#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1vsi n LEU 55 N 0.00 4.31 -4.65 0.99 4.77 -1.26 -4.99 117.00 116.17 1vsi n LEU 55 Ca 0.00 -2.16 -0.28 0.00 -0.03 0.00 0.00 56.01 53.53 1vsi n LEU 55 Cb 0.00 -0.53 0.19 0.00 -2.33 0.00 0.00 43.42 40.75 1vsi n LEU 55 CO 0.00 0.90 0.62 -0.83 -1.33 0.00 0.00 177.39 176.75 1vsi s GLY 56 N -0.95 1.56 0.62 -0.72 0.00 -1.26 -4.97 107.32 101.60 1vsi s GLY 56 Ca 0.50 -0.37 -0.19 0.00 0.00 0.00 0.00 44.72 44.67 1vsi s GLY 56 CO 0.30 0.28 1.30 -1.55 0.00 0.00 0.00 173.10 173.42 1vsi n PRO 57 N -4.32 1.25 -2.39 2.90 -0.04 -1.26 -4.99 135.00 126.15 1vsi n PRO 57 Ca 0.05 0.48 -0.37 0.00 -0.04 0.00 0.00 63.50 63.62 1vsi n PRO 57 Cb 0.57 -2.53 -0.02 0.00 -0.04 0.00 0.00 33.50 31.48 1vsi n PRO 57 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1vsi s LEU 58 N -4.04 4.06 -1.08 1.53 1.43 -1.26 -4.96 118.68 114.35 1vsi s LEU 58 Ca 0.80 2.18 -0.16 0.00 -1.03 0.00 0.00 54.13 55.92 1vsi s LEU 58 Cb -0.39 -4.23 0.16 0.00 0.03 0.00 0.00 46.19 41.76 1vsi s LEU 58 CO 0.43 -0.73 1.27 -1.10 0.23 0.00 0.00 176.35 176.44 1vsi s GLN 59 N -2.64 3.88 -0.06 1.70 1.11 -1.26 -4.26 119.66 118.14 1vsi s GLN 59 Ca 0.61 -2.28 0.06 0.00 0.01 0.00 0.00 55.36 53.76 1vsi s GLN 59 Cb -0.25 -4.96 -0.01 0.00 -1.01 0.00 0.00 33.01 26.78 1vsi s GLN 59 CO 0.31 -1.73 -0.24 0.42 0.01 0.00 0.00 175.29 174.06 1vsi s ILE 60 N 1.83 2.17 0.27 1.08 1.01 -1.26 -0.47 121.20 125.84 1vsi s ILE 60 Ca 0.37 -1.03 0.08 0.00 0.00 0.00 0.00 60.65 60.07 1vsi s ILE 60 Cb -0.04 -1.79 -0.04 0.00 0.01 0.00 0.00 42.46 40.60 1vsi s ILE 60 CO -0.04 0.57 0.12 0.26 0.00 0.00 0.00 174.94 175.85 1vsi s TRP 61 N -0.22 2.90 -0.08 3.97 0.51 -0.08 -1.11 118.94 124.83 1vsi s TRP 61 Ca -0.02 -0.19 0.02 0.00 -2.12 0.00 0.00 56.10 53.79 1vsi s TRP 61 Cb -0.13 -1.37 0.02 0.00 -0.81 0.00 0.00 33.47 31.17 1vsi s TRP 61 CO 0.03 0.52 -0.11 -0.65 -0.51 0.00 0.00 176.95 176.23 1vsi s GLN 62 N -3.79 1.71 0.14 4.98 -0.21 -0.79 0.25 119.66 121.95 1vsi s GLN 62 Ca 0.33 -0.39 0.08 0.00 0.02 0.00 0.00 55.36 55.41 1vsi s GLN 62 Cb -0.07 -1.50 -0.04 0.00 1.00 0.00 0.00 33.01 32.40 1vsi s GLN 62 CO 0.23 -0.06 -0.19 0.99 -2.12 0.00 0.00 175.29 174.14 1vsi s THR 63 N 0.96 1.74 0.20 -0.19 2.01 -0.68 -1.65 115.64 118.04 1vsi s THR 63 Ca -0.09 -1.76 -0.23 0.00 0.31 0.00 0.00 61.69 59.92 1vsi s THR 63 Cb -0.15 -1.71 0.05 0.00 0.01 0.00 0.00 72.50 70.70 1vsi s THR 63 CO 0.00 -0.22 0.73 -0.62 -0.69 0.00 0.00 174.62 173.82 1vsi s ASP 64 N -2.36 -0.36 0.04 3.53 2.15 -0.59 -4.46 116.67 114.63 1vsi s ASP 64 Ca 0.12 -0.34 0.06 0.00 0.43 0.00 0.00 52.55 52.82 1vsi s ASP 64 Cb -0.07 0.63 -0.03 0.00 -0.30 0.00 0.00 42.92 43.14 1vsi s ASP 64 CO 0.05 -1.11 -0.15 -0.36 -0.17 0.00 0.00 175.17 173.43 1vsi s PHE 65 N -3.72 2.64 -0.04 -5.34 0.40 -1.26 -0.25 117.98 110.41 1vsi s PHE 65 Ca 0.08 -0.20 -0.04 0.00 -0.60 0.00 0.00 56.93 56.16 1vsi s PHE 65 Cb -0.03 -1.49 0.01 0.00 0.51 0.00 0.00 43.02 42.01 1vsi s PHE 65 CO -0.01 0.29 0.12 -0.08 0.70 0.00 0.00 175.22 176.24 1vsi s THR 66 N -0.96 0.01 0.00 0.64 -1.32 0.87 -4.95 115.64 109.93 1vsi s THR 66 Ca 0.16 -0.05 -0.18 0.00 -1.21 0.00 0.00 61.69 60.41 1vsi s THR 66 Cb -0.11 -0.19 -0.06 0.00 -1.51 0.00 0.00 72.50 70.64 1vsi s THR 66 CO 0.06 -0.03 0.50 -0.22 -2.21 0.00 0.00 174.62 172.73 1vsi s LEU 67 N -0.03 4.45 -0.29 9.08 2.96 -1.26 -0.83 118.68 132.76 1vsi s LEU 67 Ca -0.01 1.07 -0.03 0.00 -0.22 0.00 0.00 54.13 54.94 1vsi s LEU 67 Cb -0.01 -2.76 0.11 0.00 0.50 0.00 0.00 46.19 44.03 1vsi s LEU 67 CO 0.00 0.22 0.18 -0.70 -1.32 0.00 0.00 176.35 174.73 1vsi s GLU 68 N -0.66 0.24 0.63 1.98 2.56 0.23 -4.95 118.70 118.72 1vsi s GLU 68 Ca 0.27 -0.44 0.41 0.00 0.00 0.00 0.00 54.97 55.21 1vsi s GLU 68 Cb -0.18 -1.01 2.11 0.00 2.00 0.00 0.00 34.13 37.05 1vsi s GLU 68 CO 0.15 -1.03 2.25 -1.35 -0.56 0.00 0.00 175.26 174.72 1vsi h PRO 69 N 8.33 0.00 0.00 4.30 0.11 -1.97 0.74 132.00 143.51 1vsi h PRO 69 Ca -0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.94 1vsi h PRO 69 Cb 1.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1vsi h PRO 69 CO 0.40 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.19 1vsi h ARG 70 N 0.00 0.00 -0.63 1.05 3.08 -1.94 -2.39 114.38 113.55 1vsi h ARG 70 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 1vsi h ARG 70 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.19 1vsi h ARG 70 CO 0.00 0.00 0.00 -1.33 -1.07 0.00 0.00 179.97 177.57 1vsi n MET 71 N -2.98 4.30 -2.31 0.04 2.81 0.25 -0.56 117.12 118.68 1vsi n MET 71 Ca 0.00 -2.95 -0.37 0.00 -1.81 0.00 0.00 57.70 52.57 1vsi n MET 71 Cb 0.25 -2.09 -0.01 0.00 -0.71 0.00 0.00 33.22 30.66 1vsi n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1vsi s ALA 72 N -2.32 2.99 -0.30 3.04 0.00 -0.90 -2.17 121.76 122.09 1vsi s ALA 72 Ca 0.52 0.89 0.27 0.00 0.00 0.00 0.00 51.96 53.64 1vsi s ALA 72 Cb 0.37 -3.36 0.90 0.00 0.00 0.00 0.00 23.12 21.02 1vsi s ALA 72 CO 0.19 -0.58 1.79 -1.00 0.00 0.00 0.00 175.76 176.16 1vsi h PRO 73 N 2.10 0.00 -3.44 0.00 0.13 -1.94 -3.46 132.00 125.40 1vsi h PRO 73 Ca -0.49 0.00 -0.77 0.00 -0.87 0.00 0.00 66.00 63.87 1vsi h PRO 73 Cb 1.24 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.17 1vsi h PRO 73 CO 0.60 0.00 1.55 0.54 -0.23 0.00 0.00 178.00 180.47 1vsi n ARG 74 N -2.81 3.85 0.00 0.86 1.74 -0.92 -4.60 116.66 114.78 1vsi n ARG 74 Ca 0.03 -3.89 0.13 0.00 -0.77 0.00 0.00 57.85 53.35 1vsi n ARG 74 Cb 0.38 -2.80 0.47 0.00 -1.02 0.00 0.00 32.46 29.49 1vsi n ARG 74 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1vsi n SER 75 N 3.22 0.64 -4.56 0.55 3.41 -1.13 -4.04 113.62 111.71 1vsi n SER 75 Ca 0.35 -0.55 -0.42 0.00 -0.26 0.00 0.00 58.87 57.98 1vsi n SER 75 Cb 0.36 0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.27 1vsi n SER 75 CO 0.00 0.00 0.00 0.26 -0.16 0.00 0.00 175.04 175.14 1vsi s TRP 76 N -2.61 3.09 -0.21 7.33 0.52 -0.96 0.77 118.94 126.87 1vsi s TRP 76 Ca 0.23 0.26 -0.09 0.00 0.02 0.00 0.00 56.10 56.52 1vsi s TRP 76 Cb 0.19 -3.35 -0.05 0.00 -1.15 0.00 0.00 33.47 29.12 1vsi s TRP 76 CO 0.53 -0.78 0.12 -0.51 0.02 0.00 0.00 176.95 176.33 1vsi s LEU 77 N 2.93 4.03 -0.23 2.99 1.43 -0.01 0.64 118.68 130.46 1vsi s LEU 77 Ca 0.26 0.13 -0.16 0.00 -1.03 0.00 0.00 54.13 53.33 1vsi s LEU 77 Cb -0.14 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 1vsi s LEU 77 CO 0.18 0.13 0.41 0.00 0.23 0.00 0.00 176.35 177.31 1vsi s ALA 78 N 0.64 3.56 -0.06 4.21 0.00 -0.19 -0.09 121.76 129.83 1vsi s ALA 78 Ca 0.06 -0.60 0.03 0.00 0.00 0.00 0.00 51.96 51.45 1vsi s ALA 78 Cb -0.12 -2.70 0.01 0.00 0.00 0.00 0.00 23.12 20.31 1vsi s ALA 78 CO 0.01 -0.46 -0.15 0.08 0.00 0.00 0.00 175.76 175.24 1vsi s VAL 79 N 1.65 1.33 -0.11 0.00 1.01 0.65 -1.65 120.40 123.28 1vsi s VAL 79 Ca 0.19 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.58 1vsi s VAL 79 Cb -0.15 -1.18 0.01 0.00 0.00 0.00 0.00 36.38 35.06 1vsi s VAL 79 CO 0.09 0.39 -0.18 -0.89 0.00 0.00 0.00 175.10 174.51 1vsi s THR 80 N 0.45 1.73 -0.19 3.92 2.01 -0.34 -1.54 115.64 121.68 1vsi s THR 80 Ca -0.12 -0.79 -0.06 0.00 0.31 0.00 0.00 61.69 61.03 1vsi s THR 80 Cb -0.15 -1.55 -0.03 0.00 0.01 0.00 0.00 72.50 70.78 1vsi s THR 80 CO 0.04 0.49 0.02 -0.69 -0.69 0.00 0.00 174.62 173.79 1vsi s VAL 81 N 0.83 4.33 -0.47 3.82 1.01 -0.66 -0.64 120.40 128.62 1vsi s VAL 81 Ca -0.09 -0.19 -0.28 0.00 0.00 0.00 0.00 61.98 61.42 1vsi s VAL 81 Cb -0.16 -2.95 0.03 0.00 0.00 0.00 0.00 36.38 33.31 1vsi s VAL 81 CO -0.00 0.45 1.09 -0.62 0.00 0.00 0.00 175.10 176.01 1vsi s ASP 82 N 0.64 6.60 0.05 3.32 -1.08 -0.38 -1.89 116.67 123.94 1vsi s ASP 82 Ca 0.01 0.39 0.16 0.00 -0.52 0.00 0.00 52.55 52.58 1vsi s ASP 82 Cb -0.14 -2.53 0.67 0.00 -1.46 0.00 0.00 42.92 39.47 1vsi s ASP 82 CO 0.02 -1.20 1.50 0.35 0.52 0.00 0.00 175.17 176.35 1vsi n THR 83 N 6.74 1.00 -0.01 1.71 -2.24 -0.26 -0.07 114.28 121.14 1vsi n THR 83 Ca 0.11 0.26 -0.16 0.00 -2.27 0.00 0.00 64.05 61.98 1vsi n THR 83 Cb 0.49 -1.05 -0.12 0.00 -2.10 0.00 0.00 70.33 67.55 1vsi n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1vsi h ALA 84 N 2.44 0.03 -0.01 6.98 0.00 -1.74 -3.37 119.26 123.58 1vsi h ALA 84 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1vsi h ALA 84 Cb 0.26 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1vsi h ALA 84 CO 0.00 0.21 -0.18 -1.13 0.00 0.00 0.00 179.25 178.15 1vsi n SER 85 N -4.37 1.33 0.00 0.00 3.41 -1.16 -4.96 113.62 107.88 1vsi n SER 85 Ca -0.10 -1.17 0.00 0.00 -0.26 0.00 0.00 58.87 57.34 1vsi n SER 85 Cb 0.60 0.40 0.00 0.00 -0.26 0.00 0.00 64.21 64.95 1vsi n SER 85 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1vsi n SER 86 N -0.11 -0.72 -4.71 4.04 7.64 0.89 -4.98 113.62 115.68 1vsi n SER 86 Ca 0.05 0.00 -0.33 0.00 1.01 0.00 0.00 58.87 59.59 1vsi n SER 86 Cb 0.22 -1.32 0.12 0.00 -1.01 0.00 0.00 64.21 62.22 1vsi n SER 86 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1vsi s ALA 87 N -2.40 1.94 0.01 -0.43 0.00 -1.26 -4.72 121.76 114.91 1vsi s ALA 87 Ca 0.00 0.80 0.05 0.00 0.00 0.00 0.00 51.96 52.81 1vsi s ALA 87 Cb 0.00 -3.47 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 1vsi s ALA 87 CO 0.00 -2.14 -0.16 0.42 0.00 0.00 0.00 175.76 173.88 1vsi s ILE 88 N -2.18 1.28 -0.06 0.00 1.01 -1.26 -1.25 121.20 118.74 1vsi s ILE 88 Ca 0.72 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 60.56 1vsi s ILE 88 Cb -0.27 -1.09 0.01 0.00 0.01 0.00 0.00 42.46 41.11 1vsi s ILE 88 CO 0.49 0.24 -0.13 -0.69 0.00 0.00 0.00 174.94 174.85 1vsi s VAL 89 N -0.55 1.21 0.02 2.92 1.01 0.19 -4.95 120.40 120.24 1vsi s VAL 89 Ca 0.05 -0.53 0.04 0.00 0.00 0.00 0.00 61.98 61.54 1vsi s VAL 89 Cb -0.07 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.20 1vsi s VAL 89 CO 0.00 0.37 -0.13 -0.69 0.00 0.00 0.00 175.10 174.65 1vsi s VAL 90 N 0.55 1.03 0.07 2.92 1.01 -1.26 -1.20 120.40 123.53 1vsi s VAL 90 Ca -0.13 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.04 1vsi s VAL 90 Cb -0.15 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.28 1vsi s VAL 90 CO 0.04 0.09 -0.07 