#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk8 s ARG 114 N 0.00 2.80 -0.21 0.00 1.81 -0.52 -4.97 118.95 117.87 1pk8 s ARG 114 Ca 0.00 -0.70 -0.18 0.00 -1.72 0.00 0.00 55.73 53.13 1pk8 s ARG 114 Cb 0.00 -2.45 -0.03 0.00 -0.45 0.00 0.00 34.95 32.02 1pk8 s ARG 114 CO 0.00 0.47 0.51 0.08 -0.68 0.00 0.00 175.30 175.68 1pk8 s VAL 115 N -0.34 5.11 -0.30 3.52 1.01 -1.26 -1.24 120.40 126.90 1pk8 s VAL 115 Ca 0.03 0.92 -0.05 0.00 0.00 0.00 0.00 61.98 62.88 1pk8 s VAL 115 Cb -0.13 -3.83 0.03 0.00 0.00 0.00 0.00 36.38 32.45 1pk8 s VAL 115 CO 0.02 0.17 0.05 -0.22 0.00 0.00 0.00 175.10 175.12 1pk8 s LEU 116 N 1.71 3.88 -0.32 3.92 2.96 -0.11 0.43 118.68 131.15 1pk8 s LEU 116 Ca 0.23 -0.95 -0.18 0.00 -0.22 0.00 0.00 54.13 53.01 1pk8 s LEU 116 Cb -0.15 -1.81 -0.01 0.00 0.50 0.00 0.00 46.19 44.71 1pk8 s LEU 116 CO 0.09 -0.23 0.52 -0.22 -1.32 0.00 0.00 176.35 175.19 1pk8 s LEU 117 N 1.40 4.25 -0.36 -0.68 2.96 -0.52 -0.79 118.68 124.94 1pk8 s LEU 117 Ca -0.00 0.14 -0.06 0.00 -0.22 0.00 0.00 54.13 53.99 1pk8 s LEU 117 Cb -0.18 -2.61 0.06 0.00 0.50 0.00 0.00 46.19 43.95 1pk8 s LEU 117 CO 0.01 -0.42 0.14 -0.69 -1.32 0.00 0.00 176.35 174.06 1pk8 s VAL 118 N 2.38 3.75 -0.63 1.68 1.01 0.29 -0.36 120.40 128.52 1pk8 s VAL 118 Ca 0.20 -1.32 -0.26 0.00 0.00 0.00 0.00 61.98 60.60 1pk8 s VAL 118 Cb -0.15 -3.22 0.04 0.00 0.00 0.00 0.00 36.38 33.05 1pk8 s VAL 118 CO 0.12 -0.31 1.10 -0.63 0.00 0.00 0.00 175.10 175.38 1pk8 s ILE 119 N 1.36 4.10 -0.05 2.22 1.01 -0.06 -2.99 121.20 126.79 1pk8 s ILE 119 Ca 0.00 0.32 -0.29 0.00 0.00 0.00 0.00 60.65 60.68 1pk8 s ILE 119 Cb -0.21 -4.72 0.11 0.00 0.01 0.00 0.00 42.46 37.65 1pk8 s ILE 119 CO 0.01 -1.45 0.89 -0.62 0.00 0.00 0.00 174.94 173.78 1pk8 s ASP 120 N 3.30 -0.40 0.82 3.58 2.15 -0.87 -0.97 116.67 124.27 1pk8 s ASP 120 Ca 0.33 0.18 -0.12 0.00 0.43 0.00 0.00 52.55 53.36 1pk8 s ASP 120 Cb -0.11 0.38 0.09 0.00 -0.30 0.00 0.00 42.92 42.98 1pk8 s ASP 120 CO 0.18 -0.55 1.17 -1.83 -0.17 0.00 0.00 175.17 173.97 1pk8 s GLU 121 N -2.38 1.63 0.41 4.34 -1.05 -1.26 -4.08 118.70 116.31 1pk8 s GLU 121 Ca 0.02 1.62 0.29 0.00 -0.15 0.00 0.00 54.97 56.74 1pk8 s GLU 121 Cb -0.01 -1.79 1.29 0.00 -0.44 0.00 0.00 34.13 33.18 1pk8 s GLU 121 CO -0.04 -2.19 1.87 -1.00 0.95 0.00 0.00 175.26 174.85 1pk8 h PRO 122 N -1.09 0.00 -0.24 -4.83 0.13 -1.99 -3.27 132.00 120.71 1pk8 h PRO 122 Ca -0.45 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 64.75 1pk8 h PRO 122 Cb 1.28 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 1pk8 h PRO 122 CO 0.46 0.00 0.73 1.25 -0.23 0.00 0.00 178.00 180.21 1pk8 h HIS 123 N 0.00 0.00 -3.30 1.56 -0.00 -2.06 -3.34 115.15 108.02 1pk8 h HIS 123 Ca 0.00 0.00 -0.56 0.00 -0.00 0.00 0.00 60.37 59.81 1pk8 h HIS 123 Cb 0.34 0.00 -0.37 0.00 -0.00 0.00 0.00 27.41 27.38 1pk8 h HIS 123 CO 0.00 0.00 -0.80 0.99 -0.00 0.00 0.00 177.93 178.12 1pk8 s THR 124 N -4.20 1.16 -0.91 6.26 2.01 -1.24 -5.08 115.64 113.65 1pk8 s THR 124 Ca -0.02 -0.59 -0.23 0.00 0.31 0.00 0.00 61.69 61.16 1pk8 s THR 124 Cb 0.08 -1.28 0.07 0.00 0.01 0.00 0.00 72.50 71.37 1pk8 s THR 124 CO 0.25 0.20 1.29 -0.62 -0.69 0.00 0.00 174.62 175.05 1pk8 s ASP 125 N 1.62 6.43 0.32 3.53 2.15 -1.26 -4.87 116.67 124.60 1pk8 s ASP 125 Ca 0.02 -1.35 0.04 0.00 0.43 0.00 0.00 52.55 51.69 1pk8 s ASP 125 Cb -0.15 -2.51 0.54 0.00 -0.30 0.00 0.00 42.92 40.50 1pk8 s ASP 125 CO -0.08 -1.46 1.82 -0.50 -0.17 0.00 0.00 175.17 174.78 1pk8 h TRP 126 N 9.60 0.54 -1.00 -5.34 4.06 -1.95 -2.79 115.95 119.07 1pk8 h TRP 126 Ca 0.05 -0.07 0.21 0.00 2.06 0.00 0.00 58.89 61.14 1pk8 h TRP 126 Cb 1.03 -0.15 -0.10 0.00 -1.00 0.00 0.00 29.16 28.94 1pk8 h TRP 126 CO 1.19 0.59 0.62 0.00 -3.56 0.00 0.00 178.44 177.28 1pk8 h ALA 127 N 1.44 1.85 0.27 1.49 0.00 -1.89 -1.05 119.26 121.38 1pk8 h ALA 127 Ca 0.09 0.08 0.01 0.00 0.00 0.00 0.00 54.91 55.08 1pk8 h ALA 127 Cb 0.45 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1pk8 h ALA 127 CO 0.02 -0.24 -0.35 -0.22 0.00 0.00 0.00 179.25 178.47 1pk8 h LYS 128 N 0.63 -0.65 -0.48 0.00 3.64 -1.91 -0.93 116.57 116.87 1pk8 h LYS 128 Ca 0.58 0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.97 1pk8 h LYS 128 Cb 1.09 0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 33.04 1pk8 h LYS 128 CO -0.36 -0.43 0.17 1.88 -2.27 0.00 0.00 179.45 178.43 1pk8 h TYR 129 N -0.67 0.70 0.00 1.91 0.05 -1.34 -1.96 116.97 115.66 1pk8 h TYR 129 Ca -0.00 -0.04 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1pk8 h TYR 129 Cb 0.64 -0.22 0.00 0.00 1.01 0.00 0.00 36.73 38.16 1pk8 h TYR 129 CO -0.24 0.57 -0.02 1.19 -1.05 0.00 0.00 178.16 178.61 1pk8 n PHE 130 N -4.34 0.14 -1.53 4.88 3.72 -0.71 -4.87 117.46 114.75 1pk8 n PHE 130 Ca 0.04 0.04 -0.52 0.00 -0.05 0.00 0.00 57.45 56.96 1pk8 n PHE 130 Cb 0.17 -0.56 -0.05 0.00 -0.94 0.00 0.00 39.48 38.10 1pk8 n PHE 130 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 1pk8 n LYS 131 N -1.62 0.68 0.00 -1.08 4.81 -0.37 -1.04 118.16 119.55 1pk8 n LYS 131 Ca 0.07 0.24 0.00 0.00 -0.87 0.00 0.00 58.31 57.75 1pk8 n LYS 131 Cb 0.35 -1.67 0.00 0.00 0.02 0.00 0.00 35.03 33.73 1pk8 n LYS 131 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1pk8 n GLY 132 N 1.92 2.15 3.69 3.14 0.00 -1.26 -4.96 105.19 109.87 1pk8 n GLY 132 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1pk8 n GLY 132 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pk8 s LYS 133 N 0.00 4.24 0.01 1.61 -0.14 -0.20 -5.00 119.74 120.26 1pk8 s LYS 133 Ca 0.00 2.15 0.07 0.00 -1.36 0.00 0.00 55.97 56.83 1pk8 s LYS 133 Cb 0.00 -3.55 -0.02 0.00 -1.68 0.00 0.00 37.83 32.58 1pk8 s LYS 133 CO 0.00 -0.64 -0.22 0.15 -0.76 0.00 0.00 175.35 173.88 1pk8 s LYS 134 N 2.40 1.61 -0.14 1.68 1.02 -1.26 -3.71 119.74 121.35 1pk8 s LYS 134 Ca 0.69 -0.86 -0.26 0.00 0.02 0.00 0.00 55.97 55.56 1pk8 s LYS 134 Cb -0.36 -1.64 -0.02 0.00 -0.52 0.00 0.00 37.83 35.29 1pk8 s LYS 134 CO 0.29 0.44 0.85 0.42 -0.92 0.00 0.00 175.35 176.43 1pk8 s ILE 135 N -0.64 4.89 0.00 2.17 1.01 0.29 -3.48 121.20 125.43 1pk8 s ILE 135 Ca 0.08 1.70 0.00 0.00 0.00 0.00 0.00 60.65 62.43 1pk8 s ILE 135 Cb -0.09 -4.16 0.00 0.00 0.01 0.00 0.00 42.46 38.22 1pk8 s ILE 135 CO 0.00 0.06 0.00 1.41 0.00 0.00 0.00 174.94 176.41 1pk8 n HIS 136 N 4.93 0.00 0.00 3.97 8.25 -1.26 -2.39 115.22 128.72 1pk8 n HIS 136 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 1pk8 n HIS 136 Cb 0.49 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 31.04 1pk8 n HIS 136 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1pk8 n GLY 137 N -2.00 1.16 0.79 -1.41 0.00 -1.23 -4.91 105.19 97.59 1pk8 n GLY 137 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1pk8 n GLY 137 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1pk8 n GLU 138 N -0.04 0.10 -1.56 1.61 0.00 -1.18 -4.86 120.64 114.72 1pk8 n GLU 138 Ca 0.00 0.04 -0.47 0.00 0.00 0.00 0.00 57.16 56.74 1pk8 n GLU 138 Cb 0.00 -0.71 -0.05 0.00 0.00 0.00 0.00 31.44 30.69 1pk8 n GLU 138 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.13 176.24 1pk8 n ILE 139 N -3.17 0.33 -1.32 3.84 5.41 -1.00 -4.74 119.36 118.70 1pk8 n ILE 139 Ca -0.10 -0.33 -0.30 0.00 1.00 0.00 0.00 62.75 63.03 1pk8 n ILE 139 Cb 0.57 -2.12 0.13 0.00 -0.71 0.00 0.00 39.64 37.51 1pk8 n ILE 139 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 1pk8 s ASP 140 N 7.24 3.61 -0.16 4.38 1.01 -1.26 0.10 116.67 131.58 1pk8 s ASP 140 Ca 1.03 1.34 0.00 0.00 0.71 0.00 0.00 52.55 55.63 1pk8 s ASP 140 Cb -0.58 -2.02 0.03 0.00 1.01 0.00 0.00 42.92 41.36 1pk8 s ASP 140 CO 0.43 -2.53 -0.09 -0.63 0.21 0.00 0.00 175.17 172.55 1pk8 s ILE 141 N -3.03 1.36 -0.21 0.77 1.01 -1.24 -1.44 121.20 118.42 1pk8 s ILE 141 Ca 0.63 -0.67 -0.17 0.00 0.00 0.00 0.00 60.65 60.44 1pk8 s ILE 141 Cb -0.17 -1.41 -0.04 0.00 0.01 0.00 0.00 42.46 40.86 1pk8 s ILE 141 CO 0.56 0.27 0.44 -0.75 0.00 0.00 0.00 174.94 175.46 1pk8 s LYS 142 N 1.54 4.16 -0.28 2.79 2.47 -0.37 -4.95 119.74 125.11 1pk8 s LYS 142 Ca 0.02 0.27 -0.12 0.00 -1.56 0.00 0.00 55.97 54.57 1pk8 s LYS 142 Cb -0.14 -3.56 -0.05 0.00 -1.46 0.00 0.00 37.83 32.62 1pk8 s LYS 142 CO -0.09 -0.10 0.26 0.08 0.16 0.00 0.00 175.35 175.65 1pk8 s VAL 143 N 1.51 5.26 -0.08 4.02 1.01 -1.26 -0.94 120.40 129.92 1pk8 s VAL 143 Ca 0.21 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.50 1pk8 s VAL 143 Cb -0.15 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.61 1pk8 s VAL 143 CO 0.09 0.22 -0.07 -0.70 0.00 0.00 0.00 175.10 174.64 1pk8 s GLU 144 N 1.86 2.92 0.00 2.72 2.56 0.03 -4.86 118.70 123.94 1pk8 s GLU 144 Ca 0.10 -0.55 0.00 0.00 0.00 0.00 0.00 54.97 54.53 1pk8 s GLU 144 Cb -0.16 -2.65 -0.00 0.00 2.00 0.00 0.00 34.13 33.32 1pk8 s GLU 144 CO 0.11 0.58 -0.01 -1.14 -0.56 0.00 0.00 175.26 174.23 1pk8 s GLN 145 N -0.58 0.10 0.02 4.30 0.74 -1.26 -0.55 119.66 122.43 1pk8 s GLN 145 Ca 0.09 -0.08 -0.28 0.00 0.05 0.00 0.00 55.36 55.14 1pk8 s GLN 145 Cb -0.12 -0.07 0.10 0.00 1.10 0.00 0.00 33.01 34.02 1pk8 s GLN 145 CO 0.02 0.02 0.92 0.00 -0.55 0.00 0.00 175.29 175.70 1pk8 s ALA 146 N -0.12 -1.81 0.40 1.58 0.00 -1.16 -5.00 121.76 115.64 1pk8 s ALA 146 Ca -0.01 0.87 -0.00 0.00 0.00 0.00 0.00 51.96 52.82 1pk8 s ALA 146 Cb -0.01 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.52 1pk8 s ALA 146 CO -0.00 -0.76 0.62 -1.21 0.00 0.00 0.00 175.76 174.41 1pk8 s GLU 147 N -3.11 3.36 0.28 0.00 2.02 -1.26 -2.06 118.70 117.94 1pk8 s GLU 147 Ca 0.07 -0.31 0.02 0.00 0.02 0.00 0.00 54.97 54.76 1pk8 s GLU 147 Cb -0.01 -2.59 0.58 0.00 0.10 0.00 0.00 34.13 32.21 1pk8 s GLU 147 CO -0.07 -0.03 1.81 0.74 0.02 0.00 0.00 175.26 177.74 1pk8 h PHE 148 N 0.57 1.08 -0.13 1.61 0.04 -1.93 -1.59 116.94 116.60 1pk8 h PHE 148 Ca -0.48 0.03 0.04 0.00 2.80 0.00 0.00 57.97 60.36 1pk8 h PHE 148 Cb 1.23 -0.33 -0.01 0.00 2.20 0.00 0.00 35.95 39.04 1pk8 h PHE 148 CO 0.50 0.37 0.10 0.66 -0.60 0.00 0.00 178.31 179.35 1pk8 h SER 149 N 