#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2uxx s SER 172 N 0.00 3.72 1.06 2.55 1.04 -1.26 -4.20 113.70 116.61 2uxx s SER 172 Ca 0.00 -1.51 0.00 0.00 0.48 0.00 0.00 55.95 54.92 2uxx s SER 172 Cb 0.00 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.20 2uxx s SER 172 CO 0.00 -0.67 0.00 0.61 0.98 0.00 0.00 173.24 174.16 2uxx n GLY 173 N -1.05 2.62 0.16 7.32 0.00 -1.26 -2.06 105.19 110.92 2uxx n GLY 173 Ca -0.10 -0.41 0.04 0.00 0.00 0.00 0.00 46.02 45.54 2uxx n GLY 173 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 2uxx h VAL 174 N 0.00 0.94 0.00 1.61 -1.51 -1.97 -3.02 116.25 112.30 2uxx h VAL 174 Ca 0.00 -1.88 -0.08 0.00 -1.23 0.00 0.00 66.70 63.51 2uxx h VAL 174 Cb 0.00 2.15 -0.01 0.00 -2.13 0.00 0.00 31.29 31.30 2uxx h VAL 174 CO 0.00 0.45 -0.40 -0.33 -1.23 0.00 0.00 177.57 176.06 2uxx h GLU 175 N 0.00 0.00 -0.10 5.19 5.08 -1.87 -2.75 114.58 120.13 2uxx h GLU 175 Ca -0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 2uxx h GLU 175 Cb 1.11 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.36 2uxx h GLU 175 CO 0.06 0.40 -0.74 0.78 -1.00 0.00 0.00 179.01 178.51 2uxx h GLY 176 N 1.77 0.57 1.27 -3.84 0.00 -1.29 -2.61 103.07 98.94 2uxx h GLY 176 Ca -0.00 -0.80 -0.06 0.00 0.00 0.00 0.00 47.33 46.46 2uxx h GLY 176 CO 0.05 0.72 0.11 0.00 0.00 0.00 0.00 176.54 177.42 2uxx h ALA 177 N 0.83 1.11 -0.26 3.60 0.00 -1.46 0.67 119.26 123.76 2uxx h ALA 177 Ca -0.04 -0.23 -0.14 0.00 0.00 0.00 0.00 54.91 54.50 2uxx h ALA 177 Cb 1.33 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.89 2uxx h ALA 177 CO 0.14 0.59 -0.40 0.00 0.00 0.00 0.00 179.25 179.57 2uxx h ALA 178 N 1.25 0.40 -0.69 0.00 0.00 -1.48 -2.45 119.26 116.29 2uxx h ALA 178 Ca 0.18 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.59 2uxx h ALA 178 Cb 0.35 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.04 2uxx h ALA 178 CO 0.00 0.50 0.23 0.35 0.00 0.00 0.00 179.25 180.33 2uxx h PHE 179 N 0.46 1.09 0.00 0.00 3.57 -1.23 0.30 116.94 121.13 2uxx h PHE 179 Ca 0.02 -0.10 0.00 0.00 3.53 0.00 0.00 57.97 61.42 2uxx h PHE 179 Cb 0.99 -0.32 0.00 0.00 2.79 0.00 0.00 35.95 39.41 2uxx h PHE 179 CO 0.08 0.87 0.00 0.37 -2.23 0.00 0.00 178.31 177.40 2uxx h GLN 180 N 1.00 0.00 -0.39 1.11 5.75 -0.81 -2.18 115.11 119.58 2uxx h GLN 180 Ca 0.22 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.72 2uxx h GLN 180 Cb 0.28 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.83 2uxx h GLN 180 CO -0.01 0.00 0.00 0.43 -2.65 0.00 0.00 178.83 176.60 2uxx n SER 181 N -2.84 3.29 -2.27 -0.69 7.64 -0.75 -4.37 113.62 113.62 2uxx n SER 181 Ca 0.01 -1.94 -0.17 0.00 1.01 0.00 0.00 58.87 57.77 2uxx n SER 181 Cb 0.25 -0.25 0.02 0.00 -1.01 0.00 0.00 64.21 63.22 2uxx n SER 181 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2uxx n ARG 182 N 1.26 -3.17 -4.67 1.43 1.74 -0.72 -5.02 116.66 107.51 2uxx n ARG 182 Ca 0.17 0.74 -0.30 0.00 -0.77 0.00 0.00 57.85 57.70 2uxx n ARG 182 Cb 0.54 -5.19 -0.13 0.00 -1.02 0.00 0.00 32.46 26.66 2uxx n ARG 182 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 2uxx s LEU 183 N -5.19 2.43 0.07 0.55 1.43 0.98 -5.01 118.68 113.94 2uxx s LEU 183 Ca 0.17 -0.54 -0.31 0.00 -1.03 0.00 0.00 54.13 52.43 2uxx s LEU 183 Cb -0.08 -1.40 -0.06 0.00 0.03 0.00 0.00 46.19 44.68 2uxx s LEU 183 CO 0.21 0.24 1.25 -2.16 0.23 0.00 0.00 176.35 176.13 2uxx s PRO 184 N -1.53 4.40 0.24 1.29 0.04 -1.26 -3.65 135.00 134.53 2uxx s PRO 184 Ca 0.14 1.85 0.05 0.00 0.04 0.00 0.00 61.00 63.08 2uxx s PRO 184 Cb -0.10 -3.33 0.26 0.00 0.04 0.00 0.00 34.50 31.37 2uxx s PRO 184 CO 0.05 -0.31 1.57 1.12 0.04 0.00 0.00 177.00 179.46 2uxx h HIS 185 N 6.83 0.30 -0.63 0.56 2.07 -1.90 -3.27 115.15 119.10 2uxx h HIS 185 Ca -0.42 -0.11 0.00 0.00 -2.85 0.00 0.00 60.37 56.99 2uxx h HIS 185 Cb 1.21 -0.05 0.00 0.00 2.57 0.00 0.00 27.41 31.14 2uxx h HIS 185 CO 0.67 0.77 0.00 -0.40 -3.07 0.00 0.00 177.93 175.89 2uxx n ASP 186 N -3.88 4.38 -3.69 3.10 5.68 -1.26 -4.89 116.55 115.99 2uxx n ASP 186 Ca -0.02 -2.34 -0.14 0.00 -0.50 0.00 0.00 54.79 51.78 2uxx n ASP 186 Cb 0.61 -0.55 -0.08 0.00 -1.14 0.00 0.00 41.12 39.96 2uxx n ASP 186 CO 0.00 0.00 0.00 -0.60 -1.33 0.00 0.00 177.20 175.27 2uxx s ARG 187 N -1.68 0.73 0.20 0.11 3.52 -1.24 -5.10 118.95 115.49 2uxx s ARG 187 Ca 0.48 0.19 -0.24 0.00 -0.13 0.00 0.00 55.73 56.02 2uxx s ARG 187 Cb 0.30 0.34 -0.08 0.00 -1.56 0.00 0.00 34.95 33.94 2uxx s ARG 187 CO 0.25 -0.18 0.79 -1.64 -0.81 0.00 0.00 175.30 173.71 2uxx s MET 188 N -0.80 4.52 0.68 5.12 -1.94 -1.26 -4.57 119.30 121.05 2uxx s MET 188 Ca -0.09 1.13 -0.05 0.00 -1.71 0.00 0.00 55.69 54.97 2uxx s MET 188 Cb -0.03 -3.13 0.06 0.00 2.01 0.00 0.00 34.83 33.73 2uxx s MET 188 CO 0.04 0.50 0.97 0.95 -0.01 0.00 0.00 175.02 177.48 2uxx s THR 189 N -1.28 2.36 0.31 2.05 -4.23 -1.26 -4.89 115.64 108.69 2uxx s THR 189 Ca 0.39 -0.33 0.00 0.00 -1.18 0.00 0.00 61.69 60.57 2uxx s THR 189 Cb -0.21 -3.01 0.22 0.00 1.34 0.00 0.00 72.50 70.84 2uxx s THR 189 CO 0.25 -0.01 1.93 -1.28 -0.54 0.00 0.00 174.62 174.97 2uxx h SER 190 N -0.48 0.78 -0.47 3.99 0.87 -1.98 0.31 113.55 116.56 2uxx h SER 190 Ca -0.44 -0.07 -0.07 0.00 -1.23 0.00 0.00 61.79 59.98 2uxx h SER 190 Cb 1.31 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 63.06 2uxx h SER 190 CO 0.59 0.65 0.03 -0.61 -0.53 0.00 0.00 176.83 176.96 2uxx h GLN 191 N 0.87 0.80 -0.33 2.24 4.15 -2.00 -2.13 115.11 118.71 2uxx h GLN 191 Ca 0.22 -0.24 -0.11 0.00 0.77 0.00 0.00 58.65 59.29 2uxx h GLN 191 Cb 0.06 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 2uxx h GLN 191 CO -0.03 0.84 -0.26 0.93 -1.93 0.00 0.00 178.83 178.38 2uxx h GLU 192 N 0.66 0.67 -0.93 1.69 5.08 -1.81 -2.87 114.58 117.07 2uxx h GLU 192 Ca 0.14 -0.28 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2uxx h GLU 192 Cb 0.46 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 2uxx h GLU 192 CO 0.02 0.86 0.54 0.00 -1.00 0.00 0.00 179.01 179.43 2uxx h ALA 193 N 1.13 1.19 -0.47 3.43 0.00 -0.70 0.13 119.26 123.97 2uxx h ALA 193 Ca 0.08 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 2uxx h ALA 193 Cb 0.75 -0.37 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 2uxx h ALA 193 CO 0.06 0.66 -0.09 0.00 0.00 0.00 0.00 179.25 179.88 2uxx h ALA 194 N 1.30 0.95 0.00 0.00 0.00 -1.18 -2.37 119.26 117.96 2uxx h ALA 194 Ca 0.33 -0.32 -0.10 0.00 0.00 0.00 0.00 54.91 54.82 2uxx h ALA 194 Cb -0.02 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 2uxx h ALA 194 CO -0.06 0.62 -0.98 0.00 0.00 0.00 0.00 179.25 178.83 2uxx n PHE 196 N -2.93 2.62 0.21 0.00 3.01 0.44 -4.47 117.46 116.32 2uxx n PHE 196 Ca -0.03 -3.94 0.05 0.00 1.01 0.00 0.00 57.45 54.54 2uxx n PHE 196 Cb 0.72 -0.47 0.46 0.00 -0.01 0.00 0.00 39.48 40.18 2uxx n PHE 196 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2uxx h PRO 197 N 3.08 0.00 -0.32 -1.08 0.13 -1.62 -2.44 132.00 129.75 2uxx h PRO 197 Ca 0.12 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 65.16 2uxx h PRO 197 Cb 0.68 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 31.79 2uxx h PRO 197 CO 0.70 0.28 -0.17 0.38 -0.23 0.00 0.00 178.00 178.96 2uxx h ASP 198 N 0.00 0.56 0.02 1.44 2.03 -1.90 -2.81 116.42 115.75 2uxx h ASP 198 Ca -0.00 -0.17 -0.03 0.00 -0.73 0.00 0.00 57.03 56.10 2uxx h ASP 198 Cb 0.53 -0.15 0.00 0.00 -0.83 0.00 0.00 39.33 38.88 2uxx h ASP 198 CO 0.04 0.75 -0.12 0.40 -1.03 0.00 0.00 179.24 179.28 2uxx h ILE 199 N 0.51 1.72 0.00 4.15 2.04 -1.85 -2.94 117.51 121.14 2uxx h ILE 199 Ca 0.09 -2.26 -0.04 0.00 1.00 0.00 0.00 64.86 63.65 2uxx h ILE 199 Cb 0.59 3.24 -0.01 0.00 -0.74 0.00 0.00 36.82 39.90 2uxx h ILE 199 CO 0.04 0.60 -0.20 -0.29 0.00 0.00 0.00 178.15 178.29 2uxx h ILE 200 N -0.85 0.93 0.00 -0.67 2.10 -1.52 -2.59 117.51 114.91 2uxx h ILE 200 Ca -0.02 -0.75 0.00 0.00 1.08 0.00 0.00 64.86 65.17 2uxx h ILE 200 Cb 1.04 1.43 0.00 0.00 -1.09 0.00 0.00 36.82 38.20 2uxx h ILE 200 CO 0.02 0.20 -0.78 0.77 -1.08 0.00 0.00 178.15 177.28 2uxx h SER 201 N 0.00 0.00 -2.46 2.19 4.64 -1.63 -3.48 113.55 112.82 2uxx h SER 201 Ca -0.00 -0.05 -0.12 0.00 -0.47 0.00 0.00 61.79 61.14 2uxx h SER 201 Cb 0.41 0.00 0.05 0.00 -0.31 0.00 0.00 62.40 62.55 2uxx h SER 201 CO 0.03 0.03 0.11 0.61 -0.87 0.00 0.00 176.83 176.73 2uxx n GLY 202 N 1.21 -1.38 3.71 -0.77 0.00 -0.98 -5.02 105.19 101.97 2uxx n GLY 202 Ca 0.01 -1.66 -0.41 0.00 0.00 0.00 0.00 46.02 43.97 2uxx n GLY 202 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2uxx n PRO 203 N -1.86 1.95 -0.34 1.61 -0.04 -1.26 -4.90 135.00 130.16 2uxx n PRO 203 Ca 0.05 0.69 0.18 0.00 -0.04 0.00 0.00 63.50 64.38 2uxx n PRO 203 Cb 0.16 -2.43 0.40 0.00 -0.04 0.00 0.00 33.50 31.60 2uxx n PRO 203 CO 0.00 0.00 0.00 1.96 -0.04 0.00 0.00 175.50 177.42 2uxx h GLN 204 N 2.05 0.56 -0.48 0.54 1.08 -1.95 -2.09 115.11 114.83 2uxx h GLN 204 Ca -0.48 -0.03 0.04 0.00 -1.45 0.00 0.00 58.65 56.72 2uxx h GLN 204 Cb 1.29 -0.13 -0.04 0.00 -0.05 0.00 0.00 27.48 28.55 2uxx h GLN 204 CO 0.60 0.37 0.24 0.37 -0.95 0.00 0.00 178.83 179.46 2uxx h GLN 205 N 0.58 0.46 -0.73 1.46 5.75 -1.98 -2.41 115.11 118.23 2uxx h GLN 205 Ca 0.61 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 59.07 2uxx h GLN 205 Cb 1.21 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 29.62 2uxx h GLN 205 CO -0.40 0.30 0.39 1.15 -2.65 0.00 0.00 178.83 177.62 2uxx h THR 206 N 0.47 1.22 -0.79 2.39 2.02 -1.75 -2.19 112.91 114.28 2uxx h THR 206 Ca 0.21 -0.55 -0.02 0.00 0.77 0.00 0.00 66.41 66.82 2uxx h THR 206 Cb 0.12 0.24 -0.04 0.00 -1.74 0.00 0.00 68.15 66.73 2uxx h THR 206 CO -0.15 0.24 0.42 1.56 0.37 0.00 0.00 175.52 177.97 2uxx h GLN 207 N 1.01 1.10 -0.06 6.66 4.20 -1.39 -1.39 115.11 125.24 2uxx h GLN 207 Ca 0.26 -0.13 -0.08 0.00 0.06 0.00 0.00 58.65 58.75 2uxx h GLN 207 Cb 0.03 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 2uxx h GLN 207 CO -0.04 0.81 -0.35 0.87 -0.67 0.00 0.00 178.83 179.45 2uxx h LYS 208 N 1.10 0.12 -0.22 1.46 1.57 -1.05 -0.28 116.57 119.27 2uxx h LYS 208 Ca 0.28 -0.05 -0.18 0.00 -1.87 0.00 0.00 60.65 58.83 2uxx h LYS 208 Cb 0.04 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.35 2uxx h LYS 208 CO -0.04 0.46 -0.59 0.28 -0.57 0.00 0.00 179.45 178.98 2uxx h VAL 209 N 0.10 1.30 -0.06 0.50 2.07 -0.96 -2.33 116.25 116.87 2uxx h VAL 209 Ca 0.01 -1.82 -0.01 0.00 0.82 0.00 0.00 66.70 65.70 2uxx h VAL 209 Cb 0.67 1.