#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vr7 s SER 3 N 0.00 -0.31 0.29 -5.58 1.04 -1.26 -0.82 113.70 107.05 1vr7 s SER 3 Ca 0.00 -0.28 0.03 0.00 0.48 0.00 0.00 55.95 56.19 1vr7 s SER 3 Cb 0.00 0.52 0.44 0.00 0.10 0.00 0.00 66.02 67.08 1vr7 s SER 3 CO 0.00 -0.91 1.73 -0.07 0.98 0.00 0.00 173.24 174.97 1vr7 h LEU 4 N 2.26 0.44 -8.27 2.42 3.38 -0.49 -3.46 115.31 111.58 1vr7 h LEU 4 Ca -0.33 -0.15 -0.09 0.00 0.09 0.00 0.00 57.88 57.40 1vr7 h LEU 4 Cb 1.27 -0.12 -0.11 0.00 0.09 0.00 0.00 40.66 41.79 1vr7 h LEU 4 CO 0.43 0.70 -0.23 -0.83 0.09 0.00 0.00 178.44 178.61 1vr7 s GLY 5 N -4.04 0.67 -0.06 0.83 0.00 -0.50 -3.29 107.32 100.94 1vr7 s GLY 5 Ca -0.06 -1.01 0.04 0.00 0.00 0.00 0.00 44.72 43.69 1vr7 s GLY 5 CO 0.78 -0.78 -0.20 0.50 0.00 0.00 0.00 173.10 173.41 1vr7 s ARG 6 N -4.03 2.20 -0.11 2.90 0.52 -0.17 -1.13 118.95 119.13 1vr7 s ARG 6 Ca 0.24 -0.70 -0.02 0.00 -0.52 0.00 0.00 55.73 54.74 1vr7 s ARG 6 Cb 0.01 -1.82 0.04 0.00 0.52 0.00 0.00 34.95 33.70 1vr7 s ARG 6 CO 0.08 0.22 0.02 -1.58 0.02 0.00 0.00 175.30 174.07 1vr7 s HIS 7 N 0.16 0.72 -0.26 -0.53 2.46 -0.28 -0.88 115.29 116.69 1vr7 s HIS 7 Ca -0.09 -0.36 -0.14 0.00 0.47 0.00 0.00 55.06 54.94 1vr7 s HIS 7 Cb -0.14 -0.85 -0.04 0.00 -0.13 0.00 0.00 32.58 31.42 1vr7 s HIS 7 CO 0.04 -0.41 0.35 -0.51 -2.47 0.00 0.00 174.74 171.74 1vr7 s LEU 8 N 1.96 4.06 -0.45 8.88 1.43 0.13 -0.30 118.68 134.38 1vr7 s LEU 8 Ca 0.03 0.29 -0.12 0.00 -1.03 0.00 0.00 54.13 53.31 1vr7 s LEU 8 Cb -0.14 -2.40 0.08 0.00 0.03 0.00 0.00 46.19 43.76 1vr7 s LEU 8 CO -0.06 -0.14 0.32 -0.69 0.23 0.00 0.00 176.35 176.01 1vr7 s VAL 9 N 1.86 4.65 -0.06 -1.59 1.01 0.26 -0.89 120.40 125.64 1vr7 s VAL 9 Ca 0.15 -1.29 0.06 0.00 0.00 0.00 0.00 61.98 60.90 1vr7 s VAL 9 Cb -0.15 -3.83 -0.01 0.00 0.00 0.00 0.00 36.38 32.39 1vr7 s VAL 9 CO 0.09 -0.56 -0.24 0.00 0.00 0.00 0.00 175.10 174.40 1vr7 s ALA 10 N 1.51 2.21 -0.26 5.51 0.00 0.34 -1.42 121.76 129.65 1vr7 s ALA 10 Ca 0.03 -1.04 -0.09 0.00 0.00 0.00 0.00 51.96 50.87 1vr7 s ALA 10 Cb -0.24 -0.70 -0.04 0.00 0.00 0.00 0.00 23.12 22.14 1vr7 s ALA 10 CO 0.04 0.42 0.11 -1.21 0.00 0.00 0.00 175.76 175.12 1vr7 s GLU 11 N -0.20 3.77 -0.20 0.00 0.41 0.59 -1.28 118.70 121.78 1vr7 s GLU 11 Ca -0.02 -0.42 -0.04 0.00 -0.41 0.00 0.00 54.97 54.07 1vr7 s GLU 11 Cb -0.13 -3.43 -0.02 0.00 -1.78 0.00 0.00 34.13 28.76 1vr7 s GLU 11 CO 0.03 -0.17 -0.02 -0.06 -0.49 0.00 0.00 175.26 174.56 1vr7 s PHE 12 N 1.61 3.01 0.13 1.61 2.99 -0.41 -1.53 117.98 125.39 1vr7 s PHE 12 Ca 0.06 -0.56 0.09 0.00 0.00 0.00 0.00 56.93 56.52 1vr7 s PHE 12 Cb -0.15 -2.07 -0.04 0.00 0.00 0.00 0.00 43.02 40.76 1vr7 s PHE 12 CO 0.06 -0.30 -0.18 0.71 -0.00 0.00 0.00 175.22 175.51 1vr7 s TYR 13 N 1.04 2.51 -1.30 0.36 2.02 -0.09 -1.36 117.35 120.53 1vr7 s TYR 13 Ca 0.01 -0.27 -0.05 0.00 -0.37 0.00 0.00 57.07 56.39 1vr7 s TYR 13 Cb -0.14 -1.31 0.01 0.00 -0.40 0.00 0.00 41.96 40.12 1vr7 s TYR 13 CO 0.01 0.41 1.06 0.39 -1.57 0.00 0.00 175.55 175.85 1vr7 n GLU 14 N 0.64 -7.02 -1.81 -0.62 1.02 -0.78 -1.60 120.64 110.45 1vr7 n GLU 14 Ca -0.15 0.80 -0.29 0.00 -0.02 0.00 0.00 57.16 57.50 1vr7 n GLU 14 Cb 0.53 -5.80 0.08 0.00 -0.02 0.00 0.00 31.44 26.24 1vr7 n GLU 14 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1vr7 s ASP 16 N -4.36 6.24 0.42 0.00 -1.08 0.41 -4.77 116.67 113.53 1vr7 s ASP 16 Ca 0.61 1.65 0.21 0.00 -0.52 0.00 0.00 52.55 54.50 1vr7 s ASP 16 Cb -0.12 -2.53 0.90 0.00 -1.46 0.00 0.00 42.92 39.71 1vr7 s ASP 16 CO 0.51 -1.37 1.83 0.03 0.52 0.00 0.00 175.17 176.70 1vr7 h ARG 17 N 11.37 0.00 -0.17 4.34 3.08 -1.89 -1.62 114.38 129.48 1vr7 h ARG 17 Ca -0.35 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.49 1vr7 h ARG 17 Cb 1.17 0.00 0.01 0.00 0.08 0.00 0.00 29.97 31.22 1vr7 h ARG 17 CO 1.00 0.29 -0.71 0.93 -1.07 0.00 0.00 179.97 180.40 1vr7 h GLU 18 N 0.00 0.74 -0.52 0.04 4.39 -1.93 -2.78 114.58 114.53 1vr7 h GLU 18 Ca -0.00 -0.57 0.02 0.00 0.34 0.00 0.00 59.36 59.15 1vr7 h GLU 18 Cb 