#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f54 s GLN 1 N 0.00 3.76 -0.12 1.97 2.00 -1.26 -4.71 119.66 121.30 2f54 s GLN 1 Ca 0.00 0.18 -0.03 0.00 -2.00 0.00 0.00 55.36 53.51 2f54 s GLN 1 Cb 0.00 -2.70 0.05 0.00 0.80 0.00 0.00 33.01 31.16 2f54 s GLN 1 CO 0.00 0.35 0.06 -0.65 -0.50 0.00 0.00 175.29 174.56 2f54 s GLN 2 N -2.78 0.17 -0.18 1.67 -0.21 -1.26 -4.99 119.66 112.07 2f54 s GLN 2 Ca 0.46 0.04 -0.09 0.00 0.02 0.00 0.00 55.36 55.79 2f54 s GLN 2 Cb -0.11 -1.35 -0.05 0.00 1.00 0.00 0.00 33.01 32.50 2f54 s GLN 2 CO 0.22 -0.51 0.11 0.08 -2.12 0.00 0.00 175.29 173.07 2f54 s VAL 3 N 2.09 5.24 -0.05 1.09 1.01 -1.26 -2.39 120.40 126.13 2f54 s VAL 3 Ca 0.03 0.13 0.02 0.00 0.00 0.00 0.00 61.98 62.15 2f54 s VAL 3 Cb -0.14 -3.37 0.02 0.00 0.00 0.00 0.00 36.38 32.89 2f54 s VAL 3 CO -0.07 0.47 -0.09 -0.89 0.00 0.00 0.00 175.10 174.53 2f54 s THR 4 N 0.14 0.86 -0.33 3.92 2.01 0.94 -4.40 115.64 118.78 2f54 s THR 4 Ca 0.08 -0.32 0.03 0.00 0.31 0.00 0.00 61.69 61.79 2f54 s THR 4 Cb -0.11 -0.81 0.09 0.00 0.01 0.00 0.00 72.50 71.68 2f54 s THR 4 CO -0.01 0.29 0.03 -1.10 -0.69 0.00 0.00 174.62 173.15 2f54 s GLN 5 N 0.72 1.68 -0.04 4.92 -0.21 -1.26 -0.67 119.66 124.81 2f54 s GLN 5 Ca -0.13 -1.76 0.02 0.00 0.02 0.00 0.00 55.36 53.51 2f54 s GLN 5 Cb -0.15 -3.18 0.01 0.00 1.00 0.00 0.00 33.01 30.69 2f54 s GLN 5 CO 0.02 -0.88 -0.08 0.42 -2.12 0.00 0.00 175.29 172.66 2f54 s ILE 6 N 0.96 0.75 0.58 1.08 1.01 -1.26 -3.75 121.20 120.57 2f54 s ILE 6 Ca 0.07 -0.30 -0.19 0.00 0.00 0.00 0.00 60.65 60.23 2f54 s ILE 6 Cb -0.19 -0.70 -0.04 0.00 0.01 0.00 0.00 42.46 41.53 2f54 s ILE 6 CO -0.07 0.25 1.17 -2.16 0.00 0.00 0.00 174.94 174.13 2f54 s PRO 7 N 0.49 3.10 0.22 2.79 0.04 -1.26 -4.50 135.00 135.88 2f54 s PRO 7 Ca -0.08 1.70 0.25 0.00 0.04 0.00 0.00 61.00 62.91 2f54 s PRO 7 Cb -0.12 -1.96 0.68 0.00 0.04 0.00 0.00 34.50 33.15 2f54 s PRO 7 CO 0.01 -1.07 1.69 0.00 0.04 0.00 0.00 177.00 177.66 2f54 h ALA 8 N 0.92 0.94 -3.49 8.56 0.00 -1.83 -3.44 119.26 120.92 2f54 h ALA 8 Ca -0.50 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.20 2f54 h ALA 8 Cb 1.28 0.00 -0.28 0.00 0.00 0.00 0.00 17.79 18.79 2f54 h ALA 8 CO 0.56 0.00 -0.61 0.00 0.00 0.00 0.00 179.25 179.19 2f54 s ALA 9 N -3.12 -0.22 -0.04 0.00 0.00 -1.26 0.65 121.76 117.76 2f54 s ALA 9 Ca 0.09 0.29 -0.01 0.00 0.00 0.00 0.00 51.96 52.33 2f54 s ALA 9 Cb 0.12 -0.17 0.03 0.00 0.00 0.00 0.00 23.12 23.09 2f54 s ALA 9 CO 0.62 -0.05 0.03 -1.17 0.00 0.00 0.00 175.76 175.19 2f54 s LEU 10 N 0.13 0.58 -0.30 0.00 2.96 -0.05 -4.90 118.68 117.10 2f54 s LEU 10 Ca -0.01 0.02 0.02 0.00 -0.22 0.00 0.00 54.13 53.94 2f54 s LEU 10 Cb -0.02 -0.21 0.07 0.00 0.50 0.00 0.00 46.19 46.53 2f54 s LEU 10 CO -0.00 -0.19 -0.02 -0.55 -1.32 0.00 0.00 176.35 174.27 2f54 s SER 11 N 1.73 4.70 0.09 3.68 0.15 -1.26 -1.73 113.70 121.06 2f54 s SER 11 Ca -0.00 -1.58 0.03 0.00 0.70 0.00 0.00 55.95 55.09 2f54 s SER 11 Cb -0.13 -1.63 -0.04 0.00 -1.71 0.00 0.00 66.02 62.52 2f54 s SER 11 CO -0.03 -0.28 -0.09 0.68 1.20 0.00 0.00 173.24 174.72 2f54 s VAL 12 N 1.10 0.80 0.44 4.45 -7.23 -0.95 -5.02 120.40 113.99 2f54 s VAL 12 Ca -0.02 -1.62 -0.21 0.00 -1.81 0.00 0.00 61.98 58.32 2f54 s VAL 12 Cb -0.20 -1.31 -0.10 0.00 0.56 0.00 0.00 36.38 35.33 2f54 s VAL 12 CO -0.05 -0.61 0.98 -2.16 -0.31 0.00 0.00 175.10 172.96 2f54 s PRO 13 N -2.84 4.10 0.46 4.82 0.04 -1.26 -0.62 135.00 139.69 2f54 s PRO 13 Ca 0.04 1.22 -0.24 0.00 0.04 0.00 0.00 61.00 62.07 2f54 s PRO 13 Cb -0.02 -2.19 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 2f54 s PRO 13 CO -0.01 -0.15 1.27 -1.83 0.04 0.00 0.00 177.00 176.31 2f54 s GLU 14 N -3.12 3.70 0.00 4.56 -1.05 0.16 -2.88 118.70 120.06 2f54 s GLU 14 Ca 0.63 2.05 0.00 0.00 -0.15 0.00 0.00 54.97 57.50 2f54 s GLU 14 Cb -0.12 -2.52 0.00 0.00 -0.44 0.00 0.00 34.13 31.05 2f54 s GLU 14 CO 0.16 -0.68 0.00 0.41 0.95 0.00 0.00 175.26 176.10 2f54 n GLY 15 N 0.61 2.24 3.77 -3.83 0.00 0.61 -4.79 105.19 103.79 2f54 n GLY 15 Ca 0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.69 2f54 n GLY 15 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2f54 s GLU 16 N -0.14 4.37 0.05 1.61 2.02 -1.14 -4.07 118.70 121.40 2f54 s GLU 16 Ca 0.00 1.79 -0.28 0.00 0.02 0.00 0.00 54.97 56.50 2f54 s GLU 16 Cb 0.00 -2.92 -0.05 0.00 0.10 0.00 0.00 34.13 31.26 2f54 s GLU 16 CO 0.00 -0.03 0.90 -0.80 0.02 0.00 0.00 175.26 175.35 2f54 s ASN 17 N -1.05 7.35 0.13 -0.19 0.01 -1.26 -1.53 114.94 118.40 2f54 s ASN 17 Ca 0.51 1.63 0.04 0.00 -0.71 0.00 0.00 52.86 54.32 2f54 s ASN 17 Cb -0.30 -2.54 -0.04 0.00 0.41 0.00 0.00 41.25 38.77 2f54 s ASN 17 CO 0.39 -0.11 -0.10 -1.48 -1.51 0.00 0.00 177.10 174.29 2f54 s LEU 18 N 0.36 2.50 -0.16 0.60 0.05 -0.88 -4.99 118.68 116.16 2f54 s LEU 18 Ca 0.46 -0.96 0.01 0.00 0.05 0.00 0.00 54.13 53.68 2f54 s LEU 18 Cb -0.22 -0.32 0.02 0.00 -2.05 0.00 0.00 46.19 43.63 2f54 s LEU 18 CO 0.27 -0.32 -0.19 -0.69 -0.55 0.00 0.00 176.35 174.87 2f54 s VAL 19 N -3.13 1.92 -0.07 1.48 1.01 -1.26 -1.56 120.40 118.79 2f54 s VAL 19 Ca 0.14 -0.86 -0.02 0.00 0.00 0.00 0.00 61.98 61.24 2f54 s VAL 19 Cb 0.01 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.62 2f54 s VAL 19 CO -0.00 0.52 0.05 -0.76 0.00 0.00 0.00 175.10 174.90 2f54 s LEU 20 N 1.26 3.81 0.22 3.92 1.43 0.12 -4.98 118.68 124.47 2f54 s LEU 20 Ca 0.03 0.20 0.08 0.00 -1.03 0.00 0.00 54.13 53.40 2f54 s LEU 20 Cb -0.13 -1.99 -0.04 0.00 0.03 0.00 0.00 46.19 44.06 2f54 s LEU 20 CO -0.10 0.35 0.06 0.20 0.23 0.00 0.00 176.35 177.09 2f54 s ASN 21 N -1.16 4.96 -0.29 2.29 0.02 -1.26 -1.31 114.94 118.19 2f54 s ASN 21 Ca 0.16 -0.41 -0.15 0.00 -1.02 0.00 0.00 52.86 51.44 2f54 s ASN 21 Cb -0.12 -1.10 0.13 0.00 0.02 0.00 0.00 41.25 40.18 2f54 s ASN 21 CO 0.06 0.03 0.86 0.00 0.02 0.00 0.00 177.10 178.06 2f54 s SER 23 N 1.75 0.33 0.01 0.00 1.04 0.16 -0.87 113.70 116.12 2f54 s SER 23 Ca -0.08 -0.58 0.02 0.00 0.48 0.00 0.00 55.95 55.79 2f54 s SER 23 Cb -0.05 0.11 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 2f54 s SER 23 CO -0.17 -0.34 -0.07 0.72 0.98 0.00 0.00 173.24 174.36 2f54 s PHE 24 N -1.84 0.62 -0.08 5.02 -0.12 -0.82 -0.04 117.98 120.72 2f54 s PHE 24 Ca -0.12 -0.21 -0.27 0.00 -0.05 0.00 0.00 56.93 56.28 2f54 s PHE 24 Cb -0.07 -0.39 -0.23 0.00 -0.63 0.00 0.00 43.02 41.71 2f54 s PHE 24 CO -0.02 -0.02 1.01 1.79 -0.05 0.00 0.00 175.22 177.92 2f54 h THR 25 N 4.85 1.54 0.00 -4.49 1.35 -1.78 -3.41 112.91 110.97 2f54 h THR 25 Ca -0.31 -1.69 0.00 0.00 -0.55 0.00 0.00 66.41 63.86 2f54 h THR 25 Cb 1.19 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 70.29 2f54 h THR 25 CO 0.47 0.43 0.00 -0.67 -0.25 0.00 0.00 175.52 175.51 2f54 n ASP 26 N -4.75 0.00 0.00 5.36 -0.08 -1.26 -4.95 116.55 110.87 2f54 n ASP 26 Ca -0.09 0.95 0.00 0.00 -1.51 0.00 0.00 54.79 54.14 2f54 n ASP 26 Cb 0.35 -0.45 0.00 0.00 2.34 0.00 0.00 41.12 43.36 2f54 n ASP 26 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 