#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2jly s SER 169 N 0.00 0.01 0.31 1.61 1.04 -1.26 -3.90 113.70 111.50 2jly s SER 169 Ca 0.00 -0.75 -0.04 0.00 0.48 0.00 0.00 55.95 55.64 2jly s SER 169 Cb 0.00 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.55 2jly s SER 169 CO 0.00 -0.88 0.42 0.00 0.98 0.00 0.00 173.24 173.76 2jly s ALA 170 N -3.93 0.69 -1.48 5.32 0.00 -1.26 -4.99 121.76 116.11 2jly s ALA 170 Ca 0.13 -1.45 -0.05 0.00 0.00 0.00 0.00 51.96 50.58 2jly s ALA 170 Cb 0.03 1.19 0.02 0.00 0.00 0.00 0.00 23.12 24.36 2jly s ALA 170 CO -0.03 -0.77 0.50 -1.33 0.00 0.00 0.00 175.76 174.12 2jly n MET 171 N -0.50 -4.13 -0.88 0.00 0.00 -1.26 -1.54 117.12 108.81 2jly n MET 171 Ca 0.01 0.79 0.00 0.00 0.00 0.00 0.00 57.70 58.50 2jly n MET 171 Cb 0.62 -5.59 0.00 0.00 0.00 0.00 0.00 33.22 28.26 2jly n MET 171 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 2jly n GLY 172 N -1.36 0.00 3.84 3.03 0.00 -1.26 -4.95 105.19 104.49 2jly n GLY 172 Ca -0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.59 2jly n GLY 172 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jly s GLU 173 N -1.77 4.08 0.75 1.61 2.02 -0.59 -4.64 118.70 120.16 2jly s GLU 173 Ca 0.00 0.94 -0.15 0.00 0.02 0.00 0.00 54.97 55.78 2jly s GLU 173 Cb 0.00 -2.24 0.05 0.00 0.10 0.00 0.00 34.13 32.04 2jly s GLU 173 CO 0.00 -0.05 1.23 -2.14 0.02 0.00 0.00 175.26 174.32 2jly s PRO 174 N -3.40 1.98 0.06 0.39 0.02 -1.26 -4.43 135.00 128.35 2jly s PRO 174 Ca 0.59 1.85 -0.30 0.00 0.02 0.00 0.00 61.00 63.16 2jly s PRO 174 Cb -0.10 -1.80 -0.04 0.00 0.02 0.00 0.00 34.50 32.58 2jly s PRO 174 CO 0.20 -1.98 0.98 0.34 -0.33 0.00 0.00 177.00 176.21 2jly s ASP 175 N -1.91 7.42 0.44 2.53 3.68 -1.26 -4.83 116.67 122.73 2jly s ASP 175 Ca 0.76 1.74 0.09 0.00 2.13 0.00 0.00 52.55 57.27 2jly s ASP 175 Cb -0.31 -2.58 0.95 0.00 -1.45 0.00 0.00 42.92 39.53 2jly s ASP 175 CO 0.46 -0.17 2.08 0.22 0.13 0.00 0.00 175.17 177.89 2jly h TYR 176 N 6.21 0.39 -3.64 -5.34 5.03 -1.94 -3.41 116.97 114.26 2jly h TYR 176 Ca -0.42 0.01 -0.62 0.00 2.58 0.00 0.00 58.73 60.28 2jly h TYR 176 Cb 1.22 -0.13 -0.14 0.00 1.55 0.00 0.00 36.73 39.23 2jly h TYR 176 CO 0.66 0.25 -0.17 -2.00 -1.32 0.00 0.00 178.16 175.58 2jly s GLU 177 N -5.37 4.06 -0.02 1.82 2.56 -1.26 -5.01 118.70 115.47 2jly s GLU 177 Ca -0.07 0.14 0.05 0.00 0.00 0.00 0.00 54.97 55.09 2jly s GLU 177 Cb 0.17 -3.63 -0.01 0.00 2.00 0.00 0.00 34.13 32.66 2jly s GLU 177 CO 0.72 -0.25 -0.16 0.08 -0.56 0.00 0.00 175.26 175.09 2jly s VAL 178 N 1.98 1.29 -0.22 3.70 1.01 -1.26 -4.86 120.40 122.04 2jly s VAL 178 Ca 0.17 -0.68 -0.29 0.00 0.00 0.00 0.00 61.98 61.19 2jly s VAL 178 Cb -0.16 -1.09 -0.02 0.00 0.00 0.00 0.00 36.38 35.11 2jly s VAL 178 CO 0.09 0.37 1.52 -0.62 0.00 0.00 0.00 175.10 176.46 2jly s ASP 179 N -0.21 6.52 0.59 3.32 -1.08 -1.26 -4.89 116.67 119.65 2jly s ASP 179 Ca 0.03 1.59 0.28 0.00 -0.52 0.00 0.00 52.55 53.93 2jly s ASP 179 Cb -0.08 -2.53 1.69 0.00 -1.46 0.00 0.00 42.92 40.54 2jly s ASP 179 CO 0.00 -1.15 2.15 1.05 0.52 0.00 0.00 175.17 177.75 2jly h GLU 180 N 10.09 0.00 -0.86 4.34 4.11 -2.03 -2.73 114.58 127.50 2jly h GLU 180 Ca -0.32 0.00 0.14 0.00 0.07 0.00 0.00 59.36 59.25 2jly h GLU 180 Cb 1.14 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.32 2jly h GLU 180 CO 1.00 0.00 0.56 0.22 0.07 0.00 0.00 179.01 180.86 2jly h ASP 181 N 0.00 0.61 0.96 3.06 3.58 -2.00 -2.70 116.42 119.93 2jly h ASP 181 Ca 0.06 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.54 2jly h ASP 181 Cb 0.31 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.27 2jly h ASP 181 CO -0.00 0.32 0.00 2.30 -2.88 0.00 0.00 179.24 178.98 2jly n ILE 182 N -4.54 0.50 1.02 2.25 -5.35 -1.03 -3.06 119.36 109.15 2jly n ILE 182 Ca 0.16 0.02 0.11 0.00 -0.27 0.00 0.00 62.75 62.78 2jly n ILE 182 Cb 0.46 -0.74 0.05 0.00 -1.74 0.00 0.00 39.64 37.68 2jly n ILE 182 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 2jly n PHE 183 N -1.80 0.00 -2.03 4.28 3.72 -1.02 -4.57 117.46 116.04 2jly n PHE 183 Ca 0.05 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.03 2jly n PHE 183 Cb 0.31 -0.10 -0.03 0.00 -0.94 0.00 0.00 39.48 38.72 2jly n PHE 183 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2jly s ARG 184 N -2.92 4.27 0.50 -1.08 0.52 -1.17 -4.62 118.95 114.45 2jly s ARG 184 Ca 0.11 2.26 -0.23 0.00 -0.52 0.00 0.00 55.73 57.35 2jly s ARG 184 Cb 0.17 -3.15 -0.06 0.00 0.52 0.00 0.00 34.95 32.42 2jly s ARG 184 CO 0.76 -0.47 1.30 0.15 0.02 0.00 0.00 175.30 177.06 2jly s LYS 185 N 0.38 3.45 0.00 3.54 1.02 -1.26 -2.22 119.74 124.65 2jly s LYS 185 Ca 0.63 2.11 0.00 0.00 0.02 0.00 0.00 55.97 58.74 2jly s LYS 185 Cb -0.41 -2.39 0.00 0.00 -0.52 0.00 0.00 37.83 34.51 2jly s LYS 185 CO 0.37 -0.90 0.00 1.63 -0.92 0.00 0.00 175.35 175.53 2jly n LYS 186 N -0.67 0.00 -3.87 1.68 5.02 -1.11 -4.93 118.16 114.27 2jly n LYS 186 Ca 0.08 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.02 2jly n LYS 186 Cb 0.45 -2.65 -0.14 0.00 -0.02 0.00 0.00 35.03 32.68 2jly n LYS 186 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2jly s ARG 187 N -0.03 3.14 -0.25 1.97 6.06 -0.94 -4.85 118.95 124.05 2jly s ARG 187 Ca 0.00 -0.79 -0.07 0.00 -2.50 0.00 0.00 55.73 52.37 2jly s ARG 187 Cb 0.00 -3.13 -0.02 0.00 0.06 0.00 0.00 34.95 31.86 2jly s ARG 187 CO 0.00 -0.33 0.05 -1.17 -2.50 0.00 0.00 175.30 171.35 2jly s LEU 188 N 1.45 3.37 -0.21 -0.88 0.20 -1.26 -1.51 118.68 119.83 2jly s LEU 188 Ca 0.03 -0.30 -0.07 0.00 0.69 0.00 0.00 54.13 54.48 2jly s LEU 188 Cb -0.16 -1.88 -0.04 0.00 -0.43 0.00 0.00 46.19 43.69 2jly s LEU 188 CO -0.02 -0.05 0.07 -0.89 -0.29 0.00 0.00 176.35 175.17 2jly s THR 189 N 1.57 4.59 -0.43 3.68 2.01 0.17 -5.00 115.64 122.24 2jly s THR 189 Ca 0.06 -0.09 -0.15 0.00 0.31 0.00 0.00 61.69 61.81 2jly s THR 189 Cb -0.15 -3.10 0.03 0.00 0.01 0.00 0.00 72.50 69.29 2jly s THR 189 CO 0.02 0.40 0.34 -0.63 -0.69 0.00 0.00 174.62 174.06 2jly s ILE 190 N 0.96 5.23 -0.74 1.82 1.09 -1.26 -0.10 121.20 128.20 2jly s ILE 190 Ca 0.04 -0.70 -0.19 0.00 -1.10 0.00 0.00 60.65 58.70 2jly s ILE 190 Cb -0.14 -3.99 0.12 0.00 -1.06 0.00 0.00 42.46 37.39 2jly s ILE 190 CO 0.03 -0.39 0.89 -0.04 -0.10 0.00 0.00 174.94 175.33 2jly s MET 191 N 1.75 3.29 -1.03 2.79 -1.94 0.15 -4.94 119.30 119.37 2jly s MET 191 Ca 0.06 -1.50 -0.03 0.00 -1.71 0.00 0.00 55.69 52.51 2jly s MET 191 Cb -0.20 -4.48 0.31 0.00 2.01 0.00 0.00 34.83 32.47 2jly s MET 191 CO 0.10 -1.63 1.49 -3.47 -0.01 0.00 0.00 175.02 171.49 2jly n ASP 192 N 6.37 6.40 -4.56 3.03 2.03 -1.26 -1.70 116.55 126.86 2jly n ASP 192 Ca 0.05 -3.47 -0.32 0.00 0.52 0.00 0.00 54.79 51.57 2jly n ASP 192 Cb 0.46 -1.20 -0.11 0.00 -0.72 0.00 0.00 41.12 39.55 2jly n ASP 192 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2jly s LEU 193 N -3.07 3.02 0.84 -2.67 1.43 -1.23 -4.93 118.68 112.07 2jly s LEU 193 Ca 0.33 -0.23 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 2jly s LEU 193 Cb 0.08 -1.75 0.10 0.00 0.03 0.00 0.00 46.19 44.66 2jly s LEU 193 CO 0.06 0.27 1.14 -1.38 0.23 0.00 0.00 176.35 176.67 2jly s HIS 194 N -0.99 1.99 0.12 0.29 -3.43 -1.26 -3.60 115.29 108.41 2jly s HIS 194 Ca 0.17 1.69 -0.35 0.00 -0.80 0.00 0.00 55.06 55.77 2jly s HIS 194 Cb -0.11 -3.27 -0.15 0.00 -1.43 0.00 0.00 32.58 27.61 2jly s HIS 194 CO 0.07 -2.46 1.43 -2.30 -2.00 0.00 0.00 174.74 169.49 2jly n PRO 195 N -3.74 1.57 -0.86 -0.38 -0.02 -1.26 -1.78 135.00 128.53 2jly n PRO 195 Ca 0.11 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.16 2jly n PRO 195 Cb 0.52 -2.25 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 2jly n PRO 195 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jly n GLY 196 N 2.84 0.61 0.23 -1.23 0.00 -1.26 -4.39 105.19 101.98 2jly n GLY 196 Ca 0.17 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.31 2jly n GLY 196 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jly h ALA 197 N 0.00 1.00 0.00 4.61 0.00 -1.67 -3.47 119.26 119.73 2jly h ALA 197 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.75 2jly h ALA 197 Cb 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.76 2jly h ALA 197 CO 0.00 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.89 2jly n GLY 198 N 0.22 1.97 0.14 0.00 0.00 -1.26 -4.97 105.19 101.28 2jly n GLY 198 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 2jly n GLY 198 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2jly h LYS 199 N 0.00 -0.25 0.06 1.61 1.57 -1.91 0.42 116.57 118.07 2jly h LYS 199 Ca 0.00 0.02 -0.18 0.00 -1.87 0.00 0.00 60.65 58.62 2jly h LYS 199 Cb 0.00 0.06 0.02 0.00 0.08 0.00 0.00 32.23 32.38 2jly h LYS 199 CO 0.00 0.03 -0.73 1.15 -0.57 0.00 0.00 179.45 179.33 2jly h THR 200 N -0.51 1.44 -0.01 -0.16 2.02 -1.96 -1.44 112.91 112.29 2jly h THR 200 Ca -0.03 -2.27 0.00 0.00 0.77 0.00 0.00 66.41 64.89 2jly h THR 200 Cb 0.39 2.81 0.00 0.00 -1.74 0.00 0.00 68.15 69.61 2jly h THR 200 CO 0.04 0.66 -0.24 0.29 0.37 0.00 0.00 175.52 176.64 2jly n LYS 201 N -4.15 1.69 0.00 6.66 5.02 -1.26 -4.26 118.16 121.87 2jly n LYS 201 Ca -0.12 -0.84 0.00 0.00 -2.02 0.00 0.00 58.31 55.33 2jly n LYS 201 Cb 0.75 -1.21 0.00 0.00 -0.02 0.00 0.00 35.03 34.55 2jly n LYS 201 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2jly n ARG 202 N -0.00 0.00 0.02 1.97 0.63 -0.88 -4.79 116.66 113.61 2jly n ARG 202 Ca 0.06 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.87 2jly n ARG 202 Cb 0.30 -0.45 -0.09 0.00 0.45 0.00 0.00 32.46 32.67 2jly n ARG 202 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 2jly h ILE 203 N 0.00 1.19 -0.41 5.15 2.04 -0.26 -3.26 117.51 121.96 2jly h ILE 203 Ca 0.00 -1.16 0.08 0.00 1.00 0.00 0.00 64.86 64.78 2jly h ILE 203 Cb 0.72 1.92 -0.07 0.00 -0.74 0.00 0.00 36.82 38.65 2jly h ILE 203 CO 0.00 0.28 -0.04 0.25 0.00 0.00 0.00 178.15 178.63 2jly h LEU 204 N -0.65 -0.26 -1.05 1.44 5.85 -1.43 -1.73 115.31 117.48 2jly h LEU 204 Ca -0.01 0.11 0.11 0.00 0.84 0.00 0.00 57.88 58.93 2jly h LEU 204 Cb 0.53 0.21 -0.08 0.00 0.37 0.00 0.00 40.66 41.69 2jly h LEU 204 CO 0.02 -0.09 0.63 -0.65 -0.34 0.00 0.00 178.44 178.01 2jly h PRO 205 N 0.06 0.96 -0.22 5.25 0.11 -1.77 -0.64 132.00 135.74 2jly h PRO 205 Ca 0.20 -0.06 0.01 0.00 0.11 0.00 0.00 66.00 66.26 2jly h PRO 205 Cb 0.30 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.18 2jly h PRO 205 CO -0.38 0.64 0.14 0.77 -0.21 0.00 0.00 178.00 178.96 2jly h SER 206 N 0.99 0.23 -0.35 -2.05 0.02 -1.37 -0.54 113.55 110.48 2jly h SER 206 Ca 0.48 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 61.42 2jly h SER 206 Cb 0.45 -0.05 -0.02 0.00 0.14 0.00 0.00 62.40 62.92 2jly h SER 206 CO -0.24 0.17 0.21 0.40 -1.14 0.00 0.00 176.83 176.24 2jly h ILE 207 N 0.29 1.11 -0.38 3.27 2.04 -1.11 -1.87 117.51 120.85 2jly h ILE 207 Ca 0.08 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.65 2jly h ILE 207 Cb -0.02 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.70 2jly h ILE 207 CO -0.03 0.11 0.08 0.58 0.00 0.00 0.00 178.15 178.89 2jly h VAL 208 N 0.46 1.23 -0.65 1.67 2.07 -0.97 0.25 116.25 120.31 2jly h VAL 208 Ca 0.13 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.86 2jly h VAL 208 Cb -0.00 1.03 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 2jly h VAL 208 CO -0.02 0.28 0.41 0.03 0.02 0.00 0.00 177.57 178.28 2jly h ARG 209 N 0.47 0.79 0.00 1.57 3.08 -1.06 -1.12 114.38 118.10 2jly h ARG 209 Ca 0.12 -0.05 -0.11 0.00 0.07 0.00 0.00 59.98 60.01 2jly h ARG 209 Cb 0.33 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 2jly h ARG 209 CO 0.00 0.52 -0.54 1.49 -1.07 0.00 0.00 179.97 180.38 2jly h GLU 210 N 0.81 0.00 -0.44 0.04 4.57 -1.06 -2.50 114.58 116.01 2jly h GLU 210 Ca 0.26 0.00 -0.10 0.00 -1.18 0.00 0.00 59.36 58.34 2jly h GLU 210 Cb -0.01 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.57 2jly h GLU 210 CO -0.09 0.54 -0.11 0.00 -1.18 0.00 0.00 179.01 178.17 2jly h ALA 211 N 1.46 0.60 -0.63 2.92 0.00 -0.08 -2.01 119.26 121.53 2jly h ALA 211 Ca -0.01 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2jly h ALA 211 Cb 0.97 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2jly h ALA 211 CO 0.07 0.49 0.27 -0.07 0.00 0.00 0.00 179.25 180.01 2jly h LEU 212 N 0.67 0.85 -1.10 0.00 3.38 -1.11 -0.27 115.31 117.74 2jly h LEU 212 Ca 0.11 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.87 2jly h LEU 212 Cb 0.64 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2jly h LEU 212 CO 0.04 0.78 0.02 -0.07 0.09 0.00 0.00 178.44 179.30 2jly h LEU 213 N 0.88 0.62 0.00 1.67 3.38 -1.44 -2.00 115.31 118.41 2jly h LEU 213 Ca 0.21 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2jly h LEU 213 Cb 0.18 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2jly h LEU 213 CO -0.02 0.68 0.00 0.54 0.09 0.00 0.00 178.44 179.72 2jly n ARG 214 N -4.26 0.10 -2.15 1.13 1.74 -0.76 -4.92 116.66 107.54 2jly n ARG 214 Ca 0.02 0.02 -0.13 0.00 -0.77 0.00 0.00 57.85 56.99 2jly n ARG 214 Cb 0.26 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.19 2jly n ARG 214 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2jly n ARG 215 N -1.45 -1.03 -2.83 5.56 5.12 -0.25 -4.99 116.66 116.80 2jly n ARG 215 Ca 0.08 0.67 -0.41 0.00 -1.93 0.00 0.00 57.85 56.26 2jly n ARG 215 Cb 0.30 -4.87 -0.04 0.00 -1.16 0.00 0.00 32.46 26.69 2jly n ARG 215 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2jly s LEU 216 N -3.66 4.42 -0.25 0.55 1.43 -0.40 -5.00 118.68 115.76 2jly s LEU 216 Ca 0.00 1.58 -0.29 0.00 -1.03 0.00 0.00 54.13 54.39 2jly s LEU 216 Cb 0.00 -3.42 -0.03 0.00 0.03 0.00 0.00 46.19 42.77 2jly s LEU 216 CO 0.00 -0.12 1.75 -0.60 0.23 0.00 0.00 176.35 177.62 2jly s ARG 217 N 0.42 3.58 -0.04 1.70 6.06 -1.26 -4.72 118.95 124.68 2jly s ARG 217 Ca 0.45 1.64 0.06 0.00 -2.50 0.00 0.00 55.73 55.38 2jly s ARG 217 Cb -0.21 -4.13 -0.01 0.00 0.06 0.00 0.00 34.95 30.66 2jly s ARG 217 CO 0.26 -1.56 -0.23 0.99 -2.50 0.00 0.00 175.30 172.26 2jly s THR 218 N 6.07 1.85 -0.14 4.11 2.01 0.77 -1.26 115.64 129.06 2jly s THR 218 Ca 0.78 -0.97 0.02 0.00 0.31 0.00 0.00 61.69 61.83 2jly s THR 218 Cb -0.25 -1.57 0.01 0.00 0.01 0.00 0.00 72.50 70.70 2jly s THR 218 CO 0.32 0.52 -0.20 -0.22 -0.69 0.00 0.00 174.62 174.35 2jly s LEU 219 N -0.21 2.21 -0.15 4.42 2.96 -0.26 -0.43 118.68 127.22 2jly s LEU 219 Ca -0.01 -0.56 -0.03 0.00 -0.22 0.00 0.00 54.13 53.31 2jly s LEU 219 Cb -0.12 -1.48 -0.03 0.00 0.50 0.00 0.00 46.19 45.07 2jly s LEU 219 CO 0.02 0.09 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.46 2jly s ILE 220 N 0.78 3.78 -0.15 6.68 1.01 0.10 -0.46 121.20 132.94 2jly s ILE 220 Ca -0.07 -0.40 0.02 0.00 0.00 0.00 0.00 60.65 60.20 2jly s ILE 220 Cb -0.16 -2.65 0.01 0.00 0.01 0.00 0.00 42.46 39.68 2jly s ILE 220 CO -0.01 0.50 -0.21 -0.76 0.00 0.00 0.00 174.94 174.46 2jly s LEU 221 N 0.36 2.11 -0.08 2.97 1.43 0.00 -1.45 118.68 124.02 2jly s LEU 221 Ca -0.05 -0.61 -0.00 0.00 -1.03 0.00 0.00 54.13 52.43 2jly s LEU 221 Cb -0.14 -1.45 -0.03 0.00 0.03 0.00 0.00 46.19 44.60 2jly s LEU 221 CO 0.03 0.05 -0.05 0.00 0.23 0.00 0.00 176.35 176.61 2jly s ALA 222 N 0.97 3.03 0.24 4.21 0.00 -0.21 -1.53 121.76 128.48 2jly s ALA 222 Ca -0.03 -0.87 -0.01 0.00 0.00 0.00 0.00 51.96 51.05 2jly s ALA 222 Cb -0.15 -1.31 0.29 0.00 0.00 0.00 0.00 23.12 21.95 2jly s ALA 222 CO -0.05 0.53 1.67 -1.00 0.00 0.00 0.00 175.76 176.90 2jly h PRO 223 N 5.42 0.64 -4.74 0.00 0.13 -1.89 0.18 132.00 131.74 2jly h PRO 223 Ca -0.47 -0.25 -0.33 0.00 -0.87 0.00 0.00 66.00 64.08 2jly h PRO 223 Cb 1.18 -0.03 -0.14 0.00 0.13 0.00 0.00 31.00 32.13 2jly h PRO 223 CO 0.54 0.82 -0.58 0.95 -0.23 0.00 0.00 178.00 179.50 2jly s THR 224 N -4.54 0.13 0.06 1.56 -4.23 -1.26 -4.46 115.64 102.89 2jly s THR 224 Ca -0.08 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 58.68 2jly s THR 224 Cb 0.13 -2.52 0.26 0.00 1.34 0.00 0.00 72.50 71.71 2jly s THR 224 CO 0.81 0.00 1.80 0.03 -0.54 0.00 0.00 174.62 176.73 2jly h ARG 225 N 2.43 0.00 -0.04 3.99 3.08 -1.89 -2.47 114.38 119.47 2jly h ARG 225 Ca -0.34 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.71 2jly h ARG 225 Cb 1.25 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.29 2jly h ARG 225 CO 0.51 0.19 0.02 0.28 -1.07 0.00 0.00 179.97 179.90 2jly h VAL 226 N 0.00 1.11 -0.63 2.04 2.07 -1.94 -0.31 116.25 118.60 2jly h VAL 226 Ca -0.00 -0.34 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 2jly h VAL 226 Cb 0.78 1.27 -0.03 0.00 -1.52 0.00 0.00 31.29 31.80 2jly h VAL 226 CO 0.02 0.09 0.10 0.58 0.02 0.00 0.00 177.57 178.39 2jly h VAL 227 N -0.07 1.26 -0.72 2.57 2.07 -1.78 -2.48 116.25 117.10 2jly h VAL 227 Ca 0.01 -1.01 -0.00 0.00 0.82 0.00 0.00 66.70 66.53 2jly h VAL 227 Cb 0.14 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 2jly h VAL 227 CO -0.00 0.38 0.45 0.00 0.02 0.00 0.00 177.57 178.41 2jly h ALA 228 N 1.13 0.91 -0.46 1.67 0.00 -1.29 -1.39 119.26 119.83 2jly h ALA 228 Ca 0.19 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 2jly h ALA 228 Cb 0.42 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2jly h ALA 228 CO 0.01 0.37 -0.02 0.00 0.00 0.00 0.00 179.25 179.61 2jly h ALA 229 N 1.24 1.10 -0.72 0.00 0.00 -0.93 -2.24 119.26 117.71 2jly h ALA 229 Ca 0.26 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2jly h ALA 229 Cb -0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2jly h ALA 229 CO -0.05 0.57 0.20 0.93 0.00 0.00 0.00 179.25 180.89 2jly h GLU 230 N 0.72 1.13 -0.28 0.00 4.39 -1.10 -2.97 114.58 116.47 2jly h GLU 230 Ca 0.14 -0.26 -0.02 0.00 0.34 0.00 0.00 59.36 59.56 2jly h GLU 230 Cb 0.47 -0.16 -0.01 0.00 -0.10 0.00 0.00 28.75 28.95 2jly h GLU 230 CO 0.02 0.98 0.10 0.52 -1.16 0.00 0.00 179.01 179.48 2jly h MET 231 N 1.08 0.42 -0.92 2.33 2.86 -1.03 -3.13 114.93 116.54 2jly h MET 231 Ca 0.23 -0.08 0.05 0.00 -2.06 0.00 0.00 59.70 57.84 2jly h MET 231 Cb 0.34 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 31.87 2jly h MET 231 CO -0.00 0.46 0.59 1.49 1.06 0.00 0.00 176.91 180.51 2jly h GLU 232 N 0.30 1.06 -0.77 1.72 4.22 -1.36 0.15 114.58 119.90 2jly h GLU 232 Ca 0.09 -0.06 0.09 0.00 0.08 0.00 0.00 59.36 59.56 2jly h GLU 232 Cb 0.20 -0.24 -0.07 0.00 0.50 0.00 0.00 28.75 29.14 2jly h GLU 232 CO -0.01 0.70 0.42 0.93 -2.18 0.00 0.00 179.01 178.88 2jly h GLU 233 N 1.09 0.70 0.00 1.92 5.08 -1.49 0.14 114.58 122.02 2jly h GLU 233 Ca 0.39 -0.04 -0.16 0.00 -1.00 0.00 0.00 59.36 58.55 2jly h GLU 233 Cb 0.12 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 2jly h GLU 233 CO -0.16 0.46 -0.77 0.00 -1.00 0.00 0.00 179.01 177.55 2jly h ALA 234 N 1.43 0.52 -0.23 3.43 0.00 -1.25 -3.32 119.26 119.85 2jly h ALA 234 Ca 0.37 -0.70 0.00 0.00 0.00 0.00 0.00 54.91 54.58 2jly h ALA 234 Cb 0.34 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2jly h ALA 234 CO -0.24 0.96 0.00 1.28 0.00 0.00 0.00 179.25 181.25 2jly n LEU 235 N -3.32 3.16 -4.69 0.00 4.77 0.44 -4.86 117.00 112.50 2jly n LEU 235 Ca 0.01 -1.30 -0.44 0.00 -0.03 0.00 0.00 56.01 54.25 2jly n LEU 235 Cb 0.83 -0.14 -0.03 0.00 -2.33 0.00 0.00 43.42 41.76 2jly n LEU 235 CO 0.44 0.63 1.15 -1.14 -1.33 0.00 0.00 177.39 177.14 2jly n ARG 236 N 1.34 2.27 0.00 3.23 0.63 0.01 -1.66 116.66 122.48 2jly n ARG 236 Ca 0.16 0.81 0.00 0.00 -0.92 0.00 0.00 57.85 57.90 2jly n ARG 236 Cb 0.57 -2.55 0.00 0.00 0.45 0.00 0.00 32.46 30.93 2jly n ARG 236 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2jly n GLY 237 N 2.77 3.00 3.77 5.14 0.00 -1.26 -5.07 105.19 113.54 2jly n GLY 237 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.77 2jly n GLY 237 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2jly s LEU 238 N 0.00 4.32 -1.12 0.99 1.43 -0.67 -4.94 118.68 118.69 2jly s LEU 238 Ca 0.00 2.13 -0.22 0.00 -1.03 0.00 0.00 54.13 55.01 2jly s LEU 238 Cb 0.00 -3.94 -0.09 0.00 0.03 0.00 0.00 46.19 42.19 2jly s LEU 238 CO 0.00 -0.34 1.92 -0.81 0.23 0.00 0.00 176.35 177.36 2jly n PRO 239 N 0.48 1.68 -4.95 1.29 -0.04 -1.26 -4.91 135.00 127.29 2jly n PRO 239 Ca 0.02 -2.41 -0.32 0.00 -0.04 0.00 0.00 63.50 60.75 2jly n PRO 239 Cb 0.48 -3.58 -0.14 0.00 -0.04 0.00 0.00 33.50 30.21 2jly n PRO 239 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 2jly s ILE 240 N 9.61 2.82 -0.47 0.52 1.01 -1.26 -4.36 121.20 129.08 2jly s ILE 240 Ca 0.66 -0.79 -0.20 0.00 0.00 0.00 0.00 60.65 60.32 2jly s ILE 240 Cb 0.02 -2.11 0.03 0.00 0.01 0.00 0.00 42.46 40.41 2jly s ILE 240 CO 0.13 0.57 0.65 -0.60 0.00 0.00 0.00 174.94 175.69 2jly s ARG 241 N -0.28 3.23 -0.26 2.79 6.06 0.32 -4.94 118.95 125.87 2jly s ARG 241 Ca 0.01 -0.53 -0.23 0.00 -2.50 0.00 0.00 55.73 52.48 2jly s ARG 241 Cb -0.13 -4.00 -0.01 0.00 0.06 0.00 0.00 34.95 30.87 2jly s ARG 241 CO 0.03 -1.10 0.77 0.71 -2.50 0.00 0.00 175.30 173.21 2jly s TYR 242 N 2.82 3.29 -0.77 5.12 1.51 -1.26 -0.52 117.35 127.54 2jly s TYR 242 Ca 0.20 1.00 0.02 0.00 -1.01 0.00 0.00 57.07 57.29 2jly s TYR 242 Cb -0.16 -3.02 0.33 0.00 -0.11 0.00 0.00 41.96 39.01 2jly s TYR 242 CO 0.17 -0.41 1.32 1.04 -1.11 0.00 0.00 175.55 176.56 2jly n GLN 243 N 5.96 4.16 -3.67 -0.62 6.02 0.15 -4.96 117.38 124.42 2jly n GLN 243 Ca 0.04 -4.77 -0.11 0.00 -0.01 0.00 0.00 57.00 52.15 2jly n GLN 243 Cb 0.48 -2.34 -0.09 0.00 1.02 0.00 0.00 30.24 29.32 2jly n GLN 243 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.06 175.97 2jly s THR 244 N -4.44 -0.01 0.25 5.09 -1.32 -1.26 -4.52 115.64 109.43 2jly s THR 244 Ca 0.45 0.03 0.31 0.00 -1.21 0.00 0.00 61.69 61.27 2jly s THR 244 Cb 0.25 -0.79 0.31 0.00 -1.51 0.00 0.00 72.50 70.75 2jly s THR 244 CO -0.14 0.01 1.94 1.55 -2.21 0.00 0.00 174.62 175.77 2jly h PRO 245 N 6.37 0.00 0.00 7.08 0.13 -2.00 -2.68 132.00 140.90 2jly h PRO 245 Ca -0.31 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.78 2jly h PRO 245 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 2jly h PRO 245 CO 0.20 0.00 -0.17 0.00 -0.23 0.00 0.00 178.00 177.80 2jly h ALA 246 N 1.86 1.72 -3.66 -0.56 0.00 -1.96 -3.43 119.26 113.24 2jly h ALA 246 Ca 0.00 -0.15 -0.58 0.00 0.00 0.00 0.00 54.91 54.17 2jly h ALA 246 Cb 0.12 -0.03 -0.32 0.00 0.00 0.00 0.00 17.79 17.56 2jly h ALA 246 CO 0.00 0.21 -0.84 0.08 0.00 0.00 0.00 179.25 178.70 2jly s VAL 247 N -4.67 1.53 -0.17 0.00 1.01 -1.01 -4.88 120.40 112.21 2jly s VAL 247 Ca -0.04 -0.74 -0.00 0.00 0.00 0.00 0.00 61.98 61.19 2jly s VAL 247 Cb 0.16 -1.33 -0.00 0.00 0.00 0.00 0.00 36.38 35.20 2jly s VAL 247 CO 0.69 0.44 -0.14 -0.54 0.00 0.00 0.00 175.10 175.56 2jly s LYS 248 N 0.26 3.22 -0.02 2.72 3.01 -1.26 -4.71 119.74 122.95 2jly s LYS 248 Ca -0.10 -0.74 -0.22 0.00 -1.01 0.00 0.00 55.97 53.90 2jly s LYS 248 Cb -0.14 -2.69 0.05 0.00 -1.01 0.00 0.00 37.83 34.03 2jly s LYS 248 CO 0.04 -0.05 0.49 -1.54 0.51 0.00 0.00 175.35 174.80 2jly s SER 249 N 0.99 -0.41 0.18 2.83 1.04 -1.26 -5.14 113.70 111.93 2jly s SER 249 Ca -0.02 0.36 -0.31 0.00 0.48 0.00 0.00 55.95 56.46 2jly s SER 249 Cb -0.15 0.43 -0.10 0.00 0.10 0.00 0.00 66.02 66.30 2jly s SER 249 CO -0.03 -0.54 1.49 -1.81 0.98 0.00 0.00 173.24 173.33 2jly s ASP 250 N -1.34 6.66 -0.11 7.02 1.11 -1.26 -4.95 116.67 123.81 2jly s ASP 250 Ca -0.12 2.56 0.03 0.00 0.18 0.00 0.00 52.55 55.20 2jly s ASP 250 Cb -0.02 -2.60 0.01 0.00 1.07 0.00 0.00 42.92 41.37 2jly s ASP 250 CO 0.06 -0.75 -0.18 -1.38 1.18 0.00 0.00 175.17 174.10 2jly s HIS 251 N 0.80 2.19 0.32 4.23 -3.43 -1.26 -4.99 115.29 113.14 2jly s HIS 251 Ca 0.66 -0.98 0.13 0.00 -0.80 0.00 0.00 55.06 54.07 2jly s HIS 251 Cb -0.42 -1.52 0.61 0.00 -1.43 0.00 0.00 32.58 29.82 2jly s HIS 251 CO 0.34 -0.46 1.75 1.79 -2.00 0.00 0.00 174.74 176.17 2jly h THR 252 N 5.87 1.27 0.00 -5.38 1.35 -1.96 -3.47 112.91 110.59 2jly h THR 252 Ca -0.28 -1.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.00 2jly h THR 252 Cb 1.20 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 2jly h THR 252 CO 0.49 0.44 0.00 0.61 -0.25 0.00 0.00 175.52 176.82 2jly n GLY 253 N -0.15 0.35 1.40 5.82 0.00 -1.26 -4.92 105.19 106.43 2jly n GLY 253 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 2jly n GLY 253 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2jly n ARG 254 N -1.94 3.73 -2.09 1.61 0.00 -1.26 -4.99 116.66 111.72 2jly n ARG 254 Ca 0.00 -2.85 -0.42 0.00 -0.00 0.00 0.00 57.85 54.58 2jly n ARG 254 Cb 0.00 -1.90 -0.03 0.00 -0.00 0.00 0.00 32.46 30.53 2jly n ARG 254 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.63 176.42 2jly s GLU 255 N -2.17 4.30 0.00 2.89 8.01 -1.26 -4.92 118.70 125.55 2jly s GLU 255 Ca 0.47 2.19 0.24 0.00 0.01 0.00 0.00 54.97 57.89 2jly s GLU 255 Cb 0.33 -3.17 0.25 0.00 -4.31 0.00 0.00 34.13 27.22 2jly s GLU 255 CO 0.18 -0.42 1.27 0.44 0.01 0.00 0.00 175.26 176.75 2jly n ILE 256 N 3.13 0.00 -3.96 -1.63 -5.35 -1.26 -4.85 119.36 105.43 2jly n ILE 256 Ca 0.09 -0.37 -0.34 0.00 -0.27 0.00 0.00 62.75 61.85 2jly n ILE 256 Cb 0.41 1.25 -0.15 0.00 -1.74 0.00 0.00 39.64 39.42 2jly n ILE 256 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2jly s VAL 257 N -2.19 3.00 -0.08 7.28 1.01 -1.26 -0.16 120.40 128.00 2jly s VAL 257 Ca 0.26 -0.64 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 2jly s VAL 257 Cb 0.19 -2.35 -0.03 0.00 0.00 0.00 0.00 36.38 34.19 2jly s VAL 257 CO 0.41 0.44 -0.04 -1.81 0.00 0.00 0.00 175.10 174.10 2jly s ASP 258 N 1.42 4.89 -0.07 3.32 1.01 0.43 -0.52 116.67 127.15 2jly s ASP 258 Ca 0.05 0.03 0.04 0.00 0.71 0.00 0.00 52.55 53.39 2jly s ASP 258 Cb -0.14 -1.35 0.00 0.00 1.01 0.00 0.00 42.92 42.45 2jly s ASP 258 CO -0.06 0.35 -0.19 -0.22 0.21 0.00 0.00 175.17 175.26 2jly s LEU 259 N -0.73 1.92 0.32 1.23 0.20 0.33 0.02 118.68 121.97 2jly s LEU 259 Ca 0.11 -0.43 -0.17 0.00 0.69 0.00 0.00 54.13 54.33 2jly s LEU 259 Cb -0.11 -1.13 0.03 0.00 -0.43 0.00 0.00 46.19 44.54 2jly s LEU 259 CO 0.02 0.13 0.71 0.00 -0.29 0.00 0.00 176.35 176.92 2jly s MET 260 N 0.32 1.96 0.50 1.98 0.23 -0.53 0.35 119.30 124.10 2jly s MET 260 Ca -0.13 -1.24 -0.11 0.00 -1.03 0.00 0.00 55.69 53.19 2jly s MET 260 Cb -0.15 0.59 -0.06 0.00 -1.53 0.00 0.00 34.83 33.69 2jly s MET 260 CO 0.05 -0.89 0.88 0.00 -2.03 0.00 0.00 175.02 173.03 2jly h HIS 262 N 0.58 -0.37 0.00 0.00 3.86 -0.84 -1.86 115.15 116.52 2jly h HIS 262 Ca -0.46 0.04 -0.08 0.00 -1.16 0.00 0.00 60.37 58.71 2jly h HIS 262 Cb 1.19 0.23 -0.01 0.00 1.06 0.00 0.00 27.41 29.88 2jly h HIS 262 CO 0.62 -0.24 -0.38 0.00 0.86 0.00 0.00 177.93 178.79 2jly h ALA 263 N 1.32 1.13 -0.65 2.45 0.00 -1.85 -2.80 119.26 118.86 2jly h ALA 263 Ca 0.22 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2jly h ALA 263 Cb 0.39 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2jly h ALA 263 CO -0.49 0.47 0.12 1.15 0.00 0.00 0.00 179.25 180.50 2jly h THR 264 N 0.00 1.26 -0.16 0.00 2.02 -1.74 -1.55 112.91 112.74 2jly h THR 264 Ca -0.00 -1.01 -0.03 0.00 0.77 0.00 0.00 66.41 66.14 2jly h THR 264 Cb 0.80 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2jly h THR 264 CO 0.05 0.38 -0.03 0.15 0.37 0.00 0.00 175.52 176.44 2jly h PHE 265 N 0.98 0.34 -0.84 3.16 3.57 -1.21 -1.49 116.94 121.45 2jly h PHE 265 Ca 0.20 -0.07 0.02 0.00 3.53 0.00 0.00 57.97 61.65 2jly h PHE 265 Cb 0.42 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.03 2jly h PHE 265 CO 0.03 0.57 0.55 1.15 -2.23 0.00 0.00 178.31 178.38 2jly h THR 266 N 0.01 1.18 -0.31 4.41 2.02 -1.49 0.26 112.91 118.99 2jly h THR 266 Ca 0.04 -0.38 0.02 0.00 0.77 0.00 0.00 66.41 66.86 2jly h THR 266 Cb 0.45 -0.02 -0.03 0.00 -1.74 0.00 0.00 68.15 66.82 2jly h THR 266 CO 0.01 0.20 0.15 0.74 0.37 0.00 0.00 175.52 177.00 2jly h THR 267 N 1.11 0.99 -0.80 3.16 2.02 -1.20 -1.08 112.91 117.11 2jly h THR 267 Ca 0.32 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.38 2jly h THR 267 Cb -0.08 0.64 -0.04 0.00 -1.74 0.00 0.00 68.15 66.93 2jly h THR 267 CO -0.09 0.06 0.48 0.03 0.37 0.00 0.00 175.52 176.37 2jly h ARG 268 N 0.32 1.08 -0.19 6.66 2.47 -0.83 -0.78 114.38 123.12 2jly h ARG 268 Ca 0.13 -0.10 -0.06 0.00 -1.26 0.00 0.00 59.98 58.69 2jly h ARG 268 Cb 0.04 -0.23 -0.01 0.00 -1.65 0.00 0.00 29.97 28.12 2jly h ARG 268 CO -0.09 0.76 -0.16 -0.07 0.56 0.00 0.00 179.97 180.97 2jly h LEU 269 N 1.10 0.30 0.00 3.04 3.38 -0.58 -3.09 115.31 119.46 2jly h LEU 269 Ca 0.29 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.18 2jly h LEU 269 Cb -0.04 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.63 2jly h LEU 269 CO -0.05 0.48 -0.62 -0.07 0.09 0.00 0.00 178.44 178.27 2jly h LEU 270 N 0.29 0.00-10.62 1.67 3.38 -0.63 -3.42 115.31 105.97 2jly h LEU 270 Ca 0.05 -0.03 -0.46 0.00 0.09 0.00 0.00 57.88 57.54 2jly h LEU 270 Cb 0.46 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.30 2jly h LEU 270 CO 0.03 0.02 0.29 -0.94 0.09 0.00 0.00 178.44 177.92 2jly s SER 271 N -5.41 4.49 0.00 -0.43 1.04 -0.35 -4.97 113.70 108.07 2jly s SER 271 Ca 0.03 0.45 0.21 0.00 0.48 0.00 0.00 55.95 57.12 2jly s SER 271 Cb 0.09 -0.96 0.99 0.00 0.10 0.00 0.00 66.02 66.24 2jly s SER 271 CO 0.74 -1.83 1.68 -1.20 0.98 0.00 0.00 173.24 173.60 2jly n SER 272 N -3.11 0.00 -4.32 7.02 7.64 -1.26 -4.79 113.62 114.79 2jly n SER 272 Ca 0.09 0.22 -0.23 0.00 1.01 0.00 0.00 58.87 59.96 2jly n SER 272 Cb 0.60 -0.38 -0.10 0.00 -1.01 0.00 0.00 64.21 63.33 2jly n SER 272 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 2jly s THR 273 N -2.77 0.91 -0.20 0.44 -4.23 -1.26 -5.12 115.64 103.41 2jly s THR 273 Ca 0.16 -2.00 -0.00 0.00 -1.18 0.00 0.00 61.69 58.66 2jly s THR 273 Cb 0.14 -2.59 0.02 0.00 1.34 0.00 0.00 72.50 71.41 2jly s THR 273 CO 0.35 0.00 -0.15 -0.13 -0.54 0.00 0.00 174.62 174.15 2jly s ARG 274 N -3.83 3.01 0.40 3.99 1.81 -1.26 -4.75 118.95 118.31 2jly s ARG 274 Ca 0.31 -0.83 -0.26 0.00 -1.72 0.00 0.00 55.73 53.22 2jly s ARG 274 Cb 0.06 -2.72 -0.09 0.00 -0.45 0.00 0.00 34.95 31.75 2jly s ARG 274 CO 0.15 -0.25 1.33 0.14 -0.68 0.00 0.00 175.30 175.99 2jly s VAL 275 N 1.32 2.52 0.69 3.52 -7.23 -1.26 -4.98 120.40 114.98 2jly s VAL 275 Ca 0.04 0.47 -0.17 0.00 -1.81 0.00 0.00 61.98 60.52 2jly s VAL 275 Cb -0.14 -3.28 0.00 0.00 0.56 0.00 0.00 36.38 33.52 2jly s VAL 275 CO -0.10 0.08 1.08 -2.65 -0.31 0.00 0.00 175.10 173.20 2jly n PRO 276 N 0.17 0.70 -2.67 4.82 -0.02 -1.26 -4.89 135.00 131.85 2jly n PRO 276 Ca 0.03 0.30 -0.43 0.00 -2.02 0.00 0.00 63.50 61.38 2jly n PRO 276 Cb 0.43 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 2jly n PRO 276 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2jly n ASN 277 N -1.77 5.00 -4.74 2.55 2.85 -1.26 -4.98 115.26 112.92 2jly n ASN 277 Ca 0.14 -2.94 -0.42 0.00 -0.11 0.00 0.00 54.58 51.26 2jly n ASN 277 Cb 0.49 -1.69 -0.03 0.00 1.24 0.00 0.00 39.78 39.79 2jly n ASN 277 CO 0.00 0.00 0.00 -0.31 -2.11 0.00 0.00 177.26 174.84 2jly s TYR 278 N 3.33 3.11 -1.34 1.20 1.51 -1.26 -4.86 117.35 119.03 2jly s TYR 278 Ca 0.50 1.01 0.21 0.00 -1.01 0.00 0.00 57.07 57.78 2jly s TYR 278 Cb 0.02 -3.76 -0.14 0.00 -0.11 0.00 0.00 41.96 37.97 2jly s TYR 278 CO 0.05 -2.54 0.94 0.27 -1.11 0.00 0.00 175.55 173.16 2jly n ASN 279 N 2.82 1.35 -3.86 2.29 0.23 -0.39 -4.59 115.26 113.12 2jly n ASN 279 Ca 0.08 -1.18 -0.22 0.00 -0.53 0.00 0.00 54.58 52.74 2jly n ASN 279 Cb 0.41 0.80 -0.17 0.00 -2.08 0.00 0.00 39.78 38.74 2jly n ASN 279 CO 0.00 0.00 0.00 -0.22 -0.93 0.00 0.00 177.26 176.11 2jly s LEU 280 N -2.76 1.11 -0.13 -4.53 2.96 -1.01 -0.10 118.68 114.21 2jly s LEU 280 Ca 0.12 -0.14 0.00 0.00 -0.22 0.00 0.00 54.13 53.89 2jly s LEU 280 Cb 0.16 -0.51 0.02 0.00 0.50 0.00 0.00 46.19 46.37 2jly s LEU 280 CO 0.73 -0.10 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.90 2jly s ILE 281 N 1.31 1.42 -0.32 6.68 1.01 -0.22 -1.10 121.20 129.99 2jly s ILE 281 Ca -0.05 -0.55 -0.07 0.00 0.00 0.00 0.00 60.65 59.98 2jly s ILE 281 Cb -0.14 -1.35 0.02 0.00 0.01 0.00 0.00 42.46 41.00 2jly s ILE 281 CO -0.02 0.43 0.11 -0.69 0.00 0.00 0.00 174.94 174.77 2jly s VAL 282 N 1.46 4.06 -0.33 2.92 1.01 0.39 -0.45 120.40 129.47 2jly s VAL 282 Ca 0.03 -0.78 -0.10 0.00 0.00 0.00 0.00 61.98 61.13 2jly s VAL 282 Cb -0.13 -3.16 0.01 0.00 0.00 0.00 0.00 36.38 33.10 2jly s VAL 282 CO -0.09 -0.02 0.16 -0.32 0.00 0.00 0.00 175.10 174.84 2jly s MET 283 N 1.50 3.12 0.15 2.72 0.00 0.40 -0.81 119.30 126.37 2jly s MET 283 Ca 0.02 -0.87 -0.25 0.00 0.00 0.00 0.00 55.69 54.60 2jly s MET 283 Cb -0.18 -3.60 -0.08 0.00 0.00 0.00 0.00 34.83 30.97 2jly s MET 283 CO 0.03 -0.52 0.75 0.34 0.00 0.00 0.00 175.02 175.63 2jly s ASP 284 N 1.58 7.34 -0.82 1.11 2.15 -0.58 -0.94 116.67 126.51 2jly s ASP 284 Ca 0.03 1.59 -0.03 0.00 0.43 0.00 0.00 52.55 54.58 2jly s ASP 284 Cb -0.18 -2.48 -0.03 0.00 -0.30 0.00 0.00 42.92 39.93 2jly s ASP 284 CO 0.06 0.20 0.70 -0.62 -0.17 0.00 0.00 175.17 175.34 2jly n GLU 285 N 1.72 -3.06 0.00 4.34 -0.58 0.30 -4.26 120.64 119.10 2jly n GLU 285 Ca -0.06 0.63 0.00 0.00 -0.42 0.00 0.00 57.16 57.32 2jly n GLU 285 Cb 0.49 -4.82 0.00 0.00 -0.57 0.00 0.00 31.44 26.54 2jly n GLU 285 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jly n ALA 286 N -3.00 2.28 0.34 0.62 0.00 -0.82 -2.09 120.51 117.84 2jly n ALA 286 Ca -0.12 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.36 2jly n ALA 286 Cb 0.60 -1.