0.72 0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.45 1vr7 h GLU 18 CO 0.04 1.18 0.31 0.28 -1.16 0.00 0.00 179.01 179.66 1vr7 h VAL 19 N 0.52 1.06 -0.03 3.13 2.07 -1.78 -2.29 116.25 118.95 1vr7 h VAL 19 Ca -0.03 -0.21 0.01 0.00 0.82 0.00 0.00 66.70 67.28 1vr7 h VAL 19 Cb 1.32 0.38 -0.00 0.00 -1.52 0.00 0.00 31.29 31.48 1vr7 h VAL 19 CO 0.14 0.11 0.03 -0.07 0.02 0.00 0.00 177.57 177.81 1vr7 h LEU 20 N 0.62 0.00 -3.08 2.57 3.38 -1.22 -1.77 115.31 115.81 1vr7 h LEU 20 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1vr7 h LEU 20 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 1vr7 h LEU 20 CO -0.09 0.00 0.00 -0.67 0.09 0.00 0.00 178.44 177.77 1vr7 n ASP 21 N -3.71 4.10 -4.17 -0.43 2.03 -0.87 -4.11 116.55 109.39 1vr7 n ASP 21 Ca -0.02 -2.43 -0.39 0.00 0.52 0.00 0.00 54.79 52.47 1vr7 n ASP 21 Cb 0.12 -0.48 -0.09 0.00 -0.72 0.00 0.00 41.12 39.94 1vr7 n ASP 21 CO 0.00 0.00 0.00 0.21 -1.92 0.00 0.00 177.20 175.49 1vr7 s ASN 22 N -1.14 5.54 0.27 1.67 3.84 -0.67 -4.85 114.94 119.60 1vr7 s ASN 22 Ca 0.42 -2.06 0.00 0.00 0.21 0.00 0.00 52.86 51.43 1vr7 s ASN 22 Cb 0.28 -1.94 0.38 0.00 -0.55 0.00 0.00 41.25 39.41 1vr7 s ASN 22 CO 0.20 -0.61 1.73 1.62 -2.79 0.00 0.00 177.10 177.25 1vr7 h VAL 23 N 6.10 1.25 -0.40 -5.21 3.04 -1.89 -0.20 116.25 118.93 1vr7 h VAL 23 Ca -0.16 -1.15 -0.05 0.00 -1.01 0.00 0.00 66.70 64.34 1vr7 h VAL 23 Cb 1.05 1.15 -0.02 0.00 -2.01 0.00 0.00 31.29 31.47 1vr7 h VAL 23 CO 0.79 0.38 0.06 -0.61 -1.01 0.00 0.00 177.57 177.18 1vr7 h GLN 24 N 0.56 0.66 -0.27 4.17 4.15 -1.96 -1.45 115.11 120.97 1vr7 h GLN 24 Ca 0.09 -0.18 -0.16 0.00 0.77 0.00 0.00 58.65 59.18 1vr7 h GLN 24 Cb 0.58 -0.08 -0.00 0.00 0.21 0.00 0.00 27.48 28.19 1vr7 h GLN 24 CO 0.04 0.72 -0.44 1.25 -1.93 0.00 0.00 178.83 178.47 1vr7 h LEU 25 N 0.51 0.86 -0.38 -2.39 5.85 -1.85 -1.74 115.31 116.17 1vr7 h LEU 25 Ca 0.12 -0.52 0.02 0.00 0.84 0.00 0.00 57.88 58.34 1vr7 h LEU 25 Cb 0.38 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1vr7 h LEU 25 CO 0.01 1.22 0.21 0.40 -0.34 0.00 0.00 178.44 179.94 1vr7 h ILE 26 N 0.53 1.02 -0.23 4.05 1.08 -1.01 -0.12 117.51 122.84 1vr7 h ILE 26 Ca 0.02 -0.15 0.05 0.00 -0.39 0.00 0.00 64.86 64.39 1vr7 h ILE 26 Cb 1.04 0.55 -0.04 0.00 -3.07 0.00 0.00 36.82 35.30 1vr7 h ILE 26 CO 0.10 0.08 -0.06 -0.08 -0.69 0.00 0.00 178.15 177.50 1vr7 h GLU 27 N 0.43 -0.00 -0.75 2.37 4.81 -1.17 -2.64 114.58 117.63 1vr7 h GLU 27 Ca 0.15 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.44 1vr7 h GLU 27 Cb 0.02 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 29.35 1vr7 h GLU 27 CO -0.08 -0.00 0.44 0.37 -0.73 0.00 0.00 179.01 179.01 1vr7 h GLN 28 N -0.00 0.79 -1.26 1.92 4.15 -0.89 -1.01 115.11 118.80 1vr7 h GLN 28 Ca 0.11 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1vr7 h GLN 28 Cb 0.17 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 27.68 1vr7 h GLN 28 CO -0.24 0.52 0.00 0.39 -1.93 0.00 0.00 178.83 177.57 1vr7 n GLU 29 N -4.71 0.74 0.00 1.69 -0.58 -0.10 -0.97 120.64 116.71 1vr7 n GLU 29 Ca 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.84 1vr7 n GLU 29 Cb 0.17 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 29.91 1vr7 n GLU 29 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1vr7 n LYS 31 N 0.64 0.00 -0.27 3.49 5.02 -0.38 -0.81 118.16 125.85 1vr7 n LYS 31 Ca 0.00 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.27 1vr7 n LYS 31 Cb 0.37 0.00 0.10 0.00 -0.02 0.00 0.00 35.03 35.48 1vr7 n LYS 31 CO 0.00 0.00 0.00 0.37 -0.52 0.00 0.00 177.40 177.25 1vr7 h GLN 32 N 0.00 0.84 -0.71 1.97 5.75 -1.30 -1.20 115.11 120.46 1vr7 h GLN 32 Ca 0.00 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.45 1vr7 h GLN 32 Cb 0.00 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.33 1vr7 h GLN 32 CO 0.00 0.55 0.45 0.00 -2.65 0.00 0.00 178.83 177.18 1vr7 h ALA 33 N 1.34 0.90 -0.37 3.38 0.00 -1.23 0.15 119.26 123.43 1vr7 h ALA 33 Ca 0.32 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 