2f54 n SER 27 N -1.86 0.00 -4.41 1.67 2.88 -1.26 -4.95 113.62 105.69 2f54 n SER 27 Ca 0.00 0.00 -0.34 0.00 -1.33 0.00 0.00 58.87 57.20 2f54 n SER 27 Cb 0.00 0.00 -0.05 0.00 -0.75 0.00 0.00 64.21 63.41 2f54 n SER 27 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2f54 n ALA 28 N -0.90 2.47 -2.41 -1.46 0.00 -1.26 -4.86 120.51 112.10 2f54 n ALA 28 Ca 0.00 -3.24 -0.32 0.00 0.00 0.00 0.00 53.44 49.88 2f54 n ALA 28 Cb 0.00 -3.53 -0.14 0.00 0.00 0.00 0.00 19.45 15.78 2f54 n ALA 28 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2f54 s ILE 29 N 8.66 2.65 -0.10 0.00 2.07 -1.26 -1.76 121.20 131.46 2f54 s ILE 29 Ca 0.63 -0.90 0.07 0.00 -1.41 0.00 0.00 60.65 59.04 2f54 s ILE 29 Cb 0.03 -2.00 -0.24 0.00 0.13 0.00 0.00 42.46 40.38 2f54 s ILE 29 CO 0.12 0.57 0.42 0.00 -1.91 0.00 0.00 174.94 174.14 2f54 n TYR 30 N 2.32 0.87 -3.83 3.50 4.19 0.11 -4.60 117.16 119.73 2f54 n TYR 30 Ca -0.17 0.26 -0.06 0.00 3.31 0.00 0.00 57.90 61.24 2f54 n TYR 30 Cb 0.52 -1.14 0.00 0.00 0.49 0.00 0.00 39.34 39.21 2f54 n TYR 30 CO 0.00 0.00 0.00 0.54 0.91 0.00 0.00 176.86 178.31 2f54 s ASN 31 N -6.34 -0.10 -0.05 2.98 6.03 -1.25 -1.70 114.94 114.50 2f54 s ASN 31 Ca -0.13 -0.78 -0.03 0.00 -1.03 0.00 0.00 52.86 50.89 2f54 s ASN 31 Cb 0.07 0.69 0.03 0.00 -3.03 0.00 0.00 41.25 39.01 2f54 s ASN 31 CO 0.79 -1.33 0.12 -0.22 -2.03 0.00 0.00 177.10 174.43 2f54 s LEU 32 N -3.06 1.11 0.03 3.54 0.20 -0.31 -3.00 118.68 117.19 2f54 s LEU 32 Ca 0.15 0.25 0.05 0.00 0.69 0.00 0.00 54.13 55.27 2f54 s LEU 32 Cb -0.04 0.35 -0.02 0.00 -0.43 0.00 0.00 46.19 46.05 2f54 s LEU 32 CO 0.07 -0.10 -0.15 -1.58 -0.29 0.00 0.00 176.35 174.31 2f54 s GLN 33 N 0.68 1.00 -0.12 1.98 0.74 0.48 0.07 119.66 124.49 2f54 s GLN 33 Ca -0.05 -0.75 0.00 0.00 0.05 0.00 0.00 55.36 54.61 2f54 s GLN 33 Cb -0.07 -1.02 -0.02 0.00 1.10 0.00 0.00 33.01 33.01 2f54 s GLN 33 CO -0.03 0.26 -0.13 -1.58 -0.55 0.00 0.00 175.29 173.26 2f54 s TRP 34 N -0.79 2.81 0.31 1.67 0.52 0.63 -1.04 118.94 123.05 2f54 s TRP 34 Ca 0.03 -0.56 0.09 0.00 0.02 0.00 0.00 56.10 55.68 2f54 s TRP 34 Cb -0.08 -1.82 -0.06 0.00 -1.15 0.00 0.00 33.47 30.36 2f54 s TRP 34 CO 0.01 -0.14 -0.11 -0.06 0.02 0.00 0.00 176.95 176.67 2f54 s PHE 35 N 0.20 2.23 -0.04 -1.98 0.40 0.21 0.19 117.98 119.20 2f54 s PHE 35 Ca -0.08 -0.52 0.02 0.00 -0.60 0.00 0.00 56.93 55.76 2f54 s PHE 35 Cb -0.15 -1.21 0.01 0.00 0.51 0.00 0.00 43.02 42.18 2f54 s PHE 35 CO 0.05 0.52 -0.09 0.50 0.70 0.00 0.00 175.22 176.91 2f54 s ARG 36 N -3.62 1.09 0.01 0.44 3.52 -0.07 -1.25 118.95 119.07 2f54 s ARG 36 Ca 0.31 -0.28 0.01 0.00 -0.13 0.00 0.00 55.73 55.64 2f54 s ARG 36 Cb 0.01 -0.99 -0.01 0.00 -1.56 0.00 0.00 34.95 32.40 2f54 s ARG 36 CO 0.14 0.04 -0.04 -1.14 -0.81 0.00 0.00 175.30 173.50 2f54 s GLN 37 N 0.48 0.32 0.00 5.12 0.74 -0.54 -0.32 119.66 125.48 2f54 s GLN 37 Ca -0.08 -0.39 0.08 0.00 0.05 0.00 0.00 55.36 55.02 2f54 s GLN 37 Cb -0.12 -0.16 -0.02 0.00 1.10 0.00 0.00 33.01 33.81 2f54 s GLN 37 CO 0.01 0.03 -0.25 -0.51 -0.55 0.00 0.00 175.29 174.02 2f54 s ASP 38 N -0.79 2.93 -0.28 6.67 1.11 -1.26 -1.28 116.67 123.77 2f54 s ASP 38 Ca -0.06 -0.49 -0.38 0.00 0.18 0.00 0.00 52.55 51.80 2f54 s ASP 38 Cb -0.06 -0.30 -0.14 0.00 1.07 0.00 0.00 42.92 43.49 2f54 s ASP 38 CO -0.00 0.28 1.89 -0.81 1.18 0.00 0.00 175.17 177.70 2f54 n PRO 39 N 2.24 1.26 0.00 8.23 -0.04 -1.26 0.73 135.00 146.15 2f54 n PRO 39 Ca -0.16 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.74 2f54 n PRO 39 Cb 0.52 -2.25 0.00 0.00 -0.04 0.00 0.00 33.50 31.73 2f54 n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2f54 n GLY 40 N 4.90 2.88 0.22 0.55 0.00 -1.26 -5.02 105.19 107.46 2f54 n GLY 40 Ca 0.30 -0.42 -0.02 0.00 0.00 0.00 0.00 46.02 45.88 2f54 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f54 n GLY 41 N 0.00 -1.89 3.93 -0.02 0.00 0.22 -5.11 105.19 102.32 2f54 n GLY 41 Ca 0.00 -1.55 -0.24 0.00 0.00 0.00 0.00 46.02 44.23 2f54 n GLY 41 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f54 s LYS 42 N -3.16 2.29 0.22 1.61 0.00 -1.26 -4.65 119.74 114.79 2f54 s LYS 42 Ca 0.04 -1.89 -0.20 0.00 0.00 0.00 0.00 55.97 53.93 2f54 s LYS 42 Cb -0.00 -2.25 -0.08 0.00 0.00 0.00 0.00 37.83 35.50 2f54 s LYS 42 CO 0.03 -0.64 0.72 -0.51 0.00 0.00 0.00 175.35 174.96 2f54 s LEU 43 N -4.36 4.35 -0.12 2.77 1.02 -1.26 -4.10 118.68 116.98 2f54 s LEU 43 Ca 0.42 1.42 -0.03 0.00 0.02 0.00 0.00 54.13 55.96 2f54 s LEU 43 Cb -0.03 -3.58 0.04 0.00 0.02 0.00 0.00 46.19 42.65 2f54 s LEU 43 CO 0.26 0.04 0.05 -0.89 0.02 0.00 0.00 176.35 175.83 2f54 s THR 44 N -1.51 0.12 0.31 5.49 2.01 0.57 -4.94 115.64 117.68 2f54 s THR 44 Ca 0.43 -0.01 -0.29 0.00 0.31 0.00 0.00 61.69 62.13 2f54 s THR 44 Cb -0.17 -0.53 -0.11 0.00 0.01 0.00 0.00 72.50 71.70 2f54 s THR 44 CO 0.21 -0.02 1.49 -0.55 -0.69 0.00 0.00 174.62 175.06 2f54 s SER 45 N 2.06 6.49 -0.04 3.53 0.15 -1.26 -0.89 113.70 123.73 2f54 s SER 45 Ca 0.03 2.87 -0.07 0.00 0.70 0.00 0.00 55.95 59.48 2f54 s SER 45 Cb -0.14 -2.64 -0.02 0.00 -1.71 0.00 0.00 66.02 61.50 2f54 s SER 45 CO -0.06 -0.80 -0.13 0.18 1.20 0.00 0.00 173.24 173.62 2f54 n LEU 46 N 1.59 1.04 -3.95 3.45 4.77 0.13 -4.87 117.00 119.16 2f54 n LEU 46 Ca 0.05 0.16 -0.10 0.00 -0.03 0.00 0.00 56.01 56.09 2f54 n LEU 46 Cb 0.39 -0.48 -0.12 0.00 -2.33 0.00 0.00 43.42 40.89 2f54 n LEU 46 CO 0.62 -0.48 -0.36 -0.76 -1.33 0.00 0.00 177.39 175.08 2f54 s LEU 47 N -6.65 2.16 -0.06 2.23 1.43 -1.17 -4.97 118.68 111.66 2f54 s LEU 47 Ca -0.11 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.65 2f54 s LEU 47 Cb 0.02 0.08 0.01 0.00 0.03 0.00 0.00 46.19 46.33 2f54 s LEU 47 CO 0.16 -0.22 -0.13 -0.22 0.23 0.00 0.00 176.35 176.17 2f54 s LEU 48 N -1.07 1.70 -0.20 1.79 1.98 -1.26 -0.27 118.68 121.36 2f54 s LEU 48 Ca -0.12 -0.31 0.01 0.00 -2.89 0.00 0.00 54.13 50.82 2f54 s LEU 48 Cb -0.07 -0.85 0.05 0.00 0.66 0.00 0.00 46.19 45.97 2f54 s LEU 48 CO -0.01 0.05 -0.08 -0.63 -1.89 0.00 0.00 176.35 173.80 2f54 s ILE 49 N 0.55 1.50 0.46 6.68 1.01 0.11 -4.93 121.20 126.57 2f54 s ILE 49 Ca -0.13 -0.97 -0.23 0.00 0.00 0.00 0.00 60.65 59.32 2f54 s ILE 49 Cb -0.15 -1.64 -0.07 0.00 0.01 0.00 0.00 42.46 40.61 2f54 s ILE 49 CO 0.04 0.10 1.16 -1.10 0.00 0.00 0.00 174.94 175.14 2f54 s GLN 50 N 1.45 3.76 0.00 2.79 -0.21 -1.26 -1.17 119.66 125.02 2f54 s GLN 50 Ca -0.02 1.77 0.05 0.00 0.02 0.00 0.00 55.36 57.18 2f54 s GLN 50 Cb -0.17 -2.41 0.32 0.00 1.00 0.00 0.00 33.01 31.76 2f54 s GLN 50 CO -0.08 -0.55 0.71 -1.13 -2.12 0.00 0.00 175.29 172.12 2f54 n SER 51 N -0.48 0.00 0.09 5.90 3.41 -0.69 -1.88 113.62 119.97 2f54 n SER 51 Ca 0.07 -0.46 0.00 0.00 -0.26 0.00 0.00 58.87 58.22 2f54 n SER 51 Cb 0.48 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 64.40 2f54 n SER 51 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2f54 h SER 52 N 0.00 0.00 -2.71 4.04 0.02 -1.89 -3.48 113.55 109.53 2f54 h SER 52 