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.20 2uxx h VAL 209 CO 0.05 0.58 -0.01 0.15 0.02 0.00 0.00 177.57 178.35 2uxx h PHE 210 N 0.53 0.13 -1.00 1.57 3.57 -0.87 -2.63 116.94 118.24 2uxx h PHE 210 Ca -0.00 -0.03 0.06 0.00 3.53 0.00 0.00 57.97 61.53 2uxx h PHE 210 Cb 1.18 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 39.82 2uxx h PHE 210 CO 0.06 0.45 0.65 -0.07 -2.23 0.00 0.00 178.31 177.17 2uxx h LEU 211 N -0.23 1.04 -0.05 0.59 3.38 -1.06 -0.50 115.31 118.48 2uxx h LEU 211 Ca 0.02 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2uxx h LEU 211 Cb 0.40 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.94 2uxx h LEU 211 CO 0.01 0.67 0.01 0.15 0.09 0.00 0.00 178.44 179.36 2uxx h PHE 212 N 1.18 0.09 -0.56 1.13 3.57 -1.39 0.31 116.94 121.27 2uxx h PHE 212 Ca 0.43 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.94 2uxx h PHE 212 Cb 0.15 -0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.83 2uxx h PHE 212 CO -0.00 0.34 0.34 0.82 -2.23 0.00 0.00 178.31 177.57 2uxx h ILE 213 N -0.18 1.06 0.32 1.41 2.04 -1.15 0.13 117.51 121.14 2uxx h ILE 213 Ca 0.02 -0.23 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 2uxx h ILE 213 Cb 0.29 0.33 0.00 0.00 -0.74 0.00 0.00 36.82 36.71 2uxx h ILE 213 CO 0.00 0.12 -0.16 -0.09 0.00 0.00 0.00 178.15 178.03 2uxx h ARG 214 N 0.67 -0.42 -0.73 2.37 1.12 -1.00 -1.28 114.38 115.11 2uxx h ARG 214 Ca 0.23 0.03 0.01 0.00 -1.11 0.00 0.00 59.98 59.14 2uxx h ARG 214 Cb 0.03 0.10 -0.04 0.00 -0.01 0.00 0.00 29.97 30.04 2uxx h ARG 214 CO -0.10 -0.24 0.48 -0.91 -3.11 0.00 0.00 179.97 176.09 2uxx h ASN 215 N -0.49 0.82 -0.25 -3.80 2.35 -0.65 -2.06 115.58 111.49 2uxx h ASN 215 Ca -0.04 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.66 2uxx h ASN 215 Cb 0.37 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 2uxx h ASN 215 CO 0.07 0.59 0.03 -0.09 -1.65 0.00 0.00 177.43 176.38 2uxx h ARG 216 N 0.97 0.41 -0.62 0.81 9.65 -0.69 -1.25 114.38 123.66 2uxx h ARG 216 Ca 0.28 -0.11 0.03 0.00 -1.10 0.00 0.00 59.98 59.08 2uxx h ARG 216 Cb -0.08 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.42 2uxx h ARG 216 CO -0.07 0.55 0.41 1.15 2.80 0.00 0.00 179.97 184.81 2uxx h THR 217 N 0.21 1.08 -0.40 0.20 2.02 -1.06 0.72 112.91 115.68 2uxx h THR 217 Ca 0.07 -0.25 -0.11 0.00 0.77 0.00 0.00 66.41 66.90 2uxx h THR 217 Cb 0.34 0.29 -0.01 0.00 -1.74 0.00 0.00 68.15 67.03 2uxx h THR 217 CO 0.01 0.13 -0.17 -0.07 0.37 0.00 0.00 175.52 175.79 2uxx h LEU 218 N 0.72 0.85 -0.66 2.58 3.38 -1.12 -2.58 115.31 118.48 2uxx h LEU 218 Ca 0.25 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 2uxx h LEU 218 Cb 0.09 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 2uxx h LEU 218 CO -0.07 1.06 0.34 -0.61 0.09 0.00 0.00 178.44 179.25 2uxx h GLN 219 N 0.64 0.94 -0.66 1.13 4.15 0.06 -0.04 115.11 121.34 2uxx h GLN 219 Ca 0.09 -0.13 -0.01 0.00 0.77 0.00 0.00 58.65 59.38 2uxx h GLN 219 Cb 0.72 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.21 2uxx h GLN 219 CO 0.05 0.73 0.37 -0.07 -1.93 0.00 0.00 178.83 177.99 2uxx h LEU 220 N 0.91 0.81 -0.33 -2.39 3.38 -0.82 -0.27 115.31 116.61 2uxx h LEU 220 Ca 0.23 -0.08 -0.14 0.00 0.09 0.00 0.00 57.88 57.97 2uxx h LEU 220 Cb 0.09 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.62 2uxx h LEU 220 CO -0.03 0.66 -0.35 -0.25 0.09 0.00 0.00 178.44 178.56 2uxx h TRP 221 N 0.90 0.99 -0.48 1.13 2.91 -1.20 -3.20 115.95 117.00 2uxx h TRP 221 Ca 0.23 -0.30 -0.10 0.00 1.13 0.00 0.00 58.89 59.86 2uxx h TRP 221 Cb 0.02 -0.21 -0.02 0.00 -0.51 0.00 0.00 29.16 28.45 2uxx h TRP 221 CO -0.01 1.09 -0.09 -0.07 -1.03 0.00 0.00 178.44 178.33 2uxx h LEU 222 N 0.60 0.85 -2.05 0.65 3.38 -0.77 -2.27 115.31 115.70 2uxx h LEU 222 Ca 0.05 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 2uxx h LEU 222 Cb 0.93 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2uxx h LEU 222 CO 0.09 0.97 -0.09 0.44 0.09 0.00 0.00 178.44 179.94 2uxx h ASP 223 N 0.78 0.00 -1.54 -0.43 5.19 -1.07 -3.36 116.42 116.00 2uxx h ASP 223 Ca 0.13 0.00 -0.30 0.00 -0.62 0.00 0.00 57.03 56.24 2uxx h ASP 223 Cb 0.60 0.00 -0.25 0.00 0.18 0.00 0.00 39.33 39.86 2uxx h ASP 223 CO 0.04 0.09 -0.65 0.21 -3.12 0.00 0.00 179.24 175.80 2uxx s ASN 224 N -6.29 -0.22 0.00 6.45 2.47 -1.07 -5.01 114.94 111.27 2uxx s ASN 224 Ca -0.04 -1.97 0.11 0.00 0.42 0.00 0.00 52.86 51.39 2uxx s ASN 224 Cb 0.14 1.04 0.38 0.00 -1.45 0.00 0.00 41.25 41.36 2uxx s ASN 224 CO 0.59 -0.13 1.29 -0.81 -3.72 0.00 0.00 177.10 174.31 2uxx n PRO 225 N 3.31 1.57 0.00 0.43 -0.05 -0.88 -3.77 135.00 135.61 2uxx n PRO 225 Ca 0.19 -0.88 0.12 0.00 -0.05 0.00 0.00 63.50 62.89 2uxx n PRO 225 Cb 0.52 -1.24 0.32 0.00 -0.05 0.00 0.00 33.50 33.05 2uxx n PRO 225 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 175.50 177.08 2uxx n LYS 226 N 0.18 0.25 -4.14 0.54 5.02 -1.26 -4.64 118.16 114.11 2uxx n LYS 226 Ca 0.10 -0.14 -0.16 0.00 -2.02 0.00 0.00 58.31 56.09 2uxx n LYS 226 Cb 0.22 -1.50 -0.12 0.00 -0.02 0.00 0.00 35.03 33.62 2uxx n LYS 226 CO 0.00 0.00 0.00 0.96 -0.52 0.00 0.00 177.40 177.84 2uxx s ILE 227 N -2.84 0.89 0.20 -0.18 -4.36 -1.25 -0.46 121.20 113.21 2uxx s ILE 227 Ca 0.15 -1.20 -0.31 0.00 -0.26 0.00 0.00 60.65 59.04 2uxx s ILE 227 Cb 0.18 -0.89 -0.10 0.00 1.25 0.00 0.00 42.46 42.90 2uxx s ILE 227 CO 0.63 -0.27 1.45 -1.58 0.24 0.00 0.00 174.94 175.41 2uxx s GLN 228 N -1.65 4.27 -0.49 0.37 0.74 -0.39 -4.82 119.66 117.69 2uxx s GLN 228 Ca -0.05 2.26 -0.17 0.00 0.05 0.00 0.00 55.36 57.45 2uxx s GLN 228 Cb -0.10 -3.15 0.07 0.00 1.10 0.00 0.00 33.01 30.93 2uxx s GLN 228 CO 0.02 -0.45 0.49 -1.17 -0.55 0.00 0.00 175.29 173.62 2uxx s LEU 229 N 0.26 5.37 0.57 3.68 2.96 -1.26 -4.83 118.68 125.45 2uxx s LEU 229 Ca 0.63 -1.18 -0.05 0.00 -0.22 0.00 0.00 54.13 53.31 2uxx s LEU 229 Cb -0.41 -2.29 0.01 0.00 0.50 0.00 0.00 46.19 44.00 2uxx s LEU 229 CO 0.38 -0.75 0.87 0.42 -1.32 0.00 0.00 176.35 175.94 2uxx s THR 230 N 2.04 3.58 0.12 3.68 -4.23 -1.26 -4.90 115.64 114.67 2uxx s THR 230 Ca 0.08 -0.12 -0.18 0.00 -1.18 0.00 0.00 61.69 60.30 2uxx s THR 230 Cb -0.22 -3.41 -0.03 0.00 1.34 0.00 0.00 72.50 70.17 2uxx s THR 230 CO 0.09 -0.40 1.71 0.15 -0.54 0.00 0.00 174.62 175.63 2uxx h PHE 231 N -0.11 0.44 -0.89 3.99 3.57 -1.97 -2.21 116.94 119.76 2uxx h PHE 231 Ca -0.45 -0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.05 2uxx h PHE 231 Cb 1.26 -0.14 -0.05 0.00 2.79 0.00 0.00 35.95 39.81 2uxx h PHE 231 CO 0.46 0.37 0.59 0.93 -2.23 0.00 0.00 178.31 178.43 2uxx h GLU 232 N 0.38 1.14 0.00 1.11 3.07 -2.00 -1.51 114.58 116.78 2uxx h GLU 232 Ca 0.11 -0.07 -0.07 0.00 -0.50 0.00 0.00 59.36 58.83 2uxx h GLU 232 Cb 0.09 -0.26 -0.01 0.00 -0.84 0.00 0.00 28.75 27.73 2uxx h GLU 232 CO -0.02 0.76 -0.35 0.00 -1.40 0.00 0.00 179.01 178.00 2uxx h ALA 233 N 1.34 1.26 -0.00 3.43 0.00 -1.92 -2.35 119.26 121.03 2uxx h ALA 233 Ca 0.34 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 2uxx h ALA 233 Cb -0.08 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.65 2uxx h ALA 233 CO -0.09 0.43 -0.02 1.15 0.00 0.00 0.00 179.25 180.72 2uxx h THR 234 N 0.00 1.59 -0.31 0.00 2.02 -0.74 -3.10 112.91 112.37 2uxx h THR 234 Ca -0.00 -1.76 -0.01 0.00 0.77 0.00 0.00 66.41 65.41 2uxx h THR 234 Cb 0.68 2.78 -0.02 0.00 -1.74 0.00 0.00 68.15 69.85 2uxx h THR 234 CO 0.05 0.46 0.16 0.25 0.37 0.00 0.00 175.52 176.81 2uxx h LEU 235 N -0.72 0.37 -0.92 2.58 5.85 -1.28 -2.33 115.31 118.86 2uxx h LEU 235 Ca -0.00 -0.02 -0.08 0.00 0.84 0.00 0.00 57.88 58.62 2uxx h LEU 235 Cb 0.77 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.69 2uxx h LEU 235 CO 0.00 0.31 -0.03 -0.61 -0.34 0.00 0.00 178.44 177.77 2uxx h GLN 236 N 0.42 0.76 -0.40 1.25 5.75 -1.47 -2.99 115.11 118.44 2uxx h GLN 236 Ca 0.11 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.40 2uxx h GLN 236 Cb 0.03 -0.08 0.00 0.00 1.07 0.00 0.00 27.48 28.49 2uxx h GLN 236 CO -0.02 0.79 0.00 1.04 -2.65 0.00 0.00 178.83 177.99 2uxx n GLN 237 N -4.21 1.98 -3.91 1.69 6.02 -0.89 -4.89 117.38 113.17 2uxx n GLN 237 Ca 0.02 -1.51 -0.35 0.00 -0.01 0.00 0.00 57.00 55.14 2uxx n GLN 237 Cb 0.31 -1.35 -0.08 0.00 1.02 0.00 0.00 30.24 30.14 2uxx n GLN 237 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2uxx s LEU 238 N -1.09 4.10 0.32 1.08 1.43 -1.13 -5.09 118.68 118.30 2uxx s LEU 238 Ca 0.29 0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.63 2uxx s LEU 238 Cb 0.15 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 2uxx s LEU 238 CO 0.21 0.27 0.54 -1.61 0.23 0.00 0.00 176.35 175.99 2uxx s GLU 239 N -0.19 3.54 0.65 1.70 0.41 -1.26 -4.64 118.70 118.91 2uxx s GLU 239 Ca 0.09 -0.19 -0.18 0.00 -0.41 0.00 0.00 54.97 54.29 2uxx s GLU 239 Cb -0.12 -2.66 -0.01 0.00 -1.78 0.00 0.00 34.13 29.57 2uxx s GLU 239 CO 0.01 0.18 1.27 0.00 -0.49 0.00 0.00 175.26 176.23 2uxx s ALA 240 N -2.21 2.35 -1.18 5.21 0.00 -1.26 -3.03 121.76 121.64 2uxx s ALA 240 Ca 0.42 1.14 0.25 0.00 0.00 0.00 0.00 51.96 53.77 2uxx s ALA 240 Cb -0.10 -3.53 0.59 0.00 0.00 0.00 0.00 23.12 20.08 2uxx s ALA 240 CO 0.34 -1.59 1.47 -0.35 0.00 0.00 0.00 175.76 175.62 2uxx n PRO 241 N -1.99 0.20 -0.21 0.00 -0.04 -1.26 -4.88 135.00 126.82 2uxx n PRO 241 Ca 0.15 -0.12 0.27 0.00 -0.04 0.00 0.00 63.50 63.77 2uxx n PRO 241 Cb 0.49 -1.50 0.68 0.00 -0.04 0.00 0.00 33.50 33.12 2uxx n PRO 241 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2uxx h TYR 242 N 0.28 0.13 -0.22 0.54 0.05 -1.93 -0.97 116.97 114.85 2uxx h TYR 242 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.78 2uxx h TYR 242 Cb 0.50 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.20 2uxx h TYR 242 CO 0.00 0.03 0.00 0.27 -1.05 0.00 0.00 178.16 177.41 2uxx n ASN 243 N -4.33 1.18 -0.04 3.88 6.94 -1.22 -3.98 115.26 117.69 2uxx n ASN 243 Ca 0.19 -2.00 -0.17 0.00 -0.02 0.00 0.00 54.58 52.58 2uxx n ASN 243 Cb 0.93 -0.15 -0.13 0.00 -2.36 0.00 0.00 39.78 38.07 2uxx n ASN 243 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 2uxx h SER 244 N 1.27 0.14 -1.05 0.53 4.64 -1.52 -3.41 113.55 114.16 2uxx h SER 244 Ca 0.00 -0.90 -0.57 0.00 -0.47 0.00 0.00 61.79 59.84 2uxx h SER 244 Cb 0.30 -0.05 -0.09 0.00 -0.31 0.00 0.00 62.40 62.25 2uxx h SER 244 CO 0.00 1.22 1.47 -0.62 -0.87 0.00 0.00 176.83 178.04 2uxx s ASP 245 N -6.56 6.38 0.28 4.97 -1.08 -1.26 -4.83 116.67 114.57 2uxx s ASP 245 Ca -0.19 -1.45 0.01 0.00 -0.52 0.00 0.00 52.55 50.40 2uxx s ASP 245 Cb -0.00 -2.57 0.42 0.00 -1.46 0.00 0.00 42.92 39.30 2uxx s ASP 245 CO 0.71 -1.62 1.75 0.71 0.52 0.00 0.00 175.17 177.25 2uxx h THR 246 N 6.76 1.25 -0.37 1.71 1.35 -1.88 -2.94 112.91 118.78 2uxx h THR 246 Ca 0.21 -1.12 -0.16 0.00 -0.55 0.00 0.00 66.41 64.79 2uxx h THR 246 Cb 1.00 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 68.57 2uxx h THR 246 CO 1.41 0.37 -0.39 -0.37 -0.25 0.00 0.00 175.52 176.29 2uxx h VAL 247 N 0.53 1.27 -0.71 6.82 -1.51 -1.98 -1.86 116.25 118.80 2uxx h VAL 247 Ca 0.09 -1.56 -0.05 0.00 -1.23 0.00 0.00 66.70 63.95 2uxx h VAL 247 Cb 0.56 1.40 -0.03 0.00 -2.13 0.00 0.00 31.29 31.09 2uxx h VAL 247 CO 0.04 0.52 0.24 0.25 -1.23 0.00 0.00 177.57 177.39 2uxx h LEU 248 N 0.73 1.00 -0.51 4.19 5.85 -1.96 0.53 115.31 125.13 2uxx h LEU 248 Ca 0.06 -0.17 -0.13 0.00 0.84 0.00 0.00 57.88 58.48 2uxx h LEU 248 Cb 0.97 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.73 2uxx h LEU 248 CO 0.09 0.91 -0.18 0.58 -0.34 0.00 0.00 178.44 179.51 2uxx h VAL 249 N 1.04 1.27 -0.53 1.05 2.07 -1.44 -1.57 116.25 118.14 2uxx h VAL 249 Ca 0.23 -1.34 -0.07 0.00 0.82 0.00 0.00 66.70 66.34 2uxx h VAL 249 Cb 0.26 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2uxx h VAL 249 CO -0.01 0.47 0.05 -0.74 0.02 0.00 0.00 177.57 177.35 2uxx h HIS 250 N 0.89 0.97 -0.63 1.57 -0.00 -0.88 -0.00 115.15 117.06 2uxx h HIS 250 Ca 0.12 -0.15 -0.06 0.00 -0.00 0.00 0.00 60.37 60.28 2uxx h HIS 250 Cb 0.76 -0.26 -0.03 0.00 -0.00 0.00 0.00 27.41 27.88 2uxx h HIS 250 CO 0.05 0.88 0.16 0.00 -0.00 0.00 0.00 177.93 179.02 2uxx h ARG 251 N 0.78 1.01 -0.22 5.26 3.08 -0.79 -0.36 114.38 123.13 2uxx h ARG 251 Ca 0.16 -0.24 -0.05 0.00 0.07 0.00 0.00 59.98 59.92 2uxx h ARG 251 Cb 0.46 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 2uxx h ARG 251 CO 0.02 0.91 -0.04 0.28 -1.07 0.00 0.00 179.97 180.06 2uxx h VAL 252 N 0.93 1.28 -0.27 2.04 2.07 -1.13 -1.87 116.25 119.29 2uxx h VAL 252 Ca 0.20 -1.02 0.01 0.00 0.82 0.00 0.00 66.70 66.71 2uxx h VAL 252 Cb 0.35 1.50 -0.02 0.00 -1.52 0.00 0.00 31.29 31.61 2uxx h VAL 252 CO 0.00 0.31 0.16 -0.74 0.02 0.00 0.00 177.57 177.32 2uxx h HIS 253 N 0.15 0.30 -0.65 1.57 -0.00 -0.82 -1.37 115.15 114.33 2uxx h HIS 253 Ca 0.06 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.38 2uxx h HIS 253 Cb 0.49 -0.10 -0.03 0.00 -0.00 0.00 0.00 27.41 27.78 2uxx h HIS 253 CO 0.05 0.18 0.17 0.77 -0.00 0.00 0.00 177.93 179.09 2uxx h SER 254 N 0.33 0.96 -0.46 3.26 0.02 -1.07 -1.31 113.55 115.27 2uxx h SER 254 Ca 0.10 -0.19 -0.00 0.00 -0.84 0.00 0.00 61.79 60.86 2uxx h SER 254 Cb -0.01 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 2uxx h SER 254 CO -0.05 0.92 0.28 0.22 -1.14 0.00 0.00 176.83 177.06 2uxx h TYR 255 N 0.98 0.61 -0.45 3.45 3.20 -0.98 0.57 116.97 124.35 2uxx h TYR 255 Ca 0.21 -0.00 -0.13 0.00 3.14 0.00 0.00 58.73 61.95 2uxx h TYR 255 Cb 0.33 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 2uxx h TYR 255 CO 0.02 0.43 -0.22 -0.07 -1.64 0.00 0.00 178.16 176.69 2uxx h LEU 256 N 0.62 0.94 -0.14 2.82 3.38 -1.03 -2.11 115.31 119.78 2uxx h LEU 256 Ca 