0.42 0.00 0.00 0.00 175.10 175.57 1vsi s THR 91 N -0.67 0.60 0.06 3.92 -4.23 -0.66 -4.98 115.64 109.69 1vsi s THR 91 Ca 0.02 -1.55 0.02 0.00 -1.18 0.00 0.00 61.69 59.01 1vsi s THR 91 Cb -0.07 -1.19 -0.04 0.00 1.34 0.00 0.00 72.50 72.54 1vsi s THR 91 CO 0.01 -0.66 0.08 -1.10 -0.54 0.00 0.00 174.62 172.40 1vsi s GLN 92 N -2.83 2.90 0.05 3.99 -0.21 -1.26 -1.02 119.66 121.28 1vsi s GLN 92 Ca 0.02 -0.66 -0.00 0.00 0.02 0.00 0.00 55.36 54.74 1vsi s GLN 92 Cb -0.01 -2.74 -0.03 0.00 1.00 0.00 0.00 33.01 31.22 1vsi s GLN 92 CO -0.03 0.58 -0.04 -1.01 -2.12 0.00 0.00 175.29 172.67 1vsi s HIS 93 N -1.35 0.51 -0.16 0.91 3.76 0.21 -4.98 115.29 114.19 1vsi s HIS 93 Ca 0.28 -0.85 0.17 0.00 -0.15 0.00 0.00 55.06 54.51 1vsi s HIS 93 Cb -0.12 -0.35 -0.02 0.00 1.11 0.00 0.00 32.58 33.20 1vsi s HIS 93 CO 0.20 -0.27 1.15 0.78 -0.85 0.00 0.00 174.74 175.75 1vsi h GLY 94 N 3.66 0.00 -4.74 -2.22 0.00 -1.84 -2.52 103.07 95.41 1vsi h GLY 94 Ca -0.34 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 46.86 1vsi h GLY 94 CO 0.57 0.00 -0.33 -1.60 0.00 0.00 0.00 176.54 175.18 1vsi s ARG 95 N -2.99 0.56 -0.57 4.80 3.00 -1.26 -4.79 118.95 117.70 1vsi s ARG 95 Ca 0.01 -0.08 -0.26 0.00 -1.00 0.00 0.00 55.73 54.40 1vsi s ARG 95 Cb 0.08 0.25 0.04 0.00 0.00 0.00 0.00 34.95 35.32 1vsi s ARG 95 CO 0.78 -0.14 1.08 0.14 0.00 0.00 0.00 175.30 177.16 1vsi s VAL 96 N -0.98 4.18 0.39 7.11 -7.23 -1.26 -4.76 120.40 117.84 1vsi s VAL 96 Ca -0.11 0.61 0.05 0.00 -1.81 0.00 0.00 61.98 60.73 1vsi s VAL 96 Cb -0.05 -4.65 -0.02 0.00 0.56 0.00 0.00 36.38 32.22 1vsi s VAL 96 CO 0.03 -1.25 0.17 0.42 -0.31 0.00 0.00 175.10 174.16 1vsi s THR 97 N 4.52 0.41 0.15 5.32 -4.23 -1.26 -4.99 115.64 115.56 1vsi s THR 97 Ca 0.37 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.76 1vsi s THR 97 Cb -0.10 -2.38 -0.00 0.00 1.34 0.00 0.00 72.50 71.36 1vsi s THR 97 CO 0.22 0.00 1.56 0.28 -0.54 0.00 0.00 174.62 176.14 1vsi h SER 98 N 1.89 0.91 -0.80 3.99 0.02 -1.94 -2.60 113.55 115.01 1vsi h SER 98 Ca -0.32 -0.36 0.02 0.00 -0.84 0.00 0.00 61.79 60.28 1vsi h SER 98 Cb 1.26 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 63.51 1vsi h SER 98 CO 0.51 1.07 0.53 0.58 -1.14 0.00 0.00 176.83 178.37 1vsi h VAL 99 N 0.75 1.18 -0.84 2.27 2.07 -1.97 0.09 116.25 119.80 1vsi h VAL 99 Ca 0.12 -0.36 0.13 0.00 0.82 0.00 0.00 66.70 67.40 1vsi h VAL 99 Cb 0.67 0.03 -0.09 0.00 -1.52 0.00 0.00 31.29 30.38 1vsi h VAL 99 CO 0.05 0.19 0.44 0.00 0.02 0.00 0.00 177.57 178.27 1vsi h ALA 100 N 1.31 1.24 -0.49 1.67 0.00 -1.76 -1.12 119.26 120.10 1vsi h ALA 100 Ca 0.30 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 55.20 1vsi h ALA 100 Cb -0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1vsi h ALA 100 CO -0.08 -0.04 -0.00 0.00 0.00 0.00 0.00 179.25 179.13 1vsi h ALA 101 N 1.53 0.66 -0.29 0.00 0.00 -1.11 -2.00 119.26 118.05 1vsi h ALA 101 Ca 0.44 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.95 1vsi h ALA 101 Cb 0.57 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1vsi h ALA 101 CO -0.33 0.47 -0.31 1.96 0.00 0.00 0.00 179.25 181.04 1vsi h GLN 102 N 0.73 0.60 -0.42 0.00 4.20 0.11 -1.14 115.11 119.20 1vsi h GLN 102 Ca 0.14 -0.27 -0.11 0.00 0.06 0.00 0.00 58.65 58.48 1vsi h GLN 102 Cb 0.51 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 1vsi h GLN 102 CO 0.03 0.84 -0.16 0.45 -0.67 0.00 0.00 178.83 179.32 1vsi h HIS 103 N 0.51 0.96 0.15 2.96 3.86 -1.19 0.70 115.15 123.11 1vsi h HIS 103 Ca 0.06 -0.23 -0.00 0.00 -1.16 0.00 0.00 60.37 59.04 1vsi h HIS 103 Cb 0.79 -0.23 -0.00 0.00 1.06 0.00 0.00 27.41 29.03 1vsi h HIS 103 CO 0.03 0.98 -0.10 1.25 0.86 0.00 0.00 177.93 180.96 1vsi h HIS 104 N 0.67 -0.26 -0.79 2.45 -0.00 -1.24 -2.42 115.15 113.55 1vsi h HIS 104 Ca 0.10 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.44 1vsi h HIS 104 Cb 0.71 0.10 -0.04 0.00 -0.00 0.00 0.00 27.41 28.18 1vsi h HIS 104 CO 0.05 -0.16 0.37 -1.49 -0.00 0.00 0.00 177.93 176.71 1vsi h TRP 105 N -0.25 1.15 -0.64 5.26 6.55 -0.92 -0.85 115.95 126.24 1vsi h TRP 105 Ca -0.01 -0.06 0.13 0.00 0.95 0.00 0.00 58.89 59.90 1vsi h TRP 105 Cb 0.22 -0.35 -0.11 0.00 -0.86 0.00 0.00 29.16 28.06 1vsi h TRP 105 CO -0.09 0.84 0.01 0.00 -1.05 0.00 0.00 178.44 178.15 1vsi h ALA 106 N 1.19 0.64 -0.07 1.49 0.00 -0.72 0.21 119.26 122.01 1vsi h ALA 106 Ca 0.27 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 1vsi h ALA 106 Cb 0.13 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 1vsi h ALA 106 CO -0.03 -0.39 -0.01 1.15 0.00 0.00 0.00 179.25 179.96 1vsi h THR 107 N 0.12 1.29 -0.66 0.00 2.02 -1.12 -2.34 112.91 112.23 1vsi h THR 107 Ca 0.34 -0.91 0.05 0.00 0.77 0.00 0.00 66.41 66.65 1vsi h THR 107 Cb 0.55 1.77 -0.04 0.00 -1.74 0.00 0.00 68.15 68.69 1vsi h THR 107 CO -0.55 0.25 0.43 0.00 0.37 0.00 0.00 175.52 176.03 1vsi h ALA 108 N 0.67 1.71 -0.37 6.16 0.00 -0.47 -2.15 119.26 124.81 1vsi h ALA 108 Ca 0.02 -0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 1vsi h ALA 108 Cb 0.41 