#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vk8 s LYS 3 N 0.00 4.30 0.35 0.54 2.20 -1.26 -2.25 119.74 123.62 1vk8 s LYS 3 Ca 0.00 1.93 0.04 0.00 -0.36 0.00 0.00 55.97 57.58 1vk8 s LYS 3 Cb 0.00 -3.52 -0.03 0.00 -1.51 0.00 0.00 37.83 32.77 1vk8 s LYS 3 CO 0.00 -0.52 0.16 0.14 -0.36 0.00 0.00 175.35 174.76 1vk8 s VAL 4 N 2.14 0.44 0.00 4.02 -7.23 -0.11 -1.04 120.40 118.62 1vk8 s VAL 4 Ca 0.63 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.84 1vk8 s VAL 4 Cb -0.31 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.14 1vk8 s VAL 4 CO 0.27 0.00 -0.10 0.42 -0.31 0.00 0.00 175.10 175.38 1vk8 s THR 5 N -3.41 3.40 -0.14 5.32 -4.23 -1.21 -1.94 115.64 113.43 1vk8 s THR 5 Ca 0.32 -0.85 -0.03 0.00 -1.18 0.00 0.00 61.69 59.95 1vk8 s THR 5 Cb 0.04 -2.45 0.05 0.00 1.34 0.00 0.00 72.50 71.48 1vk8 s THR 5 CO 0.18 0.41 0.03 -0.69 -0.54 0.00 0.00 174.62 174.01 1vk8 s VAL 6 N -0.95 0.33 -0.12 2.29 1.01 -0.29 -1.25 120.40 121.42 1vk8 s VAL 6 Ca 0.16 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 61.78 1vk8 s VAL 6 Cb -0.11 -0.73 -0.05 0.00 0.00 0.00 0.00 36.38 35.49 1vk8 s VAL 6 CO 0.06 -0.04 0.38 -0.44 0.00 0.00 0.00 175.10 175.06 1vk8 s SER 7 N 1.96 6.58 -0.11 3.32 0.01 -0.07 -0.86 113.70 124.54 1vk8 s SER 7 Ca 0.02 0.69 0.03 0.00 1.31 0.00 0.00 55.95 57.99 1vk8 s SER 7 Cb -0.15 -2.23 0.01 0.00 0.21 0.00 0.00 66.02 63.86 1vk8 s SER 7 CO -0.07 0.09 -0.21 -0.63 0.41 0.00 0.00 173.24 172.83 1vk8 s ILE 8 N 0.32 1.91 -0.09 1.44 1.01 0.13 -0.81 121.20 125.12 1vk8 s ILE 8 Ca 0.21 -0.91 0.03 0.00 0.00 0.00 0.00 60.65 59.98 1vk8 s ILE 8 Cb -0.14 -1.68 0.01 0.00 0.01 0.00 0.00 42.46 40.65 1vk8 s ILE 8 CO 0.08 0.52 -0.18 -0.75 0.00 0.00 0.00 174.94 174.61 1vk8 s LYS 9 N 0.63 2.39 -0.15 2.79 2.20 -0.37 -0.82 119.74 126.40 1vk8 s LYS 9 Ca -0.12 -0.64 -0.02 0.00 -0.36 0.00 0.00 55.97 54.82 1vk8 s LYS 9 Cb -0.16 -1.89 -0.02 0.00 -1.51 0.00 0.00 37.83 34.25 1vk8 s LYS 9 CO 0.03 0.07 -0.07 0.08 -0.36 0.00 0.00 175.35 175.10 1vk8 s VAL 10 N 0.59 3.50 -0.40 4.02 1.01 -1.26 -0.68 120.40 127.17 1vk8 s VAL 10 Ca -0.15 -0.49 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1vk8 s VAL 10 Cb -0.17 -2.52 0.12 0.00 0.00 0.00 0.00 36.38 33.81 1vk8 s VAL 10 CO 0.05 0.50 0.16 -0.69 0.00 0.00 0.00 175.10 175.12 1vk8 s VAL 11 N 0.50 1.84 0.34 2.92 1.01 0.08 -4.92 120.40 122.16 1vk8 s VAL 11 Ca -0.06 -2.45 -0.26 0.00 0.00 0.00 0.00 61.98 59.22 1vk8 s VAL 11 Cb -0.15 -2.32 -0.10 0.00 0.00 0.00 0.00 36.38 33.81 1vk8 s VAL 11 CO 0.03 -0.74 0.99 -2.16 0.00 0.00 0.00 175.10 173.22 1vk8 s PRO 12 N 0.61 4.49 -1.35 2.72 0.04 -1.26 -1.07 135.00 139.18 1vk8 s PRO 12 Ca 0.14 1.43 -0.13 0.00 0.04 0.00 0.00 61.00 62.48 1vk8 s PRO 12 Cb -0.22 -2.78 0.10 0.00 0.04 0.00 0.00 34.50 31.64 1vk8 s PRO 12 CO -0.07 0.17 1.94 0.00 0.04 0.00 0.00 177.00 179.08 1vk8 n ALA 13 N 0.48 4.99 -2.37 8.56 0.00 -0.13 -4.90 120.51 127.13 1vk8 n ALA 13 Ca 0.02 -4.07 -0.16 0.00 0.00 0.00 0.00 53.44 49.24 1vk8 n ALA 13 Cb 0.49 -3.30 -0.10 0.00 0.00 0.00 0.00 19.45 16.54 1vk8 n ALA 13 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.50 