLU 863 Cb 0.09 -5.26 0.22 0.00 0.10 0.00 0.00 34.13 29.27 2pn5 s GLU 863 CO 0.12 -3.20 1.80 0.37 0.02 0.00 0.00 175.26 174.37 2pn5 h GLN 864 N 9.80 0.61 -0.84 1.61 5.75 -2.01 -2.04 115.11 127.99 2pn5 h GLN 864 Ca 0.22 -0.04 0.20 0.00 -0.15 0.00 0.00 58.65 58.88 2pn5 h GLN 864 Cb 0.96 -0.14 -0.12 0.00 1.07 0.00 0.00 27.48 29.25 2pn5 h GLN 864 CO 1.30 0.41 0.32 1.25 -2.65 0.00 0.00 178.83 179.45 2pn5 h HIS 865 N 0.63 0.52 -0.14 3.99 2.76 -2.00 -1.27 115.15 119.64 2pn5 h HIS 865 Ca 0.28 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.47 2pn5 h HIS 865 Cb 0.18 -0.10 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 2pn5 h HIS 865 CO -0.09 -0.05 -0.00 -0.07 -1.30 0.00 0.00 177.93 176.42 2pn5 h LEU 866 N 0.36 0.25 -0.45 0.26 3.38 -1.78 -2.23 115.31 115.11 2pn5 h LEU 866 Ca 0.51 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 2pn5 h LEU 866 Cb 0.93 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 2pn5 h LEU 866 CO -0.52 0.51 0.27 0.40 0.09 0.00 0.00 178.44 179.19 2pn5 h ILE 867 N -0.01 1.14 -0.63 1.22 2.04 -1.36 -2.45 117.51 117.46 2pn5 h ILE 867 Ca 0.04 -0.32 0.08 0.00 1.00 0.00 0.00 64.86 65.66 2pn5 h ILE 867 Cb 0.38 0.54 -0.07 0.00 -0.74 0.00 0.00 36.82 36.93 2pn5 h ILE 867 CO 0.01 0.14 0.28 0.44 0.00 0.00 0.00 178.15 179.02 2pn5 h ASP 868 N 0.60 0.34 0.43 1.72 5.19 -1.21 -0.52 116.42 122.97 2pn5 h ASP 868 Ca 0.16 0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.61 2pn5 h ASP 868 Cb -0.01 0.01 0.00 0.00 0.18 0.00 0.00 39.33 39.52 2pn5 h ASP 868 CO -0.03 0.21 -0.20 0.50 -3.12 0.00 0.00 179.24 176.59 2pn5 h LYS 869 N 0.50 -0.55 -0.74 3.56 3.64 -1.00 -0.01 116.57 121.97 2pn5 h LYS 869 Ca 0.31 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.74 2pn5 h LYS 869 Cb 0.33 0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 32.24 2pn5 h LYS 869 CO -0.26 -0.32 0.49 0.00 -2.27 0.00 0.00 179.45 177.09 2pn5 h ALA 870 N -0.13 1.50 0.09 5.00 0.00 -1.35 -2.15 119.26 122.21 2pn5 h ALA 870 Ca -0.06 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 2pn5 h ALA 870 Cb 0.49 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.99 2pn5 h ALA 870 CO 0.10 0.45 -0.04 1.15 0.00 0.00 0.00 179.25 180.91 2pn5 h THR 871 N 0.98 0.96 -0.51 0.00 2.02 -0.78 -1.64 112.91 113.95 2pn5 h THR 871 Ca 0.28 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.27 2pn5 h THR 871 Cb -0.07 1.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.40 2pn5 h THR 871 CO -0.07 0.05 0.27 -1.13 0.37 0.00 0.00 175.52 175.01 2pn5 h ASN 872 N -0.20 0.64 0.34 4.18 -0.73 -0.71 -2.22 115.58 116.88 2pn5 h ASN 872 Ca -0.01 -0.10 -0.12 0.00 1.87 0.00 0.00 56.30 57.94 2pn5 h ASN 872 Cb 0.17 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.58 2pn5 h ASN 872 CO 0.02 0.55 -0.50 -0.07 -0.37 0.00 0.00 177.43 177.06 2pn5 h LEU 873 N 0.67 0.20 -0.48 0.34 3.38 -1.41 -2.10 115.31 115.91 2pn5 h LEU 873 Ca 0.18 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2pn5 h LEU 873 Cb 0.06 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2pn5 h LEU 873 CO -0.03 0.67 0.31 0.25 0.09 0.00 0.00 178.44 179.73 2pn5 h LEU 874 N 0.15 0.57 0.25 1.67 5.85 -0.99 0.19 115.31 123.00 2pn5 h LEU 874 Ca 0.00 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.70 2pn5 h LEU 874 Cb 0.94 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.80 2pn5 h LEU 874 CO 0.07 0.43 -0.31 -0.09 -0.34 0.00 0.00 178.44 178.21 2pn5 h ARG 875 N 0.65 -0.59 -0.87 1.25 2.43 -0.99 -0.64 114.38 115.63 2pn5 h ARG 875 Ca 0.18 0.04 0.16 0.00 -0.81 0.00 0.00 59.98 59.55 2pn5 h ARG 875 Cb -0.04 0.13 -0.07 0.00 -0.42 0.00 0.00 29.97 29.57 2pn5 h ARG 875 CO -0.04 -0.39 0.56 1.96 -1.51 0.00 0.00 179.97 180.56 2pn5 h GLN 876 N -0.61 0.54 -0.12 0.20 4.20 -1.15 -1.76 115.11 116.40 2pn5 h GLN 876 Ca -0.00 -0.03 -0.12 0.00 0.06 0.00 0.00 58.65 58.55 2pn5 h GLN 876 Cb 0.58 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.23 2pn5 h GLN 876 CO -0.10 0.36 -0.47 0.78 -0.67 0.00 0.00 178.83 178.73 2pn5 h GLY 877 N 0.56 0.33 0.96 3.46 0.00 -0.02 -2.44 103.07 105.91 2pn5 h GLY 877 Ca 0.44 -0.34 -0.03 0.00 0.00 0.00 0.00 47.33 47.40 2pn5 h GLY 877 CO -0.19 0.31 -0.28 -1.82 0.00 0.00 0.00 176.54 174.57 2pn5 h TYR 878 N 0.24 -0.71 -0.86 5.60 3.20 -0.22 0.10 116.97 124.32 2pn5 h TYR 878 Ca 0.02 -0.02 0.22 0.00 3.14 0.00 0.00 58.73 62.09 2pn5 h TYR 878 Cb 0.92 0.24 -0.13 0.00 1.54 0.00 0.00 36.73 39.29 2pn5 h TYR 878 CO 0.02 -0.42 0.29 0.37 -1.64 0.00 0.00 178.16 176.78 2pn5 h GLN 879 N -0.82 0.29 -0.27 1.82 4.15 -1.52 -1.59 115.11 117.17 2pn5 h GLN 879 Ca -0.08 -0.02 -0.18 0.00 0.77 0.00 0.00 58.65 59.14 2pn5 h GLN 879 Cb 0.61 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.24 2pn5 h GLN 879 CO 0.13 0.19 -0.56 -0.97 -1.93 0.00 0.00 178.83 175.69 2pn5 h ASN 880 N 0.30 0.92 0.15 -0.69 -0.73 -1.07 -3.11 115.58 111.35 2pn5 h ASN 880 Ca 0.54 -0.50 -0.09 0.00 1.87 0.00 0.00 56.30 58.12 2pn5 h ASN 880 Cb 1.04 -0.26 -0.01 0.00 0.27 0.00 0.00 38.32 39.35 2pn5 h ASN 880 CO -0.58 1.29 -0.33 -0.61 -0.37 0.00 0.00 177.43 176.83 2pn5 h GLN 881 N 0.63 0.27 -0.16 6.67 5.75 0.16 -2.84 115.11 125.58 2pn5 h GLN 881 Ca 0.01 -0.11 0.05 0.00 -0.15 0.00 0.00 58.65 58.45 2pn5 h GLN 881 Cb 1.16 -0.01 -0.01 0.00 1.07 0.00 0.00 27.48 29.69 2pn5 h GLN 881 CO 0.12 0.57 0.29 0.52 -2.65 0.00 0.00 178.83 177.69 2pn5 h MET 882 N 0.23 0.00 -1.01 1.69 2.86 -1.34 -0.01 114.93 117.36 2pn5 h MET 882 Ca 0.03 0.00 0.27 0.00 -2.06 0.00 0.00 59.70 57.94 2pn5 h MET 882 Cb 0.70 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.29 2pn5 h MET 882 CO 0.05 0.00 0.69 -0.09 1.06 0.00 0.00 176.91 178.62 2pn5 h ARG 883 N 0.00 0.22 -0.02 1.72 2.43 -1.65 -1.67 114.38 115.42 2pn5 h ARG 883 Ca 0.08 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.23 2pn5 h ARG 883 Cb 0.67 -0.05 0.00 0.00 -0.42 0.00 0.00 29.97 30.17 2pn5 h ARG 883 CO -0.00 0.15 -0.15 0.66 -1.51 0.00 0.00 179.97 179.11 2pn5 n TYR 884 N -4.43 0.00 -2.04 2.20 4.02 -0.02 -4.46 117.16 112.44 2pn5 n TYR 884 Ca 0.23 0.00 -0.41 0.00 -0.01 0.00 0.00 57.90 57.71 2pn5 n TYR 884 Cb 0.94 -0.02 -0.02 0.00 -0.02 0.00 0.00 39.34 40.22 2pn5 n TYR 884 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 176.86 176.35 2pn5 s ARG 885 N -2.20 4.29 0.38 -0.72 3.52 -0.63 -1.50 118.95 122.09 2pn5 s ARG 885 Ca 0.28 2.29 0.08 0.00 -0.13 0.00 0.00 55.73 58.25 2pn5 s ARG 885 Cb 0.20 -3.06 -0.02 0.00 -1.56 0.00 0.00 34.95 30.50 2pn5 s ARG 885 CO 0.41 -0.30 0.33 -0.65 -0.81 0.00 0.00 175.30 174.28 2pn5 s GLN 886 N -1.47 2.61 0.27 5.12 -1.52 0.15 -4.92 119.66 119.89 2pn5 s GLN 886 Ca 0.52 -1.43 -0.00 0.00 -1.95 0.00 0.00 55.36 52.50 2pn5 s GLN 886 Cb -0.41 -2.41 0.56 0.00 -0.22 0.00 0.00 33.01 30.52 2pn5 s GLN 886 CO 0.52 -0.06 1.75 1.15 -0.25 0.00 0.00 175.29 178.41 2pn5 h THR 887 N 1.14 0.70 -0.62 -0.19 2.02 -1.94 -0.58 112.91 113.45 2pn5 h THR 887 Ca -0.43 -0.20 0.20 0.00 0.77 0.00 0.00 66.41 66.75 2pn5 h THR 887 Cb 1.26 0.05 -0.11 0.00 -1.74 0.00 0.00 68.15 67.61 2pn5 h THR 887 CO 0.58 0.11 0.12 0.47 0.37 0.00 0.00 175.52 177.17 2pn5 n ASP 888 N -4.89 0.03 0.00 4.18 10.43 -1.26 -4.78 116.55 120.26 2pn5 n ASP 888 Ca 0.18 1.04 0.00 0.00 2.57 0.00 0.00 54.79 58.57 2pn5 n ASP 888 Cb 0.46 -0.42 0.00 0.00 1.84 0.00 0.00 41.12 43.00 2pn5 n ASP 888 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 2pn5 n GLY 889 N -1.26 0.43 4.01 0.44 0.00 -0.22 -4.96 105.19 103.63 2pn5 n GLY 889 Ca 0.18 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 2pn5 n GLY 889 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2pn5 s SER 890 N -2.80 4.53 -0.06 1.61 1.04 -1.26 -3.52 113.70 113.25 2pn5 s SER 890 Ca 0.00 -0.53 0.05 0.00 0.48 0.00 0.00 55.95 55.95 2pn5 s SER 890 Cb 0.00 0.13 -0.01 0.00 0.10 0.00 0.00 66.02 66.23 2pn5 s SER 890 CO 0.00 -1.74 -0.23 -0.36 0.98 0.00 0.00 173.24 171.90 2pn5 s PHE 891 N -3.01 2.50 0.37 5.02 0.40 -1.26 0.29 117.98 122.29 2pn5 s PHE 891 Ca 0.65 -0.64 0.08 0.00 -0.60 0.00 0.00 56.93 56.43 2pn5 s PHE 891 Cb -0.05 -1.62 -0.07 0.00 0.51 0.00 0.00 43.02 41.79 2pn5 s PHE 891 CO 0.43 -0.16 -0.00 0.20 0.70 0.00 0.00 175.22 176.38 2pn5 s GLY 892 N -0.20 2.27 0.44 4.36 0.00 -0.56 -0.53 107.32 113.10 2pn5 s GLY 892 Ca -0.02 -2.13 0.12 0.00 0.00 0.00 0.00 44.72 42.69 2pn5 s GLY 892 CO 0.03 -2.01 2.02 -2.00 0.00 0.00 0.00 173.10 171.15 2pn5 h LEU 893 N 1.82 0.15 -9.19 0.66 5.85 -1.88 -3.38 115.31 109.33 2pn5 h LEU 893 Ca -0.43 -0.02 -0.54 0.00 0.84 0.00 0.00 57.88 57.73 2pn5 h LEU 893 Cb 1.25 -0.04 -0.14 0.00 0.37 0.00 0.00 40.66 42.10 2pn5 h LEU 893 CO 0.73 0.22 -0.70 0.26 -0.34 0.00 0.00 178.44 178.60 2pn5 s TRP 894 N -4.92 2.10 0.28 1.25 0.52 -1.26 0.12 118.94 117.04 2pn5 s TRP 894 Ca -0.05 -0.55 0.00 0.00 0.02 0.00 0.00 56.10 55.52 2pn5 s TRP 894 Cb 0.16 -1.10 0.67 0.00 -1.15 0.00 0.00 33.47 32.05 2pn5 s TRP 894 CO 0.71 0.47 1.63 1.49 0.02 0.00 0.00 176.95 181.26 2pn5 h GLU 895 N 2.26 0.14 -3.88 4.98 4.81 -1.87 -3.34 114.58 117.67 2pn5 h GLU 895 Ca -0.40 -0.01 -0.55 0.00 -0.13 0.00 0.00 59.36 58.27 2pn5 h GLU 895 Cb 1.24 -0.03 -0.39 0.00 0.63 0.00 0.00 28.75 30.20 2pn5 h GLU 895 CO 0.66 0.09 -0.77 0.99 -0.73 0.00 0.00 179.01 179.24 2pn5 s THR 896 N -5.98 0.94 0.04 0.32 2.01 -1.26 -4.69 115.64 107.02 2pn5 s THR 896 Ca -0.12 -0.81 -0.28 0.00 0.31 0.00 0.00 61.69 60.78 2pn5 s THR 896 Cb 0.26 -1.34 0.10 0.00 0.01 0.00 0.00 72.50 71.53 2pn5 s THR 896 CO 0.77 -0.15 1.11 0.28 -0.69 0.00 0.00 174.62 175.93 2pn5 s THR 897 N 1.67 0.00 0.30 -0.82 -1.32 -1.25 -5.09 115.64 109.13 2pn5 s THR 897 Ca -0.03 -0.37 -0.30 0.00 -1.21 0.00 0.00 61.69 59.78 2pn5 s THR 897 Cb -0.18 -1.83 -0.12 0.00 -1.51 0.00 0.00 72.50 68.87 2pn5 s THR 897 CO -0.07 0.00 1.56 0.59 -2.21 0.00 0.00 174.62 174.49 2pn5 n ASN 898 N -0.43 3.74 -4.70 8.08 5.03 -1.26 -4.73 115.26 121.00 2pn5 n ASN 898 Ca -0.07 1.16 -0.34 0.00 0.87 0.00 0.00 54.58 56.21 2pn5 n ASN 898 Cb 0.61 -1.58 0.13 0.00 -1.02 0.00 0.00 39.78 37.92 2pn5 n ASN 898 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 2pn5 s GLY 899 N 0.38 2.19 -0.07 7.41 0.00 -1.26 -4.57 107.32 111.39 2pn5 s GLY 899 Ca 0.63 0.87 0.03 0.00 0.00 0.00 0.00 44.72 46.24 2pn5 s GLY 899 CO 0.51 1.29 -0.15 -0.45 0.00 0.00 0.00 173.10 174.30 2pn5 s SER 900 N -2.11 3.89 0.16 1.64 0.15 0.31 -3.57 113.70 114.17 2pn5 s SER 900 Ca 0.74 -0.28 -0.06 0.00 0.70 0.00 0.00 55.95 57.05 2pn5 s SER 900 Cb -0.29 -1.07 0.03 0.00 -1.71 0.00 0.00 66.02 62.97 2pn5 s SER 900 CO 0.50 0.28 1.45 -0.37 1.20 0.00 0.00 173.24 176.30 2pn5 h VAL 901 N 4.76 1.31 0.26 4.45 -1.51 -1.87 0.25 116.25 123.90 2pn5 h VAL 901 Ca -0.38 -1.84 0.00 0.00 -1.23 0.00 0.00 66.70 63.25 2pn5 h VAL 901 Cb 1.17 1.79 -0.02 0.00 -2.13 0.00 0.00 31.29 32.10 2pn5 h VAL 901 CO 0.51 0.58 -0.26 0.15 -1.23 0.00 0.00 177.57 177.32 2pn5 h PHE 902 N 0.49 -0.70 -0.62 5.19 3.57 -1.92 0.57 116.94 123.51 2pn5 h PHE 902 Ca -0.00 0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.44 2pn5 h PHE 902 Cb 1.17 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 40.16 2pn5 h PHE 902 CO 0.06 -0.38 0.12 1.25 -2.23 0.00 0.00 178.31 177.12 2pn5 h LEU 903 N -0.56 0.96 -0.69 0.59 5.85 -1.82 0.15 115.31 119.80 2pn5 h LEU 903 Ca -0.01 -0.25 -0.07 0.00 0.84 0.00 0.00 57.88 58.39 2pn5 h LEU 903 Cb 0.52 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 2pn5 h LEU 903 CO -0.06 0.97 0.14 0.74 -0.34 0.00 0.00 178.44 179.89 2pn5 h THR 904 N 0.92 1.26 -0.36 1.05 2.02 -0.84 0.29 112.91 117.25 2pn5 h THR 904 Ca 0.19 -1.01 -0.04 0.00 0.77 0.00 0.00 66.41 66.32 2pn5 h THR 904 Cb 0.40 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.39 2pn5 h THR 904 CO 0.01 0.38 0.09 0.00 0.37 0.00 0.00 175.52 176.37 2pn5 h ALA 905 N 1.06 0.47 0.83 6.16 0.00 -0.58 -1.33 119.26 125.88 2pn5 h ALA 905 Ca 0.21 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 2pn5 h ALA 905 Cb 0.41 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.07 2pn5 h ALA 905 CO 0.01 0.14 -0.40 0.35 0.00 0.00 0.00 179.25 179.36 2pn5 h PHE 906 N 0.43 -1.03 0.45 0.00 3.57 -0.28 -2.72 116.94 117.36 2pn5 h PHE 906 Ca 0.11 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.57 2pn5 h PHE 906 Cb 0.30 0.34 0.00 0.00 2.79 0.00 0.00 35.95 39.39 2pn5 h PHE 906 CO 0.02 -0.63 -0.22 0.28 -2.23 0.00 0.00 178.31 175.53 2pn5 h VAL 907 N -1.14 0.50 -0.66 1.41 2.07 -0.52 -2.37 116.25 115.54 2pn5 h VAL 907 Ca -0.11 -0.37 0.14 0.00 0.82 0.00 0.00 66.70 67.18 2pn5 h VAL 907 Cb 0.86 0.66 -0.12 0.00 -1.52 0.00 0.00 31.29 31.17 2pn5 h VAL 907 CO 0.19 0.06 -0.05 1.23 0.02 0.00 0.00 177.57 179.02 2pn5 h GLY 908 N -0.84 0.65 1.33 2.17 0.00 -1.33 0.71 103.07 105.75 2pn5 h GLY 908 Ca -0.06 0.13 -0.23 0.00 0.00 0.00 0.00 47.33 47.17 2pn5 h GLY 908 CO 0.10 -0.24 -0.86 -0.91 0.00 0.00 0.00 176.54 174.63 2pn5 h THR 909 N 0.07 1.32 -0.74 4.70 1.35 -1.53 -2.62 112.91 115.46 2pn5 h THR 909 Ca 0.34 -2.15 -0.00 0.00 -0.55 0.00 0.00 66.41 64.05 2pn5 h THR 909 Cb 0.56 2.18 -0.04 0.00 -1.73 0.00 0.00 68.15 69.12 2pn5 h THR 909 CO -0.61 0.66 0.45 -1.28 -0.25 0.00 0.00 175.52 174.49 2pn5 h SER 910 N 0.40 0.89 -0.45 5.36 0.87 -0.75 -1.33 113.55 118.54 2pn5 h SER 910 Ca -0.07 -0.05 -0.14 0.00 -1.23 0.00 0.00 61.79 60.30 2pn5 h SER 910 Cb 1.49 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 63.21 2pn5 h SER 910 CO 0.17 0.68 -0.26 0.24 -0.53 0.00 0.00 176.83 177.13 2pn5 h MET 911 N 1.02 0.98 -0.12 2.24 2.86 -0.81 -2.24 114.93 118.87 2pn5 h MET 911 Ca 0.27 -0.44 0.01 0.00 -2.06 0.00 0.00 59.70 57.48 2pn5 h MET 911 Cb -0.04 -0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 2pn5 h MET 911 CO -0.05 1.11 0.03 0.37 1.06 0.00 0.00 176.91 179.43 2pn5 h GLN 912 N 0.83 0.08 -0.86 1.72 5.75 -1.04 -1.09 115.11 120.49 2pn5 h GLN 912 Ca 0.10 -0.00 0.16 0.00 -0.15 0.00 0.00 58.65 58.75 2pn5 h GLN 912 Cb 0.84 -0.02 -0.10 0.00 1.07 0.00 0.00 27.48 29.27 2pn5 h GLN 912 CO 0.07 0.05 0.44 1.15 -2.65 0.00 0.00 178.83 177.90 2pn5 h THR 913 N 0.08 0.69 0.00 2.39 2.02 -1.20 -2.26 112.91 114.63 2pn5 h THR 913 Ca 0.05 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.03 2pn5 h THR 913 Cb 0.03 0.04 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 2pn5 h THR 913 CO -0.06 0.11 0.00 0.00 0.37 0.00 0.00 175.52 175.94 2pn5 h ALA 914 N 1.59 1.00 0.00 6.16 0.00 -0.57 -2.81 119.26 124.62 2pn5 h ALA 914 Ca 0.48 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.39 2pn5 h ALA 914 Cb 0.73 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2pn5 h ALA 914 CO -0.39 0.00 -0.03 0.28 0.00 0.00 0.00 179.25 179.11 2pn5 h VAL 915 N 0.00 0.55 -0.79 0.00 2.07 -1.01 -1.47 116.25 115.61 2pn5 h VAL 915 Ca 0.00 -0.14 0.11 0.00 0.82 0.00 0.00 66.70 67.50 2pn5 h VAL 915 Cb 0.32 1.09 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 2pn5 h VAL 915 CO 0.00 0.03 0.52 0.11 0.02 0.00 0.00 177.57 178.25 2pn5 h LYS 916 N 0.00 0.63 0.00 1.57 1.57 -1.69 -3.35 116.57 115.29 2pn5 h LYS 916 Ca -0.00 -0.04 -0.19 0.00 -1.87 0.00 0.00 60.65 58.55 2pn5 h LYS 916 Cb 0.08 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.22 2pn5 h LYS 916 CO 0.00 0.41 -1.70 0.66 -0.57 0.00 0.00 179.45 178.25 2pn5 n TYR 917 N -4.51 0.00 -4.32 -1.35 4.01 -0.59 -5.00 117.16 105.41 2pn5 n TYR 917 Ca 0.14 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.66 2pn5 n TYR 917 Cb 0.39 -0.51 -0.13 0.00 -0.31 0.00 0.00 39.34 38.78 2pn5 n TYR 917 CO 0.00 0.00 0.00 0.96 -0.46 0.00 0.00 176.86 177.36 2pn5 s ILE 918 N -2.25 1.40 -2.21 -0.72 -4.36 -1.00 -5.04 121.20 107.02 2pn5 s ILE 918 Ca -0.05 -1.31 0.26 0.00 -0.26 0.00 0.00 60.65 59.28 2pn5 s ILE 918 Cb 0.03 -1.28 0.27 0.00 1.25 0.00 0.00 42.46 42.73 2pn5 s ILE 918 CO 0.42 -0.06 1.46 -1.54 0.24 0.00 0.00 174.94 175.46 2pn5 n SER 919 N 1.43 1.68 -0.03 4.36 3.41 -1.26 -4.38 113.62 118.83 2pn5 n SER 919 Ca -0.19 -1.36 0.14 0.00 -0.26 0.00 0.00 58.87 57.19 2pn5 n SER 919 Cb 0.54 0.15 0.64 