55.17 1vr7 h ALA 33 Cb 0.10 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1vr7 h ALA 33 CO -0.15 0.35 0.22 0.00 0.00 0.00 0.00 179.25 179.68 1vr7 h ALA 34 N 1.24 0.47 -0.53 0.00 0.00 -1.69 -1.85 119.26 116.90 1vr7 h ALA 34 Ca 0.26 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.20 1vr7 h ALA 34 Cb -0.08 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 17.55 1vr7 h ALA 34 CO -0.05 -0.11 0.27 1.88 0.00 0.00 0.00 179.25 181.24 1vr7 h TYR 35 N 0.46 0.50 -0.54 0.00 0.05 -0.52 -2.10 116.97 114.81 1vr7 h TYR 35 Ca 0.15 0.02 -0.01 0.00 0.05 0.00 0.00 58.73 58.94 1vr7 h TYR 35 Cb -0.01 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.56 1vr7 h TYR 35 CO -0.07 0.24 0.30 0.93 -1.05 0.00 0.00 178.16 178.52 1vr7 h GLU 36 N 0.52 0.74 0.00 4.88 4.39 -0.66 -1.59 114.58 122.86 1vr7 h GLU 36 Ca 0.24 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.87 1vr7 h GLU 36 Cb 0.14 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1vr7 h GLU 36 CO -0.16 0.54 0.00 0.66 -1.16 0.00 0.00 179.01 178.89 1vr7 h SER 37 N 0.75 0.00 0.00 1.42 4.64 -0.67 -3.44 113.55 116.24 1vr7 h SER 37 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1vr7 h SER 37 Cb 0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1vr7 h SER 37 CO -0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.54 1vr7 n GLY 38 N 0.25 0.74 3.82 -0.77 0.00 -0.60 -1.23 105.19 107.40 1vr7 n GLY 38 Ca 0.01 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.71 1vr7 n GLY 38 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1vr7 s ALA 39 N -2.50 2.89 -0.19 4.61 0.00 -1.06 -4.84 121.76 120.67 1vr7 s ALA 39 Ca 0.00 0.32 -0.15 0.00 0.00 0.00 0.00 51.96 52.13 1vr7 s ALA 39 Cb 0.00 -3.18 -0.04 0.00 0.00 0.00 0.00 23.12 19.90 1vr7 s ALA 39 CO 0.00 -0.52 0.36 0.99 0.00 0.00 0.00 175.76 176.59 1vr7 s THR 40 N -2.49 5.24 0.00 0.00 2.01 -1.26 -4.60 115.64 114.54 1vr7 s THR 40 Ca 0.62 0.63 -0.29 0.00 0.31 0.00 0.00 61.69 62.96 1vr7 s THR 40 Cb -0.13 -3.69 -0.04 0.00 0.01 0.00 0.00 72.50 68.65 1vr7 s THR 40 CO 0.33 0.29 0.92 -0.63 -0.69 0.00 0.00 174.62 174.85 1vr7 s ILE 41 N 1.07 4.85 -0.24 1.82 1.01 -1.26 -2.58 121.20 125.87 1vr7 s ILE 41 Ca 0.18 1.94 -0.17 0.00 0.00 0.00 0.00 60.65 62.60 1vr7 s ILE 41 Cb -0.14 -4.27 -0.14 0.00 0.01 0.00 0.00 42.46 37.92 1vr7 s ILE 41 CO 0.07 0.20 -0.14 0.52 0.00 0.00 0.00 174.94 175.59 1vr7 n VAL 42 N 3.72 1.52 -3.75 2.92 0.31 0.37 -4.94 118.33 118.48 1vr7 n VAL 42 Ca 0.04 -0.19 -0.10 0.00 -0.01 0.00 0.00 64.34 64.09 1vr7 n VAL 42 Cb 0.51 -2.00 -0.04 0.00 -0.91 0.00 0.00 33.84 31.40 1vr7 n VAL 42 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1vr7 s THR 43 N -2.47 0.03 -0.03 2.52 -1.32 -1.12 -5.01 115.64 108.24 1vr7 s THR 43 Ca -0.33 -0.82 -0.02 0.00 -1.21 0.00 0.00 61.69 59.31 1vr7 s THR 43 Cb 0.10 -1.58 0.01 0.00 -1.51 0.00 0.00 72.50 69.53 1vr7 s THR 43 CO 0.51 -0.14 0.07 -0.94 -2.21 0.00 0.00 174.62 171.91 1vr7 s SER 44 N -2.88 -0.05 -0.11 8.08 1.04 -1.26 -0.86 113.70 117.67 1vr7 s SER 44 Ca 0.10 0.13 -0.05 0.00 0.48 0.00 0.00 55.95 56.61 1vr7 s SER 44 Cb -0.00 0.11 0.05 0.00 0.10 0.00 0.00 66.02 66.27 1vr7 s SER 44 CO -0.03 -0.05 0.24 0.28 0.98 0.00 0.00 173.24 174.66 1vr7 s THR 45 N 0.31 -0.09 -0.03 2.02 -1.32 -0.00 -5.01 115.64 111.51 1vr7 s THR 45 Ca -0.02 0.17 0.04 0.00 -1.21 0.00 0.00 61.69 60.67 1vr7 s THR 45 Cb -0.03 -0.38 -0.00 0.00 -1.51 0.00 0.00 72.50 70.57 1vr7 s THR 45 CO -0.01 0.07 -0.14 -0.36 -2.21 0.00 0.00 174.62 171.97 1vr7 s PHE 46 N 1.43 1.33 -0.01 9.09 0.08 -1.26 -1.09 117.98 127.55 1vr7 s PHE 46 Ca -0.08 -0.32 0.01 0.00 0.12 0.00 0.00 56.93 56.66 1vr7 s PHE 46 Cb -0.11 -0.90 0.00 0.00 -0.57 0.00 0.00 43.02 41.45 1vr7 s PHE 46 CO -0.08 -0.09 -0.05 -1.01 -0.10 0.00 0.00 175.22 173.88 1vr7 s HIS 47 N -0.05 0.50 -0.18 0.36 3.76 0.35 -5.01 115.29 115.01 1vr7 s HIS 47 Ca -0.00 -0.10 0.01 0.00 -0.15 0.00 0.00 55.06 54.82 1vr7 s HIS 47 Cb -0.08 -0.36 0.04 0.00 1.11 0.00 0.00 32.58 33.28 1vr7 s HIS 47 