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 1vsi h ALA 108 CO 0.01 0.20 -0.19 0.82 0.00 0.00 0.00 179.25 180.08 1vsi h ILE 109 N 0.71 1.26 -0.20 0.00 2.04 -0.50 1.25 117.51 122.08 1vsi h ILE 109 Ca 0.27 -1.26 -0.06 0.00 1.00 0.00 0.00 64.86 64.81 1vsi h ILE 109 Cb 0.19 1.18 -0.01 0.00 -0.74 0.00 0.00 36.82 37.44 1vsi h ILE 109 CO -0.08 0.42 -0.16 0.00 0.00 0.00 0.00 178.15 178.33 1vsi h ALA 110 N 1.16 1.36 0.15 1.87 0.00 -0.84 0.19 119.26 123.14 1vsi h ALA 110 Ca 0.10 -0.26 -0.27 0.00 0.00 0.00 0.00 54.91 54.47 1vsi h ALA 110 Cb 0.67 -0.11 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1vsi h ALA 110 CO 0.05 0.44 -1.34 0.28 0.00 0.00 0.00 179.25 178.68 1vsi h VAL 111 N 0.31 1.15 -0.00 0.00 2.07 -1.15 -3.40 116.25 115.22 1vsi h VAL 111 Ca 0.06 -2.48 0.00 0.00 0.82 0.00 0.00 66.70 65.10 1vsi h VAL 111 Cb 0.47 2.86 0.00 0.00 -1.52 0.00 0.00 31.29 33.11 1vsi h VAL 111 CO 0.03 0.74 -0.55 0.18 0.02 0.00 0.00 177.57 177.99 1vsi n LEU 112 N -3.90 0.97 0.00 2.57 4.77 0.43 -5.09 117.00 116.76 1vsi n LEU 112 Ca -0.22 -0.59 0.00 0.00 -0.03 0.00 0.00 56.01 55.17 1vsi n LEU 112 Cb 0.93 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.02 1vsi n LEU 112 CO 0.46 0.21 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 1vsi n GLY 113 N 1.26 0.03 3.69 -0.72 0.00 0.65 -4.90 105.19 105.20 1vsi n GLY 113 Ca 0.04 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 1vsi n GLY 113 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1vsi s ARG 114 N -1.85 4.42 0.85 1.61 3.52 -1.26 -4.47 118.95 121.78 1vsi s ARG 114 Ca 0.00 1.17 -0.13 0.00 -0.13 0.00 0.00 55.73 56.64 1vsi s ARG 114 Cb 0.00 -3.51 0.12 0.00 -1.56 0.00 0.00 34.95 30.00 1vsi s ARG 114 CO 0.00 -0.16 1.21 -1.25 -0.81 0.00 0.00 175.30 174.29 1vsi s PRO 115 N 1.52 1.53 -0.08 5.12 0.04 -1.26 -4.98 135.00 136.89 1vsi s PRO 115 Ca 0.44 -0.12 0.08 0.00 0.04 0.00 0.00 61.00 61.44 1vsi s PRO 115 Cb -0.18 -1.94 -0.24 0.00 0.04 0.00 0.00 34.50 32.18 1vsi s PRO 115 CO 0.19 -1.84 0.53 1.63 0.04 0.00 0.00 177.00 177.54 1vsi n LYS 116 N -3.43 0.67 -3.75 4.56 4.76 0.38 -4.77 118.16 116.58 1vsi n LYS 116 Ca 0.11 0.26 -0.10 0.00 -2.87 0.00 0.00 58.31 55.71 1vsi n LYS 116 Cb 0.60 -1.75 -0.06 0.00 -1.84 0.00 0.00 35.03 31.99 1vsi n LYS 116 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1vsi s ALA 117 N -2.58 -0.59 -0.04 7.82 0.00 -1.15 -1.64 121.76 123.59 1vsi s ALA 117 Ca -0.10 -0.28 0.03 0.00 0.00 0.00 0.00 51.96 51.61 1vsi s ALA 117 Cb 0.08 0.54 0.00 0.00 0.00 0.00 0.00 23.12 23.74 1vsi s ALA 117 CO 0.81 -0.54 -0.12 0.42 0.00 0.00 0.00 175.76 176.32 1vsi s ILE 118 N -3.60 1.06 -0.16 0.00 1.01 0.38 -0.91 121.20 118.98 1vsi s ILE 118 Ca 0.02 -0.50 -0.05 0.00 0.00 0.00 0.00 60.65 60.13 1vsi s ILE 118 Cb 0.03 -0.93 -0.03 0.00 0.01 0.00 0.00 42.46 41.54 1vsi s ILE 118 CO -0.10 0.32 -0.02 -0.54 0.00 0.00 0.00 174.94 174.60 1vsi s LYS 119 N 0.23 3.74 0.29 2.79 1.02 0.14 -1.77 119.74 126.17 1vsi s LYS 119 Ca -0.05 -0.48 0.02 0.00 0.02 0.00 0.00 55.97 55.48 1vsi s LYS 119 Cb -0.11 -2.98 -0.05 0.00 -0.52 0.00 0.00 37.83 34.17 1vsi s LYS 119 CO 0.02 0.24 0.12 0.95 -0.92 0.00 0.00 175.35 175.75 1vsi s THR 120 N 0.38 0.55 0.00 2.17 -4.23 -1.03 -1.69 115.64 111.80 1vsi s THR 120 Ca -0.02 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 58.49 1vsi s THR 120 Cb -0.14 -2.59 0.00 0.00 1.34 0.00 0.00 72.50 71.11 1vsi s THR 120 CO 0.02 0.00 0.00 -0.90 -0.54 0.00 0.00 174.62 173.20 1vsi n ASP 121 N -0.71 0.00 -1.24 3.99 5.68 -1.26 -4.05 116.55 118.95 1vsi n ASP 121 Ca -0.00 -0.67 0.06 0.00 -0.50 0.00 0.00 54.79 53.67 1vsi n ASP 121 Cb 0.66 0.00 0.25 0.00 -1.14 0.00 0.00 41.12 40.89 1vsi n ASP 121 CO 0.00 0.00 0.00 0.59 -1.33 0.00 0.00 177.20 176.46 1vsi n ASN 122 N -2.02 3.61 -3.57 -1.12 4.13 -1.26 -4.83 115.26 110.20 1vsi n ASN 122 Ca 0.00 -2.39 -0.33 0.00 1.68 0.00 0.00 54.58 53.53 1vsi n ASN 122 Cb 0.00 -0.52 0.00 0.00 -1.54 0.00 0.00 39.78 37.73 1vsi n ASN 122 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1vsi n GLY 123 N 0.75 -2.56 2.34 7.41 0.00 -1.26 -4.66 105.19 107.21 1vsi n GLY 123 Ca 0.18 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.87 1vsi n GLY 123 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1vsi n SER 124 N 2.05 5.70 0.00 1.61 3.41 -1.26 -2.95 113.62 122.18 1vsi n SER 124 Ca 0.08 -2.37 0.00 0.00 -0.26 0.00 0.00 58.87 56.32 1vsi n SER 124 Cb 0.37 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.10 1vsi n SER 124 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1vsi n PHE 126 N 3.44 0.00 -0.07 7.33 3.72 -1.26 -2.10 117.46 128.52 1vsi n PHE 126 Ca 0.50 0.00 0.03 0.00 -0.05 0.00 0.00 57.45 57.94 1vsi n PHE 126 Cb 0.37 0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.00 1vsi n PHE 126 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1vsi n THR 127 N 0.00 0.91 -0.78 4.37 -2.24 -1.15 -4.63 114.28 110.76 1vsi n THR 127 Ca 0.00 -0.96 -0.30 0.00 -2.27 0.00 0.00 64.05 60.52 1vsi n THR 127 Cb 0.00 0.56 0.18 0.00 -2.10 0.00 