#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pk8 s ALA 113 N 0.00 3.14 -0.26 0.00 0.00 -1.26 -4.72 121.76 118.66 1pk8 s ALA 113 Ca 0.00 1.34 -0.18 0.00 0.00 0.00 0.00 51.96 53.11 1pk8 s ALA 113 Cb 0.00 -3.54 -0.03 0.00 0.00 0.00 0.00 23.12 19.55 1pk8 s ALA 113 CO 0.00 -1.09 0.54 1.03 0.00 0.00 0.00 175.76 176.23 1pk8 s ARG 114 N -2.50 4.08 -0.20 0.00 1.81 -0.11 -4.88 118.95 117.15 1pk8 s ARG 114 Ca 0.62 0.36 -0.26 0.00 -1.72 0.00 0.00 55.73 54.74 1pk8 s ARG 114 Cb -0.40 -3.65 -0.01 0.00 -0.45 0.00 0.00 34.95 30.44 1pk8 s ARG 114 CO 0.51 -0.36 0.88 0.08 -0.68 0.00 0.00 175.30 175.73 1pk8 s VAL 115 N 2.34 4.82 -0.18 3.52 1.01 -1.26 -1.30 120.40 129.35 1pk8 s VAL 115 Ca 0.22 1.72 -0.01 0.00 0.00 0.00 0.00 61.98 63.91 1pk8 s VAL 115 Cb -0.16 -4.18 0.00 0.00 0.00 0.00 0.00 36.38 32.05 1pk8 s VAL 115 CO 0.09 -0.05 -0.13 -0.22 0.00 0.00 0.00 175.10 174.79 1pk8 s LEU 116 N 2.56 2.52 -0.23 3.92 2.96 -0.18 0.59 118.68 130.80 1pk8 s LEU 116 Ca 0.39 -0.48 -0.12 0.00 -0.22 0.00 0.00 54.13 53.70 1pk8 s LEU 116 Cb -0.16 -1.59 -0.05 0.00 0.50 0.00 0.00 46.19 44.89 1pk8 s LEU 116 CO 0.10 0.04 0.23 -0.22 -1.32 0.00 0.00 176.35 175.18 1pk8 s LEU 117 N 1.08 4.12 -0.25 -0.68 2.96 -0.17 -1.57 118.68 124.16 1pk8 s LEU 117 Ca -0.00 0.21 -0.04 0.00 -0.22 0.00 0.00 54.13 54.08 1pk8 s LEU 117 Cb -0.14 -2.22 0.00 0.00 0.50 0.00 0.00 46.19 44.33 1pk8 s LEU 117 CO -0.04 0.02 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.31 1pk8 s VAL 118 N 1.19 3.41 -0.51 1.68 1.01 0.08 -0.93 120.40 126.32 1pk8 s VAL 118 Ca 0.11 -0.68 -0.18 0.00 0.00 0.00 0.00 61.98 61.23 1pk8 s VAL 118 Cb -0.14 -2.66 0.08 0.00 0.00 0.00 0.00 36.38 33.66 1pk8 s VAL 118 CO 0.06 0.27 0.55 -0.63 0.00 0.00 0.00 175.10 175.35 1pk8 s ILE 119 N 1.45 5.02 0.04 2.22 1.01 -0.49 -1.87 121.20 128.57 1pk8 s ILE 119 Ca 0.03 -0.88 -0.27 0.00 0.00 0.00 0.00 60.65 59.53 1pk8 s ILE 119 Cb -0.16 -4.28 0.09 0.00 0.01 0.00 0.00 42.46 38.13 1pk8 s ILE 119 CO -0.02 -0.79 0.84 -0.62 0.00 0.00 0.00 174.94 174.35 1pk8 s ASP 120 N 2.92 -0.39 1.19 3.58 2.15 -0.41 -1.40 116.67 124.30 1pk8 s ASP 120 Ca 0.09 -0.03 -0.15 0.00 0.43 0.00 0.00 52.55 52.89 1pk8 s ASP 120 Cb -0.23 0.43 0.28 0.00 -0.30 0.00 0.00 42.92 43.11 1pk8 s ASP 120 CO 0.08 -0.71 1.03 -1.83 -0.17 0.00 0.00 175.17 173.57 1pk8 s GLU 121 N -3.25 -1.08 0.03 4.34 -1.05 -1.26 -3.81 118.70 112.62 1pk8 s GLU 121 Ca 0.05 0.51 0.27 0.00 -0.15 0.00 0.00 54.97 55.65 1pk8 s GLU 121 Cb -0.01 -1.56 1.12 0.00 -0.44 0.00 0.00 34.13 33.24 1pk8 s GLU 121 CO -0.09 -3.75 1.86 -0.35 0.95 0.00 0.00 175.26 173.89 1pk8 n PRO 122 N -4.89 0.04 -0.30 -4.83 -0.04 -1.26 -4.06 135.00 119.67 1pk8 n PRO 122 Ca 0.06 0.06 0.08 0.00 -0.04 0.00 0.00 63.50 63.66 1pk8 n PRO 122 Cb 0.57 -1.55 0.24 0.00 -0.04 0.00 0.00 33.50 32.72 1pk8 n PRO 122 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 1pk8 h HIS 123 N 0.00 0.74 -3.36 0.54 2.76 -2.05 -3.39 115.15 110.40 1pk8 h HIS 123 Ca 0.00 0.04 -0.61 0.00 -2.20 0.00 0.00 60.37 57.59 1pk8 h HIS 123 Cb 0.51 -0.20 -0.15 0.00 1.55 0.00 0.00 27.41 29.12 1pk8 h HIS 123 CO 0.00 0.14 -0.53 0.99 -1.30 0.00 0.00 177.93 177.23 1pk8 s THR 124 N -5.95 5.09 -0.72 6.26 2.01 -1.26 -5.05 115.64 116.02 1pk8 s THR 124 Ca -0.12 0.08 -0.19 0.00 0.31 0.00 0.00 61.69 61.77 1pk8 s THR 124 Cb 0.22 -3.32 0.12 0.00 0.01 0.00 0.00 72.50 69.53 1pk8 s THR 124 CO 0.78 0.43 0.88 -0.62 -0.69 0.00 0.00 174.62 175.39 1pk8 s ASP 125 N 0.56 6.36 0.22 3.53 2.15 -1.26 -4.89 116.67 123.34 1pk8 s ASP 125 Ca 0.06 -1.65 0.05 0.00 0.43 0.00 0.00 52.55 51.44 1pk8 s ASP 125 Cb -0.12 -2.34 0.20 0.00 -0.30 0.00 0.00 42.92 40.36 1pk8 s ASP 125 CO 0.00 -1.11 1.52 -0.50 -0.17 0.00 0.00 175.17 174.92 1pk8 h TRP 126 N 9.02 0.23 -0.84 -5.34 4.06 -1.95 -3.06 115.95 118.07 1pk8 h TRP 126 Ca -0.13 -0.10 0.09 0.00 2.06 0.00 0.00 58.89 60.81 1pk8 h TRP 126 Cb 1.06 -0.04 -0.07 0.00 -1.00 0.00 0.00 29.16 29.12 1pk8 h TRP 126 CO 0.97 0.80 0.49 0.00 -3.56 0.00 0.00 178.44 177.14 1pk8 h ALA 127 N 1.18 1.18 -0.07 1.49 0.00 -1.90 -1.65 119.26 119.50 1pk8 h ALA 127 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1pk8 h ALA 127 Cb 1.21 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.85 1pk8 h ALA 127 CO 0.10 0.14 0.00 1.17 0.00 0.00 0.00 179.25 180.66 1pk8 n LYS 128 N -4.71 0.00 -0.42 0.00 4.81 -1.16 -1.52 118.16 115.15 1pk8 n LYS 128 Ca 0.13 0.65 0.37 0.00 -0.87 0.00 0.00 58.31 58.59 1pk8 n LYS 128 Cb 0.26 -1.49 0.70 0.00 0.02 0.00 0.00 35.03 34.52 1pk8 n LYS 128 CO 0.00 0.00 0.00 1.88 1.17 0.00 0.00 177.40 180.45 1pk8 h TYR 129 N 0.00 0.23 -0.01 5.64 0.05 -1.50 0.49 116.97 121.87 1pk8 h TYR 129 Ca 0.00 0.01 0.00 0.00 0.05 0.00 0.00 58.73 58.79 1pk8 h TYR 129 Cb 0.00 -0.06 0.00 0.00 1.01 0.00 0.00 36.73 37.68 1pk8 h TYR 129 CO -0.13 -0.03 -0.25 1.19 -1.05 0.00 0.00 178.16 177.88 1pk8 n PHE 130 N -4.32 0.00 -1.65 4.88 3.72 -0.64 -4.86 117.46 114.58 1pk8 n PHE 130 Ca 0.32 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.29 1pk8 n PHE 130 Cb 1.37 -0.09 -0.03 0.00 -0.94 0.00 0.00 39.48 39.79 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 -0.45 2.70 0.00 -1.08 4.81 0.17 -1.51 118.16 122.80 1pk8 n LYS 131 Ca 0.13 0.97 0.00 0.00 -0.87 0.00 0.00 58.31 58.54 1pk8 n LYS 131 Cb 0.37 -3.00 0.00 0.00 0.02 0.00 0.00 35.03 32.41 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 4.69 3.09 3.74 3.14 0.00 -1.26 -5.04 105.19 113.55 1pk8 n GLY 132 Ca 0.22 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.82 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 -0.29 4.26 -0.02 1.61 -0.14 -0.57 -5.01 119.74 119.58 1pk8 s LYS 133 Ca 0.00 2.30 -0.01 0.00 -1.36 0.00 0.00 55.97 56.90 1pk8 s LYS 133 Cb 0.00 -3.12 0.01 0.00 -1.68 0.00 0.00 37.83 33.04 1pk8 s LYS 133 CO 0.00 -0.45 0.05 0.15 -0.76 0.00 0.00 175.35 174.34 1pk8 s LYS 134 N -0.06 0.04 -0.32 1.68 1.02 -1.26 -4.00 119.74 116.84 1pk8 s LYS 134 Ca 0.61 0.11 -0.29 0.00 0.02 0.00 0.00 55.97 56.43 1pk8 s LYS 134 Cb -0.42 -0.04 0.01 0.00 -0.52 0.00 0.00 37.83 36.86 1pk8 s LYS 134 CO 0.41 -0.05 1.27 0.42 -0.92 0.00 0.00 175.35 176.48 1pk8 s ILE 135 N 0.30 4.18 0.00 2.17 1.01 0.16 -3.39 121.20 125.64 1pk8 s ILE 135 Ca -0.02 1.32 0.00 0.00 0.00 0.00 0.00 60.65 61.95 1pk8 s ILE 135 Cb -0.03 -4.22 0.00 0.00 0.01 0.00 0.00 42.46 38.21 1pk8 s ILE 135 CO -0.01 -0.52 0.00 1.41 0.00 0.00 0.00 174.94 175.82 1pk8 n HIS 136 N 7.60 0.00 0.00 3.97 8.25 -1.26 -2.52 115.22 131.26 1pk8 n HIS 136 Ca 0.14 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.60 1pk8 n HIS 136 Cb 0.47 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.56 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 2.12 0.00 -1.41 0.00 -1.22 -4.87 105.19 97.81 1pk8 n GLY 137 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -0.41 4.12 -2.66 1.61 0.00 -1.25 -4.96 120.64 117.08 1pk8 n GLU 138 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 57.16 56.73 1pk8 n GLU 138 Cb 0.00 -0.60 -0.02 0.00 0.00 0.00 0.00 31.44 30.82 1pk8 n GLU 138 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 1pk8 s ILE 139 N -0.54 4.65 0.79 3.84 1.01 -1.05 -4.91 121.20 124.98 1pk8 s ILE 139 Ca 0.00 1.95 -0.12 0.00 0.00 0.00 0.00 60.65 62.48 1pk8 s ILE 139 Cb 0.00 -4.33 0.06 0.00 0.01 0.00 0.00 42.46 38.20 1pk8 s ILE 139 CO 0.00 -0.24 1.11 -1.81 0.00 0.00 0.00 174.94 174.00 1pk8 s ASP 140 N 1.30 4.67 -0.17 3.58 1.01 -1.26 0.39 116.67 126.19 1pk8 s ASP 140 Ca 0.44 1.14 0.00 0.00 0.71 0.00 0.00 52.55 54.84 1pk8 s ASP 140 Cb -0.14 -1.84 0.03 0.00 1.01 0.00 0.00 42.92 41.98 1pk8 s ASP 140 CO 0.08 -1.84 -0.10 -0.63 0.21 0.00 0.00 175.17 172.89 1pk8 s ILE 141 N -3.29 1.49 -0.18 0.77 1.01 -1.26 -0.93 121.20 118.81 1pk8 s ILE 141 Ca 0.60 -0.78 -0.13 0.00 0.00 0.00 0.00 60.65 60.35 1pk8 s ILE 141 Cb -0.13 -1.52 -0.05 0.00 0.01 0.00 0.00 42.46 40.77 1pk8 s ILE 141 CO 0.53 0.27 0.25 -0.75 0.00 0.00 0.00 174.94 175.23 1pk8 s LYS 142 N 1.49 4.23 -0.28 2.79 2.47 -0.42 -4.94 119.74 125.08 1pk8 s LYS 142 Ca 0.01 0.00 -0.08 0.00 -1.56 0.00 0.00 55.97 54.35 1pk8 s LYS 142 Cb -0.15 -3.43 -0.01 0.00 -1.46 0.00 0.00 37.83 32.78 1pk8 s LYS 142 CO -0.09 0.23 0.09 0.08 0.16 0.00 0.00 175.35 175.82 1pk8 s VAL 143 N 0.50 4.21 -0.16 4.02 1.01 -1.26 -1.01 120.40 127.71 1pk8 s VAL 143 Ca 0.14 -0.44 -0.06 0.00 0.00 0.00 0.00 61.98 61.62 1pk8 s VAL 143 Cb -0.13 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1pk8 s VAL 143 CO 0.02 0.18 0.03 -1.61 0.00 0.00 0.00 175.10 173.73 1pk8 s GLU 144 N 1.56 3.71 0.08 2.72 0.41 -0.61 -4.82 118.70 121.76 1pk8 s GLU 144 Ca 0.04 -0.38 0.07 0.00 -0.41 0.00 0.00 54.97 54.29 1pk8 s GLU 144 Cb -0.16 -3.07 -0.03 0.00 -1.78 0.00 0.00 34.13 29.08 1pk8 s GLU 144 CO 0.03 0.37 -0.18 -1.14 -0.49 0.00 0.00 175.26 173.85 1pk8 s GLN 145 N 0.07 1.03 -0.19 1.61 0.74 -1.26 -0.74 119.66 120.92 1pk8 s GLN 145 Ca 0.04 -1.04 -0.36 0.00 0.05 0.00 0.00 55.36 54.05 1pk8 s GLN 145 Cb -0.13 -1.19 0.15 0.00 1.10 0.00 0.00 33.01 32.95 1pk8 s GLN 145 CO 0.01 0.28 1.37 0.00 -0.55 0.00 0.00 175.29 176.40 1pk8 s ALA 146 N -1.14 -2.28 0.34 1.58 0.00 -0.78 -4.96 121.76 114.51 1pk8 s ALA 146 Ca 0.03 1.46 0.02 0.00 0.00 0.00 0.00 51.96 53.48 1pk8 s ALA 146 Cb -0.10 -0.10 -0.03 0.00 0.00 0.00 0.00 23.12 22.90 1pk8 s ALA 146 CO 0.03 -0.76 0.52 -1.21 0.00 0.00 0.00 175.76 174.34 1pk8 s GLU 147 N -2.13 3.39 0.34 0.00 2.02 -1.25 -1.29 118.70 119.78 1pk8 s GLU 147 Ca 0.13 -0.51 0.07 0.00 0.02 0.00 0.00 54.97 54.68 1pk8 s GLU 147 Cb 0.02 -2.71 0.75 0.00 0.10 0.00 0.00 34.13 32.29 1pk8 s GLU 147 CO -0.04 0.14 1.87 0.74 0.02 0.00 0.00 175.26 178.00 1pk8 h PHE 148 N 0.81 0.88 0.00 1.61 0.04 -1.92 -1.81 116.94 116.54 1pk8 h PHE 148 Ca -0.49 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.30 1pk8 h PHE 148 Cb 1.23 -0.28 0.00 0.00 2.20 0.00 0.00 35.95 39.10 1pk8 h PHE 148 CO 0.48 0.35 0.00 -1.13 -0.60 0.00 0.00 178.31 