0.17 -0.35 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 2uxx h LEU 256 Cb 0.00 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 2uxx h LEU 256 CO -0.03 1.12 -0.00 -0.08 0.09 0.00 0.00 178.44 179.54 2uxx h GLU 257 N 0.79 0.25 -0.42 1.13 4.81 -1.01 0.82 114.58 120.95 2uxx h GLU 257 Ca 0.10 -0.08 -0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2uxx h GLU 257 Cb 0.78 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 2uxx h GLU 257 CO 0.06 0.48 0.14 -0.09 -0.73 0.00 0.00 179.01 178.88 2uxx h ARG 258 N -0.02 0.61 -0.40 1.92 9.65 -0.86 -2.26 114.38 123.02 2uxx h ARG 258 Ca 0.04 -0.09 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2uxx h ARG 258 Cb 0.37 -0.11 0.00 0.00 -1.39 0.00 0.00 29.97 28.84 2uxx h ARG 258 CO 0.01 0.53 0.00 0.72 2.80 0.00 0.00 179.97 184.02 2uxx n HIS 259 N -4.35 0.53 -2.48 2.20 8.25 -0.80 -3.83 115.22 114.75 2uxx n HIS 259 Ca 0.03 -0.27 -0.19 0.00 -0.26 0.00 0.00 57.72 57.03 2uxx n HIS 259 Cb 0.17 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.28 2uxx n HIS 259 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2uxx n GLY 260 N 1.26 -0.40 0.13 -1.41 0.00 -0.85 -4.75 105.19 99.17 2uxx n GLY 260 Ca 0.16 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.21 2uxx n GLY 260 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2uxx h LEU 261 N -0.26 0.00 -8.26 0.99 3.38 -1.10 -3.43 115.31 106.63 2uxx h LEU 261 Ca -0.45 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.33 2uxx h LEU 261 Cb 1.33 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.91 2uxx h LEU 261 CO 0.52 0.11 -0.70 0.27 0.09 0.00 0.00 178.44 178.74 2uxx s ILE 262 N -3.25 0.42 -1.31 1.22 -4.36 -1.16 -4.91 121.20 107.85 2uxx s ILE 262 Ca 0.01 -1.58 -0.04 0.00 -0.26 0.00 0.00 60.65 58.77 2uxx s ILE 262 Cb 0.08 -1.22 0.01 0.00 1.25 0.00 0.00 42.46 42.59 2uxx s ILE 262 CO 0.77 -0.77 0.98 0.59 0.24 0.00 0.00 174.94 176.75 2uxx n ASN 263 N 0.53 -3.31 -4.45 4.36 3.02 -1.26 -4.40 115.26 109.75 2uxx n ASN 263 Ca -0.16 -0.66 -0.25 0.00 -0.03 0.00 0.00 54.58 53.47 2uxx n ASN 263 Cb 0.59 -4.72 -0.11 0.00 -0.61 0.00 0.00 39.78 34.93 2uxx n ASN 263 CO 0.00 0.00 0.00 0.72 -2.62 0.00 0.00 177.26 175.36 2uxx s PHE 264 N -3.41 2.29 0.00 3.10 -0.12 -1.26 -4.98 117.98 113.60 2uxx s PHE 264 Ca 0.23 -0.35 0.00 0.00 -0.05 0.00 0.00 56.93 56.77 2uxx s PHE 264 Cb -0.11 -1.06 0.00 0.00 -0.63 0.00 0.00 43.02 41.22 2uxx s PHE 264 CO 0.76 0.61 0.00 0.41 -0.05 0.00 0.00 175.22 176.95 2uxx n GLY 265 N -0.18 0.58 3.16 1.99 0.00 -1.26 -4.78 105.19 104.70 2uxx n GLY 265 Ca -0.09 -1.07 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 2uxx n GLY 265 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2uxx s ILE 266 N 0.00 2.50 0.12 -0.61 1.01 -1.26 -4.98 121.20 117.98 2uxx s ILE 266 Ca 0.00 -1.05 -0.13 0.00 0.00 0.00 0.00 60.65 59.47 2uxx s ILE 266 Cb 0.00 -2.22 0.02 0.00 0.01 0.00 0.00 42.46 40.27 2uxx s ILE 266 CO 0.00 0.31 0.32 -0.72 0.00 0.00 0.00 174.94 174.85 2uxx s TYR 267 N 1.29 -0.04 -0.06 3.97 1.13 -1.26 -4.76 117.35 117.62 2uxx s TYR 267 Ca 0.01 -0.33 -0.30 0.00 -1.41 0.00 0.00 57.07 55.05 2uxx s TYR 267 Cb -0.16 0.13 -0.03 0.00 -1.10 0.00 0.00 41.96 40.80 2uxx s TYR 267 CO -0.08 -0.65 1.25 0.15 -2.51 0.00 0.00 175.55 173.71 2uxx s LYS 268 N -3.84 4.32 -0.18 -3.49 1.02 0.40 -4.82 119.74 113.15 2uxx s LYS 268 Ca 0.05 1.73 -0.25 0.00 0.02 0.00 0.00 55.97 57.52 2uxx s LYS 268 Cb 0.03 -3.60 -0.01 0.00 -0.52 0.00 0.00 37.83 33.72 2uxx s LYS 268 CO -0.11 -0.52 0.82 0.50 -0.92 0.00 0.00 175.35 175.12 2uxx s ARG 269 N 2.49 4.28 0.01 1.68 3.52 -1.26 -1.26 118.95 128.40 2uxx s ARG 269 Ca 0.57 0.98 -0.14 0.00 -0.13 0.00 0.00 55.73 57.02 2uxx s ARG 269 Cb -0.25 -3.58 -0.34 0.00 -1.56 0.00 0.00 34.95 29.22 2uxx s ARG 269 CO 0.22 -0.33 0.90 0.82 -0.81 0.00 0.00 175.30 176.09 2uxx h ILE 270 N 5.20 1.18 -3.31 4.11 2.04 -1.94 -3.41 117.51 121.38 2uxx h ILE 270 Ca -0.29 -2.66 -0.74 0.00 1.00 0.00 0.00 64.86 62.17 2uxx h ILE 270 Cb 1.13 2.95 -0.28 0.00 -0.74 0.00 0.00 36.82 39.87 2uxx h ILE 270 CO 0.83 0.83 -0.30 -0.54 0.00 0.00 0.00 178.15 178.97 2uxx s LYS 271 N -2.60 2.71 0.36 2.37 1.02 -1.26 -5.06 119.74 117.28 2uxx s LYS 271 Ca -0.11 -1.87 -0.26 0.00 0.02 0.00 0.00 55.97 53.75 2uxx s LYS 271 Cb 0.05 -4.05 -0.12 0.00 -0.52 0.00 0.00 37.83 33.18 2uxx s LYS 271 CO 0.91 -1.24 1.03 -2.30 -0.92 0.00 0.00 175.35 172.84 2uxx n PRO 272 N 4.81 1.43 -1.67 -1.68 -0.02 -1.26 -4.82 135.00 131.78 2uxx n PRO 272 Ca -0.06 0.51 -0.50 0.00 -2.02 0.00 0.00 63.50 61.42 2uxx n PRO 272 Cb 0.41 -1.98 -0.05 0.00 -0.02 0.00 0.00 33.50 31.85 2uxx n PRO 272 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2uxx n LEU 273 N 0.84 2.95 -4.73 2.45 4.77 -1.26 -4.89 117.00 117.13 2uxx n LEU 273 Ca 0.09 1.04 -0.42 0.00 -0.03 0.00 0.00 56.01 56.68 2uxx n LEU 273 Cb 0.36 -1.32 -0.02 0.00 -2.33 0.00 0.00 43.42 40.11 2uxx n LEU 273 CO 0.59 -0.30 1.23 -0.81 -1.33 0.00 0.00 177.39 176.77 2uxx n PRO 274 N 5.17 2.63 0.21 3.23 -0.04 -1.26 -4.90 135.00 140.05 2uxx n PRO 274 Ca 0.22 0.94 0.07 0.00 -0.04 0.00 0.00 63.50 64.68 2uxx n PRO 274 Cb 0.25 -2.71 0.58 0.00 -0.04 0.00 0.00 33.50 31.57 2uxx n PRO 274 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2uxx h THR 275 N 3.36 1.04 -3.31 0.52 1.03 -2.01 -3.41 112.91 110.14 2uxx h THR 275 Ca -0.46 -0.17 -0.60 0.00 -0.01 0.00 0.00 66.41 65.17 2uxx h THR 275 Cb 1.23 1.00 -0.09 0.00 -1.07 0.00 0.00 68.15 69.22 2uxx h THR 275 CO 0.81 0.06 0.42 -0.54 -0.01 0.00 0.00 175.52 176.25 2uxx s LYS 276 N -5.03 4.18 0.23 0.00 1.02 -1.26 -5.05 119.74 113.83 2uxx s LYS 276 Ca -0.05 0.89 0.02 0.00 0.02 0.00 0.00 55.97 56.85 2uxx s LYS 276 Cb 0.17 -3.64 -0.04 0.00 -0.52 0.00 0.00 37.83 33.80 2uxx s LYS 276 CO 0.69 -0.48 0.40 0.15 -0.92 0.00 0.00 175.35 175.18 2uxx s LYS 277 N 2.73 3.48 -0.09 1.68 1.02 -1.26 -4.98 119.74 122.31 2uxx s LYS 277 Ca 0.34 -0.50 -0.00 0.00 0.02 0.00 0.00 55.97 55.82 2uxx s LYS 277 Cb -0.15 -2.84 0.02 0.00 -0.52 0.00 0.00 37.83 34.34 2uxx s LYS 277 CO 0.08 0.38 -0.06 0.99 -0.92 0.00 0.00 175.35 175.82 2uxx s THR 278 N -1.97 0.82 0.01 2.17 2.01 0.68 -4.94 115.64 114.41 2uxx s THR 278 Ca 0.37 -0.18 0.00 0.00 0.31 0.00 0.00 61.69 62.19 2uxx s THR 278 Cb -0.10 -0.87 0.00 0.00 0.01 0.00 0.00 72.50 71.54 2uxx s THR 278 CO 0.30 0.33 0.00 0.61 -0.69 0.00 0.00 174.62 175.17 2uxx n GLY 279 N 4.83 -2.80 3.17 4.40 0.00 -1.26 -4.03 105.19 109.50 2uxx n GLY 279 Ca -0.13 -1.30 -0.31 0.00 0.00 0.00 0.00 46.02 44.28 2uxx n GLY 279 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2uxx s LYS 280 N -3.98 2.89 -0.06 1.61 2.47 -1.26 -1.08 119.74 120.32 2uxx s LYS 280 Ca 0.00 -0.82 0.02 0.00 -1.56 0.00 0.00 55.97 53.62 2uxx s LYS 280 Cb 0.00 -2.27 0.01 0.00 -1.46 0.00 0.00 37.83 34.11 2uxx s LYS 280 CO 0.00 0.07 -0.13 0.08 0.16 0.00 0.00 175.35 175.54 2uxx s VAL 281 N 0.61 1.16 -0.18 4.02 1.01 0.22 -1.06 120.40 126.18 2uxx s VAL 281 Ca -0.13 -0.50 -0.06 0.00 0.00 0.00 0.00 61.98 61.29 2uxx s VAL 281 Cb -0.17 -1.06 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 2uxx s VAL 281 CO 0.03 0.36 0.03 -0.63 0.00 0.00 0.00 175.10 174.89 2uxx s ILE 282 N 0.62 4.40 -0.18 2.22 -1.09 -0.85 -2.30 121.20 124.03 2uxx s ILE 282 Ca -0.14 -0.17 -0.02 0.00 -2.23 0.00 0.00 60.65 58.09 2uxx s ILE 282 Cb -0.16 -2.98 -0.01 0.00 -1.58 0.00 0.00 42.46 37.74 2uxx s ILE 282 CO 0.04 0.45 -0.08 -0.63 -1.23 0.00 0.00 174.94 173.49 2uxx s ILE 283 N 0.55 3.29 -0.28 2.92 1.01 -0.28 -1.04 121.20 127.37 2uxx s ILE 283 Ca 0.01 -0.55 -0.19 0.00 0.00 0.00 0.00 60.65 59.92 2uxx s ILE 283 Cb -0.13 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.87 2uxx s ILE 283 CO 0.02 0.47 0.56 -0.63 0.00 0.00 0.00 174.94 175.36 2uxx s ILE 284 N 0.89 5.02 0.00 2.92 1.01 -0.03 -0.68 121.20 130.33 2uxx s ILE 284 Ca -0.02 0.84 0.00 0.00 0.00 0.00 0.00 60.65 61.47 2uxx s ILE 284 Cb -0.15 -3.90 0.00 0.00 0.01 0.00 0.00 42.46 38.42 2uxx s ILE 284 CO 0.01 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.54 2uxx n GLY 285 N 4.42 0.34 2.39 6.18 0.00 0.59 -2.14 105.19 116.98 2uxx n GLY 285 Ca -0.03 -1.31 -0.30 0.00 0.00 0.00 0.00 46.02 44.38 2uxx n GLY 285 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2uxx n SER 286 N -0.18 5.82 -2.71 1.61 3.41 -1.26 -4.42 113.62 115.89 2uxx n SER 286 Ca 0.00 -3.76 -0.08 0.00 -0.26 0.00 0.00 58.87 54.77 2uxx n SER 286 Cb 0.00 -0.63 0.05 0.00 -0.26 0.00 0.00 64.21 63.37 2uxx n SER 286 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2uxx n GLY 287 N -0.64 -0.13 0.31 5.00 0.00 -1.26 -1.20 105.19 107.27 2uxx n GLY 287 Ca 0.47 -1.85 -0.01 0.00 0.00 0.00 0.00 46.02 44.64 2uxx n GLY 287 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2uxx h VAL 288 N -0.79 1.09 -0.63 1.61 2.07 -1.95 -0.04 116.25 117.60 2uxx h VAL 288 Ca -0.12 -0.34 -0.09 0.00 0.82 0.00 0.00 66.70 66.98 2uxx h VAL 288 Cb 0.38 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.13 2uxx h VAL 288 CO 0.10 0.18 0.05 0.77 0.02 0.00 0.00 177.57 178.69 2uxx h SER 289 N 0.99 1.04 -0.29 0.57 4.64 -1.91 -1.32 113.55 117.28 2uxx h SER 289 Ca 0.34 -0.29 -0.12 0.00 -0.47 0.00 0.00 61.79 61.26 2uxx h SER 289 Cb 0.08 -0.28 -0.00 0.00 -0.31 0.00 0.00 62.40 61.88 2uxx h SER 289 CO -0.14 1.07 -0.30 1.23 -0.87 0.00 0.00 176.83 177.82 2uxx h GLY 290 N 0.98 0.77 1.00 -0.77 0.00 -1.69 -2.97 103.07 100.40 2uxx h GLY 290 Ca 0.18 -0.80 -0.08 0.00 0.00 0.00 0.00 47.33 46.63 2uxx h GLY 290 CO 0.02 0.72 -0.01 1.41 0.00 0.00 0.00 176.54 178.69 2uxx h LEU 291 N 0.45 0.84 0.03 3.11 3.38 -0.93 -1.69 115.31 120.50 2uxx h LEU 291 Ca 0.04 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2uxx h LEU 291 Cb 0.87 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 2uxx h LEU 291 CO 0.07 0.95 -0.04 0.00 0.09 0.00 0.00 178.44 179.51 2uxx h ALA 292 N 0.92 -0.06 -0.81 1.53 0.00 -1.29 -1.77 119.26 117.78 2uxx h ALA 292 Ca 0.13 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2uxx h ALA 292 Cb 0.52 0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2uxx h ALA 292 CO 0.03 -0.54 0.46 0.00 0.00 0.00 0.00 179.25 179.19 2uxx h ALA 293 N 0.89 1.28 -0.32 0.00 0.00 -1.49 -2.57 119.26 117.04 2uxx h ALA 293 Ca 0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2uxx h ALA 293 Cb 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 2uxx h ALA 293 CO -0.02 0.59 0.15 0.00 0.00 0.00 0.00 179.25 179.97 2uxx h ALA 294 N 1.38 0.41 -0.85 0.00 0.00 -0.96 0.63 119.26 119.87 2uxx h ALA 294 Ca 0.29 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 55.11 2uxx h ALA 294 Cb 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.62 2uxx h ALA 294 CO -0.05 -0.03 0.56 0.00 0.00 0.00 0.00 179.25 179.73 2uxx h ARG 295 N 0.38 1.12 0.11 0.00 3.08 -1.15 -0.70 114.38 117.22 2uxx h ARG 295 Ca 0.11 -0.07 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2uxx h ARG 295 Cb 0.12 -0.25 0.00 0.00 0.08 0.00 0.00 29.97 29.92 2uxx h ARG 295 CO -0.01 0.74 -0.05 1.96 -1.07 0.00 0.00 179.97 181.54 2uxx h GLN 296 N 1.15 -0.14 -0.99 0.04 1.08 -1.20 -0.60 115.11 114.46 2uxx h GLN 296 Ca 0.31 0.01 0.05 0.00 -1.45 0.00 0.00 58.65 57.57 2uxx h GLN 296 Cb -0.13 0.03 -0.06 0.00 -0.05 0.00 0.00 27.48 27.27 2uxx h GLN 296 CO -0.07 0.17 0.64 -0.07 -0.95 0.00 0.00 178.83 178.55 2uxx h LEU 297 N -0.47 1.04 -0.30 1.46 3.38 -0.71 -0.24 115.31 119.48 2uxx h LEU 297 Ca -0.02 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2uxx h LEU 297 Cb 0.38 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2uxx h LEU 297 CO 0.03 0.69 0.02 -0.61 0.09 0.00 0.00 178.44 178.66 2uxx h GLN 298 N 1.20 0.51 -0.01 1.13 4.15 -1.10 -1.69 115.11 119.31 2uxx h GLN 298 Ca 0.41 -0.15 0.00 0.00 0.77 0.00 0.00 58.65 59.68 2uxx h GLN 298 Cb 0.09 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 27.73 2uxx h GLN 298 CO -0.15 0.64 0.01 1.03 -1.93 0.00 0.00 178.83 178.43 2uxx h SER 299 N 0.32 0.00 0.46 -0.69 0.87 0.01 0.06 113.55 114.58 2uxx h