#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wr5 s ILE 7 N 0.00 0.55 -0.03 1.69 1.10 -1.03 -2.16 121.20 121.32 2wr5 s ILE 7 Ca 0.00 -0.03 -0.03 0.00 -0.51 0.00 0.00 60.65 60.08 2wr5 s ILE 7 Cb 0.00 -0.64 -0.04 0.00 0.15 0.00 0.00 42.46 41.93 2wr5 s ILE 7 CO 0.00 0.27 0.14 0.00 -2.11 0.00 0.00 174.94 173.24 2wr5 s ILE 9 N -1.21 5.12 0.35 0.00 -1.09 -0.96 -1.44 121.20 121.98 2wr5 s ILE 9 Ca 0.23 0.07 -0.10 0.00 -2.23 0.00 0.00 60.65 58.62 2wr5 s ILE 9 Cb -0.12 -3.24 0.03 0.00 -1.58 0.00 0.00 42.46 37.54 2wr5 s ILE 9 CO 0.14 0.57 0.63 -0.83 -1.23 0.00 0.00 174.94 174.22 2wr5 s GLY 10 N -0.60 0.82 0.10 6.18 0.00 -0.07 -4.85 107.32 108.90 2wr5 s GLY 10 Ca 0.12 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.79 2wr5 s GLY 10 CO 0.02 -0.60 -0.02 -2.52 0.00 0.00 0.00 173.10 169.98 2wr5 s TYR 11 N -2.83 0.80 0.48 1.90 1.13 -1.26 -0.91 117.35 116.67 2wr5 s TYR 11 Ca 0.22 -1.05 -0.21 0.00 -1.41 0.00 0.00 57.07 54.61 2wr5 s TYR 11 Cb -0.03 -0.49 -0.08 0.00 -1.10 0.00 0.00 41.96 40.27 2wr5 s TYR 11 CO 0.15 -0.32 1.09 -1.58 -2.51 0.00 0.00 175.55 172.38 2wr5 s HIS 12 N -3.83 2.91 0.02 -3.49 5.65 0.36 -1.32 115.29 115.59 2wr5 s HIS 12 Ca 0.14 1.57 -0.09 0.00 0.25 0.00 0.00 55.06 56.94 2wr5 s HIS 12 Cb 0.07 -3.21 0.00 0.00 -1.18 0.00 0.00 32.58 28.26 2wr5 s HIS 12 CO -0.04 -1.17 0.17 0.00 -0.65 0.00 0.00 174.74 173.05 2wr5 s ALA 13 N -1.77 -0.36 0.00 1.58 0.00 -1.10 -4.56 121.76 115.56 2wr5 s ALA 13 Ca 0.67 -0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.45 2wr5 s ALA 13 Cb -0.22 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.07 2wr5 s ALA 13 CO 0.26 -0.27 0.01 0.27 0.00 0.00 0.00 175.76 176.03 2wr5 n ASN 14 N 1.13 -0.02 -1.01 0.00 0.23 -1.26 -4.17 115.26 110.16 2wr5 n ASN 14 Ca -0.21 -1.03 0.04 0.00 -0.53 0.00 0.00 54.58 52.85 2wr5 n ASN 14 Cb 0.57 0.03 0.17 0.00 -2.08 0.00 0.00 39.78 38.47 2wr5 n ASN 14 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 2wr5 n ASN 15 N -2.31 2.83 -4.77 0.53 0.23 -1.26 -4.95 115.26 105.56 2wr5 n ASN 15 Ca 0.00 -2.33 -0.32 0.00 -0.53 0.00 0.00 54.58 51.40 2wr5 n ASN 15 Cb 0.01 -0.51 0.07 0.00 -2.08 0.00 0.00 39.78 37.27 2wr5 n ASN 15 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 2wr5 s SER 16 N -0.47 4.77 -0.03 0.53 0.15 -1.26 -4.98 113.70 112.40 2wr5 s SER 16 Ca 0.24 1.92 0.05 0.00 0.70 0.00 0.00 55.95 58.86 2wr5 s SER 16 Cb 0.17 -2.54 0.07 0.00 -1.71 0.00 0.00 66.02 62.02 2wr5 s SER 16 CO 0.09 -1.86 0.93 0.35 1.20 0.00 0.00 173.24 173.95 2wr5 n THR 17 N -2.98 0.61 -2.18 6.45 -2.24 -1.26 -4.88 114.28 107.79 2wr5 n THR 17 Ca 0.10 -0.70 -0.41 0.00 -2.27 0.00 0.00 64.05 60.76 2wr5 n THR 17 Cb 0.52 0.42 -0.03 0.00 -2.10 0.00 0.00 70.33 69.15 2wr5 n THR 17 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2wr5 s GLU 18 N -0.86 4.37 -0.10 -0.78 2.56 -1.26 -4.92 118.70 117.71 2wr5 s GLU 18 Ca 0.08 2.10 0.03 0.00 0.00 0.00 0.00 54.97 57.18 2wr5 s GLU 18 Cb 0.07 -3.18 -0.01 0.00 2.00 0.00 0.00 34.13 33.02 2wr5 s GLU 18 CO 0.01 -0.27 -0.20 0.15 -0.56 0.00 0.00 175.26 174.38 2wr5 s LYS 19 N -0.20 3.07 0.34 4.30 -0.14 -1.26 -0.79 119.74 125.04 2wr5 s LYS 19 Ca 0.57 -0.81 0.10 0.00 -1.36 0.00 0.00 55.97 54.46 2wr5 s LYS 19 Cb -0.37 -2.39 -0.06 0.00 -1.68 0.00 0.00 37.83 33.32 2wr5 s LYS 19 CO 0.39 0.24 -0.11 0.14 -0.76 0.00 0.00 175.35 175.26 2wr5 s VAL 20 N 0.22 2.29 0.12 3.17 -7.23 -0.90 -4.84 120.40 113.23 2wr5 s VAL 20 Ca -0.13 -2.23 0.06 0.00 -1.81 0.00 0.00 61.98 57.87 2wr5 s VAL 20 Cb -0.16 -2.60 -0.04 0.00 0.56 0.00 0.00 36.38 34.13 2wr5 s VAL 20 CO 0.07 -0.23 0.01 -1.81 -0.31 0.00 0.00 175.10 172.83 2wr5 s ASP 21 N -3.60 4.98 0.37 4.85 1.01 -1.26 -1.50 116.67 121.52 2wr5 s ASP 21 Ca 0.32 -0.24 0.04 0.00 0.71 0.00 0.00 52.55 53.39 2wr5 s ASP 21 Cb 0.01 -1.16 -0.05 0.00 1.01 0.00 0.00 42.92 42.73 2wr5 s ASP 21 CO 0.16 0.14 0.06 0.42 0.21 0.00 0.00 175.17 176.17 2wr5 s THR 22 N -1.45 1.17 0.22 -1.27 -4.23 0.10 -4.51 115.64 105.68 2wr5 s THR 22 Ca 0.26 -2.00 -0.07 0.00 -1.18 0.00 0.00 61.69 58.70 2wr5 s THR 22 Cb -0.11 -2.67 0.17 0.00 1.34 0.00 0.00 72.50 71.23 2wr5 s THR 22 CO 0.19 0.00 1.77 0.40 -0.54 0.00 0.00 174.62 176.44 2wr5 h ILE 23 N 1.93 0.82 0.00 2.99 1.08 -1.82 -3.05 117.51 119.46 2wr5 h ILE 23 Ca -0.40 -0.19 0.00 0.00 -0.39 0.00 0.00 64.86 63.88 2wr5 h ILE 23 Cb 1.26 0.22 0.00 0.00 -3.07 0.00 0.00 36.82 35.23 2wr5 h ILE 23 CO 0.69 0.10 -1.11 0.18 -0.69 0.00 0.00 178.15 177.32 2wr5 n LEU 24 N -4.90 0.60 -4.00 1.44 4.77 -1.26 -4.99 117.00 108.65 2wr5 n LEU 24 Ca 0.11 -0.07 -0.12 0.00 -0.03 0.00 0.00 56.01 55.90 2wr5 n LEU 24 Cb 0.28 -0.08 -0.12 0.00 -2.33 0.00 0.00 43.42 41.18 2wr5 n LEU 24 CO 0.24 0.06 -0.38 -1.61 -1.33 0.00 0.00 177.39 174.37 2wr5 s GLU 25 N -3.20 0.39 0.18 3.23 2.02 -1.15 -5.16 118.70 115.00 2wr5 s GLU 25 Ca 0.03 -0.58 0.11 0.00 0.02 0.00 0.00 54.97 54.55 2wr5 s GLU 25 Cb 0.15 -0.12 -0.04 0.00 0.10 0.00 0.00 34.13 34.21 2wr5 s GLU 25 CO 0.82 0.01 -0.23 1.03 0.02 0.00 0.00 175.26 176.91 2wr5 s ARG 26 N -1.27 1.57 -1.22 1.61 1.81 -1.26 0.01 118.95 120.19 2wr5 s ARG 26 Ca -0.10 -1.46 -0.23 0.00 -1.72 0.00 0.00 55.73 52.21 2wr5 s ARG 26 Cb -0.08 -1.90 0.02 0.00 -0.45 0.00 0.00 34.95 32.53 2wr5 s ARG 26 CO -0.00 0.41 0.66 0.09 -0.68 0.00 0.00 175.30 175.78 2wr5 n ASN 27 N 0.35 -3.90 -4.50 0.23 3.02 -1.23 -4.92 115.26 104.31 2wr5 n ASN 27 Ca -0.13 -1.15 -0.42 0.00 -0.03 0.00 0.00 54.58 52.85 2wr5 n ASN 27 Cb 0.55 -2.53 -0.10 0.00 -0.61 0.00 0.00 39.78 37.09 2wr5 n ASN 27 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wr5 s VAL 28 N -3.60 5.20 0.18 2.41 1.01 -0.56 -4.87 120.40 120.17 2wr5 s VAL 28 Ca 0.40 -0.35 -0.31 0.00 0.00 0.00 0.00 61.98 61.72 2wr5 s VAL 28 Cb -0.18 -3.90 -0.10 0.00 0.00 0.00 0.00 36.38 32.20 2wr5 s VAL 28 CO 0.92 -0.24 1.50 -0.89 0.00 0.00 0.00 175.10 176.39 2wr5 s THR 29 N 1.88 2.73 0.09 3.92 2.01 -1.25 -2.12 115.64 122.89 2wr5 s THR 29 Ca 0.08 0.55 0.05 0.00 0.31 0.00 0.00 61.69 62.68 2wr5 s THR 29 Cb -0.18 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 68.95 2wr5 s THR 29 CO 0.11 0.06 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.28 2wr5 s VAL 30 N 0.78 1.08 0.04 3.82 1.01 0.03 -1.14 120.40 126.02 2wr5 s VAL 30 Ca 0.66 -1.47 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 2wr5 s VAL 30 Cb -0.42 -1.21 -0.17 0.00 0.00 0.00 0.00 36.38 34.58 2wr5 s VAL 30 CO 0.35 -0.36 1.41 0.74 0.00 0.00 0.00 175.10 177.23 2wr5 h THR 31 N 3.95 0.00 -3.96 3.92 2.02 -1.02 -3.38 112.91 114.44 2wr5 h THR 31 Ca -0.39 -0.04 -0.32 0.00 0.77 0.00 0.00 66.41 66.44 2wr5 h THR 31 Cb 1.19 0.00 -0.22 0.00 -1.74 0.00 0.00 68.15 67.38 2wr5 h THR 31 CO 0.46 0.00 -0.75 -1.00 0.37 0.00 0.00 175.52 174.60 2wr5 s HIS 32 N -5.29 0.77 0.18 3.16 3.76 -1.26 -4.84 115.29 111.78 2wr5 s HIS 32 Ca -0.16 -0.43 -0.10 0.00 -0.15 0.00 0.00 55.06 54.23 2wr5 s HIS 32 Cb 0.02 -0.46 -0.01 0.00 1.11 0.00 0.00 32.58 33.24 2wr5 s HIS 32 CO 0.47 -0.04 0.33 0.00 -0.85 0.00 0.00 174.74 174.65 2wr5 s ALA 33 N -1.16 -0.05 -0.04 -1.40 0.00 -1.26 -0.50 121.76 117.35 2wr5 s ALA 33 Ca -0.06 -0.88 -0.00 0.00 0.00 0.00 0.00 51.96 51.02 2wr5 s ALA 33 Cb -0.09 0.93 0.03 0.00 0.00 0.00 0.00 23.12 23.99 2wr5 s ALA 33 CO 0.01 -0.69 -0.00 0.21 0.00 0.00 0.00 175.76 175.28 2wr5 s LYS 34 N -3.98 0.44 -0.19 0.00 2.20 -0.34 -4.88 119.74 113.00 2wr5 s LYS 34 Ca 0.19 0.08 -0.28 0.00 -0.36 0.00 0.00 55.97 55.59 2wr5 s LYS 34 Cb 0.02 -0.67 -0.00 0.00 -1.51 0.00 0.00 37.83 35.67 2wr5 s LYS 34 CO 0.02 -0.18 0.99 0.34 -0.36 0.00 0.00 175.35 176.16 2wr5 s ASP 35 N 1.35 7.11 -0.21 1.43 2.15 -1.26 -0.14 116.67 127.09 2wr5 s ASP 35 Ca -0.05 1.38 0.12 0.00 0.43 0.00 0.00 52.55 54.43 2wr5 s ASP 35 Cb -0.13 -2.53 0.73 0.00 -0.30 0.00 0.00 42.92 40.68 2wr5 s ASP 35 CO -0.02 -0.56 1.60 2.30 -0.17 0.00 0.00 175.17 178.32 2wr5 n ILE 36 N 5.01 2.44 -4.08 4.11 -5.35 -0.24 -4.85 119.36 116.39 2wr5 n ILE 36 Ca 0.10 -1.23 -0.32 0.00 -0.27 0.00 0.00 62.75 61.02 2wr5 n ILE 36 Cb 0.47 -0.31 -0.16 0.00 -1.74 0.00 0.00 39.64 37.91 2wr5 n ILE 36 CO 0.00 0.00 0.00 -0.22 -1.76 0.00 0.00 176.55 174.57 2wr5 s LEU 37 N -2.43 2.70 -0.07 7.28 2.96 -1.26 -3.64 118.68 124.22 2wr5 s LEU 37 Ca 0.48 -0.99 -0.30 0.00 -0.22 0.00 0.00 54.13 53.10 2wr5 s LEU 37 Cb 0.37 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.56 2wr5 s LEU 37 CO 0.14 -0.10 0.99 -0.70 -1.32 0.00 0.00 176.35 175.37 2wr5 s GLU 38 N 1.23 4.47 -0.03 1.98 2.56 0.17 -4.92 118.70 124.15 2wr5 s GLU 38 Ca -0.02 1.39 0.04 0.00 0.00 0.00 0.00 54.97 56.39 2wr5 s GLU 38 Cb -0.16 -3.52 0.07 0.00 2.00 0.00 0.00 34.13 32.52 2wr5 s GLU 38 CO -0.09 -0.23 0.92 0.36 -0.56 0.00 0.00 175.26 175.66 2wr5 n LYS 39 N 4.64 0.65 -4.92 4.30 2.85 -1.26 -2.43 118.16 121.98 2wr5 n LYS 39 Ca 0.08 -1.30 -0.33 0.00 -1.05 0.00 0.00 58.31 55.71 2wr5 n LYS 39 Cb 0.49 -0.79 -0.14 0.00 -0.65 0.00 0.00 35.03 33.95 2wr5 n LYS 39 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2wr5 s THR 40 N -0.77 2.90 0.39 0.58 -4.23 -1.26 -4.87 115.64 108.37 2wr5 s THR 40 Ca 0.07 -0.76 0.06 0.00 -1.18 0.00 0.00 61.69 59.88 2wr5 s THR 40 Cb 0.06 -2.14 -0.08 0.00 1.34 0.00 0.00 72.50 71.68 2wr5 s THR 40 CO 0.01 0.57 0.02 -1.38 -0.54 0.00 0.00 174.62 173.30 2wr5 s HIS 41 N -0.40 2.38 -1.68 3.99 -3.43 -1.26 -4.65 115.29 110.24 2wr5 s HIS 41 Ca 0.04 -0.74 0.20 0.00 -0.80 0.00 0.00 55.06 53.76 2wr5 s HIS 41 Cb -0.12 -1.64 0.64 0.00 -1.43 0.00 0.00 32.58 30.02 2wr5 s HIS 41 CO 0.02 0.34 1.54 0.27 -2.00 0.00 0.00 174.74 174.91 2wr5 n ASN 42 N -0.89 4.02 0.00 7.38 6.94 -0.46 -4.90 115.26 127.35 2wr5 n ASN 42 Ca -0.04 -2.16 0.00 0.00 -0.02 0.00 0.00 54.58 52.35 2wr5 n ASN 42 Cb 0.67 -0.50 0.00 0.00 -2.36 0.00 0.00 39.78 37.59 2wr5 n ASN 42 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wr5 n GLY 43 N 1.41 0.00 3.70 4.83 0.00 -1.26 -4.81 105.19 109.06 2wr5 n GLY 43 Ca 0.24 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.00 2wr5 n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr5 s LYS 44 N -1.73 2.53 -0.33 1.61 1.02 -1.26 -4.78 119.74 116.80 2wr5 s LYS 44 Ca 0.00 -1.07 -0.11 0.00 0.02 0.00 0.00 55.97 54.81 2wr5 s LYS 44 Cb 0.00 -2.42 -0.01 0.00 -0.52 0.00 0.00 37.83 34.88 2wr5 s LYS 44 CO 0.00 0.45 0.19 -1.17 -0.92 0.00 0.00 175.35 173.90 2wr5 s LEU 45 N -3.06 4.30 0.38 3.17 2.96 -1.26 -2.16 118.68 123.01 2wr5 s LEU 45 Ca 0.29 -0.50 0.08 0.00 -0.22 0.00 0.00 54.13 53.77 2wr5 s LEU 45 Cb -0.09 -2.06 -0.05 0.00 0.50 0.00 0.00 46.19 44.49 2wr5 s LEU 45 CO 0.20 -0.22 0.15 0.00 -1.32 0.00 0.00 176.35 175.16 2wr5 s ARG 47 N -3.86 3.69 -0.40 0.00 1.70 -1.22 -4.74 118.95 114.11 2wr5 s ARG 47 Ca 0.39 0.40 -0.06 0.00 -0.47 0.00 0.00 55.73 55.99 2wr5 s ARG 47 Cb 0.01 -2.37 0.09 0.00 -0.57 0.00 0.00 34.95 32.11 2wr5 s ARG 47 CO 0.22 -0.12 0.20 -1.17 -1.08 0.00 0.00 175.30 173.35 2wr5 s LEU 48 N -4.22 5.04 -1.46 -1.89 2.96 0.63 -2.04 118.68 117.70 2wr5 s LEU 48 Ca 0.50 -1.71 -0.09 0.00 -0.22 0.00 0.00 54.13 52.62 2wr5 s LEU 48 Cb -0.10 -1.88 0.04 0.00 0.50 0.00 0.00 46.19 44.74 2wr5 s LEU 48 CO 0.37 -0.51 0.81 -1.20 -1.32 0.00 0.00 176.35 174.50 2wr5 n SER 49 N 4.74 -5.50 0.00 3.68 7.64 -0.92 -2.49 113.62 120.77 2wr5 n SER 49 Ca -0.07 -0.47 0.00 0.00 1.01 0.00 0.00 58.87 59.34 2wr5 n SER 49 Cb 0.42 -4.42 0.00 0.00 -1.01 0.00 0.00 64.21 59.21 2wr5 n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2wr5 n GLY 50 N -1.62 2.16 3.46 0.23 0.00 -1.26 -5.05 105.19 103.12 2wr5 n GLY 50 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 2wr5 n GLY 50 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wr5 s ILE 51 N -2.60 3.66 0.79 -0.61 1.01 -1.04 -5.05 121.20 117.36 2wr5 s ILE 51 Ca 0.00 -0.44 -0.11 0.00 0.00 0.00 0.00 60.65 60.09 2wr5 s ILE 51 Cb 0.00 -2.58 0.07 0.00 0.01 0.00 0.00 42.46 39.96 2wr5 s ILE 51 CO 0.00 0.50 1.16 -2.16 0.00 0.00 0.00 174.94 174.44 2wr5 s PRO 52 N 0.34 2.06 0.25 2.79 0.05 -1.26 -0.27 135.00 138.96 2wr5 s PRO 52 Ca -0.06 0.11 -0.17 0.00 0.05 0.00 0.00 61.00 60.93 2wr5 s PRO 52 Cb -0.15 -1.98 -0.08 0.00 0.05 0.00 0.00 34.50 32.34 2wr5 s PRO 52 CO 0.04 -1.51 0.70 -1.25 0.05 0.00 0.00 177.00 175.03 2wr5 s PRO 53 N -5.53 4.12 -0.13 0.56 0.05 -1.26 -0.89 135.00 131.92 2wr5 s PRO 53 Ca 0.61 0.74 -0.29 0.00 0.05 0.00 0.00 61.00 62.11 2wr5 s PRO 53 Cb -0.11 -2.72 -0.04 0.00 0.05 0.00 0.00 34.50 31.68 2wr5 s PRO 53 CO 0.49 0.32 1.53 -1.17 0.05 0.00 0.00 177.00 178.21 2wr5 s LEU 54 N -2.35 4.16 -0.35 -3.56 2.96 -0.22 -4.92 118.68 114.40 2wr5 s LEU 54 Ca 0.46 1.90 -0.14 0.00 -0.22 0.00 0.00 54.13 56.14 2wr5 s LEU 54 Cb -0.14 -3.53 -0.01 0.00 0.50 0.00 0.00 46.19 43.01 2wr5 s LEU 54 CO 0.20 -0.97 0.29 -1.61 -1.32 0.00 0.00 176.35 172.94 2wr5 s GLU 55 N 4.06 3.43 0.00 1.98 2.02 -1.26 -1.70 118.70 127.22 2wr5 s GLU 55 Ca 0.67 -0.63 0.26 0.00 0.02 0.00 0.00 54.97 55.29 2wr5 s GLU 55 Cb -0.28 -3.84 1.01 0.00 0.10 0.00 0.00 34.13 31.13 2wr5 s GLU 55 CO 0.25 -0.53 1.71 1.28 0.02 0.00 0.00 175.26 178.00 2wr5 n LEU 56 N 5.22 1.45 0.00 1.80 4.77 -0.92 -4.95 117.00 124.36 2wr5 n LEU 56 Ca -0.11 -0.52 0.00 0.00 -0.03 0.00 0.00 56.01 55.35 2wr5 n LEU 56 Cb 0.49 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.55 2wr5 n LEU 56 CO 0.39 0.26 0.00 0.61 -1.33 0.00 0.00 177.39 177.32 2wr5 n GLY 57 N 1.15 3.69 2.63 -0.72 0.00 -1.26 -0.93 105.19 109.75 2wr5 n GLY 57 Ca 0.18 -0.01 -0.29 0.00 0.00 0.00 0.00 46.02 45.90 2wr5 n GLY 57 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wr5 n ASP 58 N 5.59 5.09 -4.65 1.61 5.75 -1.26 -4.29 116.55 124.39 2wr5 n ASP 58 Ca 0.00 -3.73 -0.23 0.00 -0.01 0.00 0.00 54.79 50.82 2wr5 n ASP 58 Cb 0.00 -0.58 -0.07 0.00 -1.03 0.00 0.00 41.12 39.44 2wr5 n ASP 58 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wr5 s SER 60 N -3.70 6.07 0.29 0.00 1.04 -0.86 -4.73 113.70 111.81 2wr5 s SER 60 Ca 0.33 0.11 0.01 0.00 0.48 0.00 0.00 55.95 56.87 2wr5 s SER 60 Cb -0.05 -1.59 0.53 0.00 0.10 0.00 0.00 66.02 65.01 2wr5 s SER 60 CO 0.20 -0.40 1.87 0.40 0.98 0.00 0.00 173.24 176.30 2wr5 h ILE 61 N 0.80 1.00 0.03 -1.02 2.04 -1.97 0.58 117.51 118.97 2wr5 h ILE 61 Ca -0.48 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.03 2wr5 h ILE 61 Cb 1.24 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2wr5 h ILE 61 CO 0.57 0.19 -0.01 0.00 0.00 0.00 0.00 178.15 178.90 2wr5 h ALA 62 N 1.51 -0.04 -0.94 1.87 0.00 -1.94 0.07 119.26 119.79 2wr5 h ALA 62 Ca 0.44 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.38 2wr5 h ALA 62 Cb 0.33 0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 2wr5 h ALA 62 CO -0.20 -0.47 0.61 0.78 0.00 0.00 0.00 179.25 179.97 2wr5 h GLY 63 N -0.14 1.42 0.67 0.00 0.00 -1.45 -0.93 103.07 102.64 2wr5 h GLY 63 Ca -0.00 -0.41 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 2wr5 h GLY 63 CO 0.01 0.24 -0.12 -0.25 0.00 0.00 0.00 176.54 176.42 2wr5 h TRP 64 N 1.00 -0.32 -0.72 5.60 7.01 -0.53 -0.28 115.95 127.71 2wr5 h TRP 64 Ca 0.43 -0.01 -0.07 0.00 2.11 0.00 0.00 58.89 61.36 2wr5 h TRP 64 Cb 0.33 0.11 -0.03 0.00 -2.10 0.00 0.00 29.16 27.47 2wr5 h TRP 64 CO -0.00 0.01 0.19 -0.07 -2.79 0.00 0.00 178.44 175.77 2wr5 h LEU 65 N -0.68 1.07 -0.58 0.65 3.38 -0.63 -2.73 115.31 115.79 2wr5 h LEU 65 Ca -0.04 -0.22 -0.15 0.00 0.09 0.00 0.00 57.88 57.57 2wr5 h LEU 65 Cb 0.47 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2wr5 h LEU 65 CO 0.06 1.01 -0.47 -0.07 0.09 0.00 0.00 178.44 179.06 2wr5 h LEU 66 N 1.08 0.63 -0.00 1.67 3.38 -1.26 -3.45 115.31 117.36 2wr5 h LEU 66 Ca 0.23 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.89 2wr5 h LEU 66 Cb 0.35 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2wr5 h LEU 66 CO -0.00 1.00 0.00 0.61 0.09 0.00 0.00 178.44 180.14 2wr5 n GLY 67 N 0.12 1.04 3.55 0.83 0.00 -0.84 -1.28 105.19 108.61 2wr5 n GLY 67 Ca -0.02 -0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.47 2wr5 n GLY 67 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wr5 n ASN 68 N 0.00 0.95 0.28 1.61 2.85 -0.17 -0.26 115.26 120.51 2wr5 n ASN 68 Ca 0.00 1.14 0.14 0.00 -0.11 0.00 0.00 54.58 55.75 2wr5 n ASN 68 Cb 0.00 -1.12 0.83 0.00 1.24 0.00 0.00 39.78 40.74 2wr5 n ASN 68 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 2wr5 h PRO 69 N 3.54 0.00 0.00 1.20 0.11 -1.90 -1.26 132.00 133.69 2wr5 h PRO 69 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2wr5 h PRO 69 Cb 1.37 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.48 