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 2f54 h SER 52 Cb 0.00 0.00 -0.14 0.00 0.14 0.00 0.00 62.40 62.40 2f54 h SER 52 CO 0.00 0.60 -0.62 0.00 -1.14 0.00 0.00 176.83 175.67 2f54 s GLN 53 N -2.91 1.72 -0.24 3.45 -2.07 -0.79 -5.10 119.66 113.72 2f54 s GLN 53 Ca 0.01 -1.94 -0.12 0.00 -1.82 0.00 0.00 55.36 51.49 2f54 s GLN 53 Cb 0.08 -1.16 -0.16 0.00 -1.09 0.00 0.00 33.01 30.68 2f54 s GLN 53 CO 0.78 -0.10 -0.11 0.54 -1.32 0.00 0.00 175.29 175.08 2f54 n ARG 54 N -0.75 0.61 -4.23 9.60 5.12 -1.26 -4.70 116.66 121.05 2f54 n ARG 54 Ca -0.04 0.32 -0.28 0.00 -1.93 0.00 0.00 57.85 55.92 2f54 n ARG 54 Cb 0.66 -1.58 -0.09 0.00 -1.16 0.00 0.00 32.46 30.28 2f54 n ARG 54 CO 0.00 0.00 0.00 -1.21 -1.93 0.00 0.00 177.63 174.49 2f54 s GLU 55 N -2.48 2.18 -0.11 5.56 0.41 -1.26 -0.38 118.70 122.63 2f54 s GLU 55 Ca -0.34 -1.10 -0.05 0.00 -0.41 0.00 0.00 54.97 53.08 2f54 s GLU 55 Cb 0.11 -2.29 0.05 0.00 -1.78 0.00 0.00 34.13 30.22 2f54 s GLU 55 CO 0.57 0.48 0.23 -1.14 -0.49 0.00 0.00 175.26 174.91 2f54 s GLN 56 N -2.53 0.15 -0.02 1.61 2.00 -0.40 -5.00 119.66 115.47 2f54 s GLN 56 Ca 0.24 0.61 0.05 0.00 -2.00 0.00 0.00 55.36 54.25 2f54 s GLN 56 Cb -0.10 -0.11 -0.01 0.00 0.80 0.00 0.00 33.01 33.59 2f54 s GLN 56 CO 0.15 -0.23 -0.17 0.99 -0.50 0.00 0.00 175.29 175.54 2f54 s THR 57 N 1.85 1.34 -0.37 -0.34 2.01 -1.26 -0.83 115.64 118.04 2f54 s THR 57 Ca -0.04 -0.70 0.03 0.00 0.31 0.00 0.00 61.69 61.30 2f54 s THR 57 Cb -0.11 -1.13 0.16 0.00 0.01 0.00 0.00 72.50 71.43 2f54 s THR 57 CO -0.08 0.38 0.40 -0.55 -0.69 0.00 0.00 174.62 174.08 2f54 s SER 58 N -0.22 0.92 1.49 3.53 0.15 -0.40 -5.02 113.70 114.15 2f54 s SER 58 Ca 0.03 -1.47 0.00 0.00 0.70 0.00 0.00 55.95 55.21 2f54 s SER 58 Cb -0.08 0.69 0.00 0.00 -1.71 0.00 0.00 66.02 64.92 2f54 s SER 58 CO 0.00 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.80 2f54 n GLY 59 N 4.31 2.64 0.00 9.45 0.00 -1.26 -2.27 105.19 118.06 2f54 n GLY 59 Ca 0.11 -0.28 0.13 0.00 0.00 0.00 0.00 46.02 45.97 2f54 n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2f54 n ARG 60 N 12.97 0.07 -3.65 1.61 1.74 -1.26 -4.80 116.66 123.34 2f54 n ARG 60 Ca 0.00 0.05 -0.37 0.00 -0.77 0.00 0.00 57.85 56.76 2f54 n ARG 60 Cb 0.00 -1.50 -0.06 0.00 -1.02 0.00 0.00 32.46 29.88 2f54 n ARG 60 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2f54 s LEU 61 N -2.92 4.43 -0.10 0.55 1.43 -0.96 -1.08 118.68 120.02 2f54 s LEU 61 Ca 0.15 0.75 -0.07 0.00 -1.03 0.00 0.00 54.13 53.93 2f54 s LEU 61 Cb 0.17 -2.46 0.04 0.00 0.03 0.00 0.00 46.19 43.97 2f54 s LEU 61 CO 0.46 0.33 0.26 0.21 0.23 0.00 0.00 176.35 177.84 2f54 s ASN 62 N -1.18 -0.28 -0.02 2.29 3.04 -0.46 -1.27 114.94 117.07 2f54 s ASN 62 Ca 0.22 0.54 0.00 0.00 0.04 0.00 0.00 52.86 53.66 2f54 s ASN 62 Cb -0.15 0.46 0.02 0.00 -1.54 0.00 0.00 41.25 40.04 2f54 s ASN 62 CO 0.11 -0.14 0.01 0.00 -3.04 0.00 0.00 177.10 174.04 2f54 s ALA 63 N 0.90 0.13 0.25 1.71 0.00 -0.01 0.11 121.76 124.85 2f54 s ALA 63 Ca -0.06 0.16 0.07 0.00 0.00 0.00 0.00 51.96 52.13 2f54 s ALA 63 Cb -0.07 -0.19 -0.04 0.00 0.00 0.00 0.00 23.12 22.82 2f54 s ALA 63 CO -0.06 -0.06 0.17 -1.54 0.00 0.00 0.00 175.76 174.27 2f54 s SER 64 N 0.69 5.39 -0.02 0.00 1.04 -0.61 -1.27 113.70 118.92 2f54 s SER 64 Ca -0.06 -0.30 0.00 0.00 0.48 0.00 0.00 55.95 56.07 2f54 s SER 64 Cb -0.09 -1.33 0.02 0.00 0.10 0.00 0.00 66.02 64.73 2f54 s SER 64 CO -0.02 -0.03 0.00 -0.22 0.98 0.00 0.00 173.24 173.96 2f54 s LEU 65 N -3.79 1.30 -0.44 2.42 2.96 0.49 -2.27 118.68 119.36 2f54 s LEU 65 Ca 0.33 -0.01 0.08 0.00 -0.22 0.00 0.00 54.13 54.30 2f54 s LEU 65 Cb -0.08 -0.17 0.26 0.00 0.50 0.00 0.00 46.19 46.70 2f54 s LEU 65 CO 0.24 -0.08 0.59 -0.67 -1.32 0.00 0.00 176.35 175.10 2f54 n ASP 66 N 3.94 0.98 0.03 3.68 2.03 -0.77 -4.62 116.55 121.83 2f54 n ASP 66 Ca -0.25 -2.87 0.21 0.00 0.52 0.00 0.00 54.79 52.40 2f54 n ASP 66 Cb 0.52 -0.64 0.73 0.00 -0.72 0.00 0.00 41.12 41.01 2f54 n ASP 66 CO 0.00 0.00 0.00 0.07 -1.92 0.00 0.00 177.20 175.35 2f54 h LYS 67 N 3.94 0.00 0.28 -0.67 2.10 -1.95 0.30 116.57 120.57 2f54 h LYS 67 Ca 0.10 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.73 2f54 h LYS 67 Cb 0.84 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.17 2f54 h LYS 67 CO 0.54 0.00 -0.14 0.66 -2.00 0.00 0.00 179.45 178.51 2f54 h SER 68 N 0.00 -0.32 0.00 7.07 4.64 -1.92 -1.87 113.55 121.15 2f54 h SER 68 Ca 0.24 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2f54 h SER 68 Cb 1.10 0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 2f54 h SER 68 CO -0.00 -0.20 0.00 0.00 -0.87 0.00 0.00 176.83 175.76 2f54 n ALA 69 N -2.27 2.54 -3.71 5.18 0.00 0.76 -4.91 120.51 118.10 2f54 n ALA 69 Ca -0.10 -0.17 -0.24 0.00 0.00 0.00 0.00 53.44 52.93 2f54 n ALA 69 Cb 0.18 -1.45 0.05 0.00 0.00 0.00 0.00 19.45 18.23 2f54 n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2f54 n GLY 70 N 0.75 -0.42 3.25 0.00 0.00 0.42 -4.96 105.19 104.22 2f54 n GLY 70 Ca 0.21 0.17 -0.14 0.00 0.00 0.00 0.00 46.02 46.26 2f54 n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2f54 s SER 71 N -3.80 0.74 -0.28 1.61 0.01 -1.14 -1.94 113.70 108.91 2f54 s SER 71 Ca 0.34 -1.34 -0.15 0.00 1.31 0.00 0.00 55.95 56.12 2f54 s SER 71 Cb -0.16 0.25 0.09 0.00 0.21 0.00 0.00 66.02 66.40 2f54 s SER 71 CO 0.79 -0.75 0.67 -0.55 0.41 0.00 0.00 173.24 173.82 2f54 s SER 72 N -3.21 -0.97 -0.11 2.44 0.15 -0.05 -1.84 113.70 110.11 2f54 s SER 72 Ca 0.35 1.51 0.02 0.00 0.70 0.00 0.00 55.95 58.53 2f54 s SER 72 Cb 0.07 1.53 -0.01 0.00 -1.71 0.00 0.00 66.02 65.90 2f54 s SER 72 CO 0.10 -0.24 -0.17 -0.89 1.20 0.00 0.00 173.24 173.25 2f54 s THR 73 N 1.85 2.68 -0.19 6.45 2.01 -0.96 -2.45 115.64 125.03 2f54 s THR 73 Ca -0.09 -0.81 -0.09 0.00 0.31 0.00 0.00 61.69 61.01 2f54 s THR 73 Cb -0.06 -2.08 -0.05 0.00 0.01 0.00 0.00 72.50 70.32 2f54 s THR 73 CO -0.20 0.55 0.12 -0.22 -0.69 0.00 0.00 174.62 174.18 2f54 s LEU 74 N 0.18 4.20 -0.06 4.42 2.96 -0.42 -1.57 118.68 128.38 2f54 s LEU 74 Ca -0.10 0.25 0.04 0.00 -0.22 0.00 0.00 54.13 54.10 2f54 s LEU 74 Cb -0.16 -2.07 -0.02 0.00 0.50 0.00 0.00 46.19 44.43 2f54 s LEU 74 CO 0.06 0.21 -0.16 -0.31 -1.32 0.00 0.00 176.35 174.83 2f54 s TYR 75 N 0.16 2.67 -0.24 5.38 1.51 0.30 -0.70 117.35 126.43 2f54 s TYR 75 Ca 0.09 -0.27 0.00 0.00 -1.01 0.00 0.00 57.07 55.88 2f54 s TYR 75 Cb -0.11 -1.64 0.06 0.00 -0.11 0.00 0.00 41.96 40.16 2f54 s TYR 75 CO -0.01 0.10 -0.03 0.42 -1.11 0.00 0.00 175.55 174.92 2f54 s ILE 76 N -0.55 1.38 0.40 2.71 1.01 -0.60 -1.35 121.20 124.20 2f54 s ILE 76 Ca 0.08 -1.18 -0.25 0.00 0.00 0.00 0.00 60.65 59.31 2f54 s ILE 76 Cb -0.11 -1.71 -0.08 0.00 0.01 0.00 0.00 42.46 40.56 2f54 s ILE 76 CO 0.01 -0.16 1.12 0.00 0.00 0.00 0.00 174.94 175.91 2f54 s ALA 77 N 1.46 3.11 -0.76 9.38 0.00 -0.25 -2.06 121.76 132.63 2f54 s ALA 77 Ca -0.04 0.85 -0.14 0.00 0.00 0.00 0.00 51.96 52.64 2f54 s ALA 77 Cb -0.19 -3.34 0.02 0.00 0.00 0.00 0.00 23.12 19.62 2f54 