SER 299 Ca 0.09 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2uxx h SER 299 Cb 0.39 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.35 2uxx h SER 299 CO 0.01 0.00 -0.31 0.49 -0.53 0.00 0.00 176.83 176.49 2uxx n PHE 300 N -3.71 0.00 -0.16 2.24 3.72 -0.21 -4.94 117.46 114.41 2uxx n PHE 300 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 2uxx n PHE 300 Cb 0.09 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.40 2uxx n PHE 300 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2uxx n GLY 301 N 1.42 1.34 3.91 1.37 0.00 0.01 -4.98 105.19 108.26 2uxx n GLY 301 Ca 0.09 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.73 2uxx n GLY 301 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2uxx s MET 302 N -0.73 3.33 -0.36 1.61 -1.94 -0.67 -0.23 119.30 120.30 2uxx s MET 302 Ca 0.00 -0.63 -0.25 0.00 -1.71 0.00 0.00 55.69 53.10 2uxx s MET 302 Cb 0.00 -2.91 0.01 0.00 2.01 0.00 0.00 34.83 33.94 2uxx s MET 302 CO 0.00 0.52 0.87 0.34 -0.01 0.00 0.00 175.02 176.75 2uxx s ASP 303 N -3.12 6.65 -0.07 3.03 -1.08 -0.24 -4.31 116.67 117.52 2uxx s ASP 303 Ca 0.34 0.53 0.03 0.00 -0.52 0.00 0.00 52.55 52.93 2uxx s ASP 303 Cb -0.11 -2.44 0.01 0.00 -1.46 0.00 0.00 42.92 38.91 2uxx s ASP 303 CO 0.27 -0.80 -0.17 -0.69 0.52 0.00 0.00 175.17 174.31 2uxx s VAL 304 N 3.32 1.47 -0.04 1.11 1.01 -1.26 -0.61 120.40 125.41 2uxx s VAL 304 Ca 0.36 -0.69 0.04 0.00 0.00 0.00 0.00 61.98 61.68 2uxx s VAL 304 Cb -0.13 -1.30 -0.00 0.00 0.00 0.00 0.00 36.38 34.95 2uxx s VAL 304 CO 0.17 0.43 -0.15 -0.89 0.00 0.00 0.00 175.10 174.66 2uxx s THR 305 N 0.42 1.27 -0.11 3.92 2.01 -0.97 -4.27 115.64 117.91 2uxx s THR 305 Ca -0.13 -0.63 -0.01 0.00 0.31 0.00 0.00 61.69 61.22 2uxx s THR 305 Cb -0.15 -1.09 -0.03 0.00 0.01 0.00 0.00 72.50 71.23 2uxx s THR 305 CO 0.05 0.37 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.55 2uxx s LEU 306 N 0.03 3.29 -0.27 4.42 1.02 0.55 -1.13 118.68 126.60 2uxx s LEU 306 Ca -0.03 -0.03 -0.04 0.00 0.02 0.00 0.00 54.13 54.06 2uxx s LEU 306 Cb -0.10 -1.75 0.02 0.00 0.02 0.00 0.00 46.19 44.37 2uxx s LEU 306 CO 0.01 0.29 0.01 -0.76 0.02 0.00 0.00 176.35 175.93 2uxx s LEU 307 N -0.37 3.56 -0.08 1.79 1.43 0.15 -0.14 118.68 125.01 2uxx s LEU 307 Ca 0.06 -0.82 0.04 0.00 -1.03 0.00 0.00 54.13 52.38 2uxx s LEU 307 Cb -0.12 -1.77 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 2uxx s LEU 307 CO 0.02 -0.17 -0.22 -0.70 0.23 0.00 0.00 176.35 175.52 2uxx s GLU 308 N 1.41 2.87 0.11 1.70 2.56 -0.29 -0.30 118.70 126.76 2uxx s GLU 308 Ca 0.01 -0.84 -0.07 0.00 0.00 0.00 0.00 54.97 54.07 2uxx s GLU 308 Cb -0.17 -2.31 -0.15 0.00 2.00 0.00 0.00 34.13 33.50 2uxx s GLU 308 CO -0.01 0.30 1.25 0.00 -0.56 0.00 0.00 175.26 176.25 2uxx h ALA 309 N 6.35 0.27 -2.41 6.30 0.00 -1.78 0.36 119.26 128.34 2uxx h ALA 309 Ca -0.27 -0.73 -0.45 0.00 0.00 0.00 0.00 54.91 53.45 2uxx h ALA 309 Cb 1.20 0.01 0.14 0.00 0.00 0.00 0.00 17.79 19.14 2uxx h ALA 309 CO 0.49 0.80 0.27 1.03 0.00 0.00 0.00 179.25 181.84 2uxx s ARG 310 N -3.19 0.79 -0.20 0.00 0.52 -1.26 -3.53 118.95 112.08 2uxx s ARG 310 Ca -0.06 0.27 0.09 0.00 -0.52 0.00 0.00 55.73 55.50 2uxx s ARG 310 Cb 0.08 -1.80 0.57 0.00 0.52 0.00 0.00 34.95 34.32 2uxx s ARG 310 CO 0.88 -2.44 1.44 -0.40 0.02 0.00 0.00 175.30 174.81 2uxx n ASP 311 N -3.93 4.24 -3.78 0.23 5.75 -1.26 -1.27 116.55 116.53 2uxx n ASP 311 Ca 0.07 -2.75 -0.07 0.00 -0.01 0.00 0.00 54.79 52.03 2uxx n ASP 311 Cb 0.59 -0.65 -0.02 0.00 -1.03 0.00 0.00 41.12 40.01 2uxx n ASP 311 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2uxx s ARG 312 N -2.27 1.81 0.53 0.11 1.70 -1.26 -4.97 118.95 114.60 2uxx s ARG 312 Ca 0.39 -1.07 0.09 0.00 -0.47 0.00 0.00 55.73 54.67 2uxx s ARG 312 Cb 0.30 0.60 0.06 0.00 -0.57 0.00 0.00 34.95 35.34 2uxx s ARG 312 CO 0.11 -0.82 0.65 0.14 -1.08 0.00 0.00 175.30 174.30 2uxx s VAL 313 N -3.77 2.24 0.00 4.99 -7.23 -1.26 -4.70 120.40 110.67 2uxx s VAL 313 Ca 0.13 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.18 2uxx s VAL 313 Cb -0.05 -2.35 0.00 0.00 0.56 0.00 0.00 36.38 34.54 2uxx s VAL 313 CO 0.08 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.48 2uxx n GLY 314 N -2.04 3.25 7.00 2.32 0.00 -0.34 -4.92 105.19 110.46 2uxx n GLY 314 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2uxx n GLY 314 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2uxx n GLY 315 N -2.00 0.56 0.19 -0.02 0.00 -1.26 -0.09 105.19 102.58 2uxx n GLY 315 Ca 0.00 0.74 0.08 0.00 0.00 0.00 0.00 46.02 46.84 2uxx n GLY 315 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2uxx n ARG 316 N 0.00 1.25 -3.65 1.61 1.74 -1.26 -4.28 116.66 112.07 2uxx n ARG 316 Ca 0.00 -0.38 -0.38 0.00 -0.77 0.00 0.00 57.85 56.32 2uxx n ARG 316 Cb 0.00 -1.27 -0.08 0.00 -1.02 0.00 0.00 32.46 30.08 2uxx n ARG 316 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2uxx s VAL 317 N -1.91 4.02 -0.13 1.55 1.01 0.88 -2.02 120.40 123.80 2uxx s VAL 317 Ca 0.24 -2.75 0.02 0.00 0.00 0.00 0.00 61.98 59.49 2uxx s VAL 317 Cb 0.12 -3.60 0.01 0.00 0.00 0.00 0.00 36.38 32.91 2uxx s VAL 317 CO 0.19 -0.88 -0.20 0.00 0.00 0.00 0.00 175.10 174.21 2uxx s ALA 318 N 0.13 2.06 -0.15 5.51 0.00 -1.26 -4.57 121.76 123.48 2uxx s ALA 318 Ca 0.16 -0.97 0.00 0.00 0.00 0.00 0.00 51.96 51.15 2uxx s ALA 318 Cb -0.19 -0.95 -0.00 0.00 0.00 0.00 0.00 23.12 21.98 2uxx s ALA 318 CO -0.04 -0.06 -0.16 0.99 0.00 0.00 0.00 175.76 176.49 2uxx s THR 319 N 0.89 2.65 -0.07 0.00 2.01 -1.26 -0.55 115.64 119.30 2uxx s THR 319 Ca -0.06 -0.78 -0.30 0.00 0.31 0.00 0.00 61.69 60.86 2uxx s THR 319 Cb -0.15 -2.11 -0.02 0.00 0.01 0.00 0.00 72.50 70.23 2uxx s THR 319 CO -0.02 0.52 1.04 0.12 -0.69 0.00 0.00 174.62 175.58 2uxx s PHE 320 N 0.77 3.49 -0.09 4.92 5.36 0.12 -4.92 117.98 127.63 2uxx s PHE 320 Ca -0.06 1.55 -0.01 0.00 -0.96 0.00 0.00 56.93 57.45 2uxx s PHE 320 Cb -0.15 -3.22 0.03 0.00 -0.34 0.00 0.00 43.02 39.34 2uxx s PHE 320 CO 0.01 -0.38 -0.02 1.03 -1.46 0.00 0.00 175.22 174.39 2uxx s ARG 321 N 1.83 0.93 -0.24 10.12 0.52 -1.26 -1.78 118.95 129.07 2uxx s ARG 321 Ca 0.50 -0.02 -0.03 0.00 -0.52 0.00 0.00 55.73 55.66 2uxx s ARG 321 Cb -0.20 -1.20 0.13 0.00 0.52 0.00 0.00 34.95 34.20 2uxx s ARG 321 CO 0.21 -0.29 0.38 0.21 0.02 0.00 0.00 175.30 175.82 2uxx s LYS 322 N 1.88 0.34 7.49 3.54 2.20 -0.67 -5.03 119.74 129.50 2uxx s LYS 322 Ca 0.05 0.56 0.00 0.00 -0.36 0.00 0.00 55.97 56.22 2uxx s LYS 322 Cb -0.12 -0.44 0.00 0.00 -1.51 0.00 0.00 37.83 35.76 2uxx s LYS 322 CO -0.06 -0.62 0.00 0.41 -0.36 0.00 0.00 175.35 174.72 2uxx n GLY 323 N 5.37 3.14 0.58 5.54 0.00 -1.26 -0.91 105.19 117.65 2uxx n GLY 323 Ca -0.04 0.02 0.11 0.00 0.00 0.00 0.00 46.02 46.11 2uxx n GLY 323 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2uxx n ASN 324 N 9.60 2.19 -4.67 1.61 3.02 -1.26 -4.92 115.26 120.83 2uxx n ASN 324 Ca 0.00 -1.60 -0.43 0.00 -0.03 0.00 0.00 54.58 52.53 2uxx n ASN 324 Cb 0.00 0.37 -0.02 0.00 -0.61 0.00 0.00 39.78 39.51 2uxx n ASN 324 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2uxx s TYR 325 N -2.28 3.14 -0.06 3.10 2.02 -0.09 -4.54 117.35 118.64 2uxx s TYR 325 Ca 0.20 1.24 -0.00 0.00 -0.37 0.00 0.00 57.07 58.13 2uxx s TYR 325 Cb 0.18 -3.39 0.03 0.00 -0.40 0.00 0.00 41.96 38.37 2uxx s TYR 325 CO 0.49 -1.15 -0.02 0.08 -1.57 0.00 0.00 175.55 173.38 2uxx s VAL 326 N 2.81 0.45 -0.21 0.71 1.01 -1.26 -1.67 120.40 122.23 2uxx s VAL 326 Ca 0.52 0.03 -0.13 0.00 0.00 0.00 0.00 61.98 62.40 2uxx s VAL 326 Cb -0.21 -0.55 0.06 0.00 0.00 0.00 0.00 36.38 35.68 2uxx s VAL 326 CO 0.16 0.25 0.51 0.00 0.00 0.00 0.00 175.10 176.02 2uxx s ALA 327 N 1.58 -1.33 0.11 5.51 0.00 -0.73 -4.86 121.76 122.05 2uxx s ALA 327 Ca -0.01 1.75 -0.30 0.00 0.00 0.00 0.00 51.96 53.41 2uxx s ALA 327 Cb -0.13 -1.04 -0.06 0.00 0.00 0.00 0.00 23.12 21.89 2uxx s ALA 327 CO -0.04 -0.29 0.95 -0.51 0.00 0.00 0.00 175.76 175.87 2uxx s ASP 328 N 1.17 7.49 -0.01 0.00 1.01 -1.26 0.14 116.67 125.21 2uxx s ASP 328 Ca -0.07 1.78 0.17 0.00 0.71 0.00 0.00 52.55 55.14 2uxx s ASP 328 Cb -0.06 -2.58 -0.22 0.00 1.01 0.00 0.00 42.92 41.06 2uxx s ASP 328 CO -0.11 -0.05 0.57 0.18 0.21 0.00 0.00 175.17 175.97 2uxx n LEU 329 N 2.72 0.45 0.00 1.23 4.77 0.28 -4.91 117.00 121.54 2uxx n LEU 329 Ca 0.02 -0.28 0.00 0.00 -0.03 0.00 0.00 56.01 55.72 2uxx n LEU 329 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2uxx n LEU 329 CO 0.51 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.29 2uxx n GLY 330 N 1.45 2.39 3.70 -0.72 0.00 -1.13 -4.73 105.19 106.15 2uxx n GLY 330 Ca 0.00 -0.38 -0.39 0.00 0.00 0.00 0.00 46.02 45.25 2uxx n GLY 330 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uxx n ALA 331 N -3.00 1.20 0.00 4.61 0.00 -0.86 -4.90 120.51 117.56 2uxx n ALA 331 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 2uxx n ALA 331 Cb 0.00 -2.27 0.00 0.00 0.00 0.00 0.00 19.45 17.18 2uxx n ALA 331 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2uxx n MET 332 N -0.55 2.28 -4.35 0.00 0.00 -1.26 -4.76 117.12 108.47 2uxx n MET 332 Ca 0.09 0.00 -0.34 0.00 0.00 0.00 0.00 57.70 57.45 2uxx n MET 332 Cb 0.43 -0.38 -0.11 0.00 0.00 0.00 0.00 33.22 33.17 2uxx n MET 332 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 175.97 176.05 2uxx s VAL 333 N -0.50 4.17 -0.20 1.12 1.01 -1.26 -3.54 120.40 121.20 2uxx s VAL 333 Ca 0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 2uxx s VAL 333 Cb 0.00 -2.80 -0.05 0.00 0.00 0.00 0.00 36.38 33.53 2uxx s VAL 333 CO 0.00 0.54 0.13 -0.69 0.00 0.00 0.00 175.10 175.08 2uxx s VAL 334 N -0.24 5.33 -0.89 2.92 1.01 -0.61 -4.94 120.40 122.98 2uxx s VAL 334 Ca 0.05 0.16 -0.12 0.00 0.00 0.00 0.00 61.98 62.08 2uxx s VAL 334 Cb -0.12 -3.44 0.23 0.00 0.00 0.00 0.00 36.38 33.05 2uxx s VAL 334 CO 0.02 0.43 0.83 0.42 0.00 0.00 0.00 175.10 176.80 2uxx s THR 335 N 0.46 5.56 0.31 3.92 -4.23 -1.26 -1.17 115.64 119.23 2uxx s THR 335 Ca 0.07 -2.78 0.00 0.00 -1.18 0.00 0.00 61.69 57.80 2uxx s THR 335 Cb -0.12 -4.42 0.00 0.00 1.34 0.00 0.00 72.50 69.31 2uxx s THR 335 CO -0.01 -1.06 0.00 0.61 -0.54 0.00 0.00 174.62 173.62 2uxx n GLY 336 N 3.57 -3.71 0.02 3.99 0.00 -1.23 -4.48 105.19 103.36 2uxx n GLY 336 Ca 0.16 -0.98 0.11 0.00 0.00 0.00 0.00 46.02 45.31 2uxx n GLY 336 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2uxx n LEU 337 N -1.50 0.19 -4.56 0.99 4.77 -1.17 -4.49 117.00 111.23 2uxx n LEU 337 Ca 0.00 -0.01 -0.39 0.00 -0.03 0.00 0.00 56.01 55.58 2uxx n LEU 337 Cb 0.12 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.18 2uxx n LEU 337 CO 0.00 0.00 1.62 -0.83 -1.33 0.00 0.00 177.39 176.86 2uxx s GLY 338 N -4.35 0.25 0.00 -0.72 0.00 -0.56 -2.28 107.32 99.66 2uxx s GLY 338 Ca -0.05 -0.45 0.00 0.00 0.00 0.00 0.00 44.72 44.21 2uxx s GLY 338 CO 0.89 3.44 0.00 0.61 0.00 0.00 0.00 173.10 178.04 2uxx n GLY 339 N 5.67 1.44 3.68 0.20 0.00 -1.26 -2.73 105.19 112.19 2uxx n GLY 339 Ca 0.22 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.82 2uxx n GLY 339 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2uxx s ASN 340 N -1.95 6.94 0.56 1.61 3.84 -0.96 -4.57 114.94 120.40 2uxx s ASN 340 Ca 0.00 1.86 0.37 0.00 0.21 0.00 0.00 52.86 55.31 2uxx s ASN 340 Cb 0.00 -2.55 2.03 0.00 -0.55 0.00 0.00 41.25 40.18 2uxx s ASN 340 CO 0.00 -0.70 2.14 1.55 -2.79 0.00 0.00 177.10 177.30 2uxx h PRO 341 N 7.96 0.00 0.00 0.43 0.13 -1.88 -2.29 132.00 136.35 2uxx h PRO 341 Ca -0.32 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 2uxx h PRO 341 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2uxx h PRO 341 CO 0.92 0.00 0.00 -1.33 -0.23 0.00 0.00 178.00 177.36 2uxx n MET 342 N -2.81 0.17 -0.03 0.86 2.81 -1.26 -2.61 117.12 114.25 2uxx n MET 342 Ca -0.02 0.36 -0.09 0.00 -1.81 0.00 0.00 57.70 56.14 2uxx n MET 342 Cb 0.06 -1.80 0.07 0.00 -0.71 0.00 0.00 33.22 30.84 2uxx n MET 342 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2uxx h ALA 343 N 2.35 0.76 -0.10 3.04 0.00 -1.69 -0.88 119.26 122.74 2uxx h ALA 343 Ca 