#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 3.35 0.00 0.00 0.00 -1.26 -4.72 121.76 119.14 1pk8 s ALA 113 Ca 0.00 1.13 -0.26 0.00 0.00 0.00 0.00 51.96 52.83 1pk8 s ALA 113 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 23.12 19.64 1pk8 s ALA 113 CO 0.00 -0.58 0.82 1.03 0.00 0.00 0.00 175.76 177.04 1pk8 s ARG 114 N -1.95 4.51 -0.19 0.00 1.81 -0.32 -4.85 118.95 117.97 1pk8 s ARG 114 Ca 0.52 1.14 -0.17 0.00 -1.72 0.00 0.00 55.73 55.50 1pk8 s ARG 114 Cb -0.36 -3.42 -0.04 0.00 -0.45 0.00 0.00 34.95 30.68 1pk8 s ARG 114 CO 0.47 0.11 0.44 0.08 -0.68 0.00 0.00 175.30 175.72 1pk8 s VAL 115 N 0.52 5.17 -0.23 3.52 1.01 -1.26 -1.16 120.40 127.97 1pk8 s VAL 115 Ca 0.43 0.80 -0.02 0.00 0.00 0.00 0.00 61.98 63.18 1pk8 s VAL 115 Cb -0.20 -3.77 0.01 0.00 0.00 0.00 0.00 36.38 32.43 1pk8 s VAL 115 CO 0.23 0.24 -0.07 -0.22 0.00 0.00 0.00 175.10 175.29 1pk8 s LEU 116 N 1.32 2.97 -0.19 3.92 2.96 -0.31 0.63 118.68 129.98 1pk8 s LEU 116 Ca 0.21 -0.67 -0.17 0.00 -0.22 0.00 0.00 54.13 53.28 1pk8 s LEU 116 Cb -0.15 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1pk8 s LEU 116 CO 0.09 -0.08 0.43 -0.22 -1.32 0.00 0.00 176.35 175.25 1pk8 s LEU 117 N 1.38 4.18 -0.20 -0.68 2.96 -0.11 -1.25 118.68 124.96 1pk8 s LEU 117 Ca 0.03 0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 54.50 1pk8 s LEU 117 Cb -0.15 -2.57 -0.01 0.00 0.50 0.00 0.00 46.19 43.96 1pk8 s LEU 117 CO -0.05 -0.08 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.16 1pk8 s VAL 118 N 1.22 3.34 -0.53 1.68 1.01 0.42 -0.53 120.40 127.02 1pk8 s VAL 118 Ca 0.21 -0.52 -0.18 0.00 0.00 0.00 0.00 61.98 61.49 1pk8 s VAL 118 Cb -0.15 -2.49 0.08 0.00 0.00 0.00 0.00 36.38 33.82 1pk8 s VAL 118 CO 0.08 0.45 0.60 -0.63 0.00 0.00 0.00 175.10 175.60 1pk8 s ILE 119 N 1.19 4.94 0.19 2.22 1.01 0.44 -2.14 121.20 129.05 1pk8 s ILE 119 Ca 0.02 -0.79 -0.23 0.00 0.00 0.00 0.00 60.65 59.65 1pk8 s ILE 119 Cb -0.14 -4.32 0.05 0.00 0.01 0.00 0.00 42.46 38.05 1pk8 s ILE 119 CO -0.02 -0.86 0.69 -0.62 0.00 0.00 0.00 174.94 174.14 1pk8 s ASP 120 N 2.99 -0.41 0.77 3.58 -1.08 -0.48 -1.30 116.67 120.74 1pk8 s ASP 120 Ca 0.11 -0.27 -0.11 0.00 -0.52 0.00 0.00 52.55 51.77 1pk8 s ASP 120 Cb -0.22 0.63 0.05 0.00 -1.46 0.00 0.00 42.92 41.92 1pk8 s ASP 120 CO 0.09 -1.09 1.09 -1.61 0.52 0.00 0.00 175.17 174.17 1pk8 s GLU 121 N -3.74 2.30 0.15 4.34 2.02 -1.26 -3.50 118.70 119.01 1pk8 s GLU 121 Ca 0.06 1.15 0.19 0.00 0.02 0.00 0.00 54.97 56.39 1pk8 s GLU 121 Cb -0.03 -1.90 0.80 0.00 0.10 0.00 0.00 34.13 33.10 1pk8 s GLU 121 CO -0.04 -1.61 1.57 -0.35 0.02 0.00 0.00 175.26 174.86 1pk8 n PRO 122 N -3.50 0.11 -0.25 0.39 -0.04 -1.26 -3.74 135.00 126.70 1pk8 n PRO 122 Ca 0.09 0.37 0.19 0.00 -0.04 0.00 0.00 63.50 64.12 1pk8 n PRO 122 Cb 0.53 -1.71 0.51 0.00 -0.04 0.00 0.00 33.50 32.79 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 0.55 -3.38 0.54 2.76 -2.06 -3.38 115.15 110.19 1pk8 h HIS 123 Ca 0.00 0.02 -0.64 0.00 -2.20 0.00 0.00 60.37 57.55 1pk8 h HIS 123 Cb 0.28 -0.17 -0.21 0.00 1.55 0.00 0.00 27.41 28.85 1pk8 h HIS 123 CO 0.00 0.14 -0.65 0.99 -1.30 0.00 0.00 177.93 177.11 1pk8 s THR 124 N -5.43 4.07 -1.03 6.26 2.01 -1.25 -5.04 115.64 115.23 1pk8 s THR 124 Ca -0.08 -0.28 -0.13 0.00 0.31 0.00 0.00 61.69 61.51 1pk8 s THR 124 Cb 0.23 -2.83 0.21 0.00 0.01 0.00 0.00 72.50 70.13 1pk8 s THR 124 CO 0.78 0.45 1.10 -0.62 -0.69 0.00 0.00 174.62 175.64 1pk8 s ASP 125 N 0.72 7.01 0.47 3.53 2.15 -1.26 -4.90 116.67 124.39 1pk8 s ASP 125 Ca 0.00 -2.97 0.14 0.00 0.43 0.00 0.00 52.55 50.15 1pk8 s ASP 125 Cb -0.14 -2.28 1.10 0.00 -0.30 0.00 0.00 42.92 41.30 1pk8 s ASP 125 CO 0.02 -0.59 2.05 -0.50 -0.17 0.00 0.00 175.17 175.98 1pk8 h TRP 126 N 7.43 0.27 -0.65 -5.34 4.06 -1.96 -2.44 115.95 117.32 1pk8 h TRP 126 Ca 0.19 0.01 0.13 0.00 2.06 0.00 0.00 58.89 61.28 1pk8 h TRP 126 Cb 0.94 -0.09 -0.10 0.00 -1.00 0.00 0.00 29.16 28.91 1pk8 h TRP 126 CO 0.98 0.15 0.11 0.00 -3.56 0.00 0.00 178.44 176.12 1pk8 h ALA 127 N 1.80 0.77 -0.61 1.49 0.00 -1.91 -0.11 119.26 120.69 1pk8 h ALA 127 Ca 0.16 0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.26 1pk8 h ALA 127 Cb 0.29 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1pk8 h ALA 127 CO -0.03 -0.34 0.37 -0.22 0.00 0.00 0.00 179.25 179.03 1pk8 h LYS 128 N 0.23 0.71 0.00 0.00 3.64 -1.86 -0.91 116.57 118.37 1pk8 h LYS 128 Ca 0.35 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 59.64 1pk8 h LYS 128 Cb 0.57 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 32.22 1pk8 h LYS 128 CO -0.47 0.47 -0.25 1.88 -2.27 0.00 0.00 179.45 178.80 1pk8 h TYR 129 N 0.73 0.00 -0.01 1.91 0.05 -1.13 -2.69 116.97 115.83 1pk8 h TYR 129 Ca 0.25 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.03 1pk8 h TYR 129 Cb 0.04 0.00 0.00 0.00 1.01 0.00 0.00 36.73 37.78 1pk8 h TYR 129 CO -0.06 0.25 -0.36 1.19 -1.05 0.00 0.00 178.16 178.13 1pk8 n PHE 130 N -3.66 0.00 -1.64 4.88 3.72 -0.46 -4.92 117.46 115.38 1pk8 n PHE 130 Ca -0.01 0.00 -0.48 0.00 -0.05 0.00 0.00 57.45 56.91 1pk8 n PHE 130 Cb 0.37 -0.04 -0.05 0.00 -0.94 0.00 0.00 39.48 38.82 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 -0.19 1.80 -0.86 -1.08 4.81 -0.39 -1.51 118.16 120.74 1pk8 n LYS 131 Ca 0.11 0.65 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 1pk8 n LYS 131 Cb 0.43 -2.38 0.00 0.00 0.02 0.00 0.00 35.03 33.10 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 3.18 0.37 3.72 3.14 0.00 -1.26 -4.97 105.19 109.37 1pk8 n GLY 132 Ca 0.18 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.80 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 -0.76 4.46 0.13 1.61 -0.14 -0.57 -5.04 119.74 119.44 1pk8 s LYS 133 Ca 0.00 0.99 0.10 0.00 -1.36 0.00 0.00 55.97 55.70 1pk8 s LYS 133 Cb 0.00 -3.45 -0.04 0.00 -1.68 0.00 0.00 37.83 32.66 1pk8 s LYS 133 CO 0.00 0.05 -0.23 0.15 -0.76 0.00 0.00 175.35 174.56 1pk8 s LYS 134 N 0.81 1.29 -0.22 1.68 1.02 -1.26 -3.82 119.74 119.24 1pk8 s LYS 134 Ca 0.40 -1.31 -0.17 0.00 0.02 0.00 0.00 55.97 54.91 1pk8 s LYS 134 Cb -0.18 -1.62 -0.03 0.00 -0.52 0.00 0.00 37.83 35.47 1pk8 s LYS 134 CO 0.20 0.37 0.45 0.42 -0.92 0.00 0.00 175.35 175.87 1pk8 s ILE 135 N -1.33 5.14 -0.67 2.17 1.01 0.16 -3.92 121.20 123.76 1pk8 s ILE 135 Ca 0.12 0.79 0.00 0.00 0.00 0.00 0.00 60.65 61.56 1pk8 s ILE 135 Cb -0.09 -3.77 0.00 0.00 0.01 0.00 0.00 42.46 38.61 1pk8 s ILE 135 CO 0.06 0.18 0.00 1.41 0.00 0.00 0.00 174.94 176.59 1pk8 n HIS 136 N 4.91 0.00 0.00 3.97 8.25 -1.26 -1.81 115.22 129.28 1pk8 n HIS 136 Ca -0.07 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.39 1pk8 n HIS 136 Cb 0.51 -1.91 0.00 0.00 1.12 0.00 0.00 29.99 29.71 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 -0.65 3.03 0.00 -1.41 0.00 -1.25 -4.76 105.19 100.14 1pk8 n GLY 137 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.07 1.35 -2.87 1.61 0.00 -1.18 -4.90 120.64 113.58 1pk8 n GLU 138 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 57.16 56.75 1pk8 n GLU 138 Cb 0.00 -0.93 -0.04 0.00 0.00 0.00 0.00 31.44 30.48 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 -1.73 4.89 0.42 3.84 1.09 -0.75 -4.89 121.20 124.07 1pk8 s ILE 139 Ca 0.00 1.69 -0.13 0.00 -1.10 0.00 0.00 60.65 61.11 1pk8 s ILE 139 Cb 0.00 -4.16 -0.07 0.00 -1.06 0.00 0.00 42.46 37.17 1pk8 s ILE 139 CO 0.00 0.06 0.83 -1.81 -0.10 0.00 0.00 174.94 173.92 1pk8 s ASP 140 N 1.09 6.61 -0.20 3.58 1.01 -1.26 0.36 116.67 127.85 1pk8 s ASP 140 Ca 0.40 1.29 -0.04 0.00 0.71 0.00 0.00 52.55 54.91 1pk8 s ASP 140 Cb -0.17 -2.39 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 1pk8 s ASP 140 CO 0.15 -0.41 -0.02 -0.63 0.21 0.00 0.00 175.17 174.47 1pk8 s ILE 141 N -2.36 3.71 -0.26 0.77 1.01 -1.25 -1.17 121.20 121.65 1pk8 s ILE 141 Ca 0.54 -0.39 -0.10 0.00 0.00 0.00 0.00 60.65 60.70 1pk8 s ILE 141 Cb -0.10 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.65 1pk8 s ILE 141 CO 0.28 0.43 0.14 -0.75 0.00 0.00 0.00 174.94 175.04 1pk8 s LYS 142 N 1.14 3.87 -0.17 2.79 2.47 -0.31 -4.94 119.74 124.60 1pk8 s LYS 142 Ca 0.02 -0.37 -0.12 0.00 -1.56 0.00 0.00 55.97 53.94 1pk8 s LYS 142 Cb -0.14 -3.51 -0.05 0.00 -1.46 0.00 0.00 37.83 32.66 1pk8 s LYS 142 CO 0.01 -0.13 0.24 0.08 0.16 0.00 0.00 175.35 175.70 1pk8 s VAL 143 N 1.55 5.34 -0.03 4.02 1.01 -1.26 -1.17 120.40 129.87 1pk8 s VAL 143 Ca 0.07 0.43 0.07 0.00 0.00 0.00 0.00 61.98 62.54 1pk8 s VAL 143 Cb -0.15 -3.57 -0.02 0.00 0.00 0.00 0.00 36.38 32.63 1pk8 s VAL 143 CO 0.07 0.42 -0.22 -1.61 0.00 0.00 0.00 175.10 173.77 1pk8 s GLU 144 N 0.31 2.22 -0.04 2.72 0.41 -0.38 -4.92 118.70 119.03 1pk8 s GLU 144 Ca 0.14 -0.86 -0.04 0.00 -0.41 0.00 0.00 54.97 53.80 1pk8 s GLU 144 Cb -0.12 -2.15 0.01 0.00 -1.78 0.00 0.00 34.13 30.09 1pk8 s GLU 144 CO 0.02 0.58 0.11 -1.14 -0.49 0.00 0.00 175.26 174.34 1pk8 s GLN 145 N -0.70 0.13 0.02 1.61 0.74 -1.26 -0.43 119.66 119.77 1pk8 s GLN 145 Ca 0.11 0.15 -0.29 0.00 0.05 0.00 0.00 55.36 55.38 1pk8 s GLN 145 Cb -0.10 0.06 0.10 0.00 1.10 0.00 0.00 33.01 34.17 1pk8 s GLN 145 CO -0.00 -0.02 1.03 0.00 -0.55 0.00 0.00 175.29 175.75 1pk8 s ALA 146 N 0.05 -1.87 0.37 1.58 0.00 -0.91 -4.98 121.76 116.00 1pk8 s ALA 146 Ca -0.00 0.75 -0.02 0.00 0.00 0.00 0.00 51.96 52.69 1pk8 s ALA 146 Cb -0.01 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 1pk8 s ALA 146 CO 0.00 -0.85 0.62 -1.21 0.00 0.00 0.00 175.76 174.32 1pk8 s GLU 147 N -2.96 3.54 0.29 0.00 2.02 -1.23 -1.38 118.70 118.98 1pk8 s GLU 147 Ca 0.10 -0.11 0.02 0.00 0.02 0.00 0.00 54.97 55.00 1pk8 s GLU 147 Cb -0.00 -2.58 0.59 0.00 0.10 0.00 0.00 34.13 32.24 1pk8 s GLU 147 CO -0.04 0.06 1.83 0.74 0.02 0.00 0.00 175.26 177.87 1pk8 h PHE 148 N 0.80 1.13 0.00 1.61 0.04 -1.92 -1.84 116.94 116.76 1pk8 h PHE 148 Ca -0.48 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.32 1pk8 h PHE 148 Cb 1.21 -0.36 0.00 0.00 2.20 0.00 0.00 35.95 39.00 1pk8 h PHE 148 CO 0.54 0.42 0.01 0.66 -0.60 0.00 0.00 178.31 179.35 1pk8 h SER 149 N 0.96 0.00 -0.22 2.17 4.64 -1.94 -1.90 113.55 117.26 1pk8 h SER 149 Ca 0.51 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.82 1pk8 h SER 149 Cb 0.55 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.63 1pk8 h SER 149 CO -0.28 0.00 -0.00 0.47 -0.87 0.00 0.00 176.83 176.15 1pk8 n ASP 150 N -2.94 3.58 -4.35 4.97 8.00 -0.69 -5.01 116.55 120.10 1pk8 