177.64 1vk8 s VAL 14 N 2.20 1.22 0.41 0.00 -7.23 -1.26 -4.74 120.40 111.00 1vk8 s VAL 14 Ca 0.45 -1.89 -0.25 0.00 -1.81 0.00 0.00 61.98 58.47 1vk8 s VAL 14 Cb 0.09 -1.68 -0.10 0.00 0.56 0.00 0.00 36.38 35.25 1vk8 s VAL 14 CO -0.02 -0.60 1.19 1.21 -0.31 0.00 0.00 175.10 176.57 1vk8 n GLU 15 N 0.14 1.76 0.31 4.82 0.00 -1.26 -4.76 120.64 121.65 1vk8 n GLU 15 Ca -0.13 0.63 0.19 0.00 0.00 0.00 0.00 57.16 57.85 1vk8 n GLU 15 Cb 0.59 -2.27 1.04 0.00 0.00 0.00 0.00 31.44 30.80 1vk8 n GLU 15 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.13 177.51 1vk8 h ASP 16 N 1.95 0.00 0.49 4.31 3.04 -2.00 -1.23 116.42 122.99 1vk8 h ASP 16 Ca -0.47 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.32 1vk8 h ASP 16 Cb 1.31 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.60 1vk8 h ASP 16 CO 0.59 0.00 0.00 0.61 -2.04 0.00 0.00 179.24 178.40 1vk8 n GLY 17 N -1.22 -1.15 0.11 7.15 0.00 -1.26 -2.51 105.19 106.31 1vk8 n GLY 17 Ca -0.02 0.13 0.06 0.00 0.00 0.00 0.00 46.02 46.18 1vk8 n GLY 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1vk8 n ARG 18 N -2.27 2.66 -0.09 1.61 1.74 -0.47 -4.73 116.66 115.11 1vk8 n ARG 18 Ca 0.01 -0.26 -0.08 0.00 -0.77 0.00 0.00 57.85 56.75 1vk8 n ARG 18 Cb 0.17 -1.10 -0.02 0.00 -1.02 0.00 0.00 32.46 30.49 1vk8 n ARG 18 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 1vk8 h LEU 19 N 0.52 -1.09 -1.19 0.55 5.85 -1.50 -2.24 115.31 116.22 1vk8 h LEU 19 Ca 0.00 0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 1vk8 h LEU 19 Cb 0.33 0.50 -0.02 0.00 0.37 0.00 0.00 40.66 41.84 1vk8 h LEU 19 CO 0.00 -0.33 -0.01 0.45 -0.34 0.00 0.00 178.44 178.21 1vk8 h HIS 20 N -0.29 0.57 -0.23 1.25 3.86 -1.85 -2.80 115.15 115.66 1vk8 h HIS 20 Ca 0.15 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.27 1vk8 h HIS 20 Cb 0.54 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.84 1vk8 h HIS 20 CO -0.52 0.56 -0.00 0.93 0.86 0.00 0.00 177.93 179.76 1vk8 h GLU 21 N 0.52 0.41 -0.83 2.45 5.08 -1.73 -0.85 114.58 119.62 1vk8 h GLU 21 Ca 0.11 -0.13 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1vk8 h GLU 21 Cb 0.35 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.52 1vk8 h GLU 21 CO 0.01 0.59 0.54 0.28 -1.00 0.00 0.00 179.01 179.44 1vk8 h VAL 22 N 0.17 1.18 -0.80 3.13 2.07 -1.35 -2.41 116.25 118.24 1vk8 h VAL 22 Ca 0.06 -0.38 -0.02 0.00 0.82 0.00 0.00 66.70 67.19 1vk8 h VAL 22 Cb 0.41 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.14 1vk8 h VAL 22 CO 0.01 0.20 0.43 0.40 0.02 0.00 0.00 177.57 178.63 1vk8 h ILE 23 N 1.09 1.24 -0.99 4.57 1.08 -1.32 -2.14 117.51 121.04 1vk8 h ILE 23 Ca 0.31 -0.62 0.04 0.00 -0.39 0.00 0.00 64.86 64.21 1vk8 h ILE 23 Cb -0.08 0.18 -0.06 0.00 -3.07 0.00 0.00 36.82 33.79 1vk8 h ILE 23 CO -0.08 0.27 0.65 0.44 -0.69 0.00 0.00 178.15 178.74 1vk8 h ASP 24 N 1.12 1.07 -0.68 1.72 3.32 -0.73 -0.77 116.42 121.47 1vk8 h ASP 24 Ca 0.28 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.27 1vk8 h ASP 24 Cb 0.05 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.33 1vk8 h ASP 24 CO -0.04 0.72 0.21 0.03 -1.72 0.00 0.00 179.24 