0.00 -0.46 -0.07 0.00 0.00 0.00 0.00 54.91 54.38 2uxx h ALA 343 Cb 0.39 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2uxx h ALA 343 CO 0.00 0.66 -0.22 0.28 0.00 0.00 0.00 179.25 179.97 2uxx h VAL 344 N 0.52 1.40 -0.85 0.00 2.07 -1.69 -3.20 116.25 114.50 2uxx h VAL 344 Ca 0.04 -1.53 0.03 0.00 0.82 0.00 0.00 66.70 66.06 2uxx h VAL 344 Cb 0.96 2.15 -0.05 0.00 -1.52 0.00 0.00 31.29 32.83 2uxx h VAL 344 CO 0.09 0.44 0.56 0.58 0.02 0.00 0.00 177.57 179.26 2uxx h VAL 345 N -0.13 1.15 0.00 2.57 2.07 -1.45 -1.17 116.25 119.28 2uxx h VAL 345 Ca -0.00 -0.37 0.00 0.00 0.82 0.00 0.00 66.70 67.15 2uxx h VAL 345 Cb 0.82 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 2uxx h VAL 345 CO 0.05 0.19 0.00 -1.54 0.02 0.00 0.00 177.57 176.29 2uxx n SER 346 N -4.44 0.24 -0.00 0.57 3.41 -0.35 -0.34 113.62 112.71 2uxx n SER 346 Ca 0.11 0.56 0.11 0.00 -0.26 0.00 0.00 58.87 59.39 2uxx n SER 346 Cb 0.10 -0.61 -0.15 0.00 -0.26 0.00 0.00 64.21 63.29 2uxx n SER 346 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 2uxx n LYS 347 N -1.77 0.57 -0.05 4.33 5.02 -0.48 -4.28 118.16 121.49 2uxx n LYS 347 Ca 0.03 -0.15 -0.07 0.00 -2.02 0.00 0.00 58.31 56.09 2uxx n LYS 347 Cb 0.17 -1.54 -0.14 0.00 -0.02 0.00 0.00 35.03 33.50 2uxx n LYS 347 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2uxx n GLN 348 N -2.18 0.66 -4.28 1.97 6.02 -0.67 -4.88 117.38 114.02 2uxx n GLN 348 Ca -0.03 0.14 -0.30 0.00 -0.01 0.00 0.00 57.00 56.80 2uxx n GLN 348 Cb 0.54 -1.67 -0.11 0.00 1.02 0.00 0.00 30.24 30.02 2uxx n GLN 348 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2uxx s VAL 349 N -2.63 3.15 -0.95 5.09 1.01 0.53 -4.96 120.40 121.64 2uxx s VAL 349 Ca -0.07 -1.35 -0.19 0.00 0.00 0.00 0.00 61.98 60.38 2uxx s VAL 349 Cb 0.07 -2.46 -0.11 0.00 0.00 0.00 0.00 36.38 33.89 2uxx s VAL 349 CO 0.83 0.12 2.02 -3.20 0.00 0.00 0.00 175.10 174.87 2uxx n ASN 350 N 0.79 3.07 -4.65 3.32 2.85 -1.26 -4.61 115.26 114.76 2uxx n ASN 350 Ca -0.14 -2.69 -0.39 0.00 -0.11 0.00 0.00 54.58 51.24 2uxx n ASN 350 Cb 0.52 -1.24 -0.07 0.00 1.24 0.00 0.00 39.78 40.23 2uxx n ASN 350 CO 0.00 0.00 0.00 -0.04 -2.11 0.00 0.00 177.26 175.11 2uxx s MET 351 N 4.44 4.15 -1.09 1.20 -1.94 -1.26 -4.95 119.30 119.85 2uxx s MET 351 Ca 0.54 0.38 -0.12 0.00 -1.71 0.00 0.00 55.69 54.78 2uxx s MET 351 Cb 0.14 -3.59 0.22 0.00 2.01 0.00 0.00 34.83 33.61 2uxx s MET 351 CO 0.06 -0.22 1.18 -2.00 -0.01 0.00 0.00 175.02 174.03 2uxx s GLU 352 N 1.88 4.04 0.08 2.03 2.12 -1.26 -5.02 118.70 122.56 2uxx s GLU 352 Ca 0.23 -2.77 -0.30 0.00 0.36 0.00 0.00 54.97 52.49 2uxx s GLU 352 Cb -0.15 -4.75 -0.05 0.00 0.26 0.00 0.00 34.13 29.43 2uxx s GLU 352 CO 0.09 -1.48 0.99 -0.51 -0.54 0.00 0.00 175.26 173.81 2uxx s LEU 353 N 0.27 4.45 -0.05 2.70 1.43 -1.26 -0.83 118.68 125.38 2uxx s LEU 353 Ca 0.34 1.78 0.02 0.00 -1.03 0.00 0.00 54.13 55.23 2uxx s LEU 353 Cb -0.07 -3.58 0.02 0.00 0.03 0.00 0.00 46.19 42.58 2uxx s LEU 353 CO -0.05 -0.16 -0.08 0.00 0.23 0.00 0.00 176.35 176.28 2uxx s ALA 354 N 0.37 0.95 0.55 4.21 0.00 -0.82 -4.93 121.76 122.09 2uxx s ALA 354 Ca 0.49 -0.22 -0.21 0.00 0.00 0.00 0.00 51.96 52.02 2uxx s ALA 354 Cb -0.23 -0.49 -0.05 0.00 0.00 0.00 0.00 23.12 22.35 2uxx s ALA 354 CO 0.30 0.05 1.27 1.63 0.00 0.00 0.00 175.76 179.00 2uxx n LYS 355 N 3.93 1.50 -3.43 0.00 5.02 -1.26 -1.62 118.16 122.30 2uxx n LYS 355 Ca -0.24 0.56 -0.40 0.00 -2.02 0.00 0.00 58.31 56.21 2uxx n LYS 355 Cb 0.51 -2.47 -0.10 0.00 -0.02 0.00 0.00 35.03 32.96 2uxx n LYS 355 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2uxx s ILE 356 N -1.33 5.19 -0.19 -0.18 1.01 -0.92 -4.87 121.20 119.92 2uxx s ILE 356 Ca 0.72 0.18 -0.29 0.00 0.00 0.00 0.00 60.65 61.26 2uxx s ILE 356 Cb -0.43 -3.75 -0.02 0.00 0.01 0.00 0.00 42.46 38.27 2uxx s ILE 356 CO 0.49 0.01 1.40 -0.54 0.00 0.00 0.00 174.94 176.30 2uxx s LYS 357 N 1.99 4.07 0.00 2.79 1.02 -1.26 -4.88 119.74 123.46 2uxx s LYS 357 Ca 0.12 1.64 0.16 0.00 0.02 0.00 0.00 55.97 57.91 2uxx s LYS 357 Cb -0.16 -3.88 0.97 0.00 -0.52 0.00 0.00 37.83 34.23 2uxx s LYS 357 CO 0.11 -0.94 1.41 1.04 -0.92 0.00 0.00 175.35 176.05 2uxx n GLN 358 N 7.06 0.66 -2.44 1.68 1.13 -1.26 -4.59 117.38 119.62 2uxx n GLN 358 Ca 0.16 0.00 -0.43 0.00 -1.94 0.00 0.00 57.00 54.79 2uxx n GLN 358 Cb 0.45 -1.38 -0.02 0.00 0.11 0.00 0.00 30.24 29.40 2uxx n GLN 358 CO 0.00 0.00 0.00 0.21 -1.44 0.00 0.00 177.06 175.83 2uxx s LYS 359 N -2.00 3.87 -0.34 -1.09 2.20 -1.26 -4.98 119.74 116.14 2uxx s LYS 359 Ca 0.24 1.15 0.02 0.00 -0.36 0.00 0.00 55.97 57.02 2uxx s LYS 359 Cb 0.11 -3.89 0.10 0.00 -1.51 0.00 0.00 37.83 32.64 2uxx s LYS 359 CO 0.19 -1.18 0.08 0.00 -0.36 0.00 0.00 175.35 174.08 2uxx s PRO 361 N 1.16 4.57 0.07 0.00 0.02 -1.26 -4.82 135.00 134.75 2uxx s PRO 361 Ca 0.11 1.81 0.04 0.00 0.02 0.00 0.00 61.00 62.97 2uxx s PRO 361 Cb -0.19 -3.12 -0.04 0.00 0.02 0.00 0.00 34.50 31.17 2uxx s PRO 361 CO -0.15 0.15 0.03 -0.51 -0.33 0.00 0.00 177.00 176.19 2uxx s LEU 362 N -1.58 3.60 -0.07 -5.54 1.43 -1.26 -1.10 118.68 114.15 2uxx s LEU 362 Ca 0.46 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.47 2uxx s LEU 362 Cb -0.32 -2.28 0.02 0.00 0.03 0.00 0.00 46.19 43.65 2uxx s LEU 362 CO 0.41 0.19 -0.06 -0.31 0.23 0.00 0.00 176.35 176.80 2uxx s TYR 363 N -1.31 1.11 1.00 0.29 1.51 -0.58 -1.48 117.35 117.88 2uxx s TYR 363 Ca 0.26 -0.43 -0.12 0.00 -1.01 0.00 0.00 57.07 55.77 2uxx s TYR 363 Cb -0.12 -0.95 0.19 0.00 -0.11 0.00 0.00 41.96 40.97 2uxx s TYR 363 CO 0.19 -0.33 1.10 -1.21 -1.11 0.00 0.00 175.55 174.19 2uxx s GLU 364 N 1.28 0.43 0.37 -0.62 2.02 -0.69 -0.38 118.70 121.10 2uxx s GLU 364 Ca -0.04 0.47 0.15 0.00 0.02 0.00 0.00 54.97 55.56 2uxx s GLU 364 Cb -0.14 -1.74 1.02 0.00 0.10 0.00 0.00 34.13 33.37 2uxx s GLU 364 CO -0.02 -2.72 1.75 0.00 0.02 0.00 0.00 175.26 174.29 2uxx h ALA 365 N -1.89 2.06 0.00 5.21 0.00 -1.81 0.14 119.26 122.96 2uxx h ALA 365 Ca -0.54 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.44 2uxx h ALA 365 Cb 1.33 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 2uxx h ALA 365 CO 0.58 -0.49 -0.04 -2.95 0.00 0.00 0.00 179.25 176.36 2uxx h ASN 366 N 0.47 0.00 0.00 0.00 -1.07 -1.91 -3.47 115.58 109.60 2uxx h ASN 366 Ca 0.62 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.99 2uxx h ASN 366 Cb 1.39 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.64 2uxx h ASN 366 CO -0.37 0.04 0.00 0.61 0.07 0.00 0.00 177.43 177.78 2uxx n GLY 367 N -0.04 0.64 3.75 9.14 0.00 0.48 -4.86 105.19 114.30 2uxx n GLY 367 Ca 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.62 2uxx n GLY 367 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2uxx s GLN 368 N -0.62 4.73 0.86 1.61 -0.21 -1.26 -4.52 119.66 120.25 2uxx s GLN 368 Ca 0.00 1.36 -0.10 0.00 0.02 0.00 0.00 55.36 56.64 2uxx s GLN 368 Cb 0.00 -3.30 0.11 0.00 1.00 0.00 0.00 33.01 30.83 2uxx s GLN 368 CO 0.00 0.46 1.13 0.00 -2.12 0.00 0.00 175.29 174.77 2uxx s ALA 369 N -0.89 1.74 -0.30 6.09 0.00 -1.26 -1.71 121.76 125.43 2uxx s ALA 369 Ca 0.40 0.50 -0.12 0.00 0.00 0.00 0.00 51.96 52.75 2uxx s ALA 369 Cb -0.24 -3.40 -0.03 0.00 0.00 0.00 0.00 23.12 19.45 2uxx s ALA 369 CO 0.29 -2.42 0.20 0.08 0.00 0.00 0.00 175.76 173.92 2uxx s VAL 370 N -2.70 5.23 0.61 0.00 1.01 -0.55 -4.82 120.40 119.17 2uxx s VAL 370 Ca 0.65 -0.03 -0.19 0.00 0.00 0.00 0.00 61.98 62.41 2uxx s VAL 370 Cb -0.21 -3.58 -0.03 0.00 0.00 0.00 0.00 36.38 32.56 2uxx s VAL 370 CO 0.57 0.14 1.24 -0.81 0.00 0.00 0.00 175.10 176.24 2uxx n PRO 371 N 5.07 1.23 -0.32 2.72 -0.04 -1.26 -4.70 135.00 137.70 2uxx n PRO 371 Ca -0.14 0.47 0.17 0.00 -0.04 0.00 0.00 63.50 63.97 2uxx n PRO 371 Cb 0.51 -2.46 0.37 0.00 -0.04 0.00 0.00 33.50 31.88 2uxx n PRO 371 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2uxx h LYS 372 N 0.77 0.35 -0.06 0.54 1.57 -1.99 -1.83 116.57 115.93 2uxx h LYS 372 Ca -0.50 -0.02 0.03 0.00 -1.87 0.00 0.00 60.65 58.29 2uxx h LYS 372 Cb 1.34 -0.08 -0.04 0.00 0.08 0.00 0.00 32.23 33.53 2uxx h LYS 372 CO 0.54 0.23 -0.15 0.93 -0.57 0.00 0.00 179.45 180.43 2uxx h GLU 373 N 0.36 -0.21 -0.21 3.15 5.08 -2.00 -1.62 114.58 119.14 2uxx h GLU 373 Ca 0.63 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.95 2uxx h GLU 373 Cb 1.30 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 2uxx h GLU 373 CO -0.57 -0.14 -0.10 0.87 -1.00 0.00 0.00 179.01 178.07 2uxx h LYS 374 N -0.22 0.43 -0.44 2.33 1.79 -1.73 -2.16 116.57 116.57 2uxx h LYS 374 Ca 0.07 -0.19 0.08 0.00 -2.18 0.00 0.00 60.65 58.44 2uxx h LYS 374 Cb 0.32 -0.01 -0.07 0.00 -1.58 0.00 0.00 32.23 30.88 2uxx h LYS 374 CO -0.19 0.72 -0.02 0.22 -1.08 0.00 0.00 179.45 179.10 2uxx h ASP 375 N 0.13 -0.22 -0.03 0.86 3.58 -1.25 -0.43 116.42 119.06 2uxx h ASP 375 Ca 0.05 0.11 -0.17 0.00 0.42 0.00 0.00 57.03 57.43 2uxx h ASP 375 Cb 0.59 0.20 -0.00 0.00 1.72 0.00 0.00 39.33 41.84 2uxx h ASP 375 CO 0.03 -0.07 -0.58 -0.33 -2.88 0.00 0.00 179.24 175.41 2uxx h GLU 376 N 0.09 0.63 -0.53 0.28 5.08 -1.33 -2.52 114.58 116.28 2uxx h GLU 376 Ca 0.22 -0.41 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 2uxx h GLU 376 Cb 0.32 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.61 2uxx h GLU 376 CO -0.38 1.03 0.04 0.52 -1.00 0.00 0.00 179.01 179.22 2uxx h MET 377 N 0.47 0.90 -0.21 2.33 2.86 -0.89 -1.77 114.93 118.63 2uxx h MET 377 Ca 0.00 -0.27 -0.17 0.00 -2.06 0.00 0.00 59.70 57.21 2uxx h MET 377 Cb 1.15 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 32.72 2uxx h MET 377 CO 0.11 0.91 -0.52 0.28 1.06 0.00 0.00 176.91 178.75 2uxx h VAL 378 N 0.78 1.30 -0.64 -2.22 2.07 -1.14 -2.39 116.25 114.02 2uxx h VAL 378 Ca 0.15 -1.73 -0.03 0.00 0.82 0.00 0.00 66.70 65.91 2uxx h VAL 378 Cb 0.47 1.83 -0.03 0.00 -1.52 0.00 0.00 31.29 32.05 2uxx h VAL 378 CO 0.02 0.55 0.28 -0.08 0.02 0.00 0.00 177.57 178.36 2uxx h GLU 379 N 0.45 0.94 -0.76 1.57 4.81 -1.43 0.21 114.58 120.36 2uxx h GLU 379 Ca -0.00 -0.16 -0.03 0.00 -0.13 0.00 0.00 59.36 59.04 2uxx h GLU 379 Cb 1.13 -0.16 -0.04 0.00 0.63 0.00 0.00 28.75 30.32 2uxx h GLU 379 CO 0.11 0.77 0.36 0.37 -0.73 0.00 0.00 179.01 179.89 2uxx h GLN 380 N 0.89 1.09 -0.31 1.92 4.15 -1.33 -1.37 115.11 120.15 2uxx h GLN 380 Ca 0.22 -0.16 -0.15 0.00 0.77 0.00 0.00 58.65 59.33 2uxx h GLN 380 Cb 0.17 -0.20 -0.01 0.00 0.21 0.00 0.00 27.48 27.65 2uxx h GLN 380 CO -0.02 0.85 -0.39 1.49 -1.93 0.00 0.00 178.83 178.82 2uxx h GLU 381 N 1.08 0.74 -0.47 1.69 4.57 -0.87 -1.48 114.58 119.84 2uxx h GLU 381 Ca 0.26 -0.39 0.00 0.00 -1.18 0.00 0.00 59.36 58.06 2uxx h GLU 381 Cb 0.12 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.70 2uxx h GLU 381 CO -0.03 1.01 0.31 0.35 -1.18 0.00 0.00 179.01 179.46 2uxx h PHE 382 N 0.61 0.60 -0.32 0.92 3.57 0.03 0.23 116.94 122.59 2uxx h PHE 382 Ca 0.05 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.45 2uxx h PHE 382 Cb 0.94 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 39.46 2uxx h PHE 382 CO 0.05 0.39 -0.24 -0.91 -2.23 0.00 0.00 178.31 175.37 2uxx h ASN 383 N 0.64 0.64 -0.15 0.41 2.35 -1.18 -2.06 115.58 116.22 2uxx h ASN 383 Ca 0.17 -0.23 -0.10 0.00 -0.55 0.00 0.00 56.30 55.59 2uxx h ASN 383 Cb -0.05 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.13 2uxx h ASN 383 CO -0.04 0.87 -0.24 0.03 -1.65 0.00 0.00 177.43 176.41 2uxx h ARG 384 N 0.55 0.60 -0.29 0.81 3.08 -0.67 -1.41 114.38 117.04 2uxx h ARG 384 Ca 0.08 -0.23 -0.15 0.00 0.07 0.00 0.00 59.98 59.75 2uxx h ARG 384 Cb 0.71 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.72 2uxx h ARG 384 CO 0.05 0.79 -0.41 -0.07 -1.07 0.00 0.00 179.97 179.27 2uxx h LEU 385 N 0.53 0.76 -0.33 3.04 3.38 -0.28 -1.71 115.31 120.69 2uxx h LEU 385 Ca 0.08 -0.35 -0.12 0.00 0.09 0.00 0.00 57.88 57.58 2uxx h LEU 385 Cb 0.69 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2uxx h LEU 385 CO 0.05 1.07 -0.27 -0.07 0.09 0.00 0.00 178.44 179.31 2uxx h LEU 386 N 0.58 0.82 -1.30 1.67 3.38 -1.18 -2.48 115.31 116.80 2uxx h LEU 386 Ca 0.05 