177.41 1pk8 n SER 149 N -4.56 0.69 -1.20 2.17 3.41 -1.26 -2.17 113.62 110.71 1pk8 n SER 149 Ca 0.17 0.69 0.09 0.00 -0.26 0.00 0.00 58.87 59.56 1pk8 n SER 149 Cb 0.42 -0.83 0.28 0.00 -0.26 0.00 0.00 64.21 63.82 1pk8 n SER 149 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1pk8 n ASP 150 N -2.29 3.94 -4.42 4.04 8.00 -0.68 -4.99 116.55 120.15 1pk8 n ASP 150 Ca 0.02 -2.23 -0.26 0.00 0.71 0.00 0.00 54.79 53.03 1pk8 n ASP 150 Cb 0.21 -0.45 -0.11 0.00 -0.02 0.00 0.00 41.12 40.74 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 -1.42 2.47 0.18 0.64 1.43 -0.92 0.50 118.68 121.55 1pk8 s LEU 151 Ca 0.42 -0.90 -0.23 0.00 -1.03 0.00 0.00 54.13 52.39 1pk8 s LEU 151 Cb 0.25 -1.11 0.06 0.00 0.03 0.00 0.00 46.19 45.42 1pk8 s LEU 151 CO 0.24 0.08 0.64 0.21 0.23 0.00 0.00 176.35 177.75 1pk8 s ASN 152 N -2.85 -0.49 0.35 2.29 3.84 -0.97 -5.02 114.94 112.09 1pk8 s ASN 152 Ca 0.22 -0.13 -0.11 0.00 0.21 0.00 0.00 52.86 53.05 1pk8 s ASN 152 Cb -0.07 0.62 0.03 0.00 -0.55 0.00 0.00 41.25 41.28 1pk8 s ASN 152 CO 0.10 -1.03 0.64 -1.48 -2.79 0.00 0.00 177.10 172.54 1pk8 s LEU 153 N -2.78 0.40 -0.10 3.21 0.05 -1.26 -0.38 118.68 117.83 1pk8 s LEU 153 Ca 0.03 -1.23 -0.06 0.00 0.05 0.00 0.00 54.13 52.92 1pk8 s LEU 153 Cb -0.02 2.23 0.04 0.00 -2.05 0.00 0.00 46.19 46.39 1pk8 s LEU 153 CO -0.09 -1.48 0.24 0.54 -0.55 0.00 0.00 176.35 175.02 1pk8 s VAL 154 N -2.81 -0.03 0.04 1.48 0.11 -0.44 -4.97 120.40 113.78 1pk8 s VAL 154 Ca 0.21 0.12 0.06 0.00 -2.93 0.00 0.00 61.98 59.44 1pk8 s VAL 154 Cb -0.03 -0.37 -0.02 0.00 -1.53 0.00 0.00 36.38 34.43 1pk8 s VAL 154 CO 0.14 0.05 -0.16 0.00 -3.33 0.00 0.00 175.10 171.80 1pk8 s ALA 155 N 1.01 1.36 0.06 1.54 0.00 -1.26 -1.22 121.76 123.25 1pk8 s ALA 155 Ca -0.07 -0.89 0.09 0.00 0.00 0.00 0.00 51.96 51.08 1pk8 s ALA 155 Cb -0.08 -0.24 -0.03 0.00 0.00 0.00 0.00 23.12 22.77 1pk8 s ALA 155 CO -0.07 0.28 -0.24 -1.01 0.00 0.00 0.00 175.76 174.73 1pk8 s HIS 156 N -0.81 2.08 0.34 0.00 3.76 0.14 -4.97 115.29 115.82 1pk8 s HIS 156 Ca 0.04 -0.39 0.03 0.00 -0.15 0.00 0.00 55.06 54.59 1pk8 s HIS 156 Cb -0.08 -1.22 0.64 0.00 1.11 0.00 0.00 32.58 33.04 1pk8 s HIS 156 CO 0.01 0.14 1.95 0.00 -0.85 0.00 0.00 174.74 176.00 1pk8 h ALA 157 N 4.65 1.61 0.00 -1.40 0.00 -1.88 -1.59 119.26 120.65 1pk8 h ALA 157 Ca -0.45 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1pk8 h ALA 157 Cb 1.16 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1pk8 h ALA 157 CO 0.43 0.29 0.00 0.27 0.00 0.00 0.00 179.25 180.24 1pk8 n ASN 158 N -4.47 0.00 0.00 0.00 0.23 -1.26 -4.78 115.26 104.98 1pk8 n ASN 158 Ca 0.11 -0.09 0.00 0.00 -0.53 0.00 0.00 54.58 54.07 1pk8 n ASN 158 Cb 0.18 -0.07 0.00 0.00 -2.08 0.00 0.00 39.78 37.82 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 -0.67 3.23 3.77 4.83 0.00 -0.60 -5.06 105.19 110.69 1pk8 n GLY 159 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.85 2.91 0.10 -0.02 0.00 -1.25 -4.81 107.32 101.39 1pk8 s GLY 160 Ca 0.00 1.10 -0.27 0.00 0.00 0.00 0.00 44.72 45.55 1pk8 s GLY 160 CO 0.00 1.66 1.02 -0.11 0.00 0.00 0.00 173.10 175.67 1pk8 s PHE 161 N -1.32 -0.13 -0.25 1.90 -0.71 -1.26 0.26 117.98 116.47 1pk8 s PHE 161 Ca 0.56 -0.11 -0.20 0.00 -1.04 0.00 0.00 56.93 56.15 1pk8 s PHE 161 Cb -0.35 0.61 0.07 0.00 -1.21 0.00 0.00 43.02 42.14 1pk8 s PHE 161 CO 0.44 -0.68 0.65 0.45 -1.34 0.00 0.00 175.22 174.74 1pk8 s SER 162 N -2.89 -0.77 -0.22 1.98 0.15 -0.36 -4.90 113.70 106.69 1pk8 s SER 162 Ca 0.12 1.37 -0.04 0.00 0.70 0.00 0.00 55.95 58.09 1pk8 s SER 162 Cb -0.00 1.32 -0.01 0.00 -1.71 0.00 0.00 66.02 65.62 1pk8 s SER 162 CO -0.00 -0.23 -0.03 -0.69 1.20 0.00 0.00 173.24 173.48 1pk8 s VAL 163 N 0.88 3.48 -0.12 4.45 1.01 0.03 -1.32 120.40 128.80 1pk8 s VAL 163 Ca -0.04 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 1pk8 s VAL 163 Cb -0.05 -2.58 -0.05 0.00 0.00 0.00 0.00 36.38 33.70 1pk8 s VAL 163 CO -0.07 0.42 0.24 -1.81 0.00 0.00 0.00 175.10 173.87 1pk8 s ASP 164 N 1.41 6.46 -0.07 3.32 1.01 0.49 0.20 116.67 129.49 1pk8 s ASP 164 Ca 0.05 0.54 0.05 0.00 0.71 0.00 0.00 52.55 53.90 1pk8 s ASP 164 Cb -0.14 -2.14 -0.01 0.00 1.01 0.00 0.00 42.92 41.64 1pk8 s ASP 164 CO -0.02 0.26 -0.24 -0.32 0.21 0.00 0.00 175.17 175.06 1pk8 s MET 165 N -0.36 2.60 0.00 8.23 1.75 0.35 -2.28 119.30 129.58 1pk8 s MET 165 Ca 0.16 -0.87 0.00 0.00 -1.25 0.00 0.00 55.69 53.73 1pk8 s MET 165 Cb -0.13 -2.14 0.00 0.00 2.84 0.00 0.00 34.83 35.40 1pk8 s MET 165 CO 0.05 0.32 0.00 -0.85 -0.65 0.00 0.00 175.02 173.89 1pk8 n GLU 166 N 3.11 0.00 -3.51 4.11 0.28 0.18 -1.57 120.64 123.24 1pk8 n GLU 166 Ca -0.18 0.00 -0.26 0.00 -0.16 0.00 0.00 57.16 56.56 1pk8 n GLU 166 Cb 0.52 0.00 -0.14 0.00 1.43 0.00 0.00 31.44 33.26 1pk8 n GLU 166 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1pk8 s VAL 175 N 0.00 -0.14 -0.01 3.84 1.01 -1.26 -5.01 120.40 118.84 1pk8 s VAL 175 Ca 0.00 -0.73 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1pk8 s VAL 175 Cb 0.00 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 1pk8 s VAL 175 CO 0.00 -0.68 -0.03 0.00 0.00 0.00 0.00 175.10 174.39 1pk8 s ARG 176 N 2.13 2.70 0.07 2.72 1.70 -0.61 -5.11 118.95 122.55 1pk8 s ARG 176 Ca 0.09 -0.64 0.04 0.00 -0.47 0.00 0.00 55.73 54.75 1pk8 s ARG 176 Cb -0.16 -2.61 -0.04 0.00 -0.57 0.00 0.00 34.95 31.58 1pk8 s ARG 176 CO -0.35 0.62 -0.02 -1.54 -1.08 0.00 0.00 175.30 172.93 1pk8 s SER 177 N -1.45 4.93 0.24 -2.89 1.04 -1.26 0.13 113.70 114.44 1pk8 s SER 177 Ca 0.18 -0.17 -0.03 0.00 0.48 0.00 0.00 55.95 56.41 1pk8 s SER 177 Cb -0.11 -1.17 -0.03 0.00 0.10 0.00 0.00 66.02 64.81 1pk8 s SER 177 CO 0.09 0.20 0.26 -1.48 0.98 0.00 0.00 173.24 173.29 1pk8 s LEU 178 N -2.07 1.00 -0.49 2.42 2.34 0.13 -4.95 118.68 117.06 1pk8 s LEU 178 Ca 0.23 -1.33 0.03 0.00 0.06 0.00 0.00 54.13 53.13 1pk8 s LEU 178 Cb -0.12 0.83 0.15 0.00 -0.56 0.00 0.00 46.19 46.50 1pk8 s LEU 178 CO 0.15 -0.98 0.32 -0.54 -1.06 0.00 0.00 176.35 174.24 1pk8 s LYS 179 N -3.94 1.42 0.39 1.48 1.02 -1.26 -0.79 119.74 118.05 1pk8 s LYS 179 Ca 0.34 -2.30 -0.27 0.00 0.02 0.00 0.00 55.97 53.76 1pk8 s LYS 179 Cb 0.04 -2.29 -0.10 0.00 -0.52 0.00 0.00 37.83 34.96 1pk8 s LYS 179 CO 0.14 -1.25 1.42 -2.14 -0.92 0.00 0.00 175.35 172.60 1pk8 s PRO 180 N -0.09 4.03 0.01 -1.68 0.02 -1.26 -4.75 135.00 131.27 1pk8 s PRO 180 Ca 0.23 2.42 0.23 0.00 0.02 0.00 0.00 61.00 63.90 1pk8 s PRO 180 Cb -0.12 -2.88 0.03 0.00 0.02 0.00 0.00 34.50 31.54 1pk8 s PRO 180 CO -0.09 -0.54 1.06 -0.25 -0.33 0.00 0.00 177.00 176.85 1pk8 n ASP 181 N 0.31 0.75 -3.52 2.53 8.00 0.20 -4.95 116.55 119.88 1pk8 n ASP 181 Ca 0.02 -0.62 -0.15 0.00 0.71 0.00 0.00 54.79 54.76 1pk8 n ASP 181 Cb 0.41 0.78 -0.05 0.00 -0.02 0.00 0.00 41.12 42.24 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 -3.05 -0.57 0.03 1.24 2.19 -1.08 -4.25 117.98 112.50 1pk8 s PHE 182 Ca 0.08 0.87 0.05 0.00 0.33 0.00 0.00 56.93 58.25 1pk8 s PHE 182 Cb 0.16 0.45 -0.02 0.00 -1.31 0.00 0.00 43.02 42.30 1pk8 s PHE 182 CO 0.81 -0.58 -0.14 0.08 1.83 0.00 0.00 175.22 177.22 1pk8 s VAL 183 N -1.63 1.09 -0.21 3.12 1.01 -0.33 -1.00 120.40 122.44 1pk8 s VAL 183 Ca -0.07 -0.93 0.01 0.00 0.00 0.00 0.00 61.98 61.00 1pk8 s VAL 183 Cb -0.00 -0.98 0.04 0.00 0.00 0.00 0.00 36.38 35.45 1pk8 s VAL 183 CO 0.04 0.05 -0.12 -0.22 0.00 0.00 0.00 175.10 174.85 1pk8 s LEU 184 N -1.01 2.58 -0.41 3.92 2.96 -0.11 -1.26 118.68 125.35 1pk8 s LEU 184 Ca 0.02 -0.99 -0.12 0.00 -0.22 0.00 0.00 54.13 52.82 1pk8 s LEU 184 Cb -0.07 -1.36 0.05 0.00 0.50 0.00 0.00 46.19 45.30 1pk8 s LEU 184 CO 0.01 -0.14 0.26 -0.63 -1.32 0.00 0.00 176.35 174.54 1pk8 s ILE 185 N 1.30 4.70 -1.23 6.68 1.01 -0.34 -1.40 121.20 131.92 1pk8 s ILE 185 Ca -0.02 -1.00 0.17 0.00 0.00 0.00 0.00 60.65 59.80 1pk8 s ILE 185 Cb -0.17 -3.71 -0.10 0.00 0.01 0.00 0.00 42.46 38.49 1pk8 s ILE 185 CO -0.08 -0.37 0.82 0.54 0.00 0.00 0.00 174.94 175.85 1pk8 n ARG 186 N 5.04 1.46 -4.08 2.79 5.12 -0.49 -3.93 116.66 122.55 1pk8 n ARG 186 Ca -0.11 -0.43 -0.32 0.00 -1.93 0.00 0.00 57.85 55.06 1pk8 n ARG 186 Cb 0.45 -1.32 -0.07 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 -2.34 2.95 0.18 5.56 0.74 -1.10 -4.35 119.66 121.30 1pk8 s GLN 187 Ca 0.11 -0.60 -0.32 0.00 0.05 0.00 0.00 55.36 54.60 1pk8 s GLN 187 Cb 0.14 -2.78 -0.10 0.00 1.10 0.00 0.00 33.01 31.36 1pk8 s GLN 187 CO 0.58 0.60 1.60 -1.01 -0.55 0.00 0.00 175.29 176.51 1pk8 s HIS 188 N -1.30 3.03 -0.33 1.67 3.76 -1.26 -4.82 115.29 116.04 1pk8 s HIS 188 Ca 0.26 0.56 0.20 0.00 -0.15 0.00 0.00 55.06 55.94 1pk8 s HIS 188 Cb -0.12 -3.98 0.22 0.00 1.11 0.00 0.00 32.58 29.81 1pk8 s HIS 188 CO 0.18 -3.63 1.49 0.00 -0.85 0.00 0.00 174.74 171.93 1pk8 h ALA 189 N 6.79 0.86 -2.86 -1.40 0.00 -1.92 -3.47 119.26 117.25 1pk8 h ALA 189 Ca -0.43 -0.16 -0.15 0.00 0.00 0.00 0.00 54.91 54.17 1pk8 h ALA 189 Cb 1.20 -0.01 -0.22 0.00 0.00 0.00 0.00 17.79 18.76 1pk8 h ALA 189 CO 0.92 0.21 -0.50 0.12 0.00 0.00 0.00 179.25 180.00 1pk8 s PHE 190 N -3.14 0.01 -0.18 0.00 5.36 -1.25 -0.87 117.98 117.91 1pk8 s PHE 190 Ca 0.05 -0.04 -0.27 0.00 -0.96 0.00 0.00 56.93 55.71 1pk8 s PHE 190 Cb 0.06 -0.03 0.07 0.00 -0.34 0.00 0.00 43.02 42.78 1pk8 s PHE 190 CO 0.71 -0.25 0.70 0.45 -1.46 0.00 0.00 175.22 175.37 1pk8 s SER 191 N -1.12 -0.71 -0.03 6.13 0.15 -0.77 -4.83 113.70 112.52 1pk8 s SER 191 Ca -0.12 1.15 0.06 0.00 0.70 0.00 0.00 55.95 57.73 1pk8 s SER 191 Cb -0.06 1.09 0.23 0.00 -1.71 0.00 0.00 66.02 65.56 1pk8 s SER 191 CO 0.01 -0.39 1.04 0.23 1.20 0.00 0.00 173.24 175.33 1pk8 n MET 192 N 1.98 1.84 -3.16 5.44 0.00 -0.04 -4.07 117.12 119.11 1pk8 n MET 192 Ca -0.16 -0.90 -0.28 0.00 0.00 0.00 0.00 57.70 56.36 1pk8 n MET 192 Cb 0.56 -1.43 -0.02 0.00 0.00 0.00 0.00 33.22 32.32 1pk8 n MET 192 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1pk8 s ALA 193 N -1.63 3.56 0.16 3.04 0.00 -1.26 -5.00 121.76 120.63 1pk8 s ALA 193 Ca 0.16 -0.54 -0.33 