s ALA 77 CO -0.07 -0.41 0.47 0.00 0.00 0.00 0.00 175.76 175.74 2f54 n ALA 78 N -0.03 -2.26 -1.68 0.00 0.00 -1.26 -4.77 120.51 110.52 2f54 n ALA 78 Ca 0.05 -0.33 -0.43 0.00 0.00 0.00 0.00 53.44 52.73 2f54 n ALA 78 Cb 0.48 -1.23 -0.01 0.00 0.00 0.00 0.00 19.45 18.69 2f54 n ALA 78 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2f54 n SER 79 N -1.54 2.47 -4.49 0.00 3.41 -0.58 -4.53 113.62 108.36 2f54 n SER 79 Ca -0.16 1.19 -0.25 0.00 -0.26 0.00 0.00 58.87 59.39 2f54 n SER 79 Cb 0.46 -1.45 -0.10 0.00 -0.26 0.00 0.00 64.21 62.86 2f54 n SER 79 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 2f54 s GLN 80 N -1.86 1.74 0.49 4.33 -0.21 -1.26 -0.29 119.66 122.60 2f54 s GLN 80 Ca 0.57 -1.61 0.22 0.00 0.02 0.00 0.00 55.36 54.56 2f54 s GLN 80 Cb -0.58 -1.88 1.26 0.00 1.00 0.00 0.00 33.01 32.82 2f54 s GLN 80 CO 0.61 0.36 1.95 -1.35 -2.12 0.00 0.00 175.29 174.74 2f54 h PRO 81 N 2.56 0.17 0.00 2.91 0.11 -1.88 0.97 132.00 136.83 2f54 h PRO 81 Ca -0.43 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2f54 h PRO 81 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2f54 h PRO 81 CO 0.56 0.11 0.00 0.41 -0.21 0.00 0.00 178.00 178.87 2f54 n GLY 82 N -1.60 -0.66 0.09 -0.55 0.00 -1.26 -1.28 105.19 99.93 2f54 n GLY 82 Ca 0.13 -0.03 0.12 0.00 0.00 0.00 0.00 46.02 46.24 2f54 n GLY 82 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2f54 h ASP 83 N 0.00 0.00 -1.64 1.61 3.32 -1.17 -3.46 116.42 115.08 2f54 h ASP 83 Ca 0.00 -0.14 -0.70 0.00 0.02 0.00 0.00 57.03 56.21 2f54 h ASP 83 Cb 0.10 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.66 2f54 h ASP 83 CO 0.00 0.07 1.01 -1.20 -1.72 0.00 0.00 179.24 177.40 2f54 n SER 84 N -2.31 2.68 0.00 6.45 7.64 -0.41 -4.85 113.62 122.82 2f54 n SER 84 Ca 0.03 0.98 0.00 0.00 1.01 0.00 0.00 58.87 60.89 2f54 n SER 84 Cb 0.47 -1.22 0.00 0.00 -1.01 0.00 0.00 64.21 62.45 2f54 n SER 84 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2f54 n ALA 85 N 6.18 0.00 -2.69 -0.43 0.00 0.12 -4.96 120.51 118.74 2f54 n ALA 85 Ca 0.27 0.00 -0.37 0.00 0.00 0.00 0.00 53.44 53.34 2f54 n ALA 85 Cb 0.18 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.56 2f54 n ALA 85 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2f54 s THR 86 N -2.00 5.26 -0.18 0.00 2.01 -0.40 0.35 115.64 120.67 2f54 s THR 86 Ca 0.00 0.58 -0.07 0.00 0.31 0.00 0.00 61.69 62.51 2f54 s THR 86 Cb 0.00 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 2f54 s THR 86 CO 0.00 0.31 0.06 -0.31 -0.69 0.00 0.00 174.62 173.99 2f54 s TYR 87 N 1.02 3.24 -0.02 4.92 1.51 0.53 -1.46 117.35 127.08 2f54 s TYR 87 Ca 0.17 0.06 0.08 0.00 -1.01 0.00 0.00 57.07 56.36 2f54 s TYR 87 Cb -0.14 -2.07 -0.02 0.00 -0.11 0.00 0.00 41.96 39.62 2f54 s TYR 87 CO 0.06 0.15 -0.26 -0.51 -1.11 0.00 0.00 175.55 173.88 2f54 s LEU 88 N 0.37 2.05 0.03 -1.29 1.43 -0.38 -1.35 118.68 119.54 2f54 s LEU 88 Ca 0.03 -0.47 0.07 0.00 -1.03 0.00 0.00 54.13 52.73 2f54 s LEU 88 Cb -0.12 -1.32 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 2f54 s LEU 88 CO 0.00 0.31 -0.18 0.00 0.23 0.00 0.00 176.35 176.72 2f54 s ALA 90 N -0.89 0.40 0.20 0.00 0.00 -0.21 -1.70 121.76 119.55 2f54 s ALA 90 Ca 0.14 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.22 2f54 s ALA 90 Cb -0.10 0.19 -0.05 0.00 0.00 0.00 0.00 23.12 23.15 2f54 s ALA 90 CO 0.05 -0.23 -0.05 0.14 0.00 0.00 0.00 175.76 175.67 2f54 s VAL 91 N -2.59 1.11 -0.01 0.00 -7.23 -0.86 -0.39 120.40 110.43 2f54 s VAL 91 Ca -0.04 -2.05 0.02 0.00 -1.81 0.00 0.00 61.98 58.10 2f54 s VAL 91 Cb -0.02 -2.14 -0.00 0.00 0.56 0.00 0.00 36.38 34.79 2f54 s VAL 91 CO -0.05 -0.50 -0.07 -0.13 -0.31 0.00 0.00 175.10 174.04 2f54 s ARG 92 N -3.81 0.67 0.30 4.82 0.52 -1.16 -0.85 118.95 119.44 2f54 s ARG 92 Ca 0.24 -0.24 -0.29 0.00 -0.52 0.00 0.00 55.73 54.91 2f54 s ARG 92 Cb 0.04 -0.65 -0.13 0.00 0.52 0.00 0.00 34.95 34.73 2f54 s ARG 92 CO 0.05 0.12 1.31 -2.30 0.02 0.00 0.00 175.30 174.50 2f54 n PRO 93 N 3.13 2.04 0.11 3.54 -0.02 -1.26 0.07 135.00 142.60 2f54 n PRO 93 Ca -0.16 0.72 0.13 0.00 -2.02 0.00 0.00 63.50 62.17 2f54 n PRO 93 Cb 0.56 -2.31 0.30 0.00 -0.02 0.00 0.00 33.50 32.03 2f54 n PRO 93 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2f54 h THR 94 N 2.68 0.00 -3.65 3.45 1.03 -1.60 -3.38 112.91 111.44 2f54 h THR 94 Ca -0.45 -0.56 -0.22 0.00 -0.01 0.00 0.00 66.41 65.17 2f54 h THR 94 Cb 1.28 1.42 -0.05 0.00 -1.07 0.00 0.00 68.15 69.73 2f54 h THR 94 CO 0.67 0.00 -0.10 -0.24 -0.01 0.00 0.00 175.52 175.84 2f54 n SER 95 N -2.33 -1.20 0.00 0.00 2.88 -1.26 -4.94 113.62 106.77 2f54 n SER 95 Ca 0.05 -2.59 0.00 0.00 -1.33 0.00 0.00 58.87 55.00 2f54 n SER 95 Cb 0.45 2.22 0.00 0.00 -0.75 0.00 0.00 64.21 66.12 2f54 n SER 95 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2f54 n GLY 96 N -0.49 2.02 2.44 0.46 0.00 -1.26 -4.68 105.19 103.68 2f54 n GLY 96 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2f54 n GLY 96 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2f54 n GLY 97 N -1.20 0.03 0.40 -0.02 0.00 -1.26 -4.85 105.19 98.29 2f54 n GLY 97 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.90 2f54 n GLY 97 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2f54 n SER 98 N -1.83 1.75 0.00 1.61 7.64 -1.26 -4.99 113.62 116.53 2f54 n SER 98 Ca -0.24 0.06 0.00 0.00 1.01 0.00 0.00 58.87 59.71 2f54 n SER 98 Cb 0.69 -0.28 0.00 0.00 -1.01 0.00 0.00 64.21 63.61 2f54 n SER 98 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 2f54 n TYR 99 N -3.25 0.00 -2.17 1.43 4.01 -1.26 -4.97 117.16 110.94 2f54 n TYR 99 Ca -0.22 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.10 2f54 n TYR 99 Cb 0.68 -0.52 -0.03 0.00 -0.31 0.00 0.00 39.34 39.17 2f54 n TYR 99 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 2f54 s ILE 100 N -2.82 3.42 0.57 -0.72 1.01 -1.26 -4.82 121.20 116.57 2f54 s ILE 100 Ca 0.00 0.96 -0.08 0.00 0.00 0.00 0.00 60.65 61.54 2f54 s ILE 100 Cb 0.00 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.83 2f54 s ILE 100 CO 0.00 0.05 0.91 -2.16 0.00 0.00 0.00 174.94 173.74 2f54 s PRO 101 N 1.57 3.37 -0.16 2.79 0.04 -1.26 -4.24 135.00 137.11 2f54 s PRO 101 Ca 0.65 0.36 -0.00 0.00 0.04 0.00 0.00 61.00 62.04 2f54 s PRO 101 Cb -0.35 -2.23 -0.00 0.00 0.04 0.00 0.00 34.50 31.95 2f54 s PRO 101 CO 0.29 -0.49 -0.14 0.99 0.04 0.00 0.00 177.00 177.69 2f54 s THR 102 N -2.98 2.76 -0.13 1.26 2.01 -0.03 -4.96 115.64 113.57 2f54 s THR 102 Ca 0.52 -0.74 -0.04 0.00 0.31 0.00 0.00 61.69 61.74 2f54 s THR 102 Cb -0.11 -2.18 -0.04 0.00 0.01 0.00 0.00 72.50 70.19 2f54 s THR 102 CO 0.48 0.51 0.03 -0.36 -0.69 0.00 0.00 174.62 174.59 2f54 s PHE 103 N 0.83 3.22 0.83 4.92 0.08 -1.26 -2.02 117.98 124.58 2f54 s PHE 103 Ca -0.05 0.13 -0.12 0.00 0.12 0.00 0.00 56.93 57.01 2f54 s PHE 103 Cb -0.15 -1.92 0.09 0.00 -0.57 0.00 0.00 43.02 40.47 2f54 s PHE 103 CO -0.00 0.34 1.14 0.20 -0.10 0.00 0.00 175.22 176.79 2f54 s GLY 104 N -0.35 1.60 0.00 