#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vk0 s ALA 2 N 0.00 3.17 0.22 7.33 0.00 -1.26 -5.04 121.76 126.17 1vk0 s ALA 2 Ca 0.00 0.89 -0.10 0.00 0.00 0.00 0.00 51.96 52.75 1vk0 s ALA 2 Cb 0.00 -3.35 -0.01 0.00 0.00 0.00 0.00 23.12 19.76 1vk0 s ALA 2 CO 0.00 -0.41 0.37 -1.54 0.00 0.00 0.00 175.76 174.18 1vk0 s SER 3 N -1.21 -0.03 -1.06 0.00 1.04 -1.26 -5.03 113.70 106.16 1vk0 s SER 3 Ca 0.56 -0.97 -0.18 0.00 0.48 0.00 0.00 55.95 55.84 1vk0 s SER 3 Cb -0.29 0.51 0.13 0.00 0.10 0.00 0.00 66.02 66.47 1vk0 s SER 3 CO 0.36 -1.02 1.33 -0.36 0.98 0.00 0.00 173.24 174.53 1vk0 s PHE 4 N -4.02 3.12 -0.40 5.02 0.40 -1.26 -4.84 117.98 115.99 1vk0 s PHE 4 Ca 0.23 -1.56 0.05 0.00 -0.60 0.00 0.00 56.93 55.05 1vk0 s PHE 4 Cb 0.02 -4.40 0.55 0.00 0.51 0.00 0.00 43.02 39.70 1vk0 s PHE 4 CO 0.07 -1.56 1.68 -0.40 0.70 0.00 0.00 175.22 175.71 1vk0 n ASP 5 N 6.79 3.87 -1.66 1.36 5.75 -1.23 -4.42 116.55 127.01 1vk0 n ASP 5 Ca 0.32 -3.73 0.00 0.00 -0.01 0.00 0.00 54.79 51.36 1vk0 n ASP 5 Cb 0.47 -0.73 0.00 0.00 -1.03 0.00 0.00 41.12 39.83 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 -1.07 1.94 3.51 6.12 0.00 -0.41 -5.03 105.19 110.25 1vk0 n GLY 6 Ca 0.48 -2.12 -0.35 0.00 0.00 0.00 0.00 46.02 44.03 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 -0.83 0.17 -5.17 1.61 -0.01 -1.26 -4.46 135.00 125.05 1vk0 n PRO 7 Ca 0.00 0.11 -0.32 0.00 -0.01 0.00 0.00 63.50 63.28 1vk0 n PRO 7 Cb 0.00 -1.99 -0.15 0.00 -0.01 0.00 0.00 33.50 31.35 1vk0 n PRO 7 CO 0.00 0.00 0.00 0.15 -0.01 0.00 0.00 175.50 175.64 1vk0 s LYS 8 N -3.27 2.27 0.06 -0.52 1.02 -1.26 -3.01 119.74 115.03 1vk0 s LYS 8 Ca 0.66 -0.85 0.08 0.00 0.02 0.00 0.00 55.97 55.88 1vk0 s LYS 8 Cb -0.31 -2.16 -0.03 0.00 -0.52 0.00 0.00 37.83 34.82 1vk0 s LYS 8 CO 0.58 0.57 -0.23 -0.06 -0.92 0.00 0.00 175.35 175.29 1vk0 s PHE 9 N -0.61 1.99 0.35 3.18 0.08 -0.27 -4.93 117.98 117.77 1vk0 s PHE 9 Ca 0.09 -0.39 -0.02 0.00 0.12 0.00 0.00 56.93 56.73 1vk0 s PHE 9 Cb -0.10 -1.17 0.07 0.00 -0.57 0.00 0.00 43.02 41.25 1vk0 s PHE 9 CO -0.00 0.13 0.48 0.36 -0.10 0.00 0.00 175.22 176.09 1vk0 n LYS 10 N 1.67 0.06 -0.03 0.44 0.00 -1.26 -0.95 118.16 118.09 1vk0 n LYS 10 Ca -0.17 -1.13 0.00 0.00 -0.00 0.00 0.00 58.31 57.02 1vk0 n LYS 10 Cb 0.53 -0.38 -0.14 0.00 -0.00 0.00 0.00 35.03 35.04 1vk0 n LYS 10 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1vk0 n THR 12 N -2.25 0.83 1.48 0.58 -2.24 -1.26 -4.97 114.28 106.45 1vk0 n THR 12 Ca 0.07 -0.68 0.15 0.00 -2.27 0.00 0.00 64.05 61.32 1vk0 n THR 12 Cb 0.26 -0.37 0.77 0.00 -2.10 0.00 0.00 70.33 68.89 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 -2.61 0.00 0.00 3.42 5.75 -1.26 -4.92 116.55 116.93 1vk0 n ASP 13 Ca -0.16 -0.28 0.00 0.00 -0.01 0.00 0.00 54.79 54.34 1vk0 n ASP 13 Cb 0.85 -0.24 0.00 0.00 -1.03 0.00 0.00 41.12 40.71 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 1.16 0.51 3.80 6.12 0.00 -1.26 -5.07 105.19 110.46 1vk0 n GLY 14 Ca 0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.64 3.50 0.21 1.61 1.04 -1.26 -5.07 113.70 111.09 1vk0 s SER 15 Ca 0.00 0.87 0.11 0.00 0.48 0.00 0.00 55.95 57.40 1vk0 s SER 15 Cb 0.00 -1.37 -0.04 0.00 0.10 0.00 0.00 66.02 64.70 1vk0 s SER 15 CO 0.00 -2.55 -0.21 -0.31 0.98 0.00 0.00 173.24 171.15 1vk0 s TYR 16 N -3.36 2.17 -0.09 5.02 1.51 -1.26 -4.45 117.35 116.89 1vk0 s TYR 16 Ca 0.65 -0.38 0.03 0.00 -1.01 0.00 0.00 57.07 56.35 1vk0 s TYR 16 Cb -0.13 -1.04 0.01 0.00 -0.11 0.00 0.00 41.96 40.69 1vk0 s TYR 16 CO 0.53 0.50 -0.17 0.08 -1.11 0.00 0.00 175.55 175.38 1vk0 s VAL 17 N -1.98 1.56 0.23 0.71 1.01 -0.12 -4.78 120.40 117.02 1vk0 s VAL 17 Ca 0.22 -0.72 -0.02 0.00 0.00 0.00 0.00 61.98 61.45 1vk0 s VAL 17 Cb -0.07 -1.39 -0.05 0.00 0.00 0.00 0.00 36.38 34.88 1vk0 s VAL 17 CO 0.10 0.45 0.45 -1.10 0.00 0.00 0.00 175.10 175.00 1vk0 s GLN 18 N 0.61 3.57 0.02 2.72 -0.21 -0.01 -1.11 119.66 125.24 1vk0 s GLN 18 Ca -0.15 -0.20 -0.00 0.00 0.02 0.00 0.00 55.36 55.03 1vk0 s GLN 18 Cb -0.16 -2.77 -0.02 0.00 1.00 0.00 0.00 33.01 31.06 1vk0 s GLN 18 CO 0.05 0.34 -0.03 0.99 -2.12 0.00 0.00 175.29 174.52 1vk0 s THR 19 N -1.93 0.10 -0.12 -0.19 2.01 -1.16 -0.49 115.64 113.86 1vk0 s THR 19 Ca 0.40 -0.80 -0.08 0.00 0.31 0.00 0.00 61.69 61.52 1vk0 s THR 19 Cb -0.11 -0.23 0.04 0.00 0.01 0.00 0.00 72.50 72.21 1vk0 s THR 19 CO 0.29 -0.44 0.29 -0.75 -0.69 0.00 0.00 174.62 173.32 1vk0 s LYS 20 N -1.29 0.30 -0.04 4.92 2.47 -0.47 -1.29 119.74 124.35 1vk0 s LYS 20 Ca -0.14 0.49 0.05 0.00 -1.56 0.00 0.00 55.97 54.81 1vk0 s LYS 20 Cb -0.09 0.05 -0.01 0.00 -1.46 0.00 0.00 37.83 36.33 1vk0 s LYS 20 CO -0.01 -0.09 -0.19 0.99 0.16 0.00 0.00 175.35 176.21 1vk0 s THR 21 N 0.66 1.57 -0.02 3.43 2.01 -1.26 -0.48 115.64 121.55 1vk0 s THR 21 Ca -0.04 -0.80 0.01 0.00 0.31 0.00 0.00 61.69 61.17 1vk0 s THR 21 Cb -0.05 -1.34 0.01 0.00 0.01 0.00 0.00 72.50 71.13 1vk0 s THR 21 CO -0.04 0.45 -0.02 -0.51 -0.69 0.00 0.00 174.62 173.81 1vk0 s ILE 22 N -0.06 0.24 -0.38 1.82 1.10 0.17 -4.97 121.20 119.11 1vk0 s ILE 22 Ca -0.02 -0.02 -0.20 0.00 -0.51 0.00 0.00 60.65 59.89 1vk0 s ILE 22 Cb -0.11 -0.27 0.01 0.00 0.15 0.00 0.00 42.46 42.23 1vk0 s ILE 22 CO 0.02 0.12 0.61 -1.81 -2.11 0.00 0.00 174.94 171.77 1vk0 s ASP 23 N 0.55 6.37 -0.08 4.50 1.01 -1.26 -0.10 116.67 127.65 1vk0 s ASP 23 Ca -0.06 -0.07 -0.26 0.00 0.71 0.00 0.00 52.55 52.88 1vk0 s ASP 23 Cb -0.09 -2.31 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 1vk0 s ASP 23 CO -0.01 -0.63 0.83 -0.69 0.21 0.00 0.00 175.17 174.88 1vk0 s VAL 24 N 2.67 4.93 0.39 -1.27 1.01 0.14 -4.95 120.40 123.32 1vk0 s VAL 24 Ca 0.22 1.70 0.00 0.00 0.00 0.00 0.00 61.98 63.91 1vk0 s VAL 24 Cb -0.15 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.07 1vk0 s VAL 24 CO 0.16 0.14 0.02 0.61 0.00 0.00 0.00 175.10 176.03 1vk0 n GLY 25 N 3.16 3.67 0.23 4.51 0.00 -1.26 -3.84 105.19 111.65 1vk0 n GLY 25 Ca 0.03 -2.30 0.16 0.00 0.00 0.00 0.00 46.02 43.90 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 1.00 0.00 -0.01 1.61 4.64 -1.96 -2.49 113.55 116.34 1vk0 h SER 26 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1vk0 h SER 26 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 1vk0 h SER 26 CO 0.53 0.00 -0.19 -0.24 -0.87 0.00 0.00 176.83 176.05 1vk0 n SER 27 N -2.60 1.45 -4.74 4.97 2.88 -1.26 -4.60 113.62 109.72 1vk0 n SER 27 Ca -0.01 -1.22 -0.42 0.00 -1.33 0.00 0.00 58.87 55.88 1vk0 n SER 27 Cb 0.09 0.38 -0.02 0.00 -0.75 0.00 0.00 64.21 63.92 1vk0 n SER 27 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1vk0 n THR 28 N -0.05 1.06 -3.60 2.46 -1.04 -0.94 -4.99 114.28 107.19 1vk0 n THR 28 Ca 0.05 -0.26 -0.40 0.00 -2.04 0.00 0.00 64.05 61.39 1vk0 n THR 28 Cb 0.25 -1.92 -0.10 0.00 -1.82 0.00 0.00 70.33 66.75 