#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 3.40 0.09 7.33 0.00 -1.26 -5.07 121.76 126.25 1vk0 s ALA 2 Ca 0.00 -1.20 -0.07 0.00 0.00 0.00 0.00 51.96 50.70 1vk0 s ALA 2 Cb 0.00 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.94 1vk0 s ALA 2 CO 0.00 -1.57 0.14 -1.54 0.00 0.00 0.00 175.76 172.79 1vk0 s SER 3 N 1.89 0.20 -1.14 0.00 1.04 -1.26 -5.03 113.70 109.39 1vk0 s SER 3 Ca 0.20 -0.77 -0.17 0.00 0.48 0.00 0.00 55.95 55.69 1vk0 s SER 3 Cb -0.15 0.31 0.13 0.00 0.10 0.00 0.00 66.02 66.42 1vk0 s SER 3 CO 0.16 -0.71 1.42 -0.36 0.98 0.00 0.00 173.24 174.73 1vk0 s PHE 4 N -3.89 3.19 -0.47 5.02 0.40 -1.26 -4.76 117.98 116.21 1vk0 s PHE 4 Ca 0.07 -1.75 0.13 0.00 -0.60 0.00 0.00 56.93 54.79 1vk0 s PHE 4 Cb 0.06 -4.43 0.39 0.00 0.51 0.00 0.00 43.02 39.55 1vk0 s PHE 4 CO -0.09 -1.55 1.31 -0.40 0.70 0.00 0.00 175.22 175.19 1vk0 n ASP 5 N 6.68 3.27 -2.81 1.36 3.85 -1.16 -4.28 116.55 123.46 1vk0 n ASP 5 Ca 0.36 -2.54 -0.10 0.00 -0.71 0.00 0.00 54.79 51.80 1vk0 n ASP 5 Cb 0.46 -0.37 0.08 0.00 -1.35 0.00 0.00 41.12 39.93 1vk0 n ASP 5 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1vk0 n GLY 6 N -0.15 -2.36 3.62 6.12 0.00 -0.50 -4.97 105.19 106.96 1vk0 n GLY 6 Ca 0.16 -1.50 -0.40 0.00 0.00 0.00 0.00 46.02 44.28 1vk0 n GLY 6 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1vk0 n PRO 7 N -2.49 1.23 -4.55 1.61 -0.04 -1.26 -4.45 135.00 125.04 1vk0 n PRO 7 Ca 0.05 0.45 -0.33 0.00 -0.04 0.00 0.00 63.50 63.63 1vk0 n PRO 7 Cb 0.19 -2.12 -0.13 0.00 -0.04 0.00 0.00 33.50 31.40 1vk0 n PRO 7 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 1vk0 s LYS 8 N -2.32 3.52 0.02 0.54 2.20 -1.26 -2.85 119.74 119.59 1vk0 s LYS 8 Ca 0.68 -0.61 0.04 0.00 -0.36 0.00 0.00 55.97 55.72 1vk0 s LYS 8 Cb -0.49 -2.78 -0.03 0.00 -1.51 0.00 0.00 37.83 33.01 1vk0 s LYS 8 CO 0.53 0.20 -0.06 -0.06 -0.36 0.00 0.00 175.35 175.60 1vk0 s PHE 9 N 0.42 2.89 0.09 4.03 0.08 -0.19 -4.94 117.98 120.37 1vk0 s PHE 9 Ca -0.07 -0.04 0.02 0.00 0.12 0.00 0.00 56.93 56.95 1vk0 s PHE 9 Cb -0.15 -1.59 0.02 0.00 -0.57 0.00 0.00 43.02 40.73 1vk0 s PHE 9 CO 0.04 0.39 0.13 1.17 -0.10 0.00 0.00 175.22 176.85 1vk0 n LYS 10 N 1.38 0.93 0.09 0.44 4.81 -1.26 -1.12 118.16 123.43 1vk0 n LYS 10 Ca -0.15 -0.51 -0.07 0.00 -0.87 0.00 0.00 58.31 56.71 1vk0 n LYS 10 Cb 0.52 -0.04 -0.01 0.00 0.02 0.00 0.00 35.03 35.52 1vk0 n LYS 10 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 1vk0 h THR 12 N 0.01 1.54 -0.50 3.15 2.02 -1.93 -3.48 112.91 113.72 1vk0 h THR 12 Ca -0.04 -2.76 0.00 0.00 0.77 0.00 0.00 66.41 64.38 1vk0 h THR 12 Cb 0.20 2.53 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 1vk0 h THR 12 CO 0.06 0.80 0.00 -0.90 0.37 0.00 0.00 175.52 175.85 1vk0 n ASP 13 N -3.60 3.46 0.00 4.18 5.75 -1.26 -4.95 116.55 120.12 1vk0 n ASP 13 Ca -0.02 -1.97 0.00 0.00 -0.01 0.00 0.00 54.79 52.79 1vk0 n ASP 13 Cb 0.82 -0.33 0.00 0.00 -1.03 0.00 0.00 41.12 40.58 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 1.28 2.43 3.75 6.12 0.00 -1.26 -5.04 105.19 112.47 1vk0 n GLY 14 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.60 3.90 0.16 1.61 1.04 -1.26 -5.03 113.70 112.52 1vk0 s SER 15 Ca 0.00 1.41 0.10 0.00 0.48 0.00 0.00 55.95 57.94 1vk0 s SER 15 Cb 0.00 -2.11 -0.04 0.00 0.10 0.00 0.00 66.02 63.97 1vk0 s SER 15 CO 0.00 -2.36 -0.23 -0.31 0.98 0.00 0.00 173.24 171.33 1vk0 s TYR 16 N -3.03 2.08 -0.08 5.02 1.51 -1.26 -4.46 117.35 117.13 1vk0 s TYR 16 Ca 0.62 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 56.31 1vk0 s TYR 16 Cb -0.16 -1.07 0.01 0.00 -0.11 0.00 0.00 41.96 40.62 1vk0 s TYR 16 CO 0.56 0.37 -0.16 0.08 -1.11 0.00 0.00 175.55 175.29 1vk0 s VAL 17 N -1.55 1.43 0.06 0.71 1.01 -0.28 -4.75 120.40 117.03 1vk0 s VAL 17 Ca 0.15 -0.64 -0.12 0.00 0.00 0.00 0.00 61.98 61.37 1vk0 s VAL 17 Cb -0.08 -1.28 -0.06 0.00 0.00 0.00 0.00 36.38 34.96 1vk0 s VAL 17 CO 0.07 0.42 0.42 -1.10 0.00 0.00 0.00 175.10 174.92 1vk0 s GLN 18 N 0.68 3.85 0.31 2.72 -0.21 -0.35 -1.02 119.66 125.64 1vk0 s GLN 18 Ca -0.14 0.31 0.08 0.00 0.02 0.00 0.00 55.36 55.63 1vk0 s GLN 18 Cb -0.16 -3.07 -0.06 0.00 1.00 0.00 0.00 33.01 30.72 1vk0 s GLN 18 CO 0.04 0.60 -0.06 0.95 -2.12 0.00 0.00 175.29 174.69 1vk0 s THR 19 N -1.29 1.88 -0.16 -0.19 -4.23 -1.13 -1.28 115.64 109.24 1vk0 s THR 19 Ca 0.30 -2.14 -0.13 0.00 -1.18 0.00 0.00 61.69 58.54 1vk0 s THR 19 Cb -0.15 -2.58 0.05 0.00 1.34 0.00 0.00 72.50 71.16 1vk0 s THR 19 CO 0.16 -0.23 0.41 -0.75 -0.54 0.00 0.00 174.62 173.68 1vk0 s LYS 20 N -3.69 0.45 -0.09 3.99 2.47 -0.78 -1.41 119.74 120.69 1vk0 s LYS 20 Ca 0.31 0.65 0.03 0.00 -1.56 0.00 0.00 55.97 55.41 1vk0 s LYS 20 Cb 0.04 0.15 0.00 0.00 -1.46 0.00 0.00 37.83 36.56 1vk0 s LYS 20 CO 0.14 -0.09 -0.20 0.99 0.16 0.00 0.00 175.35 176.35 1vk0 s THR 21 N 0.62 1.71 -0.06 3.43 2.01 -1.26 -1.01 115.64 121.09 1vk0 s THR 21 Ca -0.03 -0.82 0.03 0.00 0.31 0.00 0.00 61.69 61.18 1vk0 s THR 21 Cb -0.05 -1.50 0.01 0.00 0.01 0.00 0.00 72.50 70.97 1vk0 s THR 21 CO -0.04 0.48 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.61 1vk0 s ILE 22 N 0.45 1.23 -0.63 1.82 1.01 -0.58 -5.00 121.20 119.50 1vk0 s ILE 22 Ca -0.17 -0.55 -0.22 0.00 0.00 0.00 0.00 60.65 59.72 1vk0 s ILE 22 Cb -0.17 -1.10 0.07 0.00 0.01 0.00 0.00 42.46 41.27 1vk0 s ILE 22 CO 0.07 0.37 0.89 -1.81 0.00 0.00 0.00 174.94 174.46 1vk0 s ASP 23 N 0.51 6.19 -0.17 3.58 1.01 -1.26 -0.91 116.67 125.61 1vk0 s ASP 23 Ca -0.12 -1.04 -0.28 0.00 0.71 0.00 0.00 52.55 51.81 1vk0 s ASP 23 Cb -0.15 -2.39 -0.00 0.00 1.01 0.00 0.00 42.92 41.39 1vk0 s ASP 23 CO 0.04 -1.32 0.98 -0.69 0.21 0.00 0.00 175.17 174.38 1vk0 s VAL 24 N 3.67 4.76 0.00 -1.27 1.01 0.09 -4.96 120.40 123.70 1vk0 s VAL 24 Ca 0.20 1.94 0.00 0.00 0.00 0.00 0.00 61.98 64.12 1vk0 s VAL 24 Cb -0.18 -4.27 0.00 0.00 0.00 0.00 0.00 36.38 31.92 1vk0 s VAL 24 CO 0.10 -0.07 0.00 0.61 0.00 0.00 0.00 175.10 175.74 1vk0 n GLY 25 N 3.28 1.88 0.02 4.51 0.00 -1.26 -3.71 105.19 109.92 1vk0 n GLY 25 Ca 0.09 -1.87 0.14 0.00 0.00 0.00 0.00 46.02 44.38 1vk0 n GLY 25 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vk0 n SER 26 N 0.00 0.17 0.00 1.61 3.41 -1.26 -4.37 113.62 113.19 1vk0 n SER 26 Ca 0.00 0.52 0.00 0.00 -0.26 0.00 0.00 58.87 59.13 1vk0 n SER 26 Cb 0.00 -0.56 0.00 0.00 -0.26 0.00 0.00 64.21 63.39 1vk0 n SER 26 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1vk0 n SER 27 N -1.66 2.99 -4.71 4.04 3.41 -1.26 -4.56 113.62 111.86 1vk0 n SER 27 Ca 0.07 -0.06 -0.43 0.00 -0.26 0.00 0.00 58.87 58.19 1vk0 n SER 27 Cb 0.36 0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 65.00 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 -1.02 0.23 -2.96 6.66 -1.04 -1.26 -4.97 114.28 109.92 1vk0 n THR 28 Ca 0.00 -0.06 -0.43 0.00 -2.04 0.00 0.00 64.05 61.52 1vk0 n THR 28 Cb 0.00 -1.88 -0.05 0.00 -1.82 0.00 0.00 70.33 66.57 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 0.96 6.44 0.00 8.00 3.68 -1.26 -4.86 116.67 129.63 1vk0 s ASP 29 Ca 0.73 -0.03 0.24 0.00 2.13 0.00 0.00 52.55 55.62 1vk0 s ASP 29 Cb -0.54 -2.39 0.21 0.00 -1.45 0.00 0.00 42.92 38.76 1vk0 s ASP 29 CO 0.37 -0.89 1.23 2.30 0.13 0.00 0.00 175.17 178.32 1vk0 n ILE 30 N 6.09 0.00 -0.21 4.11 -5.35 -1.26 -4.52 119.36 118.22 1vk0 n ILE 30 Ca 0.02 -0.26 0.02 0.00 -0.27 0.00 0.00 62.75 62.26 1vk0 n ILE 30 Cb 0.48 1.08 0.27 0.00 -1.74 0.00 0.00 39.64 39.74 1vk0 n ILE 30 CO 0.00 0.00 0.00 -1.28 -1.76 0.00 0.00 176.55 173.51 1vk0 h SER 31 N 2.48 0.81 0.26 7.28 0.87 -1.93 -0.86 113.55 122.46 1vk0 h SER 31 Ca 0.00 -0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.52 1vk0 h SER 31 Cb 0.73 -0.19 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1vk0 h SER 31 CO 0.00 0.57 -0.10 -0.65 -0.53 0.00 0.00 176.83 176.12 1vk0 h PRO 32 N 0.95 0.00 0.20 2.24 0.11 -2.00 -1.09 132.00 132.41 1vk0 h PRO 32 Ca 0.28 0.00 -0.27 0.00 0.11 0.00 0.00 66.00 66.12 1vk0 h PRO 32 Cb -0.02 0.00 0.03 0.00 0.11 0.00 0.00 31.00 31.12 1vk0 h PRO 32 CO -0.07 0.10 -1.21 1.88 -0.21 0.00 0.00 178.00 178.48 1vk0 h TYR 33 N 0.00 0.79 -0.89 0.65 0.05 -1.51 -2.68 116.97 113.38 1vk0 h TYR 33 Ca -0.00 -0.58 0.09 0.00 0.05 0.00 0.00 58.73 58.29 1vk0 h TYR 33 Cb 0.26 -0.03 -0.07 0.00 1.01 0.00 0.00 36.73 37.89 1vk0 h TYR 33 CO 0.00 1.47 0.54 -0.07 -1.05 0.00 0.00 178.16 179.04 1vk0 h LEU 34 N -0.08 0.80 -0.94 3.88 3.38 -1.03 -0.51 115.31 120.81 1vk0 h LEU 34 Ca -0.21 0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 1vk0 h LEU 34 Cb 1.94 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.56 1vk0 h LEU 34 CO 0.22 0.47 -0.29 0.28 0.09 0.00 0.00 178.44 179.21 1vk0 h SER 35 N 0.91 0.43 -0.37 -0.43 0.02 -1.24 -0.30 113.55 112.58 1vk0 h SER 35 Ca 0.42 -0.15 -0.14 0.00 -0.84 0.00 0.00 61.79 61.07 1vk0 h SER 35 Cb 0.32 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.74 1vk0 h SER 35 CO -0.23 0.71 -0.31 -0.07 -1.14 0.00 0.00 176.83 175.80 1vk0 h LEU 36 N 0.37 0.92 -0.37 5.07 3.38 -1.08 0.18 115.31 123.79 1vk0 h LEU 36 Ca 0.05 -0.45 0.01 0.00 0.09 0.00 0.00 57.88 57.58 1vk0 h LEU 36 Cb 0.71 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1vk0 h LEU 36 CO 0.05 1.18 0.24 0.40 0.09 0.00 0.00 178.44 180.40 1vk0 h ILE 37 N 0.67 1.09 -0.47 1.22 1.08 -0.64 -1.31 117.51 119.15 1vk0 h ILE 37 Ca 0.07 -0.17 -0.09 0.00 -0.39 0.00 0.00 64.86 64.28 1vk0 h ILE 37 Cb 0.90 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 35.19 1vk0 h ILE 37 CO 0.08 0.09 -0.07 -0.09 -0.69 0.00 0.00 178.15 177.47 1vk0 h ARG 38 N 0.49 0.87 -0.26 2.37 2.43 -0.90 -0.81 114.38 118.58 1vk0 h ARG 38 Ca 0.14 -0.31 0.03 0.00 -0.81 0.00 0.00 59.98 59.02 1vk0 h ARG 38 Cb -0.05 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.41 1vk0 h ARG 38 CO -0.03 0.95 0.08 1.49 -1.51 0.00 0.00 179.97 180.95 1vk0 h GLU 39 N 0.72 0.19 -0.74 0.20 4.81 -0.53 -0.95 114.58 118.27 1vk0 h GLU 39 Ca 0.12 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 1vk0 h GLU 39 Cb 0.60 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.90 1vk0 h GLU 39 CO 0.04 0.13 0.41 0.22 -0.73 0.00 0.00 179.01 179.08 1vk0 h ASP 40 N 0.20 0.91 -0.55 1.04 -0.00 -1.00 -0.10 116.42 116.93 1vk0 h ASP 40 Ca 0.11 -0.09 0.01 0.00 -0.00 0.00 0.00 57.03 57.07 1vk0 h ASP 40 Cb 0.08 -0.23 -0.03 0.00 -0.00 0.00 0.00 39.33 39.15 1vk0 h ASP 40 CO -0.12 0.74 0.35 -1.28 -0.00 0.00 0.00 179.24 178.93 1vk0 h SER 41 N 1.02 0.59 -0.22 2.28 0.87 -0.91 0.11 113.55 117.29 1vk0 h SER 41 Ca 0.26 -0.01 -0.16 0.00 -1.23 0.00 0.00 61.79 60.65 1vk0 h SER 41 Cb 0.02 -0.14 0.00 0.00 -0.44 0.00 0.00 62.40 61.85 1vk0 h SER 41 CO -0.04 0.42 -0.50 0.40 -0.53 0.00 0.00 176.83 176.57 1vk0 h ILE 42 N 0.70 1.30 0.18 2.23 2.04 -0.82 -0.40 117.51 122.74 1vk0 h ILE 42 Ca 0.21 -1.72 -0.32 0.00 1.00 0.00 0.00 64.86 64.03 1vk0 h ILE 42 Cb -0.04 1.82 0.01 0.00 -0.74 0.00 0.00 36.82 37.87 1vk0 h ILE 42 CO -0.07 0.54 -1.55 -0.07 0.00 0.00 0.00 178.15 177.01 1vk0 h LEU 43 N 0.45 0.58 0.00 1.44 3.38 -0.93 -3.42 115.31 116.81 1vk0 h LEU 43 Ca -0.00 -0.74 0.00 0.00 0.09 0.00 0.00 57.88 57.23 1vk0 h LEU 43 Cb 1.12 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.68 1vk0 h LEU 43 CO 0.11 1.60 -0.03 0.59 0.09 0.00 0.00 178.44 180.81 1vk0 n ASN 44 N -3.57 0.13 -1.33 -0.43 3.02 0.34 -4.87 115.26 108.55 1vk0 n ASN 44 Ca -0.18 -0.35 0.02 0.00 -0.03 0.00 0.00 54.58 54.04 1vk0 n ASN 44 Cb 1.07 0.73 0.10 0.00 -0.61 0.00 0.00 39.78 41.06 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 0.77 3.09 3.47 7.41 0.00 -0.69 -4.82 105.19 114.42 1vk0 n GLY 45 Ca 0.00 -1.19 -0.25 0.00 0.00 0.00 0.00 46.02 44.58 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 -0.32 -3.76 -1.69 1.61 4.13 -0.97 -2.56 115.26 111.71 1vk0 n ASN 46 Ca 0.14 -0.47 -0.15 0.00 1.68 0.00 0.00 54.58 55.78 1vk0 n ASN 46 Cb 0.93 -3.10 -0.01 0.00 -1.54 0.00 0.00 39.78 36.05 1vk0 n ASN 46 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1vk0 n ARG 47 N -3.84 -1.21 -4.68 3.52 1.74 -0.25 -4.95 116.66 106.99 1vk0 n ARG 47 Ca -0.00 0.78 -0.33 0.00 -0.77 0.00 0.00 57.85 57.52 1vk0 n ARG 47 Cb 0.54 -5.11 -0.12 0.00 -1.02 0.00 0.00 32.46 26.74 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 -2.75 2.85 -0.20 7.54 0.00 -1.06 -0.45 121.76 127.69 1vk0 s ALA 48 Ca 0.00 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.08 1vk0 s ALA 48 Cb 0.00 -1.22 0.04 0.00 0.00 0.00 0.00 23.12 21.94 1vk0 s ALA 48 CO 0.00 0.46 -0.15 0.08 0.00 0.00 0.00 175.76 176.15 1vk0 s VAL 49 N -0.41 1.97 0.11 0.00 1.01 -0.20 -4.75 120.40 118.13 1vk0 s VAL 49 Ca 0.06 -1.13 -0.24 0.00 0.00 0.00 0.00 61.98 60.67 1vk0 s VAL 49 Cb -0.12 -1.92 -0.07 0.00 0.00 0.00 0.00 36.38 34.27 1vk0 s VAL 49 CO 0.02 0.30 0.72 -0.63 0.00 0.00 0.00 175.10 175.51 1vk0 s ILE 50 N 1.27 4.56 0.12 2.22 1.09 0.38 -0.80 121.20 130.04 1vk0 s ILE 50 Ca -0.00 1.56 -0.02 0.00 -1.10 0.00 0.00 60.65 61.09 1vk0 s ILE 50 Cb -0.16 -4.07 -0.04 0.00 -1.06 0.00 0.00 42.46 37.14 1vk0 s ILE 50 CO -0.10 0.49 0.07 0.72 -0.10 0.00 0.00 174.94 176.02 1vk0 s PHE 51 N -0.83 0.75 0.09 3.97 -0.12 -0.38 0.07 117.98 121.53 1vk0 s PHE 51 Ca 0.35 -1.15 -0.13 0.00 -0.05 0.00 0.00 56.93 55.95 1vk0 s PHE 51 Cb -0.21 -0.41 0.02 0.00 -0.63 0.00 0.00 43.02 41.78 1vk0 s PHE 51 CO 0.23 -0.52 0.31 0.34 -0.05 0.00 0.00 175.22 175.53 1vk0 s ASP 52 N -3.02 -0.09 0.04 1.98 3.68 -0.78 -4.41 116.67 114.08 1vk0 s ASP 52 Ca 0.21 -0.40 0.01 0.00 2.13 0.00 0.00 52.55 54.50 1vk0 s ASP 52 Cb 0.07 0.40 -0.03 0.00 -1.45 0.00 0.00 42.92 41.92 1vk0 s ASP 52 CO -0.00 -0.76 -0.06 0.68 0.13 