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.00 2jly n ALA 286 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 2jly n HIS 287 N -0.05 0.00 -1.71 0.00 1.44 -1.26 -4.85 115.22 108.79 2jly n HIS 287 Ca 0.00 0.00 -0.59 0.00 -2.01 0.00 0.00 57.72 55.12 2jly n HIS 287 Cb 0.16 -0.05 -0.08 0.00 0.12 0.00 0.00 29.99 30.14 2jly n HIS 287 CO 0.00 0.00 0.00 0.34 -2.81 0.00 0.00 176.34 173.87 2jly n PHE 288 N -1.37 1.96 1.29 -1.40 -0.00 -0.89 -4.88 117.46 112.18 2jly n PHE 288 Ca 0.01 0.63 0.13 0.00 -0.00 0.00 0.00 57.45 58.22 2jly n PHE 288 Cb 0.17 -2.42 0.37 0.00 -0.00 0.00 0.00 39.48 37.61 2jly n PHE 288 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.76 177.01 2jly n THR 289 N 4.35 0.00 -1.57 -2.13 -2.24 -1.26 -4.06 114.28 107.36 2jly n THR 289 Ca 0.27 -0.22 -0.53 0.00 -2.27 0.00 0.00 64.05 61.30 2jly n THR 289 Cb 0.11 0.61 -0.06 0.00 -2.10 0.00 0.00 70.33 68.89 2jly n THR 289 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 2jly n ASP 290 N -0.12 1.31 0.02 3.42 2.03 -1.26 -4.78 116.55 117.18 2jly n ASP 290 Ca 0.15 1.13 0.21 0.00 0.52 0.00 0.00 54.79 56.79 2jly n ASP 290 Cb 0.38 -1.15 0.72 0.00 -0.72 0.00 0.00 41.12 40.36 2jly n ASP 290 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 2jly h PRO 291 N 4.14 0.00 -0.00 -0.67 0.13 -1.90 -0.00 132.00 133.69 2jly h PRO 291 Ca -0.48 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.48 2jly h PRO 291 Cb 1.35 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.46 2jly h PRO 291 CO 0.75 0.00 -0.82 0.00 -0.23 0.00 0.00 178.00 177.69 2jly h SER 293 N 0.05 0.87 -0.35 0.00 0.87 -1.29 -1.08 113.55 112.61 2jly h SER 293 Ca -0.02 -0.66 -0.03 0.00 -1.23 0.00 0.00 61.79 59.85 2jly h SER 293 Cb 1.44 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 63.12 2jly h SER 293 CO 0.11 1.40 0.12 0.58 -0.53 0.00 0.00 176.83 178.52 2jly h VAL 294 N 0.41 1.20 -0.81 2.23 2.07 -1.49 -1.78 116.25 118.08 2jly h VAL 294 Ca -0.07 -0.64 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 2jly h VAL 294 Cb 1.43 0.96 -0.04 0.00 -1.52 0.00 0.00 31.29 32.12 2jly h VAL 294 CO 0.16 0.22 0.35 0.00 0.02 0.00 0.00 177.57 178.32 2jly h ALA 295 N 0.97 1.05 -0.58 1.67 0.00 -1.49 -2.22 119.26 118.66 2jly h ALA 295 Ca 0.12 -0.18 0.02 0.00 0.00 0.00 0.00 54.91 54.87 2jly h ALA 295 Cb 0.23 -0.32 -0.04 0.00 0.00 0.00 0.00 17.79 17.66 2jly h ALA 295 CO -0.01 0.65 0.36 0.00 0.00 0.00 0.00 179.25 180.25 2jly h ALA 296 N 1.19 0.74 -0.34 0.00 0.00 -1.08 -2.13 119.26 117.64 2jly h ALA 296 Ca 0.27 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 2jly h ALA 296 Cb 0.17 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 2jly h ALA 296 CO -0.03 0.10 0.15 0.00 0.00 0.00 0.00 179.25 179.47 2jly h ARG 297 N 0.71 0.47 -0.55 0.00 3.08 -1.06 -0.65 114.38 116.38 2jly h ARG 297 Ca 0.23 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 2jly h ARG 297 Cb -0.01 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 2jly h ARG 297 CO -0.09 0.38 0.25 0.78 -1.07 0.00 0.00 179.97 180.22 2jly h GLY 298 N 0.60 0.85 0.69 0.04 0.00 -0.83 -1.13 103.07 103.28 2jly h GLY 298 Ca 0.12 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.01 2jly h GLY 298 CO -0.02 0.41 -0.03 -1.82 0.00 0.00 0.00 176.54 175.08 2jly h TYR 299 N 0.74 -0.08 -0.44 5.60 3.20 -0.82 -2.63 116.97 122.55 2jly h TYR 299 Ca 0.19 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.07 2jly h TYR 299 Cb 0.14 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.41 2jly h TYR 299 CO -0.00 0.24 0.27 0.82 -1.64 0.00 0.00 178.16 177.85 2jly h ILE 300 N -0.40 1.07 0.00 1.81 2.04 -1.13 -1.40 117.51 119.50 2jly h ILE 300 Ca -0.01 -0.19 -0.05 0.00 1.00 0.00 0.00 64.86 65.61 2jly h ILE 300 Cb 0.35 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.89 2jly h ILE 300 CO 0.01 0.10 -0.24 0.77 0.00 0.00 0.00 178.15 178.79 2jly h SER 301 N 0.55 0.00 0.50 1.72 4.64 -1.26 -1.91 113.55 117.79 2jly h SER 301 Ca 0.17 0.00 -0.23 0.00 -0.47 0.00 0.00 61.79 61.26 2jly h SER 301 Cb -0.01 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2jly h SER 301 CO -0.07 0.24 -1.00 0.71 -0.87 0.00 0.00 176.83 175.84 2jly h THR 302 N 0.00 1.46 -0.86 2.95 1.35 -1.07 -1.97 112.91 114.77 2jly h THR 302 Ca -0.00 -2.68 -0.00 0.00 -0.55 0.00 0.00 66.41 63.18 2jly h THR 302 Cb 0.56 2.58 -0.04 0.00 -1.73 0.00 0.00 68.15 69.52 2jly h THR 302 CO 0.03 0.79 0.53 0.03 -0.25 0.00 0.00 175.52 176.65 2jly h ARG 303 N 0.15 1.17 -0.09 4.72 2.47 -0.90 0.63 114.38 122.53 2jly h ARG 303 Ca -0.08 -0.10 -0.02 0.00 -1.26 0.00 0.00 59.98 58.53 2jly h ARG 303 Cb 1.66 -0.25 -0.00 0.00 -1.65 0.00 0.00 29.97 29.73 2jly h ARG 303 CO 0.16 0.81 -0.00 0.28 0.56 0.00 0.00 179.97 181.78 2jly h VAL 304 N 1.18 1.26 -0.84 2.04 2.07 -1.43 0.57 116.25 121.11 2jly h VAL 304 Ca 0.31 -0.82 0.07 0.00 0.82 0.00 0.00 66.70 67.08 2jly h VAL 304 Cb -0.07 1.63 -0.05 0.00 -1.52 0.00 0.00 31.29 31.28 2jly h VAL 304 CO -0.06 0.23 0.55 -0.08 0.02 0.00 0.00 177.57 178.23 2jly h GLU 305 N -0.13 0.88 0.00 1.57 4.81 -1.03 -1.07 114.58 119.61 2jly h GLU 305 Ca 0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2jly h GLU 305 Cb 0.36 -0.20 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2jly h GLU 305 CO 0.01 0.59 0.00 -1.33 -0.73 0.00 0.00 179.01 177.54 2jly n MET 306 N -4.49 0.05 -1.74 1.92 2.81 0.19 -4.89 117.12 110.97 2jly n MET 306 Ca 0.13 0.17 -0.00 0.00 -1.81 0.00 0.00 57.70 56.18 2jly n MET 306 Cb 0.22 -1.57 -0.00 0.00 -0.71 0.00 0.00 33.22 31.16 2jly n MET 306 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2jly n GLY 307 N 0.72 0.37 0.01 3.03 0.00 -0.41 -4.96 105.19 103.95 2jly n GLY 307 Ca 0.05 -0.94 0.10 0.00 0.00 0.00 0.00 46.02 45.23 2jly n GLY 307 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2jly n GLU 308 N -1.53 0.62 -3.70 1.61 -0.58 0.15 -4.68 120.64 112.54 2jly n GLU 308 Ca -0.00 -0.12 -0.11 0.00 -0.42 0.00 0.00 57.16 56.50 2jly n GLU 308 Cb 0.37 -1.45 -0.06 0.00 -0.57 0.00 0.00 31.44 29.73 2jly n GLU 308 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2jly s ALA 309 N -3.19 -0.83 0.01 0.62 0.00 -0.98 -4.42 121.76 112.97 2jly s ALA 309 Ca -0.02 0.04 -0.03 0.00 0.00 0.00 0.00 51.96 51.94 2jly s ALA 309 Cb 0.13 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 2jly s ALA 309 CO 0.81 -0.50 0.21 0.00 0.00 0.00 0.00 175.76 176.27 2jly s ALA 310 N -3.02 3.94 0.02 0.00 0.00 0.86 -2.73 121.76 120.84 2jly s ALA 310 Ca -0.02 -0.74 0.01 0.00 0.00 0.00 0.00 51.96 51.22 2jly s ALA 310 Cb 0.01 -1.91 -0.02 0.00 0.00 0.00 0.00 23.12 21.20 2jly s ALA 310 CO -0.06 0.74 -0.06 0.00 0.00 0.00 0.00 175.76 176.38 2jly s ALA 311 N -1.35 0.40 -0.13 0.00 0.00 -0.57 -1.05 121.76 119.06 2jly s ALA 311 Ca 0.29 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 51.74 2jly s ALA 311 Cb -0.13 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.03 2jly s ALA 311 CO 0.20 -0.01 -0.13 0.42 0.00 0.00 0.00 175.76 176.24 2jly s ILE 312 N -0.90 1.44 -0.33 0.00 1.01 0.41 -0.66 121.20 122.17 2jly s ILE 312 Ca -0.07 -0.57 -0.09 0.00 0.00 0.00 0.00 60.65 59.92 2jly s ILE 312 Cb -0.07 -1.35 0.01 0.00 0.01 0.00 0.00 42.46 41.06 2jly s ILE 312 CO -0.00 0.43 0.15 -0.36 0.00 0.00 0.00 174.94 175.17 2jly s PHE 313 N 1.32 3.19 -0.20 3.97 0.40 0.86 -0.45 117.98 127.08 2jly s PHE 313 Ca 0.00 -0.78 -0.05 0.00 -0.60 0.00 0.00 56.93 55.50 2jly s PHE 313 Cb -0.14 -2.36 -0.03 0.00 0.51 0.00 0.00 43.02 41.01 2jly s PHE 313 CO -0.07 -0.54 0.01 -1.64 0.70 0.00 0.00 175.22 173.69 2jly s MET 314 N 1.57 3.67 -0.28 0.44 -1.94 -0.11 0.32 119.30 122.97 2jly s MET 314 Ca 0.03 -0.49 -0.25 0.00 -1.71 0.00 0.00 55.69 53.27 2jly s MET 314 Cb -0.18 -3.11 0.14 0.00 2.01 0.00 0.00 34.83 33.69 2jly s MET 314 CO 0.06 0.05 1.11 -0.08 -0.01 0.00 0.00 175.02 176.15 2jly s THR 315 N 0.92 0.00 -0.21 2.05 -1.32 -0.69 0.11 115.64 116.50 2jly s THR 315 Ca 0.02 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 60.71 2jly s THR 315 Cb -0.14 -1.00 0.25 0.00 -1.51 0.00 0.00 72.50 70.09 2jly s THR 315 CO 0.02 0.00 1.63 0.00 -2.21 0.00 0.00 174.62 174.06 2jly h ALA 316 N 3.86 0.90 -2.30 11.08 0.00 -1.81 -3.27 119.26 127.72 2jly h ALA 316 Ca -0.27 -0.17 -0.60 0.00 0.00 0.00 0.00 54.91 53.87 2jly h ALA 316 Cb 1.18 -0.03 -0.42 0.00 0.00 0.00 0.00 17.79 18.52 2jly h ALA 316 CO 0.14 0.23 -0.63 0.25 0.00 0.00 0.00 179.25 179.24 2jly n THR 317 N -3.18 1.98 -1.49 0.00 -2.24 -1.26 -4.81 114.28 103.28 2jly n THR 317 Ca 0.02 -5.06 -0.33 0.00 -2.27 0.00 0.00 64.05 56.41 2jly n THR 317 Cb 0.55 -2.09 0.08 0.00 -2.10 0.00 0.00 70.33 66.77 2jly n THR 317 CO 0.00 0.00 0.00 -2.16 -0.57 0.00 0.00 175.07 172.34 2jly s PRO 318 N -2.21 2.33 0.15 -0.78 0.04 -1.26 -4.65 135.00 128.61 2jly s PRO 318 Ca 0.37 1.54 -0.33 0.00 0.04 0.00 0.00 61.00 62.63 2jly s PRO 318 Cb 0.12 -1.88 -0.17 0.00 0.04 0.00 0.00 34.50 32.62 2jly s PRO 318 CO -0.04 -1.65 1.01 -2.30 0.04 0.00 0.00 177.00 174.06 2jly n PRO 319 N -2.78 0.71 -0.15 0.56 -0.02 -1.26 -1.89 135.00 130.17 2jly n PRO 319 Ca 0.12 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.85 2jly n PRO 319 Cb 0.51 -1.65 0.00 0.00 -0.02 0.00 0.00 33.50 32.34 2jly n PRO 319 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2jly n GLY 320 N 1.88 0.68 3.70 -1.23 0.00 -1.26 -5.07 105.19 103.88 2jly n GLY 320 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2jly n GLY 320 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2jly s SER 321 N -2.70 6.92 0.00 1.61 0.01 -0.79 -4.91 113.70 113.84 2jly s SER 321 Ca 0.00 2.10 0.00 0.00 1.31 0.00 0.00 55.95 59.36 2jly s SER 321 Cb 0.00 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.66 2jly s SER 321 CO 0.00 -0.64 0.18 0.35 0.41 0.00 0.00 173.24 173.55 2jly n THR 322 N 4.36 0.00 -3.18 1.44 -2.24 -1.26 -4.32 114.28 109.07 2jly n THR 322 Ca 0.12 -0.46 -0.43 0.00 -2.27 0.00 0.00 64.05 61.00 2jly n THR 322 Cb 0.44 1.03 -0.07 0.00 -2.10 0.00 0.00 70.33 69.64 2jly n THR 322 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2jly s ASP 323 N -0.56 6.24 0.04 3.42 2.15 -1.26 -4.89 116.67 121.82 2jly s ASP 323 Ca 0.00 -0.71 0.22 0.00 0.43 0.00 0.00 52.55 52.50 2jly s ASP 323 Cb 0.00 -2.28 0.93 0.00 -0.30 0.00 0.00 42.92 41.27 2jly s ASP 323 CO 0.00 -0.79 1.71 -2.65 -0.17 0.00 0.00 175.17 173.27 2jly n PRO 324 N 6.07 0.04 -3.09 4.34 -0.02 -1.26 -4.16 135.00 136.92 2jly n PRO 324 Ca -0.05 0.16 -0.25 0.00 -2.02 0.00 0.00 63.50 61.33 2jly n PRO 324 Cb 0.46 -1.56 -0.05 0.00 -0.02 0.00 0.00 33.50 32.34 2jly n PRO 324 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 2jly n PHE 325 N -1.63 2.88 -1.11 6.00 3.72 -1.26 -3.71 117.46 122.34 2jly n PHE 325 Ca 0.05 -3.96 -0.27 0.00 -0.05 0.00 0.00 57.45 53.22 2jly n PHE 325 Cb 0.27 -0.48 0.23 0.00 -0.94 0.00 0.00 39.48 38.56 2jly n PHE 325 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 2jly n PRO 326 N 0.15 -2.76 -1.85 -1.08 -0.04 -1.26 -4.98 135.00 123.17 2jly n PRO 326 Ca 0.29 -1.65 -0.37 0.00 -0.04 0.00 0.00 63.50 61.73 2jly n PRO 326 Cb 0.46 -1.48 0.04 0.00 -0.04 0.00 0.00 33.50 32.49 2jly n PRO 326 CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 2jly s GLN 327 N -5.34 3.02 0.18 0.54 0.74 -1.26 -5.02 119.66 112.53 2jly s GLN 327 Ca 0.66 2.09 0.01 0.00 0.05 0.00 0.00 55.36 58.16 2jly s GLN 327 Cb -0.06 -2.12 -0.04 0.00 1.10 0.00 0.00 33.01 31.89 2jly s GLN 327 CO 0.50 -1.23 0.05 -1.54 -0.55 0.00 0.00 175.29 172.51 2jly s SER 328 N -1.20 0.84 0.26 6.67 1.04 -1.26 -4.10 113.70 115.95 2jly s SER 328 Ca 0.75 -1.25 0.03 0.00 0.48 0.00 0.00 55.95 55.96 2jly s SER 328 Cb -0.37 0.21 0.34 0.00 0.10 0.00 0.00 66.02 66.30 2jly s SER 328 CO 0.42 -0.68 1.64 0.78 0.98 0.00 0.00 173.24 176.39 2jly h ASN 329 N 2.67 0.39 -3.90 7.02 2.35 -1.50 -3.44 115.58 119.17 2jly h ASN 329 Ca -0.36 -0.17 -0.48 0.00 -0.55 0.00 0.00 56.30 54.73 2jly h ASN 329 Cb 1.22 -0.11 -0.19 0.00 0.05 0.00 0.00 38.32 39.29 2jly h ASN 329 CO 0.60 0.77 -0.78 -0.44 -1.65 0.00 0.00 177.43 175.93 2jly s SER 330 N -6.87 2.35 0.31 5.81 0.01 -0.02 -4.55 113.70 110.74 2jly s SER 330 Ca -0.06 -0.80 -0.29 0.00 1.31 0.00 0.00 55.95 56.11 2jly s SER 330 Cb 0.13 -0.12 -0.12 0.00 0.21 0.00 0.00 66.02 66.12 2jly s SER 330 CO 0.79 -0.06 1.46 -2.65 0.41 0.00 0.00 173.24 173.20 2jly n PRO 331 N 0.58 2.42 -4.59 12.44 -0.02 -1.26 -4.73 135.00 139.84 2jly n PRO 331 Ca -0.16 0.85 -0.33 0.00 -2.02 0.00 0.00 63.50 61.85 2jly n PRO 331 Cb 0.56 -2.55 -0.14 0.00 -0.02 0.00 0.00 33.50 31.35 2jly n PRO 331 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2jly s ILE 332 N -0.51 3.09 -0.61 4.25 1.01 -1.26 -4.15 121.20 123.03 2jly s ILE 332 Ca 0.61 -0.63 -0.25 0.00 0.00 0.00 0.00 60.65 60.37 2jly s ILE 332 Cb -0.54 -2.32 0.04 0.00 0.01 0.00 0.00 42.46 39.65 2jly s ILE 332 CO 0.55 0.51 1.05 -0.70 0.00 0.00 0.00 174.94 176.35 2jly s GLU 333 N 0.57 3.31 -0.26 2.79 2.12 -0.39 -4.94 118.70 121.90 2jly s GLU 333 Ca -0.07 -0.25 -0.24 0.00 0.36 0.00 0.00 54.97 54.76 2jly s GLU 333 Cb -0.15 -4.10 -0.00 0.00 0.26 0.00 0.00 34.13 30.13 2jly s GLU 333 CO 0.03 -1.69 0.81 -0.51 -0.54 0.00 0.00 175.26 173.36 2jly s ASP 334 N 3.16 6.78 -0.11 -1.70 1.01 -1.26 -0.88 116.67 123.68 2jly s ASP 334 Ca 0.32 0.94 0.02 0.00 0.71 0.00 0.00 52.55 54.54 2jly s ASP 334 Cb -0.11 -2.42 0.02 0.00 1.01 0.00 0.00 42.92 41.41 2jly s ASP 334 CO 0.18 -0.53 -0.15 -0.63 0.21 0.00 0.00 175.17 174.26 2jly s ILE 335 N 2.86 1.44 -0.27 0.77 1.01 0.13 -4.97 121.20 122.17 2jly s ILE 335 Ca 0.34 -0.61 -0.13 0.00 0.00 0.00 0.00 60.65 60.25 2jly s ILE 335 Cb -0.15 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 40.95 2jly s ILE 335 CO 0.09 0.43 0.28 -0.70 0.00 0.00 0.00 174.94 175.03 2jly s GLU 336 N 1.01 3.99 0.07 2.79 2.12 -1.26 -0.77 118.70 126.66 2jly s GLU 336 Ca -0.06 -0.14 -0.03 0.00 0.36 0.00 0.00 54.97 55.10 2jly s GLU 336 Cb -0.15 -3.65 -0.03 0.00 0.26 0.00 0.00 34.13 30.56 2jly s GLU 336 CO -0.02 -0.22 