2wr5 h PRO 69 CO 0.71 0.06 0.00 0.39 -0.21 0.00 0.00 178.00 178.95 2wr5 n GLU 70 N -3.71 0.15 -0.94 1.05 -0.58 -1.26 -2.91 120.64 112.44 2wr5 n GLU 70 Ca -0.02 0.15 -0.10 0.00 -0.42 0.00 0.00 57.16 56.77 2wr5 n GLU 70 Cb 0.16 -1.50 0.21 0.00 -0.57 0.00 0.00 31.44 29.74 2wr5 n GLU 70 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wr5 h ASP 72 N 1.19 -0.04 -0.12 0.00 3.45 -1.69 -3.27 116.42 115.94 2wr5 h ASP 72 Ca 0.34 -0.61 -0.24 0.00 0.43 0.00 0.00 57.03 56.95 2wr5 h ASP 72 Cb 2.09 0.01 -0.08 0.00 -0.56 0.00 0.00 39.33 40.79 2wr5 h ASP 72 CO 0.63 0.62 -0.17 0.54 -1.57 0.00 0.00 179.24 179.29 2wr5 n ARG 73 N -4.79 2.10 -0.00 3.56 1.74 -1.26 -4.50 116.66 113.50 2wr5 n ARG 73 Ca -0.09 -1.19 -0.21 0.00 -0.77 0.00 0.00 57.85 55.59 2wr5 n ARG 73 Cb 0.32 -2.04 -0.14 0.00 -1.02 0.00 0.00 32.46 29.58 2wr5 n ARG 73 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2wr5 h LEU 74 N 4.94 0.35 -1.57 0.55 7.12 -1.93 -3.51 115.31 121.27 2wr5 h LEU 74 Ca 0.23 -0.84 0.00 0.00 0.13 0.00 0.00 57.88 57.41 2wr5 h LEU 74 Cb 1.39 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.41 2wr5 h LEU 74 CO 0.35 1.64 -0.24 -0.11 -0.13 0.00 0.00 178.44 179.95 2wr5 n LEU 75 N -3.90 -3.08 -3.95 2.25 7.94 -1.26 -4.96 117.00 110.03 2wr5 n LEU 75 Ca -0.27 0.75 -0.30 0.00 -1.11 0.00 0.00 56.01 55.08 2wr5 n LEU 75 Cb 0.90 -1.54 -0.15 0.00 0.53 0.00 0.00 43.42 43.15 2wr5 n LEU 75 CO 0.39 -0.59 -0.42 -0.55 -1.11 0.00 0.00 177.39 175.12 2wr5 s SER 76 N -0.14 3.97 0.78 1.96 0.15 -1.26 -4.84 113.70 114.33 2wr5 s SER 76 Ca 0.00 -1.28 -0.12 0.00 0.70 0.00 0.00 55.95 55.24 2wr5 s SER 76 Cb 0.00 -1.23 0.07 0.00 -1.71 0.00 0.00 66.02 63.15 2wr5 s SER 76 CO 0.00 -0.25 1.15 0.68 1.20 0.00 0.00 173.24 176.02 2wr5 s VAL 77 N 1.35 2.63 -2.19 4.45 -7.23 -1.26 -4.95 120.40 113.20 2wr5 s VAL 77 Ca -0.04 0.25 0.27 0.00 -1.81 0.00 0.00 61.98 60.64 2wr5 s VAL 77 Cb -0.19 -2.63 0.38 0.00 0.56 0.00 0.00 36.38 34.50 2wr5 s VAL 77 CO -0.07 -0.23 1.61 -2.65 -0.31 0.00 0.00 175.10 173.45 2wr5 n PRO 78 N -3.32 1.33 0.00 4.82 -0.02 -1.26 -4.83 135.00 131.72 2wr5 n PRO 78 Ca 0.11 -0.83 0.00 0.00 -2.02 0.00 0.00 63.50 60.77 2wr5 n PRO 78 Cb 0.52 -1.48 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 2wr5 n PRO 78 CO 0.00 0.00 0.00 -1.91 1.98 0.00 0.00 175.50 175.57 2wr5 n GLU 79 N -0.11 0.00 -1.76 -0.52 2.13 -1.26 -1.06 120.64 118.05 2wr5 n GLU 79 Ca 0.15 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.97 2wr5 n GLU 79 Cb 0.37 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.08 2wr5 n GLU 79 CO 0.00 0.00 0.00 -2.67 -0.41 0.00 0.00 177.13 174.05 2wr5 n TRP 80 N -1.10 -4.12 0.45 4.31 2.14 -1.24 -3.75 117.44 114.14 2wr5 n TRP 80 Ca 0.00 2.16 0.06 0.00 2.07 0.00 0.00 57.50 61.79 2wr5 n TRP 80 Cb 0.00 -3.23 -0.07 0.00 -0.81 0.00 0.00 31.31 27.19 2wr5 n TRP 80 CO 0.00 0.00 0.00 -1.13 2.07 0.00 0.00 177.69 178.63 2wr5 n SER 81 N -0.11 0.89 -3.38 -0.67 3.41 -0.07 -2.72 113.62 110.97 2wr5 n SER 81 Ca 0.00 -0.63 -0.07 0.00 -0.26 0.00 0.00 58.87 57.91 2wr5 n SER 81 Cb 0.00 1.12 0.00 0.00 -0.26 0.00 0.00 64.21 65.07 2wr5 n SER 81 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2wr5 s TYR 82 N -2.29 -0.02 0.01 7.33 -0.85 -1.25 -4.65 117.35 115.64 2wr5 s TYR 82 Ca 0.03 -0.52 0.09 0.00 -0.52 0.00 0.00 57.07 56.15 2wr5 s TYR 82 Cb 0.09 0.76 -0.02 0.00 0.38 0.00 0.00 41.96 43.17 2wr5 s TYR 82 CO 0.50 -1.32 -0.26 0.42 -1.52 0.00 0.00 175.55 173.37 2wr5 s ILE 83 N -2.97 2.10 -0.15 -3.49 1.01 -1.06 -1.06 121.20 115.58 2wr5 s ILE 83 Ca 0.14 -1.26 -0.01 0.00 0.00 0.00 0.00 60.65 59.52 2wr5 s ILE 83 Cb -0.05 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.64 2wr5 s ILE 83 CO 0.08 0.47 -0.11 -0.69 0.00 0.00 0.00 174.94 174.70 2wr5 s VAL 84 N -0.71 3.18 -0.05 2.92 1.01 -0.69 -0.29 120.40 125.77 2wr5 s VAL 84 Ca 0.11 -0.60 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 2wr5 s VAL 84 Cb -0.10 -2.36 0.02 0.00 0.00 0.00 0.00 36.38 33.94 2wr5 s VAL 84 CO 0.01 0.50 0.26 -0.70 0.00 0.00 0.00 175.10 175.17 2wr5 s GLU 85 N 0.57 0.48 0.54 2.72 2.12 -1.14 -2.17 118.70 121.82 2wr5 s GLU 85 Ca -0.07 0.02 -0.18 0.00 0.36 0.00 0.00 54.97 55.10 2wr5 s GLU 85 Cb -0.15 0.22 -0.06 0.00 0.26 0.00 0.00 34.13 34.39 2wr5 s GLU 85 CO 0.03 -0.11 1.04 0.15 -0.54 0.00 0.00 175.26 175.84 2wr5 s LYS 86 N -0.70 3.57 0.26 4.30 1.02 -1.26 -3.01 119.74 123.92 2wr5 s LYS 86 Ca -0.08 1.24 -0.01 0.00 0.02 0.00 0.00 55.97 57.14 2wr5 s LYS 86 Cb -0.04 -2.07 0.55 0.00 -0.52 0.00 0.00 37.83 35.75 2wr5 s LYS 86 CO 0.02 -0.61 1.72 1.49 -0.92 0.00 0.00 175.35 177.05 2wr5 h GLU 87 N 0.93 0.42 -2.77 1.68 4.57 -1.93 -3.32 114.58 114.16 2wr5 h GLU 87 Ca -0.48 -0.02 -0.58 0.00 -1.18 0.00 0.00 59.36 57.10 2wr5 h GLU 87 Cb 1.22 -0.09 -0.39 0.00 -0.16 0.00 0.00 28.75 29.32 2wr5 h GLU 87 CO 0.58 0.27 -0.81 1.21 -1.18 0.00 0.00 179.01 179.09 2wr5 s ASN 88 N -5.29 3.28 0.68 1.04 2.47 -1.26 -5.14 114.94 110.72 2wr5 s ASN 88 Ca -0.12 -2.03 -0.15 0.00 0.42 0.00 0.00 52.86 50.98 2wr5 s ASN 88 Cb 0.22 -0.53 0.01 0.00 -1.45 0.00 0.00 41.25 39.51 2wr5 s ASN 88 CO 0.77 -0.34 1.13 -2.84 -3.72 0.00 0.00 177.10 172.10 2wr5 s PRO 89 N 1.21 2.61 -0.01 0.43 0.02 -1.25 -4.98 135.00 133.04 2wr5 s PRO 89 Ca 0.15 1.46 0.20 0.00 0.02 0.00 0.00 61.00 62.84 2wr5 s PRO 89 Cb -0.21 -1.92 -0.25 0.00 0.02 0.00 0.00 34.50 32.14 2wr5 s PRO 89 CO -0.09 -1.41 0.73 0.25 -0.33 0.00 0.00 177.00 176.16 2wr5 n THR 90 N -2.55 0.00 -3.87 0.99 -2.24 -1.08 -4.70 114.28 100.83 2wr5 n THR 90 Ca 0.11 -0.16 -0.29 0.00 -2.27 0.00 0.00 64.05 61.44 2wr5 n THR 90 Cb 0.52 0.72 -0.13 0.00 -2.10 0.00 0.00 70.33 69.34 2wr5 n THR 90 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 2wr5 s ASN 91 N -3.31 4.24 0.00 3.42 0.01 -1.07 -5.01 114.94 113.21 2wr5 s ASN 91 Ca 0.03 -3.21 0.00 0.00 -0.71 0.00 0.00 52.86 48.97 2wr5 s ASN 91 Cb 0.15 -1.49 0.00 0.00 0.41 0.00 0.00 41.25 40.32 2wr5 s ASN 91 CO 0.83 -0.19 0.00 0.61 -1.51 0.00 0.00 177.10 176.84 2wr5 n GLY 92 N 2.82 1.03 3.55 0.66 0.00 -1.26 -2.03 105.19 109.96 2wr5 n GLY 92 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.73 2wr5 n GLY 92 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wr5 s LEU 93 N 0.00 3.31 0.30 0.99 1.43 -1.26 -4.20 118.68 119.25 2wr5 s LEU 93 Ca 0.00 -0.81 -0.00 0.00 -1.03 0.00 0.00 54.13 52.28 2wr5 s LEU 93 Cb 0.00 -2.56 0.50 0.00 0.03 0.00 0.00 46.19 44.15 2wr5 s LEU 93 CO 0.00 -1.81 1.92 0.00 0.23 0.00 0.00 176.35 176.69 2wr5 s TYR 95 N -5.92 3.36 0.49 0.00 5.04 -1.26 -4.68 117.35 114.38 2wr5 s TYR 95 Ca -0.12 0.82 -0.23 0.00 -2.44 0.00 0.00 57.07 55.11 2wr5 s TYR 95 Cb 0.19 -2.73 -0.08 0.00 0.35 0.00 0.00 41.96 39.69 2wr5 s TYR 95 CO 0.80 -0.16 1.17 -2.30 -1.34 0.00 0.00 175.55 173.72 2wr5 n PRO 96 N 5.00 1.52 -3.76 4.97 -0.02 -1.26 -4.73 135.00 136.71 2wr5 n PRO 96 Ca -0.03 0.55 0.00 0.00 -2.02 0.00 0.00 63.50 62.00 2wr5 n PRO 96 Cb 0.50 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.67 2wr5 n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wr5 n GLY 97 N 0.98 -2.40 3.01 -1.23 0.00 -1.26 -1.09 105.19 103.21 2wr5 n GLY 97 Ca 0.10 -1.24 -0.24 0.00 0.00 0.00 0.00 46.02 44.63 2wr5 n GLY 97 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wr5 n SER 98 N 2.29 2.86 -3.44 1.61 3.41 -0.96 -4.92 113.62 114.46 2wr5 n SER 98 Ca 0.00 -2.70 -0.18 0.00 -0.26 0.00 0.00 58.87 55.73 2wr5 n SER 98 Cb 0.00 0.16 -0.11 0.00 -0.26 0.00 0.00 64.21 64.00 2wr5 n SER 98 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2wr5 s PHE 99 N -2.38 -0.35 0.27 7.33 5.36 -1.26 -2.47 117.98 124.48 2wr5 s PHE 99 Ca 0.10 -0.03 -0.30 0.00 -0.96 0.00 0.00 56.93 55.74 2wr5 s PHE 99 Cb -0.01 -0.43 -0.13 0.00 -0.34 0.00 0.00 43.02 42.11 2wr5 s PHE 99 CO 0.06 -0.79 1.39 0.09 -1.46 0.00 0.00 175.22 174.52 2wr5 n ASN 100 N 5.31 2.85 -3.84 6.13 3.02 0.19 -2.32 115.26 126.60 2wr5 n ASN 100 Ca -0.04 1.16 -0.27 0.00 -0.03 0.00 0.00 54.58 55.40 2wr5 n ASN 100 Cb 0.47 -1.46 0.03 0.00 -0.61 0.00 0.00 39.78 38.21 2wr5 n ASN 100 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2wr5 n ASP 101 N 1.77 -3.69 -0.06 6.41 8.00 -1.26 -4.68 116.55 123.04 2wr5 n ASP 101 Ca 0.09 -0.79 -0.10 0.00 0.71 0.00 0.00 54.79 54.71 2wr5 n ASP 101 Cb 0.33 -3.96 -0.03 0.00 -0.02 0.00 0.00 41.12 37.45 2wr5 n ASP 101 CO 0.00 0.00 0.00 0.22 -0.39 0.00 0.00 177.20 177.03 2wr5 h TYR 102 N -2.04 0.28 -0.47 1.24 3.20 -1.87 -2.16 116.97 115.15 2wr5 h TYR 102 Ca -0.59 0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.23 2wr5 h TYR 102 Cb 1.37 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.52 2wr5 h TYR 102 CO 0.53 0.18 0.04 0.93 -1.64 0.00 0.00 178.16 178.20 2wr5 h GLU 103 N 0.31 0.75 -0.51 1.82 3.07 -1.90 -0.85 114.58 117.27 2wr5 h GLU 103 Ca 0.09 -0.18 -0.06 0.00 -0.50 0.00 0.00 59.36 58.71 2wr5 h GLU 103 Cb -0.03 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 27.76 2wr5 h GLU 103 CO -0.03 0.74 0.06 0.93 -1.40 0.00 0.00 179.01 179.31 2wr5 h GLU 104 N 0.72 0.82 -0.41 2.33 4.39 -1.90 -0.83 114.58 119.69 2wr5 h GLU 104 Ca 0.15 -0.20 -0.04 0.00 0.34 0.00 0.00 59.36 59.62 2wr5 h GLU 104 Cb 0.38 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2wr5 h GLU 104 CO 0.01 0.78 0.12 1.25 -1.16 0.00 0.00 179.01 180.01 2wr5 h LEU 105 N 0.78 0.61 -0.45 1.33 5.85 -0.64 -1.73 115.31 121.06 2wr5 h LEU 105 Ca 0.16 -0.22 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 2wr5 h LEU 105 Cb 0.38 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.23 2wr5 h LEU 105 CO 0.01 0.67 0.25 0.11 -0.34 0.00 0.00 178.44 179.14 2wr5 h LYS 106 N 0.53 0.63 -0.60 1.25 1.57 -0.94 -2.10 116.57 116.90 2wr5 h LYS 106 Ca 0.13 -0.07 0.05 0.00 -1.87 0.00 0.00 60.65 58.89 2wr5 h LYS 106 Cb 0.28 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2wr5 h LYS 106 CO -0.00 0.50 0.40 1.25 -0.57 0.00 0.00 179.45 181.02 2wr5 h HIS 107 N 0.59 0.62 -0.22 -1.35 2.76 -0.96 -1.95 115.15 114.64 2wr5 h HIS 107 Ca 0.16 0.02 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 2wr5 h HIS 107 Cb 0.05 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 28.80 2wr5 h HIS 107 CO -0.02 0.34 0.08 1.25 -1.30 0.00 0.00 177.93 178.29 2wr5 h LEU 108 N 0.63 0.30 -0.57 0.26 6.46 -0.68 -3.07 115.31 118.64 2wr5 h LEU 108 Ca 0.25 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 2wr5 h LEU 108 Cb 0.20 -0.08 0.00 0.00 -0.73 0.00 0.00 40.66 40.05 2wr5 h LEU 108 CO -0.07 0.39 0.00 0.18 -0.62 0.00 0.00 178.44 178.32 2wr5 n LEU 109 N -4.81 0.79 0.06 2.25 4.77 -0.76 -4.20 117.00 115.10 2wr5 n LEU 109 Ca -0.04 -0.40 -0.02 0.00 -0.03 0.00 0.00 56.01 55.53 2wr5 n LEU 109 Cb 0.13 -0.14 0.23 0.00 -2.33 0.00 0.00 43.42 41.32 2wr5 n LEU 109 CO 0.35 0.18 0.72 0.00 -1.33 0.00 0.00 177.39 177.31 2wr5 h THR 110 N 0.71 1.27 -3.61 -5.08 1.03 -1.37 -3.44 112.91 102.41 2wr5 h THR 110 Ca 0.00 -1.30 -0.08 0.00 -0.01 0.00 0.00 66.41 65.02 2wr5 h THR 110 Cb 0.23 1.46 -0.15 0.00 -1.07 0.00 0.00 68.15 68.63 2wr5 h THR 110 CO 0.01 0.40 -0.29 -0.94 -0.01 0.00 0.00 175.52 174.69 2wr5 s SER 111 N -6.85 -0.00 0.05 0.00 1.04 -1.26 -3.80 113.70 102.88 2wr5 s SER 111 Ca -0.06 -0.47 -0.23 0.00 0.48 0.00 0.00 55.95 55.67 2wr5 s SER 111 Cb 0.14 0.36 0.05 0.00 0.10 0.00 0.00 66.02 66.67 2wr5 s SER 111 CO 0.78 -0.71 0.53 -0.69 0.98 0.00 0.00 173.24 174.12 2wr5 s VAL 112 N -3.48 0.03 0.02 5.02 1.01 -1.10 -4.87 120.40 117.03 2wr5 s VAL 112 Ca 0.02 -0.23 -0.26 0.00 0.00 0.00 0.00 61.98 61.51 2wr5 s VAL 112 Cb 0.03 -0.98 -0.16 0.00 0.00 0.00 0.00 36.38 35.26 2wr5 s VAL 112 CO -0.09 -0.12 1.26 0.71 0.00 0.00 0.00 175.10 176.86 2wr5 h THR 113 N 2.75 0.54 -0.86 3.92 1.35 -0.22 -3.40 112.91 116.99 2wr5 h THR 113 Ca -0.31 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.09 2wr5 h THR 113 Cb 1.21 0.74 0.00 0.00 -1.73 0.00 0.00 68.15 68.38 2wr5 h THR 113 CO 0.41 0.08 0.00 1.57 -0.25 0.00 0.00 175.52 177.33 2wr5 n HIS 114 N -5.21 0.00 -3.15 4.73 -0.00 -0.23 -4.68 115.22 106.67 2wr5 n HIS 114 Ca -0.10 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.66 2wr5 n HIS 114 Cb 0.29 -0.59 -0.01 0.00 -0.00 0.00 0.00 29.99 29.68 2wr5 n HIS 114 CO 0.00 0.00 0.00 0.12 -0.00 0.00 0.00 176.34 176.46 2wr5 s PHE 115 N 0.00 -1.59 -0.11 1.57 2.19 -0.65 -2.39 117.98 116.99 2wr5 s PHE 115 Ca 0.00 1.37 -0.00 0.00 0.33 0.00 0.00 56.93 58.63 2wr5 s PHE 115 Cb 0.00 0.44 0.02 0.00 -1.31 0.00 0.00 43.02 42.17 2wr5 s PHE 115 CO 0.00 -0.90 -0.09 -2.00 1.83 0.00 0.00 175.22 174.06 2wr5 s GLU 116 N 2.86 1.65 0.12 10.12 2.12 -0.32 -4.65 118.70 130.60 2wr5 s GLU 116 Ca 0.16 -0.31 -0.30 0.00 0.36 0.00 0.00 54.97 54.87 2wr5 s GLU 116 Cb -0.12 -1.64 -0.07 0.00 0.26 0.00 0.00 34.13 32.56 2wr5 s GLU 116 CO -0.22 -0.23 1.25 0.21 -0.54 0.00 0.00 175.26 175.72 2wr5 s LYS 117 N 1.56 4.42 -0.02 4.30 2.20 -1.26 -0.51 119.74 130.44 2wr5 s LYS 117 Ca 0.03 1.88 0.02 0.00 -0.36 0.00 0.00 55.97 57.54 2wr5 s LYS 117 Cb -0.13 -3.28 0.01 0.00 -1.51 0.00 0.00 37.83 32.92 2wr5 s LYS 117 CO -0.07 -0.24 -0.05 0.42 -0.36 0.00 0.00 175.35 175.04 2wr5 s ILE 118 N 0.65 0.52 -0.27 5.43 1.01 -0.68 -4.96 121.20 122.91 2wr5 s ILE 118 Ca 0.58 -0.19 -0.29 0.00 0.00 0.00 0.00 60.65 60.74 2wr5 s ILE 118 Cb -0.32 -0.49 -0.01 0.00 0.01 0.00 0.00 42.46 41.65 2wr5 s ILE 118 CO 0.32 0.18 1.43 -0.75 0.00 0.00 0.00 174.94 176.13 2wr5 s LYS 119 N 0.38 3.87 -0.01 2.79 2.20 -1.26 -0.59 119.74 127.12 2wr5 s LYS 119 Ca -0.05 1.42 0.04 0.00 -0.36 0.00 0.00 55.97 57.02 2wr5 s LYS 119 Cb -0.09 -3.94 -0.06 0.00 -1.51 0.00 0.00 37.83 32.23 2wr5 s LYS 119 CO -0.00 -1.19 0.08 0.44 -0.36 0.00 0.00 175.35 174.32 2wr5 n ILE 120 N 6.28 0.02 -3.30 5.43 -5.35 -0.33 -4.85 119.36 117.26 2wr5 n ILE 120 Ca 0.16 -0.10 -0.26 0.00 -0.27 0.00 0.00 62.75 62.29 2wr5 n ILE 120 Cb 0.46 0.29 -0.09 0.00 -1.74 0.00 0.00 39.64 38.57 2wr5 n ILE 120 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2wr5 n LEU 121 N -1.68 -0.22 -4.57 7.28 4.77 -0.63 -4.90 117.00 117.05 2wr5 n LEU 121 Ca -0.01 -4.50 -0.49 0.00 -0.03 0.00 0.00 56.01 50.97 2wr5 n LEU 121 Cb 0.15 0.59 -0.04 0.00 -2.33 0.00 0.00 43.42 41.79 2wr5 n LEU 121 CO 0.08 1.95 0.67 -2.65 -1.33 0.00 0.00 177.39 176.11 2wr5 n PRO 122 N 2.23 1.08 0.19 3.23 -0.02 -1.26 -4.47 135.00 135.98 2wr5 n PRO 122 Ca 0.26 0.38 -0.16 0.00 -2.02 0.00 0.00 63.50 61.97 2wr5 n PRO 122 Cb 0.50 -1.85 -0.08 0.00 -0.02 0.00 0.00 33.50 32.04 2wr5 n PRO 122 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wr5 h ARG 123 N 3.17 -0.76 0.00 -0.52 3.08 -1.95 -3.09 114.38 114.32 2wr5 h ARG 123 Ca -0.43 0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.68 2wr5 h ARG 123 Cb 1.35 0.17 0.00 0.00 0.08 0.00 0.00 29.97 31.57 2wr5 h ARG 123 CO 0.69 -0.50 0.01 -0.40 -1.07 0.00 0.00 179.97 178.70 2wr5 n ASP 124 N -5.50 0.00 -0.20 7.04 3.85 -1.26 -0.59 116.55 119.90 2wr5 n ASP 124 Ca -0.09 0.48 0.14 0.00 -0.71 0.00 0.00 54.79 54.61 2wr5 n ASP 124 Cb 0.40 -0.48 0.61 0.00 -1.35 0.00 0.00 41.12 40.30 2wr5 n ASP 124 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2wr5 n GLN 125 N -1.48 0.97 -1.78 0.11 6.02 -1.17 -4.12 117.38 115.93 2wr5 n GLN 125 Ca 0.00 -0.39 -0.42 0.00 -0.01 0.00 0.00 57.00 56.17 2wr5 n GLN 125 Cb 0.01 -1.49 0.00 0.00 1.02 0.00 0.00 30.24 29.78 2wr5 n GLN 125 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 2wr5 n TRP 126 N -0.67 3.51 -0.01 1.08 7.02 0.24 -4.78 117.44 123.84 2wr5 n TRP 126 Ca 0.17 -2.96 -0.01 0.00 -1.02 0.00 0.00 57.50 53.68 2wr5 n TRP 126 Cb 0.28 -2.52 0.28 0.00 -2.42 0.00 0.00 31.31 26.94 2wr5 n TRP 126 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 2wr5 h THR 127 N 4.00 1.20 -0.01 -0.99 1.03 -1.85 -2.68 112.91 113.60 2wr5 h THR 127 Ca 0.56 -0.81 0.00 0.00 -0.01 0.00 0.00 66.41 66.15 2wr5 h THR 127 Cb 0.64 0.94 0.00 0.00 -1.07 0.00 0.00 68.15 68.66 2wr5 h THR 127 CO 1.87 0.28 -0.16 0.00 -0.01 0.00 0.00 175.52 177.50 2wr5 n GLN 128 N -4.27 1.26 -4.55 0.00 6.02 -1.26 -4.94 117.38 109.64 2wr5 n GLN 128 Ca 0.02 -0.78 -0.29 0.00 -0.01 0.00 0.00 57.00 55.94 2wr5 n GLN 128 Cb 0.25 -1.48 -0.09 0.00 1.02 0.00 0.00 30.24 29.93 2wr5 n GLN 128 CO 0.00 0.00 0.00 -1.01 -1.01 0.00 0.00 177.06 175.04 2wr5 s HIS 129 N -2.28 2.36 0.02 1.08 3.76 -1.01 -4.57 115.29 114.65 2wr5 s HIS 129 Ca 0.30 -0.73 -0.01 0.00 -0.15 0.00 0.00 55.06 54.47 2wr5 s HIS 129 Cb 0.20 -1.78 -0.04 0.00 1.11 0.00 0.00 32.58 32.07 2wr5 s HIS 129 CO 0.44 0.33 0.15 0.99 -0.85 0.00 0.00 174.74 175.80 2wr5 s