#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vk0 n ALA 2 N 0.00 0.00 -3.14 7.33 0.00 -1.26 -4.99 120.51 118.46 1vk0 n ALA 2 Ca 0.00 0.45 -0.10 0.00 0.00 0.00 0.00 53.44 53.79 1vk0 n ALA 2 Cb 0.00 -2.14 -0.04 0.00 0.00 0.00 0.00 19.45 17.26 1vk0 n ALA 2 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1vk0 s SER 3 N 0.24 -0.22 -1.15 0.00 1.04 -1.26 -5.05 113.70 107.30 1vk0 s SER 3 Ca 0.74 -0.48 -0.14 0.00 0.48 0.00 0.00 55.95 56.54 1vk0 s SER 3 Cb -0.78 0.53 0.17 0.00 0.10 0.00 0.00 66.02 66.03 1vk0 s SER 3 CO 0.49 -0.97 1.36 -0.36 0.98 0.00 0.00 173.24 174.74 1vk0 s PHE 4 N -3.86 3.46 -0.22 5.02 0.40 -1.26 -4.79 117.98 116.73 1vk0 s PHE 4 Ca 0.08 -2.02 0.14 0.00 -0.60 0.00 0.00 56.93 54.53 1vk0 s PHE 4 Cb 0.00 -4.29 0.55 0.00 0.51 0.00 0.00 43.02 39.80 1vk0 s PHE 4 CO -0.05 -1.39 1.48 -0.40 0.70 0.00 0.00 175.22 175.55 1vk0 n ASP 5 N 5.69 3.66 -2.26 1.36 5.75 -1.22 -4.38 116.55 125.15 1vk0 n ASP 5 Ca 0.34 -3.22 -0.04 0.00 -0.01 0.00 0.00 54.79 51.86 1vk0 n ASP 5 Cb 0.44 -0.59 0.02 0.00 -1.03 0.00 0.00 41.12 39.96 1vk0 n ASP 5 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vk0 n GLY 6 N -0.62 -0.80 3.60 6.12 0.00 -0.36 -4.99 105.19 108.13 1vk0 n GLY 6 Ca 0.26 -1.73 -0.46 0.00 0.00 0.00 0.00 46.02 44.09 1vk0 n GLY 6 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1vk0 n PRO 7 N -1.33 1.37 -4.16 1.61 -0.01 -1.26 -4.43 135.00 126.79 1vk0 n PRO 7 Ca 0.02 0.48 -0.32 0.00 -0.01 0.00 0.00 63.50 63.68 1vk0 n PRO 7 Cb 0.07 -1.93 -0.08 0.00 -0.01 0.00 0.00 33.50 31.56 1vk0 n PRO 7 CO 0.00 0.00 0.00 -1.59 -0.01 0.00 0.00 175.50 173.90 1vk0 s LYS 8 N -1.06 2.82 0.01 -0.52 -2.85 -1.26 -2.83 119.74 114.05 1vk0 s LYS 8 Ca 0.64 -0.64 0.07 0.00 -1.00 0.00 0.00 55.97 55.03 1vk0 s LYS 8 Cb -0.74 -2.70 -0.02 0.00 -2.06 0.00 0.00 37.83 32.31 1vk0 s LYS 8 CO 0.56 0.60 -0.20 -0.06 0.10 0.00 0.00 175.35 176.35 1vk0 s PHE 9 N -1.22 1.77 0.71 1.78 0.08 -0.52 -4.94 117.98 115.63 1vk0 s PHE 9 Ca 0.24 -0.35 -0.02 0.00 0.12 0.00 0.00 56.93 56.92 1vk0 s PHE 9 Cb -0.12 -1.10 0.14 0.00 -0.57 0.00 0.00 43.02 41.37 1vk0 s PHE 9 CO 0.15 0.02 0.97 1.17 -0.10 0.00 0.00 175.22 177.43 1vk0 n LYS 10 N 2.27 -0.18 0.02 0.44 4.81 -1.26 -0.26 118.16 124.00 1vk0 n LYS 10 Ca -0.16 -2.49 0.11 0.00 -0.87 0.00 0.00 58.31 54.90 1vk0 n LYS 10 Cb 0.53 -0.69 0.06 0.00 0.02 0.00 0.00 35.03 34.95 1vk0 n LYS 10 CO 0.00 0.00 0.00 0.25 1.17 0.00 0.00 177.40 178.82 1vk0 n THR 12 N -2.86 0.12 -0.51 3.15 -2.24 -1.26 -4.96 114.28 105.73 1vk0 n THR 12 Ca 0.15 -0.17 0.09 0.00 -2.27 0.00 0.00 64.05 61.86 1vk0 n THR 12 Cb 0.55 0.29 0.35 0.00 -2.10 0.00 0.00 70.33 69.42 1vk0 n THR 12 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1vk0 n ASP 13 N -1.82 4.57 0.00 3.42 5.75 -1.26 -4.95 116.55 122.26 1vk0 n ASP 13 Ca 0.03 -2.39 0.00 0.00 -0.01 0.00 0.00 54.79 52.42 1vk0 n ASP 13 Cb 0.40 -0.56 0.00 0.00 -1.03 0.00 0.00 41.12 39.93 1vk0 n ASP 13 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1vk0 n GLY 14 N 1.19 2.77 3.71 6.12 0.00 -1.26 -5.04 105.19 112.67 1vk0 n GLY 14 Ca 0.25 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 1vk0 n GLY 14 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1vk0 s SER 15 N -2.22 3.32 -0.06 1.61 1.04 -1.26 -5.00 113.70 111.12 1vk0 s SER 15 Ca 0.00 1.50 0.05 0.00 0.48 0.00 0.00 55.95 57.98 1vk0 s SER 15 Cb 0.00 -2.17 -0.01 0.00 0.10 0.00 0.00 66.02 63.94 1vk0 s SER 15 CO 0.00 -2.74 -0.22 -0.31 0.98 0.00 0.00 173.24 170.96 1vk0 s TYR 16 N -2.91 2.19 -0.23 5.02 1.51 -1.26 -4.32 117.35 117.34 1vk0 s TYR 16 Ca 0.64 -0.69 -0.09 0.00 -1.01 0.00 0.00 57.07 55.92 1vk0 s TYR 16 Cb -0.18 -1.45 -0.04 0.00 -0.11 0.00 0.00 41.96 40.17 1vk0 s TYR 16 CO 0.57 -0.23 0.12 0.08 -1.11 0.00 0.00 175.55 174.98 1vk0 s VAL 17 N 0.00 4.94 0.06 0.71 1.01 0.64 -4.83 120.40 122.93 1vk0 s VAL 17 Ca -0.06 0.03 -0.17 0.00 0.00 0.00 0.00 61.98 61.78 1vk0 s VAL 17 Cb -0.14 -3.29 -0.06 0.00 0.00 0.00 0.00 36.38 32.88 1vk0 s VAL 17 CO 0.04 0.36 0.53 -1.10 0.00 0.00 0.00 175.10 174.92 1vk0 s GLN 18 N 1.15 4.10 0.31 2.72 -0.21 -0.42 -1.44 119.66 125.87 1vk0 s GLN 18 Ca 0.06 0.62 0.10 0.00 0.02 0.00 0.00 55.36 56.17 1vk0 s GLN 18 Cb -0.14 -3.19 -0.05 0.00 1.00 0.00 0.00 33.01 30.62 1vk0 s GLN 18 CO 0.04 0.63 -0.11 0.95 -2.12 0.00 0.00 175.29 174.68 1vk0 s THR 19 N -1.15 2.54 -0.15 -0.19 -4.23 -1.13 -1.39 115.64 109.93 1vk0 s THR 19 Ca 0.29 -2.22 -0.11 0.00 -1.18 0.00 0.00 61.69 58.46 1vk0 s THR 19 Cb -0.18 -2.54 0.05 0.00 1.34 0.00 0.00 72.50 71.16 1vk0 s THR 19 CO 0.18 -0.30 0.39 -0.75 -0.54 0.00 0.00 174.62 173.59 1vk0 s LYS 20 N -3.59 0.42 -0.20 3.99 2.47 -0.80 -1.22 119.74 120.81 1vk0 s LYS 20 Ca 0.32 0.65 0.01 0.00 -1.56 0.00 0.00 55.97 55.39 1vk0 s LYS 20 Cb -0.02 0.10 0.03 0.00 -1.46 0.00 0.00 37.83 36.47 1vk0 s LYS 20 CO 0.17 -0.11 -0.17 0.99 0.16 0.00 0.00 175.35 176.39 1vk0 s THR 21 N 0.78 2.16 -0.22 3.43 2.01 -1.26 -0.60 115.64 121.94 1vk0 s THR 21 Ca -0.05 -1.04 -0.05 0.00 0.31 0.00 0.00 61.69 60.86 1vk0 s THR 21 Cb -0.06 -1.98 -0.02 0.00 0.01 0.00 0.00 72.50 70.46 1vk0 s THR 21 CO -0.06 0.43 0.00 -0.63 -0.69 0.00 0.00 174.62 173.68 1vk0 s ILE 22 N 1.27 3.87 -0.55 1.82 1.01 -0.01 -5.00 121.20 123.61 1vk0 s ILE 22 Ca 0.03 -0.33 -0.28 0.00 0.00 0.00 0.00 60.65 60.06 1vk0 s ILE 22 Cb -0.14 -2.77 0.02 0.00 0.01 0.00 0.00 42.46 39.58 1vk0 s ILE 22 CO -0.11 0.41 1.36 -1.81 0.00 0.00 0.00 174.94 174.79 1vk0 s ASP 23 N 1.26 6.22 -0.15 3.58 1.01 -1.26 -0.63 116.67 126.70 1vk0 s ASP 23 Ca 0.04 0.30 -0.23 0.00 0.71 0.00 0.00 52.55 53.36 1vk0 s ASP 23 Cb -0.15 -2.55 -0.02 0.00 1.01 0.00 0.00 42.92 41.21 1vk0 s ASP 23 CO 0.01 -1.63 0.74 -0.69 0.21 0.00 0.00 175.17 173.80 1vk0 s VAL 24 N 5.75 4.97 0.00 -1.27 1.01 -0.12 -4.95 120.40 125.79 1vk0 s VAL 24 Ca 0.51 1.45 0.00 0.00 0.00 0.00 0.00 61.98 63.94 1vk0 s VAL 24 Cb -0.10 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.22 1vk0 s VAL 24 CO 0.26 0.11 0.00 0.61 0.00 0.00 0.00 175.10 176.08 1vk0 n GLY 25 N 3.46 4.62 0.27 4.51 0.00 -1.26 -3.65 105.19 113.13 1vk0 n GLY 25 Ca 0.01 -2.12 0.14 0.00 0.00 0.00 0.00 46.02 44.05 1vk0 n GLY 25 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1vk0 h SER 26 N 0.00 0.00 0.00 1.61 4.64 -1.96 -3.26 113.55 114.58 1vk0 h SER 26 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vk0 h SER 26 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1vk0 h SER 26 CO 0.00 0.10 0.00 -1.54 -0.87 0.00 0.00 176.83 174.52 1vk0 n SER 27 N -3.41 0.72 -4.65 4.97 3.41 -1.26 -4.57 113.62 108.83 1vk0 n SER 27 Ca -0.01 -0.95 -0.47 0.00 -0.26 0.00 0.00 58.87 57.18 1vk0 n SER 27 Cb 0.27 0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.25 1vk0 n SER 27 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1vk0 n THR 28 N -0.07 0.41 -3.19 6.66 -1.04 -1.23 -4.95 114.28 110.86 1vk0 n THR 28 Ca 0.00 -0.10 -0.43 0.00 -2.04 0.00 0.00 