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 0.45 5.66 0.02 8.00 3.68 -1.26 -4.89 116.67 128.32 1vk0 s ASP 29 Ca 0.64 -1.45 0.24 0.00 2.13 0.00 0.00 52.55 54.11 1vk0 s ASP 29 Cb -0.51 -1.99 0.29 0.00 -1.45 0.00 0.00 42.92 39.26 1vk0 s ASP 29 CO 0.49 -0.53 1.25 2.30 0.13 0.00 0.00 175.17 178.82 1vk0 n ILE 30 N 4.93 0.06 -0.21 4.11 -5.35 -1.26 -4.45 119.36 117.19 1vk0 n ILE 30 Ca -0.10 -0.06 0.07 0.00 -0.27 0.00 0.00 62.75 62.39 1vk0 n ILE 30 Cb 0.43 0.34 0.35 0.00 -1.74 0.00 0.00 39.64 39.02 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 0.00 0.69 -0.40 7.28 4.64 -1.93 -1.42 113.55 122.41 1vk0 h SER 31 Ca 0.00 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1vk0 h SER 31 Cb 0.56 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.49 1vk0 h SER 31 CO 0.00 0.43 0.26 -0.65 -0.87 0.00 0.00 176.83 176.00 1vk0 h PRO 32 N 0.77 0.51 0.18 4.77 0.11 -2.00 -1.02 132.00 135.31 1vk0 h PRO 32 Ca 0.35 -0.03 -0.30 0.00 0.11 0.00 0.00 66.00 66.13 1vk0 h PRO 32 Cb 0.35 -0.11 0.03 0.00 0.11 0.00 0.00 31.00 31.38 1vk0 h PRO 32 CO -0.13 0.34 -1.26 1.88 -0.21 0.00 0.00 178.00 178.61 1vk0 h TYR 33 N 0.52 0.93 -0.84 0.65 0.05 -1.58 -2.50 116.97 114.21 1vk0 h TYR 33 Ca 0.15 -0.63 0.08 0.00 0.05 0.00 0.00 58.73 58.38 1vk0 h TYR 33 Cb -0.03 -0.06 -0.07 0.00 1.01 0.00 0.00 36.73 37.58 1vk0 h TYR 33 CO -0.00 1.48 0.49 -0.07 -1.05 0.00 0.00 178.16 179.01 1vk0 h LEU 34 N 0.12 0.73 -1.15 3.88 3.38 -1.33 -0.56 115.31 120.38 1vk0 h LEU 34 Ca -0.21 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 57.77 1vk0 h LEU 34 Cb 1.97 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.58 1vk0 h LEU 34 CO 0.24 0.43 0.26 0.28 0.09 0.00 0.00 178.44 179.74 1vk0 h SER 35 N 0.85 0.78 -0.36 -0.43 0.02 -1.14 0.27 113.55 113.53 1vk0 h SER 35 Ca 0.39 -0.09 -0.10 0.00 -0.84 0.00 0.00 61.79 61.16 1vk0 h SER 35 Cb 0.31 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.63 1vk0 h SER 35 CO -0.22 0.68 -0.12 -0.07 -1.14 0.00 0.00 176.83 175.97 1vk0 h LEU 36 N 0.85 0.80 -0.24 5.07 3.38 -0.84 0.17 115.31 124.49 1vk0 h LEU 36 Ca 0.21 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 1vk0 h LEU 36 Cb 0.13 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 1vk0 h LEU 36 CO -0.02 0.93 0.03 0.40 0.09 0.00 0.00 178.44 179.86 1vk0 h ILE 37 N 0.73 1.24 -0.30 1.22 1.08 -0.06 0.00 117.51 121.42 1vk0 h ILE 37 Ca 0.12 -0.82 0.02 0.00 -0.39 0.00 0.00 64.86 63.79 1vk0 h ILE 37 Cb 0.61 1.30 -0.02 0.00 -3.07 0.00 0.00 36.82 35.63 1vk0 h ILE 37 CO 0.04 0.26 0.16 -0.09 -0.69 0.00 0.00 178.15 177.82 1vk0 h ARG 38 N 0.21 0.31 -0.23 2.37 2.43 -0.28 0.28 114.38 119.47 1vk0 h ARG 38 Ca 0.07 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 1vk0 h ARG 38 Cb 0.36 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.83 1vk0 h ARG 38 CO 0.01 0.21 0.09 1.49 -1.51 0.00 0.00 179.97 180.25 1vk0 h GLU 39 N 0.32 0.35 -0.52 0.20 4.81 -0.48 -0.67 114.58 118.59 1vk0 h GLU 39 Ca 0.12 -0.06 -0.06 0.00 -0.13 0.00 0.00 59.36 59.23 1vk0 h GLU 39 Cb 0.03 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.34 1vk0 h GLU 39 CO -0.08 0.40 0.06 0.22 -0.73 0.00 0.00 179.01 178.88 1vk0 h ASP 40 N 0.22 0.79 -0.27 1.04 3.58 -0.63 -0.75 116.42 120.41 1vk0 h ASP 40 Ca 0.08 -0.17 -0.00 0.00 0.42 0.00 0.00 57.03 57.35 1vk0 h ASP 40 Cb 0.18 -0.21 -0.01 0.00 1.72 0.00 0.00 39.33 41.01 1vk0 h ASP 40 CO -0.01 0.82 0.17 -1.28 -2.88 0.00 0.00 179.24 176.06 1vk0 h SER 41 N 0.79 0.32 -0.22 2.28 0.87 -0.09 0.05 113.55 117.56 1vk0 h SER 41 Ca 0.16 -0.04 -0.04 0.00 -1.23 0.00 0.00 61.79 60.64 1vk0 h SER 41 Cb 0.39 -0.08 -0.01 0.00 -0.44 0.00 0.00 62.40 62.26 1vk0 h SER 41 CO 0.01 0.26 -0.03 0.40 -0.53 0.00 0.00 176.83 176.95 1vk0 h ILE 42 N 0.35 1.27 0.08 2.23 2.04 -0.66 -0.45 117.51 122.36 1vk0 h ILE 42 Ca 0.10 -0.97 -0.27 0.00 1.00 0.00 0.00 64.86 64.72 1vk0 h ILE 42 Cb -0.00 1.48 -0.01 0.00 -0.74 0.00 0.00 36.82 37.54 1vk0 h ILE 42 CO -0.02 0.30 -1.30 -0.07 0.00 0.00 0.00 178.15 177.06 1vk0 h LEU 43 N 0.15 0.27 0.00 1.44 3.38 -1.15 -3.41 115.31 115.99 1vk0 h LEU 43 Ca 0.06 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.69 1vk0 h LEU 43 Cb 0.46 -0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 1vk0 h LEU 43 CO 0.02 1.26 -1.11 0.59 0.09 0.00 0.00 178.44 179.29 1vk0 n ASN 44 N -3.42 4.49 -0.66 -0.43 3.02 -0.07 -4.83 115.26 113.36 1vk0 n ASN 44 Ca -0.09 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.52 1vk0 n ASN 44 Cb 1.01 0.93 0.16 0.00 -0.61 0.00 0.00 39.78 41.27 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 2.53 2.93 2.83 7.41 0.00 -0.28 -4.86 105.19 115.74 1vk0 n GLY 45 Ca -0.01 -0.45 -0.18 0.00 0.00 0.00 0.00 46.02 45.37 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 0.37 -4.46 -1.14 1.61 5.03 -0.98 -2.75 115.26 112.94 1vk0 n ASN 46 Ca 0.13 -0.09 -0.11 0.00 0.87 0.00 0.00 54.58 55.37 1vk0 n ASN 46 Cb 0.48 -3.70 -0.02 0.00 -1.02 0.00 0.00 39.78 35.52 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 -3.34 -0.85 -4.05 3.52 1.74 -0.58 -4.97 116.66 108.15 1vk0 n ARG 47 Ca -0.11 0.63 -0.36 0.00 -0.77 0.00 0.00 57.85 57.25 1vk0 n ARG 47 Cb 0.60 -4.70 -0.08 0.00 -1.02 0.00 0.00 32.46 27.26 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 -2.51 3.59 -0.16 7.54 0.00 -1.11 -0.71 121.76 128.41 1vk0 s ALA 48 Ca 0.00 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.25 1vk0 s ALA 48 Cb 0.00 -1.82 0.03 0.00 0.00 0.00 0.00 23.12 21.32 1vk0 s ALA 48 CO 0.00 0.49 -0.14 0.08 0.00 0.00 0.00 175.76 176.19 1vk0 s VAL 49 N -0.61 1.62 0.21 0.00 1.01 0.13 -4.78 120.40 117.98 1vk0 s VAL 49 Ca 0.12 -0.71 -0.26 0.00 0.00 0.00 0.00 61.98 61.12 1vk0 s VAL 49 Cb -0.12 -1.54 -0.09 0.00 0.00 0.00 0.00 36.38 34.64 1vk0 s VAL 49 CO 0.02 0.42 0.84 -0.63 0.00 0.00 0.00 175.10 175.75 1vk0 s ILE 50 N 1.46 4.28 0.16 2.22 1.09 0.98 -0.90 121.20 130.48 1vk0 s ILE 50 Ca 0.04 1.79 -0.02 0.00 -1.10 0.00 0.00 60.65 61.36 1vk0 s ILE 50 Cb -0.13 -4.15 -0.04 0.00 -1.06 0.00 0.00 42.46 37.08 1vk0 s ILE 50 CO -0.10 0.43 0.11 0.72 -0.10 0.00 0.00 174.94 176.00 1vk0 s PHE 51 N -1.26 0.87 0.13 3.97 -0.71 0.06 -0.00 117.98 121.04 1vk0 s PHE 51 Ca 0.40 -1.20 -0.14 0.00 -1.04 0.00 0.00 56.93 54.94 1vk0 s PHE 51 Cb -0.23 -0.43 0.02 0.00 -1.21 0.00 0.00 43.02 41.17 1vk0 s PHE 51 CO 0.27 -0.59 0.36 0.34 -1.34 0.00 0.00 175.22 174.27 1vk0 s ASP 52 N -3.07 -0.14 0.05 1.98 -1.08 -0.81 -4.45 116.67 109.16 1vk0 s ASP 52 Ca 0.27 -0.48 0.01 0.00 -0.52 0.00 0.00 52.55 51.83 1vk0 s ASP 52 Cb 0.07 0.46 -0.03 0.00 -1.46 0.00 0.00 42.92 41.96 1vk0 s ASP 52 CO 0.04 -0.86 -0.05 0.68 0.52 0.00 0.00 175.17 175.50 1vk0 s VAL 53 N -3.85 0.35 -0.01 1.11 -7.23 -1.26 -0.63 120.40 108.89 1vk0 s VAL 53 Ca 0.06 -1.34 0.00 0.00 -1.81 0.00 0.00 61.98 58.89 1vk0 s VAL 53 