0.00 -0.26 0.00 0.00 64.21 65.28 2pn5 n SER 919 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 2pn5 n ASP 920 N 0.02 0.16 -4.71 4.04 8.00 -1.26 -4.82 116.55 117.98 2pn5 n ASP 920 Ca 0.14 -0.06 -0.42 0.00 0.71 0.00 0.00 54.79 55.15 2pn5 n ASP 920 Cb 0.42 -0.25 -0.03 0.00 -0.02 0.00 0.00 41.12 41.24 2pn5 n ASP 920 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2pn5 s ILE 921 N -2.72 4.13 -0.62 0.53 1.01 -1.26 -4.77 121.20 117.50 2pn5 s ILE 921 Ca 0.23 1.52 -0.28 0.00 0.00 0.00 0.00 60.65 62.11 2pn5 s ILE 921 Cb 0.20 -3.97 0.03 0.00 0.01 0.00 0.00 42.46 38.72 2pn5 s ILE 921 CO 0.51 0.08 1.27 -0.62 0.00 0.00 0.00 174.94 176.18 2pn5 s ASP 922 N 1.20 6.29 0.22 3.58 -1.08 -1.26 -4.92 116.67 120.69 2pn5 s ASP 922 Ca 0.58 -0.00 -0.09 0.00 -0.52 0.00 0.00 52.55 52.51 2pn5 s ASP 922 Cb -0.28 -2.55 0.18 0.00 -1.46 0.00 0.00 42.92 38.81 2pn5 s ASP 922 CO 0.27 -1.64 1.89 0.00 0.52 0.00 0.00 175.17 176.21 2pn5 h ALA 923 N 10.06 1.02 -0.87 3.66 0.00 -1.96 -2.13 119.26 129.05 2pn5 h ALA 923 Ca -0.26 -0.05 0.01 0.00 0.00 0.00 0.00 54.91 54.60 2pn5 h ALA 923 Cb 1.06 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 18.49 2pn5 h ALA 923 CO 1.21 0.42 0.57 0.00 0.00 0.00 0.00 179.25 181.44 2pn5 h ALA 924 N 1.30 1.10 -0.73 0.00 0.00 -1.99 -0.64 119.26 118.29 2pn5 h ALA 924 Ca 0.30 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 2pn5 h ALA 924 Cb -0.11 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 17.29 2pn5 h ALA 924 CO -0.07 0.52 0.32 1.98 0.00 0.00 0.00 179.25 182.00 2pn5 h MET 925 N 1.18 1.08 0.06 0.00 -1.53 -1.83 -0.43 114.93 113.47 2pn5 h MET 925 Ca 0.32 -0.18 -0.00 0.00 -3.44 0.00 0.00 59.70 56.39 2pn5 h MET 925 Cb -0.12 -0.18 0.00 0.00 -0.55 0.00 0.00 31.60 30.75 2pn5 h MET 925 CO -0.07 0.87 -0.03 0.28 0.14 0.00 0.00 176.91 178.11 2pn5 h VAL 926 N 1.04 1.05 -0.66 -5.77 2.07 -0.87 -2.37 116.25 110.74 2pn5 h VAL 926 Ca 0.25 -0.35 0.13 0.00 0.82 0.00 0.00 66.70 67.54 2pn5 h VAL 926 Cb 0.18 1.28 -0.09 0.00 -1.52 0.00 0.00 31.29 31.13 2pn5 h VAL 926 CO -0.02 0.09 0.18 -0.33 0.02 0.00 0.00 177.57 177.50 2pn5 h GLU 927 N -0.23 0.30 -0.88 1.57 5.08 -0.84 -0.70 114.58 118.88 2pn5 h GLU 927 Ca -0.01 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 2pn5 h GLU 927 Cb 0.20 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.34 2pn5 h GLU 927 CO 0.01 0.20 0.57 -0.22 -1.00 0.00 0.00 179.01 178.58 2pn5 h LYS 928 N 0.31 1.10 -0.35 2.33 3.64 -0.95 0.47 116.57 123.12 2pn5 h LYS 928 Ca 0.35 -0.07 -0.05 0.00 -1.27 0.00 0.00 60.65 59.61 2pn5 h LYS 928 Cb 0.54 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 32.09 2pn5 h LYS 928 CO -0.41 0.73 0.02 0.00 -2.27 0.00 0.00 179.45 177.51 2pn5 h ALA 929 N 1.34 0.47 -0.11 5.00 0.00 -0.70 -1.69 119.26 123.58 2pn5 h ALA 929 Ca 0.34 -0.24 -0.15 0.00 0.00 0.00 0.00 54.91 54.86 2pn5 h ALA 929 Cb -0.06 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2pn5 h ALA 929 CO -0.10 0.22 -0.57 -0.07 0.00 0.00 0.00 179.25 178.73 2pn5 h LEU 930 N 0.43 0.38 -0.55 0.00 3.38 -0.86 -1.34 115.31 116.75 2pn5 h LEU 930 Ca 0.10 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 2pn5 h LEU 930 Cb 0.43 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.04 2pn5 h LEU 930 CO 0.02 0.87 0.32 0.44 0.09 0.00 0.00 178.44 180.18 2pn5 h ASP 931 N 0.26 0.67 -0.06 -0.43 3.32 -0.83 0.20 116.42 119.55 2pn5 h ASP 931 Ca -0.00 -0.07 0.02 0.00 0.02 0.00 0.00 57.03 56.99 2pn5 h ASP 931 Cb 1.08 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 2pn5 h ASP 931 CO 0.09 0.55 -0.03 -0.25 -1.72 0.00 0.00 179.24 177.88 2pn5 h TRP 932 N 0.74 -0.08 -0.30 4.55 7.01 -1.03 -0.78 115.95 126.06 2pn5 h TRP 932 Ca 0.20 0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.26 2pn5 h TRP 932 Cb 0.01 0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 27.06 2pn5 h TRP 932 CO -0.02 -0.06 -0.05 1.25 -2.79 0.00 0.00 178.44 176.77 2pn5 h LEU 933 N -0.03 -0.23 -1.48 0.65 5.85 -1.03 -2.66 115.31 116.38 2pn5 h LEU 933 Ca 0.04 0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.83 2pn5 h LEU 933 Cb 0.09 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2pn5 h LEU 933 CO -0.08 -0.08 0.20 0.00 -0.34 0.00 0.00 178.44 178.14 2pn5 h ALA 934 N 1.29 1.60 0.00 1.25 0.00 -0.13 -1.46 119.26 121.81 2pn5 h ALA 934 Ca 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2pn5 h ALA 934 Cb 0.22 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2pn5 h ALA 934 CO -0.29 0.33 0.00 0.66 0.00 0.00 0.00 179.25 179.95 2pn5 h SER 935 N 0.55 0.00 1.59 0.00 4.64 -0.80 -2.81 113.55 116.72 2pn5 h SER 935 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 2pn5 h SER 935 Cb 0.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.14 2pn5 h SER 935 CO -0.02 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.05 2pn5 h LYS 936 N 0.00 0.00 -6.99 4.77 1.79 -1.09 -3.46 116.57 111.59 2pn5 h LYS 936 Ca 0.00 0.00 -0.53 0.00 -2.18 0.00 0.00 60.65 57.94 2pn5 h LYS 936 Cb 0.54 0.00 0.09 0.00 -1.58 0.00 0.00 32.23 31.28 2pn5 h LYS 936 CO 0.00 0.00 0.57 -1.14 -1.08 0.00 0.00 179.45 177.80 2pn5 s GLN 937 N -3.15 3.68 0.49 3.15 0.74 -1.06 -4.73 119.66 118.77 2pn5 s GLN 937 Ca 0.09 2.05 -0.06 0.00 0.05 0.00 0.00 55.36 57.49 2pn5 s GLN 937 Cb 0.10 -2.51 -0.04 0.00 1.10 0.00 0.00 33.01 31.67 2pn5 s GLN 937 CO 0.61 -0.70 0.81 -1.01 -0.55 0.00 0.00 175.29 174.45 2pn5 s HIS 938 N -1.37 3.57 0.33 1.67 3.76 -0.66 -4.95 115.29 117.63 2pn5 s HIS 938 Ca 0.63 0.87 0.11 0.00 -0.15 0.00 0.00 55.06 56.52 2pn5 s HIS 938 Cb -0.35 -2.35 0.92 0.00 1.11 0.00 0.00 32.58 31.91 2pn5 s HIS 938 CO 0.44 -0.31 1.73 0.74 -0.85 0.00 0.00 174.74 176.49 2pn5 h PHE 939 N 0.22 0.98 0.00 1.40 0.04 -1.95 0.91 116.94 118.54 2pn5 h PHE 939 Ca -0.47 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.34 2pn5 h PHE 939 Cb 1.20 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 39.07 2pn5 h PHE 939 CO 0.59 0.05 0.00 0.66 -0.60 0.00 0.00 178.31 179.01 2pn5 h SER 940 N 0.55 0.00 0.00 2.17 4.64 -1.93 -3.46 113.55 115.52 2pn5 h SER 940 Ca 0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 2pn5 h SER 940 Cb 1.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.37 2pn5 h SER 940 CO -0.47 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.10 2pn5 n GLY 941 N 0.42 0.71 3.85 -0.77 0.00 0.31 -4.08 105.19 105.64 2pn5 n GLY 941 Ca 0.03 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2pn5 n GLY 941 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2pn5 s ARG 942 N -0.66 3.92 -0.15 1.61 3.52 -1.26 -4.08 118.95 121.86 2pn5 s ARG 942 Ca 0.00 0.41 -0.04 0.00 -0.13 0.00 0.00 55.73 55.97 2pn5 s ARG 942 Cb 0.00 -3.00 -0.03 0.00 -1.56 0.00 0.00 34.95 30.35 2pn5 s ARG 942 CO 0.00 0.54 -0.01 -0.06 -0.81 0.00 0.00 175.30 174.96 2pn5 s PHE 943 N -1.38 3.09 0.23 5.12 0.40 -1.26 -1.65 117.98 122.53 2pn5 s PHE 943 Ca 0.34 -0.12 0.07 0.00 -0.60 0.00 0.00 56.93 56.62 2pn5 s PHE 943 Cb -0.15 -1.94 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 2pn5 s PHE 943 CO 0.18 0.11 0.12 -0.51 0.70 0.00 0.00 175.22 175.82 2pn5 s ASP 944 N 0.10 5.24 0.94 1.36 1.01 -1.26 -4.39 116.67 119.66 2pn5 s ASP 944 Ca 0.01 -0.33 -0.11 0.00 0.71 0.00 0.00 52.55 52.83 2pn5 s ASP 944 Cb -0.13 -1.25 0.15 0.00 1.01 0.00 0.00 42.92 42.70 2pn5 s ASP 944 CO 0.02 0.00 1.10 -1.59 0.21 0.00 0.00 175.17 174.92 2pn5 s LYS 945 N -3.59 0.89 -0.07 8.23 0.00 -1.26 -4.80 119.74 119.14 2pn5 s LYS 945 Ca 0.32 1.20 -0.09 0.00 0.00 0.00 0.00 55.97 57.40 2pn5 s LYS 945 Cb -0.08 -1.74 0.02 0.00 0.00 0.00 0.00 37.83 36.03 2pn5 s LYS 945 CO 0.23 -2.60 0.23 0.00 0.00 0.00 0.00 175.35 173.21 2pn5 s ALA 946 N -2.71 -0.57 0.00 0.59 0.00 -1.26 -4.94 121.76 112.86 2pn5 s ALA 946 Ca 0.65 0.50 0.00 0.00 0.00 0.00 0.00 51.96 53.12 2pn5 s ALA 946 Cb -0.21 -0.26 0.00 0.00 0.00 0.00 0.00 23.12 22.65 2pn5 s ALA 946 CO 0.59 -0.15 0.00 0.41 0.00 0.00 0.00 175.76 176.61 2pn5 n GLY 947 N 2.51 -1.38 3.78 0.00 0.00 -1.23 -4.15 105.19 104.71 2pn5 n GLY 947 Ca -0.15 -1.28 -0.34 0.00 0.00 0.00 0.00 46.02 44.24 2pn5 n GLY 947 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2pn5 s ALA 948 N -1.14 2.67 -0.70 4.61 0.00 -1.26 -4.98 121.76 120.96 2pn5 s ALA 948 Ca 0.00 0.72 -0.21 0.00 0.00 0.00 0.00 51.96 52.48 2pn5 s ALA 948 Cb 0.00 -3.33 0.09 0.00 0.00 0.00 0.00 23.12 19.88 2pn5 s ALA 948 CO 0.00 -0.83 0.93 -2.00 0.00 0.00 0.00 175.76 173.86 2pn5 s GLU 949 N -3.49 3.20 -0.02 0.00 2.12 -1.26 -4.83 118.70 114.43 2pn5 s GLU 949 Ca 0.70 -1.19 0.20 0.00 0.36 0.00 0.00 54.97 55.04 2pn5 s GLU 949 Cb -0.22 -4.39 -0.28 0.00 0.26 0.00 0.00 34.13 29.51 2pn5 s GLU 949 CO 0.30 -1.73 0.57 2.48 -0.54 0.00 0.00 175.26 176.34 2pn5 n TYR 950 N 7.03 0.00 -3.52 5.30 4.11 -1.26 -4.50 117.16 124.32 2pn5 n TYR 950 Ca 0.01 0.00 -0.28 0.00 -0.00 0.00 0.00 57.90 57.62 2pn5 n TYR 950 Cb 0.45 -0.30 -0.11 0.00 -0.00 0.00 0.00 39.34 39.38 2pn5 n TYR 950 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 2pn5 s HIS 951 N -3.19 1.31 0.27 -3.48 5.04 -1.26 -0.70 115.29 113.27 2pn5 s HIS 951 Ca -0.02 -2.16 -0.01 0.00 -1.54 0.00 0.00 55.06 51.33 2pn5 s HIS 951 Cb 0.13 -1.23 0.59 0.00 0.04 0.00 0.00 32.58 32.11 2pn5 s HIS 951 CO 0.82 -0.80 1.68 0.87 -2.34 0.00 0.00 174.74 174.97 2pn5 h LYS 952 N 6.34 0.28 0.00 2.88 1.57 -1.90 -0.43 116.57 125.31 2pn5 h LYS 952 Ca 0.13 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 2pn5 h LYS 952 Cb 0.92 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.16 2pn5 h LYS 952 CO 0.38 0.18 -0.41 0.93 -0.57 0.00 0.00 179.45 179.96 2pn5 h GLU 953 N 0.29 0.00 0.03 3.15 4.39 -1.95 0.19 114.58 120.68 2pn5 h GLU 953 Ca 0.49 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.99 2pn5 h GLU 953 Cb 0.90 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.53 2pn5 h GLU 953 CO -0.56 0.41 -1.07 1.98 -1.16 0.00 0.00 179.01 178.62 2pn5 h MET 954 N 0.00 0.07 0.00 2.33 4.05 -1.76 -3.40 114.93 116.22 2pn5 h MET 954 Ca -0.00 -0.12 0.00 0.00 -0.28 0.00 0.00 59.70 59.29 2pn5 h MET 954 Cb 0.79 0.05 0.00 0.00 -0.80 0.00 0.00 31.60 31.63 2pn5 h MET 954 CO 0.05 1.06 -0.93 1.96 0.23 0.00 0.00 176.91 179.28 2pn5 h GLN 955 N -0.78 0.00 -6.96 0.39 4.20 -1.10 -3.21 115.11 107.64 2pn5 h GLN 955 Ca -0.27 0.00 -0.55 0.00 0.06 0.00 0.00 58.65 57.89 2pn5 h GLN 955 Cb 1.38 0.00 0.13 0.00 0.30 0.00 0.00 27.48 29.30 2pn5 h GLN 955 CO -0.09 0.00 0.60 0.41 -0.67 0.00 0.00 178.83 179.08 2pn5 n GLY 956 N 1.22 0.78 1.98 3.46 0.00 0.65 -4.21 105.19 109.07 2pn5 n GLY 956 Ca 0.01 0.12 -0.24 0.00 0.00 0.00 0.00 46.02 45.90 2pn5 n GLY 956 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pn5 n GLY 957 N 0.72 5.80 0.04 -0.02 0.00 -1.26 -4.48 105.19 105.98 2pn5 n GLY 957 Ca 0.08 -2.15 0.11 0.00 0.00 0.00 0.00 46.02 44.06 2pn5 n GLY 957 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pn5 n LEU 958 N -0.90 0.63 -2.57 0.99 4.77 -1.26 -4.30 117.00 114.36 2pn5 n LEU 958 Ca 0.50 0.04 -0.21 0.00 -0.03 0.00 0.00 56.01 56.30 2pn5 n LEU 958 Cb 0.91 -0.13 0.01 0.00 -2.33 0.00 0.00 43.42 41.88 2pn5 n LEU 958 CO 0.52 0.03 0.08 0.54 -1.33 0.00 0.00 177.39 177.24 2pn5 n ARG 959 N -1.96 2.67 -1.69 3.23 1.74 -1.26 -4.95 116.66 114.44 2pn5 n ARG 959 Ca 0.03 -4.11 -0.20 0.00 -0.77 0.00 0.00 57.85 52.79 2pn5 n ARG 959 Cb 0.43 -1.93 -0.07 0.00 -1.02 0.00 0.00 32.46 29.87 2pn5 n ARG 959 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2pn5 n ASN 960 N -0.33 -5.25 -1.31 0.55 3.02 -1.26 -2.98 115.26 107.70 2pn5 n ASN 960 Ca 0.29 0.42 -0.13 0.00 -0.03 0.00 0.00 54.58 55.13 2pn5 n ASN 960 Cb 0.70 -4.62 -0.03 0.00 -0.61 0.00 0.00 39.78 35.22 2pn5 n ASN 960 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2pn5 n GLY 961 N -0.46 0.53 0.23 7.41 0.00 -1.26 -4.91 105.19 106.74 2pn5 n GLY 961 Ca -0.20 -0.35 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 2pn5 n GLY 961 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2pn5 h VAL 962 N 0.00 1.29 0.42 1.61 2.07 -1.86 -2.19 116.25 117.58 2pn5 h VAL 962 Ca -0.30 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 2pn5 h VAL 962 Cb 1.08 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.23 2pn5 h VAL 962 CO 0.39 0.45 -0.27 0.00 0.02 0.00 0.00 177.57 178.17 2pn5 h ALA 963 N 0.78 -0.65 -0.47 1.67 0.00 -1.85 0.11 119.26 118.84 2pn5 h ALA 963 Ca 0.07 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2pn5 h ALA 963 Cb 0.79 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2pn5 h ALA 963 CO 0.06 -0.88 0.02 1.25 0.00 0.00 0.00 179.25 179.70 2pn5 h LEU 964 N -0.66 0.80 -0.28 0.00 5.85 -1.59 0.15 115.31 119.58 2pn5 h LEU 964 Ca -0.04 -0.30 0.01 0.00 0.84 0.00 0.00 57.88 58.39 2pn5 h LEU 964 Cb 0.54 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2pn5 h LEU 964 CO 0.04 0.90 0.17 0.74 -0.34 0.00 0.00 178.44 179.95 2pn5 h THR 965 N 0.67 1.06 -0.92 1.05 2.02 -1.33 -0.92 112.91 114.53 2pn5 h THR 965 Ca 0.14 -0.12 -0.00 0.00 0.77 0.00 0.00 66.41 67.19 2pn5 h THR 965 Cb 0.48 0.67 -0.04 0.00 -1.74 0.00 0.00 68.15 67.51 2pn5 h THR 965 CO 0.02 0.07 0.56 0.28 0.37 0.00 0.00 175.52 176.81 2pn5 h SER 966 N 0.36 1.10 0.10 4.18 0.02 -0.17 -1.99 113.55 117.15 2pn5 h SER 966 Ca 0.10 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2pn5 h SER 966 Cb -0.03 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.23 2pn5 h SER 966 CO -0.03 0.84 -0.05 0.22 -1.14 0.00 0.00 176.83 176.68 2pn5 h TYR 967 N 1.27 -0.12 -0.55 3.45 3.20 -0.28 0.33 116.97 124.27 2pn5 h TYR 967 Ca 0.33 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.28 2pn5 h TYR 967 Cb -0.06 0.04 -0.06 0.00 1.54 0.00 0.00 36.73 38.19 2pn5 h TYR 967 CO 0.00 0.11 0.20 0.28 -1.64 0.00 0.00 178.16 177.11 2pn5 h VAL 968 N -0.34 0.80 -0.04 1.81 2.07 -1.06 0.30 116.25 119.79 2pn5 h VAL 968 Ca -0.01 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 2pn5 h VAL 968 Cb 0.28 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 2pn5 h VAL 968 CO 0.02 0.07 0.02 -0.07 0.02 0.00 0.00 177.57 177.63 2pn5 h LEU 969 N 0.38 0.05 -0.39 2.57 3.38 -1.28 -1.74 115.31 118.27 2pn5 h LEU 969 Ca 0.27 -0.11 0.08 0.00 0.09 0.00 0.00 57.88 58.21 2pn5 h LEU 969 Cb 0.31 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 40.96 2pn5 h LEU 969 CO -0.27 0.15 -0.15 -0.03 0.09 0.00 0.00 178.44 178.22 2pn5 h MET 970 N -0.05 -0.07 -0.78 1.13 4.05 -0.25 0.20 114.93 119.16 2pn5 h MET 970 Ca 0.01 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.44 2pn5 h MET 970 Cb 0.11 0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.89 2pn5 h MET 970 CO -0.00 -0.04 0.49 0.00 0.23 0.00 0.00 176.91 177.58 2pn5 h ALA 971 N 1.26 0.99 -0.56 0.39 0.00 -0.24 -1.33 119.26 119.78 2pn5 h ALA 971 Ca 0.19 -0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.92 2pn5 h ALA 971 Cb 0.37 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2pn5 h ALA 971 CO -0.44 0.44 -0.08 -0.07 0.00 0.00 0.00 179.25 179.10 2pn5 h LEU 972 N 1.06 1.04 -1.35 0.00 3.38 -0.80 -3.15 115.31 115.49 2pn5 h LEU 972 Ca 0.28 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2pn5 h LEU 972 Cb -0.07 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.38 2pn5 h LEU 972 CO -0.06 1.13 0.06 -0.07 0.09 0.00 0.00 178.44 179.59 2pn5 h LEU 973 N 0.93 0.45 -1.98 1.67 3.38 0.07 -2.84 115.31 117.00 2pn5 h LEU 973 Ca 0.15 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.05 2pn5 h LEU 973 Cb 0.65 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2pn5 h LEU 973 CO 0.04 0.48 0.00 -0.33 0.09 0.00 0.00 178.44 178.72 2pn5 h GLU 974 N 0.48 0.00 -4.99 1.13 5.08 -1.22 -3.41 114.58 111.65 2pn5 h GLU 974 Ca 0.11 0.00 -0.67 0.00 -1.00 0.00 0.00 59.36 57.80 2pn5 h GLU 974 Cb 0.23 0.00 -0.35 0.00 0.50 0.00 0.00 28.75 29.12 2pn5 h GLU 974 CO 0.00 0.00 -0.83 1.21 -1.00 0.00 0.00 179.01 178.39 2pn5 s ASN 975 N -5.33 3.62 0.26 1.42 2.47 -1.08 -5.02 114.94 111.27 2pn5 s ASN 975 Ca -0.01 -0.89 -0.02 0.00 0.42 0.00 0.00 