64.05 61.48 1vk0 n THR 28 Cb 0.05 -1.33 -0.07 0.00 -1.82 0.00 0.00 70.33 67.15 1vk0 n THR 28 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1vk0 s ASP 29 N 0.54 6.29 0.00 8.00 3.68 -1.26 -4.87 116.67 129.05 1vk0 s ASP 29 Ca 0.76 -0.37 0.21 0.00 2.13 0.00 0.00 52.55 55.28 1vk0 s ASP 29 Cb -0.73 -2.28 0.01 0.00 -1.45 0.00 0.00 42.92 38.46 1vk0 s ASP 29 CO 0.45 -0.66 1.06 2.30 0.13 0.00 0.00 175.17 178.44 1vk0 n ILE 30 N 5.65 0.00 -0.11 4.11 -5.35 -1.26 -4.46 119.36 117.94 1vk0 n ILE 30 Ca -0.04 -0.30 0.09 0.00 -0.27 0.00 0.00 62.75 62.23 1vk0 n ILE 30 Cb 0.48 1.27 0.43 0.00 -1.74 0.00 0.00 39.64 40.07 1vk0 n ILE 30 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1vk0 h SER 31 N 2.51 0.50 -0.03 7.28 4.64 -1.93 -1.43 113.55 125.10 1vk0 h SER 31 Ca 0.00 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.26 1vk0 h SER 31 Cb 0.74 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.71 1vk0 h SER 31 CO 0.00 0.32 -0.15 -0.65 -0.87 0.00 0.00 176.83 175.48 1vk0 h PRO 32 N 0.57 0.35 -0.01 4.77 0.11 -2.00 0.15 132.00 135.94 1vk0 h PRO 32 Ca 0.27 -0.09 -0.01 0.00 0.11 0.00 0.00 66.00 66.28 1vk0 h PRO 32 Cb 0.34 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.41 1vk0 h PRO 32 CO -0.08 0.50 -0.05 1.88 -0.21 0.00 0.00 178.00 180.04 1vk0 h TYR 33 N 0.32 0.07 -0.98 0.65 0.05 -1.66 -2.07 116.97 113.35 1vk0 h TYR 33 Ca 0.06 -0.03 0.15 0.00 0.05 0.00 0.00 58.73 58.96 1vk0 h TYR 33 Cb 0.46 -0.01 -0.09 0.00 1.01 0.00 0.00 36.73 38.10 1vk0 h TYR 33 CO 0.01 0.70 0.62 -0.07 -1.05 0.00 0.00 178.16 178.36 1vk0 h LEU 34 N -0.58 0.83 -0.75 3.88 3.38 -1.22 -1.46 115.31 119.38 1vk0 h LEU 34 Ca -0.00 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 1vk0 h LEU 34 Cb 0.70 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.33 1vk0 h LEU 34 CO 0.01 0.39 0.02 0.28 0.09 0.00 0.00 178.44 179.23 1vk0 h SER 35 N 0.86 0.94 -0.54 -0.43 0.02 -0.88 0.87 113.55 114.40 1vk0 h SER 35 Ca 0.51 -0.25 -0.07 0.00 -0.84 0.00 0.00 61.79 61.15 1vk0 h SER 35 Cb 0.68 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1vk0 h SER 35 CO -0.29 0.99 0.08 -0.07 -1.14 0.00 0.00 176.83 176.41 1vk0 h LEU 36 N 0.90 0.89 0.09 5.07 3.38 -0.68 0.29 115.31 125.25 1vk0 h LEU 36 Ca 0.17 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.94 1vk0 h LEU 36 Cb 0.50 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1vk0 h LEU 36 CO 0.02 0.90 -0.05 0.40 0.09 0.00 0.00 178.44 179.81 1vk0 h ILE 37 N 0.88 0.97 -0.18 1.22 1.08 -0.40 0.32 117.51 121.40 1vk0 h ILE 37 Ca 0.18 -0.21 0.01 0.00 -0.39 0.00 0.00 64.86 64.44 1vk0 h ILE 37 Cb 0.40 1.11 -0.01 0.00 -3.07 0.00 0.00 36.82 35.24 1vk0 h ILE 37 CO 0.01 0.05 0.10 -0.09 -0.69 0.00 0.00 178.15 177.54 1vk0 h ARG 38 N -0.22 0.21 -0.48 2.37 2.43 -0.67 -0.05 114.38 117.96 1vk0 h ARG 38 Ca -0.01 -0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.19 1vk0 h ARG 38 Cb 0.18 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 1vk0 h ARG 38 CO 0.02 0.14 0.24 1.49 -1.51 0.00 0.00 179.97 180.35 1vk0 h GLU 39 N 0.22 0.45 -0.46 0.20 4.81 -0.32 -1.15 114.58 118.34 1vk0 h GLU 39 Ca 0.07 -0.03 -0.09 0.00 -0.13 0.00 0.00 59.36 59.18 1vk0 h GLU 39 Cb -0.00 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 1vk0 h GLU 39 CO -0.03 0.30 -0.09 0.22 -0.73 0.00 0.00 179.01 178.68 1vk0 h ASP 40 N 0.47 0.80 -0.11 1.04 1.82 -0.62 -1.01 116.42 118.81 1vk0 h ASP 40 Ca 0.21 -0.24 -0.01 0.00 -0.39 0.00 0.00 57.03 56.61 1vk0 h ASP 40 Cb 0.13 -0.22 -0.00 0.00 0.68 0.00 0.00 39.33 39.91 1vk0 h ASP 40 CO -0.15 0.92 0.04 -1.28 -1.61 0.00 0.00 179.24 177.16 1vk0 h SER 41 N 0.74 0.16 0.10 2.28 0.87 -0.43 -0.01 113.55 117.26 1vk0 h SER 41 Ca 0.13 -0.17 -0.00 0.00 -1.23 0.00 0.00 61.79 60.52 1vk0 h SER 41 Cb 0.58 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 1vk0 h SER 41 CO 0.04 0.28 -0.05 0.40 -0.53 0.00 0.00 176.83 176.97 1vk0 h ILE 42 N 0.02 1.01 -0.11 2.23 2.04 -1.09 0.55 117.51 122.17 1vk0 h ILE 42 Ca 0.04 -0.38 -0.22 0.00 1.00 0.00 0.00 64.86 65.29 1vk0 h ILE 42 Cb 0.17 1.25 0.01 0.00 -0.74 0.00 0.00 36.82 37.51 1vk0 h ILE 42 CO -0.00 0.09 -0.83 -0.07 0.00 0.00 0.00 178.15 177.34 1vk0 h LEU 43 N -0.30 0.84 0.00 1.44 3.38 -1.24 -3.40 115.31 116.02 1vk0 h LEU 43 Ca -0.01 -0.58 0.00 0.00 0.09 0.00 0.00 57.88 57.38 1vk0 h LEU 43 Cb 0.25 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1vk0 h LEU 43 CO 0.02 1.37 -0.56 0.59 0.09 0.00 0.00 178.44 179.95 1vk0 n ASN 44 N -3.89 2.79 -0.92 -0.43 3.02 -0.10 -4.82 115.26 110.89 1vk0 n ASN 44 Ca -0.07 -0.22 0.08 0.00 -0.03 0.00 0.00 54.58 54.34 1vk0 n ASN 44 Cb 0.77 1.00 0.21 0.00 -0.61 0.00 0.00 39.78 41.16 1vk0 n ASN 44 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1vk0 n GLY 45 N 1.84 2.49 3.44 7.41 0.00 0.18 -4.94 105.19 115.60 1vk0 n GLY 45 Ca -0.00 -0.55 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 1vk0 n GLY 45 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1vk0 n ASN 46 N 0.99 -5.54 -2.01 1.61 5.03 -0.64 -2.98 115.26 111.72 1vk0 n ASN 46 Ca 0.17 -0.49 -0.18 0.00 0.87 0.00 0.00 54.58 54.95 1vk0 n ASN 46 Cb 0.50 -4.44 -0.02 0.00 -1.02 0.00 0.00 39.78 34.81 1vk0 n ASN 46 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 1vk0 n ARG 47 N -4.41 -1.44 -4.28 3.52 1.74 -0.22 -4.94 116.66 106.62 1vk0 n ARG 47 Ca -0.03 0.91 -0.35 0.00 -0.77 0.00 0.00 57.85 57.61 1vk0 n ARG 47 Cb 0.57 -5.40 -0.09 0.00 -1.02 0.00 0.00 32.46 26.52 1vk0 n ARG 47 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1vk0 s ALA 48 N -2.89 3.36 -0.12 7.54 0.00 -1.16 -0.73 121.76 127.76 1vk0 s ALA 48 Ca 0.00 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.20 1vk0 s ALA 48 Cb 0.00 -1.58 0.01 0.00 0.00 0.00 0.00 23.12 21.56 1vk0 s ALA 48 CO 0.00 0.54 -0.16 0.08 0.00 0.00 0.00 175.76 176.22 1vk0 s VAL 49 N -0.74 1.59 0.08 0.00 1.01 0.40 -4.78 120.40 117.95 1vk0 s VAL 49 Ca 0.12 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.25 1vk0 s VAL 49 Cb -0.12 -1.45 -0.06 0.00 0.00 0.00 0.00 36.38 34.75 1vk0 s VAL 49 CO 0.02 0.46 0.50 -0.63 0.00 0.00 0.00 175.10 175.45 1vk0 s ILE 50 N 1.01 4.90 0.14 2.22 1.09 0.17 -0.48 121.20 130.25 1vk0 s ILE 50 Ca -0.06 0.89 -0.05 0.00 -1.10 0.00 0.00 60.65 60.33 1vk0 s ILE 50 Cb -0.15 -3.76 -0.02 0.00 -1.06 0.00 0.00 42.46 37.47 1vk0 s ILE 50 CO -0.03 0.43 0.16 0.72 -0.10 0.00 0.00 174.94 176.13 1vk0 s PHE 51 N -1.25 0.57 0.13 3.97 -0.12 0.03 0.30 117.98 121.61 1vk0 s PHE 51 Ca 0.31 -0.96 -0.14 0.00 -0.05 0.00 0.00 56.93 56.09 1vk0 s PHE 51 Cb -0.17 -0.25 0.02 0.00 -0.63 0.00 0.00 43.02 42.00 1vk0 s PHE 51 CO 0.17 -0.60 0.35 0.34 -0.05 0.00 0.00 175.22 175.43 1vk0 s ASP 52 N -2.99 -0.12 0.11 1.98 -1.08 -0.81 -4.43 116.67 109.33 1vk0 s ASP 52 Ca 0.18 -0.47 0.05 0.00 -0.52 0.00 0.00 52.55 51.80 1vk0 s ASP 52 Cb 0.05 0.45 -0.04 0.00 -1.46 0.00 0.00 42.92 41.92 1vk0 s ASP 52 CO -0.01 -0.84 -0.13 0.68 0.52 0.00 