Cb 0.02 -0.88 0.01 0.00 0.56 0.00 0.00 36.38 36.09 1vk0 s VAL 53 CO -0.09 -0.65 0.01 -0.31 -0.31 0.00 0.00 175.10 173.75 1vk0 s TYR 54 N -2.37 0.03 -0.05 2.82 1.51 -0.34 -4.99 117.35 113.96 1vk0 s TYR 54 Ca -0.04 0.04 0.05 0.00 -1.01 0.00 0.00 57.07 56.11 1vk0 s TYR 54 Cb -0.03 -0.10 -0.02 0.00 -0.11 0.00 0.00 41.96 41.69 1vk0 s TYR 54 CO -0.03 -0.04 -0.19 -1.58 -1.11 0.00 0.00 175.55 172.60 1vk0 s TRP 55 N 0.41 2.58 -0.43 2.71 0.52 -1.26 0.20 118.94 123.66 1vk0 s TRP 55 Ca -0.03 -0.38 -0.25 0.00 0.02 0.00 0.00 56.10 55.45 1vk0 s TRP 55 Cb -0.05 -1.62 0.02 0.00 -1.15 0.00 0.00 33.47 30.68 1vk0 s TRP 55 CO -0.01 0.02 0.90 0.34 0.02 0.00 0.00 176.95 178.22 1vk0 s ASP 56 N -0.48 6.53 0.53 2.95 3.68 0.51 -4.86 116.67 125.53 1vk0 s ASP 56 Ca 0.06 0.21 -0.17 0.00 2.13 0.00 0.00 52.55 54.77 1vk0 s ASP 56 Cb -0.12 -2.44 -0.07 0.00 -1.45 0.00 0.00 42.92 38.84 1vk0 s ASP 56 CO 0.01 -0.98 1.02 0.68 0.13 0.00 0.00 175.17 176.03 1vk0 s VAL 57 N 3.62 4.12 -0.11 1.11 -7.23 -1.26 -1.14 120.40 119.51 1vk0 s VAL 57 Ca 0.36 1.10 -0.20 0.00 -1.81 0.00 0.00 61.98 61.43 1vk0 s VAL 57 Cb -0.11 -3.54 0.05 0.00 0.56 0.00 0.00 36.38 33.34 1vk0 s VAL 57 CO 0.24 -0.50 0.49 -0.83 -0.31 0.00 0.00 175.10 174.19 1vk0 s GLY 58 N -2.67 -0.36 -0.36 2.32 0.00 -1.22 -4.87 107.32 100.16 1vk0 s GLY 58 Ca 0.62 1.08 -0.14 0.00 0.00 0.00 0.00 44.72 46.28 1vk0 s GLY 58 CO 0.29 0.84 0.27 -1.36 0.00 0.00 0.00 173.10 173.14 1vk0 s PHE 59 N -0.55 3.23 0.00 1.90 2.99 -1.26 -4.23 117.98 120.06 1vk0 s PHE 59 Ca -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 56.93 56.55 1vk0 s PHE 59 Cb -0.03 -2.54 0.00 0.00 0.00 0.00 0.00 43.02 40.45 1vk0 s PHE 59 CO 0.04 -0.44 0.00 0.25 -0.00 0.00 0.00 175.22 175.07 1vk0 n THR 66 N 5.14 0.00 0.22 0.64 -2.24 -1.26 -4.27 114.28 112.51 1vk0 n THR 66 Ca -0.12 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 61.74 1vk0 n THR 66 Cb 0.49 0.00 0.53 0.00 -2.10 0.00 0.00 70.33 69.25 1vk0 n THR 66 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1vk0 h LYS 67 N 0.00 0.00 -0.01 -0.78 1.79 -2.05 -2.45 116.57 113.06 1vk0 h LYS 67 Ca 0.00 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 1vk0 h LYS 67 Cb 0.00 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.65 1vk0 h LYS 67 CO 0.00 0.24 -0.14 0.25 -1.08 0.00 0.00 179.45 178.71 1vk0 n THR 68 N -3.80 0.00 0.36 -0.16 -2.24 -1.26 -4.14 114.28 103.03 1vk0 n THR 68 Ca -0.02 -0.23 0.14 0.00 -2.27 0.00 0.00 64.05 61.68 1vk0 n THR 68 Cb 0.34 0.63 0.54 0.00 -2.10 0.00 0.00 70.33 69.74 1vk0 n THR 68 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1vk0 h SER 69 N 2.15 0.00 0.22 3.42 4.64 -1.77 -2.05 113.55 120.16 1vk0 h SER 69 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1vk0 h SER 69 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1vk0 h SER 69 CO 0.00 0.00 -0.05 0.61 -0.87 0.00 0.00 176.83 176.52 1vk0 n GLY 70 N 0.20 -0.84 3.76 -0.77 0.00 -1.26 -4.85 105.19 101.44 1vk0 n GLY 70 Ca 0.02 -0.27 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 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 3.37 -0.01 1.61 0.52 -0.77 -3.46 118.94 117.92 1vk0 s TRP 71 Ca 0.36 1.62 0.02 0.00 0.02 0.00 0.00 56.10 58.11 1vk0 s TRP 71 Cb 0.21 -3.37 0.00 0.00 -1.15 0.00 0.00 33.47 29.16 1vk0 s TRP 71 CO 0.42 -0.94 -0.05 0.45 0.02 0.00 0.00 176.95 176.85 1vk0 s SER 72 N -0.88 0.70 0.04 2.95 0.15 -0.29 -4.95 113.70 111.42 1vk0 s SER 72 Ca 0.48 -0.10 -0.30 0.00 0.70 0.00 0.00 55.95 56.72 1vk0 s SER 72 Cb -0.33 -0.15 -0.06 0.00 -1.71 0.00 0.00 66.02 63.77 1vk0 s SER 72 CO 0.42 0.04 1.40 -0.22 1.20 0.00 0.00 173.24 176.08 1vk0 s LEU 73 N 0.12 4.34 -0.01 3.45 2.96 -1.26 -0.36 118.68 127.92 1vk0 s LEU 73 Ca -0.01 2.18 0.01 0.00 -0.22 0.00 0.00 54.13 56.09 1vk0 s LEU 73 Cb -0.05 -3.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.06 1vk0 s LEU 73 CO -0.00 -0.70 0.01 -1.54 -1.32 0.00 0.00 176.35 172.80 1vk0 n SER 74 N 4.94 4.74 -3.76 3.68 3.41 0.13 -4.72 113.62 122.05 1vk0 n SER 74 Ca 0.13 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.64 1vk0 n SER 74 Cb 0.43 0.72 -0.06 0.00 -0.26 0.00 0.00 64.21 65.05 1vk0 n SER 74 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1vk0 s SER 75 N -2.75 -0.04 -0.02 4.04 0.01 -0.74 0.03 113.70 114.23 1vk0 s SER 75 Ca -0.00 -0.48 0.02 0.00 1.31 0.00 0.00 55.95 56.79 1vk0 s SER 75 Cb 0.00 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.63 1vk0 s SER 75 CO 0.04 -0.77 -0.07 -0.69 0.41 0.00 0.00 173.24 172.17 1vk0 s VAL 76 N -3.72 0.61 -0.07 3.43 1.01 -0.45 -1.20 120.40 120.00 1vk0 s VAL 76 Ca 0.03 -0.27 0.03 0.00 0.00 0.00 0.00 61.98 61.77 1vk0 s VAL 76 Cb 0.03 -0.55 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 1vk0 s VAL 76 CO -0.11 0.20 -0.13 -0.75 0.00 0.00 0.00 175.10 174.30 1vk0 s LYS 77 N 0.19 2.72 -0.17 2.72 2.20 0.20 -1.24 119.74 126.37 1vk0 s LYS 77 Ca -0.02 -0.68 0.00 0.00 -0.36 0.00 0.00 55.97 54.91 1vk0 s LYS 77 Cb -0.07 -2.45 0.03 0.00 -1.51 0.00 0.00 37.83 33.83 1vk0 s LYS 77 CO 0.00 0.53 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.89 1vk0 s LEU 78 N -0.49 1.89 0.05 5.43 1.43 -0.04 -1.93 118.68 125.01 1vk0 s LEU 78 Ca 0.07 -0.63 0.09 0.00 -1.03 0.00 0.00 54.13 52.63 1vk0 s LEU 78 Cb -0.12 -1.19 -0.03 0.00 0.03 0.00 0.00 46.19 44.88 1vk0 s LEU 78 CO 0.02 -0.09 -0.25 -0.44 0.23 0.00 0.00 176.35 175.82 1vk0 s SER 79 N 1.46 3.27 0.37 2.29 0.01 0.99 -1.01 113.70 121.08 1vk0 s SER 79 Ca 0.03 -0.57 0.03 0.00 1.31 0.00 0.00 55.95 56.74 1vk0 s SER 79 Cb -0.14 -0.34 -0.01 0.00 0.21 0.00 0.00 66.02 65.74 1vk0 s SER 79 CO -0.10 0.26 0.10 0.35 0.41 0.00 0.00 173.24 174.26 1vk0 n THR 80 N 1.73 0.00 -0.22 1.44 -2.24 -0.54 -0.01 114.28 114.42 1vk0 n THR 80 Ca -0.17 -2.06 0.03 0.00 -2.27 0.00 0.00 64.05 59.57 1vk0 n THR 80 Cb 0.52 0.66 0.07 0.00 -2.10 0.00 0.00 70.33 69.48 1vk0 n THR 80 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1vk0 n ARG 81 N -0.87 -0.08 -0.00 -0.78 3.00 -1.26 -3.09 116.66 113.59 1vk0 n ARG 81 Ca -0.08 0.95 0.00 0.00 -0.00 0.00 0.00 57.85 58.72 1vk0 n ARG 81 Cb 0.54 -1.42 -0.00 0.00 0.00 0.00 0.00 32.46 31.58 1vk0 n ARG 81 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.63 177.72 1vk0 n ASN 82 N -4.97 4.68 -4.37 6.15 3.02 -1.26 -4.90 115.26 113.61 1vk0 n ASN 82 Ca 0.09 -0.03 -0.20 0.00 -0.03 0.00 0.00 54.58 54.42 1vk0 n ASN 82 Cb 0.29 1.01 -0.10 0.00 -0.61 0.00 0.00 39.78 40.37 1vk0 n ASN 82 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1vk0 s LEU 83 N -2.97 2.56 -0.19 3.41 1.43 -1.18 -0.83 118.68 120.91 1vk0 s LEU 83 Ca -0.00 -1.03 -0.04 0.00 -1.03 0.00 0.00 54.13 52.02 1vk0 s LEU 83 Cb 0.00 -0.74 0.09 0.00 0.03 0.00 0.00 46.19 45.57 1vk0 s LEU 83 CO 0.01 -0.14 0.31 0.00 0.23 0.00 0.00 176.35 176.76 1vk0 s