n ASP 150 Ca -0.03 -3.07 -0.28 0.00 0.71 0.00 0.00 54.79 52.12 1pk8 n ASP 150 Cb 0.08 -0.53 -0.13 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 -2.86 2.29 0.29 0.64 1.43 -0.72 -0.51 118.68 119.24 1pk8 s LEU 151 Ca 0.41 -0.70 -0.12 0.00 -1.03 0.00 0.00 54.13 52.68 1pk8 s LEU 151 Cb 0.34 -1.15 0.01 0.00 0.03 0.00 0.00 46.19 45.42 1pk8 s LEU 151 CO 0.07 0.16 0.56 0.21 0.23 0.00 0.00 176.35 177.59 1pk8 s ASN 152 N -1.87 0.08 0.17 2.29 3.84 -0.35 -5.00 114.94 114.11 1pk8 s ASN 152 Ca 0.12 -1.02 -0.24 0.00 0.21 0.00 0.00 52.86 51.93 1pk8 s ASN 152 Cb -0.10 0.66 0.07 0.00 -0.55 0.00 0.00 41.25 41.33 1pk8 s ASN 152 CO 0.05 -1.28 0.97 -1.48 -2.79 0.00 0.00 177.10 172.57 1pk8 s LEU 153 N -3.05 -0.13 -0.03 3.21 0.05 -1.26 0.06 118.68 117.53 1pk8 s LEU 153 Ca 0.21 -0.50 -0.01 0.00 0.05 0.00 0.00 54.13 53.88 1pk8 s LEU 153 Cb -0.02 2.18 0.02 0.00 -2.05 0.00 0.00 46.19 46.32 1pk8 s LEU 153 CO 0.11 -0.96 0.07 0.54 -0.55 0.00 0.00 176.35 175.56 1pk8 s VAL 154 N -3.01 -0.03 -0.04 1.48 0.11 -0.73 -4.97 120.40 113.21 1pk8 s VAL 154 Ca 0.14 0.12 0.02 0.00 -2.93 0.00 0.00 61.98 59.34 1pk8 s VAL 154 Cb -0.02 -0.12 0.01 0.00 -1.53 0.00 0.00 36.38 34.72 1pk8 s VAL 154 CO 0.03 0.05 -0.08 0.00 -3.33 0.00 0.00 175.10 171.77 1pk8 s ALA 155 N 0.68 0.87 -0.00 1.54 0.00 -1.26 -1.99 121.76 121.59 1pk8 s ALA 155 Ca -0.05 -0.27 0.00 0.00 0.00 0.00 0.00 51.96 51.64 1pk8 s ALA 155 Cb -0.08 -0.38 -0.04 0.00 0.00 0.00 0.00 23.12 22.63 1pk8 s ALA 155 CO -0.02 0.10 0.04 -1.01 0.00 0.00 0.00 175.76 174.87 1pk8 s HIS 156 N 0.43 3.19 0.51 0.00 3.76 0.29 -4.97 115.29 118.49 1pk8 s HIS 156 Ca -0.07 0.15 0.17 0.00 -0.15 0.00 0.00 55.06 55.16 1pk8 s HIS 156 Cb -0.11 -1.71 1.27 0.00 1.11 0.00 0.00 32.58 33.14 1pk8 s HIS 156 CO 0.01 0.51 2.12 0.00 -0.85 0.00 0.00 174.74 176.53 1pk8 h ALA 157 N 4.22 1.87 0.00 -1.40 0.00 -1.89 -1.76 119.26 120.30 1pk8 h ALA 157 Ca -0.49 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.38 1pk8 h ALA 157 Cb 1.18 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.96 1pk8 h ALA 157 CO 0.60 0.05 0.00 0.27 0.00 0.00 0.00 179.25 180.17 1pk8 n ASN 158 N -4.41 0.00 0.00 0.00 0.23 -1.26 -4.85 115.26 104.97 1pk8 n ASN 158 Ca -0.03 -0.66 0.00 0.00 -0.53 0.00 0.00 54.58 53.36 1pk8 n ASN 158 Cb 0.13 -0.01 0.00 0.00 -2.08 0.00 0.00 39.78 37.81 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 0.40 2.25 3.74 4.83 0.00 -0.66 -5.07 105.19 110.68 1pk8 n GLY 159 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.33 2.85 -0.26 -0.02 0.00 -1.26 -4.79 107.32 101.51 1pk8 s GLY 160 Ca 0.00 1.22 -0.38 0.00 0.00 0.00 0.00 44.72 45.56 1pk8 s GLY 160 CO 0.00 1.67 1.38 -0.11 0.00 0.00 0.00 173.10 176.04 1pk8 s PHE 161 N -1.40 -0.02 -0.08 1.90 -0.71 -1.26 -0.55 117.98 115.87 1pk8 s PHE 161 Ca 0.77 0.01 -0.08 0.00 -1.04 0.00 0.00 56.93 56.59 1pk8 s PHE 161 Cb -0.37 0.50 0.02 0.00 -1.21 0.00 0.00 43.02 41.96 1pk8 s PHE 161 CO 0.41 -0.03 0.22 0.45 -1.34 0.00 0.00 175.22 174.93 1pk8 s SER 162 N -2.14 -0.21 -0.18 1.98 0.15 -0.84 -4.82 113.70 107.62 1pk8 s SER 162 Ca 0.12 0.40 -0.04 0.00 0.70 0.00 0.00 55.95 57.13 1pk8 s SER 162 Cb 0.00 0.43 -0.02 0.00 -1.71 0.00 0.00 66.02 64.72 1pk8 s SER 162 CO -0.03 -0.10 -0.03 -0.69 1.20 0.00 0.00 173.24 173.59 1pk8 s VAL 163 N -0.00 3.73 -0.19 4.45 1.01 0.93 -1.78 120.40 128.56 1pk8 s VAL 163 Ca -0.01 -0.40 -0.07 0.00 0.00 0.00 0.00 61.98 61.50 1pk8 s VAL 163 Cb -0.02 -2.66 -0.04 0.00 0.00 0.00 0.00 36.38 33.66 1pk8 s VAL 163 CO 0.00 0.46 0.06 -1.81 0.00 0.00 0.00 175.10 173.81 1pk8 s ASP 164 N 0.84 5.60 -0.13 3.32 1.01 0.11 -0.08 116.67 127.34 1pk8 s ASP 164 Ca -0.01 0.06 0.02 0.00 0.71 0.00 0.00 52.55 53.33 1pk8 s ASP 164 Cb -0.14 -1.96 0.00 0.00 1.01 0.00 0.00 42.92 41.82 1pk8 s ASP 164 CO 0.02 0.16 -0.20 -0.32 0.21 0.00 0.00 175.17 175.04 1pk8 s MET 165 N 0.47 3.13 -0.11 8.23 -2.45 -0.12 -1.21 119.30 127.24 1pk8 s MET 165 Ca 0.03 -0.81 -0.22 0.00 -1.25 0.00 0.00 55.69 53.43 1pk8 s MET 165 Cb -0.13 -2.46 -0.03 0.00 1.25 0.00 0.00 34.83 33.46 1pk8 s MET 165 CO 0.01 0.10 0.67 -2.00 1.05 0.00 0.00 175.02 174.84 1pk8 s GLU 166 N 0.58 4.36 0.07 4.11 2.12 0.34 -1.15 118.70 129.13 1pk8 s GLU 166 Ca -0.11 0.79 0.07 0.00 0.36 0.00 0.00 54.97 56.07 1pk8 s GLU 166 Cb -0.16 -3.49 -0.03 0.00 0.26 0.00 0.00 34.13 30.71 1pk8 s GLU 166 CO 0.04 -0.04 -0.18 0.08 -0.54 0.00 0.00 175.26 174.62 1pk8 s VAL 167 N 1.18 1.46 -0.88 3.70 1.01 0.30 -4.90 120.40 122.26 1pk8 s VAL 167 Ca 0.34 -1.33 -0.14 0.00 0.00 0.00 0.00 61.98 60.85 1pk8 s VAL 167 Cb -0.17 -1.33 0.21 0.00 0.00 0.00 0.00 36.38 35.09 1pk8 s VAL 167 CO 0.15 -0.04 0.89 -0.76 0.00 0.00 0.00 175.10 175.33 1pk8 s LEU 168 N -1.60 6.36 -1.01 3.92 1.43 -1.26 -0.01 118.68 126.51 1pk8 s LEU 168 Ca 0.04 -2.67 -0.14 0.00 -1.03 0.00 0.00 54.13 50.33 1pk8 s LEU 168 Cb -0.09 -2.25 0.19 0.00 0.03 0.00 0.00 46.19 44.07 1pk8 s LEU 168 CO 0.03 -0.64 1.11 -0.13 0.23 0.00 0.00 176.35 176.95 1pk8 s ARG 169 N 0.54 3.85 -0.97 1.70 0.52 -1.01 -4.55 118.95 119.03 1pk8 s ARG 169 Ca 0.23 -2.45 -0.02 0.00 -0.52 0.00 0.00 55.73 52.96 1pk8 s ARG 169 Cb -0.09 -4.76 0.00 0.00 0.52 0.00 0.00 34.95 30.63 1pk8 s ARG 169 CO -0.09 -1.54 0.82 0.09 0.02 0.00 0.00 175.30 174.60 1pk8 n ASN 170 N 4.88 -3.20 0.00 0.23 3.02 -1.26 -3.43 115.26 115.49 1pk8 n ASN 170 Ca 0.25 -0.46 0.00 0.00 -0.03 0.00 0.00 54.58 54.34 1pk8 n ASN 170 Cb 0.45 -4.04 0.00 0.00 -0.61 0.00 0.00 39.78 35.58 1pk8 n ASN 170 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pk8 n GLY 171 N -1.30 2.42 3.69 7.41 0.00 -1.26 -4.99 105.19 111.16 1pk8 n GLY 171 Ca -0.14 -0.56 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 1pk8 n GLY 171 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1pk8 s VAL 172 N -0.48 4.06 -0.57 1.61 1.01 -1.22 -4.94 120.40 119.88 1pk8 s VAL 172 Ca 0.00 1.41 -0.28 0.00 0.00 0.00 0.00 61.98 63.11 1pk8 s VAL 172 Cb 0.00 -3.91 0.02 0.00 0.00 0.00 0.00 36.38 32.49 1pk8 s VAL 172 CO 0.00 0.00 1.35 -0.54 0.00 0.00 0.00 175.10 175.91 1pk8 s LYS 173 N 2.25 3.37 -0.12 2.72 1.02 -1.26 -2.40 119.74 125.31 1pk8 s LYS 173 Ca 0.59 0.39 -0.05 0.00 0.02 0.00 0.00 55.97 56.92 1pk8 s LYS 173 Cb -0.27 -4.09 -0.04 0.00 -0.52 0.00 0.00 37.83 32.91 1pk8 s LYS 173 CO 0.24 -1.86 0.07 0.08 -0.92 0.00 0.00 175.35 172.95 1pk8 s VAL 174 N 5.72 4.88 -0.23 3.17 1.01 0.99 -4.92 120.40 131.02 1pk8 s VAL 174 Ca 0.49 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.37 1pk8 s VAL 174 Cb -0.10 -3.12 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 1pk8 s VAL 174 CO 0.25 0.58 0.08 -0.69 0.00 0.00 0.00 175.10 175.32 1pk8 s VAL 175 N -0.63 4.58 -0.07 2.92 1.01 -1.26 0.11 120.40 127.05 1pk8 s VAL 175 Ca 0.11 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.05 1pk8 s VAL 175 Cb -0.12 -3.12 -0.00 0.00 0.00 0.00 0.00 36.38 33.14 1pk8 s VAL 175 CO 0.02 0.37 -0.23 0.00 0.00 0.00 0.00 175.10 175.27 1pk8 s ARG 176 N 1.20 2.59 0.10 2.72 1.70 -0.30 -4.93 118.95 122.02 1pk8 s ARG 176 Ca 0.05 -0.82 0.01 0.00 -0.47 0.00 0.00 55.73 54.50 1pk8 s ARG 176 Cb -0.14 -2.08 -0.04 0.00 -0.57 0.00 0.00 34.95 32.12 1pk8 s ARG 176 CO 0.04 0.25 0.23 -1.54 -1.08 0.00 0.00 175.30 173.19 1pk8 s SER 177 N 0.14 6.28 0.20 -2.89 1.04 -1.26 -0.95 113.70 116.27 1pk8 s SER 177 Ca -0.11 0.21 -0.03 0.00 0.48 0.00 0.00 55.95 56.50 1pk8 s SER 177 Cb -0.15 -1.90 -0.03 0.00 0.10 0.00 0.00 66.02 64.03 1pk8 s SER 177 CO 0.06 0.13 0.18 -1.48 0.98 0.00 0.00 173.24 173.10 1pk8 s LEU 178 N -2.77 1.07 -0.50 2.42 2.34 0.89 -4.93 118.68 117.19 1pk8 s LEU 178 Ca 0.34 -1.30 0.05 0.00 0.06 0.00 0.00 54.13 53.28 1pk8 s LEU 178 Cb -0.12 0.59 0.18 0.00 -0.56 0.00 0.00 46.19 46.28 1pk8 s LEU 178 CO 0.28 -0.88 0.42 1.17 -1.06 0.00 0.00 176.35 176.28 1pk8 n LYS 179 N -0.27 0.77 -1.72 1.48 4.81 -1.26 -0.05 118.16 121.93 1pk8 n LYS 179 Ca 0.01 -3.59 -0.41 0.00 -0.87 0.00 0.00 58.31 53.45 1pk8 n LYS 179 Cb 0.65 -1.81 0.01 0.00 0.02 0.00 0.00 35.03 33.90 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 2.37 2.06 0.02 1.64 -0.02 -1.26 -4.77 135.00 135.04 1pk8 n PRO 180 Ca 0.26 0.73 0.11 0.00 -2.02 0.00 0.00 63.50 62.59 1pk8 n PRO 180 Cb 0.45 -2.44 -0.03 0.00 -0.02 0.00 0.00 33.50 31.45 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 0.21 0.55 -3.54 2.55 8.00 0.20 -4.96 116.55 119.56 1pk8 n ASP 181 Ca 0.06 -0.21 -0.13 0.00 0.71 0.00 0.00 54.79 55.21 1pk8 n ASP 181 Cb 0.39 1.03 -0.04 0.00 -0.02 0.00 0.00 41.12 42.48 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 -3.25 -0.42 0.01 1.24 2.19 -0.90 -4.26 117.98 112.58 1pk8 s PHE 182 Ca 0.01 0.36 0.01 0.00 0.33 0.00 0.00 56.93 57.65 1pk8 s PHE 182 Cb 0.14 0.38 -0.01 0.00 -1.31 0.00 0.00 43.02 42.23 1pk8 s PHE 182 CO 0.83 -0.70 -0.04 0.54 1.83 0.00 0.00 175.22 177.68 1pk8 s VAL 183 N -2.95 0.28 -0.19 3.12 0.11 -0.64 -0.93 120.40 119.20 1pk8 s VAL 183 Ca -0.03 -0.35 -0.00 0.00 -2.93 0.00 0.00 61.98 58.68 1pk8 s VAL 183 Cb -0.00 -0.28 0.01 0.00 -1.53 0.00 0.00 36.38 34.58 1pk8 s VAL 183 CO -0.06 -0.05 -0.16 -0.22 -3.33 0.00 0.00 175.10 171.28 1pk8 s LEU 184 N -0.42 2.32 -0.34 2.54 2.96 0.31 -1.85 118.68 124.20 1pk8 s LEU 184 Ca -0.02 -0.58 -0.09 0.00 -0.22 0.00 0.00 54.13 53.22 1pk8 s LEU 184 Cb -0.03 -1.54 0.01 0.00 0.50 0.00 0.00 46.19 45.13 1pk8 s LEU 184 CO -0.00 -0.00 0.15 -0.63 -1.32 0.00 0.00 176.35 174.55 1pk8 s ILE 185 N 1.31 4.39 -0.61 6.68 1.01 -0.10 -0.42 121.20 133.46 1pk8 s ILE 185 Ca 0.05 -0.71 0.08 0.00 0.00 0.00 0.00 60.65 60.06 1pk8 s ILE 185 Cb -0.13 -3.35 -0.03 0.00 0.01 0.00 0.00 42.46 38.96 1pk8 s ILE 185 CO -0.10 -0.07 0.48 0.54 0.00 0.00 0.00 174.94 175.79 1pk8 n ARG 186 N 4.95 2.96 -4.04 2.79 5.12 -0.42 -4.00 116.66 124.02 1pk8 n ARG 186 Ca -0.13 -0.36 -0.27 0.00 -1.93 0.00 0.00 57.85 55.16 1pk8 n ARG 186 Cb 0.47 -0.97 -0.05 0.00 -1.16 0.00 0.00 32.46 30.76 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 -1.36 3.03 -0.03 5.56 0.74 -1.10 -4.41 119.66 122.10 1pk8 s GLN 187 Ca 0.05 -0.77 -0.30 0.00 0.05 0.00 0.00 55.36 54.39 1pk8 s GLN 187 Cb 0.06 -2.74 -0.05 0.00 1.10 0.00 0.00 33.01 31.39 1pk8 s GLN 187 CO 0.24 0.51 1.36 -1.01 -0.55 0.00 0.00 175.29 175.84 1pk8 s HIS 188 N -1.69 2.88 -0.31 1.67 3.76 -1.26 -4.75 115.29 115.59 1pk8 s HIS 188 Ca 0.32 0.88 0.27 0.00 -0.15 0.00 0.00 55.06 56.38 1pk8 s HIS 188 Cb -0.11 -3.61 0.88 0.00 1.11 0.00 0.00 32.58 30.84 1pk8 s HIS 188 CO 0.24 -2.23 1.78 0.00 -0.85 0.00 0.00 174.74 173.69 1pk8 h ALA 189 N 7.86 1.00 -3.09 -1.40 0.00 -1.93 -3.46 119.26 118.25 1pk8 h ALA 189 Ca -0.36 0.00 -0.16 0.00 0.00 0.00 0.00 54.91 54.38 1pk8 h ALA 189 Cb 1.17 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.71 1pk8 h ALA 189 CO 0.91 0.00 -0.46 0.12 0.00 0.00 0.00 179.25 179.81 1pk8 s PHE 190 N -3.37 -0.18 -0.19 0.00 5.36 -1.25 -0.17 117.98 118.19 1pk8 s PHE 190 Ca 0.05 0.42 -0.23 0.00 -0.96 0.00 0.00 56.93 56.21 1pk8 s PHE 190 Cb 0.08 0.06 0.06 0.00 -0.34 0.00 0.00 43.02 42.88 1pk8 s PHE 190 CO 0.57 -0.16 0.61 0.45 -1.46 0.00 0.00 175.22 175.23 1pk8 s SER 191 N -0.26 -0.62 0.00 6.13 0.15 0.37 -4.84 113.70 114.63 1pk8 s SER 191 Ca -0.04 1.09 0.30 0.00 0.70 0.00 0.00 55.95 58.01 1pk8 s SER 191 Cb -0.03 1.09 1.77 0.00 -1.71 0.00 0.00 66.02 67.13 1pk8 s SER 191 CO 0.01 -0.29 2.14 0.23 1.20 0.00 0.00 173.24 176.53 1pk8 n MET 192 N 2.35 1.06 -2.05 5.44 2.81 -0.33 -3.78 117.12 122.63 1pk8 n MET 192 Ca -0.15 -0.08 -0.32 0.00 -1.81 0.00 0.00 57.70 55.34 1pk8 n MET 192 Cb 0.56 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.59 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 -2.00 2.87 0.23 3.04 0.00 -1.26 -4.95 121.76 119.69 1pk8 s ALA 193 Ca 0.45 0.21 -0.31 0.00 0.00 0.00 0.00 51.96 52.32 1pk8 s ALA 193 Cb 0.21 -3.17 -0.15 0.00 0.00 0.00 0.00 23.12 20.02 1pk8 s ALA 193 CO 0.35 -0.69 1.16 0.54 0.00 0.00 0.00 175.76 177.12 1pk8 n ARG 194 N -2.18 1.40 -1.69 0.00 1.74 -1.26 -1.98 116.66 112.69 1pk8 n ARG 194 Ca 0.08 0.50 -0.18 0.00 -0.77 0.00 0.00 57.85 57.47 1pk8 n ARG 194 Cb 0.53 -1.98 -0.06 0.00 -1.02 0.00 0.00 32.46 29.93 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 1.76 -5.14 -0.90 0.55 5.03 -1.26 -4.88 115.26 110.43 1pk8 n ASN 195 Ca 0.12 0.34 0.07 0.00 0.87 0.00 0.00 54.58 55.98 1pk8 n ASN 195 Cb 0.28 -4.20 0.22 0.00 -1.02 0.00 0.00 39.78 35.07 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 -0.85 3.12 3.37 7.41 0.00 -0.84 -4.89 105.19 112.51 1pk8 n GLY 196 Ca -0.18 -0.66 -0.45 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.25 6.37 -0.15 1.61 -1.08 -1.25 -0.48 116.67 120.44 1pk8 s ASP 197 Ca 0.34 -1.80 0.16 0.00 -0.52 0.00 0.00 52.55 50.73 1pk8 s ASP 197 Cb 0.22 -2.29 0.47 0.00 -1.46 0.00 0.00 42.92 39.86 1pk8 s ASP 197 CO 0.16 -0.99 1.36 -1.22 0.52 0.00 0.00 175.17 175.00 1pk8 n TYR 198 N 5.84 0.75 -0.25 -5.34 4.01 0.76 -4.72 117.16 118.21 1pk8 n TYR 198 Ca 0.00 -0.86 0.05 0.00 -0.16 0.00 0.00 57.90 56.93 1pk8 n TYR 198 Cb 0.44 -0.26 0.29 0.00 -0.31 0.00 0.00 39.34 39.50 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 1.52 0.88 0.00 -0.72 3.08 -1.87 -1.63 114.38 115.64 1pk8 h ARG 199 Ca 0.00 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 59.96 1pk8 h ARG 199 Cb 1.31 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 31.15 1pk8 h ARG 199 CO 0.17 0.58 -0.19 0.66 -1.07 0.00 0.00 179.97 180.12 1pk8 h SER 200 N 0.90 0.00 -0.21 7.04 4.64 -1.92 0.72 113.55 124.72 1pk8 h SER 200 Ca 0.35 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.49 1pk8 h SER 200 Cb 0.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1pk8 h SER 200 CO -0.13 0.19 -0.54 -0.07 -0.87 0.00 0.00 176.83 175.41 1pk8 h LEU 201 N 0.00 0.89 -0.72 5.97 3.38 -1.67 0.18 115.31 123.34 1pk8 h LEU 201 Ca -0.00 -0.48 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 1pk8 h LEU 201 Cb 0.38 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 1pk8 h LEU 201 CO 0.02 1.26 0.15 0.58 0.09 0.00 0.00 178.44 180.54 1pk8 h VAL 202 N 0.62 1.26 -0.49 1.22 2.07 -0.95 0.62 116.25 120.61 1pk8 h VAL 202 Ca 0.01 -1.00 -0.04 0.00 0.82 0.00 0.00 66.70 66.50 1pk8 h VAL 202 Cb 1.14 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1pk8 h VAL 202 CO 0.12 0.38 0.14 0.40 0.02 0.00 0.00 177.57 178.63 1pk8 h ILE 203 N 1.06 1.23 -0.59 4.57 2.04 -0.72 -2.24 117.51 122.87 1pk8 h ILE 203 Ca 0.22 -0.79 0.02 0.00 1.00 0.00 0.00 64.86 65.30 1pk8 h ILE 203 Cb 0.39 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.27 1pk8 h ILE 203 CO 0.01 0.29 0.38 1.23 0.00 0.00 0.00 178.15 180.05 1pk8 h GLY 204 N 0.66 0.83 1.20 5.37 0.00 -0.04 0.19 103.07 111.27 1pk8 h GLY 204 Ca 0.16 -0.29 -0.04 0.00 0.00 0.00 0.00 47.33 47.16 1pk8 h GLY 204 CO -0.00 0.27 0.30 1.41 0.00 0.00 0.00 176.54 178.51 1pk8 h LEU 205 N 0.76 0.94 -0.29 3.11 3.38 -0.72 -0.36 115.31 122.13 1pk8 h LEU 205 Ca 0.23 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.92 1pk8 h LEU 205 Cb -0.04 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 1pk8 h LEU 205 CO -0.07 0.83 -0.41 -0.61 0.09 0.00 0.00 178.44 178.27 1pk8 h GLN 206 N 1.01 0.78 -0.82 1.13 5.75 -0.93 -2.09 115.11 119.95 1pk8 h GLN 206 Ca 0.24 -0.46 0.07 0.00 -0.15 0.00 0.00 58.65 58.35 1pk8 h GLN 206 Cb 0.17 0.04 -0.05 0.00 1.07 0.00 0.00 27.48 28.70 1pk8 h GLN 206 CO -0.02 1.09 0.53 -0.92 -2.65 0.00 0.00 178.83 176.86 1pk8 h TYR 207 N 0.54 0.90 0.00 3.99 5.03 -0.16 0.15 116.97 127.41 1pk8 h TYR 207 Ca 0.03 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.36 1pk8 h TYR 207 Cb 1.00 -0.29 0.00 0.00 1.55 0.00 0.00 36.73 38.99 1pk8 h TYR 207 CO 0.08 0.46 0.00 0.00 -1.32 0.00 0.00 178.16 177.38 1pk8 n ALA 208 N -2.42 2.40 -2.10 1.82 0.00 -0.19 -4.86 120.51 115.16 1pk8 n ALA 208 Ca 0.12 -0.12 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 1pk8 n ALA 208 Cb 0.23 -1.48 -0.01 0.00 0.00 0.00 0.00 19.45 18.19 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 1.36 0.08 3.67 0.00 0.00 0.51 -4.94 105.19 105.87 1pk8 n GLY 209 Ca 0.11 -0.53 -0.42 0.00 0.00 0.00 0.00 46.02 45.18 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 -2.43 4.83 0.65 -0.61 1.01 -0.84 -5.03 121.20 118.79 1pk8 s ILE 210 Ca 0.00 1.77 -0.17 0.00 0.00 0.00 0.00 60.65 62.24 1pk8 s ILE 210 Cb 0.00 -4.20 -0.01 0.00 0.01 0.00 0.00 42.46 38.27 1pk8 s ILE 210 CO 0.00 -0.01 1.25 -2.84 0.00 0.00 0.00 174.94 173.34 1pk8 s PRO 211 N 2.28 2.57 0.19 2.79 0.02 -1.26 -4.79 135.00 136.79 1pk8 s PRO 211 Ca 0.41 1.92 -0.14 0.00 0.02 0.00 0.00 61.00 63.21 1pk8 s PRO 211 Cb -0.17 -1.87 0.01 0.00 0.02 0.00 0.00 34.50 32.50 1pk8 s PRO 211 CO 0.12 -1.55 0.43 0.45 -0.33 0.00 0.00 177.00 176.13 1pk8 s SER 212 N -1.61 -0.12 -0.12 2.53 0.15 -1.26 -1.63 113.70 111.64 1pk8 s SER 212 Ca 0.79 -0.70 -0.02 0.00 0.70 0.00 0.00 55.95 56.72 1pk8 s SER 212 Cb -0.33 0.53 0.04 0.00 -1.71 0.00 0.00 66.02 64.54 1pk8 s SER 212 CO 0.39 -1.01 0.02 -0.69 1.20 0.00 0.00 173.24 173.15 1pk8 s VAL 213 N -3.93 0.38 1.14 4.45 1.01 -0.77 -3.50 120.40 119.18 1pk8 s VAL 213 Ca 0.14 -0.13 -0.19 0.00 0.00 0.00 0.00 61.98 61.81 1pk8 s VAL 213 Cb 0.01 -0.70 0.27 0.00 0.00 0.00 0.00 36.38 35.96 1pk8 s VAL 213 CO 0.00 0.06 1.20 0.20 0.00 0.00 0.00 175.10 176.55 1pk8 s ASN 214 N 1.95 1.47 0.42 3.32 0.01 -1.26 -0.92 114.94 119.93 1pk8 s ASN 214 Ca 0.03 0.42 -0.25 0.00 -0.71 0.00 0.00 52.86 52.34 1pk8 s ASN 214 Cb -0.14 -0.52 -0.10 0.00 0.41 0.00 0.00 41.25 40.90 1pk8 s ASN 214 CO -0.06 -3.77 1.29 -1.54 -1.51 0.00 0.00 177.10 171.51 1pk8 n SER 215 N -4.49 2.65 -0.03 -1.22 3.41 -1.23 -4.79 113.62 107.93 1pk8 n SER 215 Ca 0.15 1.11 0.04 0.00 -0.26 0.00 0.00 58.87 59.92 1pk8 n SER 215 Cb 0.60 -1.51 0.42 0.00 -0.26 0.00 0.00 64.21 63.45 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 2.12 0.50 -0.47 1.04 3.38 -1.90 -0.86 115.31 119.11 1pk8 h LEU 216 Ca -0.48 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.50 1pk8 h LEU 216 Cb 1.29 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 1pk8 h LEU 216 CO 0.60 0.36 0.28 -0.74 0.09 0.00 0.00 178.44 179.03 1pk8 h HIS 217 N 0.58 0.53 -0.36 1.13 2.76 -1.92 -0.07 115.15 117.80 1pk8 h HIS 217 Ca 0.17 0.02 -0.12 0.00 -2.20 0.00 0.00 60.37 58.24 1pk8 h HIS 217 Cb -0.02 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.76 1pk8 h HIS 217 CO -0.00 0.30 -0.26 0.66 -1.30 0.00 0.00 177.93 177.33 1pk8 h SER 218 N 0.57 0.75 -0.12 3.26 4.64 -1.41 -2.17 113.55 119.07 1pk8 h SER 218 Ca 0.19 -0.28 -0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1pk8 h SER 218 Cb 0.01 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 61.89 1pk8 h SER 218 CO -0.09 0.98 0.06 0.58 -0.87 0.00 0.00 176.83 177.50 1pk8 h VAL 219 N 0.63 1.09 -0.52 0.95 2.07 -0.65 0.14 116.25 119.97 1pk8 h VAL 219 Ca 0.08 -0.25 0.03 0.00 0.82 0.00 0.00 66.70 67.39 1pk8 h VAL 219 Cb 0.77 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 1pk8 h VAL 219 CO 0.06 0.08 0.30 0.22 0.02 0.00 0.00 177.57 178.25 1pk8 h TYR 220 N 0.10 0.55 0.00 1.57 5.03 -0.96 -1.74 116.97 121.52 1pk8 h TYR 220 Ca 0.04 0.02 0.00 0.00 2.58 0.00 0.00 58.73 61.37 1pk8 h TYR 220 Cb 0.07 -0.17 0.00 0.00 1.55 0.00 0.00 36.73 38.18 1pk8 h TYR 220 CO -0.04 0.30 0.00 0.09 -1.32 0.00 0.00 178.16 177.19 1pk8 n ASN 221 N -4.82 0.31 -0.32 -2.11 3.02 -0.83 -2.22 115.26 108.30 1pk8 n ASN 221 Ca 0.04 0.56 0.14 0.00 -0.03 0.00 0.00 54.58 55.30 1pk8 n ASN 221 Cb 0.09 -0.63 0.62 0.00 -0.61 0.00 0.00 39.78 39.25 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 -1.82 0.00 1.50 3.10 3.01 0.01 -4.24 117.46 119.01 1pk8 n PHE 222 Ca 0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.50 1pk8 n PHE 222 Cb 0.24 -0.03 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 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 -0.95 2.02 0.24 0.00 1.01 -1.26 -4.96 116.67 112.77 1pk8 s ASP 224 Ca 0.00 -0.71 -0.05 0.00 0.71 0.00 0.00 52.55 52.50 1pk8 s ASP 224 Cb 0.00 0.26 0.46 0.00 1.01 0.00 0.00 42.92 44.65 1pk8 s ASP 224 CO 0.00 -0.38 1.71 0.11 0.21 0.00 0.00 175.17 176.82 1pk8 h LYS 225 N 8.31 0.34 0.00 8.23 1.57 -1.88 0.64 116.57 133.79 1pk8 h LYS 225 Ca -0.16 -0.02 -0.03 0.00 -1.87 0.00 0.00 60.65 58.57 1pk8 h LYS 225 Cb 1.09 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 33.31 1pk8 h LYS 225 CO 0.34 0.23 -0.16 -1.35 -0.57 0.00 0.00 179.45 177.94 1pk8 h PRO 226 N 0.35 0.00 -0.42 3.15 0.11 -1.96 0.12 132.00 133.34 1pk8 h PRO 226 Ca 0.41 0.00 -0.13 0.00 0.11 0.00 0.00 66.00 66.39 1pk8 h PRO 226 Cb 0.66 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.76 1pk8 h PRO 226 CO -0.45 0.16 -0.26 2.35 -0.21 0.00 0.00 178.00 179.59 1pk8 h TRP 227 N 0.00 1.04 -0.27 0.65 2.91 -1.25 0.19 115.95 119.21 1pk8 h TRP 227 Ca -0.00 -0.26 -0.17 0.00 