#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hk0 s GLN 110 N 0.00 0.73 0.19 -1.58 -0.21 -0.21 -4.98 119.66 113.61 3hk0 s GLN 110 Ca 0.00 0.99 -0.16 0.00 0.02 0.00 0.00 55.36 56.20 3hk0 s GLN 110 Cb 0.00 0.30 -0.08 0.00 1.00 0.00 0.00 33.01 34.23 3hk0 s GLN 110 CO 0.00 -0.11 0.63 -0.51 -2.12 0.00 0.00 175.29 173.18 3hk0 s ASP 111 N 0.72 6.92 -0.03 5.90 1.01 -1.26 0.13 116.67 130.05 3hk0 s ASP 111 Ca -0.03 1.23 -0.07 0.00 0.71 0.00 0.00 52.55 54.39 3hk0 s ASP 111 Cb -0.05 -2.35 0.01 0.00 1.01 0.00 0.00 42.92 41.54 3hk0 s ASP 111 CO -0.05 0.05 0.16 0.54 0.21 0.00 0.00 175.17 176.08 3hk0 s VAL 112 N -1.53 0.04 -0.25 -1.27 0.11 -0.17 -4.89 120.40 112.44 3hk0 s VAL 112 Ca 0.41 -0.32 -0.09 0.00 -2.93 0.00 0.00 61.98 59.05 3hk0 s VAL 112 Cb -0.15 -0.34 -0.04 0.00 -1.53 0.00 0.00 36.38 34.32 3hk0 s VAL 112 CO 0.20 -0.18 0.13 -1.59 -3.33 0.00 0.00 175.10 170.33 3hk0 s LYS 113 N -0.60 3.88 -0.19 1.54 0.00 -1.26 -0.73 119.74 122.39 3hk0 s LYS 113 Ca -0.07 -0.36 -0.00 0.00 0.00 0.00 0.00 55.97 55.53 3hk0 s LYS 113 Cb -0.04 -3.47 0.01 0.00 0.00 0.00 0.00 37.83 34.32 3hk0 s LYS 113 CO 0.01 -0.08 -0.15 0.08 0.00 0.00 0.00 175.35 175.21 3hk0 s VAL 114 N 1.40 2.54 -0.08 1.79 1.01 -0.85 -3.92 120.40 122.29 3hk0 s VAL 114 Ca 0.06 -0.79 -0.15 0.00 0.00 0.00 0.00 61.98 61.11 3hk0 s VAL 114 Cb -0.15 -2.09 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 3hk0 s VAL 114 CO 0.06 0.50 0.37 -0.36 0.00 0.00 0.00 175.10 175.68 3hk0 s PHE 115 N 1.24 3.60 0.31 5.22 0.08 0.38 -2.47 117.98 126.34 3hk0 s PHE 115 Ca 0.03 0.83 0.06 0.00 0.12 0.00 0.00 56.93 57.97 3hk0 s PHE 115 Cb -0.14 -2.34 -0.02 0.00 -0.57 0.00 0.00 43.02 39.96 3hk0 s PHE 115 CO -0.08 0.44 0.43 -1.12 -0.10 0.00 0.00 175.22 174.79 3hk0 s SER 116 N -0.28 6.03 0.53 1.36 0.01 -0.05 0.29 113.70 121.59 3hk0 s SER 116 Ca 0.22 -0.14 0.36 0.00 1.31 0.00 0.00 55.95 57.70 3hk0 s SER 116 Cb -0.15 -1.38 1.83 0.00 0.21 0.00 0.00 66.02 66.54 3hk0 s SER 116 CO 0.09 -0.34 2.09 1.05 0.41 0.00 0.00 173.24 176.54 3hk0 h GLU 117 N 0.98 0.00 0.00 12.44 9.09 -1.89 -0.39 114.58 134.81 3hk0 h GLU 117 Ca -0.47 0.00 -0.00 0.00 0.05 0.00 0.00 59.36 58.94 3hk0 h GLU 117 Cb 1.25 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 28.35 3hk0 h GLU 117 CO 0.55 0.00 -0.01 -0.44 0.05 0.00 0.00 179.01 179.16 3hk0 h ASP 118 N 0.00 0.00 0.00 3.06 5.19 -1.94 -3.46 116.42 119.27 3hk0 h ASP 118 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 3hk0 h ASP 118 Cb 0.13 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.64 3hk0 h ASP 118 CO 0.00 0.01 0.00 0.61 -3.12 0.00 0.00 179.24 176.74 3hk0 n GLY 119 N -0.26 0.35 3.80 2.75 0.00 -0.15 -5.07 105.19 106.61 3hk0 n GLY 119 Ca -0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 3hk0 n GLY 119 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3hk0 s THR 120 N -2.12 3.76 -0.04 2.61 2.01 -1.25 -4.79 115.64 115.82 3hk0 s THR 120 Ca 0.00 0.88 0.01 0.00 0.31 0.00 0.00 61.69 62.89 3hk0 s THR 120 Cb 0.00 -3.38 0.02 0.00 0.01 0.00 0.00 72.50 69.16 3hk0 s THR 120 CO 0.00 -0.45 -0.03 -0.55 -0.69 0.00 0.00 174.62 172.90 3hk0 s SER 121 N -2.62 0.80 -0.02 3.53 0.15 -1.26 -0.87 113.70 113.40 3hk0 s SER 121 Ca 0.65 -0.10 0.05 0.00 0.70 0.00 0.00 55.95 57.24 3hk0 s SER 121 Cb -0.16 -0.38 -0.01 0.00 -1.71 0.00 0.00 66.02 63.76 3hk0 s SER 121 CO 0.34 -0.07 -0.16 -1.59 1.20 0.00 0.00 173.24 172.96 3hk0 s LYS 122 N 0.97 1.43 -0.27 5.44 0.00 -1.03 -4.99 119.74 121.28 3hk0 s LYS 122 Ca -0.10 -0.56 -0.19 0.00 0.00 0.00 0.00 55.97 55.11 3hk0 s LYS 122 Cb -0.14 -1.33 -0.02 0.00 0.00 0.00 0.00 37.83 36.34 3hk0 s LYS 122 CO -0.01 0.29 0.56 0.08 0.00 0.00 0.00 175.35 176.28 3hk0 s VAL 123 N -0.19 5.02 -0.04 1.79 1.01 -1.26 -2.00 120.40 124.72 3hk0 s VAL 123 Ca 0.02 0.91 0.05 0.00 0.00 0.00 0.00 61.98 62.96 3hk0 s VAL 123 Cb -0.08 -3.89 -0.02 0.00 0.00 0.00 0.00 36.38 32.38 3hk0 s VAL 123 CO 0.00 0.01 -0.18 -0.69 0.00 0.00 0.00 175.10 174.25 3hk0 s VAL 124 N 2.42 2.72 -0.51 2.92 1.01 0.10 -4.91 120.40 124.14 3hk0 s VAL 124 Ca 0.23 -0.85 -0.25 0.00 0.00 0.00 0.00 61.98 61.11 3hk0 s VAL 124 Cb -0.15 -2.03 0.03 0.00 0.00 0.00 0.00 36.38 34.23 3hk0 s VAL 124 CO 0.10 0.58 0.93 -0.70 0.00 0.00 0.00 175.10 176.01 3hk0 s GLU 125 N -0.62 3.42 -0.08 2.72 2.12 -1.26 -1.00 118.70 124.00 3hk0 s GLU 125 Ca 0.09 -0.07 -0.05 0.00 0.36 0.00 0.00 54.97 55.30 3hk0 s GLU 125 Cb -0.11 -3.99 -0.04 0.00 0.26 0.00 0.00 34.13 30.25 3hk0 s GLU 125 CO 0.00 -1.37 0.14 0.42 -0.54 0.00 0.00 175.26 173.92 3hk0 s ILE 126 N 3.87 5.38 0.30 -3.70 -1.09 0.34 -4.90 121.20 121.41 3hk0 s ILE 126 Ca 0.33 0.03 -0.05 0.00 -2.23 0.00 0.00 60.65 58.74 3hk0 s ILE 126 Cb -0.11 -3.40 -0.05 0.00 -1.58 0.00 0.00 42.46 37.31 3hk0 s ILE 126 CO 0.22 0.51 0.58 -0.76 -1.23 0.00 0.00 174.94 174.26 3hk0 s LEU 127 N -1.36 4.03 0.20 2.97 1.43 -1.26 -1.05 118.68 123.64 3hk0 s LEU 127 Ca 0.19 0.74 0.15 0.00 -1.03 0.00 0.00 54.13 54.19 3hk0 s LEU 127 Cb -0.12 -3.57 0.78 0.00 0.03 0.00 0.00 46.19 43.31 3hk0 s LEU 127 CO 0.09 -0.22 1.47 0.00 0.23 0.00 0.00 176.35 177.92 3hk0 n ALA 128 N -1.02 1.16 -0.27 4.21 0.00 -1.26 -2.11 120.51 121.22 3hk0 n ALA 128 Ca -0.01 0.11 0.06 0.00 0.00 0.00 0.00 53.44 53.60 3hk0 n ALA 128 Cb 0.54 -1.23 0.17 0.00 0.00 0.00 0.00 19.45 18.92 3hk0 n ALA 128 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3hk0 n ASP 129 N -1.99 3.04 -4.71 0.00 3.85 -1.26 -4.76 116.55 110.72 3hk0 n ASP 129 Ca -0.00 -2.12 -0.42 0.00 -0.71 0.00 0.00 54.79 51.54 3hk0 n ASP 129 Cb 0.06 -0.27 -0.03 0.00 -1.35 0.00 0.00 41.12 39.53 3hk0 n ASP 129 CO 0.00 0.00 0.00 -0.04 -1.01 0.00 0.00 177.20 176.15 3hk0 s MET 130 N -1.21 4.52 0.56 0.11 -1.94 -0.90 -5.00 119.30 115.45 3hk0 s MET 130 Ca 0.25 1.54 -0.07 0.00 -1.71 0.00 0.00 55.69 55.70 3hk0 s MET 130 Cb 0.15 -3.42 -0.02 0.00 2.01 0.00 0.00 34.83 33.54 3hk0 s MET 130 CO 0.15 -0.11 0.90 0.95 -0.01 0.00 0.00 175.02 176.90 3hk0 s THR 131 N 1.01 4.40 0.31 2.05 -4.23 -1.26 -2.07 115.64 115.84 3hk0 s THR 131 Ca 0.54 0.34 0.06 0.00 -1.18 0.00 0.00 61.69 61.45 3hk0 s THR 131 Cb -0.24 -3.72 0.30 0.00 1.34 0.00 0.00 72.50 70.18 3hk0 s THR 131 CO 0.28 -0.80 1.78 0.00 -0.54 0.00 0.00 174.62 175.35 3hk0 h ALA 132 N -0.10 1.68 0.00 3.99 0.00 -0.68 -0.91 119.26 123.25 3hk0 h ALA 132 Ca -0.46 0.07 -0.08 0.00 0.00 0.00 0.00 54.91 54.45 3hk0 h ALA 132 Cb 1.22 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 3hk0 h ALA 132 CO 0.62 -0.05 -0.39 0.07 0.00 0.00 0.00 179.25 179.49 3hk0 h ARG 133 N 0.77 0.00 -0.38 0.00 0.11 -1.74 -1.01 114.38 112.12 3hk0 h ARG 133 Ca 0.57 0.00 -0.13 0.00 0.10 0.00 0.00 59.98 60.53 3hk0 h ARG 133 Cb 0.89 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.96 3hk0 h ARG 133 CO -0.37 0.39 -0.26 -0.44 0.10 0.00 0.00 179.97 179.40 3hk0 h ASP 134 N 0.00 0.88 -0.13 0.08 3.32 -1.48 -1.71 116.42 117.37 3hk0 h ASP 134 Ca -0.00 -0.43 -0.02 0.00 0.02 0.00 0.00 57.03 56.60 3hk0 h ASP 134 Cb 1.02 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 40.32 3hk0 h ASP 134 CO 0.05 1.12 0.02 0.25 -1.72 0.00 0.00 179.24 178.96 3hk0 h LEU 135 N 0.64 0.22 -0.57 1.55 6.46 -1.20 -1.28 115.31 121.13 3hk0 h LEU 135 Ca 0.07 -0.27 0.08 0.00 -0.12 0.00 0.00 57.88 57.64 3hk0 h LEU 135 Cb 0.83 -0.06 -0.06 0.00 -0.73 0.00 0.00 40.66 40.64 3hk0 h LEU 135 CO 0.07 0.44 0.23 0.00 -0.62 0.00 0.00 178.44 178.55 3hk0 h GLN 137 N 0.43 1.02 -0.10 0.00 4.20 -1.27 0.15 115.11 119.53 3hk0 h GLN 137 Ca 0.28 -0.21 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 3hk0 h GLN 137 Cb 0.30 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 3hk0 h GLN 137 CO -0.26 0.88 -0.01 1.25 -0.67 0.00 0.00 178.83 180.02 3hk0 h LEU 138 N 0.95 0.12 0.16 1.46 5.85 -0.46 0.92 115.31 124.32 3hk0 h LEU 138 Ca 0.22 -0.01 -0.32 0.00 0.84 0.00 0.00 57.88 58.61 3hk0 h LEU 138 Cb 0.27 