LEU 85 N 2.47 3.45 -0.23 0.00 2.96 -0.18 -1.37 118.68 125.78 1vk0 s LEU 85 Ca 0.05 -0.15 -0.01 0.00 -0.22 0.00 0.00 54.13 53.81 1vk0 s LEU 85 Cb -0.14 -1.90 0.03 0.00 0.50 0.00 0.00 46.19 44.68 1vk0 s LEU 85 CO -0.12 0.04 -0.10 0.12 -1.32 0.00 0.00 176.35 174.97 1vk0 s PHE 86 N 1.16 3.00 -0.21 5.38 2.19 0.37 -0.86 117.98 129.02 1vk0 s PHE 86 Ca 0.04 -1.61 -0.05 0.00 0.33 0.00 0.00 56.93 55.64 1vk0 s PHE 86 Cb -0.14 -2.01 -0.02 0.00 -1.31 0.00 0.00 43.02 39.54 1vk0 s PHE 86 CO 0.03 -0.75 -0.01 -0.51 1.83 0.00 0.00 175.22 175.80 1vk0 s LEU 87 N 1.30 3.13 -0.15 6.12 1.43 -0.37 -0.66 118.68 129.48 1vk0 s LEU 87 Ca 0.01 -0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 1vk0 s LEU 87 Cb -0.16 -1.80 -0.05 0.00 0.03 0.00 0.00 46.19 44.22 1vk0 s LEU 87 CO -0.07 0.03 0.28 -0.13 0.23 0.00 0.00 176.35 176.69 1vk0 s ARG 88 N 1.19 4.18 0.12 1.70 0.52 0.86 -1.35 118.95 126.18 1vk0 s ARG 88 Ca 0.03 0.08 0.05 0.00 -0.52 0.00 0.00 55.73 55.36 1vk0 s ARG 88 Cb -0.15 -3.40 -0.04 0.00 0.52 0.00 0.00 34.95 31.89 1vk0 s ARG 88 CO 0.01 0.30 0.07 -0.51 0.02 0.00 0.00 175.30 175.18 1vk0 s LEU 89 N 0.28 3.65 0.74 2.53 1.43 0.10 -0.69 118.68 126.72 1vk0 s LEU 89 Ca 0.16 -0.14 -0.08 0.00 -1.03 0.00 0.00 54.13 53.04 1vk0 s LEU 89 Cb -0.13 -2.32 0.08 0.00 0.03 0.00 0.00 46.19 43.85 1vk0 s LEU 89 CO 0.04 0.13 1.06 -2.16 0.23 0.00 0.00 176.35 175.65 1vk0 s PRO 90 N -2.67 2.02 -0.12 1.29 0.04 -1.25 -4.78 135.00 129.54 1vk0 s PRO 90 Ca 0.29 -0.26 -0.02 0.00 0.04 0.00 0.00 61.00 61.05 1vk0 s PRO 90 Cb -0.11 -2.12 0.04 0.00 0.04 0.00 0.00 34.50 32.35 1vk0 s PRO 90 CO 0.21 -1.39 0.02 0.21 0.04 0.00 0.00 177.00 176.09 1vk0 s LYS 91 N -5.34 0.59 0.85 4.56 2.20 -1.26 -3.95 119.74 117.39 1vk0 s LYS 91 Ca 0.62 -0.07 -0.13 0.00 -0.36 0.00 0.00 55.97 56.03 1vk0 s LYS 91 Cb -0.10 -1.38 0.11 0.00 -1.51 0.00 0.00 37.83 34.94 1vk0 s LYS 91 CO 0.46 -0.43 1.20 -1.25 -0.36 0.00 0.00 175.35 174.97 1vk0 s PRO 92 N 1.95 1.64 0.61 4.03 0.04 -1.26 -5.14 135.00 136.87 1vk0 s PRO 92 Ca 0.03 0.04 -0.17 0.00 0.04 0.00 0.00 61.00 60.94 1vk0 s PRO 92 Cb -0.14 -1.92 -0.03 0.00 0.04 0.00 0.00 34.50 32.45 1vk0 s PRO 92 CO -0.06 -1.80 1.12 -0.06 0.04 0.00 0.00 177.00 176.23 1vk0 s PHE 93 N -3.60 2.66 0.49 0.56 0.08 -1.25 -5.04 117.98 111.88 1vk0 s PHE 93 Ca 0.64 1.55 0.05 0.00 0.12 0.00 0.00 56.93 59.29 1vk0 s PHE 93 Cb -0.10 -3.21 -0.01 0.00 -0.57 0.00 0.00 43.02 39.13 1vk0 s PHE 93 CO 0.50 -1.62 0.21 -1.01 -0.10 0.00 0.00 175.22 173.20 1vk0 s HIS 94 N -2.12 2.02 0.56 0.36 3.76 -1.26 -5.03 115.29 113.58 1vk0 s HIS 94 Ca 0.69 -0.79 0.26 0.00 -0.15 0.00 0.00 55.06 55.07 1vk0 s HIS 94 Cb -0.22 -1.84 1.48 0.00 1.11 0.00 0.00 32.58 33.12 1vk0 s HIS 94 CO 0.35 -0.05 2.03 -0.44 -0.85 0.00 0.00 174.74 175.78 1vk0 h ASP 95 N 1.15 0.00 0.41 1.40 3.45 -1.98 0.13 116.42 120.98 1vk0 h ASP 95 Ca -0.41 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.05 1vk0 h ASP 95 Cb 1.29 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.06 1vk0 h ASP 95 CO 0.67 0.00 0.00 -0.55 -1.57 0.00 0.00 179.24 177.79 1vk0 h ASN 96 N 0.00 0.00 1.12 6.45 -0.00 -1.90 -1.96 115.58 119.29 1vk0 h ASN 96 Ca 0.17 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.47 1vk0 h ASN 96 Cb 0.80 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.12 1vk0 h ASN 96 CO -0.00 0.00 0.00 0.18 -0.00 0.00 0.00 177.43 177.61 1vk0 n LEU 97 N -2.47 0.22 -0.33 6.14 4.77 0.46 -3.60 117.00 122.19 1vk0 n LEU 97 Ca -0.00 0.52 0.30 0.00 -0.03 0.00 0.00 56.01 56.80 1vk0 n LEU 97 Cb 0.15 -0.45 0.56 0.00 -2.33 0.00 0.00 43.42 41.34 1vk0 n LEU 97 CO 0.17 -0.05 1.08 0.11 -1.33 0.00 0.00 177.39 177.37 1vk0 h LYS 98 N 0.00 0.10 0.00 3.23 6.56 -1.54 0.65 116.57 125.58 1vk0 h LYS 98 Ca 0.00 -0.01 -0.03 0.00 -1.06 0.00 0.00 60.65 59.55 1vk0 h LYS 98 Cb 0.56 -0.02 -0.00 0.00 -0.57 0.00 0.00 32.23 32.19 1vk0 h LYS 98 CO 0.00 0.06 -0.16 -0.44 -2.06 0.00 0.00 179.45 176.85 1vk0 h ASP 99 N 0.10 0.00 -0.22 0.86 3.32 -1.80 -1.20 116.42 117.49 1vk0 h ASP 99 Ca 0.82 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 57.74 1vk0 h ASP 99 Cb 2.10 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.64 1vk0 h ASP 99 CO -0.71 0.16 -0.34 0.25 -1.72 0.00 0.00 179.24 176.88 1vk0 h LEU 100 N 0.00 0.68 -0.48 1.55 5.85 0.06 -1.65 115.31 121.33 1vk0 h LEU 100 Ca -0.00 -0.52 0.07 0.00 0.84 0.00 0.00 57.88 58.26 1vk0 h LEU 100 Cb 0.29 -0.20 -0.06 0.00 0.37 0.00 0.00 40.66 41.07 1vk0 h LEU 100 CO 0.02 1.07 0.16 1.88 -0.34 0.00 0.00 178.44 181.24 1vk0 h TYR 101 N 0.31 0.29 -0.58 1.25 -1.99 -1.13 -0.64 116.97 114.48 1vk0 h TYR 101 Ca 0.02 0.02 -0.09 0.00 2.00 0.00 0.00 58.73 60.68 1vk0 h TYR 101 Cb 0.93 -0.06 -0.02 0.00 2.00 0.00 0.00 36.73 39.58 1vk0 h TYR 101 CO 0.08 0.09 -0.00 0.00 -0.00 0.00 0.00 178.16 178.33 1vk0 h ARG 102 N 0.33 1.02 -0.37 4.88 3.08 -1.23 -2.06 114.38 120.05 1vk0 h ARG 102 Ca 0.23 -0.33 -0.03 0.00 0.07 0.00 0.00 59.98 59.93 1vk0 h ARG 102 Cb 0.24 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1vk0 h ARG 102 CO -0.24 1.01 0.12 0.35 -1.07 0.00 0.00 179.97 180.14 1vk0 h PHE 103 N 0.91 0.59 0.00 3.04 3.57 -0.93 -2.39 116.94 121.73 1vk0 h PHE 103 Ca 0.16 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.61 1vk0 h PHE 103 Cb 0.55 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1vk0 h PHE 103 CO 0.04 0.56 0.00 0.74 -2.23 0.00 0.00 178.31 177.42 1vk0 h PHE 104 N 0.45 0.00 -0.01 0.41 0.05 -0.88 -2.22 116.94 114.74 1vk0 h PHE 104 Ca 0.12 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.91 1vk0 h PHE 104 Cb 0.24 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.19 1vk0 h PHE 104 CO 0.01 0.00 -0.21 0.00 -0.18 0.00 0.00 178.31 177.92 1vk0 n ALA 105 N -2.08 2.97 -1.77 2.45 0.00 -0.79 -3.48 120.51 117.81 1vk0 n ALA 105 Ca -0.01 -0.34 -0.38 0.00 0.00 0.00 0.00 53.44 52.71 1vk0 n ALA 105 Cb 0.19 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.41 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 -2.54 6.48 0.00 0.00 0.15 -0.84 -4.50 113.70 112.44 1vk0 s SER 106 Ca 0.25 2.36 0.22 0.00 0.70 0.00 0.00 55.95 59.47 1vk0 s SER 106 Cb 0.19 -2.61 0.39 0.00 -1.71 0.00 0.00 66.02 62.28 1vk0 s SER 106 CO 0.52 -0.71 1.35 0.29 1.20 0.00 0.00 173.24 175.89 1vk0 n LYS 107 N 0.03 2.41 0.17 5.44 5.02 -1.26 -4.26 118.16 125.71 1vk0 n LYS 107 Ca 0.04 -2.21 0.02 0.00 -2.02 0.00 0.00 58.31 54.14 1vk0 n LYS 107 Cb 0.46 -1.48 0.35 0.00 -0.02 0.00 0.00 35.03 34.34 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 4.16 0.07 -3.48 2.13 0.05 -1.96 -3.45 116.94 114.46 1vk0 h PHE 108 Ca 0.00 -0.01 -0.32 0.00 3.82 0.00 0.00 57.97 61.46 1vk0 h PHE 108 Cb 0.94 -0.02 -0.15 0.00 2.00 0.00 0.00 35.95 38.73 1vk0 h PHE 108 CO 0.23 0.40 -0.69 0.14 -0.18 0.00 0.00 178.31 178.21 1vk0 s