0.04 1.03 -0.54 0.00 0.00 175.26 175.55 2jly s ARG 337 N 1.89 0.73 0.29 4.30 0.52 -0.67 -4.97 118.95 121.04 2jly s ARG 337 Ca 0.11 -1.20 -0.29 0.00 -0.52 0.00 0.00 55.73 53.83 2jly s ARG 337 Cb -0.16 0.25 -0.10 0.00 0.52 0.00 0.00 34.95 35.46 2jly s ARG 337 CO 0.10 -0.18 1.30 -2.00 0.02 0.00 0.00 175.30 174.55 2jly s GLU 338 N -3.93 4.38 -0.10 3.54 2.12 -1.26 -4.13 118.70 119.32 2jly s GLU 338 Ca 0.10 2.15 0.03 0.00 0.36 0.00 0.00 54.97 57.60 2jly s GLU 338 Cb 0.07 -3.11 0.01 0.00 0.26 0.00 0.00 34.13 31.36 2jly s GLU 338 CO -0.08 -0.18 -0.18 0.42 -0.54 0.00 0.00 175.26 174.69 2jly s ILE 339 N -0.77 1.69 0.28 -3.70 1.01 -1.26 -5.06 121.20 113.39 2jly s ILE 339 Ca 0.51 -0.78 -0.29 0.00 0.00 0.00 0.00 60.65 60.09 2jly s ILE 339 Cb -0.38 -1.51 -0.10 0.00 0.01 0.00 0.00 42.46 40.48 2jly s ILE 339 CO 0.48 0.48 1.36 -2.16 0.00 0.00 0.00 174.94 175.09 2jly s PRO 340 N 0.71 4.32 0.08 2.79 0.04 -1.26 -4.91 135.00 136.77 2jly s PRO 340 Ca -0.12 2.23 0.18 0.00 0.04 0.00 0.00 61.00 63.33 2jly s PRO 340 Cb -0.16 -3.10 -0.12 0.00 0.04 0.00 0.00 34.50 31.16 2jly s PRO 340 CO 0.02 -0.29 0.84 0.39 0.04 0.00 0.00 177.00 178.00 2jly n GLU 341 N 1.61 0.62 -4.44 4.56 1.02 -1.26 -4.97 120.64 117.77 2jly n GLU 341 Ca 0.03 0.20 -0.28 0.00 -0.02 0.00 0.00 57.16 57.09 2jly n GLU 341 Cb 0.41 -1.80 -0.07 0.00 -0.02 0.00 0.00 31.44 29.97 2jly n GLU 341 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 2jly n ARG 342 N -2.84 0.73 -1.04 3.49 5.12 -1.26 -4.91 116.66 115.94 2jly n ARG 342 Ca -0.09 -3.43 -0.34 0.00 -1.93 0.00 0.00 57.85 52.06 2jly n ARG 342 Cb 0.80 1.29 0.11 0.00 -1.16 0.00 0.00 32.46 33.50 2jly n ARG 342 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 2jly n SER 343 N -1.40 -0.52 -3.77 0.55 7.64 -1.26 -4.90 113.62 109.96 2jly n SER 343 Ca -0.14 0.51 -0.13 0.00 1.01 0.00 0.00 58.87 60.11 2jly n SER 343 Cb 0.60 -1.34 -0.14 0.00 -1.01 0.00 0.00 64.21 62.32 2jly n SER 343 CO 0.00 0.00 0.00 -1.66 -3.01 0.00 0.00 175.04 170.37 2jly s TRP 344 N -2.16 -0.14 0.11 1.43 -2.14 -1.26 -5.03 118.94 109.75 2jly s TRP 344 Ca 0.66 0.41 -0.10 0.00 2.66 0.00 0.00 56.10 59.73 2jly s TRP 344 Cb -0.28 -0.07 -0.15 0.00 -3.10 0.00 0.00 33.47 29.87 2jly s TRP 344 CO 0.58 -0.13 1.28 -0.91 -2.66 0.00 0.00 176.95 175.10 2jly h ASN 345 N 6.94 0.81 -5.00 -2.66 4.21 -2.01 -3.49 115.58 114.37 2jly h ASN 345 Ca -0.39 -0.59 0.02 0.00 1.21 0.00 0.00 56.30 56.55 2jly h ASN 345 Cb 1.15 -0.24 -0.09 0.00 -1.12 0.00 0.00 38.32 38.02 2jly h ASN 345 CO 0.43 1.39 0.21 0.28 -1.29 0.00 0.00 177.43 178.45 2jly s THR 346 N -3.50 0.00 0.00 2.81 -1.32 -1.26 -4.99 115.64 107.39 2jly s THR 346 Ca -0.09 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 59.91 2jly s THR 346 Cb 0.08 -1.48 0.00 0.00 -1.51 0.00 0.00 72.50 69.59 2jly s THR 346 CO 0.90 -0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.91 2jly n GLY 347 N -0.42 0.78 2.55 6.08 0.00 -1.26 -4.95 105.19 107.97 2jly n GLY 347 Ca -0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.73 2jly n GLY 347 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2jly n PHE 348 N -2.00 2.37 0.22 1.61 3.72 -1.26 -4.89 117.46 117.24 2jly n PHE 348 Ca 0.00 -2.91 0.06 0.00 -0.05 0.00 0.00 57.45 54.55 2jly n PHE 348 Cb 0.00 -0.22 0.52 0.00 -0.94 0.00 0.00 39.48 38.84 2jly n PHE 348 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2jly h ASP 349 N 2.74 0.00 -0.11 4.37 5.19 -2.00 -2.75 116.42 123.86 2jly h ASP 349 Ca 0.12 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.56 2jly h ASP 349 Cb 1.07 0.00 -0.00 0.00 0.18 0.00 0.00 39.33 40.57 2jly h ASP 349 CO 0.68 0.20 0.13 4.11 -3.12 0.00 0.00 179.24 181.24 2jly h TRP 350 N 0.00 0.00 -0.16 4.55 5.08 -1.98 -0.21 115.95 123.23 2jly h TRP 350 Ca -0.00 0.00 -0.06 0.00 1.08 0.00 0.00 58.89 59.91 2jly h TRP 350 Cb 0.38 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.54 2jly h TRP 350 CO 0.00 0.00 -0.13 0.82 -1.28 0.00 0.00 178.44 177.85 2jly h ILE 351 N 0.00 1.33 0.00 0.12 2.04 -1.91 -3.28 117.51 115.81 2jly h ILE 351 Ca 0.05 -1.26 0.00 0.00 1.00 0.00 0.00 64.86 64.65 2jly h ILE 351 Cb 0.31 1.81 0.00 0.00 -0.74 0.00 0.00 36.82 38.20 2jly h ILE 351 CO -0.00 0.37 -1.08 0.35 0.00 0.00 0.00 178.15 177.79 2jly n THR 352 N -4.56 0.12 0.16 -0.27 -2.24 -0.89 -4.04 114.28 102.56 2jly n THR 352 Ca -0.06 -0.22 0.05 0.00 -2.27 0.00 0.00 64.05 61.55 2jly n THR 352 Cb 0.35 0.31 0.06 0.00 -2.10 0.00 0.00 70.33 68.95 2jly n THR 352 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2jly h ASP 353 N 0.00 0.00 -3.38 3.42 3.45 -1.18 -3.46 116.42 115.27 2jly h ASP 353 Ca 0.00 0.00 -0.56 0.00 0.43 0.00 0.00 57.03 56.90 2jly h ASP 353 Cb 0.71 0.00 0.10 0.00 -0.56 0.00 0.00 39.33 39.58 2jly h ASP 353 CO 0.00 0.36 0.66 0.00 -1.57 0.00 0.00 179.24 178.69 2jly n TYR 354 N -3.19 2.56 -0.04 4.55 9.36 -1.24 -4.96 117.16 124.21 2jly n TYR 354 Ca 0.02 0.46 -0.03 0.00 3.32 0.00 0.00 57.90 61.67 2jly n TYR 354 Cb 0.68 -2.49 -0.14 0.00 -0.63 0.00 0.00 39.34 36.77 2jly n TYR 354 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 2jly n GLN 355 N 1.00 0.66 0.00 2.98 1.13 -1.26 -4.99 117.38 116.90 2jly n GLN 355 Ca 0.05 0.07 0.00 0.00 -1.94 0.00 0.00 57.00 55.18 2jly n GLN 355 Cb 0.36 -1.64 0.00 0.00 0.11 0.00 0.00 30.24 29.07 2jly n GLN 355 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2jly n GLY 356 N 1.54 -0.70 3.74 1.08 0.00 -1.26 -5.05 105.19 104.53 2jly n GLY 356 Ca -0.19 -1.58 -0.35 0.00 0.00 0.00 0.00 46.02 43.90 2jly n GLY 356 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jly s LYS 357 N 0.00 3.72 -0.05 1.61 1.02 -1.26 -4.90 119.74 119.88 2jly s LYS 357 Ca 0.00 -0.26 0.05 0.00 0.02 0.00 0.00 55.97 55.78 2jly s LYS 357 Cb 0.00 -3.19 -0.02 0.00 -0.52 0.00 0.00 37.83 34.10 2jly s LYS 357 CO 0.00 0.50 -0.20 0.99 -0.92 0.00 0.00 175.35 175.72 2jly s THR 358 N -0.25 2.54 -0.23 2.17 2.01 -0.00 -1.16 115.64 120.72 2jly s THR 358 Ca 0.09 -0.91 -0.05 0.00 0.31 0.00 0.00 61.69 61.14 2jly s THR 358 Cb -0.12 -1.96 -0.02 0.00 0.01 0.00 0.00 72.50 70.42 2jly s THR 358 CO 0.01 0.58 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.82 2jly s VAL 359 N -0.43 3.72 -0.21 3.82 1.01 0.45 -0.40 120.40 128.36 2jly s VAL 359 Ca 0.05 -0.37 -0.02 0.00 0.00 0.00 0.00 61.98 61.63 2jly s VAL 359 Cb -0.12 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.56 2jly s VAL 359 CO 0.01 0.39 -0.11 0.86 0.00 0.00 0.00 175.10 176.26 2jly s TRP 360 N 1.50 2.89 -0.24 5.22 -0.11 0.76 -0.77 118.94 128.20 2jly s TRP 360 Ca 0.06 -1.26 -0.19 0.00 1.22 0.00 0.00 56.10 55.92 2jly s TRP 360 Cb -0.15 -2.03 -0.02 0.00 -1.50 0.00 0.00 33.47 29.77 2jly s TRP 360 CO -0.01 -0.66 0.58 -0.06 -4.62 0.00 0.00 176.95 172.18 2jly s PHE 361 N 1.39 3.31 0.06 5.86 0.40 -0.76 -0.57 117.98 127.67 2jly s PHE 361 Ca 0.05 0.78 0.05 0.00 -0.60 0.00 0.00 56.93 57.21 2jly s PHE 361 Cb -0.14 -2.77 -0.04 0.00 0.51 0.00 0.00 43.02 40.59 2jly s PHE 361 CO -0.07 -0.25 -0.07 0.14 0.70 0.00 0.00 175.22 175.68 2jly s VAL 362 N 2.18 3.61 -0.14 -0.44 -7.23 0.29 -4.42 120.40 114.25 2jly s VAL 362 Ca 0.25 -0.99 0.26 0.00 -1.81 0.00 0.00 61.98 59.69 2jly s VAL 362 Cb -0.16 -2.64 0.32 0.00 0.56 0.00 0.00 36.38 34.46 2jly s VAL 362 CO 0.09 0.24 1.76 1.55 -0.31 0.00 0.00 175.10 178.43 2jly h PRO 363 N 3.99 0.00 -3.96 4.82 0.13 -1.88 -3.39 132.00 131.71 2jly h PRO 363 Ca -0.48 0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.54 2jly h PRO 363 Cb 1.17 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.16 2jly h PRO 363 CO 0.54 0.08 -0.40 -1.54 -0.23 0.00 0.00 178.00 176.45 2jly s SER 364 N -6.05 0.13 0.23 1.44 1.04 -1.26 -4.81 113.70 104.41 2jly s SER 364 Ca 0.04 -0.86 0.02 0.00 0.48 0.00 0.00 55.95 55.63 2jly s SER 364 Cb 0.07 0.37 0.22 0.00 0.10 0.00 0.00 66.02 66.79 2jly s SER 364 CO 0.63 -0.80 1.55 0.40 0.98 0.00 0.00 173.24 176.00 2jly h ILE 365 N 2.69 1.35 0.28 -1.02 2.04 -1.97 -1.29 117.51 119.59 2jly h ILE 365 Ca -0.33 -1.87 -0.00 0.00 1.00 0.00 0.00 64.86 63.66 2jly h ILE 365 Cb 1.21 1.89 -0.02 0.00 -0.74 0.00 0.00 36.82 39.16 2jly h ILE 365 CO 0.53 0.56 -0.26 0.50 0.00 0.00 0.00 178.15 179.48 2jly h LYS 366 N 0.27 -0.54 -0.78 2.37 3.64 -1.99 0.17 116.57 119.70 2jly h LYS 366 Ca 0.00 0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 59.40 2jly h LYS 366 Cb 1.07 0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.98 2jly h LYS 366 CO 0.09 -0.36 0.40 0.00 -2.27 0.00 0.00 179.45 177.32 2jly h ALA 367 N 0.06 1.25 -0.76 5.00 0.00 -1.92 -2.56 119.26 120.34 2jly h ALA 367 Ca -0.01 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2jly h ALA 367 Cb 0.51 -0.31 -0.04 0.00 0.00 0.00 0.00 17.79 17.96 2jly h ALA 367 CO -0.04 0.59 0.43 0.78 0.00 0.00 0.00 179.25 181.01 2jly h GLY 368 N 1.13 1.12 0.95 0.00 0.00 -0.90 -2.12 103.07 103.24 2jly h GLY 368 Ca 0.27 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 47.11 2jly h GLY 368 CO -0.04 0.47 -0.07 3.43 0.00 0.00 0.00 176.54 180.33 2jly h ASN 369 N 1.05 -0.16 1.38 0.19 2.35 -0.26 -0.92 115.58 119.22 2jly h ASN 369 Ca 0.27 -0.04 0.00 0.00 -0.55 0.00 0.00 56.30 55.98 2jly h ASN 369 Cb 0.01 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.42 2jly h ASN 369 CO -0.05 -0.06 0.00 -0.90 -1.65 0.00 0.00 177.43 174.77 2jly n ASP 370 N -5.15 0.76 0.12 5.81 5.75 -1.12 -1.81 116.55 120.91 2jly n ASP 370 Ca -0.08 0.58 -0.24 0.00 -0.01 0.00 0.00 54.79 55.04 2jly n ASP 370 Cb 0.12 -0.78 -0.15 0.00 -1.03 0.00 0.00 41.12 39.28 2jly n ASP 370 CO 0.00 0.00 0.00 0.40 -0.11 0.00 0.00 177.20 177.49 2jly h ILE 371 N 0.00 1.17 -0.43 2.12 2.04 -1.37 -3.23 117.51 117.81 2jly h ILE 371 Ca 0.00 -2.66 -0.13 0.00 1.00 0.00 0.00 64.86 63.07 2jly h ILE 371 Cb 0.69 2.94 -0.01 0.00 -0.74 0.00 0.00 36.82 39.70 2jly h ILE 371 CO 0.00 0.83 -0.26 0.00 0.00 0.00 0.00 178.15 178.72 2jly h ALA 372 N 0.17 0.61 0.00 1.87 0.00 -0.99 -2.22 119.26 118.70 2jly h ALA 372 Ca -0.28 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.19 2jly h ALA 372 Cb 2.14 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 19.78 2jly h ALA 372 CO 0.24 0.62 -0.15 -2.95 0.00 0.00 0.00 179.25 177.01 2jly h ASN 373 N 0.76 0.00 -0.08 0.00 -1.07 -1.54 -2.00 115.58 111.65 2jly h ASN 373 Ca 0.09 0.00 -0.15 0.00 0.07 0.00 0.00 56.30 56.31 2jly h ASN 373 Cb 0.84 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.08 2jly h ASN 373 CO 0.07 0.15 -0.47 0.00 0.07 0.00 0.00 177.43 177.25 2jly h LEU 375 N 0.51 0.65 -0.95 0.00 3.38 -1.20 -3.33 115.31 114.37 2jly h LEU 375 Ca 0.03 -0.44 -0.09 0.00 0.09 0.00 0.00 57.88 57.47 2jly h LEU 375 Cb 1.01 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 41.55 2jly h LEU 375 CO 0.09 1.21 -0.22 0.03 0.09 0.00 0.00 178.44 179.64 2jly h ARG 376 N 0.36 0.51 0.00 1.13 3.08 -1.38 -2.04 114.38 116.05 2jly h ARG 376 Ca -0.05 -0.18 0.00 0.00 0.07 0.00 0.00 59.98 59.82 2jly h ARG 376 Cb 1.38 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 31.39 2jly h ARG 376 CO 0.14 0.70 0.00 0.36 -1.07 0.00 0.00 179.97 180.11 2jly n LYS 377 N -4.14 0.35 -0.61 0.04 2.85 -1.15 -0.80 118.16 114.70 2jly n LYS 377 Ca -0.00 0.08 0.09 0.00 -1.05 0.00 0.00 58.31 57.44 2jly n LYS 377 Cb 0.39 -1.50 0.36 0.00 -0.65 0.00 0.00 35.03 33.63 2jly n LYS 377 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 2jly n SER 378 N -1.19 4.76 -1.57 -5.58 7.64 -0.78 -4.94 113.62 111.96 2jly n SER 378 Ca 0.10 -2.46 -0.12 0.00 1.01 0.00 0.00 58.87 57.40 2jly n SER 378 Cb 0.11 -0.58 0.01 0.00 -1.01 0.00 0.00 64.21 62.75 2jly n SER 378 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2jly n GLY 379 N 1.09 0.01 3.77 0.23 0.00 0.02 -5.02 105.19 105.29 2jly n GLY 379 Ca 0.26 -0.34 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 2jly n GLY 379 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2jly s LYS 380 N -4.96 3.46 -0.52 1.61 2.47 -1.15 -5.03 119.74 115.62 2jly s LYS 380 Ca 0.11 -0.25 -0.26 0.00 -1.56 0.00 0.00 55.97 54.01 2jly s LYS 380 Cb -0.05 -3.10 0.03 0.00 -1.46 0.00 0.00 37.83 33.25 2jly s LYS 380 CO 0.14 0.64 1.01 1.03 0.16 0.00 0.00 175.35 178.33 2jly s ARG 381 N -0.64 3.48 -0.12 4.03 0.52 -1.26 -4.26 118.95 120.69 2jly s ARG 381 Ca 0.12 0.07 0.02 0.00 -0.52 0.00 0.00 55.73 55.42 2jly s ARG 381 Cb -0.12 -3.99 -0.00 0.00 0.52 0.00 0.00 34.95 31.36 2jly s ARG 381 CO 0.02 -1.44 -0.19 0.08 0.02 0.00 0.00 175.30 173.80 2jly s VAL 382 N 4.17 2.49 -0.16 3.52 1.01 -1.26 -0.78 120.40 129.39 2jly s VAL 382 Ca 0.37 -0.86 -0.04 0.00 0.00 0.00 0.00 61.98 61.46 2jly s VAL 382 Cb -0.10 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.25 2jly s VAL 382 CO 0.24 0.54 -0.04 -0.63 0.00 0.00 0.00 175.10 175.21 2jly s ILE 383 N 0.47 3.83 -0.25 2.22 1.01 -0.16 -5.00 121.20 123.32 2jly s ILE 383 Ca -0.13 -0.38 -0.09 0.00 0.00 0.00 0.00 60.65 60.05 2jly s ILE 383 Cb -0.17 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.58 2jly s ILE 383 CO 0.05 0.49 0.13 -1.10 0.00 0.00 0.00 174.94 174.51 2jly s GLN 384 N 0.43 3.87 -0.14 2.79 -0.21 -1.26 -0.57 119.66 124.58 2jly s GLN 384 Ca -0.04 -0.37 -0.00 0.00 0.02 0.00 0.00 55.36 54.97 2jly s GLN 384 Cb -0.14 -3.48 -0.01 0.00 1.00 0.00 0.00 33.01 30.37 2jly s GLN 384 CO 0.03 -0.09 -0.13 -0.51 -2.12 0.00 0.00 175.29 172.47 2jly s LEU 385 N 1.45 2.72 0.00 2.90 1.43 -0.48 -4.78 118.68 121.91 2jly s LEU 385 Ca 0.06 -0.34 -0.16 0.00 -1.03 0.00 0.00 54.13 52.66 2jly s LEU 385 Cb -0.15 -1.62 0.06 0.00 0.03 0.00 0.00 46.19 44.51 2jly s LEU 385 CO 0.06 0.15 0.81 -1.54 0.23 0.00 0.00 176.35 176.06 2jly n SER 386 N 3.62 -1.60 0.21 2.29 3.41 -1.26 -1.99 113.62 118.30 2jly n SER 386 Ca -0.18 -1.93 0.16 0.00 -0.26 0.00 0.00 58.87 56.65 2jly n SER 386 Cb 0.53 2.62 0.81 0.00 -0.26 0.00 0.00 64.21 67.90 2jly n SER 386 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2jly h ARG 387 N 0.00 0.00 0.00 4.33 0.11 -1.99 -1.23 114.38 115.60 2jly h ARG 387 Ca -0.24 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.65 2jly h ARG 387 Cb 1.01 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.06 2jly h ARG 387 CO 0.32 0.00 -1.36 0.87 0.10 0.00 0.00 179.97 179.90 2jly h LYS 388 N 0.00 0.00 -0.06 0.08 1.57 -1.98 -3.38 116.57 112.81 2jly h LYS 388 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2jly h LYS 388 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2jly h LYS 388 CO -0.00 0.39 0.00 0.25 -0.57 0.00 0.00 179.45 179.52 2jly n THR 389 N -2.98 0.35 -0.16 -0.16 -2.24 -1.09 -4.80 114.28 103.20 2jly n THR 389 Ca -0.09 -0.68 -0.03 0.00 -2.27 0.00 0.00 64.05 60.98 2jly n THR 389 Cb 0.88 0.89 0.04 0.00 -2.10 0.00 0.00 70.33 70.03 2jly n THR 389 CO 0.00 0.00 0.00 0.15 -0.57 0.00 0.00 175.07 174.65 2jly h PHE 390 N 0.91 -0.28 -0.33 4.78 3.57 -1.41 -2.40 116.94 121.78 2jly h PHE 390 Ca 0.00 0.05 0.04 0.00 3.53 0.00 0.00 57.97 61.59 2jly h PHE 390 Cb 0.34 0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.24 2jly h PHE 390 CO 0.03 -0.22 0.10 -0.44 -2.23 0.00 0.00 178.31 175.55 2jly h ASP 391 N -0.01 0.08 0.92 0.41 3.32 -1.87 0.34 116.42 119.61 2jly h ASP 391 Ca 0.24 0.04 -0.05 0.00 0.02 0.00 0.00 57.03 57.29 2jly h ASP 391 Cb 0.38 0.04 -0.01 0.00 0.22 0.00 0.00 39.33 39.96 2jly h ASP 391 CO -0.53 0.08 -1.12 0.71 -1.72 0.00 0.00 179.24 176.67 2jly h THR 392 N 0.23 0.15 0.00 0.35 1.35 -1.94 -3.41 112.91 109.64 2jly h THR 392 Ca 0.15 -1.29 -0.34 0.00 -0.55 0.00 0.00 66.41 64.37 2jly h THR 392 Cb 0.14 1.66 -0.06 0.00 -1.73 0.00 0.00 68.15 68.16 2jly h THR 392 CO -0.17 0.08 -2.15 -0.62 -0.25 0.00 0.00 175.52 172.41 2jly n GLU 393 N -2.75 0.67 -0.13 4.72 -0.58 -0.91 -4.36 120.64 117.31 2jly n GLU 393 Ca -0.03 0.10 -0.06 0.00 -0.42 0.00 0.00 57.16 56.76 2jly