52.86 52.35 2pn5 s ASN 975 Cb 0.10 -1.51 0.52 0.00 -1.45 0.00 0.00 41.25 38.91 2pn5 s ASN 975 CO 0.47 -0.07 1.71 0.44 -3.72 0.00 0.00 177.10 175.94 2pn5 h ASP 976 N 7.89 0.24 -0.47 -4.21 3.32 -1.82 0.19 116.42 121.57 2pn5 h ASP 976 Ca -0.37 0.13 -0.05 0.00 0.02 0.00 0.00 57.03 56.75 2pn5 h ASP 976 Cb 1.11 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.76 2pn5 h ASP 976 CO 0.58 0.06 0.08 0.40 -1.72 0.00 0.00 179.24 178.64 2pn5 h ILE 977 N 0.41 1.25 -0.44 0.35 2.04 -1.95 -0.28 117.51 118.88 2pn5 h ILE 977 Ca 0.45 -0.91 -0.14 0.00 1.00 0.00 0.00 64.86 65.27 2pn5 h ILE 977 Cb 0.74 0.92 -0.01 0.00 -0.74 0.00 0.00 36.82 37.73 2pn5 h ILE 977 CO -0.45 0.32 -0.26 0.00 0.00 0.00 0.00 178.15 177.75 2pn5 h ALA 978 N 0.96 0.71 -0.14 1.87 0.00 -1.62 -1.81 119.26 119.23 2pn5 h ALA 978 Ca 0.14 -0.41 0.04 0.00 0.00 0.00 0.00 54.91 54.69 2pn5 h ALA 978 Cb 0.38 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.97 2pn5 h ALA 978 CO 0.01 0.67 -0.16 -0.22 0.00 0.00 0.00 179.25 179.54 2pn5 h LYS 979 N 0.79 -0.19 -0.77 0.00 3.64 -0.43 -0.96 116.57 118.65 2pn5 h LYS 979 Ca 0.09 0.01 -0.05 0.00 -1.27 0.00 0.00 60.65 59.43 2pn5 h LYS 979 Cb 0.83 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 32.66 2pn5 h LYS 979 CO 0.07 -0.13 0.27 0.00 -2.27 0.00 0.00 179.45 177.39 2pn5 h ALA 980 N 0.85 1.00 -0.00 5.00 0.00 -0.94 -2.99 119.26 122.18 2pn5 h ALA 980 Ca 0.10 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.79 2pn5 h ALA 980 Cb 0.35 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2pn5 h ALA 980 CO -0.26 0.66 -0.19 1.63 0.00 0.00 0.00 179.25 181.09 2pn5 n LYS 981 N -4.27 0.66 -2.74 0.00 5.02 -0.69 -3.96 118.16 112.19 2pn5 n LYS 981 Ca 0.06 -0.30 -0.12 0.00 -2.02 0.00 0.00 58.31 55.93 2pn5 n LYS 981 Cb 0.21 -1.49 0.02 0.00 -0.02 0.00 0.00 35.03 33.75 2pn5 n LYS 981 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2pn5 n HIS 982 N -0.91 1.19 -0.24 2.13 8.25 -0.39 -4.91 115.22 120.35 2pn5 n HIS 982 Ca 0.13 -2.99 -0.05 0.00 -0.26 0.00 0.00 57.72 54.54 2pn5 n HIS 982 Cb 0.31 -0.37 0.10 0.00 1.12 0.00 0.00 29.99 31.16 2pn5 n HIS 982 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2pn5 h ALA 983 N 2.97 1.09 -0.28 -1.41 0.00 -1.65 -2.91 119.26 117.08 2pn5 h ALA 983 Ca -0.04 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.72 2pn5 h ALA 983 Cb 1.12 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 2pn5 h ALA 983 CO 0.53 0.63 -0.00 1.49 0.00 0.00 0.00 179.25 181.90 2pn5 h GLU 984 N 1.06 0.08 -0.53 0.00 4.81 -1.91 -0.61 114.58 117.48 2pn5 h GLU 984 Ca 0.24 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.47 2pn5 h GLU 984 Cb 0.25 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 2pn5 h GLU 984 CO -0.01 0.05 0.35 0.28 -0.73 0.00 0.00 179.01 178.95 2pn5 h VAL 985 N 0.08 1.13 -0.06 0.32 2.07 -1.93 -1.31 116.25 116.55 2pn5 h VAL 985 Ca 0.13 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.40 2pn5 h VAL 985 Cb 0.17 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 2pn5 h VAL 985 CO -0.23 0.13 0.03 0.40 0.02 0.00 0.00 177.57 177.92 2pn5 h ILE 986 N 0.72 1.12 0.19 4.57 2.04 -1.31 0.13 117.51 124.97 2pn5 h ILE 986 Ca 0.20 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.72 2pn5 h ILE 986 Cb -0.08 1.23 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 2pn5 h ILE 986 CO -0.05 0.10 -0.48 -0.61 0.00 0.00 0.00 178.15 177.11 2pn5 h GLN 987 N -0.03 -0.74 -0.99 2.37 5.75 -0.93 0.49 115.11 121.03 2pn5 h GLN 987 Ca 0.02 0.05 0.04 0.00 -0.15 0.00 0.00 58.65 58.61 2pn5 h GLN 987 Cb 0.13 0.17 -0.06 0.00 1.07 0.00 0.00 27.48 28.79 2pn5 h GLN 987 CO -0.00 -0.49 0.65 0.87 -2.65 0.00 0.00 178.83 177.21 2pn5 h LYS 988 N -0.76 1.21 -0.15 1.69 1.57 -1.23 -1.32 116.57 117.58 2pn5 h LYS 988 Ca -0.01 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2pn5 h LYS 988 Cb 0.75 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.78 2pn5 h LYS 988 CO -0.23 0.80 0.07 0.78 -0.57 0.00 0.00 179.45 180.30 2pn5 h GLY 989 N 1.24 0.23 1.58 3.86 0.00 -0.05 -2.30 103.07 107.64 2pn5 h GLY 989 Ca 0.40 -0.12 -0.08 0.00 0.00 0.00 0.00 47.33 47.54 2pn5 h GLY 989 CO -0.13 0.11 -0.16 -0.33 0.00 0.00 0.00 176.54 176.03 2pn5 h MET 990 N 0.11 0.50 -0.70 4.80 2.86 0.40 -1.88 114.93 121.02 2pn5 h MET 990 Ca 0.05 -0.16 0.03 0.00 -2.06 0.00 0.00 59.70 57.56 2pn5 h MET 990 Cb 0.12 -0.05 -0.04 0.00 0.06 0.00 0.00 31.60 31.69 2pn5 h MET 990 CO -0.01 0.65 0.44 1.15 1.06 0.00 0.00 176.91 180.20 2pn5 h THR 991 N 0.46 1.10 -0.04 2.22 2.02 -1.10 -1.66 112.91 115.91 2pn5 h THR 991 Ca 0.08 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2pn5 h THR 991 Cb 0.54 0.16 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 2pn5 h THR 991 CO 0.03 0.16 0.00 0.22 0.37 0.00 0.00 175.52 176.31 2pn5 h TYR 992 N 0.86 0.01 -0.56 3.16 3.20 -0.77 -1.00 116.97 121.87 2pn5 h TYR 992 Ca 0.28 0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.15 2pn5 h TYR 992 Cb 0.01 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.25 2pn5 h TYR 992 CO -0.04 0.00 0.35 -0.07 -1.64 0.00 0.00 178.16 176.76 2pn5 h LEU 993 N 0.02 0.66 -0.84 2.82 3.38 -1.34 -0.07 115.31 119.94 2pn5 h LEU 993 Ca 0.02 -0.04 0.11 0.00 0.09 0.00 0.00 57.88 58.05 2pn5 h LEU 993 Cb 0.01 -0.17 -0.08 0.00 0.09 0.00 0.00 40.66 40.52 2pn5 h LEU 993 CO -0.02 0.51 0.47 -1.28 0.09 0.00 0.00 178.44 178.20 2pn5 h SER 994 N 0.75 0.65 -0.05 -0.43 0.87 -1.02 0.11 113.55 114.42 2pn5 h SER 994 Ca 0.20 0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.69 2pn5 h SER 994 Cb -0.04 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 2pn5 h SER 994 CO -0.04 0.34 -0.41 0.78 -0.53 0.00 0.00 176.83 176.97 2pn5 h ASN 995 N 0.75 0.61 0.73 6.23 2.35 -0.20 -3.25 115.58 122.80 2pn5 h ASN 995 Ca 0.42 -0.28 0.00 0.00 -0.55 0.00 0.00 56.30 55.90 2pn5 h ASN 995 Cb 0.46 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.66 2pn5 h ASN 995 CO -0.28 0.95 -0.34 0.00 -1.65 0.00 0.00 177.43 176.11 2pn5 n GLN 996 N -4.03 0.04 -0.24 0.81 1.13 -0.13 -4.51 117.38 110.45 2pn5 n GLN 996 Ca -0.02 0.02 0.03 0.00 -1.94 0.00 0.00 57.00 55.09 2pn5 n GLN 996 Cb 0.52 -1.53 0.16 0.00 0.11 0.00 0.00 30.24 29.50 2pn5 n GLN 996 CO 0.00 0.00 0.00 0.35 -1.44 0.00 0.00 177.06 175.97 2pn5 h PHE 997 N 0.00 0.46 0.00 1.08 3.57 -0.87 -0.07 116.94 121.10 2pn5 h PHE 997 Ca 0.00 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.53 2pn5 h PHE 997 Cb 0.54 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.18 2pn5 h PHE 997 CO 0.00 0.07 0.00 0.78 -2.23 0.00 0.00 178.31 176.93 2pn5 h GLY 998 N 0.42 0.00 -0.43 2.40 0.00 -1.84 -2.51 103.07 101.11 2pn5 h GLY 998 Ca 0.37 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.70 2pn5 h GLY 998 CO -0.37 0.00 -0.51 1.44 0.00 0.00 0.00 176.54 177.10 2pn5 n SER 999 N -2.71 1.26 -4.56 0.19 7.64 -0.06 -4.91 113.62 110.48 2pn5 n SER 999 Ca -0.01 -1.13 -0.39 0.00 1.01 0.00 0.00 58.87 58.34 2pn5 n SER 999 Cb 0.11 0.69 -0.03 0.00 -1.01 0.00 0.00 64.21 63.98 2pn5 n SER 999 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 2pn5 s ILE 1000N -2.16 3.37 -0.99 0.44 1.01 -0.95 -4.75 121.20 117.18 2pn5 s ILE 1000Ca 0.10 0.25 0.09 0.00 0.00 0.00 0.00 60.65 61.10 2pn5 s ILE 1000Cb 0.13 -3.88 0.03 0.00 0.01 0.00 0.00 42.46 38.74 2pn5 s ILE 1000CO 0.51 -0.82 0.68 0.59 0.00 0.00 0.00 174.94 175.91 2pn5 n ASN 1001N 12.43 1.41 -4.39 3.58 3.02 -1.26 -4.92 115.26 125.12 2pn5 n ASN 1001Ca 0.21 -1.20 -0.35 0.00 -0.03 0.00 0.00 54.58 53.20 2pn5 n ASN 1001Cb 0.51 0.29 -0.13 0.00 -0.61 0.00 0.00 39.78 39.84 2pn5 n ASN 1001CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 2pn5 s ASN 1002N -1.11 4.72 0.44 6.41 3.84 -1.26 -4.99 114.94 122.99 2pn5 s ASN 1002Ca 0.09 -0.28 0.15 0.00 0.21 0.00 0.00 52.86 53.03 2pn5 s ASN 1002Cb 0.08 -1.82 1.06 0.00 -0.55 0.00 0.00 41.25 40.01 2pn5 s ASN 1002CO 0.19 -0.00 1.97 0.00 -2.79 0.00 0.00 177.10 176.46 2pn5 h ALA 1003N 7.99 2.07 0.74 1.71 0.00 -1.98 -0.10 119.26 129.69 2pn5 h ALA 1003Ca -0.39 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.48 2pn5 h ALA 1003Cb 1.17 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.90 2pn5 h ALA 1003CO 0.60 -0.22 -0.36 -0.92 0.00 0.00 0.00 179.25 178.35 2pn5 h TYR 1004N 0.39 -0.92 -0.51 0.00 3.20 -1.95 -0.50 116.97 116.67 2pn5 h TYR 1004Ca 0.30 -0.02 0.10 0.00 3.14 0.00 0.00 58.73 62.25 2pn5 h TYR 1004Cb 0.65 0.31 -0.09 0.00 1.54 0.00 0.00 36.73 39.13 2pn5 h TYR 1004CO -0.00 -0.57 -0.09 -0.44 -1.64 0.00 0.00 178.16 175.41 2pn5 h ASP 1005N -1.09 -0.41 -0.70 -2.11 3.45 -1.81 -2.03 116.42 111.72 2pn5 h ASP 1005Ca -0.10 0.15 -0.02 0.00 0.43 0.00 0.00 57.03 57.49 2pn5 h ASP 1005Cb 0.76 0.29 -0.03 0.00 -0.56 0.00 0.00 39.33 39.79 2pn5 h ASP 1005CO 0.17 -0.15 0.38 0.25 -1.57 0.00 0.00 179.24 178.32 2pn5 h LEU 1006N 0.03 0.89 -0.67 1.55 5.85 -0.99 0.60 115.31 122.57 2pn5 h LEU 1006Ca 0.25 -0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.83 2pn5 h LEU 1006Cb 0.39 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.16 2pn5 h LEU 1006CO -0.50 0.73 0.18 0.77 -0.34 0.00 0.00 178.44 179.28 2pn5 h SER 1007N 1.00 1.01 -0.11 1.25 4.64 -0.36 0.27 113.55 121.25 2pn5 h SER 1007Ca 0.25 -0.22 -0.05 0.00 -0.47 0.00 0.00 61.79 61.30 2pn5 h SER 1007Cb 0.04 -0.27 -0.00 0.00 -0.31 0.00 0.00 62.40 61.87 2pn5 h SER 1007CO -0.04 0.97 -0.13 0.40 -0.87 0.00 0.00 176.83 177.16 2pn5 h ILE 1008N 1.00 1.36 -0.38 0.95 2.04 -1.10 -2.45 117.51 118.92 2pn5 h ILE 1008Ca 0.21 -1.31 0.02 0.00 1.00 0.00 0.00 64.86 64.78 2pn5 h ILE 1008Cb 0.34 1.96 -0.03 0.00 -0.74 0.00 0.00 36.82 38.36 2pn5 h ILE 1008CO -0.00 0.38 0.22 0.00 0.00 0.00 0.00 178.15 178.75 2pn5 h ALA 1009N 0.58 0.48 -0.34 1.87 0.00 -0.67 -0.63 119.26 120.55 2pn5 h ALA 1009Ca 0.02 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.98 2pn5 h ALA 1009Cb 0.66 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 2pn5 h ALA 1009CO 0.03 -0.12 -0.03 1.15 0.00 0.00 0.00 179.25 180.28 2pn5 h THR 1010N 0.45 0.72 -0.75 0.00 2.02 -0.52 -0.27 112.91 114.57 2pn5 h THR 1010Ca 0.15 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.25 2pn5 h THR 1010Cb 0.01 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.04 2pn5 h THR 1010CO -0.07 0.01 0.23 0.22 0.37 0.00 0.00 175.52 176.28 2pn5 h TYR 1011N 0.06 1.21 -0.17 3.16 3.20 -0.89 0.13 116.97 123.68 2pn5 h TYR 1011Ca 0.16 -0.12 0.02 0.00 3.14 0.00 0.00 58.73 61.93 2pn5 h TYR 1011Cb 0.24 -0.35 -0.02 0.00 1.54 0.00 0.00 36.73 38.13 2pn5 h TYR 1011CO -0.27 0.95 0.03 0.00 -1.64 0.00 0.00 178.16 177.24 2pn5 h ALA 1012N 1.12 0.17 -0.83 1.82 0.00 -0.83 -0.77 119.26 119.94 2pn5 h ALA 1012Ca 0.24 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.23 2pn5 h ALA 1012Cb 0.32 0.04 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 2pn5 h ALA 1012CO -0.01 -0.41 0.52 0.52 0.00 0.00 0.00 179.25 179.88 2pn5 h MET 1013N 0.10 0.96 0.09 0.00 2.86 -0.20 -0.83 114.93 117.91 2pn5 h MET 1013Ca 0.08 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.65 2pn5 h MET 1013Cb 0.07 -0.22 0.00 0.00 0.06 0.00 0.00 31.60 31.52 2pn5 h MET 1013CO -0.10 0.63 -0.05 0.52 1.06 0.00 0.00 176.91 178.97 2pn5 h MET 1014N 0.98 -0.12 -0.72 1.72 2.07 -0.44 0.11 114.93 118.52 2pn5 h MET 1014Ca 0.35 0.01 0.13 0.00 -2.07 0.00 0.00 59.70 58.12 2pn5 h MET 1014Cb 0.09 0.03 -0.05 0.00 -1.87 0.00 0.00 31.60 29.80 2pn5 h MET 1014CO -0.14 -0.04 0.48 -0.07 1.07 0.00 0.00 176.91 178.21 2pn5 h LEU 1015N -0.17 0.42 0.00 1.22 3.38 -0.57 -2.38 115.31 117.21 2pn5 h LEU 1015Ca -0.01 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2pn5 h LEU 1015Cb 0.14 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.82 2pn5 h LEU 1015CO 0.02 0.23 -0.89 -3.20 0.09 0.00 0.00 178.44 174.70 2pn5 n ASN 1016N -4.48 0.75 -2.76 -0.43 5.15 -0.37 -4.95 115.26 108.17 2pn5 n ASN 1016Ca 0.13 0.16 -0.18 0.00 -0.60 0.00 0.00 54.58 54.09 2pn5 n ASN 1016Cb 0.46 0.42 0.06 0.00 -0.53 0.00 0.00 39.78 40.19 2pn5 n ASN 1016CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2pn5 n GLY 1017N 1.27 -0.16 3.76 8.20 0.00 0.28 -4.99 105.19 113.56 2pn5 n GLY 1017Ca 0.01 0.01 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 2pn5 n GLY 1017CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2pn5 s HIS 1018N -3.22 3.29 0.57 1.61 2.46 -0.68 -4.90 115.29 114.41 2pn5 s HIS 1018Ca 0.42 1.57 0.30 0.00 0.47 0.00 0.00 55.06 57.82 2pn5 s HIS 1018Cb -0.19 -3.45 1.45 0.00 -0.13 0.00 0.00 32.58 30.26 2pn5 s HIS 1018CO 0.52 -1.18 1.86 1.79 -2.47 0.00 0.00 174.74 175.26 2pn5 h THR 1019N 2.94 0.42 -0.08 0.89 1.35 -1.94 -0.73 112.91 115.77 2pn5 h THR 1019Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2pn5 h THR 1019Cb 1.22 0.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 2pn5 h THR 1019CO 0.66 0.00 0.00 0.23 -0.25 0.00 0.00 175.52 176.16 2pn5 n MET 1020N -3.93 1.52 0.08 4.72 2.81 -1.26 -4.44 117.12 116.62 2pn5 n MET 1020Ca 0.14 -0.77 -0.12 0.00 -1.81 0.00 0.00 57.70 55.14 2pn5 n MET 1020Cb 0.85 -1.41 -0.06 0.00 -0.71 0.00 0.00 33.22 31.89 2pn5 n MET 1020CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 2pn5 h LYS 1021N 1.65 -0.16 -0.89 0.03 2.10 -1.43 0.20 116.57 118.07 2pn5 h LYS 1021Ca 0.00 0.01 0.09 0.00 -2.00 0.00 0.00 60.65 58.75 2pn5 h LYS 1021Cb 0.36 0.04 -0.07 0.00 -0.90 0.00 0.00 32.23 31.65 2pn5 h LYS 1021CO 0.00 -0.11 0.53 1.49 -2.00 0.00 0.00 179.45 179.37 2pn5 h GLU 1022N -0.16 0.88 -0.40 0.07 4.81 -1.83 -0.94 114.58 117.01 2pn5 h GLU 1022Ca 0.01 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 2pn5 h GLU 1022Cb 0.16 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2pn5 h GLU 1022CO -0.02 0.58 -0.04 1.49 -0.73 0.00 0.00 179.01 180.29 2pn5 h GLU 1023N 0.90 0.73 -0.49 1.92 4.81 -1.68 -2.28 114.58 118.49 2pn5 h GLU 1023Ca 0.42 -0.25 -0.03 0.00 -0.13 0.00 0.00 59.36 59.36 2pn5 h GLU 1023Cb 0.34 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.64 2pn5 h GLU 1023CO -0.23 0.84 0.17 0.00 -0.73 0.00 0.00 179.01 179.06 2pn5 h ALA 1024N 0.87 0.65 -0.35 2.92 0.00 0.14 -2.22 119.26 121.26 2pn5 h ALA 1024Ca 0.11 -0.17 -0.12 0.00 0.00 0.00 0.00 54.91 54.72 2pn5 h ALA 1024Cb 0.53 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2pn5 h ALA 1024CO 0.03 0.28 -0.28 1.25 0.00 0.00 0.00 179.25 180.53 2pn5 h LEU 1025N 0.66 0.75 -0.51 0.00 5.85 -1.17 -0.94 115.31 119.96 2pn5 h LEU 1025Ca 0.16 -0.29 -0.01 0.00 0.84 0.00 0.00 57.88 58.58 2pn5 h LEU 1025Cb 0.24 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2pn5 h LEU 1025CO -0.01 0.99 0.27 0.78 -0.34 0.00 0.00 178.44 180.12 2pn5 h ASN 1026N 0.62 0.64 -0.38 1.25 2.35 -1.26 0.70 115.58 119.51 2pn5 h ASN 1026Ca 0.08 -0.10 0.03 0.00 -0.55 0.00 0.00 56.30 55.75 2pn5 h ASN 1026Cb 0.79 -0.16 -0.03 0.00 0.05 0.00 0.00 38.32 38.96 2pn5 h ASN 1026CO 0.07 0.56 0.19 0.50 -1.65 0.00 0.00 177.43 177.10 2pn5 h LYS 1027N 0.67 0.37 -0.72 0.81 3.64 -1.14 -1.25 116.57 118.95 2pn5 h LYS 1027Ca 0.18 -0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.52 2pn5 h LYS 1027Cb 0.07 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 31.78 2pn5 h LYS 1027CO -0.03 0.25 0.40 1.25 -2.27 0.00 0.00 179.45 179.05 2pn5 h LEU 1028N 0.38 0.89 -0.56 5.20 5.85 -0.71 -2.07 115.31 124.29 2pn5 h LEU 1028Ca 0.16 -0.09 0.02 0.00 0.84 0.00 0.00 57.88 58.81 2pn5 h LEU 1028Cb 0.07 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 2pn5 h LEU 1028CO -0.12 0.72 0.35 0.40 -0.34 0.00 0.00 178.44 179.46 2pn5 h ILE 1029N 0.99 1.09 -0.21 4.05 2.04 -0.46 -1.76 117.51 123.25 2pn5 h ILE 1029Ca 0.25 -0.24 0.06 0.00 1.00 0.00 0.00 64.86 65.93 2pn5 h ILE 1029Cb 0.02 0.33 -0.01 0.00 -0.74 0.00 0.00 36.82 36.42 2pn5 h ILE 1029CO -0.04 0.13 0.23 0.44 0.00 0.00 0.00 178.15 178.91 2pn5 h ASP 1030N 0.70 0.00 0.02 1.72 3.32 -0.52 0.13 116.42 121.79 2pn5 h ASP 1030Ca 0.22 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.27 2pn5 h ASP 1030Cb -0.02 