VAL 109 N -4.27 1.02 -0.18 -0.55 -7.23 -1.26 -4.87 120.40 103.06 1vk0 s VAL 109 Ca -0.03 -2.03 -0.11 0.00 -1.81 0.00 0.00 61.98 58.00 1vk0 s VAL 109 Cb 0.14 -1.95 -0.05 0.00 0.56 0.00 0.00 36.38 35.08 1vk0 s VAL 109 CO 0.73 -0.65 0.18 -0.89 -0.31 0.00 0.00 175.10 174.17 1vk0 s THR 110 N -3.42 5.38 -0.43 5.32 2.01 0.11 -4.83 115.64 119.78 1vk0 s THR 110 Ca 0.19 0.31 -0.22 0.00 0.31 0.00 0.00 61.69 62.28 1vk0 s THR 110 Cb 0.04 -3.52 0.02 0.00 0.01 0.00 0.00 72.50 69.05 1vk0 s THR 110 CO 0.02 0.44 0.71 -0.36 -0.69 0.00 0.00 174.62 174.74 1vk0 s PHE 111 N 0.25 3.04 -0.28 4.92 0.08 0.30 -0.70 117.98 125.60 1vk0 s PHE 111 Ca 0.11 0.10 -0.09 0.00 0.12 0.00 0.00 56.93 57.17 1vk0 s PHE 111 Cb -0.12 -3.48 -0.03 0.00 -0.57 0.00 0.00 43.02 38.83 1vk0 s PHE 111 CO 0.01 -0.90 0.14 0.08 -0.10 0.00 0.00 175.22 174.44 1vk0 s VAL 112 N 3.04 4.73 0.22 -0.44 1.01 -0.08 -0.91 120.40 127.97 1vk0 s VAL 112 Ca 0.26 -0.16 0.04 0.00 0.00 0.00 0.00 61.98 62.12 1vk0 s VAL 112 Cb -0.13 -3.30 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 1vk0 s VAL 112 CO 0.20 0.20 -0.02 -0.83 0.00 0.00 0.00 175.10 174.66 1vk0 s GLY 113 N 1.66 1.51 -0.09 4.51 0.00 -0.34 -0.76 107.32 113.81 1vk0 s GLY 113 Ca 0.06 -1.74 0.04 0.00 0.00 0.00 0.00 44.72 43.08 1vk0 s GLY 113 CO 0.07 -1.67 -0.22 0.14 0.00 0.00 0.00 173.10 171.42 1vk0 s VAL 114 N -3.39 2.25 -1.16 1.40 1.01 -1.26 -0.82 120.40 118.44 1vk0 s VAL 114 Ca 0.27 -0.96 -0.27 0.00 0.00 0.00 0.00 61.98 61.01 1vk0 s VAL 114 Cb 0.05 -1.86 0.02 0.00 0.00 0.00 0.00 36.38 34.59 1vk0 s VAL 114 CO 0.08 0.56 0.73 0.00 0.00 0.00 0.00 175.10 176.47 1vk0 n GLN 115 N 3.33 -0.71 -0.30 2.72 1.13 -1.26 -4.91 117.38 117.39 1vk0 n GLN 115 Ca -0.18 0.28 0.07 0.00 -1.94 0.00 0.00 57.00 55.23 1vk0 n GLN 115 Cb 0.53 -3.22 0.22 0.00 0.11 0.00 0.00 30.24 27.88 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 -4.55 1.30 0.02 5.09 -5.35 -1.26 -4.68 119.36 109.93 1vk0 n ILE 116 Ca -0.11 -1.16 -0.13 0.00 -0.27 0.00 0.00 62.75 61.08 1vk0 n ILE 116 Cb 0.58 0.34 -0.09 0.00 -1.74 0.00 0.00 39.64 38.73 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 2.55 -0.02 -0.57 6.28 4.81 -1.99 -0.37 114.58 125.26 1vk0 h GLU 117 Ca 0.00 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.14 1vk0 h GLU 117 Cb 0.96 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.33 1vk0 h GLU 117 CO 0.06 0.24 -0.01 0.93 -0.73 0.00 0.00 179.01 179.49 1vk0 h GLU 118 N -0.28 1.00 -0.50 1.92 4.39 -2.01 -3.03 114.58 116.08 1vk0 h GLU 118 Ca -0.00 -0.31 0.09 0.00 0.34 0.00 0.00 59.36 59.48 1vk0 h GLU 118 Cb 0.27 -0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 28.75 1vk0 h GLU 118 CO 0.00 0.99 0.04 -0.44 -1.16 0.00 0.00 179.01 178.45 1vk0 h ASP 119 N 0.91 -0.12 -0.79 1.42 3.32 -1.77 -0.43 116.42 118.97 1vk0 h ASP 119 Ca 0.16 0.11 -0.03 0.00 0.02 0.00 0.00 57.03 57.28 1vk0 h ASP 119 Cb 0.55 0.17 -0.04 0.00 0.22 0.00 0.00 39.33 40.24 1vk0 h ASP 119 CO 0.03 -0.03 0.36 -0.07 -1.72 0.00 0.00 179.24 177.81 1vk0 h LEU 120 N 0.17 1.05 -0.51 1.55 3.38 -0.95 0.07 115.31 120.06 1vk0 h LEU 120 Ca 0.25 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 1vk0 h LEU 120 Cb 0.36 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1vk0 h LEU 120 CO -0.38 0.90 0.23 0.44 0.09 0.00 0.00 178.44 179.72 1vk0 h ASP 121 N 1.12 0.68 -0.43 -0.43 3.32 -1.34 -0.65 116.42 118.69 1vk0 h ASP 121 Ca 0.27 -0.15 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1vk0 h ASP 121 Cb 0.15 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 1vk0 h ASP 121 CO -0.03 0.64 0.14 -0.07 -1.72 0.00 0.00 179.24 178.21 1vk0 h LEU 122 N 0.68 0.61 -0.62 1.55 3.38 -0.84 -1.02 115.31 119.05 1vk0 h LEU 122 Ca 0.17 -0.20 -0.00 0.00 0.09 0.00 0.00 57.88 57.95 1vk0 h LEU 122 Cb 0.16 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1vk0 h LEU 122 CO -0.02 0.64 0.38 -0.07 0.09 0.00 0.00 178.44 179.47 1vk0 h LEU 123 N 0.55 0.74 0.10 1.67 3.38 -0.77 0.11 115.31 121.07 1vk0 h LEU 123 Ca 0.14 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1vk0 h LEU 123 Cb 0.24 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1vk0 h LEU 123 CO -0.01 0.57 -0.05 -0.09 0.09 0.00 0.00 178.44 178.96 1vk0 h ARG 124 N 0.84 -0.12 -0.15 1.13 2.43 -0.99 -0.68 114.38 116.83 1vk0 h ARG 124 Ca 0.22 0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 59.19 1vk0 h ARG 124 Cb -0.04 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 29.55 1vk0 h ARG 124 CO -0.04 0.23 -0.75 0.93 -1.51 0.00 0.00 179.97 178.82 1vk0 h GLU 125 N -0.49 0.73 0.00 0.20 5.08 -1.12 -0.51 114.58 118.47 1vk0 h GLU 125 Ca -0.01 -0.58 -0.17 0.00 -1.00 0.00 0.00 59.36 57.60 1vk0 h GLU 125 Cb 0.41 0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 1vk0 h GLU 125 CO 0.02 1.20 -1.62 0.09 -1.00 0.00 0.00 179.01 177.70 1vk0 n ASN 126 N -3.92 0.61 0.00 1.42 4.13 0.37 -4.55 115.26 113.32 1vk0 n ASN 126 Ca -0.07 0.27 0.00 0.00 1.68 0.00 0.00 54.58 56.46 1vk0 n ASN 126 Cb 0.73 0.55 0.00 0.00 -1.54 0.00 0.00 39.78 39.52 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 -2.77 0.00 -2.09 3.10 8.25 -0.85 -5.00 115.22 115.86 1vk0 n HIS 127 Ca -0.12 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.17 1vk0 n HIS 127 Cb 0.83 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.92 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 0.49 0.27 3.67 -1.41 0.00 -0.20 -4.96 105.19 103.05 1vk0 n GLY 128 Ca 0.00 -0.16 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 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 -4.71 4.15 -0.09 0.99 0.20 -0.33 -4.92 118.68 113.97 1vk0 s LEU 129 Ca 0.00 0.40 0.02 0.00 0.69 0.00 0.00 54.13 55.24 1vk0 s LEU 129 Cb 0.00 -2.39 -0.02 0.00 -0.43 0.00 0.00 46.19 43.36 1vk0 s LEU 129 CO 0.00 -0.03 -0.16 -0.69 -0.29 0.00 0.00 176.35 175.18 1vk0 s VAL 130 N 1.19 2.82 -0.41 1.68 1.01 -1.26 -2.93 120.40 122.50 1vk0 s VAL 130 Ca 0.16 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.29 1vk0 s VAL 130 Cb -0.14 -2.13 0.09 0.00 0.00 0.00 0.00 36.38 34.20 1vk0 s VAL 130 CO 0.07 0.56 0.23 -0.63 0.00 0.00 0.00 175.10 175.32 1vk0 s ILE 131 N -0.10 3.86 0.25 2.22 1.01 -1.26 -3.91 121.20 123.28 1vk0 s ILE 131 Ca -0.03 -1.62 0.14 0.00 0.00 0.00 0.00 60.65 59.14 1vk0 s ILE 131 Cb -0.14 -3.44 0.05 0.00 0.01 0.00 0.00 42.46 38.94 1vk0 s ILE 131 CO 0.04 -0.55 1.69 0.03 0.00 0.00 0.00 174.94 176.15 1vk0 h ARG 132 N 8.28 0.00 -2.72 2.79 3.08 -1.79 -3.35 114.38 120.68 1vk0 h ARG 132 Ca -0.20 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.24 1vk0 h ARG 132 Cb 1.07 0.00 -0.41 0.00 0.08 0.00 0.00 29.97 30.71 1vk0 h ARG 132 CO 0.73 0.50 -0.71 -1.71 -1.07 0.00 0.00 179.97 177.72 1vk0 n ASN 133 N -3.74 2.11 -4.53 7.04 4.05 -1.26 -5.09 115.26 113.83 1vk0 n ASN 133 Ca -0.01 -3.01 -0.26 0.00 0.45 0.00 0.00 54.58 51.75 1vk0 n ASN 133 Cb 0.55 -0.69 -0.10 0.00 1.23 0.00 0.00 39.78 40.77 1vk0 n ASN 133 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1vk0 s ALA 134 N -1.23 2.85 -0.07 5.20 0.00 -1.26 -0.54 121.76 126.72 1vk0 s ALA 134 Ca 0.30 -1.60 -0.03 0.00 0.00 0.00 0.00 51.96 50.63 1vk0 s ALA 134 Cb 0.02 -0.58 0.04 0.00 0.00 0.00 0.00 23.12 22.60 1vk0 s ALA 134 CO -0.15 0.40 0.15 -1.50 0.00 0.00 0.00 175.76 174.66 1vk0 s ILE 135 N -1.90 -0.05 -0.89 0.00 1.10 -0.09 -4.90 121.20 114.46 1vk0 s ILE 135 Ca 0.26 0.18 -0.19 0.00 -0.51 0.00 0.00 60.65 60.38 1vk0 s ILE 135 Cb -0.08 -0.25 0.12 0.00 0.15 0.00 0.00 42.46 42.41 1vk0 s ILE 135 CO 0.15 0.07 1.10 0.21 -2.11 0.00 0.00 174.94 174.36 1vk0 s ASN 136 N 1.18 6.57 0.54 4.50 2.47 -1.26 -1.20 114.94 127.73 1vk0 s ASN 136 Ca -0.09 -1.91 0.30 0.00 0.42 0.00 0.00 52.86 51.58 1vk0 s ASN 136 Cb -0.11 -2.40 1.55 0.00 -1.45 0.00 0.00 41.25 38.84 1vk0 s ASN 136 CO -0.06 -1.11 2.10 1.62 -3.72 0.00 0.00 177.10 175.93 1vk0 h VAL 137 N 5.86 0.44 -0.00 -5.21 3.04 -1.37 -2.80 116.25 116.21 1vk0 h VAL 137 Ca 0.10 -0.47 -0.06 0.00 -1.01 0.00 0.00 66.70 65.26 1vk0 h VAL 137 Cb 1.03 1.32 -0.01 0.00 -2.01 0.00 0.00 31.29 31.62 1vk0 h VAL 137 CO 1.12 0.09 -0.29 1.23 -1.01 0.00 0.00 177.57 178.70 1vk0 h GLY 138 N 0.89 0.00 1.30 3.17 0.00 -1.82 0.20 103.07 106.82 1vk0 h GLY 138 Ca -0.00 -0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.11 1vk0 h GLY 138 CO 0.01 0.00 -0.80 1.70 0.00 0.00 0.00 176.54 177.46 1vk0 h LYS 139 N 0.00 0.67 -0.32 4.80 1.63 -1.76 -0.29 116.57 121.32 1vk0 h LYS 139 Ca -0.00 -0.57 -0.04 0.00 -0.85 0.00 0.00 60.65 59.19 1vk0 h LYS 139 Cb 0.52 0.12 -0.01 0.00 -0.60 0.00 0.00 32.23 32.26 1vk0 h LYS 139 CO 0.04 1.18 0.04 1.25 -3.45 0.00 0.00 179.45 178.51 1vk0 h LEU 140 N 0.45 0.51 -0.61 5.20 5.85 -1.48 -1.65 115.31 123.58 1vk0 h LEU 140 Ca -0.05 -0.27 0.12 0.00 0.84 0.00 0.00 57.88 58.52 1vk0 h LEU 140 Cb 1.41 -0.14 -0.12 0.00 0.37 0.00 0.00 40.66 42.19 1vk0 h LEU 140 CO 0.16 0.65 -0.21 0.00 -0.34 0.00 0.00 178.44 178.70 1vk0 h ALA 141 N 0.88 0.28 -0.30 1.25 0.00 -0.51 0.17 119.26 121.03 1vk0 h ALA 141 Ca 0.10 0.22 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1vk0 h ALA 141 Cb 0.37 0.57 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1vk0 h ALA 141 CO 0.01 -0.50 0.17 0.00 0.00 0.00 0.00 179.25 178.93 1vk0 h ALA 142 N 1.44 0.38 -0.24 0.00 0.00 -0.86 -0.61 119.26 119.37 1vk0 h ALA 142 Ca 0.28 -0.06 -0.10 0.00 0.00 0.00 0.00 54.91 55.04 1vk0 h ALA 142 Cb 0.49 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.16 1vk0 h ALA 142 CO -0.65 -0.11 -0.24 0.93 0.00 0.00 0.00 179.25 179.17 1vk0 h GLU 143 N 0.37 0.59 -0.25 0.00 5.08 -0.88 -0.35 114.58 119.14 1vk0 h GLU 143 Ca 0.11 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1vk0 h GLU 143 Cb 0.03 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1vk0 h GLU 143 CO -0.02 0.91 0.12 0.00 -1.00 0.00 0.00 179.01 179.01 1vk0 h ALA 144 N 0.67 0.32 -0.00 3.43 0.00 -0.52 -2.98 119.26 120.17 1vk0 h ALA 144 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1vk0 h ALA 144 Cb 0.80 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1vk0 h ALA 144 CO 0.06 -0.12 -0.23 0.54 0.00 0.00 0.00 179.25 179.50 1vk0 n ARG 145 N -4.82 0.53 -3.47 0.00 1.74 -0.25 -4.96 116.66 105.43 1vk0 n ARG 145 Ca -0.03 -0.25 -0.25 0.00 -0.77 0.00 0.00 57.85 56.56 1vk0 n ARG 145 Cb 0.10 -1.49 0.05 0.00 -1.02 0.00 0.00 32.46 30.10 1vk0 n ARG 145 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1vk0 n GLY 146 N 1.37 -0.53 2.87 -0.13 0.00 -0.19 -4.99 105.19 103.59 1vk0 n GLY 146 Ca 0.11 0.20 -0.30 0.00 0.00 0.00 0.00 46.02 46.03 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 -3.25 1.70 0.28 2.61 2.01 -0.91 -5.02 115.64 113.06 1vk0 s THR 147 Ca 0.51 -2.12 0.02 0.00 0.31 0.00 0.00 61.69 60.41 1vk0 s THR 147 Cb -0.23 -2.25 0.27 0.00 0.01 0.00 0.00 72.50 70.30 1vk0 s THR 147 CO 0.63 -0.68 1.75 -0.07 -0.69 0.00 0.00 174.62 175.55 1vk0 h LEU 148 N 7.57 0.54 -2.02 4.42 3.38 -1.94 -2.87 115.31 124.40 1vk0 h LEU 148 Ca -0.07 0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.99 1vk0 h LEU 148 Cb 0.99 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.77 1vk0 h LEU 148 CO 0.51 0.17 -0.09 1.62 0.09 0.00 0.00 178.44 180.74 1vk0 h VAL 149 N 0.60 0.51 -0.05 1.22 3.04 -1.95 -2.83 116.25 116.78 1vk0 h VAL 149 Ca 0.52 -0.44 0.02 0.00 -1.01 0.00 0.00 66.70 65.79 1vk0 h VAL 149 Cb 0.84 1.29 -0.00 0.00 -2.01 0.00 0.00 31.29 31.41 1vk0 h VAL 149 CO -0.41 0.09 0.04 -0.07 -1.01 0.00 0.00 177.57 176.21 1vk0 h LEU 150 N 0.00 0.00 -2.20 3.16 3.38 -1.81 0.17 115.31 118.01 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 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1vk0 h LEU 150 CO 0.01 0.00 -0.04 -0.08 0.09 0.00 0.00 178.44 178.42 1vk0 h GLU 151 N 0.00 0.00 -0.38 1.13 4.81 -1.38 -3.18 114.58 115.57 1vk0 h GLU 151 Ca 0.02 0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.09 1vk0 h GLU 151 Cb 0.10 0.00 -0.10 0.00 0.63 0.00 0.00 28.75 29.39 1vk0 h GLU 151 CO -0.00 0.04 0.00 1.19 -0.73 0.00 0.00 179.01 179.51 1vk0 n PHE 152 N -4.00 1.22 -4.18 0.92 3.72 0.60 -4.64 117.46 111.11 1vk0 n PHE 152 Ca -0.03 -1.43 -0.30 0.00 -0.05 0.00 0.00 57.45 55.64 1vk0 n PHE 152 Cb 0.12 -0.49 -0.09 0.00 -0.94 0.00 0.00 39.48 38.09 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 -3.14 3.36 1.09 4.37 1.43 -1.20 -5.10 118.68 119.48 1vk0 s LEU 153 Ca 0.45 -0.21 -0.16 0.00 -1.03 0.00 0.00 54.13 53.18 1vk0 s LEU 153 Cb 0.40 -2.09 0.23 0.00 0.03 0.00 0.00 46.19 44.76 1vk0 s LEU 153 CO 0.03 0.19 1.12 -0.83 0.23 0.00 0.00 176.35 177.09 1vk0 s GLY 154 N -2.19 1.59 0.10 -3.19 0.00 -1.26 -4.72 107.32 97.65 1vk0 s GLY 154 Ca 0.24 -0.73 -0.32 0.00 0.00 0.00 0.00 44.72 43.91 1vk0 s GLY 154 CO 0.16 0.02 1.59 -0.84 0.00 0.00 0.00 173.10 174.04 1vk0 h THR 155 N -2.17 0.19 -0.58 0.90 2.02 -2.00 0.52 112.91 111.79 1vk0 h THR 155 Ca -0.49 0.00 -0.01 0.00 0.77 0.00 0.00 66.41 66.68 1vk0 h THR 155 Cb 1.31 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1vk0 h THR 155 CO 0.46 0.00 0.33 -0.09 0.37 0.00 0.00 175.52 176.59 1vk0 h ARG 156 N -0.73 0.80 -0.06 6.66 1.12 -1.96 -1.99 114.38 118.22 1vk0 h ARG 156 Ca -0.01 -0.09 -0.16 0.00 -1.11 0.00 0.00 59.98 58.62 1vk0 h ARG 156 Cb 0.70 -0.16 -0.01 0.00 -0.01 0.00 0.00 29.97 30.49 1vk0 h ARG 156 CO -0.15 0.60 -0.66 1.49 -3.11 0.00 0.00 179.97 178.14 1vk0 h GLU 157 N 0.78 0.24 -0.17 0.20 4.57 -1.88 0.23 114.58 118.55 1vk0 h GLU 157 Ca 0.21 -0.18 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1vk0 h GLU 157 Cb 0.02 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.64 1vk0 h GLU 157 CO -0.04 0.82 -0.06 1.25 -1.18 0.00 