178.44 1vk8 h ARG 25 N 1.24 1.07 -0.14 3.56 2.47 -0.98 -1.12 114.38 120.47 1vk8 h ARG 25 Ca 0.40 -0.23 0.00 0.00 -1.26 0.00 0.00 59.98 58.89 1vk8 h ARG 25 Cb 0.04 -0.15 -0.01 0.00 -1.65 0.00 0.00 29.97 28.20 1vk8 h ARG 25 CO -0.14 0.93 0.09 0.00 0.56 0.00 0.00 179.97 181.41 1vk8 h ALA 26 N 1.09 0.18 -0.10 0.04 0.00 -0.81 -1.35 119.26 118.31 1vk8 h ALA 26 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 1vk8 h ALA 26 Cb 0.31 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1vk8 h ALA 26 CO -0.01 -0.32 0.06 0.82 0.00 0.00 0.00 179.25 179.81 1vk8 h ILE 27 N 0.18 1.04 -0.57 0.00 2.04 -1.02 -0.43 117.51 118.76 1vk8 h ILE 27 Ca 0.05 -0.10 0.06 0.00 1.00 0.00 0.00 64.86 65.87 1vk8 h ILE 27 Cb -0.00 0.94 -0.05 0.00 -0.74 0.00 0.00 36.82 36.96 1vk8 h ILE 27 CO -0.01 0.04 0.27 -0.08 0.00 0.00 0.00 178.15 178.37 1vk8 h GLU 28 N 0.11 0.49 -0.27 2.37 4.81 -1.17 -0.97 114.58 119.95 1vk8 h GLU 28 Ca 0.04 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1vk8 h GLU 28 Cb 0.01 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1vk8 h GLU 28 CO -0.01 0.33 0.14 -0.22 -0.73 0.00 0.00 179.01 178.52 1vk8 h LYS 29 N 0.51 0.29 -0.82 1.92 1.63 -0.96 -2.69 116.57 116.45 1vk8 h LYS 29 Ca 0.26 -0.02 0.03 0.00 -0.85 0.00 0.00 60.65 60.08 1vk8 h LYS 29 Cb 0.21 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.73 1vk8 h LYS 29 CO -0.20 0.19 0.54 0.82 -3.45 0.00 0.00 179.45 177.35 1vk8 h ILE 30 N 0.30 1.13 0.00 2.00 2.04 -0.56 -1.96 117.51 120.46 1vk8 h ILE 30 Ca 0.11 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1vk8 h ILE 30 Cb 0.02 0.03 -0.00 0.00 -0.74 0.00 0.00 36.82 36.13 1vk8 h ILE 30 CO -0.07 0.19 -0.00 0.77 0.00 0.00 0.00 178.15 179.04 1vk8 h SER 31 N 1.02 0.00 1.09 1.72 4.64 -0.87 -2.41 113.55 118.74 1vk8 h SER 31 Ca 0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.65 1vk8 h SER 31 Cb 0.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1vk8 h SER 31 CO -0.10 0.00 -0.03 -1.54 -0.87 0.00 0.00 176.83 174.30 1vk8 n SER 32 N -3.10 0.23 0.11 4.97 3.41 -0.74 -3.92 113.62 114.59 1vk8 n SER 32 Ca -0.01 0.48 0.12 0.00 -0.26 0.00 0.00 58.87 59.20 1vk8 n SER 32 Cb 0.18 -0.53 0.45 0.00 -0.26 0.00 0.00 64.21 64.06 1vk8 n SER 32 CO 0.00 0.00 0.00 0.79 -0.16 0.00 0.00 175.04 175.67 1vk8 n TRP 33 N -1.70 0.80 -1.23 7.33 8.01 -0.91 -5.13 117.44 124.61 1vk8 n TRP 33 Ca 0.07 0.27 0.00 0.00 -1.31 0.00 0.00 57.50 56.53 1vk8 n TRP 33 Cb 0.36 -0.94 0.00 0.00 -2.01 0.00 0.00 31.31 28.72 1vk8 n TRP 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1vk8 n GLY 34 N 0.63 0.78 3.74 6.99 0.00 -1.25 -5.19 105.19 110.89 1vk8 n GLY 34 Ca 0.04 -0.37 -0.36 0.00 0.00 0.00 0.00 46.02 45.33 1vk8 n GLY 34 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1vk8 s LYS 36 N -2.82 4.20 0.07 1.61 2.20 -1.26 -5.17 119.74 118.58 1vk8 s LYS 36 Ca 0.00 0.11 -0.08 0.00 -0.36 0.00 0.00 55.97 55.64 1vk8 s LYS 36 Cb 0.00 -3.40 -0.01 0.00 -1.51 0.00 0.00 37.83 32.91 1vk8 s LYS 36 CO 0.00 0.29 0.16 1.52 -0.36 0.00 0.00 175.35 176.96 1vk8 s TYR 37 N 0.31 0.17 -0.06 4.03 -0.85 -1.26 -1.16 117.35 118.53 1vk8 s TYR 