0.00 0.00 175.17 175.16 1vk0 s VAL 53 N -3.54 0.41 -0.02 1.11 -7.23 -1.26 -0.86 120.40 109.01 1vk0 s VAL 53 Ca 0.02 -1.20 0.03 0.00 -1.81 0.00 0.00 61.98 59.02 1vk0 s VAL 53 Cb 0.02 -0.72 -0.00 0.00 0.56 0.00 0.00 36.38 36.24 1vk0 s VAL 53 CO -0.10 -0.53 -0.11 -0.31 -0.31 0.00 0.00 175.10 173.75 1vk0 s TYR 54 N -1.90 1.05 0.06 2.82 1.51 -0.49 -5.00 117.35 115.41 1vk0 s TYR 54 Ca -0.08 -0.25 0.07 0.00 -1.01 0.00 0.00 57.07 55.80 1vk0 s TYR 54 Cb -0.07 -0.72 -0.03 0.00 -0.11 0.00 0.00 41.96 41.03 1vk0 s TYR 54 CO -0.02 -0.08 -0.14 -1.58 -1.11 0.00 0.00 175.55 172.62 1vk0 s TRP 55 N 0.03 2.66 -0.25 2.71 0.52 -1.26 -0.65 118.94 122.69 1vk0 s TRP 55 Ca -0.01 -0.20 -0.17 0.00 0.02 0.00 0.00 56.10 55.74 1vk0 s TRP 55 Cb -0.08 -1.47 -0.03 0.00 -1.15 0.00 0.00 33.47 30.75 1vk0 s TRP 55 CO 0.00 0.33 0.48 0.34 0.02 0.00 0.00 176.95 178.13 1vk0 s ASP 56 N -1.68 6.41 0.55 2.95 2.15 0.16 -4.84 116.67 122.38 1vk0 s ASP 56 Ca 0.17 0.49 -0.15 0.00 0.43 0.00 0.00 52.55 53.49 1vk0 s ASP 56 Cb -0.11 -2.27 -0.06 0.00 -0.30 0.00 0.00 42.92 40.18 1vk0 s ASP 56 CO 0.08 -0.25 1.00 -0.69 -0.17 0.00 0.00 175.17 175.14 1vk0 s VAL 57 N 2.16 4.52 0.00 1.11 1.01 -1.26 -0.09 120.40 127.86 1vk0 s VAL 57 Ca 0.20 1.10 0.04 0.00 0.00 0.00 0.00 61.98 63.31 1vk0 s VAL 57 Cb -0.16 -3.73 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 1vk0 s VAL 57 CO 0.09 -0.80 -0.12 -0.83 0.00 0.00 0.00 175.10 173.45 1vk0 s GLY 58 N -3.35 0.59 -0.71 4.51 0.00 -1.25 -4.82 107.32 102.29 1vk0 s GLY 58 Ca 0.58 -0.56 0.04 0.00 0.00 0.00 0.00 44.72 44.78 1vk0 s GLY 58 CO 0.38 -0.50 0.86 0.69 0.00 0.00 0.00 173.10 174.53 1vk0 n PHE 59 N 2.55 3.44 0.00 1.90 0.99 -1.26 -4.66 117.46 120.42 1vk0 n PHE 59 Ca -0.15 -3.91 0.00 0.00 -0.00 0.00 0.00 57.45 53.39 1vk0 n PHE 59 Cb 0.56 -0.67 0.00 0.00 -1.00 0.00 0.00 39.48 38.37 1vk0 n PHE 59 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 1vk0 n THR 66 N 0.93 0.00 0.24 4.37 -2.24 -1.26 -5.09 114.28 111.23 1vk0 n THR 66 Ca 0.29 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 62.17 1vk0 n THR 66 Cb 0.40 0.00 0.62 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 6.56 -2.05 -1.64 116.57 118.65 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 0.17 -0.09 0.25 -2.06 0.00 0.00 179.45 177.72 1vk0 n THR 68 N -3.78 0.00 0.37 -0.16 -2.24 -1.26 -4.22 114.28 103.00 1vk0 n THR 68 Ca -0.02 -0.14 0.12 0.00 -2.27 0.00 0.00 64.05 61.74 1vk0 n THR 68 Cb 0.28 0.20 0.51 0.00 -2.10 0.00 0.00 70.33 69.21 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 -0.45 0.68 0.00 3.42 3.41 -0.62 -1.91 113.62 118.15 1vk0 n SER 69 Ca 0.17 0.68 0.13 0.00 -0.26 0.00 0.00 58.87 59.58 1vk0 n SER 69 Cb 0.30 -0.82 0.37 0.00 -0.26 0.00 0.00 64.21 63.80 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 -0.12 -1.34 3.77 5.00 0.00 -1.26 -4.87 105.19 106.38 1vk0 n GLY 70 Ca 0.02 -0.27 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 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 -3.00 2.81 -0.03 1.61 0.52 -0.80 -3.86 118.94 116.19 1vk0 s TRP 71 Ca 0.12 1.25 0.01 0.00 0.02 0.00 0.00 56.10 57.50 1vk0 s TRP 71 Cb 0.18 -3.87 0.01 0.00 -1.15 0.00 0.00 33.47 28.64 1vk0 s TRP 71 CO 0.65 -2.52 -0.05 0.45 0.02 0.00 0.00 176.95 175.49 1vk0 s SER 72 N -0.23 0.85 0.02 2.95 0.15 0.88 -4.94 113.70 113.36 1vk0 s SER 72 Ca 0.52 -0.12 -0.30 0.00 0.70 0.00 0.00 55.95 56.75 1vk0 s SER 72 Cb -0.43 -0.30 -0.07 0.00 -1.71 0.00 0.00 66.02 63.51 1vk0 s SER 72 CO 0.57 0.00 1.67 -0.22 1.20 0.00 0.00 173.24 176.46 1vk0 s LEU 73 N 0.48 4.35 -0.00 3.45 2.96 -1.26 0.38 118.68 129.03 1vk0 s LEU 73 Ca -0.06 2.39 0.02 0.00 -0.22 0.00 0.00 54.13 56.25 1vk0 s LEU 73 Cb -0.10 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.02 1vk0 s LEU 73 CO 0.00 -0.91 0.03 -1.54 -1.32 0.00 0.00 176.35 172.61 1vk0 n SER 74 N 6.36 4.61 -3.80 3.68 3.41 0.18 -4.72 113.62 123.33 1vk0 n SER 74 Ca 0.17 0.00 -0.11 0.00 -0.26 0.00 0.00 58.87 58.66 1vk0 n SER 74 Cb 0.42 0.97 -0.08 0.00 -0.26 0.00 0.00 64.21 65.26 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 -2.39 -0.06 -0.02 4.04 0.01 -1.03 -0.18 113.70 114.05 1vk0 s SER 75 Ca -0.01 -0.22 0.02 0.00 1.31 0.00 0.00 55.95 57.05 1vk0 s SER 75 Cb 0.01 0.32 0.01 0.00 0.21 0.00 0.00 66.02 66.56 1vk0 s SER 75 CO 0.07 -0.56 -0.06 -0.69 0.41 0.00 0.00 173.24 172.42 1vk0 s VAL 76 N -2.32 0.53 -0.08 3.43 1.01 -0.14 -1.40 120.40 121.43 1vk0 s VAL 76 Ca -0.07 -0.21 0.02 0.00 0.00 0.00 0.00 61.98 61.73 1vk0 s VAL 76 Cb -0.02 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 1vk0 s VAL 76 CO -0.02 0.19 -0.15 -0.75 0.00 0.00 0.00 175.10 174.37 1vk0 s LYS 77 N 0.35 2.86 -0.12 2.72 2.20 -0.04 -0.61 119.74 127.10 1vk0 s LYS 77 Ca -0.04 -0.71 -0.00 0.00 -0.36 0.00 0.00 55.97 54.85 1vk0 s LYS 77 Cb -0.08 -2.46 0.02 0.00 -1.51 0.00 0.00 37.83 33.80 1vk0 s LYS 77 CO -0.00 0.44 -0.09 -0.51 -0.36 0.00 0.00 175.35 174.82 1vk0 s LEU 78 N -0.25 1.34 0.06 5.43 1.43 0.04 -1.86 118.68 124.87 1vk0 s LEU 78 Ca 0.01 -0.36 0.09 0.00 -1.03 0.00 0.00 54.13 52.83 1vk0 s LEU 78 Cb -0.13 -0.94 -0.03 0.00 0.03 0.00 0.00 46.19 45.12 1vk0 s LEU 78 CO 0.03 -0.10 -0.24 -0.44 0.23 0.00 0.00 176.35 175.82 1vk0 s SER 79 N 1.64 2.93 0.39 2.29 0.01 0.11 -0.11 113.70 120.97 1vk0 s SER 79 Ca 0.05 -0.59 0.05 0.00 1.31 0.00 0.00 55.95 56.77 1vk0 s SER 79 Cb -0.13 -0.25 -0.02 0.00 0.21 0.00 0.00 66.02 65.83 1vk0 s SER 79 CO -0.09 0.21 0.17 0.42 0.41 0.00 0.00 173.24 174.36 1vk0 s THR 80 N -0.84 0.41 0.02 1.44 -4.23 0.31 -0.47 115.64 112.28 1vk0 s THR 80 Ca 0.10 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 58.57 1vk0 s THR 80 Cb -0.10 -2.36 -0.01 0.00 1.34 0.00 0.00 72.50 71.37 1vk0 s THR 80 CO 0.02 0.00 0.35 -1.14 -0.54 0.00 0.00 174.62 173.31 1vk0 n ARG 81 N -0.85 -0.07 -0.00 3.99 3.00 -1.26 -2.67 116.66 118.80 1vk0 n ARG 81 Ca -0.03 0.34 0.08 0.00 -0.00 0.00 0.00 57.85 58.24 1vk0 n ARG 81 Cb 0.64 -0.51 -0.10 0.00 0.00 0.00 0.00 32.46 32.50 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 -3.45 0.81 -4.22 6.15 3.02 -1.26 -4.90 115.26 111.41 1vk0 n ASN 82 Ca 0.00 -0.82 -0.15 0.00 -0.03 0.00 0.00 54.58 53.58 1vk0 n ASN 82 Cb 0.04 1.06 -0.11 0.00 -0.61 0.00 0.00 39.78 40.16 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 -2.89 2.44 -0.13 3.41 1.43 -1.09 -1.22 118.68 120.63 1vk0 s LEU 83 Ca 0.05 -0.87 -0.03 0.00 -1.03 0.00 0.00 54.13 52.24 1vk0 s LEU 83 Cb 0.12 -0.39 0.05 0.00 0.03 0.00 0.00 46.19 46.01 1vk0 s LEU 83 CO 0.68 -0.25 0.06 0.00 0.23 0.00 0.00 176.35 177.07 1vk0 s LEU 85 N 2.07 3.72 -0.17 0.00 2.96 0.85 -1.88 118.68 126.24 1vk0 s LEU 85 Ca 0.02 0.11 0.00 0.00 -0.22 0.00 0.00 54.13 54.05 1vk0 s LEU 85 Cb -0.15 -1.91 0.03 0.00 0.50 0.00 0.00 46.19 44.67 1vk0 s LEU 85 