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.28 3hk0 h LEU 138 CO -0.01 0.17 -1.53 -0.07 -0.34 0.00 0.00 178.44 176.66 3hk0 h LEU 139 N 0.14 0.53 -0.35 2.25 3.38 -0.40 -3.31 115.31 117.56 3hk0 h LEU 139 Ca 0.03 -0.68 -0.00 0.00 0.09 0.00 0.00 57.88 57.32 3hk0 h LEU 139 Cb 0.13 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3hk0 h LEU 139 CO 0.00 1.56 0.20 -0.37 0.09 0.00 0.00 178.44 179.93 3hk0 h VAL 140 N 0.09 1.12 -0.23 1.22 -1.51 -0.46 -3.25 116.25 113.24 3hk0 h VAL 140 Ca -0.25 -0.30 -0.47 0.00 -1.23 0.00 0.00 66.70 64.45 3hk0 h VAL 140 Cb 2.06 0.70 0.01 0.00 -2.13 0.00 0.00 31.29 31.93 3hk0 h VAL 140 CO 0.19 0.12 1.57 0.00 -1.23 0.00 0.00 177.57 178.23 3hk0 n TYR 141 N -4.80 2.14 0.00 5.19 9.36 0.29 -5.09 117.16 124.25 3hk0 n TYR 141 Ca -0.01 -1.50 0.00 0.00 3.32 0.00 0.00 57.90 59.71 3hk0 n TYR 141 Cb 0.06 -2.13 0.00 0.00 -0.63 0.00 0.00 39.34 36.65 3hk0 n TYR 141 CO 0.00 0.00 0.00 1.17 0.22 0.00 0.00 176.86 178.25 3hk0 n LYS 142 N 7.72 0.00 0.00 2.98 4.81 -1.23 -4.87 118.16 127.57 3hk0 n LYS 142 Ca 0.47 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.91 3hk0 n LYS 142 Cb 0.44 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.49 3hk0 n LYS 142 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 3hk0 n SER 150 N -0.45 0.00 -4.75 3.14 2.88 -1.26 -5.08 113.62 108.09 3hk0 n SER 150 Ca 0.00 0.00 -0.33 0.00 -1.33 0.00 0.00 58.87 57.21 3hk0 n SER 150 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.53 3hk0 n SER 150 CO 0.00 0.00 0.00 0.26 -1.23 0.00 0.00 175.04 174.07 3hk0 s TRP 151 N 0.00 2.44 -0.03 0.66 0.52 -1.26 -0.15 118.94 121.12 3hk0 s TRP 151 Ca 0.00 1.58 -0.16 0.00 0.02 0.00 0.00 56.10 57.54 3hk0 s TRP 151 Cb 0.00 -3.20 0.03 0.00 -1.15 0.00 0.00 33.47 29.15 3hk0 s TRP 151 CO 0.00 -1.95 0.35 -0.08 0.02 0.00 0.00 176.95 175.29 3hk0 s THR 152 N -2.44 0.05 -0.06 2.01 -1.32 0.00 -4.77 115.64 109.12 3hk0 s THR 152 Ca 0.67 -0.40 -0.08 0.00 -1.21 0.00 0.00 61.69 60.66 3hk0 s THR 152 Cb -0.21 -0.64 -0.05 0.00 -1.51 0.00 0.00 72.50 70.09 3hk0 s THR 152 CO 0.47 -0.22 0.23 -0.76 -2.21 0.00 0.00 174.62 172.13 3hk0 s LEU 153 N -1.22 4.40 -0.07 9.08 1.43 -1.26 -2.39 118.68 128.66 3hk0 s LEU 153 Ca -0.12 0.59 0.05 0.00 -1.03 0.00 0.00 54.13 53.62 3hk0 s LEU 153 Cb -0.05 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.82 3hk0 s LEU 153 CO 0.05 0.35 -0.23 -0.69 0.23 0.00 0.00 176.35 176.06 3hk0 s VAL 154 N -1.12 1.90 -0.82 -1.59 1.01 0.26 -1.11 120.40 118.94 3hk0 s VAL 154 Ca 0.20 -0.96 -0.20 0.00 0.00 0.00 0.00 61.98 61.02 3hk0 s VAL 154 Cb -0.13 -1.62 0.11 0.00 0.00 0.00 0.00 36.38 34.73 3hk0 s VAL 154 CO 0.10 0.53 1.05 -0.70 0.00 0.00 0.00 175.10 176.07 3hk0 s GLU 155 N 0.04 3.40 -0.32 2.72 2.12 0.24 -1.40 118.70 125.49 3hk0 s GLU 155 Ca -0.08 -1.42 -0.12 0.00 0.36 0.00 0.00 54.97 53.71 3hk0 s GLU 155 Cb -0.15 -4.65 -0.02 0.00 0.26 0.00 0.00 34.13 29.57 3hk0 s GLU 155 CO 0.05 -1.77 0.22 -1.58 -0.54 0.00 0.00 175.26 171.63 3hk0 s HIS 156 N 3.15 3.22 -0.45 5.30 2.46 -0.05 -2.48 115.29 126.44 3hk0 s HIS 156 Ca 0.28 -0.20 -0.04 0.00 0.47 0.00 0.00 55.06 55.57 3hk0 s HIS 156 Cb -0.10 -2.44 0.12 0.00 -0.13 0.00 0.00 32.58 30.03 3hk0 s HIS 156 CO -0.02 -0.33 0.27 -1.01 -2.47 0.00 0.00 174.74 171.17 3hk0 s HIS 157 N 1.71 3.54 0.03 3.88 3.76 0.98 -0.68 115.29 128.51 3hk0 s HIS 157 Ca 0.06 -2.35 -0.24 0.00 -0.15 0.00 0.00 55.06 52.38 3hk0 s HIS 157 Cb -0.17 -3.28 -0.18 0.00 1.11 0.00 0.00 32.58 30.06 3hk0 s HIS 157 CO 0.10 -0.96 1.45 -1.35 -0.85 0.00 0.00 174.74 173.13 3hk0 h PRO 158 N 7.99 0.03 -0.58 8.40 0.11 -1.82 0.77 132.00 146.91 3hk0 h PRO 158 Ca -0.13 -0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.97 3hk0 h PRO 158 Cb 1.04 -0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.12 3hk0 h PRO 158 CO 0.73 0.32 0.36 1.12 -0.21 0.00 0.00 178.00 180.32 3hk0 h HIS 159 N -0.27 0.75 0.00 0.65 2.07 -1.94 -1.88 115.15 114.53 3hk0 h HIS 159 Ca 0.00 0.01 -0.05 0.00 -2.85 0.00 0.00 60.37 57.48 3hk0 h HIS 159 Cb 0.31 -0.25 -0.01 0.00 2.57 0.00 0.00 27.41 30.03 3hk0 h HIS 159 CO 0.03 0.50 -0.65 -0.07 -3.07 0.00 0.00 177.93 174.67 3hk0 h LEU 160 N 0.80 0.00 -1.09 6.12 3.38 -1.91 -3.48 115.31 119.12 3hk0 h LEU 160 Ca 0.21 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 58.04 3hk0 h LEU 160 Cb -0.04 0.00 0.05 0.00 0.09 0.00 0.00 40.66 40.76 3hk0 h LEU 160 CO -0.04 0.22 -0.25 0.61 0.09 0.00 0.00 178.44 179.07 3hk0 n GLY 161 N 1.20 0.37 3.11 0.83 0.00 0.14 -4.88 105.19 105.96 3hk0 n GLY 161 Ca 0.00 -0.33 -0.19 0.00 0.00 0.00 0.00 46.02 45.50 3hk0 n GLY 161 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hk0 s LEU 162 N -3.34 2.15 0.12 0.99 1.02 -0.47 -1.98 118.68 117.16 3hk0 s LEU 162 Ca 0.18 -0.41 -0.09 0.00 0.02 0.00 0.00 54.13 53.83 3hk0 s LEU 162 Cb -0.08 -0.54 -0.00 0.00 0.02 0.00 0.00 46.19 45.59 3hk0 s LEU 162 CO 0.27 0.03 0.22 -1.83 0.02 0.00 0.00 176.35 175.05 3hk0 s GLU 163 N -1.00 0.96 -0.28 1.70 -1.05 -0.27 -0.01 118.70 118.75 3hk0 s GLU 163 Ca 0.01 -1.04 -0.19 0.00 -0.15 0.00 0.00 54.97 53.60 3hk0 s GLU 163 Cb -0.07 0.35 0.08 0.00 -0.44 0.00 0.00 34.13 34.05 3hk0 s GLU 163 CO 0.01 -0.32 0.71 0.50 0.95 0.00 0.00 175.26 177.10 3hk0 s ARG 164 N -3.90 0.75 0.19 -4.83 3.52 -1.03 0.20 118.95 113.84 3hk0 s ARG 164 Ca 0.10 1.14 -0.30 0.00 -0.13 0.00 0.00 55.73 56.54 3hk0 s ARG 164 Cb 0.04 0.23 -0.08 0.00 -1.56 0.00 0.00 34.95 33.58 3hk0 s ARG 164 CO -0.07 -0.13 1.02 0.00 -0.81 0.00 0.00 175.30 175.31 3hk0 s LEU 166 N -0.65 4.55 0.53 0.00 1.43 -0.27 -4.92 118.68 119.35 3hk0 s LEU 166 Ca 0.46 2.17 -0.21 0.00 -1.03 0.00 0.00 54.13 55.51 3hk0 s LEU 166 Cb -0.27 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.28 3hk0 s LEU 166 CO 0.34 -0.13 1.26 -1.61 0.23 0.00 0.00 176.35 176.44 3hk0 s GLU 167 N -1.08 3.32 0.45 1.70 0.41 -1.26 -4.70 118.70 117.55 3hk0 s GLU 167 Ca 0.45 1.98 0.20 0.00 -0.41 0.00 0.00 54.97 57.20 3hk0 s GLU 167 Cb -0.30 -2.24 1.17 0.00 -1.78 0.00 0.00 34.13 30.98 3hk0 s GLU 167 CO 0.38 -0.97 1.90 -0.44 -0.49 0.00 0.00 175.26 175.65 3hk0 h ASP 168 N 1.54 0.29 1.14 -0.19 3.45 -1.96 -2.13 116.42 118.56 3hk0 h ASP 168 Ca -0.50 0.02 0.00 0.00 0.43 0.00 0.00 57.03 56.98 3hk0 h ASP 168 Cb 1.28 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 40.02 3hk0 h ASP 168 CO 0.58 0.13 -0.31 0.00 -1.57 0.00 0.00 179.24 178.07 3hk0 n HIS 169 N -4.45 0.70 -1.89 4.55 1.44 -1.26 -2.20 115.22 112.12 3hk0 n HIS 169 Ca 0.16 0.20 -0.41 0.00 -2.01 0.00 0.00 57.72 55.67 3hk0 n HIS 169 Cb 0.66 -0.78 -0.01 0.00 0.12 0.00 0.00 29.99 29.99 3hk0 n HIS 169 CO 0.00 0.00 0.00 -1.21 -2.81 0.00 0.00 176.34 172.32 3hk0 s GLU 170 N -3.13 4.14 -0.28 -1.40 2.02 -0.80 -4.66 118.70 114.60 3hk0 s GLU 170 Ca 0.09 2.46 -0.27 0.00 0.02 0.00 0.00 54.97 57.27 3hk0 s GLU 170 Cb 0.13 -2.97 0.01 0.00 0.10 0.00 0.00 34.13 31.40 3hk0 s GLU 170 CO 0.66 -0.46 0.96 -0.51 0.02 0.00 0.00 175.26 175.92 3hk0 s LEU 171 N -2.07 4.04 0.19 1.80 1.02 -1.26 -0.64 118.68 121.77 3hk0 s LEU 171 Ca 0.52 1.06 -0.12 0.00 0.02 0.00 0.00 54.13 55.62 3hk0 s LEU 171 Cb -0.44 -3.38 0.21 0.00 0.02 0.00 0.00 46.19 42.60 3hk0 s LEU 171 CO 0.60 -0.69 1.75 0.58 0.02 0.00 0.00 176.35 178.61 3hk0 h VAL 172 N 5.56 0.83 -0.90 -1.59 2.07 -1.71 -1.36 116.25 119.16 3hk0 h VAL 172 Ca -0.21 -0.14 0.11 0.00 0.82 0.00 0.00 66.70 67.28 3hk0 h VAL 172 Cb 1.07 0.39 -0.08 0.00 -1.52 0.00 0.00 31.29 31.16 3hk0 h VAL 172 CO 0.96 0.07 0.53 0.58 0.02 0.00 0.00 177.57 179.73 3hk0 h VAL 173 N 0.40 0.90 0.14 2.57 2.07 -1.86 -0.38 116.25 120.09 3hk0 h VAL 173 Ca 0.26 -0.30 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 3hk0 h VAL 173 Cb 0.28 -0.03 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 3hk0 h VAL 173 CO -0.25 0.16 -0.06 1.56 0.02 0.00 0.00 177.57 178.99 3hk0 h GLN 174 N 0.86 -0.17 -0.74 1.57 4.20 -1.59 -2.21 115.11 