0.00 70.33 68.97 1vsi n THR 127 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1vsi s SER 128 N -0.96 2.52 0.23 3.42 1.04 -0.89 -4.76 113.70 114.29 1vsi s SER 128 Ca 0.14 1.83 -0.06 0.00 0.48 0.00 0.00 55.95 58.34 1vsi s SER 128 Cb 0.07 -2.42 0.35 0.00 0.10 0.00 0.00 66.02 64.12 1vsi s SER 128 CO 0.10 -3.29 1.79 0.11 0.98 0.00 0.00 173.24 172.92 1vsi h LYS 129 N -2.00 0.64 0.14 4.02 1.79 -1.94 -1.63 116.57 117.59 1vsi h LYS 129 Ca -0.50 -0.04 0.01 0.00 -2.18 0.00 0.00 60.65 57.94 1vsi h LYS 129 Cb 1.29 -0.14 -0.03 0.00 -1.58 0.00 0.00 32.23 31.77 1vsi h LYS 129 CO 0.47 0.42 -0.22 1.03 -1.08 0.00 0.00 179.45 180.08 1vsi h SER 130 N 0.66 -0.60 -0.71 0.86 0.87 -1.98 -0.56 113.55 112.08 1vsi h SER 130 Ca 0.36 0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 60.92 1vsi h SER 130 Cb 0.35 0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 1vsi h SER 130 CO -0.26 -0.31 0.19 0.74 -0.53 0.00 0.00 176.83 176.67 1vsi h THR 131 N -0.42 1.26 -0.31 2.23 2.02 -1.81 -0.44 112.91 115.44 1vsi h THR 131 Ca 0.02 -0.95 -0.05 0.00 0.77 0.00 0.00 66.41 66.20 1vsi h THR 131 Cb 0.43 0.52 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1vsi h THR 131 CO -0.10 0.37 -0.04 0.03 0.37 0.00 0.00 175.52 176.15 1vsi h ARG 132 N 1.07 0.48 -0.08 6.66 3.08 -0.91 -2.39 114.38 122.29 1vsi h ARG 132 Ca 0.23 -0.11 -0.24 0.00 0.07 0.00 0.00 59.98 59.93 1vsi h ARG 132 Cb 0.35 -0.07 0.01 0.00 0.08 0.00 0.00 29.97 30.35 1vsi h ARG 132 CO -0.00 0.54 -0.89 1.49 -1.07 0.00 0.00 179.97 180.03 1vsi h GLU 133 N 0.46 0.70 -0.49 0.04 4.57 -0.81 -0.91 114.58 118.15 1vsi h GLU 133 Ca 0.10 -0.65 -0.01 0.00 -1.18 0.00 0.00 59.36 57.62 1vsi h GLU 133 Cb 0.36 0.16 -0.02 0.00 -0.16 0.00 0.00 28.75 29.09 1vsi h GLU 133 CO 0.01 1.25 0.27 2.35 -1.18 0.00 0.00 179.01 181.72 1vsi h TRP 134 N 0.44 0.66 -0.39 0.92 7.01 -0.72 -0.43 115.95 123.43 1vsi h TRP 134 Ca -0.08 -0.01 -0.13 0.00 2.11 0.00 0.00 58.89 60.77 1vsi h TRP 134 Cb 1.53 -0.21 -0.01 0.00 -2.10 0.00 0.00 29.16 28.36 1vsi h TRP 134 CO 0.09 0.49 -0.27 -0.07 -2.79 0.00 0.00 178.44 175.88 1vsi h LEU 135 N 0.64 0.86 -0.27 0.65 3.38 -1.48 -2.81 115.31 116.29 1vsi h LEU 135 Ca 0.17 -0.34 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1vsi h LEU 135 Cb 0.04 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1vsi h LEU 135 CO -0.03 1.08 0.10 0.00 0.09 0.00 0.00 178.44 179.68 1vsi h ALA 136 N 0.97 0.35 -0.29 1.53 0.00 -0.69 -1.11 119.26 120.02 1vsi h ALA 136 Ca 0.09 -0.13 0.08 0.00 0.00 0.00 0.00 54.91 54.95 1vsi h ALA 136 Cb 0.82 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 1vsi h ALA 136 CO 0.07 -0.05 0.21 -0.09 0.00 0.00 0.00 179.25 179.40 1vsi h ARG 137 N 0.27 0.00 0.00 0.00 2.43 -0.94 -1.84 114.38 114.30 1vsi h ARG 137 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1vsi h ARG 137 Cb 0.20 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.75 1vsi h ARG 137 CO -0.01 0.00 -0.66 -1.49 -1.51 0.00 0.00 179.97 176.31 1vsi h TRP 138 N 0.00 0.00 0.00 2.20 4.06 -1.19 -3.48 115.95 117.54 1vsi h TRP 138 Ca 0.14 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.09 1vsi h TRP 138 Cb 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.72 1vsi h TRP 138 CO 0.00 0.00 0.00 0.41 -3.56 0.00 0.00 178.44 175.29 1vsi n GLY 139 N 1.26 0.61 3.82 1.49 0.00 -0.50 -5.05 105.19 106.81 1vsi n GLY 139 Ca 0.02 -0.78 -0.36 0.00 0.00 0.00 0.00 46.02 44.90 1vsi n GLY 139 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vsi s ILE 140 N -2.00 5.33 0.34 -0.61 1.01 -0.72 -4.99 121.20 119.56 1vsi s ILE 140 Ca 0.00 0.15 -0.17 0.00 0.00 0.00 0.00 60.65 60.63 1vsi s ILE 140 Cb 0.00 -3.34 -0.09 0.00 0.01 0.00 0.00 42.46 39.03 1vsi s ILE 140 CO 0.00 0.58 0.79 0.00 0.00 0.00 0.00 174.94 176.31 1vsi s ALA 141 N -0.67 3.26 -0.03 9.38 0.00 -0.65 -4.48 121.76 128.56 1vsi s ALA 141 Ca 0.13 0.15 0.05 0.00 0.00 0.00 0.00 51.96 52.29 1vsi s ALA 141 Cb -0.12 -2.88 -0.01 0.00 0.00 0.00 0.00 23.12 20.12 1vsi s ALA 141 CO 0.02 0.28 -0.17 -1.58 0.00 0.00 0.00 175.76 174.32 1vsi s HIS 142 N -1.97 1.62 0.02 0.00 2.46 -1.26 -0.47 115.29 115.70 1vsi s HIS 142 Ca 0.55 -0.41 0.01 0.00 0.47 0.00 0.00 55.06 55.67 1vsi s HIS 142 Cb -0.11 -1.08 -0.02 0.00 -0.13 0.00 0.00 32.58 31.24 1vsi s HIS 142 CO 0.17 -0.11 -0.04 -0.08 -2.47 0.00 0.00 174.74 172.20 1vsi s THR 143 N -0.11 0.22 -0.28 0.89 -1.32 -0.73 -4.96 115.64 109.35 1vsi s THR 143 Ca -0.00 -0.86 0.14 0.00 -1.21 0.00 0.00 61.69 59.75 1vsi s THR 143 Cb -0.10 -0.33 0.33 0.00 -1.51 0.00 0.00 72.50 70.90 1vsi s THR 143 CO 0.01 -0.41 1.24 0.35 -2.21 0.00 0.00 174.62 173.60 1vsi n THR 144 N 1.72 1.73 -0.33 5.08 -2.24 -1.26 -2.47 114.28 116.52 1vsi n THR 144 Ca -0.22 -1.69 0.00 0.00 -2.27 0.00 0.00 64.05 59.87 1vsi n THR 144 Cb 0.55 0.01 0.00 0.00 -2.10 0.00 0.00 70.33 68.80 1vsi n THR 144 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1vsi n GLY 145 N -0.59 1.56 3.64 3.38 0.00 -1.26 -4.73 105.19 107.19 1vsi n GLY 145 Ca 0.15 -0.49 -0.34 0.00 0.00 0.00 0.00 