CO -0.07 0.26 -0.11 0.12 -1.32 0.00 0.00 176.35 175.22 1vk0 s PHE 86 N -0.13 2.19 -0.21 5.38 2.19 -0.18 -0.78 117.98 126.45 1vk0 s PHE 86 Ca 0.06 -1.33 -0.06 0.00 0.33 0.00 0.00 56.93 55.93 1vk0 s PHE 86 Cb -0.12 -1.57 -0.03 0.00 -1.31 0.00 0.00 43.02 39.99 1vk0 s PHE 86 CO 0.02 -0.69 0.02 -0.51 1.83 0.00 0.00 175.22 175.89 1vk0 s LEU 87 N 1.47 3.31 -0.25 6.12 1.43 0.22 -1.53 118.68 129.45 1vk0 s LEU 87 Ca 0.02 -0.20 -0.10 0.00 -1.03 0.00 0.00 54.13 52.83 1vk0 s LEU 87 Cb -0.14 -1.85 -0.05 0.00 0.03 0.00 0.00 46.19 44.18 1vk0 s LEU 87 CO -0.09 0.04 0.14 -0.13 0.23 0.00 0.00 176.35 176.54 1vk0 s ARG 88 N 1.14 3.95 0.17 1.70 0.52 -0.08 -0.97 118.95 125.37 1vk0 s ARG 88 Ca 0.03 -0.33 0.05 0.00 -0.52 0.00 0.00 55.73 54.96 1vk0 s ARG 88 Cb -0.14 -3.51 -0.04 0.00 0.52 0.00 0.00 34.95 31.78 1vk0 s ARG 88 CO 0.02 -0.04 0.13 -0.51 0.02 0.00 0.00 175.30 174.92 1vk0 s LEU 89 N 1.30 3.77 0.73 2.53 1.43 0.75 -0.73 118.68 128.46 1vk0 s LEU 89 Ca 0.07 -0.15 -0.06 0.00 -1.03 0.00 0.00 54.13 52.95 1vk0 s LEU 89 Cb -0.14 -2.38 0.09 0.00 0.03 0.00 0.00 46.19 43.78 1vk0 s LEU 89 CO 0.06 0.07 1.04 -2.16 0.23 0.00 0.00 176.35 175.59 1vk0 s PRO 90 N -3.09 1.93 -0.09 1.29 0.04 -1.24 -4.76 135.00 129.08 1vk0 s PRO 90 Ca 0.31 -0.45 -0.00 0.00 0.04 0.00 0.00 61.00 60.90 1vk0 s PRO 90 Cb -0.10 -2.17 0.02 0.00 0.04 0.00 0.00 34.50 32.29 1vk0 s PRO 90 CO 0.23 -1.39 -0.05 0.21 0.04 0.00 0.00 177.00 176.04 1vk0 s LYS 91 N -5.28 1.14 0.85 4.56 2.20 -1.26 -4.01 119.74 117.93 1vk0 s LYS 91 Ca 0.63 -0.13 -0.12 0.00 -0.36 0.00 0.00 55.97 55.99 1vk0 s LYS 91 Cb -0.09 -1.26 0.13 0.00 -1.51 0.00 0.00 37.83 35.10 1vk0 s LYS 91 CO 0.45 -0.23 1.20 -1.25 -0.36 0.00 0.00 175.35 175.17 1vk0 s PRO 92 N 1.59 1.41 0.56 4.03 0.04 -1.26 -5.13 135.00 136.25 1vk0 s PRO 92 Ca 0.01 -0.27 -0.20 0.00 0.04 0.00 0.00 61.00 60.58 1vk0 s PRO 92 Cb -0.13 -1.97 -0.05 0.00 0.04 0.00 0.00 34.50 32.39 1vk0 s PRO 92 CO -0.05 -1.88 1.22 -0.06 0.04 0.00 0.00 177.00 176.27 1vk0 s PHE 93 N -3.62 2.47 0.27 0.56 2.99 -1.26 -5.03 117.98 114.36 1vk0 s PHE 93 Ca 0.67 1.50 0.02 0.00 0.00 0.00 0.00 56.93 59.12 1vk0 s PHE 93 Cb -0.07 -3.51 0.02 0.00 0.00 0.00 0.00 43.02 39.46 1vk0 s PHE 93 CO 0.50 -2.17 0.18 0.72 -0.00 0.00 0.00 175.22 174.44 1vk0 n HIS 94 N -1.29 -0.86 0.33 0.36 8.25 -1.26 -5.02 115.22 115.72 1vk0 n HIS 94 Ca 0.12 -1.16 0.12 0.00 -0.26 0.00 0.00 57.72 56.54 1vk0 n HIS 94 Cb 0.49 -0.21 0.55 0.00 1.12 0.00 0.00 29.99 31.94 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 0.36 0.00 0.89 0.41 3.45 -1.96 -1.32 116.42 118.26 1vk0 h ASP 95 Ca -0.18 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.28 1vk0 h ASP 95 Cb 0.63 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.40 1vk0 h ASP 95 CO 0.28 0.00 0.00 -0.55 -1.57 0.00 0.00 179.24 177.40 1vk0 h ASN 96 N 0.00 0.00 0.69 6.45 -0.00 -1.89 -1.12 115.58 119.71 1vk0 h ASN 96 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.30 1vk0 h ASN 96 Cb 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 38.59 1vk0 h ASN 96 CO 0.00 0.00 -0.04 0.18 -0.00 0.00 0.00 177.43 177.57 1vk0 n LEU 97 N -2.46 0.08 0.00 6.14 4.77 -0.50 -3.42 117.00 121.61 1vk0 n LEU 97 Ca 0.02 0.31 0.16 0.00 -0.03 0.00 0.00 56.01 56.47 1vk0 n LEU 97 Cb 0.27 -0.34 0.62 0.00 -2.33 0.00 0.00 43.42 41.64 1vk0 n LEU 97 CO 0.23 0.02 1.17 0.11 -1.33 0.00 0.00 177.39 177.58 1vk0 h LYS 98 N 0.07 0.13 -0.18 3.23 1.57 -1.41 0.11 116.57 120.09 1vk0 h LYS 98 Ca 0.00 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1vk0 h LYS 98 Cb 0.38 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.64 1vk0 h LYS 98 CO 0.00 0.09 -0.08 -0.44 -0.57 0.00 0.00 179.45 178.45 1vk0 h ASP 99 N 0.14 0.25 0.46 0.86 3.32 -1.79 -1.07 116.42 118.59 1vk0 h ASP 99 Ca 0.23 -0.04 -0.22 0.00 0.02 0.00 0.00 57.03 57.02 1vk0 h ASP 99 Cb 0.74 -0.07 -0.00 0.00 0.22 0.00 0.00 39.33 40.22 1vk0 h ASP 99 CO -0.03 0.37 -0.94 0.25 -1.72 0.00 0.00 179.24 177.17 1vk0 h LEU 100 N 0.26 0.41 -0.24 1.55 5.85 -1.02 -1.49 115.31 120.63 1vk0 h LEU 100 Ca 0.06 -0.34 -0.02 0.00 0.84 0.00 0.00 57.88 58.43 1vk0 h LEU 100 Cb 0.31 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1vk0 h LEU 100 CO 0.01 1.15 0.09 1.88 -0.34 0.00 0.00 178.44 181.23 1vk0 h TYR 101 N 0.17 0.37 -0.46 1.25 -1.99 -1.05 -0.15 116.97 115.10 1vk0 h TYR 101 Ca -0.07 -0.03 0.07 0.00 2.00 0.00 0.00 58.73 60.70 1vk0 h TYR 101 Cb 1.58 -0.11 -0.06 0.00 2.00 0.00 0.00 36.73 40.14 1vk0 h TYR 101 CO 0.05 0.40 0.13 0.00 -0.00 0.00 0.00 178.16 178.74 1vk0 h ARG 102 N 0.23 0.28 -0.40 4.88 3.08 -1.21 -2.54 114.38 118.70 1vk0 h ARG 102 Ca 0.08 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.11 1vk0 h ARG 102 Cb 0.19 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.16 1vk0 h ARG 102 CO -0.01 0.18 0.26 0.35 -1.07 0.00 0.00 179.97 179.69 1vk0 h PHE 103 N 0.29 0.52 0.00 3.04 3.57 -1.03 -2.06 116.94 121.26 1vk0 h PHE 103 Ca 0.22 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.73 1vk0 h PHE 103 Cb 0.26 -0.17 0.00 0.00 2.79 0.00 0.00 35.95 38.82 1vk0 h PHE 103 CO -0.18 0.35 0.00 1.19 -2.23 0.00 0.00 178.31 177.44 1vk0 n PHE 104 N -4.79 0.46 1.41 0.41 0.99 -0.09 -2.14 117.46 113.72 1vk0 n PHE 104 Ca 0.01 0.18 0.13 0.00 -0.00 0.00 0.00 57.45 57.76 1vk0 n PHE 104 Cb 0.04 -0.79 0.47 0.00 -1.00 0.00 0.00 39.48 38.21 1vk0 n PHE 104 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1vk0 n ALA 105 N -1.65 2.56 -1.77 4.37 0.00 -0.78 -3.54 120.51 119.69 1vk0 n ALA 105 Ca 0.03 -0.48 -0.40 0.00 0.00 0.00 0.00 53.44 52.59 1vk0 n ALA 105 Cb 0.22 -1.13 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 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 -1.92 6.76 -0.07 0.00 0.15 -0.91 -4.56 113.70 113.15 1vk0 s SER 106 Ca 0.37 2.58 0.19 0.00 0.70 0.00 0.00 55.95 59.78 1vk0 s SER 106 Cb 0.20 -2.64 0.63 0.00 -1.71 0.00 0.00 66.02 62.50 1vk0 s SER 106 CO 0.32 -0.53 1.54 0.29 1.20 0.00 0.00 173.24 176.06 1vk0 n LYS 107 N 0.68 3.26 0.09 5.44 5.02 -1.26 -4.28 118.16 127.12 1vk0 n LYS 107 Ca 0.01 -2.70 -0.05 0.00 -2.02 0.00 0.00 58.31 53.54 1vk0 n LYS 107 Cb 0.43 -1.70 0.01 0.00 -0.02 0.00 0.00 35.03 33.75 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 3.73 0.07 -3.20 2.13 -1.00 -1.96 -3.46 116.94 113.25 1vk0 h PHE 108 Ca 0.00 -0.04 -0.43 0.00 2.81 0.00 0.00 57.97 60.31 1vk0 h PHE 108 Cb 1.21 -0.01 -0.14 0.00 3.61 0.00 0.00 35.95 40.62 1vk0 h PHE 108 CO 0.59 0.86 -0.61 0.14 -1.61 0.00 0.00 178.31 177.68 1vk0 s VAL 109 N -3.14 0.95 -0.18 -0.55 -7.23 -1.26 -4.88 120.40 104.11 1vk0 s VAL 109 Ca -0.01 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.10 1vk0 s VAL 109 Cb 0.11 -2.74 -0.03 0.00 0.56 0.00 0.00 36.38 34.28 1vk0 s VAL 109 CO 0.80 0.00 0.02 -0.89 -0.31 0.00 0.00 175.10 174.72 1vk0 s THR 110 N -3.47 4.34 -0.54 5.32 2.01 0.40 -4.83 115.64 118.87 1vk0 s THR 110 Ca 0.37 -0.19 -0.24 0.00 0.31 0.00 0.00 61.69 61.94 1vk0 s THR 110 Cb 0.08 -2.94 0.04 0.00 0.01 0.00 0.00 72.50 69.69 1vk0 s THR 110 CO 0.15 0.46 0.94 -0.36 -0.69 0.00 0.00 174.62 175.11 1vk0 s PHE 111 N 0.52 2.81 -0.21 4.92 0.08 0.28 -1.04 117.98 125.35 1vk0 s PHE 111 Ca 0.00 0.03 -0.13 0.00 0.12 0.00 0.00 56.93 56.96 1vk0 s PHE 111 Cb -0.13 -4.05 -0.05 0.00 -0.57 0.00 0.00 43.02 38.22 1vk0 s PHE 111 CO 0.02 -1.31 0.26 0.08 -0.10 0.00 0.00 175.22 174.16 1vk0 s VAL 112 N 3.91 5.30 0.17 -0.44 1.01 0.02 -1.12 120.40 129.25 1vk0 s VAL 112 Ca 0.31 0.41 0.01 0.00 0.00 0.00 0.00 61.98 62.72 1vk0 s VAL 112 Cb -0.12 -3.59 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 1vk0 s VAL 112 CO 0.20 0.33 0.01 -0.83 0.00 0.00 0.00 175.10 174.81 1vk0 s GLY 113 N 0.90 1.18 -0.10 4.51 0.00 -0.60 -1.25 107.32 111.96 1vk0 s GLY 113 Ca 0.13 -1.57 0.03 0.00 0.00 0.00 0.00 44.72 43.30 1vk0 s GLY 113 CO 0.05 -1.51 -0.20 0.14 0.00 0.00 0.00 173.10 171.58 1vk0 s VAL 114 N -3.71 2.41 -1.11 1.40 1.01 -1.26 -1.44 120.40 117.70 1vk0 s VAL 114 Ca 0.24 -0.90 -0.24 0.00 0.00 0.00 0.00 61.98 61.08 1vk0 s VAL 114 Cb 0.06 -1.95 0.02 0.00 0.00 0.00 0.00 36.38 34.51 1vk0 s VAL 114 CO 0.03 0.55 0.71 0.00 0.00 0.00 0.00 175.10 176.39 1vk0 n GLN 115 N 3.43 -0.79 -0.26 2.72 1.13 -1.26 -4.91 117.38 117.43 1vk0 n GLN 115 Ca -0.18 0.36 0.06 0.00 -1.94 0.00 0.00 57.00 55.30 1vk0 n GLN 115 Cb 0.53 -3.10 0.18 0.00 0.11 0.00 0.00 30.24 27.96 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 -4.26 1.45 0.12 5.09 -5.35 -1.26 -4.70 119.36 110.44 1vk0 n ILE 116 Ca -0.13 -1.31 -0.13 0.00 -0.27 0.00 0.00 62.75 60.90 1vk0 n ILE 116 Cb 0.59 0.23 -0.08 0.00 -1.74 0.00 0.00 39.64 38.64 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 1.86 -0.26 -0.68 6.28 4.81 -1.99 -0.93 114.58 123.66 1vk0 h GLU 117 Ca 0.00 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1vk0 h GLU 117 Cb 0.97 0.06 -0.03 0.00 0.63 0.00 0.00 28.75 30.38 1vk0 h GLU 117 CO 0.08 -0.03 0.33 0.93 -0.73 0.00 0.00 179.01 179.59 1vk0 h GLU 118 N -0.47 0.97 -0.72 1.92 4.39 -2.00 -2.91 114.58 115.77 1vk0 h GLU 118 Ca -0.03 -0.14 0.15 0.00 0.34 0.00 0.00 59.36 59.68 1vk0 h GLU 118 Cb 0.36 -0.18 -0.10 0.00 -0.10 0.00 0.00 28.75 28.73 1vk0 h GLU 118 CO 0.05 0.77 0.21 -0.44 -1.16 0.00 0.00 179.01 178.43 1vk0 h ASP 119 N 0.94 0.10 -0.56 1.42 3.32 -1.81 0.19 116.42 120.03 1vk0 h ASP 119 Ca 0.23 0.13 -0.05 0.00 0.02 0.00 0.00 57.03 57.36 1vk0 h ASP 119 Cb 0.11 0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.78 1vk0 h ASP 119 CO -0.03 0.02 0.15 -0.07 -1.72 0.00 0.00 179.24 177.59 1vk0 h LEU 120 N 0.33 0.84 -0.64 1.55 3.38 -0.98 0.20 115.31 119.98 1vk0 h LEU 120 Ca 0.40 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1vk0 h LEU 120 Cb 0.64 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.14 1vk0 h LEU 120 CO -0.45 0.84 0.23 0.44 0.09 0.00 0.00 178.44 179.59 1vk0 h ASP 121 N 0.79 0.90 -0.23 -0.43 3.32 -1.17 -2.12 116.42 117.49 1vk0 h ASP 121 Ca 0.18 -0.19 -0.04 0.00 0.02 0.00 0.00 57.03 57.00 1vk0 h ASP 121 Cb 0.32 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.63 1vk0 h ASP 121 CO -0.00 0.85 -0.00 -0.07 -1.72 0.00 0.00 179.24 178.29 1vk0 h LEU 122 N 0.91 0.40 -0.57 1.55 3.38 -0.32 -0.70 115.31 119.96 1vk0 h LEU 122 Ca 0.21 -0.31 0.11 0.00 0.09 0.00 0.00 57.88 57.98 1vk0 h LEU 122 Cb 0.24 -0.11 -0.09 0.00 0.09 0.00 0.00 40.66 40.79 1vk0 h LEU 122 CO -0.01 0.61 0.04 -0.07 0.09 0.00 0.00 178.44 179.10 1vk0 h LEU 123 N 0.17 -0.18 0.33 1.67 3.38 -0.57 0.13 115.31 120.25 1vk0 h LEU 123 Ca 0.06 0.13 -0.02 0.00 0.09 0.00 0.00 57.88 58.15 1vk0 h LEU 123 Cb 0.41 0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1vk0 h LEU 123 CO 0.01 -0.07 -0.16 -0.09 0.09 0.00 0.00 178.44 178.23 1vk0 h ARG 124 N 0.15 -0.43 -0.41 1.13 2.43 -1.27 -0.35 114.38 115.63 1vk0 h ARG 124 Ca 0.30 0.03 -0.14 0.00 -0.81 0.00 0.00 59.98 59.35 1vk0 h ARG 124 Cb 0.46 0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1vk0 h ARG 124 CO -0.46 -0.14 -0.30 0.93 -1.51 0.00 0.00 179.97 178.50 1vk0 h GLU 125 N -0.72 0.92 0.04 0.20 4.39 -0.96 -0.02 114.58 118.43 1vk0 h GLU 125 Ca -0.05 -0.43 -0.35 0.00 0.34 0.00 0.00 59.36 58.88 1vk0 h GLU 125 Cb 0.49 -0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.08 1vk0 h GLU 125 CO 0.07 1.09 -2.06 0.09 -1.16 0.00 0.00 179.01 177.05 1vk0 n ASN 126 N -4.08 1.31 -0.00 1.42 4.13 0.43 -4.56 115.26 113.92 1vk0 n ASN 126 Ca -0.01 0.18 0.02 0.00 1.68 0.00 0.00 54.58 56.45 1vk0 n ASN 126 Cb 0.50 -0.19 -0.03 0.00 -1.54 0.00 0.00 39.78 38.52 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 -3.17 0.00 -1.46 3.10 8.25 -0.43 -5.00 115.22 116.51 1vk0 n HIS 127 Ca -0.30 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.05 1vk0 n HIS 127 Cb 1.06 -0.02 -0.04 0.00 1.12 0.00 0.00 29.99 32.10 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 1.33 1.08 3.64 -1.41 0.00 -0.02 -4.96 105.19 104.84 1vk0 n GLY 128 Ca 0.01 -0.48 -0.40 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.72 4.09 -0.16 0.99 0.20 -0.71 -4.93 118.68 115.44 1vk0 s LEU 129 Ca 0.00 0.65 -0.02 0.00 0.69 0.00 0.00 54.13 55.45 1vk0 s LEU 129 Cb 0.00 -2.76 -0.02 0.00 -0.43 0.00 0.00 46.19 42.99 1vk0 s LEU 129 CO 0.00 -0.28 -0.08 -0.69 -0.29 0.00 0.00 176.35 175.00 1vk0 s VAL 130 N 2.15 3.34 -0.38 1.68 1.01 -1.26 -2.98 120.40 123.95 1vk0 s VAL 130 Ca 0.24 -0.54 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 1vk0 s VAL 130 Cb -0.16 -2.45 0.05 0.00 0.00 0.00 0.00 36.38 33.82 1vk0 s VAL 130 CO 0.09 0.49 0.20 -0.63 0.00 0.00 0.00 175.10 175.25 1vk0 s ILE 131 N 0.71 4.27 0.23 2.22 1.01 -1.26 -3.99 121.20 124.39 1vk0 s ILE 131 Ca -0.04 -1.13 0.14 0.00 0.00 0.00 0.00 60.65 59.62 1vk0 s ILE 131 Cb -0.15 -3.48 0.04 0.00 0.01 0.00 0.00 42.46 38.88 1vk0 s ILE 131 CO 0.02 -0.33 1.66 0.03 0.00 0.00 0.00 174.94 176.32 1vk0 h ARG 132 N 8.38 0.00 -2.69 2.79 3.08 -1.80 -3.37 114.38 120.77 1vk0 h ARG 132 Ca -0.24 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.21 1vk0 h ARG 132 Cb 1.09 0.00 -0.40 0.00 0.08 0.00 0.00 29.97 30.74 1vk0 h ARG 132 CO 0.69 0.52 -0.78 -1.71 -1.07 0.00 0.00 179.97 177.61 1vk0 n ASN 133 N -3.70 1.28 -4.42 7.04 4.05 -1.26 -5.09 115.26 113.16 1vk0 n ASN 133 Ca -0.01 -2.80 -0.27 0.00 0.45 0.00 0.00 54.58 51.96 1vk0 n ASN 133 Cb 0.57 -0.65 -0.12 0.00 1.23 0.00 0.00 39.78 40.81 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 -0.75 2.52 -0.04 5.20 0.00 -1.26 -0.55 121.76 126.88 1vk0 s ALA 134 Ca 0.29 -1.64 -0.03 0.00 0.00 0.00 0.00 51.96 50.59 1vk0 s ALA 134 Cb 0.01 -0.33 0.02 0.00 0.00 0.00 0.00 23.12 