1.13 0.00 0.00 58.89 59.58 1pk8 h TRP 227 Cb 0.33 -0.24 0.00 0.00 -0.51 0.00 0.00 29.16 28.74 1pk8 h TRP 227 CO 0.00 1.05 -0.50 0.28 -1.03 0.00 0.00 178.44 178.24 1pk8 h VAL 228 N 0.77 1.29 -0.40 2.65 2.07 -0.69 -3.03 116.25 118.91 1pk8 h VAL 228 Ca 0.09 -1.69 -0.00 0.00 0.82 0.00 0.00 66.70 65.92 1pk8 h VAL 228 Cb 0.82 1.67 -0.02 0.00 -1.52 0.00 0.00 31.29 32.24 1pk8 h VAL 228 CO 0.07 0.55 0.23 0.15 0.02 0.00 0.00 177.57 178.59 1pk8 h PHE 229 N 0.59 0.52 -0.70 1.57 3.57 -0.51 -1.28 116.94 120.69 1pk8 h PHE 229 Ca 0.01 0.00 0.05 0.00 3.53 0.00 0.00 57.97 61.57 1pk8 h PHE 229 Cb 1.11 -0.17 -0.04 0.00 2.79 0.00 0.00 35.95 39.64 1pk8 h PHE 229 CO 0.08 0.35 0.46 0.00 -2.23 0.00 0.00 178.31 176.97 1pk8 h ALA 230 N 1.71 1.65 -0.34 2.41 0.00 -0.83 0.18 119.26 124.05 1pk8 h ALA 230 Ca 0.14 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 1pk8 h ALA 230 Cb -0.01 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 1pk8 h ALA 230 CO -0.03 0.26 -0.14 1.96 0.00 0.00 0.00 179.25 181.30 1pk8 h GLN 231 N 0.79 0.60 -0.01 0.00 1.08 -1.26 -2.01 115.11 114.30 1pk8 h GLN 231 Ca 0.29 -0.19 -0.13 0.00 -1.45 0.00 0.00 58.65 57.17 1pk8 h GLN 231 Cb 0.15 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.51 1pk8 h GLN 231 CO -0.09 0.72 -0.59 0.52 -0.95 0.00 0.00 178.83 178.44 1pk8 h MET 232 N 0.54 0.03 -0.37 1.46 2.86 -1.00 -1.15 114.93 117.31 1pk8 h MET 232 Ca 0.09 -0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.68 1pk8 h MET 232 Cb 0.56 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.20 1pk8 h MET 232 CO 0.04 0.61 0.11 0.28 1.06 0.00 0.00 176.91 179.01 1pk8 h VAL 233 N 0.03 1.21 -0.04 -2.22 2.07 -0.50 0.87 116.25 117.66 1pk8 h VAL 233 Ca -0.01 -0.70 0.00 0.00 0.82 0.00 0.00 66.70 66.81 1pk8 h VAL 233 Cb 1.04 0.98 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 1pk8 h VAL 233 CO 0.08 0.24 0.02 -0.09 0.02 0.00 0.00 177.57 177.85 1pk8 h ARG 234 N 0.44 0.05 -0.48 1.57 2.43 -1.10 -1.14 114.38 116.15 1pk8 h ARG 234 Ca 0.12 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1pk8 h ARG 234 Cb 0.26 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.78 1pk8 h ARG 234 CO -0.00 0.03 0.31 -0.07 -1.51 0.00 0.00 179.97 178.73 1pk8 h LEU 235 N 0.05 0.56 -0.38 3.80 3.38 -0.99 -1.62 115.31 120.11 1pk8 h LEU 235 Ca 0.02 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1pk8 h LEU 235 Cb -0.00 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.61 1pk8 h LEU 235 CO -0.01 0.42 -0.52 -0.74 0.09 0.00 0.00 178.44 177.68 1pk8 h HIS 236 N 0.66 1.00 -0.43 1.13 2.76 -0.34 0.91 115.15 120.84 1pk8 h HIS 236 Ca 0.18 -0.34 -0.05 0.00 -2.20 0.00 0.00 60.37 57.95 1pk8 h HIS 236 Cb -0.05 -0.19 -0.02 0.00 1.55 0.00 0.00 27.41 28.69 1pk8 h HIS 236 CO 0.00 1.15 0.05 0.87 -1.30 0.00 0.00 177.93 178.70 1pk8 h LYS 237 N 0.63 0.67 0.01 5.26 1.57 -0.74 0.18 116.57 124.16 1pk8 h LYS 237 Ca 0.02 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.66 1pk8 h LYS 237 Cb 1.10 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.32 1pk8 h LYS 237 CO 0.11 0.66 -0.01 -0.22 -0.57 0.00 0.00 179.45 179.42 1pk8 h LYS 238 N 0.65 -0.02 0.00 3.15 3.64 -1.09 -3.37 116.57 119.53 1pk8 h LYS 238 Ca 0.14 0.00 -0.13 0.00 -1.27 0.00 0.00 60.65 59.39 1pk8 h LYS 238 Cb 0.33 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.13 1pk8 h LYS 238 CO 0.01 0.57 -1.18 -0.07 -2.27 0.00 0.00 179.45 176.50 1pk8 h LEU 239 N -0.62 0.00 0.00 5.20 3.38 -0.79 -3.51 115.31 118.97 1pk8 h LEU 239 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1pk8 h LEU 239 Cb 0.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.34 1pk8 h LEU 239 CO 0.00 0.46 0.00 0.61 0.09 0.00 0.00 178.44 179.60 1pk8 n GLY 240 N 1.33 -0.89 0.27 0.83 0.00 0.63 -4.44 105.19 102.92 1pk8 n GLY 240 Ca -0.06 -1.50 0.04 0.00 0.00 0.00 0.00 46.02 44.50 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 0.70 -0.75 2.61 2.02 -1.78 0.27 112.91 115.97 1pk8 h THR 241 Ca 0.00 -0.15 0.08 0.00 0.77 0.00 0.00 66.41 67.11 1pk8 h THR 241 Cb 0.00 0.21 -0.07 0.00 -1.74 0.00 0.00 68.15 66.55 1pk8 h THR 241 CO 0.00 0.08 0.42 -0.33 0.37 0.00 0.00 175.52 176.06 1pk8 h GLU 242 N 0.45 0.70 0.00 6.66 4.39 -1.98 -2.09 114.58 122.71 1pk8 h GLU 242 Ca 0.38 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 60.02 1pk8 h GLU 242 Cb 0.54 -0.16 -0.00 0.00 -0.10 0.00 0.00 28.75 29.03 1pk8 h GLU 242 CO -0.37 0.46 -1.32 0.39 -1.16 0.00 0.00 179.01 177.02 1pk8 n GLU 243 N -4.78 0.62 -3.17 2.33 1.02 -1.00 -4.66 120.64 110.99 1pk8 n GLU 243 Ca 0.11 0.05 -0.21 0.00 -0.02 0.00 0.00 57.16 57.10 1pk8 n GLU 243 Cb 0.24 -1.75 -0.06 0.00 -0.02 0.00 0.00 31.44 29.86 1pk8 n GLU 243 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1pk8 n PHE 244 N -2.60 -1.52 -0.97 -0.32 7.35 0.05 -4.75 117.46 114.70 1pk8 n PHE 244 Ca -0.03 -2.89 -0.37 0.00 -0.76 0.00 0.00 57.45 53.40 1pk8 n PHE 244 Cb 0.60 0.44 -0.05 0.00 0.35 0.00 0.00 39.48 40.82 1pk8 n PHE 244 CO 0.00 0.00 0.00 -0.35 -0.76 0.00 0.00 176.76 175.65 1pk8 n PRO 245 N 2.39 1.49 -1.98 -7.13 -0.04 -0.80 -4.26 135.00 124.67 1pk8 n PRO 245 Ca 0.24 -1.65 -0.41 0.00 -0.04 0.00 0.00 63.50 61.64 1pk8 n PRO 245 Cb 0.52 -2.75 -0.02 0.00 -0.04 0.00 0.00 33.50 31.22 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 0.80 4.38 0.57 1.53 2.96 -1.26 -0.48 118.68 127.18 1pk8 s LEU 246 Ca 0.52 2.79 -0.18 0.00 -0.22 0.00 0.00 54.13 57.04 1pk8 s LEU 246 Cb 0.13 -3.64 -0.04 0.00 0.50 0.00 0.00 46.19 43.13 1pk8 s LEU 246 CO 0.09 -0.70 1.13 -0.51 -1.32 0.00 0.00 176.35 175.04 1pk8 s ILE 247 N -0.67 3.14 -0.14 6.68 2.07 0.03 -4.71 121.20 127.59 1pk8 s ILE 247 Ca 0.54 0.67 -0.29 0.00 -1.41 0.00 0.00 60.65 60.16 1pk8 s ILE 247 Cb -0.43 -3.24 -0.02 0.00 0.13 0.00 0.00 42.46 38.90 1pk8 s ILE 247 CO 0.52 -0.19 1.36 -1.81 -1.91 0.00 0.00 174.94 172.91 1pk8 s ASP 248 N -1.92 6.86 0.04 4.50 1.01 -1.26 -4.99 116.67 120.91 1pk8 s ASP 248 Ca 0.72 1.80 0.02 0.00 0.71 0.00 0.00 52.55 55.80 1pk8 s ASP 248 Cb -0.24 -2.54 -0.02 0.00 1.01 0.00 0.00 42.92 41.13 1pk8 s ASP 248 CO 0.30 -0.82 -0.07 -1.58 0.21 0.00 0.00 175.17 173.22 1pk8 s GLN 249 N 3.67 0.48 -0.07 8.23 0.74 -1.26 -3.64 119.66 127.81 1pk8 s GLN 249 Ca 0.60 -0.74 0.05 0.00 0.05 0.00 0.00 55.36 55.32 1pk8 s GLN 249 Cb -0.24 -0.19 -0.01 0.00 1.10 0.00 0.00 33.01 33.67 1pk8 s GLN 249 CO 0.19 0.02 -0.23 0.99 -0.55 0.00 0.00 175.29 175.71 1pk8 s THR 250 N -1.46 1.94 -0.20 -0.34 2.01 0.82 -4.97 115.64 113.45 1pk8 s THR 250 Ca -0.11 -0.99 -0.08 0.00 0.31 0.00 0.00 61.69 60.83 1pk8 s THR 250 Cb -0.10 -1.66 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 1pk8 s THR 250 CO -0.00 0.54 0.08 0.12 -0.69 0.00 0.00 174.62 174.67 1pk8 s PHE 251 N 0.05 3.24 -0.23 4.92 5.36 -1.26 -1.44 117.98 128.62 1pk8 s PHE 251 Ca -0.09 0.04 -0.00 0.00 -0.96 0.00 0.00 56.93 55.92 1pk8 s PHE 251 Cb -0.15 -2.12 0.03 0.00 -0.34 0.00 0.00 43.02 40.44 1pk8 s PHE 251 CO 0.05 0.09 -0.11 0.71 -1.46 0.00 0.00 175.22 174.50 1pk8 s TYR 252 N 0.60 3.01 0.45 10.12 2.02 0.38 -5.00 117.35 128.94 1pk8 s TYR 252 Ca 0.04 -1.67 0.13 0.00 -0.37 0.00 0.00 57.07 55.20 1pk8 s TYR 252 Cb -0.13 -2.00 1.04 0.00 -0.40 0.00 0.00 41.96 40.47 1pk8 s TYR 252 CO 0.01 -0.77 2.04 -1.35 -1.57 0.00 0.00 175.55 173.92 1pk8 h PRO 253 N 7.96 0.34 -3.50 -1.71 0.11 -1.93 -1.14 132.00 132.13 1pk8 h PRO 253 Ca -0.35 -0.02 -0.14 0.00 0.11 0.00 0.00 66.00 65.61 1pk8 h PRO 253 Cb 1.11 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.11 1pk8 h PRO 253 CO 0.58 0.23 0.07 0.54 -0.21 0.00 0.00 178.00 179.21 1pk8 s ASN 254 N -6.54 0.43 0.47 -2.05 2.20 -1.26 -3.47 114.94 104.72 1pk8 s ASN 254 Ca -0.07 -1.31 0.21 0.00 -0.94 0.00 0.00 52.86 50.75 1pk8 s ASN 254 Cb 0.18 0.78 1.17 0.00 -2.00 0.00 0.00 41.25 41.38 1pk8 s ASN 254 CO 0.73 -1.53 2.00 1.12 -2.94 0.00 0.00 177.10 176.47 1pk8 h HIS 255 N 2.04 0.00 -0.61 1.54 2.07 -1.86 -3.26 115.15 115.07 1pk8 h HIS 255 Ca -0.31 0.00 0.14 0.00 -2.85 0.00 0.00 60.37 57.36 1pk8 h HIS 255 Cb 1.25 0.00 -0.03 0.00 2.57 0.00 0.00 27.41 31.19 1pk8 h HIS 255 CO 1.47 0.19 0.42 0.87 -3.07 0.00 0.00 177.93 177.81 1pk8 h LYS 256 N 0.00 0.19 -0.03 5.12 1.57 -1.97 -0.61 116.57 120.84 1pk8 h LYS 256 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1pk8 h LYS 256 Cb 0.41 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1pk8 h LYS 256 CO 0.02 0.13 0.00 0.39 -0.57 0.00 0.00 179.45 179.42 1pk8 n GLU 257 N -4.43 1.52 -2.79 3.15 -0.58 -1.23 -4.65 120.64 111.62 1pk8 n GLU 257 Ca 0.11 -0.75 -0.43 0.00 -0.42 0.00 0.00 57.16 55.67 1pk8 n GLU 257 Cb 0.54 -1.47 -0.01 0.00 -0.57 0.00 0.00 31.44 29.94 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 -1.98 3.93 -0.21 3.49 -1.94 -0.24 -4.75 119.30 117.61 1pk8 s MET 258 Ca 0.39 -2.12 -0.11 0.00 -1.71 0.00 0.00 55.69 52.14 1pk8 s MET 258 Cb 0.21 -5.21 -0.19 0.00 2.01 0.00 0.00 34.83 31.64 1pk8 s MET 258 CO 0.33 -1.96 0.04 1.28 -0.01 0.00 0.00 175.02 174.70 1pk8 n LEU 259 N 6.94 2.33 0.00 -0.03 4.77 -1.26 -4.92 117.00 124.83 1pk8 n LEU 259 Ca 0.38 0.23 -0.01 0.00 -0.03 0.00 0.00 56.01 56.58 1pk8 n LEU 259 Cb 0.46 -0.97 0.01 0.00 -2.33 0.00 0.00 43.42 40.59 1pk8 n LEU 259 CO 0.65 0.64 0.57 -1.54 -1.33 0.00 0.00 177.39 176.39 1pk8 n SER 260 N -3.89 -1.08 -4.18 -1.43 3.41 -1.26 -4.88 113.62 100.30 1pk8 n SER 260 Ca -0.40 -1.52 -0.16 0.00 -0.26 0.00 0.00 58.87 56.53 1pk8 n SER 260 Cb 0.89 1.75 -0.11 0.00 -0.26 0.00 0.00 64.21 66.49 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 -2.66 1.58 0.16 4.04 0.15 -1.26 -5.04 113.70 110.66 1pk8 s SER 261 Ca 0.16 -0.77 -0.07 0.00 0.70 0.00 0.00 55.95 55.97 1pk8 s SER 261 Cb -0.02 -0.02 0.01 0.00 -1.71 0.00 0.00 66.02 64.29 1pk8 s SER 261 CO 0.03 -0.20 1.45 0.71 1.20 0.00 0.00 173.24 176.42 1pk8 h THR 262 N 3.71 1.30 -3.89 6.45 1.35 -2.02 -3.46 112.91 116.35 1pk8 h THR 262 Ca -0.38 -1.80 -0.22 0.00 -0.55 0.00 0.00 66.41 63.46 1pk8 h THR 262 Cb 1.19 1.74 -0.15 0.00 -1.73 0.00 0.00 68.15 69.20 1pk8 h THR 262 CO 0.50 0.57 -0.69 0.42 -0.25 0.00 0.00 175.52 176.07 1pk8 s THR 263 N -4.02 0.61 0.07 6.82 -4.23 -1.26 -5.16 115.64 108.46 1pk8 s THR 263 Ca -0.09 -1.92 0.04 0.00 -1.18 0.00 0.00 61.69 58.53 1pk8 s THR 263 Cb 0.11 -1.73 -0.03 0.00 1.34 0.00 0.00 72.50 72.19 1pk8 s THR 263 CO 0.87 -0.82 -0.11 -0.31 -0.54 0.00 0.00 174.62 173.70 1pk8 s TYR 