117.03 3hk0 h GLN 174 Ca 0.44 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 59.14 3hk0 h GLN 174 Cb 0.42 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 3hk0 h GLN 174 CO -0.26 -0.09 0.36 0.28 -0.67 0.00 0.00 178.83 178.44 3hk0 h VAL 175 N -0.21 1.23 -0.18 -0.54 2.07 -1.33 -2.97 116.25 114.32 3hk0 h VAL 175 Ca -0.02 -0.65 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 3hk0 h VAL 175 Cb 0.16 0.29 -0.01 0.00 -1.52 0.00 0.00 31.29 30.21 3hk0 h VAL 175 CO 0.03 0.28 -0.04 -0.08 0.02 0.00 0.00 177.57 177.78 3hk0 h GLU 176 N 1.04 0.26 0.00 1.57 4.22 -0.67 -2.41 114.58 118.60 3hk0 h GLU 176 Ca 0.26 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.65 3hk0 h GLU 176 Cb 0.10 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.31 3hk0 h GLU 176 CO -0.03 0.32 0.00 0.66 -2.18 0.00 0.00 179.01 177.78 3hk0 h SER 177 N 0.26 0.00 -0.53 1.04 4.64 -1.24 -3.07 113.55 114.64 3hk0 h SER 177 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3hk0 h SER 177 Cb 0.24 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.33 3hk0 h SER 177 CO 0.01 0.00 0.00 0.35 -0.87 0.00 0.00 176.83 176.32 3hk0 n THR 178 N -2.69 2.23 -3.93 2.95 -2.24 -0.91 -4.96 114.28 104.74 3hk0 n THR 178 Ca 0.04 -1.19 -0.35 0.00 -2.27 0.00 0.00 64.05 60.28 3hk0 n THR 178 Cb 0.42 -0.21 -0.06 0.00 -2.10 0.00 0.00 70.33 68.38 3hk0 n THR 178 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 3hk0 s MET 179 N -2.37 3.39 0.93 -0.78 1.00 -1.16 -4.91 119.30 115.40 3hk0 s MET 179 Ca 0.48 -0.25 -0.15 0.00 0.00 0.00 0.00 55.69 55.77 3hk0 s MET 179 Cb 0.35 -3.11 0.17 0.00 0.00 0.00 0.00 34.83 32.24 3hk0 s MET 179 CO 0.16 0.72 1.26 0.00 0.00 0.00 0.00 175.02 177.17 3hk0 s ALA 180 N -1.16 2.25 0.11 3.03 0.00 -1.26 -4.99 121.76 119.75 3hk0 s ALA 180 Ca 0.21 -0.99 -0.23 0.00 0.00 0.00 0.00 51.96 50.94 3hk0 s ALA 180 Cb -0.12 -2.85 -0.07 0.00 0.00 0.00 0.00 23.12 20.08 3hk0 s ALA 180 CO 0.11 -2.27 1.69 0.66 0.00 0.00 0.00 175.76 175.95 3hk0 h SER 181 N -1.51 -0.33 1.05 0.00 4.64 -1.99 -3.08 113.55 112.32 3hk0 h SER 181 Ca -0.45 0.05 0.00 0.00 -0.47 0.00 0.00 61.79 60.92 3hk0 h SER 181 Cb 1.27 0.15 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 3hk0 h SER 181 CO 0.47 -0.16 0.00 1.05 -0.87 0.00 0.00 176.83 177.32 3hk0 h GLU 182 N -0.18 0.00 -7.09 4.77 -0.00 -1.97 -3.46 114.58 106.66 3hk0 h GLU 182 Ca 0.05 0.00 -0.55 0.00 -0.00 0.00 0.00 59.36 58.86 3hk0 h GLU 182 Cb 0.24 0.00 0.14 0.00 -0.00 0.00 0.00 28.75 29.14 3hk0 h GLU 182 CO -0.13 0.00 0.53 -1.12 -0.00 0.00 0.00 179.01 178.29 3hk0 s SER 183 N -4.70 4.93 0.08 3.06 0.01 -1.17 -4.62 113.70 111.30 3hk0 s SER 183 Ca 0.05 2.62 0.03 0.00 1.31 0.00 0.00 55.95 59.96 3hk0 s SER 183 Cb 0.10 -2.62 -0.03 0.00 0.21 0.00 0.00 66.02 63.67 3hk0 s SER 183 CO 0.49 -1.78 -0.09 -0.54 0.41 0.00 0.00 173.24 171.72 3hk0 s LYS 184 N -3.22 0.75 -0.25 12.44 1.02 0.15 -4.96 119.74 125.67 3hk0 s LYS 184 Ca 0.78 -1.06 -0.13 0.00 0.02 0.00 0.00 55.97 55.58 3hk0 s LYS 184 Cb -0.37 -0.44 -0.04 0.00 -0.52 0.00 0.00 37.83 36.46 3hk0 s LYS 184 CO 0.41 0.07 0.29 -0.06 -0.92 0.00 0.00 175.35 175.13 3hk0 s PHE 185 N -2.24 3.28 0.16 3.18 0.08 -1.25 -0.87 117.98 120.33 3hk0 s PHE 185 Ca 0.01 0.34 0.03 0.00 0.12 0.00 0.00 56.93 57.44 3hk0 s PHE 185 Cb -0.04 -2.45 -0.04 0.00 -0.57 0.00 0.00 43.02 39.93 3hk0 s PHE 185 CO -0.00 -0.10 0.26 -0.51 -0.10 0.00 0.00 175.22 174.77 3hk0 s LEU 186 N 1.60 4.23 -0.34 -0.37 1.43 -0.49 -0.47 118.68 124.26 3hk0 s LEU 186 Ca 0.12 0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 3hk0 s LEU 186 Cb -0.15 -2.80 0.11 0.00 0.03 0.00 0.00 46.19 43.38 3hk0 s LEU 186 CO 0.08 0.04 0.12 0.12 0.23 0.00 0.00 176.35 176.95 3hk0 s PHE 187 N -1.78 1.92 0.37 0.29 5.36 0.14 -0.57 117.98 123.71 3hk0 s PHE 187 Ca 0.34 -1.97 0.04 0.00 -0.96 0.00 0.00 56.93 54.38 3hk0 s PHE 187 Cb -0.11 -1.84 -0.03 0.00 -0.34 0.00 0.00 43.02 40.70 3hk0 s PHE 187 CO 0.27 -0.87 0.15 -0.98 -1.46 0.00 0.00 175.22 172.34 3hk0 s ARG 188 N 1.31 1.81 0.17 10.12 1.70 -1.01 -3.88 118.95 129.18 3hk0 s ARG 188 Ca 0.11 -2.08 -0.17 0.00 -0.47 0.00 0.00 55.73 53.13 3hk0 s ARG 188 Cb -0.19 -0.39 -0.08 0.00 -0.57 0.00 0.00 34.95 33.73 3hk0 s ARG 188 CO -0.19 -0.47 0.63 0.15 -1.08 0.00 0.00 175.30 174.34 3hk0 s LYS 189 N -3.72 4.13 -0.21 3.89 -0.14 -1.26 -0.82 119.74 121.62 3hk0 s LYS 189 Ca 0.29 0.69 -0.04 0.00 -1.36 0.00 0.00 55.97 55.55 3hk0 s LYS 189 Cb 0.03 -2.94 0.08 0.00 -1.68 0.00 0.00 37.83 33.33 3hk0 s LYS 189 CO 0.17 0.45 0.13 1.21 -0.76 0.00 0.00 175.35 176.55 3hk0 s ASN 190 N -1.63 2.43 0.00 2.83 3.04 0.79 -4.89 114.94 117.50 3hk0 s ASN 190 Ca 0.39 -0.71 0.16 0.00 0.04 0.00 0.00 52.86 52.75 3hk0 s ASN 190 Cb -0.16 -0.13 0.46 0.00 -1.54 0.00 0.00 41.25 39.87 3hk0 s ASN 190 CO 0.20 -0.37 1.38 -1.22 -3.04 0.00 0.00 177.10 174.05 3hk0 n TYR 191 N 5.28 0.67 -1.60 0.43 4.01 -1.26 -4.06 117.16 120.63 3hk0 n TYR 191 Ca -0.06 -0.33 0.06 0.00 -0.16 0.00 0.00 57.90 57.41 3hk0 n TYR 191 Cb 0.47 0.00 0.17 0.00 -0.31 0.00 0.00 39.34 39.68 3hk0 n TYR 191 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3hk0 n ALA 192 N 0.99 3.24 -0.13 -0.72 0.00 -1.26 -4.89 120.51 117.74 3hk0 n ALA 192 Ca 0.17 -3.03 0.10 0.00 0.00 0.00 0.00 53.44 50.68 3hk0 n ALA 192 Cb 0.43 -0.40 0.45 0.00 0.00 0.00 0.00 19.45 19.93 3hk0 n ALA 192 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3hk0 h LYS 193 N 0.79 0.51 -1.00 0.00 1.57 -1.96 -3.28 116.57 113.20 3hk0 h LYS 193 Ca -0.02 -0.03 -0.39 0.00 -1.87 0.00 0.00 60.65 58.33 3hk0 h LYS 193 Cb 1.10 -0.12 -0.40 0.00 0.08 0.00 0.00 32.23 32.89 3hk0 h LYS 193 CO 0.01 0.34 -1.09 0.66 -0.57 0.00 0.00 179.45 178.80 3hk0 n TYR 194 N -4.48 1.65 0.16 -1.35 4.01 -1.26 -4.93 117.16 110.96 3hk0 n TYR 194 Ca 0.11 -2.73 0.03 0.00 -0.16 0.00 0.00 57.90 55.15 3hk0 n TYR 194 Cb 0.34 -0.30 0.43 0.00 -0.31 0.00 0.00 39.34 39.50 3hk0 n TYR 194 CO 0.00 0.00 0.00 0.93 -0.46 0.00 0.00 176.86 177.33 3hk0 h GLU 195 N 2.83 0.14 -0.77 -0.72 4.39 -1.95 -1.64 114.58 116.86 3hk0 h GLU 195 Ca -0.01 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.62 3hk0 h GLU 195 Cb 1.16 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 29.75 3hk0 h GLU 195 CO 0.53 0.30 0.35 0.35 -1.16 0.00 0.00 179.01 179.39 3hk0 h PHE 196 N 0.14 1.13 -0.05 4.33 3.57 -1.91 -3.06 116.94 121.09 3hk0 h PHE 196 Ca 0.03 -0.06 -0.11 0.00 3.53 0.00 0.00 57.97 61.35 3hk0 h PHE 196 Cb 0.36 -0.35 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3hk0 h PHE 196 CO 0.00 0.83 -0.49 0.74 -2.23 0.00 0.00 178.31 177.17 3hk0 h PHE 197 N 1.09 0.14 -0.18 0.41 0.05 -1.71 -0.35 116.94 116.39 3hk0 h PHE 197 Ca 0.26 -0.04 -0.11 0.00 3.82 0.00 0.00 57.97 61.90 3hk0 h PHE 197 Cb 0.15 -0.03 -0.01 0.00 2.00 0.00 0.00 35.95 38.06 3hk0 h PHE 197 CO 0.01 0.58 -0.38 0.87 -0.18 0.00 0.00 178.31 179.21 3hk0 h LYS 198 N 0.09 0.39 -1.31 1.51 1.57 -1.42 -3.38 116.57 114.03 3hk0 h LYS 198 Ca 0.00 -0.18 -0.42 0.00 -1.87 0.00 0.00 60.65 58.18 3hk0 h LYS 198 Cb 0.90 -0.00 -0.29 0.00 0.08 0.00 0.00 32.23 32.92 3hk0 h LYS 198 CO 0.07 0.72 -0.85 0.09 -0.57 0.00 0.00 179.45 178.91 3hk0 n ASN 199 N -4.04 -1.19 -0.11 0.86 4.13 -1.14 -5.03 115.26 108.74 3hk0 n ASN 199 Ca -0.01 -2.88 -0.07 0.00 1.68 0.00 0.00 54.58 53.30 3hk0 n ASN 199 Cb 0.48 0.36 0.09 0.00 -1.54 0.00 0.00 39.78 39.17 3hk0 n ASN 199 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 3hk0 h PRO 200 N 4.25 0.84 0.00 3.52 0.13 -1.24 -2.80 132.00 136.69 3hk0 h PRO 200 Ca 0.02 -0.30 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 3hk0 h PRO 200 Cb 0.95 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.02 3hk0 h PRO 200 CO 0.37 0.93 0.00 -1.33 -0.23 0.00 0.00 178.00 177.74 3hk0 n MET 201 N -4.14 0.18 -0.51 0.86 2.81 -1.26 -3.18 117.12 111.87 3hk0 n MET 201 Ca 0.01 0.49 0.04 0.00 -1.81 0.00 0.00 57.70 56.43 3hk0 n