0.00 175.17 175.39 1vk0 s VAL 53 N -3.84 1.22 -0.05 1.11 -7.23 -1.26 -1.29 120.40 109.05 1vk0 s VAL 53 Ca 0.05 -1.65 0.01 0.00 -1.81 0.00 0.00 61.98 58.59 1vk0 s VAL 53 Cb 0.02 -1.43 0.02 0.00 0.56 0.00 0.00 36.38 35.55 1vk0 s VAL 53 CO -0.10 -0.42 -0.06 -0.31 -0.31 0.00 0.00 175.10 173.90 1vk0 s TYR 54 N -2.09 0.96 -0.04 2.82 1.51 -0.48 -5.01 117.35 115.01 1vk0 s TYR 54 Ca 0.07 -0.31 0.01 0.00 -1.01 0.00 0.00 57.07 55.82 1vk0 s TYR 54 Cb -0.05 -0.80 -0.03 0.00 -0.11 0.00 0.00 41.96 40.97 1vk0 s TYR 54 CO 0.02 -0.23 -0.04 -1.58 -1.11 0.00 0.00 175.55 172.61 1vk0 s TRP 55 N 0.94 3.00 -0.19 2.71 0.52 -1.26 -0.31 118.94 124.34 1vk0 s TRP 55 Ca -0.11 0.06 -0.24 0.00 0.02 0.00 0.00 56.10 55.83 1vk0 s TRP 55 Cb -0.15 -1.70 -0.02 0.00 -1.15 0.00 0.00 33.47 30.46 1vk0 s TRP 55 CO 0.00 0.39 0.78 0.34 0.02 0.00 0.00 176.95 178.49 1vk0 s ASP 56 N -1.09 6.86 -0.04 2.95 3.68 0.71 -4.80 116.67 124.93 1vk0 s ASP 56 Ca 0.15 1.06 -0.25 0.00 2.13 0.00 0.00 52.55 55.64 1vk0 s ASP 56 Cb -0.11 -2.42 -0.04 0.00 -1.45 0.00 0.00 42.92 38.90 1vk0 s ASP 56 CO 0.04 -0.39 0.76 -0.69 0.13 0.00 0.00 175.17 175.02 1vk0 s VAL 57 N 2.24 4.98 0.31 1.11 1.01 -1.26 -1.16 120.40 127.62 1vk0 s VAL 57 Ca 0.35 1.58 0.07 0.00 0.00 0.00 0.00 61.98 63.99 1vk0 s VAL 57 Cb -0.16 -4.10 -0.06 0.00 0.00 0.00 0.00 36.38 32.06 1vk0 s VAL 57 CO 0.11 0.25 -0.06 -0.83 0.00 0.00 0.00 175.10 174.56 1vk0 s GLY 58 N 0.73 1.99 -0.27 4.51 0.00 -1.05 -4.96 107.32 108.27 1vk0 s GLY 58 Ca 0.40 -1.99 -0.06 0.00 0.00 0.00 0.00 44.72 43.08 1vk0 s GLY 58 CO 0.21 -1.92 0.04 -1.36 0.00 0.00 0.00 173.10 170.07 1vk0 s PHE 59 N -2.88 3.10 0.00 1.90 2.99 -1.26 -4.57 117.98 117.26 1vk0 s PHE 59 Ca 0.31 -0.96 0.00 0.00 0.00 0.00 0.00 56.93 56.28 1vk0 s PHE 59 Cb 0.04 -2.20 0.00 0.00 0.00 0.00 0.00 43.02 40.85 1vk0 s PHE 59 CO 0.14 -0.56 0.00 -2.37 -0.00 0.00 0.00 175.22 172.43 1vk0 n THR 66 N 4.84 0.00 0.28 0.64 5.66 -1.26 -4.58 114.28 119.87 1vk0 n THR 66 Ca -0.16 0.00 0.14 0.00 -3.05 0.00 0.00 64.05 60.99 1vk0 n THR 66 Cb 0.49 0.00 0.85 0.00 -1.55 0.00 0.00 70.33 70.12 1vk0 n THR 66 CO 0.00 0.00 0.00 0.11 -3.05 0.00 0.00 175.07 172.13 1vk0 h LYS 67 N 0.88 0.00 -0.10 1.09 6.56 -2.06 -1.83 116.57 121.11 1vk0 h LYS 67 Ca 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.59 1vk0 h LYS 67 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 31.66 1vk0 h LYS 67 CO 0.00 0.05 0.00 0.25 -2.06 0.00 0.00 179.45 177.69 1vk0 n THR 68 N -3.74 0.13 0.50 -0.16 -2.24 -1.26 -4.24 114.28 103.27 1vk0 n THR 68 Ca -0.02 -0.28 0.11 0.00 -2.27 0.00 0.00 64.05 61.58 1vk0 n THR 68 Cb 0.15 0.33 0.44 0.00 -2.10 0.00 0.00 70.33 69.14 1vk0 n THR 68 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1vk0 n SER 69 N 0.15 0.46 -0.29 3.42 3.41 -0.69 -1.86 113.62 118.22 1vk0 n SER 69 Ca 0.17 0.60 0.14 0.00 -0.26 0.00 0.00 58.87 59.51 1vk0 n SER 69 Cb 0.31 -0.70 0.51 0.00 -0.26 0.00 0.00 64.21 64.07 1vk0 n SER 69 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1vk0 n GLY 70 N 0.30 -0.47 3.72 5.00 0.00 -1.26 -4.85 105.19 107.63 1vk0 n GLY 70 Ca 0.03 -0.38 -0.42 0.00 0.00 0.00 0.00 46.02 45.26 1vk0 n GLY 70 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1vk0 s TRP 71 N -2.28 3.39 -0.05 1.61 0.52 -0.77 -2.52 118.94 118.84 1vk0 s TRP 71 Ca 0.32 1.28 0.04 0.00 0.02 0.00 0.00 56.10 57.76 1vk0 s TRP 71 Cb 0.20 -3.48 -0.00 0.00 -1.15 0.00 0.00 33.47 29.04 1vk0 s TRP 71 CO 0.43 -1.47 -0.17 0.45 0.02 0.00 0.00 176.95 176.21 1vk0 s SER 72 N 0.68 2.18 -0.10 2.95 0.15 -0.31 -4.92 113.70 114.33 1vk0 s SER 72 Ca 0.57 -0.36 -0.29 0.00 0.70 0.00 0.00 55.95 56.57 1vk0 s SER 72 Cb -0.32 -0.66 -0.04 0.00 -1.71 0.00 0.00 66.02 63.28 1vk0 s SER 72 CO 0.33 0.14 1.56 -0.22 1.20 0.00 0.00 173.24 176.25 1vk0 s LEU 73 N 0.11 4.25 -0.19 3.45 2.96 -1.26 -0.21 118.68 127.78 1vk0 s LEU 73 Ca -0.06 2.05 0.11 0.00 -0.22 0.00 0.00 54.13 56.01 1vk0 s LEU 73 Cb -0.12 -3.53 -0.19 0.00 0.50 0.00 0.00 46.19 42.84 1vk0 s LEU 73 CO 0.03 -0.92 -0.03 -0.24 -1.32 0.00 0.00 176.35 173.86 1vk0 n SER 74 N 7.15 1.23 -3.44 3.68 2.88 0.57 -4.76 113.62 120.92 1vk0 n SER 74 Ca 0.17 -0.04 -0.12 0.00 -1.33 0.00 0.00 58.87 57.54 1vk0 n SER 74 Cb 0.43 0.47 -0.03 0.00 -0.75 0.00 0.00 64.21 64.34 1vk0 n SER 74 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1vk0 s SER 75 N -5.53 -0.55 0.03 -3.46 1.04 -0.80 -1.40 113.70 103.03 1vk0 s SER 75 Ca -0.16 0.09 0.04 0.00 0.48 0.00 0.00 55.95 56.39 1vk0 s SER 75 Cb 0.06 0.56 -0.02 0.00 0.10 0.00 0.00 66.02 66.72 1vk0 s SER 75 CO 0.65 -0.87 -0.11 0.68 0.98 0.00 0.00 173.24 174.57 1vk0 s VAL 76 N -3.32 0.82 -0.11 5.02 -7.23 -0.62 -1.38 120.40 113.58 1vk0 s VAL 76 Ca -0.00 -0.90 0.00 0.00 -1.81 0.00 0.00 61.98 59.28 1vk0 s VAL 76 Cb -0.01 -0.78 -0.02 0.00 0.56 0.00 0.00 36.38 36.13 1vk0 s VAL 76 CO -0.09 -0.10 -0.11 -0.75 -0.31 0.00 0.00 175.10 173.74 1vk0 s LYS 77 N -1.11 3.14 -0.14 4.82 2.20 -0.41 -1.17 119.74 127.07 1vk0 s LYS 77 Ca -0.02 -0.64 0.01 0.00 -0.36 0.00 0.00 55.97 54.96 1vk0 s LYS 77 Cb -0.08 -2.61 0.02 0.00 -1.51 0.00 0.00 37.83 33.65 1vk0 s LYS 77 CO 0.01 0.37 -0.16 -0.51 -0.36 0.00 0.00 175.35 174.71 1vk0 s LEU 78 N -0.05 1.77 -0.04 5.43 1.43 0.66 -1.93 118.68 125.95 1vk0 s LEU 78 Ca -0.02 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 52.65 1vk0 s LEU 78 Cb -0.14 -1.21 -0.02 0.00 0.03 0.00 0.00 46.19 44.85 1vk0 s LEU 78 CO 0.04 -0.03 -0.23 -0.44 0.23 0.00 0.00 176.35 175.92 1vk0 s SER 79 N 1.32 3.32 0.49 2.29 0.01 0.15 -0.02 113.70 121.26 1vk0 s SER 79 Ca 0.02 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 56.88 1vk0 s SER 79 Cb -0.13 -0.57 0.01 0.00 0.21 0.00 0.00 66.02 65.53 1vk0 s SER 79 CO -0.09 0.31 0.04 0.35 0.41 0.00 0.00 173.24 174.27 1vk0 n THR 80 N 2.51 0.00 -0.34 1.44 -2.24 0.26 -0.65 114.28 115.26 1vk0 n THR 80 Ca -0.17 -2.29 -0.01 0.00 -2.27 0.00 0.00 64.05 59.32 1vk0 n THR 80 Cb 0.51 0.41 0.12 0.00 -2.10 0.00 0.00 70.33 69.28 1vk0 n THR 80 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 1vk0 h ARG 81 N 0.00 1.11 0.00 -0.78 2.43 -1.93 -3.06 114.38 112.15 1vk0 h ARG 81 Ca -0.40 -0.07 -0.21 0.00 -0.81 0.00 0.00 59.98 58.49 1vk0 h ARG 81 Cb 1.23 -0.25 -0.03 0.00 -0.42 0.00 0.00 29.97 30.49 1vk0 h ARG 81 CO 0.66 0.73 -1.24 -0.91 -1.51 0.00 0.00 179.97 177.70 1vk0 h ASN 82 N 1.14 0.00 -4.45 -3.80 2.35 -1.96 -3.44 115.58 105.42 1vk0 h ASN 82 Ca 0.36 0.00 -0.37 0.00 -0.55 0.00 0.00 56.30 55.75 1vk0 h ASN 82 Cb 0.01 0.00 -0.20 0.00 0.05 0.00 0.00 38.32 38.18 1vk0 h ASN 82 CO -0.12 0.84 -0.76 -0.76 -1.65 0.00 0.00 177.43 174.98 1vk0 s LEU 83 N -6.28 2.32 -0.13 1.61 1.43 -1.16 -1.30 118.68 115.17 1vk0 s LEU 83 Ca -0.01 -0.68 -0.04 0.00 -1.03 0.00 0.00 54.13 52.37 1vk0 s LEU 83 Cb 0.09 -0.41 0.05 0.00 0.03 0.00 0.00 46.19 45.95 1vk0 s LEU 83 CO 0.81 -0.15 0.09 0.00 0.23 0.00 0.00 176.35 177.33 1vk0 s LEU 85 N 2.17 3.67 -0.18 0.00 