4.36 0.00 -0.69 -4.76 107.32 107.48 2f54 s GLY 104 Ca 0.08 -0.47 0.29 0.00 0.00 0.00 0.00 44.72 44.62 2f54 s GLY 104 CO 0.02 0.02 1.86 0.54 0.00 0.00 0.00 173.10 175.54 2f54 n ARG 105 N -3.47 1.41 0.00 2.90 1.74 -1.26 -4.74 116.66 113.24 2f54 n ARG 105 Ca 0.07 -0.66 0.00 0.00 -0.77 0.00 0.00 57.85 56.49 2f54 n ARG 105 Cb 0.59 -1.49 0.00 0.00 -1.02 0.00 0.00 32.46 30.54 2f54 n ARG 105 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f54 n GLY 106 N 1.14 0.11 2.91 -0.13 0.00 -1.26 -5.00 105.19 102.97 2f54 n GLY 106 Ca 0.20 -1.82 -0.24 0.00 0.00 0.00 0.00 46.02 44.16 2f54 n GLY 106 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2f54 s THR 107 N -1.99 0.83 -0.40 2.61 2.01 -0.46 -4.65 115.64 113.59 2f54 s THR 107 Ca 0.00 -0.23 -0.20 0.00 0.31 0.00 0.00 61.69 61.57 2f54 s THR 107 Cb 0.00 -0.84 0.01 0.00 0.01 0.00 0.00 72.50 71.68 2f54 s THR 107 CO 0.00 0.31 0.61 -0.55 -0.69 0.00 0.00 174.62 174.30 2f54 s SER 108 N 1.27 6.34 -0.16 3.53 0.15 0.21 -0.35 113.70 124.69 2f54 s SER 108 Ca -0.04 -0.17 -0.05 0.00 0.70 0.00 0.00 55.95 56.38 2f54 s SER 108 Cb -0.14 -2.31 -0.03 0.00 -1.71 0.00 0.00 66.02 61.83 2f54 s SER 108 CO -0.02 -0.67 0.01 -0.22 1.20 0.00 0.00 173.24 173.53 2f54 s LEU 109 N 2.69 3.54 -0.21 3.45 2.96 0.15 -0.87 118.68 130.39 2f54 s LEU 109 Ca 0.22 -0.01 -0.01 0.00 -0.22 0.00 0.00 54.13 54.11 2f54 s LEU 109 Cb -0.15 -1.87 0.06 0.00 0.50 0.00 0.00 46.19 44.73 2f54 s LEU 109 CO 0.17 0.18 -0.01 -0.63 -1.32 0.00 0.00 176.35 174.74 2f54 s ILE 110 N 0.30 1.04 -0.48 6.68 1.01 -0.71 0.14 121.20 129.18 2f54 s ILE 110 Ca -0.00 -0.90 -0.15 0.00 0.00 0.00 0.00 60.65 59.60 2f54 s ILE 110 Cb -0.13 -1.43 0.08 0.00 0.01 0.00 0.00 42.46 41.00 2f54 s ILE 110 CO 0.02 -0.15 0.41 -0.69 0.00 0.00 0.00 174.94 174.52 2f54 s VAL 111 N 1.62 5.21 0.25 2.92 1.01 -1.26 -2.25 120.40 127.90 2f54 s VAL 111 Ca -0.03 -1.16 -0.30 0.00 0.00 0.00 0.00 61.98 60.49 2f54 s VAL 111 Cb -0.18 -4.15 -0.09 0.00 0.00 0.00 0.00 36.38 31.95 2f54 s VAL 111 CO -0.07 -0.63 1.22 -1.00 0.00 0.00 0.00 175.10 174.61 2f54 s HIS 112 N 1.63 3.35 0.49 5.22 3.76 0.21 -3.85 115.29 126.10 2f54 s HIS 112 Ca 0.04 1.47 -0.20 0.00 -0.15 0.00 0.00 55.06 56.21 2f54 s HIS 112 Cb -0.25 -3.48 -0.08 0.00 1.11 0.00 0.00 32.58 29.88 2f54 s HIS 112 CO 0.06 -1.29 1.05 -1.25 -0.85 0.00 0.00 174.74 172.46 2f54 s PRO 113 N -0.94 3.74 -0.39 8.40 0.04 -1.26 0.41 135.00 144.99 2f54 s PRO 113 Ca 0.50 1.41 -0.22 0.00 0.04 0.00 0.00 61.00 62.73 2f54 s PRO 113 Cb -0.35 -2.09 0.01 0.00 0.04 0.00 0.00 34.50 32.11 2f54 s PRO 113 CO 0.42 -0.49 0.71 -0.47 0.04 0.00 0.00 177.00 177.21 2f54 s TYR 114 N -1.94 3.10 -0.89 0.56 5.04 -1.26 -4.45 117.35 117.51 2f54 s TYR 114 Ca 0.68 0.33 -0.19 0.00 -2.44 0.00 0.00 57.07 55.45 2f54 s TYR 114 Cb -0.18 -3.34 0.13 0.00 0.35 0.00 0.00 41.96 38.92 2f54 s TYR 114 CO 0.21 -0.76 1.08 0.42 -1.34 0.00 0.00 175.55 175.16 2f54 s ILE 115 N 2.95 4.75 0.25 3.14 -1.09 -1.26 -4.92 121.20 125.01 2f54 s ILE 115 Ca 0.27 -1.50 -0.06 0.00 -2.23 0.00 0.00 60.65 57.13 2f54 s ILE 115 Cb -0.14 -4.74 0.27 0.00 -1.58 0.00 0.00 42.46 36.27 2f54 s ILE 115 CO 0.17 -1.46 1.64 -0.61 -1.23 0.00 0.00 174.94 173.46 2f54 h GLN 116 N 8.85 0.12 -2.66 2.79 5.75 -1.94 -3.31 115.11 124.71 2f54 h GLN 116 Ca 0.10 -0.01 -0.60 0.00 -0.15 0.00 0.00 58.65 57.99 2f54 h GLN 116 Cb 1.03 -0.03 -0.39 0.00 1.07 0.00 0.00 27.48 29.16 2f54 h GLN 116 CO 1.09 0.08 -0.82 -0.80 -2.65 0.00 0.00 178.83 175.73 2f54 s ASN 117 N -5.19 2.77 0.48 -0.69 0.02 -1.26 -5.12 114.94 105.95 2f54 s ASN 117 Ca -0.13 -3.20 -0.23 0.00 -1.02 0.00 0.00 52.86 48.27 2f54 s ASN 117 Cb 0.22 -0.86 -0.07 0.00 0.02 0.00 0.00 41.25 40.57 2f54 s ASN 117 CO 0.75 -0.16 1.30 -2.84 0.02 0.00 0.00 177.10 176.17 2f54 s PRO 118 N -0.30 3.56 -0.42 -0.60 0.02 -1.25 -4.97 135.00 131.04 2f54 s PRO 118 Ca 0.28 2.11 0.08 0.00 0.02 0.00 0.00 61.00 63.49 2f54 s PRO 118 Cb -0.03 -2.46 0.29 0.00 0.02 0.00 0.00 34.50 32.31 2f54 s PRO 118 CO -0.15 -0.81 0.78 -3.47 -0.33 0.00 0.00 177.00 173.02 2f54 n ASP 119 N -0.52 -0.96 -4.54 2.53 -0.08 0.96 -5.02 116.55 108.92 2f54 n ASP 119 Ca 0.07 -3.13 -0.50 0.00 -1.51 0.00 0.00 54.79 49.73 2f54 n ASP 119 Cb 0.45 0.51 -0.04 0.00 2.34 0.00 0.00 41.12 44.38 2f54 n ASP 119 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 2f54 n PRO 120 N 1.00 0.79 -3.51 -0.67 -0.02 -0.96 -4.59 135.00 127.02 2f54 n PRO 120 Ca 0.16 0.28 -0.13 0.00 -2.02 0.00 0.00 63.50 61.79 2f54 n PRO 120 Cb 0.62 -1.69 -0.04 0.00 -0.02 0.00 0.00 33.50 32.37 2f54 n PRO 120 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2f54 s ALA 121 N -0.35 -1.80 -0.18 3.55 0.00 -0.37 -1.59 121.76 121.02 2f54 s ALA 121 Ca 0.74 1.18 0.01 0.00 0.00 0.00 0.00 51.96 53.88 2f54 s ALA 121 Cb -0.92 0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.28 2f54 s ALA 121 CO 0.54 -0.50 -0.18 0.08 0.00 0.00 0.00 175.76 175.71 2f54 s VAL 122 N -2.07 1.94 0.22 0.00 1.01 -0.94 -0.23 120.40 120.33 2f54 s VAL 122 Ca -0.03 -0.92 0.11 0.00 0.00 0.00 0.00 61.98 61.14 2f54 s VAL 122 Cb -0.01 -1.80 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 2f54 s VAL 122 CO -0.01 0.46 -0.16 -0.31 0.00 0.00 0.00 175.10 175.09 2f54 s TYR 123 N 1.33 2.44 -0.29 5.22 2.02 0.74 -4.30 117.35 124.51 2f54 s TYR 123 Ca 0.04 -0.30 -0.03 0.00 -0.37 0.00 0.00 57.07 56.41 2f54 s TYR 123 Cb -0.14 -1.14 0.04 0.00 -0.40 0.00 0.00 41.96 40.32 2f54 s TYR 123 CO -0.12 0.58 0.00 -1.14 -1.57 0.00 0.00 175.55 173.31 2f54 s GLN 124 N -3.08 2.61 -0.08 -0.62 0.74 -1.26 0.64 119.66 118.62 2f54 s GLN 124 Ca 0.26 -1.14 -0.12 0.00 0.05 0.00 0.00 55.36 54.40 2f54 s GLN 124 Cb -0.07 -3.18 -0.05 0.00 1.10 0.00 0.00 33.01 30.81 2f54 s GLN 124 CO 0.14 -0.55 0.29 -0.51 -0.55 0.00 0.00 175.29 174.11 2f54 s LEU 125 N 1.31 4.39 0.16 3.68 1.02 0.62 -4.92 118.68 124.94 2f54 s LEU 125 Ca -0.03 0.69 0.04 0.00 0.02 0.00 0.00 54.13 54.85 2f54 s LEU 125 Cb -0.19 -2.36 -0.04 0.00 0.02 0.00 0.00 46.19 43.63 2f54 s LEU 125 CO -0.01 0.30 0.20 -0.60 0.02 0.00 0.00 176.35 176.26 2f54 s ARG 126 N -0.69 3.13 0.34 1.70 3.52 -1.26 0.13 118.95 125.81 2f54 s ARG 126 Ca 0.19 -0.77 -0.29 0.00 -0.13 0.00 0.00 55.73 54.73 2f54 s ARG 126 Cb -0.14 -2.78 -0.11 0.00 -1.56 0.00 0.00 34.95 30.36 2f54 s ARG 126 CO 0.08 0.49 1.55 0.34 -0.81 0.00 0.00 175.30 176.95 2f54 s ASP 127 N -3.21 6.33 0.45 -2.12 3.68 -0.12 -4.91 116.67 116.77 2f54 s ASP 127 Ca 0.33 3.03 0.19 0.00 2.13 0.00 0.00 52.55 58.23 2f54 s ASP 127 Cb -0.10 -2.65 1.08 0.00 -1.45 0.00 0.00 42.92 39.79 2f54 s ASP 127 CO 0.26 -0.91 1.96 -1.28 0.13 0.00 0.00 175.17 175.32 2f54 h SER 128 N 3.82 0.00 0.00 -0.34 0.87 -1.97 -3.37 113.55 112.55 2f54 h SER 128 Ca -0.49 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 59.93 2f54 h SER 128 Cb 1.23 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.17 2f54 h SER 128 CO 0.71 0.22 -1.49 0.29 -0.53 0.00 0.00 176.83 176.03 2f54 n LYS 