n GLU 393 Cb 0.64 -1.62 0.13 0.00 -0.57 0.00 0.00 31.44 30.02 2jly n GLU 393 CO 0.00 0.00 0.00 -0.92 -0.48 0.00 0.00 177.13 175.73 2jly h TYR 394 N 0.00 0.91 0.00 -0.32 3.20 -1.13 -2.09 116.97 117.53 2jly h TYR 394 Ca -0.46 -0.14 -0.01 0.00 3.14 0.00 0.00 58.73 61.26 2jly h TYR 394 Cb 2.16 -0.24 -0.00 0.00 1.54 0.00 0.00 36.73 40.19 2jly h TYR 394 CO 0.00 0.84 -0.04 -1.35 -1.64 0.00 0.00 178.16 175.97 2jly h PRO 395 N 0.78 0.00 0.00 1.82 0.11 -1.80 -2.76 132.00 130.15 2jly h PRO 395 Ca 0.15 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.17 2jly h PRO 395 Cb 0.50 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 2jly h PRO 395 CO 0.03 0.04 -0.42 0.87 -0.21 0.00 0.00 178.00 178.31 2jly h LYS 396 N 0.00 0.00 0.00 1.05 1.57 -1.58 -2.66 116.57 114.95 2jly h LYS 396 Ca -0.00 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2jly h LYS 396 Cb 0.13 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 2jly h LYS 396 CO 0.01 0.42 -0.33 1.79 -0.57 0.00 0.00 179.45 180.76 2jly h THR 397 N 0.00 0.86 -0.03 -0.16 1.35 -1.40 -3.01 112.91 110.52 2jly h THR 397 Ca -0.00 -1.34 -0.02 0.00 -0.55 0.00 0.00 66.41 64.49 2jly h THR 397 Cb 1.05 1.82 -0.01 0.00 -1.73 0.00 0.00 68.15 69.28 2jly h THR 397 CO 0.05 0.33 0.03 0.29 -0.25 0.00 0.00 175.52 175.97 2jly n LYS 398 N -3.59 1.05 -4.21 4.72 4.76 -1.00 -4.82 118.16 115.07 2jly n LYS 398 Ca -0.01 -0.11 -0.13 0.00 -2.87 0.00 0.00 58.31 55.20 2jly n LYS 398 Cb 0.46 -1.04 -0.10 0.00 -1.84 0.00 0.00 35.03 32.51 2jly n LYS 398 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2jly s LEU 399 N -0.12 1.20 0.00 -0.35 2.01 -1.14 -5.05 118.68 115.22 2jly s LEU 399 Ca 0.02 -1.41 0.27 0.00 0.01 0.00 0.00 54.13 53.02 2jly s LEU 399 Cb 0.02 0.38 0.84 0.00 0.01 0.00 0.00 46.19 47.44 2jly s LEU 399 CO 0.00 -0.85 1.62 1.07 1.01 0.00 0.00 176.35 179.21 2jly n THR 400 N -0.30 0.00 -0.82 5.49 5.66 -1.26 -4.54 114.28 118.52 2jly n THR 400 Ca 0.02 -0.08 -0.21 0.00 -3.05 0.00 0.00 64.05 60.74 2jly n THR 400 Cb 0.66 0.20 0.11 0.00 -1.55 0.00 0.00 70.33 69.75 2jly n THR 400 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 2jly n ASP 401 N -0.96 4.60 -4.04 1.09 2.03 -1.26 -4.91 116.55 113.10 2jly n ASP 401 Ca 0.11 -3.29 -0.10 0.00 0.52 0.00 0.00 54.79 52.03 2jly n ASP 401 Cb 0.33 -0.83 -0.11 0.00 -0.72 0.00 0.00 41.12 39.79 2jly n ASP 401 CO 0.00 0.00 0.00 -1.66 -1.92 0.00 0.00 177.20 173.62 2jly s TRP 402 N -2.62 0.49 -0.17 -0.67 1.48 -1.26 -4.90 118.94 111.29 2jly s TRP 402 Ca 0.45 -0.66 -0.05 0.00 -1.06 0.00 0.00 56.10 54.79 2jly s TRP 402 Cb 0.37 -0.32 -0.09 0.00 -1.16 0.00 0.00 33.47 32.27 2jly s TRP 402 CO 0.06 -0.19 -0.19 -0.25 -4.06 0.00 0.00 176.95 172.32 2jly n ASP 403 N 1.12 1.85 -4.18 -2.66 8.00 0.04 -4.86 116.55 115.85 2jly n ASP 403 Ca -0.21 0.09 -0.27 0.00 0.71 0.00 0.00 54.79 55.11 2jly n ASP 403 Cb 0.57 -0.41 -0.16 0.00 -0.02 0.00 0.00 41.12 41.10 2jly n ASP 403 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2jly s PHE 404 N -2.32 1.89 -0.30 1.24 0.08 -0.60 -0.82 117.98 117.14 2jly s PHE 404 Ca -0.24 -0.50 -0.07 0.00 0.12 0.00 0.00 56.93 56.25 2jly s PHE 404 Cb 0.08 -1.25 0.01 0.00 -0.57 0.00 0.00 43.02 41.29 2jly s PHE 404 CO 0.34 -0.14 0.09 0.08 -0.10 0.00 0.00 175.22 175.49 2jly s VAL 405 N -0.15 3.99 -0.42 -0.44 1.01 0.46 -0.98 120.40 123.87 2jly s VAL 405 Ca -0.01 -0.72 -0.16 0.00 0.00 0.00 0.00 61.98 61.10 2jly s VAL 405 Cb -0.11 -3.07 0.02 0.00 0.00 0.00 0.00 36.38 33.22 2jly s VAL 405 CO 0.02 0.05 0.35 -0.69 0.00 0.00 0.00 175.10 174.83 2jly s VAL 406 N 1.50 5.21 0.06 2.92 1.01 0.26 -0.17 120.40 131.18 2jly s VAL 406 Ca 0.02 -0.60 0.05 0.00 0.00 0.00 0.00 61.98 61.45 2jly s VAL 406 Cb -0.17 -3.98 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 2jly s VAL 406 CO 0.03 -0.37 -0.14 0.28 0.00 0.00 0.00 175.10 174.90 2jly s THR 407 N 1.81 1.11 0.23 3.92 -1.32 0.26 -1.38 115.64 120.28 2jly s THR 407 Ca 0.07 -1.15 -0.04 0.00 -1.21 0.00 0.00 61.69 59.36 2jly s THR 407 Cb -0.19 -1.04 0.05 0.00 -1.51 0.00 0.00 72.50 69.82 2jly s THR 407 CO 0.11 -0.11 0.32 0.35 -2.21 0.00 0.00 174.62 173.07 2jly n THR 408 N 1.58 0.00 0.69 5.08 -2.24 -0.84 -0.55 114.28 118.00 2jly n THR 408 Ca -0.20 -0.23 0.02 0.00 -2.27 0.00 0.00 64.05 61.38 2jly n THR 408 Cb 0.54 -1.87 0.14 0.00 -2.10 0.00 0.00 70.33 67.04 2jly n THR 408 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2jly n ASP 409 N -3.21 0.00 0.25 3.42 8.00 -1.26 -2.79 116.55 120.96 2jly n ASP 409 Ca 0.04 -0.54 0.07 0.00 0.71 0.00 0.00 54.79 55.07 2jly n ASP 409 Cb 0.14 0.00 0.59 0.00 -0.02 0.00 0.00 41.12 41.83 2jly n ASP 409 CO 0.00 0.00 0.00 -0.29 -0.39 0.00 0.00 177.20 176.52 2jly h ILE 410 N 0.00 1.02 -0.36 0.53 2.10 -1.91 -2.77 117.51 116.12 2jly h ILE 410 Ca 0.00 -0.30 0.00 0.00 1.08 0.00 0.00 64.86 65.64 2jly h ILE 410 Cb 0.00 1.16 0.00 0.00 -1.09 0.00 0.00 36.82 36.89 2jly h ILE 410 CO 0.00 0.08 0.00 -1.20 -1.08 0.00 0.00 178.15 175.95 2jly n SER 411 N -4.38 3.16 -0.23 2.19 7.64 -1.12 -4.54 113.62 116.34 2jly n SER 411 Ca -0.03 -1.91 0.07 0.00 1.01 0.00 0.00 58.87 58.01 2jly n SER 411 Cb 0.16 -0.23 0.33 0.00 -1.01 0.00 0.00 64.21 63.46 2jly n SER 411 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2jly h GLU 412 N 3.53 0.79 -6.51 1.43 4.81 -1.67 -3.41 114.58 113.55 2jly h GLU 412 Ca 0.00 -0.05 -0.64 0.00 -0.13 0.00 0.00 59.36 58.54 2jly h GLU 412 Cb 0.85 -0.18 -0.15 0.00 0.63 0.00 0.00 28.75 29.90 2jly h GLU 412 CO 0.00 0.52 -0.74 -1.64 -0.73 0.00 0.00 179.01 176.42 2jly s MET 413 N -5.73 1.99 0.00 1.92 -1.94 -1.26 -3.80 119.30 110.48 2jly s MET 413 Ca -0.10 -1.24 0.00 0.00 -1.71 0.00 0.00 55.69 52.64 2jly s MET 413 Cb 0.20 -2.15 0.00 0.00 2.01 0.00 0.00 34.83 34.89 2jly s MET 413 CO 0.78 0.45 0.00 0.41 -0.01 0.00 0.00 175.02 176.65 2jly n GLY 414 N 0.26 1.92 3.77 -0.03 0.00 -1.26 -4.55 105.19 105.29 2jly n GLY 414 Ca -0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.49 2jly n GLY 414 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2jly s ALA 415 N -0.20 3.63 -0.73 4.61 0.00 -1.26 -4.90 121.76 122.91 2jly s ALA 415 Ca 0.00 1.53 0.04 0.00 0.00 0.00 0.00 51.96 53.53 2jly s ALA 415 Cb 0.00 -3.61 0.26 0.00 0.00 0.00 0.00 23.12 19.77 2jly s ALA 415 CO 0.00 -0.97 0.87 0.09 0.00 0.00 0.00 175.76 175.75 2jly n ASN 416 N 1.22 4.24 0.26 0.00 3.02 -1.26 -4.81 115.26 117.93 2jly n ASN 416 Ca 0.04 -3.43 0.17 0.00 -0.03 0.00 0.00 54.58 51.33 2jly n ASN 416 Cb 0.39 -0.79 0.73 0.00 -0.61 0.00 0.00 39.78 39.50 2jly n ASN 416 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 2jly h PHE 417 N 4.49 0.00 -5.87 3.10 0.04 -1.93 -3.47 116.94 113.30 2jly h PHE 417 Ca 0.20 0.00 -0.38 0.00 2.80 0.00 0.00 57.97 60.58 2jly h PHE 417 Cb 0.66 0.00 0.12 0.00 2.20 0.00 0.00 35.95 38.92 2jly h PHE 417 CO 0.77 0.00 -0.76 -2.13 -0.60 0.00 0.00 178.31 175.59 2jly n ARG 418 N -2.90 -6.50 -3.20 1.51 0.63 -1.26 -4.97 116.66 99.96 2jly n ARG 418 Ca 0.00 0.77 -0.20 0.00 -0.92 0.00 0.00 57.85 57.50 2jly n ARG 418 Cb 0.24 -5.69 0.03 0.00 0.45 0.00 0.00 32.46 27.50 2jly n ARG 418 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2jly s ALA 419 N -3.41 4.57 -0.07 5.13 0.00 -1.26 -4.95 121.76 121.77 2jly s ALA 419 Ca 0.23 -1.89 0.10 0.00 0.00 0.00 0.00 51.96 50.40 2jly s ALA 419 Cb -0.10 -1.35 -0.15 0.00 0.00 0.00 0.00 23.12 21.51 2jly s ALA 419 CO 0.76 -0.60 0.25 0.41 0.00 0.00 0.00 175.76 176.57 2jly n GLY 420 N -2.02 -0.39 3.05 0.00 0.00 -0.31 -4.80 105.19 100.73 2jly n GLY 420 Ca 0.10 -0.25 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 2jly n GLY 420 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2jly s ARG 421 N -2.60 0.20 -0.13 1.61 3.52 -0.62 -0.40 118.95 120.53 2jly s ARG 421 Ca -0.03 0.25 -0.01 0.00 -0.13 0.00 0.00 55.73 55.81 2jly s ARG 421 Cb 0.07 0.09 -0.02 0.00 -1.56 0.00 0.00 34.95 33.53 2jly s ARG 421 CO 0.42 -0.03 -0.10 0.08 -0.81 0.00 0.00 175.30 174.86 2jly s VAL 422 N 0.13 3.34 -0.30 7.11 1.01 -0.31 -0.41 120.40 130.96 2jly s VAL 422 Ca -0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 2jly s VAL 422 Cb -0.02 -2.42 -0.03 0.00 0.00 0.00 0.00 36.38 33.91 2jly s VAL 422 CO 0.00 0.52 0.18 -0.63 0.00 0.00 0.00 175.10 175.17 2jly s ILE 423 N 0.26 5.06 -0.31 2.22 1.01 0.05 -0.15 121.20 129.34 2jly s ILE 423 Ca -0.07 -0.09 0.01 0.00 0.00 0.00 0.00 60.65 60.50 2jly s ILE 423 Cb -0.15 -3.49 0.10 0.00 0.01 0.00 0.00 42.46 38.93 2jly s ILE 423 CO 0.05 0.15 0.07 -0.62 0.00 0.00 0.00 174.94 174.58 2jly s ASP 424 N 1.71 4.22 0.47 3.58 2.15 0.14 -1.82 116.67 127.11 2jly s ASP 424 Ca 0.06 -1.74 0.32 0.00 0.43 0.00 0.00 52.55 51.62 2jly s ASP 424 Cb -0.16 -1.12 1.54 0.00 -0.30 0.00 0.00 42.92 42.88 2jly s ASP 424 CO 0.09 -0.39 1.96 -0.65 -0.17 0.00 0.00 175.17 176.01 2jly h PRO 425 N 7.93 0.00 -4.58 4.34 0.11 -1.82 -2.68 132.00 135.30 2jly h PRO 425 Ca -0.11 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.60 2jly h PRO 425 Cb 1.02 0.00 0.04 0.00 0.11 0.00 0.00 31.00 32.17 2jly h PRO 425 CO 0.48 0.00 -0.60 0.54 -0.21 0.00 0.00 178.00 178.21 2jly n ARG 426 N -2.70 -4.59 -4.31 1.05 1.74 -1.26 -4.38 116.66 102.21 2jly n ARG 426 Ca -0.01 0.85 -0.19 0.00 -0.77 0.00 0.00 57.85 57.73 2jly n ARG 426 Cb 0.16 -5.69 -0.11 0.00 -1.02 0.00 0.00 32.46 25.81 2jly n ARG 426 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2jly s ARG 427 N -5.73 1.23 -0.07 5.56 0.52 -1.26 -0.97 118.95 118.22 2jly s ARG 427 Ca 0.31 -1.44 -0.29 0.00 -0.52 0.00 0.00 55.73 53.78 2jly s ARG 427 Cb -0.14 -1.12 0.11 0.00 0.52 0.00 0.00 34.95 34.32 2jly s ARG 427 CO 0.38 0.20 0.90 0.00 0.02 0.00 0.00 175.30 176.80 2jly s LEU 429 N -1.69 4.53 -0.13 0.00 1.43 -1.26 -0.25 118.68 121.30 2jly s LEU 429 Ca -0.00 1.53 0.03 0.00 -1.03 0.00 0.00 54.13 54.65 2jly s LEU 429 Cb -0.01 -3.23 0.01 0.00 0.03 0.00 0.00 46.19 42.99 2jly s LEU 429 CO -0.02 0.14 -0.21 -0.75 0.23 0.00 0.00 176.35 175.74 2jly s LYS 430 N -0.73 2.92 0.11 1.70 2.20 0.56 -4.94 119.74 121.55 2jly s LYS 430 Ca 0.36 -0.82 -0.31 0.00 -0.36 0.00 0.00 55.97 54.84 2jly s LYS 430 Cb -0.22 -2.35 -0.08 0.00 -1.51 0.00 0.00 37.83 33.68 2jly s LYS 430 CO 0.24 0.00 1.38 -1.25 -0.36 0.00 0.00 175.35 175.37 2jly s PRO 431 N 0.78 4.32 -0.07 4.03 0.04 -1.26 -0.22 135.00 142.62 2jly s PRO 431 Ca -0.08 2.06 0.03 0.00 0.04 0.00 0.00 61.00 63.04 2jly s PRO 431 Cb -0.16 -3.27 0.01 0.00 0.04 0.00 0.00 34.50 31.12 2jly s PRO 431 CO -0.01 -0.43 -0.16 0.08 0.04 0.00 0.00 177.00 176.52 2jly s VAL 432 N 1.16 1.42 -0.26 -0.36 1.01 -0.41 -0.82 120.40 122.14 2jly s VAL 432 Ca 0.64 -0.66 -0.26 0.00 0.00 0.00 0.00 61.98 61.71 2jly s VAL 432 Cb -0.36 -1.26 0.00 0.00 0.00 0.00 0.00 36.38 34.76 2jly s VAL 432 CO 0.30 0.42 0.90 -0.63 0.00 0.00 0.00 175.10 176.09 2jly s ILE 433 N 0.48 4.75 -0.07 2.22 1.01 -1.26 -1.24 121.20 127.10 2jly s ILE 433 Ca -0.14 1.65 -0.17 0.00 0.00 0.00 0.00 60.65 61.99 2jly s ILE 433 Cb -0.16 -4.20 -0.05 0.00 0.01 0.00 0.00 42.46 38.06 2jly s ILE 433 CO 0.05 -0.17 0.44 -0.76 0.00 0.00 0.00 174.94 174.50 2jly s LEU 434 N 3.04 4.35 -0.01 2.97 1.43 0.71 -4.97 118.68 126.21 2jly s LEU 434 Ca 0.38 0.86 0.08 0.00 -1.03 0.00 0.00 54.13 54.42 2jly s LEU 434 Cb -0.15 -2.64 -0.12 0.00 0.03 0.00 0.00 46.19 43.32 2jly s LEU 434 CO 0.09 0.13 0.22 0.35 0.23 0.00 0.00 176.35 177.37 2jly n THR 435 N 2.94 0.00 -2.39 5.49 -2.24 -1.26 -2.76 114.28 114.05 2jly n THR 435 Ca -0.10 -0.22 -0.43 0.00 -2.27 0.00 0.00 64.05 61.03 2jly n THR 435 Cb 0.52 0.47 -0.02 0.00 -2.10 0.00 0.00 70.33 69.20 2jly n THR 435 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2jly s ASP 436 N -2.68 6.59 0.00 3.42 1.11 -1.26 -4.72 116.67 119.13 2jly s ASP 436 Ca -0.02 1.16 0.00 0.00 0.18 0.00 0.00 52.55 53.88 2jly s ASP 436 Cb 0.06 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.51 2jly s ASP 436 CO 0.34 -1.15 0.00 0.61 1.18 0.00 0.00 175.17 176.15 2jly n GLY 437 N 4.47 -1.95 3.72 0.21 0.00 -1.26 -4.87 105.19 105.51 2jly n GLY 437 Ca 0.15 -1.59 -0.42 0.00 0.00 0.00 0.00 46.02 44.16 2jly n GLY 437 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2jly n PRO 438 N 0.00 2.38 -2.17 1.61 -0.02 -1.26 -4.92 135.00 130.62 2jly n PRO 438 Ca 0.00 0.84 -0.42 0.00 -2.02 0.00 0.00 63.50 61.90 2jly n PRO 438 Cb 0.00 -2.51 -0.03 0.00 -0.02 0.00 0.00 33.50 30.94 2jly n PRO 438 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 2jly s GLU 439 N -1.44 4.34 0.21 -0.52 2.12 -1.26 -4.83 118.70 117.33 2jly s GLU 439 Ca 0.58 2.10 -0.17 0.00 0.36 0.00 0.00 54.97 57.85 2jly s GLU 439 Cb -0.54 -3.21 0.02 0.00 0.26 0.00 0.00 34.13 30.66 2jly s GLU 439 CO 0.58 -0.37 0.53 -0.98 -0.54 0.00 0.00 175.26 174.48 2jly s ARG 440 N 0.47 1.45 -0.14 4.30 1.70 -1.11 -4.63 118.95 120.99 2jly s ARG 440 Ca 0.61 -0.97 -0.02 0.00 -0.47 0.00 0.00 55.73 54.88 2jly s ARG 440 Cb -0.37 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.49 2jly s ARG 440 CO 0.35 -0.62 -0.05 0.08 -1.08 0.00 0.00 175.30 173.98 2jly s VAL 441 N -3.91 3.77 0.34 4.99 1.01 -0.03 -0.20 120.40 126.37 2jly s VAL 441 Ca 0.12 -0.41 0.09 0.00 0.00 0.00 0.00 61.98 61.78 2jly s VAL 441 Cb -0.01 -2.63 -0.05 0.00 0.00 0.00 0.00 36.38 33.69 2jly s VAL 441 CO 0.01 0.52 0.08 0.27 0.00 0.00 0.00 175.10 175.97 2jly s ILE 442 N 0.12 2.86 -0.47 2.22 -4.36 -0.37 -1.09 121.20 120.11 2jly s ILE 442 Ca -0.02 -1.83 -0.11 0.00 -0.26 0.00 0.00 60.65 58.43 2jly s ILE 442 Cb -0.14 -2.89 0.10 0.00 1.25 0.00 0.00 42.46 40.78 2jly s ILE 442 CO 0.03 -0.20 0.35 -0.76 0.24 0.00 0.00 174.94 174.61 2jly s LEU 443 N -3.78 5.61 0.27 0.37 1.43 -1.26 -1.28 118.68 120.03 2jly s LEU 443 Ca 0.36 -1.68 -0.15 0.00 -1.03 0.00 0.00 54.13 51.64 2jly s LEU 443 Cb -0.02 -2.06 -0.08 0.00 0.03 0.00 0.00 46.19 44.06 2jly s LEU 443 CO 0.21 -0.67 0.68 0.00 0.23 0.00 0.00 176.35 176.80 2jly s ALA 444 N 1.46 3.42 0.00 4.21 0.00 0.70 -4.84 121.76 126.71 2jly s ALA 444 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 51.98 2jly s ALA 444 Cb -0.26 -2.68 0.00 0.00 0.00 0.00 0.00 23.12 20.18 2jly s ALA 444 CO 0.02 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.57 2jly n GLY 445 N 0.01 -0.44 3.78 0.00 0.00 -1.26 -0.33 105.19 106.94 2jly n GLY 445 Ca 0.01 -2.18 -0.41 0.00 0.00 0.00 0.00 46.02 43.44 2jly n GLY 445 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 2jly s PRO 446 N 0.00 4.13 0.25 1.61 0.02 -1.26 -4.99 135.00 134.76 2jly s PRO 446 Ca 0.00 2.55 0.10 0.00 0.02 0.00 0.00 61.00 63.66 2jly s PRO 446 Cb 0.00 -2.98 -0.05 0.00 0.02 0.00 0.00 34.50 31.49 2jly s PRO 446 CO 0.00 -0.52 -0.16 0.96 -0.33 0.00 0.00 177.00 176.95 2jly s ILE 447 N -1.01 2.10 0.43 2.83 -4.36 0.65 -4.82 121.20 117.02 2jly s ILE 447 Ca 0.53 -2.30 -0.25 0.00 -0.26 0.00 0.00 60.65 58.38 2jly s ILE 447 Cb -0.46 -2.22 -0.10 0.00 1.25 0.00 0.00 42.46 40.93 2jly s ILE 447 CO 0.61 -0.47 1.16 -2.65 0.24 0.00 0.00 174.94 173.83 2jly n PRO 448 N -0.52 1.65 -1.60 0.37 -0.02 -1.26 -1.13 135.00 132.49 2jly n PRO 448 Ca -0.06 0.59 -0.29 0.00 -2.02 0.00 0.00 63.50 61.71 2jly n PRO 448 Cb 0.61 -2.24 0.11 0.00 -0.02 0.00 0.00 33.50 31.96 2jly n PRO 448 CO 0.00 0.00 0.00 0.14 1.98 0.00 0.00 175.50 177.62 2jly s VAL 449 N -1.24 2.53 0.64 -1.45 -7.23 -0.15 -4.31 120.40 109.20 2jly s VAL 449 Ca 0.63 0.17 -0.15 0.00 -1.81 0.00 0.00 61.98 60.82 2jly s VAL 449 Cb -0.53 -2.96 -0.01 0.00 0.56 0.00 0.00 36.38 33.45 2jly s VAL 449 CO 0.57 -0.23 1.08 0.42 -0.31 0.00 0.00 175.10 176.63 2jly s THR 450 N -3.26 3.59 0.38 5.32 -4.23 -1.24 -0.49 115.64 115.71 2jly s THR 450 Ca 0.62 0.70 0.11 0.00 -1.18 0.00 0.00 61.69 61.95 2jly s THR 450 Cb -0.14 -3.25 0.33 0.00 1.34 0.00 0.00 72.50 70.79 2jly s THR 450 CO 0.53 -0.50 1.88 -0.65 -0.54 0.00 0.00 174.62 175.35 2jly h PRO 451 N 0.05 0.58 -0.55 3.99 0.11 -1.85 -1.83 132.00 132.51 2jly h PRO 451 Ca -0.46 -0.03 -0.08 0.00 0.11 0.00 0.00 66.00 65.54 2jly h PRO 451 Cb 1.23 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2jly h PRO 451 CO 0.56 0.38 0.04 0.00 -0.21 0.00 0.00 178.00 178.76 2jly h ALA 452 N 1.61 1.04 -0.07 -0.75 0.00 -1.88 -1.18 119.26 118.02 2jly h ALA 452 Ca 0.42 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2jly h ALA 452 Cb 0.78 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 2jly h ALA 452 CO -0.18 0.61 -0.01 0.77 0.00 0.00 0.00 179.25 180.44 2jly h SER 453 N 0.84 0.13 -0.58 0.00 0.02 -1.74 -1.42 113.55 110.81 2jly h SER 453 Ca 0.16 -0.35 0.08 0.00 -0.84 0.00 0.00 61.79 60.85 2jly h SER 453 Cb 0.45 -0.04 -0.07 0.00 0.14 0.00 0.00 62.40 62.89 2jly h SER 453 CO 0.02 0.46 0.22 0.00 -1.14 0.00 0.00 176.83 176.38 2jly h ALA 454 N 0.68 0.74 -0.72 3.77 0.00 -1.34 -0.99 119.26 121.40 2jly h ALA 454 Ca 0.02 0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2jly h ALA 454 Cb 0.39 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 2jly h ALA 454 CO 0.01 -0.19 0.24 0.00 0.00 0.00 0.00 179.25 179.32 2jly h ALA 455 N 1.39 1.06 -0.32 0.00 0.00 -1.17 -1.16 119.26 119.07 2jly h ALA 455 Ca 0.29 -0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.95 2jly h ALA 455 Cb 0.33 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2jly h ALA 455 CO -0.28 0.64 0.04 1.96 0.00 0.00 0.00 179.25 181.61 2jly h GLN 456 N 1.07 0.54 -0.49 0.00 1.08 -0.94 -1.22 115.11 115.16 2jly h GLN 456 Ca 0.24 -0.15 -0.04 0.00 -1.45 0.00 0.00 58.65 57.25 2jly h GLN 456 Cb 0.27 -0.06 -0.02 0.00 -0.05 0.00 0.00 27.48 27.62 2jly h GLN 456 CO -0.01 0.64 0.15 0.00 -0.95 0.00 0.00 178.83 178.66 2jly h ARG 457 N 0.36 0.76 -0.07 1.46 3.08 -1.08 -2.34 114.38 116.54 2jly h ARG 457 Ca 0.09 -0.16 -0.06 0.00 0.07 0.00 0.00 59.98 59.92 2jly h ARG 457 Cb 0.37 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 2jly h ARG 457 CO 0.01 0.71 -0.22 -0.09 -1.07 0.00 0.00 179.97 179.31 2jly h ARG 458 N 0.65 0.12 0.00 0.04 2.43 -1.25 -2.89 114.38 113.48 2jly h ARG 458 Ca 0.16 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2jly h ARG 458 Cb 0.27 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 29.81 2jly h ARG 458 CO -0.00 0.33 0.00 0.41 -1.51 0.00 0.00 179.97 179.20 2jly n GLY 459 N -0.78 -0.85 0.23 2.80 0.00 -0.46 -2.43 105.19 103.69 2jly n GLY 459 Ca -0.02 0.03 0.08 0.00 0.00 0.00 0.00 46.02 46.12 2jly n GLY 459 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2jly h ARG 460 N 0.00 0.00 -5.44 1.61 2.47 -1.47 -3.44 114.38 108.11 2jly h ARG 460 Ca 0.00 0.00 -0.65 0.00 -1.26 0.00 0.00 59.98 58.07 2jly h ARG 460 Cb 0.14 0.00 -0.11 0.00 -1.65 0.00 0.00 29.97 28.35 2jly h ARG 460 CO 0.00 0.23 -0.50 0.96 0.56 0.00 0.00 179.97 181.23 2jly s ILE 461 N -4.09 1.47 -1.16 2.04 -5.25 -1.02 -4.62 121.20 108.57 2jly s ILE 461 Ca -0.02 -1.90 0.00 0.00 -0.99 0.00 0.00 60.65 57.74 2jly s ILE 461 Cb 0.13 -2.37 0.00 0.00 2.95 0.00 0.00 42.46 43.17 2jly s ILE 461 CO 0.65 0.00 0.00 0.61 -1.79 0.00 0.00 174.94 174.41 2jly n GLY 462 N -1.28 0.68 0.07 6.27 0.00 -1.26 -4.92 105.19 104.74 2jly n GLY 462 Ca -0.13 -0.43 0.06 0.00 0.00 0.00 0.00 46.02 45.52 2jly n GLY 462 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jly n ARG 463 N -2.43 0.64 -3.27 1.61 1.74 -1.26 -0.84 116.66 112.85 2jly n ARG 463 Ca -0.13 -0.01 -0.43 0.00 -0.77 0.00 0.00 57.85 56.51 2jly n ARG 463 Cb 0.49 -1.66 -0.08 0.00 -1.02 0.00 0.00 32.46 30.19 2jly n ARG 463 CO 0.00 0.00 0.00 1.21 -1.52 0.00 0.00 177.63 177.32 2jly s ASN 464 N -5.12 6.22 0.60 0.55 3.84 -1.26 -4.74 114.94 115.03 2jly s ASN 464 Ca -0.05 -0.69 0.40 0.00 0.21 0.00 0.00 52.86 52.73 2jly s ASN 464 Cb 0.11 -2.24 2.08 0.00 -0.55 0.00 0.00 41.25 40.64 2jly s ASN 464 CO 0.85 -0.65 2.22 -0.65 -2.79 0.00 0.00 177.10 176.07 2jly h PRO 465 N 8.79 0.00 0.00 0.43 0.11 -1.88 -0.29 132.00 139.16 2jly h PRO 465 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2jly h PRO 465 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2jly h PRO 465 CO 0.84 0.00 -0.43 0.00 -0.21 0.00 0.00 178.00 178.20 2jly n ALA 466 N -2.05 3.36 -3.87 -0.75 0.00 -1.26 -4.72 120.51 111.22 2jly n ALA 466 Ca -0.02 -0.31 -0.33 0.00 0.00 0.00 0.00 53.44 52.77 2jly n ALA 466 Cb 0.12 -1.17 -0.14 0.00 0.00 0.00 0.00 19.45 18.25 2jly n ALA 466 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.50 176.36 2jly s GLN 467 N -3.00 2.04 0.00 0.00 0.74 -0.12 -5.01 119.66 114.32 2jly s GLN 467 Ca 0.11 -1.56 0.20 0.00 0.05 0.00 0.00 55.36 54.16 2jly s GLN 467 Cb 0.18 -3.20 -0.08 0.00 1.10 0.00 0.00 33.01 31.01 2jly s GLN 467 CO 0.67 -0.79 0.94 0.39 -0.55 0.00 0.00 175.29 175.96 2jly n GLU 468 N 4.47 1.13 -0.94 1.67 1.02 -1.26 -4.49 120.64 122.23 2jly n GLU 468 Ca -0.07 -0.61 -0.07 0.00 -0.02 0.00 0.00 57.16 56.40 2jly n GLU 468 Cb 0.42 -1.41 0.18 0.00 -0.02 0.00 0.00 31.44 30.61 2jly n GLU 468 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 2jly n ASP 469 N -0.55 2.84 -4.72 1.62 5.75 -1.26 -4.39 116.55 115.84 2jly n ASP 469 Ca 0.07 -3.81 -0.35 0.00 -0.01 0.00 0.00 54.79 50.69 2jly n ASP 469 Cb 0.38 -0.61 0.09 0.00 -1.03 0.00 0.00 41.12 39.95 2jly n ASP 469 CO 0.00 0.00 0.00 -1.81 -0.11 0.00 0.00 177.20 175.28 2jly s ASP 470 N -2.69 4.23 0.01 -1.12 1.11 -1.26 -4.85 116.67 112.11 2jly s ASP 470 Ca 0.46 2.44 0.05 0.00 0.18 0.00 0.00 52.55 55.68 2jly s ASP 470 Cb 0.41 -2.60 -0.02 0.00 1.07 0.00 0.00 42.92 41.78 2jly s ASP 470 CO -0.01 -2.24 -0.16 -1.10 1.18 0.00 0.00 175.17 172.84 2jly s GLN 471 N -3.78 1.18 -0.28 8.23 -0.21 0.47 -1.26 119.66 124.01 2jly s GLN 471 Ca 0.77 -0.69 0.02 0.00 0.02 0.00 0.00 55.36 55.48 2jly s GLN 471 Cb -0.32 -1.19 0.08 0.00 1.00 0.00 0.00 33.01 32.58 2jly s GLN 471 CO 0.44 0.31 -0.02 -0.47 -2.12 0.00 0.00 175.29 173.43 2jly s TYR 472 N -0.60 2.99 -0.35 0.91 5.04 -0.05 -1.17 117.35 124.12 2jly s TYR 472 Ca 0.05 -2.30 -0.14 0.00 -2.44 0.00 0.00 57.07 52.23 2jly s TYR 472 Cb -0.07 -2.12 -0.01 0.00 0.35 0.00 0.00 41.96 40.11 2jly s TYR 472 CO 0.00 -0.87 0.31 0.08 -1.34 0.00 0.00 175.55 173.74 2jly s VAL 473 N 1.18 5.22 0.38 3.14 1.01 0.78 -0.69 120.40 131.42 2jly s VAL 473 Ca 0.00 -0.11 0.05 0.00 0.00 0.00 0.00 61.98 61.92 2jly s VAL 473 Cb -0.19 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 2jly s VAL 473 CO -0.09 -0.08 0.04 0.72 0.00 0.00 0.00 175.10 175.70 2jly s PHE 474 N 1.88 2.14 -0.05 5.22 -0.71 0.05 0.28 117.98 126.79 2jly s PHE 474 Ca 0.09 -0.88 -0.02 0.00 -1.04 0.00 0.00 56.93 55.07 2jly s PHE 474 Cb -0.17 -1.47 0.03 0.00 -1.21 0.00 0.00 43.02 40.20 2jly s PHE 474 CO 0.11 0.16 0.06 0.45 -1.34 0.00 0.00 175.22 174.66 2jly s SER 475 N -3.61 1.25 0.00 1.98 0.15 -1.01 -1.68 113.70 110.78 2jly s SER 475 Ca 0.33 0.02 0.00 0.00 0.70 0.00 0.00 55.95 56.99 2jly s SER 475 Cb 0.08 -0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.25 2jly s SER 475 CO 0.15 -0.26 0.00 0.61 1.20 0.00 0.00 173.24 174.94 2jly n GLY 476 N 5.30 -1.20 3.84 9.45 0.00 -1.26 -4.44 105.19 116.88 2jly n GLY 476 Ca -0.03 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.05 2jly n GLY 476 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2jly s ASP 477 N -3.74 6.71 0.81 1.61 -0.00 -1.26 -5.02 116.67 115.78 2jly s ASP 477 Ca 0.00 1.58 -0.11 0.00 -0.00 0.00 0.00 52.55 54.02 2jly s ASP 477 Cb 0.00 -2.51 0.08 0.00 -0.00 0.00 0.00 42.92 40.49 2jly s ASP 477 CO 0.00 -0.52 1.10 -2.84 -0.00 0.00 0.00 175.17 172.91 2jly s PRO 478 N -3.81 2.00 -0.24 8.23 0.02 -1.26 -4.76 135.00 135.18 2jly s PRO 478 Ca 0.59 0.65 0.02 0.00 0.02 0.00 0.00 61.00 62.29 2jly s PRO 478 Cb -0.10 -1.91 0.05 0.00 0.02 0.00 0.00 34.50 32.57 2jly s PRO 478 CO 0.26 -1.68 -0.12 -1.17 -0.33 0.00 0.00 177.00 173.96 2jly s LEU 479 N -5.82 3.06 0.13 -5.54 0.20 0.36 -4.90 118.68 106.18 2jly s LEU 479 Ca 0.61 -1.21 -0.06 0.00 0.69 0.00 0.00 54.13 54.16 2jly s LEU 479 Cb -0.15 -1.49 -0.07 0.00 -0.43 0.00 0.00 46.19 44.06 2jly s LEU 479 CO 0.54 -0.16 1.34 0.50 -0.29 0.00 0.00 176.35 178.29 2jly h LYS 480 N 7.83 0.52 -6.37 1.98 3.64 -1.93 -3.30 116.57 118.94 2jly h LYS 480 Ca -0.24 -0.48 -0.55 0.00 -1.27 0.00 0.00 60.65 58.11 2jly h LYS 480 Cb 1.06 0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 32.95 2jly h LYS 480 CO 0.49 1.11 1.14 1.21 -2.27 0.00 0.00 179.45 181.13 2jly s ASN 481 N -7.07 6.06 -0.15 4.20 3.84 -1.26 -4.82 114.94 115.73 2jly s ASN 481 Ca -0.07 0.49 0.15 0.00 0.21 0.00 0.00 52.86 53.63 2jly s ASN 481 Cb 0.09 -2.54 0.35 0.00 -0.55 0.00 0.00 41.25 38.60 2jly s ASN 481 CO 0.87 -1.73 1.18 -0.90 -2.79 0.00 0.00 177.10 173.73 2jly n ASP 482 N 9.83 1.82 0.18 -4.21 5.75 -1.26 -4.82 116.55 123.84 2jly n ASP 482 Ca 0.15 -3.36 0.14 0.00 -0.01 0.00 0.00 54.79 51.70 2jly n ASP 482 Cb 0.49 -0.46 0.71 0.00 -1.03 0.00 0.00 41.12 40.83 2jly n ASP 482 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 2jly h GLU 483 N 0.55 0.00 -0.01 0.11 5.08 -1.87 -1.22 114.58 117.23 2jly h GLU 483 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2jly h GLU 483 Cb 1.08 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.33 2jly h GLU 483 CO 0.01 0.00 -0.07 -0.40 -1.00 0.00 0.00 179.01 177.55 2jly n ASP 484 N -4.32 0.58 -4.74 1.42 5.75 -1.26 -4.80 116.55 109.18 2jly n ASP 484 Ca 0.02 -0.86 -0.41 0.00 -0.01 0.00 0.00 54.79 53.52 2jly n ASP 484 Cb 0.28 -0.04 -0.03 0.00 -1.03 0.00 0.00 41.12 40.30 2jly n ASP 484 CO 0.00 0.00 0.00 -2.28 -0.11 0.00 0.00 177.20 174.81 2jly s HIS 485 N -2.27 3.24 0.17 2.11 2.46 -0.46 -4.02 115.29 116.52 2jly s HIS 485 Ca 0.35 1.23 0.33 0.00 0.47 0.00 0.00 55.06 57.45 2jly s HIS 485 Cb 0.21 -3.61 1.70 0.00 -0.13 0.00 0.00 32.58 30.75 2jly s HIS 485 CO 0.42 -1.88 2.01 0.00 -2.47 0.00 0.00 174.74 172.83 2jly h ALA 486 N 5.22 1.00 0.00 1.58 0.00 -1.30 -3.17 119.26 122.58 2jly h ALA 486 Ca -0.45 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2jly h ALA 486 Cb 1.22 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jly h ALA 486 CO 0.76 0.00 -0.01 1.12 0.00 0.00 0.00 179.25 181.13 2jly h HIS 487 N 0.00 0.00 0.17 0.00 2.07 -1.89 -0.94 115.15 114.56 2jly h HIS 487 Ca 0.00 0.00 -0.31 0.00 -2.85 0.00 0.00 60.37 57.21 2jly h HIS 487 Cb 0.14 0.00 0.03 0.00 2.57 0.00 0.00 27.41 30.15 2jly h HIS 487 CO 0.00 0.01 -1.34 -1.49 -3.07 0.00 0.00 177.93 172.04 2jly h TRP 488 N 0.00 1.00 -0.16 6.12 4.06 -1.88 -1.50 115.95 123.59 2jly h TRP 488 Ca -0.00 -0.67 -0.04 0.00 2.06 0.00 0.00 58.89 60.24 2jly h TRP 488 Cb 0.33 -0.07 -0.00 0.00 -1.00 0.00 0.00 29.16 28.42 2jly h TRP 488 CO 0.00 1.51 -0.05 1.15 -3.56 0.00 0.00 178.44 177.49 2jly h THR 489 N 0.23 1.29 -0.36 1.49 2.02 -1.70 -3.12 112.91 112.77 2jly h THR 489 Ca -0.21 -1.03 -0.07 0.00 0.77 0.00 0.00 66.41 65.87 2jly h THR 489 Cb 2.02 1.64 -0.02 0.00 -1.74 0.00 0.00 68.15 70.05 2jly h THR 489 CO 0.25 0.30 -0.07 -0.33 0.37 0.00 0.00 175.52 176.05 2jly h GLU 490 N 0.02 0.59 -0.79 6.66 5.08 -1.26 0.25 114.58 125.12 2jly h GLU 490 Ca 0.04 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2jly h GLU 490 Cb 0.49 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 2jly h GLU 490 CO 0.02 0.66 0.41 0.00 -1.00 0.00 0.00 179.01 179.10 2jly h ALA 491 N 1.38 1.24 -0.02 3.43 0.00 -1.34 -2.01 119.26 121.94 2jly h ALA 491 Ca 0.11 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.71 2jly h ALA 491 Cb 0.46 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2jly h ALA 491 CO 0.02 0.60 -0.78 -0.22 0.00 0.00 0.00 179.25 178.87 2jly h LYS 492 N 1.11 0.16 -0.64 0.00 3.11 -1.32 -1.26 116.57 117.74 2jly h LYS 492 Ca 0.28 -0.16 -0.02 0.00 -2.81 0.00 0.00 60.65 57.94 2jly h LYS 492 Cb 0.06 0.04 -0.03 0.00 -1.00 0.00 0.00 32.23 31.30 2jly h LYS 492 CO -0.04 0.86 0.33 0.52 -2.81 0.00 0.00 179.45 178.32 2jly h MET 493 N 0.10 0.89 0.08 1.90 2.86 -0.64 -1.48 114.93 118.65 2jly h MET 493 Ca -0.03 -0.10 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2jly h MET 493 Cb 1.37 -0.18 0.00 0.00 0.06 0.00 0.00 31.60 32.85 2jly h MET 493 CO 0.12 0.67 -0.04 -0.07 1.06 0.00 0.00 176.91 178.65 2jly h LEU 494 N 0.90 -0.09 -1.86 1.22 3.38 -1.28 -3.36 115.31 114.21 2jly h LEU 494 Ca 0.23 -0.51 -0.02 0.00 0.09 0.00 0.00 57.88 57.66 2jly h LEU 494 Cb 0.05 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.82 2jly h LEU 494 CO -0.03 0.58 -0.11 0.25 0.09 0.00 0.00 178.44 179.22 2jly h LEU 495 N -0.87 0.00 -0.43 1.67 5.85 -1.21 -0.53 115.31 119.78 2jly h LEU 495 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2jly h LEU 495 Cb 0.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.63 2jly h LEU 495 CO 0.02 0.11 0.00 0.47 -0.34 0.00 0.00 178.44 178.69 2jly n ASP 496 N -4.24 0.36 -0.27 1.25 8.00 -0.56 -2.71 116.55 118.38 2jly n ASP 496 Ca -0.03 0.60 0.02 0.00 0.71 0.00 0.00 54.79 56.10 2jly n ASP 496 Cb 0.18 -0.67 0.06 0.00 -0.02 0.00 0.00 41.12 40.68 2jly n ASP 496 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2jly n ASN 497 N -1.90 2.32 -4.76 -2.24 3.02 -0.22 -4.38 115.26 107.10 2jly n ASN 497 Ca 0.02 -1.93 -0.36 0.00 -0.03 0.00 0.00 54.58 52.28 2jly n ASN 497 Cb 0.18 -0.09 -0.08 0.00 -0.61 0.00 0.00 39.78 39.18 2jly n ASN 497 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2jly s ILE 498 N -0.95 4.90 0.06 2.41 1.01 -1.10 -4.86 121.20 122.67 2jly s ILE 498 Ca 0.10 -0.02 0.07 0.00 0.00 0.00 0.00 60.65 60.80 2jly s ILE 498 Cb 0.05 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.37 2jly s ILE 498 CO 0.07 0.59 -0.20 -0.31 0.00 0.00 0.00 174.94 175.08 2jly s TYR 499 N -0.73 1.74 0.37 3.97 1.51 -1.26 -4.12 117.35 118.83 2jly s TYR 499 Ca 0.12 -0.38 -0.17 0.00 -1.01 0.00 0.00 57.07 55.63 2jly s TYR 499 Cb -0.12 -1.02 -0.10 0.00 -0.11 0.00 0.00 41.96 40.62 2jly s TYR 499 CO 0.03 0.11 0.83 0.99 -1.11 0.00 0.00 175.55 176.39 2jly s THR 500 N -0.89 4.56 0.56 -0.71 2.01 0.77 -4.93 115.64 117.01 2jly s THR 500 Ca 0.06 1.17 0.25 0.00 0.31 0.00 0.00 61.69 63.49 2jly s THR 500 Cb -0.09 -3.61 0.35 0.00 0.01 0.00 0.00 72.50 69.16 2jly s THR 500 CO 0.02 -0.25 2.10 1.55 -0.69 0.00 0.00 174.62 177.35 2jly h PRO 501 N 2.09 0.00 -0.15 4.92 0.13 -2.00 0.41 132.00 137.41 2jly h PRO 501 Ca -0.48 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 2jly h PRO 501 Cb 1.18 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 2jly h PRO 501 CO 0.63 0.00 -0.43 0.93 -0.23 0.00 0.00 178.00 178.90 2jly h GLU 502 N 0.00 0.35 0.00 0.86 3.07 -2.06 -3.47 114.58 113.33 2jly h GLU 502 Ca 0.10 -0.18 0.00 0.00 -0.50 0.00 0.00 59.36 58.78 2jly h GLU 502 Cb 0.47 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 2jly h GLU 502 CO -0.00 0.72 0.00 0.41 -1.40 0.00 0.00 179.01 178.74 2jly n GLY 503 N -0.07 0.16 3.69 -3.84 0.00 0.15 -5.12 105.19 100.16 2jly n GLY 503 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 2jly n GLY 503 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jly s ILE 504 N -1.13 5.01 -0.06 -0.61 1.01 -1.24 -4.68 121.20 119.50 2jly s ILE 504 Ca 0.00 1.38 -0.30 0.00 0.00 0.00 0.00 60.65 61.73 2jly s ILE 504 Cb 0.00 -4.02 -0.03 0.00 0.01 0.00 0.00 42.46 38.42 2jly s ILE 504 CO 0.00 0.17 1.22 -0.63 0.00 0.00 0.00 174.94 175.70 2jly s ILE 505 N 1.40 4.21 0.72 2.92 1.01 -1.26 -0.16 121.20 130.03 2jly s ILE 505 Ca 0.34 1.53 -0.13 0.00 0.00 0.00 0.00 60.65 62.40 2jly s ILE 505 Cb -0.17 -3.98 0.03 0.00 0.01 0.00 0.00 42.46 38.35 2jly s ILE 505 CO 0.14 -0.01 1.10 -2.84 0.00 0.00 0.00 174.94 173.34 2jly s PRO 506 N 2.32 2.47 0.14 2.79 0.02 -1.26 -4.99 135.00 136.49 2jly s PRO 506 Ca 0.57 1.30 0.06 0.00 0.02 0.00 0.00 61.00 62.94 2jly s PRO 506 Cb -0.25 