0.90 0.00 -0.60 2.17 4.64 -1.93 -2.47 113.55 116.25 1pk8 h SER 149 Ca 0.51 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.59 1pk8 h SER 149 Cb 0.59 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.54 1pk8 h SER 149 CO -0.30 0.00 0.20 0.47 -0.87 0.00 0.00 176.83 176.33 1pk8 n ASP 150 N -4.32 3.76 -4.28 4.97 8.00 -0.60 -4.98 116.55 119.10 1pk8 n ASP 150 Ca 0.00 -3.43 -0.19 0.00 0.71 0.00 0.00 54.79 51.87 1pk8 n ASP 150 Cb 0.23 -0.70 -0.11 0.00 -0.02 0.00 0.00 41.12 40.51 1pk8 n ASP 150 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1pk8 s LEU 151 N -3.11 2.42 0.27 0.64 1.43 -0.93 -1.17 118.68 118.23 1pk8 s LEU 151 Ca 0.50 -0.83 -0.21 0.00 -1.03 0.00 0.00 54.13 52.56 1pk8 s LEU 151 Cb 0.42 -0.66 0.04 0.00 0.03 0.00 0.00 46.19 46.02 1pk8 s LEU 151 CO 0.08 -0.10 0.79 0.21 0.23 0.00 0.00 176.35 177.56 1pk8 s ASN 152 N -2.55 -0.19 0.22 2.29 3.84 -0.71 -5.01 114.94 112.83 1pk8 s ASN 152 Ca 0.12 -0.65 -0.22 0.00 0.21 0.00 0.00 52.86 52.32 1pk8 s ASN 152 Cb -0.05 0.69 0.07 0.00 -0.55 0.00 0.00 41.25 41.41 1pk8 s ASN 152 CO 0.04 -1.30 0.96 -1.48 -2.79 0.00 0.00 177.10 172.53 1pk8 s LEU 153 N -2.97 -0.05 -0.08 3.21 0.05 -1.26 -0.30 118.68 117.28 1pk8 s LEU 153 Ca 0.12 -0.69 -0.05 0.00 0.05 0.00 0.00 54.13 53.56 1pk8 s LEU 153 Cb -0.05 2.27 0.03 0.00 -2.05 0.00 0.00 46.19 46.40 1pk8 s LEU 153 CO 0.07 -1.11 0.20 0.54 -0.55 0.00 0.00 176.35 175.50 1pk8 s VAL 154 N -2.57 -0.03 0.01 1.48 0.11 -0.65 -4.97 120.40 113.80 1pk8 s VAL 154 Ca 0.18 0.09 0.04 0.00 -2.93 0.00 0.00 61.98 59.36 1pk8 s VAL 154 Cb -0.03 -0.30 -0.01 0.00 -1.53 0.00 0.00 36.38 34.50 1pk8 s VAL 154 CO 0.06 0.04 -0.13 0.00 -3.33 0.00 0.00 175.10 171.73 1pk8 s ALA 155 N 0.76 1.11 0.03 1.54 0.00 -1.26 -1.69 121.76 122.25 1pk8 s ALA 155 Ca -0.05 -0.67 0.07 0.00 0.00 0.00 0.00 51.96 51.30 1pk8 s ALA 155 Cb -0.07 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.79 1pk8 s ALA 155 CO -0.04 0.24 -0.17 -1.01 0.00 0.00 0.00 175.76 174.78 1pk8 s HIS 156 N -0.54 2.59 0.35 0.00 3.76 0.27 -5.00 115.29 116.71 1pk8 s HIS 156 Ca 0.03 -0.24 0.36 0.00 -0.15 0.00 0.00 55.06 55.06 1pk8 s HIS 156 Cb -0.06 -1.48 1.71 0.00 1.11 0.00 0.00 32.58 33.86 1pk8 s HIS 156 CO 0.00 0.25 2.12 0.00 -0.85 0.00 0.00 174.74 176.27 1pk8 h ALA 157 N 4.58 1.06 0.00 -1.40 0.00 -1.89 -2.04 119.26 119.58 1pk8 h ALA 157 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.40 1pk8 h ALA 157 Cb 1.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1pk8 h ALA 157 CO 0.48 0.04 0.00 0.27 0.00 0.00 0.00 179.25 180.05 1pk8 n ASN 158 N -3.22 0.45 0.00 0.00 0.23 -1.26 -4.90 115.26 106.56 1pk8 n ASN 158 Ca -0.01 0.56 0.00 0.00 -0.53 0.00 0.00 54.58 54.60 1pk8 n ASN 158 Cb 0.22 -0.68 0.00 0.00 -2.08 0.00 0.00 39.78 37.25 1pk8 n ASN 158 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1pk8 n GLY 159 N 0.99 1.76 3.79 4.83 0.00 -0.77 -5.11 105.19 110.68 1pk8 n GLY 159 Ca 0.05 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.71 1pk8 n GLY 159 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pk8 s GLY 160 N -1.70 2.67 0.16 -0.02 0.00 -1.26 -4.85 107.32 102.32 1pk8 s GLY 160 Ca 0.00 0.68 -0.25 0.00 0.00 0.00 0.00 44.72 45.15 1pk8 s GLY 160 CO 0.00 1.08 0.88 -0.11 0.00 0.00 0.00 173.10 174.95 1pk8 s PHE 161 N -1.75 -0.19 -0.24 1.90 -0.71 -1.26 -0.57 117.98 115.17 1pk8 s PHE 161 Ca 0.60 -0.12 -0.14 0.00 -1.04 0.00 0.00 56.93 56.23 1pk8 s PHE 161 Cb -0.20 0.64 0.07 0.00 -1.21 0.00 0.00 43.02 42.31 1pk8 s PHE 161 CO 0.26 -0.88 0.58 0.45 -1.34 0.00 0.00 175.22 174.29 1pk8 s SER 162 N -2.87 -0.77 -0.21 1.98 0.15 -0.68 -4.86 113.70 106.44 1pk8 s SER 162 Ca 0.11 1.27 -0.07 0.00 0.70 0.00 0.00 55.95 57.96 1pk8 s SER 162 Cb -0.02 1.16 -0.04 0.00 -1.71 0.00 0.00 66.02 65.41 1pk8 s SER 162 CO 0.01 -0.22 0.06 -0.69 1.20 0.00 0.00 173.24 173.60 1pk8 s VAL 163 N 1.40 4.52 -0.20 4.45 1.01 -0.15 -1.63 120.40 129.81 1pk8 s VAL 163 Ca -0.09 -0.12 -0.07 0.00 0.00 0.00 0.00 61.98 61.71 1pk8 s VAL 163 Cb -0.06 -3.07 -0.03 0.00 0.00 0.00 0.00 36.38 33.22 1pk8 s VAL 163 CO -0.15 0.41 0.05 -1.81 0.00 0.00 0.00 175.10 173.59 1pk8 s ASP 164 N 0.90 5.32 -0.15 3.32 1.01 0.59 -0.48 116.67 127.19 1pk8 s ASP 164 Ca 0.03 -0.05 -0.02 0.00 0.71 0.00 0.00 52.55 53.22 1pk8 s ASP 164 Cb -0.14 -1.92 -0.02 0.00 1.01 0.00 0.00 42.92 41.85 1pk8 s ASP 164 CO 0.03 0.10 -0.08 -0.32 0.21 0.00 0.00 175.17 175.11 1pk8 s MET 165 N 0.78 3.51 -0.32 8.23 -2.45 0.48 -1.74 119.30 127.78 1pk8 s MET 165 Ca 0.03 -0.61 -0.26 0.00 -1.25 0.00 0.00 55.69 53.60 1pk8 s MET 165 Cb -0.14 -2.79 0.01 0.00 1.25 0.00 0.00 34.83 33.16 1pk8 s MET 165 CO 0.02 0.19 0.91 -2.00 1.05 0.00 0.00 175.02 175.19 1pk8 s GLU 166 N 0.46 3.96 -0.32 4.11 2.12 -0.31 -1.29 118.70 127.43 1pk8 s GLU 166 Ca -0.06 0.73 0.02 0.00 0.36 0.00 0.00 54.97 56.02 1pk8 s GLU 166 Cb -0.15 -3.75 0.08 0.00 0.26 0.00 0.00 34.13 30.57 1pk8 s GLU 166 CO 0.04 -0.81 0.01 0.08 -0.54 0.00 0.00 175.26 174.04 1pk8 s VAL 175 N 3.29 2.45 -0.04 3.70 1.01 -1.26 -4.95 120.40 124.59 1pk8 s VAL 175 Ca 0.38 -1.96 0.03 0.00 0.00 0.00 0.00 61.98 60.42 1pk8 s VAL 175 Cb -0.13 -2.62 -0.03 0.00 0.00 0.00 0.00 36.38 33.60 1pk8 s VAL 175 CO 0.15 -0.36 -0.10 0.00 0.00 0.00 0.00 175.10 174.79 1pk8 s ARG 176 N 1.04 2.59 -0.05 2.72 1.70 -0.41 -5.12 118.95 121.41 1pk8 s ARG 176 Ca 0.02 -0.66 -0.03 0.00 -0.47 0.00 0.00 55.73 54.59 1pk8 s ARG 176 Cb -0.20 -2.48 -0.04 0.00 -0.57 0.00 0.00 34.95 31.66 1pk8 s ARG 176 CO -0.06 0.63 0.12 -1.54 -1.08 0.00 0.00 175.30 173.38 1pk8 s SER 177 N -0.94 6.08 0.17 -2.89 1.04 -1.26 -0.39 113.70 115.51 1pk8 s SER 177 Ca 0.13 0.31 -0.01 0.00 0.48 0.00 0.00 55.95 56.87 1pk8 s SER 177 Cb -0.11 -1.87 -0.04 0.00 0.10 0.00 0.00 66.02 64.10 1pk8 s SER 177 CO 0.02 0.33 0.08 -1.48 0.98 0.00 0.00 173.24 173.17 1pk8 s LEU 178 N -1.47 1.58 -0.45 2.42 2.34 0.37 -4.96 118.68 118.51 1pk8 s LEU 178 Ca 0.21 -1.28 0.06 0.00 0.06 0.00 0.00 54.13 53.18 1pk8 s LEU 178 Cb -0.12 0.28 0.22 0.00 -0.56 0.00 0.00 46.19 46.01 1pk8 s LEU 178 CO 0.11 -0.76 0.48 1.17 -1.06 0.00 0.00 176.35 176.30 1pk8 n LYS 179 N -0.19 0.84 -1.62 1.48 4.81 -1.26 -0.98 118.16 121.25 1pk8 n LYS 179 Ca -0.03 -3.48 -0.40 0.00 -0.87 0.00 0.00 58.31 53.53 1pk8 n LYS 179 Cb 0.65 -1.58 0.02 0.00 0.02 0.00 0.00 35.03 34.14 1pk8 n LYS 179 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1pk8 n PRO 180 N 1.88 1.27 0.01 1.64 -0.02 -1.26 -4.75 135.00 133.76 1pk8 n PRO 180 Ca 0.25 0.46 0.11 0.00 -2.02 0.00 0.00 63.50 62.30 1pk8 n PRO 180 Cb 0.48 -2.11 -0.11 0.00 -0.02 0.00 0.00 33.50 31.74 1pk8 n PRO 180 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1pk8 n ASP 181 N 0.09 0.35 -3.48 2.55 8.00 0.17 -4.93 116.55 119.30 1pk8 n ASP 181 Ca 0.10 -0.12 -0.12 0.00 0.71 0.00 0.00 54.79 55.36 1pk8 n ASP 181 Cb 0.42 1.45 -0.03 0.00 -0.02 0.00 0.00 41.12 42.94 1pk8 n ASP 181 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 1pk8 s PHE 182 N -3.38 -0.48 0.00 1.24 2.19 -1.02 -4.24 117.98 112.30 1pk8 s PHE 182 Ca -0.03 0.32 0.00 0.00 0.33 0.00 0.00 56.93 57.56 1pk8 s PHE 182 Cb 0.14 0.47 -0.00 0.00 -1.31 0.00 0.00 43.02 42.32 1pk8 s PHE 182 CO 0.87 -0.79 -0.01 0.54 1.83 0.00 0.00 175.22 177.67 1pk8 s VAL 183 N -3.44 0.06 -0.26 3.12 0.11 -0.46 -1.44 120.40 118.09 1pk8 s VAL 183 Ca -0.00 -0.13 -0.00 0.00 -2.93 0.00 0.00 61.98 58.91 1pk8 s VAL 183 Cb -0.00 -0.08 0.04 0.00 -1.53 0.00 0.00 36.38 34.81 1pk8 s VAL 183 CO -0.10 -0.05 -0.07 -0.22 -3.33 0.00 0.00 175.10 171.33 1pk8 s LEU 184 N -0.19 3.36 -0.46 2.54 2.96 0.51 -1.76 118.68 125.64 1pk8 s LEU 184 Ca -0.02 -1.11 -0.17 0.00 -0.22 0.00 0.00 54.13 52.61 1pk8 s LEU 184 Cb -0.01 -1.63 0.04 0.00 0.50 0.00 0.00 46.19 45.09 1pk8 s LEU 184 CO -0.00 -0.17 0.48 -0.63 -1.32 0.00 0.00 176.35 174.71 1pk8 s ILE 185 N 1.24 5.06 -1.78 6.68 1.01 -0.75 -0.88 121.20 131.78 1pk8 s ILE 185 Ca -0.04 -0.56 0.15 0.00 0.00 0.00 0.00 60.65 60.20 1pk8 s ILE 185 Cb -0.18 -4.13 0.15 0.00 0.01 0.00 0.00 42.46 38.30 1pk8 s ILE 185 CO -0.04 -0.57 1.00 0.54 0.00 0.00 0.00 174.94 175.87 1pk8 n ARG 186 N 5.67 1.22 -4.30 2.79 5.12 -0.15 -4.21 116.66 122.80 1pk8 n ARG 186 Ca -0.08 -1.46 -0.29 0.00 -1.93 0.00 0.00 57.85 54.09 1pk8 n ARG 186 Cb 0.46 -1.29 -0.11 0.00 -1.16 0.00 0.00 32.46 30.36 1pk8 n ARG 186 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 1pk8 s GLN 187 N -1.20 1.85 0.11 5.56 0.74 -1.06 -4.48 119.66 121.17 1pk8 s GLN 187 Ca 0.19 -1.21 -0.31 0.00 0.05 0.00 0.00 55.36 54.07 1pk8 s GLN 187 Cb 0.13 -2.12 -0.09 0.00 1.10 0.00 0.00 33.01 32.03 1pk8 s GLN 187 CO 0.19 0.47 1.61 -1.01 -0.55 0.00 0.00 175.29 175.99 1pk8 s HIS 188 N -1.31 2.70 -0.28 1.67 3.76 -1.26 -4.84 115.29 115.73 1pk8 s HIS 188 Ca 0.20 0.46 0.22 0.00 -0.15 0.00 0.00 55.06 55.79 1pk8 s HIS 188 Cb -0.10 -3.94 0.43 0.00 1.11 0.00 0.00 32.58 30.08 1pk8 s HIS 188 CO 0.11 -3.64 1.63 0.00 -0.85 0.00 0.00 174.74 171.99 1pk8 h ALA 189 N 7.69 0.93 -2.84 -1.40 0.00 -1.93 -3.47 119.26 118.25 1pk8 h ALA 189 Ca -0.43 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.21 1pk8 h ALA 189 Cb 1.20 -0.02 -0.21 0.00 0.00 0.00 0.00 17.79 18.76 1pk8 h ALA 189 CO 0.92 0.17 -0.51 0.12 0.00 0.00 0.00 179.25 179.94 1pk8 s PHE 190 N -3.23 0.04 -0.19 0.00 5.36 -1.25 -0.84 117.98 117.86 1pk8 s PHE 190 Ca 0.05 -0.11 -0.28 0.00 -0.96 0.00 0.00 56.93 55.63 1pk8 s PHE 190 Cb 0.06 -0.05 0.10 0.00 -0.34 0.00 0.00 43.02 42.79 1pk8 s PHE 190 CO 0.67 -0.26 0.85 0.45 -1.46 0.00 0.00 175.22 175.48 1pk8 s SER 191 N -1.24 -0.57 -0.01 6.13 0.15 -0.71 -4.83 113.70 112.62 1pk8 s SER 191 Ca -0.13 0.89 0.08 0.00 0.70 0.00 0.00 55.95 57.48 1pk8 s SER 191 Cb -0.07 0.83 0.24 0.00 -1.71 0.00 0.00 66.02 65.31 1pk8 s SER 191 CO 0.01 -0.33 1.16 0.23 1.20 0.00 0.00 173.24 175.51 1pk8 n MET 192 N 1.70 1.70 -2.54 5.44 2.81 0.18 -3.80 117.12 122.60 1pk8 n MET 192 Ca -0.14 -0.95 -0.28 0.00 -1.81 0.00 0.00 57.70 54.52 1pk8 n