37 Ca 0.17 -0.57 -0.01 0.00 -0.52 0.00 0.00 57.07 56.14 1vk8 s TYR 37 Cb -0.13 -0.09 0.03 0.00 0.38 0.00 0.00 41.96 42.14 1vk8 s TYR 37 CO 0.04 -0.50 0.00 -2.00 -1.52 0.00 0.00 175.55 171.58 1vk8 s GLU 38 N -3.55 0.54 -0.11 -3.49 2.12 0.09 -4.98 118.70 109.30 1vk8 s GLU 38 Ca 0.03 0.10 -0.25 0.00 0.36 0.00 0.00 54.97 55.21 1vk8 s GLU 38 Cb 0.04 -0.84 -0.03 0.00 0.26 0.00 0.00 34.13 33.56 1vk8 s GLU 38 CO -0.09 -0.25 0.79 0.08 -0.54 0.00 0.00 175.26 175.25 1vk8 s VAL 39 N 1.71 4.95 0.52 3.70 1.01 -1.26 -1.11 120.40 129.91 1vk8 s VAL 39 Ca 0.01 1.59 0.03 0.00 0.00 0.00 0.00 61.98 63.61 1vk8 s VAL 39 Cb -0.13 -4.11 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1vk8 s VAL 39 CO -0.04 0.13 0.14 -0.83 0.00 0.00 0.00 175.10 174.50 1vk8 s GLY 40 N 1.01 2.79 0.53 4.51 0.00 0.29 -5.00 107.32 111.45 1vk8 s GLY 40 Ca 0.39 -0.72 0.27 0.00 0.00 0.00 0.00 44.72 44.67 1vk8 s GLY 40 CO 0.16 -2.11 2.10 -2.55 0.00 0.00 0.00 173.10 170.71 1vk8 h PRO 41 N 1.16 0.00 0.00 2.90 0.11 -2.04 -3.29 132.00 130.83 1vk8 h PRO 41 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1vk8 h PRO 41 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1vk8 h PRO 41 CO 0.69 0.10 -0.15 -1.13 -0.21 0.00 0.00 178.00 177.30 1vk8 n SER 42 N -3.69 0.74 -3.70 -2.05 3.41 -1.26 -5.08 113.62 101.99 1vk8 n SER 42 Ca -0.02 -0.39 -0.04 0.00 -0.26 0.00 0.00 58.87 58.16 1vk8 n SER 42 Cb 0.21 0.93 -0.01 0.00 -0.26 0.00 0.00 64.21 65.09 1vk8 n SER 42 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1vk8 s ASN 43 N -1.08 -0.16 -0.11 4.04 2.20 -1.24 -4.71 114.94 113.87 1vk8 s ASN 43 Ca 0.00 -0.49 0.03 0.00 -0.94 0.00 0.00 52.86 51.46 1vk8 s ASN 43 Cb 0.00 0.53 0.01 0.00 -2.00 0.00 0.00 41.25 39.79 1vk8 s ASN 43 CO 0.00 -1.00 -0.22 -0.89 -2.94 0.00 0.00 177.10 172.05 1vk8 s THR 44 N -3.22 1.94 -0.21 0.54 2.01 0.00 -0.54 115.64 116.16 1vk8 s THR 44 Ca 0.13 -0.93 -0.07 0.00 0.31 0.00 0.00 61.69 61.12 1vk8 s THR 44 Cb -0.02 -1.70 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 1vk8 s THR 44 CO 0.04 0.53 0.07 -0.89 -0.69 0.00 0.00 174.62 173.67 1vk8 s THR 45 N 0.57 4.61 0.08 -0.82 2.01 -0.27 0.22 115.64 122.04 1vk8 s THR 45 Ca -0.14 -0.09 0.04 0.00 0.31 0.00 0.00 61.69 61.81 1vk8 s THR 45 Cb -0.17 -3.11 -0.04 0.00 0.01 0.00 0.00 72.50 69.20 1vk8 s THR 45 CO 0.04 0.41 0.05 0.68 -0.69 0.00 0.00 174.62 175.11 1vk8 s VAL 46 N 0.86 4.34 -0.13 3.82 -7.23 -0.04 -0.73 120.40 121.29 1vk8 s VAL 46 Ca 0.04 -0.84 0.01 0.00 -1.81 0.00 0.00 61.98 59.38 1vk8 s VAL 46 Cb -0.14 -3.08 -0.00 0.00 0.56 0.00 0.00 36.38 33.72 1vk8 s VAL 46 CO 0.02 0.13 -0.18 -0.70 -0.31 0.00 0.00 175.10 174.07 1vk8 s GLU 47 N -2.34 3.19 0.00 4.82 2.12 -0.31 -1.14 118.70 125.04 1vk8 s GLU 47 Ca 0.28 -0.78 0.00 0.00 0.36 0.00 0.00 54.97 54.82 1vk8 s GLU 47 Cb -0.12 -2.51 0.00 0.00 0.26 0.00 0.00 34.13 31.76 1vk8 s GLU 47 CO 0.20 0.11 0.00 0.41 -0.54 0.00 0.00 175.26 175.44 1vk8 n GLY 48 N 3.78 -1.26 3.72 -1.50 0.00 -0.82 -3.99 105.19 105.13 1vk8 n GLY 48 Ca -0.19 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.50 1vk8 n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1vk8 