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.31 2jly s PRO 506 CO 0.22 -1.49 0.02 0.95 -0.33 0.00 0.00 177.00 176.36 2jly s THR 507 N -2.61 3.95 0.46 0.99 -4.23 -1.26 -4.80 115.64 108.14 2jly s THR 507 Ca 0.64 -1.19 -0.23 0.00 -1.18 0.00 0.00 61.69 59.73 2jly s THR 507 Cb -0.19 -2.95 -0.09 0.00 1.34 0.00 0.00 72.50 70.61 2jly s THR 507 CO 0.49 -0.01 1.07 0.18 -0.54 0.00 0.00 174.62 175.80 2jly n LEU 508 N 0.14 3.22 -4.59 4.79 4.77 -1.26 -4.43 117.00 119.63 2jly n LEU 508 Ca -0.10 1.00 -0.50 0.00 -0.03 0.00 0.00 56.01 56.38 2jly n LEU 508 Cb 0.54 -1.40 -0.05 0.00 -2.33 0.00 0.00 43.42 40.18 2jly n LEU 508 CO 0.39 -1.35 0.84 0.33 -1.33 0.00 0.00 177.39 176.27 2jly n PHE 509 N -0.70 1.48 -0.03 -1.77 7.35 -1.26 -4.75 117.46 117.79 2jly n PHE 509 Ca 0.10 0.63 -0.01 0.00 -0.76 0.00 0.00 57.45 57.40 2jly n PHE 509 Cb 0.41 -2.32 -0.01 0.00 0.35 0.00 0.00 39.48 37.91 2jly n PHE 509 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 2jly n GLY 510 N 2.31 -1.32 0.22 7.13 0.00 -1.26 -0.30 105.19 111.98 2jly n GLY 510 Ca 0.16 0.30 0.12 0.00 0.00 0.00 0.00 46.02 46.61 2jly n GLY 510 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2jly h PRO 511 N 0.00 0.00 -0.44 1.61 0.11 -1.99 -2.52 132.00 128.77 2jly h PRO 511 Ca 0.01 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.12 2jly h PRO 511 Cb 0.03 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.14 2jly h PRO 511 CO -0.07 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.11 2jly n GLU 512 N -2.43 3.13 -3.02 1.05 1.02 0.59 -4.97 120.64 116.01 2jly n GLU 512 Ca -0.02 -2.52 -0.34 0.00 -0.02 0.00 0.00 57.16 54.26 2jly n GLU 512 Cb 0.20 -1.61 -0.06 0.00 -0.02 0.00 0.00 31.44 29.95 2jly n GLU 512 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 2jly s ARG 513 N -1.66 4.20 -1.51 3.49 0.52 -0.95 -4.19 118.95 118.85 2jly s ARG 513 Ca 0.38 0.90 -0.06 0.00 -0.52 0.00 0.00 55.73 56.43 2jly s ARG 513 Cb 0.24 -2.56 0.02 0.00 0.52 0.00 0.00 34.95 33.17 2jly s ARG 513 CO 0.18 0.20 0.61 0.39 0.02 0.00 0.00 175.30 176.71 2jly n GLU 514 N 0.02 -4.75 0.15 3.54 -0.58 -1.26 -4.86 120.64 112.88 2jly n GLU 514 Ca 0.02 0.83 0.01 0.00 -0.42 0.00 0.00 57.16 57.61 2jly n GLU 514 Cb 0.52 -5.68 0.17 0.00 -0.57 0.00 0.00 31.44 25.89 2jly n GLU 514 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2jly h LYS 515 N -1.37 0.00 -4.03 3.49 1.79 -1.94 -3.45 116.57 111.06 2jly h LYS 515 Ca -0.52 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 57.85 2jly h LYS 515 Cb 1.35 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.85 2jly h LYS 515 CO 0.56 0.56 -0.55 -0.08 -1.08 0.00 0.00 179.45 178.87 2jly s THR 516 N -3.37 0.18 -0.58 -0.16 -1.32 -1.26 -4.76 115.64 104.37 2jly s THR 516 Ca 0.00 -1.49 -0.26 0.00 -1.21 0.00 0.00 61.69 58.73 2jly s THR 516 Cb 0.11 -1.37 -0.05 0.00 -1.51 0.00 0.00 72.50 69.68 2jly s THR 516 CO 0.74 -0.82 2.16 -1.10 -2.21 0.00 0.00 174.62 173.38 2jly s GLN 517 N -3.73 2.31 0.00 7.08 1.11 -1.26 -4.92 119.66 120.25 2jly s GLN 517 Ca 0.05 0.95 0.00 0.00 0.01 0.00 0.00 55.36 56.36 2jly s GLN 517 Cb 0.06 -4.53 0.00 0.00 -1.01 0.00 0.00 33.01 27.52 2jly s GLN 517 CO -0.10 -3.11 0.00 0.00 0.01 0.00 0.00 175.29 172.09 2jly n ALA 518 N 14.64 0.00 -1.95 6.09 0.00 -1.26 -5.02 120.51 133.00 2jly n ALA 518 Ca 0.30 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.45 2jly n ALA 518 Cb 0.53 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.01 2jly n ALA 518 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 2jly s ILE 519 N 0.00 3.83 0.39 0.00 -0.00 -1.26 -4.89 121.20 119.27 2jly s ILE 519 Ca 0.00 0.42 -0.24 0.00 -0.00 0.00 0.00 60.65 60.83 2jly s ILE 519 Cb 0.00 -3.56 -0.09 0.00 -0.00 0.00 0.00 42.46 38.80 2jly s ILE 519 CO 0.00 -0.69 1.04 -1.81 -0.00 0.00 0.00 174.94 173.47 2jly s ASP 520 N -4.30 6.82 -1.12 4.36 1.01 -1.26 -2.80 116.67 119.38 2jly s ASP 520 Ca 0.56 2.02 0.00 0.00 0.71 0.00 0.00 52.55 55.84 2jly s ASP 520 Cb -0.11 -2.58 0.00 0.00 1.01 0.00 0.00 42.92 41.24 2jly s ASP 520 CO 0.50 -0.44 0.00 0.61 0.21 0.00 0.00 175.17 176.05 2jly n GLY 521 N 0.35 1.17 0.18 0.21 0.00 -1.26 -4.90 105.19 100.94 2jly n GLY 521 Ca 0.05 -0.41 0.04 0.00 0.00 0.00 0.00 46.02 45.70 2jly n GLY 521 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2jly h GLU 522 N 0.05 0.00 -0.44 1.61 4.81 -1.87 -3.17 114.58 115.58 2jly h GLU 522 Ca -0.22 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.01 2jly h GLU 522 Cb 0.76 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.14 2jly h GLU 522 CO 0.32 0.41 0.00 1.19 -0.73 0.00 0.00 179.01 180.20 2jly n PHE 523 N -3.62 0.86 -1.67 0.92 3.72 -1.26 -4.99 117.46 111.42 2jly n PHE 523 Ca -0.01 -0.61 -0.43 0.00 -0.05 0.00 0.00 57.45 56.36 2jly n PHE 523 Cb 0.51 -0.14 -0.03 0.00 -0.94 0.00 0.00 39.48 38.88 2jly n PHE 523 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2jly n ARG 524 N 0.56 2.80 -4.20 -1.08 5.12 -1.20 -4.70 116.66 113.96 2jly n ARG 524 Ca 0.18 1.02 -0.30 0.00 -1.93 0.00 0.00 57.85 56.82 2jly n ARG 524 Cb 0.66 -2.95 -0.09 0.00 -1.16 0.00 0.00 32.46 28.92 2jly n ARG 524 CO 0.00 0.00 0.00 -0.51 -1.93 0.00 0.00 177.63 175.19 2jly s LEU 525 N 3.87 3.35 0.19 0.55 1.43 -1.26 -5.09 118.68 121.72 2jly s LEU 525 Ca 0.87 -0.20 0.03 0.00 -1.03 0.00 0.00 54.13 53.80 2jly s LEU 525 Cb -0.47 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 43.65 2jly s LEU 525 CO 0.41 0.20 0.34 -0.13 0.23 0.00 0.00 176.35 177.39 2jly s ARG 526 N -2.12 3.46 0.00 1.70 3.00 -1.26 -4.63 118.95 119.10 2jly s ARG 526 Ca 0.23 -0.59 0.00 0.00 0.00 0.00 0.00 55.73 55.38 2jly s ARG 526 Cb -0.11 -2.91 0.00 0.00 0.00 0.00 0.00 34.95 31.93 2jly s ARG 526 CO 0.15 0.46 0.00 0.41 0.00 0.00 0.00 175.30 176.32 2jly n GLY 527 N -0.87 0.70 0.25 -3.53 0.00 -1.26 -0.53 105.19 99.96 2jly n GLY 527 Ca -0.07 0.22 0.13 0.00 0.00 0.00 0.00 46.02 46.31 2jly n GLY 527 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 2jly h GLU 528 N 0.00 0.00 -0.32 1.61 4.11 -2.00 -3.13 114.58 114.85 2jly h GLU 528 Ca 0.00 0.00 -0.13 0.00 0.07 0.00 0.00 59.36 59.30 2jly h GLU 528 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2jly h GLU 528 CO 0.00 0.13 -0.34 1.96 0.07 0.00 0.00 179.01 180.83 2jly h GLN 529 N 0.00 0.71 -0.46 1.06 4.20 -1.10 -0.75 115.11 118.76 2jly h GLN 529 Ca -0.00 -0.33 -0.13 0.00 0.06 0.00 0.00 58.65 58.24 2jly h GLN 529 Cb 0.56 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 2jly h GLN 529 CO 0.02 0.94 -0.23 -0.09 -0.67 0.00 0.00 178.83 178.79 2jly h ARG 530 N 0.59 0.96 -0.56 1.46 2.43 -1.44 0.06 114.38 117.89 2jly h ARG 530 Ca 0.06 -0.42 -0.07 0.00 -0.81 0.00 0.00 59.98 58.74 2jly h ARG 530 Cb 0.86 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 30.36 2jly h ARG 530 CO 0.07 1.09 0.08 -0.22 -1.51 0.00 0.00 179.97 179.48 2jly h LYS 531 N 0.83 0.94 -0.29 0.20 3.64 -1.60 -2.22 116.57 118.08 2jly h LYS 531 Ca 0.10 -0.26 -0.03 0.00 -1.27 0.00 0.00 60.65 59.20 2jly h LYS 531 Cb 0.81 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.51 2jly h LYS 531 CO 0.07 0.91 0.07 1.15 -2.27 0.00 0.00 179.45 179.38 2jly h THR 532 N 0.83 1.21 -0.50 1.00 2.02 -1.03 -1.22 112.91 115.22 2jly h THR 532 Ca 0.17 -0.70 0.10 0.00 0.77 0.00 0.00 66.41 66.75 2jly h THR 532 Cb 0.43 1.13 -0.10 0.00 -1.74 0.00 0.00 68.15 67.87 2jly h THR 532 CO 0.01 0.23 -0.23 0.15 0.37 0.00 0.00 175.52 176.06 2jly h PHE 533 N 0.30 -0.58 -0.39 3.16 3.57 -0.89 0.17 116.94 122.28 2jly h PHE 533 Ca 0.09 0.06 -0.07 0.00 3.53 0.00 0.00 57.97 61.58 2jly h PHE 533 Cb 0.28 0.33 -0.01 0.00 2.79 0.00 0.00 35.95 39.33 2jly h PHE 533 CO 0.01 -0.31 -0.03 0.28 -2.23 0.00 0.00 178.31 176.03 2jly h VAL 534 N -0.11 1.27 -0.88 1.41 2.07 -1.30 -3.00 116.25 115.70 2jly h VAL 534 Ca 0.23 -1.06 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 2jly h VAL 534 Cb 0.48 1.17 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 2jly h VAL 534 CO -0.57 0.36 0.50 -0.08 0.02 0.00 0.00 177.57 177.79 2jly h GLU 535 N 0.53 1.21 0.00 1.57 4.81 -0.69 0.06 114.58 122.07 2jly h GLU 535 Ca 0.11 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.16 2jly h GLU 535 Cb 0.52 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 29.65 2jly h GLU 535 CO 0.03 0.87 -0.23 -0.07 -0.73 0.00 0.00 179.01 178.87 2jly h LEU 536 N 1.21 0.00 0.02 1.64 3.38 -0.60 0.13 115.31 121.09 2jly h LEU 536 Ca 0.31 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.21 2jly h LEU 536 Cb -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.74 2jly h LEU 536 CO -0.05 0.23 -0.34 0.24 0.09 0.00 0.00 178.44 178.61 2jly h MET 537 N 0.00 0.04 0.16 1.13 2.86 -1.28 -2.22 114.93 115.63 2jly h MET 537 Ca -0.00 -0.08 -0.27 0.00 -2.06 0.00 0.00 59.70 57.30 2jly h MET 537 Cb 0.42 0.03 0.03 0.00 0.06 0.00 0.00 31.60 32.13 2jly h MET 537 CO 0.03 1.04 -1.14 0.00 1.06 0.00 0.00 176.91 177.90 2jly h ARG 538 N -0.90 0.49 0.04 1.72 -0.00 -0.97 -2.82 114.38 111.95 2jly h ARG 538 Ca -0.08 -0.74 -0.37 0.00 -0.50 0.00 0.00 59.98 58.29 2jly h ARG 538 Cb 1.15 0.26 -0.05 0.00 0.00 0.00 0.00 29.97 31.33 2jly h ARG 538 CO -0.01 1.34 -2.24 0.54 0.00 0.00 0.00 179.97 179.60 2jly n ARG 539 N -3.90 0.69 0.18 0.04 1.74 0.41 -4.42 116.66 111.40 2jly n ARG 539 Ca -0.14 0.18 0.12 0.00 -0.77 0.00 0.00 57.85 57.24 2jly n ARG 539 Cb 0.95 -1.61 0.16 0.00 -1.02 0.00 0.00 32.46 30.94 2jly n ARG 539 CO 0.00 0.00 0.00 0.78 -1.52 0.00 0.00 177.63 176.89 2jly h GLY 540 N 2.10 0.00 -2.90 -0.13 0.00 -1.28 -3.48 103.07 97.38 2jly h GLY 540 Ca -0.50 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.49 2jly h GLY 540 CO 0.00 0.00 -0.47 1.22 0.00 0.00 0.00 176.54 177.29 2jly n ASP 541 N -2.89 -5.20 -4.90 0.19 10.43 -1.02 -4.95 116.55 108.20 2jly n ASP 541 Ca 0.03 -0.09 -0.32 0.00 2.57 0.00 0.00 54.79 56.99 2jly n ASP 541 Cb 0.52 -4.21 -0.05 0.00 1.84 0.00 0.00 41.12 39.22 2jly n ASP 541 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2jly s LEU 542 N -5.22 4.31 1.07 0.64 1.43 -0.87 -5.01 118.68 115.04 2jly s LEU 542 Ca 0.08 0.51 -0.12 0.00 -1.03 0.00 0.00 54.13 53.58 2jly s LEU 542 Cb -0.04 -3.10 0.23 0.00 0.03 0.00 0.00 46.19 43.31 2jly s LEU 542 CO 0.10 0.12 1.07 -2.65 0.23 0.00 0.00 176.35 175.22 2jly n PRO 543 N 0.35 -1.65 -0.20 1.29 -0.02 -1.26 -4.35 135.00 129.16 2jly n PRO 543 Ca -0.05 -0.43 -0.08 0.00 -2.02 0.00 0.00 63.50 60.92 2jly n PRO 543 Cb 0.52 -2.25 0.02 0.00 -0.02 0.00 0.00 33.50 31.76 2jly n PRO 543 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2jly h VAL 544 N -2.37 1.22 -0.16 -1.45 2.07 -1.98 -1.75 116.25 111.83 2jly h VAL 544 Ca -0.54 -0.69 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 2jly h VAL 544 Cb 1.31 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 2jly h VAL 544 CO 0.46 0.26 0.07 -0.25 0.02 0.00 0.00 177.57 178.13 2jly h TRP 545 N 0.76 0.23 -0.35 1.57 7.01 -1.94 -0.96 115.95 122.27 2jly h TRP 545 Ca 0.18 -0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.14 2jly h TRP 545 Cb 0.20 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 27.17 2jly h TRP 545 CO 0.01 0.28 0.09 1.25 -2.79 0.00 0.00 178.44 177.27 2jly h LEU 546 N 0.12 0.54 -0.91 0.65 5.85 -1.91 -1.93 115.31 117.71 2jly h LEU 546 Ca 0.05 -0.23 0.03 0.00 0.84 0.00 0.00 57.88 58.57 2jly h LEU 546 Cb 0.14 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.97 2jly h LEU 546 CO -0.01 0.63 0.59 0.28 -0.34 0.00 0.00 178.44 179.60 2jly h SER 547 N 0.42 0.99 -0.33 1.25 0.02 -1.25 -1.78 113.55 112.88 2jly h SER 547 Ca 0.11 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2jly h SER 547 Cb 0.30 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.60 2jly h SER 547 CO 0.00 0.68 0.15 0.22 -1.14 0.00 0.00 176.83 176.75 2jly h TYR 548 N 1.16 0.48 -0.73 3.45 3.20 -0.95 -0.83 116.97 122.75 2jly h TYR 548 Ca 0.36 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 62.17 2jly h TYR 548 Cb -0.01 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.07 2jly h TYR 548 CO -0.01 0.43 0.34 0.87 -1.64 0.00 0.00 178.16 178.15 2jly h LYS 549 N 0.40 1.06 0.01 1.82 1.79 -1.05 -0.15 116.57 120.45 2jly h LYS 549 Ca 0.11 -0.16 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2jly h LYS 549 Cb 0.13 -0.19 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 2jly h LYS 549 CO -0.01 0.84 -0.00 0.28 -1.08 0.00 0.00 179.45 179.47 2jly h VAL 550 N 1.03 1.38 -0.71 0.50 2.07 -1.28 -3.01 116.25 116.23 2jly h VAL 550 Ca 0.25 -1.17 0.01 0.00 0.82 0.00 0.00 66.70 66.61 2jly h VAL 550 Cb 0.13 2.17 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 2jly h VAL 550 CO -0.03 0.30 0.46 0.00 0.02 0.00 0.00 177.57 178.32 2jly h ALA 551 N 0.48 0.90 0.00 1.67 0.00 -1.06 -2.60 119.26 118.65 2jly h ALA 551 Ca -0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 2jly h ALA 551 Cb 0.50 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2jly h ALA 551 CO 0.00 0.30 0.00 -1.13 0.00 0.00 0.00 179.25 178.42 2jly n SER 552 N -4.61 0.37 -0.30 0.00 3.41 -0.08 -2.24 113.62 110.18 2jly n SER 552 Ca 0.07 0.56 0.15 0.00 -0.26 0.00 0.00 58.87 59.38 2jly n SER 552 Cb 0.03 -0.65 0.68 0.00 -0.26 0.00 0.00 64.21 64.01 2jly n SER 552 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2jly n ALA 553 N -1.64 2.62 -0.93 7.33 0.00 -0.99 -4.92 120.51 121.98 2jly n ALA 553 Ca 0.05 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.13 2jly n ALA 553 Cb 0.30 -1.30 0.00 0.00 0.00 0.00 0.00 19.45 18.45 2jly n ALA 553 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2jly n GLY 554 N 1.11 0.44 3.77 0.00 0.00 -0.95 -5.04 105.19 104.52 2jly n GLY 554 Ca 0.21 -0.88 -0.39 0.00 0.00 0.00 0.00 46.02 44.96 2jly n GLY 554 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2jly s ILE 555 N -2.00 4.79 0.61 -0.61 1.01 -1.19 -5.07 121.20 118.74 2jly s ILE 555 Ca 0.00 1.38 -0.14 0.00 0.00 0.00 0.00 60.65 61.89 2jly s ILE 555 Cb 0.00 -3.99 -0.03 0.00 0.01 0.00 0.00 42.46 38.45 2jly s ILE 555 CO 0.00 0.44 1.05 -0.44 0.00 0.00 0.00 174.94 175.98 2jly s SER 556 N -0.39 5.82 0.39 3.58 0.01 -1.26 -4.56 113.70 117.29 2jly s SER 556 Ca 0.33 1.69 0.09 0.00 1.31 0.00 0.00 55.95 59.37 2jly s SER 556 Cb -0.19 -2.51 0.85 0.00 0.21 0.00 0.00 66.02 64.37 2jly s SER 556 CO 0.20 -1.14 1.96 0.22 0.41 0.00 0.00 173.24 174.89 2jly h TYR 557 N 0.12 0.65 -0.02 2.43 3.20 -1.97 -2.43 116.97 118.96 2jly h TYR 557 Ca -0.46 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.43 2jly h TYR 557 Cb 1.21 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 39.27 2jly h TYR 557 CO 0.61 0.33 -0.17 1.63 -1.64 0.00 0.00 178.16 178.92 2jly n LYS 558 N -4.48 1.48 -2.83 1.82 4.76 -1.26 -4.76 118.16 112.89 2jly n LYS 558 Ca 0.10 -1.04 -0.43 0.00 -2.87 0.00 0.00 58.31 54.08 2jly n LYS 558 Cb 0.28 -1.48 -0.04 0.00 -1.84 0.00 0.00 35.03 31.95 2jly n LYS 558 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 2jly s ASP 559 N -2.24 6.35 -0.11 4.39 -1.08 -0.91 -4.90 116.67 118.17 2jly s ASP 559 Ca 0.28 -0.30 0.17 0.00 -0.52 0.00 0.00 52.55 52.18 2jly s ASP 559 Cb 0.20 -2.44 0.63 0.00 -1.46 0.00 0.00 42.92 39.84 2jly s ASP 559 CO 0.43 -1.22 1.54 0.54 0.52 0.00 0.00 175.17 176.97 2jly n ARG 560 N 7.48 3.53 -0.27 4.34 5.12 -1.26 -4.52 116.66 131.07 2jly n ARG 560 Ca 0.02 -2.77 0.11 0.00 -1.93 0.00 0.00 57.85 53.28 2jly n ARG 560 Cb 0.48 -1.81 0.36 0.00 -1.16 0.00 0.00 32.46 30.33 2jly n ARG 560 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2jly h GLU 561 N 3.34 0.71 0.00 5.56 4.39 -1.94 -2.29 114.58 124.36 2jly h GLU 561 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 2jly h GLU 561 Cb 1.37 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2jly h GLU 561 CO 0.21 0.47 0.00 0.11 -1.16 0.00 0.00 179.01 178.64 