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.53 2pn5 h ASP 1030CO -0.08 0.00 -0.03 0.23 -1.72 0.00 0.00 179.24 177.64 2pn5 n MET 1031N -3.79 1.54 -1.73 3.56 2.81 -0.67 -4.97 117.12 113.88 2pn5 n MET 1031Ca 0.02 -0.87 -0.31 0.00 -1.81 0.00 0.00 57.70 54.73 2pn5 n MET 1031Cb 0.36 -1.48 0.04 0.00 -0.71 0.00 0.00 33.22 31.42 2pn5 n MET 1031CO 0.00 0.00 0.00 -1.54 1.51 0.00 0.00 175.97 175.94 2pn5 s SER 1032N -2.06 5.58 0.37 7.83 1.04 0.44 -4.74 113.70 122.16 2pn5 s SER 1032Ca 0.37 1.64 0.08 0.00 0.48 0.00 0.00 55.95 58.52 2pn5 s SER 1032Cb 0.21 -2.50 -0.05 0.00 0.10 0.00 0.00 66.02 63.78 2pn5 s SER 1032CO 0.36 -1.30 0.12 -0.36 0.98 0.00 0.00 173.24 173.03 2pn5 s PHE 1033N -2.91 2.62 0.00 5.02 0.40 0.15 -4.98 117.98 118.28 2pn5 s PHE 1033Ca 0.59 -0.48 0.02 0.00 -0.60 0.00 0.00 56.93 56.46 2pn5 s PHE 1033Cb -0.14 -1.72 -0.01 0.00 0.51 0.00 0.00 43.02 41.66 2pn5 s PHE 1033CO 0.50 0.32 -0.06 0.42 0.70 0.00 0.00 175.22 177.10 2pn5 s ILE 1034N -2.52 0.47 -0.32 0.64 -1.09 -1.26 -2.22 121.20 114.90 2pn5 s ILE 1034Ca 0.38 -0.41 0.04 0.00 -2.23 0.00 0.00 60.65 58.43 2pn5 s ILE 1034Cb 0.01 -0.43 0.09 0.00 -1.58 0.00 0.00 42.46 40.55 2pn5 s ILE 1034CO 0.22 0.03 0.02 -0.62 -1.23 0.00 0.00 174.94 173.36 2pn5 s ASP 1035N -0.41 4.68 0.24 3.58 -1.08 -0.43 -5.00 116.67 118.24 2pn5 s ASP 1035Ca -0.00 -2.00 -0.00 0.00 -0.52 0.00 0.00 52.55 50.02 2pn5 s ASP 1035Cb -0.04 -1.59 0.26 0.00 -1.46 0.00 0.00 42.92 40.10 2pn5 s ASP 1035CO -0.00 -0.35 1.62 0.00 0.52 0.00 0.00 175.17 176.96 2pn5 h ALA 1036N 7.66 0.91 0.00 3.66 0.00 -1.97 -0.28 119.26 129.24 2pn5 h ALA 1036Ca -0.07 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 2pn5 h ALA 1036Cb 1.02 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.70 2pn5 h ALA 1036CO 0.51 0.63 -0.09 -0.44 0.00 0.00 0.00 179.25 179.85 2pn5 h ASP 1037N 0.44 0.00 -0.01 0.00 3.32 -1.97 -3.03 116.42 115.18 2pn5 h ASP 1037Ca 0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.09 2pn5 h ASP 1037Cb 0.86 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.41 2pn5 h ASP 1037CO 0.07 0.09 -0.04 0.29 -1.72 0.00 0.00 179.24 177.93 2pn5 n LYS 1038N -3.58 0.71 -3.59 3.56 5.02 -0.89 -5.00 118.16 114.39 2pn5 n LYS 1038Ca -0.02 -0.80 -0.20 0.00 -2.02 0.00 0.00 58.31 55.27 2pn5 n LYS 1038Cb 0.22 -1.09 0.06 0.00 -0.02 0.00 0.00 35.03 34.19 2pn5 n LYS 1038CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 2pn5 n ASN 1039N 0.19 -1.87 -4.40 4.39 3.02 -0.20 -4.95 115.26 111.44 2pn5 n ASN 1039Ca 0.04 -0.72 -0.32 0.00 -0.03 0.00 0.00 54.58 53.54 2pn5 n ASN 1039Cb 0.17 -4.54 -0.14 0.00 -0.61 0.00 0.00 39.78 34.65 2pn5 n ASN 1039CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 2pn5 s GLU 1040N -5.75 2.48 -0.03 3.52 2.02 -0.68 -4.28 118.70 115.97 2pn5 s GLU 1040Ca 0.05 -0.78 0.05 0.00 0.02 0.00 0.00 54.97 54.31 2pn5 s GLU 1040Cb -0.02 -2.28 -0.01 0.00 0.10 0.00 0.00 34.13 31.92 2pn5 s GLU 1040CO 0.77 0.54 -0.18 0.50 0.02 0.00 0.00 175.26 176.92 2pn5 s ARG 1041N -0.54 1.67 0.29 1.61 3.52 -0.42 -1.31 118.95 123.77 2pn5 s ARG 1041Ca 0.07 -0.65 -0.20 0.00 -0.13 0.00 0.00 55.73 54.83 2pn5 s ARG 1041Cb -0.11 -1.53 0.04 0.00 -1.56 0.00 0.00 34.95 31.79 2pn5 s ARG 1041CO 0.01 0.33 0.78 -0.59 -0.81 0.00 0.00 175.30 175.02 2pn5 s PHE 1042N -0.21 -0.09 -0.15 5.12 -0.71 -0.94 -3.95 117.98 117.06 2pn5 s PHE 1042Ca 0.02 -0.41 0.00 0.00 -1.04 0.00 0.00 56.93 55.50 2pn5 s PHE 1042Cb -0.09 0.74 -0.01 0.00 -1.21 0.00 0.00 43.02 42.45 2pn5 s PHE 1042CO 0.01 -1.27 -0.14 -1.58 -1.34 0.00 0.00 175.22 170.90 2pn5 s TRP 1043N -3.34 2.79 -1.23 3.49 0.51 -1.26 0.30 118.94 120.19 2pn5 s TRP 1043Ca 0.13 -0.88 -0.10 0.00 -2.12 0.00 0.00 56.10 53.12 2pn5 s TRP 1043Cb -0.05 -1.87 0.19 0.00 -0.81 0.00 0.00 33.47 30.92 2pn5 s TRP 1043CO 0.08 -0.37 1.67 -1.71 -0.51 0.00 0.00 176.95 176.11 2pn5 n ASN 1044N 3.86 5.28 -4.98 2.95 5.15 -1.26 -4.53 115.26 121.74 2pn5 n ASN 1044Ca -0.19 -3.10 -0.21 0.00 -0.60 0.00 0.00 54.58 50.49 2pn5 n ASN 1044Cb 0.52 -1.48 0.02 0.00 -0.53 0.00 0.00 39.78 38.31 2pn5 n ASN 1044CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 2pn5 s THR 1045N 0.34 2.31 -0.04 -0.44 -4.23 -1.26 -5.00 115.64 107.32 2pn5 s THR 1045Ca 0.39 -1.16 0.29 0.00 -1.18 0.00 0.00 61.69 60.04 2pn5 s THR 1045Cb 0.05 -2.47 0.31 0.00 1.34 0.00 0.00 72.50 71.72 2pn5 s THR 1045CO 0.01 0.00 1.89 0.71 -0.54 0.00 0.00 174.62 176.69 2pn5 h THR 1046N 0.54 0.00 -2.20 3.99 1.35 -2.02 -3.05 112.91 111.53 2pn5 h THR 1046Ca -0.35 -0.16 -0.60 0.00 -0.55 0.00 0.00 66.41 64.75 2pn5 h THR 1046Cb 1.29 0.92 -0.42 0.00 -1.73 0.00 0.00 68.15 68.21 2pn5 h THR 1046CO 0.48 0.00 -0.60 0.59 -0.25 0.00 0.00 175.52 175.74 2pn5 n ASN 1047N -2.58 3.79 0.22 5.36 3.02 -1.26 -4.95 115.26 118.86 2pn5 n ASN 1047Ca -0.00 -3.46 0.07 0.00 -0.03 0.00 0.00 54.58 51.16 2pn5 n ASN 1047Cb 0.15 -0.66 0.51 0.00 -0.61 0.00 0.00 39.78 39.17 2pn5 n ASN 1047CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2pn5 h PRO 1048N 4.08 0.00 0.12 3.52 0.13 -1.77 -2.81 132.00 135.28 2pn5 h PRO 1048Ca 0.19 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.32 2pn5 h PRO 1048Cb 0.65 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.78 2pn5 h PRO 1048CO 0.83 0.25 -0.06 0.82 -0.23 0.00 0.00 178.00 179.61 2pn5 h ILE 1049N 0.00 1.03 0.04 -3.56 2.04 -1.91 -1.42 117.51 113.73 2pn5 h ILE 1049Ca -0.00 -0.70 0.03 0.00 1.00 0.00 0.00 64.86 65.19 2pn5 h ILE 1049Cb 0.51 1.47 -0.04 0.00 -0.74 0.00 0.00 36.82 38.02 2pn5 h ILE 1049CO 0.03 0.17 -0.31 -0.33 0.00 0.00 0.00 178.15 177.71 2pn5 h GLU 1050N -0.50 -0.46 -0.64 2.37 5.08 -1.84 0.58 114.58 119.17 2pn5 h GLU 1050Ca -0.02 0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.29 2pn5 h GLU 1050Cb 0.40 0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.73 2pn5 h GLU 1050CO 0.03 -0.31 0.06 0.00 -1.00 0.00 0.00 179.01 177.79 2pn5 h THR 1051N -0.48 1.26 -0.63 1.13 1.03 -1.52 0.13 112.91 113.84 2pn5 h THR 1051Ca 0.05 -1.09 -0.05 0.00 -0.01 0.00 0.00 66.41 65.31 2pn5 h THR 1051Cb 0.55 0.71 -0.03 0.00 -1.07 0.00 0.00 68.15 68.31 2pn5 h THR 1051CO -0.23 0.40 0.18 0.74 -0.01 0.00 0.00 175.52 176.61 2pn5 h THR 1052N 1.00 1.24 -0.33 0.00 2.02 -1.12 -0.78 112.91 114.94 2pn5 h THR 1052Ca 0.19 -0.84 -0.05 0.00 0.77 0.00 0.00 66.41 66.48 2pn5 h THR 1052Cb 0.50 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.46 2pn5 h THR 1052CO 0.02 0.32 0.01 0.00 0.37 0.00 0.00 175.52 176.24 2pn5 h ALA 1053N 1.27 0.44 -0.63 6.16 0.00 -0.02 -0.49 119.26 125.99 2pn5 h ALA 1053Ca 0.20 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2pn5 h ALA 1053Cb 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2pn5 h ALA 1053CO -0.01 0.18 0.40 1.88 0.00 0.00 0.00 179.25 181.70 2pn5 h TYR 1054N 0.37 0.81 -0.72 0.00 -1.99 -0.50 -1.42 116.97 113.54 2pn5 h TYR 1054Ca 0.09 0.01 0.05 0.00 2.00 0.00 0.00 58.73 60.88 2pn5 h TYR 1054Cb 0.43 -0.27 -0.05 0.00 2.00 0.00 0.00 36.73 38.83 2pn5 h TYR 1054CO 0.03 0.53 0.43 0.00 -0.00 0.00 0.00 178.16 179.15 2pn5 h ALA 1055N 1.21 0.96 -0.83 3.88 0.00 -0.97 -2.42 119.26 121.09 2pn5 h ALA 1055Ca 0.23 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 2pn5 h ALA 1055Cb -0.06 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 2pn5 h ALA 1055CO -0.05 0.15 0.44 1.25 0.00 0.00 0.00 179.25 181.04 2pn5 h LEU 1056N 0.80 1.06 -0.46 0.00 5.85 -0.39 0.26 115.31 122.43 2pn5 h LEU 1056Ca 0.31 -0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.96 2pn5 h LEU 1056Cb 0.13 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 2pn5 h LEU 1056CO -0.16 0.86 0.24 -0.07 -0.34 0.00 0.00 178.44 178.97 2pn5 h LEU 1057N 1.17 0.35 -0.61 2.25 3.38 -0.82 -0.06 115.31 120.98 2pn5 h LEU 1057Ca 0.29 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.26 2pn5 h LEU 1057Cb 0.06 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.74 2pn5 h LEU 1057CO -0.04 0.25 0.27 0.28 0.09 0.00 0.00 178.44 179.29 2pn5 h SER 1058N 0.47 0.81 -0.45 -0.43 0.02 -0.91 0.17 113.55 113.23 2pn5 h SER 1058Ca 0.20 -0.15 0.09 0.00 -0.84 0.00 0.00 61.79 61.09 2pn5 h SER 1058Cb 0.09 -0.21 -0.08 0.00 0.14 0.00 0.00 62.40 62.34 2pn5 h SER 1058CO -0.13 0.73 -0.07 -0.26 -1.14 0.00 0.00 176.83 175.96 2pn5 h PHE 1059N 0.83 -0.16 -0.24 3.45 -1.00 -0.51 0.47 116.94 119.79 2pn5 h PHE 1059Ca 0.21 0.04 -0.00 0.00 2.81 0.00 0.00 57.97 61.02 2pn5 h PHE 1059Cb 0.15 0.14 -0.01 0.00 3.61 0.00 0.00 35.95 39.84 2pn5 h PHE 1059CO 0.00 -0.16 0.14 0.28 -1.61 0.00 0.00 178.31 176.97 2pn5 h VAL 1060N 0.04 1.09 0.00 -0.55 2.07 -0.25 0.72 116.25 119.36 2pn5 h VAL 1060Ca 0.22 -0.20 -0.02 0.00 0.82 0.00 0.00 66.70 67.52 2pn5 h VAL 1060Cb 0.33 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.90 2pn5 h VAL 1060CO -0.43 0.08 -0.09 -0.03 0.02 0.00 0.00 177.57 177.12 2pn5 h MET 1061N 0.30 0.00 -0.52 1.57 -1.53 -0.04 -0.33 114.93 114.37 2pn5 h MET 1061Ca 0.08 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.34 2pn5 h MET 1061Cb 0.01 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.06 2pn5 h MET 1061CO -0.02 0.09 0.00 0.00 0.14 0.00 0.00 176.91 177.12 2pn5 n ALA 1062N -2.42 2.42 -2.21 0.39 0.00 0.10 -4.95 120.51 113.83 2pn5 n ALA 1062Ca -0.03 -1.03 -0.20 0.00 0.00 0.00 0.00 53.44 52.18 2pn5 n ALA 1062Cb 0.17 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.66 2pn5 n ALA 1062CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2pn5 n GLU 1063N 1.33 -1.58 -2.01 0.00 1.02 -0.14 -4.89 120.64 114.37 2pn5 n GLU 1063Ca 0.20 1.04 -0.41 0.00 -0.02 0.00 0.00 57.16 57.98 2pn5 n GLU 1063Cb 0.55 -5.62 -0.00 0.00 -0.02 0.00 0.00 31.44 26.35 2pn5 n GLU 1063CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2pn5 n LYS 1064N -2.84 4.02 -0.16 3.49 5.02 0.10 -4.73 118.16 123.06 2pn5 n LYS 1064Ca -0.23 -3.27 -0.11 0.00 -2.02 0.00 0.00 58.31 52.67 2pn5 n LYS 1064Cb 0.68 -2.80 -0.00 0.00 -0.02 0.00 0.00 35.03 32.89 2pn5 n LYS 1064CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 2pn5 h TYR 1065N 5.15 1.08 -0.24 2.13 0.99 -1.90 -1.79 116.97 122.38 2pn5 h TYR 1065Ca 0.61 -0.24 -0.13 0.00 2.00 0.00 0.00 58.73 60.96 2pn5 h TYR 1065Cb 0.44 -0.26 -0.00 0.00 1.00 0.00 0.00 36.73 37.91 2pn5 h TYR 1065CO 1.50 1.04 -0.36 0.00 -0.00 0.00 0.00 178.16 180.34 2pn5 h THR 1066N 0.80 1.31 0.00 -2.88 1.03 -1.99 -2.60 112.91 108.58 2pn5 h THR 1066Ca 0.12 -1.56 0.00 0.00 -0.01 0.00 0.00 66.41 64.95 2pn5 h THR 1066Cb 0.71 1.73 0.00 0.00 -1.07 0.00 0.00 68.15 69.52 2pn5 h THR 1066CO 0.05 0.49 0.00 0.47 -0.01 0.00 0.00 175.52 176.53 2pn5 n ASP 1067N -4.23 0.48 0.10 0.00 8.00 -1.23 -2.93 116.55 116.74 2pn5 n ASP 1067Ca -0.05 0.58 -0.03 0.00 0.71 0.00 0.00 54.79 56.00 2pn5 n ASP 1067Cb 0.52 -0.70 0.02 0.00 -0.02 0.00 0.00 41.12 40.94 2pn5 n ASP 1067CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 2pn5 h GLY 1068N 3.34 0.00 1.01 0.44 0.00 -0.93 -3.35 103.07 103.59 2pn5 h GLY 1068Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2pn5 h GLY 1068CO 0.00 0.00 0.45 0.16 0.00 0.00 0.00 176.54 177.15 2pn5 h ILE 1069N 0.00 1.23 -0.44 2.60 3.07 -1.40 0.11 117.51 122.68 2pn5 h ILE 1069Ca -0.01 -0.56 0.07 0.00 1.55 0.00 0.00 64.86 65.91 2pn5 h ILE 1069Cb 1.44 0.16 -0.02 0.00 -0.27 0.00 0.00 36.82 38.13 2pn5 h ILE 1069CO 0.10 0.25 0.30 -0.65 -1.05 0.00 0.00 178.15 177.11 2pn5 h PRO 1070N 1.10 0.29 -0.19 0.16 0.11 -1.75 0.35 132.00 132.07 2pn5 h PRO 1070Ca 0.28 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.31 2pn5 h PRO 1070Cb 0.01 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 2pn5 h PRO 1070CO -0.05 0.19 -0.12 0.28 -0.21 0.00 0.00 178.00 178.09 2pn5 h VAL 1071N 0.30 1.32 -0.39 3.15 2.07 -1.22 -1.04 116.25 120.43 2pn5 h VAL 1071Ca 0.20 -1.22 -0.01 0.00 0.82 0.00 0.00 66.70 66.49 2pn5 h VAL 1071Cb 0.39 1.69 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 2pn5 h VAL 1071CO -0.04 0.37 0.21 -0.03 0.02 0.00 0.00 177.57 178.10 2pn5 h MET 1072N 0.11 0.55 -0.90 1.57 -1.53 -0.41 -1.46 114.93 112.85 2pn5 h MET 1072Ca 0.04 -0.07 0.23 0.00 -3.44 0.00 0.00 59.70 56.47 2pn5 h MET 1072Cb 0.63 -0.11 -0.16 0.00 -0.55 0.00 0.00 31.60 31.41 2pn5 h MET 1072CO 0.03 0.45 0.02 -0.91 0.14 0.00 0.00 176.91 176.65 2pn5 h ASN 1073N 0.50 -0.42 0.32 1.39 2.35 -0.24 0.49 115.58 119.98 2pn5 h ASN 1073Ca 0.14 0.25 -0.02 0.00 -0.55 0.00 0.00 56.30 56.12 2pn5 h ASN 1073Cb 0.06 0.43 0.00 0.00 0.05 0.00 0.00 38.32 38.86 2pn5 h ASN 1073CO -0.02 -0.28 -0.16 -0.25 -1.65 0.00 0.00 177.43 175.08 2pn5 h TRP 1074N 0.06 -0.40 0.24 1.19 7.01 -1.15 -3.22 115.95 119.68 2pn5 h TRP 1074Ca 0.53 -0.01 0.01 0.00 2.11 0.00 0.00 58.89 61.53 2pn5 h TRP 1074Cb 1.03 0.13 -0.03 0.00 -2.10 0.00 0.00 29.16 28.19 2pn5 h TRP 1074CO -0.47 -0.06 -0.33 -0.07 -2.79 0.00 0.00 178.44 174.72 2pn5 h LEU 1075N -0.87 -0.91 -1.53 0.65 3.38 -0.65 -0.67 115.31 114.71 2pn5 h LEU 1075Ca -0.04 0.09 0.44 0.00 0.09 0.00 0.00 57.88 58.45 2pn5 h LEU 1075Cb 0.52 0.33 -0.11 0.00 0.09 0.00 0.00 40.66 41.49 2pn5 h LEU 1075CO 0.07 -0.44 0.92 0.58 0.09 0.00 0.00 178.44 179.66 2pn5 h VAL 1076N -0.63 0.16 -0.01 1.22 2.07 -1.07 0.12 116.25 118.11 2pn5 h VAL 1076Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 2pn5 h VAL 1076Cb 0.60 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.43 2pn5 h VAL 1076CO -0.12 0.02 -0.11 -3.20 0.02 0.00 0.00 177.57 174.18 2pn5 n ASN 1077N -4.54 1.18 -1.20 0.57 5.15 -0.28 -3.36 115.26 112.79 2pn5 n ASN 1077Ca 0.36 -1.17 0.12 0.00 -0.60 0.00 0.00 54.58 53.29 2pn5 n ASN 1077Cb 1.46 0.05 0.24 0.00 -0.53 0.00 0.00 39.78 41.00 2pn5 n ASN 1077CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2pn5 n GLN 1078N -0.27 2.55 -2.25 1.20 1.13 0.41 -4.62 117.38 115.52 2pn5 n GLN 1078Ca 0.16 -2.35 -0.38 0.00 -1.94 0.00 0.00 57.00 52.49 2pn5 n GLN 1078Cb 0.34 -1.53 -0.01 0.00 0.11 0.00 0.00 30.24 29.15 2pn5 n GLN 1078CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2pn5 s ARG 1079N -1.41 3.87 0.55 -1.09 0.52 -1.21 -4.55 118.95 115.63 2pn5 s ARG 1079Ca 0.41 1.83 -0.15 0.00 -0.52 0.00 0.00 55.73 57.30 2pn5 s ARG 1079Cb 0.23 -2.52 -0.06 0.00 0.52 0.00 0.00 34.95 33.12 2pn5 s ARG 1079CO 0.32 -0.47 1.01 -0.47 0.02 0.00 0.00 175.30 175.70 2pn5 s TYR 1080N -1.48 3.44 0.56 -0.53 5.04 0.23 -4.44 117.35 120.18 2pn5 s TYR 1080Ca 0.61 1.43 0.37 0.00 -2.44 0.00 0.00 57.07 57.03 2pn5 s TYR 1080Cb -0.30 -2.80 1.49 0.00 0.35 0.00 0.00 41.96 40.70 2pn5 s TYR 1080CO 0.37 -0.54 1.70 -0.24 -1.34 0.00 0.00 175.55 175.50 2pn5 h VAL 1081N 0.53 0.26 -0.00 3.14 3.04 -1.87 0.01 116.25 121.36 2pn5 h VAL 1081Ca -0.46 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.23 2pn5 h VAL 1081Cb 1.19 0.31 0.00 0.00 -2.01 0.00 0.00 31.29 30.78 2pn5 h VAL 1081CO 0.61 0.00 -0.07 0.35 -1.01 0.00 0.00 177.57 177.45 2pn5 n THR 1082N -3.92 0.00 0.00 3.17 -2.24 -1.26 -4.90 114.28 105.13 2pn5 n THR 1082Ca 0.26 -0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.04 2pn5 n THR 1082Cb 1.34 -0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.19 2pn5 n THR 1082CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pn5 n GLY 1083N 1.46 3.20 1.02 3.38 0.00 -0.01 -2.73 105.19 111.51 2pn5 n GLY 1083Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 2pn5 n GLY 1083CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pn5 n SER 1084N 0.00 0.01 -4.91 1.61 3.41 -1.26 -4.74 113.62 107.74 2pn5 n SER 1084Ca 0.00 -1.12 -0.22 0.00 -0.26 0.00 0.00 58.87 57.27 2pn5 n SER 1084Cb 0.00 -0.27 -0.03 0.00 -0.26 0.00 0.00 64.21 63.65 2pn5 n SER 1084CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 2pn5 s PHE 1085N -1.76 3.33 0.16 7.33 0.40 -1.26 0.75 117.98 126.92 2pn5 s PHE 1085Ca 0.20 -0.04 0.25 0.00 -0.60 0.00 0.00 56.93 56.74 2pn5 s PHE 1085Cb -0.01 -1.52 1.39 0.00 0.51 0.00 0.00 43.02 43.40 2pn5 s PHE 1085CO 0.14 0.47 1.76 -1.35 0.70 0.00 0.00 175.22 176.94 2pn5 h PRO 1086N 1.36 0.00 0.00 0.24 0.11 -1.91 -3.42 132.00 128.38 2pn5 h PRO 1086Ca -0.51 0.00 -0.30 0.00 0.11 0.00 0.00 66.00 65.31 2pn5 h PRO 1086Cb 1.23 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.27 2pn5 h PRO 1086CO 0.61 0.00 -0.26 0.45 -0.21 0.00 0.00 178.00 178.60 2pn5 n SER 1087N -2.47 0.78 -0.00 -2.05 2.88 -1.26 -4.71 113.62 106.78 2pn5 n SER 1087Ca -0.02 -2.19 -0.00 0.00 -1.33 0.00 0.00 58.87 55.32 2pn5 n SER 1087Cb 0.16 0.64 -0.00 0.00 -0.75 0.00 0.00 64.21 64.26 2pn5 n SER 1087CO 0.00 0.00 0.00 0.71 -1.23 0.00 0.00 175.04 174.52 2pn5 h THR 1088N 1.42 0.00 -0.56 2.46 1.35 -1.93 -2.73 112.91 112.92 2pn5 h THR 1088Ca -0.16 -0.26 -0.03 0.00 -0.55 0.00 0.00 66.41 65.40 2pn5 h THR 1088Cb 0.66 0.00 -0.03 0.00 -1.73 0.00 0.00 68.15 67.06 2pn5 h THR 1088CO 0.26 0.00 0.21 1.56 -0.25 0.00 0.00 175.52 177.30 2pn5 h GLN 1089N -0.29 0.81 -0.79 4.72 1.08 -1.98 0.08 115.11 118.73 2pn5 h GLN 1089Ca -0.00 -0.13 0.17 0.00 -1.45 0.00 0.00 58.65 57.24 2pn5 h GLN 1089Cb 0.02 -0.14 -0.11 0.00 -0.05 0.00 0.00 27.48 27.20 2pn5 h GLN 1089CO 0.01 0.67 0.29 -0.44 -0.95 0.00 0.00 178.83 178.41 2pn5 h ASP 1090N 0.80 0.22 -0.15 1.46 3.32 -1.95 -1.55 116.42 118.57 2pn5 h ASP 1090Ca 0.19 0.13 -0.08 0.00 0.02 0.00 0.00 57.03 57.29 2pn5 h ASP 1090Cb 0.18 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.86 2pn5 h ASP 1090CO -0.02 0.04 -0.22 0.74 -1.72 0.00 0.00 179.24 178.06 2pn5 h THR 1091N 0.39 1.36 -0.12 0.35 2.02 -0.69 0.43 112.91 116.64 2pn5 h THR 1091Ca 0.46 -1.