MET 201 Cb 0.39 -1.91 0.06 0.00 -0.71 0.00 0.00 33.22 31.05 3hk0 n MET 201 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 3hk0 n ASN 202 N -2.27 0.97 0.05 7.83 6.94 -1.15 -4.85 115.26 122.78 3hk0 n ASN 202 Ca 0.01 -2.48 -0.22 0.00 -0.02 0.00 0.00 54.58 51.87 3hk0 n ASN 202 Cb 0.17 -0.31 -0.15 0.00 -2.36 0.00 0.00 39.78 37.14 3hk0 n ASN 202 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 3hk0 h PHE 203 N 0.22 0.61 -3.31 -2.53 3.57 -1.46 -3.46 116.94 110.58 3hk0 h PHE 203 Ca -0.03 -0.44 -0.58 0.00 3.53 0.00 0.00 57.97 60.45 3hk0 h PHE 203 Cb 1.32 -0.02 -0.08 0.00 2.79 0.00 0.00 35.95 39.95 3hk0 h PHE 203 CO 0.13 1.56 -0.20 -0.06 -2.23 0.00 0.00 178.31 177.52 3hk0 s PHE 204 N -2.51 3.50 0.94 0.41 0.40 -1.26 -5.01 117.98 114.44 3hk0 s PHE 204 Ca -0.17 0.81 -0.12 0.00 -0.60 0.00 0.00 56.93 56.85 3hk0 s PHE 204 Cb 0.04 -2.48 0.08 0.00 0.51 0.00 0.00 43.02 41.17 3hk0 s PHE 204 CO 0.82 0.20 0.68 -0.35 0.70 0.00 0.00 175.22 177.27 3hk0 n PRO 205 N 3.60 -0.37 -1.64 0.24 -0.04 -1.26 -4.79 135.00 130.74 3hk0 n PRO 205 Ca -0.09 -0.06 -0.50 0.00 -0.04 0.00 0.00 63.50 62.81 3hk0 n PRO 205 Cb 0.52 -2.05 -0.05 0.00 -0.04 0.00 0.00 33.50 31.88 3hk0 n PRO 205 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3hk0 n GLU 206 N -2.65 1.56 -1.53 0.54 0.00 -1.26 -2.57 120.64 114.74 3hk0 n GLU 206 Ca 0.09 0.56 -0.18 0.00 0.00 0.00 0.00 57.16 57.63 3hk0 n GLU 206 Cb 0.53 -2.27 -0.08 0.00 0.00 0.00 0.00 31.44 29.62 3hk0 n GLU 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 3hk0 n GLN 207 N 3.51 -1.42 0.11 3.44 0.00 -1.26 -4.81 117.38 116.95 3hk0 n GLN 207 Ca 0.19 1.08 -0.04 0.00 0.00 0.00 0.00 57.00 58.24 3hk0 n GLN 207 Cb 0.22 -5.43 0.07 0.00 0.00 0.00 0.00 30.24 25.11 3hk0 n GLN 207 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.06 179.04 3hk0 h MET 208 N 0.00 0.03 -4.94 2.61 -1.53 -1.74 -3.44 114.93 105.92 3hk0 h MET 208 Ca -0.37 -0.03 -0.65 0.00 -3.44 0.00 0.00 59.70 55.21 3hk0 h MET 208 Cb 1.20 0.01 -0.35 0.00 -0.55 0.00 0.00 31.60 31.91 3hk0 h MET 208 CO 0.55 0.76 -0.85 0.08 0.14 0.00 0.00 176.91 177.59 3hk0 s VAL 209 N -3.33 1.92 0.40 -5.77 1.01 -1.26 -0.43 120.40 112.94 3hk0 s VAL 209 Ca -0.01 -0.87 0.03 0.00 0.00 0.00 0.00 61.98 61.14 3hk0 s VAL 209 Cb 0.12 -1.76 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 3hk0 s VAL 209 CO 0.79 0.50 0.10 0.42 0.00 0.00 0.00 175.10 176.91 3hk0 s THR 210 N 1.34 0.81 0.03 3.92 -4.23 0.85 -4.99 115.64 113.37 3hk0 s THR 210 Ca 0.05 -2.00 0.04 0.00 -1.18 0.00 0.00 61.69 58.60 3hk0 s THR 210 Cb -0.13 -2.45 -0.02 0.00 1.34 0.00 0.00 72.50 71.24 3hk0 s THR 210 CO -0.12 0.00 -0.12 0.26 -0.54 0.00 0.00 174.62 174.10 3hk0 s TRP 211 N -3.20 1.05 0.03 3.99 0.52 -1.26 -0.74 118.94 119.33 3hk0 s TRP 211 Ca 0.25 -0.35 0.00 0.00 0.02 0.00 0.00 56.10 56.03 3hk0 s TRP 211 Cb 0.04 -0.63 0.00 0.00 -1.15 0.00 0.00 33.47 31.74 3hk0 s TRP 211 CO 0.14 0.01 0.01 0.45 0.02 0.00 0.00 176.95 177.58 3hk0 n SER 212 N 1.95 1.57 -2.58 2.95 2.88 -0.91 -4.75 113.62 114.73 3hk0 n SER 212 Ca -0.18 -1.11 -0.05 0.00 -1.33 0.00 0.00 58.87 56.20 3hk0 n SER 212 Cb 0.55 0.01 -0.01 0.00 -0.75 0.00 0.00 64.21 64.01 3hk0 n SER 212 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3hk0 n GLN 213 N -0.32 -2.54 -3.56 -1.46 1.13 -1.26 -4.47 117.38 104.90 3hk0 n GLN 213 Ca -0.01 0.02 -0.37 0.00 -1.94 0.00 0.00 57.00 54.70 3hk0 n GLN 213 Cb 0.03 -4.12 -0.08 0.00 0.11 0.00 0.00 30.24 26.19 3hk0 n GLN 213 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3hk0 s GLN 214 N -4.83 4.17 0.30 -1.09 -0.21 -1.26 -4.99 119.66 111.74 3hk0 s GLN 214 Ca 0.10 -0.03 0.24 0.00 0.02 0.00 0.00 55.36 55.69 3hk0 s GLN 214 Cb -0.06 -3.49 0.48 0.00 1.00 0.00 0.00 33.01 30.94 3hk0 s GLN 214 CO 0.12 0.11 1.59 0.77 -2.12 0.00 0.00 175.29 175.76 3hk0 h SER 215 N 7.14 0.00 0.00 5.90 0.02 -2.01 -3.54 113.55 121.06 3hk0 h SER 215 Ca -0.39 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 3hk0 h SER 215 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 3hk0 h SER 215 CO 0.71 0.01 -0.86 -0.11 -1.14 0.00 0.00 176.83 175.45 3hk0 n LEU 222 N -2.65 0.62 0.04 5.07 7.94 -1.26 -5.24 117.00 121.52 3hk0 n LEU 222 Ca 0.04 0.00 -0.11 0.00 -1.11 0.00 0.00 56.01 54.83 3hk0 n LEU 222 Cb 0.49 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 44.38 3hk0 n LEU 222 CO 0.33 0.05 0.84 0.25 -1.11 0.00 0.00 177.39 177.76 3hk0 h LEU 223 N 0.00 -0.11 -0.59 -1.96 5.85 -1.99 -2.02 115.31 114.48 3hk0 h LEU 223 Ca 0.00 0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.82 3hk0 h LEU 223 Cb 0.86 0.05 -0.07 0.00 0.37 0.00 0.00 40.66 41.87 3hk0 h LEU 223 CO 0.00 -0.06 0.24 -0.61 -0.34 0.00 0.00 178.44 177.67 3hk0 h GLN 224 N -0.06 0.42 -0.31 1.25 4.15 -2.01 -0.72 115.11 117.83 3hk0 h GLN 224 Ca 0.02 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.40 3hk0 h GLN 224 Cb 0.09 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.67 3hk0 h GLN 224 CO -0.05 0.28 0.12 -0.91 -1.93 0.00 0.00 178.83 176.34 3hk0 h ASN 225 N 0.43 0.43 -0.27 -0.69 2.35 -1.90 -0.50 115.58 115.43 3hk0 h ASN 225 Ca 0.29 -0.17 -0.02 0.00 -0.55 0.00 0.00 56.30 55.85 3hk0 h ASN 225 Cb 0.32 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 3hk0 h ASN 225 CO -0.27 0.48 0.13 -0.26 -1.65 0.00 0.00 177.43 175.86 3hk0 h PHE 226 N 0.34 0.44 0.00 1.19 -1.00 -0.93 -2.78 116.94 114.20 3hk0 h PHE 226 Ca 0.10 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.87 3hk0 h PHE 226 Cb 0.19 -0.14 0.00 0.00 3.61 0.00 0.00 35.95 39.61 3hk0 h PHE 226 CO -0.00 0.35 -0.42 1.28 -1.61 0.00 0.00 178.31 177.91 3hk0 n LEU 227 N -4.41 0.45 -4.54 1.54 4.77 -0.32 -4.69 117.00 109.81 3hk0 n LEU 227 Ca 0.02 0.15 -0.43 0.00 -0.03 0.00 0.00 56.01 55.72 3hk0 n LEU 227 Cb 0.13 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.88 3hk0 n LEU 227 CO 0.36 0.06 0.50 0.21 -1.33 0.00 0.00 177.39 177.19 3hk0 s ASN 228 N -3.28 6.39 0.00 -1.43 2.47 -0.22 -4.44 114.94 114.42 3hk0 s ASN 228 Ca 0.11 -0.17 0.16 0.00 0.42 0.00 0.00 52.86 53.38 3hk0 s ASN 228 Cb 0.17 -2.36 0.86 0.00 -1.45 0.00 0.00 41.25 38.47 3hk0 s ASN 228 CO 0.67 -0.86 1.46 -1.54 -3.72 0.00 0.00 177.10 173.11 3hk0 n SER 229 N 6.54 0.00 -0.04 -4.21 3.41 -1.26 -1.63 113.62 116.43 3hk0 n SER 229 Ca 0.01 -0.06 0.11 0.00 -0.26 0.00 0.00 58.87 58.68 3hk0 n SER 229 Cb 0.48 -0.23 0.13 0.00 -0.26 0.00 0.00 64.21 64.33 3hk0 n SER 229 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 3hk0 n SER 230 N -1.23 0.77 -4.73 4.04 7.64 -1.26 -4.97 113.62 113.89 3hk0 n SER 230 Ca 0.09 -0.60 -0.32 0.00 1.01 0.00 0.00 58.87 59.05 3hk0 n SER 230 Cb 0.12 0.50 0.12 0.00 -1.01 0.00 0.00 64.21 63.93 3hk0 n SER 230 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3hk0 s SER 231 N -2.94 3.88 -0.83 6.43 1.04 -0.65 -5.00 113.70 115.63 3hk0 s SER 231 Ca 0.11 2.05 0.00 0.00 0.48 0.00 0.00 55.95 58.59 3hk0 s SER 231 Cb 0.17 -2.55 0.20 0.00 0.10 0.00 0.00 66.02 63.95 3hk0 s SER 231 CO 0.74 -2.46 0.69 -0.44 0.98 0.00 0.00 173.24 172.74 3hk0 s SER 232 N -2.89 5.65 0.53 7.02 0.01 -1.26 -4.99 113.70 117.77 3hk0 s SER 232 Ca 0.65 -3.72 -0.22 0.00 1.31 0.00 0.00 55.95 53.98 3hk0 s SER 232 Cb -0.21 -1.83 -0.05 0.00 0.21 0.00 0.00 66.02 64.13 3hk0 s SER 232 CO 0.54 -0.16 1.26 -2.16 0.41 0.00 0.00 173.24 173.13 3hk0 s PRO 233 N -1.32 3.31 -0.15 12.44 0.04 -1.26 -2.13 135.00 145.93 3hk0 s PRO 233 Ca 0.26 2.00 -0.02 0.00 0.04 0.00 0.00 61.00 63.28 3hk0 s PRO 233 Cb -0.07 -2.24 0.05 0.00 0.04 0.00 0.00 34.50 32.27 3hk0 s PRO 233 CO -0.13 -0.98 0.02 -1.21 0.04 0.00 0.00 177.00 174.73 3hk0 s GLU 234 N -2.92 0.71 -0.15 4.56 2.02 0.08 -4.47 118.70 118.53 3hk0 s GLU 234 Ca 0.70 -0.24 0.01 0.00 0.02 0.00 0.00 54.97 55.46 3hk0 s GLU 234 Cb -0.34 -1.70 0.00 0.00 0.10 0.00 0.00 34.13 32.18 3hk0 s GLU 234 CO 0.40 -0.50 -0.17 0.42 0.02 0.00 0.00 175.26 175.43 3hk0 s