264 N -3.68 0.97 0.66 3.99 2.02 -1.26 -4.44 117.35 115.60 1pk8 s TYR 264 Ca 0.13 -0.53 -0.10 0.00 -0.37 0.00 0.00 57.07 56.20 1pk8 s TYR 264 Cb 0.06 -0.55 0.01 0.00 -0.40 0.00 0.00 41.96 41.07 1pk8 s TYR 264 CO -0.04 -0.01 1.03 -1.25 -1.57 0.00 0.00 175.55 173.70 1pk8 s PRO 265 N -1.98 2.95 0.20 -1.71 0.04 -1.26 -5.01 135.00 128.23 1pk8 s PRO 265 Ca -0.03 0.34 0.08 0.00 0.04 0.00 0.00 61.00 61.43 1pk8 s PRO 265 Cb -0.08 -2.11 -0.05 0.00 0.04 0.00 0.00 34.50 32.31 1pk8 s PRO 265 CO 0.01 -0.88 -0.15 0.14 0.04 0.00 0.00 177.00 176.16 1pk8 s VAL 266 N -3.22 1.76 -0.24 -0.36 -7.23 0.67 -1.51 120.40 110.26 1pk8 s VAL 266 Ca 0.56 -2.17 -0.05 0.00 -1.81 0.00 0.00 61.98 58.52 1pk8 s VAL 266 Cb -0.11 -2.01 -0.01 0.00 0.56 0.00 0.00 36.38 34.81 1pk8 s VAL 266 CO 0.50 -0.55 -0.01 -0.69 -0.31 0.00 0.00 175.10 174.04 1pk8 s VAL 267 N -2.82 3.58 -0.20 1.32 1.01 0.91 -0.10 120.40 124.09 1pk8 s VAL 267 Ca 0.21 -0.52 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 1pk8 s VAL 267 Cb -0.02 -2.69 -0.05 0.00 0.00 0.00 0.00 36.38 33.63 1pk8 s VAL 267 CO 0.07 0.33 0.23 -0.69 0.00 0.00 0.00 175.10 175.04 1pk8 s VAL 268 N 1.49 5.33 -0.27 2.92 1.01 -0.07 -1.83 120.40 128.98 1pk8 s VAL 268 Ca 0.05 0.37 0.01 0.00 0.00 0.00 0.00 61.98 62.41 1pk8 s VAL 268 Cb -0.15 -3.57 0.05 0.00 0.00 0.00 0.00 36.38 32.71 1pk8 s VAL 268 CO -0.01 0.36 -0.07 -0.54 0.00 0.00 0.00 175.10 174.84 1pk8 s LYS 269 N 0.80 2.33 -0.09 2.72 1.02 0.03 -1.61 119.74 124.94 1pk8 s LYS 269 Ca 0.12 -1.30 -0.25 0.00 0.02 0.00 0.00 55.97 54.55 1pk8 s LYS 269 Cb -0.13 -3.00 -0.03 0.00 -0.52 0.00 0.00 37.83 34.16 1pk8 s LYS 269 CO 0.03 -0.58 0.80 -1.64 -0.92 0.00 0.00 175.35 173.05 1pk8 s MET 270 N 1.16 4.42 2.75 1.68 -1.94 -0.01 -1.59 119.30 125.78 1pk8 s MET 270 Ca -0.07 1.04 0.00 0.00 -1.71 0.00 0.00 55.69 54.95 1pk8 s MET 270 Cb -0.20 -3.49 0.00 0.00 2.01 0.00 0.00 34.83 33.15 1pk8 s MET 270 CO -0.04 -0.09 0.00 0.41 -0.01 0.00 0.00 175.02 175.29 1pk8 n GLY 271 N 3.18 1.54 3.09 -0.03 0.00 0.08 -4.42 105.19 108.63 1pk8 n GLY 271 Ca 0.02 -0.47 -0.33 0.00 0.00 0.00 0.00 46.02 45.24 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 3.48 0.22 1.61 2.46 -1.26 -4.82 115.29 116.99 1pk8 s HIS 272 Ca 0.00 -2.42 -0.11 0.00 0.47 0.00 0.00 55.06 52.99 1pk8 s HIS 272 Cb 0.00 -2.53 -0.01 0.00 -0.13 0.00 0.00 32.58 29.91 1pk8 s HIS 272 CO 0.00 -0.90 0.42 0.00 -2.47 0.00 0.00 174.74 171.79 1pk8 s ALA 273 N 1.09 -0.13 0.45 1.58 0.00 -1.26 -1.18 121.76 122.30 1pk8 s ALA 273 Ca 0.01 -0.90 0.03 0.00 0.00 0.00 0.00 51.96 51.10 1pk8 s ALA 273 Cb -0.20 1.04 -0.02 0.00 0.00 0.00 0.00 23.12 23.94 1pk8 s ALA 273 CO -0.05 -0.79 0.08 -1.01 0.00 0.00 0.00 175.76 173.99 1pk8 s HIS 274 N -4.01 1.82 -1.53 0.00 0.09 -1.26 -4.79 115.29 105.61 1pk8 s HIS 274 Ca 0.22 -1.15 -0.15 0.00 -0.00 0.00 0.00 55.06 53.98 1pk8 s HIS 274 Cb 0.01 -1.34 0.12 0.00 -0.00 0.00 0.00 32.58 31.36 1pk8 s HIS 274 CO 0.07 -0.09 0.76 0.43 -0.00 0.00 0.00 174.74 175.91 1pk8 n SER 275 N -1.30 -3.87 0.00 1.40 7.64 -1.26 -0.82 113.62 115.40 1pk8 n SER 275 Ca -0.11 -0.76 0.00 0.00 1.01 0.00 0.00 58.87 59.01 1pk8 n SER 275 Cb 0.66 -3.15 0.00 0.00 -1.01 0.00 0.00 64.21 60.71 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 -1.40 1.82 3.74 0.23 0.00 -1.26 -4.94 105.19 103.38 1pk8 n GLY 276 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.33 4.13 -0.20 1.61 -2.45 -0.00 -2.64 119.30 119.41 1pk8 s MET 277 Ca 0.00 2.58 0.00 0.00 -1.25 0.00 0.00 55.69 57.02 1pk8 s MET 277 Cb 0.00 -3.04 0.00 0.00 1.25 0.00 0.00 34.83 33.04 1pk8 s MET 277 CO 0.00 -0.66 0.00 0.41 1.05 0.00 0.00 175.02 175.82 1pk8 n GLY 278 N 2.72 0.54 3.27 2.11 0.00 -1.26 -4.48 105.19 108.10 1pk8 n GLY 278 Ca 0.10 -0.48 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.38 3.18 0.07 1.61 1.02 -1.08 -0.83 119.74 122.32 1pk8 s LYS 279 Ca 0.00 -0.80 0.02 0.00 0.02 0.00 0.00 55.97 55.21 1pk8 s LYS 279 Cb 0.00 -2.43 -0.03 0.00 -0.52 0.00 0.00 37.83 34.85 1pk8 s LYS 279 CO 0.00 0.18 -0.08 0.14 -0.92 0.00 0.00 175.35 174.67 1pk8 s VAL 280 N 0.37 0.64 -0.14 3.17 -7.23 -0.63 -4.99 120.40 111.59 1pk8 s VAL 280 Ca -0.15 -1.41 -0.09 0.00 -1.81 0.00 0.00 61.98 58.51 1pk8 s VAL 280 Cb -0.17 -1.03 -0.05 0.00 0.56 0.00 0.00 36.38 35.69 1pk8 s VAL 280 CO 0.07 -0.55 0.18 -0.75 -0.31 0.00 0.00 175.10 173.74 1pk8 s LYS 281 N -2.41 3.81 -0.13 4.82 2.20 -1.26 -0.89 119.74 125.89 1pk8 s LYS 281 Ca -0.01 -0.08 0.01 0.00 -0.36 0.00 0.00 55.97 55.53 1pk8 s LYS 281 Cb -0.04 -3.29 0.02 0.00 -1.51 0.00 0.00 37.83 33.00 1pk8 s LYS 281 CO -0.01 0.56 -0.15 0.08 -0.36 0.00 0.00 175.35 175.47 1pk8 s VAL 282 N -0.43 1.55 -0.66 4.02 1.01 0.85 -4.98 120.40 121.77 1pk8 s VAL 282 Ca 0.14 -0.65 0.23 0.00 0.00 0.00 0.00 61.98 61.70 1pk8 s VAL 282 Cb -0.12 -1.43 -0.12 0.00 0.00 0.00 0.00 36.38 34.71 1pk8 s VAL 282 CO 0.03 0.45 1.02 0.47 0.00 0.00 0.00 175.10 177.08 1pk8 n ASP 283 N 4.43 0.62 -3.72 3.32 8.00 -1.26 -0.24 116.55 127.70 1pk8 n ASP 283 Ca -0.18 -0.29 -0.09 0.00 0.71 0.00 0.00 54.79 54.94 1pk8 n ASP 283 Cb 0.51 0.82 -0.03 0.00 -0.02 0.00 0.00 41.12 42.39 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 -3.78 -0.32 0.20 -2.24 2.20 -1.26 -4.52 114.94 105.21 1pk8 s ASN 284 Ca 0.04 -0.44 -0.17 0.00 -0.94 0.00 0.00 52.86 51.36 1pk8 s ASN 284 Cb 0.15 0.63 0.18 0.00 -2.00 0.00 0.00 41.25 40.21 1pk8 s ASN 284 CO 0.80 -1.14 1.61 -0.61 -2.94 0.00 0.00 177.10 174.83 1pk8 h GLN 285 N 2.09 -0.08 -0.47 3.55 5.75 -1.98 -0.37 115.11 123.60 1pk8 h GLN 285 Ca -0.27 0.01 0.01 0.00 -0.15 0.00 0.00 58.65 58.25 1pk8 h GLN 285 Cb 1.27 0.02 -0.03 0.00 1.07 0.00 0.00 27.48 29.81 1pk8 h GLN 285 CO 0.33 -0.05 0.30 0.45 -2.65 0.00 0.00 178.83 177.20 1pk8 h HIS 286 N -0.08 0.57 -0.13 3.99 3.86 -1.99 -1.68 115.15 119.69 1pk8 h HIS 286 Ca 0.26 0.01 -0.06 0.00 -1.16 0.00 0.00 60.37 59.42 1pk8 h HIS 286 Cb 0.49 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.76 1pk8 h HIS 286 CO -0.54 0.35 -0.20 -0.44 0.86 0.00 0.00 177.93 177.96 1pk8 h ASP 287 N 0.61 0.21 -0.37 2.45 3.32 -1.79 -2.45 116.42 118.40 1pk8 h ASP 287 Ca 0.18 -0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.13 1pk8 h ASP 287 Cb -0.04 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1pk8 h ASP 287 CO -0.05 0.42 0.07 0.15 -1.72 0.00 0.00 179.24 178.11 1pk8 h PHE 288 N 0.20 0.64 -0.85 4.55 3.57 -0.46 -1.07 116.94 123.52 1pk8 h PHE 288 Ca 0.04 -0.09 -0.01 0.00 3.53 0.00 0.00 57.97 61.44 1pk8 h PHE 288 Cb 0.47 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 39.00 1pk8 h PHE 288 CO 0.01 0.65 0.48 1.96 -2.23 0.00 0.00 178.31 179.17 1pk8 h GLN 289 N 0.45 1.18 -0.44 1.11 4.20 -1.07 0.14 115.11 120.68 1pk8 h GLN 289 Ca 0.11 -0.13 -0.05 0.00 0.06 0.00 0.00 58.65 58.65 1pk8 h GLN 289 Cb 0.34 -0.24 -0.02 0.00 0.30 0.00 0.00 27.48 27.87 1pk8 h GLN 289 CO 0.01 0.86 0.08 -0.44 -0.67 0.00 0.00 178.83 178.66 1pk8 h ASP 290 N 1.19 0.69 0.01 1.46 3.32 -1.17 -2.32 116.42 119.61 1pk8 h ASP 290 Ca 0.30 -0.25 -0.08 0.00 0.02 0.00 0.00 57.03 57.02 1pk8 h ASP 290 Cb 0.01 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1pk8 h ASP 290 CO -0.05 0.77 -0.21 0.40 -1.72 0.00 0.00 179.24 178.42 1pk8 h ILE 291 N 0.59 1.24 -0.47 0.35 1.08 -0.62 -1.90 117.51 117.77 1pk8 h ILE 291 Ca 0.14 -1.10 -0.07 0.00 -0.39 0.00 0.00 64.86 63.43 1pk8 h ILE 291 Cb 0.36 1.33 -0.02 0.00 -3.07 0.00 0.00 36.82 35.42 1pk8 h ILE 291 CO 0.01 0.34 0.01 0.00 -0.69 0.00 0.00 178.15 177.83 1pk8 h ALA 292 N 1.46 1.15 -0.02 1.87 0.00 -0.51 -1.05 119.26 122.17 1pk8 h ALA 292 Ca 0.05 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.63 1pk8 h ALA 292 Cb 0.56 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1pk8 h ALA 292 CO 0.04 0.55 -0.38 0.66 0.00 0.00 0.00 179.25 180.12 1pk8 h SER 293 N 0.72 0.04 -0.25 0.00 4.64 -0.80 -2.09 113.55 115.80 1pk8 h SER 293 Ca 0.14 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.36 1pk8 h SER 293 Cb 0.42 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 62.49 1pk8 h SER 293 CO 0.02 0.42 -0.18 0.58 -0.87 0.00 0.00 176.83 176.80 1pk8 h VAL 294 N 0.04 1.31 -0.92 0.95 2.07 -0.83 -2.81 116.25 116.06 1pk8 h VAL 294 Ca 0.00 -1.31 0.16 0.00 0.82 0.00 0.00 66.70 66.37 1pk8 h VAL 294 Cb 0.70 1.61 -0.08 0.00 -1.52 0.00 0.00 31.29 32.00 1pk8 h VAL 294 CO 0.05 0.41 0.59 0.58 0.02 0.00 0.00 177.57 179.22 1pk8 h VAL 295 N 0.28 0.79 -0.06 2.57 2.07 -0.77 0.27 116.25 121.39 1pk8 h VAL 295 Ca 0.05 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.32 1pk8 h VAL 295 Cb 0.71 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.54 1pk8 h VAL 295 CO 0.05 0.12 -0.04 0.00 0.02 0.00 0.00 177.57 177.72 1pk8 h ALA 296 N 1.60 1.82 0.00 1.67 0.00 -1.13 -1.33 119.26 121.90 1pk8 h ALA 296 Ca 0.48 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 55.26 1pk8 h ALA 296 Cb 0.82 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 1pk8 h ALA 296 CO -0.23 0.14 -0.33 -0.07 0.00 0.00 0.00 179.25 178.76 1pk8 h LEU 297 N 0.09 0.00 -0.27 0.00 3.38 -0.41 -3.03 115.31 115.07 1pk8 h LEU 297 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 1pk8 h LEU 297 Cb 0.13 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 1pk8 h LEU 297 CO 0.01 0.24 -0.04 0.71 0.09 0.00 0.00 178.44 179.44 1pk8 h THR 298 N 0.00 0.08 -6.27 0.22 1.35 -0.73 -3.47 112.91 104.09 1pk8 h THR 298 Ca -0.01 -1.01 -0.47 0.00 -0.55 0.00 0.00 66.41 64.37 1pk8 h THR 298 Cb 1.19 1.95 -0.02 0.00 -1.73 0.00 0.00 68.15 69.54 1pk8 h THR 298 CO 0.03 0.04 -0.78 0.29 -0.25 0.00 0.00 175.52 174.85 1pk8 n LYS 299 N -3.12 -5.27 -2.80 4.72 5.02 -0.87 -4.96 118.16 110.87 1pk8 n LYS 299 Ca 0.03 0.59 -0.08 0.00 -2.02 0.00 0.00 58.31 56.84 1pk8 n LYS 299 Cb 0.51 -5.38 -0.02 0.00 -0.02 0.00 0.00 35.03 30.12 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 -4.58 0.00 -1.94 -0.18 5.66 -1.26 -5.12 114.28 106.87 1pk8 n THR 300 Ca -0.05 -0.92 -0.29 0.00 -3.05 0.00 0.00 64.05 59.74 1pk8 n THR 300 Cb 0.56 0.53 0.10 0.00 -1.55 0.00 0.00 70.33 69.97 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 -3.56 2.70 0.03 1.09 -0.85 -1.23 -4.42 117.35 111.11 1pk8 s TYR 301 Ca 0.15 0.64 -0.23 0.00 -0.52 0.00 0.00 57.07 57.11 1pk8 s TYR 301 Cb 0.00 -3.58 0.05 0.00 0.38 0.00 0.00 41.96 38.82 1pk8 s TYR 301 CO 0.11 -1.90 0.54 0.00 -1.52 0.00 0.00 175.55 172.78 