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.18 2pn5 h THR 1091Cb 0.77 1.95 -0.01 0.00 -1.74 0.00 0.00 68.15 69.13 2pn5 h THR 1091CO -0.47 0.43 0.04 -0.26 0.37 0.00 0.00 175.52 175.62 2pn5 h PHE 1092N 0.02 0.20 -0.06 3.16 0.05 -0.82 -0.09 116.94 119.40 2pn5 h PHE 1092Ca 0.01 -0.02 -0.06 0.00 3.82 0.00 0.00 57.97 61.73 2pn5 h PHE 1092Cb 0.79 -0.06 0.00 0.00 2.00 0.00 0.00 35.95 38.68 2pn5 h PHE 1092CO 0.09 0.33 -0.18 0.28 -0.18 0.00 0.00 178.31 178.65 2pn5 h VAL 1093N 0.01 1.44 0.16 -0.55 2.07 -1.40 -3.02 116.25 114.95 2pn5 h VAL 1093Ca 0.04 -1.57 0.02 0.00 0.82 0.00 0.00 66.70 66.01 2pn5 h VAL 1093Cb 0.22 2.30 -0.04 0.00 -1.52 0.00 0.00 31.29 32.26 2pn5 h VAL 1093CO -0.00 0.44 -0.32 1.23 0.02 0.00 0.00 177.57 178.94 2pn5 h GLY 1094N -0.28 -0.63 1.23 2.17 0.00 -0.86 -0.53 103.07 104.17 2pn5 h GLY 1094Ca -0.01 0.37 -0.04 0.00 0.00 0.00 0.00 47.33 47.65 2pn5 h GLY 1094CO 0.04 -0.25 0.24 1.41 0.00 0.00 0.00 176.54 177.98 2pn5 h LEU 1095N -0.56 0.91 -0.26 3.11 3.38 -1.15 -0.34 115.31 120.39 2pn5 h LEU 1095Ca 0.02 -0.14 0.03 0.00 0.09 0.00 0.00 57.88 57.89 2pn5 h LEU 1095Cb 0.58 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2pn5 h LEU 1095CO -0.16 0.83 0.06 0.50 0.09 0.00 0.00 178.44 179.75 2pn5 h LYS 1096N 0.96 0.15 -0.38 1.13 3.64 -1.33 -0.88 116.57 119.86 2pn5 h LYS 1096Ca 0.22 -0.01 -0.07 0.00 -1.27 0.00 0.00 60.65 59.53 2pn5 h LYS 1096Cb 0.22 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 32.00 2pn5 h LYS 1096CO -0.01 0.10 -0.02 0.00 -2.27 0.00 0.00 179.45 177.25 2pn5 h ALA 1097N 1.19 0.52 -0.61 5.00 0.00 -0.52 -0.72 119.26 124.11 2pn5 h ALA 1097Ca 0.12 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.71 2pn5 h ALA 1097Cb 0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2pn5 h ALA 1097CO -0.15 0.31 0.19 -0.07 0.00 0.00 0.00 179.25 179.52 2pn5 h LEU 1098N 0.50 0.90 -0.48 0.00 3.38 -0.94 -1.60 115.31 117.07 2pn5 h LEU 1098Ca 0.11 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 2pn5 h LEU 1098Cb 0.49 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2pn5 h LEU 1098CO 0.02 0.87 -0.10 0.74 0.09 0.00 0.00 178.44 180.06 2pn5 h THR 1099N 0.88 1.27 -0.32 0.22 2.02 -1.00 0.20 112.91 116.18 2pn5 h THR 1099Ca 0.20 -1.23 -0.05 0.00 0.77 0.00 0.00 66.41 66.09 2pn5 h THR 1099Cb 0.30 1.08 -0.01 0.00 -1.74 0.00 0.00 68.15 67.78 2pn5 h THR 1099CO -0.01 0.43 -0.01 0.11 0.37 0.00 0.00 175.52 176.41 2pn5 h LYS 1100N 0.76 0.57 -0.40 6.66 1.79 -1.01 -1.81 116.57 123.13 2pn5 h LYS 1100Ca 0.12 -0.19 -0.03 0.00 -2.18 0.00 0.00 60.65 58.37 2pn5 h LYS 1100Cb 0.65 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 31.24 2pn5 h LYS 1100CO 0.05 0.71 0.12 1.98 -1.08 0.00 0.00 179.45 181.22 2pn5 h MET 1101N 0.37 0.63 -0.08 3.15 4.05 -1.14 -3.10 114.93 118.80 2pn5 h MET 1101Ca 0.09 -0.14 0.04 0.00 -0.28 0.00 0.00 59.70 59.40 2pn5 h MET 1101Cb 0.46 -0.09 -0.04 0.00 -0.80 0.00 0.00 31.60 31.13 2pn5 h MET 1101CO 0.02 0.64 -0.16 0.00 0.23 0.00 0.00 176.91 177.63 2pn5 h ALA 1102N 0.97 -0.13 -0.97 0.39 0.00 -0.50 -2.20 119.26 116.81 2pn5 h ALA 1102Ca 0.13 0.03 0.22 0.00 0.00 0.00 0.00 54.91 55.30 2pn5 h ALA 1102Cb 0.27 0.31 -0.08 0.00 0.00 0.00 0.00 17.79 18.29 2pn5 h ALA 1102CO -0.00 -0.63 0.63 0.93 0.00 0.00 0.00 179.25 180.18 2pn5 h GLU 1103N -0.23 0.45 0.00 0.00 5.08 -1.26 -2.32 114.58 116.30 2pn5 h GLU 1103Ca 0.08 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.23 2pn5 h GLU 1103Cb 0.34 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 2pn5 h GLU 1103CO -0.22 0.30 -1.32 0.87 -1.00 0.00 0.00 179.01 177.64 2pn5 h LYS 1104N 0.46 0.00 0.00 2.33 1.79 -1.44 -3.39 116.57 116.32 2pn5 h LYS 1104Ca 0.53 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 59.00 2pn5 h LYS 1104Cb 1.26 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.91 2pn5 h LYS 1104CO -0.25 0.38 -1.74 0.44 -1.08 0.00 0.00 179.45 177.20 2pn5 n ILE 1105N -2.98 0.00 -3.07 1.86 -5.35 -0.87 -5.00 119.36 103.95 2pn5 n ILE 1105Ca -0.09 -0.39 -0.38 0.00 -0.27 0.00 0.00 62.75 61.62 2pn5 n ILE 1105Cb 0.86 0.18 -0.06 0.00 -1.74 0.00 0.00 39.64 38.89 2pn5 n ILE 1105CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2pn5 s SER 1106N -4.00 7.23 0.94 7.28 1.04 -0.94 -4.97 113.70 120.28 2pn5 s SER 1106Ca -0.05 1.51 -0.11 0.00 0.48 0.00 0.00 55.95 57.77 2pn5 s SER 1106Cb 0.12 -2.45 0.11 0.00 0.10 0.00 0.00 66.02 63.90 2pn5 s SER 1106CO 0.78 0.17 0.83 -2.65 0.98 0.00 0.00 173.24 173.35 2pn5 n PRO 1107N 1.35 -0.49 -0.34 4.02 -0.02 -1.26 -4.92 135.00 133.34 2pn5 n PRO 1107Ca -0.06 -0.09 0.01 0.00 -2.02 0.00 0.00 63.50 61.35 2pn5 n PRO 1107Cb 0.50 -2.15 0.18 0.00 -0.02 0.00 0.00 33.50 32.00 2pn5 n PRO 1107CO 0.00 0.00 0.00 0.77 1.98 0.00 0.00 175.50 178.25 2pn5 h SER 1108N -1.80 1.03 -4.16 2.55 0.02 -1.97 -3.45 113.55 105.77 2pn5 h SER 1108Ca -0.44 -0.01 -0.37 0.00 -0.84 0.00 0.00 61.79 60.13 2pn5 h SER 1108Cb 1.28 -0.23 -0.27 0.00 0.14 0.00 0.00 62.40 63.32 2pn5 h SER 1108CO 0.38 0.70 -0.77 -0.13 -1.14 0.00 0.00 176.83 175.87 2pn5 s ARG 1109N -6.01 0.69 -0.21 3.45 0.52 -1.26 -4.88 118.95 111.24 2pn5 s ARG 1109Ca -0.12 -0.44 -0.09 0.00 -0.52 0.00 0.00 55.73 54.56 2pn5 s ARG 1109Cb 0.19 -0.64 -0.05 0.00 0.52 0.00 0.00 34.95 34.97 2pn5 s ARG 1109CO 0.81 0.17 0.12 -0.80 0.02 0.00 0.00 175.30 175.62 2pn5 s ASN 1110N -0.55 5.99 -0.43 0.23 0.01 -1.26 -4.07 114.94 114.87 2pn5 s ASN 1110Ca 0.01 0.14 0.05 0.00 -0.71 0.00 0.00 52.86 52.35 2pn5 s ASN 1110Cb -0.05 -2.06 0.17 0.00 0.41 0.00 0.00 41.25 39.73 2pn5 s ASN 1110CO 0.00 0.13 0.53 -0.62 -1.51 0.00 0.00 177.10 175.63 2pn5 s ASP 1111N 0.64 -0.15 0.14 -1.22 2.15 0.31 -3.62 116.67 114.92 2pn5 s ASP 1111Ca 0.07 -1.71 -0.08 0.00 0.43 0.00 0.00 52.55 51.26 2pn5 s ASP 1111Cb -0.12 1.09 -0.01 0.00 -0.30 0.00 0.00 42.92 43.58 2pn5 s ASP 1111CO 0.01 -0.16 0.24 -0.72 -0.17 0.00 0.00 175.17 174.36 2pn5 s TYR 1112N 1.12 0.37 -0.06 -5.34 1.13 0.63 -0.24 117.35 114.96 2pn5 s TYR 1112Ca 0.23 -0.76 0.05 0.00 -1.41 0.00 0.00 57.07 55.19 2pn5 s TYR 1112Cb -0.05 -0.10 -0.01 0.00 -1.10 0.00 0.00 41.96 40.70 2pn5 s TYR 1112CO -0.07 -0.65 -0.22 0.99 -2.51 0.00 0.00 175.55 173.09 2pn5 s THR 1113N -3.94 2.37 -0.16 -3.49 2.01 0.51 -1.23 115.64 111.71 2pn5 s THR 1113Ca 0.14 -0.95 0.02 0.00 0.31 0.00 0.00 61.69 61.21 2pn5 s THR 1113Cb 0.04 -1.89 0.02 0.00 0.01 0.00 0.00 72.50 70.68 2pn5 s THR 1113CO -0.03 0.57 -0.21 -0.69 -0.69 0.00 0.00 174.62 173.57 2pn5 s VAL 1114N -0.21 2.06 -0.22 3.82 1.01 0.14 -1.63 120.40 125.36 2pn5 s VAL 1114Ca -0.01 -0.96 -0.06 0.00 0.00 0.00 0.00 61.98 60.95 2pn5 s VAL 1114Cb -0.13 -1.84 -0.02 0.00 0.00 0.00 0.00 36.38 34.38 2pn5 s VAL 1114CO 0.03 0.54 0.03 -1.58 0.00 0.00 0.00 175.10 174.12 2pn5 s GLN 1115N 1.10 3.61 -0.41 2.72 0.74 -0.09 -0.46 119.66 126.87 2pn5 s GLN 1115Ca 0.00 -0.51 -0.12 0.00 0.05 0.00 0.00 55.36 54.78 2pn5 s GLN 1115Cb -0.14 -3.19 0.04 0.00 1.10 0.00 0.00 33.01 30.83 2pn5 s GLN 1115CO -0.09 -0.10 0.27 -1.17 -0.55 0.00 0.00 175.29 173.66 2pn5 s LEU 1116N 1.32 5.06 -0.19 3.68 2.96 0.13 -1.09 118.68 130.55 2pn5 s LEU 1116Ca 0.04 -1.14 -0.05 0.00 -0.22 0.00 0.00 54.13 52.77 2pn5 s LEU 1116Cb -0.15 -2.07 -0.03 0.00 0.50 0.00 0.00 46.19 44.44 2pn5 s LEU 1116CO 0.02 -0.48 0.00 -0.75 -1.32 0.00 0.00 176.35 173.82 2pn5 s LYS 1117N 1.57 3.65 -0.04 1.98 2.20 0.15 -0.79 119.74 128.46 2pn5 s LYS 1117Ca 0.03 -0.51 -0.10 0.00 -0.36 0.00 0.00 55.97 55.03 2pn5 s LYS 1117Cb -0.21 -3.07 0.02 0.00 -1.51 0.00 0.00 37.83 33.06 2pn5 s LYS 1117CO 0.06 0.06 0.23 1.52 -0.36 0.00 0.00 175.35 176.87 2pn5 s TYR 1118N 0.88 -0.15 0.00 4.03 1.13 -1.12 -0.38 117.35 121.74 2pn5 s TYR 1118Ca 0.01 0.32 0.00 0.00 -1.41 0.00 0.00 57.07 55.99 2pn5 s TYR 1118Cb -0.14 0.05 0.00 0.00 -1.10 0.00 0.00 41.96 40.77 2pn5 s TYR 1118CO 0.02 -0.25 0.00 1.17 -2.51 0.00 0.00 175.55 173.98 2pn5 n LYS 1119N 2.04 0.00 0.00 -3.49 4.81 -1.26 -0.39 118.16 119.87 2pn5 n LYS 1119Ca -0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.26 2pn5 n LYS 1119Cb 0.57 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.62 2pn5 n LYS 1119CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2pn5 n LYS 1120N 0.00 4.11 -3.03 1.64 5.02 -1.26 -5.11 118.16 119.53 2pn5 n LYS 1120Ca 0.00 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.10 2pn5 n LYS 1120Cb 0.00 -0.41 0.04 0.00 -0.02 0.00 0.00 35.03 34.64 2pn5 n LYS 1120CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 2pn5 s SER 1121N -0.76 5.30 -0.21 4.39 0.01 0.47 -5.13 113.70 117.78 2pn5 s SER 1121Ca 0.00 -0.69 -0.06 0.00 1.31 0.00 0.00 55.95 56.50 2pn5 s SER 1121Cb 0.00 -0.05 0.10 0.00 0.21 0.00 0.00 66.02 66.28 2pn5 s SER 1121CO 0.00 -1.13 0.42 0.00 0.41 0.00 0.00 173.24 172.94 2pn5 s ALA 1122N -2.55 -1.18 -0.09 1.44 0.00 -1.26 -2.81 121.76 115.31 2pn5 s ALA 1122Ca 0.59 1.45 -0.02 0.00 0.00 0.00 0.00 51.96 53.99 2pn5 s ALA 1122Cb -0.07 -1.39 -0.03 0.00 0.00 0.00 0.00 23.12 21.62 2pn5 s ALA 1122CO 0.37 -0.84 -0.01 0.15 0.00 0.00 0.00 175.76 175.43 2pn5 s LYS 1123N 2.62 3.02 -0.06 0.00 -0.14 0.03 -4.94 119.74 120.27 2pn5 s LYS 1123Ca 0.00 -0.44 0.04 0.00 -1.36 0.00 0.00 55.97 54.22 2pn5 s LYS 1123Cb -0.12 -2.78 -0.02 0.00 -1.68 0.00 0.00 37.83 33.22 2pn5 s LYS 1123CO -0.13 0.65 -0.18 0.71 -0.76 0.00 0.00 175.35 175.64 2pn5 s TYR 1124N -0.75 2.60 -0.01 3.18 1.51 -1.26 0.22 117.35 122.84 2pn5 s TYR 1124Ca 0.12 -0.37 0.02 0.00 -1.01 0.00 0.00 57.07 55.83 2pn5 s TYR 1124Cb -0.11 -1.63 -0.00 0.00 -0.11 0.00 0.00 41.96 40.10 2pn5 s TYR 1124CO 0.02 0.03 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.35 2pn5 s PHE 1125N -0.47 0.72 -0.08 2.71 0.40 0.39 -5.00 117.98 116.66 2pn5 s PHE 1125Ca 0.06 -0.14 0.02 0.00 -0.60 0.00 0.00 56.93 56.26 2pn5 s PHE 1125Cb -0.12 -0.48 0.02 0.00 0.51 0.00 0.00 43.02 42.95 2pn5 s PHE 1125CO 0.01 -0.03 -0.12 0.15 0.70 0.00 0.00 175.22 175.94 2pn5 s LYS 1126N -0.11 1.75 -0.18 0.44 1.02 -1.26 0.29 119.74 121.69 2pn5 s LYS 1126Ca 0.02 -0.41 0.01 0.00 0.02 0.00 0.00 55.97 55.61 2pn5 s LYS 1126Cb -0.04 -1.52 0.03 0.00 -0.52 0.00 0.00 37.83 35.78 2pn5 s LYS 1126CO -0.00 -0.05 -0.14 0.42 -0.92 0.00 0.00 175.35 174.66 2pn5 s ILE 1127N 0.93 1.75 0.00 2.17 1.01 -0.36 -4.98 121.20 121.71 2pn5 s ILE 1127Ca -0.09 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.69 2pn5 s ILE 1127Cb -0.15 -1.68 0.00 0.00 0.01 0.00 0.00 42.46 40.64 2pn5 s ILE 1127CO 0.00 0.37 0.02 -0.46 0.00 0.00 0.00 174.94 174.87 2pn5 n ASN 1128N 4.69 0.04 -4.94 3.58 2.04 -1.25 -0.27 115.26 119.15 2pn5 n ASN 1128Ca -0.17 -0.32 -0.25 0.00 -0.44 0.00 0.00 54.58 53.40 2pn5 n ASN 1128Cb 0.49 0.51 -0.02 0.00 -2.53 0.00 0.00 39.78 38.22 2pn5 n ASN 1128CO 0.00 0.00 0.00 -0.94 -0.44 0.00 0.00 177.26 175.88 2pn5 s SER 1129N -0.51 6.34 -0.12 0.53 1.04 -1.24 -4.63 113.70 115.11 2pn5 s SER 1129Ca 0.00 0.39 0.09 0.00 0.48 0.00 0.00 55.95 56.91 2pn5 s SER 1129Cb 0.00 -2.00 -0.23 0.00 0.10 0.00 0.00 66.02 63.88 2pn5 s SER 1129CO 0.00 -0.16 0.35 1.21 0.98 0.00 0.00 173.24 175.62 2pn5 n GLU 1130N -1.24 0.67 -0.26 4.02 2.13 -1.26 -4.24 120.64 120.46 2pn5 n GLU 1130Ca -0.05 0.19 -0.02 0.00 0.66 0.00 0.00 57.16 57.94 2pn5 n GLU 1130Cb 0.55 -1.67 0.07 0.00 0.27 0.00 0.00 31.44 30.66 2pn5 n GLU 1130CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 2pn5 n GLN 1131N -3.07 1.65 -2.31 5.31 6.02 -1.26 -4.80 117.38 118.93 2pn5 n GLN 1131Ca -0.27 -0.77 -0.38 0.00 -0.01 0.00 0.00 57.00 55.57 2pn5 n GLN 1131Cb 1.07 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.82 2pn5 n GLN 1131CO 0.00 0.00 0.00 0.96 -1.01 0.00 0.00 177.06 177.01 2pn5 s ILE 1132N -1.14 3.19 0.16 5.09 -4.36 -1.26 -4.81 121.20 118.07 2pn5 s ILE 1132Ca 0.14 0.96 0.00 0.00 -0.26 0.00 0.00 60.65 61.49 2pn5 s ILE 1132Cb 0.11 -3.53 0.00 0.00 1.25 0.00 0.00 42.46 40.30 2pn5 s ILE 1132CO 0.03 0.06 0.00 -0.67 0.24 0.00 0.00 174.94 174.60 2pn5 n ASP 1133N -0.07 -1.41 -3.53 4.36 -0.08 -1.26 -4.90 116.55 109.66 2pn5 n ASP 1133Ca 0.05 0.54 -0.39 0.00 -1.51 0.00 0.00 54.79 53.48 2pn5 n ASP 1133Cb 0.47 1.58 -0.02 0.00 2.34 0.00 0.00 41.12 45.49 2pn5 n ASP 1133CO 0.00 0.00 0.00 0.52 0.12 0.00 0.00 177.20 177.84 2pn5 n VAL 1134N -2.99 3.28 -3.87 5.18 0.31 -1.26 -4.64 118.33 114.34 2pn5 n VAL 1134Ca 0.00 -2.46 -0.20 0.00 -0.01 0.00 0.00 64.34 61.67 2pn5 n VAL 1134Cb 0.00 -2.51 -0.17 0.00 -0.91 0.00 0.00 33.84 30.25 2pn5 n VAL 1134CO 0.00 0.00 0.00 -1.61 -1.32 0.00 0.00 176.83 173.90 2pn5 s GLU 1135N 3.26 0.49 0.01 5.55 0.41 -1.26 -5.13 118.70 122.03 2pn5 s GLU 1135Ca 0.54 0.09 -0.20 0.00 -0.41 0.00 0.00 54.97 54.99 2pn5 s GLU 1135Cb 0.15 -0.76 -0.06 0.00 -1.78 0.00 0.00 34.13 31.68 2pn5 s GLU 1135CO -0.04 -0.22 0.57 -0.80 -0.49 0.00 0.00 175.26 174.28 2pn5 s ASN 1136N 1.54 6.98 -0.29 -0.19 0.01 -1.26 -4.89 114.94 116.83 2pn5 s ASN 1136Ca -0.02 1.16 0.20 0.00 -0.71 0.00 0.00 52.86 53.50 2pn5 s ASN 1136Cb -0.13 -2.35 0.48 0.00 0.41 0.00 0.00 41.25 39.66 2pn5 s ASN 1136CO -0.03 0.16 1.04 0.49 -1.51 0.00 0.00 177.10 177.26 2pn5 n PHE 1137N 2.41 1.09 -1.72 2.20 3.01 -1.25 -5.07 117.46 118.13 2pn5 n PHE 1137Ca -0.08 -2.45 -0.34 0.00 1.01 0.00 0.00 57.45 55.59 2pn5 n PHE 1137Cb 0.51 -0.25 0.06 0.00 -0.01 0.00 0.00 39.48 39.79 2pn5 n PHE 1137CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2pn5 s VAL 1138N -3.34 2.76 -0.09 -4.37 0.11 -1.26 -2.86 120.40 111.34 2pn5 s VAL 1138Ca 0.27 0.39 -0.30 0.00 -2.93 0.00 0.00 61.98 59.41 2pn5 s VAL 1138Cb 0.39 -2.98 0.07 0.00 -1.53 0.00 0.00 36.38 32.34 2pn5 s VAL 1138CO -0.00 -0.18 0.70 -0.62 -3.33 0.00 0.00 175.10 171.67 2pn5 s ASP 1139N -2.12 -0.66 -0.66 3.54 2.15 0.04 -4.98 116.67 113.98 2pn5 s ASP 1139Ca 0.72 0.83 -0.03 0.00 0.43 0.00 0.00 52.55 54.50 2pn5 s ASP 1139Cb -0.26 0.69 0.17 0.00 -0.30 0.00 0.00 42.92 43.22 2pn5 s ASP 1139CO 0.40 -0.54 0.49 -0.63 -0.17 0.00 0.00 175.17 174.72 2pn5 s ILE 1140N -0.91 3.88 0.39 4.11 -1.09 -1.26 -0.34 121.20 125.98 2pn5 s ILE 1140Ca -0.09 -3.01 -0.27 0.00 -2.23 0.00 0.00 60.65 55.05 2pn5 s ILE 1140Cb -0.01 -3.51 -0.11 0.00 -1.58 0.00 0.00 42.46 37.25 2pn5 s ILE 1140CO 0.08 -0.90 1.46 -2.65 -1.23 0.00 0.00 174.94 171.70 2pn5 n PRO 1141N 3.42 2.56 0.00 2.79 -0.02 -1.20 -4.99 135.00 137.55 2pn5 n PRO 1141Ca 0.09 0.90 0.00 0.00 -2.02 0.00 0.00 63.50 62.47 2pn5 n PRO 1141Cb 0.38 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.23 2pn5 n PRO 1141CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2pn5 n GLU 1142N 0.33 0.78 -2.37 -0.52 -0.58 -1.26 -4.35 