#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 0.80 1.61 1.04 -1.26 -3.67 113.70 112.21 2jly s SER 169 Ca 0.00 -0.83 -0.10 0.00 0.48 0.00 0.00 55.95 55.50 2jly s SER 169 Cb 0.00 0.47 0.10 0.00 0.10 0.00 0.00 66.02 66.69 2jly s SER 169 CO 0.00 -0.94 1.15 0.00 0.98 0.00 0.00 173.24 174.43 2jly s ALA 170 N -3.96 2.78 0.49 5.32 0.00 -1.26 -4.98 121.76 120.16 2jly s ALA 170 Ca 0.17 -0.90 0.30 0.00 0.00 0.00 0.00 51.96 51.53 2jly s ALA 170 Cb 0.02 -2.76 1.68 0.00 0.00 0.00 0.00 23.12 22.06 2jly s ALA 170 CO 0.01 -1.70 2.16 1.98 0.00 0.00 0.00 175.76 178.21 2jly h MET 171 N -1.00 0.00 0.00 0.00 -1.53 -2.02 -3.30 114.93 107.09 2jly h MET 171 Ca -0.45 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 55.81 2jly h MET 171 Cb 1.30 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 32.35 2jly h MET 171 CO 0.57 0.06 -0.26 0.78 0.14 0.00 0.00 176.91 178.21 2jly h GLY 172 N 0.51 0.00 -1.23 1.39 0.00 -2.00 -3.49 103.07 98.25 2jly h GLY 172 Ca -0.00 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.83 2jly h GLY 172 CO 0.01 0.00 0.39 -0.54 0.00 0.00 0.00 176.54 176.40 2jly s GLU 173 N -1.75 2.95 0.68 4.80 2.02 -1.24 -4.82 118.70 121.34 2jly s GLU 173 Ca -0.08 0.73 -0.13 0.00 0.02 0.00 0.00 54.97 55.52 2jly s GLU 173 Cb 0.01 -2.01 0.01 0.00 0.10 0.00 0.00 34.13 32.24 2jly s GLU 173 CO 0.11 -1.03 1.08 -1.25 0.02 0.00 0.00 175.26 174.19 2jly s PRO 174 N -5.17 2.82 0.37 0.39 0.04 -1.26 -4.51 135.00 127.68 2jly s PRO 174 Ca 0.58 1.21 -0.26 0.00 0.04 0.00 0.00 61.00 62.56 2jly s PRO 174 Cb -0.13 -1.96 -0.09 0.00 0.04 0.00 0.00 34.50 32.36 2jly s PRO 174 CO 0.54 -1.21 1.18 0.34 0.04 0.00 0.00 177.00 177.88 2jly s ASP 175 N -3.06 6.67 0.16 6.66 3.68 -1.26 -4.86 116.67 124.66 2jly s ASP 175 Ca 0.63 2.38 -0.01 0.00 2.13 0.00 0.00 52.55 57.67 2jly s ASP 175 Cb -0.17 -2.62 0.02 0.00 -1.45 0.00 0.00 42.92 38.69 2jly s ASP 175 CO 0.47 -0.57 1.40 0.22 0.13 0.00 0.00 175.17 176.81 2jly h TYR 176 N 2.90 0.51 -3.59 -5.34 3.20 -1.96 -3.43 116.97 109.26 2jly h TYR 176 Ca -0.48 -0.25 -0.66 0.00 3.14 0.00 0.00 58.73 60.48 2jly h TYR 176 Cb 1.23 -0.07 -0.16 0.00 1.54 0.00 0.00 36.73 39.27 2jly h TYR 176 CO 0.56 1.02 -0.05 -2.00 -1.64 0.00 0.00 178.16 176.05 2jly s GLU 177 N -3.46 3.44 -0.14 1.82 2.56 -1.26 -5.02 118.70 116.64 2jly s GLU 177 Ca -0.05 -0.33 0.02 0.00 0.00 0.00 0.00 54.97 54.61 2jly s GLU 177 Cb 0.10 -3.87 0.01 0.00 2.00 0.00 0.00 34.13 32.37 2jly s GLU 177 CO 0.84 -0.76 -0.21 0.08 -0.56 0.00 0.00 175.26 174.66 2jly s VAL 178 N 2.42 2.16 -0.22 3.70 1.01 -1.26 -4.85 120.40 123.36 2jly s VAL 178 Ca 0.18 -0.95 -0.37 0.00 0.00 0.00 0.00 61.98 60.85 2jly s VAL 178 Cb -0.15 -1.87 -0.13 0.00 0.00 0.00 0.00 36.38 34.22 2jly s VAL 178 CO 0.15 0.54 1.89 0.47 0.00 0.00 0.00 175.10 178.15 2jly n ASP 179 N 4.05 2.77 0.30 3.32 8.00 -1.26 -4.82 116.55 128.91 2jly n ASP 179 Ca -0.20 0.90 0.16 0.00 0.71 0.00 0.00 54.79 56.36 2jly n ASP 179 Cb 0.52 -1.26 0.94 0.00 -0.02 0.00 0.00 41.12 41.30 2jly n ASP 179 CO 0.00 0.00 0.00 1.05 -0.39 0.00 0.00 177.20 177.86 2jly h GLU 180 N 9.09 0.00 -0.96 -1.24 4.11 -2.02 -2.82 114.58 120.73 2jly h GLU 180 Ca -0.44 0.00 0.15 0.00 0.07 0.00 0.00 59.36 59.14 2jly h GLU 180 Cb 1.30 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.47 2jly h GLU 180 CO 0.97 0.02 0.61 0.22 0.07 0.00 0.00 179.01 180.90 2jly h ASP 181 N 0.00 0.78 0.94 3.06 3.58 -2.00 -2.70 116.42 120.08 2jly h ASP 181 Ca -0.00 0.06 0.00 0.00 0.42 0.00 0.00 57.03 57.50 2jly h ASP 181 Cb 0.06 -0.10 0.00 0.00 1.72 0.00 0.00 39.33 41.01 2jly h ASP 181 CO 0.00 0.38 0.00 2.30 -2.88 0.00 0.00 179.24 179.04 2jly n ILE 182 N -4.62 0.57 1.07 2.25 -5.35 -1.06 -3.02 119.36 109.18 2jly n ILE 182 Ca 0.19 0.04 0.11 0.00 -0.27 0.00 0.00 62.75 62.83 2jly n ILE 182 Cb 0.46 -0.79 0.10 0.00 -1.74 0.00 0.00 39.64 37.67 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 -1.85 0.00 -2.19 4.28 3.72 -1.02 -4.57 117.46 115.84 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 0.30 -0.06 -0.03 0.00 -0.94 0.00 0.00 39.48 38.75 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 -2.65 4.35 0.48 -1.08 0.52 -1.17 -4.63 118.95 114.77 2jly s ARG 184 Ca 0.17 2.07 -0.24 0.00 -0.52 0.00 0.00 55.73 57.21 2jly s ARG 184 Cb 0.18 -3.22 -0.07 0.00 0.52 0.00 0.00 34.95 32.36 2jly s ARG 184 CO 0.63 -0.35 1.32 0.15 0.02 0.00 0.00 175.30 177.06 2jly s LYS 185 N 0.52 3.57 0.00 3.54 1.02 -1.26 -2.19 119.74 124.94 2jly s LYS 185 Ca 0.61 2.15 0.00 0.00 0.02 0.00 0.00 55.97 58.75 2jly s LYS 185 Cb -0.37 -2.48 0.00 0.00 -0.52 0.00 0.00 37.83 34.46 2jly s LYS 185 CO 0.34 -0.82 0.00 1.63 -0.92 0.00 0.00 175.35 175.59 2jly n LYS 186 N -0.48 0.00 -3.86 1.68 5.02 -1.10 -4.94 118.16 114.49 2jly n LYS 186 Ca 0.07 0.00 -0.36 0.00 -2.02 0.00 0.00 58.31 56.01 2jly n LYS 186 Cb 0.45 -2.55 -0.14 0.00 -0.02 0.00 0.00 35.03 32.78 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 -0.06 3.30 -0.23 1.97 6.06 -0.93 -4.85 118.95 124.20 2jly s ARG 187 Ca 0.00 -0.69 -0.06 0.00 -2.50 0.00 0.00 55.73 52.48 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 -0.27 0.03 -1.17 -2.50 0.00 0.00 175.30 171.39 2jly s LEU 188 N 1.49 3.28 -0.22 -0.88 0.20 -1.26 -1.61 118.68 119.68 2jly s LEU 188 Ca 0.05 -0.25 -0.07 0.00 0.69 0.00 0.00 54.13 54.54 2jly s LEU 188 Cb -0.15 -1.86 -0.04 0.00 -0.43 0.00 0.00 46.19 43.71 2jly s LEU 188 CO -0.01 -0.02 0.07 -0.89 -0.29 0.00 0.00 176.35 175.21 2jly s THR 189 N 1.49 4.57 -0.44 3.68 2.01 0.38 -5.00 115.64 122.32 2jly s THR 189 Ca 0.06 -0.10 -0.17 0.00 0.31 0.00 0.00 61.69 61.79 2jly s THR 189 Cb -0.15 -3.10 0.03 0.00 0.01 0.00 0.00 72.50 69.30 2jly s THR 189 CO 0.02 0.39 0.45 -0.63 -0.69 0.00 0.00 174.62 174.16 2jly s ILE 190 N 1.06 5.08 -0.70 1.82 1.09 -1.26 0.09 121.20 128.38 2jly s ILE 190 Ca 0.04 -0.49 -0.20 0.00 -1.10 0.00 0.00 60.65 58.90 2jly s ILE 190 Cb -0.14 -4.09 0.10 0.00 -1.06 0.00 0.00 42.46 37.28 2jly s ILE 190 CO 0.03 -0.50 0.89 -0.04 -0.10 0.00 0.00 174.94 175.22 2jly s MET 191 N 2.12 3.21 -1.02 2.79 -1.94 0.15 -4.95 119.30 119.66 2jly s MET 191 Ca 0.11 -1.30 -0.03 0.00 -1.71 0.00 0.00 55.69 52.76 2jly s MET 191 Cb -0.19 -4.40 0.31 0.00 2.01 0.00 0.00 34.83 32.56 2jly s MET 191 CO 0.12 -1.67 1.44 -3.47 -0.01 0.00 0.00 175.02 171.43 2jly n ASP 192 N 6.73 6.24 -4.57 3.03 2.03 -1.26 -1.50 116.55 127.25 2jly n ASP 192 Ca 0.01 -3.45 -0.31 0.00 0.52 0.00 0.00 54.79 51.55 2jly n ASP 192 Cb 0.45 -1.19 -0.11 0.00 -0.72 0.00 0.00 41.12 39.56 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 -2.95 3.07 0.84 -2.67 1.43 -1.23 -4.93 118.68 112.25 2jly s LEU 193 Ca 0.33 -0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 53.09 2jly s LEU 193 Cb 0.08 -1.80 0.10 0.00 0.03 0.00 0.00 46.19 44.61 2jly s LEU 193 CO 0.07 0.25 1.13 -1.38 0.23 0.00 0.00 176.35 176.66 2jly s HIS 194 N -1.04 1.99 0.10 0.29 -3.43 -1.26 -3.59 115.29 108.34 2jly s HIS 194 Ca 0.18 1.70 -0.36 0.00 -0.80 0.00 0.00 55.06 55.78 2jly s HIS 194 Cb -0.11 -3.26 -0.15 0.00 -1.43 0.00 0.00 32.58 27.63 2jly s HIS 194 CO 0.09 -2.44 1.46 -2.30 -2.00 0.00 0.00 174.74 169.55 2jly n PRO 195 N -3.82 1.57 -0.77 -0.38 -0.02 -1.26 -1.86 135.00 128.46 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 -2.26 0.00 0.00 -0.02 0.00 0.00 33.50 31.74 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 2.96 0.65 0.23 -1.23 0.00 -1.26 -4.40 105.19 102.14 2jly n GLY 196 Ca 0.18 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 1.02 0.00 4.61 0.00 -1.70 -3.47 119.26 119.72 2jly h ALA 197 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.73 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 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.91 2jly n GLY 198 N 0.14 1.98 0.11 0.00 0.00 -1.26 -4.97 105.19 101.19 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 -0.17 0.01 1.61 1.57 -1.91 0.47 116.57 118.14 2jly h LYS 199 Ca 0.00 0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.64 2jly h LYS 199 Cb 0.00 0.04 0.01 0.00 0.08 0.00 0.00 32.23 32.36 2jly h LYS 199 CO 0.00 0.11 -0.61 1.15 -0.57 0.00 0.00 179.45 179.53 2jly h THR 200 N -0.46 1.43 -0.01 -0.16 2.02 -1.96 -1.47 112.91 112.30 2jly h THR 200 Ca -0.02 -2.10 0.00 0.00 0.77 0.00 0.00 66.41 65.06 2jly h THR 200 Cb 0.37 2.63 0.00 0.00 -1.74 0.00 0.00 68.15 69.40 2jly h THR 200 CO 0.03 0.61 -0.26 0.29 0.37 0.00 0.00 175.52 176.56 2jly n LYS 201 N -4.22 1.89 0.00 6.66 5.02 -1.25 -4.24 118.16 122.03 2jly n LYS 201 Ca -0.10 -0.70 0.00 0.00 -2.02 0.00 0.00 58.31 55.49 2jly n LYS 201 Cb 0.68 -1.17 0.00 0.00 -0.02 0.00 0.00 35.03 34.52 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 -0.19 0.00 0.02 1.97 0.63 -0.82 -4.78 116.66 113.48 2jly n ARG 202 Ca 0.05 0.00 -0.12 0.00 -0.92 0.00 0.00 57.85 56.86 2jly n ARG 202 Cb 0.27 -0.46 -0.09 0.00 0.45 0.00 0.00 32.46 32.63 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 1.18 -0.39 5.15 2.04 -0.16 -3.26 117.51 122.07 2jly h ILE 203 Ca 0.00 -1.25 0.08 0.00 1.00 0.00 0.00 64.86 64.70 2jly h ILE 203 Cb 0.74 1.95 -0.08 0.00 -0.74 0.00 0.00 36.82 38.69 2jly h ILE 203 CO 0.00 0.29 -0.17 0.25 0.00 0.00 0.00 178.15 178.52 2jly h LEU 204 N -0.71 -0.58 -1.24 1.44 5.85 -1.44 -1.78 115.31 116.85 2jly h LEU 204 Ca -0.01 0.14 0.14 0.00 0.84 0.00 0.00 57.88 58.99 2jly h LEU 204 Cb 0.56 0.32 -0.07 0.00 0.37 0.00 0.00 40.66 41.85 2jly h LEU 204 CO 0.02 -0.20 0.58 -0.65 -0.34 0.00 0.00 178.44 177.85 2jly h PRO 205 N -0.09 0.73 -0.36 5.25 0.11 -1.77 -0.76 132.00 135.10 2jly h PRO 205 Ca 0.19 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.25 2jly h PRO 205 Cb 0.39 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.32 2jly h PRO 205 CO -0.45 0.48 0.18 0.77 -0.21 0.00 0.00 178.00 178.77 2jly h SER 206 N 0.75 0.47 -0.36 -2.05 0.02 -1.38 -0.71 113.55 110.29 2jly h SER 206 Ca 0.45 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.26 2jly h SER 206 Cb 0.66 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 2jly h SER 206 CO -0.21 0.45 0.14 0.40 -1.14 0.00 0.00 176.83 176.47 2jly h ILE 207 N 0.45 1.19 -0.35 3.27 2.04 -1.02 -1.90 117.51 121.20 2jly h ILE 207 Ca 0.13 -0.59 -0.04 0.00 1.00 0.00 0.00 64.86 65.35 2jly h ILE 207 Cb 0.10 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2jly h ILE 207 CO -0.02 0.21 0.08 0.58 0.00 0.00 0.00 178.15 179.00 2jly h VAL 208 N 0.44 1.23 -0.68 1.67 2.07 -1.01 0.27 116.25 120.24 2jly h VAL 208 Ca 0.12 -0.78 0.03 0.00 0.82 0.00 0.00 66.70 66.89 2jly h VAL 208 Cb 0.19 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 2jly h VAL 208 CO -0.01 0.26 0.42 0.03 0.02 0.00 0.00 177.57 178.30 2jly h ARG 209 N 0.42 0.80 -0.04 1.57 3.08 -1.11 -1.02 114.38 118.08 2jly h ARG 209 Ca 0.11 -0.05 -0.12 0.00 0.07 0.00 0.00 59.98 59.99 2jly h ARG 209 Cb 0.32 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 2jly h ARG 209 CO 0.00 0.53 -0.53 1.49 -1.07 0.00 0.00 179.97 180.39 2jly h GLU 210 N 0.82 0.10 -0.48 0.04 4.57 -1.06 -2.56 114.58 116.02 2jly h GLU 210 Ca 0.27 -0.06 -0.07 0.00 -1.18 0.00 0.00 59.36 58.32 2jly h GLU 210 Cb 0.03 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 2jly h GLU 210 CO -0.11 0.60 0.01 0.00 -1.18 0.00 0.00 179.01 178.33 2jly h ALA 211 N 1.39 0.64 -0.60 2.92 0.00 0.01 -1.88 119.26 121.74 2jly h ALA 211 Ca -0.00 -0.27 -0.04 0.00 0.00 0.00 0.00 54.91 54.60 2jly h ALA 211 Cb 0.96 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2jly h ALA 211 CO 0.07 0.44 0.23 -0.07 0.00 0.00 0.00 179.25 179.92 2jly h LEU 212 N 0.69 0.85 -1.07 0.00 3.38 -1.11 -0.26 115.31 117.79 2jly h LEU 212 Ca 0.14 -0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 2jly h LEU 212 Cb 0.50 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2jly h LEU 212 CO 0.02 0.80 0.12 -0.07 0.09 0.00 0.00 178.44 179.40 2jly h LEU 213 N 0.85 0.72 0.00 1.67 3.38 -1.44 -2.09 115.31 118.40 2jly h LEU 213 Ca 0.20 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2jly h LEU 213 Cb 0.23 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2jly h LEU 213 CO -0.01 0.72 0.00 0.54 0.09 0.00 0.00 178.44 179.78 2jly n ARG 214 N -4.28 0.07 -2.38 1.13 1.74 -0.71 -4.93 116.66 107.31 2jly n ARG 214 Ca 0.04 0.05 -0.14 0.00 -0.77 0.00 0.00 57.85 57.02 2jly n ARG 214 Cb 0.22 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.16 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 -1.46 -1.61 -2.91 5.56 5.12 -0.25 -4.99 116.66 116.13 2jly n ARG 215 Ca 0.08 0.67 -0.40 0.00 -1.93 0.00 0.00 57.85 56.26 2jly n ARG 215 Cb 0.29 -4.95 -0.05 0.00 -1.16 0.00 0.00 32.46 26.59 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 -4.20 4.44 -0.31 0.55 1.43 -0.39 -5.00 118.68 115.20 2jly s LEU 216 Ca 0.04 1.52 -0.29 0.00 -1.03 0.00 0.00 54.13 54.38 2jly s LEU 216 Cb -0.02 -3.32 -0.02 0.00 0.03 0.00 0.00 46.19 42.86 2jly s LEU 216 CO 0.06 -0.03 1.67 -0.60 0.23 0.00 0.00 176.35 177.67 2jly s ARG 217 N 0.10 3.53 -0.04 1.70 6.06 -1.26 -4.73 118.95 124.31 2jly s ARG 217 Ca 0.41 1.42 0.07 0.00 -2.50 0.00 0.00 55.73 55.13 2jly s ARG 217 Cb -0.21 -4.11 -0.01 0.00 0.06 0.00 0.00 34.95 30.67 2jly s ARG 217 CO 0.24 -1.61 -0.25 0.99 -2.50 0.00 0.00 175.30 172.17 2jly s THR 218 N 6.06 2.02 -0.14 4.11 2.01 0.72 -1.16 115.64 129.26 2jly s THR 218 Ca 0.74 -1.07 0.02 0.00 0.31 0.00 0.00 61.69 61.69 2jly s THR 218 Cb -0.22 -1.70 0.01 0.00 0.01 0.00 0.00 72.50 70.60 2jly s THR 218 CO 0.32 0.57 -0.21 -0.22 -0.69 0.00 0.00 174.62 174.39 2jly s LEU 219 N -0.31 2.16 -0.16 4.42 2.96 -0.30 -0.20 118.68 127.26 2jly s LEU 219 Ca 0.01 -0.59 -0.03 0.00 -0.22 0.00 0.00 54.13 53.30 2jly s LEU 219 Cb -0.12 -1.46 -0.02 0.00 0.50 0.00 0.00 46.19 45.08 2jly s LEU 219 CO 0.02 0.08 -0.05 -0.63 -1.32 0.00 0.00 176.35 174.45 2jly s ILE 220 N 0.84 3.73 -0.16 6.68 1.01 0.12 -0.50 121.20 132.90 2jly s ILE 220 Ca -0.06 -0.41 0.01 0.00 0.00 0.00 0.00 60.65 60.19 2jly s ILE 220 Cb -0.15 -2.63 0.01 0.00 0.01 0.00 0.00 42.46 39.70 2jly s ILE 220 CO -0.02 0.49 -0.19 -0.76 0.00 0.00 0.00 174.94 174.46 2jly s LEU 221 N 0.47 2.23 -0.10 2.97 1.43 0.05 -1.47 118.68 124.25 2jly s LEU 221 Ca -0.04 -0.59 -0.02 0.00 -1.03 0.00 0.00 54.13 52.44 2jly s LEU 221 Cb -0.15 -1.50 -0.03 0.00 0.03 0.00 0.00 46.19 44.54 2jly s LEU 221 CO 0.03 0.04 -0.00 0.00 0.23 0.00 0.00 176.35 176.65 2jly s ALA 222 N 1.06 3.24 0.24 4.21 0.00 -0.18 -1.61 121.76 128.73 2jly s ALA 222 Ca -0.01 -0.81 -0.00 0.00 0.00 0.00 0.00 51.96 51.14 2jly s ALA 222 Cb -0.14 -1.51 0.28 0.00 0.00 0.00 0.00 23.12 21.75 2jly s ALA 222 CO -0.06 0.51 1.64 -1.00 0.00 0.00 0.00 175.76 176.84 2jly h PRO 223 N 5.48 0.54 -4.78 0.00 0.13 -1.89 0.24 132.00 131.72 2jly h PRO 223 Ca -0.47 -0.25 -0.35 0.00 -0.87 0.00 0.00 66.00 64.07 2jly h PRO 223 Cb 1.19 -0.01 -0.14 0.00 0.13 0.00 0.00 31.00 32.17 2jly h PRO 223 CO 0.57 0.81 -0.58 0.95 -0.23 0.00 0.00 178.00 179.51 2jly s THR 224 N -4.35 0.22 0.11 1.56 -4.23 -1.26 -4.49 115.64 103.21 2jly s THR 224 Ca -0.07 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.63 