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.54 2uxx h LEU 386 Cb 0.95 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.45 2uxx h LEU 386 CO 0.09 1.10 0.15 -0.08 0.09 0.00 0.00 178.44 179.78 2uxx h GLU 387 N 0.55 0.63 -0.43 1.13 4.81 -1.20 -2.46 114.58 117.60 2uxx h GLU 387 Ca 0.06 -0.09 -0.11 0.00 -0.13 0.00 0.00 59.36 59.08 2uxx h GLU 387 Cb 0.84 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.09 2uxx h GLU 387 CO 0.07 0.54 -0.19 0.00 -0.73 0.00 0.00 179.01 178.71 2uxx h ALA 388 N 1.54 0.85 -0.02 2.92 0.00 -1.12 -2.54 119.26 120.89 2uxx h ALA 388 Ca 0.15 -0.36 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 2uxx h ALA 388 Cb 0.17 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 2uxx h ALA 388 CO -0.01 0.64 -0.31 1.79 0.00 0.00 0.00 179.25 181.36 2uxx h THR 389 N 0.74 1.23 -0.31 0.00 1.35 -0.99 -0.30 112.91 114.63 2uxx h THR 389 Ca 0.11 -1.08 -0.13 0.00 -0.55 0.00 0.00 66.41 64.75 2uxx h THR 389 Cb 0.71 1.56 -0.00 0.00 -1.73 0.00 0.00 68.15 68.69 2uxx h THR 389 CO 0.05 0.31 -0.33 -1.28 -0.25 0.00 0.00 175.52 174.03 2uxx h SER 390 N 0.03 0.82 -0.58 5.36 0.87 -1.22 -1.34 113.55 117.49 2uxx h SER 390 Ca 0.00 -0.48 -0.05 0.00 -1.23 0.00 0.00 61.79 60.04 2uxx h SER 390 Cb 0.56 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 62.26 2uxx h SER 390 CO 0.04 1.13 0.18 0.22 -0.53 0.00 0.00 176.83 177.87 2uxx h TYR 391 N 0.53 0.94 0.00 2.24 5.03 -1.04 0.14 116.97 124.81 2uxx h TYR 391 Ca 0.05 -0.10 -0.02 0.00 2.58 0.00 0.00 58.73 61.24 2uxx h TYR 391 Cb 0.91 -0.27 -0.00 0.00 1.55 0.00 0.00 36.73 38.91 2uxx h TYR 391 CO 0.07 0.79 -0.10 1.25 -1.32 0.00 0.00 178.16 178.85 2uxx h LEU 392 N 0.82 0.00 0.00 2.82 5.85 -0.91 -0.76 115.31 123.13 2uxx h LEU 392 Ca 0.19 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.66 2uxx h LEU 392 Cb 0.29 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 2uxx h LEU 392 CO -0.00 0.10 -1.35 -0.24 -0.34 0.00 0.00 178.44 176.61 2uxx n SER 393 N -3.90 1.87 0.07 1.25 2.88 -0.52 -1.60 113.62 113.66 2uxx n SER 393 Ca -0.02 0.42 -0.21 0.00 -1.33 0.00 0.00 58.87 57.73 2uxx n SER 393 Cb 0.19 -0.95 -0.14 0.00 -0.75 0.00 0.00 64.21 62.56 2uxx n SER 393 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 2uxx h HIS 394 N -1.00 0.74 0.11 0.66 3.86 -0.78 -3.09 115.15 115.64 2uxx h HIS 394 Ca -0.37 -0.50 -0.33 0.00 -1.16 0.00 0.00 60.37 58.01 2uxx h HIS 394 Cb 1.32 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.72 2uxx h HIS 394 CO 0.08 1.36 -1.79 1.96 0.86 0.00 0.00 177.93 180.40 2uxx h GLN 395 N -0.10 0.23 -0.00 2.45 1.08 -1.34 -3.38 115.11 114.05 2uxx h GLN 395 Ca -0.16 -0.39 0.00 0.00 -1.45 0.00 0.00 58.65 56.65 2uxx h GLN 395 Cb 1.74 0.14 0.00 0.00 -0.05 0.00 0.00 27.48 29.31 2uxx h GLN 395 CO 0.19 1.18 -0.46 1.28 -0.95 0.00 0.00 178.83 180.07 2uxx n LEU 396 N -3.71 0.80 -3.13 1.46 4.77 -0.99 -4.97 117.00 111.24 2uxx n LEU 396 Ca -0.31 -0.17 -0.22 0.00 -0.03 0.00 0.00 56.01 55.28 2uxx n LEU 396 Cb 0.97 -0.17 0.02 0.00 -2.33 0.00 0.00 43.42 41.90 2uxx n LEU 396 CO 0.39 0.17 -0.03 -0.67 -1.33 0.00 0.00 177.39 175.92 2uxx n ASP 397 N -1.13 -4.97 -4.22 -1.43 2.03 -1.17 -4.89 116.55 100.77 2uxx n ASP 397 Ca 0.08 -0.30 -0.43 0.00 0.52 0.00 0.00 54.79 54.66 2uxx n ASP 397 Cb 0.35 -4.06 0.00 0.00 -0.72 0.00 0.00 41.12 36.69 2uxx n ASP 397 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 2uxx n PHE 398 N -4.20 4.15 0.12 -0.67 7.35 -0.63 -4.53 117.46 119.04 2uxx n PHE 398 Ca -0.08 -3.00 0.02 0.00 -0.76 0.00 0.00 57.45 53.63 2uxx n PHE 398 Cb 0.59 -2.36 -0.02 0.00 0.35 0.00 0.00 39.48 38.04 2uxx n PHE 398 CO 0.00 0.00 0.00 0.09 -0.76 0.00 0.00 176.76 176.09 2uxx n ASN 399 N 6.23 1.26 -3.85 -2.13 3.02 -1.26 -4.63 115.26 113.90 2uxx n ASN 399 Ca 0.45 -0.42 -0.19 0.00 -0.03 0.00 0.00 54.58 54.39 2uxx n ASN 399 Cb 0.42 1.04 -0.16 0.00 -0.61 0.00 0.00 39.78 40.47 2uxx n ASN 399 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2uxx s VAL 400 N -1.57 0.35 -0.05 2.41 1.01 -1.26 -0.85 120.40 120.44 2uxx s VAL 400 Ca 0.01 -0.00 -0.02 0.00 0.00 0.00 0.00 61.98 61.96 2uxx s VAL 400 Cb 0.02 -0.42 0.03 0.00 0.00 0.00 0.00 36.38 36.01 2uxx s VAL 400 CO 0.14 0.19 0.05 -0.22 0.00 0.00 0.00 175.10 175.26 2uxx s LEU 401 N 1.04 0.20 -1.28 3.92 2.96 -0.06 -4.85 118.68 120.60 2uxx s LEU 401 Ca -0.09 0.05 -0.07 0.00 -0.22 0.00 0.00 54.13 53.79 2uxx s LEU 401 Cb -0.14 -0.18 0.01 0.00 0.50 0.00 0.00 46.19 46.38 2uxx s LEU 401 CO -0.01 -0.24 1.12 0.59 -1.32 0.00 0.00 176.35 176.48 2uxx n ASN 402 N 5.28 -5.65 0.00 3.68 4.13 -1.26 -2.12 115.26 119.32 2uxx n ASN 402 Ca -0.04 -0.53 0.00 0.00 1.68 0.00 0.00 54.58 55.70 2uxx n ASN 402 Cb 0.50 -4.87 0.00 0.00 -1.54 0.00 0.00 39.78 33.87 2uxx n ASN 402 CO 0.00 0.00 0.00 0.59 0.28 0.00 0.00 177.26 178.13 2uxx n ASN 403 N -2.87 0.00 -4.86 6.41 3.02 -1.26 -4.98 115.26 110.72 2uxx n ASN 403 Ca -0.03 0.00 -0.35 0.00 -0.03 0.00 0.00 54.58 54.17 2uxx n ASN 403 Cb 0.57 -1.06 -0.06 0.00 -0.61 0.00 0.00 39.78 38.62 2uxx n ASN 403 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 2uxx s LYS 404 N -0.34 3.36 0.37 3.52 1.02 -0.90 -5.08 119.74 121.69 2uxx s LYS 404 Ca 0.00 -0.27 -0.28 0.00 0.02 0.00 0.00 55.97 55.45 2uxx s LYS 404 Cb 0.00 -3.08 -0.10 0.00 -0.52 0.00 0.00 37.83 34.13 2uxx s LYS 404 CO 0.00 0.72 1.35 -2.14 -0.92 0.00 0.00 175.35 174.35 2uxx s PRO 405 N -1.45 4.15 0.18 -1.68 0.02 -1.26 -0.89 135.00 134.06 2uxx s PRO 405 Ca 0.20 2.28 -0.30 0.00 0.02 0.00 0.00 61.00 63.20 2uxx s PRO 405 Cb -0.12 -2.93 -0.07 0.00 0.02 0.00 0.00 34.50 31.40 2uxx s PRO 405 CO 0.11 -0.39 0.95 0.08 -0.33 0.00 0.00 177.00 177.42 2uxx s VAL 406 N -1.18 4.27 0.43 3.83 1.01 -0.03 -4.82 120.40 123.91 2uxx s VAL 406 Ca 0.53 2.08 0.06 0.00 0.00 0.00 0.00 61.98 64.65 2uxx s VAL 406 Cb -0.41 -4.33 0.01 0.00 0.00 0.00 0.00 36.38 31.66 2uxx s VAL 406 CO 0.54 0.41 0.59 -0.94 0.00 0.00 0.00 175.10 175.70 2uxx s SER 407 N -0.63 5.66 0.26 3.32 1.04 -1.26 -2.39 113.70 119.71 2uxx s SER 407 Ca 0.44 -0.27 -0.01 0.00 0.48 0.00 0.00 55.95 56.59 2uxx s SER 407 Cb -0.25 -0.86 0.35 0.00 0.10 0.00 0.00 66.02 65.37 2uxx s SER 407 CO 0.31 -0.76 1.74 0.25 0.98 0.00 0.00 173.24 175.76 2uxx h LEU 408 N 0.58 0.69 -0.36 2.42 5.85 -1.17 -2.19 115.31 121.13 2uxx h LEU 408 Ca -0.42 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.07 2uxx h LEU 408 Cb 1.28 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 42.11 2uxx h LEU 408 CO 0.48 0.81 0.06 1.23 -0.34 0.00 0.00 178.44 180.68 2uxx h GLY 409 N 0.96 0.64 0.98 3.75 0.00 -1.19 -1.02 103.07 107.19 2uxx h GLY 409 Ca 0.12 -0.43 -0.00 0.00 0.00 0.00 0.00 47.33 47.02 2uxx h GLY 409 CO 0.03 0.40 0.23 1.46 0.00 0.00 0.00 176.54 178.65 2uxx h GLN 410 N 0.44 0.51 -0.36 4.80 4.20 -1.80 -0.31 115.11 122.59 2uxx h GLN 410 Ca 0.11 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 2uxx h GLN 410 Cb 0.35 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 2uxx h GLN 410 CO 0.01 0.39 0.21 0.00 -0.67 0.00 0.00 178.83 178.77 2uxx h ALA 411 N 1.09 0.46 -0.85 3.87 0.00 -1.30 -1.18 119.26 121.36 2uxx h ALA 411 Ca 0.14 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2uxx h ALA 411 Cb 0.01 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 2uxx h ALA 411 CO -0.02 -0.03 0.43 -0.07 0.00 0.00 0.00 179.25 179.55 2uxx h LEU 412 N 0.47 1.10 -0.15 0.00 3.38 -0.94 -1.04 115.31 118.13 2uxx h LEU 412 Ca 0.13 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2uxx h LEU 412 Cb 0.02 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.48 2uxx h LEU 412 CO -0.02 0.91 0.08 -0.08 0.09 0.00 0.00 178.44 179.42 2uxx h GLU 413 N 1.21 0.21 -0.34 1.13 4.81 -0.75 -1.11 114.58 119.75 2uxx h GLU 413 Ca 0.30 -0.03 0.02 0.00 -0.13 0.00 0.00 59.36 59.52 2uxx h GLU 413 Cb 0.09 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.40 2uxx h GLU 413 CO -0.04 0.22 0.16 0.28 -0.73 0.00 0.00 179.01 178.91 2uxx h VAL 414 N 0.15 0.98 -0.53 0.32 2.07 -0.89 -0.78 116.25 117.57 2uxx h VAL 414 Ca 0.05 -0.12 -0.00 0.00 0.82 0.00 0.00 66.70 67.45 2uxx h VAL 414 Cb 0.07 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 2uxx h VAL 414 CO -0.01 0.06 0.32 0.58 0.02 0.00 0.00 177.57 178.55 2uxx h VAL 415 N 0.34 1.16 -0.42 2.57 2.07 -1.02 -0.22 116.25 120.74 2uxx h VAL 415 Ca 0.14 -0.36 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2uxx h VAL 415 Cb 0.05 0.44 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2uxx h VAL 415 CO -0.10 0.16 0.22 0.40 0.02 0.00 0.00 177.57 178.28 2uxx h ILE 416 N 0.71 1.16 -0.79 4.57 2.04 -0.90 -1.31 117.51 123.00 2uxx h ILE 416 Ca 0.19 -0.44 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 2uxx h ILE 416 Cb -0.01 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 36.71 2uxx h ILE 416 CO -0.04 0.17 0.48 1.56 0.00 0.00 0.00 178.15 180.33 2uxx h GLN 417 N 0.55 1.07 0.00 2.37 4.20 -0.84 -1.04 115.11 121.42 2uxx h GLN 417 Ca 0.15 -0.09 -0.05 0.00 0.06 0.00 0.00 58.65 58.71 2uxx h GLN 417 Cb 0.08 -0.23 -0.01 0.00 0.30 0.00 0.00 27.48 27.62 2uxx h GLN 417 CO -0.02 0.75 -0.26 -0.07 -0.67 0.00 0.00 178.83 178.56 2uxx h LEU 418 N 1.08 0.00 -0.22 1.46 4.07 -0.69 -0.29 115.31 120.71 2uxx h LEU 418 Ca 0.28 0.00 -0.20 0.00 0.08 0.00 0.00 57.88 58.04 2uxx h LEU 418 Cb -0.05 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.68 2uxx h LEU 418 CO -0.05 0.26 -0.92 1.56 -1.08 0.00 0.00 178.44 178.21 2uxx h GLN 419 N 0.00 0.14 -0.22 1.13 1.08 -0.39 -1.87 115.11 114.98 2uxx h GLN 419 Ca -0.00 -0.17 -0.16 0.00 -1.45 0.00 0.00 58.65 56.87 2uxx h GLN 419 Cb 0.56 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 28.04 2uxx h GLN 419 CO 0.03 0.96 -0.52 0.93 -0.95 0.00 0.00 178.83 179.29 2uxx h GLU 420 N 0.07 0.63 -0.27 1.46 5.08 -0.60 -2.53 114.58 118.42 2uxx h GLU 420 Ca -0.04 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 57.93 2uxx h GLU 420 Cb 1.57 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.85 2uxx h GLU 420 CO 0.13 0.99 0.13 -0.22 -1.00 0.00 0.00 179.01 179.04 2uxx h LYS 421 N 0.49 0.38 -0.76 2.33 3.64 -0.94 -2.20 116.57 119.50 2uxx h LYS 421 Ca 0.02 -0.06 -0.02 0.00 -1.27 0.00 0.00 60.65 59.32 2uxx h LYS 421 Cb 1.07 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.78 2uxx h LYS 421 CO 0.10 0.38 0.40 1.25 -2.27 0.00 0.00 179.45 179.31 2uxx h HIS 422 N 0.29 1.07 -0.93 1.91 2.76 -1.28 0.23 115.15 119.19 2uxx h HIS 422 Ca 0.09 -0.04 0.03 0.00 -2.20 0.00 0.00 60.37 58.26 2uxx h HIS 422 Cb 0.13 -0.34 -0.05 0.00 1.55 0.00 0.00 27.41 28.69 2uxx h HIS 422 CO -0.02 0.77 0.61 0.28 -1.30 0.00 0.00 177.93 178.27 2uxx h VAL 423 N 1.06 1.17 -0.05 5.26 2.07 -1.27 0.10 116.25 124.59 2uxx h VAL 423 Ca 0.27 -0.41 -0.12 0.00 0.82 0.00 0.00 66.70 67.26 2uxx h VAL 423 Cb 0.07 -0.13 0.01 0.00 -1.52 0.00 0.00 31.29 29.72 2uxx h VAL 423 CO -0.04 0.22 -0.44 0.11 0.02 0.00 0.00 177.57 177.44 2uxx h LYS 424 N 1.19 0.39 -0.07 1.57 1.57 -0.79 -2.33 116.57 118.10 2uxx h LYS 424 Ca 0.37 -0.35 0.02 0.00 -1.87 0.00 0.00 60.65 58.82 2uxx h LYS 424 Cb -0.02 0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 2uxx h LYS 424 CO -0.12 1.00 0.22 -0.44 -0.57 0.00 0.00 179.45 179.55 2uxx h ASP 425 N -0.10 0.00 0.29 0.86 3.45 -0.20 -1.53 116.42 119.19 2uxx h ASP 425 Ca -0.04 0.00 -0.33 0.00 0.43 0.00 0.00 57.03 57.09 2uxx h ASP 425 Cb 1.11 0.00 -0.01 0.00 -0.56 0.00 0.00 39.33 39.87 2uxx h ASP 425 CO 0.09 0.00 -1.76 -0.33 -1.57 0.00 0.00 179.24 175.66 2uxx h GLU 426 N 0.00 0.25 -0.53 3.56 4.39 -0.78 -2.26 114.58 119.21 2uxx h GLU 426 Ca 0.04 -0.43 -0.03 0.00 0.34 0.00 0.00 59.36 59.28 2uxx h GLU 426 Cb 0.48 0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.26 2uxx h GLU 426 CO -0.00 1.10 0.22 1.96 -1.16 0.00 0.00 179.01 181.13 2uxx h GLN 427 N 0.07 0.79 -0.15 2.33 4.20 -1.06 -1.32 115.11 119.96 2uxx h GLN 427 Ca -0.33 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.23 2uxx h GLN 427 Cb 2.04 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 