120.64 112.67 2pn5 n GLU 1142Ca 0.02 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.40 2pn5 n GLU 1142Cb 0.39 0.00 -0.03 0.00 -0.57 0.00 0.00 31.44 31.23 2pn5 n GLU 1142CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 2pn5 s ASP 1143N -1.04 6.02 0.38 1.62 1.01 -1.26 -4.84 116.67 118.56 2pn5 s ASP 1143Ca 0.00 -1.43 0.05 0.00 0.71 0.00 0.00 52.55 51.88 2pn5 s ASP 1143Cb 0.00 -2.57 -0.07 0.00 1.01 0.00 0.00 42.92 41.29 2pn5 s ASP 1143CO 0.00 -1.97 0.04 0.42 0.21 0.00 0.00 175.17 173.87 2pn5 s THR 1144N 6.93 1.53 -0.23 -1.27 -4.23 -1.26 -5.10 115.64 112.01 2pn5 s THR 1144Ca 0.56 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 59.02 2pn5 s THR 1144Cb -0.01 -2.83 -0.18 0.00 1.34 0.00 0.00 72.50 70.82 2pn5 s THR 1144CO -0.02 0.00 -0.11 0.29 -0.54 0.00 0.00 174.62 174.24 2pn5 n LYS 1145N -0.86 0.65 -4.48 3.99 5.02 -1.26 -4.85 118.16 116.38 2pn5 n LYS 1145Ca -0.05 0.24 -0.23 0.00 -2.02 0.00 0.00 58.31 56.25 2pn5 n LYS 1145Cb 0.67 -1.57 -0.10 0.00 -0.02 0.00 0.00 35.03 34.01 2pn5 n LYS 1145CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2pn5 s LYS 1146N -2.51 1.71 -0.19 1.97 1.02 -1.26 -2.85 119.74 117.63 2pn5 s LYS 1146Ca -0.33 -1.97 -0.18 0.00 0.02 0.00 0.00 55.97 53.52 2pn5 s LYS 1146Cb 0.10 -0.90 0.05 0.00 -0.52 0.00 0.00 37.83 36.56 2pn5 s LYS 1146CO 0.61 -0.22 0.52 -1.17 -0.92 0.00 0.00 175.35 174.16 2pn5 s LEU 1147N -3.52 0.00 -0.10 3.17 0.20 -0.43 -4.58 118.68 113.41 2pn5 s LEU 1147Ca 0.34 1.04 0.00 0.00 0.69 0.00 0.00 54.13 56.21 2pn5 s LEU 1147Cb 0.08 1.77 0.02 0.00 -0.43 0.00 0.00 46.19 47.63 2pn5 s LEU 1147CO 0.15 -0.18 -0.08 -0.70 -0.29 0.00 0.00 176.35 175.25 2pn5 s GLU 1148N 0.34 1.51 -0.24 1.98 2.12 0.49 -0.46 118.70 124.43 2pn5 s GLU 1148Ca -0.01 -0.26 0.00 0.00 0.36 0.00 0.00 54.97 55.06 2pn5 s GLU 1148Cb -0.04 -1.51 0.04 0.00 0.26 0.00 0.00 34.13 32.88 2pn5 s GLU 1148CO -0.00 -0.21 -0.10 0.42 -0.54 0.00 0.00 175.26 174.83 2pn5 s ILE 1149N 1.51 2.52 -0.31 -3.70 1.01 0.39 0.34 121.20 122.97 2pn5 s ILE 1149Ca 0.01 -1.22 -0.10 0.00 0.00 0.00 0.00 60.65 59.34 2pn5 s ILE 1149Cb -0.13 -2.31 -0.01 0.00 0.01 0.00 0.00 42.46 40.01 2pn5 s ILE 1149CO -0.06 0.17 0.16 0.20 0.00 0.00 0.00 174.94 175.41 2pn5 s ASN 1150N 1.25 5.60 -0.10 3.58 0.01 -0.25 0.57 114.94 125.60 2pn5 s ASN 1150Ca -0.02 -0.48 -0.04 0.00 -0.71 0.00 0.00 52.86 51.60 2pn5 s ASN 1150Cb -0.17 -2.02 -0.04 0.00 0.41 0.00 0.00 41.25 39.43 2pn5 s ASN 1150CO -0.06 -0.19 0.07 -0.69 -1.51 0.00 0.00 177.10 174.72 2pn5 s VAL 1151N 1.63 4.88 -0.15 1.60 1.01 0.13 -0.92 120.40 128.58 2pn5 s VAL 1151Ca 0.05 -0.03 -0.08 0.00 0.00 0.00 0.00 61.98 61.92 2pn5 s VAL 1151Cb -0.17 -3.09 0.06 0.00 0.00 0.00 0.00 36.38 33.18 2pn5 s VAL 1151CO 0.07 0.61 0.36 -0.83 0.00 0.00 0.00 175.10 175.30 2pn5 s GLY 1152N -0.92 -0.26 0.00 4.51 0.00 -0.65 -0.17 107.32 109.83 2pn5 s GLY 1152Ca 0.14 1.35 0.00 0.00 0.00 0.00 0.00 44.72 46.20 2pn5 s GLY 1152CO 0.03 1.61 0.00 0.61 0.00 0.00 0.00 173.10 175.35 2pn5 n GLY 1153N 4.36 0.55 3.05 0.20 0.00 -0.11 -0.36 105.19 112.88 2pn5 n GLY 1153Ca -0.23 -1.07 -0.13 0.00 0.00 0.00 0.00 46.02 44.60 2pn5 n GLY 1153CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2pn5 s ILE 1154N -0.86 -0.02 -2.74 -0.61 1.01 0.67 -1.17 121.20 117.47 2pn5 s ILE 1154Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.74 2pn5 s ILE 1154Cb 0.00 -0.32 0.00 0.00 0.01 0.00 0.00 42.46 42.15 2pn5 s ILE 1154CO 0.00 0.04 0.00 0.61 0.00 0.00 0.00 174.94 175.59 2pn5 n GLY 1155N 3.66 0.77 3.24 6.18 0.00 -0.80 0.12 105.19 118.36 2pn5 n GLY 1155Ca -0.20 -2.07 -0.29 0.00 0.00 0.00 0.00 46.02 43.47 2pn5 n GLY 1155CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2pn5 s PHE 1156N -1.58 2.03 0.10 1.61 5.36 -1.26 -0.67 117.98 123.56 2pn5 s PHE 1156Ca 0.00 -0.42 -0.25 0.00 -0.96 0.00 0.00 56.93 55.30 2pn5 s PHE 1156Cb 0.00 -1.31 0.07 0.00 -0.34 0.00 0.00 43.02 41.44 2pn5 s PHE 1156CO 0.00 -0.06 0.65 0.20 -1.46 0.00 0.00 175.22 174.55 2pn5 s GLY 1157N -0.45 -0.59 -0.12 13.12 0.00 -0.88 -4.70 107.32 113.70 2pn5 s GLY 1157Ca 0.07 0.73 0.01 0.00 0.00 0.00 0.00 44.72 45.53 2pn5 s GLY 1157CO -0.00 0.34 -0.17 1.08 0.00 0.00 0.00 173.10 174.35 2pn5 s LEU 1158N -2.40 2.45 -0.34 0.66 1.43 0.75 -1.52 118.68 119.71 2pn5 s LEU 1158Ca -0.01 -0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 52.61 2pn5 s LEU 1158Cb -0.01 -1.53 0.05 0.00 0.03 0.00 0.00 46.19 44.73 2pn5 s LEU 1158CO -0.08 0.15 0.10 -0.76 0.23 0.00 0.00 176.35 175.99 2pn5 s LEU 1159N 0.41 4.37 -0.02 1.79 1.43 0.74 -1.75 118.68 125.66 2pn5 s LEU 1159Ca -0.13 -1.29 0.06 0.00 -1.03 0.00 0.00 54.13 51.74 2pn5 s LEU 1159Cb -0.17 -1.83 -0.02 0.00 0.03 0.00 0.00 46.19 44.20 2pn5 s LEU 1159CO 0.06 -0.35 -0.21 -1.61 0.23 0.00 0.00 176.35 174.48 2pn5 s GLU 1160N 1.34 2.24 -0.11 1.70 2.02 0.06 -1.35 118.70 124.61 2pn5 s GLU 1160Ca -0.01 -0.86 0.03 0.00 0.02 0.00 0.00 54.97 54.15 2pn5 s GLU 1160Cb -0.20 -2.18 -0.00 0.00 0.10 0.00 0.00 34.13 31.84 2pn5 s GLU 1160CO 0.01 0.58 -0.22 0.08 0.02 0.00 0.00 175.26 175.73 2pn5 s VAL 1161N -0.71 2.24 -0.17 2.63 1.01 0.40 -0.36 120.40 125.44 2pn5 s VAL 1161Ca 0.11 -0.95 -0.01 0.00 0.00 0.00 0.00 61.98 61.13 2pn5 s VAL 1161Cb -0.10 -1.88 -0.01 0.00 0.00 0.00 0.00 36.38 34.40 2pn5 s VAL 1161CO 0.00 0.55 -0.11 -0.69 0.00 0.00 0.00 175.10 174.85 2pn5 s VAL 1162N 0.39 2.97 -0.13 2.92 1.01 0.62 -1.10 120.40 127.06 2pn5 s VAL 1162Ca -0.17 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.11 2pn5 s VAL 1162Cb -0.17 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.89 2pn5 s VAL 1162CO 0.07 0.49 0.02 -0.31 0.00 0.00 0.00 175.10 175.38 2pn5 s TYR 1163N 0.91 3.19 -0.72 5.22 1.51 0.19 -1.19 117.35 126.45 2pn5 s TYR 1163Ca -0.02 0.07 0.04 0.00 -1.01 0.00 0.00 57.07 56.15 2pn5 s TYR 1163Cb -0.15 -1.92 0.22 0.00 -0.11 0.00 0.00 41.96 39.99 2pn5 s TYR 1163CO -0.01 0.28 0.69 1.04 -1.11 0.00 0.00 175.55 176.44 2pn5 n GLN 1164N 2.86 2.36 -1.78 -0.62 1.13 0.43 -2.27 117.38 119.49 2pn5 n GLN 1164Ca -0.18 -4.57 -0.37 0.00 -1.94 0.00 0.00 57.00 49.94 2pn5 n GLN 1164Cb 0.53 -2.30 0.06 0.00 0.11 0.00 0.00 30.24 28.63 2pn5 n GLN 1164CO 0.00 0.00 0.00 -0.06 -1.44 0.00 0.00 177.06 175.56 2pn5 s PHE 1165N -1.95 2.15 -0.47 1.08 0.08 -1.26 -3.13 117.98 114.49 2pn5 s PHE 1165Ca 0.32 1.46 0.08 0.00 0.12 0.00 0.00 56.93 58.91 2pn5 s PHE 1165Cb 0.04 -3.70 0.39 0.00 -0.57 0.00 0.00 43.02 39.18 2pn5 s PHE 1165CO -0.09 -2.85 0.99 0.09 -0.10 0.00 0.00 175.22 173.26 2pn5 n ASN 1166N -1.69 3.74 -4.73 1.36 3.02 -1.25 -4.48 115.26 111.23 2pn5 n ASN 1166Ca 0.15 -3.49 -0.37 0.00 -0.03 0.00 0.00 54.58 50.83 2pn5 n ASN 1166Cb 0.48 -0.52 0.06 0.00 -0.61 0.00 0.00 39.78 39.19 2pn5 n ASN 1166CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2pn5 n LEU 1167N -0.25 5.87 -4.66 3.41 4.32 -1.26 -4.13 117.00 120.29 2pn5 n LEU 1167Ca 0.31 0.85 -0.37 0.00 -0.02 0.00 0.00 56.01 56.77 2pn5 n LEU 1167Cb 0.58 -1.55 0.06 0.00 -1.62 0.00 0.00 43.42 40.89 2pn5 n LEU 1167CO 0.31 -0.96 0.70 -3.20 -1.22 0.00 0.00 177.39 173.02 2pn5 n ASN 1168N -1.70 1.34 -4.55 -1.43 2.85 -1.23 -4.43 115.26 106.10 2pn5 n ASN 1168Ca 0.15 0.81 -0.43 0.00 -0.11 0.00 0.00 54.58 55.01 2pn5 n ASN 1168Cb 0.47 -1.46 -0.05 0.00 1.24 0.00 0.00 39.78 39.98 2pn5 n ASN 1168CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 2pn5 s LEU 1169N -3.04 4.22 0.02 1.20 2.96 -1.26 -4.90 118.68 117.88 2pn5 s LEU 1169Ca 0.79 -0.00 0.01 0.00 -0.22 0.00 0.00 54.13 54.70 2pn5 s LEU 1169Cb -0.40 -2.97 -0.01 0.00 0.50 0.00 0.00 46.19 43.30 2pn5 s LEU 1169CO 0.44 -0.87 -0.03 -0.69 -1.32 0.00 0.00 176.35 173.88 2pn5 s VAL 1170N 3.24 0.19 0.37 1.68 1.01 -1.26 -5.01 120.40 120.62 2pn5 s VAL 1170Ca 0.30 -0.65 -0.28 0.00 0.00 0.00 0.00 61.98 61.34 2pn5 s VAL 1170Cb -0.12 -0.27 -0.11 0.00 0.00 0.00 0.00 36.38 35.88 2pn5 s VAL 1170CO 0.21 -0.30 1.50 0.20 0.00 0.00 0.00 175.10 176.71 2pn5 s ASN 1171N -1.00 6.34 -0.05 3.32 -0.87 -1.26 -4.82 114.94 116.60 2pn5 s ASN 1171Ca -0.09 3.05 -0.26 0.00 -1.57 0.00 0.00 52.86 53.99 2pn5 s ASN 1171Cb -0.07 -2.67 0.06 0.00 -0.02 0.00 0.00 41.25 38.55 2pn5 s ASN 1171CO -0.00 -0.88 0.56 0.12 -2.57 0.00 0.00 177.10 174.33 2pn5 s PHE 1172N -1.05 -0.51 -0.20 2.20 5.36 -0.60 -4.99 117.98 118.18 2pn5 s PHE 1172Ca 0.53 0.89 -0.14 0.00 -0.96 0.00 0.00 56.93 57.25 2pn5 s PHE 1172Cb -0.47 0.31 0.06 0.00 -0.34 0.00 0.00 43.02 42.58 2pn5 s PHE 1172CO 0.62 -0.53 0.50 -1.83 -1.46 0.00 0.00 175.22 172.53 2pn5 s GLU 1173N -1.16 0.54 -0.28 10.12 -1.05 -1.26 -0.72 118.70 124.89 2pn5 s GLU 1173Ca -0.11 0.83 -0.03 0.00 -0.15 0.00 0.00 54.97 55.50 2pn5 s GLU 1173Cb -0.02 0.14 0.10 0.00 -0.44 0.00 0.00 34.13 33.91 2pn5 s GLU 1173CO 0.08 -0.12 0.12 1.21 0.95 0.00 0.00 175.26 177.50 2pn5 s ASN 1174N 0.94 3.56 -0.02 0.83 2.47 0.10 -4.86 114.94 117.96 2pn5 s ASN 1174Ca -0.05 -1.31 0.00 0.00 0.42 0.00 0.00 52.86 51.92 2pn5 s ASN 1174Cb -0.06 -0.47 0.00 0.00 -1.45 0.00 0.00 41.25 39.27 2pn5 s ASN 1174CO -0.08 -0.42 0.00 0.54 -3.72 0.00 0.00 177.10 173.42 2pn5 n ARG 1175N 5.15 -0.33 -4.04 0.43 5.12 -1.26 -1.52 116.66 120.21 2pn5 n ARG 1175Ca -0.05 0.11 -0.12 0.00 -1.93 0.00 0.00 57.85 55.85 2pn5 n ARG 1175Cb 0.43 -3.37 -0.11 0.00 -1.16 0.00 0.00 32.46 28.24 2pn5 n ARG 1175CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2pn5 s PHE 1176N -1.85 0.56 -0.11 -1.55 0.40 -1.26 -1.53 117.98 112.65 2pn5 s PHE 1176Ca 0.00 -0.49 0.01 0.00 -0.60 0.00 0.00 56.93 55.86 2pn5 s PHE 1176Cb 0.00 -0.35 -0.02 0.00 0.51 0.00 0.00 43.02 43.17 2pn5 s PHE 1176CO 0.00 -0.10 -0.15 -1.14 0.70 0.00 0.00 175.22 174.53 2pn5 s GLN 1177N -1.48 3.12 -0.06 0.44 0.74 0.37 -4.75 119.66 118.04 2pn5 s GLN 1177Ca -0.11 -0.71 -0.01 0.00 0.05 0.00 0.00 55.36 54.58 2pn5 s GLN 1177Cb -0.10 -2.53 0.03 0.00 1.10 0.00 0.00 33.01 31.51 2pn5 s GLN 1177CO 0.00 0.32 0.01 -1.17 -0.55 0.00 0.00 175.29 173.90 2pn5 s LEU 1178N 0.06 0.58 -0.07 3.68 2.96 -1.26 -1.38 118.68 123.26 2pn5 s LEU 1178Ca -0.06 -0.04 0.04 0.00 -0.22 0.00 0.00 54.13 53.86 2pn5 s LEU 1178Cb -0.15 -0.34 -0.00 0.00 0.50 0.00 0.00 46.19 46.20 2pn5 s LEU 1178CO 0.05 -0.19 -0.21 -1.81 -1.32 0.00 0.00 176.35 172.87 2pn5 s ASP 1179N 1.85 2.63 0.01 3.68 1.01 -0.16 -4.87 116.67 120.82 2pn5 s ASP 1179Ca 0.02 -0.45 0.04 0.00 0.71 0.00 0.00 52.55 52.88 2pn5 s ASP 1179Cb -0.12 -0.96 -0.03 0.00 1.01 0.00 0.00 42.92 42.81 2pn5 s ASP 1179CO -0.04 0.16 -0.10 -0.76 0.21 0.00 0.00 175.17 174.63 2pn5 s LEU 1180N 0.19 2.98 -0.10 1.23 1.43 -1.26 -1.66 118.68 121.48 2pn5 s LEU 1180Ca -0.11 -0.23 -0.08 0.00 -1.03 0.00 0.00 54.13 52.69 2pn5 s LEU 1180Cb -0.15 -1.71 0.03 0.00 0.03 0.00 0.00 46.19 44.39 2pn5 s LEU 1180CO 0.05 0.28 0.26 -1.83 0.23 0.00 0.00 176.35 175.34 2pn5 s GLU 1181N -1.37 0.28 -0.07 1.70 -1.05 -0.53 -4.98 118.70 112.67 2pn5 s GLU 1181Ca 0.16 0.42 -0.26 0.00 -0.15 0.00 0.00 54.97 55.13 2pn5 s GLU 1181Cb -0.11 0.07 -0.03 0.00 -0.44 0.00 0.00 34.13 33.62 2pn5 s GLU 1181CO 0.06 -0.07 0.85 0.15 0.95 0.00 0.00 175.26 177.20 2pn5 s LYS 1182N 0.48 4.45 0.27 -4.83 1.02 -1.26 0.23 119.74 120.10 2pn5 s LYS 1182Ca -0.03 1.13 -0.05 0.00 0.02 0.00 0.00 55.97 57.04 2pn5 s LYS 1182Cb -0.04 -3.48 -0.05 0.00 -0.52 0.00 0.00 37.83 33.73 2pn5 s LYS 1182CO -0.02 -0.08 0.54 -0.65 -0.92 0.00 0.00 175.35 174.21 2pn5 s GLN 1183N 1.24 3.64 -0.40 1.68 -0.21 0.54 -4.96 119.66 121.19 2pn5 s GLN 1183Ca 0.43 0.01 -0.27 0.00 0.02 0.00 0.00 55.36 55.54 2pn5 s GLN 1183Cb -0.19 -2.67 0.02 0.00 1.00 0.00 0.00 33.01 31.18 2pn5 s GLN 1183CO 0.20 0.25 1.03 1.21 -2.12 0.00 0.00 175.29 175.85 2pn5 s ASN 1184N -3.06 6.70 0.01 5.90 3.84 -1.26 -4.47 114.94 122.60 2pn5 s ASN 1184Ca 0.44 0.59 0.17 0.00 0.21 0.00 0.00 52.86 54.26 2pn5 s ASN 1184Cb -0.11 -2.51 -0.17 0.00 -0.55 0.00 0.00 41.25 37.91 2pn5 s ASN 1184CO 0.29 -1.01 0.69 0.35 -2.79 0.00 0.00 177.10 174.63 2pn5 n THR 1185N 6.28 1.20 -0.90 -5.21 -2.24 -1.26 -4.97 114.28 107.17 2pn5 n THR 1185Ca 0.10 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.16 2pn5 n THR 1185Cb 0.48 -0.71 0.00 0.00 -2.10 0.00 0.00 70.33 68.01 2pn5 n THR 1185CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2pn5 n GLY 1186N 1.45 0.87 3.03 3.38 0.00 -1.26 -5.02 105.19 107.64 2pn5 n GLY 1186Ca -0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 2pn5 n GLY 1186CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2pn5 s SER 1187N -2.79 1.29 0.50 1.61 0.15 -1.26 -5.02 113.70 108.18 2pn5 s SER 1187Ca 0.00 -0.20 0.33 0.00 0.70 0.00 0.00 55.95 56.78 2pn5 s SER 1187Cb 0.00 -0.26 1.53 0.00 -1.71 0.00 0.00 66.02 65.58 2pn5 s SER 1187CO 0.00 0.10 2.00 0.44 1.20 0.00 0.00 173.24 176.98 2pn5 h ASP 1188N 6.16 0.00 0.04 5.45 3.32 -2.00 -3.12 116.42 126.27 2pn5 h ASP 1188Ca -0.33 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.72 2pn5 h ASP 1188Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 2pn5 h ASP 1188CO 0.49 0.00 -0.20 -1.22 -1.72 0.00 0.00 179.24 176.59 2pn5 n TYR 1189N -2.84 0.00 -5.14 4.55 4.02 -1.26 -4.86 117.16 111.63 2pn5 n TYR 1189Ca -0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 57.90 57.57 2pn5 n TYR 1189Cb 0.21 -0.03 -0.16 0.00 -0.02 0.00 0.00 39.34 39.34 2pn5 n TYR 1189CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 176.86 173.85 2pn5 s GLU 1190N -2.26 2.76 -0.17 -0.72 2.12 -1.18 0.07 118.70 119.32 2pn5 s GLU 1190Ca 0.27 -0.84 0.01 0.00 0.36 0.00 0.00 54.97 54.76 2pn5 s GLU 1190Cb 0.19 -2.28 0.01 0.00 0.26 0.00 0.00 34.13 32.31 2pn5 s GLU 1190CO 0.44 0.35 -0.18 -1.17 -0.54 0.00 0.00 175.26 174.16 2pn5 s LEU 1191N -0.06 2.28 -0.32 2.70 2.96 0.08 -4.77 118.68 121.55 2pn5 s LEU 1191Ca -0.06 -0.58 -0.01 0.00 -0.22 0.00 0.00 54.13 53.27 2pn5 s LEU 1191Cb -0.14 -1.52 0.06 0.00 0.50 0.00 0.00 46.19 45.09 2pn5 s LEU 1191CO 0.05 0.03 0.03 -0.13 -1.32 0.00 0.00 176.35 175.00 2pn5 s ARG 1192N 1.12 2.26 -0.30 1.98 0.52 -1.26 -0.83 118.95 122.44 2pn5 s ARG 1192Ca 0.01 -1.42 -0.08 0.00 -0.52 0.00 0.00 55.73 53.72 2pn5 s ARG 1192Cb -0.14 -3.22 -0.00 0.00 0.52 0.00 0.00 34.95 32.10 2pn5 s ARG 1192CO -0.07 -0.72 0.12 -1.17 0.02 0.00 0.00 175.30 173.48 2pn5 s LEU 1193N 1.19 3.95 -0.18 2.53 2.96 -0.32 -0.34 118.68 128.48 2pn5 s LEU 1193Ca -0.02 -0.57 -0.26 0.00 -0.22 0.00 0.00 54.13 53.06 2pn5 s LEU 1193Cb -0.20 -1.95 -0.01 0.00 0.50 0.00 0.00 46.19 44.53 2pn5 s LEU 1193CO -0.03 -0.18 0.88 -0.75 -1.32 0.00 0.00 176.35 174.95 2pn5 s LYS 1194N 1.57 4.30 -0.12 1.98 2.20 0.14 -1.04 119.74 128.76 2pn5 s LYS 1194Ca 0.04 1.09 0.00 0.00 -0.36 0.00 0.00 55.97 56.75 2pn5 s LYS 1194Cb -0.17 -3.59 -0.02 0.00 -1.51 0.00 0.00 37.83 32.55 2pn5 s LYS 1194CO 0.04 -0.38 -0.13 0.08 -0.36 0.00 0.00 175.35 174.60 2pn5 s VAL 1195N 2.33 3.04 -0.05 4.02 1.01 0.06 -1.45 120.40 129.35 2pn5 s VAL 1195Ca 0.40 -0.67 0.02 0.00 0.00 0.00 0.00 61.98 61.72 2pn5 s VAL 1195Cb -0.16 -2.26 0.01 0.00 0.00 0.00 0.00 36.38 33.96 2pn5 s VAL 1195CO 0.12 0.53 -0.10 0.00 0.00 0.00 0.00 175.10 175.65 2pn5 s ALA 1197N 0.61 1.04 0.01 0.00 0.00 -0.38 -0.99 121.76 122.04 2pn5 s ALA 1197Ca -0.11 -0.89 -0.20 0.00 0.00 0.00 0.00 51.96 50.76 2pn5 s ALA 1197Cb -0.14 -0.09 0.04 0.00 0.00 0.00 0.00 23.12 22.93 2pn5 s ALA 1197CO 0.02 0.14 0.45 -1.54 0.00 0.00 0.00 175.76 174.84 2pn5 s SER 1198N -1.50 -0.36 0.31 0.00 1.04 -0.48 -0.55 113.70 112.15 2pn5 s SER 1198Ca -0.02 0.19 -0.20 0.00 0.48 0.00 0.00 55.95 56.40 2pn5 s SER 1198Cb -0.09 0.43 -0.09 0.00 0.10 0.00 0.00 66.02 66.36 2pn5 s SER 1198CO 0.02 -0.60 0.81 -0.47 0.98 0.00 0.00 173.24 173.98 2pn5 s TYR 1199N -1.90 3.53 -0.65 5.02 5.04 0.76 -0.48 117.35 128.67 2pn5 s TYR 1199Ca -0.09 1.46 -0.17 0.00 -2.44 0.00 0.00 57.07 55.84 2pn5 s TYR 1199Cb -0.02 -2.70 0.14 0.00 0.35 0.00 0.00 41.96 39.73 2pn5 s TYR 1199CO 0.02 0.17 0.67 0.42 -1.34 0.00 0.00 175.55 175.49 2pn5 s ILE 1200N -1.78 5.13 0.39 3.14 1.01 -0.58 -3.56 121.20 124.95 2pn5 s ILE 1200Ca 0.51 -1.54 -0.26 0.00 0.00 0.00 0.00 60.65 59.36 2pn5 s ILE 1200Cb -0.14 -4.45 -0.09 0.00 0.01 0.00 0.00 42.46 37.79 2pn5 s ILE 1200CO 0.19 -1.04 1.21 -2.16 0.00 0.00 0.00 174.94 173.14 2pn5 s PRO 1201N 1.73 4.07 -0.04 2.79 0.04 -1.26 -4.92 135.00 137.42 2pn5 s PRO 1201Ca 0.11 1.94 -0.01 0.00 0.04 0.00 0.00 61.00 63.08 2pn5 s PRO 1201Cb -0.22 -2.74 0.03 0.00 0.04 0.00 0.00 34.50 31.61 2pn5 s PRO 1201CO 0.01 -0.33 0.07 1.14 0.04 0.00 0.00 177.00 177.92 2pn5 s GLN 1202N -2.22 -0.00 3.36 4.56 -2.07 -0.56 -4.98 119.66 117.74 2pn5 s GLN 1202Ca 0.56 0.27 0.00 0.00 -1.82 0.00 0.00 55.36 54.37 2pn5 s GLN 1202Cb -0.33 -0.25 0.00 0.00 -1.09 0.00 0.00 33.01 31.34 2pn5 s GLN 1202CO 0.42 -0.18 0.00 1.28 -1.32 0.00 0.00 175.29 175.49 2pn5 n LEU 1203N 4.31 0.00 0.03 2.60 4.77 -1.26 -1.18 117.00 126.27 2pn5 n LEU 1203Ca -0.25 0.00 0.09 0.00 -0.03 0.00 0.00 56.01 55.82 2pn5 n LEU 1203Cb 0.50 0.00 0.40 0.00 -2.33 0.00 0.00 43.42 42.00 2pn5 n LEU 1203CO 0.19 0.00 0.80 1.07 -1.33 0.00 0.00 177.39 178.12 2pn5 n THR 1204N 0.00 0.78 -2.80 -5.08 5.66 -1.26 -4.44 114.28 107.14 2pn5 n THR 1204Ca 0.00 0.18 -0.43 0.00 -3.05 0.00 0.00 64.05 60.74 2pn5 n THR 1204Cb 0.00 -0.93 -0.01 0.00 -1.55 0.00 0.00 70.33 67.84 2pn5 n THR 1204CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2pn5 s ASP 1205N -3.35 6.85 -0.07 1.09 -1.08 -0.32 -4.80 116.67 114.99 2pn5 s ASP 1205Ca 0.08 -2.47 0.07 0.00 -0.52 0.00 0.00 52.55 49.71 2pn5 s ASP 1205Cb 0.11 -2.47 -0.24 0.00 -1.46 0.00 0.00 42.92 38.86 2pn5 s ASP 1205CO 0.35 -1.01 0.55 0.54 0.52 0.00 0.00 175.17 176.12 2pn5 n ARG 1206N 6.93 0.67 -4.33 4.34 5.12 -1.26 -1.50 116.66 126.63 2pn5 n ARG 1206Ca 0.37 0.28 -0.21 0.00 -1.93 0.00 0.00 57.85 56.36 2pn5 n ARG 1206Cb 0.46 -1.76 -0.11 0.00 -1.16 0.00 0.00 32.46 29.89 2pn5 n ARG 1206CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2pn5 s ARG 1207N -2.58 1.27 0.96 5.56 1.81 -1.26 -4.41 118.95 120.29 2pn5 s ARG 1207Ca -0.10 -1.44 -0.16 0.00 -1.72 0.00 0.00 55.73 52.31 2pn5 s ARG 1207Cb 0.08 -1.25 0.20 0.00 -0.45 0.00 0.00 34.95 33.53 2pn5 s ARG 1207CO 0.81 0.24 1.32 -1.54 -0.68 0.00 0.00 175.30 175.45 2pn5 s SER 1208N -2.81 3.08 0.79 0.23 1.04 0.14 -4.91 113.70 111.27 2pn5 s SER 1208Ca 0.17 0.20 0.00 0.00 0.48 0.00 0.00 55.95 56.80 2pn5 s SER 1208Cb -0.05 -0.23 0.00 0.00 0.10 0.00 0.00 66.02 65.84 2pn5 s SER 1208CO 0.06 -2.75 0.00 0.59 0.98 0.00 0.00 173.24 172.13 2pn5 n ASN 1209N -3.75 -0.51 -4.61 7.02 3.02 -1.26 -4.34 115.26 110.82 2pn5 n ASN 1209Ca 0.16 -0.54 -0.49 0.00 -0.03 0.00 0.00 54.58 53.68 2pn5 n ASN 1209Cb 0.59 0.00 -0.04 0.00 -0.61 0.00 0.00 39.78 39.72 2pn5 n ASN 1209CO 0.00 0.00 0.00 0.80 -2.62 0.00 0.00 177.26 175.44 2pn5 n MET 1210N -1.04 1.45 -5.06 3.52 0.00 0.12 -4.02 117.12 112.09 2pn5 n MET 1210Ca 0.00 0.52 -0.28 0.00 -0.00 0.00 0.00 57.70 57.94 2pn5 n MET 1210Cb 0.00 -2.13 -0.16 0.00 0.00 0.00 0.00 33.22 30.93 2pn5 n MET 1210CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 2pn5 s ALA 1211N 0.20 1.85 0.09 -5.12 0.00 -1.05 -0.61 121.76 117.12 2pn5 s ALA 1211Ca 0.77 -0.97 0.07 0.00 0.00 0.00 0.00 51.96 51.83 2pn5 s ALA 1211Cb -0.82 -0.46 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 2pn5 s ALA 1211CO 0.48 0.45 -0.14 -0.51 0.00 0.00 0.00 175.76 176.04 2pn5 s LEU 1212N -0.59 2.86 -0.14 0.00 1.43 -0.87 -1.09 118.68 120.29 2pn5 s LEU 1212Ca 0.09 -0.43 -0.01 0.00 -1.03 0.00 0.00 54.13 52.74 2pn5 s LEU 1212Cb -0.09 -1.68 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 2pn5 s LEU 1212CO -0.01 0.20 -0.11 -0.63 0.23 0.00 0.00 176.35 176.03 2pn5 s ILE 1213N -1.13 3.22 -0.18 -0.59 1.01 0.48 -1.93 121.20 122.08 2pn5 s ILE 1213Ca 0.19 -0.60 -0.05 0.00 0.00 0.00 0.00 60.65 60.19 2pn5 s ILE 1213Cb -0.11 -2.37 -0.03 0.00 0.01 0.00 0.00 42.46 39.96 2pn5 s ILE 1213CO 0.11 0.51 -0.00 -1.61 0.00 0.00 0.00 174.94 173.95 2pn5 s GLU 1214N 0.43 3.72 -0.17 2.79 2.02 -0.26 0.02 118.70 127.24 2pn5 s GLU 1214Ca -0.09 -0.48 -0.04 0.00 0.02 0.00 0.00 54.97 54.38 2pn5 s GLU 1214Cb -0.15 -3.03 -0.03 0.00 0.10 0.00 0.00 34.13 31.02 2pn5 s GLU 1214CO 0.04 0.17 -0.03 0.08 0.02 0.00 0.00 175.26 175.54 2pn5 s VAL 1215N 0.59 3.86 -0.06 2.63 1.01 0.58 -0.85 120.40 128.16 2pn5 s VAL 1215Ca -0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 2pn5 s VAL 1215Cb -0.14 -2.71 -0.04 0.00 0.00 0.00 0.00 36.38 33.50 2pn5 s VAL 1215CO 0.02 0.47 0.03 -0.89 0.00 0.00 0.00 175.10 174.73 2pn5 s THR 1216N 0.57 4.47 0.18 3.92 2.01 -0.68 -1.20 115.64 124.91 2pn5 s THR 1216Ca -0.02 -0.30 0.05 0.00 0.31 0.00 0.00 61.69 61.73 2pn5 s THR 1216Cb -0.14 -2.94 -0.04 0.00 0.01 0.00 0.00 72.50 69.39 2pn5 s THR 1216CO 0.02 0.52 0.16 -0.76 -0.69 0.00 0.00 174.62 173.87 2pn5 s LEU 1217N -1.18 3.84 0.73 4.42 1.43 -0.98 -4.14 118.68 122.79 2pn5 s LEU 1217Ca 0.16 -0.14 -0.15 0.00 -1.03 0.00 0.00 54.13 52.98 2pn5 s LEU 1217Cb -0.12 -2.43 0.04 0.00 0.03 0.00 0.00 46.19 43.72 2pn5 s LEU 1217CO 0.06 0.04 1.18 -2.84 0.23 0.00 0.00 176.35 175.02 2pn5 s PRO 1218N -3.28 2.20 0.22 1.29 0.02 -1.26 -4.83 135.00 129.36 2pn5 s PRO 1218Ca 0.32 1.66 -0.32 0.00 0.02 0.00 0.00 61.00 62.68 2pn5 s PRO 1218Cb -0.10 -1.85 -0.14 0.00 0.02 0.00 0.00 34.50 32.43 2pn5 s PRO 1218CO 0.24 -1.77 1.30 0.43 -0.33 0.00 0.00 177.00 176.87 2pn5 n SER 1219N -2.78 2.17 0.00 2.53 7.64 -1.26 -2.25 113.62 119.67 2pn5 n SER 1219Ca 0.13 1.14 0.00 0.00 1.01 0.00 0.00 58.87 61.15 2pn5 n SER 1219Cb 0.51 -1.34 0.00 0.00 -1.01 0.00 0.00 64.21 62.36 2pn5 n SER 1219CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2pn5 n GLY 1220N 2.05 1.49 3.88 0.23 0.00 -1.26 -4.80 105.19 106.77 2pn5 n GLY 1220Ca 0.13 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.82 2pn5 n GLY 1220CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2pn5 s TYR 1221N -2.76 3.49 0.00 1.61 2.02 -0.95 -0.27 117.35 120.49 2pn5 s TYR 1221Ca 0.00 0.76 -0.00 0.00 -0.37 0.00 0.00 57.07 57.46 2pn5 s TYR 1221Cb 0.00 -2.16 -0.00 0.00 -0.40 0.00 0.00 41.96 39.40 2pn5 s TYR 1221CO 0.00 0.40 -0.00 0.08 -1.57 0.00 0.00 175.55 174.45 2pn5 s VAL 1222N -1.63 0.02 0.18 0.71 1.01 -0.38 -4.65 120.40 115.66 2pn5 s VAL 1222Ca 0.41 -0.20 -0.15 0.00 0.00 0.00 0.00 61.98 62.05 2pn5 s VAL 1222Cb -0.12 -0.07 -0.07 0.00 0.00 0.00 0.00 36.38 36.12 2pn5 s VAL 1222CO 0.21 -0.11 0.59 0.68 0.00 0.00 0.00 175.10 176.48 2pn5 s VAL 1223N -0.31 4.80 0.00 2.92 -7.23 -0.66 0.18 120.40 120.10 2pn5 s VAL 1223Ca -0.03 0.87 0.00 0.00 -1.81 0.00 0.00 61.98 61.00 2pn5 s VAL 1223Cb -0.02 -3.73 0.00 0.00 0.56 0.00 0.00 36.38 33.19 2pn5 s VAL 1223CO -0.00 0.16 0.00 -0.90 -0.31 0.00 0.00 175.10 174.05 2pn5 n ASP 1224N 0.57 0.00 0.17 4.85 5.75 -1.25 -4.88 116.55 121.76 2pn5 n ASP 1224Ca -0.03 -0.43 -0.14 0.00 -0.01 0.00 0.00 54.79 54.18 2pn5 n ASP 1224Cb 0.52 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.54 2pn5 n ASP 1224CO 0.00 0.00 0.00 0.08 -0.11 0.00 0.00 177.20 177.17 2pn5 h ARG 1225N 0.00 -0.44 -3.23 0.11 -0.00 -1.95 -3.28 114.38 105.59 2pn5 h ARG 1225Ca 0.00 0.03 -0.63 0.00 -0.00 0.00 0.00 59.98 59.38 2pn5 h ARG 1225Cb 0.00 0.10 -0.41 0.00 -0.00 0.00 0.00 29.97 29.66 2pn5 h ARG 1225CO 0.00 -0.29 -0.64 -0.80 -0.00 0.00 0.00 179.97 178.23 2pn5 s ASN 1226N -4.80 4.24 0.18 0.08 0.01 -1.26 -4.97 114.94 108.42 2pn5 s ASN 1226Ca -0.15 -3.12 0.22 0.00 -0.71 0.00 0.00 52.86 49.09 2pn5 s ASN 1226Cb 0.06 -1.51 0.89 0.00 0.41 0.00 0.00 41.25 41.10 2pn5 s ASN 1226CO 0.65 -0.21 1.66 -0.81 -1.51 0.00 0.00 177.10 176.88 2pn5 n PRO 1227N 2.95 0.15 -3.89 -0.60 -0.04 -1.24 -4.76 135.00 127.57 2pn5 n PRO 1227Ca 0.09 0.35 -0.35 0.00 -0.04 0.00 0.00 63.50 63.55 2pn5 n PRO 1227Cb 0.33 -1.77 -0.10 0.00 -0.04 0.00 0.00 33.50 31.93 2pn5 n PRO 1227CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2pn5 s ILE 1228N -3.21 4.95 0.23 0.52 1.09 -1.26 -0.90 121.20 122.62 2pn5 s ILE 1228Ca 0.06 0.03 0.00 0.00 -1.10 0.00 0.00 60.65 59.64 2pn5 s ILE 1228Cb 0.10 -3.26 -0.04 0.00 -1.06 0.00 0.00 42.46 38.20 2pn5 s ILE 1228CO 0.38 0.43 0.13 -0.94 -0.10 0.00 0.00 174.94 174.84 2pn5 s SER 1229N 0.57 0.62 -1.50 3.58 1.04 -0.10 -4.94 113.70 112.97 2pn5 s SER 1229Ca 0.05 -1.42 -0.11 0.00 0.48 0.00 0.00 55.95 54.94 2pn5 s SER 1229Cb -0.13 0.33 0.07 0.00 0.10 0.00 0.00 66.02 66.40 2pn5 s SER 1229CO 0.01 -0.83 0.93 -0.62 0.98 0.00 0.00 173.24 173.72 2pn5 n GLU 1230N -0.37 -5.43 -2.17 4.02 1.02 -1.26 0.21 120.64 116.67 2pn5 n GLU 1230Ca 0.02 0.60 -0.41 0.00 -0.02 0.00 0.00 57.16 57.35 2pn5 n GLU 1230Cb 0.66 -5.43 -0.03 0.00 -0.02 0.00 0.00 31.44 26.62 2pn5 n GLU 1230CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 2pn5 s GLN 1231N -6.52 4.38 0.54 3.49 1.11 -1.26 -4.05 119.66 117.34 2pn5 s GLN 1231Ca 0.55 2.14 -0.20 0.00 0.01 0.00 0.00 55.36 57.86 2pn5 s GLN 1231Cb -0.28 -3.13 -0.06 0.00 -1.01 0.00 0.00 33.01 28.54 2pn5 s GLN 1231CO 0.83 -0.21 1.15 0.95 0.01 0.00 0.00 175.29 178.02 2pn5 s THR 1232N -0.56 3.06 -0.41 -0.19 -4.23 -0.58 -4.97 115.64 107.77 2pn5 s THR 1232Ca 0.53 0.68 0.21 0.00 -1.18 0.00 0.00 61.69 61.92 2pn5 s THR 1232Cb -0.38 -3.28 -0.29 0.00 1.34 0.00 0.00 72.50 69.89 2pn5 s THR 1232CO 0.45 -0.13 0.63 0.29 -0.54 0.00 0.00 174.62 175.33 2pn5 n LYS 1233N -1.25 0.48 -0.20 3.99 5.02 -1.26 -4.44 118.16 120.50 2pn5 n LYS 1233Ca 0.11 -0.12 0.01 0.00 -2.02 0.00 0.00 58.31 56.30 2pn5 n LYS 1233Cb 0.50 -1.49 0.11 0.00 -0.02 0.00 0.00 35.03 34.13 2pn5 n LYS 1233CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2pn5 h VAL 1234N 0.00 0.61 -2.38 -0.18 2.07 -1.96 -3.35 116.25 111.06 2pn5 h VAL 1234Ca 0.00 -0.08 -0.55 0.00 0.82 0.00 0.00 66.70 66.90 2pn5 h VAL 1234Cb 0.77 0.36 -0.37 0.00 -1.52 0.00 0.00 31.29 30.53 2pn5 h VAL 1234CO 0.00 0.04 -0.87 0.21 0.02 0.00 0.00 177.57 176.98 2pn5 s ASN 1235N -5.28 2.08 0.57 0.57 2.47 -1.26 -5.13 114.94 108.96 2pn5 s ASN 1235Ca -0.13 -2.41 -0.19 0.00 0.42 0.00 0.00 52.86 50.55 2pn5 s ASN 1235Cb 0.18 -0.23 -0.05 0.00 -1.45 0.00 0.00 41.25 39.71 2pn5 s ASN 1235CO 0.74 -0.25 1.15 -2.16 -3.72 0.00 0.00 177.10 172.86 2pn5 s PRO 1236N 0.76 3.19 -0.11 0.43 0.04 -1.26 -4.94 135.00 133.11 2pn5 s PRO 1236Ca 0.23 1.67 -0.29 0.00 0.04 0.00 0.00 61.00 62.65 2pn5 s PRO 1236Cb -0.12 -1.98 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 2pn5 s PRO 1236CO -0.07 -0.99 1.74 0.42 0.04 0.00 0.00 177.00 178.14 2pn5 s ILE 1237N -1.75 3.48 -0.29 0.56 1.01 -1.26 -4.69 121.20 118.26 2pn5 s ILE 1237Ca 0.74 0.56 0.19 0.00 0.00 0.00 0.00 60.65 62.14 2pn5 s ILE 1237Cb -0.26 -3.42 0.17 0.00 0.01 0.00 0.00 42.46 38.95 2pn5 s ILE 1237CO 0.30 -0.12 1.44 1.56 0.00 0.00 0.00 174.94 178.11 2pn5 h GLN 1238N 10.57 0.00 -2.23 2.79 1.08 -1.28 -3.46 115.11 122.58 2pn5 h GLN 1238Ca -0.39 0.00 -0.06 0.00 -1.45 0.00 0.00 58.65 56.75 2pn5 h GLN 1238Cb 1.18 0.00 -0.22 0.00 -0.05 0.00 0.00 27.48 28.39 2pn5 h GLN 1238CO 0.97 0.22 -0.00 0.21 -0.95 0.00 0.00 178.83 179.27 2pn5 s LYS 1239N -3.11 0.71 -0.18 1.46 2.20 -1.23 -4.98 119.74 114.61 2pn5 s LYS 1239Ca 0.04 0.90 0.01 0.00 -0.36 0.00 0.00 55.97 56.56 2pn5 s LYS 1239Cb 0.07 0.31 0.02 0.00 -1.51 0.00 0.00 37.83 36.71 2pn5 s LYS 1239CO 0.72 -0.10 -0.19 0.99 -0.36 0.00 0.00 175.35 176.42 2pn5 s THR 1240N 0.53 2.21 -0.10 3.43 2.01 -1.26 -1.56 115.64 120.90 2pn5 s THR 1240Ca -0.02 -0.89 0.03 0.00 0.31 0.00 0.00 61.69 61.12 2pn5 s THR 1240Cb -0.05 -1.93 0.00 0.00 0.01 0.00 0.00 72.50 70.54 2pn5 s THR 1240CO -0.02 0.53 -0.21 -1.83 -0.69 0.00 0.00 174.62 172.40 2pn5 s GLU 1241N 1.25 2.74 -0.22 4.92 -1.05 0.17 -5.00 118.70 121.50 2pn5 s GLU 1241Ca 0.04 -0.77 -0.07 0.00 -0.15 0.00 0.00 54.97 54.02 2pn5 s GLU 1241Cb -0.13 -2.11 -0.03 0.00 -0.44 0.00 0.00 34.13 31.41 2pn5 s GLU 1241CO -0.11 0.12 0.06 0.42 0.95 0.00 0.00 175.26 176.71 2pn5 s ILE 1242N 0.47 4.41 0.35 1.83 1.01 -1.26 -0.72 121.20 127.29 2pn5 s ILE 1242Ca -0.17 -0.15 0.04 0.00 0.00 0.00 0.00 60.65 60.37 2pn5 s ILE 1242Cb -0.17 -3.03 -0.03 0.00 0.01 0.00 0.00 42.46 39.23 2pn5 s ILE 1242CO 0.07 0.38 0.16 0.00 0.00 0.00 0.00 174.94 175.54 2pn5 s ARG 1243N 1.19 1.76 -1.18 2.79 1.04 -0.24 -4.85 118.95 119.45 2pn5 s ARG 1243Ca 0.04 -2.03 -0.11 0.00 -1.04 0.00 0.00 55.73 52.59 2pn5 s ARG 1243Cb -0.14 -0.30 -0.02 0.00 -2.04 0.00 0.00 34.95 32.45 2pn5 s ARG 1243CO 0.03 -0.47 0.77 0.66 -0.04 0.00 0.00 175.30 176.25 2pn5 n TYR 1244N -0.73 -1.99 -3.80 5.89 4.01 -1.26 -1.72 117.16 117.56 2pn5 n TYR 1244Ca -0.01 0.65 -0.32 0.00 -0.16 0.00 0.00 57.90 58.06 2pn5 n TYR 1244Cb 0.65 -3.83 0.02 0.00 -0.31 0.00 0.00 39.34 35.87 2pn5 n TYR 1244CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2pn5 n GLY 1245N -1.59 -0.77 2.44 2.72 0.00 -1.26 -1.56 105.19 105.17 2pn5 n GLY 1245Ca -0.16 0.36 -0.20 0.00 0.00 0.00 0.00 46.02 46.02 2pn5 n GLY 1245CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pn5 n GLY 1246N -1.81 0.09 0.01 -0.02 0.00 -1.07 -4.74 105.19 97.64 2pn5 n GLY 1246Ca -0.15 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.95 2pn5 n GLY 1246CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2pn5 n THR 1247N -3.57 0.00 -3.85 2.61 -1.04 -0.60 -1.66 114.28 106.18 2pn5 n THR 1247Ca -0.23 -0.37 -0.14 0.00 -2.04 0.00 0.00 64.05 61.27 2pn5 n THR 1247Cb 0.68 0.13 -0.15 0.00 -1.82 0.00 0.00 70.33 69.17 2pn5 n THR 1247CO 0.00 0.00 0.00 -0.55 -0.64 0.00 0.00 175.07 173.88 2pn5 s SER 1248N -3.89 0.10 -0.11 8.00 0.15 -0.96 -2.31 113.70 114.67 2pn5 s SER 1248Ca -0.06 0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.62 2pn5 s SER 1248Cb 0.11 -0.05 0.01 0.00 -1.71 0.00 0.00 66.02 64.38 2pn5 s SER 1248CO 0.69 -0.06 -0.17 -0.69 1.20 0.00 0.00 173.24 174.20 2pn5 s VAL 1249N 0.54 1.65 -0.18 4.45 1.01 -0.34 -1.08 120.40 126.45 2pn5 s VAL 1249Ca -0.05 -0.74 -0.04 0.00 0.00 0.00 0.00 61.98 61.16 2pn5 s VAL 1249Cb -0.07 -1.49 -0.02 0.00 0.00 0.00 0.00 36.38 34.80 2pn5 s VAL 1249CO -0.01 0.47 -0.04 -0.69 0.00 0.00 0.00 175.10 174.83 2pn5 s VAL 1250N 0.89 3.72 -0.08 2.92 1.01 0.10 -0.31 120.40 128.65 2pn5 s VAL 1250Ca -0.08 -0.40 0.04 0.00 0.00 0.00 0.00 61.98 61.54 2pn5 s VAL 1250Cb -0.15 -2.65 -0.01 0.00 0.00 0.00 0.00 36.38 33.57 2pn5 s VAL 1250CO -0.01 0.46 -0.21 -0.76 0.00 0.00 0.00 175.10 174.59 2pn5 s LEU 1251N 0.76 2.30 -0.06 3.92 1.02 0.10 -0.65 118.68 126.07 2pn5 s LEU 1251Ca -0.01 -0.45 0.02 0.00 0.02 0.00 0.00 54.13 53.71 2pn5 s LEU 1251Cb -0.14 -1.46 -0.03 0.00 0.02 0.00 0.00 46.19 44.58 2pn5 s LEU 1251CO 0.02 0.22 -0.09 -0.31 0.02 0.00 0.00 176.35 176.20 2pn5 s TYR 1252N 0.01 2.86 0.09 0.29 1.51 -0.60 -0.39 117.35 121.13 2pn5 s TYR 1252Ca -0.07 -0.05 0.06 0.00 -1.01 0.00 0.00 57.07 56.00 2pn5 s TYR 1252Cb -0.15 -1.69 -0.03 0.00 -0.11 0.00 0.00 41.96 39.98 2pn5 s TYR 1252CO 0.05 0.28 -0.15 0.71 -1.11 0.00 0.00 175.55 175.33 2pn5 s TYR 1253N -0.75 1.35 0.29 2.71 1.51 -0.25 -0.69 117.35 121.52 2pn5 s TYR 1253Ca 0.12 -0.48 -0.01 0.00 -1.01 0.00 0.00 57.07 55.68 2pn5 s TYR 1253Cb -0.11 -0.74 0.42 0.00 -0.11 0.00 0.00 41.96 41.41 2pn5 s TYR 1253CO 0.01 0.10 1.84 -0.44 -1.11 0.00 0.00 175.55 175.96 2pn5 h ASP 1254N 4.04 0.77 0.00 2.29 3.32 -1.85 -2.78 116.42 122.21 2pn5 h ASP 1254Ca -0.41 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 56.51 2pn5 h ASP 1254Cb 1.19 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.54 2pn5 h ASP 1254CO 0.43 0.74 0.00 -0.46 -1.72 0.00 0.00 179.24 178.23 2pn5 n ASN 1255N -4.29 0.00 -3.98 6.45 0.23 -1.26 -2.50 115.26 109.92 2pn5 n ASN 1255Ca 0.04 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 53.95 2pn5 n ASN 1255Cb 0.21 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.78 2pn5 n ASN 1255CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 2pn5 s MET 1256N -2.00 0.38 0.00 -3.83 -1.94 -1.26 -4.85 119.30 105.79 2pn5 s MET 1256Ca 0.00 -0.36 0.00 0.00 -1.71 0.00 0.00 55.69 53.62 2pn5 s MET 1256Cb 0.00 -0.26 0.00 0.00 2.01 0.00 0.00 34.83 36.58 2pn5 s MET 1256CO 0.00 0.06 0.00 0.41 -0.01 0.00 0.00 175.02 