2jly s THR 224 Cb 0.13 -2.53 0.15 0.00 1.34 0.00 0.00 72.50 71.59 2jly s THR 224 CO 0.81 0.00 1.71 0.03 -0.54 0.00 0.00 174.62 176.64 2jly h ARG 225 N 2.38 0.00 0.22 3.99 3.08 -1.90 -2.36 114.38 119.79 2jly h ARG 225 Ca -0.34 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 59.70 2jly h ARG 225 Cb 1.25 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.30 2jly h ARG 225 CO 0.52 0.36 -0.11 0.28 -1.07 0.00 0.00 179.97 179.95 2jly h VAL 226 N 0.00 0.77 -0.89 2.04 2.07 -1.94 0.26 116.25 118.56 2jly h VAL 226 Ca -0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 2jly h VAL 226 Cb 0.93 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 2jly h VAL 226 CO 0.05 0.00 0.47 0.58 0.02 0.00 0.00 177.57 178.68 2jly h VAL 227 N -0.30 1.26 -0.83 2.57 2.07 -1.78 -2.40 116.25 116.84 2jly h VAL 227 Ca -0.03 -0.67 0.01 0.00 0.82 0.00 0.00 66.70 66.83 2jly h VAL 227 Cb 0.24 0.08 -0.04 0.00 -1.52 0.00 0.00 31.29 30.05 2jly h VAL 227 CO 0.04 0.30 0.55 0.00 0.02 0.00 0.00 177.57 178.48 2jly h ALA 228 N 1.25 1.06 -0.29 1.67 0.00 -1.20 -1.35 119.26 120.40 2jly h ALA 228 Ca 0.31 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 55.06 2jly h ALA 228 Cb 0.06 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2jly h ALA 228 CO -0.05 0.44 -0.27 0.00 0.00 0.00 0.00 179.25 179.38 2jly h ALA 229 N 1.31 0.99 -0.49 0.00 0.00 -0.75 -2.12 119.26 118.19 2jly h ALA 229 Ca 0.31 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.75 2jly h ALA 229 Cb -0.10 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 2jly h ALA 229 CO -0.08 0.60 -0.07 0.93 0.00 0.00 0.00 179.25 180.63 2jly h GLU 230 N 0.51 0.88 -0.14 0.00 4.39 -1.12 -2.95 114.58 116.15 2jly h GLU 230 Ca 0.07 -0.29 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 2jly h GLU 230 Cb 0.73 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 29.30 2jly h GLU 230 CO 0.06 0.92 0.05 0.52 -1.16 0.00 0.00 179.01 179.39 2jly h MET 231 N 0.79 0.22 -0.89 2.33 2.86 -1.01 -3.13 114.93 116.09 2jly h MET 231 Ca 0.14 -0.04 0.11 0.00 -2.06 0.00 0.00 59.70 57.84 2jly h MET 231 Cb 0.58 -0.03 -0.08 0.00 0.06 0.00 0.00 31.60 32.13 2jly h MET 231 CO 0.04 0.34 0.53 1.49 1.06 0.00 0.00 176.91 180.36 2jly h GLU 232 N 0.05 0.83 -0.62 1.72 4.22 -1.35 0.63 114.58 120.06 2jly h GLU 232 Ca 0.05 -0.05 0.07 0.00 0.08 0.00 0.00 59.36 59.50 2jly h GLU 232 Cb 0.21 -0.19 -0.06 0.00 0.50 0.00 0.00 28.75 29.21 2jly h GLU 232 CO -0.00 0.55 0.31 0.93 -2.18 0.00 0.00 179.01 178.62 2jly h GLU 233 N 0.86 0.55 0.00 1.92 5.08 -1.48 0.01 114.58 121.52 2jly h GLU 233 Ca 0.44 -0.03 -0.14 0.00 -1.00 0.00 0.00 59.36 58.62 2jly h GLU 233 Cb 0.42 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2jly h GLU 233 CO -0.26 0.36 -0.66 0.00 -1.00 0.00 0.00 179.01 177.45 2jly h ALA 234 N 1.36 0.74 -0.19 3.43 0.00 -1.27 -3.32 119.26 120.01 2jly h ALA 234 Ca 0.29 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.59 2jly h ALA 234 Cb 0.24 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.92 2jly h ALA 234 CO -0.21 0.83 0.00 1.28 0.00 0.00 0.00 179.25 181.15 2jly n LEU 235 N -3.51 3.09 -4.68 0.00 4.77 0.13 -4.87 117.00 111.92 2jly n LEU 235 Ca -0.00 -1.24 -0.45 0.00 -0.03 0.00 0.00 56.01 54.29 2jly n LEU 235 Cb 0.71 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.66 2jly n LEU 235 CO 0.42 0.60 1.14 -1.14 -1.33 0.00 0.00 177.39 177.08 2jly n ARG 236 N 1.31 2.22 0.00 3.23 0.63 -0.04 -1.66 116.66 122.35 2jly n ARG 236 Ca 0.15 0.79 0.00 0.00 -0.92 0.00 0.00 57.85 57.88 2jly n ARG 236 Cb 0.57 -2.53 0.00 0.00 0.45 0.00 0.00 32.46 30.95 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 2.81 2.98 3.77 5.14 0.00 -1.26 -5.06 105.19 113.56 2jly n GLY 237 Ca 0.14 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.73 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 4.38 -1.15 0.99 1.43 -0.67 -4.93 118.68 118.74 2jly s LEU 238 Ca 0.00 2.19 -0.23 0.00 -1.03 0.00 0.00 54.13 55.06 2jly s LEU 238 Cb 0.00 -3.85 -0.10 0.00 0.03 0.00 0.00 46.19 42.27 2jly s LEU 238 CO 0.00 -0.30 1.93 -0.81 0.23 0.00 0.00 176.35 177.41 2jly n PRO 239 N 0.67 1.56 -5.01 1.29 -0.04 -1.26 -4.91 135.00 127.30 2jly n PRO 239 Ca 0.01 -2.40 -0.32 0.00 -0.04 0.00 0.00 63.50 60.75 2jly n PRO 239 Cb 0.47 -3.66 -0.15 0.00 -0.04 0.00 0.00 33.50 30.11 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 10.66 2.64 -0.46 0.52 1.01 -1.26 -4.35 121.20 129.96 2jly s ILE 240 Ca 0.68 -0.85 -0.21 0.00 0.00 0.00 0.00 60.65 60.27 2jly s ILE 240 Cb 0.01 -2.03 0.03 0.00 0.01 0.00 0.00 42.46 40.47 2jly s ILE 240 CO 0.14 0.56 0.67 -0.60 0.00 0.00 0.00 174.94 175.71 2jly s ARG 241 N -0.16 3.27 -0.24 2.79 6.06 0.31 -4.95 118.95 126.02 2jly s ARG 241 Ca -0.02 -0.42 -0.22 0.00 -2.50 0.00 0.00 55.73 52.57 2jly s ARG 241 Cb -0.14 -3.98 -0.01 0.00 0.06 0.00 0.00 34.95 30.88 2jly s ARG 241 CO 0.04 -1.09 0.72 0.71 -2.50 0.00 0.00 175.30 173.18 2jly s TYR 242 N 2.92 3.30 -0.75 5.12 1.51 -1.26 -0.45 117.35 127.74 2jly s TYR 242 Ca 0.23 0.97 0.03 0.00 -1.01 0.00 0.00 57.07 57.28 2jly s TYR 242 Cb -0.15 -2.93 0.33 0.00 -0.11 0.00 0.00 41.96 39.11 2jly s TYR 242 CO 0.18 -0.34 1.28 1.04 -1.11 0.00 0.00 175.55 176.60 2jly n GLN 243 N 5.78 4.06 -3.68 -0.62 6.02 0.16 -4.96 117.38 124.14 2jly n GLN 243 Ca 0.02 -4.79 -0.11 0.00 -0.01 0.00 0.00 57.00 52.12 2jly n GLN 243 Cb 0.48 -2.32 -0.09 0.00 1.02 0.00 0.00 30.24 29.33 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 0.06 5.09 -1.32 -1.26 -4.50 115.64 109.25 2jly s THR 244 Ca 0.45 0.04 0.26 0.00 -1.21 0.00 0.00 61.69 61.23 2jly s THR 244 Cb 0.25 -0.74 0.26 0.00 -1.51 0.00 0.00 72.50 70.75 2jly s THR 244 CO -0.14 0.02 1.77 1.55 -2.21 0.00 0.00 174.62 175.61 2jly h PRO 245 N 6.51 0.00 0.00 7.08 0.13 -2.00 -2.52 132.00 141.19 2jly h PRO 245 Ca -0.32 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 64.76 2jly h PRO 245 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.31 2jly h PRO 245 CO 0.22 0.00 -0.24 0.00 -0.23 0.00 0.00 178.00 177.76 2jly h ALA 246 N 1.85 1.59 -3.60 -0.56 0.00 -1.96 -3.43 119.26 113.15 2jly h ALA 246 Ca 0.00 -0.21 -0.60 0.00 0.00 0.00 0.00 54.91 54.10 2jly h ALA 246 Cb 0.12 -0.04 -0.32 0.00 0.00 0.00 0.00 17.79 17.55 2jly h ALA 246 CO 0.00 0.30 -0.85 0.08 0.00 0.00 0.00 179.25 178.78 2jly s VAL 247 N -4.49 1.60 -0.17 0.00 1.01 -0.95 -4.89 120.40 112.52 2jly s VAL 247 Ca -0.04 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.16 2jly s VAL 247 Cb 0.15 -1.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.13 2jly s VAL 247 CO 0.70 0.46 -0.12 -0.54 0.00 0.00 0.00 175.10 175.60 2jly s LYS 248 N 0.29 3.29 -0.03 2.72 3.01 -1.26 -4.70 119.74 123.06 2jly s LYS 248 Ca -0.11 -0.70 -0.24 0.00 -1.01 0.00 0.00 55.97 53.91 2jly s LYS 248 Cb -0.15 -2.73 0.05 0.00 -1.01 0.00 0.00 37.83 33.99 2jly s LYS 248 CO 0.05 -0.01 0.52 -1.54 0.51 0.00 0.00 175.35 174.88 2jly s SER 249 N 0.91 -0.45 0.18 2.83 1.04 -1.26 -5.14 113.70 111.81 2jly s SER 249 Ca -0.03 0.44 -0.31 0.00 0.48 0.00 0.00 55.95 56.53 2jly s SER 249 Cb -0.15 0.44 -0.10 0.00 0.10 0.00 0.00 66.02 66.31 2jly s SER 249 CO -0.01 -0.54 1.51 -1.81 0.98 0.00 0.00 173.24 173.38 2jly s ASP 250 N -1.25 6.64 -0.10 7.02 1.11 -1.26 -4.95 116.67 123.87 2jly s ASP 250 Ca -0.12 2.58 0.03 0.00 0.18 0.00 0.00 52.55 55.22 2jly s ASP 250 Cb -0.02 -2.60 0.01 0.00 1.07 0.00 0.00 42.92 41.38 2jly s ASP 250 CO 0.07 -0.77 -0.19 -1.38 1.18 0.00 0.00 175.17 174.08 2jly s HIS 251 N 0.88 2.20 0.26 4.23 -3.43 -1.26 -5.00 115.29 113.18 2jly s HIS 251 Ca 0.67 -0.96 0.14 0.00 -0.80 0.00 0.00 55.06 54.11 2jly s HIS 251 Cb -0.42 -1.52 0.54 0.00 -1.43 0.00 0.00 32.58 29.75 2jly s HIS 251 CO 0.34 -0.43 1.70 1.79 -2.00 0.00 0.00 174.74 176.13 2jly h THR 252 N 5.84 1.23 0.00 -5.38 1.35 -1.96 -3.47 112.91 110.52 2jly h THR 252 Ca -0.26 -1.76 0.00 0.00 -0.55 0.00 0.00 66.41 63.84 2jly h THR 252 Cb 1.21 1.98 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 2jly h THR 252 CO 0.49 0.48 0.00 0.61 -0.25 0.00 0.00 175.52 176.85 2jly n GLY 253 N 0.09 0.09 1.41 5.82 0.00 -1.26 -4.92 105.19 106.43 2jly n GLY 253 Ca -0.01 0.00 0.09 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 -2.00 3.70 -2.07 1.61 0.00 -1.26 -4.99 116.66 111.64 2jly n ARG 254 Ca 0.00 -2.84 -0.42 0.00 -0.00 0.00 0.00 57.85 54.60 2jly n ARG 254 Cb 0.00 -1.88 -0.03 0.00 -0.00 0.00 0.00 32.46 30.56 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 -2.06 4.29 0.00 2.89 8.01 -1.26 -4.92 118.70 125.65 2jly s GLU 255 Ca 0.47 2.21 0.24 0.00 0.01 0.00 0.00 54.97 57.90 2jly s GLU 255 Cb 0.32 -3.17 0.24 0.00 -4.31 0.00 0.00 34.13 27.22 2jly s GLU 255 CO 0.20 -0.43 1.26 0.44 0.01 0.00 0.00 175.26 176.74 2jly n ILE 256 N 3.09 0.00 -4.02 -1.63 -5.35 -1.26 -4.86 119.36 105.32 2jly n ILE 256 Ca 0.09 -0.29 -0.34 0.00 -0.27 0.00 0.00 62.75 61.94 2jly n ILE 256 Cb 0.41 1.11 -0.15 0.00 -1.74 0.00 0.00 39.64 39.27 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 -2.34 2.98 -0.08 7.28 1.01 -1.26 -0.20 120.40 127.79 2jly s VAL 257 Ca 0.23 -0.63 0.00 0.00 0.00 0.00 0.00 61.98 61.58 2jly s VAL 257 Cb 0.19 -2.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.21 2jly s VAL 257 CO 0.49 0.46 -0.07 -1.81 0.00 0.00 0.00 175.10 174.17 2jly s ASP 258 N 1.36 4.65 -0.07 3.32 1.01 0.72 -0.53 116.67 127.12 2jly s ASP 258 Ca 0.05 -0.04 0.04 0.00 0.71 0.00 0.00 52.55 53.30 2jly s ASP 258 Cb -0.14 -1.25 0.00 0.00 1.01 0.00 0.00 42.92 42.54 2jly s ASP 258 CO -0.05 0.34 -0.20 -0.22 0.21 0.00 0.00 175.17 175.24 2jly s LEU 259 N -0.65 1.94 0.32 1.23 0.20 0.41 0.11 118.68 122.24 2jly s LEU 259 Ca 0.10 -0.45 -0.18 0.00 0.69 0.00 0.00 54.13 54.29 2jly s LEU 259 Cb -0.11 -1.17 0.03 0.00 -0.43 0.00 0.00 46.19 44.51 2jly s LEU 259 CO 0.02 0.14 0.73 0.00 -0.29 0.00 0.00 176.35 176.94 2jly s MET 260 N 0.29 1.94 0.49 1.98 0.23 -0.54 0.36 119.30 124.05 2jly s MET 260 Ca -0.13 -1.19 -0.13 0.00 -1.03 0.00 0.00 55.69 53.21 2jly s MET 260 Cb -0.16 0.60 -0.07 0.00 -1.53 0.00 0.00 34.83 33.68 2jly s MET 260 CO 0.06 -0.89 0.90 0.00 -2.03 0.00 0.00 175.02 173.06 2jly h HIS 262 N 0.83 -0.54 0.00 0.00 3.86 -0.75 -1.72 115.15 116.84 2jly h HIS 262 Ca -0.47 0.05 -0.06 0.00 -1.16 0.00 0.00 60.37 58.73 2jly h HIS 262 Cb 1.19 0.32 -0.01 0.00 1.06 0.00 0.00 27.41 29.96 2jly h HIS 262 CO 0.63 -0.30 -0.31 0.00 0.86 0.00 0.00 177.93 178.81 2jly h ALA 263 N 1.25 1.13 -0.50 2.45 0.00 -1.84 -2.79 119.26 118.96 2jly h ALA 263 Ca 0.24 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 2jly h ALA 263 Cb 0.47 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.19 2jly h ALA 263 CO -0.57 0.38 -0.01 1.15 0.00 0.00 0.00 179.25 180.20 2jly h THR 264 N 0.00 1.26 -0.17 0.00 2.02 -1.71 -2.00 112.91 112.31 2jly h THR 264 Ca -0.00 -1.10 -0.02 0.00 0.77 0.00 0.00 66.41 66.06 2jly h THR 264 Cb 0.72 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 68.10 2jly h THR 264 CO 0.04 0.39 0.03 0.15 0.37 0.00 0.00 175.52 176.50 2jly h PHE 265 N 0.75 0.30 -0.97 3.16 3.57 -1.23 -1.44 116.94 121.08 2jly h PHE 265 Ca 0.14 -0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.62 2jly h PHE 265 Cb 0.53 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 39.14 2jly h PHE 265 CO 0.04 0.44 0.64 1.15 -2.23 0.00 0.00 178.31 178.35 2jly h THR 266 N 0.08 1.22 -0.33 4.41 2.02 -1.51 -0.26 112.91 118.53 2jly h THR 266 Ca 0.05 -0.44 -0.01 0.00 0.77 0.00 0.00 66.41 66.78 2jly h THR 266 Cb 0.30 -0.17 -0.02 0.00 -1.74 0.00 0.00 68.15 66.52 2jly h THR 266 CO 0.00 0.23 0.18 0.74 0.37 0.00 0.00 175.52 177.04 2jly h THR 267 N 1.28 1.14 -0.51 3.16 2.02 -1.23 -1.45 112.91 117.33 2jly h THR 267 Ca 0.36 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 67.15 2jly h THR 267 Cb -0.10 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 2jly h THR 267 CO -0.09 0.14 0.23 0.03 0.37 0.00 0.00 175.52 176.21 2jly h ARG 268 N 0.41 0.71 -0.15 6.66 3.08 -0.79 -0.99 114.38 123.31 2jly h ARG 268 Ca 0.12 -0.09 -0.09 0.00 0.07 0.00 0.00 59.98 59.99 2jly h ARG 268 Cb 0.07 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 2jly h ARG 268 CO -0.02 0.56 -0.29 -0.07 -1.07 0.00 0.00 179.97 179.09 2jly h LEU 269 N 0.71 0.27 0.00 3.04 3.38 -0.70 -3.07 115.31 118.95 2jly h LEU 269 Ca 0.18 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2jly h LEU 269 Cb 0.09 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2jly h LEU 269 CO -0.02 0.56 -0.55 -0.07 0.09 0.00 0.00 178.44 178.45 2jly h LEU 270 N 0.24 0.00-10.62 1.67 3.38 -0.71 -3.42 115.31 105.85 2jly h LEU 270 Ca 0.04 -0.01 -0.46 0.00 0.09 0.00 0.00 57.88 57.54 2jly h LEU 270 Cb 0.64 0.00 0.09 0.00 0.09 0.00 0.00 40.66 41.48 2jly h LEU 270 CO 0.05 0.00 0.26 -0.94 0.09 0.00 0.00 178.44 177.91 2jly s SER 271 N -5.64 4.53 0.00 -0.43 1.04 -0.43 -4.97 113.70 107.80 2jly s SER 271 Ca 0.03 0.40 0.23 0.00 0.48 0.00 0.00 55.95 57.09 2jly s SER 271 Cb 0.08 -0.94 1.31 0.00 0.10 0.00 0.00 66.02 66.57 2jly s SER 271 CO 0.73 -1.80 1.74 -1.20 0.98 0.00 0.00 173.24 173.70 2jly n SER 272 N -3.07 0.00 -3.89 7.02 7.64 -1.26 -4.75 113.62 115.31 2jly n SER 272 Ca 0.09 -0.53 -0.09 0.00 1.01 0.00 0.00 58.87 59.35 2jly n SER 272 Cb 0.60 -0.08 -0.06 0.00 -1.01 0.00 0.00 64.21 63.67 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 -2.16 0.05 -0.28 0.44 -4.23 -1.26 -5.12 115.64 103.07 2jly s THR 273 Ca 0.31 -1.18 0.02 0.00 -1.18 0.00 0.00 61.69 59.65 2jly s THR 273 Cb 0.16 -1.79 0.16 0.00 1.34 0.00 0.00 72.50 72.37 2jly s THR 273 CO 0.29 -0.21 0.42 -0.13 -0.54 0.00 0.00 174.62 174.44 2jly s ARG 274 N -3.94 0.41 0.50 3.99 1.81 -1.26 -4.78 118.95 115.68 2jly s ARG 274 Ca 0.15 0.21 -0.23 0.00 -1.72 0.00 0.00 55.73 54.14 2jly s ARG 274 Cb 0.01 -0.29 -0.06 0.00 -0.45 0.00 0.00 34.95 34.16 2jly s ARG 274 CO -0.00 -0.98 1.32 0.14 -0.68 0.00 0.00 175.30 175.10 2jly s VAL 275 N 2.56 2.34 0.65 3.52 -7.23 -1.26 -4.98 120.40 116.00 2jly s VAL 275 Ca 0.10 0.27 -0.18 0.00 -1.81 0.00 0.00 61.98 60.36 2jly s VAL 275 Cb -0.13 -3.14 -0.01 0.00 0.56 0.00 0.00 36.38 33.66 2jly s VAL 275 CO -0.28 0.01 1.29 -2.65 -0.31 0.00 0.00 175.10 173.16 2jly n PRO 276 N -0.65 1.12 -2.55 4.82 -0.02 -1.26 -4.91 135.00 131.55 2jly n PRO 276 Ca 0.08 0.44 -0.43 0.00 -2.02 0.00 0.00 63.50 61.57 2jly n PRO 276 Cb 0.45 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.40 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 -1.87 4.88 -4.74 2.55 2.85 -1.26 -4.97 115.26 112.70 2jly n ASN 277 Ca 0.16 -2.93 -0.41 0.00 -0.11 0.00 0.00 54.58 51.29 2jly n ASN 277 Cb 0.48 -1.71 -0.02 0.00 1.24 0.00 0.00 39.78 39.77 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 3.61 3.03 -1.14 1.20 1.51 -1.26 -4.86 117.35 119.45 2jly s TYR 278 Ca 0.51 0.99 0.19 0.00 -1.01 0.00 0.00 57.07 57.75 2jly s TYR 278 Cb 0.04 -3.82 -0.15 0.00 -0.11 0.00 0.00 41.96 37.92 2jly s TYR 278 CO 0.05 -2.72 0.84 0.27 -1.11 0.00 0.00 175.55 172.88 2jly n ASN 279 N 2.55 1.15 -3.88 2.29 0.23 -0.31 -4.59 115.26 112.71 2jly n ASN 279 Ca 0.08 -1.08 -0.23 0.00 -0.53 0.00 