s GLU 49 N -0.56 4.48 0.15 1.61 -6.30 -1.26 -0.94 118.70 115.89 1vk8 s GLU 49 Ca 0.00 1.78 -0.18 0.00 -2.50 0.00 0.00 54.97 54.08 1vk8 s GLU 49 Cb 0.00 -3.30 0.03 0.00 0.00 0.00 0.00 34.13 30.86 1vk8 s GLU 49 CO 0.00 -0.14 1.72 0.35 0.02 0.00 0.00 175.26 177.21 1vk8 h PHE 50 N 6.02 0.02 -0.20 5.30 3.57 -1.81 -1.69 116.94 128.15 1vk8 h PHE 50 Ca -0.43 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 60.97 1vk8 h PHE 50 Cb 1.21 0.04 -0.01 0.00 2.79 0.00 0.00 35.95 39.98 1vk8 h PHE 50 CO 0.65 -0.03 -0.39 0.93 -2.23 0.00 0.00 178.31 177.24 1vk8 h GLU 51 N 0.11 0.44 -0.42 1.11 5.08 -1.92 -2.53 114.58 116.45 1vk8 h GLU 51 Ca 0.14 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.25 1vk8 h GLU 51 Cb 0.18 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.41 1vk8 h GLU 51 CO -0.22 0.76 0.09 1.49 -1.00 0.00 0.00 179.01 180.12 1vk8 h GLU 52 N 0.37 0.69 -1.89 2.33 4.81 -1.90 -1.61 114.58 117.37 1vk8 h GLU 52 Ca 0.04 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.09 1vk8 h GLU 52 Cb 0.84 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.14 1vk8 h GLU 52 CO 0.07 0.71 0.00 -0.89 -0.73 0.00 0.00 179.01 178.17 1vk8 n ILE 53 N -4.52 0.03 0.00 2.32 5.41 -0.66 -1.22 119.36 120.72 1vk8 n ILE 53 Ca -0.00 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.75 1vk8 n ILE 53 Cb 0.22 -0.49 0.00 0.00 -0.71 0.00 0.00 39.64 38.66 1vk8 n ILE 53 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 1vk8 n ASP 55 N 0.96 0.00 -0.00 4.38 8.00 -0.61 -0.59 116.55 128.69 1vk8 n ASP 55 Ca 0.00 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.48 1vk8 n ASP 55 Cb 0.01 0.00 0.24 0.00 -0.02 0.00 0.00 41.12 41.35 1vk8 n ASP 55 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 1vk8 h ARG 56 N 0.00 0.52 -0.35 -1.24 2.47 -1.43 -2.38 114.38 111.97 1vk8 h ARG 56 Ca 0.00 -0.15 -0.07 0.00 -1.26 0.00 0.00 59.98 58.50 1vk8 h ARG 56 Cb 0.00 -0.05 -0.02 0.00 -1.65 0.00 0.00 29.97 28.25 1vk8 h ARG 56 CO 0.00 0.64 -0.07 0.28 0.56 0.00 0.00 179.97 181.38 1vk8 h VAL 57 N 0.48 1.22 -0.49 2.04 2.07 -1.12 0.12 116.25 120.58 1vk8 h VAL 57 Ca 0.09 -0.96 0.01 0.00 0.82 0.00 0.00 66.70 66.66 1vk8 h VAL 57 Cb 0.50 1.04 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 1vk8 h VAL 57 CO 0.03 0.32 0.31 0.11 0.02 0.00 0.00 177.57 178.37 1vk8 h LYS 58 N 0.53 0.62 -0.49 1.57 1.57 -1.70 -2.00 116.57 116.68 1vk8 h LYS 58 Ca 0.10 -0.04 -0.06 0.00 -1.87 0.00 0.00 60.65 58.78 1vk8 h LYS 58 Cb 0.44 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.59 1vk8 h LYS 58 CO 0.02 0.41 0.06 0.93 -0.57 0.00 0.00 179.45 180.30 1vk8 h GLU 59 N 0.64 0.83 -0.41 3.15 5.08 -1.20 -2.96 114.58 119.70 1vk8 h GLU 59 Ca 0.18 -0.23 0.03 0.00 -1.00 0.00 0.00 59.36 58.34 1vk8 h GLU 59 Cb -0.05 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.07 1vk8 h GLU 59 CO -0.05 0.84 0.20 1.25 -1.00 0.00 0.00 179.01 180.25 1vk8 h LEU 60 N 0.70 0.28 -0.56 1.33 5.85 -0.72 -0.34 115.31 121.84 1vk8 h LEU 60 Ca 0.15 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.88 1vk8 h LEU 60 Cb 0.43 