ILE 235 N 1.88 2.49 0.04 -1.63 1.09 -0.94 -0.10 121.20 124.03 3hk0 s ILE 235 Ca 0.01 -0.83 0.05 0.00 -1.10 0.00 0.00 60.65 58.78 3hk0 s ILE 235 Cb -0.15 -2.03 -0.02 0.00 -1.06 0.00 0.00 42.46 39.19 3hk0 s ILE 235 CO -0.07 0.53 -0.14 -1.10 -0.10 0.00 0.00 174.94 174.06 3hk0 s GLN 236 N 0.78 0.89 0.00 2.79 1.11 0.43 -0.31 119.66 125.34 3hk0 s GLN 236 Ca -0.07 -0.77 0.00 0.00 0.01 0.00 0.00 55.36 54.54 3hk0 s GLN 236 Cb -0.16 -0.89 0.00 0.00 -1.01 0.00 0.00 33.01 30.95 3hk0 s GLN 236 CO 0.00 0.22 0.00 0.41 0.01 0.00 0.00 175.29 175.93 3hk0 n GLY 237 N 1.83 2.46 3.75 3.09 0.00 -0.79 -4.56 105.19 110.97 3hk0 n GLY 237 Ca -0.18 -0.93 -0.40 0.00 0.00 0.00 0.00 46.02 44.50 3hk0 n GLY 237 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3hk0 s PHE 238 N -2.00 3.65 -0.02 1.61 0.40 -1.26 -0.20 117.98 120.16 3hk0 s PHE 238 Ca 0.00 1.71 -0.12 0.00 -0.60 0.00 0.00 56.93 57.92 3hk0 s PHE 238 Cb 0.00 -3.23 0.02 0.00 0.51 0.00 0.00 43.02 40.32 3hk0 s PHE 238 CO 0.00 -0.39 0.25 -0.51 0.70 0.00 0.00 175.22 175.27 3hk0 s LEU 239 N -1.08 1.08 0.01 -0.37 1.43 -0.48 -4.82 118.68 114.45 3hk0 s LEU 239 Ca 0.45 0.04 -0.30 0.00 -1.03 0.00 0.00 54.13 53.29 3hk0 s LEU 239 Cb -0.30 1.05 -0.04 0.00 0.03 0.00 0.00 46.19 46.92 3hk0 s LEU 239 CO 0.38 -0.39 1.17 -1.00 0.23 0.00 0.00 176.35 176.73 3hk0 s HIS 240 N -1.21 3.39 -0.16 0.29 3.76 -0.11 -1.00 115.29 120.25 3hk0 s HIS 240 Ca -0.13 1.33 0.00 0.00 -0.15 0.00 0.00 55.06 56.12 3hk0 s HIS 240 Cb -0.06 -3.37 -0.00 0.00 1.11 0.00 0.00 32.58 30.26 3hk0 s HIS 240 CO 0.03 -1.09 -0.15 0.08 -0.85 0.00 0.00 174.74 172.76 3hk0 s VAL 241 N 1.46 2.69 0.18 -0.90 1.01 -0.45 -0.12 120.40 124.27 3hk0 s VAL 241 Ca 0.57 -0.76 -0.25 0.00 0.00 0.00 0.00 61.98 61.54 3hk0 s VAL 241 Cb -0.26 -2.14 -0.08 0.00 0.00 0.00 0.00 36.38 33.90 3hk0 s VAL 241 CO 0.26 0.51 0.79 -0.75 0.00 0.00 0.00 175.10 175.91 3hk0 s LYS 242 N 0.86 4.56 0.28 2.72 2.20 -0.68 -1.60 119.74 128.08 3hk0 s LYS 242 Ca -0.04 1.16 -0.29 0.00 -0.36 0.00 0.00 55.97 56.44 3hk0 s LYS 242 Cb -0.15 -3.21 -0.09 0.00 -1.51 0.00 0.00 37.83 32.87 3hk0 s LYS 242 CO -0.01 0.54 1.01 -2.00 -0.36 0.00 0.00 175.35 174.53 3hk0 s GLU 243 N -1.26 4.70 -0.06 4.03 2.12 -0.48 -4.47 118.70 123.28 3hk0 s GLU 243 Ca 0.37 1.60 -0.38 0.00 0.36 0.00 0.00 54.97 56.92 3hk0 s GLU 243 Cb -0.23 -3.14 -0.16 0.00 0.26 0.00 0.00 34.13 30.87 3hk0 s GLU 243 CO 0.26 0.33 1.55 1.28 -0.54 0.00 0.00 175.26 178.14 3hk0 n LEU 244 N 1.16 2.19 0.00 2.70 4.32 -1.26 -2.46 117.00 123.65 3hk0 n LEU 244 Ca -0.01 1.09 0.00 0.00 -0.02 0.00 0.00 56.01 57.07 3hk0 n LEU 244 Cb 0.47 -1.21 0.00 0.00 -1.62 0.00 0.00 43.42 41.06 3hk0 n LEU 244 CO 0.51 -0.67 0.00 0.61 -1.22 0.00 0.00 177.39 176.61 3hk0 n GLY 245 N 3.37 0.40 3.25 -0.72 0.00 -0.88 -4.96 105.19 105.66 3hk0 n GLY 245 Ca 0.22 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 46.00 3hk0 n GLY 245 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hk0 s LYS 246 N -0.65 1.12 -0.19 1.61 1.02 -1.03 -4.92 119.74 116.70 3hk0 s LYS 246 Ca 0.00 -1.06 -0.05 0.00 0.02 0.00 0.00 55.97 54.88 3hk0 s LYS 246 Cb 0.00 -1.30 -0.14 0.00 -0.52 0.00 0.00 37.83 35.87 3hk0 s LYS 246 CO 0.00 0.31 3.29 0.36 -0.92 0.00 0.00 175.35 178.39 3hk0 n LYS 247 N 1.32 2.18 -4.51 1.68 -0.00 -1.26 -4.25 118.16 113.31 3hk0 n LYS 247 Ca -0.19 -1.54 -0.25 0.00 -0.00 0.00 0.00 58.31 56.33 3hk0 n LYS 247 Cb 0.54 -2.06 -0.17 0.00 -0.00 0.00 0.00 35.03 33.34 3hk0 n LYS 247 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 3hk0 s SER 248 N 1.36 1.78 0.18 -5.58 1.04 -1.26 -4.87 113.70 106.35 3hk0 s SER 248 Ca 0.64 -0.29 0.08 0.00 0.48 0.00 0.00 55.95 56.85 3hk0 s SER 248 Cb 0.34 -0.82 -0.04 0.00 0.10 0.00 0.00 66.02 65.61 3hk0 s SER 248 CO -0.09 0.02 -0.03 0.26 0.98 0.00 0.00 173.24 174.38 3hk0 s TRP 249 N 0.76 2.77 -0.13 5.02 0.52 -1.26 -1.38 118.94 125.24 3hk0 s TRP 249 Ca -0.13 -0.17 -0.07 0.00 0.02 0.00 0.00 56.10 55.75 3hk0 s TRP 249 Cb -0.15 -1.33 0.05 0.00 -1.15 0.00 0.00 33.47 30.88 3hk0 s TRP 249 CO 0.03 0.52 0.30 0.15 0.02 0.00 0.00 176.95 177.97 3hk0 s LYS 250 N -2.97 0.28 0.03 4.98 1.02 -0.62 -4.96 119.74 117.49 3hk0 s LYS 250 Ca 0.27 0.60 -0.30 0.00 0.02 0.00 0.00 55.97 56.55 3hk0 s LYS 250 Cb -0.09 -0.06 -0.06 0.00 -0.52 0.00 0.00 37.83 37.11 3hk0 s LYS 250 CO 0.18 -0.15 1.36 0.21 -0.92 0.00 0.00 175.35 176.03 3hk0 s LYS 251 N 1.17 4.31 0.02 1.68 2.20 -1.26 -1.34 119.74 126.53 3hk0 s LYS 251 Ca -0.08 1.95 0.00 0.00 -0.36 0.00 0.00 55.97 57.48 3hk0 s LYS 251 Cb -0.09 -3.47 -0.02 0.00 -1.51 0.00 0.00 37.83 32.74 3hk0 s LYS 251 CO -0.09 -0.50 -0.04 -0.51 -0.36 0.00 0.00 175.35 173.86 3hk0 s LEU 252 N 1.94 2.24 -0.20 5.43 1.43 -0.17 -4.96 118.68 124.39 3hk0 s LEU 252 Ca 0.63 -0.51 -0.29 0.00 -1.03 0.00 0.00 54.13 52.93 3hk0 s LEU 252 Cb -0.32 0.06 -0.00 0.00 0.03 0.00 0.00 46.19 45.96 3hk0 s LEU 252 CO 0.27 -0.29 1.19 -0.47 0.23 0.00 0.00 176.35 177.29 3hk0 s TYR 253 N -1.45 3.00 -0.07 0.29 5.04 -1.26 -1.38 117.35 121.51 3hk0 s TYR 253 Ca -0.15 1.15 0.01 0.00 -2.44 0.00 0.00 57.07 55.63 3hk0 s TYR 253 Cb -0.10 -3.47 -0.03 0.00 0.35 0.00 0.00 41.96 38.72 3hk0 s TYR 253 CO -0.01 -1.30 -0.08 0.08 -1.34 0.00 0.00 175.55 172.91 3hk0 s VAL 254 N 3.47 3.61 -0.16 3.14 1.01 0.72 -0.43 120.40 131.77 3hk0 s VAL 254 Ca 0.51 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 3hk0 s VAL 254 Cb -0.19 -2.48 0.05 0.00 0.00 0.00 0.00 36.38 33.76 3hk0 s VAL 254 CO 0.12 0.59 -0.00 0.00 0.00 0.00 0.00 175.10 175.81 3hk0 s LEU 256 N 1.79 4.28 0.18 0.00 0.20 0.57 0.13 118.68 125.82 3hk0 s LEU 256 Ca 0.00 0.49 -0.00 0.00 0.69 0.00 0.00 54.13 55.32 3hk0 s LEU 256 Cb -0.16 -2.30 -0.04 0.00 -0.43 0.00 0.00 46.19 43.26 3hk0 s LEU 256 CO -0.07 0.17 0.07 -0.13 -0.29 0.00 0.00 176.35 176.10 3hk0 s ARG 257 N 0.12 1.10 0.51 1.98 3.00 -0.05 -2.21 118.95 123.41 3hk0 s ARG 257 Ca 0.15 -1.56 0.26 0.00 0.00 0.00 0.00 55.73 54.59 3hk0 s ARG 257 Cb -0.13 0.07 1.36 0.00 0.00 0.00 0.00 34.95 36.26 3hk0 s ARG 257 CO 0.04 -0.27 1.92 0.00 0.00 0.00 0.00 175.30 176.98 3hk0 h ARG 258 N 2.70 0.09 0.00 3.54 3.08 -1.94 -0.82 114.38 121.02 3hk0 h ARG 258 Ca -0.36 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.68 3hk0 h ARG 258 Cb 1.22 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.25 3hk0 h ARG 258 CO 0.58 0.06 -0.04 -1.13 -1.07 0.00 0.00 179.97 178.38 3hk0 n SER 259 N -4.36 0.07 0.00 7.04 3.41 -1.26 -4.80 113.62 113.73 3hk0 n SER 259 Ca 0.15 0.45 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 3hk0 n SER 259 Cb 0.77 -0.46 0.00 0.00 -0.26 0.00 0.00 64.21 64.26 3hk0 n SER 259 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3hk0 n GLY 260 N 1.49 -1.35 3.50 5.00 0.00 -0.31 -4.66 105.19 108.86 3hk0 n GLY 260 Ca 0.07 -1.50 -0.36 0.00 0.00 0.00 0.00 46.02 44.23 3hk0 n GLY 260 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3hk0 s LEU 261 N 0.00 3.54 0.36 0.99 2.96 0.31 -0.87 118.68 125.97 3hk0 s LEU 261 Ca 0.00 -0.12 0.09 0.00 -0.22 0.00 0.00 54.13 53.88 3hk0 s LEU 261 Cb 0.00 -1.93 -0.07 0.00 0.50 0.00 0.00 46.19 44.70 3hk0 s LEU 261 CO 0.00 0.04 -0.06 -0.31 -1.32 0.00 0.00 176.35 174.70 3hk0 s TYR 262 N 1.20 2.45 0.06 5.38 1.51 0.12 0.06 117.35 128.13 3hk0 s TYR 262 Ca 0.04 -0.52 0.04 0.00 -1.01 0.00 0.00 57.07 55.62 3hk0 s TYR 262 Cb -0.14 -1.48 -0.03 0.00 -0.11 0.00 0.00 41.96 40.20 3hk0 s TYR 262 CO 0.03 0.54 -0.11 0.00 -1.11 0.00 0.00 175.55 174.89 3hk0 s SER 264 N -1.78 7.54 0.00 0.00 0.15 0.43 -1.36 113.70 118.68 3hk0 s SER 264 Ca -0.04 1.97 0.23 0.00 0.70 0.00 0.00 55.95 58.81 3hk0 s SER 264 Cb -0.09 -2.61 0.51 0.00 -1.71 0.00 0.00 66.02 62.12 3hk0 s SER 264 CO 0.01 0.04 1.44 0.35 1.20 0.00 0.00 173.24 176.28 3hk0 n THR 265 N 1.81 0.37 -3.34 6.45 -2.24 0.98 -4.66 114.28 113.65 3hk0 n THR 265 Ca -0.01 -0.60 -0.14 0.00 -2.27 0.00 0.00 64.05 61.03 3hk0 n