29.69 2uxx h GLN 427 CO 0.13 0.68 0.06 0.82 -0.67 0.00 0.00 178.83 179.85 2uxx h ILE 428 N 0.71 1.16 -0.63 2.54 2.04 -1.39 -2.86 117.51 119.09 2uxx h ILE 428 Ca 0.18 -0.49 0.05 0.00 1.00 0.00 0.00 64.86 65.60 2uxx h ILE 428 Cb 0.19 1.20 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 2uxx h ILE 428 CO -0.02 0.15 0.35 -0.08 0.00 0.00 0.00 178.15 178.56 2uxx h GLU 429 N 0.08 0.65 0.00 2.37 4.81 -1.24 0.90 114.58 122.15 2uxx h GLU 429 Ca 0.05 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.24 2uxx h GLU 429 Cb 0.18 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.42 2uxx h GLU 429 CO -0.00 0.43 0.00 1.25 -0.73 0.00 0.00 179.01 179.96 2uxx h HIS 430 N 0.67 0.00 0.00 0.92 2.76 -1.12 -1.96 115.15 116.43 2uxx h HIS 430 Ca 0.27 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 2uxx h HIS 430 Cb 0.14 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.10 2uxx h HIS 430 CO -0.08 0.00 -1.73 0.91 -1.30 0.00 0.00 177.93 175.74 2uxx n TRP 431 N -2.43 0.00 0.18 5.26 7.02 0.05 -2.61 117.44 124.91 2uxx n TRP 431 Ca -0.01 0.00 0.07 0.00 -1.02 0.00 0.00 57.50 56.55 2uxx n TRP 431 Cb 0.10 -0.37 0.10 0.00 -2.42 0.00 0.00 31.31 28.73 2uxx n TRP 431 CO 0.00 0.00 0.00 0.87 -2.02 0.00 0.00 177.69 176.54 2uxx h LYS 432 N 0.00 0.00 0.02 -0.99 1.57 -0.52 -1.72 116.57 114.93 2uxx h LYS 432 Ca 0.00 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.56 2uxx h LYS 432 Cb 0.73 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 2uxx h LYS 432 CO 0.00 0.24 -0.96 0.87 -0.57 0.00 0.00 179.45 179.03 2uxx h LYS 433 N 0.00 0.26 -0.09 3.15 1.57 -1.11 -2.67 116.57 117.68 2uxx h LYS 433 Ca -0.00 -0.31 -0.02 0.00 -1.87 0.00 0.00 60.65 58.45 2uxx h LYS 433 Cb 1.18 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.59 2uxx h LYS 433 CO 0.03 1.04 -0.02 0.82 -0.57 0.00 0.00 179.45 180.76 2uxx h ILE 434 N 0.13 1.29 -0.30 1.86 2.04 -1.37 -2.54 117.51 118.62 2uxx h ILE 434 Ca -0.07 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 64.84 2uxx h ILE 434 Cb 1.61 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 39.40 2uxx h ILE 434 CO 0.15 0.26 0.03 -0.37 0.00 0.00 0.00 178.15 178.22 2uxx h VAL 435 N -0.16 1.17 -0.32 1.67 -1.51 -1.36 0.43 116.25 116.18 2uxx h VAL 435 Ca 0.02 -0.64 -0.06 0.00 -1.23 0.00 0.00 66.70 64.80 2uxx h VAL 435 Cb 0.41 0.91 -0.01 0.00 -2.13 0.00 0.00 31.29 30.48 2uxx h VAL 435 CO 0.01 0.22 -0.02 0.50 -1.23 0.00 0.00 177.57 177.05 2uxx h LYS 436 N 0.44 0.58 -0.13 5.19 3.64 -1.43 0.16 116.57 125.02 2uxx h LYS 436 Ca 0.10 -0.19 -0.16 0.00 -1.27 0.00 0.00 60.65 59.13 2uxx h LYS 436 Cb 0.25 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2uxx h LYS 436 CO 0.00 0.72 -0.59 1.15 -2.27 0.00 0.00 179.45 178.47 2uxx h THR 437 N 0.37 1.35 -0.36 1.00 2.02 -1.11 -1.91 112.91 114.26 2uxx h THR 437 Ca 0.09 -1.89 -0.06 0.00 0.77 0.00 0.00 66.41 65.31 2uxx h THR 437 Cb 0.47 1.89 -0.02 0.00 -1.74 0.00 0.00 68.15 68.75 2uxx h THR 437 CO 0.02 0.58 -0.04 -0.61 0.37 0.00 0.00 175.52 175.83 2uxx h GLN 438 N 0.32 0.59 0.00 6.66 5.75 0.10 -1.43 115.11 127.11 2uxx h GLN 438 Ca -0.00 -0.15 -0.08 0.00 -0.15 0.00 0.00 58.65 58.26 2uxx h GLN 438 Cb 1.12 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.59 2uxx h GLN 438 CO 0.10 0.65 -0.40 0.93 -2.65 0.00 0.00 178.83 177.46 2uxx h GLU 439 N 0.56 0.00 -0.02 1.69 5.08 -0.46 -2.50 114.58 118.93 2uxx h GLU 439 Ca 0.11 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.32 2uxx h GLU 439 Cb 0.42 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2uxx h GLU 439 CO 0.02 0.40 -0.68 0.93 -1.00 0.00 0.00 179.01 178.68 2uxx h GLU 440 N 0.00 0.10 -0.09 2.33 5.08 -0.75 -2.32 114.58 118.93 2uxx h GLU 440 Ca -0.00 -0.08 -0.20 0.00 -1.00 0.00 0.00 59.36 58.08 2uxx h GLU 440 Cb 1.28 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 30.55 2uxx h GLU 440 CO 0.05 0.74 -0.75 1.25 -1.00 0.00 0.00 179.01 179.30 2uxx h LEU 441 N 0.07 0.59 -0.15 1.33 5.85 -1.19 -2.36 115.31 119.45 2uxx h LEU 441 Ca -0.01 -0.39 -0.00 0.00 0.84 0.00 0.00 57.88 58.31 2uxx h LEU 441 Cb 1.21 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 42.06 2uxx h LEU 441 CO 0.10 1.15 0.08 0.50 -0.34 0.00 0.00 178.44 179.92 2uxx h LYS 442 N 0.33 0.21 -0.64 1.25 3.64 -1.23 0.12 116.57 120.25 2uxx h LYS 442 Ca -0.04 -0.02 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2uxx h LYS 442 Cb 1.34 -0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 33.10 2uxx h LYS 442 CO 0.14 0.22 0.19 0.93 -2.27 0.00 0.00 179.45 178.65 2uxx h GLU 443 N 0.14 1.00 -0.44 1.90 5.08 -1.43 -1.54 114.58 119.28 2uxx h GLU 443 Ca 0.05 -0.22 -0.10 0.00 -1.00 0.00 0.00 59.36 58.09 2uxx h GLU 443 Cb 0.07 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.17 2uxx h GLU 443 CO -0.01 0.88 -0.13 1.25 -1.00 0.00 0.00 179.01 180.00 2uxx h LEU 444 N 0.93 0.88 -0.76 1.33 5.85 -1.27 -1.79 115.31 120.47 2uxx h LEU 444 Ca 0.20 -0.37 -0.08 0.00 0.84 0.00 0.00 57.88 58.47 2uxx h LEU 444 Cb 0.31 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.08 2uxx h LEU 444 CO -0.00 1.05 0.01 -0.07 -0.34 0.00 0.00 178.44 179.09 2uxx h LEU 445 N 0.70 0.93 -0.88 2.25 3.38 -0.63 -0.15 115.31 120.90 2uxx h LEU 445 Ca 0.11 -0.24 -0.08 0.00 0.09 0.00 0.00 57.88 57.75 2uxx h LEU 445 Cb 0.68 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2uxx h LEU 445 CO 0.05 0.98 -0.07 0.78 0.09 0.00 0.00 178.44 180.26 2uxx h ASN 446 N 0.88 0.73 -0.31 -0.43 2.35 -1.18 0.34 115.58 117.96 2uxx h ASN 446 Ca 0.17 -0.20 -0.08 0.00 -0.55 0.00 0.00 56.30 55.63 2uxx h ASN 446 Cb 0.50 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 2uxx h ASN 446 CO 0.02 0.84 -0.13 0.50 -1.65 0.00 0.00 177.43 177.02 2uxx h LYS 447 N 0.68 0.64 -0.65 0.81 3.64 -0.98 -2.44 116.57 118.28 2uxx h LYS 447 Ca 0.12 -0.27 -0.06 0.00 -1.27 0.00 0.00 60.65 59.17 2uxx h LYS 447 Cb 0.53 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.30 2uxx h LYS 447 CO 0.03 0.85 0.17 0.52 -2.27 0.00 0.00 179.45 178.75 2uxx h MET 448 N 0.40 1.03 -0.36 1.90 2.86 -0.73 -1.03 114.93 119.00 2uxx h MET 448 Ca 0.07 -0.24 -0.04 0.00 -2.06 0.00 0.00 59.70 57.43 2uxx h MET 448 Cb 0.64 -0.14 -0.01 0.00 0.06 0.00 0.00 31.60 32.15 2uxx h MET 448 CO 0.04 0.92 0.09 0.28 1.06 0.00 0.00 176.91 179.30 2uxx h VAL 449 N 0.95 1.23 -0.03 -2.22 2.07 -0.90 0.04 116.25 117.38 2uxx h VAL 449 Ca 0.20 -0.77 -0.10 0.00 0.82 0.00 0.00 66.70 66.86 2uxx h VAL 449 Cb 0.35 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 2uxx h VAL 449 CO 0.00 0.26 -0.44 0.78 0.02 0.00 0.00 177.57 178.19 2uxx h ASN 450 N 0.44 0.08 0.16 0.57 2.35 -1.37 -2.11 115.58 115.70 2uxx h ASN 450 Ca 0.11 -0.04 -0.20 0.00 -0.55 0.00 0.00 56.30 55.63 2uxx h ASN 450 Cb 0.31 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.65 2uxx h ASN 450 CO 0.00 0.52 -0.77 0.25 -1.65 0.00 0.00 177.43 175.78 2uxx h LEU 451 N 0.07 0.61 -1.28 1.61 5.85 -0.97 -2.40 115.31 118.80 2uxx h LEU 451 Ca 0.00 -0.41 -0.06 0.00 0.84 0.00 0.00 57.88 58.25 2uxx h LEU 451 Cb 0.82 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.65 2uxx h LEU 451 CO 0.06 1.17 -0.17 0.50 -0.34 0.00 0.00 178.44 179.67 2uxx h LYS 452 N 0.34 0.29 -0.09 1.25 3.64 -0.71 -0.57 116.57 120.72 2uxx h LYS 452 Ca -0.04 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 2uxx h LYS 452 Cb 1.37 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 33.15 2uxx h LYS 452 CO 0.14 0.46 -0.02 0.93 -2.27 0.00 0.00 179.45 178.69 2uxx h GLU 453 N 0.27 0.17 -0.30 1.90 4.39 -1.20 -1.12 114.58 118.68 2uxx h GLU 453 Ca 0.05 -0.06 -0.06 0.00 0.34 0.00 0.00 59.36 59.63 2uxx h GLU 453 Cb 0.46 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 2uxx h GLU 453 CO 0.03 0.48 -0.05 0.87 -1.16 0.00 0.00 179.01 179.18 2uxx h LYS 454 N -0.16 0.48 -0.38 2.33 1.57 -1.14 -1.32 116.57 117.95 2uxx h LYS 454 Ca 0.02 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.54 2uxx h LYS 454 Cb 0.42 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 2uxx h LYS 454 CO 0.01 0.55 -0.37 0.82 -0.57 0.00 0.00 179.45 179.89 2uxx h ILE 455 N 0.46 1.27 -0.55 1.86 2.04 -1.03 -0.64 117.51 120.92 2uxx h ILE 455 Ca 0.09 -1.54 -0.03 0.00 1.00 0.00 0.00 64.86 64.38 2uxx h ILE 455 Cb 0.38 1.36 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 2uxx h ILE 455 CO 0.02 0.52 0.23 0.50 0.00 0.00 0.00 178.15 179.41 2uxx h LYS 456 N 0.75 0.82 -0.37 2.37 3.64 -0.74 -1.22 116.57 121.83 2uxx h LYS 456 Ca 0.07 -0.15 -0.05 0.00 -1.27 0.00 0.00 60.65 59.26 2uxx h LYS 456 Cb 0.95 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.62 2uxx h LYS 456 CO 0.09 0.71 0.06 1.49 -2.27 0.00 0.00 179.45 179.53 2uxx h GLU 457 N 0.75 0.62 -0.26 1.90 4.81 -1.11 -2.73 114.58 118.56 2uxx h GLU 457 Ca 0.19 -0.17 -0.10 0.00 -0.13 0.00 0.00 59.36 59.15 2uxx h GLU 457 Cb 0.19 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2uxx h GLU 457 CO -0.02 0.69 -0.27 -0.07 -0.73 0.00 0.00 179.01 178.61 2uxx h LEU 458 N 0.46 0.51 -0.86 1.64 3.38 -0.99 -2.10 115.31 117.36 2uxx h LEU 458 Ca 0.11 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.84 2uxx h LEU 458 Cb 0.37 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.95 2uxx h LEU 458 CO 0.01 0.77 0.15 -0.74 0.09 0.00 0.00 178.44 178.72 2uxx h HIS 459 N 0.44 1.04 -0.28 1.13 2.76 -1.13 0.13 115.15 119.24 2uxx h HIS 459 Ca 0.06 -0.11 -0.15 0.00 -2.20 0.00 0.00 60.37 57.97 2uxx h HIS 459 Cb 0.70 -0.30 -0.01 0.00 1.55 0.00 0.00 27.41 29.35 2uxx h HIS 459 CO 0.02 0.86 -0.42 0.37 -1.30 0.00 0.00 177.93 177.46 2uxx h GLN 460 N 0.96 0.68 -0.40 5.26 5.75 -1.28 -1.08 115.11 124.99 2uxx h GLN 460 Ca 0.20 -0.36 -0.14 0.00 -0.15 0.00 0.00 58.65 58.20 2uxx h GLN 460 Cb 0.34 0.01 -0.01 0.00 1.07 0.00 0.00 27.48 28.89 2uxx h GLN 460 CO 0.00 0.97 -0.31 1.96 -2.65 0.00 0.00 178.83 178.80 2uxx h GLN 461 N 0.55 0.90 -0.34 1.69 4.20 -0.97 -1.69 115.11 119.45 2uxx h GLN 461 Ca 0.04 -0.43 -0.04 0.00 0.06 0.00 0.00 58.65 58.28 2uxx h GLN 461 Cb 0.96 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.72 2uxx h GLN 461 CO 0.09 1.08 0.06 -0.92 -0.67 0.00 0.00 178.83 178.47 2uxx h TYR 462 N 0.76 0.60 -0.54 2.96 5.03 -0.64 -1.27 116.97 123.86 2uxx h TYR 462 Ca 0.08 -0.08 0.01 0.00 2.58 0.00 0.00 58.73 61.32 2uxx h TYR 462 Cb 0.88 -0.16 -0.03 0.00 1.55 0.00 0.00 36.73 38.97 2uxx h TYR 462 CO 0.05 0.62 0.36 -0.22 -1.32 0.00 0.00 178.16 177.65 2uxx h LYS 463 N 0.40 0.70 -0.44 1.82 1.63 -1.10 0.15 116.57 119.74 2uxx h LYS 463 Ca 0.10 -0.04 -0.06 0.00 -0.85 0.00 0.00 60.65 59.80 2uxx h LYS 463 Cb 0.35 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 31.80 2uxx h LYS 463 CO 0.01 0.47 0.02 0.93 -3.45 0.00 0.00 179.45 177.42 2uxx h GLU 464 N 0.73 0.70 -0.03 1.90 5.08 -1.17 -2.05 114.58 119.73 2uxx h GLU 464 Ca 0.20 -0.17 -0.15 0.00 -1.00 0.00 0.00 59.36 58.24 2uxx h GLU 464 Cb -0.07 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.07 2uxx h GLU 464 CO -0.05 0.70 -0.68 0.00 -1.00 0.00 0.00 179.01 177.99 2uxx h ALA 465 N 1.36 0.80 0.00 3.43 0.00 -0.64 -3.07 119.26 121.14 2uxx h ALA 465 Ca 0.14 -0.60 -0.08 0.00 0.00 0.00 0.00 54.91 54.37 2uxx h ALA 465 Cb 0.39 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2uxx h ALA 465 CO 0.01 0.80 -0.36 0.77 0.00 0.00 0.00 179.25 180.47 2uxx h SER 466 N 0.11 0.00 0.15 0.00 0.02 -0.29 -3.09 113.55 110.46 2uxx h SER 466 Ca -0.01 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.91 2uxx h SER 466 Cb 1.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.74 2uxx h SER 466 CO 0.10 0.36 -0.11 -0.33 -1.14 0.00 0.00 176.83 175.71 2uxx h GLU 467 N 0.00 0.00 -5.79 3.45 5.08 -1.28 -3.38 114.58 112.66 2uxx h GLU 467 Ca -0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 2uxx h GLU 467 Cb 0.94 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 30.15 2uxx h GLU 467 CO 0.05 0.11 0.90 0.08 -1.00 0.00 0.00 179.01 179.14 2uxx s VAL 468 N -4.64 3.44 0.26 3.13 1.01 -1.17 -4.93 120.40 117.51 2uxx s VAL 468 Ca -0.04 -0.