129 N -3.93 0.20 -4.69 2.24 5.02 -1.26 -5.03 118.16 110.71 2f54 n LYS 129 Ca -0.02 0.06 -0.33 0.00 -2.02 0.00 0.00 58.31 56.00 2f54 n LYS 129 Cb 0.30 -1.02 -0.13 0.00 -0.02 0.00 0.00 35.03 34.16 2f54 n LYS 129 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2f54 s SER 130 N -5.24 4.25 1.04 4.39 0.15 -1.26 -5.12 113.70 111.91 2f54 s SER 130 Ca -0.12 -0.24 -0.03 0.00 0.70 0.00 0.00 55.95 56.26 2f54 s SER 130 Cb 0.04 -1.51 0.05 0.00 -1.71 0.00 0.00 66.02 62.88 2f54 s SER 130 CO 0.18 0.21 0.18 -1.20 1.20 0.00 0.00 173.24 173.80 2f54 n SER 131 N 3.25 -1.10 0.00 5.45 7.64 -1.26 -3.85 113.62 123.75 2f54 n SER 131 Ca -0.18 -0.64 0.00 0.00 1.01 0.00 0.00 58.87 59.07 2f54 n SER 131 Cb 0.53 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.57 2f54 n SER 131 CO 0.00 0.00 0.00 0.47 -3.01 0.00 0.00 175.04 172.50 2f54 n ASP 132 N -3.29 0.00 -4.68 6.43 10.43 -1.26 -4.80 116.55 119.39 2f54 n ASP 132 Ca 0.02 0.00 -0.46 0.00 2.57 0.00 0.00 54.79 56.93 2f54 n ASP 132 Cb 0.09 0.00 -0.04 0.00 1.84 0.00 0.00 41.12 43.01 2f54 n ASP 132 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 2f54 n LYS 133 N 0.00 2.45 -3.68 -1.24 4.76 -1.25 -4.93 118.16 114.26 2f54 n LYS 133 Ca 0.00 0.90 -0.10 0.00 -2.87 0.00 0.00 58.31 56.24 2f54 n LYS 133 Cb 0.00 -2.77 -0.04 0.00 -1.84 0.00 0.00 35.03 30.38 2f54 n LYS 133 CO 0.00 0.00 0.00 -1.54 -1.37 0.00 0.00 177.40 174.49 2f54 s SER 134 N 3.81 -0.30 0.12 4.39 1.04 -1.26 -0.95 113.70 120.54 2f54 s SER 134 Ca 0.89 -0.39 0.05 0.00 0.48 0.00 0.00 55.95 56.98 2f54 s SER 134 Cb -0.59 0.58 -0.04 0.00 0.10 0.00 0.00 66.02 66.06 2f54 s SER 134 CO 0.46 -1.03 -0.12 -0.69 0.98 0.00 0.00 173.24 172.84 2f54 s VAL 135 N -3.85 1.19 -0.11 5.02 1.01 0.12 -4.68 120.40 119.09 2f54 s VAL 135 Ca 0.07 -1.74 -0.02 0.00 0.00 0.00 0.00 61.98 60.29 2f54 s VAL 135 Cb -0.01 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 2f54 s VAL 135 CO -0.05 -0.51 -0.02 0.00 0.00 0.00 0.00 175.10 174.52 2f54 s LEU 137 N -0.37 2.75 -0.31 0.00 2.96 0.21 -1.35 118.68 122.57 2f54 s LEU 137 Ca 0.06 -1.21 -0.16 0.00 -0.22 0.00 0.00 54.13 52.60 2f54 s LEU 137 Cb -0.12 -1.27 -0.02 0.00 0.50 0.00 0.00 46.19 45.28 2f54 s LEU 137 CO 0.02 -0.22 0.43 0.12 -1.32 0.00 0.00 176.35 175.39 2f54 s PHE 138 N 1.33 3.22 0.24 5.38 5.36 -0.23 -0.18 117.98 133.10 2f54 s PHE 138 Ca -0.06 0.29 -0.05 0.00 -0.96 0.00 0.00 56.93 56.14 2f54 s PHE 138 Cb -0.19 -2.72 -0.02 0.00 -0.34 0.00 0.00 43.02 39.75 2f54 s PHE 138 CO -0.06 -0.37 0.32 -0.08 -1.46 0.00 0.00 175.22 173.57 2f54 s THR 139 N 2.19 0.00 -1.84 0.12 -1.32 0.68 -0.34 115.64 115.14 2f54 s THR 139 Ca 0.16 -1.72 0.00 0.00 -1.21 0.00 0.00 61.69 58.92 2f54 s THR 139 Cb -0.16 -2.41 0.00 0.00 -1.51 0.00 0.00 72.50 68.42 2f54 s THR 139 CO 0.11 0.00 0.00 0.47 -2.21 0.00 0.00 174.62 172.99 2f54 n ASP 140 N -0.54 -5.90 -4.93 8.08 9.92 -0.81 -1.24 116.55 121.12 2f54 n ASP 140 Ca 0.01 0.04 -0.26 0.00 -0.53 0.00 0.00 54.79 54.05 2f54 n ASP 140 Cb 0.64 -4.94 -0.02 0.00 -0.64 0.00 0.00 41.12 36.15 2f54 n ASP 140 CO 0.00 0.00 0.00 0.72 0.13 0.00 0.00 177.20 178.05 2f54 s PHE 141 N -3.02 3.49 0.92 1.24 -0.71 -1.26 -0.02 117.98 118.61 2f54 s PHE 141 Ca 0.00 0.38 -0.14 0.00 -1.04 0.00 0.00 56.93 56.13 2f54 s PHE 141 Cb 0.00 -1.90 0.16 0.00 -1.21 0.00 0.00 43.02 40.06 2f54 s PHE 141 CO 0.00 0.22 1.24 0.16 -1.34 0.00 0.00 175.22 175.50 2f54 s ASP 142 N -3.61 3.52 0.00 1.98 1.47 -1.26 -4.39 116.67 114.38 2f54 s ASP 142 Ca 0.40 0.55 0.11 0.00 1.18 0.00 0.00 52.55 54.78 2f54 s ASP 142 Cb -0.10 -0.82 0.64 0.00 -0.34 0.00 0.00 42.92 42.29 2f54 s ASP 142 CO 0.32 -2.51 1.27 -1.20 0.68 0.00 0.00 175.17 173.74 2f54 n SER 143 N -3.67 0.00 0.14 2.11 7.64 -1.26 -2.39 113.62 116.18 2f54 n SER 143 Ca 0.12 -1.33 0.02 0.00 1.01 0.00 0.00 58.87 58.69 2f54 n SER 143 Cb 0.60 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.83 2f54 n SER 143 CO 0.00 0.00 0.00 1.56 -3.01 0.00 0.00 175.04 173.59 2f54 h GLN 144 N 0.00 0.00 -6.43 1.43 7.50 -1.94 -3.45 115.11 112.22 2f54 h GLN 144 Ca 0.00 0.00 -0.54 0.00 0.50 0.00 0.00 58.65 58.61 2f54 h GLN 144 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 27.48 27.52 2f54 h GLN 144 CO 0.00 0.53 0.54 0.99 -1.50 0.00 0.00 178.83 179.39 2f54 s THR 145 N -2.98 4.30 -0.31 -0.54 2.01 -1.01 -5.02 115.64 112.09 2f54 s THR 145 Ca 0.03 1.65 -0.06 0.00 0.31 0.00 0.00 61.69 63.62 2f54 s THR 145 Cb 0.08 -4.06 0.03 0.00 0.01 0.00 0.00 72.50 68.56 2f54 s THR 145 CO 0.75 0.10 0.08 0.20 -0.69 0.00 0.00 174.62 175.05 2f54 s ASN 146 N 1.12 5.14 -0.65 3.53 0.01 -1.26 -5.01 114.94 117.82 2f54 s ASN 146 Ca 0.56 -0.95 -0.25 0.00 -0.71 0.00 0.00 52.86 51.51 2f54 s ASN 146 Cb -0.26 -1.85 0.05 0.00 0.41 0.00 0.00 41.25 39.60 2f54 s ASN 146 CO 0.27 -0.25 1.06 -0.69 -1.51 0.00 0.00 177.10 175.97 2f54 s VAL 147 N 1.43 4.16 0.45 1.60 1.01 -1.26 -4.42 120.40 123.37 2f54 s VAL 147 Ca -0.00 0.09 -0.03 0.00 0.00 0.00 0.00 61.98 62.04 2f54 s VAL 147 Cb -0.18 -4.71 -0.03 0.00 0.00 0.00 0.00 36.38 31.46 2f54 s VAL 147 CO 0.02 -1.47 0.71 -0.55 0.00 0.00 0.00 175.10 173.81 2f54 s SER 148 N 3.43 6.15 0.94 3.32 0.15 -1.26 -4.67 113.70 121.76 2f54 s SER 148 Ca 0.29 0.67 -0.12 0.00 0.70 0.00 0.00 55.95 57.50 2f54 s SER 148 Cb -0.13 -2.03 0.15 0.00 -1.71 0.00 0.00 66.02 62.30 2f54 s SER 148 CO 0.15 -0.55 1.09 -1.10 1.20 0.00 0.00 173.24 174.03 2f54 s GLN 149 N -4.61 0.93 0.30 5.44 -1.52 -1.26 -4.61 119.66 114.34 2f54 s GLN 149 Ca 0.46 0.85 0.05 0.00 -1.95 0.00 0.00 55.36 54.76 2f54 s GLN 149 Cb -0.10 -1.77 -0.02 0.00 -0.22 0.00 0.00 33.01 30.90 2f54 s GLN 149 CO 0.41 -2.47 0.45 0.45 -0.25 0.00 0.00 175.29 173.87 2f54 s SER 150 N -3.27 6.15 -0.91 5.90 0.15 -1.26 -4.70 113.70 115.75 2f54 s SER 150 Ca 0.64 0.03 -0.02 0.00 0.70 0.00 0.00 55.95 57.31 2f54 s SER 150 Cb -0.19 -1.62 0.23 0.00 -1.71 0.00 0.00 66.02 62.73 2f54 s SER 150 CO 0.58 -0.28 0.81 1.17 1.20 0.00 0.00 173.24 176.72 2f54 n LYS 151 N -1.59 2.71 -3.20 5.44 3.00 -1.26 -4.90 118.16 118.35 2f54 n LYS 151 Ca -0.04 -4.48 0.04 0.00 -0.00 0.00 0.00 58.31 53.83 2f54 n LYS 151 Cb 0.57 -2.42 -0.02 0.00 0.00 0.00 0.00 35.03 33.16 2f54 n LYS 151 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.40 177.74 2f54 s ASP 152 N -0.11 -0.41 0.27 3.14 3.68 -1.26 -5.03 116.67 116.95 2f54 s ASP 152 Ca 0.28 0.35 -0.08 0.00 2.13 0.00 0.00 52.55 55.23 2f54 s ASP 152 Cb -0.07 1.38 0.46 0.00 -1.45 0.00 0.00 42.92 43.24 2f54 s ASP 152 CO -0.12 -0.08 1.58 0.77 0.13 0.00 0.00 175.17 177.45 2f54 h SER 153 N 7.77 -0.78 0.00 -0.34 4.64 -2.06 0.25 113.55 123.04 2f54 h SER 153 Ca -0.14 0.27 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2f54 h SER 153 Cb 1.16 0.55 0.00 0.00 -0.31 0.00 0.00 62.40 63.79 2f54 h SER 153 CO -0.05 -0.30 0.00 0.47 -0.87 0.00 0.00 176.83 176.08 2f54 n ASP 154 N -5.56 0.00 -4.31 4.97 10.43 -1.26 -4.69 116.55 116.13 2f54 n ASP 154 Ca 0.15 -1.72 -0.35 0.00 2.57 0.00 