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1vk8 h LEU 60 CO 0.01 0.20 0.31 0.00 -0.34 0.00 0.00 178.44 178.63 1vk8 h ALA 61 N 1.23 0.72 -0.58 1.25 0.00 -1.32 -0.72 119.26 119.84 1vk8 h ALA 61 Ca 0.18 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1vk8 h ALA 61 Cb 0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1vk8 h ALA 61 CO -0.13 0.25 0.04 0.00 0.00 0.00 0.00 179.25 179.40 1vk8 h ARG 62 N 0.76 1.00 -0.63 0.00 2.47 -1.34 -2.78 114.38 113.86 1vk8 h ARG 62 Ca 0.20 -0.30 0.01 0.00 -1.26 0.00 0.00 59.98 58.64 1vk8 h ARG 62 Cb 0.05 -0.10 -0.03 0.00 -1.65 0.00 0.00 29.97 28.23 1vk8 h ARG 62 CO -0.03 0.97 0.40 -0.92 0.56 0.00 0.00 179.97 180.96 1vk8 h TYR 63 N 0.89 0.76 0.00 3.04 3.20 -0.69 -2.97 116.97 121.21 1vk8 h TYR 63 Ca 0.17 0.02 -0.05 0.00 3.14 0.00 0.00 58.73 62.01 1vk8 h TYR 63 Cb 0.49 -0.25 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1vk8 h TYR 63 CO 0.04 0.46 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.73 1vk8 h LEU 64 N 0.81 0.00 -1.31 2.82 3.38 -0.88 -3.14 115.31 117.00 1vk8 h LEU 64 Ca 0.24 0.00 0.24 0.00 0.09 0.00 0.00 57.88 58.45 1vk8 h LEU 64 Cb -0.05 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.60 1vk8 h LEU 64 CO -0.07 0.22 0.64 -0.33 0.09 0.00 0.00 178.44 178.99 1vk8 h GLU 65 N 0.00 0.46 0.00 1.13 5.08 -1.33 -0.05 114.58 119.87 1vk8 h GLU 65 Ca -0.00 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1vk8 h GLU 65 Cb 0.59 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 1vk8 h GLU 65 CO 0.03 0.30 -0.03 -0.56 -1.00 0.00 0.00 179.01 177.75 1vk8 h GLN 66 N 0.47 0.00 0.00 2.33 3.07 -1.73 -3.14 115.11 116.11 1vk8 h GLN 66 Ca 0.57 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 59.21 1vk8 h GLN 66 Cb 1.33 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.87 1vk8 h GLN 66 CO -0.30 0.03 -1.96 1.19 0.09 0.00 0.00 178.83 177.88 1vk8 n PHE 67 N -3.19 0.00 -3.66 0.06 3.72 -0.12 -4.97 117.46 109.30 1vk8 n PHE 67 Ca -0.01 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.33 1vk8 n PHE 67 Cb 0.21 -0.57 -0.07 0.00 -0.94 0.00 0.00 39.48 38.11 1vk8 n PHE 67 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1vk8 s ALA 68 N -2.99 -1.59 0.16 4.37 0.00 -0.69 -5.00 121.76 116.02 1vk8 s ALA 68 Ca -0.07 2.00 0.22 0.00 0.00 0.00 0.00 51.96 54.11 1vk8 s ALA 68 Cb 0.10 -1.42 0.85 0.00 0.00 0.00 0.00 23.12 22.64 1vk8 s ALA 68 CO 0.75 -0.62 1.80 0.87 0.00 0.00 0.00 175.76 178.55 1vk8 h LYS 69 N 7.63 0.00 -3.62 0.00 1.79 -1.87 -3.37 116.57 117.13 1vk8 h LYS 69 Ca -0.24 0.00 -0.26 0.00 -2.18 0.00 0.00 60.65 57.97 1vk8 h LYS 69 Cb 1.15 0.00 -0.31 0.00 -1.58 0.00 0.00 32.23 31.49 1vk8 h LYS 69 CO 0.16 0.28 -0.72 0.50 -1.08 0.00 0.00 179.45 178.59 1vk8 s ARG 70 N -3.66 -0.01 0.04 3.15 6.06 -1.26 -5.05 118.95 118.21 1vk8 s ARG 70 Ca 0.00 0.09 -0.22 0.00 -2.50 0.00 0.00 55.73 53.10 1vk8 s ARG 70 Cb 0.11 -0.11 0.05 0.00 0.06 0.00 0.00 34.95 35.06 1vk8 s ARG 70 CO 0.65 -0.08 0.52 -0.59 -2.50 0.00 0.00 175.30 173.30 1vk8 s PHE 71 N 0.50 -0.42 -0.09 5.12 -0.71 -1.26 -0.96 117.98 120.15 1vk8 s PHE 71 Ca -0.04 0.49 -0.16 0.00 -1.04 0.00 0.00 56.93 