46.02 45.34 1vsi n GLY 145 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1vsi s ILE 146 N 0.00 4.03 -1.13 -0.61 1.09 -1.26 -5.03 121.20 118.29 1vsi s ILE 146 Ca 0.00 -0.40 -0.24 0.00 -1.10 0.00 0.00 60.65 58.92 1vsi s ILE 146 Cb 0.00 -2.69 -0.12 0.00 -1.06 0.00 0.00 42.46 38.59 1vsi s ILE 146 CO 0.00 0.57 1.96 -0.81 -0.10 0.00 0.00 174.94 176.56 1vsi n PRO 147 N 2.07 1.30 0.00 2.79 -0.04 -1.26 -0.28 135.00 139.58 1vsi n PRO 147 Ca -0.18 -2.28 0.00 0.00 -0.04 0.00 0.00 63.50 61.01 1vsi n PRO 147 Cb 0.53 -3.71 0.00 0.00 -0.04 0.00 0.00 33.50 30.29 1vsi n PRO 147 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1vsi n GLY 148 N 5.76 1.36 0.37 0.55 0.00 -1.26 -5.04 105.19 106.93 1vsi n GLY 148 Ca 0.45 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.38 1vsi n GLY 148 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1vsi n ASN 149 N 0.00 -0.89 0.00 1.61 5.15 0.61 -4.83 115.26 116.91 1vsi n ASN 149 Ca 0.00 1.59 0.00 0.00 -0.60 0.00 0.00 54.58 55.57 1vsi n ASN 149 Cb 0.00 -0.23 0.00 0.00 -0.53 0.00 0.00 39.78 39.02 1vsi n ASN 149 CO 0.00 0.00 0.00 -0.24 1.40 0.00 0.00 177.26 178.42 1vsi n SER 150 N -5.16 0.00 0.00 1.20 2.88 -1.26 -4.71 113.62 106.58 1vsi n SER 150 Ca 0.03 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.57 1vsi n SER 150 Cb 0.25 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.71 1vsi n SER 150 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1vsi n GLN 151 N 0.00 3.78 0.00 -1.46 6.02 -1.26 -4.91 117.38 119.55 1vsi n GLN 151 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1vsi n GLN 151 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1vsi n GLN 151 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1vsi n GLY 152 N 5.00 2.31 0.11 1.08 0.00 -1.26 -4.71 105.19 107.72 1vsi n GLY 152 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1vsi n GLY 152 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1vsi n GLN 153 N -2.00 1.27 0.00 1.61 1.13 -1.26 -4.87 117.38 113.27 1vsi n GLN 153 Ca 0.00 -1.42 0.10 0.00 -1.94 0.00 0.00 57.00 53.73 1vsi n GLN 153 Cb 0.00 -0.90 0.52 0.00 0.11 0.00 0.00 30.24 29.96 1vsi n GLN 153 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1vsi h ALA 154 N 0.00 1.97 -0.25 -1.58 0.00 -1.94 -2.64 119.26 114.81 1vsi h ALA 154 Ca 0.00 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 1vsi h ALA 154 Cb 0.92 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 1vsi h ALA 154 CO 0.00 -0.05 -0.34 0.52 0.00 0.00 0.00 179.25 179.39 1vsi h MET 155 N 0.35 0.67 -0.18 0.00 2.86 -1.99 -1.94 114.93 114.71 1vsi h MET 155 Ca 0.19 -0.39 -0.04 0.00 -2.06 0.00 0.00 59.70 57.40 1vsi h MET 155 Cb 0.32 0.03 -0.01 0.00 0.06 0.00 0.00 31.60 32.00 1vsi h MET 155 CO -0.04 1.00 -0.09 -0.24 1.06 0.00 0.00 176.91 178.60 1vsi h VAL 156 N 0.39 1.17 -0.02 -2.22 3.04 -1.80 0.10 116.25 116.90 1vsi h VAL 156 Ca 0.03 -0.72 -0.17 0.00 -1.01 0.00 0.00 66.70 64.84 1vsi h VAL 156 Cb 0.92 1.14 -0.01 0.00 -2.01 0.00 0.00 31.29 31.32 1vsi h VAL 156 CO 0.08 0.23 -0.74 -0.33 -1.01 0.00 0.00 177.57 175.80 1vsi h GLU 157 N 0.26 0.17 -0.30 4.17 5.08 -1.42 -1.21 114.58 121.33 1vsi h GLU 157 Ca 0.06 -0.15 -0.18 0.00 -1.00 0.00 0.00 59.36 58.09 1vsi h GLU 157 Cb 0.33 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.61 1vsi h GLU 157 CO 0.02 0.83 -0.50 -0.09 -1.00 0.00 0.00 179.01 178.26 1vsi h ARG 158 N 0.11 0.87 -0.24 2.33 2.43 -0.97 -2.81 114.38 116.09 1vsi h ARG 158 Ca -0.02 -0.54 0.03 0.00 -0.81 0.00 0.00 59.98 58.65 1vsi h ARG 158 Cb 1.30 0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.87 1vsi h ARG 158 CO 0.11 1.17 0.05 0.00 -1.51 0.00 0.00 179.97 179.79 1vsi h ALA 159 N 0.69 0.25 0.01 2.80 0.00 -0.74 0.13 119.26 122.39 1vsi h ALA 159 Ca 0.02 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1vsi h ALA 159 Cb 1.11 0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.91 1vsi h ALA 159 CO 0.11 -0.37 -0.34 -0.91 0.00 0.00 0.00 179.25 177.74 1vsi h ASN 160 N 0.14 -1.03 0.06 0.00 2.35 -1.22 0.81 115.58 116.69 1vsi h ASN 160 Ca 0.11 0.13 -0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1vsi h ASN 160 Cb 0.11 0.41 0.00 0.00 0.05 0.00 0.00 38.32 38.89 1vsi h ASN 160 CO -0.15 -0.40 -0.03 -0.09 -1.65 0.00 0.00 177.43 175.11 1vsi h ARG 161 N -0.50 -0.08 -0.87 0.81 2.43 -1.22 -0.55 114.38 114.41 1vsi h ARG 161 Ca 0.06 0.01 0.04 0.00 -0.81 0.00 0.00 59.98 59.27 1vsi h ARG 161 Cb 0.58 0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.10 1vsi h ARG 161 CO -0.28 0.04 0.57 -0.07 -1.51 0.00 0.00 179.97 178.72 1vsi h LEU 162 N -0.17 0.92 0.45 3.80 3.38 -0.39 -2.35 115.31 120.95 1vsi h LEU 162 Ca -0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 1vsi h LEU 162 Cb 0.15 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1vsi h LEU 162 CO 0.01 0.63 -0.21 0.25 0.09 0.00 0.00 178.44 179.21 1vsi h LEU 163 N 1.07 -0.51 -1.76 1.67 5.85 -0.62 -1.06 115.31 119.95 1vsi h LEU 163 Ca 0.35 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 59.06 1vsi