0.00 54.79 55.44 2f54 n ASP 154 Cb 0.50 0.00 -0.14 0.00 1.84 0.00 0.00 41.12 43.32 2f54 n ASP 154 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 2f54 s VAL 155 N -2.00 3.35 -0.09 2.53 1.01 0.89 -4.20 120.40 121.89 2f54 s VAL 155 Ca 0.11 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 61.59 2f54 s VAL 155 Cb 0.05 -2.52 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 2f54 s VAL 155 CO 0.08 0.43 -0.08 -0.31 0.00 0.00 0.00 175.10 175.23 2f54 s TYR 156 N 1.43 2.92 -0.06 5.22 2.02 -1.08 -4.71 117.35 123.10 2f54 s TYR 156 Ca 0.05 -0.11 -0.02 0.00 -0.37 0.00 0.00 57.07 56.61 2f54 s TYR 156 Cb -0.14 -1.76 0.04 0.00 -0.40 0.00 0.00 41.96 39.70 2f54 s TYR 156 CO -0.03 0.20 0.10 0.42 -1.57 0.00 0.00 175.55 174.67 2f54 s ILE 157 N -0.49 -0.16 0.22 2.71 1.01 -1.26 -2.42 121.20 120.81 2f54 s ILE 157 Ca 0.07 0.39 -0.22 0.00 0.00 0.00 0.00 60.65 60.89 2f54 s ILE 157 Cb -0.12 -0.20 -0.08 0.00 0.01 0.00 0.00 42.46 42.07 2f54 s ILE 157 CO 0.02 0.16 0.77 0.42 0.00 0.00 0.00 174.94 176.31 2f54 s THR 158 N 2.12 4.46 1.00 2.92 -4.23 -0.22 -4.91 115.64 116.79 2f54 s THR 158 Ca 0.03 1.48 -0.11 0.00 -1.18 0.00 0.00 61.69 61.91 2f54 s THR 158 Cb -0.12 -3.95 0.19 0.00 1.34 0.00 0.00 72.50 69.96 2f54 s THR 158 CO -0.04 0.28 1.11 -0.62 -0.54 0.00 0.00 174.62 174.81 2f54 s ASP 159 N -1.51 2.21 0.07 3.99 3.68 -1.26 -3.87 116.67 119.98 2f54 s ASP 159 Ca 0.42 2.00 -0.37 0.00 2.13 0.00 0.00 52.55 56.73 2f54 s ASP 159 Cb -0.19 -2.50 -0.17 0.00 -1.45 0.00 0.00 42.92 38.62 2f54 s ASP 159 CO 0.23 -3.51 1.35 1.17 0.13 0.00 0.00 175.17 174.54 2f54 n LYS 160 N -4.49 1.13 -3.82 4.34 4.81 -1.26 -4.62 118.16 114.26 2f54 n LYS 160 Ca 0.09 0.41 -0.19 0.00 -0.87 0.00 0.00 58.31 57.75 2f54 n LYS 160 Cb 0.53 -2.05 -0.17 0.00 0.02 0.00 0.00 35.03 33.35 2f54 n LYS 160 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2f54 s VAL 162 N 1.52 5.25 0.25 0.00 0.11 -1.26 -1.03 120.40 125.23 2f54 s VAL 162 Ca -0.03 0.65 0.10 0.00 -2.93 0.00 0.00 61.98 59.77 2f54 s VAL 162 Cb -0.13 -3.66 -0.05 0.00 -1.53 0.00 0.00 36.38 31.01 2f54 s VAL 162 CO -0.03 0.43 -0.11 -1.48 -3.33 0.00 0.00 175.10 170.58 2f54 s LEU 163 N 0.12 2.87 -0.20 2.54 0.05 -0.16 -4.95 118.68 118.95 2f54 s LEU 163 Ca 0.19 -0.79 -0.02 0.00 0.05 0.00 0.00 54.13 53.57 2f54 s LEU 163 Cb -0.14 -1.44 0.06 0.00 -2.05 0.00 0.00 46.19 42.62 2f54 s LEU 163 CO 0.07 0.04 0.00 -0.62 -0.55 0.00 0.00 176.35 175.29 2f54 s ASP 164 N -3.37 3.20 -1.25 1.48 -1.08 -1.26 -1.20 116.67 113.18 2f54 s ASP 164 Ca 0.29 -0.92 -0.11 0.00 -0.52 0.00 0.00 52.55 51.29 2f54 s ASP 164 Cb -0.06 -0.80 0.17 0.00 -1.46 0.00 0.00 42.92 40.76 2f54 s ASP 164 CO 0.16 -0.28 1.69 0.23 0.52 0.00 0.00 175.17 177.50 2f54 n MET 165 N 4.92 3.53 0.28 4.34 2.81 0.23 -4.80 117.12 128.43 2f54 n MET 165 Ca -0.10 -3.68 0.14 0.00 -1.81 0.00 0.00 57.70 52.25 2f54 n MET 165 Cb 0.46 -2.96 0.85 0.00 -0.71 0.00 0.00 33.22 30.86 2f54 n MET 165 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 2f54 h ARG 166 N 6.31 0.00 0.00 0.03 0.11 -1.95 -0.96 114.38 117.91 2f54 h ARG 166 Ca 0.36 0.00 -0.03 0.00 0.10 0.00 0.00 59.98 60.41 2f54 h ARG 166 Cb 0.73 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.81 2f54 h ARG 166 CO 1.46 0.00 -0.12 1.03 0.10 0.00 0.00 179.97 182.44 2f54 h SER 167 N 0.00 0.00 -0.48 0.08 0.87 -1.91 -0.46 113.55 111.66 2f54 h SER 167 Ca 0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.57 2f54 h SER 167 Cb 0.07 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.03 2f54 h SER 167 CO -0.00 0.12 0.00 0.23 -0.53 0.00 0.00 176.83 176.65 2f54 n MET 168 N -3.95 3.13 -4.07 2.24 2.81 -0.42 -4.95 117.12 111.92 2f54 n MET 168 Ca -0.02 -2.53 -0.33 0.00 -1.81 0.00 0.00 57.70 53.00 2f54 n MET 168 Cb 0.21 -1.60 -0.00 0.00 -0.71 0.00 0.00 33.22 31.12 2f54 n MET 168 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 2f54 n ASP 169 N 0.67 -3.90 -4.09 7.83 2.03 -0.18 -4.94 116.55 113.97 2f54 n ASP 169 Ca 0.19 -0.90 -0.25 0.00 0.52 0.00 0.00 54.79 54.35 2f54 n ASP 169 Cb 0.68 -3.30 -0.16 0.00 -0.72 0.00 0.00 41.12 37.62 2f54 n ASP 169 CO 0.00 0.00 0.00 0.12 -1.92 0.00 0.00 177.20 175.40 2f54 s PHE 170 N -3.32 1.57 0.26 -0.67 5.36 -0.90 -4.99 117.98 115.30 2f54 s PHE 170 Ca 0.68 -0.50 0.06 0.00 -0.96 0.00 0.00 56.93 56.21 2f54 s PHE 170 Cb -0.36 -1.09 -0.06 0.00 -0.34 0.00 0.00 43.02 41.18 2f54 s PHE 170 CO 0.88 -0.20 -0.05 -1.59 -1.46 0.00 0.00 175.22 172.80 2f54 s LYS 171 N 0.26 1.48 -0.07 10.12 -2.85 -1.26 0.77 119.74 128.20 2f54 s LYS 171 Ca -0.08 -1.75 -0.28 0.00 -1.00 0.00 0.00 55.97 52.86 2f54 s LYS 171 Cb -0.13 -1.02 0.06 0.00 -2.06 0.00 0.00 37.83 34.69 2f54 s LYS 171 CO 0.03 0.01 0.64 -1.54 0.10 0.00 0.00 175.35 174.59 2f54 s SER 172 N -3.40 -0.61 0.06 0.03 1.04 -0.34 -4.97 113.70 105.50 2f54 s SER 172 Ca 0.29 0.71 -0.12 0.00 0.48 0.00 0.00 55.95 57.31 2f54 s SER 172 Cb 0.04 0.59 -0.06 0.00 0.10 0.00 0.00 66.02 66.70 2f54 s SER 172 CO 0.11 -0.56 0.42 0.20 0.98 0.00 0.00 173.24 174.39 2f54 s ASN 173 N -1.06 6.72 -0.16 7.02 0.01 -1.26 -0.99 114.94 125.22 2f54 s ASN 173 Ca -0.10 0.89 -0.17 0.00 -0.71 0.00 0.00 52.86 52.77 2f54 s ASN 173 Cb -0.01 -2.22 0.05 0.00 0.41 0.00 0.00 41.25 39.48 2f54 s ASN 173 CO 0.08 0.22 0.47 -0.94 -1.51 0.00 0.00 177.10 175.42 2f54 s SER 174 N -1.50 -0.48 0.04 -1.22 1.04 -0.20 -1.92 113.70 109.46 2f54 s SER 174 Ca 0.30 0.89 0.06 0.00 0.48 0.00 0.00 55.95 57.69 2f54 s SER 174 Cb -0.15 0.91 -0.02 0.00 0.10 0.00 0.00 66.02 66.86 2f54 s SER 174 CO 0.16 -0.19 -0.18 0.00 0.98 0.00 0.00 173.24 174.02 2f54 s ALA 175 N 0.13 1.50 -0.05 5.32 0.00 0.54 -0.94 121.76 128.25 2f54 s ALA 175 Ca -0.01 -0.96 0.06 0.00 0.00 0.00 0.00 51.96 51.05 2f54 s ALA 175 Cb -0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 23.12 22.80 2f54 s ALA 175 CO 0.01 0.32 -0.22 0.08 0.00 0.00 0.00 175.76 175.95 2f54 s VAL 176 N -0.82 2.32 -0.05 0.00 1.01 -1.25 -1.07 120.40 120.54 2f54 s VAL 176 Ca 0.05 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.05 2f54 s VAL 176 Cb -0.08 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.46 2f54 s VAL 176 CO 0.02 0.57 -0.03 0.00 0.00 0.00 0.00 175.10 175.66 2f54 s ALA 177 N -0.33 0.65 0.02 5.51 0.00 -0.46 -1.06 121.76 126.11 2f54 s ALA 177 Ca 0.02 -0.06 -0.07 0.00 0.00 0.00 0.00 51.96 51.85 2f54 s ALA 177 Cb -0.12 -0.48 -0.00 0.00 0.00 0.00 0.00 23.12 22.51 2f54 s ALA 177 CO 0.02 -0.12 0.13 1.67 0.00 0.00 0.00 175.76 177.47 2f54 s TRP 178 N 1.14 0.10 -0.28 0.00 -2.14 -1.02 -0.72 118.94 116.03 2f54 s TRP 178 Ca -0.08 -0.29 -0.21 0.00 2.66 0.00 0.00 56.10 58.18 2f54 s TRP 178 Cb -0.14 -0.08 0.09 0.00 -3.10 0.00 0.00 33.47 30.25 2f54 s TRP 178 CO -0.01 -0.34 0.82 0.45 -2.66 0.00 0.00 176.95 175.21 2f54 s SER 179 N -1.77 -0.71 0.35 -2.66 0.15 -1.26 -2.63 113.70 105.18 2f54 s SER 179 Ca -0.10 1.25 0.16 0.00 0.70 0.00 0.00 55.95 57.97 2f54 s SER 179 Cb -0.04 1.28 0.59 0.00 -1.71 