2.96 0.97 -1.91 118.68 126.36 1vk0 s LEU 85 Ca 0.03 -0.01 -0.05 0.00 -0.22 0.00 0.00 54.13 53.88 1vk0 s LEU 85 Cb -0.15 -1.94 -0.03 0.00 0.50 0.00 0.00 46.19 44.58 1vk0 s LEU 85 CO -0.07 0.12 0.00 -0.36 -1.32 0.00 0.00 176.35 174.72 1vk0 s PHE 86 N 0.68 3.09 -0.24 5.38 0.08 0.23 -0.24 117.98 126.96 1vk0 s PHE 86 Ca 0.03 -0.24 -0.02 0.00 0.12 0.00 0.00 56.93 56.82 1vk0 s PHE 86 Cb -0.13 -2.03 0.02 0.00 -0.57 0.00 0.00 43.02 40.30 1vk0 s PHE 86 CO 0.02 -0.05 -0.07 -0.51 -0.10 0.00 0.00 175.22 174.51 1vk0 s LEU 87 N 0.58 3.06 -0.32 -0.37 1.43 -0.32 -0.83 118.68 121.91 1vk0 s LEU 87 Ca -0.00 -0.77 -0.15 0.00 -1.03 0.00 0.00 54.13 52.18 1vk0 s LEU 87 Cb -0.14 -1.66 -0.02 0.00 0.03 0.00 0.00 46.19 44.39 1vk0 s LEU 87 CO 0.02 -0.10 0.34 -0.13 0.23 0.00 0.00 176.35 176.71 1vk0 s ARG 88 N 1.35 3.71 0.13 1.70 0.52 0.19 -1.59 118.95 124.96 1vk0 s ARG 88 Ca 0.02 -0.31 -0.12 0.00 -0.52 0.00 0.00 55.73 54.79 1vk0 s ARG 88 Cb -0.16 -3.75 -0.07 0.00 0.52 0.00 0.00 34.95 31.49 1vk0 s ARG 88 CO -0.05 -0.42 0.50 -0.51 0.02 0.00 0.00 175.30 174.83 1vk0 s LEU 89 N 1.99 4.34 0.84 2.53 1.43 -0.49 -0.94 118.68 128.36 1vk0 s LEU 89 Ca 0.12 0.97 -0.13 0.00 -1.03 0.00 0.00 54.13 54.06 1vk0 s LEU 89 Cb -0.16 -3.18 0.10 0.00 0.03 0.00 0.00 46.19 42.98 1vk0 s LEU 89 CO 0.11 0.12 1.20 -2.16 0.23 0.00 0.00 176.35 175.85 1vk0 s PRO 90 N -1.97 1.73 -0.08 1.29 0.04 -1.24 -4.89 135.00 129.88 1vk0 s PRO 90 Ca 0.36 0.05 -0.15 0.00 0.04 0.00 0.00 61.00 61.31 1vk0 s PRO 90 Cb -0.14 -1.93 -0.11 0.00 0.04 0.00 0.00 34.50 32.35 1vk0 s PRO 90 CO 0.19 -1.75 0.53 -0.22 0.04 0.00 0.00 177.00 175.79 1vk0 h LYS 91 N -1.17 -0.15 -6.00 4.56 1.63 -1.94 -3.38 116.57 110.12 1vk0 h LYS 91 Ca -0.46 0.01 -0.59 0.00 -0.85 0.00 0.00 60.65 58.76 1vk0 h LYS 91 Cb 1.32 0.03 -0.08 0.00 -0.60 0.00 0.00 32.23 32.90 1vk0 h LYS 91 CO 0.62 0.20 0.63 -1.25 -3.45 0.00 0.00 179.45 176.20 1vk0 s PRO 92 N -2.58 4.10 0.23 1.90 0.04 -1.26 -5.02 135.00 132.42 1vk0 s PRO 92 Ca -0.09 0.97 -0.30 0.00 0.04 0.00 0.00 61.00 61.62 1vk0 s PRO 92 Cb -0.00 -3.69 -0.09 0.00 0.04 0.00 0.00 34.50 30.75 1vk0 s PRO 92 CO 0.32 -0.70 1.30 -0.06 0.04 0.00 0.00 177.00 177.90 1vk0 s PHE 93 N 3.19 3.23 0.45 0.56 0.08 -1.26 -4.97 117.98 119.25 1vk0 s PHE 93 Ca 0.39 1.29 0.05 0.00 0.12 0.00 0.00 56.93 58.78 1vk0 s PHE 93 Cb -0.14 -3.61 0.05 0.00 -0.57 0.00 0.00 43.02 38.76 1vk0 s PHE 93 CO 0.11 -1.81 0.45 0.72 -0.10 0.00 0.00 175.22 174.59 1vk0 n HIS 94 N 2.13 -1.42 0.21 0.36 8.25 -1.26 -5.00 115.22 118.48 1vk0 n HIS 94 Ca 0.04 -1.80 0.15 0.00 -0.26 0.00 0.00 57.72 55.86 1vk0 n HIS 94 Cb 0.43 -0.39 0.79 0.00 1.12 0.00 0.00 29.99 31.93 1vk0 n HIS 94 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 1vk0 h ASP 95 N 0.35 0.00 0.56 0.41 5.19 -1.97 -0.23 116.42 120.74 1vk0 h ASP 95 Ca -0.25 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.16 1vk0 h ASP 95 Cb 1.01 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.52 1vk0 h ASP 95 CO 0.39 0.00 0.00 -0.55 -3.12 0.00 0.00 179.24 175.96 1vk0 h ASN 96 N 0.00 0.00 0.38 6.45 -1.07 -1.90 -1.92 115.58 117.52 1vk0 h ASN 96 Ca 0.08 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.45 1vk0 h ASN 96 Cb 0.37 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.62 1vk0 h ASN 96 CO -0.00 0.00 -0.02 0.18 0.07 0.00 0.00 177.43 177.66 1vk0 n LEU 97 N -2.81 0.10 0.22 6.14 4.77 -0.10 -3.57 117.00 121.75 1vk0 n LEU 97 Ca -0.00 0.15 0.06 0.00 -0.03 0.00 0.00 56.01 56.20 1vk0 n LEU 97 Cb 0.19 -0.19 0.50 0.00 -2.33 0.00 0.00 43.42 41.60 1vk0 n LEU 97 CO 0.22 0.02 0.84 0.11 -1.33 0.00 0.00 177.39 177.25 1vk0 h LYS 98 N 0.13 0.00 -0.82 3.23 1.57 -1.51 -0.80 116.57 118.37 1vk0 h LYS 98 Ca 0.00 0.00 0.12 0.00 -1.87 0.00 0.00 60.65 58.90 1vk0 h LYS 98 Cb 0.23 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.48 1vk0 h LYS 98 CO 0.00 0.24 0.54 -0.44 -0.57 0.00 0.00 179.45 179.22 1vk0 h ASP 99 N 0.00 0.60 -0.27 0.86 3.32 -1.77 -1.12 116.42 118.05 1vk0 h ASP 99 Ca -0.00 0.03 -0.19 0.00 0.02 0.00 0.00 57.03 56.88 1vk0 h ASP 99 Cb 0.48 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.94 1vk0 h ASP 99 CO 0.03 0.33 -0.59 0.25 -1.72 0.00 0.00 179.24 177.54 1vk0 h LEU 100 N 0.65 0.98 -0.49 1.55 5.85 -1.40 -0.34 115.31 122.12 1vk0 h LEU 100 Ca 0.40 -0.55 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 1vk0 h LEU 100 Cb 0.63 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1vk0 h LEU 100 CO -0.16 1.35 0.26 1.88 -0.34 0.00 0.00 178.44 181.44 1vk0 h TYR 101 N 0.66 0.67 -0.26 1.25 -1.99 -1.26 -0.98 116.97 115.06 1vk0 h TYR 101 Ca 0.00 -0.02 -0.10 0.00 2.00 0.00 0.00 58.73 60.61 1vk0 h TYR 101 Cb 1.21 -0.21 -0.01 0.00 2.00 0.00 0.00 36.73 39.71 1vk0 h TYR 101 CO 0.08 0.51 -0.28 0.00 -0.00 0.00 0.00 178.16 178.46 1vk0 h ARG 102 N 0.65 0.51 -0.33 4.88 3.08 -1.06 -1.24 114.38 120.87 1vk0 h ARG 102 Ca 0.17 -0.21 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1vk0 h ARG 102 Cb 0.06 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1vk0 h ARG 102 CO -0.03 0.75 -0.01 0.35 -1.07 0.00 0.00 179.97 179.96 1vk0 h PHE 103 N 0.44 0.65 0.00 3.04 3.57 -0.60 -2.87 116.94 121.17 1vk0 h PHE 103 Ca 0.06 -0.12 -0.03 0.00 3.53 0.00 0.00 57.97 61.41 1vk0 h PHE 103 Cb 0.72 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.29 1vk0 h PHE 103 CO 0.03 0.72 -0.13 0.74 -2.23 0.00 0.00 178.31 177.44 1vk0 h PHE 104 N 0.39 0.00 -0.00 0.41 0.05 -1.00 -2.19 116.94 114.60 1vk0 h PHE 104 Ca 0.09 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.88 1vk0 h PHE 104 Cb 0.47 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.42 1vk0 h PHE 104 CO 0.04 0.13 -0.14 0.00 -0.18 0.00 0.00 178.31 178.16 1vk0 n ALA 105 N -2.21 2.76 -1.76 2.45 0.00 -0.48 -3.54 120.51 117.72 1vk0 n ALA 105 Ca -0.01 -0.22 -0.39 0.00 0.00 0.00 0.00 53.44 52.82 1vk0 n ALA 105 Cb 0.31 -1.35 0.01 0.00 0.00 0.00 0.00 19.45 18.43 1vk0 n ALA 105 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1vk0 s SER 106 N -2.73 5.92 -0.11 0.00 0.15 -0.83 -4.43 113.70 111.68 1vk0 s SER 106 Ca 0.21 2.78 0.18 0.00 0.70 0.00 0.00 55.95 59.82 1vk0 s SER 106 Cb 0.19 -2.64 0.70 0.00 -1.71 0.00 0.00 66.02 62.56 1vk0 s SER 106 CO 0.53 -1.13 1.61 0.29 1.20 0.00 0.00 173.24 175.74 1vk0 n LYS 107 N -0.25 3.70 0.08 5.44 5.02 -1.26 -4.36 118.16 126.53 1vk0 n LYS 107 Ca 0.06 -2.87 -0.06 0.00 -2.02 0.00 0.00 58.31 53.42 1vk0 n LYS 107 Cb 0.43 -1.87 -0.05 0.00 -0.02 0.00 0.00 35.03 33.52 1vk0 n LYS 107 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1vk0 h PHE 108 N 3.91 0.04 -3.54 2.13 0.04 -1.95 -3.46 116.94 114.11 1vk0 h PHE 108 Ca 0.00 -0.03 -0.32 0.00 2.80 0.00 0.00 57.97 60.43 1vk0 h PHE 108 Cb 1.44 -0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.44 1vk0 h PHE 108 CO 0.74 0.92 -0.68 0.14 -0.60 0.00 0.00 178.31 178.83 1vk0 s VAL 109 N -2.95 0.92 -0.20 -0.55 -7.23 -1.26 -4.85 120.40 104.27 