0.00 54.58 52.82 2jly n ASN 279 Cb 0.40 0.85 -0.17 0.00 -2.08 0.00 0.00 39.78 38.78 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 -2.70 1.13 -0.14 -4.53 2.96 -1.03 -0.15 118.68 114.22 2jly s LEU 280 Ca 0.10 -0.17 0.01 0.00 -0.22 0.00 0.00 54.13 53.84 2jly s LEU 280 Cb 0.14 -0.58 0.02 0.00 0.50 0.00 0.00 46.19 46.28 2jly s LEU 280 CO 0.68 -0.10 -0.14 -0.63 -1.32 0.00 0.00 176.35 174.84 2jly s ILE 281 N 1.34 1.55 -0.31 6.68 1.01 -0.28 -1.15 121.20 130.04 2jly s ILE 281 Ca -0.04 -0.63 -0.07 0.00 0.00 0.00 0.00 60.65 59.91 2jly s ILE 281 Cb -0.14 -1.44 0.01 0.00 0.01 0.00 0.00 42.46 40.91 2jly s ILE 281 CO -0.03 0.45 0.10 -0.69 0.00 0.00 0.00 174.94 174.78 2jly s VAL 282 N 1.34 4.05 -0.33 2.92 1.01 0.34 -0.49 120.40 129.24 2jly s VAL 282 Ca 0.02 -0.77 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 2jly s VAL 282 Cb -0.13 -3.14 0.01 0.00 0.00 0.00 0.00 36.38 33.12 2jly s VAL 282 CO -0.08 -0.00 0.15 -0.32 0.00 0.00 0.00 175.10 174.85 2jly s MET 283 N 1.50 3.01 0.18 2.72 0.00 0.44 -0.77 119.30 126.38 2jly s MET 283 Ca 0.02 -0.94 -0.24 0.00 0.00 0.00 0.00 55.69 54.53 2jly s MET 283 Cb -0.18 -3.57 -0.08 0.00 0.00 0.00 0.00 34.83 31.00 2jly s MET 283 CO 0.03 -0.56 0.77 0.34 0.00 0.00 0.00 175.02 175.60 2jly s ASP 284 N 1.54 7.30 -0.95 1.11 2.15 -0.63 -0.90 116.67 126.30 2jly s ASP 284 Ca 0.02 1.59 -0.03 0.00 0.43 0.00 0.00 52.55 54.57 2jly s ASP 284 Cb -0.18 -2.48 -0.03 0.00 -0.30 0.00 0.00 42.92 39.92 2jly s ASP 284 CO 0.05 0.16 0.81 -0.62 -0.17 0.00 0.00 175.17 175.40 2jly n GLU 285 N 1.34 -3.50 0.00 4.34 -0.58 0.18 -4.28 120.64 118.13 2jly n GLU 285 Ca -0.05 0.73 0.00 0.00 -0.42 0.00 0.00 57.16 57.43 2jly n GLU 285 Cb 0.49 -5.27 0.00 0.00 -0.57 0.00 0.00 31.44 26.09 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 -3.27 2.22 0.49 0.62 0.00 -0.68 -1.97 120.51 117.92 2jly n ALA 286 Ca -0.14 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.37 2jly n ALA 286 Cb 0.62 -1.00 -0.09 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.24 0.00 -1.68 0.00 1.44 -1.26 -4.86 115.22 108.62 2jly n HIS 287 Ca 0.00 0.00 -0.57 0.00 -2.01 0.00 0.00 57.72 55.14 2jly n HIS 287 Cb 0.08 -0.09 -0.07 0.00 0.12 0.00 0.00 29.99 30.03 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 -1.52 1.87 1.23 -1.40 -0.00 -0.83 -4.87 117.46 111.93 2jly n PHE 288 Ca 0.01 0.61 0.13 0.00 -0.00 0.00 0.00 57.45 58.20 2jly n PHE 288 Cb 0.27 -2.41 0.32 0.00 -0.00 0.00 0.00 39.48 37.66 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 3.99 0.00 -1.56 -2.13 -2.24 -1.26 -4.08 114.28 107.00 2jly n THR 289 Ca 0.25 -0.19 -0.53 0.00 -2.27 0.00 0.00 64.05 61.31 2jly n THR 289 Cb 0.13 0.63 -0.06 0.00 -2.10 0.00 0.00 70.33 68.93 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 -0.28 1.11 0.02 3.42 2.03 -1.26 -4.77 116.55 116.81 2jly n ASP 290 Ca 0.13 1.13 0.21 0.00 0.52 0.00 0.00 54.79 56.78 2jly n ASP 290 Cb 0.38 -1.13 0.72 0.00 -0.72 0.00 0.00 41.12 40.37 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 3.80 0.00 0.00 -0.67 0.13 -1.90 0.23 132.00 133.58 2jly h PRO 291 Ca -0.47 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.52 2jly h PRO 291 Cb 1.36 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.47 2jly h PRO 291 CO 0.72 0.00 -0.68 0.00 -0.23 0.00 0.00 178.00 177.81 2jly h SER 293 N 0.00 0.82 -0.44 0.00 0.87 -1.24 -1.62 113.55 111.93 2jly h SER 293 Ca -0.01 -0.77 -0.03 0.00 -1.23 0.00 0.00 61.79 59.75 2jly h SER 293 Cb 1.30 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.99 2jly h SER 293 CO 0.09 1.49 0.16 0.58 -0.53 0.00 0.00 176.83 178.63 2jly h VAL 294 N 0.24 1.21 -0.75 2.23 2.07 -1.49 -1.55 116.25 118.21 2jly h VAL 294 Ca -0.14 -0.66 -0.06 0.00 0.82 0.00 0.00 66.70 66.67 2jly h VAL 294 Cb 1.68 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 32.24 2jly h VAL 294 CO 0.20 0.24 0.24 0.00 0.02 0.00 0.00 177.57 178.27 2jly h ALA 295 N 1.01 1.01 -0.65 1.67 0.00 -1.53 -2.13 119.26 118.64 2jly h ALA 295 Ca 0.15 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.83 2jly h ALA 295 Cb 0.21 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 2jly h ALA 295 CO -0.01 0.67 0.40 0.00 0.00 0.00 0.00 179.25 180.30 2jly h ALA 296 N 1.15 0.83 -0.20 0.00 0.00 -1.11 -1.95 119.26 117.97 2jly h ALA 296 Ca 0.24 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.06 2jly h ALA 296 Cb 0.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2jly h ALA 296 CO -0.01 0.30 0.05 0.00 0.00 0.00 0.00 179.25 179.59 2jly h ARG 297 N 0.89 0.29 -0.51 0.00 3.08 -1.03 -1.08 114.38 116.01 2jly h ARG 297 Ca 0.23 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.16 2jly h ARG 297 Cb -0.03 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 29.95 2jly h ARG 297 CO -0.04 0.27 -0.02 0.78 -1.07 0.00 0.00 179.97 179.89 2jly h GLY 298 N 0.48 0.99 0.68 0.04 0.00 -0.70 -1.16 103.07 103.40 2jly h GLY 298 Ca 0.07 -0.74 -0.01 0.00 0.00 0.00 0.00 47.33 46.66 2jly h GLY 298 CO -0.00 0.68 -0.06 -1.82 0.00 0.00 0.00 176.54 175.33 2jly h TYR 299 N 0.78 -0.17 -0.33 5.60 3.20 -1.03 -2.83 116.97 122.20 2jly h TYR 299 Ca 0.14 -0.00 0.03 0.00 3.14 0.00 0.00 58.73 62.04 2jly h TYR 299 Cb 0.55 0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.84 2jly h TYR 299 CO 0.04 0.16 0.14 0.82 -1.64 0.00 0.00 178.16 177.68 2jly h ILE 300 N -0.50 0.95 0.00 1.81 2.04 -1.21 -1.41 117.51 119.19 2jly h ILE 300 Ca -0.02 -0.10 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 2jly h ILE 300 Cb 0.40 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.09 2jly h ILE 300 CO 0.03 0.06 -0.19 0.77 0.00 0.00 0.00 178.15 178.82 2jly h SER 301 N 0.31 0.00 0.59 1.72 4.64 -1.28 -1.86 113.55 117.68 2jly h SER 301 Ca 0.14 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.21 2jly h SER 301 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2jly h SER 301 CO -0.12 0.19 -1.14 0.71 -0.87 0.00 0.00 176.83 175.60 2jly h THR 302 N 0.00 1.49 -0.78 2.95 1.35 -1.18 -2.00 112.91 114.75 2jly h THR 302 Ca -0.00 -2.93 0.03 0.00 -0.55 0.00 0.00 66.41 62.96 2jly h THR 302 Cb 0.42 2.80 -0.05 0.00 -1.73 0.00 0.00 68.15 69.59 2jly h THR 302 CO 0.02 0.86 0.49 0.03 -0.25 0.00 0.00 175.52 176.67 2jly h ARG 303 N 0.10 0.93 -0.07 4.72 2.47 -0.86 0.34 114.38 122.00 2jly h ARG 303 Ca -0.11 -0.06 -0.01 0.00 -1.26 0.00 0.00 59.98 58.54 2jly h ARG 303 Cb 1.84 -0.21 -0.00 0.00 -1.65 0.00 0.00 29.97 29.95 2jly h ARG 303 CO 0.19 0.61 -0.00 0.28 0.56 0.00 0.00 179.97 181.61 2jly h VAL 304 N 0.95 1.25 -0.71 2.04 2.07 -1.41 0.59 116.25 121.05 2jly h VAL 304 Ca 0.31 -0.78 0.05 0.00 0.82 0.00 0.00 66.70 67.10 2jly h VAL 304 Cb 0.03 1.63 -0.04 0.00 -1.52 0.00 0.00 31.29 31.38 2jly h VAL 304 CO -0.12 0.22 0.47 -0.08 0.02 0.00 0.00 177.57 178.08 2jly h GLU 305 N -0.15 0.75 0.00 1.57 4.81 -1.09 -0.05 114.58 120.42 2jly h GLU 305 Ca 0.02 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 2jly h GLU 305 Cb 0.34 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2jly h GLU 305 CO 0.00 0.50 0.00 -1.33 -0.73 0.00 0.00 179.01 177.45 2jly n MET 306 N -4.47 0.08 -1.71 1.92 2.81 0.09 -4.89 117.12 110.94 2jly n MET 306 Ca 0.10 0.09 -0.02 0.00 -1.81 0.00 0.00 57.70 56.06 2jly n MET 306 Cb 0.19 -1.50 -0.00 0.00 -0.71 0.00 0.00 33.22 31.20 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 0.86 0.37 0.01 3.03 0.00 -0.04 -4.95 105.19 104.47 2jly n GLY 307 Ca 0.07 -0.86 0.10 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.80 0.57 -3.74 1.61 -0.58 0.16 -4.69 120.64 112.17 2jly n GLU 308 Ca -0.03 -0.15 -0.11 0.00 -0.42 0.00 0.00 57.16 56.46 2jly n GLU 308 Cb 0.37 -1.48 -0.07 0.00 -0.57 0.00 0.00 31.44 29.69 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 -3.32 -0.66 -0.01 0.62 0.00 -0.99 -4.43 121.76 112.97 2jly s ALA 309 Ca -0.04 -0.13 -0.04 0.00 0.00 0.00 0.00 51.96 51.75 2jly s ALA 309 Cb 0.14 0.45 -0.04 0.00 0.00 0.00 0.00 23.12 23.66 2jly s ALA 309 CO 0.85 -0.49 0.21 0.00 0.00 0.00 0.00 175.76 176.33 2jly s ALA 310 N -3.14 3.91 0.01 0.00 0.00 0.79 -2.70 121.76 120.65 2jly s ALA 310 Ca -0.01 -0.69 0.01 0.00 0.00 0.00 0.00 51.96 51.27 2jly s ALA 310 Cb 0.01 -1.95 -0.01 0.00 0.00 0.00 0.00 23.12 21.17 2jly s ALA 310 CO -0.07 0.70 -0.04 0.00 0.00 0.00 0.00 175.76 176.35 2jly s ALA 311 N -1.29 0.32 -0.14 0.00 0.00 -0.63 -1.13 121.76 118.89 2jly s ALA 311 Ca 0.26 -0.40 0.01 0.00 0.00 0.00 0.00 51.96 51.83 2jly s ALA 311 Cb -0.13 0.01 0.02 0.00 0.00 0.00 0.00 23.12 23.02 2jly s ALA 311 CO 0.16 -0.00 -0.17 0.42 0.00 0.00 0.00 175.76 176.18 2jly s ILE 312 N -0.71 1.69 -0.33 0.00 1.01 0.36 -0.47 121.20 122.73 2jly s ILE 312 Ca -0.05 -0.73 -0.09 0.00 0.00 0.00 0.00 60.65 59.77 2jly s ILE 312 Cb -0.05 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 40.89 2jly s ILE 312 CO -0.00 0.48 0.15 -0.36 0.00 0.00 0.00 174.94 175.21 2jly s PHE 313 N 1.18 3.20 -0.19 3.97 0.40 0.11 -0.42 117.98 126.24 2jly s PHE 313 Ca -0.01 -0.88 -0.06 0.00 -0.60 0.00 0.00 56.93 55.38 2jly s PHE 313 Cb -0.14 -2.36 -0.03 0.00 0.51 0.00 0.00 43.02 41.00 2jly s PHE 313 CO -0.06 -0.58 0.03 -1.64 0.70 0.00 0.00 175.22 173.67 2jly s MET 314 N 1.55 3.78 -0.28 0.44 -1.94 -0.07 0.30 119.30 123.08 2jly s MET 314 Ca 0.03 -0.44 -0.26 0.00 -1.71 0.00 0.00 55.69 53.31 2jly s MET 314 Cb -0.18 -3.13 0.14 0.00 2.01 0.00 0.00 34.83 33.67 2jly s MET 314 CO 0.05 0.15 1.14 -0.08 -0.01 0.00 0.00 175.02 176.27 2jly s THR 315 N 0.66 0.00 -0.26 2.05 -1.32 -0.56 0.47 115.64 116.68 2jly s THR 315 Ca 0.01 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 60.70 2jly s THR 315 Cb -0.14 -1.00 0.23 0.00 -1.51 0.00 0.00 72.50 70.09 2jly s THR 315 CO 0.02 0.00 1.59 0.00 -2.21 0.00 0.00 174.62 174.02 2jly h ALA 316 N 3.76 0.88 -2.18 11.08 0.00 -1.82 -3.27 119.26 127.71 2jly h ALA 316 Ca -0.27 -0.18 -0.60 0.00 0.00 0.00 0.00 54.91 53.86 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 0.25 -0.63 0.25 0.00 0.00 0.00 179.25 179.26 2jly n THR 317 N -3.17 2.15 -1.25 0.00 -2.24 -1.26 -4.81 114.28 103.69 2jly n THR 317 Ca 0.03 -5.14 -0.32 0.00 -2.27 0.00 0.00 64.05 56.34 2jly n THR 317 Cb 0.58 -2.07 0.10 0.00 -2.10 0.00 0.00 70.33 66.85 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 -2.41 1.98 0.17 -0.78 0.04 -1.26 -4.68 135.00 128.06 2jly s PRO 318 Ca 0.40 1.51 -0.32 0.00 0.04 0.00 0.00 61.00 62.62 2jly s PRO 318 Cb 0.16 -1.84 -0.16 0.00 0.04 0.00 0.00 34.50 32.69 2jly s PRO 318 CO -0.02 -1.90 1.03 -2.30 0.04 0.00 0.00 177.00 173.85 2jly n PRO 319 N -3.25 0.87 -0.17 0.56 -0.02 -1.26 -1.93 135.00 129.80 2jly n PRO 319 Ca 0.11 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.90 2jly n PRO 319 Cb 0.52 -1.71 0.00 0.00 -0.02 0.00 0.00 33.50 32.28 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 1.86 0.68 3.69 -1.23 0.00 -1.26 -5.07 105.19 103.86 2jly n GLY 320 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.71 6.83 0.00 1.61 0.01 -0.81 -4.91 113.70 113.72 2jly s SER 321 Ca 0.00 2.16 0.00 0.00 1.31 0.00 0.00 55.95 59.42 2jly s SER 321 Cb 0.00 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.67 2jly s SER 321 CO 0.00 -0.73 0.19 0.35 0.41 0.00 0.00 173.24 173.46 2jly n THR 322 N 4.61 0.00 -3.17 1.44 -2.24 -1.26 -4.34 114.28 109.32 2jly n THR 322 Ca 0.13 -0.49 -0.43 0.00 -2.27 0.00 0.00 64.05 60.99 2jly n THR 322 Cb 0.43 1.01 -0.07 0.00 -2.10 0.00 0.00 70.33 69.60 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 -0.60 6.26 0.00 3.42 2.15 -1.26 -4.89 116.67 121.75 2jly s ASP 323 Ca 0.00 -0.61 0.23 0.00 0.43 0.00 0.00 52.55 52.60 2jly s ASP 323 Cb 0.00 -2.29 1.00 0.00 -0.30 0.00 0.00 42.92 41.34 2jly s ASP 323 CO 0.00 -0.78 1.75 -2.65 -0.17 0.00 0.00 175.17 173.33 2jly n PRO 324 N 6.09 0.00 -3.10 4.34 -0.02 -1.26 -4.16 135.00 136.88 2jly n PRO 324 Ca -0.05 0.10 -0.25 0.00 -2.02 0.00 0.00 63.50 61.28 2jly n PRO 324 Cb 0.47 -1.50 -0.05 0.00 -0.02 0.00 0.00 33.50 32.40 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 -1.50 2.71 -1.15 6.00 3.72 -1.26 -3.65 117.46 122.33 2jly n PHE 325 Ca 0.06 -3.95 -0.30 0.00 -0.05 0.00 0.00 57.45 53.20 2jly n PHE 325 Cb 0.27 -0.47 0.25 0.00 -0.94 0.00 0.00 39.48 38.59 2jly n PHE 325 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 2jly s PRO 326 N -2.87 -1.41 0.54 -1.08 0.04 -1.26 -4.98 135.00 123.98 2jly s PRO 326 Ca 0.44 -0.23 -0.22 0.00 0.04 0.00 0.00 61.00 61.03 2jly s PRO 326 Cb 0.27 -1.59 -0.05 0.00 0.04 0.00 0.00 34.50 33.16 2jly s PRO 326 CO -0.10 -3.80 1.34 0.94 0.04 0.00 0.00 177.00 175.41 2jly n GLN 327 N -4.79 1.67 -4.27 4.56 7.27 -1.26 -5.02 117.38 115.53 2jly n GLN 327 Ca 0.15 0.61 -0.15 0.00 0.07 0.00 0.00 57.00 57.69 2jly n GLN 327 Cb 0.60 -2.54 -0.10 0.00 2.41 0.00 0.00 30.24 30.60 2jly n GLN 327 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 2jly s SER 328 N -0.90 1.14 0.25 1.69 1.04 -1.26 -4.11 113.70 111.55 2jly s SER 328 Ca 0.71 -1.29 0.02 0.00 0.48 0.00 0.00 55.95 55.88 2jly s SER 328 Cb -0.42 0.15 0.29 0.00 0.10 0.00 0.00 66.02 66.14 2jly s SER 328 CO 0.50 -0.66 1.61 0.78 0.98 0.00 0.00 173.24 176.45 2jly h ASN 329 N 2.54 0.41 -3.92 7.02 2.35 -1.50 -3.45 115.58 119.04 2jly h ASN 329 Ca -0.37 -0.19 -0.49 0.00 -0.55 0.00 0.00 56.30 54.70 2jly h ASN 329 Cb 1.23 -0.12 -0.19 0.00 0.05 0.00 0.00 38.32 39.29 2jly h ASN 329 CO 0.61 0.82 -0.78 -0.44 -1.65 0.00 0.00 177.43 175.99 2jly s SER 330 N -6.88 2.35 0.33 5.81 0.01 -0.00 -4.55 113.70 110.77 2jly s SER 330 Ca -0.06 -0.79 -0.29 0.00 1.31 0.00 0.00 55.95 56.13 2jly s SER 330 Cb 0.12 -0.12 -0.12 0.00 0.21 0.00 0.00 66.02 66.12 2jly s SER 330 CO 0.80 -0.06 1.33 -2.65 0.41 0.00 0.00 173.24 173.08 2jly n PRO 331 N 0.61 2.17 -4.82 12.44 -0.02 -1.26 -4.72 135.00 139.40 2jly n PRO 331 Ca -0.16 0.76 -0.33 0.00 -2.02 0.00 0.00 63.50 61.76 2jly n PRO 331 Cb 0.56 -2.37 -0.15 0.00 -0.02 0.00 0.00 33.50 31.52 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 -0.90 2.72 -0.61 4.25 1.01 -1.26 -4.16 121.20 122.25 2jly s ILE 332 Ca 0.57 -0.77 -0.25 0.00 0.00 0.00 0.00 60.65 60.20 2jly s ILE 332 Cb -0.57 -2.12 0.05 0.00 0.01 0.00 0.00 42.46 39.82 2jly s ILE 332 CO 0.60 0.53 1.03 -0.70 0.00 0.00 0.00 174.94 176.40 2jly s GLU 333 N 0.46 3.28 -0.20 2.79 2.12 -0.43 -4.94 118.70 121.79 2jly s GLU 333 Ca -0.11 -0.34 -0.24 0.00 0.36 0.00 0.00 54.97 54.64 2jly s GLU 333 Cb -0.16 -4.11 -0.01 0.00 0.26 0.00 0.00 34.13 30.10 2jly s GLU 333 CO 0.05 -1.69 0.80 -0.51 -0.54 0.00 0.00 175.26 173.37 2jly s ASP 334 N 3.20 6.87 -0.10 -1.70 1.01 -1.26 -0.97 116.67 123.72 2jly s ASP 334 Ca 0.31 1.07 0.01 0.00 0.71 0.00 0.00 52.55 54.64 2jly s ASP 334 Cb -0.12 -2.43 0.02 0.00 1.01 0.00 0.00 42.92 41.40 2jly s ASP 334 CO 0.17 -0.43 -0.10 -0.63 0.21 0.00 0.00 175.17 174.40 2jly s ILE 335 N 2.39 1.09 -0.29 0.77 1.01 0.22 -4.97 121.20 121.42 2jly s ILE 335 Ca 0.35 -0.37 -0.14 0.00 0.00 0.00 0.00 60.65 60.50 2jly s ILE 335 Cb -0.16 -1.06 -0.04 0.00 0.01 0.00 0.00 42.46 41.21 2jly s ILE 335 CO 0.10 0.37 0.32 -0.70 0.00 0.00 0.00 174.94 175.02 2jly s GLU 336 N 1.34 