THR 265 Cb 0.47 0.83 -0.07 0.00 -2.10 0.00 0.00 70.33 69.46 3hk0 n THR 265 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3hk0 s LYS 266 N -1.63 0.62 6.02 -0.78 2.20 -1.26 -5.10 119.74 119.81 3hk0 s LYS 266 Ca 0.36 -0.67 0.00 0.00 -0.36 0.00 0.00 55.97 55.30 3hk0 s LYS 266 Cb 0.21 -0.60 0.00 0.00 -1.51 0.00 0.00 37.83 35.93 3hk0 s LYS 266 CO 0.30 -1.17 0.00 0.41 -0.36 0.00 0.00 175.35 174.53 3hk0 n GLY 267 N 4.42 3.54 0.76 5.54 0.00 -1.26 -1.68 105.19 116.50 3hk0 n GLY 267 Ca 0.09 0.24 0.08 0.00 0.00 0.00 0.00 46.02 46.43 3hk0 n GLY 267 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3hk0 n THR 268 N 0.00 2.23 -2.35 2.61 -2.24 -1.26 -4.43 114.28 108.84 3hk0 n THR 268 Ca 0.00 -2.00 -0.43 0.00 -2.27 0.00 0.00 64.05 59.36 3hk0 n THR 268 Cb 0.00 -0.26 -0.02 0.00 -2.10 0.00 0.00 70.33 67.95 3hk0 n THR 268 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3hk0 s SER 269 N -2.14 6.85 -0.10 3.42 0.15 -0.68 -4.88 113.70 116.32 3hk0 s SER 269 Ca 0.41 1.70 0.13 0.00 0.70 0.00 0.00 55.95 58.88 3hk0 s SER 269 Cb 0.33 -2.54 0.56 0.00 -1.71 0.00 0.00 66.02 62.67 3hk0 s SER 269 CO 0.07 -0.85 1.42 0.00 1.20 0.00 0.00 173.24 175.08 3hk0 n ALA 270 N 6.89 3.08 -1.78 5.45 0.00 -1.26 -4.65 120.51 128.24 3hk0 n ALA 270 Ca 0.15 -1.23 -0.41 0.00 0.00 0.00 0.00 53.44 51.95 3hk0 n ALA 270 Cb 0.45 -1.04 -0.01 0.00 0.00 0.00 0.00 19.45 18.85 3hk0 n ALA 270 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hk0 s ALA 271 N -1.88 3.56 0.23 0.00 0.00 -1.26 -4.84 121.76 117.56 3hk0 s ALA 271 Ca 0.39 1.49 -0.07 0.00 0.00 0.00 0.00 51.96 53.77 3hk0 s ALA 271 Cb 0.26 -3.58 0.37 0.00 0.00 0.00 0.00 23.12 20.18 3hk0 s ALA 271 CO 0.17 -0.95 1.72 -1.35 0.00 0.00 0.00 175.76 175.35 3hk0 h PRO 272 N 3.14 0.34 0.00 0.00 0.11 -1.94 0.17 132.00 133.81 3hk0 h PRO 272 Ca -0.50 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.59 3hk0 h PRO 272 Cb 1.24 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3hk0 h PRO 272 CO 0.65 0.22 0.00 0.07 -0.21 0.00 0.00 178.00 178.73 3hk0 h ARG 273 N 0.35 0.00 -0.24 1.05 0.11 -1.98 -1.41 114.38 112.26 3hk0 h ARG 273 Ca 0.36 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.44 3hk0 h ARG 273 Cb 0.55 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.63 3hk0 h ARG 273 CO -0.41 0.00 0.00 0.72 0.10 0.00 0.00 179.97 180.38 3hk0 n HIS 274 N -2.60 0.31 -3.72 4.08 8.25 0.51 -4.97 115.22 117.08 3hk0 n HIS 274 Ca -0.02 -0.25 -0.36 0.00 -0.26 0.00 0.00 57.72 56.84 3hk0 n HIS 274 Cb 0.07 -0.01 -0.09 0.00 1.12 0.00 0.00 29.99 31.08 3hk0 n HIS 274 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hk0 s LEU 275 N -1.11 4.14 -0.18 2.41 1.43 -0.53 -0.02 118.68 124.83 3hk0 s LEU 275 Ca 0.24 0.17 -0.05 0.00 -1.03 0.00 0.00 54.13 53.46 3hk0 s LEU 275 Cb 0.14 -2.09 -0.03 0.00 0.03 0.00 0.00 46.19 44.24 3hk0 s LEU 275 CO 0.20 0.14 0.00 -1.58 0.23 0.00 0.00 176.35 175.33 3hk0 s GLN 276 N 0.62 3.72 -0.03 1.70 0.74 -0.46 -4.95 119.66 121.00 3hk0 s GLN 276 Ca 0.07 -0.48 -0.30 0.00 0.05 0.00 0.00 55.36 54.70 3hk0 s GLN 276 Cb -0.12 -3.06 -0.05 0.00 1.10 0.00 0.00 33.01 30.89 3hk0 s GLN 276 CO 0.01 0.15 1.35 -1.17 -0.55 0.00 0.00 175.29 175.07 3hk0 s LEU 277 N 0.65 4.30 -0.23 3.68 2.96 -1.26 -1.77 118.68 127.01 3hk0 s LEU 277 Ca -0.00 2.01 -0.15 0.00 -0.22 0.00 0.00 54.13 55.76 3hk0 s LEU 277 Cb -0.14 -3.56 -0.09 0.00 0.50 0.00 0.00 46.19 42.90 3hk0 s LEU 277 CO 0.02 -0.69 -0.35 0.18 -1.32 0.00 0.00 176.35 174.19 3hk0 n LEU 278 N 5.48 1.91 -3.90 -0.68 4.77 0.11 -4.97 117.00 119.72 3hk0 n LEU 278 Ca 0.13 0.33 -0.19 0.00 -0.03 0.00 0.00 56.01 56.25 3hk0 n LEU 278 Cb 0.44 -0.77 -0.16 0.00 -2.33 0.00 0.00 43.42 40.61 3hk0 n LEU 278 CO 0.58 0.17 -0.40 0.00 -1.33 0.00 0.00 177.39 176.40 3hk0 s ALA 279 N -2.68 0.60 0.63 -1.18 0.00 -0.97 -4.99 121.76 113.17 3hk0 s ALA 279 Ca -0.33 -0.05 -0.17 0.00 0.00 0.00 0.00 51.96 51.41 3hk0 s ALA 279 Cb 0.10 -0.35 -0.01 0.00 0.00 0.00 0.00 23.12 22.85 3hk0 s ALA 279 CO 0.45 0.01 1.15 0.34 0.00 0.00 0.00 175.76 177.71 3hk0 s ASP 280 N 0.74 5.09 -0.01 0.00 -1.08 -1.26 -0.53 116.67 119.63 3hk0 s ASP 280 Ca -0.09 2.19 0.11 0.00 -0.52 0.00 0.00 52.55 54.24 3hk0 s ASP 280 Cb -0.13 -2.58 -0.16 0.00 -1.46 0.00 0.00 42.92 38.60 3hk0 s ASP 280 CO -0.00 -1.65 0.35 0.18 0.52 0.00 0.00 175.17 174.57 3hk0 n LEU 281 N -2.03 0.22 -4.74 -1.34 4.77 -1.26 -4.85 117.00 107.77 3hk0 n LEU 281 Ca 0.12 -0.21 -0.42 0.00 -0.03 0.00 0.00 56.01 55.47 3hk0 n LEU 281 Cb 0.51 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.59 3hk0 n LEU 281 CO 0.46 0.06 1.11 -0.62 -1.33 0.00 0.00 177.39 177.07 3hk0 n GLU 282 N -1.63 2.52 -3.76 3.23 1.02 -1.26 -3.25 120.64 117.51 3hk0 n GLU 282 Ca -0.00 0.89 -0.24 0.00 -0.02 0.00 0.00 57.16 57.79 3hk0 n GLU 282 Cb 0.25 -2.60 0.02 0.00 -0.02 0.00 0.00 31.44 29.09 3hk0 n GLU 282 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 3hk0 n ASP 283 N 1.21 -1.64 -3.74 1.62 2.03 -1.26 -4.88 116.55 109.89 3hk0 n ASP 283 Ca 0.05 -0.90 -0.11 0.00 0.52 0.00 0.00 54.79 54.35 3hk0 n ASP 283 Cb 0.37 -3.71 -0.05 0.00 -0.72 0.00 0.00 41.12 37.00 3hk0 n ASP 283 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 3hk0 s SER 284 N -4.22 0.29 0.04 1.67 1.04 -1.20 -1.00 113.70 110.32 3hk0 s SER 284 Ca 0.08 -1.19 -0.01 0.00 0.48 0.00 0.00 55.95 55.31 3hk0 s SER 284 Cb -0.03 0.59 -0.03 0.00 0.10 0.00 0.00 66.02 66.65 3hk0 s SER 284 CO 0.84 -1.17 -0.02 0.20 0.98 0.00 0.00 173.24 174.07 3hk0 s ASN 285 N -3.12 0.39 -0.10 7.02 0.01 -0.76 -4.89 114.94 113.49 3hk0 s ASN 285 Ca 0.27 -0.80 -0.18 0.00 -0.71 0.00 0.00 52.86 51.44 3hk0 s ASN 285 Cb 0.00 0.17 -0.04 0.00 0.41 0.00 0.00 41.25 41.79 3hk0 s ASN 285 CO 0.13 -0.49 0.49 -0.51 -1.51 0.00 0.00 177.10 175.21 3hk0 s ILE 286 N -3.02 5.15 0.04 0.60 1.10 -1.26 -1.88 121.20 121.93 3hk0 s ILE 286 Ca -0.01 0.98 0.09 0.00 -0.51 0.00 0.00 60.65 61.20 3hk0 s ILE 286 Cb 0.01 -3.83 -0.03 0.00 0.15 0.00 0.00 42.46 38.77 3hk0 s ILE 286 CO -0.07 0.35 -0.25 -0.36 -2.11 0.00 0.00 174.94 172.50 3hk0 s PHE 287 N 0.45 2.23 0.23 3.50 0.40 0.21 -4.82 117.98 120.16 3hk0 s PHE 287 Ca 0.27 -0.41 -0.30 0.00 -0.60 0.00 0.00 56.93 55.89 3hk0 s PHE 287 Cb -0.16 -1.35 -0.09 0.00 0.51 0.00 0.00 43.02 41.94 3hk0 s PHE 287 CO 0.11 0.10 1.05 0.45 0.70 0.00 0.00 175.22 177.63 3hk0 s SER 288 N -1.14 7.38 -0.52 1.36 0.15 0.13 0.50 113.70 121.56 3hk0 s SER 288 Ca 0.11 2.10 -0.23 0.00 0.70 0.00 0.00 55.95 58.62 3hk0 s SER 288 Cb -0.10 -2.61 0.04 0.00 -1.71 0.00 0.00 66.02 61.64 3hk0 s SER 288 CO 0.02 -0.08 0.85 -0.22 1.20 0.00 0.00 173.24 175.01 3hk0 s LEU 289 N -0.94 4.30 -0.02 3.45 2.96 -0.02 -1.11 118.68 127.30 3hk0 s LEU 289 Ca 0.45 -0.42 0.09 0.00 -0.22 0.00 0.00 54.13 54.04 3hk0 s LEU 289 Cb -0.29 -2.78 -0.23 0.00 0.50 0.00 0.00 46.19 43.39 3hk0 s LEU 289 CO 0.36 -1.11 0.74 0.16 -1.32 0.00 0.00 176.35 175.19 3hk0 h ILE 290 N 5.98 0.98 0.00 6.68 3.07 -1.71 -3.38 117.51 129.13 3hk0 h ILE 290 Ca -0.26 -2.79 0.00 0.00 1.55 0.00 0.00 64.86 63.36 3hk0 h ILE 290 Cb 1.08 2.51 -0.00 0.00 -0.27 0.00 0.00 36.82 40.14 3hk0 h ILE 290 CO 1.04 0.61 -0.02 0.00 -1.05 0.00 0.00 178.15 178.73 3hk0 h ALA 291 N 0.90 -0.02 -0.69 0.16 0.00 -1.84 -3.47 119.26 114.30 3hk0 h ALA 291 Ca -0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.66 3hk0 h ALA 291 Cb 1.98 0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.80 3hk0 h ALA 291 CO 0.09 -0.52 0.00 0.41 0.00 0.00 0.00 179.25 179.24 3hk0 n GLY 292 N -1.11 2.87 0.19 0.00 0.00 -1.26 -3.76 105.19 102.11 3hk0 n GLY 292 Ca -0.07 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.67 3hk0 n GLY 292 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3hk0 h ARG 293 N 0.00 0.53 -0.13 1.61 2.47 -1.81 -3.18 114.38 113.87 3hk0 h ARG 293 Ca 0.00 -0.03 -0.11 0.00 -1.26 0.00 0.00 59.98 58.57 3hk0 h ARG 293 Cb 0.00 -0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.20 3hk0 h ARG 293 CO 0.00 0.35 -0.37 0.87 0.56 0.00 0.00 179.97 181.38 3hk0 h LYS 294 N 0.54 0.47 0.11 0.04 1.79 -1.92 -2.84 116.57 114.76 3hk0 h LYS 294 Ca 0.19 -0.34 -0.23 0.00 -2.18 0.00 0.00 60.65 58.09 3hk0 h LYS 294 Cb 0.02 0.06 0.02 0.00 -1.58 0.00 0.00 32.23 30.75 3hk0 h LYS 294 CO -0.09 0.96 -0.96 0.37 -1.08 0.00 0.00 179.45 178.65 3hk0 h GLN 295 N 0.07 0.46 -0.16 3.15 4.15 -1.72 -3.37 115.11 117.69 3hk0 h GLN 295 Ca -0.01 -0.64 0.00 0.00 0.77 0.00 0.00 58.65 58.77 3hk0 h GLN 295 Cb 0.99 0.22 0.00 0.00 0.21 0.00 0.00 27.48 28.89 3hk0 h GLN 295 CO 0.08 1.27 0.00 0.66 -1.93 0.00 0.00 178.83 178.91 3hk0 n TYR 296 N -4.01 0.27 -3.90 3.99 4.01 -1.20 -4.97 117.16 111.35 3hk0 n TYR 296 Ca -0.13 -0.57 -0.28 0.00 -0.16 0.00 0.00 57.90 56.75 3hk0 n TYR 296 Cb 0.86 -0.07 0.02 0.00 -0.31 0.00 0.00 39.34 39.84 3hk0 n TYR 296 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3hk0 n ASN 297 N -0.16 -3.47 -4.75 7.72 5.15 -1.07 -4.75 115.26 113.94 3hk0 n ASN 297 Ca 0.08 -0.83 -0.41 0.00 -0.60 0.00 0.00 54.58 52.82 3hk0 n ASN 297 Cb 0.41 -3.75 -0.03 0.00 -0.53 0.00 0.00 39.78 35.88 3hk0 n ASN 297 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3hk0 s ALA 298 N -3.44 3.57 0.37 5.20 0.00 -1.22 -4.93 121.76 121.31 3hk0 s ALA 298 Ca 0.47 1.23 0.15 0.00 0.00 0.00 0.00 51.96 53.82 3hk0 s ALA 298 Cb -0.24 -3.51 0.86 0.00 0.00 0.00 0.00 23.12 20.23 3hk0 s ALA 298 CO 0.84 -0.64 1.88 -1.35 0.00 0.00 0.00 175.76 176.48 3hk0 h PRO 299 N 4.84 0.00 -4.84 0.00 0.11 -1.92 -3.41 132.00 126.78 3hk0 h PRO 299 Ca -0.46 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.26 3hk0 h PRO 299 Cb 1.22 0.00 -0.14 0.00 0.11 0.00 0.00 31.00 32.19 3hk0 h PRO 299 CO 0.75 0.31 -0.56 0.95 -0.21 0.00 0.00 178.00 179.24 3hk0 s THR 300 N -4.20 0.25 -1.06 -1.15 -4.23 -1.26 -5.03 115.64 98.95 3hk0 s THR 300 Ca -0.03 -2.00 0.28 0.00 -1.18 0.00 0.00 61.69 58.76 3hk0 s THR 300 Cb 0.14 -2.52 0.27 0.00 1.34 0.00 0.00 72.50 71.73 3hk0 s THR 300 CO 0.70 0.00 1.90 0.47 -0.54 0.00 0.00 174.62 177.15 3hk0 n ASP 301 N -0.87 0.00 -3.36 3.99 10.43 -1.26 -4.47 116.55 121.01 3hk0 n ASP 301 Ca 0.02 0.41 -0.36 0.00 2.57 0.00 0.00 54.79 57.43 3hk0 n ASP 301 Cb 0.65 -0.47 -0.00 0.00 1.84 0.00 0.00 41.12 43.14 3hk0 n ASP 301 CO 0.00 0.00 0.00 1.41 -1.07 0.00 0.00 177.20 177.54 3hk0 n HIS 302 N -1.47 3.27 -3.60 1.24 8.25 -1.26 -4.98 115.22 116.67 3hk0 n HIS 302 Ca 0.08 -3.11 -0.34 0.00 -0.26 0.00 0.00 57.72 54.09 3hk0 n HIS 302 Cb 0.31 -0.92 -0.05 0.00 1.12 0.00 0.00 29.99 30.44 3hk0 n HIS 302 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 3hk0 s GLY 303 N -2.17 2.31 0.32 -1.41 0.00 -1.26 -0.92 107.32 104.19 3hk0 s GLY 303 Ca 0.43 -0.42 0.03 0.00 0.00 0.00 0.00 44.72 44.76 3hk0 s GLY 303 CO -0.14 -0.23 0.10 0.48 0.00 0.00 0.00 173.10 173.31 3hk0 s LEU 304 N -2.07 1.90 -0.16 0.66 2.34 -0.06 -0.84 118.68 120.44 3hk0 s LEU 304 Ca 0.35 -1.46 -0.10 0.00 0.06 0.00 0.00 54.13 52.97 3hk0 s LEU 304 Cb -0.13 -0.12 0.05 0.00 -0.56 0.00 0.00 46.19 45.43 3hk0 s LEU 304 CO 0.19 -0.75 0.39 0.00 -1.06 0.00 0.00 176.35 175.13 3hk0 s ILE 306 N 1.13 4.52 -0.27 0.00 1.01 -0.94 0.63 121.20 127.29 3hk0 s ILE 306 Ca -0.07 0.15 -0.10 0.00 0.00 0.00 0.00 60.65 60.63 3hk0 s ILE 306 Cb -0.07 -4.46 -0.04 0.00 0.01 0.00 0.00 42.46 37.89 3hk0 s ILE 306 CO -0.10 -0.99 0.16 -0.75 0.00 0.00 0.00 174.94 173.26 3hk0 s LYS 307 N 3.59 3.89 0.29 2.79 2.20 -0.79 -3.19 119.74 128.52 3hk0 s LYS 307 Ca 0.27 -0.35 -0.29 0.00 -0.36 0.00 0.00 55.97 55.24 3hk0 s LYS 307 Cb -0.14 -3.56 -0.10 0.00 -1.51 0.00 0.00 37.83 32.52 3hk0 s LYS 307 CO 0.18 -0.15 1.41 -2.14 -0.36 0.00 0.00 175.35 174.30 3hk0 s PRO 308 N 1.62 4.27 0.42 4.03 0.02 -1.26 -1.83 135.00 142.27 3hk0 s PRO 308 Ca 0.07 2.32 0.15 0.00 0.02 0.00 0.00 61.00 63.56 3hk0 s PRO 308 Cb -0.15 -3.08 1.03 0.00 0.02 0.00 0.00 34.50 32.32 3hk0 s PRO 308 CO 0.08 -0.37 1.92 -0.91 -0.33 0.00 0.00 177.00 177.39 3hk0 h ASN 309 N 4.29 0.41 0.34 2.53 2.35 -1.41 -2.13 115.58 121.96 3hk0 h ASN 309 Ca -0.47 0.02 -0.01 0.00 -0.55 0.00 0.00 56.30 55.29 3hk0 h ASN 309 Cb 1.22 -0.06 -0.00 0.00 0.05 0.00 0.00 38.32 39.53 3hk0 h ASN 309 CO 0.72 0.22 -0.04 0.11 -1.65 0.00 0.00 177.43 176.79 3hk0 h LYS 310 N 0.44 0.00 -6.66 0.81 6.56 -1.92 -3.44 116.57 112.36 3hk0 h LYS 310 Ca 0.37 0.00 -0.53 0.00 -1.06 0.00 0.00 60.65 59.44 3hk0 h LYS 310 Cb 0.82 0.00 0.05 0.00 -0.57 0.00 0.00 32.23 32.53 3hk0 h LYS 310 CO -0.12 0.04 0.84 0.08 -2.06 0.00 0.00 179.45 178.23 3hk0 s VAL 311 N -4.11 2.61 0.05 0.50 1.01 -0.80 -4.93 120.40 114.72 3hk0 s VAL 311 Ca -0.03 0.46 -0.02 0.00 0.00 0.00 0.00 61.98 62.40 3hk0 s VAL 311 Cb 0.12 -3.30 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 3hk0 s VAL 311 CO 0.51 0.05 -0.04 0.54 0.00 0.00 0.00 175.10 176.16 3hk0 n ARG 312 N 3.38 0.06 0.00 2.72 5.12 -1.26 -4.93 116.66 121.74 3hk0 n ARG 312 Ca 0.11 0.02 0.00 0.00 -1.93 0.00 0.00 57.85 56.06 3hk0 n ARG 312 Cb 0.39 -0.50 0.00 0.00 -1.16 0.00 0.00 32.46 31.19 3hk0 n ARG 312 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 3hk0 n ASN 313 N -3.38 3.58 -4.65 0.55 3.02 -1.26 -4.71 115.26 108.40 3hk0 n ASN 313 Ca -0.01 -0.12 -0.42 0.00 -0.03 0.00 0.00 54.58 53.99 3hk0 n ASN 313 Cb 0.06 0.95 -0.03 0.00 -0.61 0.00 0.00 39.78 40.14 3hk0 n ASN 313 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3hk0 s GLU 314 N -1.67 4.23 0.29 3.52 0.41 -1.26 -4.92 118.70 119.31 3hk0 s GLU 314 Ca 0.00 1.16 0.20 0.00 -0.41 0.00 0.00 54.97 55.92 3hk0 s GLU 314 Cb 0.00 -3.64 0.12 0.00 -1.78 0.00 0.00 34.13 28.84 3hk0 s GLU 314 CO 0.00 -0.56 1.33 1.79 -0.49 0.00 0.00 175.26 177.34 3hk0 h THR 315 N 5.42 0.30 -0.98 3.63 1.35 -1.97 -3.38 112.91 117.28 3hk0 h THR 315 Ca -0.22 -1.47 0.25 0.00 -0.55 0.00 0.00 66.41 64.42 3hk0 h THR 315 Cb 1.08 2.01 -0.07 0.00 -1.73 0.00 0.00 68.15 69.44 3hk0 h THR 315 CO 0.92 0.17 0.65 0.11 -0.25 0.00 0.00 175.52 177.13 3hk0 h LYS 316 N 0.00 0.32 -0.64 4.72 1.57 -1.91 0.95 116.57 121.59 3hk0 h LYS 316 Ca -0.02 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 3hk0 h LYS 316 Cb 1.18 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.42 3hk0 h LYS 316 CO 0.02 0.21 0.00 0.39 -0.57 0.00 0.00 179.45 179.50 3hk0 n GLU 317 N -4.50 2.95 -2.64 3.15 1.02 -1.26 -2.07 120.64 117.29 3hk0 n GLU 317 Ca 0.22 -2.38 -0.42 0.00 -0.02 0.00 0.00 57.16 54.56 3hk0 n GLU 317 Cb 0.84 -1.67 -0.03 0.00 -0.02 0.00 0.00 31.44 30.57 3hk0 n GLU 317 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3hk0 s LEU 318 N -1.35 4.38 -0.56 -4.62 1.02 0.33 -4.74 118.68 113.14 3hk0 s LEU 318 Ca 0.43 1.76 -0.16 0.00 0.02 0.00 0.00 54.13 56.19 3hk0 s LEU 318 Cb 0.25 -3.57 0.14 0.00 0.02 0.00 0.00 46.19 43.03 3hk0 s LEU 318 CO 0.25 -0.29 0.51 -0.13 0.02 0.00 0.00 176.35 176.71 3hk0 s ARG 319 N 0.91 3.02 0.06 1.70 1.81 -1.19 -4.63 118.95 120.62 3hk0 s ARG 319 Ca 0.53 -1.76 -0.16 0.00 -1.72 0.00 0.00 55.73 52.62 3hk0 s ARG 319 Cb -0.23 -4.30 -0.06 0.00 -0.45 0.00 0.00 34.95 29.90 3hk0 s ARG 319 CO 0.29 -1.32 0.48 -0.51 -0.68 0.00 0.00 175.30 173.55 3hk0 s LEU 320 N 1.50 4.46 0.06 2.53 1.02 -1.26 -2.21 118.68 124.78 3hk0 s LEU 320 Ca 0.04 1.07 0.04 0.00 0.02 0.00 0.00 54.13 55.30 3hk0 s LEU 320 Cb -0.29 -2.83 -0.03 0.00 0.02 0.00 0.00 46.19 43.06 3hk0 s LEU 320 CO 0.02 0.26 -0.12 -0.76 0.02 0.00 0.00 176.35 175.77 3hk0 s LEU 321 N -1.31 2.26 -0.10 1.79 1.43 -0.08 -1.69 118.68 120.98 3hk0 s LEU 321 Ca 0.29 -0.57 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 3hk0 s LEU 321 Cb -0.17 -0.40 0.03 0.00 0.03 0.00 0.00 46.19 45.67 3hk0 s LEU 321 CO 0.17 -0.11 -0.02 0.00 0.23 0.00 0.00 176.35 176.61 3hk0 s ALA 323 N 1.86 3.29 -0.33 0.00 0.00 -0.10 -0.93 121.76 125.56 3hk0 s ALA 323 Ca 0.04 -0.44 0.25 0.00 0.00 0.00 0.00 51.96 51.82 3hk0 s ALA 323 Cb -0.13 -2.73 