MET 192 Cb 0.56 -1.27 -0.00 0.00 -0.71 0.00 0.00 33.22 31.80 1pk8 n MET 192 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1pk8 s ALA 193 N -1.65 3.36 0.24 3.04 0.00 -1.26 -4.99 121.76 120.50 1pk8 s ALA 193 Ca 0.18 -0.43 -0.31 0.00 0.00 0.00 0.00 51.96 51.40 1pk8 s ALA 193 Cb 0.10 -2.67 -0.13 0.00 0.00 0.00 0.00 23.12 20.42 1pk8 s ALA 193 CO 0.11 -0.38 1.39 0.54 0.00 0.00 0.00 175.76 177.42 1pk8 n ARG 194 N -2.28 1.98 -2.67 0.00 1.74 -1.26 -1.96 116.66 112.21 1pk8 n ARG 194 Ca 0.01 0.70 -0.21 0.00 -0.77 0.00 0.00 57.85 57.59 1pk8 n ARG 194 Cb 0.55 -2.35 0.01 0.00 -1.02 0.00 0.00 32.46 29.65 1pk8 n ARG 194 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 1pk8 n ASN 195 N 2.09 -5.88 -0.44 0.55 3.02 -1.26 -4.87 115.26 108.47 1pk8 n ASN 195 Ca 0.12 -0.14 0.05 0.00 -0.03 0.00 0.00 54.58 54.58 1pk8 n ASN 195 Cb 0.31 -4.80 0.06 0.00 -0.61 0.00 0.00 39.78 34.74 1pk8 n ASN 195 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pk8 n GLY 196 N -1.25 -0.02 3.43 7.41 0.00 -0.83 -4.92 105.19 109.01 1pk8 n GLY 196 Ca -0.18 -0.31 -0.44 0.00 0.00 0.00 0.00 46.02 45.09 1pk8 n GLY 196 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1pk8 s ASP 197 N -0.89 6.21 -0.12 1.61 2.15 -1.25 -1.74 116.67 122.64 1pk8 s ASP 197 Ca 0.13 -1.04 0.16 0.00 0.43 0.00 0.00 52.55 52.23 1pk8 s ASP 197 Cb 0.09 -2.32 0.33 0.00 -0.30 0.00 0.00 42.92 40.72 1pk8 s ASP 197 CO 0.13 -1.05 1.22 -1.22 -0.17 0.00 0.00 175.17 174.08 1pk8 n TYR 198 N 6.51 0.30 -0.08 -5.34 4.01 -0.02 -4.74 117.16 117.79 1pk8 n TYR 198 Ca -0.06 -0.88 0.11 0.00 -0.16 0.00 0.00 57.90 56.90 1pk8 n TYR 198 Cb 0.45 -0.18 0.48 0.00 -0.31 0.00 0.00 39.34 39.78 1pk8 n TYR 198 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1pk8 h ARG 199 N 0.63 0.43 -0.12 -0.72 3.08 -1.86 -1.18 114.38 114.63 1pk8 h ARG 199 Ca 0.00 -0.03 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1pk8 h ARG 199 Cb 1.06 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 31.00 1pk8 h ARG 199 CO 0.06 0.29 -0.20 0.66 -1.07 0.00 0.00 179.97 179.71 1pk8 h SER 200 N 0.45 0.19 -0.39 7.04 4.64 -1.92 -0.32 113.55 123.24 1pk8 h SER 200 Ca 0.27 -0.05 -0.15 0.00 -0.47 0.00 0.00 61.79 61.40 1pk8 h SER 200 Cb 0.47 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1pk8 h SER 200 CO -0.08 0.41 -0.33 -0.07 -0.87 0.00 0.00 176.83 175.90 1pk8 h LEU 201 N 0.18 0.96 -1.05 5.97 3.38 -1.59 0.80 115.31 123.95 1pk8 h LEU 201 Ca 0.03 -0.45 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 1pk8 h LEU 201 Cb 0.47 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 1pk8 h LEU 201 CO 0.03 1.21 -0.20 0.58 0.09 0.00 0.00 178.44 180.14 1pk8 h VAL 202 N 0.72 1.25 -0.31 1.22 2.07 -1.20 0.11 116.25 120.10 1pk8 h VAL 202 Ca 0.07 -1.14 -0.16 0.00 0.82 0.00 0.00 66.70 66.29 1pk8 h VAL 202 Cb 0.91 1.29 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1pk8 h VAL 202 CO 0.08 0.36 -0.45 0.40 0.02 0.00 0.00 177.57 177.98 1pk8 h ILE 203 N 0.39 1.28 -0.15 4.57 2.04 -0.82 -2.59 117.51 122.24 1pk8 h ILE 203 Ca 0.06 -1.64 -0.03 0.00 1.00 0.00 0.00 64.86 64.26 1pk8 h ILE 203 Cb 0.58 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 38.17 1pk8 h ILE 203 CO 0.04 0.53 -0.03 1.23 0.00 0.00 0.00 178.15 179.93 1pk8 h GLY 204 N 0.83 0.31 0.44 5.37 0.00 -0.38 0.54 103.07 110.18 1pk8 h GLY 204 Ca 0.04 -0.25 0.10 0.00 0.00 0.00 0.00 47.33 47.22 1pk8 h GLY 204 CO 0.10 0.23 0.41 1.41 0.00 0.00 0.00 176.54 178.69 1pk8 h LEU 205 N -0.01 0.55 -0.64 3.11 3.38 -0.99 0.16 115.31 120.87 1pk8 h LEU 205 Ca 0.04 0.06 -0.14 0.00 0.09 0.00 0.00 57.88 57.93 1pk8 h LEU 205 Cb 0.44 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1pk8 h LEU 205 CO 0.01 0.30 -0.50 -0.61 0.09 0.00 0.00 178.44 177.73 1pk8 h GLN 206 N 0.67 0.46 -0.51 1.13 5.75 -1.32 -2.05 115.11 119.24 1pk8 h GLN 206 Ca 0.39 -0.27 -0.02 0.00 -0.15 0.00 0.00 58.65 58.60 1pk8 h GLN 206 Cb 0.42 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 28.97 1pk8 h GLN 206 CO -0.28 0.86 0.25 -0.92 -2.65 0.00 0.00 178.83 176.08 1pk8 h TYR 207 N 0.37 0.70 -0.00 3.99 5.03 0.76 -0.28 116.97 127.53 1pk8 h TYR 207 Ca 0.02 -0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.31 1pk8 h TYR 207 Cb 1.00 -0.22 0.00 0.00 1.55 0.00 0.00 36.73 39.06 1pk8 h TYR 207 CO 0.03 0.51 -0.09 0.00 -1.32 0.00 0.00 178.16 177.30 1pk8 n ALA 208 N -2.46 2.57 -2.51 1.82 0.00 0.39 -4.85 120.51 115.46 1pk8 n ALA 208 Ca 0.04 -0.15 -0.09 0.00 0.00 0.00 0.00 53.44 53.25 1pk8 n ALA 208 Cb 0.12 -1.40 0.01 0.00 0.00 0.00 0.00 19.45 18.18 1pk8 n ALA 208 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pk8 n GLY 209 N 1.49 0.20 3.65 0.00 0.00 -0.12 -4.99 105.19 105.42 1pk8 n GLY 209 Ca 0.07 -0.44 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 1pk8 n GLY 209 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pk8 s ILE 210 N -2.74 4.94 0.50 -0.61 1.01 -0.89 -5.03 121.20 118.38 1pk8 s ILE 210 Ca 0.11 1.33 -0.23 0.00 0.00 0.00 0.00 60.65 61.85 1pk8 s ILE 210 Cb -0.05 -4.01 -0.07 0.00 0.01 0.00 0.00 42.46 38.35 1pk8 s ILE 210 CO 0.13 0.03 1.38 -2.84 0.00 0.00 0.00 174.94 173.64 1pk8 s PRO 211 N 2.37 3.43 0.24 2.79 0.02 -1.26 -4.77 135.00 137.82 1pk8 s PRO 211 Ca 0.31 2.30 -0.03 0.00 0.02 0.00 0.00 61.00 63.60 1pk8 s PRO 211 Cb -0.16 -2.46 -0.03 0.00 0.02 0.00 0.00 34.50 31.88 1pk8 s PRO 211 CO 0.09 -0.98 0.26 0.45 -0.33 0.00 0.00 177.00 176.50 1pk8 s SER 212 N -0.76 0.40 -0.19 2.53 0.15 -1.26 -1.35 113.70 113.22 1pk8 s SER 212 Ca 0.66 -1.36 -0.04 0.00 0.70 0.00 0.00 55.95 55.92 1pk8 s SER 212 Cb -0.41 0.48 0.09 0.00 -1.71 0.00 0.00 66.02 64.46 1pk8 s SER 212 CO 0.51 -0.99 0.22 -0.69 1.20 0.00 0.00 173.24 173.49 1pk8 s VAL 213 N -3.90 -0.32 1.00 4.45 1.01 -0.72 -3.51 120.40 118.40 1pk8 s VAL 213 Ca 0.35 -0.05 -0.14 0.00 0.00 0.00 0.00 61.98 62.13 1pk8 s VAL 213 Cb 0.04 -0.63 0.19 0.00 0.00 0.00 0.00 36.38 35.98 1pk8 s VAL 213 CO 0.15 -0.16 1.15 0.20 0.00 0.00 0.00 175.10 176.43 1pk8 s ASN 214 N 2.33 2.71 0.52 3.32 0.01 -1.26 -1.81 114.94 120.75 1pk8 s ASN 214 Ca 0.06 0.84 -0.20 0.00 -0.71 0.00 0.00 52.86 52.85 1pk8 s ASN 214 Cb -0.15 -1.30 -0.08 0.00 0.41 0.00 0.00 41.25 40.13 1pk8 s ASN 214 CO -0.11 -3.04 0.80 -1.54 -1.51 0.00 0.00 177.10 171.69 1pk8 n SER 215 N -4.07 0.17 0.06 -1.22 3.41 -1.23 -4.78 113.62 105.96 1pk8 n SER 215 Ca 0.09 0.86 0.01 0.00 -0.26 0.00 0.00 58.87 59.56 1pk8 n SER 215 Cb 0.59 -1.28 0.33 0.00 -0.26 0.00 0.00 64.21 63.58 1pk8 n SER 215 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1pk8 h LEU 216 N 0.73 0.36 -1.18 1.04 3.38 -1.90 -2.13 115.31 115.61 1pk8 h LEU 216 Ca -0.46 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 57.43 1pk8 h LEU 216 Cb 1.37 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 1pk8 h LEU 216 CO 0.51 0.50 0.42 -0.74 0.09 0.00 0.00 178.44 179.22 1pk8 h HIS 217 N 0.36 0.95 0.02 1.13 2.76 -1.94 -0.31 115.15 118.12 1pk8 h HIS 217 Ca 0.07 -0.00 -0.21 0.00 -2.20 0.00 0.00 60.37 58.03 1pk8 h HIS 217 Cb 0.39 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.03 1pk8 h HIS 217 CO 0.01 0.64 -0.94 0.66 -1.30 0.00 0.00 177.93 177.00 1pk8 h SER 218 N 0.99 0.31 -0.20 3.26 4.64 -1.67 -2.42 113.55 118.46 1pk8 h SER 218 Ca 0.26 -0.27 -0.02 0.00 -0.47 0.00 0.00 61.79 61.28 1pk8 h SER 218 Cb -0.02 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 61.97 1pk8 h SER 218 CO -0.05 1.09 0.03 0.58 -0.87 0.00 0.00 176.83 177.62 1pk8 h VAL 219 N 0.12 1.23 -0.39 0.95 2.07 -0.88 -1.01 116.25 118.33 1pk8 h VAL 219 Ca -0.06 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.72 1pk8 h VAL 219 Cb 1.59 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 32.68 1pk8 h VAL 219 CO 0.15 0.23 0.25 0.22 0.02 0.00 0.00 177.57 178.44 1pk8 h TYR 220 N 0.12 0.48 0.00 1.57 5.03 -1.10 -2.02 116.97 121.06 1pk8 h TYR 220 Ca 0.06 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.38 1pk8 h TYR 220 Cb 0.32 -0.16 0.00 0.00 1.55 0.00 0.00 36.73 38.44 1pk8 h TYR 220 CO 0.02 0.30 0.00 0.09 -1.32 0.00 0.00 178.16 177.25 1pk8 n ASN 221 N -4.83 0.30 -0.50 -2.11 3.02 -0.91 -2.20 115.26 108.03 1pk8 n ASN 221 Ca 0.00 0.56 0.13 0.00 -0.03 0.00 0.00 54.58 55.24 1pk8 n ASN 221 Cb 0.03 -0.63 0.48 0.00 -0.61 0.00 0.00 39.78 39.05 1pk8 n ASN 221 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1pk8 n PHE 222 N -1.81 0.07 1.18 3.10 3.01 -0.39 -4.28 117.46 118.33 1pk8 n PHE 222 Ca 0.04 -0.03 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1pk8 n PHE 222 Cb 0.24 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.71 1pk8 n PHE 222 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1pk8 s ASP 224 N -0.19 0.58 0.26 0.00 1.01 -1.26 -4.95 116.67 112.12 1pk8 s ASP 224 Ca 0.00 -0.46 -0.03 0.00 0.71 0.00 0.00 52.55 52.77 1pk8 s ASP 224 Cb 0.00 1.01 0.56 0.00 1.01 0.00 0.00 42.92 45.50 1pk8 s ASP 224 CO 0.00 -0.36 1.64 0.11 0.21 0.00 0.00 175.17 176.78 1pk8 h LYS 225 N 8.15 0.16 0.00 8.23 1.57 -1.88 0.15 116.57 132.96 1pk8 h LYS 225 Ca -0.09 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1pk8 h LYS 225 Cb 1.11 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 33.38 1pk8 h LYS 225 CO 0.27 0.11 -0.09 -1.35 -0.57 0.00 0.00 179.45 177.81 1pk8 h PRO 226 N 0.16 0.00 -0.08 3.15 0.11 -1.97 0.26 132.00 133.63 1pk8 h PRO 226 Ca 0.47 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.40 1pk8 h PRO 226 Cb 0.89 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.99 1pk8 h PRO 226 CO -0.65 0.09 -0.74 2.35 -0.21 0.00 0.00 178.00 178.84 1pk8 h TRP 227 N 0.00 0.57 -0.02 0.65 2.91 -1.06 -1.17 115.95 117.84 1pk8 h TRP 227 Ca -0.00 -0.26 -0.09 0.00 1.13 0.00 0.00 58.89 59.68 1pk8 h TRP 227 Cb 0.26 -0.09 0.01 0.00 -0.51 0.00 0.00 29.16 28.83 1pk8 h TRP 227 CO 0.00 1.02 -0.33 0.28 -1.03 0.00 0.00 178.44 178.38 1pk8 h VAL 228 N 0.29 1.49 -0.86 2.65 2.07 -0.91 -3.20 116.25 117.78 1pk8 h VAL 228 Ca -0.03 -1.91 0.15 0.00 0.82 0.00 0.00 