1pk8 s ALA 302 N -3.60 -1.38 0.18 9.51 0.00 -0.43 -0.74 121.76 125.30 1pk8 s ALA 302 Ca 0.64 0.70 0.09 0.00 0.00 0.00 0.00 51.96 53.38 1pk8 s ALA 302 Cb -0.10 0.32 -0.04 0.00 0.00 0.00 0.00 23.12 23.30 1pk8 s ALA 302 CO 0.49 -0.48 -0.17 0.95 0.00 0.00 0.00 175.76 176.55 1pk8 s THR 303 N -2.22 1.84 -0.00 0.00 -4.23 -0.62 -0.47 115.64 109.94 1pk8 s THR 303 Ca -0.06 -2.02 0.02 0.00 -1.18 0.00 0.00 61.69 58.45 1pk8 s THR 303 Cb -0.01 -1.92 -0.01 0.00 1.34 0.00 0.00 72.50 71.90 1pk8 s THR 303 CO 0.00 -0.39 -0.08 0.00 -0.54 0.00 0.00 174.62 173.62 1pk8 s ALA 304 N -2.30 0.63 0.05 3.99 0.00 -0.52 -0.79 121.76 122.82 1pk8 s ALA 304 Ca 0.18 -0.35 -0.08 0.00 0.00 0.00 0.00 51.96 51.71 1pk8 s ALA 304 Cb -0.04 -0.15 -0.00 0.00 0.00 0.00 0.00 23.12 22.92 1pk8 s ALA 304 CO 0.07 0.15 0.17 -1.83 0.00 0.00 0.00 175.76 174.32 1pk8 s GLU 305 N -0.24 0.70 0.30 0.00 -1.05 -0.76 -0.12 118.70 117.52 1pk8 s GLU 305 Ca 0.02 -0.71 -0.30 0.00 -0.15 0.00 0.00 54.97 53.83 1pk8 s GLU 305 Cb -0.03 0.28 -0.12 0.00 -0.44 0.00 0.00 34.13 33.82 1pk8 s GLU 305 CO -0.00 -0.20 1.43 -2.30 0.95 0.00 0.00 175.26 175.14 1pk8 n PRO 306 N 0.57 2.32 -2.53 -4.83 -0.02 -1.24 -0.06 135.00 129.21 1pk8 n PRO 306 Ca -0.18 0.82 -0.42 0.00 -2.02 0.00 0.00 63.50 61.70 1pk8 n PRO 306 Cb 0.59 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.55 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 -0.49 3.51 -0.24 6.00 5.36 -0.57 -4.60 117.98 126.95 1pk8 s PHE 307 Ca 0.61 1.45 -0.07 0.00 -0.96 0.00 0.00 56.93 57.96 1pk8 s PHE 307 Cb -0.56 -3.31 -0.03 0.00 -0.34 0.00 0.00 43.02 38.78 1pk8 s PHE 307 CO 0.55 -0.79 0.06 0.42 -1.46 0.00 0.00 175.22 173.99 1pk8 s ILE 308 N 1.10 4.27 -0.96 3.12 1.01 -1.26 -4.86 121.20 123.61 1pk8 s ILE 308 Ca 0.56 -0.19 -0.24 0.00 0.00 0.00 0.00 60.65 60.78 1pk8 s ILE 308 Cb -0.26 -2.99 -0.02 0.00 0.01 0.00 0.00 42.46 39.21 1pk8 s ILE 308 CO 0.28 0.35 1.79 -0.62 0.00 0.00 0.00 174.94 176.75 1pk8 s ASP 309 N 1.51 5.58 0.06 3.58 -1.08 -1.26 -4.92 116.67 120.13 1pk8 s ASP 309 Ca 0.06 -0.98 -0.16 0.00 -0.52 0.00 0.00 52.55 50.94 1pk8 s ASP 309 Cb -0.15 -2.56 -0.06 0.00 -1.46 0.00 0.00 42.92 38.68 1pk8 s ASP 309 CO 0.03 -2.36 0.50 0.00 0.52 0.00 0.00 175.17 173.86 1pk8 s ALA 310 N 8.47 3.64 0.18 3.66 0.00 -1.26 -2.02 121.76 134.43 1pk8 s ALA 310 Ca 0.62 -0.10 0.01 0.00 0.00 0.00 0.00 51.96 52.50 1pk8 s ALA 310 Cb -0.04 -2.51 0.07 0.00 0.00 0.00 0.00 23.12 20.64 1pk8 s ALA 310 CO -0.03 0.45 1.43 -0.22 0.00 0.00 0.00 175.76 177.39 1pk8 h LYS 311 N 4.43 0.28 -1.11 0.00 3.64 -1.18 -3.45 116.57 119.18 1pk8 h LYS 311 Ca -0.50 -0.25 0.38 0.00 -1.27 0.00 0.00 60.65 59.00 1pk8 h LYS 311 Cb 1.21 0.06 -0.14 0.00 -0.41 0.00 0.00 32.23 32.95 1pk8 h LYS 311 CO 0.63 0.92 0.96 1.52 -2.27 0.00 0.00 179.45 181.21 1pk8 s TYR 312 N -3.47 -0.01 0.27 1.91 -0.85 -1.21 -4.90 117.35 109.09 1pk8 s TYR 312 Ca -0.04 -0.01 0.12 0.00 -0.52 0.00 0.00 57.07 56.61 1pk8 s TYR 312 Cb 0.11 0.51 -0.05 0.00 0.38 0.00 0.00 41.96 42.91 1pk8 s TYR 312 CO 0.83 -0.07 -0.20 0.16 -1.52 0.00 0.00 175.55 174.75 1pk8 s ASP 313 N -2.94 3.49 0.09 -0.18 1.47 -0.87 -0.79 116.67 116.95 1pk8 s ASP 313 Ca 0.15 -1.02 0.03 0.00 1.18 0.00 0.00 52.55 52.89 1pk8 s ASP 313 Cb 0.07 -0.28 -0.04 0.00 -0.34 0.00 0.00 42.92 42.33 1pk8 s ASP 313 CO -0.06 0.03 -0.10 0.54 0.68 0.00 0.00 175.17 176.26 1pk8 s VAL 314 N -2.48 0.89 -0.05 2.11 0.11 0.24 -0.39 120.40 120.82 1pk8 s VAL 314 Ca 0.29 -1.61 -0.01 0.00 -2.93 0.00 0.00 61.98 57.72 1pk8 s VAL 314 Cb -0.05 -1.32 0.03 0.00 -1.53 0.00 0.00 36.38 33.51 1pk8 s VAL 314 CO 0.14 -0.56 0.00 -0.60 -3.33 0.00 0.00 175.10 170.75 1pk8 s ARG 315 N -2.76 0.49 -0.26 1.54 3.52 -0.16 -1.28 118.95 120.03 1pk8 s ARG 315 Ca 0.05 0.11 -0.09 0.00 -0.13 0.00 0.00 55.73 55.67 1pk8 s ARG 315 Cb -0.03 -0.79 -0.03 0.00 -1.56 0.00 0.00 34.95 32.53 1pk8 s ARG 315 CO -0.00 -0.24 0.12 0.08 -0.81 0.00 0.00 175.30 174.44 1pk8 s VAL 316 N 1.66 4.69 0.16 7.11 1.01 -0.17 -1.63 120.40 133.23 1pk8 s VAL 316 Ca -0.00 -0.06 0.07 0.00 0.00 0.00 0.00 61.98 61.98 1pk8 s VAL 316 Cb -0.13 -3.22 -0.04 0.00 0.00 0.00 0.00 36.38 32.99 1pk8 s VAL 316 CO -0.03 0.29 0.00 0.00 0.00 0.00 0.00 175.10 175.36 1pk8 s GLN 317 N 1.67 2.43 -0.15 2.72 -2.07 0.29 -0.46 119.66 124.10 1pk8 s GLN 317 Ca 0.06 -1.06 -0.04 0.00 -1.82 0.00 0.00 55.36 52.51 1pk8 s GLN 317 Cb -0.16 -2.39 0.05 0.00 -1.09 0.00 0.00 33.01 29.43 1pk8 s GLN 317 CO 0.06 0.47 0.07 0.21 -1.32 0.00 0.00 175.29 174.78 1pk8 s LYS 318 N -2.85 0.19 -0.33 9.60 2.20 0.71 -2.55 119.74 126.72 1pk8 s LYS 318 Ca 0.27 -0.05 -0.02 0.00 -0.36 0.00 0.00 55.97 55.81 1pk8 s LYS 318 Cb -0.10 -1.60 0.07 0.00 -1.51 0.00 0.00 37.83 34.69 1pk8 s LYS 318 CO 0.19 -0.58 0.06 0.42 -0.36 0.00 0.00 175.35 175.07 1pk8 s ILE 319 N 2.08 3.05 0.00 5.43 1.01 -0.50 -1.73 121.20 130.55 1pk8 s ILE 319 Ca 0.02 -1.60 0.00 0.00 0.00 0.00 0.00 60.65 59.07 1pk8 s ILE 319 Cb -0.15 -2.87 0.00 0.00 0.01 0.00 0.00 42.46 39.45 1pk8 s ILE 319 CO -0.08 -0.29 0.00 0.61 0.00 0.00 0.00 174.94 175.19 1pk8 n GLY 320 N 4.60 4.19 1.18 6.18 0.00 -0.73 -0.91 105.19 119.69 1pk8 n GLY 320 Ca -0.09 0.09 0.08 0.00 0.00 0.00 0.00 46.02 46.10 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 13.85 3.49 -4.03 1.61 1.13 -1.26 -4.95 117.38 127.22 1pk8 n GLN 321 Ca 0.00 -2.93 -0.35 0.00 -1.94 0.00 0.00 57.00 51.78 1pk8 n GLN 321 Cb 0.00 -1.96 -0.11 0.00 0.11 0.00 0.00 30.24 28.28 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 -1.61 5.28 0.02 1.08 3.84 -0.09 -5.11 114.94 118.36 1pk8 s ASN 322 Ca 0.46 -0.06 0.06 0.00 0.21 0.00 0.00 52.86 53.53 1pk8 s ASN 322 Cb 0.36 -1.91 -0.03 0.00 -0.55 0.00 0.00 41.25 39.12 1pk8 s ASN 322 CO 0.11 0.11 -0.15 -0.31 -2.79 0.00 0.00 177.10 174.07 1pk8 s TYR 323 N 0.75 2.65 -0.03 0.43 1.51 -1.26 -1.40 117.35 120.00 1pk8 s TYR 323 Ca 0.02 -0.19 -0.12 0.00 -1.01 0.00 0.00 57.07 55.77 1pk8 s TYR 323 Cb -0.14 -1.51 0.02 0.00 -0.11 0.00 0.00 41.96 40.22 1pk8 s TYR 323 CO 0.02 0.27 0.27 0.15 -1.11 0.00 0.00 175.55 175.15 1pk8 s LYS 324 N -1.37 0.54 -0.02 -0.62 1.02 -1.05 -4.99 119.74 113.24 1pk8 s LYS 324 Ca 0.15 -0.09 0.03 0.00 0.02 0.00 0.00 55.97 56.09 1pk8 s LYS 324 Cb -0.11 0.24 -0.00 0.00 -0.52 0.00 0.00 37.83 37.44 1pk8 s LYS 324 CO 0.05 -0.13 -0.12 0.00 -0.92 0.00 0.00 175.35 174.23 1pk8 s ALA 325 N -0.97 1.10 0.01 5.17 0.00 -1.26 -0.54 121.76 125.27 1pk8 s ALA 325 Ca -0.10 -0.50 0.04 0.00 0.00 0.00 0.00 51.96 51.40 1pk8 s ALA 325 Cb -0.05 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.71 1pk8 s ALA 325 CO 0.03 0.22 -0.13 0.71 0.00 0.00 0.00 175.76 176.58 1pk8 s TYR 326 N -0.04 1.19 -0.11 0.00 2.02 -0.64 -1.02 117.35 118.75 1pk8 s TYR 326 Ca -0.00 -0.28 -0.02 0.00 -0.37 0.00 0.00 57.07 56.40 1pk8 s TYR 326 Cb -0.08 -0.74 -0.03 0.00 -0.40 0.00 0.00 41.96 40.71 1pk8 s TYR 326 CO 0.00 0.00 -0.02 1.41 -1.57 0.00 0.00 175.55 175.37 1pk8 s MET 327 N -0.68 3.20 -0.06 -0.62 -2.45 0.16 -0.99 119.30 117.87 1pk8 s MET 327 Ca 0.03 -0.47 0.03 0.00 -1.25 0.00 0.00 55.69 54.03 1pk8 s MET 327 Cb -0.06 -2.81 0.01 0.00 1.25 0.00 0.00 34.83 33.22 1pk8 s MET 327 CO 0.00 0.52 -0.15 0.50 1.05 0.00 0.00 175.02 176.95 1pk8 s ARG 328 N -0.40 1.81 -0.02 4.11 3.52 0.47 -1.16 118.95 127.29 1pk8 s ARG 328 Ca 0.07 -0.51 0.05 0.00 -0.13 0.00 0.00 55.73 55.20 1pk8 s ARG 328 Cb -0.12 -1.51 -0.01 0.00 -1.56 0.00 0.00 34.95 31.75 1pk8 s ARG 328 CO 0.02 0.11 -0.15 0.99 -0.81 0.00 0.00 175.30 175.46 1pk8 s THR 329 N 0.41 1.21 0.29 4.11 2.01 -0.00 -2.05 115.64 121.62 1pk8 s THR 329 Ca -0.11 -0.65 -0.17 0.00 0.31 0.00 0.00 61.69 61.08 1pk8 s THR 329 Cb -0.14 -1.01 -0.09 0.00 0.01 0.00 0.00 72.50 71.27 1pk8 s THR 329 CO 0.04 0.34 0.74 -0.55 -0.69 0.00 0.00 174.62 174.50 1pk8 s SER 330 N -0.29 6.89 -0.12 3.53 0.15 -1.26 0.85 113.70 123.45 1pk8 s SER 330 Ca 0.04 1.34 0.20 0.00 0.70 0.00 0.00 55.95 58.23 1pk8 s SER 330 Cb -0.07 -2.39 0.44 0.00 -1.71 0.00 0.00 66.02 62.29 1pk8 s SER 330 CO -0.00 -0.12 1.17 1.33 1.20 0.00 0.00 173.24 176.83 1pk8 n VAL 331 N 0.05 1.01 -1.13 4.45 0.24 -1.18 -4.74 118.33 117.02 1pk8 n VAL 331 Ca 0.01 -2.19 0.00 0.00 -2.04 0.00 0.00 64.34 60.12 1pk8 n VAL 331 Cb 0.52 0.55 0.00 0.00 -1.47 0.00 0.00 33.84 33.44 1pk8 n VAL 331 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1pk8 n SER 332 N -0.21 0.00 -1.51 -1.34 3.41 -1.26 -4.94 113.62 107.78 1pk8 n SER 332 Ca 0.13 -1.11 -0.14 0.00 -0.26 0.00 0.00 58.87 57.49 1pk8 n SER 332 Cb 0.96 -0.02 -0.02 0.00 -0.26 0.00 0.00 64.21 64.87 1pk8 n SER 332 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pk8 n GLY 333 N 0.00 0.10 3.59 5.00 0.00 -1.26 -5.00 105.19 107.62 1pk8 n GLY 333 Ca 0.00 -0.31 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 1pk8 n GLY 333 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pk8 s ASN 334 N -2.46 5.96 0.48 1.61 0.01 -1.26 -4.94 114.94 114.35 1pk8 s ASN 334 Ca 0.00 -0.01 0.22 0.00 -0.71 0.00 0.00 52.86 52.36 1pk8 s ASN 334 Cb 0.00 -2.10 1.23 0.00 0.41 0.00 0.00 41.25 40.79 1pk8 s ASN 334 CO 0.00 -0.03 2.02 4.11 -1.51 0.00 0.00 177.10 181.69 1pk8 h TRP 335 N 8.22 0.00 -2.48 2.20 5.08 -1.94 -3.32 115.95 123.71 1pk8 h TRP 335 Ca -0.36 0.00 -0.61 0.00 1.08 0.00 0.00 58.89 59.00 1pk8 h TRP 335 Cb 1.19 0.00 -0.13 0.00 -3.00 0.00 0.00 29.16 27.22 1pk8 h TRP 335 CO 0.74 0.16 0.75 0.15 -1.28 0.00 0.00 178.44 178.96 1pk8 s LYS 336 N -4.35 3.19 0.00 0.12 1.02 -1.26 -4.88 119.74 113.58 1pk8 s LYS 336 Ca -0.03 -0.76 0.18 0.00 0.02 0.00 0.00 55.97 55.38 1pk8 s LYS 336 Cb 0.14 -4.32 1.02 0.00 -0.52 0.00 0.00 37.83 34.15 1pk8 s LYS 336 CO 0.64 -1.92 1.51 0.25 -0.92 0.00 0.00 175.35 174.90 1pk8 n THR 337 N 6.06 0.18 0.36 2.17 -2.24 -1.25 -1.35 114.28 118.21 1pk8 n THR 337 Ca 0.02 0.04 0.11 0.00 -2.27 0.00 0.00 64.05 61.95 1pk8 n THR 337 Cb 0.47 -0.76 0.17 0.00 -2.10 0.00 0.00 70.33 68.12 1pk8 n THR 337 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 1pk8 n ASN 338 N -1.10 3.18 -4.00 3.42 6.94 -1.26 -4.74 115.26 117.69 1pk8 n ASN 338 Ca 0.12 -1.93 -0.31 0.00 -0.02 0.00 0.00 54.58 52.44 1pk8 n ASN 338 Cb 0.09 -0.19 -0.15 0.00 -2.36 0.00 0.00 39.78 37.17 1pk8 n ASN 338 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1pk8 s THR 339 N -1.43 2.05 0.00 5.53 2.01 -0.46 -4.97 115.64 118.36 1pk8 s THR 339 Ca 0.33 -1.91 0.00 