0.00 0.00 0.00 0.00 51.96 51.25 1pk8 s ALA 193 Cb 0.10 -2.38 -0.16 0.00 0.00 0.00 0.00 23.12 20.68 1pk8 s ALA 193 CO 0.08 0.08 1.23 0.54 0.00 0.00 0.00 175.76 177.69 1pk8 n ARG 194 N -1.30 1.28 -2.07 0.00 1.74 -1.26 -2.09 116.66 112.95 1pk8 n ARG 194 Ca -0.01 0.46 -0.18 0.00 -0.77 0.00 0.00 57.85 57.34 1pk8 n ARG 194 Cb 0.54 -2.01 -0.03 0.00 -1.02 0.00 0.00 32.46 29.95 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 2.17 -5.27 -0.65 0.55 5.03 -1.26 -4.89 115.26 110.94 1pk8 n ASN 195 Ca 0.15 0.14 0.06 0.00 0.87 0.00 0.00 54.58 55.80 1pk8 n ASN 195 Cb 0.24 -4.35 0.16 0.00 -1.02 0.00 0.00 39.78 34.81 1pk8 n ASN 195 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1pk8 n GLY 196 N -0.92 2.74 3.37 7.41 0.00 -0.89 -4.90 105.19 112.00 1pk8 n GLY 196 Ca -0.21 -0.38 -0.45 0.00 0.00 0.00 0.00 46.02 44.98 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 -1.00 6.31 -0.14 1.61 -1.08 -1.26 -1.85 116.67 119.26 1pk8 s ASP 197 Ca 0.24 -1.68 0.16 0.00 -0.52 0.00 0.00 52.55 50.74 1pk8 s ASP 197 Cb 0.12 -2.30 0.44 0.00 -1.46 0.00 0.00 42.92 39.73 1pk8 s ASP 197 CO 0.16 -1.03 1.34 -1.22 0.52 0.00 0.00 175.17 174.94 1pk8 n TYR 198 N 6.02 0.70 -0.09 -5.34 4.01 -0.05 -4.68 117.16 117.73 1pk8 n TYR 198 Ca -0.03 -0.83 0.06 0.00 -0.16 0.00 0.00 57.90 56.94 1pk8 n TYR 198 Cb 0.44 -0.24 0.40 0.00 -0.31 0.00 0.00 39.34 39.63 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 1.50 0.61 0.00 -0.72 3.08 -1.87 -1.19 114.38 115.79 1pk8 h ARG 199 Ca 0.00 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.97 1pk8 h ARG 199 Cb 1.24 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1pk8 h ARG 199 CO 0.15 0.40 -0.21 0.66 -1.07 0.00 0.00 179.97 179.90 1pk8 h SER 200 N 0.62 0.00 0.66 7.04 4.64 -1.93 -0.88 113.55 123.71 1pk8 h SER 200 Ca 0.23 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.36 1pk8 h SER 200 Cb 0.14 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.21 1pk8 h SER 200 CO -0.06 0.21 -0.85 -0.07 -0.87 0.00 0.00 176.83 175.19 1pk8 h LEU 201 N 0.00 0.17 -0.32 5.97 3.38 -1.58 -1.06 115.31 121.87 1pk8 h LEU 201 Ca -0.00 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 1pk8 h LEU 201 Cb 0.44 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.13 1pk8 h LEU 201 CO 0.03 0.94 -0.30 0.58 0.09 0.00 0.00 178.44 179.77 1pk8 h VAL 202 N 0.07 1.29 -0.19 1.22 2.07 -1.07 -0.05 116.25 119.60 1pk8 h VAL 202 Ca -0.03 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.02 1pk8 h VAL 202 Cb 1.47 1.52 -0.01 0.00 -1.52 0.00 0.00 31.29 32.75 1pk8 h VAL 202 CO 0.12 0.48 0.10 0.40 0.02 0.00 0.00 177.57 178.69 1pk8 h ILE 203 N 0.52 1.10 -1.00 4.57 2.04 -1.16 -2.12 117.51 121.46 1pk8 h ILE 203 Ca 0.05 -0.27 0.03 0.00 1.00 0.00 0.00 64.86 65.68 1pk8 h ILE 203 Cb 0.87 0.94 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 1pk8 h ILE 203 CO 0.08 0.10 0.66 1.23 0.00 0.00 0.00 178.15 180.21 1pk8 h GLY 204 N 0.20 1.46 1.58 5.37 0.00 -1.02 0.29 103.07 110.95 1pk8 h GLY 204 Ca 0.07 -0.51 -0.07 0.00 0.00 0.00 0.00 47.33 46.82 1pk8 h GLY 204 CO -0.01 0.44 -0.11 1.41 0.00 0.00 0.00 176.54 178.27 1pk8 h LEU 205 N 1.29 0.49 -0.18 3.11 3.38 -0.74 -1.81 115.31 120.85 1pk8 h LEU 205 Ca 0.39 -0.12 -0.19 0.00 0.09 0.00 0.00 57.88 58.05 1pk8 h LEU 205 Cb -0.03 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.60 1pk8 h LEU 205 CO -0.12 0.64 -0.62 -0.61 0.09 0.00 0.00 178.44 177.82 1pk8 h GLN 206 N 0.47 0.74 -0.48 1.13 5.75 -0.62 -2.05 115.11 120.06 1pk8 h GLN 206 Ca 0.09 -0.56 0.08 0.00 -0.15 0.00 0.00 58.65 58.11 1pk8 h GLN 206 Cb 0.48 0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.10 1pk8 h GLN 206 CO 0.03 1.17 0.32 -0.92 -2.65 0.00 0.00 178.83 176.79 1pk8 h TYR 207 N 0.46 0.34 -0.01 3.99 5.03 -0.12 0.28 116.97 126.94 1pk8 h TYR 207 Ca -0.03 0.01 0.00 0.00 2.58 0.00 0.00 58.73 61.29 1pk8 h TYR 207 Cb 1.25 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 39.42 1pk8 h TYR 207 CO 0.09 0.18 -0.17 0.00 -1.32 0.00 0.00 178.16 176.93 1pk8 n ALA 208 N -2.53 2.90 -2.05 1.82 0.00 -0.71 -4.80 120.51 115.15 1pk8 n ALA 208 Ca 0.07 -0.35 -0.12 0.00 0.00 0.00 0.00 53.44 53.04 1pk8 n ALA 208 Cb 0.31 -1.22 -0.02 0.00 0.00 0.00 0.00 19.45 18.52 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 1.30 0.18 3.69 0.00 0.00 0.98 -4.98 105.19 106.35 1pk8 n GLY 209 Ca 0.14 -0.39 -0.42 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.58 4.80 0.55 -0.61 1.01 -0.80 -5.02 121.20 118.54 1pk8 s ILE 210 Ca 0.00 2.03 -0.20 0.00 0.00 0.00 0.00 60.65 62.49 1pk8 s ILE 210 Cb 0.00 -4.31 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 1pk8 s ILE 210 CO 0.00 0.03 1.16 -2.84 0.00 0.00 0.00 174.94 173.29 1pk8 s PRO 211 N 1.86 3.30 0.19 2.79 0.02 -1.26 -4.74 135.00 137.17 1pk8 s PRO 211 Ca 0.49 1.70 -0.09 0.00 0.02 0.00 0.00 61.00 63.11 1pk8 s PRO 211 Cb -0.19 -2.04 -0.01 0.00 0.02 0.00 0.00 34.50 32.29 1pk8 s PRO 211 CO 0.19 -0.91 0.32 0.45 -0.33 0.00 0.00 177.00 176.73 1pk8 s SER 212 N -1.66 0.01 -0.13 2.53 0.15 -1.26 -1.19 113.70 112.15 1pk8 s SER 212 Ca 0.73 -0.95 -0.03 0.00 0.70 0.00 0.00 55.95 56.40 1pk8 s SER 212 Cb -0.26 0.47 0.05 0.00 -1.71 0.00 0.00 66.02 64.57 1pk8 s SER 212 CO 0.30 -0.96 0.05 -0.69 1.20 0.00 0.00 173.24 173.14 1pk8 s VAL 213 N -4.01 0.17 1.16 4.45 1.01 -0.39 -3.33 120.40 119.46 1pk8 s VAL 213 Ca 0.22 -0.08 -0.19 0.00 0.00 0.00 0.00 61.98 61.93 1pk8 s VAL 213 Cb 0.03 -0.60 0.27 0.00 0.00 0.00 0.00 36.38 36.08 1pk8 s VAL 213 CO 0.04 -0.05 1.14 0.20 0.00 0.00 0.00 175.10 176.44 1pk8 s ASN 214 N 2.04 1.31 0.43 3.32 0.01 -1.26 -1.20 114.94 119.58 1pk8 s ASN 214 Ca 0.03 0.58 -0.26 0.00 -0.71 0.00 0.00 52.86 52.50 1pk8 s ASN 214 Cb -0.15 -0.81 -0.09 0.00 0.41 0.00 0.00 41.25 40.61 1pk8 s ASN 214 CO -0.07 -3.88 1.34 -1.54 -1.51 0.00 0.00 177.10 171.44 1pk8 n SER 215 N -4.59 2.89 -0.27 -1.22 3.41 -1.21 -4.77 113.62 107.86 1pk8 n SER 215 Ca 0.13 1.12 0.02 0.00 -0.26 0.00 0.00 58.87 59.88 1pk8 n SER 215 Cb 0.59 -1.54 0.24 0.00 -0.26 0.00 0.00 64.21 63.24 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 2.21 0.90 -0.54 1.04 3.38 -1.91 0.16 115.31 120.56 1pk8 h LEU 216 Ca -0.49 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 57.53 1pk8 h LEU 216 Cb 1.28 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 1pk8 h LEU 216 CO 0.61 0.62 0.24 -0.74 0.09 0.00 0.00 178.44 179.26 1pk8 h HIS 217 N 1.05 0.44 -0.42 1.13 2.76 -1.93 0.21 115.15 118.38 1pk8 h HIS 217 Ca 0.33 0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 58.38 1pk8 h HIS 217 Cb 0.02 -0.12 -0.01 0.00 1.55 0.00 0.00 27.41 28.86 1pk8 h HIS 217 CO -0.00 0.18 -0.32 0.66 -1.30 0.00 0.00 177.93 177.16 1pk8 h SER 218 N 0.46 0.99 -0.75 3.26 4.64 -1.35 -2.05 113.55 118.76 1pk8 h SER 218 Ca 0.25 -0.42 0.00 0.00 -0.47 0.00 0.00 61.79 61.15 1pk8 h SER 218 Cb 0.21 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 61.99 1pk8 h SER 218 CO -0.21 1.22 0.47 0.58 -0.87 0.00 0.00 176.83 178.02 1pk8 h VAL 219 N 0.79 1.20 -0.20 0.95 2.07 0.04 -1.01 116.25 120.09 1pk8 h VAL 219 Ca 0.08 -0.42 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 1pk8 h VAL 219 Cb 0.90 0.14 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 1pk8 h VAL 219 CO 0.08 0.21 0.04 0.22 0.02 0.00 0.00 177.57 178.14 1pk8 h TYR 220 N 1.02 0.35 0.00 1.57 5.03 -0.50 -2.60 116.97 121.84 1pk8 h TYR 220 Ca 0.27 -0.05 0.00 0.00 2.58 0.00 0.00 58.73 61.53 1pk8 h TYR 220 Cb -0.07 -0.10 0.00 0.00 1.55 0.00 0.00 36.73 38.12 1pk8 h TYR 220 CO -0.01 0.47 0.00 0.09 -1.32 0.00 0.00 178.16 177.38 1pk8 n ASN 221 N -4.75 0.00 -0.41 -2.11 3.02 -0.78 -1.98 115.26 108.25 1pk8 n ASN 221 Ca -0.04 0.38 0.14 0.00 -0.03 0.00 0.00 54.58 55.03 1pk8 n ASN 221 Cb 0.18 -0.45 0.57 0.00 -0.61 0.00 0.00 39.78 39.48 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 -1.45 0.00 1.81 3.10 3.01 -0.40 -4.25 117.46 119.28 1pk8 n PHE 222 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.51 1pk8 n PHE 222 Cb 0.19 -0.01 0.00 0.00 -0.01 0.00 0.00 39.48 39.65 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 -1.04 2.04 0.27 0.00 1.01 -1.26 -4.95 116.67 112.75 1pk8 s ASP 224 Ca 0.00 -0.81 0.00 0.00 0.71 0.00 0.00 52.55 52.45 1pk8 s ASP 224 Cb 0.00 0.31 0.63 0.00 1.01 0.00 0.00 42.92 44.87 1pk8 s ASP 224 CO 0.00 -0.39 1.67 0.11 0.21 0.00 0.00 175.17 176.76 1pk8 h LYS 225 N 8.30 0.26 0.00 8.23 1.57 -1.87 0.26 116.57 133.32 1pk8 h LYS 225 Ca -0.15 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 1pk8 h LYS 225 Cb 1.07 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 1pk8 h LYS 225 CO 0.35 0.17 -0.05 -1.35 -0.57 0.00 0.00 179.45 178.01 1pk8 h PRO 226 N 0.27 0.00 -0.25 3.15 0.11 -1.97 0.29 132.00 133.60 1pk8 h PRO 226 Ca 0.51 0.00 -0.19 0.00 0.11 0.00 0.00 66.00 66.43 1pk8 h PRO 226 Cb 0.97 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.08 1pk8 h PRO 226 CO -0.59 0.05 -0.60 2.35 -0.21 0.00 0.00 178.00 179.00 1pk8 h TRP 227 N 0.00 1.04 -0.15 0.65 -0.00 -0.83 0.05 115.95 116.70 1pk8 h TRP 227 Ca -0.00 -0.39 -0.12 0.00 -0.00 0.00 0.00 58.89 58.38 1pk8 h TRP 227 Cb 0.38 -0.19 0.00 0.00 -0.00 0.00 0.00 29.16 29.35 1pk8 h TRP 227 CO 0.00 1.21 -0.38 0.28 -0.00 0.00 0.00 178.44 179.56 1pk8 h VAL 228 N 0.61 1.35 -0.76 2.65 2.07 -0.79 -3.07 116.25 118.32 1pk8 h VAL 228 Ca -0.00 -1.64 0.03 0.00 0.82 0.00 0.00 66.70 65.91 1pk8 h VAL 228 Cb 1.20 2.00 -0.04 0.00 -1.52 0.00 0.00 31.29 32.93 1pk8 h VAL 228 CO 0.13 0.50 0.50 0.15 0.02 0.00 0.00 177.57 178.87 1pk8 h PHE 229 N 0.16 0.90 0.00 1.57 3.57 -0.39 -0.05 116.94 122.69 1pk8 h PHE 229 Ca -0.00 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 1pk8 h PHE 229 Cb 0.98 -0.30 -0.00 0.00 2.79 0.00 0.00 35.95 39.42 1pk8 h PHE 229 CO 0.10 0.52 -0.02 0.00 -2.23 0.00 0.00 178.31 176.68 1pk8 h ALA 230 N 1.56 1.66 -0.22 2.41 0.00 -0.89 0.14 119.26 123.93 1pk8 h ALA 230 Ca 0.30 -0.02 -0.20 0.00 0.00 0.00 