1vk0 s VAL 109 Ca 0.00 -2.01 -0.08 0.00 -1.81 0.00 0.00 61.98 58.07 1vk0 s VAL 109 Cb 0.11 -2.05 -0.04 0.00 0.56 0.00 0.00 36.38 34.95 1vk0 s VAL 109 CO 0.81 -0.56 0.09 -0.89 -0.31 0.00 0.00 175.10 174.24 1vk0 s THR 110 N -3.49 4.89 -0.32 5.32 2.01 0.09 -4.84 115.64 119.30 1vk0 s THR 110 Ca 0.22 0.01 -0.21 0.00 0.31 0.00 0.00 61.69 62.02 1vk0 s THR 110 Cb 0.05 -3.23 -0.00 0.00 0.01 0.00 0.00 72.50 69.32 1vk0 s THR 110 CO 0.03 0.42 0.65 -0.36 -0.69 0.00 0.00 174.62 174.67 1vk0 s PHE 111 N 0.64 3.19 -0.23 4.92 0.08 0.30 -0.45 117.98 126.43 1vk0 s PHE 111 Ca 0.05 0.54 -0.06 0.00 0.12 0.00 0.00 56.93 57.58 1vk0 s PHE 111 Cb -0.13 -3.06 -0.02 0.00 -0.57 0.00 0.00 43.02 39.25 1vk0 s PHE 111 CO 0.01 -0.53 0.01 0.08 -0.10 0.00 0.00 175.22 174.70 1vk0 s VAL 112 N 2.68 3.85 0.24 -0.44 1.01 0.37 -0.65 120.40 127.45 1vk0 s VAL 112 Ca 0.26 -0.33 0.04 0.00 0.00 0.00 0.00 61.98 61.94 1vk0 s VAL 112 Cb -0.15 -2.78 -0.05 0.00 0.00 0.00 0.00 36.38 33.40 1vk0 s VAL 112 CO 0.13 0.38 -0.01 -0.83 0.00 0.00 0.00 175.10 174.77 1vk0 s GLY 113 N 1.51 1.58 -0.16 4.51 0.00 -0.45 -0.79 107.32 113.52 1vk0 s GLY 113 Ca 0.06 -1.78 -0.01 0.00 0.00 0.00 0.00 44.72 42.99 1vk0 s GLY 113 CO 0.00 -1.68 -0.11 0.14 0.00 0.00 0.00 173.10 171.45 1vk0 s VAL 114 N -3.39 3.03 -1.01 1.40 1.01 -1.26 -1.29 120.40 118.89 1vk0 s VAL 114 Ca 0.29 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.51 1vk0 s VAL 114 Cb 0.06 -2.31 -0.02 0.00 0.00 0.00 0.00 36.38 34.11 1vk0 s VAL 114 CO 0.09 0.49 0.79 0.00 0.00 0.00 0.00 175.10 176.48 1vk0 n GLN 115 N 4.05 -1.53 -0.11 2.72 1.13 -1.26 -4.94 117.38 117.44 1vk0 n GLN 115 Ca -0.18 0.80 0.06 0.00 -1.94 0.00 0.00 57.00 55.74 1vk0 n GLN 115 Cb 0.52 -4.72 0.12 0.00 0.11 0.00 0.00 30.24 26.26 1vk0 n GLN 115 CO 0.00 0.00 0.00 0.44 -1.44 0.00 0.00 177.06 176.06 1vk0 n ILE 116 N -3.31 0.55 -0.02 5.09 -5.35 -1.26 -4.68 119.36 110.38 1vk0 n ILE 116 Ca -0.09 -0.78 -0.11 0.00 -0.27 0.00 0.00 62.75 61.50 1vk0 n ILE 116 Cb 0.59 0.84 -0.05 0.00 -1.74 0.00 0.00 39.64 39.27 1vk0 n ILE 116 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 1vk0 h GLU 117 N 2.30 0.17 -0.51 6.28 4.81 -1.99 -0.04 114.58 125.60 1vk0 h GLU 117 Ca 0.00 -0.02 -0.09 0.00 -0.13 0.00 0.00 59.36 59.12 1vk0 h GLU 117 Cb 0.64 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 1vk0 h GLU 117 CO 0.00 0.20 -0.04 0.93 -0.73 0.00 0.00 179.01 179.38 1vk0 h GLU 118 N 0.10 0.92 -0.53 1.92 4.39 -2.01 -2.83 114.58 116.54 1vk0 h GLU 118 Ca 0.04 -0.31 0.08 0.00 0.34 0.00 0.00 59.36 59.51 1vk0 h GLU 118 Cb 0.08 -0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 28.59 1vk0 h GLU 118 CO -0.01 0.96 0.17 -0.44 -1.16 0.00 0.00 179.01 178.53 1vk0 h ASP 119 N 0.78 0.14 -0.51 1.42 3.32 -1.73 -1.35 116.42 118.49 1vk0 h ASP 119 Ca 0.14 0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.30 1vk0 h ASP 119 Cb 0.57 0.07 -0.04 0.00 0.22 0.00 0.00 39.33 40.16 1vk0 h ASP 119 CO 0.03 0.10 0.29 -0.07 -1.72 0.00 0.00 179.24 177.87 1vk0 h LEU 120 N 0.33 0.45 -0.32 1.55 3.38 -0.90 0.23 115.31 120.02 1vk0 h LEU 120 Ca 0.26 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.24 1vk0 h LEU 120 Cb 0.32 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 1vk0 h LEU 120 CO -0.29 0.31 0.19 0.44 0.09 0.00 0.00 178.44 179.18 1vk0 h ASP 121 N 0.57 0.40 -0.48 -0.43 3.32 -1.23 -0.30 116.42 118.26 1vk0 h ASP 121 Ca 0.21 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 1vk0 h ASP 121 Cb 0.07 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1vk0 h ASP 121 CO -0.12 0.35 0.23 -0.07 -1.72 0.00 0.00 179.24 177.91 1vk0 h LEU 122 N 0.41 0.63 -0.40 1.55 3.38 -1.07 0.33 115.31 120.14 1vk0 h LEU 122 Ca 0.12 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 57.99 1vk0 h LEU 122 Cb 0.03 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1vk0 h LEU 122 CO -0.02 0.59 0.18 -0.07 0.09 0.00 0.00 178.44 179.21 1vk0 h LEU 123 N 0.63 0.24 0.23 1.67 3.38 -0.39 0.11 115.31 121.19 1vk0 h LEU 123 Ca 0.16 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 58.15 1vk0 h LEU 123 Cb 0.13 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.87 1vk0 h LEU 123 CO -0.02 0.18 -0.11 -0.09 0.09 0.00 0.00 178.44 178.49 1vk0 h ARG 124 N 0.37 -0.30 -0.74 1.13 2.43 -0.82 -1.67 114.38 114.79 1vk0 h ARG 124 Ca 0.18 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.36 1vk0 h ARG 124 Cb 0.11 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 29.70 1vk0 h ARG 124 CO -0.15 0.03 0.45 0.93 -1.51 0.00 0.00 179.97 179.72 1vk0 h GLU 125 N -0.65 1.00 0.00 0.20 5.08 -0.34 -2.08 114.58 117.78 1vk0 h GLU 125 Ca -0.03 -0.09 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1vk0 h GLU 125 Cb 0.46 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 1vk0 h GLU 125 CO 0.05 0.70 -1.72 0.09 -1.00 0.00 0.00 179.01 177.14 1vk0 n ASN 126 N -4.52 0.31 0.00 1.42 4.13 0.39 -4.55 115.26 112.43 1vk0 n ASN 126 Ca 0.07 0.12 0.00 0.00 1.68 0.00 0.00 54.58 56.45 1vk0 n ASN 126 Cb 0.05 1.32 0.00 0.00 -1.54 0.00 0.00 39.78 39.61 1vk0 n ASN 126 CO 0.00 0.00 0.00 1.41 0.28 0.00 0.00 177.26 178.95 1vk0 n HIS 127 N -2.47 0.00 -2.60 3.10 8.25 -0.77 -5.01 115.22 115.71 1vk0 n HIS 127 Ca -0.06 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.21 1vk0 n HIS 127 Cb 0.64 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.76 1vk0 n HIS 127 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1vk0 n GLY 128 N 0.31 -0.36 3.56 -1.41 0.00 -0.78 -4.98 105.19 101.53 1vk0 n GLY 128 Ca 0.00 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.58 1vk0 n GLY 128 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1vk0 s LEU 129 N -5.45 3.80 -0.12 0.99 0.20 -0.70 -4.95 118.68 112.46 1vk0 s LEU 129 Ca 0.12 -0.04 0.02 0.00 0.69 0.00 0.00 54.13 54.92 1vk0 s LEU 129 Cb -0.05 -2.02 -0.01 0.00 -0.43 0.00 0.00 46.19 43.68 1vk0 s LEU 129 CO 0.15 0.02 -0.19 -0.69 -0.29 0.00 0.00 176.35 175.35 1vk0 s VAL 130 N 1.33 2.54 -0.42 1.68 1.01 -1.26 -2.77 120.40 122.50 1vk0 s VAL 130 Ca 0.06 -0.85 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 1vk0 s VAL 130 Cb -0.15 -2.02 0.08 0.00 0.00 0.00 0.00 36.38 34.29 1vk0 s VAL 130 CO 0.05 0.54 0.26 -0.63 0.00 0.00 0.00 175.10 175.33 1vk0 s ILE 131 N 0.36 4.23 0.30 2.22 1.01 -1.26 -3.74 121.20 124.32 1vk0 s ILE 131 Ca -0.15 -1.42 0.12 0.00 0.00 0.00 0.00 60.65 59.20 1vk0 s ILE 131 Cb -0.17 -3.60 0.02 0.00 0.01 0.00 0.00 42.46 38.72 1vk0 s ILE 131 CO 0.07 -0.52 1.69 0.03 0.00 0.00 0.00 174.94 176.21 1vk0 h ARG 132 N 8.41 0.00 -3.03 2.79 3.08 -1.77 -3.38 114.38 120.47 1vk0 h ARG 132 Ca -0.23 0.00 -0.62 0.00 0.07 0.00 0.00 59.98 59.20 1vk0 h ARG 132 Cb 1.08 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.72 1vk0 h ARG 132 CO 0.76 0.53 -0.65 1.21 -1.07 0.00 0.00 179.97 180.75 1vk0 s ASN 133 N -6.85 4.20 0.18 7.04 3.04 -1.26 -5.09 114.94 116.20 1vk0 s ASN 133 Ca -0.02 -3.51 0.09 0.00 0.04 0.00 0.00 52.86 49.46 1vk0 s ASN 133 Cb 0.13 -1.43 -0.04 0.00 -1.54 0.00 0.00 41.25 38.37 1vk0 s ASN 133 CO 0.75 -0.13 -0.19 0.00 -3.04 0.00 0.00 177.10 174.48 1vk0 s ALA 134 N -0.92 2.12 -0.02 1.71 0.00 -1.26 -0.54 121.76 122.84 1vk0 s ALA 134 Ca 0.24 -1.54 -0.01 0.00 0.00 0.00 0.00 51.96 50.65 1vk0 s ALA 134 Cb -0.09 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.86 1vk0 s ALA 134 CO -0.13 0.25 0.04 -1.50 0.00 0.00 0.00 175.76 174.43 1vk0 s ILE 135 N -2.08 -0.05 -0.77 0.00 1.10 0.18 -4.89 121.20 114.68 1vk0 s ILE 135 Ca 0.18 0.17 -0.24 0.00 -0.51 0.00 0.00 60.65 60.24 1vk0 s ILE 135 Cb -0.06 -0.09 0.05 0.00 0.15 0.00 0.00 42.46 42.51 1vk0 s ILE 135 CO 0.07 0.07 1.20 0.21 -2.11 0.00 0.00 174.94 174.39 1vk0 s ASN 136 N 0.89 6.25 0.48 4.50 2.47 -1.26 -1.34 114.94 126.93 1vk0 s ASN 136 Ca -0.07 -0.89 0.26 0.00 0.42 0.00 0.00 52.86 52.58 1vk0 s ASN 136 Cb -0.10 -2.51 1.17 0.00 -1.45 0.00 0.00 41.25 38.36 1vk0 s ASN 136 CO -0.03 -1.61 1.94 1.62 -3.72 0.00 0.00 177.10 175.29 1vk0 h VAL 137 N 6.12 0.51 -0.58 -5.21 3.04 -1.58 -2.82 116.25 115.74 1vk0 h VAL 137 Ca -0.17 -0.85 -0.02 0.00 -1.01 0.00 0.00 66.70 64.65 1vk0 h VAL 137 Cb 1.05 1.58 -0.03 0.00 -2.01 0.00 0.00 31.29 31.88 1vk0 h VAL 137 CO 1.26 0.17 0.29 1.23 -1.01 0.00 0.00 177.57 179.51 1vk0 h GLY 138 N 1.58 0.86 0.88 3.17 0.00 -1.82 -0.20 103.07 107.54 1vk0 h GLY 138 Ca -0.00 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 46.89 1vk0 h GLY 138 CO 0.02 0.37 -0.00 1.70 0.00 0.00 0.00 176.54 178.63 1vk0 h LYS 139 N 0.81 0.52 -0.38 4.80 3.64 -1.76 -0.20 116.57 124.00 1vk0 h LYS 139 Ca 0.20 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.41 1vk0 h LYS 139 Cb 0.06 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1vk0 h LYS 139 CO -0.03 0.67 0.19 1.25 -2.27 0.00 0.00 179.45 179.25 1vk0 h LEU 140 N 0.31 0.49 -0.79 5.20 5.85 -1.55 -1.60 115.31 123.22 1vk0 h LEU 140 Ca 0.08 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.70 1vk0 h LEU 140 Cb 0.44 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 1vk0 h LEU 140 CO 0.02 0.47 0.52 0.00 -0.34 0.00 0.00 178.44 179.10 1vk0 h ALA 141 N 1.04 1.02 -0.21 1.25 0.00 -0.88 0.42 119.26 121.90 1vk0 h ALA 141 Ca 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1vk0 h ALA 141 Cb 0.10 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1vk0 h ALA 141 CO -0.02 0.38 0.12 0.00 0.00 0.00 0.00 179.25 179.73 1vk0 h ALA 142 N 1.31 0.26 -0.17 0.00 0.00 -0.84 -0.23 119.26 119.58 1vk0 h ALA 142 Ca 0.30 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 1vk0 h ALA 142 Cb -0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1vk0 h ALA 142 CO -0.08 -0.22 -0.23 0.93 0.00 0.00 0.00 179.25 179.65 1vk0 h GLU 143 N 0.24 0.46 -0.18 0.00 5.08 -0.72 0.13 114.58 119.58 1vk0 h GLU 143 Ca 0.07 -0.27 0.04 0.00 -1.00 0.00 0.00 59.36 58.21 1vk0 h GLU 143 Cb 0.04 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 1vk0 h GLU 143 CO -0.01 0.85 -0.11 0.00 -1.00 0.00 0.00 179.01 178.74 1vk0 h ALA 144 N 0.60 0.04 0.00 3.43 0.00 -0.15 -3.08 119.26 120.10 1vk0 h ALA 144 Ca 0.02 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1vk0 h ALA 144 Cb 0.80 0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1vk0 h ALA 144 CO 0.05 -0.54 -0.57 0.54 0.00 0.00 0.00 179.25 178.73 1vk0 n ARG 145 N -5.26 0.29 -2.49 0.00 5.12 -0.10 -4.95 116.66 109.26 1vk0 n ARG 145 Ca -0.02 0.10 -0.13 0.00 -1.93 0.00 0.00 57.85 55.87 1vk0 n ARG 145 Cb 0.18 -1.69 0.01 0.00 -1.16 0.00 0.00 32.46 29.80 1vk0 n ARG 145 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1vk0 n GLY 146 N 1.34 -0.08 2.96 -0.13 0.00 0.39 -5.00 105.19 104.67 1vk0 n GLY 146 Ca 0.03 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.45 1vk0 n GLY 146 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1vk0 s THR 147 N -2.78 1.85 0.23 2.61 2.01 -0.89 -5.01 115.64 113.67 1vk0 s THR 147 Ca 0.10 -1.80 -0.07 0.00 0.31 0.00 0.00 61.69 60.23 1vk0 s THR 147 Cb -0.04 -2.24 0.21 0.00 0.01 0.00 0.00 72.50 70.44 1vk0 s THR 147 CO 0.12 -0.39 1.86 -0.07 -0.69 0.00 0.00 174.62 175.45 1vk0 h LEU 148 N 7.80 1.12 -2.24 4.42 3.38 -1.95 -2.95 115.31 124.90 1vk0 h LEU 148 Ca -0.11 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.75 1vk0 h LEU 148 Cb 1.03 -0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 1vk0 h LEU 148 CO 0.48 0.89 -0.05 1.62 0.09 0.00 0.00 178.44 181.47 1vk0 h VAL 149 N 1.27 0.58 -0.42 1.22 3.04 -1.95 -2.76 116.25 117.22 1vk0 h VAL 149 Ca 0.32 -0.21 0.12 0.00 -1.01 0.00 0.00 66.70 65.92 1vk0 h VAL 149 Cb 0.00 1.13 -0.02 0.00 -2.01 0.00 0.00 31.29 30.40 1vk0 h VAL 149 CO -0.05 0.05 0.31 -0.07 -1.01 0.00 0.00 177.57 176.79 1vk0 h LEU 150 N 0.00 0.00 -2.26 3.16 3.38 -1.82 0.18 115.31 117.95 1vk0 h LEU 150 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1vk0 h LEU 150 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1vk0 h LEU 150 CO 0.01 0.00 -0.03 -0.08 0.09 0.00 0.00 178.44 178.42 1vk0 h GLU 151 N 0.00 0.00 -0.23 1.13 4.81 -1.45 -3.25 114.58 115.59 1vk0 h GLU 151 Ca 0.20 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.35 1vk0 h GLU 151 Cb 0.81 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.14 1vk0 h GLU 151 CO -0.00 0.03 -0.10 1.19 -0.73 0.00 0.00 179.01 179.40 1vk0 n PHE 152 N -3.29 0.74 -4.26 0.92 3.72 0.63 -4.65 117.46 111.26 1vk0 n PHE 152 Ca -0.02 -1.31 -0.32 0.00 -0.05 0.00 0.00 57.45 55.75 1vk0 n PHE 152 Cb 0.18 -0.36 -0.09 0.00 -0.94 0.00 0.00 39.48 38.27 1vk0 n PHE 152 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 1vk0 s LEU 153 N -3.08 3.51 1.08 4.37 1.43 -1.23 -5.11 118.68 119.64 1vk0 s LEU 153 Ca 0.41 -0.03 -0.18 0.00 -1.03 0.00 0.00 54.13 53.31 1vk0 s LEU 153 Cb 0.37 -2.05 0.24 0.00 0.03 0.00 0.00 46.19 44.78 1vk0 s LEU 153 CO 0.02 0.27 1.22 -0.83 0.23 0.00 0.00 176.35 177.26 1vk0 s GLY 154 N -1.66 1.69 0.13 -3.19 0.00 -1.26 -4.71 107.32 98.32 1vk0 s GLY 154 Ca 0.20 -1.09 -0.26 0.00 0.00 0.00 0.00 44.72 43.58 1vk0 s GLY 154 CO 0.11 -0.26 1.63 -0.84 0.00 0.00 0.00 173.10 173.74 1vk0 h THR 155 N -2.09 0.37 -0.06 0.90 2.02 -2.00 -0.30 112.91 111.75 1vk0 h THR 155 Ca -0.45 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 66.73 1vk0 h THR 155 Cb 1.26 0.37 -0.00 0.00 -1.74 0.00 0.00 68.15 68.04 1vk0 h THR 155 CO 0.36 0.00 0.03 -0.09 0.37 0.00 0.00 175.52 176.19 1vk0 h ARG 156 N -0.40 0.09 -0.59 6.66 1.12 -1.96 -2.30 114.38 117.01 1vk0 h ARG 156 Ca 0.08 -0.01 -0.07 0.00 -1.11 0.00 0.00 59.98 58.87 1vk0 h ARG 156 Cb 0.51 -0.02 -0.03 0.00 -0.01 0.00 0.00 29.97 30.42 1vk0 h ARG 156 CO -0.27 0.19 0.10 1.49 -3.11 0.00 0.00 179.97 178.36 1vk0 h GLU 157 N -0.03 0.95 -0.36 0.20 4.57 -1.88 0.15 114.58 118.17 1vk0 h GLU 157 Ca 0.02 -0.23 -0.00 0.00 -1.18 0.00 0.00 59.36 57.97 1vk0 h GLU 157 Cb 0.13 -0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.57 1vk0 h GLU 157 