0.00 0.31 0.00 0.00 61.69 60.42 1pk8 s THR 339 Cb 0.20 -2.37 0.00 0.00 0.01 0.00 0.00 72.50 70.34 1pk8 s THR 339 CO 0.28 -0.36 0.00 0.61 -0.69 0.00 0.00 174.62 174.46 1pk8 n GLY 340 N 4.40 0.91 3.78 4.40 0.00 -1.26 -4.78 105.19 112.64 1pk8 n GLY 340 Ca -0.04 -2.15 -0.37 0.00 0.00 0.00 0.00 46.02 43.46 1pk8 n GLY 340 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pk8 s SER 341 N 0.00 6.45 0.25 1.61 1.04 -1.26 -5.01 113.70 116.79 1pk8 s SER 341 Ca 0.00 2.19 -0.14 0.00 0.48 0.00 0.00 55.95 58.47 1pk8 s SER 341 Cb 0.00 -2.60 -0.00 0.00 0.10 0.00 0.00 66.02 63.52 1pk8 s SER 341 CO 0.00 -0.71 0.52 0.00 0.98 0.00 0.00 173.24 174.03 1pk8 s ALA 342 N -1.59 -0.41 -0.13 5.32 0.00 -1.26 -3.12 121.76 120.56 1pk8 s ALA 342 Ca 0.61 -0.78 -0.03 0.00 0.00 0.00 0.00 51.96 51.76 1pk8 s ALA 342 Cb -0.26 1.03 -0.03 0.00 0.00 0.00 0.00 23.12 23.87 1pk8 s ALA 342 CO 0.32 -0.89 -0.03 -1.64 0.00 0.00 0.00 175.76 173.52 1pk8 s MET 343 N -4.00 3.44 -0.09 0.00 -1.94 0.25 -4.92 119.30 112.04 1pk8 s MET 343 Ca 0.20 -0.49 -0.00 0.00 -1.71 0.00 0.00 55.69 53.70 1pk8 s MET 343 Cb -0.02 -2.87 -0.03 0.00 2.01 0.00 0.00 34.83 33.92 1pk8 s MET 343 CO 0.09 0.40 -0.06 -0.51 -0.01 0.00 0.00 175.02 174.93 1pk8 s LEU 344 N -0.05 3.22 -0.07 -0.03 1.43 -1.26 -0.82 118.68 121.09 1pk8 s LEU 344 Ca 0.02 -0.03 -0.02 0.00 -1.03 0.00 0.00 54.13 53.07 1pk8 s LEU 344 Cb -0.13 -1.72 0.03 0.00 0.03 0.00 0.00 46.19 44.41 1pk8 s LEU 344 CO 0.02 0.33 0.04 -0.70 0.23 0.00 0.00 176.35 176.27 1pk8 s GLU 345 N -0.59 0.23 0.24 1.70 2.56 -0.30 -4.99 118.70 117.55 1pk8 s GLU 345 Ca 0.09 0.19 -0.30 0.00 0.00 0.00 0.00 54.97 54.96 1pk8 s GLU 345 Cb -0.12 -0.89 -0.09 0.00 2.00 0.00 0.00 34.13 35.03 1pk8 s GLU 345 CO 0.02 -0.37 1.13 -1.14 -0.56 0.00 0.00 175.26 174.34 1pk8 s GLN 346 N 2.08 4.59 0.29 4.30 0.74 -1.26 -0.66 119.66 129.73 1pk8 s GLN 346 Ca 0.04 1.82 0.07 0.00 0.05 0.00 0.00 55.36 57.34 1pk8 s GLN 346 Cb -0.13 -3.21 -0.06 0.00 1.10 0.00 0.00 33.01 30.71 1pk8 s GLN 346 CO -0.05 0.11 -0.07 0.96 -0.55 0.00 0.00 175.29 175.69 1pk8 s ILE 347 N -0.77 1.77 0.41 -2.34 -4.36 -0.19 -4.91 121.20 110.81 1pk8 s ILE 347 Ca 0.47 -2.15 -0.25 0.00 -0.26 0.00 0.00 60.65 58.46 1pk8 s ILE 347 Cb -0.32 -2.45 -0.08 0.00 1.25 0.00 0.00 42.46 40.85 1pk8 s ILE 347 CO 0.39 -0.30 1.23 0.00 0.24 0.00 0.00 174.94 176.51 1pk8 s ALA 348 N -2.93 3.19 0.39 2.27 0.00 -1.26 -4.03 121.76 119.38 1pk8 s ALA 348 Ca 0.30 1.10 -0.24 0.00 0.00 0.00 0.00 51.96 53.11 1pk8 s ALA 348 Cb 0.03 -3.43 -0.09 0.00 0.00 0.00 0.00 23.12 19.62 1pk8 s ALA 348 CO 0.12 -0.69 1.04 -1.64 0.00 0.00 0.00 175.76 174.60 1pk8 s MET 349 N -2.29 4.22 0.33 0.00 -1.94 -1.26 -4.88 119.30 113.48 1pk8 s MET 349 Ca 0.57 1.51 0.06 0.00 -1.71 0.00 0.00 55.69 56.13 1pk8 s MET 349 Cb -0.34 -2.59 -0.07 0.00 2.01 0.00 0.00 34.83 33.84 1pk8 s MET 349 CO 0.43 -0.09 -0.02 -1.54 -0.01 0.00 0.00 175.02 173.79 1pk8 s SER 350 N -1.54 3.09 0.38 3.03 1.04 -1.26 -5.01 113.70 113.42 1pk8 s SER 350 Ca 0.57 -1.28 0.12 0.00 0.48 0.00 0.00 55.95 55.83 1pk8 s SER 350 Cb -0.22 -0.23 0.74 0.00 0.10 0.00 0.00 66.02 66.41 1pk8 s SER 350 CO 0.28 -0.41 1.85 0.44 0.98 0.00 0.00 173.24 176.37 1pk8 h ASP 351 N 2.08 0.05 0.51 7.02 3.32 -1.98 -0.88 116.42 126.53 1pk8 h ASP 351 Ca -0.41 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.60 1pk8 h ASP 351 Cb 1.24 -0.01 0.01 0.00 0.22 0.00 0.00 39.33 40.78 1pk8 h ASP 351 CO 0.72 0.37 -0.25 -0.09 -1.72 0.00 0.00 179.24 178.27 1pk8 h ARG 352 N 0.05 -0.66 -1.00 3.56 2.43 -1.97 -1.33 114.38 115.45 1pk8 h ARG 352 Ca 0.00 0.05 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 1pk8 h ARG 352 Cb 0.60 0.15 -0.05 0.00 -0.42 0.00 0.00 29.97 30.25 1pk8 h ARG 352 CO 0.04 -0.38 0.65 1.88 -1.51 0.00 0.00 179.97 180.65 1pk8 h TYR 353 N -0.83 1.27 -0.91 2.20 0.05 -1.91 -2.68 116.97 114.15 1pk8 h TYR 353 Ca -0.07 0.02 -0.00 0.00 0.05 0.00 0.00 58.73 58.73 1pk8 h TYR 353 Cb 0.59 -0.43 -0.04 0.00 1.01 0.00 0.00 36.73 37.86 1pk8 h TYR 353 CO -0.01 0.81 0.55 -0.22 -1.05 0.00 0.00 178.16 178.24 1pk8 h LYS 354 N 1.36 1.23 -0.67 4.88 3.64 -1.02 -2.39 116.57 123.59 1pk8 h LYS 354 Ca 0.36 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.59 1pk8 h LYS 354 Cb -0.14 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 31.40 1pk8 h LYS 354 CO -0.08 0.85 0.25 1.25 -2.27 0.00 0.00 179.45 179.45 1pk8 h LEU 355 N 1.25 0.94 0.39 5.20 5.85 -0.93 -0.75 115.31 127.26 1pk8 h LEU 355 Ca 0.33 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.85 1pk8 h LEU 355 Cb -0.07 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 40.69 1pk8 h LEU 355 CO -0.06 0.88 -0.50 -0.50 -0.34 0.00 0.00 178.44 177.91 1pk8 h TRP 356 N 0.96 -1.41 0.00 1.25 6.55 -1.12 -0.55 115.95 121.62 1pk8 h TRP 356 Ca 0.22 0.02 -0.09 0.00 0.95 0.00 0.00 58.89 59.99 1pk8 h TRP 356 Cb 0.24 0.56 -0.01 0.00 -0.86 0.00 0.00 29.16 29.10 1pk8 h TRP 356 CO 0.02 -0.65 -0.43 -0.24 -1.05 0.00 0.00 178.44 176.09 1pk8 h VAL 357 N -0.93 0.98 -0.02 1.49 3.04 -1.51 -2.09 116.25 117.22 1pk8 h VAL 357 Ca -0.04 -1.67 -0.01 0.00 -1.01 0.00 0.00 66.70 63.97 1pk8 h VAL 357 Cb 0.84 2.00 -0.00 0.00 -2.01 0.00 0.00 31.29 32.11 1pk8 h VAL 357 CO -0.13 0.42 -0.01 0.44 -1.01 0.00 0.00 177.57 177.28 1pk8 h ASP 358 N 0.00 0.04 -0.66 3.17 3.32 -0.96 -0.56 116.42 120.77 1pk8 h ASP 358 Ca -0.00 -0.44 -0.03 0.00 0.02 0.00 0.00 57.03 56.58 1pk8 h ASP 358 Cb 0.96 -0.01 -0.03 0.00 0.22 0.00 0.00 39.33 40.47 1pk8 h ASP 358 CO 0.06 0.47 0.31 0.71 -1.72 0.00 0.00 179.24 179.07 1pk8 h THR 359 N -0.39 1.23 0.00 0.35 1.35 -1.06 -2.68 112.91 111.70 1pk8 h THR 359 Ca 0.00 -0.65 -0.11 0.00 -0.55 0.00 0.00 66.41 65.11 1pk8 h THR 359 Cb 0.46 0.43 -0.02 0.00 -1.73 0.00 0.00 68.15 67.29 1pk8 h THR 359 CO 0.00 0.27 -0.50 0.00 -0.25 0.00 0.00 175.52 175.04 1pk8 n SER 361 N -3.93 0.00 0.01 0.00 3.41 -0.22 -2.54 113.62 110.35 1pk8 n SER 361 Ca -0.01 0.15 0.11 0.00 -0.26 0.00 0.00 58.87 58.86 1pk8 n SER 361 Cb 0.52 -0.31 0.05 0.00 -0.26 0.00 0.00 64.21 64.22 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 -1.31 0.13 -1.27 4.33 1.02 -1.14 -0.17 120.64 122.23 1pk8 n GLU 362 Ca 0.05 -0.00 -0.32 0.00 -0.02 0.00 0.00 57.16 56.87 1pk8 n GLU 362 Cb 0.10 -1.54 0.10 0.00 -0.02 0.00 0.00 31.44 30.08 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 -3.09 2.94 -1.61 -3.67 -4.36 -1.05 -3.02 121.20 107.34 1pk8 s ILE 363 Ca 0.07 0.35 -0.16 0.00 -0.26 0.00 0.00 60.65 60.64 1pk8 s ILE 363 Cb 0.16 -2.76 0.13 0.00 1.25 0.00 0.00 42.46 41.24 1pk8 s ILE 363 CO 0.79 -0.36 0.83 0.49 0.24 0.00 0.00 174.94 176.93 1pk8 n PHE 364 N -3.35 -1.94 -0.23 1.37 3.72 -1.26 -1.10 117.46 114.68 1pk8 n PHE 364 Ca 0.10 0.80 0.00 0.00 -0.05 0.00 0.00 57.45 58.31 1pk8 n PHE 364 Cb 0.52 -3.28 0.00 0.00 -0.94 0.00 0.00 39.48 35.78 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 -1.47 1.44 0.00 1.37 0.00 -1.24 -4.33 105.19 100.96 1pk8 n GLY 365 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 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 3.29 3.43 -0.02 0.00 -0.26 -5.04 105.19 104.59 1pk8 n GLY 366 Ca 0.00 -1.23 -0.36 0.00 0.00 0.00 0.00 46.02 44.43 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 3.36 0.19 0.99 1.43 0.76 -4.65 118.68 120.77 1pk8 s LEU 367 Ca 0.00 -0.23 -0.01 0.00 -1.03 0.00 0.00 54.13 52.86 1pk8 s LEU 367 Cb 0.00 -1.90 0.11 0.00 0.03 0.00 0.00 46.19 44.44 1pk8 s LEU 367 CO 0.00 -0.03 1.48 0.44 0.23 0.00 0.00 176.35 178.47 1pk8 h ASP 368 N 8.20 0.48 -3.19 2.29 3.32 -1.91 -3.42 116.42 122.18 1pk8 h ASP 368 Ca -0.39 -0.29 -0.54 0.00 0.02 0.00 0.00 57.03 55.84 1pk8 h ASP 368 Cb 1.17 -0.14 -0.36 0.00 0.22 0.00 0.00 39.33 40.22 1pk8 h ASP 368 CO 0.58 1.00 -0.81 -0.63 -1.72 0.00 0.00 179.24 177.66 1pk8 s ILE 369 N -3.76 1.12 0.25 0.35 1.01 -1.26 -1.78 121.20 117.13 1pk8 s ILE 369 Ca -0.06 -0.36 -0.22 0.00 0.00 0.00 0.00 60.65 60.02 1pk8 s ILE 369 Cb 0.11 -1.11 0.03 0.00 0.01 0.00 0.00 42.46 41.50 1pk8 s ILE 369 CO 0.83 0.38 0.73 0.00 0.00 0.00 0.00 174.94 176.88 1pk8 s ALA 371 N -3.84 -1.19 -0.13 0.00 0.00 -0.81 -0.21 121.76 115.59 1pk8 s ALA 371 Ca 0.10 0.43 0.01 0.00 0.00 0.00 0.00 51.96 52.50 1pk8 s ALA 371 Cb -0.05 0.43 -0.00 0.00 0.00 0.00 0.00 23.12 23.49 1pk8 s ALA 371 CO 0.04 -0.51 -0.18 0.08 0.00 0.00 0.00 175.76 175.18 1pk8 s VAL 372 N -2.66 2.51 -0.14 0.00 1.01 0.39 -0.62 120.40 120.90 1pk8 s VAL 372 Ca -0.04 -0.84 -0.06 0.00 0.00 0.00 0.00 61.98 61.04 1pk8 s VAL 372 Cb -0.00 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.31 1pk8 s VAL 372 CO -0.04 0.53 0.06 -1.61 0.00 0.00 0.00 175.10 174.04 1pk8 s GLU 373 N 0.58 3.57 0.02 2.72 2.02 0.77 -1.00 118.70 127.37 1pk8 s GLU 373 Ca -0.11 -0.33 0.00 0.00 0.02 0.00 0.00 54.97 54.56 1pk8 s GLU 373 Cb -0.16 -3.07 -0.02 0.00 0.10 0.00 0.00 34.13 30.98 1pk8 s GLU 373 CO 0.03 0.50 -0.03 0.00 0.02 0.00 0.00 175.26 175.79 1pk8 s ALA 374 N -0.28 0.10 -0.13 5.21 0.00 -0.40 -0.64 121.76 125.62 1pk8 s ALA 374 Ca 0.08 -0.51 -0.07 0.00 0.00 0.00 0.00 51.96 51.46 1pk8 s ALA 374 Cb -0.12 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1pk8 s ALA 374 CO 0.02 -0.14 0.12 -0.51 0.00 0.00 0.00 175.76 175.25 1pk8 s LEU 375 N -1.26 4.26 -0.39 0.00 1.43 0.14 -0.59 118.68 122.28 1pk8 s LEU 375 Ca -0.14 0.39 -0.08 0.00 -1.03 0.00 0.00 54.13 53.27 1pk8 s LEU 375 Cb -0.09 -2.05 0.06 0.00 0.03 0.00 0.00 46.19 44.15 1pk8 s LEU 375 CO -0.01 0.36 0.21 -2.28 0.23 0.00 0.00 176.35 174.86 1pk8 s HIS 376 N -0.74 3.31 0.84 0.29 5.65 0.03 -0.20 115.29 124.48 1pk8 s HIS 376 Ca 0.13 -1.47 -0.11 0.00 0.25 0.00 0.00 55.06 53.86 1pk8 s HIS 376 Cb -0.12 -2.71 0.10 0.00 -1.18 0.00 0.00 32.58 28.67 1pk8 s HIS 376 CO 0.03 -0.80 1.13 0.20 -0.65 0.00 0.00 174.74 174.65 1pk8 s GLY 377 N 1.83 1.75 0.49 1.59 0.00 0.21 -0.81 107.32 112.37 1pk8 s GLY 377 Ca 0.02 0.49 0.28 0.00 0.00 0.00 0.00 44.72 45.50 1pk8 s GLY 377 CO 0.03 0.87 1.87 0.50 0.00 0.00 0.00 173.10 176.37 1pk8 h LYS 378 N -1.40 0.00 -0.09 2.90 1.57 -1.72 -2.33 116.57 115.50 1pk8 h LYS 378 Ca -0.44 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.34 1pk8 h LYS 378 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.56 1pk8 h LYS 378 CO 0.46 0.12 0.00 -0.40 -0.57 0.00 0.00 179.45 179.06 1pk8 n ASP 379 N -3.24 0.51 0.00 0.86 5.68 -1.26 -4.88 116.55 114.22 1pk8 n