0.00 54.91 54.99 1pk8 h ALA 230 Cb 0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1pk8 h ALA 230 CO -0.09 0.03 -0.66 1.96 0.00 0.00 0.00 179.25 180.50 1pk8 h GLN 231 N 0.00 0.80 -0.17 0.00 1.08 -0.97 -2.52 115.11 113.32 1pk8 h GLN 231 Ca -0.00 -0.57 -0.10 0.00 -1.45 0.00 0.00 58.65 56.52 1pk8 h GLN 231 Cb 0.05 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1pk8 h GLN 231 CO 0.00 1.20 -0.34 0.52 -0.95 0.00 0.00 178.83 179.26 1pk8 h MET 232 N 0.59 0.35 -0.67 1.46 2.86 -0.81 -1.38 114.93 117.33 1pk8 h MET 232 Ca -0.02 -0.15 -0.01 0.00 -2.06 0.00 0.00 59.70 57.46 1pk8 h MET 232 Cb 1.27 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 32.88 1pk8 h MET 232 CO 0.14 0.65 0.37 0.28 1.06 0.00 0.00 176.91 179.41 1pk8 h VAL 233 N 0.31 1.21 -0.48 -2.22 2.07 -0.68 0.46 116.25 116.92 1pk8 h VAL 233 Ca 0.04 -0.51 -0.01 0.00 0.82 0.00 0.00 66.70 67.03 1pk8 h VAL 233 Cb 0.75 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1pk8 h VAL 233 CO 0.06 0.23 0.26 -0.09 0.02 0.00 0.00 177.57 178.04 1pk8 h ARG 234 N 0.91 0.68 -0.62 1.57 2.43 -1.06 -0.18 114.38 118.11 1pk8 h ARG 234 Ca 0.24 -0.09 -0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1pk8 h ARG 234 Cb 0.03 -0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 1pk8 h ARG 234 CO -0.04 0.55 0.33 -0.07 -1.51 0.00 0.00 179.97 179.23 1pk8 h LEU 235 N 0.64 0.79 -0.79 3.80 3.38 -0.42 -2.32 115.31 120.39 1pk8 h LEU 235 Ca 0.17 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1pk8 h LEU 235 Cb 0.07 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 1pk8 h LEU 235 CO -0.03 0.67 0.41 -0.74 0.09 0.00 0.00 178.44 178.85 1pk8 h HIS 236 N 0.85 1.10 -0.99 1.13 2.76 0.34 -0.17 115.15 120.17 1pk8 h HIS 236 Ca 0.22 -0.04 0.01 0.00 -2.20 0.00 0.00 60.37 58.36 1pk8 h HIS 236 Cb 0.06 -0.35 -0.05 0.00 1.55 0.00 0.00 27.41 28.63 1pk8 h HIS 236 CO -0.01 0.78 0.65 -0.22 -1.30 0.00 0.00 177.93 177.84 1pk8 h LYS 237 N 1.10 1.31 -0.02 5.26 3.64 -0.64 0.22 116.57 127.44 1pk8 h LYS 237 Ca 0.27 -0.09 -0.03 0.00 -1.27 0.00 0.00 60.65 59.54 1pk8 h LYS 237 Cb 0.06 -0.29 0.00 0.00 -0.41 0.00 0.00 32.23 31.59 1pk8 h LYS 237 CO -0.04 0.88 -0.09 -0.22 -2.27 0.00 0.00 179.45 177.70 1pk8 h LYS 238 N 1.35 0.09 0.08 1.90 3.64 -0.96 -3.37 116.57 119.29 1pk8 h LYS 238 Ca 0.36 -0.08 -0.26 0.00 -1.27 0.00 0.00 60.65 59.40 1pk8 h LYS 238 Cb -0.14 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.68 1pk8 h LYS 238 CO -0.08 0.75 -1.28 -0.07 -2.27 0.00 0.00 179.45 176.50 1pk8 h LEU 239 N -0.54 0.26 0.00 5.20 3.38 -0.97 -3.51 115.31 119.12 1pk8 h LEU 239 Ca -0.01 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1pk8 h LEU 239 Cb 0.77 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1pk8 h LEU 239 CO 0.02 1.25 0.00 0.61 0.09 0.00 0.00 178.44 180.41 1pk8 n GLY 240 N 1.51 -0.15 0.34 0.83 0.00 0.76 -4.37 105.19 104.11 1pk8 n GLY 240 Ca -0.09 -1.59 0.05 0.00 0.00 0.00 0.00 46.02 44.40 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 0.92 0.00 2.61 2.02 -1.79 0.42 112.91 117.08 1pk8 h THR 241 Ca 0.00 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.87 1pk8 h THR 241 Cb 0.00 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.33 1pk8 h THR 241 CO 0.00 0.17 0.00 -0.33 0.37 0.00 0.00 175.52 175.73 1pk8 h GLU 242 N 0.91 0.00 0.00 6.66 4.39 -1.98 -2.69 114.58 121.87 1pk8 h GLU 242 Ca 0.46 0.00 -0.21 0.00 0.34 0.00 0.00 59.36 59.95 1pk8 h GLU 242 Cb 0.43 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.05 1pk8 h GLU 242 CO -0.26 0.00 -1.78 0.39 -1.16 0.00 0.00 179.01 176.20 1pk8 n GLU 243 N -2.99 0.67 -3.52 2.33 -0.58 -0.53 -4.88 120.64 111.14 1pk8 n GLU 243 Ca -0.02 0.07 -0.28 0.00 -0.42 0.00 0.00 57.16 56.50 1pk8 n GLU 243 Cb 0.12 -1.28 -0.11 0.00 -0.57 0.00 0.00 31.44 29.59 1pk8 n GLU 243 CO 0.00 0.00 0.00 0.12 -0.48 0.00 0.00 177.13 176.77 1pk8 s PHE 244 N -2.28 1.42 -0.96 -0.32 5.36 0.14 -4.79 117.98 116.55 1pk8 s PHE 244 Ca -0.16 -2.27 -0.19 0.00 -0.96 0.00 0.00 56.93 53.34 1pk8 s PHE 244 Cb 0.05 -1.29 -0.10 0.00 -0.34 0.00 0.00 43.02 41.34 1pk8 s PHE 244 CO 0.34 -0.79 2.02 -0.35 -1.46 0.00 0.00 175.22 174.98 1pk8 n PRO 245 N 3.19 1.89 -2.08 10.12 -0.04 -1.02 -4.14 135.00 142.92 1pk8 n PRO 245 Ca 0.20 -2.03 -0.42 0.00 -0.04 0.00 0.00 63.50 61.21 1pk8 n PRO 245 Cb 0.41 -3.00 -0.03 0.00 -0.04 0.00 0.00 33.50 30.84 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 1.40 4.38 0.55 1.53 2.96 -1.26 -0.01 118.68 128.23 1pk8 s LEU 246 Ca 0.54 2.49 -0.21 0.00 -0.22 0.00 0.00 54.13 56.73 1pk8 s LEU 246 Cb 0.14 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.18 1pk8 s LEU 246 CO 0.06 -0.69 1.29 0.00 -1.32 0.00 0.00 176.35 175.68 1pk8 n ILE 247 N 3.42 3.78 -2.62 6.68 3.06 0.57 -4.73 119.36 129.51 1pk8 n ILE 247 Ca 0.10 -0.50 -0.41 0.00 -2.50 0.00 0.00 62.75 59.44 1pk8 n ILE 247 Cb 0.41 -1.56 -0.03 0.00 0.54 0.00 0.00 39.64 38.99 1pk8 n ILE 247 CO 0.00 0.00 0.00 -0.62 -2.50 0.00 0.00 176.55 173.43 1pk8 s ASP 248 N -0.96 6.25 0.16 9.51 -1.08 -1.26 -4.96 116.67 124.33 1pk8 s ASP 248 Ca 0.72 -0.81 0.03 0.00 -0.52 0.00 0.00 52.55 51.97 1pk8 s ASP 248 Cb -0.43 -2.53 -0.04 0.00 -1.46 0.00 0.00 42.92 38.47 1pk8 s ASP 248 CO 0.49 -1.67 0.25 -1.58 0.52 0.00 0.00 175.17 173.18 1pk8 s GLN 249 N 5.15 3.28 -0.05 4.34 0.74 -1.26 -4.15 119.66 127.72 1pk8 s GLN 249 Ca 0.35 -0.69 0.05 0.00 0.05 0.00 0.00 55.36 55.12 1pk8 s GLN 249 Cb -0.08 -2.87 -0.01 0.00 1.10 0.00 0.00 33.01 31.16 1pk8 s GLN 249 CO 0.08 0.51 -0.21 0.99 -0.55 0.00 0.00 175.29 176.11 1pk8 s THR 250 N -1.76 1.71 -0.17 -0.34 2.01 0.24 -4.98 115.64 112.35 1pk8 s THR 250 Ca 0.33 -0.87 -0.05 0.00 0.31 0.00 0.00 61.69 61.41 1pk8 s THR 250 Cb -0.11 -1.46 -0.03 0.00 0.01 0.00 0.00 72.50 70.91 1pk8 s THR 250 CO 0.27 0.48 -0.01 0.12 -0.69 0.00 0.00 174.62 174.79 1pk8 s PHE 251 N -0.04 3.06 -0.23 4.92 5.36 -1.26 -1.53 117.98 128.26 1pk8 s PHE 251 Ca -0.04 -0.29 -0.01 0.00 -0.96 0.00 0.00 56.93 55.63 1pk8 s PHE 251 Cb -0.13 -2.01 0.03 0.00 -0.34 0.00 0.00 43.02 40.57 1pk8 s PHE 251 CO 0.03 -0.07 -0.09 0.71 -1.46 0.00 0.00 175.22 174.34 1pk8 s TYR 252 N 0.54 3.03 0.34 10.12 2.02 0.14 -4.99 117.35 128.55 1pk8 s TYR 252 Ca -0.02 -1.63 0.06 0.00 -0.37 0.00 0.00 57.07 55.11 1pk8 s TYR 252 Cb -0.14 -2.02 0.73 0.00 -0.40 0.00 0.00 41.96 40.14 1pk8 s TYR 252 CO 0.02 -0.75 1.90 -1.35 -1.57 0.00 0.00 175.55 173.80 1pk8 h PRO 253 N 7.97 0.76 -3.57 -1.71 0.11 -1.94 -2.01 132.00 131.61 1pk8 h PRO 253 Ca -0.34 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.64 1pk8 h PRO 253 Cb 1.11 -0.17 -0.07 0.00 0.11 0.00 0.00 31.00 31.98 1pk8 h PRO 253 CO 0.57 0.50 -0.03 0.54 -0.21 0.00 0.00 178.00 179.37 1pk8 s ASN 254 N -5.92 0.11 0.60 -2.05 2.20 -1.26 -3.47 114.94 105.15 1pk8 s ASN 254 Ca -0.10 -1.04 0.32 0.00 -0.94 0.00 0.00 52.86 51.10 1pk8 s ASN 254 Cb 0.21 0.66 1.90 0.00 -2.00 0.00 0.00 41.25 42.02 1pk8 s ASN 254 CO 0.79 -1.28 2.26 1.12 -2.94 0.00 0.00 177.10 177.04 1pk8 h HIS 255 N 2.16 0.00 -0.02 1.54 2.07 -1.87 -2.95 115.15 116.08 1pk8 h HIS 255 Ca -0.27 0.00 0.01 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 0.76 0.00 0.05 0.87 -3.07 0.00 0.00 177.93 176.54 1pk8 h LYS 256 N 0.00 0.00 -0.01 5.12 1.57 -1.97 -1.36 116.57 119.93 1pk8 h LYS 256 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1pk8 h LYS 256 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1pk8 h LYS 256 CO -0.00 0.00 -0.44 0.39 -0.57 0.00 0.00 179.45 178.83 1pk8 n GLU 257 N -3.44 0.63 -2.66 3.15 -0.58 -1.11 -4.74 120.64 111.88 1pk8 n GLU 257 Ca -0.02 -0.43 -0.42 0.00 -0.42 0.00 0.00 57.16 55.87 1pk8 n GLU 257 Cb 0.13 -1.49 -0.02 0.00 -0.57 0.00 0.00 31.44 29.49 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 -2.66 3.79 -0.24 3.49 -1.94 -0.51 -4.75 119.30 116.47 1pk8 s MET 258 Ca 0.18 -1.67 -0.17 0.00 -1.71 0.00 0.00 55.69 52.32 1pk8 s MET 258 Cb 0.18 -5.33 -0.15 0.00 2.01 0.00 0.00 34.83 31.55 1pk8 s MET 258 CO 0.61 -2.12 -0.11 1.28 -0.01 0.00 0.00 175.02 174.67 1pk8 n LEU 259 N 8.05 1.91 0.00 -0.03 4.77 -1.26 -4.90 117.00 125.54 1pk8 n LEU 259 Ca 0.38 0.38 -0.03 0.00 -0.03 0.00 0.00 56.01 56.72 1pk8 n LEU 259 Cb 0.48 -0.88 0.01 0.00 -2.33 0.00 0.00 43.42 40.70 1pk8 n LEU 259 CO 0.67 0.38 0.38 -1.54 -1.33 0.00 0.00 177.39 175.95 1pk8 n SER 260 N -4.35 -1.01 -4.33 -1.43 3.41 -1.26 -4.79 113.62 99.85 1pk8 n SER 260 Ca -0.42 -1.60 -0.18 0.00 -0.26 0.00 0.00 58.87 56.41 1pk8 n SER 260 Cb 0.77 1.66 -0.10 0.00 -0.26 0.00 0.00 64.21 66.28 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 -2.21 2.40 0.07 4.04 0.15 -1.26 -5.04 113.70 111.85 1pk8 s SER 261 Ca 0.11 -1.03 0.02 0.00 0.70 0.00 0.00 55.95 55.74 1pk8 s SER 261 Cb -0.02 -0.11 -0.25 0.00 -1.71 0.00 0.00 66.02 63.94 1pk8 s SER 261 CO 0.04 -0.22 1.11 0.71 1.20 0.00 0.00 173.24 176.08 1pk8 h THR 262 N 2.59 1.47 -4.34 6.45 1.35 -2.02 -3.47 112.91 114.93 1pk8 h THR 262 Ca -0.38 -3.14 -0.16 0.00 -0.55 0.00 0.00 66.41 62.19 1pk8 h THR 262 Cb 1.22 2.83 -0.15 0.00 -1.73 0.00 0.00 68.15 70.32 1pk8 h THR 262 CO 0.63 0.88 -0.65 0.42 -0.25 0.00 0.00 175.52 176.55 1pk8 s THR 263 N -2.67 0.14 0.03 6.82 -4.23 -1.26 -5.17 115.64 109.31 1pk8 s THR 263 Ca -0.03 -1.86 0.01 0.00 -1.18 0.00 0.00 61.69 58.63 1pk8 s THR 263 Cb 0.08 -1.85 -0.02 0.00 1.34 0.00 0.00 72.50 72.04 1pk8 s THR 263 CO 0.85 -0.64 -0.04 -0.31 -0.54 0.00 0.00 174.62 173.93 1pk8 s TYR 264 N -4.00 0.43 0.86 3.99 2.02 -1.26 -4.55 117.35 114.85 1pk8 s TYR 264 Ca 0.18 -0.60 -0.12 0.00 -0.37 0.00 0.00 57.07 56.16 1pk8 s TYR 264 Cb 0.08 -0.28 0.11 0.00 -0.40 0.00 0.00 41.96 41.46 1pk8 s TYR 264 CO -0.02 -0.18 1.15 -2.14 -1.57 0.00 0.00 175.55 172.78 1pk8 s PRO 265 N -1.86 1.53 0.07 -1.71 0.02 -1.26 -5.00 135.00 126.79 1pk8 s PRO 265 Ca -0.11 0.27 0.00 0.00 0.02 0.00 0.00 61.00 61.19 1pk8 s PRO 265 Cb -0.07 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.52 1pk8 s