h LEU 163 Cb 0.06 0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1vsi h LEU 163 CO -0.11 -0.33 0.13 0.11 -0.34 0.00 0.00 178.44 177.90 1vsi h LYS 164 N -0.64 0.29 -0.38 1.25 1.57 -0.93 -0.09 116.57 117.63 1vsi h LYS 164 Ca -0.06 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1vsi h LYS 164 Cb 0.48 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 1vsi h LYS 164 CO 0.10 0.21 -0.07 0.22 -0.57 0.00 0.00 179.45 179.33 1vsi h ASP 165 N 0.29 0.72 -0.49 0.86 3.58 -1.20 -0.16 116.42 120.03 1vsi h ASP 165 Ca 0.08 -0.35 -0.05 0.00 0.42 0.00 0.00 57.03 57.12 1vsi h ASP 165 Cb -0.01 -0.20 -0.02 0.00 1.72 0.00 0.00 39.33 40.82 1vsi h ASP 165 CO -0.01 0.91 0.12 0.50 -2.88 0.00 0.00 179.24 177.88 1vsi h LYS 166 N 0.53 0.84 -0.05 0.28 1.63 -0.53 -1.39 116.57 117.89 1vsi h LYS 166 Ca 0.10 -0.17 -0.00 0.00 -0.85 0.00 0.00 60.65 59.72 1vsi h LYS 166 Cb 0.58 -0.12 -0.00 0.00 -0.60 0.00 0.00 32.23 32.09 1vsi h LYS 166 CO 0.03 0.76 0.01 0.82 -3.45 0.00 0.00 179.45 177.62 1vsi h ILE 167 N 0.81 1.20 -0.48 2.00 2.04 -0.88 0.27 117.51 122.47 1vsi h ILE 167 Ca 0.18 -0.60 0.03 0.00 1.00 0.00 0.00 64.86 65.47 1vsi h ILE 167 Cb 0.31 1.51 -0.04 0.00 -0.74 0.00 0.00 36.82 37.86 1vsi h ILE 167 CO -0.00 0.16 0.26 -0.09 0.00 0.00 0.00 178.15 178.48 1vsi h ARG 168 N -0.15 0.49 -0.47 2.37 2.43 -0.84 0.14 114.38 118.35 1vsi h ARG 168 Ca 0.01 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.04 1vsi h ARG 168 Cb 0.25 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 1vsi h ARG 168 CO 0.00 0.33 -0.16 -0.39 -1.51 0.00 0.00 179.97 178.24 1vsi h VAL 169 N 0.51 1.27 -0.39 0.20 -1.51 -1.05 -0.53 116.25 114.75 1vsi h VAL 169 Ca 0.21 -1.30 -0.12 0.00 -1.23 0.00 0.00 66.70 64.25 1vsi h VAL 169 Cb 0.09 1.12 -0.01 0.00 -2.13 0.00 0.00 31.29 30.35 1vsi h VAL 169 CO -0.13 0.45 -0.23 -0.07 -1.23 0.00 0.00 177.57 176.36 1vsi h LEU 170 N 0.79 0.80 -0.24 4.19 3.38 -0.09 -1.51 115.31 122.63 1vsi h LEU 170 Ca 0.11 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1vsi h LEU 170 Cb 0.72 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1vsi h LEU 170 CO 0.06 1.01 0.10 0.00 0.09 0.00 0.00 178.44 179.70 1vsi h ALA 171 N 1.05 0.30 -0.16 1.53 0.00 -0.54 -1.63 119.26 119.82 1vsi h ALA 171 Ca 0.09 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 1vsi h ALA 171 Cb 0.75 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 1vsi h ALA 171 CO 0.06 -0.12 -0.26 0.93 0.00 0.00 0.00 179.25 179.86 1vsi h GLU 172 N 0.24 0.29 0.00 0.00 5.08 -1.09 0.49 114.58 119.59 1vsi h GLU 172 Ca 0.08 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1vsi h GLU 172 Cb 0.14 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.37 1vsi h GLU 172 CO -0.01 0.54 -0.10 0.78 -1.00 0.00 0.00 179.01 179.22 1vsi h GLY 173 N 1.00 0.00 -0.00 -3.84 0.00 -0.29 -0.16 103.07 99.77 1vsi h GLY 173 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1vsi h GLY 173 CO 0.04 0.00 -0.07 1.22 0.00 0.00 0.00 176.54 177.74 1vsi n ASP 174 N -4.22 1.12 0.00 0.19 8.00 -0.72 -4.91 116.55 116.01 1vsi n ASP 174 Ca -0.03 -1.22 0.00 0.00 0.71 0.00 0.00 54.79 54.26 1vsi n ASP 174 Cb 0.18 0.02 0.00 0.00 -0.02 0.00 0.00 41.12 41.30 1vsi n ASP 174 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1vsi n GLY 175 N 1.20 0.73 3.25 0.44 0.00 -0.07 -5.03 105.19 105.72 1vsi n GLY 175 Ca 0.18 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.51 1vsi n GLY 175 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1vsi s PHE 176 N -2.00 3.36 -1.11 1.61 0.08 0.08 -4.90 117.98 115.10 1vsi s PHE 176 Ca 0.00 -1.62 0.25 0.00 0.12 0.00 0.00 56.93 55.67 1vsi s PHE 176 Cb 0.00 -3.05 0.42 0.00 -0.57 0.00 0.00 43.02 39.82 1vsi s PHE 176 CO 0.00 -0.88 1.35 -1.33 -0.10 0.00 0.00 175.22 174.27 1vsi n MET 177 N 4.90 0.12 0.00 0.44 2.81 -1.26 -3.46 117.12 120.67 1vsi n MET 177 Ca -0.09 -0.08 0.00 0.00 -1.81 0.00 0.00 57.70 55.72 1vsi n MET 177 Cb 0.42 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.44 1vsi n MET 177 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1vsi n LYS 178 N -1.37 0.00 -2.19 0.03 4.76 -1.26 -5.07 118.16 113.06 1vsi n LYS 178 Ca 0.06 0.00 -0.33 0.00 -2.87 0.00 0.00 58.31 55.17 1vsi n LYS 178 Cb 0.34 0.00 -0.00 0.00 -1.84 0.00 0.00 35.03 33.53 1vsi n LYS 178 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1vsi s ARG 179 N 3.65 3.41 -0.07 1.97 3.52 -1.26 -4.72 118.95 125.44 1vsi s ARG 179 Ca 0.00 1.32 -0.17 0.00 -0.13 0.00 0.00 55.73 56.75 1vsi s ARG 179 Cb 0.00 -2.04 -0.05 0.00 -1.56 0.00 0.00 34.95 31.30 1vsi s ARG 179 CO 0.00 -0.75 0.47 0.42 -0.81 0.00 0.00 175.30 174.63 1vsi s ILE 180 N -2.21 5.11 0.36 4.11 1.01 0.28 -4.99 121.20 124.87 1vsi s ILE 180 Ca 0.66 0.95 -0.24 0.00 0.00 0.00 0.00 60.65 62.02 1vsi s ILE 180 Cb -0.18 -3.80 -0.14 0.00 0.01 0.00 0.00 42.46 38.35 1vsi s ILE 180 CO 0.31 0.41 0.48 -2.65 0.00 0.00 0.00 174.94 173.48 1vsi n PRO 181 N 3.04 0.40 -0.25 2.79 -0.02 -1.26 -4.72 135.00 134.98 1vsi n PRO 181 Ca -0.09 0.14 -0.05 0.00 -2.02 0.00 0.00 63.50 61.48 1vsi n PRO 181 Cb 0.52 -1.32 0.10 0.00 -0.02 0.00 0.00 33.50 32.77 1vsi n PRO 181 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 1vsi h THR 182 N 0.84 1.25 0.00 3.45 2.02 -1.94 -2.21 112.91 116.32 1vsi h THR 182 Ca -0.37 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 65.96 1vsi h THR 182 Cb 1.41 0.41 -0.00 0.00 -1.74 0.00 0.00 68.15 68.23 1vsi h THR 182 CO 0.52 0.33 -0.06 0.77 0.37 0.00 0.00 175.52 177.46 1vsi h SER 183 N 1.08 0.00 0.32 4.18 4.64 -2.01 -3.03 113.55 118.73 1vsi h SER 183 Ca 0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 1vsi h SER 183 Cb 0.