0.00 179.01 179.81 1vk0 h LEU 158 N 0.17 0.34 -0.55 1.64 5.85 -0.58 -1.57 115.31 120.61 1vk0 h LEU 158 Ca -0.01 -0.38 0.08 0.00 0.84 0.00 0.00 57.88 58.40 1vk0 h LEU 158 Cb 1.19 -0.09 -0.06 0.00 0.37 0.00 0.00 40.66 42.07 1vk0 h LEU 158 CO 0.10 0.65 0.21 0.00 -0.34 0.00 0.00 178.44 179.06 1vk0 h ALA 159 N 0.71 0.70 -0.57 1.25 0.00 -0.80 -2.40 119.26 118.13 1vk0 h ALA 159 Ca 0.04 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.13 1vk0 h ALA 159 Cb 0.51 0.03 -0.11 0.00 0.00 0.00 0.00 17.79 18.22 1vk0 h ALA 159 CO 0.02 -0.19 -0.21 1.25 0.00 0.00 0.00 179.25 180.12 1vk0 h HIS 160 N 0.40 -0.51 -0.00 0.00 -0.00 -0.40 0.22 115.15 114.85 1vk0 h HIS 160 Ca 0.27 0.06 0.00 0.00 -0.00 0.00 0.00 60.37 60.70 1vk0 h HIS 160 Cb 0.30 0.31 0.00 0.00 -0.00 0.00 0.00 27.41 28.02 1vk0 h HIS 160 CO -0.16 -0.30 -0.16 0.54 -0.00 0.00 0.00 177.93 177.84 1vk0 n ARG 161 N -5.43 0.37 -0.12 5.26 5.12 -0.61 -0.97 116.66 120.28 1vk0 n ARG 161 Ca 0.06 -0.12 -0.26 0.00 -1.93 0.00 0.00 57.85 55.59 1vk0 n ARG 161 Cb 0.33 -1.50 -0.09 0.00 -1.16 0.00 0.00 32.46 30.05 1vk0 n ARG 161 CO 0.00 0.00 0.00 0.28 -1.93 0.00 0.00 177.63 175.98 1vk0 n VAL 162 N -1.21 1.41 0.01 1.55 0.31 -0.95 -4.82 118.33 114.63 1vk0 n VAL 162 Ca 0.11 -0.31 0.11 0.00 -0.01 0.00 0.00 64.34 64.23 1vk0 n VAL 162 Cb 0.31 -1.89 -0.17 0.00 -0.91 0.00 0.00 33.84 31.18 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 -4.17 0.03 -3.97 7.52 4.77 0.75 -5.00 117.00 116.92 1vk0 n LEU 163 Ca -0.47 -0.01 -0.27 0.00 -0.03 0.00 0.00 56.01 55.23 1vk0 n LEU 163 Cb 0.83 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.89 1vk0 n LEU 163 CO 0.04 0.00 -0.25 0.79 -1.33 0.00 0.00 177.39 176.65 1vk0 n TRP 164 N -2.25 -1.62 -4.67 -1.77 7.02 -0.14 -4.96 117.44 109.06 1vk0 n TRP 164 Ca -0.04 0.70 -0.30 0.00 -1.02 0.00 0.00 57.50 56.83 1vk0 n TRP 164 Cb 0.56 -3.60 -0.09 0.00 -2.42 0.00 0.00 31.31 25.76 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 -4.30 4.03 -0.13 -0.99 1.04 -1.26 -5.10 113.70 106.99 1vk0 s SER 165 Ca 0.04 -1.51 -0.29 0.00 0.48 0.00 0.00 55.95 54.67 1vk0 s SER 165 Cb -0.02 0.08 -0.02 0.00 0.10 0.00 0.00 66.02 66.16 1vk0 s SER 165 CO 0.90 -0.67 1.19 -0.62 0.98 0.00 0.00 173.24 175.03 1vk0 s ASP 166 N -3.81 7.03 -0.07 7.02 2.15 -1.26 -4.90 116.67 122.83 1vk0 s ASP 166 Ca 0.20 1.68 0.10 0.00 0.43 0.00 0.00 52.55 54.96 1vk0 s ASP 166 Cb 0.05 -2.55 0.17 0.00 -0.30 0.00 0.00 42.92 40.30 1vk0 s ASP 166 CO 0.10 -0.66 1.10 0.18 -0.17 0.00 0.00 175.17 175.72 1vk0 n LEU 167 N 5.94 2.29 -0.25 -1.34 4.77 -1.26 -4.74 117.00 122.40 1vk0 n LEU 167 Ca 0.12 -2.54 -0.03 0.00 -0.03 0.00 0.00 56.01 53.53 1vk0 n LEU 167 Cb 0.46 -0.23 0.08 0.00 -2.33 0.00 0.00 43.42 41.40 1vk0 n LEU 167 CO 0.55 0.61 1.15 1.23 -1.33 0.00 0.00 177.39 179.60 1vk0 h GLY 168 N 0.18 1.02 0.98 -0.72 0.00 -1.99 -0.16 103.07 102.38 1vk0 h GLY 168 Ca 0.00 -0.34 -0.00 0.00 0.00 0.00 0.00 47.33 46.99 1vk0 h GLY 168 CO 0.01 0.29 0.21 -1.61 0.00 0.00 0.00 176.54 175.44 1vk0 h GLN 169 N 0.87 0.47 -0.22 4.80 5.75 -2.00 -0.93 115.11 123.85 1vk0 h GLN 169 Ca 0.28 -0.04 -0.03 0.00 -0.15 0.00 0.00 58.65 58.71 1vk0 h GLN 169 Cb 0.01 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 28.46 1vk0 h GLN 169 CO -0.11 0.36 0.00 1.25 -2.65 0.00 0.00 178.83 177.68 1vk0 h LEU 170 N 0.45 0.37 -0.88 -2.39 5.85 -1.80 -2.68 115.31 114.24 1vk0 h LEU 170 Ca 0.12 -0.31 0.06 0.00 0.84 0.00 0.00 57.88 58.60 1vk0 h LEU 170 Cb 0.01 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 1vk0 h LEU 170 CO -0.02 0.59 0.55 0.44 -0.34 0.00 0.00 178.44 179.65 1vk0 h ASP 171 N 0.15 0.86 -0.08 1.25 3.45 -0.93 -1.40 116.42 119.72 1vk0 h ASP 171 Ca 0.06 0.02 -0.07 0.00 0.43 0.00 0.00 57.03 57.47 1vk0 h ASP 171 Cb 0.40 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 38.99 1vk0 h ASP 171 CO 0.01 0.55 -0.13 0.77 -1.57 0.00 0.00 179.24 178.87 1vk0 h SER 172 N 0.99 0.40 -0.11 6.45 4.64 -1.01 0.34 113.55 125.25 1vk0 h SER 172 Ca 0.39 -0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.48 1vk0 h SER 172 Cb 0.18 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1vk0 h SER 172 CO -0.18 0.57 -0.42 0.40 -0.87 0.00 0.00 176.83 176.33 1vk0 h ILE 173 N 0.39 1.37 0.00 0.95 2.04 -1.05 -3.29 117.51 117.92 1vk0 h ILE 173 Ca 0.07 -1.74 -0.20 0.00 1.00 0.00 0.00 64.86 64.00 1vk0 h ILE 173 Cb 0.47 2.15 -0.03 0.00 -0.74 0.00 0.00 36.82 38.67 1vk0 h ILE 173 CO 0.03 0.52 -0.96 -0.33 0.00 0.00 0.00 178.15 177.41 1vk0 h GLU 174 N 0.08 0.00 -0.33 2.37 5.08 -0.70 -2.62 114.58 118.45 1vk0 h GLU 174 Ca -0.02 0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.41 1vk0 h GLU 174 Cb 1.05 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1vk0 h GLU 174 CO 0.09 0.96 0.23 0.00 -1.00 0.00 0.00 179.01 179.29 1vk0 h ALA 175 N 1.04 2.15 -0.70 3.43 0.00 -0.47 -2.40 119.26 122.31 1vk0 h ALA 175 Ca -0.01 -0.01 -0.49 0.00 0.00 0.00 0.00 54.91 54.40 1vk0 h ALA 175 Cb 1.72 -0.02 -0.33 0.00 0.00 0.00 0.00 17.79 19.16 1vk0 h ALA 175 CO 0.12 -0.23 -0.32 0.36 0.00 0.00 0.00 179.25 179.19 1vk0 n LYS 176 N -4.47 3.03 -0.28 0.00 2.85 -1.01 -4.88 118.16 113.41 1vk0 n LYS 176 Ca 0.04 -3.78 0.03 0.00 -1.05 0.00 0.00 58.31 53.55 1vk0 n LYS 176 Cb 0.32 -2.17 0.17 0.00 -0.65 0.00 0.00 35.03 32.69 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 0.77 0.00 5.58 2.91 -1.24 0.20 115.95 126.05 1vk0 h TRP 177 Ca 0.38 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.43 1vk0 h TRP 177 Cb 1.38 -0.23 -0.00 0.00 -0.51 0.00 0.00 29.16 29.80 1vk0 h TRP 177 CO 1.01 0.28 -0.01 1.05 -1.03 0.00 0.00 178.44 179.74 1vk0 h GLU 178 N 0.70 0.00 -0.02 2.65 9.09 -1.88 -1.67 114.58 123.45 1vk0 h GLU 178 Ca 0.39 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.80 1vk0 h GLU 178 Cb 0.41 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.51 1vk0 h GLU 178 CO -0.27 0.01 -0.27 1.63 0.05 0.00 0.00 179.01 180.16 1vk0 n LYS 179 N -3.27 1.63 -2.84 1.06 5.02 0.67 -4.96 118.16 115.47 1vk0 n LYS 179 Ca -0.02 -1.30 -0.40 0.00 -2.02 0.00 0.00 58.31 54.56 1vk0 n LYS 179 Cb 0.11 -1.43 -0.05 0.00 -0.02 0.00 0.00 35.03 33.64 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 -2.16 3.31 1.03 7.82 0.00 -0.63 -5.04 121.76 126.08 1vk0 s ALA 180 Ca 0.21 0.45 -0.13 0.00 0.00 0.00 0.00 51.96 52.49 1vk0 s ALA 180 Cb 0.18 -3.15 0.20 0.00 0.00 0.00 0.00 23.12 20.35 1vk0 s ALA 180 CO 0.44 0.04 1.10 0.20 0.00 0.00 0.00 175.76 177.53 1vk0 s GLY 181 N -0.15 1.56 0.39 0.00 0.00 -1.26 -4.76 107.32 103.10 1vk0 s GLY 181 Ca 0.43 -0.44 0.06 0.00 0.00 0.00 0.00 44.72 44.76 1vk0 s GLY 181 CO 0.27 0.20 2.03 -2.55 0.00 0.00 0.00 173.10 173.06 1vk0 h PRO 182 N -1.98 0.65 -0.28 2.90 0.11 -1.99 -0.36 132.00 131.05 1vk0 h PRO 182 Ca -0.54 -0.04 -0.11 0.00 0.11 0.00 0.00 