ASP 379 Ca 0.01 -1.95 0.00 0.00 -0.50 0.00 0.00 54.79 52.34 1pk8 n ASP 379 Cb 0.39 -0.06 0.00 0.00 -1.14 0.00 0.00 41.12 40.31 1pk8 n ASP 379 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pk8 n GLY 380 N 0.68 1.35 3.77 6.12 0.00 -0.88 -5.05 105.19 111.18 1pk8 n GLY 380 Ca 0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.43 4.36 0.13 1.61 0.52 -1.26 -4.81 118.95 119.08 1pk8 s ARG 381 Ca 0.00 0.85 -0.04 0.00 -0.52 0.00 0.00 55.73 56.02 1pk8 s ARG 381 Cb 0.00 -3.32 -0.05 0.00 0.52 0.00 0.00 34.95 32.10 1pk8 s ARG 381 CO 0.00 0.43 0.35 -0.51 0.02 0.00 0.00 175.30 175.59 1pk8 s ASP 382 N -0.46 6.47 -0.17 0.23 1.01 -1.26 0.68 116.67 123.17 1pk8 s ASP 382 Ca 0.33 0.54 -0.04 0.00 0.71 0.00 0.00 52.55 54.08 1pk8 s ASP 382 Cb -0.20 -2.07 0.07 0.00 1.01 0.00 0.00 42.92 41.73 1pk8 s ASP 382 CO 0.20 0.07 0.13 -1.00 0.21 0.00 0.00 175.17 174.78 1pk8 s HIS 383 N -1.63 0.03 0.15 4.23 3.76 0.73 -4.82 115.29 117.74 1pk8 s HIS 383 Ca 0.40 -0.08 -0.30 0.00 -0.15 0.00 0.00 55.06 54.92 1pk8 s HIS 383 Cb -0.12 -0.56 -0.07 0.00 1.11 0.00 0.00 32.58 32.93 1pk8 s HIS 383 CO 0.25 -0.50 1.14 0.42 -0.85 0.00 0.00 174.74 175.20 1pk8 s ILE 384 N 2.20 3.86 0.00 0.60 1.01 0.37 0.27 121.20 129.52 1pk8 s ILE 384 Ca 0.04 1.52 0.00 0.00 0.00 0.00 0.00 60.65 62.20 1pk8 s ILE 384 Cb -0.15 -3.97 0.00 0.00 0.01 0.00 0.00 42.46 38.35 1pk8 s ILE 384 CO -0.09 0.22 0.05 2.30 0.00 0.00 0.00 174.94 177.41 1pk8 n ILE 385 N 2.81 0.00 0.00 2.92 -5.35 0.19 -0.79 119.36 119.15 1pk8 n ILE 385 Ca 0.05 -0.45 0.00 0.00 -0.27 0.00 0.00 62.75 62.08 1pk8 n ILE 385 Cb 0.46 1.01 0.00 0.00 -1.74 0.00 0.00 39.64 39.37 1pk8 n ILE 385 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 1pk8 n GLU 386 N -0.79 0.00 -5.06 6.28 2.13 -1.17 -5.00 120.64 117.02 1pk8 n GLU 386 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 1pk8 n GLU 386 Cb 0.00 0.00 -0.17 0.00 0.27 0.00 0.00 31.44 31.55 1pk8 n GLU 386 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1pk8 s VAL 387 N -2.00 1.80 0.20 6.31 0.11 -1.26 -0.16 120.40 125.39 1pk8 s VAL 387 Ca 0.00 -0.89 0.08 0.00 -2.93 0.00 0.00 61.98 58.25 1pk8 s VAL 387 Cb 0.00 -1.56 -0.04 0.00 -1.53 0.00 0.00 36.38 33.25 1pk8 s VAL 387 CO 0.00 0.50 -0.04 0.68 -3.33 0.00 0.00 175.10 172.91 1pk8 s VAL 388 N 0.25 3.43 0.00 2.04 -7.23 0.21 -4.95 120.40 114.15 1pk8 s VAL 388 Ca -0.13 -1.64 0.00 0.00 -1.81 0.00 0.00 61.98 58.41 1pk8 s VAL 388 Cb -0.16 -2.74 0.00 0.00 0.56 0.00 0.00 36.38 34.04 1pk8 s VAL 388 CO 0.06 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.29 1pk8 n GLY 389 N -0.23 1.67 0.00 2.32 0.00 -1.26 -1.92 105.19 105.77 1pk8 n GLY 389 Ca -0.09 -1.79 0.04 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.37 1.61 3.41 -1.11 -1.90 113.62 114.26 1pk8 n SER 390 Ca 0.00 0.15 0.08 0.00 -0.26 0.00 0.00 58.87 58.84 1pk8 n SER 390 Cb 0.00 -0.27 0.32 0.00 -0.26 0.00 0.00 64.21 64.01 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 -1.27 4.62 -4.77 4.04 3.41 -1.26 -4.23 113.62 114.17 1pk8 n SER 391 Ca 0.04 -2.74 -0.41 0.00 -0.26 0.00 0.00 58.87 55.50 1pk8 n SER 391 Cb 0.06 -0.57 -0.02 0.00 -0.26 0.00 0.00 64.21 63.42 1pk8 n SER 391 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pk8 s MET 392 N -2.37 4.28 0.38 4.33 0.00 -0.80 -4.78 119.30 120.35 1pk8 s MET 392 Ca 0.47 2.31 -0.26 0.00 0.00 0.00 0.00 55.69 58.21 1pk8 s MET 392 Cb 0.34 -3.06 -0.09 0.00 0.00 0.00 0.00 34.83 32.03 1pk8 s MET 392 CO 0.16 -0.31 1.22 -1.25 0.00 0.00 0.00 175.02 174.84 1pk8 s PRO 393 N -1.59 4.13 0.19 3.16 0.04 -1.26 -4.98 135.00 134.68 1pk8 s PRO 393 Ca 0.52 1.98 -0.29 0.00 0.04 0.00 0.00 61.00 63.25 1pk8 s PRO 393 Cb -0.42 -2.81 -0.08 0.00 0.04 0.00 0.00 34.50 31.24 1pk8 s PRO 393 CO 0.53 -0.30 0.91 -0.51 0.04 0.00 0.00 177.00 177.68 1pk8 s LEU 394 N -2.27 4.60 0.29 -3.56 1.43 -1.26 -5.04 118.68 112.86 1pk8 s LEU 394 Ca 0.55 1.84 0.02 0.00 -1.03 0.00 0.00 54.13 55.51 1pk8 s LEU 394 Cb -0.34 -3.54 -0.05 0.00 0.03 0.00 0.00 46.19 42.30 1pk8 s LEU 394 CO 0.44 0.11 0.11 0.27 0.23 0.00 0.00 176.35 177.51 1pk8 s ILE 395 N -0.86 0.56 0.00 -0.59 -4.36 -1.26 -5.00 121.20 109.70 1pk8 s ILE 395 Ca 0.41 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.80 1pk8 s ILE 395 Cb -0.25 -2.60 0.00 0.00 1.25 0.00 0.00 42.46 40.86 1pk8 s ILE 395 CO 0.30 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.09 1pk8 n GLY 396 N -0.55 -1.37 1.66 6.27 0.00 -1.26 -4.22 105.19 105.72 1pk8 n GLY 396 Ca -0.00 -1.28 0.08 0.00 0.00 0.00 0.00 46.02 44.82 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 -0.16 5.15 -0.47 1.61 5.75 -1.26 -4.26 116.55 122.90 1pk8 n ASP 397 Ca 0.00 -2.72 0.07 0.00 -0.01 0.00 0.00 54.79 52.12 1pk8 n ASP 397 Cb 0.00 -0.62 0.13 0.00 -1.03 0.00 0.00 41.12 39.60 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 0.74 0.00 -0.21 2.11 8.25 -1.26 -4.80 115.22 120.04 1pk8 n HIS 398 Ca 0.26 -0.99 -0.01 0.00 -0.26 0.00 0.00 57.72 56.72 1pk8 n HIS 398 Cb 1.03 -0.17 0.20 0.00 1.12 0.00 0.00 29.99 32.17 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 0.47 0.99 -0.18 -0.41 4.20 -1.74 -0.03 115.11 118.41 1pk8 h GLN 399 Ca -0.03 -0.11 -0.10 0.00 0.06 0.00 0.00 58.65 58.47 1pk8 h GLN 399 Cb 1.15 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 1pk8 h GLN 399 CO 0.01 0.73 -0.34 0.22 -0.67 0.00 0.00 178.83 178.78 1pk8 h ASP 400 N 1.00 0.38 -0.25 1.46 3.58 -1.94 -1.52 116.42 119.12 1pk8 h ASP 400 Ca 0.25 -0.14 -0.10 0.00 0.42 0.00 0.00 57.03 57.46 1pk8 h ASP 400 Cb 0.02 -0.11 -0.00 0.00 1.72 0.00 0.00 39.33 40.96 1pk8 h ASP 400 CO -0.04 0.70 -0.24 -0.08 -2.88 0.00 0.00 179.24 176.70 1pk8 h GLU 401 N 0.32 0.61 -0.77 0.28 4.81 -1.71 -2.58 114.58 115.54 1pk8 h GLU 401 Ca 0.04 -0.32 0.02 0.00 -0.13 0.00 0.00 59.36 58.97 1pk8 h GLU 401 Cb 0.75 0.01 -0.04 0.00 0.63 0.00 0.00 28.75 30.10 1pk8 h GLU 401 CO 0.06 0.91 0.50 -0.44 -0.73 0.00 0.00 179.01 179.31 1pk8 h ASP 402 N 0.33 0.86 -0.68 1.04 3.32 -0.82 0.15 116.42 120.61 1pk8 h ASP 402 Ca 0.04 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.05 1pk8 h ASP 402 Cb 0.79 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 40.11 1pk8 h ASP 402 CO 0.06 0.61 0.33 0.11 -1.72 0.00 0.00 179.24 178.63 1pk8 h LYS 403 N 1.01 1.00 -0.16 3.56 1.57 -1.24 0.11 116.57 122.43 1pk8 h LYS 403 Ca 0.29 -0.14 -0.14 0.00 -1.87 0.00 0.00 60.65 58.79 1pk8 h LYS 403 Cb -0.08 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 1pk8 h LYS 403 CO -0.08 0.78 -0.50 1.96 -0.57 0.00 0.00 179.45 181.04 1pk8 h GLN 404 N 0.99 0.43 -0.53 3.15 4.20 -0.94 -1.50 115.11 120.91 1pk8 h GLN 404 Ca 0.24 -0.25 -0.08 0.00 0.06 0.00 0.00 58.65 58.62 1pk8 h GLN 404 Cb 0.11 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.89 1pk8 h GLN 404 CO -0.03 0.84 -0.00 -0.07 -0.67 0.00 0.00 178.83 178.89 1pk8 h LEU 405 N 0.34 0.88 -0.81 1.46 3.38 0.20 -2.07 115.31 118.68 1pk8 h LEU 405 Ca 0.01 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.65 1pk8 h LEU 405 Cb 1.00 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.50 1pk8 h LEU 405 CO 0.09 0.94 -0.23 0.40 0.09 0.00 0.00 178.44 179.73 1pk8 h ILE 406 N 0.84 1.27 -0.10 1.22 2.04 -0.44 -1.77 117.51 120.56 1pk8 h ILE 406 Ca 0.16 -1.29 -0.01 0.00 1.00 0.00 0.00 64.86 64.71 1pk8 h ILE 406 Cb 0.50 1.26 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 1pk8 h ILE 406 CO 0.02 0.42 0.04 0.58 0.00 0.00 0.00 178.15 179.22 1pk8 h VAL 407 N 0.56 1.16 -0.49 1.67 2.07 -0.99 0.15 116.25 120.39 1pk8 h VAL 407 Ca 0.08 -0.48 0.08 0.00 0.82 0.00 0.00 66.70 67.19 1pk8 h VAL 407 Cb 0.69 1.29 -0.06 0.00 -1.52 0.00 0.00 31.29 31.69 1pk8 h VAL 407 CO 0.05 0.14 0.13 -0.08 0.02 0.00 0.00 177.57 177.84 1pk8 h GLU 408 N -0.00 0.28 0.07 1.57 4.81 -1.21 0.39 114.58 120.48 1pk8 h GLU 408 Ca 0.03 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.24 1pk8 h GLU 408 Cb 0.19 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.51 1pk8 h GLU 408 CO -0.00 0.18 -0.03 1.25 -0.73 0.00 0.00 179.01 179.68 1pk8 h LEU 409 N 0.28 -0.07 -0.33 1.64 5.85 -1.19 -1.41 115.31 120.08 1pk8 h LEU 409 Ca 0.24 -0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1pk8 h LEU 409 Cb 0.29 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 1pk8 h LEU 409 CO -0.28 0.10 0.16 0.58 -0.34 0.00 0.00 178.44 178.65 1pk8 h VAL 410 N -0.25 1.16 -0.59 1.05 2.07 -0.52 -0.40 116.25 118.78 1pk8 h VAL 410 Ca -0.01 -0.44 0.05 0.00 0.82 0.00 0.00 66.70 67.11 1pk8 h VAL 410 Cb 0.21 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 30.78 1pk8 h VAL 410 CO 0.01 0.16 0.32 0.58 0.02 0.00 0.00 177.57 178.67 1pk8 h VAL 411 N 0.40 0.98 -0.77 2.57 2.07 -0.21 0.31 116.25 121.61 1pk8 h VAL 411 Ca 0.11 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.38 1pk8 h VAL 411 Cb 0.11 0.31 -0.03 0.00 -1.52 0.00 0.00 31.29 30.16 1pk8 h VAL 411 CO -0.01 0.11 0.31 0.78 0.02 0.00 0.00 177.57 178.77 1pk8 h ASN 412 N 0.62 1.05 -0.21 0.57 2.35 -0.93 -0.62 115.58 118.41 1pk8 h ASN 412 Ca 0.26 -0.16 -0.12 0.00 -0.55 0.00 0.00 56.30 55.72 1pk8 h ASN 412 Cb 0.13 -0.27 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 1pk8 h ASN 412 CO -0.16 0.93 -0.30 0.11 -1.65 0.00 0.00 177.43 176.37 1pk8 h LYS 413 N 1.12 0.70 -0.49 0.81 1.79 -0.15 -2.86 116.57 117.49 1pk8 h LYS 413 Ca 0.26 -0.31 -0.10 0.00 -2.18 0.00 0.00 60.65 58.31 1pk8 h LYS 413 Cb 0.21 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.82 1pk8 h LYS 413 CO -0.02 0.92 -0.09 0.52 -1.08 0.00 0.00 179.45 179.69 1pk8 h MET 414 N 0.60 0.89 -0.70 3.15 2.86 -0.04 -2.51 114.93 119.18 1pk8 h MET 414 Ca 0.07 -0.30 0.05 0.00 -2.06 0.00 0.00 59.70 57.46 1pk8 h MET 414 Cb 0.81 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 32.36 1pk8 h MET 414 CO 0.07 0.94 0.46 1.15 1.06 0.00 0.00 176.91 180.59 1pk8 h THR 415 N 0.80 1.05 -0.07 2.22 2.02 -0.91 -3.06 112.91 114.97 1pk8 h THR 415 Ca 0.13 -0.26 -0.69 0.00 0.77 0.00 0.00 66.41 66.36 1pk8 h THR 415 Cb 0.61 0.22 -0.03 0.00 -1.74 0.00 0.00 68.15 67.20 1pk8 h THR 415 CO 0.04 0.14 2.90 0.00 0.37 0.00 0.00 175.52 178.97 1pk8 n GLN 416 N -4.47 2.64 0.00 6.66 6.02 -0.95 -5.02 117.38 122.26 1pk8 n GLN 416 Ca 0.09 -2.53 0.00 0.00 -0.01 0.00 0.00 57.00 54.56 1pk8 n GLN 416 Cb 0.18 -3.25 0.00 0.00 1.02 0.00 0.00 30.24 28.19 1pk8 n GLN 416 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05