66.70 65.73 1pk8 h VAL 228 Cb 1.32 2.63 -0.07 0.00 -1.52 0.00 0.00 31.29 33.65 1pk8 h VAL 228 CO 0.13 0.53 0.56 0.15 0.02 0.00 0.00 177.57 178.96 1pk8 h PHE 229 N -0.35 0.73 -0.73 1.57 3.57 -0.50 0.18 116.94 121.41 1pk8 h PHE 229 Ca -0.04 0.02 0.06 0.00 3.53 0.00 0.00 57.97 61.55 1pk8 h PHE 229 Cb 1.04 -0.23 -0.05 0.00 2.79 0.00 0.00 35.95 39.51 1pk8 h PHE 229 CO 0.16 0.27 0.48 0.00 -2.23 0.00 0.00 178.31 176.99 1pk8 h ALA 230 N 1.61 1.69 -0.42 2.41 0.00 -1.20 0.11 119.26 123.46 1pk8 h ALA 230 Ca 0.43 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.29 1pk8 h ALA 230 Cb 0.77 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.35 1pk8 h ALA 230 CO -0.18 0.19 0.16 1.96 0.00 0.00 0.00 179.25 181.38 1pk8 h GLN 231 N 0.77 0.63 -0.14 0.00 1.08 -0.69 -2.28 115.11 114.48 1pk8 h GLN 231 Ca 0.31 -0.12 -0.06 0.00 -1.45 0.00 0.00 58.65 57.34 1pk8 h GLN 231 Cb 0.25 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 27.57 1pk8 h GLN 231 CO -0.10 0.59 -0.17 0.52 -0.95 0.00 0.00 178.83 178.72 1pk8 h MET 232 N 0.53 0.22 -0.41 1.46 2.86 -1.00 -1.72 114.93 116.89 1pk8 h MET 232 Ca 0.14 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 1pk8 h MET 232 Cb 0.20 -0.03 -0.02 0.00 0.06 0.00 0.00 31.60 31.82 1pk8 h MET 232 CO -0.01 0.40 0.04 0.28 1.06 0.00 0.00 176.91 178.68 1pk8 h VAL 233 N 0.21 1.21 -0.29 -2.22 2.07 -0.50 0.33 116.25 117.06 1pk8 h VAL 233 Ca 0.04 -0.79 -0.18 0.00 0.82 0.00 0.00 66.70 66.59 1pk8 h VAL 233 Cb 0.43 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1pk8 h VAL 233 CO 0.03 0.28 -0.53 -0.09 0.02 0.00 0.00 177.57 177.28 1pk8 h ARG 234 N 0.60 0.84 -0.57 1.57 2.43 -0.89 -2.08 114.38 116.29 1pk8 h ARG 234 Ca 0.13 -0.52 -0.09 0.00 -0.81 0.00 0.00 59.98 58.69 1pk8 h ARG 234 Cb 0.32 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.90 1pk8 h ARG 234 CO 0.01 1.15 -0.02 -0.07 -1.51 0.00 0.00 179.97 179.53 1pk8 h LEU 235 N 0.65 0.97 -0.57 3.80 3.38 -0.60 -1.57 115.31 121.37 1pk8 h LEU 235 Ca 0.02 -0.28 -0.09 0.00 0.09 0.00 0.00 57.88 57.62 1pk8 h LEU 235 Cb 1.12 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.59 1pk8 h LEU 235 CO 0.12 1.04 0.01 -0.74 0.09 0.00 0.00 178.44 178.96 1pk8 h HIS 236 N 0.91 1.08 -0.42 1.13 2.76 -0.27 0.37 115.15 120.71 1pk8 h HIS 236 Ca 0.16 -0.18 -0.06 0.00 -2.20 0.00 0.00 60.37 58.09 1pk8 h HIS 236 Cb 0.56 -0.28 -0.02 0.00 1.55 0.00 0.00 27.41 29.22 1pk8 h HIS 236 CO 0.04 0.97 0.04 0.87 -1.30 0.00 0.00 177.93 178.54 1pk8 h LYS 237 N 0.88 0.72 -0.43 5.26 1.57 -1.24 0.44 116.57 123.77 1pk8 h LYS 237 Ca 0.16 -0.21 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 1pk8 h LYS 237 Cb 0.53 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1pk8 h LYS 237 CO 0.03 0.78 -0.23 -0.22 -0.57 0.00 0.00 179.45 179.24 1pk8 h LYS 238 N 0.57 0.91 0.11 3.15 3.64 -1.08 -3.34 116.57 120.52 1pk8 h LYS 238 Ca 0.12 -0.41 -0.34 0.00 -1.27 0.00 0.00 60.65 58.76 1pk8 h LYS 238 Cb 0.43 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1pk8 h LYS 238 CO 0.01 1.06 -1.81 -0.07 -2.27 0.00 0.00 179.45 176.38 1pk8 h LEU 239 N 0.74 0.37 0.00 5.20 3.38 -0.20 -3.51 115.31 121.28 1pk8 h LEU 239 Ca 0.09 -0.69 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1pk8 h LEU 239 Cb 0.80 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1pk8 h LEU 239 CO 0.07 1.61 0.00 0.61 0.09 0.00 0.00 178.44 180.81 1pk8 n GLY 240 N 1.83 2.21 0.34 0.83 0.00 0.15 -4.51 105.19 106.04 1pk8 n GLY 240 Ca -0.25 -1.79 0.05 0.00 0.00 0.00 0.00 46.02 44.03 1pk8 n GLY 240 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1pk8 h THR 241 N 0.00 0.94 -0.43 2.61 2.02 -1.76 0.31 112.91 116.61 1pk8 h THR 241 Ca 0.00 -0.32 -0.01 0.00 0.77 0.00 0.00 66.41 66.85 1pk8 h THR 241 Cb 0.00 -0.07 -0.02 0.00 -1.74 0.00 0.00 68.15 66.32 1pk8 h THR 241 CO 0.00 0.17 0.24 -0.33 0.37 0.00 0.00 175.52 175.97 1pk8 h GLU 242 N 0.93 0.59 0.17 6.66 4.39 -1.97 -1.92 114.58 123.43 1pk8 h GLU 242 Ca 0.44 -0.07 -0.30 0.00 0.34 0.00 0.00 59.36 59.78 1pk8 h GLU 242 Cb 0.38 -0.12 0.02 0.00 -0.10 0.00 0.00 28.75 28.94 1pk8 h GLU 242 CO -0.24 0.47 -1.31 0.93 -1.16 0.00 0.00 179.01 177.69 1pk8 h GLU 243 N 0.56 0.46 -2.56 2.33 4.39 -1.70 -3.41 114.58 114.65 1pk8 h GLU 243 Ca 0.15 -0.72 -0.60 0.00 0.34 0.00 0.00 59.36 58.53 1pk8 h GLU 243 Cb 0.04 0.26 -0.39 0.00 -0.10 0.00 0.00 28.75 28.56 1pk8 h GLU 243 CO -0.02 1.33 -0.87 0.12 -1.16 0.00 0.00 179.01 178.40 1pk8 s PHE 244 N -2.75 1.57 -0.98 4.33 5.36 0.11 -4.79 117.98 120.82 1pk8 s PHE 244 Ca -0.07 -2.45 -0.18 0.00 -0.96 0.00 0.00 56.93 53.27 1pk8 s PHE 244 Cb 0.06 -1.31 -0.10 0.00 -0.34 0.00 0.00 43.02 41.33 1pk8 s PHE 244 CO 0.92 -0.77 2.05 -0.35 -1.46 0.00 0.00 175.22 175.61 1pk8 n PRO 245 N 2.85 1.96 -2.09 10.12 -0.04 -0.73 -4.24 135.00 142.83 1pk8 n PRO 245 Ca 0.25 -2.00 -0.42 0.00 -0.04 0.00 0.00 63.50 61.29 1pk8 n PRO 245 Cb 0.44 -2.96 -0.03 0.00 -0.04 0.00 0.00 33.50 30.91 1pk8 n PRO 245 CO 0.00 0.00 0.00 -1.17 -0.04 0.00 0.00 175.50 174.29 1pk8 s LEU 246 N 1.27 4.37 0.74 1.53 2.96 -1.26 -0.77 118.68 127.52 1pk8 s LEU 246 Ca 0.53 2.42 -0.15 0.00 -0.22 0.00 0.00 54.13 56.71 1pk8 s LEU 246 Cb 0.14 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 43.26 1pk8 s LEU 246 CO 0.05 -0.71 1.01 0.00 -1.32 0.00 0.00 176.35 175.38 1pk8 n ILE 247 N 3.97 2.67 -2.51 6.68 3.06 -0.13 -4.78 119.36 128.32 1pk8 n ILE 247 Ca 0.12 -0.34 -0.42 0.00 -2.50 0.00 0.00 62.75 59.62 1pk8 n ILE 247 Cb 0.41 -1.12 -0.03 0.00 0.54 0.00 0.00 39.64 39.43 1pk8 n ILE 247 CO 0.00 0.00 0.00 -1.81 -2.50 0.00 0.00 176.55 172.24 1pk8 s ASP 248 N -1.73 7.18 -0.00 9.51 1.11 -1.26 -4.99 116.67 126.49 1pk8 s ASP 248 Ca 0.73 1.93 -0.09 0.00 0.18 0.00 0.00 52.55 55.31 1pk8 s ASP 248 Cb -0.33 -2.58 0.01 0.00 1.07 0.00 0.00 42.92 41.09 1pk8 s ASP 248 CO 0.50 -0.37 0.18 -1.58 1.18 0.00 0.00 175.17 175.08 1pk8 s GLN 249 N 0.82 0.52 -0.06 8.23 0.74 -1.26 -3.78 119.66 124.86 1pk8 s GLN 249 Ca 0.55 -0.32 0.06 0.00 0.05 0.00 0.00 55.36 55.70 1pk8 s GLN 249 Cb -0.27 0.22 -0.01 0.00 1.10 0.00 0.00 33.01 34.05 1pk8 s GLN 249 CO 0.30 -0.13 -0.24 0.99 -0.55 0.00 0.00 175.29 175.66 1pk8 s THR 250 N -1.32 1.99 -0.20 -0.34 2.01 0.64 -4.98 115.64 113.43 1pk8 s THR 250 Ca -0.14 -1.02 -0.07 0.00 0.31 0.00 0.00 61.69 60.77 1pk8 s THR 250 Cb -0.07 -1.69 -0.04 0.00 0.01 0.00 0.00 72.50 70.72 1pk8 s THR 250 CO 0.02 0.55 0.06 0.12 -0.69 0.00 0.00 174.62 174.68 1pk8 s PHE 251 N -0.05 3.18 -0.24 4.92 5.36 -1.26 -1.68 117.98 128.20 1pk8 s PHE 251 Ca -0.06 -0.10 -0.02 0.00 -0.96 0.00 0.00 56.93 55.78 1pk8 s PHE 251 Cb -0.14 -2.13 0.02 0.00 -0.34 0.00 0.00 43.02 40.42 1pk8 s PHE 251 CO 0.04 -0.03 -0.06 0.71 -1.46 0.00 0.00 175.22 174.43 1pk8 s TYR 252 N 0.80 3.02 0.47 10.12 2.02 0.91 -4.98 117.35 129.70 1pk8 s TYR 252 Ca 0.03 -1.36 0.14 0.00 -0.37 0.00 0.00 57.07 55.51 1pk8 s TYR 252 Cb -0.14 -2.07 1.11 0.00 -0.40 0.00 0.00 41.96 40.46 1pk8 s TYR 252 CO 0.02 -0.68 2.07 -1.35 -1.57 0.00 0.00 175.55 174.04 1pk8 h PRO 253 N 8.05 0.25 -3.09 -1.71 0.11 -1.93 -0.68 132.00 133.00 1pk8 h PRO 253 Ca -0.36 -0.02 0.01 0.00 0.11 0.00 0.00 66.00 65.74 1pk8 h PRO 253 Cb 1.13 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 1pk8 h PRO 253 CO 0.59 0.17 0.21 0.54 -0.21 0.00 0.00 178.00 179.30 1pk8 s ASN 254 N -6.66 -0.09 0.59 -2.05 2.20 -1.26 -3.19 114.94 104.48 1pk8 s ASN 254 Ca -0.07 -0.90 0.31 0.00 -0.94 0.00 0.00 52.86 51.27 1pk8 s ASN 254 Cb 0.18 0.77 1.83 0.00 -2.00 0.00 0.00 41.25 42.03 1pk8 s ASN 254 CO 0.71 -1.48 2.24 1.12 -2.94 0.00 0.00 177.10 176.75 1pk8 h HIS 255 N 2.02 0.00 0.00 1.54 2.07 -1.86 -3.16 115.15 115.76 1pk8 h HIS 255 Ca -0.26 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.26 1pk8 h HIS 255 Cb 1.25 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.23 1pk8 h HIS 255 CO 0.88 0.02 0.00 1.63 -3.07 0.00 0.00 177.93 177.39 1pk8 n LYS 256 N -3.72 0.03 0.00 5.12 5.02 -1.26 -1.81 118.16 121.54 1pk8 n LYS 256 Ca -0.03 0.32 0.06 0.00 -2.02 0.00 0.00 58.31 56.65 1pk8 n LYS 256 Cb 0.11 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 33.59 1pk8 n LYS 256 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1pk8 n GLU 257 N -1.43 2.29 -2.54 1.97 -0.58 -1.19 -4.81 120.64 114.33 1pk8 n GLU 257 Ca 0.02 -0.45 -0.41 0.00 -0.42 0.00 0.00 57.16 55.90 1pk8 n GLU 257 Cb 0.08 -1.13 -0.02 0.00 -0.57 0.00 0.00 31.44 29.80 1pk8 n GLU 257 CO 0.00 0.00 0.00 -1.64 -0.48 0.00 0.00 177.13 175.01 1pk8 s MET 258 N -1.78 3.69 -0.19 3.49 -1.94 -0.75 -4.74 119.30 117.07 1pk8 s MET 258 Ca 0.08 -1.42 -0.15 0.00 -1.71 0.00 0.00 55.69 52.49 1pk8 s MET 258 Cb 0.10 -5.42 -0.09 0.00 2.01 0.00 0.00 34.83 31.43 1pk8 s MET 258 CO 0.38 -2.29 -0.15 1.28 -0.01 0.00 0.00 175.02 174.23 1pk8 n LEU 259 N 8.94 1.88 0.00 -0.03 4.77 -1.26 -4.95 117.00 126.35 1pk8 n LEU 259 Ca 0.39 0.46 -0.05 0.00 -0.03 0.00 0.00 56.01 56.79 1pk8 n LEU 259 Cb 0.49 -0.86 0.01 0.00 -2.33 0.00 0.00 43.42 40.74 1pk8 n LEU 259 CO 0.70 -0.06 0.27 -1.54 -1.33 0.00 0.00 177.39 175.43 1pk8 n SER 260 N -4.47 -1.21 -4.05 -1.43 3.41 -1.26 -4.83 113.62 99.78 1pk8 n SER 260 Ca -0.23 -1.87 -0.19 0.00 -0.26 0.00 0.00 58.87 56.33 1pk8 n SER 260 Cb 0.53 2.02 -0.14 0.00 -0.26 0.00 0.00 64.21 66.36 1pk8 n SER 260 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 1pk8 s SER 261 N -2.11 1.17 0.29 4.04 0.15 -1.26 -5.03 113.70 110.94 1pk8 s SER 261 Ca 0.09 -0.23 -0.02 0.00 0.70 0.00 0.00 55.95 56.49 1pk8 s SER 261 Cb -0.03 -0.11 0.43 0.00 -1.71 0.00 0.00 66.02 64.60 1pk8 s SER 261 CO 0.07 0.09 1.90 0.71 1.20 0.00 0.00 173.24 177.20 1pk8 h THR 262 N 4.83 1.21 -3.84 6.45 1.35 -2.02 -3.44 112.91 117.45 1pk8 h THR 262 Ca -0.32 -0.58 -0.22 0.00 -0.55 0.00 0.00 66.41 64.74 1pk8 h THR 262 Cb 1.18 0.32 -0.15 0.00 -1.73 0.00 0.00 68.15 67.77 1pk8 h THR 262 CO 0.48 0.25 -0.70 0.42 -0.25 0.00 0.00 175.52 175.73 1pk8 s THR 263 N -5.59 0.66 0.03 6.82 -4.23 -1.26 -5.17 115.64 106.92 1pk8 s THR 263 Ca -0.11 -1.92 0.01 0.00 -1.18 0.00 0.00 61.69 58.49 1pk8 s THR 263 Cb 0.17 -1.67 -0.02 0.00 1.34 0.00 0.00 72.50 72.31 1pk8 s THR 263 CO 0.80 -0.88 -0.06 -0.31 -0.54 0.00 0.00 174.62 173.63 1pk8 s TYR 264 N -3.63 0.51 0.81 3.99 2.02 -1.26 -4.53 117.35 115.25 1pk8 s TYR 264 Ca 0.11 -0.54 -0.12 0.00 -0.37 0.00 0.00 57.07 56.16 1pk8 s TYR 264 Cb 0.05 -0.32 0.08 0.00 -0.40 0.00 0.00 41.96 41.37 1pk8 s TYR 264 CO -0.05 -0.14 1.10 -2.14 -1.57 0.00 0.00 175.55 172.75 1pk8 s PRO 265 N -1.66 2.00 0.19 -1.71 0.02 -1.26 -5.00 135.00 127.57 1pk8 s PRO 265 Ca -0.11 0.62 0.03 0.00 0.02 0.00 0.00 61.00 61.56 1pk8 s PRO 265 Cb -0.09 -1.91 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 1pk8 s PRO 265 CO -0.01 -1.68 -0.03 0.54 -0.33 0.00 0.00 177.00 175.50 1pk8 s VAL 266 N -3.16 0.94 -0.17 3.83 0.11 -0.35 -1.12 120.40 120.49 1pk8 s VAL 266 Ca 0.61 -2.02 0.00 0.00 -2.93 0.00 0.00 61.98 57.64 1pk8 s VAL 266 Cb -0.14 -2.13 0.01 0.00 -1.53 0.00 0.00 36.38 32.58 1pk8 s VAL 266 CO 0.54 -0.49 -0.17 -0.69 -3.33 0.00 0.00 175.10 170.97 1pk8 s VAL 267 N -3.48 2.44 -0.22 2.04 1.01 0.13 -0.73 120.40 121.58 1pk8 s VAL 267 Ca 0.24 -0.83 -0.10 0.00 0.00 0.00 0.00 61.98 61.29 1pk8 s VAL 267 Cb 0.05 -2.04 -0.05 0.00 0.00 0.00 0.00 36.38 34.35 1pk8 s VAL 267 CO 0.05 0.52 0.13 -0.69 0.00 0.00 0.00 175.10 175.11 1pk8 s VAL 268 N 1.09 5.26 -0.25 2.92 1.01 0.25 -1.83 120.40 128.84 1pk8 s VAL 268 Ca -0.00 0.14 0.02 0.00 0.00 0.00 0.00 61.98 62.14 1pk8 s VAL 268 Cb -0.14 -3.43 0.05 0.00 0.00 0.00 0.00 36.38 32.86 1pk8 s VAL 268 CO -0.06 0.39 -0.11 -0.54 0.00 0.00 0.00 175.10 174.78 1pk8 s LYS 269 N 0.79 2.42 -0.12 2.72 1.02 -0.09 -1.33 119.74 125.16 1pk8 s LYS 269 Ca 0.07 -1.23 -0.18 0.00 0.02 0.00 0.00 55.97 54.65 1pk8 s LYS 269 Cb -0.13 -2.87 -0.04 0.00 -0.52 0.00 0.00 37.83 34.27 1pk8 s LYS 269 CO 0.02 -0.50 0.49 -1.64 -0.92 0.00 0.00 175.35 172.80 1pk8 s MET 270 N 1.16 4.35 2.78 1.68 -1.94 0.13 -0.65 119.30 126.81 1pk8 s MET 270 Ca -0.06 0.48 0.00 0.00 -1.71 0.00 0.00 55.69 54.40 1pk8 s MET 270 Cb -0.19 -3.44 0.00 0.00 2.01 0.00 0.00 34.83 33.22 1pk8 s MET 270 CO -0.06 0.15 0.00 0.41 -0.01 0.00 0.00 175.02 175.51 1pk8 n GLY 271 N 3.26 1.58 3.06 -0.03 0.00 0.44 -4.46 105.19 109.03 1pk8 n GLY 271 Ca -0.07 -0.46 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 1pk8 n GLY 271 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1pk8 s HIS 272 N 0.00 3.22 0.28 1.61 2.46 -1.26 -4.81 115.29 116.79 1pk8 s HIS 272 Ca 0.00 -2.31 -0.12 0.00 0.47 0.00 0.00 55.06 53.10 1pk8 s HIS 272 Cb 0.00 -1.93 0.01 0.00 -0.13 0.00 0.00 32.58 30.52 1pk8 s HIS 272 CO 0.00 -0.87 0.54 0.00 -2.47 0.00 0.00 174.74 171.93 1pk8 s ALA 273 N 1.12 -0.21 0.40 1.58 0.00 -1.26 -0.65 121.76 122.74 1pk8 s ALA 273 Ca -0.08 -0.93 0.04 0.00 0.00 0.00 0.00 51.96 50.99 1pk8 s ALA 273 Cb -0.20 1.02 -0.03 0.00 0.00 0.00 0.00 23.12 23.91 1pk8 s ALA 273 CO -0.05 -0.88 0.13 -1.01 0.00 0.00 0.00 175.76 173.95 1pk8 s HIS 274 N -3.63 1.79 -1.66 0.00 0.09 -1.26 -4.82 115.29 105.80 1pk8 s HIS 274 Ca 0.22 -1.26 0.00 0.00 -0.00 0.00 0.00 55.06 54.02 1pk8 s HIS 274 Cb -0.02 -1.15 0.00 0.00 -0.00 0.00 0.00 32.58 31.41 1pk8 s HIS 274 CO 0.11 -0.28 0.00 0.43 -0.00 0.00 0.00 174.74 175.00 1pk8 n SER 275 N -1.24 -4.78 0.00 1.40 7.64 -1.26 -1.53 113.62 113.85 1pk8 n SER 275 Ca -0.05 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.09 1pk8 n SER 275 Cb 0.65 -4.16 0.00 0.00 -1.01 0.00 0.00 64.21 59.69 1pk8 n SER 275 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pk8 n GLY 276 N -0.61 0.09 3.75 0.23 0.00 -1.26 -5.06 105.19 102.33 1pk8 n GLY 276 Ca -0.19 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1pk8 n GLY 276 CO 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 173.32 173.03 1pk8 s MET 277 N -0.98 4.16 -0.20 1.61 -2.45 -0.58 -2.63 119.30 118.22 1pk8 s MET 277 Ca 0.00 2.51 0.00 0.00 -1.25 0.00 0.00 55.69 56.95 1pk8 s MET 277 Cb 0.00 -3.05 0.00 0.00 1.25 0.00 0.00 34.83 33.03 1pk8 s MET 277 CO 0.00 -0.60 0.00 0.41 1.05 0.00 0.00 175.02 175.88 1pk8 n GLY 278 N 2.38 0.54 3.15 2.11 0.00 -1.26 -4.49 105.19 107.61 1pk8 n GLY 278 Ca 0.09 -0.45 -0.33 0.00 0.00 0.00 0.00 46.02 45.33 1pk8 n GLY 278 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pk8 s LYS 279 N -1.33 3.04 0.06 1.61 1.02 -1.08 -0.69 119.74 122.37 1pk8 s LYS 279 Ca 0.00 -0.80 0.04 0.00 0.02 0.00 0.00 55.97 55.23 1pk8 s LYS 279 Cb 0.00 -2.62 -0.03 0.00 -0.52 0.00 0.00 37.83 34.66 1pk8 s LYS 279 CO 0.00 -0.20 -0.13 0.54 -0.92 0.00 0.00 175.35 174.64 1pk8 s VAL 280 N 1.30 0.99 -0.19 3.17 0.11 -0.44 -4.98 120.40 120.35 1pk8 s VAL 280 Ca 0.05 -1.21 -0.16 0.00 -2.93 0.00 0.00 61.98 57.73 1pk8 s VAL 280 Cb -0.13 -0.96 -0.04 0.00 -1.53 0.00 0.00 36.38 33.72 1pk8 s VAL 280 CO -0.11 -0.23 0.38 -0.75 -3.33 0.00 0.00 175.10 171.06 1pk8 s LYS 281 N -1.62 4.19 -0.17 1.54 2.20 -1.26 -0.59 119.74 124.03 1pk8 s LYS 281 Ca -0.03 0.18 -0.03 0.00 -0.36 0.00 0.00 55.97 55.73 1pk8 s LYS 281 Cb -0.10 -3.52 -0.02 0.00 -1.51 0.00 0.00 37.83 32.69 1pk8 s LYS 281 CO 0.02 0.01 -0.06 0.08 -0.36 0.00 0.00 175.35 175.03 1pk8 s VAL 282 N 1.17 3.52 -0.83 4.02 1.01 0.09 -4.98 120.40 124.41 1pk8 s VAL 282 Ca 0.19 -0.47 0.22 0.00 0.00 0.00 0.00 61.98 61.92 1pk8 s VAL 282 Cb -0.14 -2.55 -0.16 0.00 0.00 0.00 0.00 36.38 33.53 1pk8 s VAL 282 CO 0.07 0.47 1.01 0.47 0.00 0.00 0.00 175.10 177.13 1pk8 n ASP 283 N 3.97 0.72 -3.61 3.32 8.00 -1.26 -1.21 116.55 126.48 1pk8 n ASP 283 Ca -0.18 -0.56 -0.04 0.00 0.71 0.00 0.00 54.79 54.72 1pk8 n ASP 283 Cb 0.52 0.86 -0.00 0.00 -0.02 0.00 0.00 41.12 42.47 1pk8 n ASP 283 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1pk8 s ASN 284 N -3.36 -0.13 0.17 -2.24 2.20 -1.26 -4.62 114.94 105.71 1pk8 s ASN 284 Ca 0.06 -0.56 -0.15 0.00 -0.94 0.00 0.00 52.86 51.28 1pk8 s ASN 284 Cb 0.16 0.56 0.14 0.00 -2.00 0.00 0.00 41.25 40.10 1pk8 s ASN 284 CO 0.82 -1.05 1.70 -0.61 -2.94 0.00 0.00 177.10 175.01 1pk8 h GLN 285 N 2.00 0.13 -0.18 3.55 5.75 -1.96 0.24 115.11 124.63 1pk8 h GLN 285 Ca -0.25 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.24 1pk8 h GLN 285 Cb 1.23 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 29.74 1pk8 h GLN 285 CO 0.29 0.08 0.11 0.45 -2.65 0.00 0.00 178.83 177.11 1pk8 h HIS 286 N 0.13 0.24 -0.84 3.99 3.86 -1.98 0.14 115.15 120.68 1pk8 h HIS 286 Ca 0.22 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.40 1pk8 h HIS 286 Cb 0.31 -0.08 -0.04 0.00 1.06 0.00 0.00 27.41 28.66 1pk8 h HIS 286 CO -0.27 0.19 0.42 -0.44 0.86 0.00 0.00 177.93 178.68 1pk8 h ASP 287 N 0.22 1.10 -0.83 2.45 3.32 -1.89 -1.52 116.42 119.27 1pk8 h ASP 287 Ca 0.07 -0.13 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1pk8 h ASP 287 Cb 0.01 -0.28 -0.04 0.00 0.22 0.00 0.00 39.33 39.24 1pk8 h ASP 287 CO -0.01 0.91 0.48 0.15 -1.72 0.00 0.00 179.24 179.05 1pk8 h PHE 288 N 1.20 1.12 -0.13 4.55 3.57 0.06 -0.11 116.94 127.20 1pk8 h PHE 288 Ca 0.29 -0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.67 1pk8 h PHE 288 Cb 0.10 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.47 1pk8 h PHE 288 CO 0.01 0.76 -0.42 1.96 -2.23 0.00 0.00 178.31 178.40 1pk8 h GLN 289 N 1.16 0.30 -0.06 1.11 4.20 -0.10 -0.68 115.11 121.04 1pk8 h GLN 289 Ca 0.30 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.84 1pk8 h GLN 289 Cb -0.01 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.77 1pk8 h GLN 289 CO -0.05 0.67 -0.07 -0.44 -0.67 0.00 0.00 178.83 178.27 1pk8 h ASP 290 N 0.25 0.16 -0.44 1.46 3.32 -0.59 -2.62 116.42 117.95 1pk8 h ASP 290 Ca 0.02 -0.50 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1pk8 h ASP 290 Cb 0.85 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.33 1pk8 h ASP 290 CO 0.07 0.63 0.29 0.40 -1.72 0.00 0.00 179.24 178.91 1pk8 h ILE 291 N -0.31 1.11 -0.27 0.35 1.08 -0.95 -0.48 117.51 118.05 1pk8 h ILE 291 Ca 0.01 -0.21 -0.06 0.00 -0.39 0.00 0.00 64.86 64.21 1pk8 h ILE 291 Cb 0.59 0.47 -0.02 0.00 -3.07 0.00 0.00 36.82 34.79 1pk8 h ILE 291 CO 0.02 0.11 -0.11 0.00 -0.69 0.00 0.00 178.15 177.48 1pk8 h ALA 292 N 1.72 1.33 0.00 1.87 0.00 -1.02 -1.38 119.26 121.78 1pk8 h ALA 292 Ca 0.16 -0.24 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 1pk8 h ALA 292 Cb -0.07 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1pk8 h ALA 292 CO -0.03 0.45 -0.22 0.66 0.00 0.00 0.00 179.25 180.10 1pk8 h SER 293 N 0.41 0.00 -0.08 0.00 4.64 -0.72 -2.62 113.55 115.19 1pk8 h SER 293 Ca 0.08 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.22 1pk8 h SER 293 Cb 0.44 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.54 1pk8 h SER 293 CO 0.02 0.22 -0.67 0.58 -0.87 0.00 0.00 176.83 176.12 1pk8 h VAL 294 N 0.00 1.34 -0.75 0.95 2.07 -0.88 -3.01 116.25 115.97 1pk8 h VAL 294 Ca -0.00 -1.98 0.11 0.00 0.82 0.00 0.00 66.70 65.65 1pk8 h VAL 294 Cb 0.84 2.26 -0.05 0.00 -1.52 0.00 0.00 31.29 32.82 1pk8 h VAL 294 CO 0.03 0.60 0.49 0.58 0.02 0.00 0.00 177.57 179.29 1pk8 h VAL 295 N 0.21 0.91 -0.48 2.57 2.07 -1.03 0.29 116.25 120.79 1pk8 h VAL 295 Ca -0.06 -0.21 0.02 0.00 0.82 0.00 0.00 66.70 67.27 1pk8 h VAL 295 Cb 1.33 0.