THR 130 N -2.73 5.14 0.00 1.30 2.01 -0.95 -4.93 115.64 115.48 2wr5 s THR 130 Ca 0.29 -0.36 0.00 0.00 0.31 0.00 0.00 61.69 61.94 2wr5 s THR 130 Cb 0.07 -3.43 0.00 0.00 0.01 0.00 0.00 72.50 69.15 2wr5 s THR 130 CO 0.15 0.26 0.00 0.41 -0.69 0.00 0.00 174.62 174.75 2wr5 n THR 131 N 0.76 0.00 -0.75 -0.82 -1.04 -1.26 -2.61 114.28 108.56 2wr5 n THR 131 Ca -0.10 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 61.85 2wr5 n THR 131 Cb 0.52 -0.72 -0.09 0.00 -1.82 0.00 0.00 70.33 68.23 2wr5 n THR 131 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 2wr5 n THR 132 N -1.90 2.46 -2.98 12.58 -2.24 -1.26 -4.35 114.28 116.59 2wr5 n THR 132 Ca 0.00 -1.01 -0.40 0.00 -2.27 0.00 0.00 64.05 60.37 2wr5 n THR 132 Cb 0.40 -1.75 -0.05 0.00 -2.10 0.00 0.00 70.33 66.83 2wr5 n THR 132 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2wr5 s GLY 133 N 2.02 2.76 0.27 3.38 0.00 -1.26 -5.05 107.32 109.43 2wr5 s GLY 133 Ca 0.35 0.26 -0.11 0.00 0.00 0.00 0.00 44.72 45.23 2wr5 s GLY 133 CO 0.00 1.16 0.48 -0.32 0.00 0.00 0.00 173.10 174.42 2wr5 s GLY 134 N 0.23 0.72 0.09 0.20 0.00 -1.26 -4.70 107.32 102.60 2wr5 s GLY 134 Ca 0.39 -1.01 0.02 0.00 0.00 0.00 0.00 44.72 44.12 2wr5 s GLY 134 CO 0.22 -0.70 -0.07 -0.45 0.00 0.00 0.00 173.10 172.10 2wr5 s SER 135 N -3.06 1.11 0.53 1.64 0.15 -0.04 -4.81 113.70 109.21 2wr5 s SER 135 Ca 0.24 -0.94 0.29 0.00 0.70 0.00 0.00 55.95 56.25 2wr5 s SER 135 Cb -0.01 0.08 1.44 0.00 -1.71 0.00 0.00 66.02 65.83 2wr5 s SER 135 CO 0.11 -0.42 2.04 -0.09 1.20 0.00 0.00 173.24 176.08 2wr5 h ARG 136 N 3.20 0.00 -0.03 5.44 9.65 -1.92 -2.52 114.38 128.19 2wr5 h ARG 136 Ca -0.35 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.49 2wr5 h ARG 136 Cb 1.17 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.75 2wr5 h ARG 136 CO 0.61 0.11 -0.13 0.00 2.80 0.00 0.00 179.97 183.36 2wr5 h ALA 137 N 1.89 1.73 -1.21 2.80 0.00 -1.89 -2.78 119.26 119.80 2wr5 h ALA 137 Ca -0.00 -0.14 -0.62 0.00 0.00 0.00 0.00 54.91 54.15 2wr5 h ALA 137 Cb 0.40 -0.04 -0.39 0.00 0.00 0.00 0.00 17.79 17.77 2wr5 h ALA 137 CO 0.01 0.21 -0.31 0.00 0.00 0.00 0.00 179.25 179.16 2wr5 s ALA 139 N -3.67 3.18 -0.12 0.00 0.00 -1.05 -2.49 121.76 117.62 2wr5 s ALA 139 Ca 0.51 0.94 0.04 0.00 0.00 0.00 0.00 51.96 53.45 2wr5 s ALA 139 Cb 0.42 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 20.12 2wr5 s ALA 139 CO -0.16 -0.46 0.14 1.33 0.00 0.00 0.00 175.76 176.61 2wr5 n VAL 140 N 0.20 0.00 -1.21 0.00 0.24 -1.26 -4.88 118.33 111.42 2wr5 n VAL 140 Ca 0.04 -0.27 -0.26 0.00 -2.04 0.00 0.00 64.34 61.80 2wr5 n VAL 140 Cb 0.46 0.75 0.04 0.00 -1.47 0.00 0.00 33.84 33.62 2wr5 n VAL 140 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wr5 n GLY 142 N 1.59 4.87 3.87 7.63 0.00 -1.26 -4.94 105.19 116.96 2wr5 n GLY 142 Ca 0.00 -1.74 -0.33 0.00 0.00 0.00 0.00 46.02 43.96 2wr5 n GLY 142 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wr5 s ASN 143 N -0.60 6.64 0.19 1.61 -0.87 -1.26 -5.04 114.94 115.61 2wr5 s ASN 143 Ca 0.48 0.87 -0.33 0.00 -1.57 0.00 0.00 52.86 52.31 2wr5 s ASN 143 Cb 0.37 -2.21 -0.14 0.00 -0.02 0.00 0.00 41.25 39.25 2wr5 s ASN 143 CO -0.07 0.01 1.47 -2.65 -2.57 0.00 0.00 177.10 173.29 2wr5 n PRO 144 N 0.18 1.97 0.00 -0.60 -0.02 -1.26 -4.34 135.00 130.92 2wr5 n PRO 144 Ca -0.02 0.71 0.00 0.00 -2.02 0.00 0.00 63.50 62.17 2wr5 n PRO 144 Cb 0.52 -2.41 0.00 0.00 -0.02 0.00 0.00 33.50 31.59 2wr5 n PRO 144 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2wr5 n SER 145 N 2.77 0.13 -3.62 2.55 2.88 -0.97 -4.67 113.62 112.69 2wr5 n SER 145 Ca 0.15 0.00 -0.04 0.00 -1.33 0.00 0.00 58.87 57.65 2wr5 n SER 145 Cb 0.29 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.73 2wr5 n SER 145 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2wr5 s PHE 146 N -0.13 -0.17 -0.07 0.66 5.36 -1.25 -0.87 117.98 121.52 2wr5 s PHE 146 Ca 0.00 0.02 -0.38 0.00 -0.96 0.00 0.00 56.93 55.61 2wr5 s PHE 146 Cb 0.00 0.56 -0.16 0.00 -0.34 0.00 0.00 43.02 43.08 2wr5 s PHE 146 CO 0.00 -0.47 1.54 1.19 -1.46 0.00 0.00 175.22 176.02 2wr5 n PHE 147 N -0.32 1.81 0.26 10.12 3.01 -1.26 -4.66 117.46 126.42 2wr5 n PHE 147 Ca -0.06 0.55 0.16 0.00 1.01 0.00 0.00 57.45 59.11 2wr5 n PHE 147 Cb 0.61 -2.41 0.57 0.00 -0.01 0.00 0.00 39.48 38.24 2wr5 n PHE 147 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2wr5 h ARG 148 N 5.94 0.00 -0.01 -1.08 3.08 -0.68 -2.71 114.38 118.92 2wr5 h ARG 148 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2wr5 h ARG 148 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 2wr5 h ARG 148 CO 0.87 0.02 -0.32 0.09 -1.07 0.00 0.00 179.97 179.55 2wr5 n ASN 149 N -3.11 1.68 -4.63 7.04 3.02 -0.41 -4.94 115.26 113.91 2wr5 n ASN 149 Ca 0.01 -1.31 -0.23 0.00 -0.03 0.00 0.00 54.58 53.02 2wr5 n ASN 149 Cb 0.36 0.28 -0.08 0.00 -0.61 0.00 0.00 39.78 39.73 2wr5 n ASN 149 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2wr5 s MET 150 N -2.42 2.17 -0.10 3.52 -1.94 -1.02 -1.16 119.30 118.35 2wr5 s MET 150 Ca 0.23 -1.56 0.02 0.00 -1.71 0.00 0.00 55.69 52.67 2wr5 s MET 150 Cb 0.19 -2.06 0.01 0.00 2.01 0.00 0.00 34.83 34.98 2wr5 s MET 150 CO 0.52 0.27 -0.16 0.08 -0.01 0.00 0.00 175.02 175.72 2wr5 s VAL 151 N -2.41 1.51 -0.78 -6.03 1.01 0.74 -4.79 120.40 109.65 2wr5 s VAL 151 Ca 0.33 -0.66 -0.17 0.00 0.00 0.00 0.00 61.98 61.48 2wr5 s VAL 151 Cb -0.04 -1.37 0.15 0.00 0.00 0.00 0.00 36.38 35.12 2wr5 s VAL 151 CO 0.19 0.44 0.86 0.86 0.00 0.00 0.00 175.10 177.46 2wr5 s TRP 152 N 0.89 3.28 -0.01 5.22 -0.11 -1.26 -1.27 118.94 125.68 2wr5 s TRP 152 Ca -0.09 -1.43 -0.30 0.00 1.22 0.00 0.00 56.10 55.50 2wr5 s TRP 152 Cb -0.15 -4.04 -0.06 0.00 -1.50 0.00 0.00 33.47 27.72 2wr5 s TRP 152 CO -0.00 -1.26 1.48 -0.51 -4.62 0.00 0.00 176.95 172.03 2wr5 s LEU 153 N 1.88 4.32 0.00 5.86 1.43 -1.23 -4.24 118.68 126.69 2wr5 s LEU 153 Ca 0.20 2.17 0.04 0.00 -1.03 0.00 0.00 54.13 55.51 2wr5 s LEU 153 Cb -0.13 -3.56 -0.01 0.00 0.03 0.00 0.00 46.19 42.52 2wr5 s LEU 153 CO -0.04 -0.78 0.14 0.35 0.23 0.00 0.00 176.35 176.25 2wr5 n THR 154 N 4.85 0.00 -2.31 5.49 -2.24 -1.07 -4.65 114.28 114.35 2wr5 n THR 154 Ca 0.14 -1.63 -0.33 0.00 -2.27 0.00 0.00 64.05 59.96 2wr5 n THR 154 Cb 0.43 0.68 -0.02 0.00 -2.10 0.00 0.00 70.33 69.32 2wr5 n THR 154 CO 0.00 0.00 0.00 -1.59 -0.57 0.00 0.00 175.07 172.91 2wr5 s LYS 155 N -3.00 3.64 -0.46 -0.78 -2.85 -0.38 -2.23 119.74 113.68 2wr5 s LYS 155 Ca 0.19 1.20 0.01 0.00 -1.00 0.00 0.00 55.97 56.37 2wr5 s LYS 155 Cb 0.01 -2.08 0.12 0.00 -2.06 0.00 0.00 37.83 33.82 2wr5 s LYS 155 CO 0.14 -0.55 0.22 0.21 0.10 0.00 0.00 175.35 175.47 2wr5 s LYS 156 N -3.76 1.97 2.27 1.78 2.20 -0.52 -4.39 119.74 119.29 2wr5 s LYS 156 Ca 0.64 -2.16 0.00 0.00 -0.36 0.00 0.00 55.97 54.08 2wr5 s LYS 156 Cb -0.15 -3.45 0.00 0.00 -1.51 0.00 0.00 37.83 32.72 2wr5 s LYS 156 CO 0.29 -1.06 0.00 0.41 -0.36 0.00 0.00 175.35 174.63 2wr5 n GLY 157 N 3.94 1.57 0.98 5.54 0.00 -1.26 -3.14 105.19 112.81 2wr5 n GLY 157 Ca 0.03 -0.41 0.03 0.00 0.00 0.00 0.00 46.02 45.68 2wr5 n GLY 157 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wr5 n SER 158 N 3.96 0.76 -4.12 1.61 3.41 -1.26 -5.09 113.62 112.89 2wr5 n SER 158 Ca 0.00 -2.21 -0.21 0.00 -0.26 0.00 0.00 58.87 56.19 2wr5 n SER 158 Cb 0.00 -0.29 -0.14 0.00 -0.26 0.00 0.00 64.21 63.52 2wr5 n SER 158 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 2wr5 s ASN 159 N -1.78 1.65 -0.35 4.04 0.02 -1.19 -4.92 114.94 112.42 2wr5 s ASN 159 Ca 0.22 -0.35 0.00 0.00 -1.02 0.00 0.00 52.86 51.71 2wr5 s ASN 159 Cb 0.24 -0.15 0.14 0.00 0.02 0.00 0.00 41.25 41.50 2wr5 s ASN 159 CO -0.09 0.11 0.21 -0.47 0.02 0.00 0.00 177.10 176.88 2wr5 s TYR 160 N -0.56 0.75 0.96 2.20 5.04 -1.26 -1.44 117.35 123.04 2wr5 s TYR 160 Ca 0.04 -1.64 -0.16 0.00 -2.44 0.00 0.00 57.07 52.87 2wr5 s TYR 160 Cb -0.06 -0.94 0.24 0.00 0.35 0.00 0.00 41.96 41.55 2wr5 s TYR 160 CO 0.00 -0.83 0.84 -2.30 -1.34 0.00 0.00 175.55 171.92 2wr5 n PRO 161 N 4.03 -2.74 -2.15 4.97 -0.02 -1.26 -4.87 135.00 132.97 2wr5 n PRO 161 Ca 0.12 -1.34 -0.43 0.00 -2.02 0.00 0.00 63.50 59.82 2wr5 n PRO 161 Cb 0.37 -1.28 -0.02 0.00 -0.02 0.00 0.00 33.50 32.55 2wr5 n PRO 161 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2wr5 s VAL 162 N -2.51 3.67 -0.05 -1.45 1.01 -1.26 -4.73 120.40 115.09 2wr5 s VAL 162 Ca 0.55 0.70 -0.30 0.00 0.00 0.00 0.00 61.98 62.93 2wr5 s VAL 162 Cb -0.06 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 2wr5 s VAL 162 CO 0.42 -0.51 1.10 0.00 0.00 0.00 0.00 175.10 176.11 2wr5 s ALA 163 N 6.06 3.39 -0.28 5.51 0.00 -0.46 -4.90 121.76 131.08 2wr5 s ALA 163 Ca 0.72 0.55 0.01 0.00 0.00 0.00 0.00 51.96 53.24 2wr5 s ALA 163 Cb -0.20 -3.45 0.16 0.00 0.00 0.00 0.00 23.12 19.63 2wr5 s ALA 163 CO 0.32 -0.58 0.42 0.21 0.00 0.00 0.00 175.76 176.14 2wr5 s LYS 164 N 1.80 0.42 0.14 0.00 2.20 -1.26 -1.04 119.74 122.00 2wr5 s LYS 164 Ca 0.53 0.26 0.04 0.00 -0.36 0.00 0.00 55.97 56.44 2wr5 s LYS 164 Cb -0.22 -0.26 -0.04 0.00 -1.51 0.00 0.00 37.83 35.79 2wr5 s LYS 164 CO 0.22 -0.96 -0.08 1.03 -0.36 0.00 0.00 175.35 175.20 2wr5 s ARG 165 N 2.58 1.04 0.09 4.03 0.52 -1.07 -5.01 118.95 121.13 2wr5 s ARG 165 Ca 0.11 -1.45 -0.05 0.00 -0.52 0.00 0.00 55.73 53.81 2wr5 s ARG 165 Cb -0.13 -0.53 -0.02 0.00 0.52 0.00 0.00 34.95 34.79 2wr5 s ARG 165 CO -0.27 0.04 0.11 -1.54 0.02 0.00 0.00 175.30 173.66 2wr5 s SER 166 N -3.15 0.25 -0.05 0.23 1.04 -1.26 -0.78 113.70 109.98 2wr5 s SER 166 Ca 0.17 -0.84 -0.02 0.00 0.48 0.00 0.00 55.95 55.74 2wr5 s SER 166 Cb 0.03 0.30 0.04 0.00 0.10 0.00 0.00 66.02 66.49 2wr5 s SER 166 CO 0.00 -0.70 0.10 -0.47 0.98 0.00 0.00 173.24 173.15 2wr5 s TYR 167 N -3.91 -0.08 -0.16 5.02 5.04 -0.64 -4.99 117.35 117.63 2wr5 s TYR 167 Ca 0.09 0.37 -0.18 0.00 -2.44 0.00 0.00 57.07 54.90 2wr5 s TYR 167 Cb 0.06 -0.21 -0.04 0.00 0.35 0.00 0.00 41.96 42.12 2wr5 s TYR 167 CO -0.08 -0.16 0.50 1.21 -1.34 0.00 0.00 175.55 175.68 2wr5 s ASN 168 N 1.44 6.63 -0.95 4.32 3.84 -1.26 -1.53 114.94 127.43 2wr5 s ASN 168 Ca -0.06 0.76 -0.24 0.00 0.21 0.00 0.00 52.86 53.53 2wr5 s ASN 168 Cb -0.12 -2.29 0.04 0.00 -0.55 0.00 0.00 41.25 38.32 2wr5 s ASN 168 CO -0.05 -0.09 1.46 0.21 -2.79 0.00 0.00 177.10 175.85 2wr5 s ASN 169 N 0.88 6.31 -0.09 -4.21 2.47 -0.50 -4.78 114.94 115.02 2wr5 s ASN 169 Ca 0.25 -1.17 0.19 0.00 0.42 0.00 0.00 52.86 52.55 2wr5 s ASN 169 Cb -0.15 -2.57 0.68 0.00 -1.45 0.00 0.00 41.25 37.76 2wr5 s ASN 169 CO 0.10 -1.68 1.59 0.35 -3.72 0.00 0.00 177.10 173.74 2wr5 n THR 170 N 6.87 1.69 1.19 -5.21 -2.24 -1.26 -1.16 114.28 114.17 2wr5 n THR 170 Ca 0.28 -1.19 0.14 0.00 -2.27 0.00 0.00 64.05 61.01 2wr5 n THR 170 Cb 0.50 0.19 0.63 0.00 -2.10 0.00 0.00 70.33 69.56 2wr5 n THR 170 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 2wr5 n SER 171 N 1.11 0.10 0.00 3.42 3.41 -1.26 -4.89 113.62 115.51 2wr5 n SER 171 Ca 0.25 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 2wr5 n SER 171 Cb 0.83 -0.31 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 2wr5 n SER 171 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wr5 n GLY 172 N 1.40 0.73 3.31 5.00 0.00 -1.26 -4.99 105.19 109.37 2wr5 n GLY 172 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 2wr5 n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr5 s GLU 173 N -0.26 1.22 0.34 1.61 2.02 -1.26 -5.02 118.70 117.35 2wr5 s GLU 173 Ca 0.00 -1.44 -0.29 0.00 0.02 0.00 0.00 54.97 53.26 2wr5 s GLU 173 Cb 0.00 -1.09 -0.11 0.00 0.10 0.00 0.00 34.13 33.03 2wr5 s GLU 173 CO 0.00 0.20 1.52 -1.14 0.02 0.00 0.00 175.26 175.86 2wr5 s GLN 174 N -3.16 4.13 -0.11 1.61 0.74 -1.25 -4.52 119.66 117.09 2wr5 s GLN 174 Ca 0.17 2.56 0.02 0.00 0.05 0.00 0.00 55.36 58.15 2wr5 s GLN 174 Cb -0.03 -3.00 0.01 0.00 1.10 0.00 0.00 33.01 31.10 2wr5 s GLN 174 CO 0.05 -0.56 -0.16 1.41 -0.55 0.00 0.00 175.29 175.48 2wr5 s MET 175 N -1.43 2.34 0.11 1.67 -2.45 -0.91 -0.83 119.30 117.80 2wr5 s MET 175 Ca 0.57 -0.61 -0.30 0.00 -1.25 0.00 0.00 55.69 54.10 2wr5 s MET 175 Cb -0.47 -1.97 -0.06 0.00 1.25 0.00 0.00 34.83 33.59 2wr5 s MET 175 CO 0.57 -0.05 0.99 -1.17 1.05 0.00 0.00 175.02 176.41 2wr5 s LEU 176 N 0.96 4.48 -0.02 4.11 2.96 -0.18 -0.69 118.68 130.29 2wr5 s LEU 176 Ca -0.07 1.84 0.01 0.00 -0.22 0.00 0.00 54.13 55.69 2wr5 s LEU 176 Cb -0.15 -3.59 0.01 0.00 0.50 0.00 0.00 46.19 42.96 2wr5 s LEU 176 CO -0.02 -0.12 -0.02 -0.63 -1.32 0.00 0.00 176.35 174.24 2wr5 s ILE 177 N 0.08 0.28 0.04 6.68 1.01 -0.49 -0.72 121.20 128.09 2wr5 s ILE 177 Ca 0.48 -0.05 0.09 0.00 0.00 0.00 0.00 60.65 61.17 2wr5 s ILE 177 Cb -0.24 -0.31 -0.03 0.00 0.01 0.00 0.00 42.46 41.89 2wr5 s ILE 177 CO 0.30 0.13 -0.26 -0.63 0.00 0.00 0.00 174.94 174.48 2wr5 s ILE 178 N 0.53 2.12 0.21 2.92 1.01 -1.26 -1.22 121.20 125.51 2wr5 s ILE 178 Ca -0.06 -1.36 -0.07 0.00 0.00 0.00 0.00 60.65 59.16 2wr5 s ILE 178 Cb -0.09 -1.81 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 2wr5 s ILE 178 CO -0.01 0.38 0.28 -1.66 0.00 0.00 0.00 174.94 173.93 2wr5 s TRP 179 N -0.79 0.70 0.05 3.97 -2.14 -0.48 -3.87 118.94 116.38 2wr5 s TRP 179 Ca 0.11 -1.01 -0.06 0.00 2.66 0.00 0.00 56.10 57.80 2wr5 s TRP 179 Cb -0.10 -0.18 -0.01 0.00 -3.10 0.00 0.00 33.47 30.08 2wr5 s TRP 179 CO 0.02 -0.78 0.12 0.20 -2.66 0.00 0.00 176.95 173.85 2wr5 s GLY 180 N -3.06 0.17 0.02 3.67 0.00 -0.40 0.13 107.32 107.85 2wr5 s GLY 180 Ca 0.28 -0.60 0.06 0.00 0.00 0.00 0.00 44.72 44.46 2wr5 s GLY 180 CO 0.08 -0.76 -0.17 -1.50 0.00 0.00 0.00 173.10 170.76 2wr5 s ILE 181 N -3.08 2.89 0.08 0.90 2.07 -0.73 0.54 121.20 123.88 2wr5 s ILE 181 Ca -0.01 -1.08 -0.17 0.00 -1.41 0.00 0.00 60.65 57.98 2wr5 s ILE 181 Cb 0.02 -2.21 -0.07 0.00 0.13 0.00 0.00 42.46 40.33 2wr5 s ILE 181 CO -0.07 0.38 0.53 -2.28 -1.91 0.00 0.00 174.94 171.60 2wr5 s HIS 182 N -0.90 3.75 -0.32 3.50 5.65 0.94 -1.34 115.29 126.57 2wr5 s HIS 182 Ca 0.14 1.17 0.03 0.00 0.25 0.00 0.00 55.06 56.66 2wr5 s HIS 182 Cb -0.11 -2.43 0.09 0.00 -1.18 0.00 0.00 32.58 28.96 2wr5 s HIS 182 CO 0.05 0.56 0.01 0.71 -0.65 0.00 0.00 174.74 175.42 2wr5 s TYR 183 N -1.19 3.49 0.80 3.88 2.02 0.13 -4.72 117.35 121.76 2wr5 s TYR 183 Ca 0.30 -2.74 -0.10 0.00 -0.37 0.00 0.00 57.07 54.16 2wr5 s TYR 183 Cb -0.18 -2.59 0.08 0.00 -0.40 0.00 0.00 41.96 38.87 2wr5 s TYR 183 CO 0.18 -0.92 1.10 -2.14 -1.57 0.00 0.00 175.55 172.20 2wr5 s PRO 184 N 1.00 1.99 0.41 -1.71 0.02 -1.26 -0.84 135.00 134.60 2wr5 s PRO 184 Ca 0.06 1.23 0.22 0.00 0.02 0.00 0.00 61.00 62.53 2wr5 s PRO 184 Cb -0.19 -1.86 0.35 0.00 0.02 0.00 0.00 34.50 32.82 2wr5 s PRO 184 CO -0.08 -1.85 1.60 -0.97 -0.33 0.00 0.00 177.00 175.36 2wr5 h ASN 185 N -1.29 0.00 -4.76 2.53 -1.24 -1.82 -3.29 115.58 105.72 2wr5 h ASN 185 Ca -0.44 0.00 0.15 0.00 0.71 0.00 0.00 56.30 56.73 2wr5 h ASN 185 Cb 1.24 0.00 -0.14 0.00 0.73 0.00 0.00 38.32 40.15 2wr5 h ASN 185 CO 0.49 0.14 0.56 1.51 -1.29 0.00 0.00 177.43 178.84 2wr5 s ASP 186 N -6.24 -0.28 0.47 1.15 3.84 -1.26 -3.63 116.67 110.71 2wr5 s ASP 186 Ca 0.06 -0.08 0.24 0.00 -0.00 0.00 0.00 52.55 52.77 2wr5 s ASP 186 Cb 0.06 0.36 1.27 0.00 -1.38 0.00 0.00 42.92 43.22 2wr5 s ASP 186 CO 0.68 -0.60 1.84 0.44 -0.00 0.00 0.00 175.17 177.54 2wr5 h ASP 187 N 2.00 0.24 -0.14 2.11 3.32 -1.95 -1.66 116.42 120.34 2wr5 h ASP 187 Ca -0.21 0.03 -0.18 0.00 0.02 0.00 0.00 57.03 56.69 2wr5 h ASP 187 Cb 1.23 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.78 2wr5 h ASP 187 CO 0.29 0.08 -0.62 0.71 -1.72 0.00 0.00 179.24 177.97 2wr5 h THR 188 N 0.23 1.32 -0.92 0.35 1.35 -2.01 -3.11 112.91 110.11 2wr5 h THR 188 Ca 0.49 -1.87 0.07 0.00 -0.55 0.00 0.00 66.41 64.55 2wr5 h THR 188 Cb 1.53 2.04 -0.06 0.00 -1.73 0.00 0.00 68.15 69.94 2wr5 h THR 188 CO -0.13 0.58 0.60 -0.08 -0.25 0.00 0.00 175.52 176.24 2wr5 h GLU 189 N 0.35 1.00 0.09 4.72 4.81 -1.72 -2.67 114.58 121.17 2wr5 h GLU 189 Ca -0.04 -0.06 0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2wr5 h GLU 189 Cb 1.25 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 2wr5 h GLU 189 CO 0.13 0.66 -0.18 0.37 -0.73 0.00 0.00 179.01 179.27 2wr5 h GLN 190 N 1.03 -0.33 -0.64 1.92 5.75 -1.47 -2.85 115.11 118.53 2wr5 h GLN 190 Ca 0.40 0.02 -0.07 0.00 -0.15 0.00 0.00 58.65 58.85 2wr5 h GLN 190 Cb 0.23 0.07 -0.03 0.00 1.07 0.00 0.00 27.48 28.83 2wr5 h GLN 190 CO -0.16 -0.22 0.11 0.00 -2.65 0.00 0.00 178.83 175.92 2wr5 h ARG 191 N -0.34 1.05 0.00 1.69 3.08 -1.43 0.32 114.38 118.74 2wr5 h ARG 191 Ca 0.03 