0.00 0.00 66.02 66.14 2f54 s SER 179 CO -0.01 -0.21 1.70 -1.13 1.20 0.00 0.00 173.24 174.79 2f54 h ASN 180 N 5.52 0.00 -0.87 5.45 -0.00 -1.99 -3.48 115.58 120.22 2f54 h ASN 180 Ca -0.29 0.00 -0.29 0.00 -0.00 0.00 0.00 56.30 55.72 2f54 h ASN 180 Cb 1.19 0.00 0.08 0.00 -0.00 0.00 0.00 38.32 39.59 2f54 h ASN 180 CO 0.11 0.44 -0.49 1.17 -0.00 0.00 0.00 177.43 178.66 2f54 n LYS 181 N -3.62 0.00 0.47 6.67 3.00 -1.26 -4.93 118.16 118.49 2f54 n LYS 181 Ca -0.01 0.00 -0.19 0.00 -0.00 0.00 0.00 58.31 58.12 2f54 n LYS 181 Cb 0.54 -0.48 -0.09 0.00 0.00 0.00 0.00 35.03 34.99 2f54 n LYS 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 2f54 h SER 182 N 0.09 -1.02 -2.72 3.14 0.87 -1.99 -3.34 113.55 108.58 2f54 h SER 182 Ca -0.18 0.03 -0.80 0.00 -1.23 0.00 0.00 61.79 59.61 2f54 h SER 182 Cb 0.70 0.26 -0.26 0.00 -0.44 0.00 0.00 62.40 62.66 2f54 h SER 182 CO 0.22 -0.69 0.96 0.47 -0.53 0.00 0.00 176.83 177.26 2f54 n ASP 183 N -5.58 6.10 -4.05 6.23 9.92 -1.26 -5.00 116.55 122.91 2f54 n ASP 183 Ca -0.15 -3.32 -0.24 0.00 -0.53 0.00 0.00 54.79 50.55 2f54 n ASP 183 Cb 0.48 -1.32 -0.16 0.00 -0.64 0.00 0.00 41.12 39.47 2f54 n ASP 183 CO 0.00 0.00 0.00 0.12 0.13 0.00 0.00 177.20 177.45 2f54 s PHE 184 N -2.03 1.46 -0.05 1.24 2.19 -1.26 -5.10 117.98 114.44 2f54 s PHE 184 Ca 0.33 -0.50 -0.23 0.00 0.33 0.00 0.00 56.93 56.86 2f54 s PHE 184 Cb 0.04 -1.05 0.05 0.00 -1.31 0.00 0.00 43.02 40.75 2f54 s PHE 184 CO 0.07 -0.23 0.52 0.00 1.83 0.00 0.00 175.22 177.40 2f54 s ALA 185 N 0.47 -1.33 0.41 11.12 0.00 -1.26 -5.07 121.76 126.09 2f54 s ALA 185 Ca -0.11 0.92 0.19 0.00 0.00 0.00 0.00 51.96 52.96 2f54 s ALA 185 Cb -0.14 -0.03 1.12 0.00 0.00 0.00 0.00 23.12 24.07 2f54 s ALA 185 CO 0.03 -0.32 1.79 0.00 0.00 0.00 0.00 175.76 177.26 2f54 h ALA 187 N 1.61 1.88 -0.37 0.00 0.00 -1.97 -1.89 119.26 118.52 2f54 h ALA 187 Ca 0.57 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.48 2f54 h ALA 187 Cb 1.48 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2f54 h ALA 187 CO -0.26 -0.08 0.00 0.27 0.00 0.00 0.00 179.25 179.18 2f54 n ASN 188 N -4.51 3.41 0.31 0.00 2.04 -0.45 -4.71 115.26 111.34 2f54 n ASN 188 Ca 0.14 -2.31 -0.13 0.00 -0.44 0.00 0.00 54.58 51.85 2f54 n ASN 188 Cb 0.42 -0.36 -0.06 0.00 -2.53 0.00 0.00 39.78 37.25 2f54 n ASN 188 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2f54 h ALA 189 N 2.27 -0.88 -0.96 -2.53 0.00 -0.89 -3.18 119.26 113.08 2f54 h ALA 189 Ca 0.00 -0.18 -0.69 0.00 0.00 0.00 0.00 54.91 54.04 2f54 h ALA 189 Cb 1.00 0.32 -0.27 0.00 0.00 0.00 0.00 17.79 18.83 2f54 h ALA 189 CO 0.08 -0.82 0.91 1.19 0.00 0.00 0.00 179.25 180.61 2f54 n PHE 190 N -5.04 3.03 -3.28 0.00 3.72 -1.26 -4.94 117.46 109.68 2f54 n PHE 190 Ca -0.10 -2.70 -0.38 0.00 -0.05 0.00 0.00 57.45 54.22 2f54 n PHE 190 Cb 0.32 -1.34 -0.06 0.00 -0.94 0.00 0.00 39.48 37.46 2f54 n PHE 190 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 2f54 s ASN 191 N -1.41 6.72 0.32 4.37 3.04 -1.20 -4.57 114.94 122.22 2f54 s ASN 191 Ca 0.59 0.86 0.00 0.00 0.04 0.00 0.00 52.86 54.35 2f54 s ASN 191 Cb 0.47 -2.30 0.00 0.00 -1.54 0.00 0.00 41.25 37.88 2f54 s ASN 191 CO -0.16 -0.01 0.00 0.59 -3.04 0.00 0.00 177.10 174.47 2f54 n ASN 192 N 3.68 -3.85 0.00 -4.21 4.13 -1.26 -4.42 115.26 109.34 2f54 n ASN 192 Ca -0.06 0.45 0.00 0.00 1.68 0.00 0.00 54.58 56.65 2f54 n ASN 192 Cb 0.52 -1.41 0.00 0.00 -1.54 0.00 0.00 39.78 37.34 2f54 n ASN 192 CO 0.00 0.00 0.00 -1.20 0.28 0.00 0.00 177.26 176.34 2f54 n SER 193 N -4.00 0.00 -4.22 6.41 7.64 -1.26 -4.60 113.62 113.58 2f54 n SER 193 Ca 0.00 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.61 2f54 n SER 193 Cb 0.19 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.24 2f54 n SER 193 CO 0.00 0.00 0.00 -0.51 -3.01 0.00 0.00 175.04 171.52 2f54 s ILE 194 N 0.00 1.65 -0.40 0.44 2.07 -1.26 -4.40 121.20 119.30 2f54 s ILE 194 Ca 0.00 -0.89 -0.12 0.00 -1.41 0.00 0.00 60.65 58.23 2f54 s ILE 194 Cb 0.00 -1.38 0.04 0.00 0.13 0.00 0.00 42.46 41.26 2f54 s ILE 194 CO 0.00 0.47 0.25 0.27 -1.91 0.00 0.00 174.94 174.02 2f54 s ILE 195 N -0.47 4.64 -0.00 2.00 -4.36 -1.26 -4.61 121.20 117.13 2f54 s ILE 195 Ca 0.07 -1.00 -0.07 0.00 -0.26 0.00 0.00 60.65 59.39 2f54 s ILE 195 Cb -0.08 -3.67 -0.04 0.00 1.25 0.00 0.00 42.46 39.91 2f54 s ILE 195 CO -0.01 -0.35 0.65 -0.65 0.24 0.00 0.00 174.94 174.82 2f54 h PRO 196 N 8.49 -0.25 0.00 0.37 0.11 -1.94 -3.44 132.00 135.34 2f54 h PRO 196 Ca -0.25 0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.87 2f54 h PRO 196 Cb 1.10 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2f54 h PRO 196 CO 0.72 -0.17 0.00 0.39 -0.21 0.00 0.00 178.00 178.73 2f54 n GLU 197 N -3.14 0.00 -2.53 1.05 1.02 -1.26 -4.86 120.64 110.92 2f54 n GLU 197 Ca -0.03 0.00 -0.43 0.00 -0.02 0.00 0.00 57.16 56.68 2f54 n GLU 197 Cb 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.53 2f54 n GLU 197 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2f54 n ASP 198 N 1.58 5.19 -4.48 1.62 9.92 -1.26 -4.97 116.55 124.15 2f54 n ASP 198 Ca 0.00 -3.10 -0.28 0.00 -0.53 0.00 0.00 54.79 50.89 2f54 n ASP 198 Cb 0.00 -1.49 0.14 0.00 -0.64 0.00 0.00 41.12 39.13 2f54 n ASP 198 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2f54 s THR 199 N 0.47 2.08 -0.28 -3.53 -4.23 -1.26 -4.95 115.64 103.94 2f54 s THR 199 Ca 0.40 -0.19 -0.11 0.00 -1.18 0.00 0.00 61.69 60.61 2f54 s THR 199 Cb 0.06 -2.89 -0.05 0.00 1.34 0.00 0.00 72.50 70.96 2f54 s THR 199 CO 0.01 0.00 0.19 0.12 -0.54 0.00 0.00 174.62 174.40 2f54 s PHE 200 N -3.57 3.22 -0.51 3.99 5.36 -0.62 -4.96 117.98 120.89 2f54 s PHE 200 Ca 0.68 0.12 -0.02 0.00 -0.96 0.00 0.00 56.93 56.75 2f54 s PHE 200 Cb -0.06 -2.37 0.13 0.00 -0.34 0.00 0.00 43.02 40.38 2f54 s PHE 200 CO 0.49 -0.15 0.30 -0.06 -1.46 0.00 0.00 175.22 174.34 2f54 s PHE 201 N 1.73 3.49 0.14 10.12 0.08 -1.26 -2.22 117.98 130.06 2f54 s PHE 201 Ca 0.07 -2.65 -0.34 0.00 0.12 0.00 0.00 56.93 54.13 2f54 s PHE 201 Cb -0.16 -3.16 -0.16 0.00 -0.57 0.00 0.00 43.02 38.97 2f54 s PHE 201 CO 0.11 -0.89 1.28 -2.30 -0.10 0.00 0.00 175.22 173.32 2f54 n PRO 202 N 3.96 1.30 -3.57 0.24 -0.02 -1.26 -4.92 135.00 130.72 2f54 n PRO 202 Ca 0.03 0.46 -0.40 0.00 -2.02 0.00 0.00 63.50 61.57 2f54 n PRO 202 Cb 0.39 -2.05 -0.08 0.00 -0.02 0.00 0.00 33.50 31.74 2f54 n PRO 202 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2f54 s SER 203 N 0.28 5.73 -1.45 2.55 0.15 -1.26 -4.99 113.70 114.71 2f54 s SER 203 Ca 0.78 -2.26 -0.11 0.00 0.70 0.00 0.00 55.95 55.05 2f54 s SER 203 Cb -0.87 -1.99 0.04 0.00 -1.71 0.00 0.00 66.02 61.49 2f54 s SER 203 CO 0.49 -0.59 2.37 -0.81 1.20 0.00 0.00 173.24 175.89 2f54 n PRO 204 N 4.41 3.44 0.00 5.44 -0.04 -1.26 -5.31 135.00 141.68 2f54 n PRO 204 Ca -0.01 -2.79 0.05 0.00 -0.04 0.00 0.00 63.50 60.71 2f54 n PRO 204 Cb 0.41 -3.01 0.29 0.00 -0.04 0.00 0.00 33.50 31.15 2f54 n PRO 204 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55