CO 0.01 -0.04 -0.11 0.50 -0.85 0.00 0.00 174.74 174.25 1vr7 s ARG 48 N 0.10 2.04 -0.27 1.40 3.52 -1.26 -1.11 118.95 123.37 1vr7 s ARG 48 Ca -0.01 -0.75 -0.01 0.00 -0.13 0.00 0.00 55.73 54.83 1vr7 s ARG 48 Cb -0.05 -2.31 0.14 0.00 -1.56 0.00 0.00 34.95 31.17 1vr7 s ARG 48 CO -0.00 -0.39 0.33 -0.59 -0.81 0.00 0.00 175.30 173.84 1vr7 s PHE 49 N 1.44 -0.63 0.00 5.12 -0.00 -1.15 -5.03 117.98 117.73 1vr7 s PHE 49 Ca 0.00 0.13 0.00 0.00 -0.00 0.00 0.00 56.93 57.06 1vr7 s PHE 49 Cb -0.15 -0.31 0.00 0.00 -0.00 0.00 0.00 43.02 42.56 1vr7 s PHE 49 CO -0.09 -0.87 0.00 1.47 -0.00 0.00 0.00 175.22 175.73 1vr7 n LEU 50 N 5.33 0.00 0.00 -1.99 -0.00 -1.26 -4.72 117.00 114.36 1vr7 n LEU 50 Ca -0.02 0.05 0.13 0.00 -0.00 0.00 0.00 56.01 56.18 1vr7 n LEU 50 Cb 0.48 -1.46 0.79 0.00 -0.00 0.00 0.00 43.42 43.23 1vr7 n LEU 50 CO 0.02 0.00 1.00 -0.81 -0.00 0.00 0.00 177.39 177.60 1vr7 n PRO 51 N -0.89 0.97 -3.20 1.47 -0.04 -1.26 -4.83 135.00 127.22 1vr7 n PRO 51 Ca 0.00 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.40 1vr7 n PRO 51 Cb 0.00 -1.43 0.02 0.00 -0.04 0.00 0.00 33.50 32.05 1vr7 n PRO 51 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 1vr7 n TYR 52 N -0.93 -1.87 0.00 0.54 4.11 -1.26 -5.17 117.16 112.58 1vr7 n TYR 52 Ca 0.20 -1.35 0.00 0.00 -0.00 0.00 0.00 57.90 56.75 1vr7 n TYR 52 Cb 0.09 0.67 0.00 0.00 -0.00 0.00 0.00 39.34 40.10 1vr7 n TYR 52 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 1vr7 n GLY 53 N -0.45 1.27 3.32 -7.48 0.00 -1.26 -4.40 105.19 96.19 1vr7 n GLY 53 Ca -0.06 -1.44 -0.32 0.00 0.00 0.00 0.00 46.02 44.21 1vr7 n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1vr7 s VAL 54 N -0.69 2.28 -0.05 1.61 1.01 -1.25 -2.95 120.40 120.36 1vr7 s VAL 54 Ca 0.00 -1.00 0.06 0.00 0.00 0.00 0.00 61.98 61.04 1vr7 s VAL 54 Cb 0.00 -1.83 -0.01 0.00 0.00 0.00 0.00 36.38 34.54 1vr7 s VAL 54 CO 0.00 0.57 -0.24 -0.44 0.00 0.00 0.00 175.10 175.00 1vr7 s SER 55 N -0.39 2.88 -0.04 3.32 0.01 -0.27 -0.59 113.70 118.63 1vr7 s SER 55 Ca 0.03 -0.47 -0.06 0.00 1.31 0.00 0.00 55.95 56.76 1vr7 s SER 55 Cb -0.12 -0.68 0.01 0.00 0.21 0.00 0.00 66.02 65.44 1vr7 s SER 55 CO 0.02 0.24 0.15 -0.83 0.41 0.00 0.00 173.24 173.23 1vr7 s GLY 56 N -0.23 -0.05 -0.04 3.44 0.00 0.29 -0.50 107.32 110.22 1vr7 s GLY 56 Ca -0.00 0.21 0.02 0.00 0.00 0.00 0.00 44.72 44.95 1vr7 s GLY 56 CO 0.02 0.12 -0.10 0.14 0.00 0.00 0.00 173.10 173.28 1vr7 s VAL 57 N -0.47 0.94 -0.36 1.40 1.01 -0.25 -1.18 120.40 121.49 1vr7 s VAL 57 Ca -0.06 -0.41 -0.05 0.00 0.00 0.00 0.00 61.98 61.47 1vr7 s VAL 57 Cb -0.04 -0.86 0.07 0.00 0.00 0.00 0.00 36.38 35.56 1vr7 s VAL 57 CO 0.01 0.30 0.14 -0.69 0.00 0.00 0.00 175.10 174.85 1vr7 s VAL 58 N 0.45 3.51 -0.06 2.92 1.01 0.28 -0.82 120.40 127.68 1vr7 s VAL 58 Ca -0.09 -1.52 -0.30 0.00 0.00 0.00 0.00 61.98 60.07 1vr7 s VAL 58 Cb -0.12 -3.15 -0.03 0.00 0.00 0.00 0.00 36.38 33.07 1vr7 s VAL 58 CO 0.02 -0.37 1.23 -0.69 0.00 0.00 0.00 175.10 175.28 1vr7 s VAL 59 N 1.29 4.19 0.46 2.92 1.01 -0.04 -0.86 120.40 129.38 1vr7 s VAL 59 Ca 0.01 1.52 0.03 0.00 0.00 0.00 0.00 61.98 63.54 1vr7 s VAL 59 Cb -0.21 -3.98 0.03 0.00 0.00 0.00 0.00 36.38 32.22 1vr7 s VAL 59 CO -0.00 -0.01 0.23 2.30 0.00 0.00 0.00 175.10 177.61 1vr7 n ILE 60 N 4.68 0.00 -0.33 2.22 -5.35 -0.50 -0.48 119.36 119.61 1vr7 n ILE 60 Ca 0.11 -1.94 0.02 0.00 -0.27 0.00 0.00 62.75 60.67 1vr7 n ILE 60 Cb 0.46 0.09 0.08 0.00 -1.74 0.00 0.00 39.64 38.52 1vr7 n ILE 60 CO 0.00 0.00 0.00 -1.20 -1.76 0.00 0.00 176.55 173.59 1vr7 n SER 61 N -1.65 -0.46 -1.44 7.28 7.64 -1.07 -2.88 113.62 121.04 1vr7 n SER 61 Ca -0.08 1.54 0.02 0.00 1.01 0.00 0.00 58.87 61.37 1vr7 n SER 61 Cb 0.54 -0.40 0.01 0.00 -1.01 0.00 0.00 64.21 63.35 1vr7 n SER 61 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 1vr7 n GLU 62 N -5.37 0.01 0.00 1.43 0.28 -1.26 -5.04 120.64 110.69 1vr7 n GLU 62 Ca 0.11 -1.86 0.00 0.00 -0.16 0.00 0.00 57.16 55.25 1vr7 n GLU 62 Cb 0.40 0.06 0.00 0.00 1.43 0.00 0.00 31.44 33.33 