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.80 2wr5 h ARG 191 Cb 0.36 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 30.29 2wr5 h ARG 191 CO -0.11 0.97 0.00 0.00 -1.07 0.00 0.00 179.97 179.76 2wr5 h THR 192 N 0.96 0.00 0.00 2.04 1.03 -1.45 0.88 112.91 116.37 2wr5 h THR 192 Ca 0.19 -0.15 -0.34 0.00 -0.01 0.00 0.00 66.41 66.10 2wr5 h THR 192 Cb 0.42 0.90 -0.06 0.00 -1.07 0.00 0.00 68.15 68.34 2wr5 h THR 192 CO 0.01 0.00 -2.29 0.18 -0.01 0.00 0.00 175.52 173.41 2wr5 n LEU 193 N -2.58 1.84 0.00 0.00 4.32 -0.59 -4.82 117.00 115.17 2wr5 n LEU 193 Ca -0.01 -0.08 0.00 0.00 -0.02 0.00 0.00 56.01 55.91 2wr5 n LEU 193 Cb 0.14 -0.33 0.00 0.00 -1.62 0.00 0.00 43.42 41.61 2wr5 n LEU 193 CO 0.18 0.72 0.06 -1.22 -1.22 0.00 0.00 177.39 175.91 2wr5 n TYR 194 N -2.99 0.00 0.00 -1.77 0.53 0.10 -1.25 117.16 111.79 2wr5 n TYR 194 Ca -0.37 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.51 2wr5 n TYR 194 Cb 1.00 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 39.31 2wr5 n TYR 194 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 2wr5 n GLN 195 N -0.12 0.00 -1.53 -0.72 1.13 0.29 -4.53 117.38 111.90 2wr5 n GLN 195 Ca 0.00 0.00 -0.30 0.00 -1.94 0.00 0.00 57.00 54.76 2wr5 n GLN 195 Cb 0.11 0.00 0.08 0.00 0.11 0.00 0.00 30.24 30.54 2wr5 n GLN 195 CO 0.00 0.00 0.00 -0.80 -1.44 0.00 0.00 177.06 174.82 2wr5 s ASN 196 N 0.00 4.67 0.00 1.08 0.02 -1.26 -4.76 114.94 114.69 2wr5 s ASN 196 Ca 0.00 1.41 0.00 0.00 -1.02 0.00 0.00 52.86 53.25 2wr5 s ASN 196 Cb 0.00 -2.18 0.00 0.00 0.02 0.00 0.00 41.25 39.09 2wr5 s ASN 196 CO 0.00 -1.87 0.00 0.52 0.02 0.00 0.00 177.10 175.77 2wr5 n VAL 197 N -3.38 0.00 -1.04 1.60 0.31 -1.26 -4.67 118.33 109.89 2wr5 n VAL 197 Ca 0.07 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.20 2wr5 n VAL 197 Cb 0.55 -0.61 0.02 0.00 -0.91 0.00 0.00 33.84 32.90 2wr5 n VAL 197 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wr5 n GLY 198 N 2.90 4.27 3.80 2.92 0.00 -1.26 -5.00 105.19 112.81 2wr5 n GLY 198 Ca 0.00 -1.33 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 2wr5 n GLY 198 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wr5 s THR 199 N -2.44 3.72 0.18 2.61 -4.23 -1.26 -5.06 115.64 109.15 2wr5 s THR 199 Ca 0.39 0.57 -0.03 0.00 -1.18 0.00 0.00 61.69 61.44 2wr5 s THR 199 Cb 0.29 -3.19 -0.03 0.00 1.34 0.00 0.00 72.50 70.90 2wr5 s THR 199 CO -0.05 -0.72 0.15 -0.72 -0.54 0.00 0.00 174.62 172.74 2wr5 s TYR 200 N -2.96 0.91 -0.06 3.99 -0.85 -1.26 -4.43 117.35 112.68 2wr5 s TYR 200 Ca 0.60 -1.21 -0.00 0.00 -0.52 0.00 0.00 57.07 55.93 2wr5 s TYR 200 Cb -0.15 -0.42 0.02 0.00 0.38 0.00 0.00 41.96 41.79 2wr5 s TYR 200 CO 0.55 -0.63 -0.03 0.08 -1.52 0.00 0.00 175.55 174.00 2wr5 s VAL 201 N -4.09 0.51 -0.09 -3.49 1.01 -0.03 -2.57 120.40 111.65 2wr5 s VAL 201 Ca 0.30 -0.03 0.04 0.00 0.00 0.00 0.00 61.98 62.29 2wr5 s VAL 201 Cb 0.06 -0.60 0.00 0.00 0.00 0.00 0.00 36.38 35.85 2wr5 s VAL 201 CO 0.07 0.26 -0.21 -0.55 0.00 0.00 0.00 175.10 174.66 2wr5 s SER 202 N 1.47 2.78 -0.05 3.32 0.15 0.19 -1.03 113.70 120.53 2wr5 s SER 202 Ca -0.02 -0.50 0.01 0.00 0.70 0.00 0.00 55.95 56.14 2wr5 s SER 202 Cb -0.13 -1.27 0.02 0.00 -1.71 0.00 0.00 66.02 62.92 2wr5 s SER 202 CO -0.03 0.13 -0.06 -0.69 1.20 0.00 0.00 173.24 173.78 2wr5 s VAL 203 N 0.44 0.66 0.01 4.45 1.01 -0.71 -0.82 120.40 125.45 2wr5 s VAL 203 Ca -0.17 -0.19 0.01 0.00 0.00 0.00 0.00 61.98 61.62 2wr5 s VAL 203 Cb -0.17 -0.66 -0.01 0.00 0.00 0.00 0.00 36.38 35.54 2wr5 s VAL 203 CO 0.07 0.25 -0.04 -0.83 0.00 0.00 0.00 175.10 174.55 2wr5 s GLY 204 N 0.86 0.24 0.00 4.51 0.00 -0.40 -1.44 107.32 111.09 2wr5 s GLY 204 Ca -0.12 -0.37 0.00 0.00 0.00 0.00 0.00 44.72 44.23 2wr5 s GLY 204 CO 0.01 -0.39 0.00 -1.30 0.00 0.00 0.00 173.10 171.42 2wr5 n THR 205 N 2.32 0.00 0.07 0.90 -2.24 -0.14 -0.71 114.28 114.48 2wr5 n THR 205 Ca -0.18 0.00 -0.04 0.00 -2.27 0.00 0.00 64.05 61.57 2wr5 n THR 205 Cb 0.57 0.00 0.18 0.00 -2.10 0.00 0.00 70.33 68.98 2wr5 n THR 205 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2wr5 h SER 206 N 0.00 0.32 0.00 3.42 0.02 -1.99 -3.35 113.55 111.97 2wr5 h SER 206 Ca 0.00 -0.15 -0.02 0.00 -0.84 0.00 0.00 61.79 60.78 2wr5 h SER 206 Cb 0.00 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.45 2wr5 h SER 206 CO 0.00 0.73 -1.10 0.35 -1.14 0.00 0.00 176.83 175.68 2wr5 n THR 207 N -3.99 0.08 -2.72 -2.27 -2.24 -1.26 -5.01 114.28 96.87 2wr5 n THR 207 Ca -0.02 -0.06 -0.38 0.00 -2.27 0.00 0.00 64.05 61.32 2wr5 n THR 207 Cb 0.52 -0.62 -0.06 0.00 -2.10 0.00 0.00 70.33 68.07 2wr5 n THR 207 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2wr5 s LEU 208 N -3.88 4.46 -0.29 3.22 2.96 -1.26 -5.04 118.68 118.86 2wr5 s LEU 208 Ca -0.01 1.93 0.03 0.00 -0.22 0.00 0.00 54.13 55.87 2wr5 s LEU 208 Cb 0.01 -3.84 0.18 0.00 0.50 0.00 0.00 46.19 43.04 2wr5 s LEU 208 CO 0.06 -0.02 0.53 0.21 -1.32 0.00 0.00 176.35 175.82 2wr5 s ASN 209 N -1.38 -0.97 0.00 3.68 2.47 -1.26 -0.97 114.94 116.51 2wr5 s ASN 209 Ca 0.47 0.20 -0.02 0.00 0.42 0.00 0.00 52.86 53.93 2wr5 s ASN 209 Cb -0.23 1.78 -0.01 0.00 -1.45 0.00 0.00 41.25 41.34 2wr5 s ASN 209 CO 0.29 -0.30 0.03 -0.75 -3.72 0.00 0.00 177.10 172.64 2wr5 s LYS 210 N 2.75 0.21 -0.06 0.43 2.20 -0.52 -5.04 119.74 119.71 2wr5 s LYS 210 Ca 0.12 -0.26 -0.02 0.00 -0.36 0.00 0.00 55.97 55.45 2wr5 s LYS 210 Cb -0.12 0.08 0.03 0.00 -1.51 0.00 0.00 37.83 36.31 2wr5 s LYS 210 CO -0.25 -0.04 0.06 0.50 -0.36 0.00 0.00 175.35 175.26 2wr5 s ARG 211 N -0.73 -0.03 -0.05 4.03 3.52 -1.26 -1.73 118.95 122.71 2wr5 s ARG 211 Ca -0.08 0.30 0.05 0.00 -0.13 0.00 0.00 55.73 55.87 2wr5 s ARG 211 Cb -0.05 -0.71 -0.02 0.00 -1.56 0.00 0.00 34.95 32.61 2wr5 s ARG 211 CO -0.00 -0.37 -0.20 -1.12 -0.81 0.00 0.00 175.30 172.80 2wr5 s SER 212 N 2.16 3.56 -0.02 -2.12 0.01 -0.20 -4.95 113.70 112.14 2wr5 s SER 212 Ca 0.05 -0.34 0.08 0.00 1.31 0.00 0.00 55.95 57.04 2wr5 s SER 212 Cb -0.13 -0.73 -0.02 0.00 0.21 0.00 0.00 66.02 65.35 2wr5 s SER 212 CO -0.04 0.31 -0.25 0.27 0.41 0.00 0.00 173.24 173.94 2wr5 s ILE 213 N -0.53 1.97 0.38 1.44 -0.00 -1.26 -0.85 121.20 122.34 2wr5 s ILE 213 Ca 0.07 -1.06 -0.28 0.00 -0.00 0.00 0.00 60.65 59.38 2wr5 s ILE 213 Cb -0.11 -1.63 -0.11 0.00 -0.00 0.00 0.00 42.46 40.61 2wr5 s ILE 213 CO 0.01 0.56 1.43 -2.65 -0.00 0.00 0.00 174.94 174.28 2wr5 n PRO 214 N 2.48 2.48 -3.50 0.37 -0.02 -1.26 -4.99 135.00 130.55 2wr5 n PRO 214 Ca -0.16 0.87 -0.35 0.00 -2.02 0.00 0.00 63.50 61.84 2wr5 n PRO 214 Cb 0.51 -2.58 -0.06 0.00 -0.02 0.00 0.00 33.50 31.36 2wr5 n PRO 214 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2wr5 n GLU 215 N 0.38 2.88 -1.77 -0.52 1.02 -1.26 -5.06 120.64 116.31 2wr5 n GLU 215 Ca 0.03 -4.54 -0.42 0.00 -0.02 0.00 0.00 57.16 52.21 2wr5 n GLU 215 Cb 0.38 -2.39 -0.03 0.00 -0.02 0.00 0.00 31.44 29.38 2wr5 n GLU 215 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2wr5 s ILE 216 N -1.85 2.59 -0.23 -3.67 1.09 -1.26 -4.79 121.20 113.07 2wr5 s ILE 216 Ca 0.31 0.16 -0.28 0.00 -1.10 0.00 0.00 60.65 59.73 2wr5 s ILE 216 Cb -0.00 -3.10 0.15 0.00 -1.06 0.00 0.00 42.46 38.44 2wr5 s ILE 216 CO -0.07 0.00 1.14 0.00 -0.10 0.00 0.00 174.94 175.91 2wr5 s ALA 217 N 2.49 -2.02 0.03 9.38 0.00 -1.24 -4.99 121.76 125.42 2wr5 s ALA 217 Ca 0.78 1.72 -0.30 0.00 0.00 0.00 0.00 51.96 54.16 2wr5 s ALA 217 Cb -0.45 -1.17 -0.07 0.00 0.00 0.00 0.00 23.12 21.43 2wr5 s ALA 217 CO 0.35 -0.25 1.52 0.99 0.00 0.00 0.00 175.76 178.37 2wr5 s THR 218 N -0.66 3.38 0.09 0.00 2.01 -1.24 -4.62 115.64 114.60 2wr5 s THR 218 Ca 0.03 0.80 0.05 0.00 0.31 0.00 0.00 61.69 62.88 2wr5 s THR 218 Cb -0.02 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.94 2wr5 s THR 218 CO -0.04 -0.00 -0.13 -0.13 -0.69 0.00 0.00 174.62 173.63 2wr5 s ARG 219 N 2.49 0.84 0.51 4.92 0.52 -1.26 -5.13 118.95 121.83 2wr5 s ARG 219 Ca 0.69 -1.05 -0.23 0.00 -0.52 0.00 0.00 55.73 54.62 2wr5 s ARG 219 Cb -0.35 -0.72 -0.06 0.00 0.52 0.00 0.00 34.95 34.33 2wr5 s ARG 219 CO 0.29 0.14 1.40 -2.30 0.02 0.00 0.00 175.30 174.86 2wr5 n PRO 220 N 0.96 1.94 -2.67 3.54 -0.02 -1.26 -4.70 135.00 132.79 2wr5 n PRO 220 Ca -0.19 0.70 -0.43 0.00 -2.02 0.00 0.00 63.50 61.57 2wr5 n PRO 220 Cb 0.56 -2.61 -0.02 0.00 -0.02 0.00 0.00 33.50 31.40 2wr5 n PRO 220 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2wr5 s LYS 221 N -2.72 4.40 -0.17 -0.52 1.02 -1.26 -4.67 119.74 115.81 2wr5 s LYS 221 Ca 0.67 1.41 -0.03 0.00 0.02 0.00 0.00 55.97 58.04 2wr5 s LYS 221 Cb -0.43 -3.56 -0.02 0.00 -0.52 0.00 0.00 37.83 33.31 2wr5 s LYS 221 CO 0.52 -0.36 -0.05 0.08 -0.92 0.00 0.00 175.35 174.62 2wr5 s VAL 222 N 2.16 3.58 -1.49 3.17 1.01 -0.10 -4.50 120.40 124.25 2wr5 s VAL 222 Ca 0.48 -0.45 -0.09 0.00 0.00 0.00 0.00 61.98 61.92 2wr5 s VAL 222 Cb -0.18 -2.58 0.06 0.00 0.00 0.00 0.00 36.38 33.68 2wr5 s VAL 222 CO 0.17 0.47 0.82 0.59 0.00 0.00 0.00 175.10 177.16 2wr5 n ASN 223 N 3.94 -3.20 -0.71 3.32 3.02 -1.26 -1.17 115.26 119.19 2wr5 n ASN 223 Ca -0.18 -0.85 -0.09 0.00 -0.03 0.00 0.00 54.58 53.43 2wr5 n ASN 223 Cb 0.52 -3.69 -0.04 0.00 -0.61 0.00 0.00 39.78 35.96 2wr5 n ASN 223 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wr5 n GLY 224 N -1.67 0.98 3.20 7.41 0.00 -1.26 -4.54 105.19 109.31 2wr5 n GLY 224 Ca -0.08 -0.13 -0.32 0.00 0.00 0.00 0.00 46.02 45.48 2wr5 n GLY 224 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wr5 s GLN 225 N -2.60 3.05 0.15 1.61 -1.52 -0.32 -4.99 119.66 115.04 2wr5 s GLN 225 Ca 0.00 -0.86 0.17 0.00 -1.95 0.00 0.00 55.36 52.72 2wr5 s GLN 225 Cb 0.00 -2.38 -0.04 0.00 -0.22 0.00 0.00 33.01 30.36 2wr5 s GLN 225 CO 0.00 0.09 1.05 0.78 -0.25 0.00 0.00 175.29 176.95 2wr5 h GLY 226 N 7.01 0.00 -0.65 3.09 0.00 -1.83 -0.23 103.07 110.46 2wr5 h GLY 226 Ca -0.26 0.00 -0.47 0.00 0.00 0.00 0.00 47.33 46.61 2wr5 h GLY 226 CO 0.51 0.00 0.40 -0.32 0.00 0.00 0.00 176.54 177.14 2wr5 s GLY 227 N -4.62 1.61 0.03 4.60 0.00 -1.26 -4.43 107.32 103.25 2wr5 s GLY 227 Ca -0.00 -0.70 0.00 0.00 0.00 0.00 0.00 44.72 44.02 2wr5 s GLY 227 CO 0.79 -0.17 -0.03 0.50 0.00 0.00 0.00 173.10 174.18 2wr5 s ARG 228 N -5.58 0.40 -0.13 2.90 1.81 -0.02 -4.63 118.95 113.69 2wr5 s ARG 228 Ca 0.63 -0.76 0.02 0.00 -1.72 0.00 0.00 55.73 53.90 2wr5 s ARG 228 Cb -0.11 0.09 0.01 0.00 -0.45 0.00 0.00 34.95 34.49 2wr5 s ARG 228 CO 0.50 -0.05 -0.21 -1.64 -0.68 0.00 0.00 175.30 173.22 2wr5 s MET 229 N -2.02 2.89 -0.39 3.54 -1.94 -0.25 0.17 119.30 121.31 2wr5 s MET 229 Ca -0.10 -0.81 -0.10 0.00 -1.71 0.00 0.00 55.69 52.97 2wr5 s MET 229 Cb -0.06 -2.34 0.05 0.00 2.01 0.00 0.00 34.83 34.49 2wr5 s MET 229 CO -0.03 -0.02 0.21 -2.00 -0.01 0.00 0.00 175.02 173.18 2wr5 s GLU 230 N 0.83 2.72 0.15 2.03 2.12 -0.45 -2.26 118.70 123.83 2wr5 s GLU 230 Ca -0.07 -1.24 -0.15 0.00 0.36 0.00 0.00 54.97 53.88 2wr5 s GLU 230 Cb -0.15 -3.72 -0.07 0.00 0.26 0.00 0.00 34.13 30.45 2wr5 s GLU 230 CO -0.02 -0.79 0.56 -0.06 -0.54 0.00 0.00 175.26 174.41 2wr5 s PHE 231 N 1.49 3.61 0.18 5.30 0.40 -1.03 -1.77 117.98 126.16 2wr5 s PHE 231 Ca 0.02 1.08 0.04 0.00 -0.60 0.00 0.00 56.93 57.46 2wr5 s PHE 231 Cb -0.21 -2.38 -0.05 0.00 0.51 0.00 0.00 43.02 40.90 2wr5 s PHE 231 CO 0.04 0.43 -0.06 -1.12 0.70 0.00 0.00 175.22 175.21 2wr5 s SER 232 N -1.70 1.80 0.05 1.36 0.01 0.12 -0.64 113.70 114.70 2wr5 s SER 232 Ca 0.38 -1.09 -0.07 0.00 1.31 0.00 0.00 55.95 56.47 2wr5 s SER 232 Cb -0.15 -0.00 -0.00 0.00 0.21 0.00 0.00 66.02 66.07 2wr5 s SER 232 CO 0.19 -0.40 0.15 -1.66 0.41 0.00 0.00 173.24 171.93 2wr5 s TRP 233 N -3.36 0.14 0.07 2.43 1.48 -1.26 -1.38 118.94 117.06 2wr5 s TRP 233 Ca 0.21 -0.43 -0.11 0.00 -1.06 0.00 0.00 56.10 54.71 2wr5 s TRP 233 Cb 0.04 -0.09 0.01 0.00 -1.16 0.00 0.00 33.47 32.26 2wr5 s TRP 233 CO 0.04 -0.42 0.23 -0.08 -4.06 0.00 0.00 176.95 172.66 2wr5 s THR 234 N -2.80 0.12 -0.37 0.66 -1.32 -0.35 -4.99 115.64 106.58 2wr5 s THR 234 Ca -0.03 -0.95 -0.17 0.00 -1.21 0.00 0.00 61.69 59.33 2wr5 s THR 234 Cb 0.00 -1.13 0.00 0.00 -1.51 0.00 0.00 72.50 69.86 2wr5 s THR 234 CO -0.05 -0.53 0.43 -0.76 -2.21 0.00 0.00 174.62 171.50 2wr5 s LEU 235 N -2.49 4.56 -0.21 9.08 1.43 -1.26 -1.39 118.68 128.39 2wr5 s LEU 235 Ca 0.00 -0.33 -0.24 0.00 -1.03 0.00 0.00 54.13 52.53 2wr5 s LEU 235 Cb 0.02 -2.42 -0.01 0.00 0.03 0.00 0.00 46.19 43.81 2wr5 s LEU 235 CO -0.08 -0.46 0.79 -0.22 0.23 0.00 0.00 176.35 176.61 2wr5 s LEU 236 N 2.16 4.12 0.75 1.79 2.96 0.13 -4.92 118.68 125.66 2wr5 s LEU 236 Ca 0.14 1.02 -0.11 0.00 -0.22 0.00 0.00 54.13 54.96 2wr5 s LEU 236 Cb -0.16 -3.13 0.04 0.00 0.50 0.00 0.00 46.19 43.43 2wr5 s LEU 236 CO 0.13 -0.43 1.08 -0.70 -1.32 0.00 0.00 176.35 175.11 2wr5 s GLU 237 N 2.46 2.50 0.30 1.98 2.56 -1.26 -2.13 118.70 125.11 2wr5 s GLU 237 Ca 0.34 0.70 -0.29 0.00 0.00 0.00 0.00 54.97 55.72 2wr5 s GLU 237 Cb -0.16 -1.96 -0.11 0.00 2.00 0.00 0.00 34.13 33.90 2wr5 s GLU 237 CO 0.09 -1.34 1.52 0.95 -0.56 0.00 0.00 175.26 175.92 2wr5 s THR 238 N -3.16 2.23 0.00 -1.70 -4.23 -1.26 -1.90 115.64 105.63 2wr5 s THR 238 Ca 0.59 0.20 0.00 0.00 -1.18 0.00 0.00 61.69 61.31 2wr5 s THR 238 Cb -0.14 -3.13 0.00 0.00 1.34 0.00 0.00 72.50 70.57 2wr5 s THR 238 CO 0.54 0.04 0.00 0.79 -0.54 0.00 0.00 174.62 175.45 2wr5 n TRP 239 N 1.73 0.00 -3.27 3.99 7.02 -0.30 -4.99 117.44 121.61 2wr5 n TRP 239 Ca 0.06 0.00 -0.25 0.00 -1.02 0.00 0.00 57.50 56.28 2wr5 n TRP 239 Cb 0.39 -0.93 -0.01 0.00 -2.42 0.00 0.00 31.31 28.34 2wr5 n TRP 239 CO 0.00 0.00 0.00 0.34 -2.02 0.00 0.00 177.69 176.01 2wr5 s ASP 240 N -2.23 6.32 0.05 -0.99 3.68 -0.80 -4.79 116.67 117.91 2wr5 s ASP 240 Ca 0.00 0.56 0.08 0.00 2.13 0.00 0.00 52.55 55.32 2wr5 s ASP 240 Cb 0.00 -2.08 -0.03 0.00 -1.45 0.00 0.00 42.92 39.36 2wr5 s ASP 240 CO 0.00 -0.31 -0.24 0.54 0.13 0.00 0.00 175.17 175.29 2wr5 s VAL 241 N -2.33 1.91 -0.13 1.11 0.11 -1.26 -1.41 120.40 118.40 2wr5 s VAL 241 Ca 0.42 -1.34 -0.02 0.00 -2.93 0.00 0.00 61.98 58.10 2wr5 s VAL 241 Cb -0.10 -1.66 -0.03 0.00 -1.53 0.00 0.00 36.38 33.07 2wr5 s VAL 241 CO 0.36 0.25 -0.05 -0.51 -3.33 0.00 0.00 175.10 171.82 2wr5 s ILE 242 N -0.84 3.77 -0.17 7.04 2.07 -0.59 -4.40 121.20 128.09 2wr5 s ILE 242 Ca 0.10 -0.41 -0.03 0.00 -1.41 0.00 0.00 60.65 58.90 2wr5 s ILE 242 Cb -0.09 -2.62 -0.02 0.00 0.13 0.00 0.00 42.46 39.85 2wr5 s ILE 242 CO 0.02 0.52 -0.06 0.20 -1.91 0.00 0.00 174.94 173.71 2wr5 s ASN 243 N 0.09 4.42 -0.07 4.50 0.01 0.11 -1.63 114.94 122.37 2wr5 s ASN 243 Ca -0.01 -0.27 -0.03 0.00 -0.71 0.00 0.00 52.86 51.83 2wr5 s ASN 243 Cb -0.14 -1.72 -0.04 0.00 0.41 0.00 0.00 41.25 39.77 2wr5 s ASN 243 CO 0.03 0.10 0.07 -0.36 -1.51 0.00 0.00 177.10 175.43 2wr5 s PHE 244 N 0.73 3.34 -0.13 2.20 0.40 0.04 -1.28 117.98 123.28 2wr5 s PHE 244 Ca -0.03 0.30 -0.10 0.00 -0.60 0.00 0.00 56.93 56.51 2wr5 s PHE 244 Cb -0.15 -1.82 0.04 0.00 0.51 0.00 0.00 43.02 41.60 2wr5 s PHE 244 CO 0.02 0.58 0.33 -2.00 0.70 0.00 0.00 175.22 174.85 2wr5 s GLU 245 N -1.19 0.35 -0.25 0.44 2.12 0.00 -2.59 118.70 117.57 2wr5 s GLU 245 Ca 0.17 0.56 -0.26 0.00 0.36 0.00 0.00 54.97 55.80 2wr5 s GLU 245 Cb -0.12 0.07 0.09 0.00 0.26 0.00 0.00 34.13 34.43 2wr5 s GLU 245 CO 0.06 -0.10 0.81 0.45 -0.54 0.00 0.00 175.26 175.95 2wr5 s SER 246 N 0.72 -0.65 0.00 -1.70 0.15 -0.21 0.55 113.70 112.56 2wr5 s SER 246 Ca -0.04 1.20 0.22 0.00 0.70 0.00 0.00 55.95 58.03 2wr5 s SER 246 Cb -0.06 1.20 0.44 0.00 -1.71 0.00 0.00 66.02 65.90 2wr5 s SER 246 CO -0.05 -0.25 1.40 0.35 1.20 0.00 0.00 173.24 175.89 2wr5 n THR 247 N 2.37 0.59 0.00 6.45 -2.24 -1.06 -1.35 114.28 119.04 2wr5 n THR 247 Ca -0.14 -0.80 0.00 0.00 -2.27 0.00 0.00 64.05 60.85 2wr5 n THR 247 Cb 0.55 0.90 0.00 0.00 -2.10 0.00 0.00 70.33 69.68 2wr5 n THR 247 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr5 n GLY 248 N 1.46 3.60 2.57 3.38 0.00 -1.25 -4.77 105.19 110.17 2wr5 n GLY 248 Ca 0.19 -1.02 0.00 0.00 0.00 0.00 0.00 46.02 45.19 2wr5 n GLY 248 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wr5 n ASN 249 N 0.00 -1.68 -4.70 1.61 3.02 -1.26 -4.40 115.26 107.85 2wr5 n ASN 249 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 2wr5 n ASN 249 Cb 0.00 -0.49 -0.04 0.00 -0.61 0.00 0.00 39.78 38.64 2wr5 n ASN 249 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2wr5 s LEU 250 N 0.00 4.30 -0.47 3.41 2.96 -1.26 -0.04 118.68 127.58 2wr5 s LEU 250 Ca 0.00 1.36 -0.13 0.00 -0.22 0.00 0.00 54.13 55.14 2wr5 s LEU 250 Cb 0.00 -3.30 0.09 0.00 0.50 0.00 0.00 46.19 43.48 2wr5 s LEU 250 