2jly h TRP 562 N 0.73 0.00 0.00 4.33 5.08 -1.97 -1.75 115.95 122.37 2jly h TRP 562 Ca 0.44 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.41 2jly h TRP 562 Cb 0.64 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.80 2jly h TRP 562 CO -0.00 0.00 0.00 0.00 -1.28 0.00 0.00 178.44 177.16 2jly n PHE 564 N -1.39 0.00 -0.34 0.00 3.72 -0.67 -0.94 117.46 117.84 2jly n PHE 564 Ca 0.07 0.00 0.11 0.00 -0.05 0.00 0.00 57.45 57.58 2jly n PHE 564 Cb 0.19 0.00 0.31 0.00 -0.94 0.00 0.00 39.48 39.04 2jly n PHE 564 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 2jly n THR 565 N -0.60 0.98 -1.22 4.37 -2.24 -1.11 -4.62 114.28 109.85 2jly n THR 565 Ca 0.00 -0.99 -0.31 0.00 -2.27 0.00 0.00 64.05 60.47 2jly n THR 565 Cb 0.00 0.52 0.10 0.00 -2.10 0.00 0.00 70.33 68.85 2jly n THR 565 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2jly s GLY 566 N -1.02 1.77 0.98 3.38 0.00 0.88 -4.77 107.32 108.56 2jly s GLY 566 Ca 0.47 0.40 -0.11 0.00 0.00 0.00 0.00 44.72 45.49 2jly s GLY 566 CO 0.32 0.76 1.11 -1.84 0.00 0.00 0.00 173.10 173.46 2jly n GLU 567 N -3.48 -0.96 -0.29 2.90 0.28 -1.26 -4.84 120.64 112.99 2jly n GLU 567 Ca 0.10 -0.22 0.11 0.00 -0.16 0.00 0.00 57.16 56.99 2jly n GLU 567 Cb 0.53 -2.32 0.27 0.00 1.43 0.00 0.00 31.44 31.35 2jly n GLU 567 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 177.13 176.88 2jly h ARG 568 N -2.10 0.32 0.00 3.44 2.43 -1.97 0.17 114.38 116.66 2jly h ARG 568 Ca -0.48 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2jly h ARG 568 Cb 1.29 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.76 2jly h ARG 568 CO 0.43 0.21 0.00 -0.91 -1.51 0.00 0.00 179.97 178.19 2jly h ASN 569 N 0.33 0.00 -0.02 -3.80 2.35 -2.00 -2.80 115.58 109.63 2jly h ASN 569 Ca 0.52 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.27 2jly h ASN 569 Cb 0.99 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.36 2jly h ASN 569 CO -0.55 0.00 0.00 0.59 -1.65 0.00 0.00 177.43 175.82 2jly n ASN 570 N -2.44 0.68 -4.67 5.81 4.13 0.05 -4.88 115.26 113.92 2jly n ASN 570 Ca 0.00 -1.29 -0.44 0.00 1.68 0.00 0.00 54.58 54.53 2jly n ASN 570 Cb 0.17 -0.01 -0.04 0.00 -1.54 0.00 0.00 39.78 38.36 2jly n ASN 570 CO 0.00 0.00 0.00 1.67 0.28 0.00 0.00 177.26 179.21 2jly n GLN 571 N -0.44 2.61 -2.98 3.52 -0.06 -1.06 -3.92 117.38 115.05 2jly n GLN 571 Ca 0.20 0.96 -0.40 0.00 -2.00 0.00 0.00 57.00 55.76 2jly n GLN 571 Cb 0.21 -2.85 -0.04 0.00 -4.06 0.00 0.00 30.24 23.49 2jly n GLN 571 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 2jly s ILE 572 N 3.67 4.99 0.02 1.69 1.01 -0.26 -5.00 121.20 127.32 2jly s ILE 572 Ca 0.88 1.53 0.02 0.00 0.00 0.00 0.00 60.65 63.07 2jly s ILE 572 Cb -0.53 -4.08 -0.04 0.00 0.01 0.00 0.00 42.46 37.81 2jly s ILE 572 CO 0.43 0.18 0.04 -0.76 0.00 0.00 0.00 174.94 174.82 2jly s LEU 573 N 1.25 3.66 -0.06 2.97 1.02 -1.26 -1.40 118.68 124.86 2jly s LEU 573 Ca 0.38 0.01 -0.02 0.00 0.02 0.00 0.00 54.13 54.52 2jly s LEU 573 Cb -0.18 -2.19 0.04 0.00 0.02 0.00 0.00 46.19 43.88 2jly s LEU 573 CO 0.17 0.25 0.08 -0.70 0.02 0.00 0.00 176.35 176.17 2jly s GLU 574 N -1.84 -0.05 -1.46 1.70 2.12 0.49 -4.80 118.70 114.88 2jly s GLU 574 Ca 0.23 0.37 -0.08 0.00 0.36 0.00 0.00 54.97 55.85 2jly s GLU 574 Cb -0.12 -0.59 0.02 0.00 0.26 0.00 0.00 34.13 33.70 2jly s GLU 574 CO 0.14 -0.36 0.90 0.39 -0.54 0.00 0.00 175.26 175.80 2jly n GLU 575 N 5.30 -6.32 -0.91 4.30 -0.58 -1.26 -2.09 120.64 119.09 2jly n GLU 575 Ca -0.04 0.83 0.00 0.00 -0.42 0.00 0.00 57.16 57.53 2jly n GLU 575 Cb 0.50 -5.78 0.00 0.00 -0.57 0.00 0.00 31.44 25.59 2jly n GLU 575 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2jly n ASN 576 N -2.77 -2.61 -4.59 1.62 3.02 -1.26 -5.00 115.26 103.67 2jly n ASN 576 Ca -0.04 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.20 2jly n ASN 576 Cb 0.58 -1.56 -0.10 0.00 -0.61 0.00 0.00 39.78 38.09 2jly n ASN 576 CO 0.00 0.00 0.00 -0.04 -2.62 0.00 0.00 177.26 174.60 2jly s MET 577 N -0.72 2.40 0.00 3.52 -1.94 -0.89 -5.05 119.30 116.62 2jly s MET 577 Ca 0.00 -0.84 -0.30 0.00 -1.71 0.00 0.00 55.69 52.84 2jly s MET 577 Cb 0.00 -2.43 -0.07 0.00 2.01 0.00 0.00 34.83 34.35 2jly s MET 577 CO 0.00 0.56 1.63 -1.21 -0.01 0.00 0.00 175.02 175.99 2jly s GLU 578 N -1.75 4.20 0.01 2.03 2.02 -1.26 -0.38 118.70 123.58 2jly s GLU 578 Ca 0.19 2.23 -0.30 0.00 0.02 0.00 0.00 54.97 57.10 2jly s GLU 578 Cb -0.11 -3.79 -0.06 0.00 0.10 0.00 0.00 34.13 30.27 2jly s GLU 578 CO 0.10 -0.77 1.48 0.08 0.02 0.00 0.00 175.26 176.18 2jly s VAL 579 N 3.29 3.53 -0.04 2.63 1.01 -0.49 -4.91 120.40 125.41 2jly s VAL 579 Ca 0.73 0.91 -0.03 0.00 0.00 0.00 0.00 61.98 63.59 2jly s VAL 579 Cb -0.36 -3.59 -0.04 0.00 0.00 0.00 0.00 36.38 32.40 2jly s VAL 579 CO 0.31 -0.01 0.13 -1.61 0.00 0.00 0.00 175.10 173.92 2jly s GLU 580 N 2.58 3.30 -0.08 2.72 0.41 -1.26 -0.70 118.70 125.67 2jly s GLU 580 Ca 0.67 -0.32 0.03 0.00 -0.41 0.00 0.00 54.97 54.94 2jly s GLU 580 Cb -0.34 -3.04 -0.02 0.00 -1.78 0.00 0.00 34.13 28.96 2jly s GLU 580 CO 0.28 0.70 -0.16 0.42 -0.49 0.00 0.00 175.26 176.00 2jly s ILE 581 N -1.17 2.81 -0.29 -1.63 1.09 0.40 -4.85 121.20 117.57 2jly s ILE 581 Ca 0.22 -0.79 -0.11 0.00 -1.10 0.00 0.00 60.65 58.87 2jly s ILE 581 Cb -0.12 -2.11 -0.05 0.00 -1.06 0.00 0.00 42.46 39.12 2jly s ILE 581 CO 0.12 0.56 0.20 0.26 -0.10 0.00 0.00 174.94 175.98 2jly s TRP 582 N -0.22 3.22 0.76 3.97 0.51 -1.26 -0.33 118.94 125.59 2jly s TRP 582 Ca 0.00 0.07 -0.09 0.00 -2.12 0.00 0.00 56.10 53.96 2jly s TRP 582 Cb -0.13 -2.40 0.07 0.00 -0.81 0.00 0.00 33.47 30.21 2jly s TRP 582 CO 0.03 -0.19 1.10 0.95 -0.51 0.00 0.00 176.95 178.33 2jly s THR 583 N 1.76 2.13 0.45 2.01 -4.23 -0.13 -4.69 115.64 112.94 2jly s THR 583 Ca 0.07 -0.14 0.25 0.00 -1.18 0.00 0.00 61.69 60.69 2jly s THR 583 Cb -0.16 -3.00 0.44 0.00 1.34 0.00 0.00 72.50 71.13 2jly s THR 583 CO 0.11 0.00 1.78 0.03 -0.54 0.00 0.00 174.62 176.00 2jly h ARG 584 N -0.85 0.24 -0.44 3.99 3.08 -1.47 -1.23 114.38 117.71 2jly h ARG 584 Ca -0.45 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 59.58 2jly h ARG 584 Cb 1.32 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.31 2jly h ARG 584 CO 0.62 0.16 0.00 0.39 -1.07 0.00 0.00 179.97 180.07 2jly n GLU 585 N -4.49 2.53 -1.02 0.04 1.02 -1.26 -4.96 120.64 112.50 2jly n GLU 585 Ca 0.25 -2.34 0.00 0.00 -0.02 0.00 0.00 57.16 55.06 2jly n GLU 585 Cb 1.01 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.91 2jly n GLU 585 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2jly n GLY 586 N 1.50 0.55 3.79 0.62 0.00 -0.46 -5.06 105.19 106.13 2jly n GLY 586 Ca 0.20 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 45.00 2jly n GLY 586 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2jly s GLU 587 N -2.09 4.49 -0.32 1.61 2.02 -1.26 -4.83 118.70 118.32 2jly s GLU 587 Ca 0.00 1.13 -0.09 0.00 0.02 0.00 0.00 54.97 56.02 2jly s GLU 587 Cb 0.00 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.21 2jly s GLU 587 CO 0.00 0.44 0.14 0.21 0.02 0.00 0.00 175.26 176.07 2jly s LYS 588 N -1.66 3.21 0.03 1.61 2.20 -1.26 -0.96 119.74 122.92 2jly s LYS 588 Ca 0.42 -0.80 0.03 0.00 -0.36 0.00 0.00 55.97 55.26 2jly s LYS 588 Cb -0.20 -3.54 -0.02 0.00 -1.51 0.00 0.00 37.83 32.56 2jly s LYS 588 CO 0.24 -0.46 -0.09 0.15 -0.36 0.00 0.00 175.35 174.83 2jly s LYS 589 N 1.58 0.63 0.10 4.03 1.02 0.55 -4.94 119.74 122.71 2jly s LYS 589 Ca 0.04 -0.66 -0.30 0.00 0.02 0.00 0.00 55.97 55.07 2jly s LYS 589 Cb -0.17 -0.52 -0.06 0.00 -0.52 0.00 0.00 37.83 36.56 2jly s LYS 589 CO 0.05 0.12 1.04 0.15 -0.92 0.00 0.00 175.35 175.79 2jly s LYS 590 N -1.19 4.60 -0.47 1.68 1.02 -1.26 0.15 119.74 124.27 2jly s LYS 590 Ca -0.04 1.57 -0.27 0.00 0.02 0.00 0.00 55.97 57.24 2jly s LYS 590 Cb -0.08 -3.36 -0.02 0.00 -0.52 0.00 0.00 37.83 33.85 2jly s LYS 590 CO 0.01 0.05 1.82 -1.17 -0.92 0.00 0.00 175.35 175.13 2jly s LEU 591 N 0.29 3.41 -0.43 3.17 2.96 0.12 -4.60 118.68 123.60 2jly s LEU 591 Ca 0.51 0.81 0.06 0.00 -0.22 0.00 0.00 54.13 55.28 2jly s LEU 591 Cb -0.25 -3.02 0.20 0.00 0.50 0.00 0.00 46.19 43.62 2jly s LEU 591 CO 0.31 -2.04 0.50 -1.14 -1.32 0.00 0.00 176.35 172.66 2jly n ARG 592 N 8.78 0.45 -1.86 1.98 0.63 -0.11 -1.10 116.66 125.42 2jly n ARG 592 Ca 0.22 -2.87 -0.33 0.00 -0.92 0.00 0.00 57.85 53.94 2jly n ARG 592 Cb 0.50 -1.49 0.04 0.00 0.45 0.00 0.00 32.46 31.96 2jly n ARG 592 CO 0.00 0.00 0.00 -1.25 -2.51 0.00 0.00 177.63 173.87 2jly s PRO 593 N -0.11 2.93 0.26 -0.14 0.04 -1.05 -0.08 135.00 136.85 2jly s PRO 593 Ca 0.33 1.42 0.02 0.00 0.04 0.00 0.00 61.00 62.81 2jly s PRO 593 Cb 0.09 -1.96 0.35 0.00 0.04 0.00 0.00 34.50 33.01 2jly s PRO 593 CO -0.16 -1.15 1.66 -0.22 0.04 0.00 0.00 177.00 177.17 2jly h LYS 594 N 0.26 0.44 -5.77 4.56 3.64 -0.84 -3.34 116.57 115.53 2jly h LYS 594 Ca -0.47 -0.20 -0.69 0.00 -1.27 0.00 0.00 60.65 58.02 2jly h LYS 594 Cb 1.25 -0.01 -0.32 0.00 -0.41 0.00 0.00 32.23 32.74 2jly h LYS 594 CO 0.55 0.74 -0.88 -1.58 -2.27 0.00 0.00 179.45 176.01 2jly s TRP 595 N -4.30 2.50 -0.23 1.91 0.51 -1.26 -4.80 118.94 113.26 2jly s TRP 595 Ca -0.06 -0.82 -0.10 0.00 -2.12 0.00 0.00 56.10 53.00 2jly s TRP 595 Cb 0.13 -1.65 -0.05 0.00 -0.81 0.00 0.00 33.47 31.10 2jly s TRP 595 CO 0.80 -0.28 0.14 -0.51 -0.51 0.00 0.00 176.95 176.58 2jly s LEU 596 N 0.01 3.97 -0.19 2.99 1.43 -1.26 -5.06 118.68 120.58 2jly s LEU 596 Ca -0.09 0.06 -0.02 0.00 -1.03 0.00 0.00 54.13 53.05 2jly s LEU 596 Cb -0.15 -2.06 0.06 0.00 0.03 0.00 0.00 46.19 44.06 2jly s LEU 596 CO 0.06 0.06 0.00 -0.62 0.23 0.00 0.00 176.35 176.08 2jly s ASP 597 N 1.07 3.06 0.64 2.29 3.68 -1.26 -0.85 116.67 125.31 2jly s ASP 597 Ca 0.07 -0.85 0.37 0.00 2.13 0.00 0.00 52.55 54.27 2jly s ASP 597 Cb -0.14 -0.77 2.09 0.00 -1.45 0.00 0.00 42.92 42.65 2jly s ASP 597 CO 0.04 -0.27 2.24 0.00 0.13 0.00 0.00 175.17 177.31 2jly h ALA 598 N 8.16 1.27 0.00 3.66 0.00 -1.43 -1.40 119.26 129.52 2jly h ALA 598 Ca -0.18 -0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.69 2jly h ALA 598 Cb 1.11 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2jly h ALA 598 CO 0.36 -0.10 -0.19 0.00 0.00 0.00 0.00 179.25 179.32 2jly h ARG 599 N 0.00 0.00 -0.01 0.00 3.08 -1.91 0.34 114.38 115.87 2jly h ARG 599 Ca 0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.06 2jly h ARG 599 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 2jly h ARG 599 CO -0.00 0.19 -0.13 1.33 -1.07 0.00 0.00 179.97 180.29 2jly n VAL 600 N -4.16 0.00 0.00 2.04 0.24 -0.53 -4.51 118.33 111.42 2jly n VAL 600 Ca -0.02 -0.16 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 2jly n VAL 600 Cb 0.26 0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.95 2jly n VAL 600 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2jly n TYR 601 N -0.42 0.00 0.52 6.34 4.11 -0.91 -3.13 117.16 123.67 2jly n TYR 601 Ca 0.15 0.00 -0.21 0.00 -0.00 0.00 0.00 57.90 57.85 2jly n TYR 601 Cb 0.33 0.00 -0.10 0.00 -0.00 0.00 0.00 39.34 39.57 2jly n TYR 601 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.86 176.86 2jly h ALA 602 N 0.00 -1.32 -2.58 -3.48 0.00 -0.58 -3.42 119.26 107.88 2jly h ALA 602 Ca 0.00 -0.29 -0.52 0.00 0.00 0.00 0.00 54.91 54.10 2jly h ALA 602 Cb 0.00 0.52 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 2jly h ALA 602 CO 0.00 -1.24 0.45 0.34 0.00 0.00 0.00 179.25 178.79 2jly s ASP 603 N -4.04 7.31 0.43 0.00 2.15 -1.26 -4.96 116.67 116.30 2jly s ASP 603 Ca -0.20 1.95 0.11 0.00 0.43 0.00 0.00 52.55 54.85 2jly s ASP 603 Cb 0.02 -2.59 0.98 0.00 -0.30 0.00 0.00 42.92 41.03 2jly s ASP 603 CO 0.60 -0.22 2.02 1.55 -0.17 0.00 0.00 175.17 178.95 2jly h PRO 604 N 5.67 0.43 -0.33 4.34 0.13 -1.98 -0.65 132.00 139.60 2jly h PRO 604 Ca -0.43 -0.03 -0.15 0.00 -0.87 0.00 0.00 66.00 64.53 2jly h PRO 604 Cb 1.21 -0.10 -0.00 0.00 0.13 0.00 0.00 31.00 32.24 2jly h PRO 604 CO 0.74 0.29 -0.36 0.52 -0.23 0.00 0.00 178.00 178.96 2jly h MET 605 N 0.45 0.83 -0.74 0.86 2.86 -1.95 -1.69 114.93 115.56 2jly h MET 605 Ca 0.22 -0.45 -0.01 0.00 -2.06 0.00 0.00 59.70 57.40 2jly h MET 605 Cb 0.30 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 2jly h MET 605 CO -0.06 1.09 0.40 0.00 1.06 0.00 0.00 176.91 179.40 2jly h ALA 606 N 0.73 0.94 -0.60 6.32 0.00 -1.76 -2.86 119.26 122.03 2jly h ALA 606 Ca 0.05 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 2jly h ALA 606 Cb 0.95 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 2jly h ALA 606 CO 0.09 0.46 0.14 1.25 0.00 0.00 0.00 179.25 181.19 2jly h LEU 607 N 1.02 0.89 -0.70 0.00 5.85 -1.01 -1.81 115.31 119.55 2jly h LEU 607 Ca 0.26 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 2jly h LEU 607 Cb 0.04 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 2jly h LEU 607 CO -0.04 0.87 0.43 0.11 -0.34 0.00 0.00 178.44 179.46 2jly h LYS 608 N 0.90 0.94 -0.72 1.25 1.79 -1.18 0.12 116.57 119.68 2jly h LYS 608 Ca 0.19 -0.08 -0.05 0.00 -2.18 0.00 0.00 60.65 58.53 2jly h LYS 608 Cb 0.33 -0.20 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 2jly h LYS 608 CO 0.00 0.66 0.24 -0.44 -1.08 0.00 0.00 179.45 178.84 2jly h ASP 609 N 0.95 1.03 0.61 0.86 3.32 -1.27 -1.17 116.42 120.74 2jly h ASP 609 Ca 0.25 -0.20 -0.08 0.00 0.02 0.00 0.00 57.03 57.03 2jly h ASP 609 Cb -0.04 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 2jly h ASP 609 CO -0.05 0.95 -0.36 0.15 -1.72 0.00 0.00 179.24 178.21 2jly h PHE 610 N 1.05 0.00 -0.17 4.55 3.57 -0.95 -0.92 116.94 124.07 2jly h PHE 610 Ca 0.23 0.00 -0.17 0.00 3.53 0.00 0.00 57.97 61.56 2jly h PHE 610 Cb 0.28 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.02 2jly h PHE 610 CO 0.02 0.36 -0.59 0.87 -2.23 0.00 0.00 178.31 176.74 2jly h LYS 611 N 0.00 0.57 -0.49 1.11 1.57 -0.32 -0.69 116.57 118.32 2jly h LYS 611 Ca -0.00 -0.38 -0.10 0.00 -1.87 0.00 0.00 60.65 58.30 2jly h LYS 611 Cb 0.76 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.11 2jly h LYS 611 CO 0.05 0.99 -0.09 0.93 -0.57 0.00 0.00 179.45 180.76 2jly h GLU 612 N 0.43 0.89 0.01 3.15 5.08 -0.90 -2.03 114.58 121.21 2jly h GLU 612 Ca -0.00 -0.30 -0.00 0.00 -1.00 0.00 0.00 59.36 58.06 2jly h GLU 612 Cb 1.15 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2jly h GLU 612 CO 0.11 0.94 -0.00 0.35 -1.00 0.00 0.00 179.01 179.40 2jly h PHE 613 N 0.80 -0.01 0.00 4.33 3.57 -1.05 -1.87 116.94 122.71 2jly h PHE 613 Ca 0.13 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 2jly h PHE 613 Cb 0.60 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 39.34 2jly h PHE 613 CO 0.04 0.13 -0.07 0.00 -2.23 0.00 0.00 178.31 176.18 2jly h ALA 614 N 0.83 1.59 0.00 2.41 0.00 -1.08 -1.98 119.26 121.04 2jly h ALA 614 Ca -0.00 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2jly h ALA 614 Cb 0.15 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2jly h ALA 614 CO 0.00 0.08 -0.27 0.77 0.00 0.00 0.00 179.25 179.83 2jly h SER 615 N 0.00 0.00 0.00 0.00 0.02 -1.23 -3.47 113.55 108.87 2jly h SER 615 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2jly h SER 615 Cb 0.14 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.68 2jly h SER 615 CO 0.01 0.27 0.00 0.61 -1.14 0.00 0.00 176.83 176.58 2jly n GLY 616 N -0.04 0.78 1.29 -3.77 0.00 -0.74 -1.13 105.19 101.58 2jly n GLY 616 Ca -0.01 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.84 2jly n GLY 616 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2jly n ARG 617 N -2.38 2.68 0.00 1.61 1.74 -0.71 -4.93 116.66 114.66 2jly n ARG 617 Ca 0.00 -2.56 0.00 0.00 -0.77 0.00 0.00 57.85 54.52 2jly n ARG 617 Cb 0.00 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 29.89 2jly n ARG 617 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74