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.31 1pk8 h VAL 295 CO 0.14 0.11 0.32 0.00 0.02 0.00 0.00 177.57 178.16 1pk8 h ALA 296 N 1.63 1.74 0.00 1.67 0.00 -1.34 -1.04 119.26 121.92 1pk8 h ALA 296 Ca 0.35 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 55.10 1pk8 h ALA 296 Cb 0.54 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1pk8 h ALA 296 CO -0.13 0.21 -0.64 -0.07 0.00 0.00 0.00 179.25 178.62 1pk8 h LEU 297 N 0.57 0.00 -0.39 0.00 3.38 -0.42 -2.69 115.31 115.77 1pk8 h LEU 297 Ca 0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1pk8 h LEU 297 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1pk8 h LEU 297 CO -0.05 0.64 0.00 0.35 0.09 0.00 0.00 178.44 179.48 1pk8 n THR 298 N -3.40 0.72 -3.04 0.22 -2.24 -0.47 -4.89 114.28 101.18 1pk8 n THR 298 Ca 0.01 -0.01 -0.20 0.00 -2.27 0.00 0.00 64.05 61.58 1pk8 n THR 298 Cb 0.74 -0.90 0.00 0.00 -2.10 0.00 0.00 70.33 68.07 1pk8 n THR 298 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1pk8 n LYS 299 N -2.26 -3.28 -2.96 -0.78 5.02 -0.78 -4.93 118.16 108.19 1pk8 n LYS 299 Ca 0.04 0.57 -0.08 0.00 -2.02 0.00 0.00 58.31 56.81 1pk8 n LYS 299 Cb 0.32 -5.27 -0.03 0.00 -0.02 0.00 0.00 35.03 30.03 1pk8 n LYS 299 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1pk8 n THR 300 N -3.86 0.00 -1.71 -0.18 5.66 -1.25 -5.09 114.28 107.85 1pk8 n THR 300 Ca -0.07 -1.06 -0.29 0.00 -3.05 0.00 0.00 64.05 59.59 1pk8 n THR 300 Cb 0.57 0.53 0.12 0.00 -1.55 0.00 0.00 70.33 70.01 1pk8 n THR 300 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 1pk8 s TYR 301 N -2.66 2.59 0.17 1.09 -0.85 -1.19 -4.37 117.35 112.13 1pk8 s TYR 301 Ca 0.17 0.76 -0.22 0.00 -0.52 0.00 0.00 57.07 57.27 1pk8 s TYR 301 Cb 0.01 -3.49 0.06 0.00 0.38 0.00 0.00 41.96 38.91 1pk8 s TYR 301 CO 0.12 -2.17 0.58 0.00 -1.52 0.00 0.00 175.55 172.57 1pk8 s ALA 302 N -3.45 -1.44 0.17 9.51 0.00 -0.26 -0.42 121.76 125.87 1pk8 s ALA 302 Ca 0.64 0.29 0.07 0.00 0.00 0.00 0.00 51.96 52.96 1pk8 s ALA 302 Cb -0.12 0.86 -0.04 0.00 0.00 0.00 0.00 23.12 23.81 1pk8 s ALA 302 CO 0.51 -0.79 -0.13 0.95 0.00 0.00 0.00 175.76 176.30 1pk8 s THR 303 N -3.78 1.52 0.01 0.00 -4.23 0.17 -0.07 115.64 109.26 1pk8 s THR 303 Ca 0.03 -2.06 0.02 0.00 -1.18 0.00 0.00 61.69 58.49 1pk8 s THR 303 Cb -0.01 -1.89 -0.01 0.00 1.34 0.00 0.00 72.50 71.93 1pk8 s THR 303 CO -0.10 -0.59 -0.06 0.00 -0.54 0.00 0.00 174.62 173.33 1pk8 s ALA 304 N -2.86 0.47 0.00 3.99 0.00 -0.68 -0.91 121.76 121.78 1pk8 s ALA 304 Ca 0.18 -0.36 -0.16 0.00 0.00 0.00 0.00 51.96 51.62 1pk8 s ALA 304 Cb -0.01 -0.07 0.03 0.00 0.00 0.00 0.00 23.12 23.07 1pk8 s ALA 304 CO 0.04 0.08 0.35 -1.83 0.00 0.00 0.00 175.76 174.40 1pk8 s GLU 305 N -0.48 0.75 0.32 0.00 -1.05 -0.76 -0.26 118.70 117.21 1pk8 s GLU 305 Ca -0.01 -0.24 -0.28 0.00 -0.15 0.00 0.00 54.97 54.30 1pk8 s GLU 305 Cb -0.04 0.34 -0.13 0.00 -0.44 0.00 0.00 34.13 33.85 1pk8 s GLU 305 CO -0.00 -0.22 1.12 -2.30 0.95 0.00 0.00 175.26 174.81 1pk8 n PRO 306 N 1.02 1.67 -2.67 -4.83 -0.02 -1.25 0.18 135.00 129.10 1pk8 n PRO 306 Ca -0.20 0.58 -0.41 0.00 -2.02 0.00 0.00 63.50 61.45 1pk8 n PRO 306 Cb 0.57 -2.05 -0.05 0.00 -0.02 0.00 0.00 33.50 31.95 1pk8 n PRO 306 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 1pk8 s PHE 307 N -1.09 3.80 -0.23 6.00 5.36 -0.27 -4.53 117.98 127.02 1pk8 s PHE 307 Ca 0.58 1.79 -0.02 0.00 -0.96 0.00 0.00 56.93 58.32 1pk8 s PHE 307 Cb -0.64 -3.10 0.02 0.00 -0.34 0.00 0.00 43.02 38.96 1pk8 s PHE 307 CO 0.61 0.05 -0.07 0.42 -1.46 0.00 0.00 175.22 174.77 1pk8 s ILE 308 N -0.51 2.86 -0.87 3.12 1.01 -1.26 -4.85 121.20 120.70 1pk8 s ILE 308 Ca 0.45 -0.92 -0.25 0.00 0.00 0.00 0.00 60.65 59.93 1pk8 s ILE 308 Cb -0.26 -2.40 0.03 0.00 0.01 0.00 0.00 42.46 39.84 1pk8 s ILE 308 CO 0.32 0.28 1.41 -0.62 0.00 0.00 0.00 174.94 176.33 1pk8 s ASP 309 N 1.35 6.23 0.13 3.58 -1.08 -1.26 -4.95 116.67 120.67 1pk8 s ASP 309 Ca 0.02 -0.87 -0.13 0.00 -0.52 0.00 0.00 52.55 51.05 1pk8 s ASP 309 Cb -0.16 -2.56 -0.07 0.00 -1.46 0.00 0.00 42.92 38.67 1pk8 s ASP 309 CO -0.05 -1.76 0.52 0.00 0.52 0.00 0.00 175.17 174.40 1pk8 s ALA 310 N 5.74 3.61 0.16 3.66 0.00 -1.26 -1.25 121.76 132.41 1pk8 s ALA 310 Ca 0.43 -0.18 -0.03 0.00 0.00 0.00 0.00 51.96 52.18 1pk8 s ALA 310 Cb -0.05 -2.48 0.01 0.00 0.00 0.00 0.00 23.12 20.61 1pk8 s ALA 310 CO 0.04 0.48 1.40 -0.22 0.00 0.00 0.00 175.76 177.45 1pk8 h LYS 311 N 3.58 0.44 -1.27 0.00 3.64 -0.55 -3.44 116.57 118.97 1pk8 h LYS 311 Ca -0.49 -0.38 0.30 0.00 -1.27 0.00 0.00 60.65 58.81 1pk8 h LYS 311 Cb 1.19 0.09 -0.19 0.00 -0.41 0.00 0.00 32.23 32.91 1pk8 h LYS 311 CO 0.66 1.02 0.89 1.52 -2.27 0.00 0.00 179.45 181.27 1pk8 s TYR 312 N -3.56 -0.07 0.18 1.91 -0.85 -1.18 -4.86 117.35 108.92 1pk8 s TYR 312 Ca -0.06 0.04 0.08 0.00 -0.52 0.00 0.00 57.07 56.61 1pk8 s TYR 312 Cb 0.10 0.51 -0.04 0.00 0.38 0.00 0.00 41.96 42.91 1pk8 s TYR 312 CO 0.85 -0.12 -0.05 0.16 -1.52 0.00 0.00 175.55 174.86 1pk8 s ASP 313 N -2.20 4.48 0.15 -0.18 1.47 -0.66 -0.95 116.67 118.77 1pk8 s ASP 313 Ca 0.11 -0.50 0.09 0.00 1.18 0.00 0.00 52.55 53.43 1pk8 s ASP 313 Cb -0.00 -0.85 -0.04 0.00 -0.34 0.00 0.00 42.92 41.69 1pk8 s ASP 313 CO -0.04 0.10 -0.20 -0.69 0.68 0.00 0.00 175.17 175.03 1pk8 s VAL 314 N -1.72 1.83 -0.04 2.11 1.01 0.17 -1.10 120.40 122.67 1pk8 s VAL 314 Ca 0.26 -1.81 -0.00 0.00 0.00 0.00 0.00 61.98 60.43 1pk8 s VAL 314 Cb -0.09 -1.78 0.03 0.00 0.00 0.00 0.00 36.38 34.54 1pk8 s VAL 314 CO 0.17 -0.22 0.00 -0.60 0.00 0.00 0.00 175.10 174.45 1pk8 s ARG 315 N -2.51 0.36 -0.27 2.72 3.52 -0.19 -0.18 118.95 122.40 1pk8 s ARG 315 Ca 0.13 0.11 -0.06 0.00 -0.13 0.00 0.00 55.73 55.78 1pk8 s ARG 315 Cb -0.07 -0.62 -0.00 0.00 -1.56 0.00 0.00 34.95 32.70 1pk8 s ARG 315 CO 0.06 -0.19 0.04 0.08 -0.81 0.00 0.00 175.30 174.48 1pk8 s VAL 316 N 1.36 3.82 0.12 7.11 1.01 -0.27 -1.14 120.40 132.41 1pk8 s VAL 316 Ca -0.05 -0.58 0.05 0.00 0.00 0.00 0.00 61.98 61.41 1pk8 s VAL 316 Cb -0.13 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.32 1pk8 s VAL 316 CO -0.02 0.21 0.03 0.00 0.00 0.00 0.00 175.10 175.31 1pk8 s GLN 317 N 1.50 2.58 -0.15 2.72 -2.07 -0.27 -0.10 119.66 123.87 1pk8 s GLN 317 Ca 0.04 -0.91 -0.03 0.00 -1.82 0.00 0.00 55.36 52.64 1pk8 s GLN 317 Cb -0.16 -2.52 0.05 0.00 -1.09 0.00 0.00 33.01 29.29 1pk8 s GLN 317 CO 0.01 0.51 0.04 0.21 -1.32 0.00 0.00 175.29 174.74 1pk8 s LYS 318 N -2.62 0.49 -0.40 9.60 2.20 0.80 -2.46 119.74 127.36 1pk8 s LYS 318 Ca 0.27 -0.18 -0.02 0.00 -0.36 0.00 0.00 55.97 55.68 1pk8 s LYS 318 Cb -0.11 -1.69 0.11 0.00 -1.51 0.00 0.00 37.83 34.63 1pk8 s LYS 318 CO 0.19 -0.55 0.19 0.42 -0.36 0.00 0.00 175.35 175.24 1pk8 s ILE 319 N 1.96 3.15 0.00 5.43 1.01 0.05 -2.29 121.20 130.50 1pk8 s ILE 319 Ca 0.01 -2.11 0.00 0.00 0.00 0.00 0.00 60.65 58.55 1pk8 s ILE 319 Cb -0.15 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.14 1pk8 s ILE 319 CO -0.07 -0.68 0.00 0.61 0.00 0.00 0.00 174.94 174.79 1pk8 n GLY 320 N 4.53 1.29 0.00 6.18 0.00 -0.88 -1.03 105.19 115.28 1pk8 n GLY 320 Ca -0.01 0.23 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1pk8 n GLY 320 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1pk8 n GLN 321 N 0.00 1.31 -3.47 1.61 1.13 -1.26 -5.02 117.38 111.68 1pk8 n GLN 321 Ca 0.00 -0.97 -0.37 0.00 -1.94 0.00 0.00 57.00 53.71 1pk8 n GLN 321 Cb 0.00 -0.87 -0.08 0.00 0.11 0.00 0.00 30.24 29.40 1pk8 n GLN 321 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 1pk8 s ASN 322 N -0.51 6.40 0.24 1.08 3.84 -0.20 -5.08 114.94 120.70 1pk8 s ASN 322 Ca 0.00 0.46 0.08 0.00 0.21 0.00 0.00 52.86 53.61 1pk8 s ASN 322 Cb 0.00 -2.20 -0.04 0.00 -0.55 0.00 0.00 41.25 38.46 1pk8 s ASN 322 CO 0.00 -0.00 0.04 -0.31 -2.79 0.00 0.00 177.10 174.04 1pk8 s TYR 323 N 1.02 2.83 -0.17 0.43 1.51 -1.26 -0.77 117.35 120.93 1pk8 s TYR 323 Ca 0.17 -0.17 -0.28 0.00 -1.01 0.00 0.00 57.07 55.77 1pk8 s TYR 323 Cb -0.14 -1.29 0.09 0.00 -0.11 0.00 0.00 41.96 40.51 1pk8 s TYR 323 CO 0.06 0.57 0.80 0.15 -1.11 0.00 0.00 175.55 176.02 1pk8 s LYS 324 N -3.53 0.83 -0.06 -0.62 1.02 -1.03 -5.00 119.74 111.35 1pk8 s LYS 324 Ca 0.31 0.53 0.03 0.00 0.02 0.00 0.00 55.97 56.86 1pk8 s LYS 324 Cb -0.07 0.40 0.00 0.00 -0.52 0.00 0.00 37.83 37.63 1pk8 s LYS 324 CO 0.21 -0.19 -0.16 0.00 -0.92 0.00 0.00 175.35 174.29 1pk8 s ALA 325 N -0.45 1.49 -0.04 5.17 0.00 -1.26 -1.12 121.76 125.56 1pk8 s ALA 325 Ca -0.04 -0.62 0.04 0.00 0.00 0.00 0.00 51.96 51.35 1pk8 s ALA 325 Cb -0.02 -0.56 -0.00 0.00 0.00 0.00 0.00 23.12 22.53 1pk8 s ALA 325 CO 0.03 0.22 -0.17 0.71 0.00 0.00 0.00 175.76 176.55 1pk8 s TYR 326 N 0.30 1.64 -0.20 0.00 2.02 -0.29 -0.78 117.35 120.05 1pk8 s TYR 326 Ca -0.09 -0.45 -0.04 0.00 -0.37 0.00 0.00 57.07 56.11 1pk8 s TYR 326 Cb -0.14 -1.10 -0.02 0.00 -0.40 0.00 0.00 41.96 40.30 1pk8 s TYR 326 CO 0.04 -0.14 -0.02 1.41 -1.57 0.00 0.00 175.55 175.27 1pk8 s MET 327 N -0.01 3.58 -0.01 -0.62 -2.45 0.10 -1.02 119.30 118.86 1pk8 s MET 327 Ca -0.02 -0.54 0.06 0.00 -1.25 0.00 0.00 55.69 53.93 1pk8 s MET 327 Cb -0.11 -3.03 -0.03 0.00 1.25 0.00 0.00 34.83 32.92 1pk8 s MET 327 CO 0.02 0.02 -0.19 0.50 1.05 0.00 0.00 175.02 176.41 1pk8 s ARG 328 N 0.97 2.25 -0.22 4.11 3.52 -0.25 0.14 118.95 129.47 1pk8 s ARG 328 Ca 0.01 -0.85 -0.03 0.00 -0.13 0.00 0.00 55.73 54.72 1pk8 s ARG 328 Cb -0.14 -2.22 0.10 0.00 -1.56 0.00 0.00 34.95 31.12 1pk8 s ARG 328 CO 0.01 0.58 0.23 -0.08 -0.81 0.00 0.00 175.30 175.24 1pk8 s THR 329 N -0.76 -0.33 -0.78 4.11 -1.32 -1.26 -1.65 115.64 113.64 1pk8 s THR 329 Ca 0.12 -0.20 0.26 0.00 -1.21 0.00 0.00 61.69 60.66 1pk8 s THR 329 Cb -0.10 -0.74 0.15 0.00 -1.51 0.00 0.00 72.50 70.30 1pk8 s THR 329 CO 0.02 -0.27 1.59 -2.67 -2.21 0.00 0.00 174.62 171.08 1pk8 n TRP 335 N 5.32 0.51 -3.23 9.09 4.27 -1.26 -4.78 117.44 127.36 1pk8 n TRP 335 Ca -0.05 0.15 -0.36 0.00 -3.89 0.00 0.00 57.50 53.34 1pk8 n TRP 335 Cb 0.49 -0.67 -0.03 0.00 -1.36 0.00 0.00 31.31 29.74 1pk8 n TRP 335 CO 0.00 0.00 0.00 0.36 -2.29 0.00 0.00 177.69 175.76 1pk8 n LYS 336 N -1.97 3.57 0.00 -2.67 2.85 -1.26 -5.06 118.16 113.62 1pk8 n LYS 336 Ca 0.05 -4.59 0.00 0.00 -1.05 0.00 0.00 58.31 52.72 1pk8 n LYS 336 Cb 0.40 -2.41 0.00 0.00 -0.65 0.00 0.00 35.03 32.38 1pk8 n LYS 336 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 1pk8 n THR 337 N 1.26 0.00 -3.54 0.58 -2.24 -1.26 -5.09 114.28 103.99 1pk8 n THR 337 Ca 0.27 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.87 1pk8 n THR 337 Cb 0.36 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.53 1pk8 n THR 337 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1pk8 s LEU 344 N 0.00 -0.58 -0.28 3.22 1.43 -1.26 -5.13 