0.58 0.00 0.00 0.00 0.00 23.12 20.85 3hk0 s ALA 323 CO -0.06 -0.55 1.70 1.49 0.00 0.00 0.00 175.76 178.33 3hk0 h GLU 324 N -0.02 0.00 -3.31 0.00 4.57 -1.88 -3.39 114.58 110.56 3hk0 h GLU 324 Ca -0.46 0.00 -0.00 0.00 -1.18 0.00 0.00 59.36 57.72 3hk0 h GLU 324 Cb 1.21 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.74 3hk0 h GLU 324 CO 0.62 0.00 0.08 0.16 -1.18 0.00 0.00 179.01 178.68 3hk0 s ASP 325 N -6.05 -0.12 0.07 1.04 -4.77 -1.26 -4.98 116.67 100.60 3hk0 s ASP 325 Ca 0.06 -0.82 -0.27 0.00 -3.30 0.00 0.00 52.55 48.21 3hk0 s ASP 325 Cb 0.06 0.68 -0.17 0.00 -1.09 0.00 0.00 42.92 42.40 3hk0 s ASP 325 CO 0.64 -1.30 1.61 -0.08 0.70 0.00 0.00 175.17 176.74 3hk0 h GLU 326 N 2.11 -0.38 -0.62 2.11 4.57 -1.95 -2.45 114.58 117.97 3hk0 h GLU 326 Ca -0.23 0.03 0.11 0.00 -1.18 0.00 0.00 59.36 58.08 3hk0 h GLU 326 Cb 1.25 0.09 -0.08 0.00 -0.16 0.00 0.00 28.75 29.84 3hk0 h GLU 326 CO 0.30 -0.20 0.19 1.96 -1.18 0.00 0.00 179.01 180.08 3hk0 h GLN 327 N -0.46 0.33 -0.90 1.92 7.50 -1.99 0.03 115.11 121.54 3hk0 h GLN 327 Ca -0.04 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.09 3hk0 h GLN 327 Cb 0.35 -0.07 -0.04 0.00 0.05 0.00 0.00 27.48 27.76 3hk0 h GLN 327 CO 0.07 0.22 0.57 1.15 -1.50 0.00 0.00 178.83 179.33 3hk0 h THR 328 N 0.34 1.24 0.08 -0.54 2.02 -1.97 -0.58 112.91 113.50 3hk0 h THR 328 Ca 0.32 -0.48 -0.00 0.00 0.77 0.00 0.00 66.41 67.02 3hk0 h THR 328 Cb 0.45 -0.06 0.00 0.00 -1.74 0.00 0.00 68.15 66.80 3hk0 h THR 328 CO -0.36 0.24 -0.04 -0.09 0.37 0.00 0.00 175.52 175.64 3hk0 h ARG 329 N 1.23 -0.10 -0.91 6.66 2.43 -0.57 -2.58 114.38 120.55 3hk0 h ARG 329 Ca 0.33 0.01 0.12 0.00 -0.81 0.00 0.00 59.98 59.63 3hk0 h ARG 329 Cb -0.10 0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.39 3hk0 h ARG 329 CO -0.07 0.12 0.54 1.15 -1.51 0.00 0.00 179.97 180.20 3hk0 h THR 330 N -0.30 0.86 -0.04 0.20 2.02 -0.86 -1.91 112.91 112.88 3hk0 h THR 330 Ca -0.01 -0.29 0.01 0.00 0.77 0.00 0.00 66.41 66.89 3hk0 h THR 330 Cb 0.26 -0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 66.61 3hk0 h THR 330 CO 0.02 0.15 -0.00 0.28 0.37 0.00 0.00 175.52 176.34 3hk0 h SER 331 N 0.84 -0.02 -0.61 4.18 0.02 -0.99 -0.51 113.55 116.46 3hk0 h SER 331 Ca 0.46 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.40 3hk0 h SER 331 Cb 0.51 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 3hk0 h SER 331 CO -0.29 -0.00 0.31 -0.50 -1.14 0.00 0.00 176.83 175.21 3hk0 h TRP 332 N 0.01 0.86 -0.20 3.45 4.06 -1.07 -1.23 115.95 121.85 3hk0 h TRP 332 Ca 0.02 -0.03 -0.04 0.00 2.06 0.00 0.00 58.89 60.90 3hk0 h TRP 332 Cb 0.02 -0.27 -0.01 0.00 -1.00 0.00 0.00 29.16 27.91 3hk0 h TRP 332 CO -0.10 0.64 -0.03 0.52 -3.56 0.00 0.00 178.44 175.91 3hk0 h MET 333 N 0.83 0.37 -0.44 0.49 2.86 -1.22 0.09 114.93 117.92 3hk0 h MET 333 Ca 0.21 -0.13 0.09 0.00 -2.06 0.00 0.00 59.70 57.81 3hk0 h MET 333 Cb 0.09 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 31.64 3hk0 h MET 333 CO -0.03 0.61 -0.11 1.15 1.06 0.00 0.00 176.91 179.58 3hk0 h THR 334 N 0.10 0.56 -0.07 2.22 2.02 -1.06 0.11 112.91 116.79 3hk0 h THR 334 Ca 0.05 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.25 3hk0 h THR 334 Cb 0.46 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.41 3hk0 h THR 334 CO 0.02 0.00 -0.02 0.00 0.37 0.00 0.00 175.52 175.89 3hk0 h ALA 335 N 1.44 0.05 -0.24 6.16 0.00 -0.91 0.40 119.26 126.16 3hk0 h ALA 335 Ca 0.21 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.20 3hk0 h ALA 335 Cb 0.32 0.05 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 3hk0 h ALA 335 CO -0.46 -0.49 -0.41 0.74 0.00 0.00 0.00 179.25 178.63 3hk0 h PHE 336 N -0.00 -1.18 -0.44 0.00 -1.00 -0.62 0.65 116.94 114.36 3hk0 h PHE 336 Ca 0.03 0.05 0.06 0.00 2.81 0.00 0.00 57.97 60.93 3hk0 h PHE 336 Cb 0.05 0.55 -0.05 0.00 3.61 0.00 0.00 35.95 40.11 3hk0 h PHE 336 CO -0.13 -0.45 0.13 0.00 -1.61 0.00 0.00 178.31 176.25 3hk0 h ARG 337 N -0.42 0.28 -0.79 1.51 3.08 -0.41 0.25 114.38 117.89 3hk0 h ARG 337 Ca 0.10 -0.02 0.07 0.00 0.07 0.00 0.00 59.98 60.21 3hk0 h ARG 337 Cb 0.60 -0.06 -0.06 0.00 0.08 0.00 0.00 29.97 30.53 3hk0 h ARG 337 CO -0.46 0.19 0.46 -0.07 -1.07 0.00 0.00 179.97 179.02 3hk0 h LEU 338 N 0.29 0.70 -0.31 3.04 4.07 0.44 0.24 115.31 123.77 3hk0 h LEU 338 Ca 0.21 0.03 -0.08 0.00 0.08 0.00 0.00 57.88 58.12 3hk0 h LEU 338 Cb 0.23 -0.11 -0.01 0.00 1.08 0.00 0.00 40.66 41.85 3hk0 h LEU 338 CO -0.24 0.44 -0.11 -0.07 -1.08 0.00 0.00 178.44 177.38 3hk0 h LEU 339 N 0.83 0.63 0.34 1.67 4.07 0.12 -1.00 115.31 121.96 3hk0 h LEU 339 Ca 0.36 -0.39 -0.02 0.00 0.08 0.00 0.00 57.88 57.92 3hk0 h LEU 339 Cb 0.23 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 41.80 3hk0 h LEU 339 CO -0.20 0.88 -0.16 0.50 -1.08 0.00 0.00 178.44 178.38 3hk0 h LYS 340 N 0.39 -0.44 0.00 1.13 3.64 -0.61 -3.39 116.57 117.29 3hk0 h LYS 340 Ca 0.07 0.03 -0.33 0.00 -1.27 0.00 0.00 60.65 59.15 3hk0 h LYS 340 Cb 0.62 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.48 3hk0 h LYS 340 CO 0.04 -0.11 -2.08 0.66 -2.27 0.00 0.00 179.45 175.68 3hk0 n TYR 341 N -5.13 0.45 0.00 1.91 4.02 0.80 -5.01 117.16 114.20 3hk0 n TYR 341 Ca -0.09 0.16 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 3hk0 n TYR 341 Cb 0.27 -1.08 0.00 0.00 -0.02 0.00 0.00 39.34 38.51 3hk0 n TYR 341 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3hk0 n GLY 342 N 1.66 3.69 0.28 2.72 0.00 -0.38 -2.29 105.19 110.87 3hk0 n GLY 342 Ca -0.26 0.13 0.11 0.00 0.00 0.00 0.00 46.02 46.00 3hk0 n GLY 342 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 3hk0 h MET 343 N 0.00 0.00 -0.98 1.61 1.85 -1.84 -2.05 114.93 113.51 3hk0 h MET 343 Ca 0.00 0.00 0.09 0.00 -0.61 0.00 0.00 59.70 59.18 3hk0 h MET 343 Cb 0.00 0.00 -0.07 0.00 0.43 0.00 0.00 31.60 31.96 3hk0 h MET 343 CO 0.00 0.00 0.62 -0.07 -0.40 0.00 0.00 176.91 177.06 3hk0 h LEU 344 N 0.00 0.96 -0.96 3.39 3.38 -1.87 -1.01 115.31 119.20 3hk0 h LEU 344 Ca 0.03 0.03 -0.10 0.00 0.09 0.00 0.00 57.88 57.93 3hk0 h LEU 344 Cb 0.14 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3hk0 h LEU 344 CO -0.00 0.58 -0.29 -0.07 0.09 0.00 0.00 178.44 178.75 3hk0 h LEU 345 N 1.08 0.41 -0.43 1.67 3.38 -1.53 -1.16 115.31 118.73 3hk0 h LEU 345 Ca 0.45 -0.15 -0.13 0.00 0.09 0.00 0.00 57.88 58.14 3hk0 h LEU 345 Cb 0.29 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 3hk0 h LEU 345 CO -0.21 0.69 -0.24 0.22 0.09 0.00 0.00 178.44 178.99 3hk0 h TYR 346 N 0.36 1.06 -0.02 1.13 -0.00 -1.37 -1.03 116.97 117.10 3hk0 h TYR 346 Ca 0.05 -0.27 0.02 0.00 -0.00 0.00 0.00 58.73 58.53 3hk0 h TYR 346 Cb 0.69 -0.24 -0.02 0.00 -0.00 0.00 0.00 36.73 37.16 3hk0 h TYR 346 CO 0.02 1.08 -0.10 1.96 -0.00 0.00 0.00 178.16 181.12 3hk0 h GLN 347 N 0.74 -0.16 -0.65 1.82 4.20 -0.89 -1.76 115.11 118.42 3hk0 h GLN 347 Ca 0.09 0.01 0.09 0.00 0.06 0.00 0.00 58.65 58.90 3hk0 h GLN 347 Cb 0.81 0.04 -0.07 0.00 0.30 0.00 0.00 27.48 28.56 3hk0 h GLN 347 CO 0.07 -0.11 0.29 -0.91 -0.67 0.00 0.00 178.83 177.50 3hk0 h ASN 348 N -0.16 0.34 -0.75 1.46 -0.26 -1.12 -1.35 115.58 113.74 3hk0 h ASN 348 Ca 0.04 0.07 -0.00 0.00 -0.56 0.00 0.00 56.30 55.85 3hk0 h ASN 348 Cb 0.22 0.02 -0.04 0.00 -1.06 0.00 0.00 38.32 37.46 3hk0 h ASN 348 CO -0.11 0.20 0.45 0.22 -1.06 0.00 0.00 177.43 177.13 3hk0 h TYR 349 N 0.50 1.00 -0.37 1.19 5.03 -0.90 -1.85 116.97 121.58 3hk0 h TYR 349 Ca 0.33 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.64 3hk0 h TYR 349 Cb 0.37 -0.33 0.00 0.00 1.55 0.00 0.00 36.73 38.32 3hk0 h TYR 349 CO -0.14 0.67 0.00 0.54 -1.32 0.00 0.00 178.16 177.91 3hk0 n ARG 350 N -4.38 2.76 -0.30 1.82 1.74 -0.65 -5.10 116.66 112.55 3hk0 n ARG 350 Ca 0.08 -1.70 0.00 0.00 -0.77 0.00 0.00 57.85 55.46 3hk0 n ARG 350 Cb 0.07 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 3hk0 n ARG 350 CO 0.00 0.00 0.00 0.44 -1.52 0.00 0.00 177.63 176.55