CO -0.00 0.87 0.22 1.25 -1.18 0.00 0.00 179.01 180.17 1vk0 h LEU 158 N 0.90 0.43 -0.56 1.64 5.85 -1.01 -0.84 115.31 121.71 1vk0 h LEU 158 Ca 0.18 -0.05 0.09 0.00 0.84 0.00 0.00 57.88 58.95 1vk0 h LEU 158 Cb 0.39 -0.11 -0.07 0.00 0.37 0.00 0.00 40.66 41.24 1vk0 h LEU 158 CO 0.01 0.35 0.17 0.00 -0.34 0.00 0.00 178.44 178.63 1vk0 h ALA 159 N 1.10 0.69 0.14 1.25 0.00 -0.85 -1.13 119.26 120.46 1vk0 h ALA 159 Ca 0.13 0.10 0.02 0.00 0.00 0.00 0.00 54.91 55.15 1vk0 h ALA 159 Cb -0.01 0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1vk0 h ALA 159 CO -0.03 -0.25 -0.27 1.25 0.00 0.00 0.00 179.25 179.96 1vk0 h HIS 160 N 0.33 -0.72 0.00 0.00 -0.00 -0.39 0.19 115.15 114.55 1vk0 h HIS 160 Ca 0.29 0.01 0.00 0.00 -0.00 0.00 0.00 60.37 60.67 1vk0 h HIS 160 Cb 0.37 0.30 0.00 0.00 -0.00 0.00 0.00 27.41 28.08 1vk0 h HIS 160 CO -0.20 -0.38 0.00 0.00 -0.00 0.00 0.00 177.93 177.36 1vk0 h ARG 161 N -0.49 0.00 0.04 5.26 2.47 -0.83 -0.12 114.38 120.71 1vk0 h ARG 161 Ca 0.03 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.37 1vk0 h ARG 161 Cb 0.51 0.00 -0.05 0.00 -1.65 0.00 0.00 29.97 28.78 1vk0 h ARG 161 CO -0.14 0.00 -2.14 0.28 0.56 0.00 0.00 179.97 178.53 1vk0 n VAL 162 N -2.91 1.59 -0.05 2.04 0.31 -0.46 -4.80 118.33 114.05 1vk0 n VAL 162 Ca 0.02 -0.46 -0.01 0.00 -0.01 0.00 0.00 64.34 63.87 1vk0 n VAL 162 Cb 0.36 -1.72 -0.13 0.00 -0.91 0.00 0.00 33.84 31.44 1vk0 n VAL 162 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1vk0 n LEU 163 N -3.74 0.00 -3.83 7.52 4.77 0.65 -5.02 117.00 117.35 1vk0 n LEU 163 Ca -0.41 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.30 1vk0 n LEU 163 Cb 0.93 0.23 0.03 0.00 -2.33 0.00 0.00 43.42 42.28 1vk0 n LEU 163 CO 0.25 0.23 0.05 0.79 -1.33 0.00 0.00 177.39 177.38 1vk0 n TRP 164 N -2.38 -2.18 -3.14 -1.77 7.02 -0.06 -5.00 117.44 109.94 1vk0 n TRP 164 Ca -0.16 0.88 -0.20 0.00 -1.02 0.00 0.00 57.50 57.00 1vk0 n TRP 164 Cb 0.78 -4.16 0.05 0.00 -2.42 0.00 0.00 31.31 25.56 1vk0 n TRP 164 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1vk0 s SER 165 N -3.70 5.09 -0.06 -0.99 1.04 -1.26 -5.06 113.70 108.75 1vk0 s SER 165 Ca 0.42 -0.86 -0.26 0.00 0.48 0.00 0.00 55.95 55.72 1vk0 s SER 165 Cb -0.21 0.24 -0.03 0.00 0.10 0.00 0.00 66.02 66.12 1vk0 s SER 165 CO 0.82 -1.27 0.84 -0.62 0.98 0.00 0.00 173.24 174.00 1vk0 s ASP 166 N -4.60 7.14 -0.10 7.02 3.68 -1.26 -4.92 116.67 123.63 1vk0 s ASP 166 Ca 0.58 1.38 0.14 0.00 2.13 0.00 0.00 52.55 56.78 1vk0 s ASP 166 Cb -0.06 -2.49 0.22 0.00 -1.45 0.00 0.00 42.92 39.15 1vk0 s ASP 166 CO 0.36 -0.24 1.10 0.18 0.13 0.00 0.00 175.17 176.71 1vk0 n LEU 167 N 4.15 1.95 -0.26 -1.34 4.77 -1.26 -4.78 117.00 120.23 1vk0 n LEU 167 Ca 0.03 -2.65 -0.04 0.00 -0.03 0.00 0.00 56.01 53.32 1vk0 n LEU 167 Cb 0.51 -0.32 0.12 0.00 -2.33 0.00 0.00 43.42 41.39 1vk0 n LEU 167 CO 0.49 0.61 1.08 1.23 -1.33 0.00 0.00 177.39 179.48 1vk0 h GLY 168 N 0.00 1.19 0.74 -0.72 0.00 -1.99 -0.37 103.07 101.92 1vk0 h GLY 168 Ca 0.00 -0.61 -0.07 0.00 0.00 0.00 0.00 47.33 46.66 1vk0 h GLY 168 CO 0.00 0.58 -0.18 -1.61 0.00 0.00 0.00 176.54 175.33 1vk0 h GLN 169 N 1.09 0.37 0.06 4.80 5.75 -2.00 -1.94 115.11 123.24 1vk0 h GLN 169 Ca 0.26 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 1vk0 h GLN 169 Cb 0.16 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.71 1vk0 h GLN 169 CO -0.03 0.78 -0.06 1.25 -2.65 0.00 0.00 178.83 178.12 1vk0 h LEU 170 N -0.02 -0.14 -1.05 -2.39 5.85 -1.87 -2.71 115.31 112.98 1vk0 h LEU 170 Ca 0.02 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.85 1vk0 h LEU 170 Cb 0.73 0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.73 1vk0 h LEU 170 CO 0.04 -0.09 0.63 0.44 -0.34 0.00 0.00 178.44 179.12 1vk0 h ASP 171 N -0.13 0.94 -0.48 1.25 3.32 -1.04 0.25 116.42 120.53 1vk0 h ASP 171 Ca 0.00 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1vk0 h ASP 171 Cb 0.12 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1vk0 h ASP 171 CO -0.01 0.54 0.04 -1.28 -1.72 0.00 0.00 179.24 176.81 1vk0 h SER 172 N 1.03 0.85 -0.02 6.45 0.87 -1.05 0.22 113.55 121.89 1vk0 h SER 172 Ca 0.46 -0.20 -0.03 0.00 -1.23 0.00 0.00 61.79 60.79 1vk0 h SER 172 Cb 0.38 -0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.12 1vk0 h SER 172 CO -0.22 0.88 -0.12 0.40 -0.53 0.00 0.00 176.83 177.25 1vk0 h ILE 173 N 0.83 1.50 -0.17 2.23 2.04 -1.09 -3.31 117.51 119.54 1vk0 h ILE 173 Ca 0.16 -1.65 -0.07 0.00 1.00 0.00 0.00 64.86 64.30 1vk0 h ILE 173 Cb 0.43 2.54 -0.01 0.00 -0.74 0.00 0.00 36.82 39.04 1vk0 h ILE 173 CO 0.02 0.45 -0.22 -0.33 0.00 0.00 0.00 178.15 178.07 1vk0 h GLU 174 N -0.50 0.30 0.00 2.37 5.08 -0.72 -2.31 114.58 118.80 1vk0 h GLU 174 Ca -0.01 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1vk0 h GLU 174 Cb 0.79 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.01 1vk0 h GLU 174 CO 0.02 0.51 -0.01 0.00 -1.00 0.00 0.00 179.01 178.54 1vk0 h ALA 175 N 1.50 1.88 -0.61 3.43 0.00 -0.67 -2.65 119.26 122.14 1vk0 h ALA 175 Ca 0.05 -0.01 -0.44 0.00 0.00 0.00 0.00 54.91 54.51 1vk0 h ALA 175 Cb 0.54 -0.00 -0.33 0.00 0.00 0.00 0.00 17.79 18.00 1vk0 h ALA 175 CO 0.04 0.01 -0.61 0.36 0.00 0.00 0.00 179.25 179.05 1vk0 n LYS 176 N -4.38 3.09 -0.19 0.00 2.85 -0.89 -4.91 118.16 113.73 1vk0 n LYS 176 Ca -0.03 -3.90 0.00 0.00 -1.05 0.00 0.00 58.31 53.33 1vk0 n LYS 176 Cb 0.09 -2.14 0.10 0.00 -0.65 0.00 0.00 35.03 32.44 1vk0 n LYS 176 CO 0.00 0.00 0.00 2.35 -0.05 0.00 0.00 177.40 179.70 1vk0 h TRP 177 N 1.89 0.14 0.00 5.58 2.91 -1.27 -0.19 115.95 125.02 1vk0 h TRP 177 Ca 0.31 0.04 -0.03 0.00 1.13 0.00 0.00 58.89 60.34 1vk0 h TRP 177 Cb 1.40 0.03 -0.00 0.00 -0.51 0.00 0.00 29.16 30.07 1vk0 h TRP 177 CO 0.88 -0.06 -0.13 1.05 -1.03 0.00 0.00 178.44 179.15 1vk0 h GLU 178 N 0.22 0.00 -0.00 2.65 9.09 -1.89 -2.41 114.58 122.24 1vk0 h GLU 178 Ca 0.31 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.72 1vk0 h GLU 178 Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.57 1vk0 h GLU 178 CO -0.42 0.13 -0.74 1.63 0.05 0.00 0.00 179.01 179.66 1vk0 n LYS 179 N -4.00 0.18 -2.27 1.06 5.02 -0.22 -4.91 118.16 113.01 1vk0 n LYS 179 Ca -0.02 -0.13 -0.41 0.00 -2.02 0.00 0.00 58.31 55.72 1vk0 n LYS 179 Cb 0.22 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.70 1vk0 n LYS 179 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1vk0 s ALA 180 N -2.91 3.49 1.00 7.82 0.00 -0.37 -5.02 121.76 125.76 1vk0 s ALA 180 Ca 0.11 1.06 -0.17 0.00 0.00 0.00 0.00 51.96 52.97 1vk0 s ALA 180 Cb 0.17 -3.45 0.21 0.00 0.00 0.00 0.00 23.12 20.05 1vk0 s ALA 180 CO 0.76 -0.48 1.31 0.20 0.00 0.00 0.00 175.76 177.55 1vk0 s GLY 181 N 0.13 1.77 0.39 0.00 0.00 -1.26 -4.77 107.32 103.57 1vk0 s GLY 181 Ca 0.54 -1.20 0.08 0.00 0.00 0.00 0.00 44.72 44.15 1vk0 s GLY 181 CO 0.39 -0.40 1.96 -0.56 0.00 0.00 0.00 173.10 174.49 1vk0 h PRO 182 N -1.77 0.34 -0.22 2.90 0.13 -1.98 -2.18 132.00 