66.00 65.41 1vk0 h PRO 182 Cb 1.33 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1vk0 h PRO 182 CO 0.56 0.43 -0.30 1.05 -0.21 0.00 0.00 178.00 179.53 1vk0 h GLU 183 N 0.67 0.58 -0.00 1.05 9.09 -1.99 -0.74 114.58 123.24 1vk0 h GLU 183 Ca 0.20 -0.25 -0.21 0.00 0.05 0.00 0.00 59.36 59.14 1vk0 h GLU 183 Cb -0.02 -0.02 -0.00 0.00 -1.65 0.00 0.00 28.75 27.06 1vk0 h GLU 183 CO -0.05 0.82 -0.91 0.93 0.05 0.00 0.00 179.01 179.86 1vk0 h GLU 184 N 0.50 0.31 -0.46 1.06 5.08 -1.65 -1.29 114.58 118.14 1vk0 h GLU 184 Ca 0.06 -0.34 -0.09 0.00 -1.00 0.00 0.00 59.36 58.00 1vk0 h GLU 184 Cb 0.77 0.10 -0.02 0.00 0.50 0.00 0.00 28.75 30.10 1vk0 h GLU 184 CO 0.06 1.03 -0.05 1.96 -1.00 0.00 0.00 179.01 181.01 1vk0 h GLN 185 N 0.18 0.85 -0.67 2.33 4.20 -1.02 -2.12 115.11 118.87 1vk0 h GLN 185 Ca -0.06 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.33 1vk0 h GLN 185 Cb 1.54 -0.06 -0.03 0.00 0.30 0.00 0.00 27.48 29.22 1vk0 h GLN 185 CO 0.15 0.93 0.34 1.25 -0.67 0.00 0.00 178.83 180.83 1vk0 h LEU 186 N 0.70 0.85 -0.49 1.46 5.85 -1.09 -1.91 115.31 120.68 1vk0 h LEU 186 Ca 0.12 -0.11 0.06 0.00 0.84 0.00 0.00 57.88 58.79 1vk0 h LEU 186 Cb 0.58 -0.22 -0.06 0.00 0.37 0.00 0.00 40.66 41.34 1vk0 h LEU 186 CO 0.03 0.73 0.18 -0.08 -0.34 0.00 0.00 178.44 178.96 1vk0 h GLU 187 N 0.92 0.35 -0.64 1.25 4.81 -0.95 0.66 114.58 120.98 1vk0 h GLU 187 Ca 0.23 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.41 1vk0 h GLU 187 Cb 0.08 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 29.35 1vk0 h GLU 187 CO -0.03 0.23 0.27 0.00 -0.73 0.00 0.00 179.01 178.76 1vk0 h ALA 188 N 1.32 0.84 -0.15 2.92 0.00 -0.94 -0.11 119.26 123.13 1vk0 h ALA 188 Ca 0.23 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1vk0 h ALA 188 Cb 0.24 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1vk0 h ALA 188 CO -0.23 0.44 -0.04 0.00 0.00 0.00 0.00 179.25 179.42 1vk0 h ALA 189 N 1.12 0.10 -0.52 0.00 0.00 -0.76 -0.53 119.26 118.67 1vk0 h ALA 189 Ca 0.22 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.24 1vk0 h ALA 189 Cb 0.18 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1vk0 h ALA 189 CO -0.02 -0.48 0.25 0.00 0.00 0.00 0.00 179.25 179.00 1vk0 h ALA 190 N 1.15 0.66 -0.60 0.00 0.00 -0.60 0.11 119.26 119.98 1vk0 h ALA 190 Ca 0.07 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.99 1vk0 h ALA 190 Cb 0.11 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1vk0 h ALA 190 CO -0.16 -0.11 0.28 0.82 0.00 0.00 0.00 179.25 180.08 1vk0 h ILE 191 N 0.48 1.22 -0.34 0.00 2.04 -0.69 -1.20 117.51 119.02 1vk0 h ILE 191 Ca 0.23 -0.62 -0.10 0.00 1.00 0.00 0.00 64.86 65.37 1vk0 h ILE 191 Cb 0.17 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1vk0 h ILE 191 CO -0.18 0.25 -0.20 -0.33 0.00 0.00 0.00 178.15 177.69 1vk0 h GLU 192 N 0.82 0.64 -0.31 2.37 5.08 -0.71 -0.34 114.58 122.13 1vk0 h GLU 192 Ca 0.20 -0.23 0.03 0.00 -1.00 0.00 0.00 59.36 58.36 1vk0 h GLU 192 Cb 0.14 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1vk0 h GLU 192 CO -0.02 0.80 0.10 0.78 -1.00 0.00 0.00 179.01 179.67 1vk0 h GLY 193 N 0.99 0.38 1.00 -3.84 0.00 -0.15 -1.83 103.07 99.63 1vk0 h GLY 193 Ca 0.09 -0.06 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1vk0 h GLY 193 CO 0.05 0.03 0.34 -0.25 0.00 0.00 0.00 176.54 176.70 1vk0 h TRP 194 N 0.24 0.67 -0.69 5.60 7.01 -0.92 -0.74 115.95 127.11 1vk0 h TRP 194 Ca 0.14 0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.14 1vk0 h TRP 194 Cb 0.11 -0.22 -0.03 0.00 -2.10 0.00 0.00 29.16 26.91 1vk0 h TRP 194 CO -0.14 0.44 0.41 -0.07 -2.79 0.00 0.00 178.44 176.29 1vk0 h LEU 195 N 0.71 0.84 -0.24 0.65 3.38 -0.66 -1.80 115.31 118.18 1vk0 h LEU 195 Ca 0.19 -0.07 -0.21 0.00 0.09 0.00 0.00 57.88 57.88 1vk0 h LEU 195 Cb -0.06 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.48 1vk0 h LEU 195 CO -0.04 0.67 -0.86 0.40 0.09 0.00 0.00 178.44 178.70 1vk0 h ILE 196 N 0.95 1.37 -0.77 1.22 1.08 -1.08 0.45 117.51 120.73 1vk0 h ILE 196 Ca 0.25 -2.28 0.14 0.00 -0.39 0.00 0.00 64.86 62.58 1vk0 h ILE 196 Cb -0.01 2.26 -0.14 0.00 -3.07 0.00 0.00 36.82 35.86 1vk0 h ILE 196 CO -0.04 0.69 -0.28 0.58 -0.69 0.00 0.00 178.15 178.40 1vk0 h VAL 197 N 0.29 0.15 -0.09 1.67 2.07 -0.99 0.18 116.25 119.52 1vk0 h VAL 197 Ca -0.06 0.00 -0.17 0.00 0.82 0.00 0.00 66.70 67.28 1vk0 h VAL 197 Cb 1.47 0.15 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1vk0 h VAL 197 CO 0.15 0.00 -0.68 0.78 0.02 0.00 0.00 177.57 177.84 1vk0 h ASN 198 N -0.06 0.47 -0.38 0.57 2.35 -0.73 -1.24 115.58 116.55 1vk0 h ASN 198 Ca 0.32 -0.29 0.07 0.00 -0.55 0.00 0.00 56.30 55.85 1vk0 h ASN 198 Cb 0.58 -0.14 -0.06 0.00 0.05 0.00 0.00 38.32 38.75 1vk0 h ASN 198 CO -0.81 1.01 0.02 0.58 -1.65 0.00 0.00 177.43 176.58 1vk0 h VAL 199 N 0.28 0.74 0.03 2.81 2.07 0.53 -1.12 116.25 121.59 1vk0 h VAL 199 Ca -0.02 -0.04 0.01 0.00 0.82 0.00 0.00 66.70 67.46 1vk0 h VAL 199 Cb 1.24 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 31.60 1vk0 h VAL 199 CO 0.12 0.02 -0.05 -0.25 0.02 0.00 0.00 177.57 177.43 1vk0 h TRP 200 N 0.12 -0.13 -0.88 1.57 2.91 -0.21 -0.66 115.95 118.68 1vk0 h TRP 200 Ca 0.18 0.00 0.16 0.00 1.13 0.00 0.00 58.89 60.37 1vk0 h TRP 200 Cb 0.25 0.05 -0.10 0.00 -0.51 0.00 0.00 29.16 28.85 1vk0 h TRP 200 CO -0.24 -0.08 0.46 -0.44 -1.03 0.00 0.00 178.44 177.10 1vk0 h ASP 201 N -0.11 0.54 -0.53 2.65 3.32 -1.19 0.16 116.42 121.27 1vk0 h ASP 201 Ca 0.01 0.10 -0.10 0.00 0.02 0.00 0.00 57.03 57.06 1vk0 h ASP 201 Cb 0.11 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 1vk0 h ASP 201 CO -0.03 0.20 -0.03 -0.61 -1.72 0.00 0.00 179.24 177.05 1vk0 h GLN 202 N 0.62 0.98 -0.06 3.56 5.75 -0.67 -3.09 115.11 122.20 1vk0 h GLN 202 Ca 0.49 -0.32 -0.24 0.00 -0.15 0.00 0.00 58.65 58.44 1vk0 h GLN 202 Cb 0.74 -0.09 0.01 0.00 1.07 0.00 0.00 27.48 29.21 1vk0 h GLN 202 CO -0.39 0.99 -0.92 -0.07 -2.65 0.00 0.00 178.83 175.79 1vk0 h LEU 203 N 0.90 0.84 -0.16 -2.39 3.38 0.48 -3.31 115.31 115.04 1vk0 h LEU 203 Ca 0.16 -0.62 -0.14 0.00 0.09 0.00 0.00 57.88 57.37 1vk0 h LEU 203 Cb 0.57 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.07 1vk0 h LEU 203 CO 0.03 1.42 -0.43 0.77 0.09 0.00 0.00 178.44 180.32 1vk0 h SER 204 N 0.42 0.66 -1.57 -0.43 4.64 -0.78 -2.95 113.55 113.55 1vk0 h SER 204 Ca -0.09 -0.58 -0.73 0.00 -0.47 0.00 0.00 61.79 59.92 1vk0 h SER 204 Cb 1.55 -0.19 -0.28 0.00 -0.31 0.00 0.00 62.40 63.17 1vk0 h SER 204 CO 0.18 1.12 0.98 -0.67 -0.87 0.00 0.00 176.83 177.58 1vk0 n ASP 205 N -4.25 7.61 -0.62 4.97 2.03 -1.17 -5.12 116.55 120.00 1vk0 n ASP 205 Ca -0.07 -3.82 0.13 0.00 0.52 0.00 0.00 54.79 51.56 1vk0 n ASP 205 Cb 0.55 -1.03 0.40 0.00 -0.72 0.00 0.00 41.12 40.32 1vk0 n ASP 205 CO 0.00 0.00 0.00 1.21 -1.92 0.00 0.00 177.20 176.49