PRO 265 CO -0.02 -1.93 -0.05 0.14 -0.33 0.00 0.00 177.00 174.82 1pk8 s VAL 266 N -3.36 0.46 -0.16 3.83 -7.23 -0.53 -1.29 120.40 112.12 1pk8 s VAL 266 Ca 0.63 -1.82 -0.01 0.00 -1.81 0.00 0.00 61.98 58.97 1pk8 s VAL 266 Cb -0.13 -1.53 -0.01 0.00 0.56 0.00 0.00 36.38 35.27 1pk8 s VAL 266 CO 0.52 -0.90 -0.10 -0.69 -0.31 0.00 0.00 175.10 173.62 1pk8 s VAL 267 N -3.61 3.16 -0.19 1.32 1.01 0.10 -0.38 120.40 121.82 1pk8 s VAL 267 Ca 0.08 -0.60 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 1pk8 s VAL 267 Cb 0.05 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.04 1pk8 s VAL 267 CO -0.07 0.50 0.05 -0.69 0.00 0.00 0.00 175.10 174.89 1pk8 s VAL 268 N 0.69 4.60 -0.26 2.92 1.01 0.04 -1.75 120.40 127.64 1pk8 s VAL 268 Ca -0.05 -0.10 0.01 0.00 0.00 0.00 0.00 61.98 61.84 1pk8 s VAL 268 Cb -0.15 -3.07 0.05 0.00 0.00 0.00 0.00 36.38 33.21 1pk8 s VAL 268 CO 0.02 0.45 -0.09 -0.54 0.00 0.00 0.00 175.10 174.94 1pk8 s LYS 269 N 0.55 2.37 -0.01 2.72 1.02 -0.34 -1.57 119.74 124.49 1pk8 s LYS 269 Ca 0.02 -1.27 -0.23 0.00 0.02 0.00 0.00 55.97 54.51 1pk8 s LYS 269 Cb -0.13 -2.95 -0.05 0.00 -0.52 0.00 0.00 37.83 34.18 1pk8 s LYS 269 CO 0.01 -0.55 0.67 -1.64 -0.92 0.00 0.00 175.35 172.92 1pk8 s MET 270 N 1.16 4.40 2.75 1.68 -1.94 -0.47 -1.99 119.30 124.90 1pk8 s MET 270 Ca -0.07 0.86 0.00 0.00 -1.71 0.00 0.00 55.69 54.78 1pk8 s MET 270 Cb -0.19 -3.38 0.00 0.00 2.01 0.00 0.00 34.83 33.27 1pk8 s MET 270 CO -0.04 0.26 0.00 0.41 -0.01 0.00 0.00 175.02 175.63 1pk8 n GLY 271 N 2.63 1.79 2.99 -0.03 0.00 0.32 -4.40 105.19 108.49 1pk8 n GLY 271 Ca -0.04 -0.40 -0.31 0.00 0.00 0.00 0.00 46.02 45.27 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 2.85 0.24 1.61 2.46 -1.26 -4.81 115.29 116.39 1pk8 s HIS 272 Ca 0.00 -2.12 -0.13 0.00 0.47 0.00 0.00 55.06 53.29 1pk8 s HIS 272 Cb 0.00 -1.88 -0.00 0.00 -0.13 0.00 0.00 32.58 30.57 1pk8 s HIS 272 CO 0.00 -0.84 0.48 0.00 -2.47 0.00 0.00 174.74 171.91 1pk8 s ALA 273 N 1.24 -0.27 0.43 1.58 0.00 -1.26 -0.86 121.76 122.62 1pk8 s ALA 273 Ca -0.04 -0.85 0.04 0.00 0.00 0.00 0.00 51.96 51.10 1pk8 s ALA 273 Cb -0.19 1.06 -0.02 0.00 0.00 0.00 0.00 23.12 23.96 1pk8 s ALA 273 CO -0.07 -0.85 0.13 -1.01 0.00 0.00 0.00 175.76 173.96 1pk8 s HIS 274 N -4.01 1.78 -1.52 0.00 0.09 -1.26 -4.80 115.29 105.57 1pk8 s HIS 274 Ca 0.22 -1.30 -0.14 0.00 -0.00 0.00 0.00 55.06 53.84 1pk8 s HIS 274 Cb -0.01 -1.18 0.10 0.00 -0.00 0.00 0.00 32.58 31.50 1pk8 s HIS 274 CO 0.08 -0.30 0.79 0.43 -0.00 0.00 0.00 174.74 175.75 1pk8 n SER 275 N -1.39 -4.18 0.00 1.40 7.64 -1.26 -0.62 113.62 115.21 1pk8 n SER 275 Ca -0.07 -0.73 0.00 0.00 1.01 0.00 0.00 58.87 59.08 1pk8 n SER 275 Cb 0.65 -3.38 0.00 0.00 -1.01 0.00 0.00 64.21 60.47 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 -1.47 1.38 3.75 0.23 0.00 -1.26 -5.02 105.19 102.81 1pk8 n GLY 276 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.23 4.18 -0.24 1.61 -2.45 0.21 -2.86 119.30 119.51 1pk8 s MET 277 Ca 0.00 2.47 0.00 0.00 -1.25 0.00 0.00 55.69 56.91 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 -0.54 0.00 0.41 1.05 0.00 0.00 175.02 175.94 1pk8 n GLY 278 N 1.96 0.51 3.30 2.11 0.00 -1.26 -4.51 105.19 107.30 1pk8 n GLY 278 Ca 0.07 -0.20 -0.35 0.00 0.00 0.00 0.00 46.02 45.54 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 -1.31 3.35 0.11 1.61 1.02 -1.14 -1.37 119.74 122.02 1pk8 s LYS 279 Ca 0.00 -0.65 0.06 0.00 0.02 0.00 0.00 55.97 55.40 1pk8 s LYS 279 Cb 0.00 -2.93 -0.04 0.00 -0.52 0.00 0.00 37.83 34.34 1pk8 s LYS 279 CO 0.00 -0.16 -0.14 0.14 -0.92 0.00 0.00 175.35 174.27 1pk8 s VAL 280 N 1.35 1.29 -0.14 3.17 -7.23 -0.61 -4.97 120.40 113.26 1pk8 s VAL 280 Ca 0.04 -1.65 -0.14 0.00 -1.81 0.00 0.00 61.98 58.43 1pk8 s VAL 280 Cb -0.14 -1.46 -0.05 0.00 0.56 0.00 0.00 36.38 35.29 1pk8 s VAL 280 CO -0.03 -0.38 0.30 -0.75 -0.31 0.00 0.00 175.10 173.92 1pk8 s LYS 281 N -2.52 4.18 -0.22 4.82 2.20 -1.26 -0.78 119.74 126.16 1pk8 s LYS 281 Ca 0.07 0.12 0.02 0.00 -0.36 0.00 0.00 55.97 55.82 1pk8 s LYS 281 Cb -0.06 -3.39 0.04 0.00 -1.51 0.00 0.00 37.83 32.91 1pk8 s LYS 281 CO 0.03 0.31 -0.15 0.08 -0.36 0.00 0.00 175.35 175.26 1pk8 s VAL 282 N 0.24 2.04 -0.77 4.02 1.01 0.49 -4.98 120.40 122.45 1pk8 s VAL 282 Ca 0.17 -1.25 0.25 0.00 0.00 0.00 0.00 61.98 61.16 1pk8 s VAL 282 Cb -0.13 -2.02 0.12 0.00 0.00 0.00 0.00 36.38 34.35 1pk8 s VAL 282 CO 0.05 0.24 1.51 0.47 0.00 0.00 0.00 175.10 177.37 1pk8 n ASP 283 N 4.55 0.60 -3.70 3.32 8.00 -1.26 -1.45 116.55 126.61 1pk8 n ASP 283 Ca -0.17 0.20 -0.06 0.00 0.71 0.00 0.00 54.79 55.46 1pk8 n ASP 283 Cb 0.46 -0.11 -0.01 0.00 -0.02 0.00 0.00 41.12 41.44 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 -3.91 -0.20 0.16 -2.24 2.20 -1.26 -4.57 114.94 105.12 1pk8 s ASN 284 Ca 0.09 -0.64 -0.16 0.00 -0.94 0.00 0.00 52.86 51.21 1pk8 s ASN 284 Cb 0.15 0.68 0.08 0.00 -2.00 0.00 0.00 41.25 40.16 1pk8 s ASN 284 CO 0.67 -1.28 1.73 -0.61 -2.94 0.00 0.00 177.10 174.67 1pk8 h GLN 285 N 2.00 0.19 -0.91 3.55 5.75 -1.98 0.20 115.11 123.92 1pk8 h GLN 285 Ca -0.22 -0.01 0.03 0.00 -0.15 0.00 0.00 58.65 58.30 1pk8 h GLN 285 Cb 1.24 -0.04 -0.05 0.00 1.07 0.00 0.00 27.48 29.70 1pk8 h GLN 285 CO 0.26 0.13 0.59 0.45 -2.65 0.00 0.00 178.83 177.61 1pk8 h HIS 286 N 0.20 1.11 -0.04 3.99 3.86 -1.98 -0.40 115.15 121.88 1pk8 h HIS 286 Ca 0.17 0.03 -0.12 0.00 -1.16 0.00 0.00 60.37 59.29 1pk8 h HIS 286 Cb 0.20 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.28 1pk8 h HIS 286 CO -0.19 0.65 -0.53 -0.44 0.86 0.00 0.00 177.93 178.29 1pk8 h ASP 287 N 1.16 0.12 -0.17 2.45 5.19 -1.86 -2.45 116.42 120.85 1pk8 h ASP 287 Ca 0.36 -0.06 -0.02 0.00 -0.62 0.00 0.00 57.03 56.69 1pk8 h ASP 287 Cb -0.02 -0.03 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 1pk8 h ASP 287 CO -0.11 0.63 0.03 0.15 -3.12 0.00 0.00 179.24 176.81 1pk8 h PHE 288 N 0.09 0.31 0.00 4.55 3.57 0.77 -1.71 116.94 124.51 1pk8 h PHE 288 Ca -0.00 -0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.43 1pk8 h PHE 288 Cb 0.96 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.61 1pk8 h PHE 288 CO 0.01 0.44 -0.13 1.96 -2.23 0.00 0.00 178.31 178.36 1pk8 h GLN 289 N 0.08 0.00 -0.05 1.11 4.20 -1.01 0.52 115.11 119.95 1pk8 h GLN 289 Ca 0.05 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.72 1pk8 h GLN 289 Cb 0.30 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.08 1pk8 h GLN 289 CO 0.00 0.13 -0.15 -0.44 -0.67 0.00 0.00 178.83 177.71 1pk8 h ASP 290 N 0.00 0.22 -0.63 1.46 3.32 -1.11 -2.33 116.42 117.35 1pk8 h ASP 290 Ca -0.00 -0.60 -0.03 0.00 0.02 0.00 0.00 57.03 56.42 1pk8 h ASP 290 Cb 0.24 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 39.69 1pk8 h ASP 290 CO 0.02 0.78 0.30 0.40 -1.72 0.00 0.00 179.24 179.02 1pk8 h ILE 291 N -0.33 1.22 -0.63 0.35 1.08 -0.93 -1.64 117.51 116.64 1pk8 h ILE 291 Ca -0.00 -0.63 -0.03 0.00 -0.39 0.00 0.00 64.86 63.80 1pk8 h ILE 291 Cb 0.76 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 34.87 1pk8 h ILE 291 CO 0.03 0.26 0.26 0.00 -0.69 0.00 0.00 178.15 178.01 1pk8 h ALA 292 N 1.40 1.27 0.00 1.87 0.00 -0.88 -0.06 119.26 122.85 1pk8 h ALA 292 Ca 0.23 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 1pk8 h ALA 292 Cb 0.12 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 1pk8 h ALA 292 CO -0.03 0.54 -0.31 0.66 0.00 0.00 0.00 179.25 180.12 1pk8 h SER 293 N 0.90 0.00 0.39 0.00 4.64 -0.74 -2.06 113.55 116.67 1pk8 h SER 293 Ca 0.21 0.00 -0.22 0.00 -0.47 0.00 0.00 61.79 61.31 1pk8 h SER 293 Cb 0.16 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.25 1pk8 h SER 293 CO -0.02 0.31 -0.93 0.58 -0.87 0.00 0.00 176.83 175.90 1pk8 h VAL 294 N 0.00 1.42 -1.00 0.95 2.07 -0.49 -3.05 116.25 116.15 1pk8 h VAL 294 Ca -0.00 -2.48 0.06 0.00 0.82 0.00 0.00 66.70 65.10 1pk8 h VAL 294 Cb 0.57 2.43 -0.07 0.00 -1.52 0.00 0.00 31.29 32.70 1pk8 h VAL 294 CO 0.04 0.74 0.64 0.58 0.02 0.00 0.00 177.57 179.59 1pk8 h VAL 295 N 0.20 1.09 -1.00 2.57 2.07 -0.38 -0.24 116.25 120.56 1pk8 h VAL 295 Ca -0.07 -0.40 0.23 0.00 0.82 0.00 0.00 66.70 67.28 1pk8 h VAL 295 Cb 1.56 -0.19 -0.10 0.00 -1.52 0.00 0.00 31.29 31.05 1pk8 h VAL 295 CO 0.16 0.21 0.63 0.00 0.02 0.00 0.00 177.57 178.59 1pk8 h ALA 296 N 1.45 2.02 0.00 1.67 0.00 -1.34 0.11 119.26 123.16 1pk8 h ALA 296 Ca 0.43 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.40 1pk8 h ALA 296 Cb 0.16 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1pk8 h ALA 296 CO -0.17 -0.40 -0.07 1.28 0.00 0.00 0.00 179.25 179.89 1pk8 n LEU 297 N -4.67 0.55 0.17 0.00 4.77 -0.12 -2.50 117.00 115.20 1pk8 n LEU 297 Ca 0.24 0.50 0.12 0.00 -0.03 0.00 0.00 56.01 56.84 1pk8 n LEU 297 Cb 0.74 -0.36 0.11 0.00 -2.33 0.00 0.00 43.42 41.59 1pk8 n LEU 297 CO 0.24 -0.11 0.50 0.71 -1.33 0.00 0.00 177.39 177.41 1pk8 h THR 298 N 0.00 0.00 -4.39 -5.08 1.35 -0.62 -3.47 112.91 100.69 1pk8 h THR 298 Ca 0.00 -0.96 -0.39 0.00 -0.55 0.00 0.00 66.41 64.51 1pk8 h THR 298 Cb 0.66 1.76 0.01 0.00 -1.73 0.00 0.00 68.15 68.85 1pk8 h THR 298 CO 0.00 0.00 -0.56 0.29 -0.25 0.00 0.00 175.52 175.00 1pk8 n LYS 299 N -2.87 -3.87 -1.97 4.72 5.02 -0.96 -4.95 118.16 113.28 1pk8 n LYS 299 Ca 0.03 0.81 0.00 0.00 -2.02 0.00 0.00 58.31 57.13 1pk8 n LYS 299 Cb 0.53 -5.59 0.00 0.00 -0.02 0.00 0.00 35.03 29.95 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 -4.22 0.00 -2.24 -0.18 5.66 -1.26 -5.12 114.28 106.93 1pk8 n THR 300 Ca -0.12 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.63 1pk8 n THR 300 Cb 0.61 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 69.46 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 -1.96 2.94 0.09 1.09 -0.85 -1.23 -4.40 117.35 113.03 1pk8 s TYR 301 Ca 0.00 0.43 -0.18 0.00 -0.52 0.00 0.00 57.07 56.80 1pk8 s TYR 301 Cb 0.00 -3.14 0.04 0.00 0.38 0.00 0.00 41.96 39.24 1pk8 s TYR 301 CO 0.00 -1.33 0.43 0.00 -1.52 0.00 0.00 175.55 173.12 1pk8 s ALA 302 