3.89 0.05 2.79 2.12 -1.26 -0.78 118.70 126.85 2jly s GLU 336 Ca -0.02 -0.17 -0.02 0.00 0.36 0.00 0.00 54.97 55.12 2jly s GLU 336 Cb -0.14 -3.69 -0.03 0.00 0.26 0.00 0.00 34.13 30.53 2jly s GLU 336 CO -0.04 -0.31 0.00 1.03 -0.54 0.00 0.00 175.26 175.40 2jly s ARG 337 N 1.97 0.62 0.28 4.30 0.52 -0.55 -4.97 118.95 121.11 2jly s ARG 337 Ca 0.12 -1.12 -0.29 0.00 -0.52 0.00 0.00 55.73 53.91 2jly s ARG 337 Cb -0.16 0.22 -0.10 0.00 0.52 0.00 0.00 34.95 35.43 2jly s ARG 337 CO 0.11 -0.13 1.37 -2.00 0.02 0.00 0.00 175.30 174.67 2jly s GLU 338 N -3.67 4.31 -0.09 3.54 2.12 -1.26 -4.13 118.70 119.52 2jly s GLU 338 Ca 0.05 2.25 0.03 0.00 0.36 0.00 0.00 54.97 57.66 2jly s GLU 338 Cb 0.06 -3.10 0.01 0.00 0.26 0.00 0.00 34.13 31.36 2jly s GLU 338 CO -0.09 -0.31 -0.20 0.42 -0.54 0.00 0.00 175.26 174.54 2jly s ILE 339 N -0.50 1.75 0.23 -3.70 1.01 -1.26 -5.06 121.20 113.67 2jly s ILE 339 Ca 0.54 -0.83 -0.30 0.00 0.00 0.00 0.00 60.65 60.06 2jly s ILE 339 Cb -0.41 -1.54 -0.09 0.00 0.01 0.00 0.00 42.46 40.43 2jly s ILE 339 CO 0.47 0.49 1.33 -2.16 0.00 0.00 0.00 174.94 175.08 2jly s PRO 340 N 0.53 4.37 0.09 2.79 0.04 -1.26 -4.92 135.00 136.64 2jly s PRO 340 Ca -0.16 2.12 0.15 0.00 0.04 0.00 0.00 61.00 63.15 2jly s PRO 340 Cb -0.17 -3.16 -0.12 0.00 0.04 0.00 0.00 34.50 31.09 2jly s PRO 340 CO 0.06 -0.27 0.94 0.93 0.04 0.00 0.00 177.00 178.70 2jly h GLU 341 N 5.04 0.00 0.00 4.56 5.08 -2.00 -3.48 114.58 123.78 2jly h GLU 341 Ca -0.45 0.00 -0.65 0.00 -1.00 0.00 0.00 59.36 57.26 2jly h GLU 341 Cb 1.22 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.34 2jly h GLU 341 CO 0.76 0.39 -0.49 0.54 -1.00 0.00 0.00 179.01 179.21 2jly n ARG 342 N -2.99 0.70 -1.11 2.33 5.12 -1.26 -4.91 116.66 114.53 2jly n ARG 342 Ca -0.08 -3.72 -0.35 0.00 -1.93 0.00 0.00 57.85 51.78 2jly n ARG 342 Cb 0.85 1.27 0.10 0.00 -1.16 0.00 0.00 32.46 33.52 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 -1.37 -0.80 -3.78 0.55 7.64 -1.26 -4.90 113.62 109.71 2jly n SER 343 Ca -0.17 0.53 -0.13 0.00 1.01 0.00 0.00 58.87 60.10 2jly n SER 343 Cb 0.65 -1.29 -0.14 0.00 -1.01 0.00 0.00 64.21 62.41 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 -2.08 -0.11 0.10 1.43 -2.14 -1.26 -5.03 118.94 109.86 2jly s TRP 344 Ca 0.66 0.35 -0.12 0.00 2.66 0.00 0.00 56.10 59.64 2jly s TRP 344 Cb -0.30 -0.08 -0.16 0.00 -3.10 0.00 0.00 33.47 29.83 2jly s TRP 344 CO 0.58 -0.12 1.29 -0.91 -2.66 0.00 0.00 176.95 175.14 2jly h ASN 345 N 6.90 0.92 -5.03 -2.66 4.21 -2.01 -3.49 115.58 114.42 2jly h ASN 345 Ca -0.38 -0.63 0.02 0.00 1.21 0.00 0.00 56.30 56.52 2jly h ASN 345 Cb 1.15 -0.27 -0.08 0.00 -1.12 0.00 0.00 38.32 38.00 2jly h ASN 345 CO 0.44 1.43 0.16 0.28 -1.29 0.00 0.00 177.43 178.45 2jly s THR 346 N -3.66 0.01 0.00 2.81 -1.32 -1.26 -4.98 115.64 107.23 2jly s THR 346 Ca -0.10 -0.71 0.00 0.00 -1.21 0.00 0.00 61.69 59.67 2jly s THR 346 Cb 0.08 -1.66 0.00 0.00 -1.51 0.00 0.00 72.50 69.41 2jly s THR 346 CO 0.91 -0.03 0.00 0.61 -2.21 0.00 0.00 174.62 173.90 2jly n GLY 347 N -0.41 0.76 2.55 6.08 0.00 -1.26 -4.94 105.19 107.98 2jly n GLY 347 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.77 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 2.19 0.23 1.61 3.72 -1.26 -4.90 117.46 117.05 2jly n PHE 348 Ca 0.00 -2.82 0.06 0.00 -0.05 0.00 0.00 57.45 54.65 2jly n PHE 348 Cb 0.00 -0.24 0.54 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 2.73 0.00 -0.30 4.37 5.19 -2.00 -2.72 116.42 123.70 2jly h ASP 349 Ca 0.09 0.00 0.09 0.00 -0.62 0.00 0.00 57.03 56.59 2jly h ASP 349 Cb 1.11 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.61 2jly h ASP 349 CO 0.63 0.17 0.27 4.11 -3.12 0.00 0.00 179.24 181.30 2jly h TRP 350 N 0.00 0.00 -0.11 4.55 5.08 -1.98 0.08 115.95 123.57 2jly h TRP 350 Ca -0.00 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.94 2jly h TRP 350 Cb 0.30 0.00 -0.00 0.00 -3.00 0.00 0.00 29.16 26.46 2jly h TRP 350 CO 0.00 0.00 -0.04 0.82 -1.28 0.00 0.00 178.44 177.94 2jly h ILE 351 N 0.00 1.31 0.00 0.12 2.04 -1.91 -3.25 117.51 115.82 2jly h ILE 351 Ca 0.14 -1.02 0.00 0.00 1.00 0.00 0.00 64.86 64.98 2jly h ILE 351 Cb 0.68 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.53 2jly h ILE 351 CO -0.00 0.29 -1.04 0.35 0.00 0.00 0.00 178.15 177.75 2jly n THR 352 N -4.73 0.22 0.16 -0.27 -2.24 -0.90 -4.00 114.28 102.52 2jly n THR 352 Ca -0.06 -0.29 0.04 0.00 -2.27 0.00 0.00 64.05 61.47 2jly n THR 352 Cb 0.26 0.12 0.12 0.00 -2.10 0.00 0.00 70.33 68.73 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 -3.30 3.42 3.45 -1.11 -3.46 116.42 115.43 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 0.77 0.00 0.10 0.00 -0.56 0.00 0.00 39.33 39.64 2jly h ASP 353 CO 0.00 0.43 0.58 0.00 -1.57 0.00 0.00 179.24 178.68 2jly n TYR 354 N -3.28 2.39 -0.05 4.55 9.36 -1.23 -4.96 117.16 123.94 2jly n TYR 354 Ca 0.02 0.51 -0.06 0.00 3.32 0.00 0.00 57.90 61.68 2jly n TYR 354 Cb 0.66 -2.45 -0.14 0.00 -0.63 0.00 0.00 39.34 36.78 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 0.84 0.66 0.00 2.98 1.13 -1.26 -5.00 117.38 116.74 2jly n GLN 355 Ca 0.05 0.09 0.00 0.00 -1.94 0.00 0.00 57.00 55.21 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 1.60 -0.55 3.65 1.08 0.00 -1.26 -5.06 105.19 104.65 2jly n GLY 356 Ca -0.22 -1.54 -0.35 0.00 0.00 0.00 0.00 46.02 43.91 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 3.67 -0.06 1.61 1.02 -1.26 -4.89 119.74 119.83 2jly s LYS 357 Ca 0.00 -0.36 0.04 0.00 0.02 0.00 0.00 55.97 55.68 2jly s LYS 357 Cb 0.00 -3.08 -0.02 0.00 -0.52 0.00 0.00 37.83 34.21 2jly s LYS 357 CO 0.00 0.42 -0.19 0.99 -0.92 0.00 0.00 175.35 175.65 2jly s THR 358 N -0.05 2.66 -0.24 2.17 2.01 -0.11 -0.87 115.64 121.21 2jly s THR 358 Ca 0.06 -0.86 -0.05 0.00 0.31 0.00 0.00 61.69 61.15 2jly s THR 358 Cb -0.12 -2.02 -0.01 0.00 0.01 0.00 0.00 72.50 70.35 2jly s THR 358 CO 0.01 0.58 0.01 -0.69 -0.69 0.00 0.00 174.62 173.83 2jly s VAL 359 N -0.43 3.73 -0.22 3.82 1.01 0.45 -0.55 120.40 128.21 2jly s VAL 359 Ca 0.05 -0.41 -0.03 0.00 0.00 0.00 0.00 61.98 61.59 2jly s VAL 359 Cb -0.12 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.53 2jly s VAL 359 CO 0.02 0.36 -0.07 0.86 0.00 0.00 0.00 175.10 176.28 2jly s TRP 360 N 1.53 2.96 -0.23 5.22 -0.11 0.86 -0.92 118.94 128.24 2jly s TRP 360 Ca 0.06 -1.17 -0.21 0.00 1.22 0.00 0.00 56.10 55.99 2jly s TRP 360 Cb -0.15 -2.07 -0.02 0.00 -1.50 0.00 0.00 33.47 29.73 2jly s TRP 360 CO -0.01 -0.63 0.67 -0.06 -4.62 0.00 0.00 176.95 172.31 2jly s PHE 361 N 1.42 3.32 0.06 5.86 0.40 -0.74 -0.59 117.98 127.71 2jly s PHE 361 Ca 0.04 0.93 0.05 0.00 -0.60 0.00 0.00 56.93 57.35 2jly s PHE 361 Cb -0.15 -2.87 -0.04 0.00 0.51 0.00 0.00 43.02 40.47 2jly s PHE 361 CO -0.05 -0.29 -0.08 0.14 0.70 0.00 0.00 175.22 175.64 2jly s VAL 362 N 2.37 3.50 -0.08 -0.44 -7.23 0.36 -4.45 120.40 114.44 2jly s VAL 362 Ca 0.29 -1.04 0.26 0.00 -1.81 0.00 0.00 61.98 59.68 2jly s VAL 362 Cb -0.16 -2.59 0.29 0.00 0.56 0.00 0.00 36.38 34.49 2jly s VAL 362 CO 0.09 0.24 1.77 1.55 -0.31 0.00 0.00 175.10 178.44 2jly h PRO 363 N 4.02 0.00 -4.00 4.82 0.13 -1.88 -3.39 132.00 131.70 2jly h PRO 363 Ca -0.48 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.53 2jly h PRO 363 Cb 1.17 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.17 2jly h PRO 363 CO 0.53 0.12 -0.39 -1.54 -0.23 0.00 0.00 178.00 176.49 2jly s SER 364 N -6.07 0.10 0.18 1.44 1.04 -1.26 -4.82 113.70 104.31 2jly s SER 364 Ca 0.03 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.53 2jly s SER 364 Cb 0.08 0.40 0.07 0.00 0.10 0.00 0.00 66.02 66.68 2jly s SER 364 CO 0.63 -0.85 1.44 0.40 0.98 0.00 0.00 173.24 175.83 2jly h ILE 365 N 2.62 1.40 0.15 -1.02 2.04 -1.97 -1.50 117.51 119.23 2jly h ILE 365 Ca -0.32 -2.21 0.01 0.00 1.00 0.00 0.00 64.86 63.33 2jly h ILE 365 Cb 1.22 2.17 -0.02 0.00 -0.74 0.00 0.00 36.82 39.45 2jly h ILE 365 CO 0.51 0.66 -0.20 0.50 0.00 0.00 0.00 178.15 179.61 2jly h LYS 366 N 0.23 -0.40 -0.67 2.37 3.64 -1.99 0.17 116.57 119.91 2jly h LYS 366 Ca -0.03 0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 2jly h LYS 366 Cb 1.32 0.09 -0.03 0.00 -0.41 0.00 0.00 32.23 33.20 2jly h LYS 366 CO 0.12 -0.27 0.22 0.00 -2.27 0.00 0.00 179.45 177.26 2jly h ALA 367 N 0.36 1.13 -0.60 5.00 0.00 -1.92 -2.53 119.26 120.70 2jly h ALA 367 Ca 0.01 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.71 2jly h ALA 367 Cb 0.41 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2jly h ALA 367 CO -0.08 0.61 0.33 0.78 0.00 0.00 0.00 179.25 180.88 2jly h GLY 368 N 1.06 0.88 0.85 0.00 0.00 -0.93 -2.15 103.07 102.79 2jly h GLY 368 Ca 0.22 -0.38 -0.01 0.00 0.00 0.00 0.00 47.33 47.16 2jly h GLY 368 CO -0.01 0.37 -0.10 3.43 0.00 0.00 0.00 176.54 180.23 2jly h ASN 369 N 0.83 -0.23 1.23 0.19 2.35 -0.25 -1.39 115.58 118.32 2jly h ASN 369 Ca 0.21 -0.11 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 2jly h ASN 369 Cb 0.02 0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.45 2jly h ASN 369 CO -0.03 -0.03 0.00 -0.90 -1.65 0.00 0.00 177.43 174.81 2jly n ASP 370 N -5.14 0.71 0.10 5.81 5.75 -1.11 -1.83 116.55 120.84 2jly n ASP 370 Ca -0.09 0.59 -0.22 0.00 -0.01 0.00 0.00 54.79 55.06 2jly n ASP 370 Cb 0.18 -0.78 -0.15 0.00 -1.03 0.00 0.00 41.12 39.35 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 1.14 -0.27 2.12 2.04 -1.40 -3.25 117.51 117.90 2jly h ILE 371 Ca 0.00 -2.68 -0.17 0.00 1.00 0.00 0.00 64.86 63.01 2jly h ILE 371 Cb 0.62 2.87 -0.00 0.00 -0.74 0.00 0.00 36.82 39.57 2jly h ILE 371 CO 0.00 0.84 -0.52 0.00 0.00 0.00 0.00 178.15 178.47 2jly h ALA 372 N 0.24 0.58 0.00 1.87 0.00 -1.01 -2.16 119.26 118.79 2jly h ALA 372 Ca -0.28 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.09 2jly h ALA 372 Cb 2.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.80 2jly h ALA 372 CO 0.21 0.68 -0.18 -2.95 0.00 0.00 0.00 179.25 177.02 2jly h ASN 373 N 0.59 0.00 0.06 0.00 -1.07 -1.54 -2.12 115.58 111.50 2jly h ASN 373 Ca 0.02 0.00 -0.16 0.00 0.07 0.00 0.00 56.30 56.23 2jly h ASN 373 Cb 1.09 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.34 2jly h ASN 373 CO 0.11 0.18 -0.56 0.00 0.07 0.00 0.00 177.43 177.23 2jly h LEU 375 N 0.40 0.70 -0.96 0.00 3.38 -1.24 -3.33 115.31 114.25 2jly h LEU 375 Ca 0.01 -0.49 -0.08 0.00 0.09 0.00 0.00 57.88 57.41 2jly h LEU 375 Cb 1.10 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.62 2jly h LEU 375 CO 0.10 1.27 -0.08 0.03 0.09 0.00 0.00 178.44 179.85 2jly h ARG 376 N 0.37 0.67 0.00 1.13 3.08 -1.40 -1.98 114.38 116.24 2jly h ARG 376 Ca -0.06 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 59.80 2jly h ARG 376 Cb 1.44 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.42 2jly h ARG 376 CO 0.15 0.74 0.00 0.36 -1.07 0.00 0.00 179.97 180.15 2jly n LYS 377 N -4.20 0.36 -0.56 0.04 2.85 -1.15 -0.53 118.16 114.97 2jly n LYS 377 Ca 0.01 0.08 0.10 0.00 -1.05 0.00 0.00 58.31 57.45 2jly n LYS 377 Cb 0.33 -1.50 0.35 0.00 -0.65 0.00 0.00 35.03 33.55 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 -1.17 4.58 -1.54 -5.58 7.64 -0.76 -4.94 113.62 111.85 2jly n SER 378 Ca 0.10 -2.37 -0.11 0.00 1.01 0.00 0.00 58.87 57.49 2jly n SER 378 Cb 0.10 -0.55 0.01 0.00 -1.01 0.00 0.00 64.21 62.76 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 1.17 0.01 3.84 0.23 0.00 0.31 -5.03 105.19 105.72 2jly n GLY 379 Ca 0.25 -0.35 -0.36 0.00 0.00 0.00 0.00 46.02 45.56 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 -4.94 3.35 -0.50 1.61 2.47 -1.15 -5.03 119.74 115.56 2jly s LYS 380 Ca 0.11 -0.20 -0.24 0.00 -1.56 0.00 0.00 55.97 54.07 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 0.13 0.76 0.90 1.03 0.16 0.00 0.00 175.35 178.33 2jly s ARG 381 N -1.06 3.42 -0.13 4.03 0.52 -1.26 -4.28 118.95 120.19 2jly s ARG 381 Ca 0.15 -0.07 0.02 0.00 -0.52 0.00 0.00 55.73 55.31 2jly s ARG 381 Cb -0.12 -3.98 -0.00 0.00 0.52 0.00 0.00 34.95 31.37 2jly s ARG 381 CO 0.05 -1.31 -0.19 0.08 0.02 0.00 0.00 175.30 173.95 2jly s VAL 382 N 3.73 2.42 -0.17 3.52 1.01 -1.26 -0.71 120.40 128.95 2jly s VAL 382 Ca 0.33 -0.88 -0.04 0.00 0.00 0.00 0.00 61.98 61.39 2jly s VAL 382 Cb -0.12 -1.98 -0.03 0.00 0.00 0.00 0.00 36.38 34.26 2jly s VAL 382 CO 0.23 0.54 -0.02 -0.63 0.00 0.00 0.00 175.10 175.21 2jly s ILE 383 N 0.53 3.96 -0.26 2.22 1.01 -0.06 -5.00 121.20 123.59 2jly s ILE 383 Ca -0.12 -0.33 -0.10 0.00 0.00 0.00 0.00 60.65 60.10 2jly s ILE 383 Cb -0.17 -2.75 -0.05 0.00 0.01 0.00 0.00 42.46 39.51 2jly s ILE 383 CO 0.04 0.48 0.15 -1.10 0.00 0.00 0.00 174.94 174.51 2jly s GLN 384 N 0.50 3.92 -0.13 2.79 -0.21 -1.26 -0.63 119.66 124.64 2jly s GLN 384 Ca -0.02 -0.34 0.00 0.00 0.02 0.00 0.00 55.36 55.02 2jly s GLN 384 Cb -0.14 -3.54 -0.01 0.00 1.00 0.00 0.00 33.01 30.31 2jly s GLN 384 CO 0.02 -0.10 -0.14 -0.51 -2.12 0.00 0.00 175.29 172.45 2jly s LEU 385 N 1.49 2.67 0.00 2.90 1.43 -0.49 -4.77 118.68 121.90 2jly s LEU 385 Ca 0.07 -0.35 -0.20 0.00 -1.03 0.00 0.00 54.13 52.62 2jly s LEU 385 Cb -0.15 -1.60 0.07 0.00 0.03 0.00 0.00 46.19 44.54 2jly s LEU 385 CO 0.07 0.16 0.97 -1.54 0.23 0.00 0.00 176.35 176.24 2jly n SER 386 N 3.57 -1.75 0.19 2.29 3.41 -1.26 -1.96 113.62 118.10 2jly n SER 386 Ca -0.18 -1.96 0.15 0.00 -0.26 0.00 0.00 58.87 56.62 2jly n SER 386 Cb 0.53 2.85 0.77 0.00 -0.26 0.00 0.00 64.21 68.10 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 -0.89 114.38 115.93 2jly h ARG 387 Ca -0.27 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.60 2jly h ARG 387 Cb 1.16 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.21 2jly h ARG 387 CO 0.36 0.00 -1.33 0.87 0.10 0.00 0.00 179.97 179.97 2jly h LYS 388 N 0.00 0.00 -0.03 0.08 1.57 -1.98 -3.37 116.57 112.84 2jly h LYS 388 Ca 0.09 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.87 2jly h LYS 388 Cb 0.41 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.72 2jly h LYS 388 CO -0.00 0.49 0.00 0.25 -0.57 0.00 0.00 179.45 179.62 2jly n THR 389 N -3.05 0.26 -0.21 -0.16 -2.24 -1.06 -4.80 114.28 103.02 2jly n THR 389 Ca -0.09 -0.63 -0.01 0.00 -2.27 0.00 0.00 64.05 61.05 2jly n THR 389 Cb 0.91 0.93 0.06 0.00 -2.10 0.00 0.00 70.33 70.13 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 0.74 -0.39 -0.35 4.78 3.57 -1.33 -2.46 116.94 121.50 2jly h PHE 390 Ca 0.00 0.06 0.02 0.00 3.53 0.00 0.00 57.97 61.58 2jly h PHE 390 Cb 0.27 0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 2jly h PHE 390 CO 0.02 -0.28 0.18 -0.44 -2.23 0.00 0.00 178.31 175.56 2jly h ASP 391 N -0.02 0.26 0.90 0.41 3.32 -1.87 -0.12 116.42 119.30 2jly h ASP 391 Ca 0.30 0.02 -0.07 0.00 0.02 0.00 0.00 57.03 57.29 2jly h ASP 391 Cb 0.47 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 2jly h ASP 391 CO -0.65 0.19 -1.14 0.71 -1.72 0.00 0.00 179.24 176.63 2jly h THR 392 N 0.37 0.21 0.01 0.35 1.35 -1.94 -3.41 112.91 109.85 2jly h THR 392 Ca 0.15 -1.41 -0.34 0.00 -0.55 0.00 0.00 66.41 64.26 2jly h THR 392 Cb 0.05 1.73 -0.06 0.00 -1.73 0.00 0.00 68.15 68.15 2jly h THR 392 CO -0.10 0.12 -2.12 -0.62 -0.25 0.00 0.00 175.52 172.55 2jly n GLU 393 N -2.78 0.67 -0.15 4.72 -0.58 -0.93 -4.36 120.64 117.23 2jly n GLU 393 Ca -0.04 0.14 -0.05 0.00 -0.42 0.00 0.00 57.16 56.80 2jly n GLU 393 Cb 0.67 -1.64 0.13 0.00 -0.57 0.00 0.00 31.44 30.03 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 0.01 0.95 0.00 -0.32 3.20 -1.23 -1.70 116.97 117.88 2jly h TYR 394 Ca -0.45 -0.13 -0.01 0.00 3.14 0.00 0.00 58.73 61.29 2jly h TYR 394 Cb 2.11 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 40.11 2jly h TYR 394 CO 0.01 0.84 -0.03 -1.35 -1.64 0.00 0.00 178.16 175.99 2jly h PRO 395 N 0.84 0.00 0.00 1.82 0.11 -1.80 -2.70 132.00 130.28 2jly h PRO 395 Ca 0.17 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 66.20 2jly h PRO 395 Cb 0.43 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.52 2jly h PRO 395 CO 0.01 0.03 -0.38 0.87 -0.21 0.00 0.00 178.00 178.32 2jly h LYS 396 N 0.00 0.00 0.00 1.05 1.57 -1.51 -2.68 116.57 115.00 2jly h LYS 396 Ca -0.00 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.69 2jly h LYS 396 Cb 0.09 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2jly h LYS 396 CO 0.00 0.38 -0.43 1.79 -0.57 0.00 0.00 179.45 180.63 2jly h THR 397 N 0.00 1.05 0.00 -0.16 1.35 -1.37 -3.00 112.91 110.78 2jly h THR 397 Ca -0.00 -1.62 0.00 0.00 -0.55 0.00 0.00 66.41 64.24 2jly h THR 397 Cb 0.99 1.94 0.00 0.00 -1.73 0.00 0.00 68.15 69.35 2jly h THR 397 CO 0.05 0.42 0.00 0.29 -0.25 0.00 0.00 175.52 176.03 2jly n LYS 398 N -3.65 0.95 -4.21 4.72 4.76 -1.01 -4.81 118.16 114.91 2jly n LYS 398 Ca -0.01 0.00 -0.13 0.00 -2.87 0.00 0.00 58.31 55.30 2jly n LYS 398 Cb 0.52 -1.02 -0.09 0.00 -1.84 0.00 0.00 35.03 32.59 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 0.00 1.26 0.00 -0.35 1.43 -1.13 -5.05 118.68 114.83 2jly s LEU 399 Ca 0.00 -1.46 0.26 0.00 -1.03 0.00 0.00 54.13 51.91 2jly s LEU 399 Cb 0.00 0.45 0.78 0.00 0.03 0.00 0.00 46.19 47.45 2jly s LEU 399 CO 0.00 -0.90 1.58 1.07 0.23 0.00 0.00 176.35 178.34 2jly n THR 400 N -0.35 0.00 -0.91 5.49 5.66 -1.26 -4.54 114.28 118.37 2jly n THR 400 Ca 0.03 -0.09 -0.22 0.00 -3.05 0.00 0.00 64.05 60.72 2jly n THR 400 Cb 0.65 0.27 0.11 0.00 -1.55 0.00 0.00 70.33 69.82 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 -0.91 4.89 -4.06 1.09 2.03 -1.26 -4.90 116.55 113.43 2jly n ASP 401 Ca 0.11 -3.36 -0.10 0.00 0.52 0.00 0.00 54.79 51.96 2jly n ASP 401 Cb 0.33 -0.86 -0.11 0.00 -0.72 0.00 0.00 41.12 39.77 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 -2.76 0.52 -0.16 -0.67 1.48 -1.26 -4.90 118.94 111.18 2jly s TRP 402 Ca 0.47 -0.70 -0.05 0.00 -1.06 0.00 0.00 56.10 54.76 2jly s TRP 402 Cb 0.39 -0.34 -0.08 0.00 -1.16 0.00 0.00 33.47 32.27 2jly s TRP 402 CO 0.05 -0.20 -0.19 -0.25 -4.06 0.00 0.00 176.95 172.31 2jly n ASP 403 N 0.97 1.81 -4.18 -2.66 8.00 0.12 -4.87 116.55 115.74 2jly n ASP 403 Ca -0.20 0.09 -0.28 0.00 0.71 0.00 0.00 54.79 55.12 2jly n ASP 403 Cb 0.57 -0.40 -0.16 0.00 -0.02 0.00 0.00 41.12 41.11 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 -2.31 1.92 -0.29 1.24 0.08 -0.62 -0.94 117.98 117.05 2jly s PHE 404 Ca -0.23 -0.54 -0.07 0.00 0.12 0.00 0.00 56.93 56.22 2jly s PHE 404 Cb 0.08 -1.27 0.01 0.00 -0.57 0.00 0.00 43.02 41.26 2jly s PHE 404 CO 0.32 -0.16 0.08 0.08 -0.10 0.00 0.00 175.22 175.44 2jly s VAL 405 N -0.08 4.01 -0.42 -0.44 1.01 0.29 -0.88 120.40 123.89 2jly s VAL 405 Ca -0.02 -0.66 -0.16 0.00 0.00 0.00 0.00 61.98 61.13 2jly s VAL 405 Cb -0.12 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.23 2jly s VAL 405 CO 0.02 0.09 0.36 -0.69 0.00 0.00 0.00 175.10 174.88 2jly s VAL 406 N 1.51 5.19 0.06 2.92 1.01 0.19 -0.10 120.40 131.19 2jly s VAL 406 Ca 0.03 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.50 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 0.00 175.10 174.89 2jly s THR 407 N 1.86 1.13 0.05 3.92 -1.32 0.24 -1.40 115.64 120.13 2jly s THR 407 Ca 0.08 -1.21 -0.01 0.00 -1.21 0.00 0.00 61.69 59.34 2jly s THR 407 Cb -0.18 -1.07 0.01 0.00 -1.51 0.00 0.00 72.50 69.75 2jly s THR 407 CO 0.11 -0.14 0.07 0.35 -2.21 0.00 0.00 174.62 172.80 2jly n THR 408 N 1.48 0.00 1.06 5.08 -2.24 -0.83 -0.49 114.28 118.34 2jly n THR 408 Ca -0.20 -0.05 0.02 0.00 -2.27 0.00 0.00 64.05 61.54 2jly n THR 408 Cb 0.54 -1.90 0.11 0.00 -2.10 0.00 0.00 70.33 66.99 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 -3.04 0.00 0.24 3.42 8.00 -1.26 -2.82 116.55 121.08 2jly n ASP 409 Ca 0.01 -0.94 0.07 0.00 0.71 0.00 0.00 54.79 54.64 2jly n ASP 409 Cb 0.03 0.00 0.56 0.00 -0.02 0.00 0.00 41.12 41.69 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 1.04 -0.31 0.53 2.10 -1.91 -2.87 117.51 116.08 2jly h ILE 410 Ca 0.00 -0.47 0.00 0.00 1.08 0.00 0.00 64.86 65.47 2jly h ILE 410 Cb 0.00 1.26 0.00 0.00 -1.09 0.00 0.00 36.82 36.99 2jly h ILE 410 CO 0.00 0.13 0.00 -1.20 -1.08 0.00 0.00 178.15 176.00 2jly n SER 411 N -4.30 3.07 -0.21 2.19 7.64 -1.13 -4.53 113.62 116.35 2jly n SER 411 Ca -0.03 -1.89 0.07 0.00 1.01 0.00 0.00 58.87 58.04 2jly n SER 411 Cb 0.21 -0.20 0.35 0.00 -1.01 0.00 0.00 64.21 63.55 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 3.52 0.75 -6.46 1.43 4.81 -1.68 -3.41 114.58 113.53 2jly h GLU 412 Ca 0.00 -0.04 -0.63 0.00 -0.13 0.00 0.00 59.36 58.55 2jly h GLU 412 Cb 0.83 -0.17 -0.14 0.00 0.63 0.00 0.00 28.75 29.90 2jly h GLU 412 CO 0.00 0.49 -0.72 -1.64 -0.73 0.00 0.00 179.01 176.41 2jly s MET 413 N -5.70 2.10 0.00 1.92 -1.94 -1.26 -3.82 119.30 110.61 2jly s MET 413 Ca -0.10 -1.20 0.00 0.00 -1.71 0.00 0.00 55.69 52.68 2jly s MET 413 Cb 0.20 -2.21 0.00 0.00 2.01 0.00 0.00 34.83 34.83 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 0.17 2.06 3.77 -0.03 0.00 -1.26 -4.55 105.19 105.35 2jly n GLY 414 Ca -0.11 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.30 3.54 -0.72 4.61 0.00 -1.26 -4.89 121.76 122.75 2jly s ALA 415 Ca 0.00 1.37 0.04 0.00 0.00 0.00 0.00 51.96 53.38 2jly s ALA 415 Cb 0.00 -3.53 0.26 0.00 0.00 0.00 0.00 23.12 19.85 2jly s ALA 415 CO 0.00 -0.79 0.87 0.09 0.00 0.00 0.00 175.76 175.93 2jly n ASN 416 N 0.93 4.22 0.22 0.00 3.02 -1.26 -4.80 115.26 117.58 2jly n ASN 416 Ca 0.01 -3.44 0.15 0.00 -0.03 0.00 0.00 54.58 51.28 2jly n ASN 416 Cb 0.41 -0.77 0.68 0.00 -0.61 0.00 0.00 39.78 39.49 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 4.40 0.00 -5.81 3.10 0.04 -1.94 -3.47 116.94 113.27 2jly h PHE 417 Ca 0.20 0.00 -0.41 0.00 2.80 0.00 0.00 57.97 60.56 2jly h PHE 417 Cb 0.65 0.00 0.11 0.00 2.20 0.00 0.00 35.95 38.92 2jly h PHE 417 CO 0.77 0.00 -0.68 2.89 -0.60 0.00 0.00 178.31 180.69 2jly n ARG 418 N -2.66 -7.53 -2.86 1.51 1.85 -1.26 -4.96 116.66 100.75 2jly n ARG 418 Ca 0.00 0.81 -0.19 0.00 -1.00 0.00 0.00 57.85 57.47 2jly n ARG 418 Cb 0.20 -5.84 0.04 0.00 -1.05 0.00 0.00 32.46 25.81 2jly n ARG 418 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2jly s ALA 419 N -3.31 4.29 -0.02 2.89 0.00 -1.26 -4.92 121.76 119.42 2jly s ALA 419 Ca 0.58 -1.68 0.12 0.00 0.00 0.00 0.00 51.96 50.98 2jly s ALA 419 Cb -0.26 -1.77 -0.19 0.00 0.00 0.00 0.00 23.12 20.90 2jly s ALA 419 CO 0.72 -0.67 0.25 0.41 0.00 0.00 0.00 175.76 176.47 2jly n GLY 420 N -2.19 -0.57 2.96 0.00 0.00 -0.05 -4.80 105.19 100.54 2jly n GLY 420 Ca 0.10 -0.29 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.82 0.11 -0.13 1.61 3.52 -0.59 -0.37 118.95 120.28 2jly s ARG 421 Ca -0.05 0.16 -0.01 0.00 -0.13 0.00 0.00 55.73 55.69 2jly s ARG 421 Cb 0.08 0.03 -0.02 0.00 -1.56 0.00 0.00 34.95 33.47 2jly s ARG 421 CO 0.51 -0.03 -0.08 0.08 -0.81 0.00 0.00 175.30 174.97 2jly s VAL 422 N 0.16 3.54 -0.29 7.11 1.01 -0.17 -0.41 120.40 131.34 2jly s VAL 422 Ca -0.01 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.38 2jly s VAL 422 Cb -0.02 -2.51 -0.02 0.00 0.00 0.00 0.00 36.38 33.84 2jly s VAL 422 CO -0.00 0.52 0.13 -0.63 0.00 0.00 0.00 175.10 175.12 2jly s ILE 423 N 0.14 4.59 -0.31 2.22 1.01 -0.10 -0.07 121.20 128.68 2jly s ILE 423 Ca -0.04 -0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.34 2jly s ILE 423 Cb -0.14 -3.27 0.10 0.00 0.01 0.00 0.00 42.46 39.15 2jly s ILE 423 CO 0.04 0.17 0.07 -0.62 0.00 0.00 0.00 174.94 174.60 2jly s ASP 424 N 1.63 4.16 0.36 3.58 2.15 0.12 -1.79 116.67 126.88 2jly s ASP 424 Ca 0.05 -1.70 0.27 0.00 0.43 0.00 0.00 52.55 51.60 2jly s ASP 424 Cb -0.16 -1.07 1.24 0.00 -0.30 0.00 0.00 42.92 42.63 2jly s ASP 424 CO 0.06 -0.39 1.81 -0.65 -0.17 0.00 0.00 175.17 175.83 2jly h PRO 425 N 7.96 0.00 -4.58 4.34 0.11 -1.82 -2.75 132.00 135.26 2jly h PRO 425 Ca -0.12 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 0.03 0.00 0.11 0.00 0.00 31.00 32.16 2jly h PRO 425 CO 0.47 0.00 -0.59 0.54 -0.21 0.00 0.00 178.00 178.21 2jly n ARG 426 N -2.47 -4.43 -4.32 1.05 1.74 -1.26 -4.44 116.66 102.53 2jly n ARG 426 Ca 0.00 0.83 -0.20 0.00 -0.77 0.00 0.00 57.85 57.71 2jly n ARG 426 Cb 0.17 -5.65 -0.11 0.00 -1.02 0.00 0.00 32.46 25.85 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 -5.72 1.25 -0.03 5.56 0.52 -1.26 -1.10 118.95 118.17 2jly s ARG 427 Ca 0.30 -1.45 -0.29 0.00 -0.52 0.00 0.00 55.73 53.77 2jly s ARG 427 Cb -0.14 -1.17 0.10 0.00 0.52 0.00 0.00 34.95 34.26 2jly s ARG 427 CO 0.37 0.22 0.86 0.00 0.02 0.00 0.00 175.30 176.77 2jly s LEU 429 N -2.01 4.52 -0.12 0.00 1.43 -1.26 0.04 118.68 121.28 2jly s LEU 429 Ca 0.01 1.43 0.03 0.00 -1.03 0.00 0.00 54.13 54.57 2jly s LEU 429 Cb -0.01 -3.12 0.01 0.00 0.03 0.00 0.00 46.19 43.10 2jly s LEU 429 CO -0.05 0.18 -0.21 -0.75 0.23 0.00 0.00 176.35 175.75 2jly s LYS 430 N -0.79 2.90 0.09 1.70 2.20 0.35 -4.93 119.74 121.26 2jly s LYS 430 Ca 0.34 -0.82 -0.31 0.00 -0.36 0.00 0.00 55.97 54.82 2jly s LYS 430 Cb -0.21 -2.31 -0.08 0.00 -1.51 0.00 0.00 37.83 33.72 2jly s LYS 430 CO 0.22 0.03 1.42 -1.25 -0.36 0.00 0.00 175.35 175.41 2jly s PRO 431 N 0.71 4.30 -0.07 4.03 0.04 -1.26 0.04 135.00 142.79 2jly s PRO 431 Ca -0.10 2.08 0.04 0.00 0.04 0.00 0.00 61.00 63.05 2jly s PRO 431 Cb -0.16 -3.33 0.00 0.00 0.04 0.00 0.00 34.50 31.05 2jly s PRO 431 CO 0.01 -0.49 -0.19 0.08 0.04 0.00 0.00 177.00 176.45 2jly s VAL 432 N 1.47 1.63 -0.29 -0.36 1.01 -0.26 -0.71 120.40 122.88 2jly s VAL 432 Ca 0.65 -0.78 -0.24 0.00 0.00 0.00 0.00 61.98 61.61 2jly s VAL 432 Cb -0.36 -1.42 -0.00 0.00 0.00 0.00 0.00 36.38 34.60 2jly s VAL 432 CO 0.30 0.46 0.81 -0.63 0.00 0.00 0.00 175.10 176.04 2jly s ILE 433 N 0.35 4.79 -0.05 2.22 1.01 -1.25 -1.29 121.20 126.98 2jly s ILE 433 Ca -0.13 1.31 -0.18 0.00 0.00 0.00 0.00 60.65 61.64 2jly s ILE 433 Cb -0.16 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.12 2jly s ILE 433 CO 0.05 -0.21 0.49 -0.76 0.00 0.00 0.00 174.94 174.51 2jly s LEU 434 N 2.95 4.37 -0.01 2.97 1.43 0.61 -4.97 118.68 126.04 2jly s LEU 434 Ca 0.33 0.95 0.08 0.00 -1.03 0.00 0.00 54.13 54.47 2jly s LEU 434 Cb -0.14 -2.73 -0.12 0.00 0.03 0.00 0.00 46.19 43.23 2jly s LEU 434 CO 0.11 0.12 0.22 0.35 0.23 0.00 0.00 176.35 177.39 2jly n THR 435 N 2.90 0.00 -2.44 5.49 -2.24 -1.26 -2.82 114.28 113.91 2jly n THR 435 Ca -0.09 -0.22 -0.43 0.00 -2.27 0.00 0.00 64.05 61.04 2jly n THR 435 Cb 0.52 0.51 -0.02 0.00 -2.10 0.00 0.00 70.33 69.23 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 -2.61 6.61 0.00 3.42 1.11 -1.26 -4.73 116.67 119.21 2jly s ASP 436 Ca -0.01 1.02 0.00 0.00 0.18 0.00 0.00 52.55 53.74 2jly s ASP 436 Cb 0.05 -2.54 0.00 0.00 1.07 0.00 0.00 42.92 41.50 2jly s ASP 436 CO 0.34 -1.17 0.00 0.61 1.18 0.00 0.00 175.17 176.13 2jly n GLY 437 N 4.52 -1.93 3.73 0.21 0.00 -1.26 -4.88 105.19 105.58 2jly n GLY 437 Ca 0.15 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 44.11 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 2.43 -2.15 1.61 -0.02 -1.26 -4.92 135.00 130.69 2jly n PRO 438 Ca 0.00 0.86 -0.42 0.00 -2.02 0.00 0.00 63.50 61.92 2jly n PRO 438 Cb 0.00 -2.56 -0.03 0.00 -0.02 0.00 0.00 33.50 30.89 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 -1.10 4.33 0.22 -0.52 2.12 -1.26 -4.84 118.70 117.65 2jly s GLU 439 Ca 0.61 2.12 -0.16 0.00 0.36 0.00 0.00 54.97 57.89 2jly s GLU 439 Cb -0.54 -3.20 0.01 0.00 0.26 0.00 0.00 34.13 30.66 2jly s GLU 439 CO 0.55 -0.38 0.52 -0.98 -0.54 0.00 0.00 175.26 174.43 2jly s ARG 440 N 0.50 1.47 -0.10 4.30 1.70 -1.13 -4.64 118.95 121.04 2jly s ARG 440 Ca 0.62 -1.02 -0.01 0.00 -0.47 0.00 0.00 55.73 54.85 2jly s ARG 440 Cb -0.38 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.48 2jly s ARG 440 CO 0.35 -0.62 -0.06 0.08 -1.08 0.00 0.00 175.30 173.96 2jly s VAL 441 N -3.93 3.70 0.34 4.99 1.01 -0.17 -0.28 120.40 126.05 2jly s VAL 441 Ca 0.14 -0.46 0.09 0.00 0.00 0.00 0.00 61.98 61.76 2jly s VAL 441 Cb -0.01 -2.55 -0.06 0.00 0.00 0.00 0.00 36.38 33.76 2jly s VAL 441 CO 0.02 0.56 -0.04 0.27 0.00 0.00 0.00 175.10 175.91 2jly s ILE 442 N -0.29 2.51 -0.44 2.22 -4.36 -0.41 -1.43 121.20 119.00 2jly s ILE 442 Ca 0.04 -2.07 -0.11 0.00 -0.26 0.00 0.00 60.65 58.25 2jly s ILE 442 Cb -0.13 -2.72 0.08 0.00 1.25 0.00 0.00 42.46 40.95 2jly s ILE 442 CO 0.02 -0.22 0.30 -0.76 0.24 0.00 0.00 174.94 174.53 2jly s LEU 443 N -3.67 5.33 0.27 0.37 1.43 -1.26 -1.10 118.68 120.04 2jly s LEU 443 Ca 0.34 -1.52 -0.14 0.00 -1.03 0.00 0.00 54.13 51.78 2jly s LEU 443 Cb 0.00 -2.03 -0.08 0.00 0.03 0.00 0.00 46.19 44.11 2jly s LEU 443 CO 0.18 -0.58 0.66 0.00 0.23 0.00 0.00 176.35 176.84 2jly s ALA 444 N 1.47 3.43 0.00 4.21 0.00 0.11 -4.84 121.76 126.13 2jly s ALA 444 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.95 2jly s ALA 444 Cb -0.24 -2.66 0.00 0.00 0.00 0.00 0.00 23.12 20.23 2jly s ALA 444 CO 0.03 0.39 0.00 0.41 0.00 0.00 0.00 175.76 176.59 2jly n GLY 445 N -0.04 -0.77 3.77 0.00 0.00 -1.26 -0.50 105.19 106.39 2jly n GLY 445 Ca 0.01 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.53 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 4.12 0.27 1.61 0.02 -1.26 -4.98 135.00 134.77 2jly s PRO 446 Ca 0.00 2.56 0.12 0.00 0.02 0.00 0.00 61.00 63.70 2jly s PRO 446 Cb 0.00 -3.00 -0.05 0.00 0.02 0.00 0.00 34.50 31.48 2jly s PRO 446 CO 0.00 -0.57 -0.20 0.96 -0.33 0.00 0.00 177.00 176.86 2jly s ILE 447 N -0.64 2.42 0.45 2.83 -4.36 0.11 -4.80 121.20 117.21 2jly s ILE 447 Ca 0.57 -2.35 -0.23 0.00 -0.26 0.00 0.00 60.65 58.37 2jly s ILE 447 Cb -0.47 -2.26 -0.09 0.00 1.25 0.00 0.00 42.46 40.89 2jly s ILE 447 CO 0.56 -0.38 1.07 -2.65 0.24 0.00 0.00 174.94 173.79 2jly n PRO 448 N -0.50 1.42 -1.61 0.37 -0.02 -1.26 -1.16 135.00 132.24 2jly n PRO 448 Ca -0.06 0.51 -0.30 0.00 -2.02 0.00 0.00 63.50 61.64 2jly n PRO 448 Cb 0.60 -2.15 0.10 0.00 -0.02 0.00 0.00 33.50 32.02 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 -1.30 2.72 0.67 -1.45 -7.23 -0.26 -4.33 120.40 109.21 2jly s VAL 449 Ca 0.65 0.23 -0.14 0.00 -1.81 0.00 0.00 61.98 60.91 2jly s VAL 449 Cb -0.52 -3.02 0.00 0.00 0.56 0.00 0.00 36.38 33.40 2jly s VAL 449 CO 0.55 -0.30 1.10 0.42 -0.31 0.00 0.00 175.10 176.56 2jly s THR 450 N -3.24 3.32 0.41 5.32 -4.23 -1.24 -0.33 115.64 115.65 2jly s THR 450 Ca 0.61 0.58 0.14 0.00 -1.18 0.00 0.00 61.69 61.85 