118.68 116.08 1pk8 s LEU 344 Ca 0.00 0.72 -0.05 0.00 -1.03 0.00 0.00 54.13 53.77 1pk8 s LEU 344 Cb 0.00 2.46 0.15 0.00 0.03 0.00 0.00 46.19 48.84 1pk8 s LEU 344 CO 0.00 -0.58 0.58 -0.70 0.23 0.00 0.00 176.35 175.87 1pk8 s GLU 345 N -1.12 0.53 0.33 1.70 2.12 0.12 -4.97 118.70 117.40 1pk8 s GLU 345 Ca -0.11 1.12 -0.28 0.00 0.36 0.00 0.00 54.97 56.06 1pk8 s GLU 345 Cb -0.01 0.54 -0.10 0.00 0.26 0.00 0.00 34.13 34.83 1pk8 s GLU 345 CO 0.09 -0.44 1.25 -1.14 -0.54 0.00 0.00 175.26 174.48 1pk8 s GLN 346 N 2.82 4.37 0.20 4.30 0.74 -1.26 0.02 119.66 130.85 1pk8 s GLN 346 Ca 0.09 2.09 0.02 0.00 0.05 0.00 0.00 55.36 57.61 1pk8 s GLN 346 Cb -0.14 -3.05 -0.05 0.00 1.10 0.00 0.00 33.01 30.87 1pk8 s GLN 346 CO -0.19 -0.13 0.02 0.96 -0.55 0.00 0.00 175.29 175.40 1pk8 s ILE 347 N -1.17 0.75 0.66 -2.34 -4.36 0.04 -4.87 121.20 109.90 1pk8 s ILE 347 Ca 0.49 -2.00 -0.18 0.00 -0.26 0.00 0.00 60.65 58.71 1pk8 s ILE 347 Cb -0.37 -2.27 -0.00 0.00 1.25 0.00 0.00 42.46 41.06 1pk8 s ILE 347 CO 0.49 -0.35 1.27 0.00 0.24 0.00 0.00 174.94 176.59 1pk8 s ALA 348 N -3.62 2.35 0.17 2.27 0.00 -1.26 -4.00 121.76 117.66 1pk8 s ALA 348 Ca 0.28 1.13 -0.14 0.00 0.00 0.00 0.00 51.96 53.22 1pk8 s ALA 348 Cb 0.06 -3.53 -0.07 0.00 0.00 0.00 0.00 23.12 19.59 1pk8 s ALA 348 CO 0.07 -1.60 0.57 -1.64 0.00 0.00 0.00 175.76 173.16 1pk8 s MET 349 N -3.47 3.98 0.12 0.00 -1.94 -1.26 -4.83 119.30 111.90 1pk8 s MET 349 Ca 0.80 0.50 0.07 0.00 -1.71 0.00 0.00 55.69 55.35 1pk8 s MET 349 Cb -0.35 -2.88 -0.04 0.00 2.01 0.00 0.00 34.83 33.57 1pk8 s MET 349 CO 0.40 0.45 -0.17 -1.54 -0.01 0.00 0.00 175.02 174.14 1pk8 s SER 350 N -1.80 2.29 0.58 3.03 1.04 -1.26 -5.00 113.70 112.58 1pk8 s SER 350 Ca 0.40 -0.76 0.29 0.00 0.48 0.00 0.00 55.95 56.35 1pk8 s SER 350 Cb -0.15 -0.11 1.49 0.00 0.10 0.00 0.00 66.02 67.35 1pk8 s SER 350 CO 0.19 -0.05 1.93 0.44 0.98 0.00 0.00 173.24 176.74 1pk8 h ASP 351 N 3.70 0.00 0.33 7.02 5.19 -1.98 0.71 116.42 131.39 1pk8 h ASP 351 Ca -0.42 0.00 -0.02 0.00 -0.62 0.00 0.00 57.03 55.97 1pk8 h ASP 351 Cb 1.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.71 1pk8 h ASP 351 CO 0.46 0.00 -0.16 -0.09 -3.12 0.00 0.00 179.24 176.33 1pk8 h ARG 352 N 0.00 -0.43 -0.16 3.56 2.43 -1.98 -2.25 114.38 115.55 1pk8 h ARG 352 Ca 0.22 0.03 0.05 0.00 -0.81 0.00 0.00 59.98 59.47 1pk8 h ARG 352 Cb 1.13 0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 30.72 1pk8 h ARG 352 CO -0.00 -0.12 -0.18 1.88 -1.51 0.00 0.00 179.97 180.04 1pk8 h TYR 353 N -0.96 -0.48 -0.95 2.20 0.05 -1.48 -0.55 116.97 114.81 1pk8 h TYR 353 Ca -0.05 0.03 0.23 0.00 0.05 0.00 0.00 58.73 58.99 1pk8 h TYR 353 Cb 0.51 0.24 -0.07 0.00 1.01 0.00 0.00 36.73 38.42 1pk8 h TYR 353 CO 0.03 -0.26 0.63 -0.22 -1.05 0.00 0.00 178.16 177.29 1pk8 h LYS 354 N -0.22 0.36 -0.50 4.88 3.64 -1.00 0.58 116.57 124.30 1pk8 h LYS 354 Ca 0.11 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 1pk8 h LYS 354 Cb 0.38 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.10 1pk8 h LYS 354 CO -0.29 0.24 -0.03 1.25 -2.27 0.00 0.00 179.45 178.35 1pk8 h LEU 355 N 0.37 0.90 0.85 5.20 5.85 -0.47 -1.68 115.31 126.33 1pk8 h LEU 355 Ca 0.50 -0.32 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 1pk8 h LEU 355 Cb 1.32 -0.24 0.01 0.00 0.37 0.00 0.00 40.66 42.11 1pk8 h LEU 355 CO -0.19 1.01 -0.43 -0.50 -0.34 0.00 0.00 178.44 177.99 1pk8 h TRP 356 N 0.77 -1.11 -0.77 1.25 6.55 -0.54 -1.48 115.95 120.63 1pk8 h TRP 356 Ca 0.14 -0.02 0.01 0.00 0.95 0.00 0.00 58.89 59.97 1pk8 h TRP 356 Cb 0.56 0.37 -0.04 0.00 -0.86 0.00 0.00 29.16 29.20 1pk8 h TRP 356 CO 0.04 -0.68 0.51 -0.24 -1.05 0.00 0.00 178.44 177.02 1pk8 h VAL 357 N -1.17 1.18 -0.55 1.49 3.04 -1.56 -1.42 116.25 117.26 1pk8 h VAL 357 Ca -0.12 -0.35 -0.10 0.00 -1.01 0.00 0.00 66.70 65.13 1pk8 h VAL 357 Cb 0.90 0.07 -0.02 0.00 -2.01 0.00 0.00 31.29 30.23 1pk8 h VAL 357 CO 0.18 0.19 -0.04 0.44 -1.01 0.00 0.00 177.57 177.33 1pk8 h ASP 358 N 1.02 0.98 -0.33 3.17 3.32 -1.27 -0.18 116.42 123.13 1pk8 h ASP 358 Ca 0.29 -0.32 -0.14 0.00 0.02 0.00 0.00 57.03 56.88 1pk8 h ASP 358 Cb -0.08 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.20 1pk8 h ASP 358 CO -0.07 1.07 -0.34 0.71 -1.72 0.00 0.00 179.24 178.90 1pk8 h THR 359 N 0.88 1.29 -0.28 0.35 1.35 -0.83 -3.18 112.91 112.48 1pk8 h THR 359 Ca 0.15 -1.51 -0.14 0.00 -0.55 0.00 0.00 66.41 64.37 1pk8 h THR 359 Cb 0.59 1.49 -0.01 0.00 -1.73 0.00 0.00 68.15 68.49 1pk8 h THR 359 CO 0.04 0.49 -0.39 0.00 -0.25 0.00 0.00 175.52 175.41 1pk8 h SER 361 N 0.55 0.00 0.33 0.00 4.64 -1.00 -1.44 113.55 116.62 1pk8 h SER 361 Ca 0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1pk8 h SER 361 Cb 0.92 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1pk8 h SER 361 CO 0.08 0.00 -0.61 -0.62 -0.87 0.00 0.00 176.83 174.81 1pk8 n GLU 362 N -2.31 0.12 -1.58 4.77 1.02 -1.16 0.90 120.64 122.39 1pk8 n GLU 362 Ca -0.01 -0.08 -0.34 0.00 -0.02 0.00 0.00 57.16 56.71 1pk8 n GLU 362 Cb 0.18 -1.50 0.07 0.00 -0.02 0.00 0.00 31.44 30.17 1pk8 n GLU 362 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 1pk8 s ILE 363 N -2.94 2.72 -1.56 -3.67 -4.36 -0.54 -3.05 121.20 107.80 1pk8 s ILE 363 Ca 0.12 0.35 -0.14 0.00 -0.26 0.00 0.00 60.65 60.71 1pk8 s ILE 363 Cb 0.17 -2.89 0.09 0.00 1.25 0.00 0.00 42.46 41.09 1pk8 s ILE 363 CO 0.72 -0.20 0.93 0.49 0.24 0.00 0.00 174.94 177.13 1pk8 n PHE 364 N -2.57 -2.18 -0.72 1.37 3.72 -1.26 -1.61 117.46 114.21 1pk8 n PHE 364 Ca 0.12 0.88 0.00 0.00 -0.05 0.00 0.00 57.45 58.40 1pk8 n PHE 364 Cb 0.51 -3.81 0.00 0.00 -0.94 0.00 0.00 39.48 35.24 1pk8 n PHE 364 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1pk8 n GLY 365 N -1.64 1.36 0.00 1.37 0.00 -1.22 -4.50 105.19 100.56 1pk8 n GLY 365 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.05 1pk8 n GLY 365 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pk8 n GLY 366 N -2.00 3.97 3.19 -0.02 0.00 -0.64 -5.03 105.19 104.66 1pk8 n GLY 366 Ca 0.00 -1.28 -0.35 0.00 0.00 0.00 0.00 46.02 44.39 1pk8 n GLY 366 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1pk8 s LEU 367 N 0.00 3.73 0.26 0.99 1.43 0.26 -4.66 118.68 120.68 1pk8 s LEU 367 Ca 0.00 -1.15 -0.01 0.00 -1.03 0.00 0.00 54.13 51.94 1pk8 s LEU 367 Cb 0.00 -1.71 0.33 0.00 0.03 0.00 0.00 46.19 44.84 1pk8 s LEU 367 CO 0.00 -0.23 1.73 0.44 0.23 0.00 0.00 176.35 178.52 1pk8 h ASP 368 N 8.01 0.69 -3.26 2.29 3.32 -1.92 -3.41 116.42 122.14 1pk8 h ASP 368 Ca -0.24 -0.20 -0.56 0.00 0.02 0.00 0.00 57.03 56.05 1pk8 h ASP 368 Cb 1.07 -0.18 -0.35 0.00 0.22 0.00 0.00 39.33 40.09 1pk8 h ASP 368 CO 0.55 0.83 -0.82 -0.63 -1.72 0.00 0.00 179.24 177.44 1pk8 s ILE 369 N -4.79 1.32 -0.04 0.35 1.01 -1.26 -2.06 121.20 115.73 1pk8 s ILE 369 Ca -0.09 -0.53 -0.29 0.00 0.00 0.00 0.00 60.65 59.74 1pk8 s ILE 369 Cb 0.14 -1.24 0.11 0.00 0.01 0.00 0.00 42.46 41.48 1pk8 s ILE 369 CO 0.81 0.41 0.92 0.00 0.00 0.00 0.00 174.94 177.07 1pk8 s ALA 371 N -2.77 -0.37 -0.14 0.00 0.00 -0.93 -0.14 121.76 117.41 1pk8 s ALA 371 Ca 0.04 -0.22 0.01 0.00 0.00 0.00 0.00 51.96 51.79 1pk8 s ALA 371 Cb -0.01 0.23 -0.00 0.00 0.00 0.00 0.00 23.12 23.34 1pk8 s ALA 371 CO -0.07 -0.32 -0.17 0.08 0.00 0.00 0.00 175.76 175.28 1pk8 s VAL 372 N -2.23 2.57 -0.09 0.00 1.01 0.86 -0.40 120.40 122.10 1pk8 s VAL 372 Ca -0.08 -0.82 -0.11 0.00 0.00 0.00 0.00 61.98 60.98 1pk8 s VAL 372 Cb -0.03 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.25 1pk8 s VAL 372 CO -0.02 0.53 0.25 -1.61 0.00 0.00 0.00 175.10 174.25 1pk8 s GLU 373 N 0.62 3.75 0.03 2.72 2.02 0.10 -1.12 118.70 126.82 1pk8 s GLU 373 Ca -0.09 0.08 0.01 0.00 0.02 0.00 0.00 54.97 54.98 1pk8 s GLU 373 Cb -0.16 -3.24 -0.02 0.00 0.10 0.00 0.00 34.13 30.80 1pk8 s GLU 373 CO 0.03 0.65 -0.04 0.00 0.02 0.00 0.00 175.26 175.92 1pk8 s ALA 374 N -0.77 0.26 -0.11 5.21 0.00 0.75 -1.05 121.76 126.05 1pk8 s ALA 374 Ca 0.18 -0.67 -0.02 0.00 0.00 0.00 0.00 51.96 51.45 1pk8 s ALA 374 Cb -0.14 0.13 -0.03 0.00 0.00 0.00 0.00 23.12 23.09 1pk8 s ALA 374 CO 0.07 -0.14 -0.05 -0.51 0.00 0.00 0.00 175.76 175.13 1pk8 s LEU 375 N -1.57 3.22 -0.43 0.00 1.43 0.24 0.46 118.68 122.02 1pk8 s LEU 375 Ca -0.13 -0.07 -0.08 0.00 -1.03 0.00 0.00 54.13 52.81 1pk8 s LEU 375 Cb -0.09 -1.74 0.10 0.00 0.03 0.00 0.00 46.19 44.49 1pk8 s LEU 375 CO -0.01 0.26 0.28 -2.28 0.23 0.00 0.00 176.35 174.83 1pk8 s HIS 376 N -0.19 3.40 1.13 0.29 5.65 -0.12 0.12 115.29 125.58 1pk8 s HIS 376 Ca 0.03 -1.79 -0.13 0.00 0.25 0.00 0.00 55.06 53.42 1pk8 s HIS 376 Cb -0.13 -3.19 0.27 0.00 -1.18 0.00 0.00 32.58 28.35 1pk8 s HIS 376 CO 0.03 -0.92 1.04 0.20 -0.65 0.00 0.00 174.74 174.43 1pk8 s GLY 377 N 2.28 1.56 0.00 1.59 0.00 0.95 0.04 107.32 113.73 1pk8 s GLY 377 Ca 0.05 -0.09 0.28 0.00 0.00 0.00 0.00 44.72 44.96 1pk8 s GLY 377 CO 0.00 0.60 1.95 0.28 0.00 0.00 0.00 173.10 175.93 1pk8 n LYS 378 N -4.81 0.27 -0.96 2.90 5.02 -0.38 -2.70 118.16 117.50 1pk8 n LYS 378 Ca 0.04 0.02 -0.00 0.00 -2.02 0.00 0.00 58.31 56.34 1pk8 n LYS 378 Cb 0.54 -1.50 0.34 0.00 -0.02 0.00 0.00 35.03 34.40 1pk8 n LYS 378 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1pk8 n ASP 379 N -1.36 5.16 0.00 4.39 5.75 -1.26 -4.93 116.55 124.29 1pk8 n ASP 379 Ca 0.11 -3.12 0.00 0.00 -0.01 0.00 0.00 54.79 51.78 1pk8 n ASP 379 Cb 0.26 -0.72 0.00 0.00 -1.03 0.00 0.00 41.12 39.63 1pk8 n ASP 379 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1pk8 n GLY 380 N 0.12 0.52 3.86 6.12 0.00 -1.10 -5.00 105.19 109.72 1pk8 n GLY 380 Ca 0.35 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 1pk8 n GLY 380 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1pk8 s ARG 381 N -0.49 3.82 0.15 1.61 0.52 -1.26 -4.87 118.95 118.43 1pk8 s ARG 381 Ca 0.00 0.27 0.05 0.00 -0.52 0.00 0.00 55.73 55.52 1pk8 s ARG 381 Cb 0.00 -2.88 -0.04 0.00 0.52 0.00 0.00 34.95 32.55 1pk8 s ARG 381 CO 0.00 0.47 0.13 -0.51 0.02 0.00 0.00 175.30 175.41 1pk8 s ASP 382 N -1.95 