N -3.20 -1.03 0.15 9.51 0.00 -0.76 -0.52 121.76 125.91 1pk8 s ALA 302 Ca 0.59 0.18 0.07 0.00 0.00 0.00 0.00 51.96 52.81 1pk8 s ALA 302 Cb -0.11 0.53 -0.04 0.00 0.00 0.00 0.00 23.12 23.51 1pk8 s ALA 302 CO 0.44 -0.56 -0.15 0.95 0.00 0.00 0.00 175.76 176.44 1pk8 s THR 303 N -3.15 1.54 0.01 0.00 -4.23 -0.84 -0.68 115.64 108.29 1pk8 s THR 303 Ca -0.01 -1.86 0.03 0.00 -1.18 0.00 0.00 61.69 58.67 1pk8 s THR 303 Cb 0.00 -1.71 -0.01 0.00 1.34 0.00 0.00 72.50 72.12 1pk8 s THR 303 CO -0.07 -0.42 -0.10 0.00 -0.54 0.00 0.00 174.62 173.49 1pk8 s ALA 304 N -2.26 0.84 -0.00 3.99 0.00 -0.58 -1.20 121.76 122.55 1pk8 s ALA 304 Ca 0.13 -0.53 -0.13 0.00 0.00 0.00 0.00 51.96 51.43 1pk8 s ALA 304 Cb -0.04 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.92 1pk8 s ALA 304 CO 0.05 0.18 0.27 -1.83 0.00 0.00 0.00 175.76 174.42 1pk8 s GLU 305 N -0.56 0.64 0.36 0.00 -1.05 -0.72 -0.60 118.70 116.78 1pk8 s GLU 305 Ca 0.02 -0.28 -0.27 0.00 -0.15 0.00 0.00 54.97 54.28 1pk8 s GLU 305 Cb -0.05 0.28 -0.12 0.00 -0.44 0.00 0.00 34.13 33.80 1pk8 s GLU 305 CO 0.00 -0.18 1.21 -2.30 0.95 0.00 0.00 175.26 174.94 1pk8 n PRO 306 N 1.23 1.87 -2.51 -4.83 -0.02 -1.26 0.01 135.00 129.49 1pk8 n PRO 306 Ca -0.21 0.66 -0.41 0.00 -2.02 0.00 0.00 63.50 61.51 1pk8 n PRO 306 Cb 0.56 -2.22 -0.04 0.00 -0.02 0.00 0.00 33.50 31.78 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 -1.13 3.56 -0.26 6.00 5.36 -0.41 -4.58 117.98 126.52 1pk8 s PHE 307 Ca 0.58 1.52 -0.09 0.00 -0.96 0.00 0.00 56.93 57.98 1pk8 s PHE 307 Cb -0.58 -3.30 -0.04 0.00 -0.34 0.00 0.00 43.02 38.76 1pk8 s PHE 307 CO 0.60 -0.74 0.12 0.42 -1.46 0.00 0.00 175.22 174.17 1pk8 s ILE 308 N 0.26 4.82 -1.25 3.12 -1.09 -1.26 -4.86 121.20 120.94 1pk8 s ILE 308 Ca 0.52 0.00 -0.19 0.00 -2.23 0.00 0.00 60.65 58.75 1pk8 s ILE 308 Cb -0.29 -3.27 0.05 0.00 -1.58 0.00 0.00 42.46 37.38 1pk8 s ILE 308 CO 0.32 0.31 1.73 -0.62 -1.23 0.00 0.00 174.94 175.45 1pk8 s ASP 309 N 1.56 6.59 0.05 3.58 2.15 -1.26 -4.93 116.67 124.41 1pk8 s ASP 309 Ca 0.06 -2.22 -0.26 0.00 0.43 0.00 0.00 52.55 50.56 1pk8 s ASP 309 Cb -0.15 -2.58 -0.05 0.00 -0.30 0.00 0.00 42.92 39.83 1pk8 s ASP 309 CO 0.07 -1.43 0.79 0.00 -0.17 0.00 0.00 175.17 174.43 1pk8 s ALA 310 N 5.09 3.35 0.14 3.66 0.00 -1.26 -1.98 121.76 130.74 1pk8 s ALA 310 Ca 0.55 0.32 -0.12 0.00 0.00 0.00 0.00 51.96 52.71 1pk8 s ALA 310 Cb 0.03 -3.04 -0.04 0.00 0.00 0.00 0.00 23.12 20.07 1pk8 s ALA 310 CO 0.06 0.04 1.48 -0.22 0.00 0.00 0.00 175.76 177.13 1pk8 h LYS 311 N 5.72 0.90 -1.52 0.00 3.64 -0.51 -3.46 116.57 121.34 1pk8 h LYS 311 Ca -0.44 -0.44 0.29 0.00 -1.27 0.00 0.00 60.65 58.79 1pk8 h LYS 311 Cb 1.21 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 32.89 1pk8 h LYS 311 CO 0.71 1.09 0.80 1.52 -2.27 0.00 0.00 179.45 181.31 1pk8 s TYR 312 N -4.48 -0.08 0.15 1.91 -0.85 -1.19 -4.90 117.35 107.92 1pk8 s TYR 312 Ca -0.11 -0.02 0.10 0.00 -0.52 0.00 0.00 57.07 56.52 1pk8 s TYR 312 Cb 0.11 0.54 -0.04 0.00 0.38 0.00 0.00 41.96 42.95 1pk8 s TYR 312 CO 0.87 -0.29 -0.18 0.16 -1.52 0.00 0.00 175.55 174.59 1pk8 s ASP 313 N -2.70 3.86 0.11 -0.18 1.47 -0.82 -0.24 116.67 118.17 1pk8 s ASP 313 Ca 0.12 -0.64 0.08 0.00 1.18 0.00 0.00 52.55 53.30 1pk8 s ASP 313 Cb 0.02 -0.51 -0.04 0.00 -0.34 0.00 0.00 42.92 42.06 1pk8 s ASP 313 CO -0.04 0.15 -0.21 -0.69 0.68 0.00 0.00 175.17 175.06 1pk8 s VAL 314 N -1.40 1.76 -0.14 2.11 1.01 0.14 -0.06 120.40 123.82 1pk8 s VAL 314 Ca 0.20 -1.61 -0.01 0.00 0.00 0.00 0.00 61.98 60.56 1pk8 s VAL 314 Cb -0.09 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 34.70 1pk8 s VAL 314 CO 0.11 -0.09 -0.04 -0.60 0.00 0.00 0.00 175.10 174.49 1pk8 s ARG 315 N -2.04 1.18 -0.30 2.72 3.52 0.28 -0.31 118.95 124.00 1pk8 s ARG 315 Ca 0.08 -0.30 -0.13 0.00 -0.13 0.00 0.00 55.73 55.25 1pk8 s ARG 315 Cb -0.09 -1.69 -0.03 0.00 -1.56 0.00 0.00 34.95 31.58 1pk8 s ARG 315 CO 0.05 -0.39 0.26 0.08 -0.81 0.00 0.00 175.30 174.49 1pk8 s VAL 316 N 1.75 5.26 0.23 7.11 1.01 -0.04 -1.68 120.40 134.03 1pk8 s VAL 316 Ca 0.03 0.13 0.07 0.00 0.00 0.00 0.00 61.98 62.20 1pk8 s VAL 316 Cb -0.14 -3.65 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 1pk8 s VAL 316 CO -0.07 0.11 0.13 0.00 0.00 0.00 0.00 175.10 175.27 1pk8 s GLN 317 N 1.85 2.77 -0.18 2.72 -2.07 0.17 -0.05 119.66 124.86 1pk8 s GLN 317 Ca 0.09 -1.08 -0.04 0.00 -1.82 0.00 0.00 55.36 52.51 1pk8 s GLN 317 Cb -0.16 -2.49 0.09 0.00 -1.09 0.00 0.00 33.01 29.35 1pk8 s GLN 317 CO 0.11 0.42 0.24 0.21 -1.32 0.00 0.00 175.29 174.95 1pk8 s LYS 318 N -3.58 0.19 -0.29 9.60 2.20 0.02 -2.70 119.74 125.17 1pk8 s LYS 318 Ca 0.32 0.39 0.01 0.00 -0.36 0.00 0.00 55.97 56.33 1pk8 s LYS 318 Cb -0.08 -0.79 0.07 0.00 -1.51 0.00 0.00 37.83 35.51 1pk8 s LYS 318 CO 0.23 -0.54 -0.03 0.42 -0.36 0.00 0.00 175.35 175.07 1pk8 s ILE 319 N 2.37 2.50 0.00 5.43 1.01 -0.57 -1.99 121.20 129.95 1pk8 s ILE 319 Ca 0.06 -1.70 0.00 0.00 0.00 0.00 0.00 60.65 59.01 1pk8 s ILE 319 Cb -0.15 -2.54 0.00 0.00 0.01 0.00 0.00 42.46 39.79 1pk8 s ILE 319 CO -0.11 -0.18 0.00 0.61 0.00 0.00 0.00 174.94 175.25 1pk8 n GLY 320 N 4.47 1.76 0.20 6.18 0.00 -0.70 -0.97 105.19 116.13 1pk8 n GLY 320 Ca -0.10 0.20 0.09 0.00 0.00 0.00 0.00 46.02 46.20 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 1.99 1.77 -4.03 1.61 1.13 -1.26 -5.00 117.38 113.59 1pk8 n GLN 321 Ca 0.00 -2.48 -0.35 0.00 -1.94 0.00 0.00 57.00 52.23 1pk8 n GLN 321 Cb 0.00 -1.49 -0.10 0.00 0.11 0.00 0.00 30.24 28.76 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 -2.47 5.48 0.05 1.08 3.84 -0.14 -5.09 114.94 117.68 1pk8 s ASN 322 Ca 0.30 0.02 0.05 0.00 0.21 0.00 0.00 52.86 53.44 1pk8 s ASN 322 Cb 0.25 -1.94 -0.04 0.00 -0.55 0.00 0.00 41.25 38.98 1pk8 s ASN 322 CO 0.04 0.15 -0.10 -0.31 -2.79 0.00 0.00 177.10 174.08 1pk8 s TYR 323 N 0.52 2.76 -0.10 0.43 1.51 -1.26 -1.51 117.35 119.69 1pk8 s TYR 323 Ca 0.02 -0.13 -0.12 0.00 -1.01 0.00 0.00 57.07 55.84 1pk8 s TYR 323 Cb -0.13 -1.52 0.03 0.00 -0.11 0.00 0.00 41.96 40.23 1pk8 s TYR 323 CO 0.01 0.36 0.32 0.15 -1.11 0.00 0.00 175.55 175.28 1pk8 s LYS 324 N -1.69 0.43 -0.09 -0.62 1.02 -1.10 -5.01 119.74 112.69 1pk8 s LYS 324 Ca 0.18 0.31 0.04 0.00 0.02 0.00 0.00 55.97 56.52 1pk8 s LYS 324 Cb -0.11 0.21 -0.00 0.00 -0.52 0.00 0.00 37.83 37.41 1pk8 s LYS 324 CO 0.09 -0.07 -0.23 0.00 -0.92 0.00 0.00 175.35 174.22 1pk8 s ALA 325 N -0.15 2.07 -0.05 5.17 0.00 -1.26 -0.66 121.76 126.89 1pk8 s ALA 325 Ca -0.03 -0.92 0.04 0.00 0.00 0.00 0.00 51.96 51.04 1pk8 s ALA 325 Cb -0.03 -0.76 0.00 0.00 0.00 0.00 0.00 23.12 22.34 1pk8 s ALA 325 CO 0.01 0.29 -0.16 0.71 0.00 0.00 0.00 175.76 176.62 1pk8 s TYR 326 N 0.28 1.64 -0.17 0.00 2.02 -0.68 -1.05 117.35 119.39 1pk8 s TYR 326 Ca -0.16 -0.51 -0.06 0.00 -0.37 0.00 0.00 57.07 55.97 1pk8 s TYR 326 Cb -0.17 -1.13 -0.04 0.00 -0.40 0.00 0.00 41.96 40.22 1pk8 s TYR 326 CO 0.07 -0.20 0.04 1.41 -1.57 0.00 0.00 175.55 175.30 1pk8 s MET 327 N 0.21 3.86 -0.07 -0.62 -2.45 -0.66 -0.56 119.30 119.02 1pk8 s MET 327 Ca -0.07 -0.38 0.05 0.00 -1.25 0.00 0.00 55.69 54.03 1pk8 s MET 327 Cb -0.13 -3.13 -0.00 0.00 1.25 0.00 0.00 34.83 32.82 1pk8 s MET 327 CO 0.03 0.29 -0.22 0.50 1.05 0.00 0.00 175.02 176.67 1pk8 s ARG 328 N 0.29 2.41 0.00 4.11 3.52 0.92 -1.67 118.95 128.53 1pk8 s ARG 328 Ca 0.02 -0.78 0.06 0.00 -0.13 0.00 0.00 55.73 54.89 1pk8 s ARG 328 Cb -0.13 -1.98 -0.02 0.00 -1.56 0.00 0.00 34.95 31.27 1pk8 s ARG 328 CO 0.01 0.27 -0.18 0.99 -0.81 0.00 0.00 175.30 175.58 1pk8 s THR 329 N 0.08 1.40 0.23 4.11 2.01 -0.17 -1.94 115.64 121.38 1pk8 s THR 329 Ca -0.08 -0.84 -0.30 0.00 0.31 0.00 0.00 61.69 60.77 1pk8 s THR 329 Cb -0.14 -1.18 -0.09 0.00 0.01 0.00 0.00 72.50 71.09 1pk8 s THR 329 CO 0.05 0.33 0.96 -0.94 -0.69 0.00 0.00 174.62 174.32 1pk8 s SER 330 N -0.60 7.61 -0.09 3.53 1.04 -1.26 0.08 113.70 124.00 1pk8 s SER 330 Ca 0.06 1.97 0.14 0.00 0.48 0.00 0.00 55.95 58.60 1pk8 s SER 330 Cb -0.07 -2.61 0.21 0.00 0.10 0.00 0.00 66.02 63.65 1pk8 s SER 330 CO -0.00 0.12 1.10 0.52 0.98 0.00 0.00 173.24 175.95 1pk8 n VAL 331 N 1.55 1.51 0.00 5.02 0.31 -1.26 -4.79 118.33 120.66 1pk8 n VAL 331 Ca -0.02 -1.78 0.00 0.00 -0.01 0.00 0.00 64.34 62.54 1pk8 n VAL 331 Cb 0.47 -0.02 0.00 0.00 -0.91 0.00 0.00 33.84 33.38 1pk8 n VAL 331 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1pk8 n ASN 334 N -1.11 0.00 -0.33 4.52 2.85 -1.26 -4.19 115.26 115.74 1pk8 n ASN 334 Ca 0.11 0.00 0.16 0.00 -0.11 0.00 0.00 54.58 54.75 1pk8 n ASN 334 Cb 0.58 0.00 0.39 0.00 1.24 0.00 0.00 39.78 42.00 1pk8 n ASN 334 CO 0.00 0.00 0.00 4.11 -2.11 0.00 0.00 177.26 179.26 1pk8 h TRP 335 N 0.00 0.91 -1.81 1.20 5.08 -2.02 -3.30 115.95 116.01 1pk8 h TRP 335 Ca 0.00 0.03 -0.57 0.00 1.08 0.00 0.00 58.89 59.43 1pk8 h TRP 335 Cb 0.00 -0.27 -0.09 0.00 -3.00 0.00 0.00 29.16 25.80 1pk8 h TRP 335 CO 0.00 0.17 1.23 0.15 -1.28 0.00 0.00 178.44 178.72 1pk8 s LYS 336 N -5.71 3.38 0.00 0.12 1.02 -1.26 -4.80 119.74 112.49 1pk8 s LYS 336 Ca -0.10 -0.70 0.02 0.00 0.02 0.00 0.00 55.97 55.20 1pk8 s LYS 336 Cb 0.25 -4.73 0.08 0.00 -0.52 0.00 0.00 37.83 32.91 1pk8 s LYS 336 CO 0.80 -2.16 0.85 0.25 -0.92 0.00 0.00 175.35 174.18 1pk8 n THR 337 N 6.57 1.09 0.00 2.17 -2.24 -1.24 -5.04 114.28 115.58 1pk8 n THR 337 Ca 0.17 0.27 0.00 0.00 -2.27 0.00 0.00 64.05 62.22 1pk8 n THR 337 Cb 0.50 -1.25 0.00 0.00 -2.10 0.00 0.00 70.33 67.48 1pk8 n THR 337 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1pk8 n ASN 338 N -1.29 0.00 0.00 3.42 5.03 -1.26 -4.86 115.26 116.30 1pk8 n ASN 338 Ca 0.01 -0.24 0.00 0.00 0.87 0.00 0.00 54.58 55.22 1pk8 n ASN 338 Cb 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.77 1pk8 n ASN 338 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1pk8 n ALA 342 N 1.13 0.00 -3.70 5.41 0.00 -1.26 -5.06 120.51 117.03 1pk8 n ALA 342 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1pk8 n ALA 342 