56.18 1vk8 s PHE 71 Cb -0.06 0.33 -0.05 0.00 -1.21 0.00 0.00 43.02 42.03 1vk8 s PHE 71 CO -0.01 -0.63 0.42 0.08 -1.34 0.00 0.00 175.22 173.74 1vk8 s VAL 72 N -2.31 5.16 -0.15 -2.49 1.01 -0.23 -4.95 120.40 116.44 1vk8 s VAL 72 Ca -0.06 0.85 0.00 0.00 0.00 0.00 0.00 61.98 62.77 1vk8 s VAL 72 Cb -0.01 -3.75 0.02 0.00 0.00 0.00 0.00 36.38 32.64 1vk8 s VAL 72 CO -0.01 0.41 -0.15 -0.22 0.00 0.00 0.00 175.10 175.13 1vk8 s LEU 73 N 0.12 1.77 -0.09 3.92 2.96 -1.26 -0.74 118.68 125.36 1vk8 s LEU 73 Ca 0.23 -0.52 0.04 0.00 -0.22 0.00 0.00 54.13 53.67 1vk8 s LEU 73 Cb -0.15 -1.24 -0.01 0.00 0.50 0.00 0.00 46.19 45.30 1vk8 s LEU 73 CO 0.10 -0.04 -0.22 -1.10 -1.32 0.00 0.00 176.35 173.77 1vk8 s GLN 74 N 1.44 2.89 -0.11 1.98 -0.21 0.14 -4.98 119.66 120.82 1vk8 s GLN 74 Ca 0.05 -0.85 0.02 0.00 0.02 0.00 0.00 55.36 54.61 1vk8 s GLN 74 Cb -0.13 -2.31 -0.01 0.00 1.00 0.00 0.00 33.01 31.56 1vk8 s GLN 74 CO -0.11 0.29 -0.19 -0.51 -2.12 0.00 0.00 175.29 172.65 1vk8 s LEU 75 N 0.09 2.41 -0.32 2.90 1.43 -1.26 -1.24 118.68 122.70 1vk8 s LEU 75 Ca -0.10 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.60 1vk8 s LEU 75 Cb -0.16 -1.51 0.09 0.00 0.03 0.00 0.00 46.19 44.64 1vk8 s LEU 75 CO 0.06 0.18 0.00 -0.62 0.23 0.00 0.00 176.35 176.21 1vk8 s ASP 76 N 0.22 4.70 -0.22 2.29 2.15 0.01 -4.96 116.67 120.86 1vk8 s ASP 76 Ca -0.12 -1.86 -0.10 0.00 0.43 0.00 0.00 52.55 50.90 1vk8 s ASP 76 Cb -0.16 -1.62 -0.05 0.00 -0.30 0.00 0.00 42.92 40.79 1vk8 s ASP 76 CO 0.06 -0.32 0.14 -0.63 -0.17 0.00 0.00 175.17 174.26 1vk8 s ILE 77 N 0.99 5.38 -0.50 4.11 1.01 -1.26 -0.89 121.20 130.04 1vk8 s ILE 77 Ca 0.04 0.18 -0.15 0.00 0.00 0.00 0.00 60.65 60.72 1vk8 s ILE 77 Cb -0.20 -3.48 0.11 0.00 0.01 0.00 0.00 42.46 38.90 1vk8 s ILE 77 CO -0.07 0.39 0.44 -0.62 0.00 0.00 0.00 174.94 175.08 1vk8 s ASP 78 N 0.71 6.10 -0.26 3.58 -1.08 -0.38 -5.02 116.67 120.33 1vk8 s ASP 78 Ca 0.08 -1.63 -0.10 0.00 -0.52 0.00 0.00 52.55 50.38 1vk8 s ASP 78 Cb -0.12 -2.17 -0.04 0.00 -1.46 0.00 0.00 42.92 39.12 1vk8 s ASP 78 CO 0.01 -0.75 0.15 -0.47 0.52 0.00 0.00 175.17 174.63 1vk8 s TYR 79 N 1.58 3.22 -0.06 -5.34 6.14 -1.26 -3.32 117.35 118.30 1vk8 s TYR 79 Ca 0.04 0.03 0.01 0.00 0.64 0.00 0.00 57.07 57.78 1vk8 s TYR 79 Cb -0.27 -2.30 0.02 0.00 0.42 0.00 0.00 41.96 39.83 1vk8 s TYR 79 CO 0.04 -0.12 -0.04 0.21 0.64 0.00 0.00 175.55 176.27 1vk8 s LYS 80 N 1.46 0.90 -0.00 4.97 2.20 -1.26 -5.07 119.74 122.93 1vk8 s LYS 80 Ca 0.07 -0.10 -0.35 0.00 -0.36 0.00 0.00 55.97 55.23 1vk8 s LYS 80 Cb -0.15 -0.97 -0.13 0.00 -1.51 0.00 0.00 37.83 35.07 1vk8 s LYS 80 CO 0.07 -0.13 1.72 0.00 -0.36 0.00 0.00 175.35 176.64 1vk8 n ALA 81 N 4.32 0.79 -0.12 3.13 0.00 -1.26 -1.43 120.51 125.94 1vk8 n ALA 81 Ca -0.20 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1vk8 n ALA 81 Cb 0.51 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.57 1vk8 n ALA 81 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1vk8 n GLY 82 N 3.88 1.59 0.00 0.00 0.00 -1.26 -4.94 105.19 104.46 1vk8 n GLY 82 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 1vk8 