1vr7 n GLU 62 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1vr7 n SER 63 N 0.42 0.00 -3.64 -1.84 3.41 -1.14 -4.95 113.62 105.87 1vr7 n SER 63 Ca 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 58.87 58.50 1vr7 n SER 63 Cb 1.08 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.97 1vr7 n SER 63 CO 0.00 0.00 0.00 -1.38 -0.16 0.00 0.00 175.04 173.50 1vr7 s HIS 64 N -2.15 -0.28 -0.13 7.33 -3.43 -1.03 -1.41 115.29 114.19 1vr7 s HIS 64 Ca 0.00 0.20 0.02 0.00 -0.80 0.00 0.00 55.06 54.48 1vr7 s HIS 64 Cb 0.00 0.25 -0.00 0.00 -1.43 0.00 0.00 32.58 31.40 1vr7 s HIS 64 CO 0.00 -0.61 -0.19 -0.51 -2.00 0.00 0.00 174.74 171.43 1vr7 s LEU 65 N -2.15 2.30 0.09 5.38 1.43 -0.04 -0.82 118.68 124.87 1vr7 s LEU 65 Ca -0.04 -0.51 0.03 0.00 -1.03 0.00 0.00 54.13 52.59 1vr7 s LEU 65 Cb -0.00 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 1vr7 s LEU 65 CO -0.04 0.12 -0.10 0.42 0.23 0.00 0.00 176.35 176.99 1vr7 s THR 66 N 0.57 0.88 -0.07 5.49 -4.23 0.01 -0.56 115.64 117.73 1vr7 s THR 66 Ca -0.11 -1.61 -0.05 0.00 -1.18 0.00 0.00 61.69 58.73 1vr7 s THR 66 Cb -0.16 -1.32 0.03 0.00 1.34 0.00 0.00 72.50 72.38 1vr7 s THR 66 CO 0.04 -0.57 0.17 -0.51 -0.54 0.00 0.00 174.62 173.21 1vr7 s ILE 67 N -2.44 -0.02 -0.08 2.99 2.07 -0.33 -1.41 121.20 121.98 1vr7 s ILE 67 Ca 0.05 0.07 -0.00 0.00 -1.41 0.00 0.00 60.65 59.35 1vr7 s ILE 67 Cb -0.03 -0.26 0.02 0.00 0.13 0.00 0.00 42.46 42.33 1vr7 s ILE 67 CO -0.00 0.03 -0.05 -1.00 -1.91 0.00 0.00 174.94 172.01 1vr7 s HIS 68 N 0.56 1.05 0.12 3.50 3.76 -0.52 -0.55 115.29 123.21 1vr7 s HIS 68 Ca -0.04 -0.42 0.06 0.00 -0.15 0.00 0.00 55.06 54.51 1vr7 s HIS 68 Cb -0.05 -0.96 -0.04 0.00 1.11 0.00 0.00 32.58 32.64 1vr7 s HIS 68 CO -0.03 -0.37 0.00 0.95 -0.85 0.00 0.00 174.74 174.45 1vr7 s THR 69 N 1.57 3.91 -0.58 1.30 -4.23 0.24 -0.95 115.64 116.90 1vr7 s THR 69 Ca 0.00 -1.14 0.04 0.00 -1.18 0.00 0.00 61.69 59.41 1vr7 s THR 69 Cb -0.13 -2.90 0.17 0.00 1.34 0.00 0.00 72.50 70.97 1vr7 s THR 69 CO -0.05 0.04 0.42 0.26 -0.54 0.00 0.00 174.62 174.75 1vr7 s TRP 70 N -1.45 2.58 0.42 3.99 0.51 -0.17 -3.88 118.94 120.94 1vr7 s TRP 70 Ca 0.26 -2.91 0.16 0.00 -2.12 0.00 0.00 56.10 51.49 1vr7 s TRP 70 Cb -0.11 -2.02 1.05 0.00 -0.81 0.00 0.00 33.47 31.58 1vr7 s TRP 70 CO 0.18 -0.67 1.89 -1.35 -0.51 0.00 0.00 176.95 176.50 1vr7 h PRO 71 N 5.61 0.41 0.00 4.98 0.11 -1.85 -0.64 132.00 140.62 1vr7 h PRO 71 Ca 0.17 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1vr7 h PRO 71 Cb 0.82 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.84 1vr7 h PRO 71 CO 0.58 0.27 0.00 -0.85 -0.21 0.00 0.00 178.00 177.79 1vr7 n GLU 72 N -4.50 0.19 0.00 1.05 0.00 -1.26 -2.27 120.64 113.85 1vr7 n GLU 72 Ca 0.17 0.43 0.04 0.00 0.00 0.00 0.00 57.16 57.80 1vr7 n GLU 72 Cb 0.60 -1.87 0.02 0.00 0.00 0.00 0.00 31.44 30.19 1vr7 n GLU 72 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1vr7 n TYR 73 N -2.22 0.00 -1.45 -1.84 4.01 -0.30 -5.00 117.16 110.36 1vr7 n TYR 73 Ca 0.02 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.61 1vr7 n TYR 73 Cb 0.21 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 39.18 1vr7 n TYR 73 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1vr7 n GLY 74 N 0.65 1.54 3.55 2.72 0.00 -0.89 -4.60 105.19 108.16 1vr7 n GLY 74 Ca 0.04 -0.30 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 1vr7 n GLY 74 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1vr7 s TYR 75 N -2.57 2.82 -0.01 1.61 5.04 -1.14 -0.75 117.35 122.35 1vr7 s TYR 75 Ca 0.00 -0.08 0.02 0.00 -2.44 0.00 0.00 57.07 54.56 1vr7 s TYR 75 Cb 0.00 -1.61 0.00 0.00 0.35 0.00 0.00 41.96 40.71 1vr7 s TYR 75 CO 0.00 0.32 -0.05 0.00 -1.34 0.00 0.00 175.55 174.48 1vr7 s ALA 76 N -0.92 0.47 -0.39 3.97 0.00 -0.46 -1.00 121.76 123.43 1vr7 s ALA 76 Ca 0.15 -0.18 -0.17 0.00 0.00 0.00 0.00 51.96 51.75 1vr7 s ALA 76 Cb -0.11 -0.17 0.01 0.00 0.00 0.00 0.00 23.12 22.86 1vr7 s ALA 76 CO 0.05 0.09 0.46 0.00 0.00 0.00 0.00 175.76 176.35 1vr7 s ALA 77 