CO 0.00 -0.25 0.36 -0.63 -1.32 0.00 0.00 176.35 174.52 2wr5 s ILE 251 N 1.24 4.77 0.28 6.68 -1.09 0.19 -3.57 121.20 129.70 2wr5 s ILE 251 Ca 0.43 -1.35 -0.15 0.00 -2.23 0.00 0.00 60.65 57.35 2wr5 s ILE 251 Cb -0.19 -3.95 -0.08 0.00 -1.58 0.00 0.00 42.46 36.66 2wr5 s ILE 251 CO 0.20 -0.64 0.69 0.00 -1.23 0.00 0.00 174.94 173.97 2wr5 s ALA 252 N 1.53 3.39 0.47 9.38 0.00 -0.40 -1.27 121.76 134.85 2wr5 s ALA 252 Ca 0.04 0.01 -0.19 0.00 0.00 0.00 0.00 51.96 51.81 2wr5 s ALA 252 Cb -0.25 -2.71 -0.10 0.00 0.00 0.00 0.00 23.12 20.06 2wr5 s ALA 252 CO 0.03 0.37 0.97 -1.25 0.00 0.00 0.00 175.76 175.88 2wr5 s PRO 253 N -2.72 4.08 -0.19 0.00 0.05 -1.25 -0.19 135.00 134.78 2wr5 s PRO 253 Ca 0.50 1.08 0.10 0.00 0.05 0.00 0.00 61.00 62.73 2wr5 s PRO 253 Cb -0.12 -2.16 -0.19 0.00 0.05 0.00 0.00 34.50 32.09 2wr5 s PRO 253 CO 0.19 -0.16 -0.04 -1.91 0.05 0.00 0.00 177.00 175.13 2wr5 n GLU 254 N -1.03 0.95 -4.22 4.56 2.13 -0.31 -4.62 120.64 118.10 2wr5 n GLU 254 Ca 0.07 0.04 -0.26 0.00 0.66 0.00 0.00 57.16 57.67 2wr5 n GLU 254 Cb 0.54 -1.44 -0.08 0.00 0.27 0.00 0.00 31.44 30.73 2wr5 n GLU 254 CO 0.00 0.00 0.00 0.71 -0.41 0.00 0.00 177.13 177.43 2wr5 s TYR 255 N -2.43 2.82 0.52 4.31 1.51 -1.24 -1.19 117.35 121.66 2wr5 s TYR 255 Ca -0.16 -0.15 0.02 0.00 -1.01 0.00 0.00 57.07 55.77 2wr5 s TYR 255 Cb 0.06 -1.35 0.00 0.00 -0.11 0.00 0.00 41.96 40.57 2wr5 s TYR 255 CO 0.63 0.53 0.12 0.20 -1.11 0.00 0.00 175.55 175.93 2wr5 s GLY 256 N -3.06 2.83 -0.23 0.71 0.00 0.24 -4.69 107.32 103.12 2wr5 s GLY 256 Ca 0.28 -0.63 -0.02 0.00 0.00 0.00 0.00 44.72 44.35 2wr5 s GLY 256 CO 0.19 -2.12 0.04 -1.36 0.00 0.00 0.00 173.10 169.85 2wr5 s PHE 257 N -2.85 1.39 0.30 1.90 0.40 0.10 -1.68 117.98 117.55 2wr5 s PHE 257 Ca 0.14 -1.22 -0.30 0.00 -0.60 0.00 0.00 56.93 54.95 2wr5 s PHE 257 Cb 0.00 -1.29 -0.12 0.00 0.51 0.00 0.00 43.02 42.13 2wr5 s PHE 257 CO 0.08 -0.71 1.50 1.63 0.70 0.00 0.00 175.22 178.43 2wr5 n LYS 258 N 4.94 2.50 -3.70 0.44 5.02 0.34 -1.01 118.16 126.69 2wr5 n LYS 258 Ca -0.08 0.89 -0.12 0.00 -2.02 0.00 0.00 58.31 56.98 2wr5 n LYS 258 Cb 0.45 -2.61 -0.09 0.00 -0.02 0.00 0.00 35.03 32.76 2wr5 n LYS 258 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 2wr5 s ILE 259 N -0.35 -0.00 0.08 -0.18 2.07 -0.01 -1.17 121.20 121.64 2wr5 s ILE 259 Ca 0.62 0.02 0.03 0.00 -1.41 0.00 0.00 60.65 59.91 2wr5 s ILE 259 Cb -0.53 -0.68 -0.03 0.00 0.13 0.00 0.00 42.46 41.34 2wr5 s ILE 259 CO 0.53 0.01 -0.10 -0.44 -1.91 0.00 0.00 174.94 173.03 2wr5 s SER 260 N 0.55 1.34 0.01 4.50 0.01 -1.01 -3.92 113.70 115.18 2wr5 s SER 260 Ca -0.02 -0.77 -0.01 0.00 1.31 0.00 0.00 55.95 56.46 2wr5 s SER 260 Cb -0.04 0.02 -0.01 0.00 0.21 0.00 0.00 66.02 66.19 2wr5 s SER 260 CO -0.03 -0.25 0.01 -0.54 0.41 0.00 0.00 173.24 172.84 2wr5 s LYS 261 N -2.58 0.22 -0.14 12.44 1.02 -1.26 0.45 119.74 129.89 2wr5 s LYS 261 Ca 0.03 -0.34 -0.13 0.00 0.02 0.00 0.00 55.97 55.55 2wr5 s LYS 261 Cb -0.04 0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 37.31 2wr5 s LYS 261 CO -0.00 -0.04 -0.26 2.89 -0.92 0.00 0.00 175.35 177.02 2wr5 n ARG 262 N 2.16 0.41 0.00 1.68 -4.01 -1.26 -4.96 116.66 110.67 2wr5 n ARG 262 Ca -0.19 0.19 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 2wr5 n ARG 262 Cb 0.57 -1.25 0.00 0.00 -3.04 0.00 0.00 32.46 28.74 2wr5 n ARG 262 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 2wr5 n GLY 263 N 1.49 6.20 3.51 2.89 0.00 -1.26 -5.17 105.19 112.84 2wr5 n GLY 263 Ca -0.10 -1.80 -0.24 0.00 0.00 0.00 0.00 46.02 43.87 2wr5 n GLY 263 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wr5 s SER 264 N 1.00 3.17 0.00 1.61 0.01 -1.26 -4.78 113.70 113.45 2wr5 s SER 264 Ca 0.00 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 55.98 2wr5 s SER 264 Cb 0.00 -0.25 0.00 0.00 0.21 0.00 0.00 66.02 65.98 2wr5 s SER 264 CO 0.00 -0.40 0.00 -0.24 0.41 0.00 0.00 173.24 173.01 2wr5 n SER 265 N -0.75 0.38 -3.55 2.44 2.88 -1.26 -4.92 113.62 108.84 2wr5 n SER 265 Ca -0.05 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.40 2wr5 n SER 265 Cb 0.65 0.00 -0.02 0.00 -0.75 0.00 0.00 64.21 64.09 2wr5 n SER 265 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2wr5 s GLY 266 N 0.00 -0.45 -0.18 0.46 0.00 -1.26 -4.75 107.32 101.14 2wr5 s GLY 266 Ca 0.00 0.44 -0.15 0.00 0.00 0.00 0.00 44.72 45.00 2wr5 s GLY 266 CO 0.00 0.14 0.35 -0.42 0.00 0.00 0.00 173.10 173.17 2wr5 s ILE 267 N -3.58 5.25 -0.31 0.90 1.01 -1.26 -2.56 121.20 120.64 2wr5 s ILE 267 Ca 0.05 0.64 -0.09 0.00 0.00 0.00 0.00 60.65 61.25 2wr5 s ILE 267 Cb -0.02 -3.69 -0.00 0.00 0.01 0.00 0.00 42.46 38.76 2wr5 s ILE 267 CO -0.07 0.31 0.14 -0.32 0.00 0.00 0.00 174.94 175.00 2wr5 s MET 268 N 0.95 3.24 0.05 2.79 -2.45 0.60 -4.90 119.30 119.59 2wr5 s MET 268 Ca 0.18 -0.78 -0.30 0.00 -1.25 0.00 0.00 55.69 53.54 2wr5 s MET 268 Cb -0.14 -3.53 -0.05 0.00 1.25 0.00 0.00 34.83 32.36 2wr5 s MET 268 CO 0.07 -0.44 1.16 0.15 1.05 0.00 0.00 175.02 177.01 2wr5 s LYS 269 N 1.58 4.45 0.00 4.11 3.01 -1.26 -2.87 119.74 128.76 2wr5 s LYS 269 Ca 0.04 1.71 0.00 0.00 -1.01 0.00 0.00 55.97 56.71 2wr5 s LYS 269 Cb -0.17 -3.36 0.00 0.00 -1.01 0.00 0.00 37.83 33.28 2wr5 s LYS 269 CO 0.05 -0.22 0.00 -2.37 0.51 0.00 0.00 175.35 173.32 2wr5 n THR 270 N 3.91 0.00 0.14 2.17 5.66 -1.17 -4.84 114.28 120.16 2wr5 n THR 270 Ca 0.08 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.12 2wr5 n THR 270 Cb 0.47 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 69.20 2wr5 n THR 270 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 2wr5 n GLU 271 N -0.28 2.33 -0.80 1.09 1.02 -1.26 -4.25 120.64 118.50 2wr5 n GLU 271 Ca 0.00 -0.03 -0.34 0.00 -0.02 0.00 0.00 57.16 56.77 2wr5 n GLU 271 Cb 0.00 -1.00 0.12 0.00 -0.02 0.00 0.00 31.44 30.54 2wr5 n GLU 271 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wr5 n LYS 272 N -1.47 -0.65 -4.27 3.49 5.02 -1.26 -5.04 118.16 113.98 2wr5 n LYS 272 Ca -0.00 -0.17 -0.20 0.00 -2.02 0.00 0.00 58.31 55.92 2wr5 n LYS 272 Cb 0.14 -1.63 -0.11 0.00 -0.02 0.00 0.00 35.03 33.41 2wr5 n LYS 272 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 2wr5 s THR 273 N -2.26 1.51 0.59 -0.18 -4.23 -1.26 -5.05 115.64 104.74 2wr5 s THR 273 Ca 0.53 -1.69 -0.19 0.00 -1.18 0.00 0.00 61.69 59.15 2wr5 s THR 273 Cb -0.15 -1.57 -0.05 0.00 1.34 0.00 0.00 72.50 72.07 2wr5 s THR 273 CO 0.69 -0.30 1.10 -0.11 -0.54 0.00 0.00 174.62 175.45 2wr5 n LEU 274 N 0.65 4.36 0.00 4.79 0.00 -1.26 -4.22 117.00 121.31 2wr5 n LEU 274 Ca -0.16 0.86 0.00 0.00 0.00 0.00 0.00 56.01 56.71 2wr5 n LEU 274 Cb 0.56 -1.45 0.00 0.00 0.00 0.00 0.00 43.42 42.53 2wr5 n LEU 274 CO 0.26 -1.45 -0.05 1.21 0.00 0.00 0.00 177.39 177.37 2wr5 n GLU 275 N -1.08 2.92 -1.19 1.96 2.13 -1.03 -4.96 120.64 119.39 2wr5 n GLU 275 Ca 0.13 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.95 2wr5 n GLU 275 Cb 0.46 -0.33 0.00 0.00 0.27 0.00 0.00 31.44 31.84 2wr5 n GLU 275 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 2wr5 n ASN 276 N -0.28 -1.43 0.00 4.31 5.15 -1.26 -5.08 115.26 116.66 2wr5 n ASN 276 Ca 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 53.98 2wr5 n ASN 276 Cb 0.00 -0.36 0.00 0.00 -0.53 0.00 0.00 39.78 38.89 2wr5 n ASN 276 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wr5 s GLU 278 N 1.49 0.58 0.17 0.00 2.56 -1.26 -3.38 118.70 118.86 2wr5 s GLU 278 Ca 0.00 -0.07 -0.17 0.00 0.00 0.00 0.00 54.97 54.73 2wr5 s GLU 278 Cb 0.00 0.26 0.03 0.00 2.00 0.00 0.00 34.13 36.42 2wr5 s GLU 278 CO 0.00 -0.14 0.49 0.95 -0.56 0.00 0.00 175.26 176.00 2wr5 s THR 279 N -0.98 0.04 -1.11 -1.70 -4.23 -0.86 -4.90 115.64 101.90 2wr5 s THR 279 Ca -0.11 -0.66 0.23 0.00 -1.18 0.00 0.00 61.69 59.98 2wr5 s THR 279 Cb -0.05 -1.41 -0.07 0.00 1.34 0.00 0.00 72.50 72.31 2wr5 s THR 279 CO 0.03 -0.16 1.20 2.29 -0.54 0.00 0.00 174.62 177.44 2wr5 n LYS 280 N -0.31 0.12 -3.62 3.99 0.00 -1.26 -2.16 118.16 114.92 2wr5 n LYS 280 Ca -0.12 -0.09 -0.09 0.00 -0.00 0.00 0.00 58.31 58.01 2wr5 n LYS 280 Cb 0.63 -1.50 -0.09 0.00 -0.00 0.00 0.00 35.03 34.07 2wr5 n LYS 280 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2wr5 s GLN 282 N 2.60 2.15 0.15 0.00 2.00 -0.43 -1.26 119.66 124.87 2wr5 s GLN 282 Ca 0.00 -0.94 0.03 0.00 -2.00 0.00 0.00 55.36 52.46 2wr5 s GLN 282 Cb -0.12 -2.23 -0.04 0.00 0.80 0.00 0.00 33.01 31.41 2wr5 s GLN 282 CO -0.13 0.55 -0.07 0.95 -0.50 0.00 0.00 175.29 176.09 2wr5 s THR 283 N -0.92 0.97 -1.12 -0.34 -4.23 -0.80 -1.32 115.64 107.88 2wr5 s THR 283 Ca 0.15 -2.02 0.09 0.00 -1.18 0.00 0.00 61.69 58.73 2wr5 s THR 283 Cb -0.11 -1.89 0.10 0.00 1.34 0.00 0.00 72.50 71.95 2wr5 s THR 283 CO 0.05 -0.71 1.25 -2.65 -0.54 0.00 0.00 174.62 172.03 2wr5 n PRO 284 N -0.18 0.04 -0.02 3.99 -0.02 -1.26 -1.86 135.00 135.68 2wr5 n PRO 284 Ca -0.10 0.30 0.04 0.00 -2.02 0.00 0.00 63.50 61.73 2wr5 n PRO 284 Cb 0.61 -1.50 -0.15 0.00 -0.02 0.00 0.00 33.50 32.44 2wr5 n PRO 284 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2wr5 n LEU 285 N -1.44 0.12 0.00 2.45 4.77 -1.26 -4.90 117.00 116.74 2wr5 n LEU 285 Ca 0.03 0.05 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 2wr5 n LEU 285 Cb 0.10 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.32 2wr5 n LEU 285 CO 0.08 0.14 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 2wr5 n GLY 286 N 1.40 2.50 3.84 -0.72 0.00 -0.78 -3.99 105.19 107.44 2wr5 n GLY 286 Ca -0.12 -1.12 -0.32 0.00 0.00 0.00 0.00 46.02 44.45 2wr5 n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr5 s ALA 287 N -2.00 3.17 -0.15 4.61 0.00 -0.92 -1.90 121.76 124.58 2wr5 s ALA 287 Ca 0.00 0.18 -0.02 0.00 0.00 0.00 0.00 51.96 52.12 2wr5 s ALA 287 Cb 0.00 -2.97 -0.02 0.00 0.00 0.00 0.00 23.12 20.13 2wr5 s ALA 287 CO 0.00 0.12 -0.08 0.42 0.00 0.00 0.00 175.76 176.22 2wr5 s ILE 288 N -2.22 3.48 -0.24 0.00 1.09 -0.39 -1.35 121.20 121.58 2wr5 s ILE 288 Ca 0.58 -0.50 0.02 0.00 -1.10 0.00 0.00 60.65 59.64 2wr5 s ILE 288 Cb -0.10 -2.50 0.06 0.00 -1.06 0.00 0.00 42.46 38.86 2wr5 s ILE 288 CO 0.20 0.50 -0.09 0.21 -0.10 0.00 0.00 174.94 175.66 2wr5 s ASN 289 N 0.42 4.02 0.09 3.58 2.47 -1.26 -4.24 114.94 120.02 2wr5 s ASN 289 Ca -0.07 -1.21 -0.23 0.00 0.42 0.00 0.00 52.86 51.77 2wr5 s ASN 289 Cb -0.15 -1.36 0.06 0.00 -1.45 0.00 0.00 41.25 38.35 2wr5 s ASN 289 CO 0.04 -0.19 0.56 0.28 -3.72 0.00 0.00 177.10 174.07 2wr5 s THR 290 N 1.26 0.02 -0.08 -5.21 -1.32 -1.26 -5.01 115.64 104.04 2wr5 s THR 290 Ca -0.06 -0.15 0.20 0.00 -1.21 0.00 0.00 61.69 60.47 2wr5 s THR 290 Cb -0.19 -1.01 -0.30 0.00 -1.51 0.00 0.00 72.50 69.49 2wr5 s THR 290 CO -0.06 -0.08 0.45 0.41 -2.21 0.00 0.00 174.62 173.13 2wr5 n THR 291 N 0.06 0.00 -1.67 5.08 -1.04 -1.26 -5.02 114.28 110.42 2wr5 n THR 291 Ca -0.18 -0.42 -0.38 0.00 -2.04 0.00 0.00 64.05 61.03 2wr5 n THR 291 Cb 0.62 0.12 0.05 0.00 -1.82 0.00 0.00 70.33 69.30 2wr5 n THR 291 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2wr5 n LEU 292 N -2.13 4.56 0.06 -4.42 4.77 -1.26 -4.91 117.00 113.66 2wr5 n LEU 292 Ca -0.03 0.89 0.13 0.00 -0.03 0.00 0.00 56.01 56.97 2wr5 n LEU 292 Cb 0.50 -1.47 0.42 0.00 -2.33 0.00 0.00 43.42 40.54 2wr5 n LEU 292 CO 0.41 -1.27 0.79 -0.81 -1.33 0.00 0.00 177.39 175.18 2wr5 n PRO 293 N -1.04 0.16 -4.13 3.23 -0.05 -1.26 -4.69 135.00 127.22 2wr5 n PRO 293 Ca 0.13 0.11 -0.09 0.00 -0.05 0.00 0.00 63.50 63.60 2wr5 n PRO 293 Cb 0.46 -1.67 -0.10 0.00 -0.05 0.00 0.00 33.50 32.14 2wr5 n PRO 293 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 175.50 175.39 2wr5 s PHE 294 N -3.07 0.73 0.12 0.54 0.08 -1.24 -1.20 117.98 113.94 2wr5 s PHE 294 Ca 0.11 -1.01 -0.23 0.00 0.12 0.00 0.00 56.93 55.92 2wr5 s PHE 294 Cb 0.15 -0.46 0.06 0.00 -0.57 0.00 0.00 43.02 42.20 2wr5 s PHE 294 CO 0.60 -0.28 0.58 -3.38 -0.10 0.00 0.00 175.22 172.64 2wr5 s HIS 295 N -3.79 -0.50 -0.06 0.36 -3.43 -0.47 -0.66 115.29 106.74 2wr5 s HIS 295 Ca 0.11 0.39 0.16 0.00 -0.80 0.00 0.00 55.06 54.91 2wr5 s HIS 295 Cb 0.07 0.48 0.31 0.00 -1.43 0.00 0.00 32.58 32.01 2wr5 s HIS 295 CO -0.07 -0.78 1.14 0.27 -2.00 0.00 0.00 174.74 173.30 2wr5 n ASN 296 N -0.12 1.10 -0.07 7.38 6.94 -1.02 -2.07 115.26 127.40 2wr5 n ASN 296 Ca -0.17 -2.57 -0.14 0.00 -0.02 0.00 0.00 54.58 51.68 2wr5 n ASN 296 Cb 0.63 -0.35 -0.06 0.00 -2.36 0.00 0.00 39.78 37.65 2wr5 n ASN 296 CO 0.00 0.00 0.00 0.40 -1.03 0.00 0.00 177.26 176.63 2wr5 h ILE 297 N 4.77 1.33 -1.06 1.53 2.04 -1.90 -3.48 117.51 120.75 2wr5 h ILE 297 Ca -0.10 -1.51 0.20 0.00 1.00 0.00 0.00 64.86 64.46 2wr5 h ILE 297 Cb 1.47 1.83 -0.33 0.00 -0.74 0.00 0.00 36.82 39.05 2wr5 h ILE 297 CO 0.04 0.46 0.83 -2.28 0.00 0.00 0.00 178.15 177.20 2wr5 s HIS 298 N -4.16 -0.06 0.29 1.37 5.04 -1.26 -5.02 115.29 111.49 2wr5 s HIS 298 Ca -0.13 0.13 -0.01 0.00 -1.54 0.00 0.00 55.06 53.51 2wr5 s HIS 298 Cb 0.07 0.28 0.43 0.00 0.04 0.00 0.00 32.58 33.41 2wr5 s HIS 298 CO 0.81 -0.03 1.86 -1.35 -2.34 0.00 0.00 174.74 173.69 2wr5 h PRO 299 N 4.03 0.85 -3.31 2.88 0.11 -1.98 -3.37 132.00 131.21 2wr5 h PRO 299 Ca -0.27 -0.15 -0.78 0.00 0.11 0.00 0.00 66.00 64.92 2wr5 h PRO 299 Cb 1.18 -0.14 -0.20 0.00 0.11 0.00 0.00 31.00 31.95 2wr5 h PRO 299 CO 0.21 0.72 1.55 1.28 -0.21 0.00 0.00 178.00 181.55 2wr5 n LEU 300 N -4.30 6.54 -4.94 2.35 4.77 -1.26 -4.90 117.00 115.26 2wr5 n LEU 300 Ca 0.05 -4.85 -0.25 0.00 -0.03 0.00 0.00 56.01 50.93 2wr5 n LEU 300 Cb 0.19 -1.41 0.03 0.00 -2.33 0.00 0.00 43.42 39.90 2wr5 n LEU 300 CO 0.39 1.48 0.43 0.42 -1.33 0.00 0.00 177.39 178.79 2wr5 s THR 301 N -0.77 3.56 -0.06 -5.08 -4.23 -1.26 -4.38 115.64 103.41 2wr5 s THR 301 Ca 0.36 -0.27 0.00 0.00 -1.18 0.00 0.00 61.69 60.61 2wr5 s THR 301 Cb 0.08 -3.38 0.02 0.00 1.34 0.00 0.00 72.50 70.56 2wr5 s THR 301 CO 0.04 -0.33 -0.05 -0.63 -0.54 0.00 0.00 174.62 173.11 2wr5 s ILE 302 N -2.83 0.63 -3.18 2.99 1.01 -0.43 -4.05 121.20 115.34 2wr5 s ILE 302 Ca 0.53 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 61.06 2wr5 s ILE 302 Cb -0.10 -0.68 0.00 0.00 0.01 0.00 0.00 42.46 41.69 2wr5 s ILE 302 CO 0.42 0.27 0.00 0.61 0.00 0.00 0.00 174.94 176.24 2wr5 n GLY 303 N 4.45 0.75 3.35 6.18 0.00 -0.44 -1.31 105.19 118.17 2wr5 n GLY 303 Ca -0.18 -1.96 -0.46 0.00 0.00 0.00 0.00 46.02 43.42 2wr5 n GLY 303 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2wr5 s GLU 304 N -1.27 3.44 0.29 1.61 2.02 -0.28 -2.19 118.70 122.32 2wr5 s GLU 304 Ca 0.00 -2.12 0.09 0.00 0.02 0.00 0.00 54.97 52.96 2wr5 s GLU 304 Cb 0.00 -4.46 -0.04 0.00 0.10 0.00 0.00 34.13 29.73 2wr5 s GLU 304 CO 0.00 -1.39 0.04 0.00 0.02 0.00 0.00 175.26 173.92 2wr5 s PRO 306 N -3.72 0.60 0.09 0.00 0.02 -1.26 -4.82 135.00 125.91 2wr5 s PRO 306 Ca 0.33 0.87 -0.30 0.00 0.02 0.00 0.00 61.00 61.92 2wr5 s PRO 306 Cb -0.05 -1.73 -0.05 0.00 0.02 0.00 0.00 34.50 32.69 2wr5 s PRO 306 CO 0.21 -2.70 0.96 0.21 -0.33 0.00 0.00 177.00 175.34 2wr5 s LYS 307 N -4.80 4.67 0.03 5.54 2.47 -0.34 -4.75 119.74 122.57 2wr5 s LYS 307 Ca 0.65 1.44 -0.25 0.00 -1.56 0.00 0.00 55.97 56.24 2wr5 s LYS 307 Cb -0.20 -3.39 -0.05 0.00 -1.46 0.00 0.00 37.83 32.73 2wr5 s LYS 307 CO 0.59 0.17 0.79 -0.47 0.16 0.00 0.00 175.35 176.59 2wr5 s TYR 308 N 0.16 3.71 0.10 4.03 5.04 -1.26 -1.37 117.35 127.77 2wr5 s TYR 308 Ca 0.48 1.48 0.04 0.00 -2.44 0.00 0.00 57.07 56.63 2wr5 s TYR 308 Cb -0.23 -2.86 -0.04 0.00 0.35 0.00 0.00 41.96 39.19 2wr5 s TYR 308 CO 0.29 0.22 -0.11 0.08 -1.34 0.00 0.00 175.55 174.70 2wr5 s VAL 309 N 0.14 1.00 -0.10 3.14 1.01 -0.88 -4.79 120.40 119.92 2wr5 s VAL 309 Ca 0.40 -1.63 0.16 0.00 0.00 0.00 0.00 61.98 60.91 2wr5 s VAL 309 Cb -0.20 -1.37 0.08 0.00 0.00 0.00 0.00 36.38 34.89 2wr5 s VAL 309 CO 0.23 -0.52 1.50 0.11 0.00 0.00 0.00 175.10 176.42 2wr5 h LYS 310 N 3.59 0.00 -6.35 2.72 1.57 -1.90 -3.42 116.57 112.78 2wr5 h LYS 310 Ca -0.38 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 57.82 2wr5 h LYS 310 Cb 1.19 0.00 0.18 0.00 0.08 0.00 0.00 32.23 33.68 2wr5 h LYS 310 CO 0.52 0.47 -0.74 0.45 -0.57 0.00 0.00 179.45 179.58 2wr5 n SER 311 N -3.27 -2.28 -0.44 0.86 2.88 -1.26 -4.96 113.62 105.15 2wr5 n SER 311 Ca 0.02 0.63 0.06 0.00 -1.33 0.00 0.00 58.87 58.25 2wr5 n SER 311 Cb 0.69 -1.05 0.12 0.00 -0.75 0.00 0.00 64.21 63.21 2wr5 n SER 311 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2wr5 n ASP 312 N 1.13 1.58 -3.24 -3.46 5.68 -1.26 -4.82 116.55 112.17 2wr5 n ASP 312 Ca 0.09 -2.96 0.04 0.00 -0.50 0.00 0.00 54.79 51.46 2wr5 n ASP 312 Cb 0.49 -0.40 -0.03 0.00 -1.14 0.00 0.00 41.12 