22.82 1vk0 s ALA 134 CO -0.18 0.42 0.10 -1.50 0.00 0.00 0.00 175.76 174.60 1vk0 s ILE 135 N -1.68 -0.02 -0.82 0.00 2.07 -0.27 -4.91 121.20 115.57 1vk0 s ILE 135 Ca 0.21 0.07 -0.21 0.00 -1.41 0.00 0.00 60.65 59.31 1vk0 s ILE 135 Cb -0.08 -0.15 0.10 0.00 0.13 0.00 0.00 42.46 42.45 1vk0 s ILE 135 CO 0.10 0.03 1.09 0.21 -1.91 0.00 0.00 174.94 174.45 1vk0 s ASN 136 N 0.44 6.41 0.51 4.50 3.04 -1.26 -1.55 114.94 127.03 1vk0 s ASN 136 Ca -0.03 -1.51 0.27 0.00 0.04 0.00 0.00 52.86 51.63 1vk0 s ASN 136 Cb -0.05 -2.42 1.39 0.00 -1.54 0.00 0.00 41.25 38.63 1vk0 s ASN 136 CO -0.02 -1.28 2.04 1.62 -3.04 0.00 0.00 177.10 176.43 1vk0 h VAL 137 N 5.99 0.57 -0.31 -5.21 3.04 -1.64 -2.91 116.25 115.79 1vk0 h VAL 137 Ca -0.04 -0.60 0.00 0.00 -1.01 0.00 0.00 66.70 65.06 1vk0 h VAL 137 Cb 1.04 1.39 -0.02 0.00 -2.01 0.00 0.00 31.29 31.70 1vk0 h VAL 137 CO 1.17 0.13 0.20 1.23 -1.01 0.00 0.00 177.57 179.29 1vk0 h GLY 138 N 0.97 0.43 0.83 3.17 0.00 -1.83 0.17 103.07 106.81 1vk0 h GLY 138 Ca -0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 47.33 47.07 1vk0 h GLY 138 CO 0.02 0.16 -0.29 1.70 0.00 0.00 0.00 176.54 178.13 1vk0 h LYS 139 N 0.41 0.49 -0.42 4.80 3.64 -1.78 -0.47 116.57 123.24 1vk0 h LYS 139 Ca 0.11 -0.30 0.05 0.00 -1.27 0.00 0.00 60.65 59.23 1vk0 h LYS 139 Cb -0.05 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.76 1vk0 h LYS 139 CO -0.02 0.90 0.17 1.25 -2.27 0.00 0.00 179.45 179.48 1vk0 h LEU 140 N 0.13 0.21 -0.98 5.20 5.85 -1.52 -0.26 115.31 123.94 1vk0 h LEU 140 Ca 0.01 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.79 1vk0 h LEU 140 Cb 0.87 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.86 1vk0 h LEU 140 CO 0.07 0.15 0.65 0.00 -0.34 0.00 0.00 178.44 178.97 1vk0 h ALA 141 N 1.26 1.25 -0.14 1.25 0.00 -0.37 0.11 119.26 122.62 1vk0 h ALA 141 Ca 0.19 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.02 1vk0 h ALA 141 Cb 0.16 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.56 1vk0 h ALA 141 CO -0.18 0.61 -0.01 0.00 0.00 0.00 0.00 179.25 179.67 1vk0 h ALA 142 N 1.37 0.19 -0.56 0.00 0.00 -0.42 0.01 119.26 119.86 1vk0 h ALA 142 Ca 0.37 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1vk0 h ALA 142 Cb -0.12 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1vk0 h ALA 142 CO -0.09 -0.10 -0.08 0.93 0.00 0.00 0.00 179.25 179.91 1vk0 h GLU 143 N -0.01 1.03 -0.29 0.00 5.08 -0.83 -0.11 114.58 119.45 1vk0 h GLU 143 Ca 0.04 -0.37 -0.03 0.00 -1.00 0.00 0.00 59.36 58.00 1vk0 h GLU 143 Cb 0.39 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1vk0 h GLU 143 CO 0.01 1.06 0.06 0.00 -1.00 0.00 0.00 179.01 179.14 1vk0 h ALA 144 N 0.97 0.38 -0.01 3.43 0.00 -0.70 -3.12 119.26 120.21 1vk0 h ALA 144 Ca 0.15 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1vk0 h ALA 144 Cb 0.65 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1vk0 h ALA 144 CO 0.04 0.05 -0.08 -2.13 0.00 0.00 0.00 179.25 177.13 1vk0 n ARG 145 N -4.67 1.45 -4.06 0.00 3.00 -0.02 -4.93 116.66 107.43 1vk0 n ARG 145 Ca -0.02 -0.88 -0.32 0.00 -0.00 0.00 0.00 57.85 56.63 1vk0 n ARG 145 Cb 0.19 -1.48 -0.01 0.00 0.00 0.00 0.00 32.46 31.16 1vk0 n ARG 145 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1vk0 n GLY 146 N 1.24 -0.42 2.83 5.14 0.00 -0.14 -4.97 105.19 108.87 1vk0 n GLY 146 Ca 0.17 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 46.04 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 -3.42 1.61 0.33 2.61 2.01 -0.69 -5.03 115.64 113.07 1vk0 s THR 147 Ca 0.56 -2.22 0.09 0.00 0.31 0.00 0.00 61.69 60.43 1vk0 s THR 147 Cb -0.30 -2.17 0.32 0.00 0.01 0.00 0.00 72.50 70.36 1vk0 s THR 147 CO 0.89 -0.73 1.79 -0.07 -0.69 0.00 0.00 174.62 175.80 1vk0 h LEU 148 N 7.37 0.69 -1.52 4.42 3.38 -1.93 -2.68 115.31 125.04 1vk0 h LEU 148 Ca -0.07 0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 1vk0 h LEU 148 Cb 0.98 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1vk0 h LEU 148 CO 0.52 0.23 -0.08 1.62 0.09 0.00 0.00 178.44 180.82 1vk0 h VAL 149 N 0.67 0.22 -0.33 1.22 3.04 -1.95 -3.02 116.25 116.09 1vk0 h VAL 149 Ca 0.57 -0.65 0.04 0.00 -1.01 0.00 0.00 66.70 65.65 1vk0 h VAL 149 Cb 1.02 1.53 -0.02 0.00 -2.01 0.00 0.00 31.29 31.81 1vk0 h VAL 149 CO -0.35 0.07 0.22 -0.07 -1.01 0.00 0.00 177.57 176.44 1vk0 h LEU 150 N 0.00 0.23 -2.42 3.16 3.38 -1.78 0.33 115.31 118.21 1vk0 h LEU 150 Ca -0.00 -0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1vk0 h LEU 150 Cb 0.52 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.22 1vk0 h LEU 150 CO 0.01 0.16 0.08 -0.08 0.09 0.00 0.00 178.44 178.70 1vk0 h GLU 151 N 0.27 0.00 -0.23 1.13 4.81 -1.47 -2.99 114.58 116.10 1vk0 h GLU 151 Ca 0.14 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1vk0 h GLU 151 Cb 0.22 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.57 1vk0 h GLU 151 CO -0.03 0.00 -0.05 1.19 -0.73 0.00 0.00 179.01 179.39 1vk0 n PHE 152 N -3.73 0.77 -4.03 0.92 3.01 0.10 -4.67 117.46 109.83 1vk0 n PHE 152 Ca -0.01 -1.17 -0.28 0.00 1.01 0.00 0.00 57.45 57.00 1vk0 n PHE 152 Cb 0.18 -0.34 -0.05 0.00 -0.01 0.00 0.00 39.48 39.25 1vk0 n PHE 152 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1vk0 s LEU 153 N -3.00 3.95 0.00 4.37 1.43 -1.13 -5.10 118.68 119.20 1vk0 s LEU 153 Ca 0.41 0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.46 1vk0 s LEU 153 Cb 0.35 -2.58 0.07 0.00 0.03 0.00 0.00 46.19 44.07 1vk0 s LEU 153 CO 0.04 0.12 0.44 0.61 0.23 0.00 0.00 176.35 177.79 1vk0 n GLY 154 N 0.02 -1.17 0.10 -3.19 0.00 -1.26 -4.69 105.19 95.00 1vk0 n GLY 154 Ca -0.08 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 1vk0 n GLY 154 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1vk0 h THR 155 N -1.22 0.90 -0.32 2.61 2.02 -2.00 -1.45 112.91 113.45 1vk0 h THR 155 Ca -0.14 -0.06 -0.04 0.00 0.77 0.00 0.00 66.41 66.94 1vk0 h THR 155 Cb 0.40 0.93 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1vk0 h THR 155 CO 0.10 0.01 0.05 -0.09 0.37 0.00 0.00 175.52 175.97 1vk0 h ARG 156 N -0.18 0.53 -0.19 6.66 1.12 -1.97 -2.22 114.38 118.12 1vk0 h ARG 156 Ca -0.02 -0.14 -0.15 0.00 -1.11 0.00 0.00 59.98 58.56 1vk0 h ARG 156 Cb 0.14 -0.06 -0.01 0.00 -0.01 0.00 0.00 29.97 30.04 1vk0 h ARG 156 CO 0.03 0.62 -0.52 1.49 -3.11 0.00 0.00 179.97 178.48 1vk0 h GLU 157 N 0.35 0.53 -0.07 0.20 4.57 -1.91 0.51 114.58 118.77 1vk0 h GLU 157 Ca 0.10 -0.32 0.00 0.00 -1.18 0.00 0.00 59.36 57.96 1vk0 h GLU 157 Cb 0.35 0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.97 1vk0 h GLU 157 CO 0.01 0.92 0.04 1.25 -1.18 0.00 0.00 179.01 180.05 1vk0 h LEU 158 N 0.42 0.08 -0.43 1.64 5.85 -1.21 0.36 115.31 122.02 1vk0 h LEU 158 Ca 0.01 -0.00 0.05 0.00 0.84 0.00 0.00 57.88 58.78 1vk0 h LEU 158 Cb 1.05 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 