N 0.08 3.44 -0.06 0.00 0.00 -0.12 -1.29 121.76 123.81 1vr7 s ALA 77 Ca -0.00 -1.32 0.05 0.00 0.00 0.00 0.00 51.96 50.69 1vr7 s ALA 77 Cb -0.04 -3.02 -0.02 0.00 0.00 0.00 0.00 23.12 20.04 1vr7 s ALA 77 CO -0.00 -1.43 -0.21 0.42 0.00 0.00 0.00 175.76 174.54 1vr7 s ILE 78 N 2.23 2.40 -0.07 0.00 1.01 -0.41 -1.44 121.20 124.94 1vr7 s ILE 78 Ca 0.14 -0.95 0.03 0.00 0.00 0.00 0.00 60.65 59.87 1vr7 s ILE 78 Cb -0.16 -1.90 0.01 0.00 0.01 0.00 0.00 42.46 40.41 1vr7 s ILE 78 CO 0.14 0.57 -0.14 -1.81 0.00 0.00 0.00 174.94 173.70 1vr7 s ASP 79 N -0.29 1.97 -0.36 3.58 1.01 -0.50 -0.50 116.67 121.57 1vr7 s ASP 79 Ca 0.01 -0.34 0.01 0.00 0.71 0.00 0.00 52.55 52.94 1vr7 s ASP 79 Cb -0.13 -0.89 0.11 0.00 1.01 0.00 0.00 42.92 43.02 1vr7 s ASP 79 CO 0.03 0.06 0.13 -0.76 0.21 0.00 0.00 175.17 174.84 1vr7 s LEU 80 N 0.58 2.98 -0.29 1.23 1.43 -0.07 -0.81 118.68 123.73 1vr7 s LEU 80 Ca -0.15 -2.08 -0.03 0.00 -1.03 0.00 0.00 54.13 50.84 1vr7 s LEU 80 Cb -0.16 -1.11 0.04 0.00 0.03 0.00 0.00 46.19 45.00 1vr7 s LEU 80 CO 0.04 -0.36 0.00 0.12 0.23 0.00 0.00 176.35 176.39 1vr7 s PHE 81 N 1.03 3.20 0.23 0.29 2.19 0.00 -0.70 117.98 124.23 1vr7 s PHE 81 Ca 0.13 -1.66 0.10 0.00 0.33 0.00 0.00 56.93 55.82 1vr7 s PHE 81 Cb -0.20 -2.12 -0.05 0.00 -1.31 0.00 0.00 43.02 39.34 1vr7 s PHE 81 CO -0.13 -0.76 -0.19 0.95 1.83 0.00 0.00 175.22 176.92 1vr7 s THR 82 N 1.31 2.19 0.05 0.12 -4.23 -0.06 -2.47 115.64 112.55 1vr7 s THR 82 Ca -0.03 -2.23 0.05 0.00 -1.18 0.00 0.00 61.69 58.30 1vr7 s THR 82 Cb -0.19 -2.15 -0.02 0.00 1.34 0.00 0.00 72.50 71.48 1vr7 s THR 82 CO -0.01 -0.39 -0.15 0.00 -0.54 0.00 0.00 174.62 173.52 1vr7 n GLY 84 N 1.78 -2.36 0.19 0.00 0.00 -1.21 -4.60 105.19 98.99 1vr7 n GLY 84 Ca -0.18 -1.31 0.14 0.00 0.00 0.00 0.00 46.02 44.67 1vr7 n GLY 84 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1vr7 h GLU 85 N 0.00 0.00 -0.43 1.61 4.81 -1.97 -2.30 114.58 116.30 1vr7 h GLU 85 Ca 0.00 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.17 1vr7 h GLU 85 Cb 0.00 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1vr7 h GLU 85 CO 0.00 0.00 0.04 -0.25 -0.73 0.00 0.00 179.01 178.07 1vr7 n ASP 86 N -2.65 4.39 -4.39 1.04 10.43 -1.26 -4.85 116.55 119.25 1vr7 n ASP 86 Ca 0.03 -3.11 -0.33 0.00 2.57 0.00 0.00 54.79 53.94 1vr7 n ASP 86 Cb 0.34 -0.62 -0.14 0.00 1.84 0.00 0.00 41.12 42.54 1vr7 n ASP 86 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1vr7 s VAL 87 N -2.89 3.32 -0.31 2.53 1.01 -0.87 -4.71 120.40 118.48 1vr7 s VAL 87 Ca 0.48 -0.56 0.02 0.00 0.00 0.00 0.00 61.98 61.92 1vr7 s VAL 87 Cb 0.38 -2.43 0.08 0.00 0.00 0.00 0.00 36.38 34.41 1vr7 s VAL 87 CO 0.11 0.50 -0.01 -0.62 0.00 0.00 0.00 175.10 175.08 1vr7 s ASP 88 N 0.54 4.71 0.55 3.32 -1.08 -0.37 -4.82 116.67 119.51 1vr7 s ASP 88 Ca -0.06 -1.73 0.32 0.00 -0.52 0.00 0.00 52.55 50.56 1vr7 s ASP 88 Cb -0.15 -1.63 1.52 0.00 -1.46 0.00 0.00 42.92 41.20 1vr7 s ASP 88 CO 0.03 -0.30 2.06 1.55 0.52 0.00 0.00 175.17 179.03 1vr7 h PRO 89 N 7.77 0.00 0.00 4.34 0.13 -1.91 -2.24 132.00 140.08 1vr7 h PRO 89 Ca -0.13 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.98 1vr7 h PRO 89 Cb 1.04 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.16 1vr7 h PRO 89 CO 0.51 0.07 -0.10 -1.49 -0.23 0.00 0.00 178.00 176.77 1vr7 h TRP 90 N 0.00 0.00 -0.03 1.56 4.06 -1.95 -1.24 115.95 118.34 1vr7 h TRP 90 Ca -0.00 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 60.76 1vr7 h TRP 90 Cb 0.40 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.55 1vr7 h TRP 90 CO 0.00 0.10 -0.80 0.87 -3.56 0.00 0.00 178.44 175.04 1vr7 h LYS 91 N 0.00 0.31 -0.22 0.49 1.79 -1.72 -1.19 116.57 116.03 1vr7 h LYS 91 Ca -0.00 -0.29 -0.02 0.00 -2.18 0.00 0.00 60.65 58.16 1vr7 h LYS 91 Cb 0.42 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 31.14 1vr7 h LYS 91 CO 0.01 0.96 0.08 0.00 -1.08 0.00 0.00 179.45 179.42 1vr7 h ALA 92 N 0.95 0.29 -0.39 3.86 0.00 -1.51 -2.13 119.26 120.33 1vr7 h ALA 92 Ca -0.04 