40.04 2wr5 n ASP 312 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2wr5 s ARG 313 N -2.09 0.15 -0.50 0.11 0.52 -1.26 -5.10 118.95 110.79 2wr5 s ARG 313 Ca 0.27 0.35 0.03 0.00 -0.52 0.00 0.00 55.73 55.86 2wr5 s ARG 313 Cb 0.26 0.20 0.15 0.00 0.52 0.00 0.00 34.95 36.08 2wr5 s ARG 313 CO -0.02 -0.09 0.31 -0.51 0.02 0.00 0.00 175.30 175.00 2wr5 s LEU 314 N 2.49 3.17 -0.28 2.53 1.43 -1.26 -5.05 118.68 121.71 2wr5 s LEU 314 Ca -0.02 -2.98 -0.11 0.00 -1.03 0.00 0.00 54.13 50.00 2wr5 s LEU 314 Cb -0.06 -1.16 -0.04 0.00 0.03 0.00 0.00 46.19 44.97 2wr5 s LEU 314 CO -0.14 -0.21 0.17 -0.69 0.23 0.00 0.00 176.35 175.71 2wr5 s VAL 315 N -0.13 5.10 -0.20 -1.59 1.01 -1.26 -1.08 120.40 122.24 2wr5 s VAL 315 Ca 0.21 0.03 -0.19 0.00 0.00 0.00 0.00 61.98 62.03 2wr5 s VAL 315 Cb -0.17 -3.45 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 2wr5 s VAL 315 CO -0.06 0.22 0.53 -0.22 0.00 0.00 0.00 175.10 175.57 2wr5 s LEU 316 N 1.72 4.15 0.31 3.92 2.96 0.80 -4.68 118.68 127.87 2wr5 s LEU 316 Ca 0.07 0.70 -0.29 0.00 -0.22 0.00 0.00 54.13 54.39 2wr5 s LEU 316 Cb -0.16 -2.73 -0.10 0.00 0.50 0.00 0.00 46.19 43.70 2wr5 s LEU 316 CO 0.09 -0.18 1.36 0.00 -1.32 0.00 0.00 176.35 176.30 2wr5 s ALA 317 N 1.62 3.54 0.00 5.97 0.00 -1.26 -1.20 121.76 130.42 2wr5 s ALA 317 Ca 0.25 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.51 2wr5 s ALA 317 Cb -0.15 -3.51 0.00 0.00 0.00 0.00 0.00 23.12 19.46 2wr5 s ALA 317 CO 0.10 -0.71 0.00 0.25 0.00 0.00 0.00 175.76 175.40 2wr5 n THR 318 N 1.16 0.00 -0.14 0.00 -2.24 -0.53 -4.87 114.28 107.66 2wr5 n THR 318 Ca 0.02 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.80 2wr5 n THR 318 Cb 0.41 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 2wr5 n THR 318 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wr5 n GLY 319 N 3.00 0.63 3.69 3.38 0.00 0.34 -4.91 105.19 111.32 2wr5 n GLY 319 Ca 0.00 -1.57 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 2wr5 n GLY 319 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 2wr5 s LEU 320 N 0.00 2.59 0.27 0.99 0.05 -1.26 -4.77 118.68 116.54 2wr5 s LEU 320 Ca 0.00 -1.51 -0.30 0.00 0.05 0.00 0.00 54.13 52.37 2wr5 s LEU 320 Cb 0.00 -0.82 -0.13 0.00 -2.05 0.00 0.00 46.19 43.19 2wr5 s LEU 320 CO 0.00 -0.65 1.42 -1.14 -0.55 0.00 0.00 176.35 175.43 2wr5 n ARG 321 N -1.12 2.19 -3.63 1.48 0.63 -1.26 -0.40 116.66 114.55 2wr5 n ARG 321 Ca -0.12 0.78 -0.40 0.00 -0.92 0.00 0.00 57.85 57.19 2wr5 n ARG 321 Cb 0.67 -2.45 -0.11 0.00 0.45 0.00 0.00 32.46 31.02 2wr5 n ARG 321 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 2wr5 s ASN 322 N 0.22 5.64 -0.01 6.15 2.47 -0.29 -4.74 114.94 124.39 2wr5 s ASN 322 Ca 0.65 -1.13 0.05 0.00 0.42 0.00 0.00 52.86 52.85 2wr5 s ASN 322 Cb -0.60 -1.99 -0.01 0.00 -1.45 0.00 0.00 41.25 37.20 2wr5 s ASN 322 CO 0.52 -0.41 -0.17 0.68 -3.72 0.00 0.00 177.10 174.00 2wr5 s VAL 323 N 1.50 1.34 -0.78 -5.21 -7.23 -1.26 -4.81 120.40 103.96 2wr5 s VAL 323 Ca 0.01 -0.77 0.00 0.00 -1.81 0.00 0.00 61.98 59.41 2wr5 s VAL 323 Cb -0.20 -1.13 0.00 0.00 0.56 0.00 0.00 36.38 35.61 2wr5 s VAL 323 CO 0.05 0.34 0.68 -2.65 -0.31 0.00 0.00 175.10 173.22 2wr5 n PRO 324 N 2.56 0.00 0.00 4.82 -0.02 -1.26 -2.75 135.00 138.35 2wr5 n PRO 324 Ca -0.15 0.23 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2wr5 n PRO 324 Cb 0.54 -1.64 0.00 0.00 -0.02 0.00 0.00 33.50 32.38 2wr5 n PRO 324 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wr5 n GLY 330 N -1.18 -0.88 0.08 -1.23 0.00 -0.83 -4.69 105.19 96.46 2wr5 n GLY 330 Ca 0.00 0.02 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 2wr5 n GLY 330 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 2wr5 h LEU 331 N 0.00 0.12 -2.40 0.99 5.85 -1.92 -3.22 115.31 114.74 2wr5 h LEU 331 Ca 0.00 -0.13 0.00 0.00 0.84 0.00 0.00 57.88 58.59 2wr5 h LEU 331 Cb 0.00 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.99 2wr5 h LEU 331 CO 0.00 1.06 0.00 0.49 -0.34 0.00 0.00 178.44 179.65 2wr5 n PHE 332 N -3.45 0.51 -1.81 1.25 3.01 -1.26 -4.98 117.46 110.73 2wr5 n PHE 332 Ca -0.02 -0.31 -0.18 0.00 1.01 0.00 0.00 57.45 57.95 2wr5 n PHE 332 Cb 0.93 -0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.34 2wr5 n PHE 332 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wr5 n GLY 333 N 1.26 1.02 0.00 1.37 0.00 -1.22 -4.89 105.19 102.74 2wr5 n GLY 333 Ca 0.17 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2wr5 n GLY 333 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr5 n ALA 334 N 0.21 0.00 -1.64 4.61 0.00 -1.26 -1.81 120.51 120.61 2wr5 n ALA 334 Ca -0.19 -0.05 -0.47 0.00 0.00 0.00 0.00 53.44 52.72 2wr5 n ALA 334 Cb 0.62 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.03 2wr5 n ALA 334 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2wr5 n ILE 335 N -1.60 0.33 -1.77 0.00 5.41 -1.26 -0.31 119.36 120.15 2wr5 n ILE 335 Ca 0.00 -0.08 -0.15 0.00 1.00 0.00 0.00 62.75 63.52 2wr5 n ILE 335 Cb 0.00 -1.27 -0.05 0.00 -0.71 0.00 0.00 39.64 37.62 2wr5 n ILE 335 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wr5 n ALA 336 N 2.62 -0.40 -2.14 -1.39 0.00 -1.24 -1.96 120.51 116.00 2wr5 n ALA 336 Ca 0.16 0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.80 2wr5 n ALA 336 Cb 0.27 -1.62 0.00 0.00 0.00 0.00 0.00 19.45 18.10 2wr5 n ALA 336 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wr5 n GLY 337 N -0.48 2.87 0.07 0.00 0.00 0.57 -4.61 105.19 103.60 2wr5 n GLY 337 Ca -0.16 -0.31 0.11 0.00 0.00 0.00 0.00 46.02 45.66 2wr5 n GLY 337 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 2wr5 n PHE 338 N 0.00 0.46 -3.64 1.61 1.16 -0.75 -3.09 117.46 113.21 2wr5 n PHE 338 Ca 0.00 0.17 -0.38 0.00 -1.87 0.00 0.00 57.45 55.37 2wr5 n PHE 338 Cb 0.00 -0.77 -0.08 0.00 -1.61 0.00 0.00 39.48 37.02 2wr5 n PHE 338 CO 0.00 0.00 0.00 0.42 -1.87 0.00 0.00 176.76 175.31 2wr5 s ILE 339 N -3.14 4.14 -1.58 1.97 1.01 -0.92 -3.80 121.20 118.89 2wr5 s ILE 339 Ca 0.08 -3.14 0.09 0.00 0.00 0.00 0.00 60.65 57.68 2wr5 s ILE 339 Cb 0.11 -3.64 0.19 0.00 0.01 0.00 0.00 42.46 39.13 2wr5 s ILE 339 CO 0.41 -0.95 1.13 -1.84 0.00 0.00 0.00 174.94 173.68 2wr5 n GLU 340 N 3.24 0.17 -3.52 2.79 0.28 -1.18 -3.60 120.64 118.82 2wr5 n GLU 340 Ca 0.12 0.15 -0.13 0.00 -0.16 0.00 0.00 57.16 57.14 2wr5 n GLU 340 Cb 0.39 -1.50 -0.04 0.00 1.43 0.00 0.00 31.44 31.72 2wr5 n GLU 340 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2wr5 s GLY 341 N -2.42 -0.49 0.59 -1.84 0.00 -1.26 -4.75 107.32 97.15 2wr5 s GLY 341 Ca 0.10 0.52 -0.03 0.00 0.00 0.00 0.00 44.72 45.31 2wr5 s GLY 341 CO 0.13 0.21 0.86 -0.32 0.00 0.00 0.00 173.10 173.97 2wr5 s GLY 342 N -2.34 1.68 -0.35 0.20 0.00 -1.11 -4.72 107.32 100.68 2wr5 s GLY 342 Ca -0.02 -0.99 -0.09 0.00 0.00 0.00 0.00 44.72 43.62 2wr5 s GLY 342 CO -0.07 -0.69 0.16 -0.98 0.00 0.00 0.00 173.10 171.51 2wr5 s TRP 343 N -2.92 3.23 0.24 1.90 0.51 -0.44 -4.82 118.94 116.64 2wr5 s TRP 343 Ca 0.56 -1.09 -0.05 0.00 -2.12 0.00 0.00 56.10 53.39 2wr5 s TRP 343 Cb -0.10 -2.36 0.44 0.00 -0.81 0.00 0.00 33.47 30.64 2wr5 s TRP 343 CO 0.42 -0.65 1.69 1.96 -0.51 0.00 0.00 176.95 179.86 2wr5 h GLN 344 N 8.34 0.28 0.00 4.98 1.08 -1.90 -2.92 115.11 124.96 2wr5 h GLN 344 Ca -0.26 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 2wr5 h GLN 344 Cb 1.10 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.47 2wr5 h GLN 344 CO 0.64 0.18 0.00 0.41 -0.95 0.00 0.00 178.83 179.11 2wr5 n GLY 345 N -1.35 -3.03 3.73 3.46 0.00 -1.26 -4.71 105.19 102.03 2wr5 n GLY 345 Ca 0.14 0.23 -0.63 0.00 0.00 0.00 0.00 46.02 45.76 2wr5 n GLY 345 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2wr5 n MET 346 N -1.15 0.58 -3.34 1.61 0.00 -1.25 -4.92 117.12 108.65 2wr5 n MET 346 Ca 0.00 0.21 -0.24 0.00 -0.00 0.00 0.00 57.70 57.67 2wr5 n MET 346 Cb 0.00 -1.80 -0.09 0.00 0.00 0.00 0.00 33.22 31.33 2wr5 n MET 346 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 175.97 176.11 2wr5 s VAL 347 N 3.24 0.07 0.00 1.12 -7.23 -1.26 -4.67 120.40 111.68 2wr5 s VAL 347 Ca 1.02 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 2wr5 s VAL 347 Cb -1.28 -1.02 0.00 0.00 0.56 0.00 0.00 36.38 34.64 2wr5 s VAL 347 CO 0.74 -0.98 0.00 -0.90 -0.31 0.00 0.00 175.10 173.64 2wr5 n ASP 348 N 3.26 0.00 -3.63 4.85 5.75 -1.26 -5.10 116.55 120.42 2wr5 n ASP 348 Ca 0.23 0.00 0.01 0.00 -0.01 0.00 0.00 54.79 55.01 2wr5 n ASP 348 Cb 0.46 0.00 -0.01 0.00 -1.03 0.00 0.00 41.12 40.55 2wr5 n ASP 348 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 2wr5 s GLY 349 N 0.00 -0.39 -0.10 6.12 0.00 -1.26 -4.83 107.32 106.87 2wr5 s GLY 349 Ca 0.00 0.69 0.12 0.00 0.00 0.00 0.00 44.72 45.53 2wr5 s GLY 349 CO 0.00 0.14 0.45 0.79 0.00 0.00 0.00 173.10 174.47 2wr5 n TRP 350 N -0.46 0.74 -4.20 1.90 8.01 -1.26 -4.59 117.44 117.58 2wr5 n TRP 350 Ca -0.08 0.25 -0.18 0.00 -1.31 0.00 0.00 57.50 56.18 2wr5 n TRP 350 Cb 0.62 -1.13 -0.12 0.00 -2.01 0.00 0.00 31.31 28.67 2wr5 n TRP 350 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.69 177.39 2wr5 s TYR 351 N -2.56 1.19 0.02 -5.99 1.51 -1.26 0.14 117.35 110.38 2wr5 s TYR 351 Ca -0.09 -0.44 -0.07 0.00 -1.01 0.00 0.00 57.07 55.46 2wr5 s TYR 351 Cb 0.07 -0.68 0.02 0.00 -0.11 0.00 0.00 41.96 41.27 2wr5 s TYR 351 CO 0.81 0.05 0.32 0.41 -1.11 0.00 0.00 175.55 176.03 2wr5 n GLY 352 N 1.42 0.76 3.63 0.71 0.00 -0.09 -1.36 105.19 110.26 2wr5 n GLY 352 Ca -0.21 -0.93 -0.24 0.00 0.00 0.00 0.00 46.02 44.65 2wr5 n GLY 352 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr5 s TYR 353 N -3.65 2.59 -0.25 1.61 1.51 -0.11 -0.90 117.35 118.16 2wr5 s TYR 353 Ca 0.07 -0.35 -0.02 0.00 -1.01 0.00 0.00 57.07 55.77 2wr5 s TYR 353 Cb -0.00 -1.37 0.12 0.00 -0.11 0.00 0.00 41.96 40.60 2wr5 s TYR 353 CO 0.00 0.53 0.29 -1.58 -1.11 0.00 0.00 175.55 173.68 2wr5 s HIS 354 N -2.44 -0.50 -0.22 2.71 2.46 -0.52 -1.42 115.29 115.36 2wr5 s HIS 354 Ca 0.34 0.17 -0.08 0.00 0.47 0.00 0.00 55.06 55.96 2wr5 s HIS 354 Cb -0.03 -0.32 -0.04 0.00 -0.13 0.00 0.00 32.58 32.06 2wr5 s HIS 354 CO 0.20 -0.78 0.08 -3.38 -2.47 0.00 0.00 174.74 168.38 2wr5 s HIS 355 N 2.39 3.16 -0.62 3.88 -3.43 -0.84 -1.65 115.29 118.17 2wr5 s HIS 355 Ca 0.09 -0.16 -0.22 0.00 -0.80 0.00 0.00 55.06 53.97 2wr5 s HIS 355 Cb -0.15 -2.19 0.07 0.00 -1.43 0.00 0.00 32.58 28.89 2wr5 s HIS 355 CO -0.23 -0.13 0.88 -1.12 -2.00 0.00 0.00 174.74 172.14 2wr5 s SER 356 N 1.13 6.19 0.19 7.38 0.01 -0.92 -4.04 113.70 123.65 2wr5 s SER 356 Ca 0.05 -1.02 0.05 0.00 1.31 0.00 0.00 55.95 56.33 2wr5 s SER 356 Cb -0.14 -2.38 -0.05 0.00 0.21 0.00 0.00 66.02 63.66 2wr5 s SER 356 CO 0.03 -1.31 -0.07 0.21 0.41 0.00 0.00 173.24 172.52 2wr5 s ASN 357 N 3.51 1.92 0.62 2.44 2.47 -0.49 -3.59 114.94 121.83 2wr5 s ASN 357 Ca 0.20 -1.09 0.37 0.00 0.42 0.00 0.00 52.86 52.75 2wr5 s ASN 357 Cb -0.18 -0.02 2.03 0.00 -1.45 0.00 0.00 41.25 41.63 2wr5 s ASN 357 CO 0.10 -0.38 2.27 0.44 -3.72 0.00 0.00 177.10 175.81 2wr5 h ASP 358 N 2.63 0.00 0.16 -4.21 5.19 -1.96 -1.64 116.42 116.59 2wr5 h ASP 358 Ca -0.37 0.00 -0.25 0.00 -0.62 0.00 0.00 57.03 55.79 2wr5 h ASP 358 Cb 1.21 0.00 0.03 0.00 0.18 0.00 0.00 39.33 40.74 2wr5 h ASP 358 CO 0.64 0.02 -1.06 1.56 -3.12 0.00 0.00 179.24 177.27 2wr5 h GLN 359 N 0.00 0.43 0.00 3.56 7.50 -1.96 -3.50 115.11 121.14 2wr5 h GLN 359 Ca -0.00 -0.68 0.00 0.00 0.50 0.00 0.00 58.65 58.47 2wr5 h GLN 359 Cb 0.08 0.25 0.00 0.00 0.05 0.00 0.00 27.48 27.86 2wr5 h GLN 359 CO 0.00 1.31 0.00 0.41 -1.50 0.00 0.00 178.83 179.06 2wr5 n GLY 360 N 1.60 -0.75 0.00 3.46 0.00 -0.62 -5.17 105.19 103.71 2wr5 n GLY 360 Ca -0.15 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.74 2wr5 n GLY 360 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wr5 n SER 361 N 0.00 0.00 0.00 1.61 3.41 -1.26 -1.39 113.62 115.99 2wr5 n SER 361 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wr5 n SER 361 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2wr5 n SER 361 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wr5 n GLY 362 N -0.08 0.00 3.68 5.00 0.00 -1.26 -5.03 105.19 107.50 2wr5 n GLY 362 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2wr5 n GLY 362 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2wr5 s TYR 363 N 0.00 2.79 -0.08 1.61 1.51 -1.26 -1.99 117.35 119.93 2wr5 s TYR 363 Ca 0.00 0.86 -0.03 0.00 -1.01 0.00 0.00 57.07 56.89 2wr5 s TYR 363 Cb 0.00 -3.61 0.04 0.00 -0.11 0.00 0.00 41.96 38.28 2wr5 s TYR 363 CO 0.00 -2.21 0.06 0.00 -1.11 0.00 0.00 175.55 172.29 2wr5 s ALA 364 N 2.91 0.35 0.80 3.71 0.00 -0.51 -5.01 121.76 124.02 2wr5 s ALA 364 Ca 0.61 0.01 -0.11 0.00 0.00 0.00 0.00 51.96 52.47 2wr5 s ALA 364 Cb -0.28 -0.75 0.08 0.00 0.00 0.00 0.00 23.12 22.17 2wr5 s ALA 364 CO 0.23 -0.67 1.12 0.00 0.00 0.00 0.00 175.76 176.44 2wr5 s ALA 365 N 2.13 2.02 -0.39 0.00 0.00 -1.26 -0.93 121.76 123.34 2wr5 s ALA 365 Ca 0.04 0.44 -0.09 0.00 0.00 0.00 0.00 51.96 52.35 2wr5 s ALA 365 Cb -0.13 -3.35 0.06 0.00 0.00 0.00 0.00 23.12 19.70 2wr5 s ALA 365 CO -0.05 -2.04 0.20 0.34 0.00 0.00 0.00 175.76 174.21 2wr5 s ASP 366 N -3.00 5.55 0.20 0.00 3.68 -0.47 -4.79 116.67 117.84 2wr5 s ASP 366 Ca 0.64 -1.30 0.11 0.00 2.13 0.00 0.00 52.55 54.13 2wr5 s ASP 366 Cb -0.20 -1.96 -0.06 0.00 -1.45 0.00 0.00 42.92 39.26 2wr5 s ASP 366 CO 0.54 -0.44 1.37 0.07 0.13 0.00 0.00 175.17 176.84 2wr5 h LYS 367 N 8.35 0.00 -0.14 4.34 2.10 -1.92 -2.56 116.57 126.74 2wr5 h LYS 367 Ca -0.23 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.42 2wr5 h LYS 367 Cb 1.09 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.41 2wr5 h LYS 367 CO 0.69 0.76 0.08 0.93 -2.00 0.00 0.00 179.45 179.91 2wr5 h GLU 368 N 0.00 0.19 0.03 0.07 4.39 -1.97 -2.71 114.58 114.59 2wr5 h GLU 368 Ca -0.01 -0.02 -0.30 0.00 0.34 0.00 0.00 59.36 59.37 2wr5 h GLU 368 Cb 1.57 -0.04 -0.04 0.00 -0.10 0.00 0.00 28.75 30.14 2wr5 h GLU 368 CO 0.10 0.20 -1.68 0.66 -1.16 0.00 0.00 179.01 177.13 2wr5 h SER 369 N 0.13 0.11 0.28 1.42 4.64 -1.96 -3.22 113.55 114.95 2wr5 h SER 369 Ca 0.05 -0.22 -0.03 0.00 -0.47 0.00 0.00 61.79 61.11 2wr5 h SER 369 Cb 0.06 -0.04 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2wr5 h SER 369 CO -0.01 1.20 -0.14 0.74 -0.87 0.00 0.00 176.83 177.75 2wr5 h THR 370 N 0.02 0.78 0.16 2.95 2.02 -1.54 -2.27 112.91 115.03 2wr5 h THR 370 Ca -0.28 -0.56 -0.29 0.00 0.77 0.00 0.00 66.41 66.05 2wr5 h THR 370 Cb 2.00 1.33 0.01 0.00 -1.74 0.00 0.00 68.15 69.75 2wr5 h THR 370 CO 0.09 0.14 -1.32 -0.61 0.37 0.00 0.00 175.52 174.19 2wr5 h GLN 371 N 0.00 0.34 0.00 6.66 5.75 -1.56 -2.01 115.11 124.28 2wr5 h GLN 371 Ca -0.00 -0.57 -0.03 0.00 -0.15 0.00 0.00 58.65 57.90 2wr5 h GLN 371 Cb 0.32 0.21 -0.00 0.00 1.07 0.00 0.00 27.48 29.08 2wr5 h GLN 371 CO 0.02 1.27 -0.13 -0.22 -2.65 0.00 0.00 178.83 177.12 2wr5 h LYS 372 N 0.09 0.00 0.06 1.69 3.64 -1.48 0.22 116.57 120.78 2wr5 h LYS 372 Ca -0.17 0.00 -0.11 0.00 -1.27 0.00 0.00 60.65 59.09 2wr5 h LYS 372 Cb 2.02 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.85 2wr5 h LYS 372 CO 0.22 0.13 -0.55 0.00 -2.27 0.00 0.00 179.45 176.97 2wr5 h ALA 373 N 1.87 0.02 -0.16 5.00 0.00 -1.37 -1.41 119.26 123.22 2wr5 h ALA 373 Ca -0.00 -0.71 0.05 0.00 0.00 0.00 0.00 54.91 54.25 2wr5 h ALA 373 Cb 0.27 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 2wr5 h ALA 373 CO 0.02 0.29 -0.24 0.27 0.00 0.00 0.00 179.25 179.59 2wr5 h PHE 374 N -0.72 -0.64 -0.52 0.00 -0.00 -1.25 0.27 116.94 114.08 2wr5 h PHE 374 Ca -0.12 0.03 0.09 0.00 -0.00 0.00 0.00 57.97 57.98 2wr5 h PHE 374 Cb 1.32 0.31 -0.10 0.00 -0.00 0.00 0.00 35.95 37.47 2wr5 h PHE 374 CO 0.22 -0.32 -0.35 -0.44 -0.00 0.00 0.00 178.31 177.41 2wr5 h ASP 375 N -0.29 -1.21 0.65 -0.68 3.32 -1.03 -0.45 116.42 116.74 2wr5 h ASP 375 Ca 0.11 0.22 -0.03 0.00 0.02 0.00 0.00 57.03 57.35 2wr5 h ASP 375 Cb 0.45 0.58 0.01 0.00 0.22 0.00 0.00 39.33 40.59 2wr5 h ASP 375 CO -0.33 -0.32 -0.31 1.23 -1.72 0.00 0.00 179.24 177.79 2wr5 h GLY 376 N -0.21 -0.92 1.85 2.75 0.00 -0.40 -1.72 103.07 104.43 2wr5 h GLY 376 Ca 0.20 0.34 -0.01 0.00 0.00 0.00 0.00 47.33 47.86 2wr5 h GLY 376 CO -0.63 -0.33 0.02 -2.22 0.00 0.00 0.00 176.54 173.37 2wr5 h ILE 377 N -1.09 1.08 0.08 2.60 5.03 -0.45 -0.55 117.51 124.21 2wr5 h ILE 377 Ca -0.09 -0.29 -0.00 0.00 -0.12 0.00 0.00 64.86 64.35 2wr5 h ILE 377 Cb 0.71 0.96 0.00 0.00 -3.03 0.00 0.00 36.82 35.46 2wr5 h ILE 377 CO 0.15 0.10 -0.04 0.74 -0.68 0.00 0.00 178.15 178.42 2wr5 h THR 378 N 0.19 0.92 -0.16 -0.27 2.02 -1.00 -2.15 112.91 112.47 2wr5 h THR 378 Ca 0.05 0.00 -0.03 0.00 0.77 0.00 0.00 66.41 67.20 2wr5 h THR 378 Cb 0.10 0.92 -0.01 0.00 -1.74 0.00 0.00 68.15 67.43 2wr5 h THR 378 CO -0.00 0.00 -0.03 0.78 0.37 0.00 0.00 175.52 176.64 2wr5 h ASN 379 N -0.10 0.21 0.01 4.18 2.35 -0.27 -1.35 115.58 120.60 2wr5 h ASN 379 Ca -0.01 -0.03 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 2wr5 h ASN 379 Cb 0.08 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.40 2wr5 h ASN 379 CO 0.02 0.28 -0.00 0.50 -1.65 0.00 0.00 177.43 176.57 2wr5 h LYS 380 N 0.22 -0.01 -0.19 0.81 3.64 -0.90 0.86 116.57 121.01 2wr5 h LYS 380 Ca 0.05 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2wr5 h LYS 380 Cb 0.21 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.02 2wr5 h LYS 380 CO 0.01 0.15 0.08 0.28 -2.27 0.00 0.00 179.45 177.70 2wr5 h VAL 381 N -0.17 0.98 -0.65 2.00 2.07 -1.09 -2.21 116.25 117.17 2wr5 h VAL 381 Ca -0.00 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 2wr5 h VAL 381 Cb 0.17 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.69 2wr5 h VAL 381 CO 0.00 0.03 0.34 0.78 0.02 0.00 0.00 177.57 178.74 2wr5 h ASN 382 N 0.18 0.81 -0.44 0.57 2.35 -1.09 -1.56 115.58 116.40 2wr5 h ASN 382 Ca 0.08 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.74 2wr5 h ASN 382 Cb 0.03 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.18 2wr5 h ASN 382 CO -0.07 0.67 0.20 0.28 -1.65 0.00 0.00 177.43 176.86 2wr5 h SER 383 N 0.91 0.58 -0.40 5.81 0.02 -0.53 0.57 113.55 120.51 2wr5 h SER 383 Ca 0.23 -0.14 -0.07 0.00 -0.84 0.00 0.00 61.79 60.97 2wr5 h SER 383 Cb 0.05 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.42 2wr5 h SER 383 CO -0.03 0.56 0.02 0.58 -1.14 0.00 0.00 176.83 176.81 2wr5 h VAL 384 N 0.57 1.24 0.08 2.27 2.07 -0.91 -2.99 116.25 118.58 2wr5 h VAL 384 Ca 0.15 -0.96 -0.13 0.00 0.82 0.00 0.00 66.70 66.58 2wr5 h VAL 384 Cb 0.13 0.85 0.01 0.00 -1.52 0.00 0.00 31.29 30.76 2wr5 h VAL 384 CO -0.02 0.34 -0.61 0.40 0.02 0.00 0.00 177.57 177.70 2wr5 h ILE 385 N 0.73 1.52 -0.03 4.57 2.04 -1.11 -3.39 117.51 121.84 2wr5 h ILE 385 Ca 0.15 -2.43 0.00 0.00 1.00 0.00 0.00 64.86 63.58 2wr5 h ILE 385 Cb 0.42 3.15 0.00 0.00 -0.74 0.00 0.00 36.82 39.65 2wr5 h ILE 385 CO 0.02 0.65 0.00 0.00 0.00 0.00 0.00 178.15 178.81 2wr5 n ALA 386 N -2.73 2.62 0.45 1.87 0.00 0.20 -2.85 120.51 120.06 2wr5 n ALA 386 Ca -0.15 -0.30 0.12 0.00 0.00 0.00 0.00 53.44 53.11 2wr5 n ALA 386 Cb 0.70 -1.31 0.06 0.00 0.00 0.00 0.00 19.45 18.90 2wr5 n ALA 386 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 2wr5 n LYS 387 N -0.44 0.37 -2.13 0.00 4.76 -1.13 -4.90 118.16 114.70 2wr5 n LYS 387 Ca 0.19 0.05 -0.42 0.00 -2.87 0.00 0.00 58.31 55.26 2wr5 n LYS 387 Cb 0.20 -1.67 -0.03 0.00 -1.84 0.00 0.00 35.03 31.69 2wr5 n LYS 387 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 2wr5 s MET 388 N -3.23 4.27 -0.30 1.97 1.75 -1.13 -4.98 119.30 117.64 2wr5 s MET 388 Ca 0.03 2.10 -0.16 0.00 -1.25 0.00 0.00 55.69 56.41 2wr5 s MET 388 Cb 0.13 -3.48 -0.02 0.00 2.84 0.00 0.00 34.83 34.30 2wr5 s MET 388 CO 0.78 -0.58 0.40 1.21 -0.65 0.00 0.00 175.02 176.18 2wr5 s ASN 389 N 1.78 6.25 -0.59 1.11 3.04 -1.26 -5.03 114.94 120.23 2wr5 s ASN 389 Ca 0.67 0.09 0.04 0.00 0.04 0.00 0.00 52.86 53.70 2wr5 s ASN 389 Cb -0.35 -2.22 0.15 0.00 -1.54 0.00 0.00 41.25 37.29 2wr5 s ASN 389 CO 0.29 -0.29 0.38 0.42 -3.04 0.00 0.00 177.10 174.86 2wr5 s THR 390 N 2.13 2.43 0.67 -5.21 -4.23 -1.26 -5.04 115.64 105.13 2wr5 s THR 390 Ca 0.15 -3.65 -0.09 0.00 -1.18 0.00 0.00 61.69 56.92 2wr5 s THR 390 Cb -0.16 -2.64 0.15 0.00 1.34 0.00 0.00 72.50 71.19 2wr5 s THR 390 CO 0.11 -0.94 0.92 0.00 -0.54 0.00 0.00 174.62 174.17 2wr5 n GLN 391 N 2.58 -0.70 -3.19 3.99 10.64 -1.26 -4.73 117.38 124.71 2wr5 n GLN 391 Ca 0.14 -1.64 -0.39 0.00 -1.83 0.00 0.00 57.00 53.28 2wr5 n GLN 391 Cb 0.35 -0.88 -0.06 0.00 -0.86 0.00 0.00 30.24 28.79 2wr5 n GLN 391 CO 0.00 0.00 0.00 0.12 -1.83 0.00 0.00 177.06 175.35 2wr5 s PHE 392 N -2.91 3.49 0.15 2.61 5.36 -1.26 -4.26 117.98 121.16 2wr5 s PHE 392 Ca 0.54 0.98 -0.05 0.00 -0.96 0.00 0.00 56.93 57.45 2wr5 s PHE 392 Cb -0.02 -2.69 -0.03 0.00 -0.34 0.00 0.00 43.02 39.95 2wr5 s PHE 392 CO 0.37 0.04 0.17 -1.21 -1.46 0.00 0.00 175.22 173.13 2wr5 s GLU 393 N 1.06 1.06 0.00 10.12 8.01 -0.93 -4.97 118.70 133.05 2wr5 s GLU 393 Ca 0.30 -1.35 0.00 0.00 0.01 0.00 0.00 54.97 53.93 2wr5 s GLU 393 Cb -0.16 0.31 0.00 0.00 -4.31 0.00 0.00 34.13 29.97 2wr5 s GLU 393 CO 0.12 -0.35 0.25 0.00 0.01 0.00 0.00 175.26 175.30 2wr5 n ALA 394 N -0.17 2.12 -0.71 5.21 0.00 -1.26 -1.33 120.51 124.37 2wr5 n ALA 394 Ca -0.05 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2wr5 n ALA 394 Cb 0.64 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.09 2wr5 n ALA 394 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2wr5 n VAL 395 N -0.42 0.00 -1.67 0.00 0.31 -1.26 -4.65 118.33 110.64 2wr5 n VAL 395 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 64.34 63.91 2wr5 n VAL 395 Cb 0.01 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.94 2wr5 n VAL 395 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2wr5 n GLY 396 N 0.00 0.33 3.32 2.92 0.00 -1.26 -5.02 105.19 105.49 2wr5 n GLY 396 Ca 0.00 0.25 -0.18 0.00 0.00 0.00 0.00 46.02 46.09 2wr5 n GLY 396 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wr5 s LYS 397 N -1.97 1.54 -0.05 1.61 1.02 -1.26 -4.74 119.74 115.90 2wr5 s LYS 397 Ca 0.59 -1.87 0.04 0.00 0.02 0.00 0.00 55.97 54.75 2wr5 s LYS 397 Cb -0.56 -0.08 -0.00 0.00 -0.52 0.00 0.00 37.83 36.67 2wr5 s LYS 397 CO 0.60 -0.43 -0.17 -1.21 -0.92 0.00 0.00 175.35 173.22 2wr5 s GLU 398 N -3.86 1.84 -0.02 1.68 0.41 -1.26 -5.09 118.70 112.40 2wr5 s GLU 398 Ca 0.36 -0.61 -0.00 0.00 -0.41 0.00 0.00 54.97 54.31 2wr5 s GLU 398 Cb 0.05 -1.58 0.02 0.00 -1.78 0.00 0.00 34.13 30.84 2wr5 s GLU 398 CO 0.17 0.22 0.03 -0.06 -0.49 0.00 0.00 175.26 175.13 2wr5 s PHE 399 N 0.11 -0.00 1.01 1.61 0.08 -1.26 -4.99 117.98 114.54 2wr5 s PHE 399 Ca -0.06 0.11 -0.12 0.00 0.12 0.00 0.00 56.93 56.99 2wr5 s PHE 399 Cb -0.12 -0.12 0.20 0.00 -0.57 0.00 0.00 43.02 42.41 2wr5 s PHE 399 CO 0.03 -0.06 1.08 -1.54 -0.10 0.00 0.00 175.22 174.63 2wr5 s SER 400 N 0.60 2.29 0.00 1.36 1.04 -1.26 -4.89 113.70 112.83 2wr5 s SER 400 Ca -0.05 1.65 0.20 0.00 0.48 0.00 0.00 55.95 58.22 2wr5 s SER 400 Cb -0.07 -2.30 1.17 0.00 0.10 0.00 0.00 66.02 64.92 2wr5 s SER 400 CO -0.02 -3.41 1.60 -0.46 0.98 0.00 0.00 173.24 171.93 2wr5 n ASN 401 N -4.40 0.00 -0.68 7.02 6.94 -1.26 -1.45 115.26 121.43 2wr5 n ASN 401 Ca 0.06 -0.85 0.09 0.00 -0.02 0.00 0.00 54.58 53.86 2wr5 n ASN 401 Cb 0.54 0.00 0.22 0.00 -2.36 0.00 0.00 39.78 38.18 2wr5 n ASN 401 CO 0.00 0.00 0.00 0.18 -1.03 0.00 0.00 177.26 176.41 2wr5 n LEU 402 N -0.92 3.45 -0.88 -4.53 4.77 -1.26 -4.45 117.00 113.18 2wr5 n LEU 402 Ca 0.15 -2.96 0.00 0.00 -0.03 0.00 0.00 56.01 53.17 2wr5 n LEU 402 Cb 0.07 -0.49 0.18 0.00 -2.33 0.00 0.00 43.42 40.84 2wr5 n LEU 402 CO 0.11 0.68 0.36 -0.62 -1.33 0.00 0.00 177.39 176.59 2wr5 n GLU 403 N -0.66 1.95 -0.24 3.23 1.02 -0.53 -4.83 120.64 120.59 2wr5 n GLU 403 Ca 0.19 -3.45 0.08 0.00 -0.02 0.00 0.00 57.16 53.97 2wr5 n GLU 403 Cb 0.80 -1.75 0.34 0.00 -0.02 0.00 0.00 31.44 30.81 2wr5 n GLU 403 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wr5 h ARG 404 N 1.20 0.76 -0.09 3.49 -0.00 -1.78 -0.29 114.38 117.67 2wr5 h ARG 404 Ca 0.08 -0.05 -0.02 0.00 -0.50 0.00 0.00 59.98 59.49 2wr5 h ARG 404 Cb 1.13 -0.17 -0.00 0.00 0.00 0.00 0.00 29.97 30.93 2wr5 h ARG 404 CO 0.16 0.50 -0.03 0.00 0.00 0.00 0.00 179.97 180.60 2wr5 h ARG 405 N 0.78 0.19 -0.71 0.04 3.08 -1.96 -1.31 114.38 114.49 2wr5 h ARG 405 Ca 0.38 -0.07 0.05 0.00 0.07 0.00 0.00 59.98 60.40 2wr5 h ARG 405 Cb 0.41 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.40 2wr5 h ARG 405 CO -0.15 0.51 0.42 1.25 -1.07 0.00 0.00 179.97 180.94 2wr5 h LEU 406 N -0.15 0.66 -0.99 3.04 5.85 -1.71 0.42 115.31 122.43 2wr5 h LEU 406 Ca 0.02 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.72 2wr5 h LEU 406 Cb 0.45 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 2wr5 h LEU 406 CO 0.01 0.44 0.24 -0.08 -0.34 0.00 0.00 178.44 178.70 2wr5 h GLU 407 N 0.79 0.97 -0.24 1.25 4.81 -1.04 -1.60 114.58 119.52 2wr5 h GLU 407 Ca 0.30 -0.17 -0.14 0.00 -0.13 0.00 0.00 59.36 59.22 2wr5 h GLU 407 Cb 0.12 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 2wr5 h GLU 407 CO -0.15 0.81 -0.44 -0.97 -0.73 0.00 0.00 179.01 177.53 2wr5 h ASN 408 N 0.95 0.62 -0.36 1.04 -0.73 0.15 -1.09 115.58 116.16 2wr5 h ASN 408 Ca 0.22 -0.29 0.05 0.00 1.87 0.00 0.00 56.30 58.14 2wr5 h ASN 408 Cb 0.22 -0.18 -0.04 0.00 0.27 0.00 0.00 38.32 38.59 2wr5 h ASN 408 CO -0.02 0.98 0.10 0.25 -0.37 0.00 0.00 177.43 178.37 2wr5 h LEU 409 N 0.47 0.08 -0.99 0.34 6.46 0.15 0.11 115.31 121.93 2wr5 h LEU 409 Ca 0.03 0.05 0.01 0.00 -0.12 0.00 0.00 57.88 57.85 2wr5 h LEU 409 Cb 0.95 0.05 -0.05 0.00 -0.73 0.00 0.00 40.66 40.89 2wr5 h LEU 409 CO 0.09 0.08 0.64 -1.13 -0.62 0.00 0.00 178.44 177.50 2wr5 h ASN 410 N 0.24 1.14 -0.32 1.25 -0.73 -0.87 -0.58 115.58 115.72 2wr5 h ASN 410 Ca 0.17 -0.04 -0.15 0.00 1.87 0.00 0.00 56.30 58.15 2wr5 h ASN 410 Cb 0.17 -0.29 -0.00 0.00 0.27 0.00 0.00 38.32 38.47 2wr5 h ASN 410 CO -0.20 0.84 -0.38 0.50 -0.37 0.00 0.00 177.43 177.82 2wr5 h LYS 411 N 1.34 0.82 -0.36 6.67 3.64 -0.93 0.15 116.57 127.90 2wr5 h LYS 411 Ca 0.36 -0.45 -0.01 0.00 -1.27 0.00 0.00 60.65 59.28 2wr5 h LYS 411 Cb -0.14 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.69 2wr5 h LYS 411 CO -0.08 1.09 0.19 -0.22 -2.27 0.00 0.00 179.45 178.16 2wr5 h LYS 412 N 0.59 0.48 0.03 1.90 1.63 -0.34 0.83 116.57 121.69 2wr5 h LYS 412 Ca 0.04 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2wr5 h LYS 412 Cb 0.97 -0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.50 2wr5 h LYS 412 CO 0.09 0.36 -0.01 1.98 -3.45 0.00 0.00 179.45 178.42 2wr5 h MET 413 N 0.49 -0.04 -0.78 1.90 4.05 -0.73 -2.22 114.93 117.61 2wr5 h MET 413 Ca 0.13 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.53 2wr5 h MET 413 Cb 0.03 0.01 -0.04 0.00 -0.80 0.00 0.00 31.60 30.80 2wr5 h MET 413 CO -0.02 0.62 0.42 0.93 0.23 0.00 0.00 176.91 179.09 2wr5 h GLU 414 N -0.76 1.09 -0.38 0.39 4.39 -0.66 -1.98 114.58 116.67 2wr5 h GLU 414 Ca -0.00 -0.13 -0.07 0.00 0.34 0.00 0.00 59.36 59.50 2wr5 h GLU 414 Cb 0.68 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.10 2wr5 h GLU 414 CO 0.01 0.81 -0.06 -0.44 -1.16 0.00 0.00 179.01 178.16 2wr5 h ASP 415 N 1.09 0.60 -0.40 1.42 3.32 -0.92 -2.40 116.42 119.14 2wr5 h ASP 415 Ca 0.27 -0.15 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 2wr5 h ASP 415 Cb 0.04 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.42 2wr5 h ASP 415 CO -0.04 0.71 -0.07 1.23 -1.72 0.00 0.00 179.24 179.35 2wr5 h GLY 416 N 0.93 0.82 1.38 2.75 0.00 -0.71 -2.19 103.07 106.05 2wr5 h GLY 416 Ca 0.11 -0.65 -0.15 0.00 0.00 0.00 0.00 47.33 46.64 2wr5 h GLY 416 CO 0.02 0.60 -0.45 0.74 0.00 0.00 0.00 176.54 177.45 2wr5 h PHE 417 N 0.57 0.82 -0.68 5.60 -1.00 -1.48 -2.60 116.94 118.17 2wr5 h PHE 417 Ca 0.11 -0.26 0.11 0.00 2.81 0.00 0.00 57.97 60.74 2wr5 h PHE 417 Cb 0.58 -0.17 -0.08 0.00 3.61 0.00 0.00 35.95 39.89 2wr5 h PHE 417 CO 0.05 1.00 0.29 1.25 -1.61 0.00 0.00 178.31 179.28 2wr5 h LEU 418 N 0.54 0.31 -0.42 1.54 5.85 -1.28 0.14 115.31 121.99 2wr5 h LEU 418 Ca 0.04 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.78 2wr5 h LEU 418 Cb 0.99 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 42.04 2wr5 h LEU 418 CO 0.09 0.17 0.03 0.44 -0.34 0.00 0.00 178.44 178.83 2wr5 h ASP 419 N 0.48 0.71 0.23 1.25 3.32 -1.24 -1.14 116.42 120.03 2wr5 h ASP 419 Ca 0.35 -0.29 -0.01 0.00 0.02 0.00 0.00 57.03 57.10 2wr5 h ASP 419 Cb 0.44 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 39.80 2wr5 h ASP 419 CO -0.32 0.83 -0.11 0.58 -1.72 0.00 0.00 179.24 178.49 2wr5 h VAL 420 N 0.58 0.81 -0.51 -1.35 2.07 -1.04 -1.74 116.25 115.08 2wr5 h VAL 420 Ca 0.12 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.31 2wr5 h VAL 420 Cb 0.45 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 2wr5 h VAL 420 CO 0.02 0.06 0.09 -0.50 0.02 0.00 0.00 177.57 177.26 2wr5 h TRP 421 N -0.45 0.82 0.81 1.57 4.06 -0.73 -1.68 115.95 120.35 2wr5 h TRP 421 Ca -0.03 -0.08 -0.04 0.00 2.06 0.00 0.00 58.89 60.80 2wr5 h TRP 421 Cb 0.34 -0.24 0.01 0.00 -1.00 0.00 0.00 29.16 28.28 2wr5 h TRP 421 CO -0.02 0.71 -0.39 1.15 -3.56 0.00 0.00 178.44 176.32 2wr5 h THR 422 N 0.75 0.14 -0.69 1.49 2.02 -1.13 -1.25 112.91 114.25 2wr5 h THR 422 Ca 0.16 -0.09 0.14 0.00 0.77 0.00 0.00 66.41 67.39 2wr5 h THR 422 Cb 0.33 0.16 -0.10 0.00 -1.74 0.00 0.00 68.15 66.80 2wr5 h THR 422 CO 0.00 0.01 0.20 0.22 0.37 0.00 0.00 175.52 176.32 2wr5 h TYR 423 N -1.17 0.32 -0.25 3.16 3.20 -1.22 0.18 116.97 121.20 2wr5 h TYR 423 Ca -0.11 0.04 -0.08 0.00 3.14 0.00 0.00 58.73 61.72 2wr5 h TYR 423 Cb 0.85 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 39.08 2wr5 h TYR 423 CO -0.01 -0.02 -0.15 -0.91 -1.64 0.00 0.00 178.16 175.44 2wr5 h ASN 424 N 0.32 0.56 -0.29 -2.11 4.21 -1.27 -0.19 115.58 116.82 2wr5 h ASN 424 Ca 0.38 -0.43 -0.01 0.00 1.21 0.00 0.00 56.30 57.45 2wr5 h ASN 424 Cb 0.59 -0.16 -0.01 0.00 -1.12 0.00 0.00 38.32 37.62 2wr5 h ASN 424 CO -0.43 0.87 0.15 0.00 -1.29 0.00 0.00 177.43 176.72 2wr5 h ALA 425 N 0.71 0.37 -0.13 -0.83 0.00 -0.82 0.34 119.26 118.90 2wr5 h ALA 425 Ca 0.05 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.90 2wr5 h ALA 425 Cb 0.67 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2wr5 h ALA 425 CO 0.04 -0.09 -0.00 0.93 0.00 0.00 0.00 179.25 180.13 2wr5 h GLU 426 N 0.34 0.04 -0.47 0.00 4.39 -0.56 -2.36 114.58 115.96 2wr5 h GLU 426 Ca 0.10 -0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.68 2wr5 h GLU 426 Cb 0.09 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 2wr5 h GLU 426 CO -0.01 0.03 -0.19 -0.07 -1.16 0.00 0.00 179.01 177.61 2wr5 h LEU 427 N 0.04 0.95 -0.10 1.33 4.07 -0.94 -2.30 115.31 118.37 2wr5 h LEU 427 Ca 0.06 -0.34 0.04 0.00 0.08 0.00 0.00 57.88 57.72 2wr5 h LEU 427 Cb 0.07 -0.26 -0.06 0.00 1.08 0.00 0.00 40.66 41.49 2wr5 h LEU 427 CO -0.10 1.11 -0.38 0.25 -1.08 0.00 0.00 178.44 178.24 2wr5 h LEU 428 N 0.82 -1.18 -0.24 1.67 5.85 -0.14 0.12 115.31 122.21 2wr5 h LEU 428 Ca 0.11 0.16 0.03 0.00 0.84 0.00 0.00 57.88 59.03 2wr5 h LEU 428 Cb 0.74 0.48 -0.03 0.00 0.37 0.00 0.00 40.66 42.22 2wr5 h LEU 428 CO 0.06 -0.41 0.04 0.58 -0.34 0.00 0.00 178.44 178.37 2wr5 h VAL 429 N -0.48 0.88 -0.14 1.05 2.07 -1.39 0.23 116.25 118.48 2wr5 h VAL 429 Ca 0.08 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.59 2wr5 h VAL 429 Cb 0.60 0.74 -0.04 0.00 -1.52 0.00 0.00 31.29 31.07 2wr5 h VAL 429 CO -0.36 0.02 -0.10 -0.07 0.02 0.00 0.00 177.57 177.08 2wr5 h LEU 430 N 0.13 -0.33 0.23 2.57 3.38 -1.06 -0.63 115.31 119.60 2wr5 h LEU 430 Ca 0.11 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 2wr5 h LEU 430 Cb 0.11 0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2wr5 h LEU 430 CO -0.15 -0.14 -0.11 0.24 0.09 0.00 0.00 178.44 178.37 2wr5 h MET 431 N -0.11 -0.30 0.00 1.13 2.86 -0.47 -2.72 114.93 115.32 2wr5 h MET 431 Ca 0.09 0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 2wr5 h MET 431 Cb 0.24 0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 2wr5 h MET 431 CO -0.21 -0.03 -0.07 0.93 1.06 0.00 0.00 176.91 178.59 2wr5 h GLU 432 N -0.55 0.00 -0.20 1.72 4.39 -0.53 -1.73 114.58 117.67 2wr5 h GLU 432 Ca -0.03 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.55 2wr5 h GLU 432 Cb 0.41 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.06 2wr5 h GLU 432 CO 0.05 0.07 -0.34 -0.91 -1.16 0.00 0.00 179.01 176.72 2wr5 h ASN 433 N 0.00 0.65 -0.70 1.42 2.35 -1.07 -1.93 115.58 116.30 2wr5 h ASN 433 Ca -0.00 -0.53 0.04 0.00 -0.55 0.00 0.00 56.30 55.26 2wr5 h ASN 433 Cb 0.16 -0.19 -0.04 0.00 0.05 0.00 0.00 38.32 38.31 2wr5 h ASN 433 CO 0.01 1.06 0.46 -0.08 -1.65 0.00 0.00 177.43 177.23 2wr5 h GLU 434 N 0.27 0.80 0.00 0.81 4.81 -1.12 -2.31 114.58 117.83 2wr5 h GLU 434 Ca 0.01 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2wr5 h GLU 434 Cb 0.93 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.13 2wr5 h GLU 434 CO 0.08 0.53 -0.37 0.00 -0.73 0.00 0.00 179.01 178.51 2wr5 h ARG 435 N 0.82 0.00 0.10 1.92 3.08 -1.34 -2.88 114.38 116.07 2wr5 h ARG 435 Ca 0.28 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.14 2wr5 h ARG 435 Cb 0.10 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.17 2wr5 h ARG 435 CO -0.08 0.00 -0.81 1.15 -1.07 0.00 0.00 179.97 179.16 2wr5 h THR 436 N 0.00 1.45 -0.50 2.04 2.02 -0.82 -2.68 112.91 114.43 2wr5 h THR 436 Ca 0.00 -2.38 -0.03 0.00 0.77 0.00 0.00 66.41 64.76 2wr5 h THR 436 Cb 0.86 2.95 -0.02 0.00 -1.74 0.00 0.00 68.15 70.19 2wr5 h THR 436 CO 0.00 0.69 0.19 -0.07 0.37 0.00 0.00 175.52 176.69 2wr5 h LEU 437 N -0.20 0.70 -2.19 2.58 3.38 -1.49 -1.38 115.31 116.71 2wr5 h LEU 437 Ca -0.13 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2wr5 h LEU 437 Cb 1.58 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 2wr5 h LEU 437 CO 0.15 0.69 -0.06 0.44 0.09 0.00 0.00 178.44 179.75 2wr5 h ASP 438 N 0.66 0.00 0.08 -0.43 3.32 -1.59 0.16 116.42 118.63 2wr5 h ASP 438 Ca 0.16 0.00 -0.00 0.00 0.02 0.00 0.00 57.03 57.21 2wr5 h ASP 438 Cb 0.