n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1vk8 n GLY 83 N -2.00 2.78 3.21 -0.02 0.00 -0.51 -4.89 105.19 103.76 1vk8 n GLY 83 Ca 0.00 -1.80 -0.13 0.00 0.00 0.00 0.00 46.02 44.09 1vk8 n GLY 83 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1vk8 s ILE 84 N -2.29 0.00 0.27 -0.61 1.10 -0.21 -4.83 121.20 114.64 1vk8 s ILE 84 Ca 0.00 -0.02 0.10 0.00 -0.51 0.00 0.00 60.65 60.22 1vk8 s ILE 84 Cb 0.00 -0.46 -0.05 0.00 0.15 0.00 0.00 42.46 42.09 1vk8 s ILE 84 CO 0.00 -0.01 -0.16 0.42 -2.11 0.00 0.00 174.94 173.08 1vk8 s THR 85 N 0.11 2.19 0.17 4.00 -4.23 -1.26 -3.86 115.64 112.76 1vk8 s THR 85 Ca -0.01 -2.31 -0.16 0.00 -1.18 0.00 0.00 61.69 58.04 1vk8 s THR 85 Cb -0.02 -2.30 0.11 0.00 1.34 0.00 0.00 72.50 71.62 1vk8 s THR 85 CO 0.01 -0.41 1.67 0.40 -0.54 0.00 0.00 174.62 175.75 1vk8 h ILE 86 N 2.30 0.60 -0.91 2.99 2.04 -1.94 -2.73 117.51 119.86 1vk8 h ILE 86 Ca -0.40 -0.01 0.01 0.00 1.00 0.00 0.00 64.86 65.45 1vk8 h ILE 86 Cb 1.25 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 37.84 1vk8 h ILE 86 CO 0.63 0.01 0.59 -0.08 0.00 0.00 0.00 178.15 179.30 1vk8 h GLU 87 N 0.04 1.21 -0.36 2.37 4.81 -1.97 -0.60 114.58 120.09 1vk8 h GLU 87 Ca 0.21 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.33 1vk8 h GLU 87 Cb 0.32 -0.27 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1vk8 h GLU 87 CO -0.41 0.82 0.09 0.93 -0.73 0.00 0.00 179.01 179.70 1vk8 h GLU 88 N 1.24 0.53 0.02 1.92 5.08 -1.91 -1.02 114.58 120.44 1vk8 h GLU 88 Ca 0.33 -0.08 -0.22 0.00 -1.00 0.00 0.00 59.36 58.39 1vk8 h GLU 88 Cb -0.12 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.01 1vk8 h GLU 88 CO -0.07 0.48 -1.03 0.87 -1.00 0.00 0.00 179.01 178.27 1vk8 h LYS 89 N 0.52 0.04 0.00 2.33 1.57 -1.00 -3.43 116.57 116.61 1vk8 h LYS 89 Ca 0.12 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1vk8 h LYS 89 Cb 0.20 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.53 1vk8 h LYS 89 CO -0.00 1.03 -0.94 1.33 -0.57 0.00 0.00 179.45 180.29 1vk8 n VAL 90 N -3.39 0.00 -0.08 0.50 0.24 -0.35 -4.82 118.33 110.43 1vk8 n VAL 90 Ca -0.01 0.00 0.02 0.00 -2.04 0.00 0.00 64.34 62.31 1vk8 n VAL 90 Cb 0.94 0.11 0.34 0.00 -1.47 0.00 0.00 33.84 33.76 1vk8 n VAL 90 CO 0.00 0.00 0.00 0.77 -2.14 0.00 0.00 176.83 175.46 1vk8 h SER 91 N 0.00 0.62 -0.18 -1.34 4.64 -1.40 -0.51 113.55 115.37 1vk8 h SER 91 Ca 0.00 -0.03 0.05 0.00 -0.47 0.00 0.00 61.79 61.34 1vk8 h SER 91 Cb 0.24 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 1vk8 h SER 91 CO 0.00 0.49 0.13 0.50 -0.87 0.00 0.00 176.83 177.08 1vk8 h LYS 92 N 0.71 0.00 -0.60 4.77 3.64 -1.88 -1.90 116.57 121.31 1vk8 h LYS 92 Ca 0.19 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 1vk8 h LYS 92 Cb -0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 1vk8 h LYS 92 CO -0.03 0.00 0.00 0.66 -2.27 0.00 0.00 179.45 177.81 1vk8 n TYR 93 N -4.47 1.77 -0.84 1.91 4.01 -0.21 -5.25 117.16 114.08 1vk8 n TYR 93 Ca 0.01 -0.68 0.00 0.00 -0.16 0.00 0.00 57.90 57.08 1vk8 n TYR 93 Cb 0.27 -0.38 0.00 0.00 -0.31 0.00 0.00 39.34 38.92 1vk8 n TYR 93 CO 0.00 0.00 0.00 0.54 -0.46 0.00 0.00 176.86 176.94