2jly s THR 450 Cb -0.14 -3.11 0.35 0.00 1.34 0.00 0.00 72.50 70.94 2jly s THR 450 CO 0.53 -0.41 1.92 -0.65 -0.54 0.00 0.00 174.62 175.47 2jly h PRO 451 N -0.12 0.45 -0.64 3.99 0.11 -1.85 -1.92 132.00 132.03 2jly h PRO 451 Ca -0.46 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.53 2jly h PRO 451 Cb 1.24 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2jly h PRO 451 CO 0.54 0.30 0.05 0.00 -0.21 0.00 0.00 178.00 178.68 2jly h ALA 452 N 1.64 0.85 -0.32 -0.75 0.00 -1.88 -1.56 119.26 117.25 2jly h ALA 452 Ca 0.37 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2jly h ALA 452 Cb 0.78 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2jly h ALA 452 CO -0.13 0.66 -0.01 0.77 0.00 0.00 0.00 179.25 180.55 2jly h SER 453 N 1.00 0.56 -0.38 0.00 0.02 -1.79 -1.17 113.55 111.79 2jly h SER 453 Ca 0.19 -0.32 0.03 0.00 -0.84 0.00 0.00 61.79 60.85 2jly h SER 453 Cb 0.51 -0.15 -0.03 0.00 0.14 0.00 0.00 62.40 62.87 2jly h SER 453 CO 0.02 0.74 0.19 0.00 -1.14 0.00 0.00 176.83 176.65 2jly h ALA 454 N 0.84 0.47 -0.95 3.77 0.00 -1.36 -1.53 119.26 120.49 2jly h ALA 454 Ca 0.09 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.03 2jly h ALA 454 Cb 0.46 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2jly h ALA 454 CO 0.02 -0.17 0.63 0.00 0.00 0.00 0.00 179.25 179.72 2jly h ALA 455 N 1.19 1.24 -0.38 0.00 0.00 -1.21 -0.77 119.26 119.33 2jly h ALA 455 Ca 0.16 -0.05 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 2jly h ALA 455 Cb 0.06 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 2jly h ALA 455 CO -0.11 0.55 -0.12 1.96 0.00 0.00 0.00 179.25 181.53 2jly h GLN 456 N 1.24 0.75 -0.51 0.00 1.08 -0.97 -1.27 115.11 115.44 2jly h GLN 456 Ca 0.37 -0.30 -0.11 0.00 -1.45 0.00 0.00 58.65 57.16 2jly h GLN 456 Cb -0.07 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.31 2jly h GLN 456 CO -0.10 0.91 -0.10 0.00 -0.95 0.00 0.00 178.83 178.59 2jly h ARG 457 N 0.56 0.96 0.00 1.46 3.08 -1.15 -2.50 114.38 116.79 2jly h ARG 457 Ca 0.09 -0.36 -0.06 0.00 0.07 0.00 0.00 59.98 59.73 2jly h ARG 457 Cb 0.65 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.63 2jly h ARG 457 CO 0.04 1.02 -0.29 -0.09 -1.07 0.00 0.00 179.97 179.59 2jly h ARG 458 N 0.83 0.00 0.00 0.04 2.43 -1.15 -2.94 114.38 113.58 2jly h ARG 458 Ca 0.13 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.30 2jly h ARG 458 Cb 0.65 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.20 2jly h ARG 458 CO 0.05 0.29 0.00 0.41 -1.51 0.00 0.00 179.97 179.21 2jly n GLY 459 N -0.67 -0.94 0.22 2.80 0.00 -0.48 -2.50 105.19 103.62 2jly n GLY 459 Ca -0.02 -0.04 0.08 0.00 0.00 0.00 0.00 46.02 46.03 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 -5.42 1.61 2.47 -1.50 -3.45 114.38 108.09 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 0.22 0.00 -0.12 0.00 -1.65 0.00 0.00 29.97 28.42 2jly h ARG 460 CO 0.00 0.24 -0.50 0.96 0.56 0.00 0.00 179.97 181.23 2jly s ILE 461 N -4.15 1.44 -1.15 2.04 -5.25 -1.04 -4.62 121.20 108.48 2jly s ILE 461 Ca -0.02 -1.91 0.00 0.00 -0.99 0.00 0.00 60.65 57.73 2jly s ILE 461 Cb 0.13 -2.35 0.00 0.00 2.95 0.00 0.00 42.46 43.20 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 -1.29 0.91 0.07 6.27 0.00 -1.26 -4.93 105.19 104.97 2jly n GLY 462 Ca -0.13 -0.48 0.04 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.52 0.64 -3.30 1.61 1.74 -1.26 -0.82 116.66 112.75 2jly n ARG 463 Ca -0.12 0.04 -0.43 0.00 -0.77 0.00 0.00 57.85 56.57 2jly n ARG 463 Cb 0.43 -1.68 -0.08 0.00 -1.02 0.00 0.00 32.46 30.11 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 -5.27 6.21 0.64 0.55 3.84 -1.26 -4.72 114.94 114.93 2jly s ASN 464 Ca -0.05 -0.59 0.41 0.00 0.21 0.00 0.00 52.86 52.84 2jly s ASN 464 Cb 0.10 -2.23 2.15 0.00 -0.55 0.00 0.00 41.25 40.72 2jly s ASN 464 CO 0.84 -0.59 2.28 -0.65 -2.79 0.00 0.00 177.10 176.19 2jly h PRO 465 N 8.73 0.00 0.00 0.43 0.11 -1.88 -0.69 132.00 138.70 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 0.80 0.01 -0.39 0.00 -0.21 0.00 0.00 178.00 178.21 2jly n ALA 466 N -2.10 3.00 -3.71 -0.75 0.00 -1.26 -4.72 120.51 110.97 2jly n ALA 466 Ca -0.02 -0.24 -0.35 0.00 0.00 0.00 0.00 53.44 52.83 2jly n ALA 466 Cb 0.13 -1.24 -0.13 0.00 0.00 0.00 0.00 19.45 18.20 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 -3.06 2.26 0.00 0.00 0.74 -0.27 -5.00 119.66 114.34 2jly s GLN 467 Ca 0.10 -1.43 0.18 0.00 0.05 0.00 0.00 55.36 54.26 2jly s GLN 467 Cb 0.16 -3.26 -0.10 0.00 1.10 0.00 0.00 33.01 30.91 2jly s GLN 467 CO 0.66 -0.74 0.85 0.39 -0.55 0.00 0.00 175.29 175.90 2jly n GLU 468 N 4.58 1.34 -0.89 1.67 1.02 -1.26 -4.52 120.64 122.58 2jly n GLU 468 Ca -0.10 -0.45 -0.06 0.00 -0.02 0.00 0.00 57.16 56.54 2jly n GLU 468 Cb 0.43 -1.34 0.19 0.00 -0.02 0.00 0.00 31.44 30.69 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 -0.74 2.67 -4.71 1.62 5.75 -1.26 -4.38 116.55 115.49 2jly n ASP 469 Ca 0.06 -3.81 -0.35 0.00 -0.01 0.00 0.00 54.79 50.68 2jly n ASP 469 Cb 0.33 -0.63 0.10 0.00 -1.03 0.00 0.00 41.12 39.90 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 -2.63 4.08 0.02 -1.12 1.11 -1.26 -4.85 116.67 112.02 2jly s ASP 470 Ca 0.45 2.50 0.06 0.00 0.18 0.00 0.00 52.55 55.74 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 -2.35 -0.17 -1.10 1.18 0.00 0.00 175.17 172.72 2jly s GLN 471 N -3.76 1.21 -0.27 8.23 -0.21 0.50 -1.31 119.66 124.06 2jly s GLN 471 Ca 0.78 -0.74 0.02 0.00 0.02 0.00 0.00 55.36 55.45 2jly s GLN 471 Cb -0.33 -1.23 0.07 0.00 1.00 0.00 0.00 33.01 32.52 2jly s GLN 471 CO 0.45 0.32 -0.05 -0.47 -2.12 0.00 0.00 175.29 173.42 2jly s TYR 472 N -0.65 2.99 -0.32 0.91 5.04 -0.14 -1.00 117.35 124.19 2jly s TYR 472 Ca 0.05 -2.24 -0.12 0.00 -2.44 0.00 0.00 57.07 52.33 2jly s TYR 472 Cb -0.07 -1.99 -0.03 0.00 0.35 0.00 0.00 41.96 40.21 2jly s TYR 472 CO 0.01 -0.86 0.21 0.08 -1.34 0.00 0.00 175.55 173.65 2jly s VAL 473 N 1.19 5.24 0.35 3.14 1.01 0.90 -0.61 120.40 131.61 2jly s VAL 473 Ca -0.03 -0.09 0.04 0.00 0.00 0.00 0.00 61.98 61.90 2jly s VAL 473 Cb -0.19 -3.61 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 2jly s VAL 473 CO -0.07 0.09 0.06 0.72 0.00 0.00 0.00 175.10 175.90 2jly s PHE 474 N 1.73 1.98 -0.07 5.22 -0.71 0.04 0.10 117.98 126.26 2jly s PHE 474 Ca 0.06 -0.98 -0.03 0.00 -1.04 0.00 0.00 56.93 54.95 2jly s PHE 474 Cb -0.17 -1.32 0.04 0.00 -1.21 0.00 0.00 43.02 40.36 2jly s PHE 474 CO 0.10 0.01 0.14 0.45 -1.34 0.00 0.00 175.22 174.58 2jly s SER 475 N -3.53 0.83 0.00 1.98 0.15 -1.04 -1.49 113.70 110.60 2jly s SER 475 Ca 0.34 0.28 0.00 0.00 0.70 0.00 0.00 55.95 57.27 2jly s SER 475 Cb 0.08 0.19 0.00 0.00 -1.71 0.00 0.00 66.02 64.57 2jly s SER 475 CO 0.15 -0.24 0.00 0.61 1.20 0.00 0.00 173.24 174.96 2jly n GLY 476 N 5.31 -1.08 3.85 9.45 0.00 -1.26 -4.43 105.19 117.03 2jly n GLY 476 Ca -0.04 -1.62 -0.32 0.00 0.00 0.00 0.00 46.02 44.03 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 -3.34 6.60 0.82 1.61 -0.00 -1.26 -5.02 116.67 116.08 2jly s ASP 477 Ca 0.00 1.52 -0.12 0.00 -0.00 0.00 0.00 52.55 53.95 2jly s ASP 477 Cb 0.00 -2.49 0.09 0.00 -0.00 0.00 0.00 42.92 40.52 2jly s ASP 477 CO 0.00 -0.58 1.11 -2.84 -0.00 0.00 0.00 175.17 172.86 2jly s PRO 478 N -4.09 1.86 -0.23 8.23 0.02 -1.26 -4.75 135.00 134.78 2jly s PRO 478 Ca 0.58 0.55 0.02 0.00 0.02 0.00 0.00 61.00 62.17 2jly s PRO 478 Cb -0.10 -1.90 0.05 0.00 0.02 0.00 0.00 34.50 32.57 2jly s PRO 478 CO 0.32 -1.75 -0.10 -1.17 -0.33 0.00 0.00 177.00 173.96 2jly s LEU 479 N -5.83 2.84 0.14 -5.54 0.20 0.55 -4.90 118.68 106.14 2jly s LEU 479 Ca 0.61 -1.15 -0.02 0.00 0.69 0.00 0.00 54.13 54.26 2jly s LEU 479 Cb -0.14 -1.38 -0.05 0.00 -0.43 0.00 0.00 46.19 44.19 2jly s LEU 479 CO 0.54 -0.17 1.34 0.50 -0.29 0.00 0.00 176.35 178.27 2jly h LYS 480 N 7.88 0.36 -6.45 1.98 3.64 -1.93 -3.29 116.57 118.76 2jly h LYS 480 Ca -0.24 -0.37 -0.55 0.00 -1.27 0.00 0.00 60.65 58.22 2jly h LYS 480 Cb 1.07 0.10 -0.06 0.00 -0.41 0.00 0.00 32.23 32.93 2jly h LYS 480 CO 0.47 1.05 1.09 1.21 -2.27 0.00 0.00 179.45 181.00 2jly s ASN 481 N -7.03 6.19 -0.15 4.20 3.84 -1.26 -4.82 114.94 115.91 2jly s ASN 481 Ca -0.05 0.41 0.14 0.00 0.21 0.00 0.00 52.86 53.57 2jly s ASN 481 Cb 0.09 -2.54 0.37 0.00 -0.55 0.00 0.00 41.25 38.62 2jly s ASN 481 CO 0.85 -1.63 1.19 -0.90 -2.79 0.00 0.00 177.10 173.82 2jly n ASP 482 N 9.35 1.68 0.17 -4.21 5.75 -1.26 -4.82 116.55 123.21 2jly n ASP 482 Ca 0.13 -3.39 0.12 0.00 -0.01 0.00 0.00 54.79 51.65 2jly n ASP 482 Cb 0.49 -0.46 0.67 0.00 -1.03 0.00 0.00 41.12 40.79 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 0.73 0.00 -0.01 0.11 5.08 -1.87 -1.60 114.58 117.02 2jly h GLU 483 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2jly h GLU 483 Cb 1.14 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.39 2jly h GLU 483 CO 0.01 0.00 -0.09 -0.40 -1.00 0.00 0.00 179.01 177.53 2jly n ASP 484 N -4.45 0.62 -4.74 1.42 5.75 -1.26 -4.80 116.55 109.10 2jly n ASP 484 Ca 0.01 -0.81 -0.41 0.00 -0.01 0.00 0.00 54.79 53.57 2jly n ASP 484 Cb 0.27 -0.03 -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 -2.33 3.16 0.32 2.11 2.46 -0.60 -3.96 115.29 116.45 2jly s HIS 485 Ca 0.33 1.08 0.36 0.00 0.47 0.00 0.00 55.06 57.30 2jly s HIS 485 Cb 0.20 -3.71 1.93 0.00 -0.13 0.00 0.00 32.58 30.87 2jly s HIS 485 CO 0.44 -2.32 2.11 0.00 -2.47 0.00 0.00 174.74 172.51 2jly h ALA 486 N 5.55 1.00 0.00 1.58 0.00 -1.24 -3.19 119.26 122.96 2jly h ALA 486 Ca -0.45 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2jly h ALA 486 Cb 1.21 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.00 2jly h ALA 486 CO 0.80 0.00 -0.04 1.12 0.00 0.00 0.00 179.25 181.13 2jly h HIS 487 N 0.00 0.00 0.07 0.00 2.07 -1.89 -1.22 115.15 114.19 2jly h HIS 487 Ca 0.00 0.00 -0.28 0.00 -2.85 0.00 0.00 60.37 57.24 2jly h HIS 487 Cb 0.06 0.00 0.02 0.00 2.57 0.00 0.00 27.41 30.07 2jly h HIS 487 CO 0.00 0.04 -1.15 -1.49 -3.07 0.00 0.00 177.93 172.25 2jly h TRP 488 N 0.00 0.98 -0.19 6.12 4.06 -1.88 -1.20 115.95 123.84 2jly h TRP 488 Ca -0.00 -0.58 -0.07 0.00 2.06 0.00 0.00 58.89 60.30 2jly h TRP 488 Cb 0.31 -0.09 -0.00 0.00 -1.00 0.00 0.00 29.16 28.38 2jly h TRP 488 CO 0.00 1.42 -0.16 1.15 -3.56 0.00 0.00 178.44 177.28 2jly h THR 489 N 0.31 1.33 -0.68 1.49 2.02 -1.71 -3.14 112.91 112.53 2jly h THR 489 Ca -0.16 -1.31 -0.06 0.00 0.77 0.00 0.00 66.41 65.65 2jly h THR 489 Cb 1.82 1.76 -0.03 0.00 -1.74 0.00 0.00 68.15 69.96 2jly h THR 489 CO 0.22 0.39 0.19 -0.33 0.37 0.00 0.00 175.52 176.37 2jly h GLU 490 N 0.11 1.08 -0.95 6.66 5.08 -1.29 0.95 114.58 126.21 2jly h GLU 490 Ca 0.03 -0.25 0.05 0.00 -1.00 0.00 0.00 59.36 58.20 2jly h GLU 490 Cb 0.70 -0.15 -0.06 0.00 0.50 0.00 0.00 28.75 29.74 2jly h GLU 490 CO 0.04 0.94 0.62 0.00 -1.00 0.00 0.00 179.01 179.62 2jly h ALA 491 N 1.08 1.42 -0.03 3.43 0.00 -1.30 -1.38 119.26 122.49 2jly h ALA 491 Ca 0.22 -0.04 -0.19 0.00 0.00 0.00 0.00 54.91 54.90 2jly h ALA 491 Cb 0.33 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 2jly h ALA 491 CO -0.00 0.46 -0.79 -0.22 0.00 0.00 0.00 179.25 178.70 2jly h LYS 492 N 1.16 0.29 -0.94 0.00 1.63 -1.38 -0.90 116.57 116.43 2jly h LYS 492 Ca 0.39 -0.27 0.04 0.00 -0.85 0.00 0.00 60.65 59.96 2jly h LYS 492 Cb 0.09 0.07 -0.06 0.00 -0.60 0.00 0.00 32.23 31.73 2jly h LYS 492 CO -0.14 0.95 0.61 0.52 -3.45 0.00 0.00 179.45 177.94 2jly h MET 493 N 0.19 1.12 0.08 1.90 2.86 -0.23 -1.43 114.93 119.42 2jly h MET 493 Ca -0.04 -0.07 -0.00 0.00 -2.06 0.00 0.00 59.70 57.53 2jly h MET 493 Cb 1.39 -0.25 0.00 0.00 0.06 0.00 0.00 31.60 32.79 2jly h MET 493 CO 0.13 0.74 -0.04 -0.07 1.06 0.00 0.00 176.91 178.73 2jly h LEU 494 N 1.16 -0.09 -1.77 1.22 3.38 -1.17 -3.36 115.31 114.69 2jly h LEU 494 Ca 0.38 -0.52 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2jly h LEU 494 Cb 0.05 0.02 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 2jly h LEU 494 CO -0.12 0.55 -0.08 0.25 0.09 0.00 0.00 178.44 179.13 2jly h LEU 495 N -0.82 0.04 -0.31 1.67 5.85 -1.12 -0.42 115.31 120.20 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 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.62 2jly h LEU 495 CO 0.02 0.13 0.00 0.47 -0.34 0.00 0.00 178.44 178.72 2jly n ASP 496 N -4.42 0.25 -0.22 1.25 8.00 -0.55 -2.42 116.55 118.44 2jly n ASP 496 Ca -0.02 0.57 0.03 0.00 0.71 0.00 0.00 54.79 56.08 2jly n ASP 496 Cb 0.17 -0.62 0.07 0.00 -0.02 0.00 0.00 41.12 40.73 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 -1.78 2.39 -4.67 -2.24 3.02 -0.18 -4.37 115.26 107.42 2jly n ASN 497 Ca 0.02 -2.20 -0.35 0.00 -0.03 0.00 0.00 54.58 52.03 2jly n ASN 497 Cb 0.17 -0.15 -0.09 0.00 -0.61 0.00 0.00 39.78 39.10 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 -1.35 4.46 0.04 2.41 1.01 -1.02 -4.85 121.20 121.91 2jly s ILE 498 Ca 0.12 -0.18 0.08 0.00 0.00 0.00 0.00 60.65 60.67 2jly s ILE 498 Cb 0.09 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.62 2jly s ILE 498 CO 0.05 0.57 -0.23 -0.31 0.00 0.00 0.00 174.94 175.02 2jly s TYR 499 N -0.55 2.01 0.49 3.97 1.51 -1.26 -4.12 117.35 119.40 2jly s TYR 499 Ca 0.10 -0.39 -0.18 0.00 -1.01 0.00 0.00 57.07 55.59 2jly s TYR 499 Cb -0.12 -1.21 -0.09 0.00 -0.11 0.00 0.00 41.96 40.43 2jly s TYR 499 CO 0.02 0.09 0.97 0.99 -1.11 0.00 0.00 175.55 176.50 2jly s THR 500 N -0.76 4.50 0.49 -0.71 2.01 0.76 -4.92 115.64 117.01 2jly s THR 500 Ca 0.09 1.27 0.18 0.00 0.31 0.00 0.00 61.69 63.54 2jly s THR 500 Cb -0.09 -3.69 0.32 0.00 0.01 0.00 0.00 72.50 69.06 2jly s THR 500 CO 0.02 -0.58 2.05 1.55 -0.69 0.00 0.00 174.62 176.96 2jly h PRO 501 N 1.21 0.15 -0.17 4.92 0.13 -2.00 0.60 132.00 136.84 2jly h PRO 501 Ca -0.47 -0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 2jly h PRO 501 Cb 1.18 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.27 2jly h PRO 501 CO 0.61 0.10 -0.20 0.93 -0.23 0.00 0.00 178.00 179.21 2jly h GLU 502 N 0.16 0.30 0.00 0.86 3.07 -2.06 -3.46 114.58 113.44 2jly h GLU 502 Ca 0.17 -0.09 0.00 0.00 -0.50 0.00 0.00 59.36 58.94 2jly h GLU 502 Cb 0.45 -0.03 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 2jly h GLU 502 CO -0.02 0.50 0.00 0.41 -1.40 0.00 0.00 179.01 178.49 2jly n GLY 503 N -0.63 0.47 3.69 -3.84 0.00 0.20 -5.12 105.19 99.96 2jly n GLY 503 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 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 -1.38 4.99 -0.08 -0.61 1.01 -1.25 -4.67 121.20 119.21 2jly s ILE 504 Ca 0.00 1.47 -0.30 0.00 0.00 0.00 0.00 60.65 61.82 2jly s ILE 504 Cb 0.00 -4.06 -0.02 0.00 0.01 0.00 0.00 42.46 38.39 2jly s ILE 504 CO 0.00 0.16 1.15 -0.63 0.00 0.00 0.00 174.94 175.62 2jly s ILE 505 N 1.41 4.39 0.73 2.92 1.01 -1.26 -0.17 121.20 130.23 2jly s ILE 505 Ca 0.37 1.70 -0.12 0.00 0.00 0.00 0.00 60.65 62.60 2jly s ILE 505 Cb -0.17 -4.09 0.04 0.00 0.01 0.00 0.00 42.46 38.24 2jly s ILE 505 CO 0.15 -0.02 1.10 -2.84 0.00 0.00 0.00 174.94 173.33 2jly s PRO 506 N 2.30 2.46 0.16 2.79 0.02 -1.26 -5.00 135.00 136.47 2jly s PRO 506 Ca 0.54 1.24 0.06 0.00 0.02 0.00 0.00 61.00 62.86 