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.77 2wr5 h ASP 438 CO -0.01 0.06 -0.04 0.15 -1.72 0.00 0.00 179.24 177.68 2wr5 h PHE 439 N 0.00 -0.11 -0.50 4.55 3.57 -0.92 -0.92 116.94 122.62 2wr5 h PHE 439 Ca -0.00 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.51 2wr5 h PHE 439 Cb 0.22 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 2wr5 h PHE 439 CO 0.00 0.39 0.31 0.45 -2.23 0.00 0.00 178.31 177.24 2wr5 h HIS 440 N -0.68 0.59 -0.77 0.41 3.86 -0.88 -0.46 115.15 117.22 2wr5 h HIS 440 Ca -0.01 0.02 0.07 0.00 -1.16 0.00 0.00 60.37 59.29 2wr5 h HIS 440 Cb 0.55 -0.19 -0.05 0.00 1.06 0.00 0.00 27.41 28.77 2wr5 h HIS 440 CO 0.10 0.35 0.50 0.22 0.86 0.00 0.00 177.93 179.96 2wr5 h ASP 441 N 0.63 0.69 -0.12 2.45 -0.00 -0.65 -1.73 116.42 117.68 2wr5 h ASP 441 Ca 0.19 0.01 -0.23 0.00 -0.00 0.00 0.00 57.03 57.00 2wr5 h ASP 441 Cb -0.02 -0.14 0.01 0.00 -0.00 0.00 0.00 39.33 39.19 2wr5 h ASP 441 CO -0.07 0.43 -0.84 -1.28 -0.00 0.00 0.00 179.24 177.49 2wr5 h SER 442 N 0.78 0.94 -0.64 2.28 0.87 -0.54 -2.26 113.55 114.99 2wr5 h SER 442 Ca 0.34 -0.65 -0.01 0.00 -1.23 0.00 0.00 61.79 60.23 2wr5 h SER 442 Cb 0.31 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 61.96 2wr5 h SER 442 CO -0.12 1.45 0.36 0.78 -0.53 0.00 0.00 176.83 178.77 2wr5 h ASN 443 N 0.51 0.80 -0.04 6.23 2.35 -0.26 -0.57 115.58 124.60 2wr5 h ASN 443 Ca -0.07 -0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.59 2wr5 h ASN 443 Cb 1.47 -0.20 0.00 0.00 0.05 0.00 0.00 38.32 39.64 2wr5 h ASN 443 CO 0.17 0.65 -0.08 0.58 -1.65 0.00 0.00 177.43 177.10 2wr5 h VAL 444 N 0.91 1.42 -0.75 2.81 2.07 -1.37 -2.45 116.25 118.89 2wr5 h VAL 444 Ca 0.23 -1.36 0.15 0.00 0.82 0.00 0.00 66.70 66.53 2wr5 h VAL 444 Cb 0.02 2.23 -0.05 0.00 -1.52 0.00 0.00 31.29 31.97 2wr5 h VAL 444 CO -0.04 0.37 0.50 0.50 0.02 0.00 0.00 177.57 178.92 2wr5 h LYS 445 N -0.38 0.41 0.03 1.57 1.63 -1.11 -1.97 116.57 116.75 2wr5 h LYS 445 Ca 0.00 -0.02 -0.23 0.00 -0.85 0.00 0.00 60.65 59.55 2wr5 h LYS 445 Cb 0.64 -0.09 -0.02 0.00 -0.60 0.00 0.00 32.23 32.16 2wr5 h LYS 445 CO 0.02 0.27 -1.05 -0.91 -3.45 0.00 0.00 179.45 174.32 2wr5 h ASN 446 N 0.42 0.12 0.69 4.20 2.35 -1.07 -2.01 115.58 120.27 2wr5 h ASN 446 Ca 0.37 -0.12 -0.03 0.00 -0.55 0.00 0.00 56.30 55.96 2wr5 h ASN 446 Cb 0.83 -0.04 0.01 0.00 0.05 0.00 0.00 38.32 39.17 2wr5 h ASN 446 CO -0.12 1.09 -0.33 0.25 -1.65 0.00 0.00 177.43 176.67 2wr5 h LEU 447 N 0.02 -0.78 -0.80 1.61 5.85 -0.91 0.14 115.31 120.44 2wr5 h LEU 447 Ca -0.04 -0.00 0.18 0.00 0.84 0.00 0.00 57.88 58.86 2wr5 h LEU 447 Cb 1.81 0.20 -0.12 0.00 0.37 0.00 0.00 40.66 42.92 2wr5 h LEU 447 CO 0.15 -0.48 0.23 0.22 -0.34 0.00 0.00 178.44 178.22 2wr5 h TYR 448 N -1.06 0.36 -0.03 1.25 3.20 -1.42 0.77 116.97 120.03 2wr5 h TYR 448 Ca -0.09 0.04 -0.10 0.00 3.14 0.00 0.00 58.73 61.72 2wr5 h TYR 448 Cb 0.74 -0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.96 2wr5 h TYR 448 CO -0.01 -0.09 -0.45 -0.44 -1.64 0.00 0.00 178.16 175.53 2wr5 h ASP 449 N 0.29 0.08 1.11 -2.11 3.32 -1.20 -1.65 116.42 116.26 2wr5 h ASP 449 Ca 0.47 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.43 2wr5 h ASP 449 Cb 0.84 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.36 2wr5 h ASP 449 CO -0.54 0.52 -0.25 0.50 -1.72 0.00 0.00 179.24 177.76 2wr5 h LYS 450 N 0.06 0.00 0.01 3.56 3.64 0.12 -1.08 116.57 122.88 2wr5 h LYS 450 Ca 0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 2wr5 h LYS 450 Cb 0.82 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 2wr5 h LYS 450 CO 0.06 0.25 -0.47 0.28 -2.27 0.00 0.00 179.45 177.30 2wr5 h VAL 451 N 0.00 1.48 -0.70 2.00 2.07 -1.12 -3.29 116.25 116.69 2wr5 h VAL 451 Ca -0.00 -2.30 0.12 0.00 0.82 0.00 0.00 66.70 65.33 2wr5 h VAL 451 Cb 0.86 2.99 -0.08 0.00 -1.52 0.00 0.00 31.29 33.54 2wr5 h VAL 451 CO 0.03 0.52 0.29 -0.09 0.02 0.00 0.00 177.57 178.34 2wr5 h ARG 452 N -0.96 0.45 0.00 1.57 2.43 -1.25 0.20 114.38 116.82 2wr5 h ARG 452 Ca -0.13 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2wr5 h ARG 452 Cb 1.14 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.59 2wr5 h ARG 452 CO -0.06 0.30 0.00 -1.33 -1.51 0.00 0.00 179.97 177.37 2wr5 n MET 453 N -4.97 0.61 -0.07 0.20 2.81 -0.42 -2.39 117.12 112.88 2wr5 n MET 453 Ca 0.12 0.00 -0.09 0.00 -1.81 0.00 0.00 57.70 55.92 2wr5 n MET 453 Cb 0.34 -1.50 -0.09 0.00 -0.71 0.00 0.00 33.22 31.26 2wr5 n MET 453 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 2wr5 n GLN 454 N -1.01 1.10 0.00 0.03 7.27 -0.01 -4.85 117.38 119.91 2wr5 n GLN 454 Ca 0.15 0.05 0.00 0.00 0.07 0.00 0.00 57.00 57.26 2wr5 n GLN 454 Cb 0.07 -1.33 0.00 0.00 2.41 0.00 0.00 30.24 31.39 2wr5 n GLN 454 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 2wr5 n LEU 455 N -2.75 0.44 0.00 1.69 4.77 -0.78 -4.71 117.00 115.66 2wr5 n LEU 455 Ca -0.26 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 2wr5 n LEU 455 Cb 0.86 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.95 2wr5 n LEU 455 CO 0.22 0.00 0.00 0.54 -1.33 0.00 0.00 177.39 176.82 2wr5 n ARG 456 N -0.25 0.00 -0.35 3.23 1.74 -1.01 -4.10 116.66 115.93 2wr5 n ARG 456 Ca 0.00 0.00 0.32 0.00 -0.77 0.00 0.00 57.85 57.40 2wr5 n ARG 456 Cb 0.00 0.00 0.58 0.00 -1.02 0.00 0.00 32.46 32.02 2wr5 n ARG 456 CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 2wr5 h ASP 457 N 0.00 0.34 0.14 0.55 3.45 -1.96 -1.01 116.42 117.93 2wr5 h ASP 457 Ca 0.00 0.23 0.00 0.00 0.43 0.00 0.00 57.03 57.69 2wr5 h ASP 457 Cb 0.00 0.22 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 2wr5 h ASP 457 CO 0.00 -0.35 0.00 0.59 -1.57 0.00 0.00 179.24 177.91 2wr5 n ASN 458 N -5.13 0.00 -3.75 6.45 4.13 -1.26 -4.81 115.26 110.89 2wr5 n ASN 458 Ca 0.37 -0.30 -0.10 0.00 1.68 0.00 0.00 54.58 56.23 2wr5 n ASN 458 Cb 1.27 -0.12 -0.05 0.00 -1.54 0.00 0.00 39.78 39.33 2wr5 n ASN 458 CO 0.00 0.00 0.00 0.68 0.28 0.00 0.00 177.26 178.22 2wr5 s VAL 459 N -2.25 0.07 -0.18 2.41 -7.23 -0.38 -2.04 120.40 110.80 2wr5 s VAL 459 Ca 0.22 -0.86 -0.03 0.00 -1.81 0.00 0.00 61.98 59.50 2wr5 s VAL 459 Cb 0.12 -1.42 -0.01 0.00 0.56 0.00 0.00 36.38 35.63 2wr5 s VAL 459 CO 0.23 -0.31 -0.06 -0.75 -0.31 0.00 0.00 175.10 173.90 2wr5 s LYS 460 N -3.86 3.46 -0.47 4.82 2.20 0.51 -4.74 119.74 121.66 2wr5 s LYS 460 Ca 0.07 -0.61 -0.28 0.00 -0.36 0.00 0.00 55.97 54.79 2wr5 s LYS 460 Cb 0.02 -2.89 -0.00 0.00 -1.51 0.00 0.00 37.83 33.44 2wr5 s LYS 460 CO -0.07 0.02 1.59 -1.21 -0.36 0.00 0.00 175.35 175.31 2wr5 s GLU 461 N 0.91 3.27 0.01 4.03 2.02 -1.26 -0.96 118.70 126.73 2wr5 s GLU 461 Ca -0.01 0.87 -0.19 0.00 0.02 0.00 0.00 54.97 55.67 2wr5 s GLU 461 Cb -0.15 -4.16 -0.10 0.00 0.10 0.00 0.00 34.13 29.82 2wr5 s GLU 461 CO 0.01 -1.94 0.99 -0.07 0.02 0.00 0.00 175.26 174.26 2wr5 h LEU 462 N 13.55 -0.57 0.00 1.80 -0.00 -1.78 -3.49 115.31 124.82 2wr5 h LEU 462 Ca -0.29 0.02 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 2wr5 h LEU 462 Cb 1.13 0.15 0.00 0.00 -0.00 0.00 0.00 40.66 41.94 2wr5 h LEU 462 CO 1.12 -0.31 0.00 0.61 -0.00 0.00 0.00 178.44 179.86 2wr5 n GLY 463 N -0.51 2.82 1.32 0.83 0.00 -1.26 -4.98 105.19 103.40 2wr5 n GLY 463 Ca -0.08 -0.35 -0.03 0.00 0.00 0.00 0.00 46.02 45.55 2wr5 n GLY 463 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2wr5 n ASN 464 N 0.00 3.23 0.00 1.61 6.94 -1.26 -4.74 115.26 121.03 2wr5 n ASN 464 Ca 0.00 -2.55 0.00 0.00 -0.02 0.00 0.00 54.58 52.01 2wr5 n ASN 464 Cb 0.00 -0.61 0.00 0.00 -2.36 0.00 0.00 39.78 36.81 2wr5 n ASN 464 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wr5 n GLY 465 N 0.05 1.01 3.66 4.83 0.00 -1.25 -4.60 105.19 108.89 2wr5 n GLY 465 Ca 0.19 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.97 2wr5 n GLY 465 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wr5 s PHE 467 N -2.10 2.46 -0.26 0.00 0.40 -1.00 -1.96 117.98 115.52 2wr5 s PHE 467 Ca 0.30 -1.14 -0.12 0.00 -0.60 0.00 0.00 56.93 55.36 2wr5 s PHE 467 Cb -0.07 -1.68 -0.05 0.00 0.51 0.00 0.00 43.02 41.73 2wr5 s PHE 467 CO 0.20 -0.51 0.25 -2.00 0.70 0.00 0.00 175.22 173.85 2wr5 s GLU 468 N 0.68 4.03 0.23 0.44 2.12 -0.13 -2.47 118.70 123.59 2wr5 s GLU 468 Ca -0.11 -0.16 -0.30 0.00 0.36 0.00 0.00 54.97 54.76 2wr5 s GLU 468 Cb -0.16 -3.61 -0.09 0.00 0.26 0.00 0.00 34.13 30.53 2wr5 s GLU 468 CO 0.02 -0.12 1.07 -0.06 -0.54 0.00 0.00 175.26 175.63 2wr5 s PHE 469 N 1.58 3.67 -0.73 5.30 0.40 -1.26 -0.36 117.98 126.58 2wr5 s PHE 469 Ca 0.10 1.71 0.04 0.00 -0.60 0.00 0.00 56.93 58.18 2wr5 s PHE 469 Cb -0.15 -3.22 0.25 0.00 0.51 0.00 0.00 43.02 40.41 2wr5 s PHE 469 CO 0.09 -0.36 0.90 0.66 0.70 0.00 0.00 175.22 177.21 2wr5 n TYR 470 N 1.76 0.65 -3.88 0.36 0.53 -0.86 -4.90 117.16 110.82 2wr5 n TYR 470 Ca 0.00 -0.26 -0.03 0.00 -1.02 0.00 0.00 57.90 56.59 2wr5 n TYR 470 Cb 0.46 -0.24 0.02 0.00 -1.03 0.00 0.00 39.34 38.54 2wr5 n TYR 470 CO 0.00 0.00 0.00 -3.38 -1.02 0.00 0.00 176.86 172.46 2wr5 s HIS 471 N -1.50 0.06 0.56 -0.72 -3.43 -1.26 -4.46 115.29 104.54 2wr5 s HIS 471 Ca 0.17 -0.43 -0.19 0.00 -0.80 0.00 0.00 55.06 53.80 2wr5 s HIS 471 Cb 0.13 0.69 -0.05 0.00 -1.43 0.00 0.00 32.58 31.92 2wr5 s HIS 471 CO 0.05 -0.87 1.17 -1.59 -2.00 0.00 0.00 174.74 171.50 2wr5 s LYS 472 N -2.20 3.19 -0.35 -0.38 0.00 -1.26 -4.92 119.74 113.82 2wr5 s LYS 472 Ca 0.22 1.73 0.06 0.00 0.00 0.00 0.00 55.97 57.98 2wr5 s LYS 472 Cb -0.02 -1.99 0.18 0.00 0.00 0.00 0.00 37.83 36.00 2wr5 s LYS 472 CO 0.05 -1.01 0.57 0.00 0.00 0.00 0.00 175.35 174.96 2wr5 n ASP 474 N 4.89 -0.67 -0.13 0.00 5.75 -1.26 -4.78 116.55 120.35 2wr5 n ASP 474 Ca 0.08 -0.40 -0.11 0.00 -0.01 0.00 0.00 54.79 54.35 2wr5 n ASP 474 Cb 0.54 0.00 -0.02 0.00 -1.03 0.00 0.00 41.12 40.61 2wr5 n ASP 474 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2wr5 h ASP 475 N -0.67 0.68 0.01 -1.12 5.19 -2.01 -2.37 116.42 116.13 2wr5 h ASP 475 Ca 0.00 -0.32 0.00 0.00 -0.62 0.00 0.00 57.03 56.09 2wr5 h ASP 475 Cb 0.00 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 39.33 2wr5 h ASP 475 CO 0.00 0.84 0.00 -0.62 -3.12 0.00 0.00 179.24 176.34 2wr5 n GLU 476 N -4.44 0.63 0.02 3.56 -0.58 -1.26 -1.52 120.64 117.05 2wr5 n GLU 476 Ca -0.01 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.57 2wr5 n GLU 476 Cb 0.30 -1.50 -0.14 0.00 -0.57 0.00 0.00 31.44 29.53 2wr5 n GLU 476 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2wr5 h MET 478 N 0.05 -0.03 0.00 0.00 2.86 -1.16 -3.18 114.93 113.48 2wr5 h MET 478 Ca -0.32 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.32 2wr5 h MET 478 Cb 2.02 0.01 0.00 0.00 0.06 0.00 0.00 31.60 33.69 2wr5 h MET 478 CO 0.12 0.59 0.00 0.09 1.06 0.00 0.00 176.91 178.76 2wr5 n ASN 479 N -4.80 0.00 -0.07 1.22 3.02 -0.60 -0.01 115.26 114.02 2wr5 n ASN 479 Ca -0.09 0.00 -0.07 0.00 -0.03 0.00 0.00 54.58 54.39 2wr5 n ASN 479 Cb 0.31 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.36 2wr5 n ASN 479 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2wr5 n SER 480 N -0.89 1.26 -0.04 6.41 3.41 -1.20 -4.17 113.62 118.40 2wr5 n SER 480 Ca 0.00 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.50 2wr5 n SER 480 Cb 0.00 0.91 -0.10 0.00 -0.26 0.00 0.00 64.21 64.76 2wr5 n SER 480 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2wr5 h VAL 481 N 0.00 1.28 -0.64 -3.33 2.07 -0.43 0.16 116.25 115.36 2wr5 h VAL 481 Ca -0.40 -1.78 0.13 0.00 0.82 0.00 0.00 66.70 65.48 2wr5 h VAL 481 Cb 1.89 2.34 -0.10 0.00 -1.52 0.00 0.00 31.29 33.90 2wr5 h VAL 481 CO 0.02 0.40 0.09 0.11 0.02 0.00 0.00 177.57 178.22 2wr5 h LYS 482 N -0.92 0.20 -0.08 1.57 1.57 -1.39 -1.11 116.57 116.40 2wr5 h LYS 482 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 2wr5 h LYS 482 Cb 0.69 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2wr5 h LYS 482 CO 0.01 0.13 0.00 0.27 -0.57 0.00 0.00 179.45 179.29 2wr5 n ASN 483 N -5.20 0.63 0.00 0.86 6.94 -1.26 -4.88 115.26 112.36 2wr5 n ASN 483 Ca 0.10 -1.67 0.00 0.00 -0.02 0.00 0.00 54.58 53.00 2wr5 n ASN 483 Cb 0.37 -0.05 0.00 0.00 -2.36 0.00 0.00 39.78 37.74 2wr5 n ASN 483 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wr5 n GLY 484 N 0.85 0.77 2.74 4.83 0.00 -0.42 -4.97 105.19 108.98 2wr5 n GLY 484 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.79 2wr5 n GLY 484 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wr5 n THR 485 N -2.36 4.13 -4.54 2.61 -2.24 0.53 -4.99 114.28 107.42 2wr5 n THR 485 Ca 0.00 -5.66 -0.33 0.00 -2.27 0.00 0.00 64.05 55.79 2wr5 n THR 485 Cb 0.00 -1.89 -0.14 0.00 -2.10 0.00 0.00 70.33 66.20 2wr5 n THR 485 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2wr5 s TYR 486 N -3.06 2.88 -0.45 4.78 5.04 -0.99 -4.51 117.35 121.03 2wr5 s TYR 486 Ca 0.38 -0.65 -0.12 0.00 -2.44 0.00 0.00 57.07 54.25 2wr5 s TYR 486 Cb 0.14 -1.91 0.08 0.00 0.35 0.00 0.00 41.96 40.62 2wr5 s TYR 486 CO -0.01 -0.25 0.32 0.16 -1.34 0.00 0.00 175.55 174.44 2wr5 s ASP 487 N 0.56 5.84 0.19 4.32 3.84 -1.26 -4.98 116.67 125.17 2wr5 s ASP 487 Ca -0.06 -1.48 -0.20 0.00 -0.00 0.00 0.00 52.55 50.80 2wr5 s ASP 487 Cb -0.15 -2.07 0.13 0.00 -1.38 0.00 0.00 42.92 39.45 2wr5 s ASP 487 CO 0.03 -0.60 1.60 0.22 -0.00 0.00 0.00 175.17 176.42 2wr5 h TYR 488 N 8.55 -0.82 -1.00 2.11 3.20 -1.96 -2.84 116.97 124.21 2wr5 h TYR 488 Ca -0.25 0.07 0.25 0.00 3.14 0.00 0.00 58.73 61.93 2wr5 h TYR 488 Cb 1.09 0.44 -0.08 0.00 1.54 0.00 0.00 36.73 39.72 2wr5 h TYR 488 CO 0.63 -0.36 0.66 -1.35 -1.64 0.00 0.00 178.16 176.09 2wr5 h PRO 489 N -0.16 0.37 0.00 1.82 0.11 -1.99 -1.93 132.00 130.23 2wr5 h PRO 489 Ca 0.23 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.31 2wr5 h PRO 489 Cb 0.53 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.56 2wr5 h PRO 489 CO -0.64 0.24 -0.04 -0.22 -0.21 0.00 0.00 178.00 177.13 2wr5 h LYS 490 N 0.38 0.00 -3.40 1.05 3.64 -1.95 -3.37 116.57 112.92 2wr5 h LYS 490 Ca 0.55 0.00 -0.66 0.00 -1.27 0.00 0.00 60.65 59.27 2wr5 h LYS 490 Cb 1.43 0.00 -0.39 0.00 -0.41 0.00 0.00 32.23 32.85 2wr5 h LYS 490 CO -0.23 0.04 -0.52 0.71 -2.27 0.00 0.00 179.45 177.18 2wr5 s TYR 491 N -4.02 3.32 -0.73 1.91 2.02 -0.72 -4.96 117.35 114.15 2wr5 s TYR 491 Ca -0.02 -3.05 0.02 0.00 -0.37 0.00 0.00 57.07 53.64 2wr5 s TYR 491 Cb 0.12 -2.94 0.35 0.00 -0.40 0.00 0.00 41.96 39.09 2wr5 s TYR 491 CO 0.51 -0.75 1.42 0.39 -1.57 0.00 0.00 175.55 175.55 2wr5 n GLU 492 N 3.06 3.88 -3.72 -0.62 -0.58 -1.26 -4.94 120.64 116.45 2wr5 n GLU 492 Ca 0.08 -4.53 -0.37 0.00 -0.42 0.00 0.00 57.16 51.92 2wr5 n GLU 492 Cb 0.34 -2.32 -0.12 0.00 -0.57 0.00 0.00 31.44 28.77 2wr5 n GLU 492 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2wr5 s GLU 493 N -3.85 3.48 -0.85 3.49 2.02 -1.26 -5.05 118.70 116.69 2wr5 s GLU 493 Ca 0.46 -0.60 0.00 0.00 0.02 0.00 0.00 54.97 54.85 2wr5 s GLU 493 Cb 0.30 -3.41 0.23 0.00 0.10 0.00 0.00 34.13 31.35 2wr5 s GLU 493 CO -0.19 -0.29 0.83 0.39 0.02 0.00 0.00 175.26 176.02 2wr5 n GLU 494 N 4.93 2.74 -0.55 1.61 1.02 -1.26 -4.80 120.64 124.34 2wr5 n GLU 494 Ca -0.15 -4.53 -0.13 0.00 -0.02 0.00 0.00 57.16 52.33 2wr5 n GLU 494 Cb 0.50 -2.38 -0.04 0.00 -0.02 0.00 0.00 31.44 29.50 2wr5 n GLU 494 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 2wr5 n SER 495 N 1.87 3.41 0.00 1.62 7.64 -1.26 -5.21 113.62 121.68 2wr5 n SER 495 Ca 0.24 -2.14 0.00 0.00 1.01 0.00 0.00 58.87 57.97 2wr5 n SER 495 Cb 0.37 -0.86 0.00 0.00 -1.01 0.00 0.00 64.21 62.71 2wr5 n SER 495 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32