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.82 1vr7 h ALA 92 Cb 1.39 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 19.01 1vr7 h ALA 92 CO 0.13 -0.09 -0.17 0.35 0.00 0.00 0.00 179.25 179.47 1vr7 h PHE 93 N 0.20 -0.42 -0.61 0.00 3.57 -1.12 -1.12 116.94 117.44 1vr7 h PHE 93 Ca 0.07 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.62 1vr7 h PHE 93 Cb 0.21 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.17 1vr7 h PHE 93 CO -0.00 -0.25 0.38 1.49 -2.23 0.00 0.00 178.31 177.69 1vr7 h GLU 94 N -0.10 0.81 -0.39 1.11 4.81 -1.10 0.86 114.58 120.59 1vr7 h GLU 94 Ca 0.19 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 1vr7 h GLU 94 Cb 0.40 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.58 1vr7 h GLU 94 CO -0.46 0.57 0.26 1.25 -0.73 0.00 0.00 179.01 179.89 1vr7 h HIS 95 N 0.82 0.50 -0.22 0.92 2.76 -1.01 -2.41 115.15 116.51 1vr7 h HIS 95 Ca 0.22 0.01 -0.15 0.00 -2.20 0.00 0.00 60.37 58.25 1vr7 h HIS 95 Cb -0.05 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.73 1vr7 h HIS 95 CO -0.02 0.32 -0.49 -0.07 -1.30 0.00 0.00 177.93 176.37 1vr7 h LEU 96 N 0.53 0.63 -0.61 0.26 3.38 -0.85 0.03 115.31 118.69 1vr7 h LEU 96 Ca 0.14 -0.32 0.06 0.00 0.09 0.00 0.00 57.88 57.86 1vr7 h LEU 96 Cb -0.05 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 40.46 1vr7 h LEU 96 CO -0.03 1.02 0.32 0.50 0.09 0.00 0.00 178.44 180.34 1vr7 h LYS 97 N 0.46 0.57 -0.06 1.13 3.11 -0.69 -0.51 116.57 120.59 1vr7 h LYS 97 Ca 0.02 -0.03 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 1vr7 h LYS 97 Cb 1.02 -0.13 -0.00 0.00 -1.00 0.00 0.00 32.23 32.12 1vr7 h LYS 97 CO 0.09 0.38 0.01 0.87 -2.81 0.00 0.00 179.45 177.99 1vr7 h LYS 98 N 0.59 0.09 -0.61 1.90 1.57 -1.16 -1.45 116.57 117.51 1vr7 h LYS 98 Ca 0.28 -0.03 -0.05 0.00 -1.87 0.00 0.00 60.65 58.98 1vr7 h LYS 98 Cb 0.20 -0.01 -0.03 0.00 0.08 0.00 0.00 32.23 32.47 1vr7 h LYS 98 CO -0.19 0.34 0.18 0.00 -0.57 0.00 0.00 179.45 179.21 1vr7 h ALA 99 N 0.75 1.16 0.00 3.86 0.00 -0.63 -2.86 119.26 121.55 1vr7 h ALA 99 Ca 0.02 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.72 1vr7 h ALA 99 Cb 0.29 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1vr7 h ALA 99 CO 0.00 0.58 -0.61 1.28 0.00 0.00 0.00 179.25 180.50 1vr7 n LEU 100 N -4.27 0.58 -3.55 0.00 4.32 -0.23 -4.95 117.00 108.89 1vr7 n LEU 100 Ca 0.05 -0.03 -0.24 0.00 -0.02 0.00 0.00 56.01 55.77 1vr7 n LEU 100 Cb 0.22 -0.21 0.07 0.00 -1.62 0.00 0.00 43.42 41.89 1vr7 n LEU 100 CO 0.40 0.11 0.22 0.29 -1.22 0.00 0.00 177.39 177.20 1vr7 n LYS 101 N -1.60 -7.62 -1.97 3.23 5.02 -0.56 -0.45 118.16 114.21 1vr7 n LYS 101 Ca 0.05 0.83 -0.42 0.00 -2.02 0.00 0.00 58.31 56.75 1vr7 n LYS 101 Cb 0.35 -5.87 -0.02 0.00 -0.02 0.00 0.00 35.03 29.47 1vr7 n LYS 101 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vr7 s ALA 102 N -3.31 3.68 -0.59 7.82 0.00 -1.13 -4.28 121.76 123.96 1vr7 s ALA 102 Ca 0.56 1.35 0.22 0.00 0.00 0.00 0.00 51.96 54.10 1vr7 s ALA 102 Cb -0.25 -3.58 -0.05 0.00 0.00 0.00 0.00 23.12 19.24 1vr7 s ALA 102 CO 0.70 -0.77 0.93 1.63 0.00 0.00 0.00 175.76 178.25 1vr7 n LYS 103 N 2.87 0.30 -3.74 0.00 4.76 -0.63 -4.94 118.16 116.78 1vr7 n LYS 103 Ca 0.09 -0.03 -0.13 0.00 -2.87 0.00 0.00 58.31 55.37 1vr7 n LYS 103 Cb 0.40 -1.57 -0.10 0.00 -1.84 0.00 0.00 35.03 31.91 1vr7 n LYS 103 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1vr7 s ARG 104 N -3.21 0.45 0.02 1.97 3.52 -1.18 -5.04 118.95 115.48 1vr7 s ARG 104 Ca 0.03 0.55 0.00 0.00 -0.13 0.00 0.00 55.73 56.18 1vr7 s ARG 104 Cb 0.14 0.20 -0.02 0.00 -1.56 0.00 0.00 34.95 33.72 1vr7 s ARG 104 CO 0.83 -0.06 -0.04 0.14 -0.81 0.00 0.00 175.30 175.36 1vr7 s VAL 105 N 0.28 0.17 -0.07 7.11 -7.23 -1.26 -0.92 120.40 118.49 1vr7 s VAL 105 Ca -0.01 -0.97 0.02 0.00 -1.81 0.00 0.00 61.98 59.21 1vr7 s VAL 105 Cb -0.03 -0.36 0.01 0.00 0.56 0.00 0.00 36.38 36.56 1vr7 s VAL 105 CO -0.00 -0.51 -0.12 -2.28 -0.31 0.00 0.00 175.10 171.88 1vr7 s HIS 106 N -1.56 1.48 -0.05 2.82 2.46 -0.58 -4.99 115.29 114.86 