1vk0 h LEU 158 CO 0.10 0.06 0.16 0.00 -0.34 0.00 0.00 178.44 178.41 1vk0 h ALA 159 N 1.02 0.51 -0.50 1.25 0.00 -0.86 0.30 119.26 120.98 1vk0 h ALA 159 Ca 0.02 0.05 0.09 0.00 0.00 0.00 0.00 54.91 55.07 1vk0 h ALA 159 Cb -0.01 0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.73 1vk0 h ALA 159 CO -0.01 -0.23 0.10 1.25 0.00 0.00 0.00 179.25 180.36 1vk0 h HIS 160 N 0.33 0.15 0.00 0.00 -0.00 -0.65 0.20 115.15 115.18 1vk0 h HIS 160 Ca 0.20 0.03 -0.02 0.00 -0.00 0.00 0.00 60.37 60.58 1vk0 h HIS 160 Cb 0.18 0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.60 1vk0 h HIS 160 CO -0.15 -0.01 -0.09 0.00 -0.00 0.00 0.00 177.93 177.68 1vk0 h ARG 161 N 0.23 0.00 0.11 5.26 2.47 -0.02 -1.39 114.38 121.05 1vk0 h ARG 161 Ca 0.25 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.61 1vk0 h ARG 161 Cb 0.34 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.64 1vk0 h ARG 161 CO -0.33 0.09 -2.01 0.28 0.56 0.00 0.00 179.97 178.56 1vk0 n VAL 162 N -3.14 1.76 -0.07 2.04 0.31 0.01 -4.71 118.33 114.54 1vk0 n VAL 162 Ca 0.03 -0.66 -0.08 0.00 -0.01 0.00 0.00 64.34 63.62 1vk0 n VAL 162 Cb 0.51 -1.69 -0.08 0.00 -0.91 0.00 0.00 33.84 31.67 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 -3.45 1.19 -3.29 7.52 4.77 0.67 -5.05 117.00 119.35 1vk0 n LEU 163 Ca -0.32 -0.03 -0.17 0.00 -0.03 0.00 0.00 56.01 55.46 1vk0 n LEU 163 Cb 1.05 -0.03 0.08 0.00 -2.33 0.00 0.00 43.42 42.18 1vk0 n LEU 163 CO 0.42 0.48 0.12 0.79 -1.33 0.00 0.00 177.39 177.87 1vk0 n TRP 164 N -2.64 -2.13 -3.34 -1.77 8.01 -0.52 -5.04 117.44 110.00 1vk0 n TRP 164 Ca -0.22 0.89 -0.22 0.00 -1.31 0.00 0.00 57.50 56.63 1vk0 n TRP 164 Cb 0.85 -4.87 0.04 0.00 -2.01 0.00 0.00 31.31 25.31 1vk0 n TRP 164 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.69 177.13 1vk0 s SER 165 N -4.14 4.94 -0.14 -0.99 0.15 -1.26 -5.08 113.70 107.17 1vk0 s SER 165 Ca 0.07 -0.99 -0.16 0.00 0.70 0.00 0.00 55.95 55.57 1vk0 s SER 165 Cb -0.03 0.33 -0.04 0.00 -1.71 0.00 0.00 66.02 64.57 1vk0 s SER 165 CO 0.68 -1.25 0.41 -0.62 1.20 0.00 0.00 173.24 173.66 1vk0 s ASP 166 N -4.52 6.57 -0.11 5.45 -1.08 -1.26 -4.94 116.67 116.79 1vk0 s ASP 166 Ca 0.52 0.68 0.15 0.00 -0.52 0.00 0.00 52.55 53.38 1vk0 s ASP 166 Cb -0.04 -2.25 0.24 0.00 -1.46 0.00 0.00 42.92 39.41 1vk0 s ASP 166 CO 0.32 0.02 1.12 0.18 0.52 0.00 0.00 175.17 177.34 1vk0 n LEU 167 N 3.75 2.27 -0.18 -1.34 4.77 -1.26 -4.74 117.00 120.28 1vk0 n LEU 167 Ca -0.09 -2.88 -0.09 0.00 -0.03 0.00 0.00 56.01 52.92 1vk0 n LEU 167 Cb 0.52 -0.35 0.01 0.00 -2.33 0.00 0.00 43.42 41.26 1vk0 n LEU 167 CO 0.42 0.67 0.87 1.23 -1.33 0.00 0.00 177.39 179.24 1vk0 h GLY 168 N 0.00 0.89 0.75 -0.72 0.00 -1.98 0.79 103.07 102.79 1vk0 h GLY 168 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1vk0 h GLY 168 CO 0.00 0.54 -0.14 -1.61 0.00 0.00 0.00 176.54 175.33 1vk0 h GLN 169 N 0.70 -0.38 -0.11 4.80 5.75 -1.99 0.42 115.11 124.30 1vk0 h GLN 169 Ca 0.15 0.03 0.04 0.00 -0.15 0.00 0.00 58.65 58.72 1vk0 h GLN 169 Cb 0.38 0.09 -0.05 0.00 1.07 0.00 0.00 27.48 28.96 1vk0 h GLN 169 CO 0.01 -0.09 -0.22 1.25 -2.65 0.00 0.00 178.83 177.12 1vk0 h LEU 170 N -0.65 -0.69 -0.50 -2.39 5.85 -1.86 -2.45 115.31 112.62 1vk0 h LEU 170 Ca -0.04 0.11 0.09 0.00 0.84 0.00 0.00 57.88 58.88 1vk0 h LEU 170 Cb 0.46 0.31 -0.07 0.00 0.37 0.00 0.00 40.66 41.73 1vk0 h LEU 170 CO 0.07 -0.28 0.08 0.44 -0.34 0.00 0.00 178.44 178.41 1vk0 h ASP 171 N -0.29 -0.03 -0.99 1.25 3.45 0.81 -1.87 116.42 118.75 1vk0 h ASP 171 Ca 0.10 0.09 0.11 0.00 0.43 0.00 0.00 57.03 57.76 1vk0 h ASP 171 Cb 0.43 0.13 -0.08 0.00 -0.56 0.00 0.00 39.33 39.26 1vk0 h ASP 171 CO -0.28 0.01 0.62 0.77 -1.57 0.00 0.00 179.24 178.79 1vk0 h SER 172 N 0.22 0.93 -0.11 6.45 4.64 0.09 0.95 113.55 126.71 1vk0 h SER 172 Ca 0.25 0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.52 1vk0 h SER 172 Cb 0.34 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.29 1vk0 h SER 172 CO -0.34 0.51 -0.28 0.40 -0.87 0.00 0.00 176.83 176.25 1vk0 h ILE 173 N 1.01 1.39 -0.16 0.95 2.04 -0.90 -3.32 117.51 118.52 1vk0 h ILE 173 Ca 0.48 -1.59 -0.15 0.00 1.00 0.00 0.00 64.86 64.60 1vk0 h ILE 173 Cb 0.43 2.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.63 1vk0 h ILE 173 CO -0.25 0.47 -0.55 -0.33 0.00 0.00 0.00 178.15 177.49 1vk0 h GLU 174 N -0.05 0.47 -0.60 2.37 5.08 -0.92 -2.67 114.58 118.25 1vk0 h GLU 174 Ca -0.00 -0.29 0.12 0.00 -1.00 0.00 0.00 59.36 58.19 1vk0 h GLU 174 Cb 0.89 0.03 -0.03 0.00 0.50 0.00 0.00 28.75 30.14 1vk0 h GLU 174 CO 0.06 0.89 0.41 0.00 -1.00 0.00 0.00 179.01 179.37 1vk0 h ALA 175 N 1.05 2.16 -0.63 3.43 0.00 -0.93 -1.74 119.26 122.59 1vk0 h ALA 175 Ca 0.01 -0.01 -0.41 0.00 0.00 0.00 0.00 54.91 54.50 1vk0 h ALA 175 Cb 1.07 -0.04 -0.25 0.00 0.00 0.00 0.00 17.79 18.56 1vk0 h ALA 175 CO 0.10 -0.31 -0.10 0.36 0.00 0.00 0.00 179.25 179.30 1vk0 n LYS 176 N -4.45 2.58 -0.34 0.00 -0.00 -1.09 -4.88 118.16 109.98 1vk0 n LYS 176 Ca 0.10 -3.52 0.19 0.00 -0.00 0.00 0.00 58.31 55.09 1vk0 n LYS 176 Cb 0.46 -2.07 0.42 0.00 -0.00 0.00 0.00 35.03 33.84 1vk0 n LYS 176 CO 0.00 0.00 0.00 2.35 0.00 0.00 0.00 177.40 179.75 1vk0 h TRP 177 N 1.58 0.93 0.00 5.58 2.91 -0.98 0.44 115.95 126.41 1vk0 h TRP 177 Ca 0.36 0.03 -0.05 0.00 1.13 0.00 0.00 58.89 60.37 1vk0 h TRP 177 Cb 1.49 -0.27 -0.01 0.00 -0.51 0.00 0.00 29.16 29.86 1vk0 h TRP 177 CO 1.09 0.04 -0.23 1.05 -1.03 0.00 0.00 178.44 179.36 1vk0 h GLU 178 N 0.52 0.00 -0.00 2.65 9.09 -1.89 -2.94 114.58 122.01 1vk0 h GLU 178 Ca 0.65 0.00 0.00 0.00 0.05 0.00 0.00 59.36 60.06 1vk0 h GLU 178 Cb 1.34 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.44 1vk0 h GLU 178 CO -0.45 0.23 -0.65 1.63 0.05 0.00 0.00 179.01 179.82 1vk0 n LYS 179 N -3.56 0.33 -2.85 1.06 5.02 0.11 -4.98 118.16 113.29 1vk0 n LYS 179 Ca -0.01 -0.24 -0.40 0.00 -2.02 0.00 0.00 58.31 55.64 1vk0 n LYS 179 Cb 0.37 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.83 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 -2.84 3.36 1.24 7.82 0.00 -1.02 -5.04 121.76 125.27 1vk0 s ALA 180 Ca 0.13 0.48 -0.18 0.00 0.00 0.00 0.00 51.96 52.38 1vk0 s ALA 180 Cb 0.17 -3.11 0.30 0.00 0.00 0.00 0.00 23.12 20.48 1vk0 s ALA 180 CO 0.72 0.16 1.04 0.20 0.00 0.00 0.00 175.76 177.88 1vk0 s GLY 181 N -0.75 1.52 0.35 0.00 0.00 -1.26 -4.76 107.32 102.42 1vk0 s GLY 181 Ca 0.40 -0.72 0.14 0.00 0.00 0.00 0.00 44.72 44.55 1vk0 s GLY 181 CO 0.28 0.15 1.77 -2.55 0.00 0.00 0.00 173.10 172.75 1vk0 h PRO 182 N -2.77 0.00 -0.02 2.90 0.11 -1.99 -1.57 132.00 128.67 1vk0 h PRO 182 Ca -0.48 0.00 -0.21 0.00 0.11 0.00 0.00 66.00 65.41 1vk0 h PRO 182 Cb 1.32 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.43 1vk0 h PRO 182 CO 0.38 0.42 -0.88 1.49 -0.21 0.00 