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.34 1vsi h SER 183 CO -0.02 0.06 -1.36 0.29 -0.87 0.00 0.00 176.83 174.93 1vsi n LYS 184 N -3.38 0.43 -0.23 4.77 4.76 -0.85 -4.57 118.16 119.09 1vsi n LYS 184 Ca -0.02 -0.05 -0.04 0.00 -2.87 0.00 0.00 58.31 55.34 1vsi n LYS 184 Cb 0.20 -1.59 0.07 0.00 -1.84 0.00 0.00 35.03 31.87 1vsi n LYS 184 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1vsi h GLN 185 N 0.00 0.78 -0.47 1.97 4.20 -1.38 -3.08 115.11 117.13 1vsi h GLN 185 Ca 0.00 -0.05 0.09 0.00 0.06 0.00 0.00 58.65 58.76 1vsi h GLN 185 Cb 0.84 -0.18 -0.10 0.00 0.30 0.00 0.00 27.48 28.34 1vsi h GLN 185 CO 0.00 0.52 -0.26 0.78 -0.67 0.00 0.00 178.83 179.19 1vsi h GLY 186 N 0.80 -0.01 1.84 3.46 0.00 -1.80 0.32 103.07 107.68 1vsi h GLY 186 Ca 0.27 0.34 -0.21 0.00 0.00 0.00 0.00 47.33 47.72 1vsi h GLY 186 CO -0.11 -0.21 -0.97 0.83 0.00 0.00 0.00 176.54 176.08 1vsi h GLU 187 N -0.16 0.13 -0.14 4.80 5.08 -1.87 -1.69 114.58 120.72 1vsi h GLU 187 Ca 0.21 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 1vsi h GLU 187 Cb 0.50 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 1vsi h GLU 187 CO -0.57 0.99 0.03 1.25 -1.00 0.00 0.00 179.01 179.72 1vsi h LEU 188 N 0.06 0.22 -0.73 1.33 6.46 -1.39 0.32 115.31 121.58 1vsi h LEU 188 Ca -0.05 -0.24 -0.02 0.00 -0.12 0.00 0.00 57.88 57.46 1vsi h LEU 188 Cb 1.65 -0.06 -0.03 0.00 -0.73 0.00 0.00 40.66 41.49 1vsi h LEU 188 CO 0.14 0.40 0.37 0.25 -0.62 0.00 0.00 178.44 178.97 1vsi h LEU 189 N 0.03 0.94 -0.27 2.25 5.85 -0.36 -1.02 115.31 122.73 1vsi h LEU 189 Ca 0.04 -0.12 0.02 0.00 0.84 0.00 0.00 57.88 58.67 1vsi h LEU 189 Cb 0.27 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 1vsi h LEU 189 CO 0.00 0.80 0.11 0.00 -0.34 0.00 0.00 178.44 179.01 1vsi h ALA 190 N 1.18 0.32 -0.71 1.25 0.00 -0.91 -2.63 119.26 117.76 1vsi h ALA 190 Ca 0.25 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.23 1vsi h ALA 190 Cb 0.09 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1vsi h ALA 190 CO -0.03 -0.29 0.43 -0.22 0.00 0.00 0.00 179.25 179.13 1vsi h LYS 191 N 0.25 0.78 -0.46 0.00 3.64 0.02 -1.00 116.57 119.80 1vsi h LYS 191 Ca 0.12 -0.05 0.02 0.00 -1.27 0.00 0.00 60.65 59.47 1vsi h LYS 191 Cb 0.06 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 1vsi h LYS 191 CO -0.10 0.52 0.27 0.00 -2.27 0.00 0.00 179.45 177.87 1vsi h ALA 192 N 1.34 0.58 -0.61 5.00 0.00 -0.88 0.01 119.26 124.70 1vsi h ALA 192 Ca 0.30 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.11 1vsi h ALA 192 Cb 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1vsi h ALA 192 CO -0.15 -0.04 0.03 1.98 0.00 0.00 0.00 179.25 181.07 1vsi h MET 193 N 0.55 1.06 0.36 0.00 1.85 -1.31 -1.97 114.93 115.46 1vsi h MET 193 Ca 0.18 -0.32 -0.01 0.00 -0.61 0.00 0.00 59.70 58.94 1vsi h MET 193 Cb 0.01 -0.10 -0.02 0.00 0.43 0.00 0.00 31.60 31.92 1vsi h MET 193 CO -0.08 1.02 -0.29 -0.92 -0.40 0.00 0.00 176.91 176.23 1vsi h TYR 194 N 0.96 -0.78 -0.64 1.39 3.20 -0.90 -0.77 116.97 119.43 1vsi h TYR 194 Ca 0.18 0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.09 1vsi h TYR 194 Cb 0.52 0.30 -0.04 0.00 1.54 0.00 0.00 36.73 39.05 1vsi h TYR 194 CO 0.04 -0.43 0.42 0.00 -1.64 0.00 0.00 178.16 176.55 1vsi h ALA 195 N -0.12 1.69 0.00 1.82 0.00 -0.91 0.05 119.26 121.79 1vsi h ALA 195 Ca -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1vsi h ALA 195 Cb 0.58 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.17 1vsi h ALA 195 CO -0.02 0.24 -0.39 1.28 0.00 0.00 0.00 179.25 180.35 1vsi n LEU 196 N -4.47 0.58 -0.07 0.00 4.77 -0.75 -4.24 117.00 112.83 1vsi n LEU 196 Ca 0.08 0.28 -0.07 0.00 -0.03 0.00 0.00 56.01 56.27 1vsi n LEU 196 Cb 0.16 -0.27 -0.11 0.00 -2.33 0.00 0.00 43.42 40.87 1vsi n LEU 196 CO 0.35 -0.03 -0.94 0.59 -1.33 0.00 0.00 177.39 176.02 1vsi n ASN 197 N -1.91 1.67 0.00 -1.43 3.02 -0.31 -4.88 115.26 111.42 1vsi n ASN 197 Ca 0.05 -0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.60 1vsi n ASN 197 Cb 0.40 0.81 0.00 0.00 -0.61 0.00 0.00 39.78 40.38 1vsi n ASN 197 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1vsi n HIS 198 N -2.51 0.00 0.86 3.10 8.25 -0.10 -5.00 115.22 119.81 1vsi n HIS 198 Ca -0.22 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.34 1vsi n HIS 198 Cb 0.94 0.00 0.09 0.00 1.12 0.00 0.00 29.99 32.14 1vsi n HIS 198 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17