5.54 -0.17 0.23 1.01 -1.26 -0.04 116.67 120.03 1pk8 s ASP 382 Ca 0.39 -0.10 -0.04 0.00 0.71 0.00 0.00 52.55 53.50 1pk8 s ASP 382 Cb -0.13 -1.46 0.08 0.00 1.01 0.00 0.00 42.92 42.42 1pk8 s ASP 382 CO 0.20 0.09 0.26 -1.00 0.21 0.00 0.00 175.17 174.92 1pk8 s HIS 383 N -1.68 -0.41 -0.09 4.23 3.76 0.12 -4.88 115.29 116.34 1pk8 s HIS 383 Ca 0.31 0.66 -0.30 0.00 -0.15 0.00 0.00 55.06 55.58 1pk8 s HIS 383 Cb -0.10 -0.16 -0.02 0.00 1.11 0.00 0.00 32.58 33.40 1pk8 s HIS 383 CO 0.23 -0.49 1.16 0.42 -0.85 0.00 0.00 174.74 175.21 1pk8 s ILE 384 N 2.40 4.40 -0.15 0.60 1.01 0.05 0.79 121.20 130.28 1pk8 s ILE 384 Ca 0.05 1.70 0.11 0.00 0.00 0.00 0.00 60.65 62.51 1pk8 s ILE 384 Cb -0.14 -4.10 -0.15 0.00 0.01 0.00 0.00 42.46 38.08 1pk8 s ILE 384 CO -0.11 -0.02 0.30 2.30 0.00 0.00 0.00 174.94 177.41 1pk8 n ILE 385 N 4.72 0.00 -3.59 2.92 -5.35 -0.21 -0.96 119.36 116.89 1pk8 n ILE 385 Ca 0.11 -0.25 -0.07 0.00 -0.27 0.00 0.00 62.75 62.26 1pk8 n ILE 385 Cb 0.47 0.47 -0.04 0.00 -1.74 0.00 0.00 39.64 38.79 1pk8 n ILE 385 CO 0.00 0.00 0.00 -0.70 -1.76 0.00 0.00 176.55 174.09 1pk8 s GLU 386 N -2.54 0.44 -0.12 6.28 2.12 -1.19 -5.01 118.70 118.68 1pk8 s GLU 386 Ca -0.02 0.05 0.02 0.00 0.36 0.00 0.00 54.97 55.38 1pk8 s GLU 386 Cb 0.07 0.21 -0.00 0.00 0.26 0.00 0.00 34.13 34.67 1pk8 s GLU 386 CO 0.45 -0.15 -0.19 0.54 -0.54 0.00 0.00 175.26 175.36 1pk8 s VAL 387 N -1.39 2.42 0.22 3.70 0.11 -1.26 0.00 120.40 124.21 1pk8 s VAL 387 Ca 0.03 -0.88 0.08 0.00 -2.93 0.00 0.00 61.98 58.28 1pk8 s VAL 387 Cb -0.01 -1.97 -0.04 0.00 -1.53 0.00 0.00 36.38 32.83 1pk8 s VAL 387 CO -0.02 0.54 0.02 0.68 -3.33 0.00 0.00 175.10 172.99 1pk8 s VAL 388 N 0.46 3.70 0.00 2.04 -7.23 0.46 -4.96 120.40 114.86 1pk8 s VAL 388 Ca -0.14 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 1pk8 s VAL 388 Cb -0.17 -2.92 0.00 0.00 0.56 0.00 0.00 36.38 33.85 1pk8 s VAL 388 CO 0.06 -0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.21 1pk8 n GLY 389 N -0.57 1.70 0.00 2.32 0.00 -1.26 -2.19 105.19 105.18 1pk8 n GLY 389 Ca -0.08 -1.83 0.06 0.00 0.00 0.00 0.00 46.02 44.17 1pk8 n GLY 389 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1pk8 n SER 390 N 0.00 0.00 -0.56 1.61 3.41 -1.12 -1.56 113.62 115.40 1pk8 n SER 390 Ca 0.00 -0.46 0.12 0.00 -0.26 0.00 0.00 58.87 58.27 1pk8 n SER 390 Cb 0.00 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.06 1pk8 n SER 390 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pk8 n SER 391 N -0.95 2.05 -4.67 4.04 3.41 -1.26 -4.32 113.62 111.92 1pk8 n SER 391 Ca 0.09 -1.52 -0.53 0.00 -0.26 0.00 0.00 58.87 56.65 1pk8 n SER 391 Cb 0.04 0.30 -0.06 0.00 -0.26 0.00 0.00 64.21 64.23 1pk8 n SER 391 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 175.04 176.03 1pk8 n MET 392 N 0.19 1.55 -1.69 4.33 3.85 -0.60 -4.83 117.12 119.91 1pk8 n MET 392 Ca 0.11 0.57 -0.38 0.00 -1.00 0.00 0.00 57.70 57.00 1pk8 n MET 392 Cb 0.47 -2.29 0.06 0.00 -1.05 0.00 0.00 33.22 30.41 1pk8 n MET 392 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1pk8 n PRO 393 N 4.88 1.14 -3.31 3.17 -0.04 -1.26 -4.94 135.00 134.64 1pk8 n PRO 393 Ca 0.23 0.44 -0.39 0.00 -0.04 0.00 0.00 63.50 63.74 1pk8 n PRO 393 Cb 0.21 -2.42 -0.07 0.00 -0.04 0.00 0.00 33.50 31.18 1pk8 n PRO 393 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1pk8 s LEU 394 N -3.40 4.15 0.51 1.53 1.43 -1.26 -5.05 118.68 116.59 1pk8 s LEU 394 Ca 0.78 0.61 0.01 0.00 -1.03 0.00 0.00 54.13 54.51 1pk8 s LEU 394 Cb -0.40 -2.62 -0.01 0.00 0.03 0.00 0.00 46.19 43.18 1pk8 s LEU 394 CO 0.44 -0.13 0.01 0.27 0.23 0.00 0.00 176.35 177.17 1pk8 s ILE 395 N 1.45 1.19 0.03 -0.59 -4.36 -1.26 -4.93 121.20 112.74 1pk8 s ILE 395 Ca 0.22 -1.99 0.00 0.00 -0.26 0.00 0.00 60.65 58.62 1pk8 s ILE 395 Cb -0.15 -2.18 0.00 0.00 1.25 0.00 0.00 42.46 41.37 1pk8 s ILE 395 CO 0.09 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.88 1pk8 n GLY 396 N -1.26 -1.44 0.00 6.27 0.00 -1.26 -4.13 105.19 103.37 1pk8 n GLY 396 Ca -0.19 -1.17 0.08 0.00 0.00 0.00 0.00 46.02 44.75 1pk8 n GLY 396 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1pk8 n ASP 397 N -1.83 0.00 -1.44 1.61 5.75 -1.26 -3.66 116.55 115.71 1pk8 n ASP 397 Ca 0.00 -0.93 -0.03 0.00 -0.01 0.00 0.00 54.79 53.81 1pk8 n ASP 397 Cb 0.07 0.00 0.10 0.00 -1.03 0.00 0.00 41.12 40.26 1pk8 n ASP 397 CO 0.00 0.00 0.00 1.41 -0.11 0.00 0.00 177.20 178.50 1pk8 n HIS 398 N -0.86 0.90 0.08 2.11 8.25 -1.26 -4.84 115.22 119.60 1pk8 n HIS 398 Ca 0.12 -1.58 -0.12 0.00 -0.26 0.00 0.00 57.72 55.89 1pk8 n HIS 398 Cb 0.06 -0.25 -0.05 0.00 1.12 0.00 0.00 29.99 30.87 1pk8 n HIS 398 CO 0.00 0.00 0.00 1.96 0.64 0.00 0.00 176.34 178.94 1pk8 h GLN 399 N 1.52 -0.35 -0.42 -0.41 4.20 -1.71 -1.44 115.11 116.50 1pk8 h GLN 399 Ca 0.04 0.02 0.02 0.00 0.06 0.00 0.00 58.65 58.79 1pk8 h GLN 399 Cb 1.35 0.08 -0.02 0.00 0.30 0.00 0.00 27.48 29.19 1pk8 h GLN 399 CO 0.25 -0.24 0.28 -0.44 -0.67 0.00 0.00 178.83 178.01 1pk8 h ASP 400 N -0.37 0.43 -0.38 1.46 5.19 -1.92 0.21 116.42 121.05 1pk8 h ASP 400 Ca 0.05 -0.01 -0.11 0.00 -0.62 0.00 0.00 57.03 56.33 1pk8 h ASP 400 Cb 0.42 -0.11 -0.02 0.00 0.18 0.00 0.00 39.33 39.81 1pk8 h ASP 400 CO -0.17 0.31 -0.18 -0.08 -3.12 0.00 0.00 179.24 176.01 1pk8 h GLU 401 N 0.51 0.86 -0.44 3.56 4.81 -1.80 -1.77 114.58 120.31 1pk8 h GLU 401 Ca 0.16 -0.33 -0.04 0.00 -0.13 0.00 0.00 59.36 59.02 1pk8 h GLU 401 Cb 0.02 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.33 1pk8 h GLU 401 CO -0.04 0.97 0.12 -0.44 -0.73 0.00 0.00 179.01 178.89 1pk8 h ASP 402 N 0.76 0.66 -0.20 1.04 3.32 -0.07 0.17 116.42 122.11 1pk8 h ASP 402 Ca 0.11 -0.22 0.02 0.00 0.02 0.00 0.00 57.03 56.96 1pk8 h ASP 402 Cb 0.70 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.06 1pk8 h ASP 402 CO 0.05 0.71 0.06 0.11 -1.72 0.00 0.00 179.24 178.46 1pk8 h LYS 403 N 0.58 0.15 -0.96 3.56 1.57 -0.82 0.87 116.57 121.51 1pk8 h LYS 403 Ca 0.14 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.92 1pk8 h LYS 403 Cb 0.30 -0.03 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1pk8 h LYS 403 CO -0.00 0.10 0.62 1.96 -0.57 0.00 0.00 179.45 181.56 1pk8 h GLN 404 N 0.15 1.27 -0.45 3.15 4.20 -1.14 0.12 115.11 122.41 1pk8 h GLN 404 Ca 0.09 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.71 1pk8 h GLN 404 Cb 0.06 -0.28 -0.02 0.00 0.30 0.00 0.00 27.48 27.54 1pk8 h GLN 404 CO -0.09 0.86 0.29 -0.07 -0.67 0.00 0.00 178.83 179.15 1pk8 h LEU 405 N 1.31 0.52 -0.80 1.46 3.38 -0.09 0.62 115.31 121.70 1pk8 h LEU 405 Ca 0.35 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.28 1pk8 h LEU 405 Cb -0.13 -0.13 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1pk8 h LEU 405 CO -0.07 0.39 0.45 0.40 0.09 0.00 0.00 178.44 179.70 1pk8 h ILE 406 N 0.61 1.24 0.37 1.22 2.04 0.02 0.75 117.51 123.75 1pk8 h ILE 406 Ca 0.16 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 1pk8 h ILE 406 Cb -0.06 0.15 -0.03 0.00 -0.74 0.00 0.00 36.82 36.15 1pk8 h ILE 406 CO -0.03 0.26 -0.43 0.58 0.00 0.00 0.00 178.15 178.53 1pk8 h VAL 407 N 1.11 0.15 -0.65 1.67 2.07 0.04 0.39 116.25 121.03 1pk8 h VAL 407 Ca 0.28 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.94 1pk8 h VAL 407 Cb 0.02 0.15 -0.12 0.00 -1.52 0.00 0.00 31.29 29.82 1pk8 h VAL 407 CO -0.05 0.00 -0.08 -0.33 0.02 0.00 0.00 177.57 177.13 1pk8 h GLU 408 N -0.83 0.05 0.24 1.57 5.08 -0.50 0.15 114.58 120.34 1pk8 h GLU 408 Ca -0.03 -0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1pk8 h GLU 408 Cb 0.75 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.98 1pk8 h GLU 408 CO -0.10 0.03 -0.18 1.25 -1.00 0.00 0.00 179.01 179.01 1pk8 h LEU 409 N 0.05 -0.48 -0.18 1.33 5.85 0.01 -2.12 115.31 119.77 1pk8 h LEU 409 Ca 0.33 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.09 1pk8 h LEU 409 Cb 0.53 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.70 1pk8 h LEU 409 CO -0.61 -0.28 0.11 0.58 -0.34 0.00 0.00 178.44 177.89 1pk8 h VAL 410 N -0.43 1.03 -0.69 1.05 2.07 0.58 -1.51 116.25 118.35 1pk8 h VAL 410 Ca -0.01 -0.08 0.15 0.00 0.82 0.00 0.00 66.70 67.58 1pk8 h VAL 410 Cb 0.38 0.79 -0.11 0.00 -1.52 0.00 0.00 31.29 30.82 1pk8 h VAL 410 CO -0.01 0.04 0.06 0.58 0.02 0.00 0.00 177.57 178.26 1pk8 h VAL 411 N 0.23 0.46 -0.51 2.57 2.07 -0.63 0.23 116.25 120.68 1pk8 h VAL 411 Ca 0.07 -0.06 -0.07 0.00 0.82 0.00 0.00 66.70 67.46 1pk8 h VAL 411 Cb -0.02 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.02 1pk8 h VAL 411 CO -0.02 0.03 0.05 0.78 0.02 0.00 0.00 177.57 178.42 1pk8 h ASN 412 N 0.16 0.83 -0.64 0.57 2.35 -0.97 0.16 115.58 118.04 1pk8 h ASN 412 Ca 0.37 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1pk8 h ASN 412 Cb 0.63 -0.22 -0.03 0.00 0.05 0.00 0.00 38.32 38.75 1pk8 h ASN 412 CO -0.55 0.90 0.38 0.11 -1.65 0.00 0.00 177.43 176.62 1pk8 h LYS 413 N 0.73 0.87 -0.11 0.81 1.79 -0.09 -2.51 116.57 118.07 1pk8 h LYS 413 Ca 0.15 -0.08 -0.01 0.00 -2.18 0.00 0.00 60.65 58.53 1pk8 h LYS 413 Cb 0.45 -0.18 -0.00 0.00 -1.58 0.00 0.00 32.23 30.91 1pk8 h LYS 413 CO 0.02 0.63 0.03 0.52 -1.08 0.00 0.00 179.45 179.57 1pk8 h MET 414 N 0.87 0.17 -0.99 3.15 2.86 -0.43 -2.72 114.93 117.84 1pk8 h MET 414 Ca 0.23 -0.04 0.29 0.00 -2.06 0.00 0.00 59.70 58.12 1pk8 h MET 414 Cb -0.02 -0.02 -0.14 0.00 0.06 0.00 0.00 31.60 31.48 1pk8 h MET 414 CO -0.04 0.32 0.55 1.15 1.06 0.00 0.00 176.91 179.95 1pk8 h THR 415 N -0.01 0.38 -1.36 2.22 2.02 -0.67 -2.52 112.91 112.97 1pk8 h THR 415 Ca 0.04 -0.14 -0.71 0.00 0.77 0.00 0.00 66.41 66.36 1pk8 h THR 415 Cb 0.22 -0.06 -0.12 0.00 -1.74 0.00 0.00 68.15 66.45 1pk8 h THR 415 CO -0.00 0.07 1.93 0.00 0.37 0.00 0.00 175.52 177.90 1pk8 n GLN 416 N -5.01 3.28 0.00 6.66 6.02 -0.97 -5.02 117.38 122.34 1pk8 n GLN 416 Ca 0.29 -3.47 0.00 0.00 -0.01 0.00 0.00 57.00 53.81 1pk8 n GLN 416 Cb 0.88 -3.25 0.00 0.00 1.02 0.00 0.00 30.24 28.89 1pk8 n GLN 416 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05