175.48 2pn5 n GLY 1257N 2.42 4.73 0.02 -0.03 0.00 -1.26 0.24 105.19 111.31 2pn5 n GLY 1257Ca -0.17 -1.75 0.14 0.00 0.00 0.00 0.00 46.02 44.24 2pn5 n GLY 1257CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2pn5 n SER 1258N 0.00 0.14 -4.61 1.61 3.41 -1.23 -0.17 113.62 112.76 2pn5 n SER 1258Ca 0.00 0.04 -0.36 0.00 -0.26 0.00 0.00 58.87 58.28 2pn5 n SER 1258Cb 0.00 -0.28 0.07 0.00 -0.26 0.00 0.00 64.21 63.74 2pn5 n SER 1258CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2pn5 n GLU 1259N -1.34 0.66 -3.34 4.33 0.00 -1.26 -4.85 120.64 114.84 2pn5 n GLU 1259Ca 0.10 0.28 -0.43 0.00 0.00 0.00 0.00 57.16 57.11 2pn5 n GLU 1259Cb 0.30 -2.19 -0.09 0.00 0.00 0.00 0.00 31.44 29.46 2pn5 n GLU 1259CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 2pn5 s ARG 1260N -3.09 3.06 -0.57 3.44 0.52 -1.26 -4.42 118.95 116.63 2pn5 s ARG 1260Ca 0.75 -0.88 -0.22 0.00 -0.52 0.00 0.00 55.73 54.86 2pn5 s ARG 1260Cb -0.37 -4.00 0.06 0.00 0.52 0.00 0.00 34.95 31.16 2pn5 s ARG 1260CO 0.49 -0.88 0.83 -0.80 0.02 0.00 0.00 175.30 174.96 2pn5 s ASN 1261N 1.93 6.25 0.26 0.23 -0.87 0.29 -4.89 114.94 118.14 2pn5 s ASN 1261Ca 0.10 -0.78 0.11 0.00 -1.57 0.00 0.00 52.86 50.73 2pn5 s ASN 1261Cb -0.18 -2.38 -0.05 0.00 -0.02 0.00 0.00 41.25 38.62 2pn5 s ASN 1261CO 0.12 -1.17 -0.16 0.00 -2.57 0.00 0.00 177.10 173.32 2pn5 s PHE 1263N -2.36 -0.27 -0.08 0.00 -0.71 -0.40 -1.52 117.98 112.64 2pn5 s PHE 1263Ca 0.29 -0.01 0.05 0.00 -1.04 0.00 0.00 56.93 56.22 2pn5 s PHE 1263Cb -0.06 0.62 -0.01 0.00 -1.21 0.00 0.00 43.02 42.36 2pn5 s PHE 1263CO 0.15 -0.86 -0.24 0.99 -1.34 0.00 0.00 175.22 173.93 2pn5 s THR 1264N -3.48 2.10 -0.20 -4.49 2.01 0.13 -0.76 115.64 110.96 2pn5 s THR 1264Ca 0.08 -1.03 -0.05 0.00 0.31 0.00 0.00 61.69 61.00 2pn5 s THR 1264Cb -0.02 -1.78 -0.02 0.00 0.01 0.00 0.00 72.50 70.69 2pn5 s THR 1264CO -0.02 0.56 -0.01 -0.22 -0.69 0.00 0.00 174.62 174.25 2pn5 s LEU 1265N 0.07 3.25 -0.20 4.42 0.20 -0.21 -0.92 118.68 125.28 2pn5 s LEU 1265Ca -0.11 -0.20 -0.08 0.00 0.69 0.00 0.00 54.13 54.44 2pn5 s LEU 1265Cb -0.16 -1.82 -0.04 0.00 -0.43 0.00 0.00 46.19 43.74 2pn5 s LEU 1265CO 0.06 0.07 0.09 -0.89 -0.29 0.00 0.00 176.35 175.39 2pn5 s THR 1266N 0.94 4.88 0.07 3.68 2.01 -0.08 -1.17 115.64 125.97 2pn5 s THR 1266Ca 0.01 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.04 2pn5 s THR 1266Cb -0.14 -3.23 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 2pn5 s THR 1266CO 0.02 0.42 -0.09 0.00 -0.69 0.00 0.00 174.62 174.28 2pn5 s ALA 1267N 0.66 0.84 0.00 7.40 0.00 -0.01 -3.84 121.76 126.81 2pn5 s ALA 1267Ca 0.05 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 51.06 2pn5 s ALA 1267Cb -0.13 0.05 -0.03 0.00 0.00 0.00 0.00 23.12 23.01 2pn5 s ALA 1267CO 0.01 -0.05 -0.18 0.71 0.00 0.00 0.00 175.76 176.25 2pn5 s TYR 1268N -2.06 2.56 -0.64 0.00 1.51 0.13 -0.74 117.35 118.11 2pn5 s TYR 1268Ca -0.01 -0.26 -0.27 0.00 -1.01 0.00 0.00 57.07 55.52 2pn5 s TYR 1268Cb -0.05 -1.52 0.02 0.00 -0.11 0.00 0.00 41.96 40.30 2pn5 s TYR 1268CO -0.01 0.19 1.40 0.50 -1.11 0.00 0.00 175.55 176.52 2pn5 s ARG 1269N -1.10 3.20 0.06 -0.62 3.52 0.11 -1.25 118.95 122.87 2pn5 s ARG 1269Ca 0.13 0.19 0.22 0.00 -0.13 0.00 0.00 55.73 56.14 2pn5 s ARG 1269Cb -0.10 -4.17 -0.19 0.00 -1.56 0.00 0.00 34.95 28.93 2pn5 s ARG 1269CO 0.03 -2.09 0.71 0.54 -0.81 0.00 0.00 175.30 173.68 2pn5 n ARG 1270N 8.97 0.64 -4.09 5.12 5.12 0.63 -4.88 116.66 128.17 2pn5 n ARG 1270Ca 0.09 -0.04 -0.14 0.00 -1.93 0.00 0.00 57.85 55.83 2pn5 n ARG 1270Cb 0.49 -1.66 -0.13 0.00 -1.16 0.00 0.00 32.46 30.01 2pn5 n ARG 1270CO 0.00 0.00 0.00 -0.06 -1.93 0.00 0.00 177.63 175.64 2pn5 s PHE 1271N -3.39 0.55 -0.38 -1.55 0.40 -0.87 -5.06 117.98 107.68 2pn5 s PHE 1271Ca -0.05 -0.32 -0.28 0.00 -0.60 0.00 0.00 56.93 55.68 2pn5 s PHE 1271Cb 0.12 -0.34 0.02 0.00 0.51 0.00 0.00 43.02 43.33 2pn5 s PHE 1271CO 0.85 -0.05 1.06 0.15 0.70 0.00 0.00 175.22 177.93 2pn5 s LYS 1272N -0.93 3.90 -0.05 0.44 1.02 -1.26 -4.71 119.74 118.14 2pn5 s LYS 1272Ca -0.05 0.78 0.01 0.00 0.02 0.00 0.00 55.97 56.72 2pn5 s LYS 1272Cb -0.06 -3.81 0.02 0.00 -0.52 0.00 0.00 37.83 33.46 2pn5 s LYS 1272CO 0.00 -1.07 -0.03 0.08 -0.92 0.00 0.00 175.35 173.41 2pn5 s VAL 1273N 3.86 0.47 0.25 3.17 1.01 -1.26 -1.66 120.40 126.24 2pn5 s VAL 1273Ca 0.44 -0.06 0.09 0.00 0.00 0.00 0.00 61.98 62.45 2pn5 s VAL 1273Cb -0.10 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.71 2pn5 s VAL 1273CO 0.21 0.22 0.01 0.00 0.00 0.00 0.00 175.10 175.54 2pn5 s ALA 1274N 1.08 3.19 -1.44 5.51 0.00 0.50 -4.61 121.76 125.98 2pn5 s ALA 1274Ca -0.09 -1.60 -0.10 0.00 0.00 0.00 0.00 51.96 50.17 2pn5 s ALA 1274Cb -0.14 -0.83 0.05 0.00 0.00 0.00 0.00 23.12 22.19 2pn5 s ALA 1274CO -0.01 0.30 1.05 1.28 0.00 0.00 0.00 175.76 178.37 2pn5 n LEU 1275N -0.78 -2.99 -4.79 0.00 4.77 -1.25 -1.48 117.00 110.48 2pn5 n LEU 1275Ca -0.07 -0.68 -0.36 0.00 -0.03 0.00 0.00 56.01 54.87 2pn5 n LEU 1275Cb 0.58 -2.78 -0.05 0.00 -2.33 0.00 0.00 43.42 38.85 2pn5 n LEU 1275CO 0.40 0.54 0.71 -1.59 -1.33 0.00 0.00 177.39 176.12 2pn5 s LYS 1276N -6.41 4.21 0.46 3.23 -2.85 -1.26 -4.38 119.74 112.74 2pn5 s LYS 1276Ca 0.56 1.44 -0.18 0.00 -1.00 0.00 0.00 55.97 56.79 2pn5 s LYS 1276Cb -0.27 -2.52 -0.09 0.00 -2.06 0.00 0.00 37.83 32.90 2pn5 s LYS 1276CO 0.79 -0.09 0.94 1.03 0.10 0.00 0.00 175.35 178.12 2pn5 s ARG 1277N -2.54 4.04 0.89 1.78 0.52 -1.26 -5.02 118.95 117.36 2pn5 s ARG 1277Ca 0.58 0.96 -0.10 0.00 -0.52 0.00 0.00 55.73 56.65 2pn5 s ARG 1277Cb -0.20 -2.19 0.13 0.00 0.52 0.00 0.00 34.95 33.21 2pn5 s ARG 1277CO 0.25 -0.14 1.13 -1.25 0.02 0.00 0.00 175.30 175.32 2pn5 s PRO 1278N -3.66 1.19 0.55 3.54 0.04 -1.26 -4.74 135.00 130.66 2pn5 s PRO 1278Ca 0.59 1.45 0.05 0.00 0.04 0.00 0.00 61.00 63.13 2pn5 s PRO 1278Cb -0.10 -1.75 0.05 0.00 0.04 0.00 0.00 34.50 32.74 2pn5 s PRO 1278CO 0.24 -2.48 0.40 0.00 0.04 0.00 0.00 177.00 175.20 2pn5 n ALA 1279N -4.12 0.84 -2.75 8.56 0.00 -0.41 -4.96 120.51 117.67 2pn5 n ALA 1279Ca 0.11 -2.22 -0.10 0.00 0.00 0.00 0.00 53.44 51.23 2pn5 n ALA 1279Cb 0.52 0.93 -0.07 0.00 0.00 0.00 0.00 19.45 20.83 2pn5 n ALA 1279CO 0.00 0.00 0.00 1.52 0.00 0.00 0.00 177.50 179.02 2pn5 s TYR 1280N -2.75 0.52 0.00 0.00 1.13 -1.26 -0.68 117.35 114.31 2pn5 s TYR 1280Ca 0.30 -0.86 0.06 0.00 -1.41 0.00 0.00 57.07 55.16 2pn5 s TYR 1280Cb -0.02 -0.08 -0.02 0.00 -1.10 0.00 0.00 41.96 40.74 2pn5 s TYR 1280CO 0.19 -0.78 -0.18 0.08 -2.51 0.00 0.00 175.55 172.35 2pn5 s VAL 1281N -4.01 1.45 0.06 -3.49 1.01 -0.38 -1.69 120.40 113.34 2pn5 s VAL 1281Ca 0.22 -0.87 0.08 0.00 0.00 0.00 0.00 61.98 61.41 2pn5 s VAL 1281Cb 0.03 -1.23 -0.03 0.00 0.00 0.00 0.00 36.38 35.16 2pn5 s VAL 1281CO 0.04 0.34 -0.22 -0.69 0.00 0.00 0.00 175.10 174.57 2pn5 s VAL 1282N -0.53 1.77 0.01 2.92 1.01 -0.03 -1.88 120.40 123.68 2pn5 s VAL 1282Ca 0.07 -1.31 0.04 0.00 0.00 0.00 0.00 61.98 60.78 2pn5 s VAL 1282Cb -0.07 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.74 2pn5 s VAL 1282CO -0.00 0.18 -0.13 0.54 0.00 0.00 0.00 175.10 175.70 2pn5 s VAL 1283N -0.87 1.01 0.12 2.92 0.11 -0.70 -1.10 120.40 121.89 2pn5 s VAL 1283Ca 0.08 -0.70 -0.22 0.00 -2.93 0.00 0.00 61.98 58.21 2pn5 s VAL 1283Cb -0.09 -0.87 0.06 0.00 -1.53 0.00 0.00 36.38 33.94 2pn5 s VAL 1283CO 0.02 0.17 0.56 -0.72 -3.33 0.00 0.00 175.10 171.80 2pn5 s TYR 1284N -0.50 -0.47 -0.31 1.54 1.13 -0.81 -1.08 117.35 116.85 2pn5 s TYR 1284Ca 0.03 0.34 -0.26 0.00 -1.41 0.00 0.00 57.07 55.78 2pn5 s TYR 1284Cb -0.06 0.46 0.01 0.00 -1.10 0.00 0.00 41.96 41.26 2pn5 s TYR 1284CO 0.00 -0.77 0.90 0.34 -2.51 0.00 0.00 175.55 173.51 2pn5 s ASP 1285N -2.50 6.76 0.23 -0.18 2.15 -0.36 -2.06 116.67 120.71 2pn5 s ASP 1285Ca -0.01 0.79 -0.07 0.00 0.43 0.00 0.00 52.55 53.69 2pn5 s ASP 1285Cb -0.00 -2.46 0.28 0.00 -0.30 0.00 0.00 42.92 40.44 2pn5 s ASP 1285CO -0.09 -0.72 1.86 0.22 -0.17 0.00 0.00 175.17 176.26 2pn5 h TYR 1286N 8.13 0.95 -0.02 -5.34 3.20 -1.17 -2.19 116.97 120.52 2pn5 h TYR 1286Ca -0.23 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.67 2pn5 h TYR 1286Cb 1.08 -0.31 0.00 0.00 1.54 0.00 0.00 36.73 39.04 2pn5 h TYR 1286CO 0.80 0.51 -0.03 0.66 -1.64 0.00 0.00 178.16 178.45 2pn5 n TYR 1287N -4.62 0.00 -3.10 -3.82 4.01 -1.26 -4.33 117.16 104.04 2pn5 n TYR 1287Ca 0.11 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.69 2pn5 n TYR 1287Cb 0.13 -0.01 -0.05 0.00 -0.31 0.00 0.00 39.34 39.11 2pn5 n TYR 1287CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 2pn5 s ASN 1288N -2.05 0.04 0.00 7.72 2.47 -0.87 -4.92 114.94 117.33 2pn5 s ASN 1288Ca 0.34 -2.32 0.12 0.00 0.42 0.00 0.00 52.86 51.42 2pn5 s ASN 1288Cb 0.21 0.74 0.58 0.00 -1.45 0.00 0.00 41.25 41.32 2pn5 s ASN 1288CO 0.35 -0.12 1.35 0.35 -3.72 0.00 0.00 177.10 175.30 2pn5 n THR 1289N 3.01 0.89 0.25 -5.21 -2.24 -0.92 -1.51 114.28 108.56 2pn5 n THR 1289Ca 0.23 0.22 0.07 0.00 -2.27 0.00 0.00 64.05 62.31 2pn5 n THR 1289Cb 0.52 -1.02 0.60 0.00 -2.10 0.00 0.00 70.33 68.33 2pn5 n THR 1289CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2pn5 h ASN 1290N 0.00 0.00 -3.60 3.42 2.35 -1.95 -3.38 115.58 112.41 2pn5 h ASN 1290Ca 0.00 0.00 -0.64 0.00 -0.55 0.00 0.00 56.30 55.11 2pn5 h ASN 1290Cb 0.16 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.39 2pn5 h ASN 1290CO 0.00 0.07 0.26 -0.76 -1.65 0.00 0.00 177.43 175.36 2pn5 s LEU 1291N -8.78 4.33 0.08 1.61 1.43 -0.57 -4.80 118.68 111.98 2pn5 s LEU 1291Ca -0.05 -0.14 -0.27 0.00 -1.03 0.00 0.00 54.13 52.65 2pn5 s LEU 1291Cb 0.16 -2.87 0.08 0.00 0.03 0.00 0.00 46.19 43.59 2pn5 s LEU 1291CO 0.67 -0.83 0.94 0.54 0.23 0.00 0.00 176.35 177.89 2pn5 s ASN 1292N 2.04 -0.25 0.03 2.29 2.20 -0.57 -1.23 114.94 119.45 2pn5 s ASN 1292Ca 0.27 -0.23 -0.02 0.00 -0.94 0.00 0.00 52.86 51.94 2pn5 s ASN 1292Cb -0.13 0.44 -0.02 0.00 -2.00 0.00 0.00 41.25 39.54 2pn5 s ASN 1292CO 0.20 -0.77 0.01 0.00 -2.94 0.00 0.00 177.10 173.60 2pn5 s ALA 1293N -3.20 0.11 -0.05 3.54 0.00 -0.24 0.02 121.76 121.94 2pn5 s ALA 1293Ca 0.09 -0.64 -0.02 0.00 0.00 0.00 0.00 51.96 51.40 2pn5 s ALA 1293Cb -0.01 0.18 0.03 0.00 0.00 0.00 0.00 23.12 23.32 2pn5 s ALA 1293CO -0.03 -0.22 0.11 -1.50 0.00 0.00 0.00 175.76 174.12 2pn5 s ILE 1294N -2.01 -0.05 -0.05 0.00 -1.16 0.10 -1.73 121.20 116.31 2pn5 s ILE 1294Ca -0.11 0.19 0.04 0.00 -0.51 0.00 0.00 60.65 60.26 2pn5 s ILE 1294Cb -0.06 -0.19 0.00 0.00 0.61 0.00 0.00 42.46 42.83 2pn5 s ILE 1294CO -0.03 0.08 -0.15 -0.54 -2.81 0.00 0.00 174.94 171.49 2pn5 s LYS 1295N 1.11 1.63 0.33 3.50 -0.14 -0.79 -1.56 119.74 123.83 2pn5 s LYS 1295Ca -0.09 -0.52 -0.04 0.00 -1.36 0.00 0.00 55.97 53.96 2pn5 s LYS 1295Cb -0.12 -1.41 -0.05 0.00 -1.68 0.00 0.00 37.83 34.58 2pn5 s LYS 1295CO -0.05 0.18 0.59 0.14 -0.76 0.00 0.00 175.35 175.45 2pn5 s VAL 1296N 0.19 5.02 0.04 3.17 -7.23 -1.26 -1.25 120.40 119.08 2pn5 s VAL 1296Ca -0.06 -0.02 -0.12 0.00 -1.81 0.00 0.00 61.98 59.96 2pn5 s VAL 1296Cb -0.12 -3.78 0.01 0.00 0.56 0.00 0.00 36.38 33.06 2pn5 s VAL 1296CO 0.02 -0.45 0.26 -0.72 -0.31 0.00 0.00 175.10 173.90 2pn5 s TYR 1297N -2.23 -0.05 0.08 2.82 1.13 0.14 -4.95 117.35 114.30 2pn5 s TYR 1297Ca 0.44 -0.11 0.09 0.00 -1.41 0.00 0.00 57.07 56.07 2pn5 s TYR 1297Cb -0.10 0.05 -0.03 0.00 -1.10 0.00 0.00 41.96 40.77 2pn5 s TYR 1297CO 0.33 -0.47 -0.23 -1.21 -2.51 0.00 0.00 175.55 171.46 2pn5 s GLU 1298N -2.50 1.39 0.13 -3.49 2.02 -1.26 -1.29 118.70 113.70 2pn5 s GLU 1298Ca -0.05 -1.12 0.04 0.00 0.02 0.00 0.00 54.97 53.85 2pn5 s GLU 1298Cb -0.01 -1.64 -0.04 0.00 0.10 0.00 0.00 34.13 32.54 2pn5 s GLU 1298CO -0.03 0.40 0.15 0.08 0.02 0.00 0.00 175.26 175.88 2pn5 s VAL 1299N -0.96 4.68 -0.47 2.63 1.01 -1.26 -5.02 120.40 121.01 2pn5 s VAL 1299Ca 0.09 -0.89 -0.44 0.00 0.00 0.00 0.00 61.98 60.74 2pn5 s VAL 1299Cb -0.10 -3.35 -0.18 0.00 0.00 0.00 0.00 36.38 32.75 2pn5 s VAL 1299CO 0.03 -0.03 1.90 0.47 0.00 0.00 0.00 175.10 177.48 2pn5 n ASP 1300N -0.12 1.20 -4.62 3.32 8.00 -1.26 -4.80 116.55 118.27 2pn5 n ASP 1300Ca -0.08 0.89 -0.43 0.00 0.71 0.00 0.00 54.79 55.88 2pn5 n ASP 1300Cb 0.53 -0.95 -0.02 0.00 -0.02 0.00 0.00 41.12 40.67 2pn5 n ASP 1300CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2pn5 s LYS 1301N 4.66 3.71 0.51 -1.24 1.02 -1.26 -4.99 119.74 122.15 2pn5 s LYS 1301Ca 1.11 1.35 -0.22 0.00 0.02 0.00 0.00 55.97 58.23 2pn5 s LYS 1301Cb -1.41 -4.01 -0.06 0.00 -0.52 0.00 0.00 37.83 31.83 2pn5 s LYS 1301CO 0.71 -1.39 1.28 -0.65 -0.92 0.00 0.00 175.35 174.38 2pn5 s GLN 1302N 4.74 3.38 -0.02 1.68 -0.21 -1.26 -5.01 119.66 122.95 2pn5 s GLN 1302Ca 0.66 2.06 -0.16 0.00 0.02 0.00 0.00 55.36 57.94 2pn5 s GLN 1302Cb -0.20 -2.32 -0.05 0.00 1.00 0.00 0.00 33.01 31.44 2pn5 s GLN 1302CO 0.29 -0.94 0.44 0.54 -2.12 0.00 0.00 175.29 173.50 2pn5 s ASN 1303N -1.11 6.81 0.48 5.90 6.03 -1.26 -3.79 114.94 128.00 2pn5 s ASN 1303Ca 0.68 0.96 0.20 0.00 -1.03 0.00 0.00 52.86 53.67 2pn5 s ASN 1303Cb -0.36 -2.27 1.21 0.00 -3.03 0.00 0.00 41.25 36.80 2pn5 s ASN 1303CO 0.43 0.24 1.98 0.25 -2.03 0.00 0.00 177.10 177.97 2pn5 h LEU 1304N 5.18 0.19 -1.04 3.54 5.85 -1.95 -1.81 115.31 125.26 2pn5 h LEU 1304Ca -0.49 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.22 2pn5 h LEU 1304Cb 1.21 -0.03 -0.00 0.00 0.37 0.00 0.00 40.66 42.20 2pn5 h LEU 1304CO 0.65 0.11 -0.08 0.00 -0.34 0.00 0.00 178.44 178.78 2pn5 h GLU 1306N 0.00 0.00 -0.16 0.00 4.81 -1.75 -3.39 114.58 114.08 2pn5 h GLU 1306Ca -0.00 0.00 -0.19 0.00 -0.13 0.00 0.00 59.36 59.04 2pn5 h GLU 1306Cb 0.70 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.08 2pn5 h GLU 1306CO 0.01 0.68 -0.68 0.82 -0.73 0.00 0.00 179.01 179.12 2pn5 h ILE 1307N 0.00 1.31 -4.36 2.32 1.08 -1.13 -3.46 117.51 113.27 2pn5 h ILE 1307Ca -0.17 -1.94 -0.51 0.00 -0.39 0.00 0.00 64.86 61.85 2pn5 h ILE 1307Cb 1.90 1.91 0.07 0.00 -3.07 0.00 0.00 36.82 37.63 2pn5 h ILE 1307CO 0.10 0.61 0.40 0.00 -0.69 0.00 0.00 178.15 178.56 2pn5 s ASP 1309N -4.05 6.41 0.55 0.00 1.47 -1.26 -4.97 116.67 114.83 2pn5 s ASP 1309Ca 0.56 0.54 0.36 0.00 1.18 0.00 0.00 52.55 55.20 2pn5 s ASP 1309Cb -0.12 -2.07 1.52 0.00 -0.34 0.00 0.00 42.92 41.91 2pn5 s ASP 1309CO 0.54 -0.11 1.76 -0.33 0.68 0.00 0.00 175.17 177.71 2pn5 h GLU 1310N 1.85 0.00 0.02 2.11 5.08 -1.98 -2.32 114.58 119.33 2pn5 h GLU 1310Ca -0.48 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.88 2pn5 h GLU 1310Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2pn5 h GLU 1310CO 0.67 0.00 -0.01 0.93 -1.00 0.00 0.00 179.01 179.60 2pn5 h GLU 1311N 0.00 -0.02 -0.13 2.33 5.08 -2.04 -3.32 114.58 116.49 2pn5 h GLU 1311Ca 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.91 2pn5 h GLU 1311Cb 2.33 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.58 2pn5 h GLU 1311CO -0.01 0.17 0.00 -0.40 -1.00 0.00 0.00 179.01 177.77 2pn5 n ASP 1312N -5.01 3.03 -4.67 1.42 5.68 -0.88 -4.94 116.55 111.19 2pn5 n ASP 1312Ca -0.08 -1.97 -0.43 0.00 -0.50 0.00 0.00 54.79 51.82 2pn5 n ASP 1312Cb 0.12 -0.07 -0.03 0.00 -1.14 0.00 0.00 41.12 40.00 2pn5 n ASP 1312CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2pn5 n PRO 1314N 7.16 -2.36 0.06 0.00 -0.04 -1.26 -4.97 135.00 133.58 2pn5 n PRO 1314Ca 0.20 -1.41 -0.13 0.00 -0.04 0.00 0.00 63.50 62.11 2pn5 n PRO 1314Cb 0.39 -1.24 -0.07 0.00 -0.04 0.00 0.00 33.50 32.55 2pn5 n PRO 1314CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2pn5 h ALA 1315N -2.44 -0.65 0.00 0.55 0.00 -1.98 -3.29 119.26 111.46 2pn5 h ALA 1315Ca -0.32 -0.04 -0.67 0.00 0.00 0.00 0.00 54.91 53.87 2pn5 h ALA 1315Cb 0.97 0.73 -0.01 0.00 0.00 0.00 0.00 17.79 19.49 2pn5 h ALA 1315CO 0.22 -0.95 3.03 -0.85 0.00 0.00 0.00 179.25 180.70 2pn5 n GLU 1316N -5.45 2.64 -2.28 0.00 -0.00 -1.26 -4.84 120.64 109.45 2pn5 n GLU 1316Ca -0.06 -2.32 -0.05 0.00 -0.00 0.00 0.00 57.16 54.74 2pn5 n GLU 1316Cb 0.37 -3.10 -0.00 0.00 -0.00 0.00 0.00 31.44 28.71 2pn5 n GLU 1316CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13