0.00 178.00 179.21 1vk0 h GLU 183 N 0.00 0.37 -0.11 1.05 4.81 -1.99 -2.11 114.58 116.60 1vk0 h GLU 183 Ca -0.00 -0.38 -0.14 0.00 -0.13 0.00 0.00 59.36 58.71 1vk0 h GLU 183 Cb 0.80 0.10 -0.01 0.00 0.63 0.00 0.00 28.75 30.27 1vk0 h GLU 183 CO 0.06 1.05 -0.55 0.93 -0.73 0.00 0.00 179.01 179.77 1vk0 h GLU 184 N 0.22 0.32 -0.49 1.92 5.08 -1.76 -0.93 114.58 118.95 1vk0 h GLU 184 Ca -0.06 -0.20 -0.12 0.00 -1.00 0.00 0.00 59.36 57.98 1vk0 h GLU 184 Cb 1.50 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.75 1vk0 h GLU 184 CO 0.15 0.79 -0.18 1.96 -1.00 0.00 0.00 179.01 180.72 1vk0 h GLN 185 N 0.25 0.96 -0.51 2.33 4.20 -1.31 -1.17 115.11 119.86 1vk0 h GLN 185 Ca 0.00 -0.39 0.00 0.00 0.06 0.00 0.00 58.65 58.33 1vk0 h GLN 185 Cb 1.04 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.75 1vk0 h GLN 185 CO 0.09 1.06 0.33 1.25 -0.67 0.00 0.00 178.83 180.89 1vk0 h LEU 186 N 0.84 0.59 -0.27 1.46 5.85 -1.32 -0.60 115.31 121.86 1vk0 h LEU 186 Ca 0.12 -0.02 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1vk0 h LEU 186 Cb 0.74 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.60 1vk0 h LEU 186 CO 0.06 0.44 0.12 -0.08 -0.34 0.00 0.00 178.44 178.63 1vk0 h GLU 187 N 0.69 0.25 -0.41 1.25 4.81 -0.81 0.67 114.58 121.03 1vk0 h GLU 187 Ca 0.19 -0.01 0.01 0.00 -0.13 0.00 0.00 59.36 59.41 1vk0 h GLU 187 Cb -0.07 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.24 1vk0 h GLU 187 CO -0.04 0.16 0.27 0.00 -0.73 0.00 0.00 179.01 178.67 1vk0 h ALA 188 N 1.16 0.52 -0.73 2.92 0.00 -1.04 0.09 119.26 122.17 1vk0 h ALA 188 Ca 0.12 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 1vk0 h ALA 188 Cb 0.06 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.65 1vk0 h ALA 188 CO -0.10 -0.03 0.45 0.00 0.00 0.00 0.00 179.25 179.56 1vk0 h ALA 189 N 1.15 1.41 -0.24 0.00 0.00 -0.46 0.36 119.26 121.48 1vk0 h ALA 189 Ca 0.15 -0.08 -0.15 0.00 0.00 0.00 0.00 54.91 54.83 1vk0 h ALA 189 Cb -0.06 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1vk0 h ALA 189 CO -0.04 0.52 -0.45 0.00 0.00 0.00 0.00 179.25 179.28 1vk0 h ALA 190 N 1.49 0.38 -0.52 0.00 0.00 0.83 -1.19 119.26 120.24 1vk0 h ALA 190 Ca 0.26 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.70 1vk0 h ALA 190 Cb -0.05 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1vk0 h ALA 190 CO -0.05 0.52 0.32 0.82 0.00 0.00 0.00 179.25 180.86 1vk0 h ILE 191 N 0.46 1.16 -0.98 0.00 2.04 -0.70 -2.02 117.51 117.47 1vk0 h ILE 191 Ca 0.01 -0.35 0.03 0.00 1.00 0.00 0.00 64.86 65.55 1vk0 h ILE 191 Cb 1.06 0.45 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 1vk0 h ILE 191 CO 0.10 0.16 0.65 -0.33 0.00 0.00 0.00 178.15 178.73 1vk0 h GLU 192 N 0.70 1.24 -0.35 2.37 5.08 -0.85 -0.51 114.58 122.26 1vk0 h GLU 192 Ca 0.19 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1vk0 h GLU 192 Cb -0.02 -0.28 -0.02 0.00 0.50 0.00 0.00 28.75 28.93 1vk0 h GLU 192 CO -0.04 0.82 0.22 0.78 -1.00 0.00 0.00 179.01 179.80 1vk0 h GLY 193 N 1.28 0.49 0.98 -3.84 0.00 -0.82 -1.90 103.07 99.25 1vk0 h GLY 193 Ca 0.38 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.46 1vk0 h GLY 193 CO -0.10 0.17 -0.04 -0.25 0.00 0.00 0.00 176.54 176.31 1vk0 h TRP 194 N 0.46 0.86 -0.67 5.60 7.01 -1.06 -0.40 115.95 127.74 1vk0 h TRP 194 Ca 0.13 -0.16 0.06 0.00 2.11 0.00 0.00 58.89 61.02 1vk0 h TRP 194 Cb -0.04 -0.22 -0.05 0.00 -2.10 0.00 0.00 29.16 26.75 1vk0 h TRP 194 CO -0.06 0.86 0.38 -0.07 -2.79 0.00 0.00 178.44 176.76 1vk0 h LEU 195 N 0.61 0.57 -0.23 0.65 3.38 -0.94 -0.94 115.31 118.41 1vk0 h LEU 195 Ca 0.12 0.03 -0.20 0.00 0.09 0.00 0.00 57.88 57.91 1vk0 h LEU 195 Cb 0.55 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 1vk0 h LEU 195 CO 0.03 0.37 -0.91 0.40 0.09 0.00 0.00 178.44 178.42 1vk0 h ILE 196 N 0.70 1.54 -0.26 1.22 1.08 -1.02 0.20 117.51 120.97 1vk0 h ILE 196 Ca 0.30 -2.80 0.06 0.00 -0.39 0.00 0.00 64.86 62.03 1vk0 h ILE 196 Cb 0.17 2.57 -0.06 0.00 -3.07 0.00 0.00 36.82 36.43 1vk0 h ILE 196 CO -0.18 0.81 -0.13 0.58 -0.69 0.00 0.00 178.15 178.54 1vk0 h VAL 197 N 0.07 0.59 -0.47 1.67 2.07 -0.84 0.32 116.25 119.67 1vk0 h VAL 197 Ca -0.04 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 67.41 1vk0 h VAL 197 Cb 1.57 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 31.90 1vk0 h VAL 197 CO 0.13 0.00 0.02 0.78 0.02 0.00 0.00 177.57 178.52 1vk0 h ASN 198 N -0.10 0.72 -0.53 0.57 2.35 -0.85 -0.32 115.58 117.42 1vk0 h ASN 198 Ca 0.14 -0.16 0.02 0.00 -0.55 0.00 0.00 56.30 55.75 1vk0 h ASN 198 Cb 0.31 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.46 1vk0 h ASN 198 CO -0.33 0.78 0.33 0.58 -1.65 0.00 0.00 177.43 177.14 1vk0 h VAL 199 N 0.72 1.08 -0.33 2.81 2.07 -0.30 -0.82 116.25 121.48 1vk0 h VAL 199 Ca 0.14 -0.22 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 1vk0 h VAL 199 Cb 0.41 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 1vk0 h VAL 199 CO 0.01 0.12 0.03 -0.25 0.02 0.00 0.00 177.57 177.50 1vk0 h TRP 200 N 0.66 0.61 -0.87 1.57 2.91 0.23 -1.11 115.95 119.95 1vk0 h TRP 200 Ca 0.21 -0.10 0.03 0.00 1.13 0.00 0.00 58.89 60.16 1vk0 h TRP 200 Cb -0.01 -0.16 -0.05 0.00 -0.51 0.00 0.00 29.16 28.43 1vk0 h TRP 200 CO -0.06 0.66 0.56 -0.44 -1.03 0.00 0.00 178.44 178.14 1vk0 h ASP 201 N 0.38 0.94 0.29 2.65 3.32 -0.69 0.64 116.42 123.95 1vk0 h ASP 201 Ca 0.10 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.12 1vk0 h ASP 201 Cb 0.40 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.74 1vk0 h ASP 201 CO 0.01 0.65 -0.15 -0.61 -1.72 0.00 0.00 179.24 177.43 1vk0 h GLN 202 N 1.10 -0.39 -0.07 3.56 5.75 -0.92 -2.99 115.11 121.16 1vk0 h GLN 202 Ca 0.34 0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.80 1vk0 h GLN 202 Cb -0.01 0.09 -0.01 0.00 1.07 0.00 0.00 27.48 28.62 1vk0 h GLN 202 CO -0.11 -0.26 -0.26 -0.07 -2.65 0.00 0.00 178.83 175.48 1vk0 h LEU 203 N -0.40 0.12 -2.28 -2.39 3.38 -0.76 -2.28 115.31 110.69 1vk0 h LEU 203 Ca -0.04 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1vk0 h LEU 203 Cb 0.31 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1vk0 h LEU 203 CO 0.06 0.39 -0.02 -1.28 0.09 0.00 0.00 178.44 177.67 1vk0 h SER 204 N 0.11 0.00 1.26 -0.43 0.87 -0.73 -2.77 113.55 111.85 1vk0 h SER 204 Ca 0.02 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 1vk0 h SER 204 Cb 0.53 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 62.49 1vk0 h SER 204 CO 0.04 0.02 -0.76 0.44 -0.53 0.00 0.00 176.83 176.04 1vk0 h ASP 205 N 0.00 0.00 -0.01 6.23 3.32 -1.37 -3.51 116.42 121.08 1vk0 h ASP 205 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1vk0 h ASP 205 Cb 0.05 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.60 1vk0 h ASP 205 CO 0.00 0.10 0.00 -0.62 -1.72 0.00 0.00 179.24 177.00