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 19.45 19.28 1pk8 n ALA 342 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1pk8 s MET 343 N -0.61 -0.06 0.04 0.00 -2.45 0.11 -4.83 119.30 111.51 1pk8 s MET 343 Ca 0.00 0.32 0.01 0.00 -1.25 0.00 0.00 55.69 54.76 1pk8 s MET 343 Cb 0.00 -0.43 -0.04 0.00 1.25 0.00 0.00 34.83 35.61 1pk8 s MET 343 CO 0.00 -0.28 0.12 -0.51 1.05 0.00 0.00 175.02 175.40 1pk8 s LEU 344 N 1.82 4.00 -0.23 4.11 1.43 -1.26 -0.99 118.68 127.56 1pk8 s LEU 344 Ca 0.01 0.13 -0.05 0.00 -1.03 0.00 0.00 54.13 53.19 1pk8 s LEU 344 Cb -0.12 -2.53 0.12 0.00 0.03 0.00 0.00 46.19 43.68 1pk8 s LEU 344 CO -0.03 0.21 0.41 -0.70 0.23 0.00 0.00 176.35 176.47 1pk8 s GLU 345 N -2.18 0.35 0.33 1.70 2.12 -0.67 -5.01 118.70 115.35 1pk8 s GLU 345 Ca 0.28 0.81 -0.29 0.00 0.36 0.00 0.00 54.97 56.14 1pk8 s GLU 345 Cb -0.12 -0.02 -0.10 0.00 0.26 0.00 0.00 34.13 34.14 1pk8 s GLU 345 CO 0.20 -0.45 1.29 -1.14 -0.54 0.00 0.00 175.26 174.62 1pk8 s GLN 346 N 2.60 4.36 0.41 4.30 0.74 -1.26 -1.66 119.66 129.14 1pk8 s GLN 346 Ca 0.06 2.18 0.04 0.00 0.05 0.00 0.00 55.36 57.69 1pk8 s GLN 346 Cb -0.14 -3.06 -0.05 0.00 1.10 0.00 0.00 33.01 30.87 1pk8 s GLN 346 CO -0.15 -0.17 0.05 0.96 -0.55 0.00 0.00 175.29 175.43 1pk8 s ILE 347 N -1.15 1.20 0.30 -2.34 -4.36 -0.21 -4.90 121.20 109.74 1pk8 s ILE 347 Ca 0.49 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.60 1pk8 s ILE 347 Cb -0.39 -2.58 -0.09 0.00 1.25 0.00 0.00 42.46 40.65 1pk8 s ILE 347 CO 0.52 0.00 1.09 0.00 0.24 0.00 0.00 174.94 176.78 1pk8 s ALA 348 N -3.06 3.35 0.42 2.27 0.00 -1.26 -4.12 121.76 119.35 1pk8 s ALA 348 Ca 0.26 0.86 -0.23 0.00 0.00 0.00 0.00 51.96 52.85 1pk8 s ALA 348 Cb 0.06 -3.32 -0.09 0.00 0.00 0.00 0.00 23.12 19.77 1pk8 s ALA 348 CO 0.13 -0.17 1.04 -1.64 0.00 0.00 0.00 175.76 175.12 1pk8 s MET 349 N -1.62 4.09 0.22 0.00 -1.94 -1.26 -4.88 119.30 113.91 1pk8 s MET 349 Ca 0.47 1.46 0.03 0.00 -1.71 0.00 0.00 55.69 55.94 1pk8 s MET 349 Cb -0.30 -2.43 -0.05 0.00 2.01 0.00 0.00 34.83 34.06 1pk8 s MET 349 CO 0.39 -0.20 -0.01 -1.54 -0.01 0.00 0.00 175.02 173.65 1pk8 s SER 350 N -1.69 1.75 0.38 3.03 1.04 -1.26 -5.02 113.70 111.94 1pk8 s SER 350 Ca 0.60 -1.20 0.07 0.00 0.48 0.00 0.00 55.95 55.90 1pk8 s SER 350 Cb -0.20 0.02 0.77 0.00 0.10 0.00 0.00 66.02 66.71 1pk8 s SER 350 CO 0.25 -0.50 1.96 0.44 0.98 0.00 0.00 173.24 176.37 1pk8 h ASP 351 N 2.52 0.40 0.32 7.02 3.32 -1.98 0.17 116.42 128.18 1pk8 h ASP 351 Ca -0.38 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 56.60 1pk8 h ASP 351 Cb 1.22 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.67 1pk8 h ASP 351 CO 0.64 0.42 -0.15 -0.09 -1.72 0.00 0.00 179.24 178.34 1pk8 h ARG 352 N 0.43 -0.41 -0.67 3.56 2.43 -1.97 -1.23 114.38 116.52 1pk8 h ARG 352 Ca 0.10 0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.28 1pk8 h ARG 352 Cb 0.19 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.80 1pk8 h ARG 352 CO -0.00 -0.21 0.33 1.88 -1.51 0.00 0.00 179.97 180.46 1pk8 h TYR 353 N -0.52 0.95 -0.92 2.20 0.05 -1.83 -2.50 116.97 114.39 1pk8 h TYR 353 Ca -0.04 -0.04 0.01 0.00 0.05 0.00 0.00 58.73 58.71 1pk8 h TYR 353 Cb 0.39 -0.30 -0.05 0.00 1.01 0.00 0.00 36.73 37.79 1pk8 h TYR 353 CO -0.03 0.70 0.61 -0.22 -1.05 0.00 0.00 178.16 178.17 1pk8 h LYS 354 N 0.92 1.21 -0.16 4.88 3.64 -0.56 -2.40 116.57 124.11 1pk8 h LYS 354 Ca 0.23 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1pk8 h LYS 354 Cb 0.10 -0.27 -0.01 0.00 -0.41 0.00 0.00 32.23 31.64 1pk8 h LYS 354 CO -0.03 0.80 0.06 1.25 -2.27 0.00 0.00 179.45 179.26 1pk8 h LEU 355 N 1.24 0.22 -0.27 5.20 5.85 -0.93 0.53 115.31 127.15 1pk8 h LEU 355 Ca 0.34 -0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.95 1pk8 h LEU 355 Cb -0.13 -0.06 -0.08 0.00 0.37 0.00 0.00 40.66 40.77 1pk8 h LEU 355 CO -0.08 0.33 -0.39 -0.50 -0.34 0.00 0.00 178.44 177.46 1pk8 h TRP 356 N 0.09 -1.12 -0.05 1.25 6.55 -1.01 -1.41 115.95 120.26 1pk8 h TRP 356 Ca 0.05 0.05 -0.15 0.00 0.95 0.00 0.00 58.89 59.80 1pk8 h TRP 356 Cb 0.18 0.53 -0.01 0.00 -0.86 0.00 0.00 29.16 28.99 1pk8 h TRP 356 CO -0.01 -0.44 -0.65 -0.24 -1.05 0.00 0.00 178.44 176.05 1pk8 h VAL 357 N -0.38 1.42 -0.10 1.49 3.04 -1.42 -2.44 116.25 117.86 1pk8 h VAL 357 Ca 0.12 -2.11 -0.01 0.00 -1.01 0.00 0.00 66.70 63.69 1pk8 h VAL 357 Cb 0.59 2.10 -0.00 0.00 -2.01 0.00 0.00 31.29 31.96 1pk8 h VAL 357 CO -0.47 0.62 0.04 0.44 -1.01 0.00 0.00 177.57 177.19 1pk8 h ASP 358 N 0.14 0.13 -0.48 3.17 3.32 -0.52 -0.28 116.42 121.91 1pk8 h ASP 358 Ca -0.01 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 1pk8 h ASP 358 Cb 1.17 -0.03 -0.02 0.00 0.22 0.00 0.00 39.33 40.66 1pk8 h ASP 358 CO 0.10 0.25 0.22 0.71 -1.72 0.00 0.00 179.24 178.80 1pk8 h THR 359 N 0.01 1.19 -0.23 0.35 1.35 -1.29 -2.77 112.91 111.51 1pk8 h THR 359 Ca 0.03 -0.54 -0.09 0.00 -0.55 0.00 0.00 66.41 65.26 1pk8 h THR 359 Cb 0.16 0.67 -0.01 0.00 -1.73 0.00 0.00 68.15 67.23 1pk8 h THR 359 CO -0.00 0.21 -0.24 0.00 -0.25 0.00 0.00 175.52 175.24 1pk8 n SER 361 N -4.14 0.07 0.02 0.00 3.41 -0.12 -2.25 113.62 110.60 1pk8 n SER 361 Ca -0.00 0.52 0.12 0.00 -0.26 0.00 0.00 58.87 59.25 1pk8 n SER 361 Cb 0.39 -0.53 0.19 0.00 -0.26 0.00 0.00 64.21 63.99 1pk8 n SER 361 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1pk8 n GLU 362 N -1.58 0.10 -2.01 4.33 1.02 -1.07 0.39 120.64 121.83 1pk8 n GLU 362 Ca 0.02 0.02 -0.35 0.00 -0.02 0.00 0.00 57.16 56.82 1pk8 n GLU 362 Cb 0.10 -1.55 0.03 0.00 -0.02 0.00 0.00 31.44 29.99 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 -3.06 2.82 -1.46 -3.67 -4.36 -0.95 -2.80 121.20 107.71 1pk8 s ILE 363 Ca 0.09 0.49 -0.10 0.00 -0.26 0.00 0.00 60.65 60.87 1pk8 s ILE 363 Cb 0.16 -3.15 0.05 0.00 1.25 0.00 0.00 42.46 40.77 1pk8 s ILE 363 CO 0.72 -0.13 0.86 0.49 0.24 0.00 0.00 174.94 177.12 1pk8 n PHE 364 N -1.69 -2.28 -0.32 1.37 3.72 -1.26 -1.57 117.46 115.43 1pk8 n PHE 364 Ca 0.13 0.77 0.00 0.00 -0.05 0.00 0.00 57.45 58.30 1pk8 n PHE 364 Cb 0.50 -4.16 0.00 0.00 -0.94 0.00 0.00 39.48 34.88 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 1.21 0.00 1.37 0.00 -1.23 -4.39 105.19 100.51 1pk8 n GLY 365 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 3.30 3.36 -0.02 0.00 -0.61 -5.03 105.19 104.20 1pk8 n GLY 366 Ca 0.00 -1.31 -0.37 0.00 0.00 0.00 0.00 46.02 44.34 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 3.75 0.29 0.99 1.43 0.16 -4.67 118.68 120.63 1pk8 s LEU 367 Ca 0.00 -0.61 0.04 0.00 -1.03 0.00 0.00 54.13 52.53 1pk8 s LEU 367 Cb 0.00 -1.88 0.44 0.00 0.03 0.00 0.00 46.19 44.78 1pk8 s LEU 367 CO 0.00 -0.16 1.72 0.44 0.23 0.00 0.00 176.35 178.58 1pk8 h ASP 368 N 8.23 0.39 -3.21 2.29 3.32 -1.92 -3.41 116.42 122.12 1pk8 h ASP 368 Ca -0.33 -0.14 -0.51 0.00 0.02 0.00 0.00 57.03 56.07 1pk8 h ASP 368 Cb 1.14 -0.11 -0.37 0.00 0.22 0.00 0.00 39.33 40.21 1pk8 h ASP 368 CO 0.60 0.69 -0.80 -0.63 -1.72 0.00 0.00 179.24 177.38 1pk8 s ILE 369 N -4.38 0.91 0.34 0.35 1.01 -1.26 -1.72 121.20 116.44 1pk8 s ILE 369 Ca -0.06 -0.22 -0.18 0.00 0.00 0.00 0.00 60.65 60.19 1pk8 s ILE 369 Cb 0.14 -0.94 0.04 0.00 0.01 0.00 0.00 42.46 41.70 1pk8 s ILE 369 CO 0.78 0.35 0.76 0.00 0.00 0.00 0.00 174.94 176.83 1pk8 s ALA 371 N -3.04 -1.82 -0.16 0.00 0.00 -0.95 -0.80 121.76 114.99 1pk8 s ALA 371 Ca 0.13 1.62 -0.05 0.00 0.00 0.00 0.00 51.96 53.67 1pk8 s ALA 371 Cb -0.05 -0.59 -0.03 0.00 0.00 0.00 0.00 23.12 22.45 1pk8 s ALA 371 CO 0.09 -0.34 -0.01 0.08 0.00 0.00 0.00 175.76 175.59 1pk8 s VAL 372 N -0.58 4.14 -0.19 0.00 1.01 0.93 -0.91 120.40 124.80 1pk8 s VAL 372 Ca -0.05 -0.27 -0.09 0.00 0.00 0.00 0.00 61.98 61.57 1pk8 s VAL 372 Cb -0.02 -2.83 -0.05 0.00 0.00 0.00 0.00 36.38 33.48 1pk8 s VAL 372 CO 0.05 0.48 0.11 -1.61 0.00 0.00 0.00 175.10 174.13 1pk8 s GLU 373 N 0.39 4.06 0.06 2.72 2.02 0.86 -0.86 118.70 127.95 1pk8 s GLU 373 Ca -0.02 -0.25 0.02 0.00 0.02 0.00 0.00 54.97 54.74 1pk8 s GLU 373 Cb -0.14 -3.34 -0.03 0.00 0.10 0.00 0.00 34.13 30.72 1pk8 s GLU 373 CO 0.02 0.33 -0.07 0.00 0.02 0.00 0.00 175.26 175.56 1pk8 s ALA 374 N 0.25 0.73 -0.15 5.21 0.00 0.58 -1.34 121.76 127.04 1pk8 s ALA 374 Ca 0.07 -1.00 -0.02 0.00 0.00 0.00 0.00 51.96 51.02 1pk8 s ALA 374 Cb -0.11 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.08 1pk8 s ALA 374 CO -0.01 -0.11 -0.08 -0.51 0.00 0.00 0.00 175.76 175.05 1pk8 s LEU 375 N -2.16 2.97 -0.53 0.00 1.43 0.24 0.24 118.68 120.87 1pk8 s LEU 375 Ca -0.01 -0.24 -0.16 0.00 -1.03 0.00 0.00 54.13 52.68 1pk8 s LEU 375 Cb -0.04 -1.70 0.11 0.00 0.03 0.00 0.00 46.19 44.60 1pk8 s LEU 375 CO -0.02 0.16 0.51 -2.28 0.23 0.00 0.00 176.35 174.95 1pk8 s HIS 376 N 0.42 3.21 0.81 0.29 5.65 0.67 -0.49 115.29 125.85 1pk8 s HIS 376 Ca -0.07 -1.16 -0.12 0.00 0.25 0.00 0.00 55.06 53.96 1pk8 s HIS 376 Cb -0.15 -3.70 0.09 0.00 -1.18 0.00 0.00 32.58 27.64 1pk8 s HIS 376 CO 0.04 -1.01 1.15 0.20 -0.65 0.00 0.00 174.74 174.47 1pk8 s GLY 377 N 3.38 1.90 0.48 1.59 0.00 0.11 0.16 107.32 114.95 1pk8 s GLY 377 Ca 0.05 0.60 0.23 0.00 0.00 0.00 0.00 44.72 45.59 1pk8 s GLY 377 CO 0.04 0.99 2.01 0.50 0.00 0.00 0.00 173.10 176.64 1pk8 h LYS 378 N -1.13 0.00 0.00 2.90 1.57 -1.71 -1.69 116.57 116.51 1pk8 h LYS 378 Ca -0.45 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1pk8 h LYS 378 Cb 1.27 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.58 1pk8 h LYS 378 CO 0.47 0.17 0.00 -0.40 -0.57 0.00 0.00 179.45 179.12 1pk8 n ASP 379 N -3.82 0.00 0.00 0.86 5.75 -1.26 -4.84 116.55 113.24 1pk8 n ASP 379 Ca -0.02 -1.55 0.00 0.00 -0.01 0.00 0.00 54.79 53.21 1pk8 n ASP 379 Cb 0.27 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.36 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 0.40 1.40 3.78 6.12 0.00 -0.63 -5.05 105.19 111.20 1pk8 n GLY 380 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.41 4.56 0.09 1.61 0.52 -1.25 -4.83 118.95 119.24 1pk8 s ARG 381 Ca 0.00 1.16 -0.02 0.00 -0.52 0.00 0.00 55.73 56.34 1pk8 s ARG 381 Cb 0.00 -3.24 -0.05 0.00 0.52 0.00 0.00 34.95 32.18 1pk8 s ARG 381 CO 0.00 0.56 0.29 -0.51 0.02 0.00 0.00 175.30 175.66 1pk8 s ASP 382 N -1.17 6.42 -0.13 0.23 1.01 -1.26 0.07 116.67 121.84 1pk8 s ASP 382 Ca 0.36 0.42 -0.04 0.00 0.71 0.00 0.00 52.55 54.01 1pk8 s ASP 382 Cb -0.23 -2.02 0.05 0.00 1.01 0.00 0.00 42.92 41.73 1pk8 s ASP 382 CO 0.26 0.12 0.08 -1.00 0.21 0.00 0.00 175.17 174.84 1pk8 s HIS 383 N -1.57 0.16 -0.12 4.23 3.76 0.35 -4.82 115.29 117.28 1pk8 s HIS 383 Ca 0.37 -0.14 -0.28 0.00 -0.15 0.00 0.00 55.06 54.86 1pk8 s HIS 383 Cb -0.13 -0.63 -0.01 0.00 1.11 0.00 0.00 32.58 32.92 1pk8 s HIS 383 CO 0.26 -0.41 0.96 0.42 -0.85 0.00 0.00 174.74 175.11 1pk8 s ILE 384 N 2.15 4.81 -0.06 0.60 1.01 0.99 0.81 121.20 131.52 1pk8 s ILE 384 Ca 0.03 1.92 0.03 0.00 0.00 0.00 0.00 60.65 62.63 1pk8 s ILE 384 Cb -0.15 -4.26 -0.04 0.00 0.01 0.00 0.00 42.46 38.02 1pk8 s ILE 384 CO -0.07 0.01 0.09 2.30 0.00 0.00 0.00 174.94 177.27 1pk8 n ILE 385 N 4.59 0.00 -3.61 2.92 -5.35 -0.45 -0.32 119.36 117.14 1pk8 n ILE 385 Ca 0.07 -0.21 -0.07 0.00 -0.27 0.00 0.00 62.75 62.27 1pk8 n ILE 385 Cb 0.49 0.65 -0.05 0.00 -1.74 0.00 0.00 39.64 38.99 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 -1.84 0.38 -0.09 6.28 2.12 -1.19 -5.01 118.70 119.34 1pk8 s GLU 386 Ca -0.00 0.15 0.04 0.00 0.36 0.00 0.00 54.97 55.51 1pk8 s GLU 386 Cb 0.02 0.18 -0.01 0.00 0.26 0.00 0.00 34.13 34.58 1pk8 s GLU 386 CO 0.12 -0.11 -0.21 0.54 -0.54 0.00 0.00 175.26 175.06 1pk8 s VAL 387 N -0.85 2.34 0.13 3.70 0.11 -1.26 -0.10 120.40 124.48 1pk8 s VAL 387 Ca 0.03 -0.93 0.08 0.00 -2.93 0.00 0.00 61.98 58.22 1pk8 s VAL 387 Cb -0.01 -1.91 -0.04 0.00 -1.53 0.00 0.00 36.38 32.89 1pk8 s VAL 387 CO -0.03 0.56 -0.10 0.68 -3.33 0.00 0.00 175.10 172.87 1pk8 s VAL 388 N 0.14 3.29 0.00 2.04 -7.23 -0.08 -4.95 120.40 113.61 1pk8 s VAL 388 Ca -0.11 -1.40 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 1pk8 s VAL 388 Cb -0.16 -2.57 0.00 0.00 0.56 0.00 0.00 36.38 34.21 1pk8 s VAL 388 CO 0.06 0.04 0.00 0.61 -0.31 0.00 0.00 175.10 175.51 1pk8 n GLY 389 N 0.50 1.25 0.00 2.32 0.00 -1.26 -2.23 105.19 105.77 1pk8 n GLY 389 Ca -0.13 -1.62 0.08 0.00 0.00 0.00 0.00 46.02 44.35 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 -0.97 1.61 3.41 -1.13 -1.94 113.62 114.60 1pk8 n SER 390 Ca 0.00 -0.62 0.08 0.00 -0.26 0.00 0.00 58.87 58.07 1pk8 n SER 390 Cb 0.00 0.00 0.24 0.00 -0.26 0.00 0.00 64.21 64.19 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 -0.93 3.58 -4.73 4.04 3.41 -1.25 -4.18 113.62 113.56 1pk8 n SER 391 Ca 0.11 -2.23 -0.42 0.00 -0.26 0.00 0.00 58.87 56.07 1pk8 n SER 391 Cb 0.05 -0.39 -0.02 0.00 -0.26 0.00 0.00 64.21 63.60 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 0.68 2.57 -2.13 4.33 3.85 -0.82 -4.81 117.12 120.79 1pk8 n MET 392 Ca 0.18 0.91 -0.39 0.00 -1.00 0.00 0.00 57.70 57.40 1pk8 n MET 392 Cb 0.61 -2.66 -0.01 0.00 -1.05 0.00 0.00 33.22 30.11 1pk8 n MET 392 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1pk8 s PRO 393 N -0.65 4.09 -0.08 3.17 0.04 -1.26 -4.98 135.00 135.33 1pk8 s PRO 393 Ca 0.64 2.08 -0.22 0.00 0.04 0.00 0.00 61.00 63.54 1pk8 s PRO 393 Cb -0.52 -2.82 -0.04 0.00 0.04 0.00 0.00 34.50 31.16 1pk8 s PRO 393 CO 0.50 -0.37 0.66 -0.51 0.04 0.00 0.00 177.00 177.32 1pk8 s LEU 394 N -2.29 4.31 0.00 -3.56 1.43 -1.26 -5.05 118.68 112.26 1pk8 s LEU 394 Ca 0.55 1.12 0.03 0.00 -1.03 0.00 0.00 54.13 54.79 1pk8 s LEU 394 Cb -0.36 -3.01 -0.01 0.00 0.03 0.00 0.00 46.19 42.83 1pk8 s LEU 394 CO 0.47 -0.10 0.09 2.30 0.23 0.00 0.00 176.35 179.34 1pk8 n ILE 395 N 3.77 0.00 -4.72 -0.59 -5.35 -1.26 -4.96 119.36 106.25 1pk8 n ILE 395 Ca -0.02 -2.30 0.00 0.00 -0.27 0.00 0.00 62.75 60.16 1pk8 n ILE 395 Cb 0.51 0.70 0.00 0.00 -1.74 0.00 0.00 39.64 39.11 1pk8 n ILE 395 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1pk8 n GLY 396 N -0.74 -1.07 0.00 3.28 0.00 -1.26 -4.15 105.19 101.24 1pk8 n GLY 396 Ca -0.11 -1.10 0.12 0.00 0.00 0.00 0.00 46.02 44.94 1pk8 n GLY 396 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pk8 n ASP 397 N -1.92 0.00 -1.08 1.61 8.00 -1.26 -3.90 116.55 118.00 1pk8 n ASP 397 Ca 0.00 -0.49 -0.04 0.00 0.71 0.00 0.00 54.79 54.97 1pk8 n ASP 397 Cb 0.00 -0.12 0.16 0.00 -0.02 0.00 0.00 41.12 41.14 1pk8 n ASP 397 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1pk8 n HIS 398 N -1.12 0.92 -0.29 1.24 8.25 -1.26 -4.79 115.22 118.17 1pk8 n HIS 398 Ca 0.16 -1.73 0.01 0.00 -0.26 0.00 0.00 57.72 55.90 1pk8 n HIS 398 Cb 0.13 -0.34 0.14 0.00 1.12 0.00 0.00 29.99 31.04 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 1.31 0.84 -0.68 -0.41 4.20 -1.72 -1.50 115.11 117.14 1pk8 h GLN 399 Ca 0.14 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.73 1pk8 h GLN 399 Cb 1.24 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.80 1pk8 h GLN 399 CO 0.29 0.56 0.16 -0.44 -0.67 0.00 0.00 178.83 178.72 1pk8 h ASP 400 N 0.87 1.05 -0.21 1.46 5.19 -1.93 -1.68 116.42 121.17 1pk8 h ASP 400 Ca 0.37 -0.24 0.00 0.00 -0.62 0.00 0.00 57.03 56.54 1pk8 h ASP 400 Cb 0.23 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 1pk8 h ASP 400 CO -0.20 1.02 0.13 -0.08 -3.12 0.00 0.00 179.24 176.99 1pk8 h GLU 401 N 1.03 0.27 -0.39 3.56 4.81 -1.72 -1.38 114.58 120.76 1pk8 h GLU 401 Ca 0.21 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.46 1pk8 h GLU 401 Cb 0.38 -0.06 -0.04 0.00 0.63 0.00 0.00 28.75 29.67 1pk8 h GLU 401 CO 0.00 0.18 0.18 -0.44 -0.73 0.00 0.00 179.01 178.20 1pk8 h ASP 402 N 0.27 0.24 -0.78 1.04 3.32 -1.07 0.32 116.42 119.76 1pk8 h ASP 402 Ca 0.08 0.03 0.05 0.00 0.02 0.00 0.00 57.03 57.21 1pk8 h ASP 402 Cb -0.03 -0.01 -0.05 0.00 0.22 0.00 0.00 39.33 39.46 1pk8 h ASP 402 CO -0.02 0.18 0.51 0.11 -1.72 0.00 0.00 179.24 178.30 1pk8 h LYS 403 N 0.36 0.85 -0.16 3.56 1.57 -1.03 0.57 116.57 122.29 1pk8 h LYS 403 Ca 0.17 -0.05 -0.15 0.00 -1.87 0.00 0.00 60.65 58.74 1pk8 h LYS 403 Cb 0.10 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 1pk8 h LYS 403 CO -0.14 0.56 -0.55 1.96 -0.57 0.00 0.00 179.45 180.71 1pk8 h GLN 404 N 0.87 0.47 -0.45 3.15 4.20 -0.08 -0.47 115.11 122.80 1pk8 h GLN 404 Ca 0.33 -0.30 -0.12 0.00 0.06 0.00 0.00 58.65 58.62 1pk8 h GLN 404 Cb 0.18 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.98 1pk8 h GLN 404 CO -0.11 0.90 -0.20 -0.07 -0.67 0.00 0.00 178.83 178.68 1pk8 h LEU 405 N 0.36 0.95 -1.19 1.46 3.38 0.13 -0.86 115.31 119.54 1pk8 h LEU 405 Ca 0.01 -0.40 -0.01 0.00 0.09 0.00 0.00 57.88 57.57 1pk8 h LEU 405 Cb 1.08 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1pk8 h LEU 405 CO 0.10 1.13 0.37 0.40 0.09 0.00 0.00 178.44 180.54 1pk8 h ILE 406 N 0.76 1.20 -0.16 1.22 2.04 0.29 0.19 117.51 123.06 1pk8 h ILE 406 Ca 0.10 -0.50 -0.02 0.00 1.00 0.00 0.00 64.86 65.45 1pk8 h ILE 406 Cb 0.77 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 1pk8 h ILE 406 CO 0.06 0.22 0.03 0.58 0.00 0.00 0.00 178.15 179.04 1pk8 h VAL 407 N 0.94 1.21 -0.15 1.67 2.07 -0.64 0.09 116.25 121.44 1pk8 h VAL 407 Ca 0.24 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 67.12 1pk8 h VAL 407 Cb 0.02 1.37 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 1pk8 h VAL 407 CO -0.04 0.20 -0.15 -0.33 0.02 0.00 0.00 177.57 177.28 1pk8 h GLU 408 N 0.05 -0.16 -0.33 1.57 5.08 -0.62 -0.36 114.58 119.80 1pk8 h GLU 408 Ca 0.05 0.01 0.06 0.00 -1.00 0.00 0.00 59.36 58.48 1pk8 h GLU 408 Cb 0.29 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 1pk8 h GLU 408 CO 0.00 -0.11 -0.03 1.25 -1.00 0.00 0.00 179.01 179.12 1pk8 h LEU 409 N -0.17 -0.21 0.03 1.33 5.85 -0.78 -2.23 115.31 119.12 1pk8 h LEU 409 Ca 0.10 0.08 -0.00 0.00 0.84 0.00 0.00 57.88 58.90 1pk8 h LEU 409 Cb 0.32 0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.51 1pk8 h LEU 409 CO -0.25 -0.07 -0.01 0.58 -0.34 0.00 0.00 178.44 178.35 1pk8 h VAL 410 N 0.05 1.14 -0.98 1.05 2.07 -0.59 -2.12 116.25 116.86 1pk8 h VAL 410 Ca 0.16 -0.50 0.14 0.00 0.82 0.00 0.00 66.70 67.31 1pk8 h VAL 410 Cb 0.23 1.47 -0.09 0.00 -1.52 0.00 0.00 31.29 31.38 1pk8 h VAL 410 CO -0.30 0.13 0.60 0.58 0.02 0.00 0.00 177.57 178.60 1pk8 h VAL 411 N -0.25 0.85 -0.24 2.57 2.07 -0.93 0.29 116.25 120.60 1pk8 h VAL 411 Ca -0.00 -0.31 -0.16 0.00 0.82 0.00 0.00 66.70 67.04 1pk8 h VAL 411 Cb 0.24 -0.12 -0.00 0.00 -1.52 0.00 0.00 31.29 29.88 1pk8 h VAL 411 CO 0.01 0.16 -0.51 0.78 0.02 0.00 0.00 177.57 178.02 1pk8 h ASN 412 N 0.90 0.76 -0.41 0.57 2.35 -1.33 0.29 115.58 118.72 1pk8 h ASN 412 Ca 0.51 -0.39 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 1pk8 h ASN 412 Cb 0.59 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.73 1pk8 h ASN 412 CO -0.30 1.13 0.11 0.11 -1.65 0.00 0.00 177.43 176.84 1pk8 h LYS 413 N 0.54 0.64 -0.76 0.81 1.79 -0.54 -2.63 116.57 116.43 1pk8 h LYS 413 Ca 0.02 -0.15 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1pk8 h LYS 413 Cb 1.08 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 31.60 1pk8 h LYS 413 CO 0.11 0.65 0.48 0.52 -1.08 0.00 0.00 179.45 180.13 1pk8 h MET 414 N 0.51 1.01 -0.81 3.15 2.86 -0.32 -1.89 114.93 119.44 1pk8 h MET 414 Ca 0.13 -0.07 0.14 0.00 -2.06 0.00 0.00 59.70 57.84 1pk8 h MET 414 Cb 0.29 -0.22 -0.06 0.00 0.06 0.00 0.00 31.60 31.67 1pk8 h MET 414 CO -0.00 0.69 0.53 1.15 1.06 0.00 0.00 176.91 180.34 1pk8 h THR 415 N 1.03 0.83 -0.38 2.22 2.02 -0.61 -2.95 112.91 115.07 1pk8 h THR 415 Ca 0.28 -0.19 -0.72 0.00 0.77 0.00 0.00 66.41 66.54 1pk8 h THR 415 Cb -0.08 0.22 -0.07 0.00 -1.74 0.00 0.00 68.15 66.48 1pk8 h THR 415 CO -0.06 0.10 2.87 0.00 0.37 0.00 0.00 175.52 178.81 1pk8 n GLN 416 N -4.51 3.13 0.00 6.66 6.02 -0.71 -5.02 117.38 122.95 1pk8 n GLN 416 Ca 0.15 -2.84 0.00 0.00 -0.01 0.00 0.00 57.00 54.31 1pk8 n GLN 416 Cb 0.48 -3.16 0.00 0.00 1.02 0.00 0.00 30.24 28.59 1pk8 n GLN 416 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05