2jly s PRO 506 Cb -0.23 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.34 2jly s PRO 506 CO 0.20 -1.50 0.02 0.95 -0.33 0.00 0.00 177.00 176.35 2jly s THR 507 N -2.71 3.91 0.48 0.99 -4.23 -1.26 -4.80 115.64 108.02 2jly s THR 507 Ca 0.63 -1.29 -0.23 0.00 -1.18 0.00 0.00 61.69 59.62 2jly s THR 507 Cb -0.18 -2.95 -0.08 0.00 1.34 0.00 0.00 72.50 70.62 2jly s THR 507 CO 0.51 -0.07 1.11 0.18 -0.54 0.00 0.00 174.62 175.81 2jly n LEU 508 N -0.05 3.62 -4.59 4.79 4.77 -1.26 -4.45 117.00 119.84 2jly n LEU 508 Ca -0.10 0.99 -0.50 0.00 -0.03 0.00 0.00 56.01 56.37 2jly n LEU 508 Cb 0.54 -1.43 -0.05 0.00 -2.33 0.00 0.00 43.42 40.15 2jly n LEU 508 CO 0.40 -1.23 0.83 0.33 -1.33 0.00 0.00 177.39 176.39 2jly n PHE 509 N -0.78 1.46 0.00 -1.77 7.35 -1.26 -4.76 117.46 117.71 2jly n PHE 509 Ca 0.10 0.64 0.00 0.00 -0.76 0.00 0.00 57.45 57.42 2jly n PHE 509 Cb 0.42 -2.32 0.00 0.00 0.35 0.00 0.00 39.48 37.93 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 2.32 -0.97 0.20 7.13 0.00 -1.26 -0.41 105.19 112.20 2jly n GLY 510 Ca 0.17 0.18 0.10 0.00 0.00 0.00 0.00 46.02 46.47 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 -0.34 1.61 0.11 -1.99 -2.33 132.00 129.07 2jly h PRO 511 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2jly h PRO 511 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2jly h PRO 511 CO 0.00 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.18 2jly n GLU 512 N -2.31 3.04 -3.17 1.05 1.02 0.45 -4.97 120.64 115.75 2jly n GLU 512 Ca -0.01 -2.56 -0.34 0.00 -0.02 0.00 0.00 57.16 54.22 2jly n GLU 512 Cb 0.23 -1.65 -0.06 0.00 -0.02 0.00 0.00 31.44 29.94 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 -2.06 4.07 -1.48 3.49 0.52 -0.88 -4.26 118.95 118.35 2jly s ARG 513 Ca 0.36 0.69 -0.07 0.00 -0.52 0.00 0.00 55.73 56.19 2jly s ARG 513 Cb 0.26 -2.66 0.02 0.00 0.52 0.00 0.00 34.95 33.09 2jly s ARG 513 CO 0.13 0.29 0.78 0.39 0.02 0.00 0.00 175.30 176.91 2jly n GLU 514 N 0.16 -5.57 0.14 3.54 -0.58 -1.26 -4.87 120.64 112.21 2jly n GLU 514 Ca 0.00 0.81 0.01 0.00 -0.42 0.00 0.00 57.16 57.56 2jly n GLU 514 Cb 0.52 -5.71 0.12 0.00 -0.57 0.00 0.00 31.44 25.81 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 -1.74 0.00 -3.98 3.49 1.79 -1.94 -3.45 116.57 110.73 2jly h LYS 515 Ca -0.53 0.00 -0.11 0.00 -2.18 0.00 0.00 60.65 57.83 2jly h LYS 515 Cb 1.36 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 31.86 2jly h LYS 515 CO 0.57 0.59 -0.53 -0.08 -1.08 0.00 0.00 179.45 178.93 2jly s THR 516 N -3.24 0.17 -0.61 -0.16 -1.32 -1.26 -4.76 115.64 104.46 2jly s THR 516 Ca 0.01 -1.41 -0.26 0.00 -1.21 0.00 0.00 61.69 58.82 2jly s THR 516 Cb 0.10 -1.30 -0.06 0.00 -1.51 0.00 0.00 72.50 69.72 2jly s THR 516 CO 0.75 -0.78 2.20 -1.10 -2.21 0.00 0.00 174.62 173.48 2jly s GLN 517 N -3.59 2.22 0.00 7.08 1.11 -1.26 -4.90 119.66 120.32 2jly s GLN 517 Ca 0.03 0.88 0.00 0.00 0.01 0.00 0.00 55.36 56.29 2jly s GLN 517 Cb 0.05 -4.60 0.00 0.00 -1.01 0.00 0.00 33.01 27.45 2jly s GLN 517 CO -0.09 -3.29 0.00 0.00 0.01 0.00 0.00 175.29 171.92 2jly n ALA 518 N 15.19 0.00 -1.58 6.09 0.00 -1.26 -5.05 120.51 133.89 2jly n ALA 518 Ca 0.33 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.77 2jly n ALA 518 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 2jly n ALA 518 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 2jly n ILE 519 N 0.00 0.00 -1.73 0.00 -5.35 -1.26 -4.87 119.36 106.15 2jly n ILE 519 Ca 0.00 0.00 -0.30 0.00 -0.27 0.00 0.00 62.75 62.18 2jly n ILE 519 Cb 0.00 0.00 0.05 0.00 -1.74 0.00 0.00 39.64 37.95 2jly n ILE 519 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2jly s ASP 520 N 2.00 5.30 -1.58 7.28 1.01 -1.26 -4.76 116.67 124.66 2jly s ASP 520 Ca 0.00 1.32 0.00 0.00 0.71 0.00 0.00 52.55 54.58 2jly s ASP 520 Cb 0.00 -2.16 0.00 0.00 1.01 0.00 0.00 42.92 41.77 2jly s ASP 520 CO 0.00 -1.45 0.00 0.61 0.21 0.00 0.00 175.17 174.54 2jly n GLY 521 N -2.52 1.32 0.18 0.21 0.00 -1.26 -4.89 105.19 98.23 2jly n GLY 521 Ca 0.07 -0.29 0.05 0.00 0.00 0.00 0.00 46.02 45.85 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 0.00 0.00 -0.37 1.61 4.81 -1.89 -3.22 114.58 115.52 2jly h GLU 522 Ca -0.32 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 2jly h GLU 522 Cb 1.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.41 2jly h GLU 522 CO 0.45 0.39 0.00 1.19 -0.73 0.00 0.00 179.01 180.31 2jly n PHE 523 N -3.40 0.80 -1.67 0.92 3.72 -1.26 -5.00 117.46 111.57 2jly n PHE 523 Ca 0.01 -0.65 -0.42 0.00 -0.05 0.00 0.00 57.45 56.33 2jly n PHE 523 Cb 0.57 -0.16 -0.03 0.00 -0.94 0.00 0.00 39.48 38.91 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 0.26 2.88 -4.19 -1.08 5.12 -1.22 -4.70 116.66 113.73 2jly n ARG 524 Ca 0.17 1.05 -0.31 0.00 -1.93 0.00 0.00 57.85 56.84 2jly n ARG 524 Cb 0.67 -3.00 -0.08 0.00 -1.16 0.00 0.00 32.46 28.88 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 4.17 3.43 0.19 0.55 1.43 -1.26 -5.09 118.68 122.11 2jly s LEU 525 Ca 0.88 -0.15 0.01 0.00 -1.03 0.00 0.00 54.13 53.83 2jly s LEU 525 Cb -0.44 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2jly s LEU 525 CO 0.41 0.20 0.36 -0.13 0.23 0.00 0.00 176.35 177.42 2jly s ARG 526 N -2.09 3.49 0.00 1.70 3.00 -1.26 -4.62 118.95 119.17 2jly s ARG 526 Ca 0.24 -0.44 0.00 0.00 0.00 0.00 0.00 55.73 55.53 2jly s ARG 526 Cb -0.12 -2.88 0.00 0.00 0.00 0.00 0.00 34.95 31.96 2jly s ARG 526 CO 0.16 0.43 0.00 0.41 0.00 0.00 0.00 175.30 176.30 2jly n GLY 527 N -0.68 0.66 0.26 -3.53 0.00 -1.26 -0.49 105.19 100.15 2jly n GLY 527 Ca -0.06 0.20 0.14 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.27 1.61 4.11 -2.00 -3.05 114.58 114.97 2jly h GLU 528 Ca 0.00 0.00 -0.14 0.00 0.07 0.00 0.00 59.36 59.29 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 0.11 -0.39 1.96 0.07 0.00 0.00 179.01 180.76 2jly h GLN 529 N 0.00 0.64 -0.51 1.06 4.20 -1.08 -0.93 115.11 118.49 2jly h GLN 529 Ca -0.00 -0.32 -0.12 0.00 0.06 0.00 0.00 58.65 58.27 2jly h GLN 529 Cb 0.41 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.18 2jly h GLN 529 CO 0.01 0.92 -0.15 -0.09 -0.67 0.00 0.00 178.83 178.86 2jly h ARG 530 N 0.53 1.00 -0.50 1.46 2.43 -1.37 -0.23 114.38 117.69 2jly h ARG 530 Ca 0.05 -0.39 -0.06 0.00 -0.81 0.00 0.00 59.98 58.77 2jly h ARG 530 Cb 0.91 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.39 2jly h ARG 530 CO 0.08 1.07 0.09 -0.22 -1.51 0.00 0.00 179.97 179.48 2jly h LYS 531 N 0.86 0.81 -0.41 0.20 3.64 -1.58 -2.30 116.57 117.80 2jly h LYS 531 Ca 0.13 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.27 2jly h LYS 531 Cb 0.72 -0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 2jly h LYS 531 CO 0.06 0.81 0.18 1.15 -2.27 0.00 0.00 179.45 179.37 2jly h THR 532 N 0.69 1.19 -0.45 1.00 2.02 -1.08 -1.17 112.91 115.11 2jly h THR 532 Ca 0.15 -0.57 0.09 0.00 0.77 0.00 0.00 66.41 66.86 2jly h THR 532 Cb 0.38 0.80 -0.09 0.00 -1.74 0.00 0.00 68.15 67.50 2jly h THR 532 CO 0.01 0.21 -0.18 0.15 0.37 0.00 0.00 175.52 176.08 2jly h PHE 533 N 0.52 -0.42 -0.29 3.16 3.57 -0.89 0.23 116.94 122.81 2jly h PHE 533 Ca 0.14 0.05 -0.06 0.00 3.53 0.00 0.00 57.97 61.62 2jly h PHE 533 Cb 0.16 0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2jly h PHE 533 CO -0.00 -0.26 -0.06 0.28 -2.23 0.00 0.00 178.31 176.04 2jly h VAL 534 N -0.08 1.28 -0.77 1.41 2.07 -1.29 -3.03 116.25 115.84 2jly h VAL 534 Ca 0.22 -1.07 0.02 0.00 0.82 0.00 0.00 66.70 66.69 2jly h VAL 534 Cb 0.41 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.52 2jly h VAL 534 CO -0.51 0.34 0.50 -0.08 0.02 0.00 0.00 177.57 177.84 2jly h GLU 535 N 0.32 0.96 0.00 1.57 4.81 -0.77 0.83 114.58 122.29 2jly h GLU 535 Ca 0.08 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 2jly h GLU 535 Cb 0.53 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.69 2jly h GLU 535 CO 0.03 0.63 -0.12 -0.07 -0.73 0.00 0.00 179.01 178.75 2jly h LEU 536 N 0.98 0.00 0.00 1.64 3.38 -0.51 0.16 115.31 120.96 2jly h LEU 536 Ca 0.30 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 58.21 2jly h LEU 536 Cb -0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2jly h LEU 536 CO -0.10 0.12 -0.36 0.24 0.09 0.00 0.00 178.44 178.43 2jly h MET 537 N 0.00 0.00 -0.07 1.13 2.86 -1.29 -2.18 114.93 115.39 2jly h MET 537 Ca -0.00 0.00 -0.22 0.00 -2.06 0.00 0.00 59.70 57.41 2jly h MET 537 Cb 0.21 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.88 2jly h MET 537 CO 0.02 0.72 -0.86 0.00 1.06 0.00 0.00 176.91 177.84 2jly h ARG 538 N -1.00 0.60 0.00 1.72 -0.00 -0.84 -2.65 114.38 112.21 2jly h ARG 538 Ca -0.09 -0.55 -0.37 0.00 -0.50 0.00 0.00 59.98 58.47 2jly h ARG 538 Cb 0.84 0.13 -0.07 0.00 0.00 0.00 0.00 29.97 30.88 2jly h ARG 538 CO -0.05 1.17 -2.40 0.54 0.00 0.00 0.00 179.97 179.22 2jly n ARG 539 N -3.85 0.65 0.20 0.04 1.74 0.50 -4.55 116.66 111.38 2jly n ARG 539 Ca -0.07 0.12 0.12 0.00 -0.77 0.00 0.00 57.85 57.25 2jly n ARG 539 Cb 0.79 -1.50 0.17 0.00 -1.02 0.00 0.00 32.46 30.90 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 2.21 0.00 -3.20 -0.13 0.00 -1.31 -3.48 103.07 97.16 2jly h GLY 540 Ca -0.55 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.46 2jly h GLY 540 CO -0.07 0.00 -0.45 1.22 0.00 0.00 0.00 176.54 177.24 2jly n ASP 541 N -2.98 -5.01 -4.91 0.19 10.43 -1.00 -4.95 116.55 108.32 2jly n ASP 541 Ca 0.04 -0.17 -0.32 0.00 2.57 0.00 0.00 54.79 56.92 2jly n ASP 541 Cb 0.52 -3.93 -0.04 0.00 1.84 0.00 0.00 41.12 39.51 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 -5.08 4.36 0.99 0.64 1.43 -0.84 -5.01 118.68 115.16 2jly s LEU 542 Ca 0.17 0.29 -0.11 0.00 -1.03 0.00 0.00 54.13 53.45 2jly s LEU 542 Cb -0.08 -2.87 0.18 0.00 0.03 0.00 0.00 46.19 43.46 2jly s LEU 542 CO 0.21 0.19 1.08 -2.65 0.23 0.00 0.00 176.35 175.41 2jly n PRO 543 N 0.45 -0.99 -0.22 1.29 -0.02 -1.26 -4.37 135.00 129.89 2jly n PRO 543 Ca -0.06 -0.23 -0.06 0.00 -2.02 0.00 0.00 63.50 61.12 2jly n PRO 543 Cb 0.51 -2.30 0.04 0.00 -0.02 0.00 0.00 33.50 31.73 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 -2.10 1.18 -0.16 -1.45 2.07 -1.98 -1.35 116.25 112.46 2jly h VAL 544 Ca -0.48 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.64 2jly h VAL 544 Cb 1.29 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.39 2jly h VAL 544 CO 0.43 0.18 0.09 -0.25 0.02 0.00 0.00 177.57 178.04 2jly h TRP 545 N 0.83 0.21 -0.23 1.57 7.01 -1.94 -0.79 115.95 122.61 2jly h TRP 545 Ca 0.22 -0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.19 2jly h TRP 545 Cb -0.02 -0.07 -0.01 0.00 -2.10 0.00 0.00 29.16 26.96 2jly h TRP 545 CO -0.02 0.21 0.03 1.25 -2.79 0.00 0.00 178.44 177.13 2jly h LEU 546 N 0.15 0.36 -0.79 0.65 5.85 -1.90 -1.98 115.31 117.66 2jly h LEU 546 Ca 0.06 -0.26 0.08 0.00 0.84 0.00 0.00 57.88 58.59 2jly h LEU 546 Cb 0.07 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 40.94 2jly h LEU 546 CO -0.01 0.53 0.45 0.28 -0.34 0.00 0.00 178.44 179.36 2jly h SER 547 N 0.18 0.67 -0.64 1.25 0.02 -1.19 -1.55 113.55 112.28 2jly h SER 547 Ca 0.07 0.04 -0.01 0.00 -0.84 0.00 0.00 61.79 61.04 2jly h SER 547 Cb 0.33 -0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.74 2jly h SER 547 CO 0.00 0.40 0.35 0.22 -1.14 0.00 0.00 176.83 176.67 2jly h TYR 548 N 0.79 0.89 -0.63 3.45 3.20 -0.92 -1.01 116.97 122.74 2jly h TYR 548 Ca 0.36 -0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.12 2jly h TYR 548 Cb 0.27 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.24 2jly h TYR 548 CO -0.06 0.64 0.03 0.87 -1.64 0.00 0.00 178.16 178.00 2jly h LYS 549 N 0.87 1.10 0.02 1.82 1.79 -0.87 0.01 116.57 121.32 2jly h LYS 549 Ca 0.22 -0.33 -0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2jly h LYS 549 Cb 0.05 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.59 2jly h LYS 549 CO -0.04 1.04 -0.01 0.28 -1.08 0.00 0.00 179.45 179.65 2jly h VAL 550 N 1.01 1.36 -0.73 0.50 2.07 -1.22 -3.03 116.25 116.21 2jly h VAL 550 Ca 0.18 -1.25 0.01 0.00 0.82 0.00 0.00 66.70 66.46 2jly h VAL 550 Cb 0.53 2.20 -0.04 0.00 -1.52 0.00 0.00 31.29 32.46 2jly h VAL 550 CO 0.03 0.32 0.48 0.00 0.02 0.00 0.00 177.57 178.41 2jly h ALA 551 N 0.36 0.92 0.00 1.67 0.00 -1.16 -2.56 119.26 118.49 2jly h ALA 551 Ca -0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2jly h ALA 551 Cb 0.55 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.04 2jly h ALA 551 CO 0.01 0.34 0.00 -1.13 0.00 0.00 0.00 179.25 178.47 2jly n SER 552 N -4.58 0.53 -0.25 0.00 3.41 -0.01 -2.18 113.62 110.54 2jly n SER 552 Ca 0.07 0.59 0.14 0.00 -0.26 0.00 0.00 58.87 59.41 2jly n SER 552 Cb 0.02 -0.72 0.69 0.00 -0.26 0.00 0.00 64.21 63.94 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 -1.70 2.62 -0.86 7.33 0.00 -0.97 -4.92 120.51 122.01 2jly n ALA 553 Ca 0.04 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.16 2jly n ALA 553 Cb 0.30 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.43 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 1.07 0.53 3.76 0.00 0.00 -0.93 -5.04 105.19 104.58 2jly n GLY 554 Ca 0.20 -0.41 -0.39 0.00 0.00 0.00 0.00 46.02 45.42 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 4.71 0.66 -0.61 1.01 -1.17 -5.07 121.20 118.73 2jly s ILE 555 Ca 0.00 1.49 -0.11 0.00 0.00 0.00 0.00 60.65 62.03 2jly s ILE 555 Cb 0.00 -4.04 -0.02 0.00 0.01 0.00 0.00 42.46 38.41 2jly s ILE 555 CO 0.00 0.43 1.05 -0.44 0.00 0.00 0.00 174.94 175.98 2jly s SER 556 N -0.43 5.79 0.36 3.58 0.01 -1.26 -4.51 113.70 117.23 2jly s SER 556 Ca 0.35 1.53 0.05 0.00 1.31 0.00 0.00 55.95 59.19 2jly s SER 556 Cb -0.20 -2.49 0.72 0.00 0.21 0.00 0.00 66.02 64.26 2jly s SER 556 CO 0.21 -1.17 1.98 0.22 0.41 0.00 0.00 173.24 174.90 2jly h TYR 557 N -0.49 0.75 -0.02 2.43 3.20 -1.96 -2.72 116.97 118.16 2jly h TYR 557 Ca -0.44 0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.45 2jly h TYR 557 Cb 1.20 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 39.22 2jly h TYR 557 CO 0.64 0.43 -0.16 1.63 -1.64 0.00 0.00 178.16 179.05 2jly n LYS 558 N -4.46 1.59 -2.75 1.82 4.76 -1.26 -4.75 118.16 113.10 2jly n LYS 558 Ca 0.09 -1.16 -0.43 0.00 -2.87 0.00 0.00 58.31 53.94 2jly n LYS 558 Cb 0.16 -1.48 -0.04 0.00 -1.84 0.00 0.00 35.03 31.83 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 -2.21 6.37 -0.12 4.39 2.15 -1.03 -4.90 116.67 121.32 2jly s ASP 559 Ca 0.28 -0.21 0.17 0.00 0.43 0.00 0.00 52.55 53.22 2jly s ASP 559 Cb 0.20 -2.48 0.66 0.00 -0.30 0.00 0.00 42.92 41.00 2jly s ASP 559 CO 0.42 -1.32 1.57 0.54 -0.17 0.00 0.00 175.17 176.21 2jly n ARG 560 N 7.81 3.64 -0.30 4.34 5.12 -1.26 -4.55 116.66 131.45 2jly n ARG 560 Ca 0.04 -2.82 0.09 0.00 -1.93 0.00 0.00 57.85 53.23 2jly n ARG 560 Cb 0.48 -1.85 0.31 0.00 -1.16 0.00 0.00 32.46 30.24 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 3.55 0.82 0.00 5.56 4.39 -1.94 -2.20 114.58 124.76 2jly h GLU 561 Ca 0.00 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 2jly h GLU 561 Cb 1.42 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.88 2jly h GLU 561 CO 0.23 0.55 0.00 