1vr7 s HIS 106 Ca -0.14 -0.57 0.00 0.00 0.47 0.00 0.00 55.06 54.82 1vr7 s HIS 106 Cb -0.09 -1.10 0.02 0.00 -0.13 0.00 0.00 32.58 31.28 1vr7 s HIS 106 CO -0.01 -0.31 -0.03 0.08 -2.47 0.00 0.00 174.74 172.00 1vr7 s VAL 107 N 0.79 0.45 -0.18 0.89 1.01 -1.26 -0.30 120.40 121.80 1vr7 s VAL 107 Ca -0.12 -0.04 -0.08 0.00 0.00 0.00 0.00 61.98 61.73 1vr7 s VAL 107 Cb -0.15 -0.51 -0.04 0.00 0.00 0.00 0.00 36.38 35.67 1vr7 s VAL 107 CO 0.02 0.22 0.09 -0.69 0.00 0.00 0.00 175.10 174.74 1vr7 s VAL 108 N 1.14 5.03 -0.34 2.92 1.01 -0.51 -4.95 120.40 124.69 1vr7 s VAL 108 Ca -0.08 0.05 -0.10 0.00 0.00 0.00 0.00 61.98 61.86 1vr7 s VAL 108 Cb -0.14 -3.27 0.02 0.00 0.00 0.00 0.00 36.38 32.99 1vr7 s VAL 108 CO -0.01 0.47 0.17 -0.70 0.00 0.00 0.00 175.10 175.02 1vr7 s GLU 109 N 0.24 2.99 0.14 2.72 2.12 -1.26 -0.58 118.70 125.07 1vr7 s GLU 109 Ca 0.06 -0.95 -0.09 0.00 0.36 0.00 0.00 54.97 54.34 1vr7 s GLU 109 Cb -0.12 -3.61 -0.06 0.00 0.26 0.00 0.00 34.13 30.60 1vr7 s GLU 109 CO -0.00 -0.58 0.45 -1.01 -0.54 0.00 0.00 175.26 173.57 1vr7 s HIS 110 N 1.55 3.53 -0.43 5.30 3.76 0.58 -4.93 115.29 124.65 1vr7 s HIS 110 Ca 0.02 0.79 -0.20 0.00 -0.15 0.00 0.00 55.06 55.52 1vr7 s HIS 110 Cb -0.18 -2.17 0.02 0.00 1.11 0.00 0.00 32.58 31.35 1vr7 s HIS 110 CO 0.06 0.43 0.63 -1.21 -0.85 0.00 0.00 174.74 173.80 1vr7 s GLU 111 N -2.29 3.33 -0.15 1.40 2.02 -1.26 -1.12 118.70 120.62 1vr7 s GLU 111 Ca 0.39 -0.33 -0.16 0.00 0.02 0.00 0.00 54.97 54.88 1vr7 s GLU 111 Cb -0.13 -3.93 -0.04 0.00 0.10 0.00 0.00 34.13 30.13 1vr7 s GLU 111 CO 0.20 -0.97 0.41 1.03 0.02 0.00 0.00 175.26 175.95 1vr7 s ARG 112 N 2.77 4.28 -0.71 1.61 1.81 -0.29 -4.40 118.95 124.02 1vr7 s ARG 112 Ca 0.22 0.29 -0.01 0.00 -1.72 0.00 0.00 55.73 54.51 1vr7 s ARG 112 Cb -0.14 -3.46 -0.01 0.00 -0.45 0.00 0.00 34.95 30.89 1vr7 s ARG 112 CO 0.18 0.13 0.60 0.41 -0.68 0.00 0.00 175.30 175.95 1vr7 n GLY 113 N 3.46 -0.15 3.74 -3.53 0.00 -1.26 -1.41 105.19 106.03 1vr7 n GLY 113 Ca -0.09 -0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.51 1vr7 n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vr7 n ARG 114 N -2.82 2.48 -0.17 1.61 1.74 -1.26 -1.09 116.66 117.14 1vr7 n ARG 114 Ca -0.14 0.87 -0.03 0.00 -0.77 0.00 0.00 57.85 57.78 1vr7 n ARG 114 Cb 0.60 -2.57 0.18 0.00 -1.02 0.00 0.00 32.46 29.65 1vr7 n ARG 114 CO 0.00 0.00 0.00 1.88 -1.52 0.00 0.00 177.63 177.99 1vr7 h TYR 115 N 3.36 0.93 0.00 -1.55 0.05 -1.28 -1.20 116.97 117.27 1vr7 h TYR 115 Ca -0.48 -0.07 0.00 0.00 0.05 0.00 0.00 58.73 58.23 1vr7 h TYR 115 Cb 1.25 -0.28 0.00 0.00 1.01 0.00 0.00 36.73 38.71 1vr7 h TYR 115 CO 0.54 0.74 0.00 0.38 -1.05 0.00 0.00 178.16 178.77 1vr7 h ASP 116 N 0.89 0.00 0.43 3.88 -0.00 -1.80 0.18 116.42 120.01 1vr7 h ASP 116 Ca 0.20 0.00 -0.30 0.00 -0.00 0.00 0.00 57.03 56.93 1vr7 h ASP 116 Cb 0.23 0.00 -0.05 0.00 -0.00 0.00 0.00 39.33 39.51 1vr7 h ASP 116 CO -0.01 0.00 -1.76 -0.62 -0.00 0.00 0.00 179.24 176.85 1vr7 n GLU 117 N -2.77 0.65 0.04 4.15 -0.58 -0.72 -3.90 120.64 117.51 1vr7 n GLU 117 Ca 0.02 0.29 -0.05 0.00 -0.42 0.00 0.00 57.16 56.99 1vr7 n GLU 117 Cb 0.31 -1.78 -0.10 0.00 -0.57 0.00 0.00 31.44 29.29 1vr7 n GLU 117 CO 0.00 0.00 0.00 -0.84 -0.48 0.00 0.00 177.13 175.81 1vr7 h ILE 118 N 0.01 1.16 0.00 -3.67 3.07 -1.10 -3.48 117.51 113.50 1vr7 h ILE 118 Ca -0.31 -2.85 0.00 0.00 1.55 0.00 0.00 64.86 63.25 1vr7 h ILE 118 Cb 2.02 2.55 0.00 0.00 -0.27 0.00 0.00 36.82 41.12 1vr7 h ILE 118 CO 0.08 0.66 0.00 0.61 -1.05 0.00 0.00 178.15 178.45 1vr7 n GLY 119 N 1.41 1.94 3.80 0.16 0.00 -0.26 -5.11 105.19 107.13 1vr7 n GLY 119 Ca -0.07 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.59 1vr7 n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vr7 s ILE 120 N -2.00 5.45 -2.00 -0.61 1.01 0.49 -5.02 121.20 118.51 1vr7 s ILE 120 Ca 0.00 0.21 0.12 0.00 0.00 0.00 0.00 60.65 60.98 1vr7 s ILE 120 Cb 0.00 -3.45 0.34 0.00 0.01 0.00 0.00 42.46 39.37 1vr7 s ILE 120 CO 0.00 0.52 1.15 -0.81 0.00 0.00 0.00 174.94 175.80