129.22 1vk0 h PRO 182 Ca -0.44 -0.06 -0.16 0.00 -0.87 0.00 0.00 66.00 64.47 1vk0 h PRO 182 Cb 1.24 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 1vk0 h PRO 182 CO 0.36 0.37 -0.51 1.49 -0.23 0.00 0.00 178.00 179.49 1vk0 h GLU 183 N 0.34 0.60 -0.09 0.86 4.81 -1.99 -0.76 114.58 118.35 1vk0 h GLU 183 Ca 0.08 -0.36 -0.13 0.00 -0.13 0.00 0.00 59.36 58.82 1vk0 h GLU 183 Cb 0.23 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 1vk0 h GLU 183 CO 0.01 0.97 -0.51 0.93 -0.73 0.00 0.00 179.01 179.68 1vk0 h GLU 184 N 0.47 0.25 -0.35 1.92 5.08 -1.80 -0.33 114.58 119.83 1vk0 h GLU 184 Ca 0.02 -0.15 -0.14 0.00 -1.00 0.00 0.00 59.36 58.09 1vk0 h GLU 184 Cb 1.06 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 1vk0 h GLU 184 CO 0.10 0.71 -0.33 1.96 -1.00 0.00 0.00 179.01 180.44 1vk0 h GLN 185 N 0.20 0.79 -0.41 2.33 4.20 -1.23 0.21 115.11 121.20 1vk0 h GLN 185 Ca 0.01 -0.38 -0.02 0.00 0.06 0.00 0.00 58.65 58.32 1vk0 h GLN 185 Cb 0.97 -0.01 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 1vk0 h GLN 185 CO 0.08 1.01 0.19 1.25 -0.67 0.00 0.00 178.83 180.68 1vk0 h LEU 186 N 0.66 0.54 -0.29 1.46 6.46 -0.93 -1.98 115.31 121.23 1vk0 h LEU 186 Ca 0.07 -0.14 0.04 0.00 -0.12 0.00 0.00 57.88 57.73 1vk0 h LEU 186 Cb 0.88 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.63 1vk0 h LEU 186 CO 0.08 0.53 0.06 -0.08 -0.62 0.00 0.00 178.44 178.41 1vk0 h GLU 187 N 0.52 0.17 -0.59 1.25 4.81 -0.50 0.11 114.58 120.34 1vk0 h GLU 187 Ca 0.14 -0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.42 1vk0 h GLU 187 Cb 0.14 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.42 1vk0 h GLU 187 CO -0.02 0.11 0.29 0.00 -0.73 0.00 0.00 179.01 178.67 1vk0 h ALA 188 N 1.21 0.77 -0.71 2.92 0.00 -0.85 0.60 119.26 123.20 1vk0 h ALA 188 Ca 0.13 0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.09 1vk0 h ALA 188 Cb 0.13 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 1vk0 h ALA 188 CO -0.17 -0.07 0.47 0.00 0.00 0.00 0.00 179.25 179.48 1vk0 h ALA 189 N 1.33 0.91 -0.35 0.00 0.00 -0.85 -0.11 119.26 120.20 1vk0 h ALA 189 Ca 0.27 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.08 1vk0 h ALA 189 Cb 0.21 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 1vk0 h ALA 189 CO -0.20 0.30 0.01 0.00 0.00 0.00 0.00 179.25 179.36 1vk0 h ALA 190 N 1.27 0.47 -0.25 0.00 0.00 -0.34 0.10 119.26 120.50 1vk0 h ALA 190 Ca 0.27 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.96 1vk0 h ALA 190 Cb -0.08 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1vk0 h ALA 190 CO -0.07 0.23 0.09 0.82 0.00 0.00 0.00 179.25 180.32 1vk0 h ILE 191 N 0.42 0.95 -0.45 0.00 2.04 -0.76 -1.07 117.51 118.65 1vk0 h ILE 191 Ca 0.10 -0.07 -0.02 0.00 1.00 0.00 0.00 64.86 65.86 1vk0 h ILE 191 Cb 0.45 0.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.22 1vk0 h ILE 191 CO 0.02 0.04 0.19 -0.33 0.00 0.00 0.00 178.15 178.07 1vk0 h GLU 192 N 0.21 0.63 -0.39 2.37 5.08 -0.83 0.20 114.58 121.86 1vk0 h GLU 192 Ca 0.11 -0.08 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1vk0 h GLU 192 Cb 0.06 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1vk0 h GLU 192 CO -0.10 0.52 0.23 0.78 -1.00 0.00 0.00 179.01 179.44 1vk0 h GLY 193 N 0.77 0.57 0.96 -3.84 0.00 -0.03 -2.42 103.07 99.08 1vk0 h GLY 193 Ca 0.16 -0.24 -0.04 0.00 0.00 0.00 0.00 47.33 47.21 1vk0 h GLY 193 CO -0.02 0.23 0.14 -0.25 0.00 0.00 0.00 176.54 176.64 1vk0 h TRP 194 N 0.51 0.74 -0.61 5.60 7.01 -0.63 -0.18 115.95 128.39 1vk0 h TRP 194 Ca 0.14 -0.08 0.11 0.00 2.11 0.00 0.00 58.89 61.17 1vk0 h TRP 194 Cb 0.01 -0.21 -0.08 0.00 -2.10 0.00 0.00 29.16 26.78 1vk0 h TRP 194 CO -0.03 0.66 0.17 -0.07 -2.79 0.00 0.00 178.44 176.38 1vk0 h LEU 195 N 0.60 0.08 -0.16 0.65 3.38 -0.53 -1.09 115.31 118.24 1vk0 h LEU 195 Ca 0.15 0.10 -0.21 0.00 0.09 0.00 0.00 57.88 58.01 1vk0 h LEU 195 Cb 0.28 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1vk0 h LEU 195 CO -0.00 0.05 -0.96 0.40 0.09 0.00 0.00 178.44 178.02 1vk0 h ILE 196 N 0.31 1.56 -0.51 1.22 1.08 -1.12 0.13 117.51 120.17 1vk0 h ILE 196 Ca 0.32 -2.89 0.08 0.00 -0.39 0.00 0.00 64.86 61.98 1vk0 h ILE 196 Cb 0.46 2.64 -0.07 0.00 -3.07 0.00 0.00 36.82 36.78 1vk0 h ILE 196 CO -0.38 0.84 0.15 0.58 -0.69 0.00 0.00 178.15 178.65 1vk0 h VAL 197 N 0.06 0.77 -0.65 1.67 2.07 -0.66 0.39 116.25 119.90 1vk0 h VAL 197 Ca -0.05 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 1vk0 h VAL 197 Cb 1.63 0.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1vk0 h VAL 197 CO 0.14 0.05 0.30 0.78 0.02 0.00 0.00 177.57 178.87 1vk0 h ASN 198 N 0.30 0.86 -0.42 0.57 2.35 -0.74 -0.02 115.58 118.48 1vk0 h ASN 198 Ca 0.25 -0.14 0.05 0.00 -0.55 0.00 0.00 56.30 55.92 1vk0 h ASN 198 Cb 0.31 -0.22 -0.05 0.00 0.05 0.00 0.00 38.32 38.42 1vk0 h ASN 198 CO -0.29 0.76 0.15 0.58 -1.65 0.00 0.00 177.43 176.97 1vk0 h VAL 199 N 0.90 0.87 -0.62 2.81 2.07 -0.29 -1.99 116.25 120.00 1vk0 h VAL 199 Ca 0.22 -0.11 -0.06 0.00 0.82 0.00 0.00 66.70 67.57 1vk0 h VAL 199 Cb 0.13 0.53 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1vk0 h VAL 199 CO -0.03 0.06 0.14 -0.25 0.02 0.00 0.00 177.57 177.51 1vk0 h TRP 200 N 0.31 1.05 -0.65 1.57 2.91 -0.27 -2.02 115.95 118.85 1vk0 h TRP 200 Ca 0.19 -0.13 -0.03 0.00 1.13 0.00 0.00 58.89 60.05 1vk0 h TRP 200 Cb 0.18 -0.30 -0.03 0.00 -0.51 0.00 0.00 29.16 28.50 1vk0 h TRP 200 CO -0.15 0.89 0.27 -0.44 -1.03 0.00 0.00 178.44 177.98 1vk0 h ASP 201 N 0.92 0.87 0.65 2.65 3.32 -0.72 0.29 116.42 124.39 1vk0 h ASP 201 Ca 0.19 -0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.10 1vk0 h ASP 201 Cb 0.37 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.71 1vk0 h ASP 201 CO 0.00 0.77 -0.31 1.56 -1.72 0.00 0.00 179.24 179.55 1vk0 h GLN 202 N 0.94 -0.84 -0.70 3.56 4.20 -1.08 -3.31 115.11 117.88 1vk0 h GLN 202 Ca 0.22 0.06 0.13 0.00 0.06 0.00 0.00 58.65 59.12 1vk0 h GLN 202 Cb 0.17 0.19 -0.05 0.00 0.30 0.00 0.00 27.48 28.09 1vk0 h GLN 202 CO -0.02 -0.56 0.47 -0.07 -0.67 0.00 0.00 178.83 177.98 1vk0 h LEU 203 N -0.92 0.39 -0.87 1.46 3.38 -1.11 -1.90 115.31 115.74 1vk0 h LEU 203 Ca -0.09 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 1vk0 h LEU 203 Cb 0.67 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 1vk0 h LEU 203 CO 0.15 0.21 -0.51 -1.28 0.09 0.00 0.00 178.44 177.10 1vk0 h SER 204 N 0.42 0.15 0.00 -0.43 0.87 -0.51 -3.35 113.55 110.70 1vk0 h SER 204 Ca 0.34 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.82 1vk0 h SER 204 Cb 0.73 -0.04 0.00 0.00 -0.44 0.00 0.00 62.40 62.65 1vk0 h SER 204 CO -0.10 0.64 0.00 -0.90 -0.53 0.00 0.00 176.83 175.94 1vk0 n ASP 205 N -3.94 0.95 0.00 6.23 5.68 -1.20 -5.11 116.55 119.16 1vk0 n ASP 205 Ca -0.02 -1.36 0.07 0.00 -0.50 0.00 0.00 54.79 52.99 1vk0 n ASP 205 Cb 0.54 0.00 0.43 0.00 -1.14 0.00 0.00 41.12 40.95 1vk0 n ASP 205 CO 0.00 0.00 0.00 -1.84 -1.33 0.00 0.00 177.20 174.03