0.11 -1.16 0.00 0.00 179.01 178.73 2jly h TRP 562 N 0.85 0.00 0.00 4.33 5.08 -1.97 -1.03 115.95 123.21 2jly h TRP 562 Ca 0.46 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.43 2jly h TRP 562 Cb 0.55 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.71 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 -1.56 0.00 0.09 0.00 3.72 -0.40 -0.80 117.46 118.51 2jly n PHE 564 Ca 0.04 0.00 0.10 0.00 -0.05 0.00 0.00 57.45 57.54 2jly n PHE 564 Cb 0.21 0.00 0.22 0.00 -0.94 0.00 0.00 39.48 38.97 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 -0.57 0.65 -1.15 4.37 -2.24 -1.11 -4.64 114.28 109.58 2jly n THR 565 Ca 0.00 -0.83 -0.32 0.00 -2.27 0.00 0.00 64.05 60.63 2jly n THR 565 Cb 0.01 0.82 0.11 0.00 -2.10 0.00 0.00 70.33 69.18 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 -1.25 1.92 1.00 3.38 0.00 0.11 -4.78 107.32 107.70 2jly s GLY 566 Ca 0.37 0.59 -0.12 0.00 0.00 0.00 0.00 44.72 45.56 2jly s GLY 566 CO 0.28 0.98 0.89 -1.84 0.00 0.00 0.00 173.10 173.41 2jly n GLU 567 N -3.44 -0.99 -0.27 2.90 0.28 -1.26 -4.83 120.64 113.02 2jly n GLU 567 Ca 0.11 -0.24 0.08 0.00 -0.16 0.00 0.00 57.16 56.96 2jly n GLU 567 Cb 0.52 -2.18 0.23 0.00 1.43 0.00 0.00 31.44 31.44 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 -2.04 0.32 0.00 3.44 2.43 -1.97 -0.09 114.38 116.46 2jly h ARG 568 Ca -0.48 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 58.67 2jly h ARG 568 Cb 1.29 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 2jly h ARG 568 CO 0.41 0.21 0.00 -0.91 -1.51 0.00 0.00 179.97 178.17 2jly h ASN 569 N 0.33 0.00 -0.01 -3.80 4.21 -2.00 -2.67 115.58 111.63 2jly h ASN 569 Ca 0.47 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.98 2jly h ASN 569 Cb 0.83 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.03 2jly h ASN 569 CO -0.52 0.00 0.00 0.59 -1.29 0.00 0.00 177.43 176.21 2jly n ASN 570 N -2.38 0.56 -4.67 5.81 4.13 -0.05 -4.88 115.26 113.78 2jly n ASN 570 Ca 0.00 -1.23 -0.45 0.00 1.68 0.00 0.00 54.58 54.58 2jly n ASN 570 Cb 0.16 -0.01 -0.04 0.00 -1.54 0.00 0.00 39.78 38.35 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 -0.54 2.59 -2.93 3.52 -0.06 -1.01 -3.91 117.38 115.04 2jly n GLN 571 Ca 0.21 0.95 -0.41 0.00 -2.00 0.00 0.00 57.00 55.75 2jly n GLN 571 Cb 0.20 -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 3.89 4.98 0.05 1.69 1.01 -0.23 -5.00 121.20 127.59 2jly s ILE 572 Ca 0.89 1.65 0.02 0.00 0.00 0.00 0.00 60.65 63.21 2jly s ILE 572 Cb -0.54 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 37.75 2jly s ILE 572 CO 0.45 0.21 0.08 -0.76 0.00 0.00 0.00 174.94 174.91 2jly s LEU 573 N 0.97 3.82 -0.05 2.97 1.02 -1.26 -1.52 118.68 124.63 2jly s LEU 573 Ca 0.42 0.04 -0.02 0.00 0.02 0.00 0.00 54.13 54.58 2jly s LEU 573 Cb -0.19 -2.42 0.04 0.00 0.02 0.00 0.00 46.19 43.64 2jly s LEU 573 CO 0.21 0.20 0.09 -0.70 0.02 0.00 0.00 176.35 176.17 2jly s GLU 574 N -2.19 -0.04 -1.47 1.70 2.12 0.70 -4.81 118.70 114.71 2jly s GLU 574 Ca 0.27 0.44 -0.08 0.00 0.36 0.00 0.00 54.97 55.96 2jly s GLU 574 Cb -0.12 -0.43 0.03 0.00 0.26 0.00 0.00 34.13 33.86 2jly s GLU 574 CO 0.20 -0.32 0.82 0.39 -0.54 0.00 0.00 175.26 175.80 2jly n GLU 575 N 5.29 -5.75 -0.91 4.30 -0.58 -1.26 -1.84 120.64 119.89 2jly n GLU 575 Ca -0.04 0.80 0.00 0.00 -0.42 0.00 0.00 57.16 57.50 2jly n GLU 575 Cb 0.50 -5.71 0.00 0.00 -0.57 0.00 0.00 31.44 25.66 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 -2.69 -2.44 -4.63 1.62 3.02 -1.26 -5.00 115.26 103.88 2jly n ASN 576 Ca -0.05 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.20 2jly n ASN 576 Cb 0.58 -1.44 -0.09 0.00 -0.61 0.00 0.00 39.78 38.22 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 -0.65 2.43 0.00 3.52 -1.94 -0.77 -5.05 119.30 116.84 2jly s MET 577 Ca 0.00 -0.86 -0.30 0.00 -1.71 0.00 0.00 55.69 52.82 2jly s MET 577 Cb 0.00 -2.46 -0.06 0.00 2.01 0.00 0.00 34.83 34.32 2jly s MET 577 CO 0.00 0.55 1.52 -1.21 -0.01 0.00 0.00 175.02 175.87 2jly s GLU 578 N -2.05 4.23 0.05 2.03 2.02 -1.26 -0.21 118.70 123.51 2jly s GLU 578 Ca 0.22 2.11 -0.31 0.00 0.02 0.00 0.00 54.97 57.01 2jly s GLU 578 Cb -0.11 -3.68 -0.07 0.00 0.10 0.00 0.00 34.13 30.37 2jly s GLU 578 CO 0.14 -0.69 1.41 0.08 0.02 0.00 0.00 175.26 176.22 2jly s VAL 579 N 2.88 3.53 -0.02 2.63 1.01 -0.58 -4.90 120.40 124.95 2jly s VAL 579 Ca 0.68 1.00 -0.01 0.00 0.00 0.00 0.00 61.98 63.66 2jly s VAL 579 Cb -0.34 -3.64 -0.04 0.00 0.00 0.00 0.00 36.38 32.36 2jly s VAL 579 CO 0.28 0.03 0.09 -1.61 0.00 0.00 0.00 175.10 173.90 2jly s GLU 580 N 1.94 3.14 -0.06 2.72 0.41 -1.26 -0.79 118.70 124.79 2jly s GLU 580 Ca 0.65 -0.44 0.04 0.00 -0.41 0.00 0.00 54.97 54.81 2jly s GLU 580 Cb -0.34 -2.91 -0.02 0.00 -1.78 0.00 0.00 34.13 29.09 2jly s GLU 580 CO 0.28 0.66 -0.19 0.42 -0.49 0.00 0.00 175.26 175.94 2jly s ILE 581 N -1.19 2.58 -0.26 -1.63 1.09 0.37 -4.85 121.20 117.32 2jly s ILE 581 Ca 0.22 -0.88 -0.09 0.00 -1.10 0.00 0.00 60.65 58.80 2jly s ILE 581 Cb -0.12 -1.99 -0.04 0.00 -1.06 0.00 0.00 42.46 39.25 2jly s ILE 581 CO 0.13 0.57 0.14 0.26 -0.10 0.00 0.00 174.94 175.94 2jly s TRP 582 N -0.32 3.18 0.62 3.97 0.51 -1.26 -0.43 118.94 125.22 2jly s TRP 582 Ca 0.02 -0.07 -0.06 0.00 -2.12 0.00 0.00 56.10 53.88 2jly s TRP 582 Cb -0.13 -2.31 0.03 0.00 -0.81 0.00 0.00 33.47 30.25 2jly s TRP 582 CO 0.02 -0.20 0.93 0.95 -0.51 0.00 0.00 176.95 178.14 2jly s THR 583 N 1.60 3.11 0.51 2.01 -4.23 -0.08 -4.68 115.64 113.88 2jly s THR 583 Ca 0.07 -0.15 0.36 0.00 -1.18 0.00 0.00 61.69 60.79 2jly s THR 583 Cb -0.15 -3.26 0.56 0.00 1.34 0.00 0.00 72.50 70.99 2jly s THR 583 CO 0.07 -0.27 1.73 0.03 -0.54 0.00 0.00 174.62 175.65 2jly h ARG 584 N -0.30 0.07 -0.41 3.99 3.08 -1.53 0.48 114.38 119.75 2jly h ARG 584 Ca -0.45 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.60 2jly h ARG 584 Cb 1.28 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 31.32 2jly h ARG 584 CO 0.60 0.04 0.00 0.39 -1.07 0.00 0.00 179.97 179.93 2jly n GLU 585 N -4.26 2.42 -0.80 0.04 1.02 -1.26 -4.97 120.64 112.83 2jly n GLU 585 Ca 0.31 -2.19 0.00 0.00 -0.02 0.00 0.00 57.16 55.26 2jly n GLU 585 Cb 1.38 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 31.37 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 1.20 0.57 3.79 0.62 0.00 0.16 -5.05 105.19 106.47 2jly n GLY 586 Ca 0.17 -0.80 -0.39 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.63 4.48 -0.32 1.61 2.02 -1.26 -4.83 118.70 118.77 2jly s GLU 587 Ca 0.00 1.07 -0.10 0.00 0.02 0.00 0.00 54.97 55.96 2jly s GLU 587 Cb 0.00 -3.19 -0.01 0.00 0.10 0.00 0.00 34.13 31.03 2jly s GLU 587 CO 0.00 0.55 0.17 0.21 0.02 0.00 0.00 175.26 176.20 2jly s LYS 588 N -1.29 3.35 0.02 1.61 2.20 -1.26 -0.90 119.74 123.47 2jly s LYS 588 Ca 0.36 -0.71 0.02 0.00 -0.36 0.00 0.00 55.97 55.28 2jly s LYS 588 Cb -0.22 -3.60 -0.02 0.00 -1.51 0.00 0.00 37.83 32.49 2jly s LYS 588 CO 0.25 -0.42 -0.07 0.15 -0.36 0.00 0.00 175.35 174.90 2jly s LYS 589 N 1.63 0.48 0.12 4.03 1.02 0.43 -4.94 119.74 122.50 2jly s LYS 589 Ca 0.05 -0.51 -0.30 0.00 0.02 0.00 0.00 55.97 55.23 2jly s LYS 589 Cb -0.17 -0.34 -0.06 0.00 -0.52 0.00 0.00 37.83 36.73 2jly s LYS 589 CO 0.07 0.08 1.06 0.15 -0.92 0.00 0.00 175.35 175.79 2jly s LYS 590 N -0.94 4.59 -0.46 1.68 1.02 -1.26 0.14 119.74 124.51 2jly s LYS 590 Ca -0.05 1.62 -0.27 0.00 0.02 0.00 0.00 55.97 57.29 2jly s LYS 590 Cb -0.06 -3.34 -0.02 0.00 -0.52 0.00 0.00 37.83 33.88 2jly s LYS 590 CO 0.00 0.04 1.87 -1.17 -0.92 0.00 0.00 175.35 175.17 2jly s LEU 591 N 0.14 3.41 -0.43 3.17 2.96 0.03 -4.59 118.68 123.37 2jly s LEU 591 Ca 0.51 0.87 0.06 0.00 -0.22 0.00 0.00 54.13 55.34 2jly s LEU 591 Cb -0.27 -3.01 0.21 0.00 0.50 0.00 0.00 46.19 43.62 2jly s LEU 591 CO 0.32 -2.08 0.52 -1.14 -1.32 0.00 0.00 176.35 172.65 2jly n ARG 592 N 8.79 0.48 -2.13 1.98 0.63 0.02 -1.07 116.66 125.36 2jly n ARG 592 Ca 0.23 -2.84 -0.34 0.00 -0.92 0.00 0.00 57.85 53.98 2jly n ARG 592 Cb 0.50 -1.46 0.01 0.00 0.45 0.00 0.00 32.46 31.95 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 -0.15 3.27 0.31 -0.14 0.04 -1.03 0.06 135.00 137.37 2jly s PRO 593 Ca 0.33 1.44 0.06 0.00 0.04 0.00 0.00 61.00 62.87 2jly s PRO 593 Cb 0.10 -2.01 0.52 0.00 0.04 0.00 0.00 34.50 33.15 2jly s PRO 593 CO -0.15 -0.88 1.76 -0.22 0.04 0.00 0.00 177.00 177.54 2jly h LYS 594 N 0.81 0.32 -5.55 4.56 3.64 -0.89 -3.35 116.57 116.10 2jly h LYS 594 Ca -0.49 -0.12 -0.66 0.00 -1.27 0.00 0.00 60.65 58.12 2jly h LYS 594 Cb 1.24 -0.02 -0.32 0.00 -0.41 0.00 0.00 32.23 32.72 2jly h LYS 594 CO 0.57 0.58 -0.87 -1.58 -2.27 0.00 0.00 179.45 175.88 2jly s TRP 595 N -4.40 2.33 -0.25 1.91 0.51 -1.26 -4.82 118.94 112.95 2jly s TRP 595 Ca -0.05 -0.81 -0.11 0.00 -2.12 0.00 0.00 56.10 53.01 2jly s TRP 595 Cb 0.14 -1.55 -0.05 0.00 -0.81 0.00 0.00 33.47 31.20 2jly s TRP 595 CO 0.77 -0.30 0.17 -0.51 -0.51 0.00 0.00 176.95 176.57 2jly s LEU 596 N 0.12 4.07 -0.21 2.99 1.43 -1.26 -5.05 118.68 120.76 2jly s LEU 596 Ca -0.11 0.06 -0.01 0.00 -1.03 0.00 0.00 54.13 53.05 2jly s LEU 596 Cb -0.15 -2.11 0.06 0.00 0.03 0.00 0.00 46.19 44.02 2jly s LEU 596 CO 0.06 0.02 -0.00 -0.62 0.23 0.00 0.00 176.35 176.04 2jly s ASP 597 N 1.30 3.35 0.61 2.29 3.68 -1.26 -1.00 116.67 125.64 2jly s ASP 597 Ca 0.07 -0.99 0.31 0.00 2.13 0.00 0.00 52.55 54.07 2jly s ASP 597 Cb -0.14 -0.86 1.73 0.00 -1.45 0.00 0.00 42.92 42.20 2jly s ASP 597 CO 0.07 -0.28 2.08 0.00 0.13 0.00 0.00 175.17 177.17 2jly h ALA 598 N 8.11 1.66 0.00 3.66 0.00 -1.57 -1.40 119.26 129.72 2jly h ALA 598 Ca -0.17 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2jly h ALA 598 Cb 1.10 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2jly h ALA 598 CO 0.37 -0.31 -0.11 0.00 0.00 0.00 0.00 179.25 179.20 2jly h ARG 599 N 0.00 0.00 -0.01 0.00 3.08 -1.91 0.37 114.38 115.90 2jly h ARG 599 Ca 0.07 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.12 2jly h ARG 599 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 2jly h ARG 599 CO -0.00 0.11 -0.05 1.33 -1.07 0.00 0.00 179.97 180.29 2jly n VAL 600 N -4.21 0.00 0.00 2.04 0.24 -0.53 -4.53 118.33 111.35 2jly n VAL 600 Ca -0.03 -0.22 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 2jly n VAL 600 Cb 0.19 0.47 0.00 0.00 -1.47 0.00 0.00 33.84 33.03 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 0.00 0.00 0.48 6.34 4.11 -0.90 -3.21 117.16 123.98 2jly n TYR 601 Ca 0.18 0.00 -0.20 0.00 -0.00 0.00 0.00 57.90 57.88 2jly n TYR 601 Cb 0.35 0.00 -0.09 0.00 -0.00 0.00 0.00 39.34 39.60 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 -1.21 -2.59 -3.48 0.00 -0.52 -3.42 119.26 108.04 2jly h ALA 602 Ca 0.00 -0.27 -0.52 0.00 0.00 0.00 0.00 54.91 54.13 2jly h ALA 602 Cb 0.00 0.47 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2jly h ALA 602 CO 0.00 -1.16 0.43 0.34 0.00 0.00 0.00 179.25 178.86 2jly s ASP 603 N -4.15 7.34 0.45 0.00 2.15 -1.26 -4.95 116.67 116.25 2jly s ASP 603 Ca -0.19 1.94 0.12 0.00 0.43 0.00 0.00 52.55 54.86 2jly s ASP 603 Cb 0.02 -2.59 1.03 0.00 -0.30 0.00 0.00 42.92 41.08 2jly s ASP 603 CO 0.59 -0.19 2.06 1.55 -0.17 0.00 0.00 175.17 179.01 2jly h PRO 604 N 5.55 0.34 -0.32 4.34 0.13 -1.99 -0.50 132.00 139.54 2jly h PRO 604 Ca -0.43 -0.02 -0.11 0.00 -0.87 0.00 0.00 66.00 64.57 2jly h PRO 604 Cb 1.21 -0.08 -0.01 0.00 0.13 0.00 0.00 31.00 32.26 2jly h PRO 604 CO 0.73 0.23 -0.21 0.52 -0.23 0.00 0.00 178.00 179.03 2jly h MET 605 N 0.35 0.71 -0.75 0.86 2.86 -1.95 -1.73 114.93 115.28 2jly h MET 605 Ca 0.15 -0.34 -0.02 0.00 -2.06 0.00 0.00 59.70 57.43 2jly h MET 605 Cb 0.16 -0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.78 2jly h MET 605 CO -0.03 0.95 0.39 0.00 1.06 0.00 0.00 176.91 179.27 2jly h ALA 606 N 0.75 0.97 -0.76 6.32 0.00 -1.74 -2.75 119.26 122.04 2jly h ALA 606 Ca 0.06 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 2jly h ALA 606 Cb 0.77 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 2jly h ALA 606 CO 0.06 0.50 0.26 1.25 0.00 0.00 0.00 179.25 181.32 2jly h LEU 607 N 1.05 1.08 -0.64 0.00 5.85 -1.04 -1.81 115.31 119.79 2jly h LEU 607 Ca 0.26 -0.19 0.04 0.00 0.84 0.00 0.00 57.88 58.83 2jly h LEU 607 Cb 0.07 -0.28 -0.05 0.00 0.37 0.00 0.00 40.66 40.77 2jly h LEU 607 CO -0.04 0.99 0.38 0.11 -0.34 0.00 0.00 178.44 179.54 2jly h LYS 608 N 1.12 0.72 -0.74 1.25 1.79 -1.13 0.98 116.57 120.56 2jly h LYS 608 Ca 0.25 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.65 2jly h LYS 608 Cb 0.28 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.73 2jly h LYS 608 CO -0.01 0.47 0.37 -0.44 -1.08 0.00 0.00 179.45 178.76 2jly h ASP 609 N 0.74 0.96 0.66 0.86 3.32 -1.27 -0.97 116.42 120.71 2jly h ASP 609 Ca 0.27 -0.13 -0.07 0.00 0.02 0.00 0.00 57.03 57.13 2jly h ASP 609 Cb 0.08 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.37 2jly h ASP 609 CO -0.13 0.81 -0.31 0.15 -1.72 0.00 0.00 179.24 178.04 2jly h PHE 610 N 1.04 0.00 -0.11 4.55 3.57 -0.89 -0.52 116.94 124.58 2jly h PHE 610 Ca 0.26 0.00 -0.20 0.00 3.53 0.00 0.00 57.97 61.55 2jly h PHE 610 Cb 0.10 0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.84 2jly h PHE 610 CO 0.01 0.31 -0.76 0.87 -2.23 0.00 0.00 178.31 176.50 2jly h LYS 611 N 0.00 0.57 -0.70 1.11 1.57 -0.28 -0.78 116.57 118.06 2jly h LYS 611 Ca -0.00 -0.48 -0.06 0.00 -1.87 0.00 0.00 60.65 58.24 2jly h LYS 611 Cb 0.72 0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.11 2jly h LYS 611 CO 0.04 1.10 0.19 0.93 -0.57 0.00 0.00 179.45 181.14 2jly h GLU 612 N 0.39 1.10 0.17 3.15 5.08 -0.81 -2.14 114.58 121.52 2jly h GLU 612 Ca -0.04 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.06 2jly h GLU 612 Cb 1.37 -0.15 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2jly h GLU 612 CO 0.14 0.96 -0.08 0.35 -1.00 0.00 0.00 179.01 179.38 2jly h PHE 613 N 1.05 -0.21 0.00 4.33 3.57 -0.99 -1.93 116.94 122.77 2jly h PHE 613 Ca 0.22 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 2jly h PHE 613 Cb 0.34 0.07 -0.00 0.00 2.79 0.00 0.00 35.95 39.15 2jly h PHE 613 CO 0.03 -0.07 -0.04 0.00 -2.23 0.00 0.00 178.31 176.00 2jly h ALA 614 N 0.51 1.59 0.00 2.41 0.00 -1.11 -1.87 119.26 120.80 2jly h ALA 614 Ca -0.02 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 2jly h ALA 614 Cb 0.24 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2jly h ALA 614 CO 0.04 0.05 -0.36 0.77 0.00 0.00 0.00 179.25 179.75 2jly h SER 615 N 0.00 0.00 0.00 0.00 0.02 -1.20 -3.47 113.55 108.90 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 0.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.63 2jly h SER 615 CO 0.01 0.36 0.00 0.61 -1.14 0.00 0.00 176.83 176.66 2jly n GLY 616 N -0.12 0.87 1.41 -3.77 0.00 -0.70 -1.28 105.19 101.60 2jly n GLY 616 Ca -0.01 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.24 2.92 0.00 1.61 1.74 -0.74 -4.94 116.66 115.01 2jly n ARG 617 Ca 0.00 -2.71 0.00 0.00 -0.77 0.00 0.00 57.85 54.37 2jly n ARG 617 Cb 0.00 -1.64 0.00 0.00 -1.02 0.00 0.00 32.46 29.80 2jly n ARG 617 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74