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.39 2uxx s VAL 468 Cb 0.15 -4.03 -0.11 0.00 0.00 0.00 0.00 36.38 32.39 2uxx s VAL 468 CO 0.65 -0.97 1.61 -0.54 0.00 0.00 0.00 175.10 175.84 2uxx s LYS 469 N 6.95 4.14 0.69 2.72 -0.14 -1.26 -4.95 119.74 127.89 2uxx s LYS 469 Ca 0.68 2.55 -0.17 0.00 -1.36 0.00 0.00 55.97 57.68 2uxx s LYS 469 Cb -0.08 -3.05 -0.03 0.00 -1.68 0.00 0.00 37.83 33.00 2uxx s LYS 469 CO 0.04 -0.64 0.79 -2.30 -0.76 0.00 0.00 175.35 172.48 2uxx n PRO 470 N 2.70 0.51 -2.33 -1.68 -0.02 -1.26 -4.52 135.00 128.39 2uxx n PRO 470 Ca 0.10 0.22 -0.34 0.00 -2.02 0.00 0.00 63.50 61.46 2uxx n PRO 470 Cb 0.37 -2.05 -0.01 0.00 -0.02 0.00 0.00 33.50 31.79 2uxx n PRO 470 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 2uxx s PRO 471 N -2.94 3.54 0.04 0.52 0.04 -1.26 -5.20 135.00 129.74 2uxx s PRO 471 Ca 0.71 1.39 -0.07 0.00 0.04 0.00 0.00 61.00 63.07 2uxx s PRO 471 Cb -0.37 -2.05 -0.01 0.00 0.04 0.00 0.00 34.50 32.11 2uxx s PRO 471 CO 0.52 -0.65 0.13 -0.98 0.04 0.00 0.00 177.00 176.06 2uxx s ARG 472 N -3.47 0.62 0.85 4.56 1.70 -1.26 -5.16 118.95 116.78 2uxx s ARG 472 Ca 0.68 -0.71 -0.11 0.00 -0.47 0.00 0.00 55.73 55.12 2uxx s ARG 472 Cb -0.18 0.25 0.11 0.00 -0.57 0.00 0.00 34.95 34.55 2uxx s ARG 472 CO 0.26 -0.16 1.15 0.16 -1.08 0.00 0.00 175.30 175.63 2uxx s ASP 473 N -2.09 3.48 0.59 -2.89 1.47 -1.26 -4.76 116.67 111.20 2uxx s ASP 473 Ca -0.05 2.15 0.31 0.00 1.18 0.00 0.00 52.55 56.14 2uxx s ASP 473 Cb -0.01 -2.56 1.84 0.00 -0.34 0.00 0.00 42.92 41.85 2uxx s ASP 473 CO -0.04 -2.73 2.25 -0.29 0.68 0.00 0.00 175.17 175.03 2uxx h ILE 474 N -1.41 0.48 -0.26 2.11 6.09 -2.01 -2.00 117.51 120.50 2uxx h ILE 474 Ca -0.44 -0.07 -0.16 0.00 -1.37 0.00 0.00 64.86 62.82 2uxx h ILE 474 Cb 1.27 1.04 -0.01 0.00 0.47 0.00 0.00 36.82 39.60 2uxx h ILE 474 CO 0.45 0.01 -0.49 0.71 -3.07 0.00 0.00 178.15 175.76 2uxx h THR 475 N 0.00 1.30 -0.13 2.19 1.35 -1.98 0.45 112.91 116.08 2uxx h THR 475 Ca -0.00 -1.69 -0.17 0.00 -0.55 0.00 0.00 66.41 63.99 2uxx h THR 475 Cb 0.04 1.62 -0.01 0.00 -1.73 0.00 0.00 68.15 68.08 2uxx h THR 475 CO 0.00 0.54 -0.64 0.00 -0.25 0.00 0.00 175.52 175.18 2uxx h ALA 476 N 0.88 0.65 -0.09 6.62 0.00 -1.78 -2.48 119.26 123.07 2uxx h ALA 476 Ca 0.03 -0.56 -0.14 0.00 0.00 0.00 0.00 54.91 54.24 2uxx h ALA 476 Cb 1.06 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2uxx h ALA 476 CO 0.10 0.72 -0.56 1.49 0.00 0.00 0.00 179.25 181.00 2uxx h GLU 477 N 0.35 0.27 -0.28 0.00 4.57 -1.16 -2.96 114.58 115.37 2uxx h GLU 477 Ca -0.01 -0.17 -0.02 0.00 -1.18 0.00 0.00 59.36 57.97 2uxx h GLU 477 Cb 1.19 0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 29.79 2uxx h GLU 477 CO 0.11 0.76 0.09 0.35 -1.18 0.00 0.00 179.01 179.14 2uxx h PHE 478 N 0.21 0.45 -3.51 0.92 3.57 0.08 -3.28 116.94 115.38 2uxx h PHE 478 Ca 0.00 -0.04 -0.43 0.00 3.53 0.00 0.00 57.97 61.03 2uxx h PHE 478 Cb 1.05 -0.13 0.19 0.00 2.79 0.00 0.00 35.95 39.84 2uxx h PHE 478 CO 0.02 0.48 0.09 -1.17 -2.23 0.00 0.00 178.31 175.50 2uxx s LEU 479 N -9.74 0.82 0.00 0.59 2.96 -0.95 0.58 118.68 112.94 2uxx s LEU 479 Ca -0.13 1.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.86 2uxx s LEU 479 Cb 0.08 -2.99 0.00 0.00 0.50 0.00 0.00 46.19 43.78 2uxx s LEU 479 CO 0.73 -3.94 0.00 0.52 -1.32 0.00 0.00 176.35 172.34 2uxx n VAL 480 N -4.70 0.00 -0.20 1.68 0.31 -1.26 -3.91 118.33 110.25 2uxx n VAL 480 Ca 0.07 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.30 2uxx n VAL 480 Cb 0.57 0.00 0.02 0.00 -0.91 0.00 0.00 33.84 33.52 2uxx n VAL 480 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2uxx h LYS 481 N 0.00 1.05 -0.17 5.55 1.57 -1.61 0.94 116.57 123.91 2uxx h LYS 481 Ca 0.00 -0.37 -0.12 0.00 -1.87 0.00 0.00 60.65 58.29 2uxx h LYS 481 Cb 0.00 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.22 2uxx h LYS 481 CO 0.00 1.06 -0.42 1.03 -0.57 0.00 0.00 179.45 180.55 2uxx h SER 482 N 0.94 0.42 1.02 0.86 0.87 0.02 -1.85 113.55 115.83 2uxx h SER 482 Ca 0.16 -0.18 -0.19 0.00 -1.23 0.00 0.00 61.79 60.34 2uxx h SER 482 Cb 0.63 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.44 2uxx h SER 482 CO 0.04 0.79 -0.92 0.11 -0.53 0.00 0.00 176.83 176.32 2uxx h LYS 483 N 0.32 0.00 -0.20 2.24 1.79 -1.70 -2.66 116.57 116.36 2uxx h LYS 483 Ca 0.03 0.00 -0.02 0.00 -2.18 0.00 0.00 60.65 58.48 2uxx h LYS 483 Cb 0.88 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.52 2uxx h LYS 483 CO 0.07 0.92 0.04 1.25 -1.08 0.00 0.00 179.45 180.66 2uxx h HIS 484 N 0.00 0.35 -0.61 -1.35 2.76 0.12 -0.01 115.15 116.41 2uxx h HIS 484 Ca -0.01 -0.04 -0.03 0.00 -2.20 0.00 0.00 60.37 58.09 2uxx h HIS 484 Cb 1.68 -0.10 -0.03 0.00 1.55 0.00 0.00 27.41 30.51 2uxx h HIS 484 CO 0.00 0.46 0.27 -0.09 -1.30 0.00 0.00 177.93 177.27 2uxx h ARG 485 N 0.14 0.89 -0.41 5.26 2.43 -1.38 -0.00 114.38 121.30 2uxx h ARG 485 Ca 0.06 -0.14 -0.10 0.00 -0.81 0.00 0.00 59.98 58.99 2uxx h ARG 485 Cb 0.29 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 2uxx h ARG 485 CO 0.00 0.73 -0.13 -0.44 -1.51 0.00 0.00 179.97 178.62 2uxx h ASP 486 N 0.83 0.74 -0.04 -3.80 3.32 -1.33 -0.91 116.42 115.24 2uxx h ASP 486 Ca 0.21 -0.23 -0.18 0.00 0.02 0.00 0.00 57.03 56.84 2uxx h ASP 486 Cb 0.15 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.50 2uxx h ASP 486 CO -0.02 0.89 -0.63 0.25 -1.72 0.00 0.00 179.24 178.02 2uxx h LEU 487 N 0.68 0.75 -0.36 1.55 5.85 -0.72 -2.12 115.31 120.94 2uxx h LEU 487 Ca 0.11 -0.43 -0.08 0.00 0.84 0.00 0.00 57.88 58.32 2uxx h LEU 487 Cb 0.61 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2uxx h LEU 487 CO 0.04 1.19 -0.08 0.74 -0.34 0.00 0.00 178.44 180.00 2uxx h THR 488 N 0.48 1.28 -0.61 1.05 2.02 -0.84 -1.65 112.91 114.64 2uxx h THR 488 Ca -0.01 -1.13 -0.03 0.00 0.77 0.00 0.00 66.41 66.01 2uxx h THR 488 Cb 1.21 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 68.87 2uxx h THR 488 CO 0.12 0.37 0.28 0.00 0.37 0.00 0.00 175.52 176.67 2uxx h ALA 489 N 0.83 0.79 0.00 6.16 0.00 -1.15 -2.14 119.26 123.73 2uxx h ALA 489 Ca 0.09 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2uxx h ALA 489 Cb 0.58 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2uxx h ALA 489 CO 0.03 0.37 -0.20 -0.07 0.00 0.00 0.00 179.25 179.38 2uxx h LEU 490 N 0.84 0.00 -0.37 0.00 3.38 -1.33 -2.81 115.31 115.02 2uxx h LEU 490 Ca 0.21 0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.99 2uxx h LEU 490 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2uxx h LEU 490 CO -0.02 0.20 -0.81 0.00 0.09 0.00 0.00 178.44 177.90 2uxx h LYS 492 N 0.14 0.72 -0.85 0.00 6.56 -1.16 -2.63 116.57 119.36 2uxx h LYS 492 Ca -0.04 -0.26 0.04 0.00 -1.06 0.00 0.00 60.65 59.33 2uxx h LYS 492 Cb 1.40 -0.05 -0.05 0.00 -0.57 0.00 0.00 32.23 32.96 2uxx h LYS 492 CO 0.13 0.85 0.54 0.93 -2.06 0.00 0.00 179.45 179.83 2uxx h GLU 493 N 0.53 1.01 -0.63 3.15 5.08 -1.45 -2.16 114.58 120.11 2uxx h GLU 493 Ca 0.10 -0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.32 2uxx h GLU 493 Cb 0.56 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2uxx h GLU 493 CO 0.03 0.67 0.06 -0.92 -1.00 0.00 0.00 179.01 177.85 2uxx h TYR 494 N 1.04 1.14 -0.57 4.33 3.20 -1.37 -1.79 116.97 122.95 2uxx h TYR 494 Ca 0.34 -0.17 -0.07 0.00 3.14 0.00 0.00 58.73 61.97 2uxx h TYR 494 Cb 0.04 -0.31 -0.02 0.00 1.54 0.00 0.00 36.73 37.98 2uxx h TYR 494 CO -0.02 0.98 0.06 -0.44 -1.64 0.00 0.00 178.16 177.10 2uxx h ASP 495 N 0.99 0.89 0.46 -2.11 3.32 -1.07 0.10 116.42 119.00 2uxx h ASP 495 Ca 0.19 -0.21 -0.14 0.00 0.02 0.00 0.00 57.03 56.89 2uxx h ASP 495 Cb 0.48 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2uxx h ASP 495 CO 0.02 0.91 -0.61 -0.33 -1.72 0.00 0.00 179.24 177.51 2uxx h GLU 496 N 0.88 0.15 -0.00 3.56 5.08 -1.26 -1.41 114.58 121.56 2uxx h GLU 496 Ca 0.17 -0.10 -0.21 0.00 -1.00 0.00 0.00 59.36 58.22 2uxx h GLU 496 Cb 0.43 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.69 2uxx h GLU 496 CO 0.01 0.71 -0.89 -0.07 -1.00 0.00 0.00 179.01 177.77 2uxx h LEU 497 N 0.11 0.40 -0.70 1.33 4.07 -0.95 -2.66 115.31 116.90 2uxx h LEU 497 Ca -0.01 -0.31 -0.09 0.00 0.08 0.00 0.00 57.88 57.55 2uxx h LEU 497 Cb 1.10 -0.12 -0.01 0.00 1.08 0.00 0.00 40.66 42.71 2uxx h LEU 497 CO 0.09 1.11 -0.42 0.00 -1.08 0.00 0.00 178.44 178.14 2uxx h ALA 498 N 0.87 0.90 -0.07 1.53 0.00 -0.67 -2.03 119.26 119.79 2uxx h ALA 498 Ca -0.06 -0.38 -0.16 0.00 0.00 0.00 0.00 54.91 54.32 2uxx h ALA 498 Cb 1.52 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2uxx h ALA 498 CO 0.15 0.52 -0.65 1.49 0.00 0.00 0.00 179.25 180.75 2uxx h GLU 499 N 0.00 0.27 0.00 0.00 4.81 -1.17 -2.70 114.58 115.79 2uxx h GLU 499 Ca -0.00 -0.20 -0.17 0.00 -0.13 0.00 0.00 59.36 58.86 2uxx h GLU 499 Cb 1.03 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.42 2uxx h GLU 499 CO 0.05 0.83 -0.79 1.15 -0.73 0.00 0.00 179.01 179.52 2uxx h THR 500 N 0.19 1.49 -0.55 0.32 2.02 -1.22 -3.15 112.91 112.02 2uxx h THR 500 Ca -0.01 -2.77 -0.09 0.00 0.77 0.00 0.00 66.41 64.31 2uxx h THR 500 Cb 1.18 2.52 -0.02 0.00 -1.74 0.00 0.00 68.15 70.10 2uxx h THR 500 CO 0.10 0.77 -0.01 -0.61 0.37 0.00 0.00 175.52 176.14 2uxx h GLN 501 N 0.00 0.95 -0.17 6.66 4.15 -1.14 -2.20 115.11 123.36 2uxx h GLN 501 Ca -0.01 -0.29 -0.11 0.00 0.77 0.00 0.00 58.65 59.01 2uxx h GLN 501 Cb 1.46 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 29.05 2uxx h GLN 501 CO 0.10 0.95 -0.37 0.78 -1.93 0.00 0.00 178.83 178.36 2uxx h GLY 502 N 0.99 0.40 0.98 2.39 0.00 -1.49 -1.00 103.07 105.35 2uxx h GLY 502 Ca 0.16 -0.38 -0.15 0.00 0.00 0.00 0.00 47.33 46.96 2uxx h GLY 502 CO 0.03 0.34 -0.46 0.50 0.00 0.00 0.00 176.54 176.94 2uxx h LYS 503 N 0.31 0.66 -0.23 4.80 1.57 -1.47 -2.85 116.57 119.37 2uxx h LYS 503 Ca 0.03 -0.45 -0.19 0.00 -1.87 0.00 0.00 60.65 58.18 2uxx h LYS 503 Cb 0.80 0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.18 2uxx h LYS 503 CO 0.06 1.07 -0.61 -0.07 -0.57 0.00 0.00 179.45 179.34 2uxx h LEU 504 N 0.35 0.87 -0.79 2.94 3.38 -1.37 -2.17 115.31 118.52 2uxx h LEU 504 Ca -0.00 -0.49 0.02 0.00 0.09 0.00 0.00 57.88 57.49 2uxx h LEU 504 Cb 1.08 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 41.53 2uxx h LEU 504 CO 0.10 1.27 0.51 -0.08 0.09 0.00 0.00 178.44 180.34 2uxx h GLU 505 N 0.57 1.01 0.00 1.13 4.81 -1.22 -1.50 114.58 119.38 2uxx h GLU 505 Ca -0.00 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.04 2uxx h GLU 505 Cb 1.20 -0.23 -0.02 0.00 0.63 0.00 0.00 28.75 30.34 2uxx h GLU 505 CO 0.13 0.67 -0.61 1.05 -0.73 0.00 0.00 179.01 179.51 2uxx h GLU 506 N 1.04 0.00 -0.03 1.92 4.11 -1.52 -2.87 114.58 117.22 2uxx h GLU 506 Ca 0.30 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.65 2uxx h GLU 506 Cb -0.08 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2uxx h GLU 506 CO -0.08 0.61 -0.36 -0.22 0.07 0.00 0.00 179.01 179.03 2uxx h LYS 507 N 0.00 0.06 0.03 1.06 3.64 -0.88 -1.31 116.57 119.17 2uxx h LYS 507 Ca -0.01 -0.02 -0.22 0.00 -1.27 0.00 0.00 60.65 59.13 2uxx h LYS 507 Cb 1.45 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 33.25 2uxx h LYS 507 CO 0.08 0.42 -1.03 -0.07 -2.27 0.00 0.00 179.45 176.58 2uxx h LEU 508 N 0.05 0.13 -0.96 5.20 3.38 -1.25 -2.91 115.31 118.96 2uxx h LEU 508 Ca 0.00 -0.14 -0.09 0.00 0.09 0.00 0.00 57.88 57.75 2uxx h LEU 508 Cb 0.67 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2uxx h LEU 508 CO 0.05 1.07 -0.43 1.56 0.09 0.00 0.00 178.44 180.78 2uxx h GLN 509 N 0.03 0.00 -0.01 1.13 4.20 -1.19 -1.71 115.11 117.55 2uxx h GLN 509 Ca -0.04 0.00 -0.14 0.00 0.06 0.00 0.00 58.65 58.52 2uxx h GLN 509 Cb 1.76 0.00 0.01 0.00 0.30 0.00 0.00 27.48 29.55 2uxx h GLN 509 CO 0.15 0.43 -0.55 1.49 -0.67 0.00 0.00 178.83 179.67 2uxx h GLU 510 N 0.00 0.40 -0.43 1.46 4.81 -1.26 -2.89 114.58 116.68 2uxx h GLU 510 Ca -0.00 -0.41 -0.11 0.00 -0.13 0.00 0.00 59.36 58.70 2uxx h GLU 510 Cb 0.90 0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 2uxx h GLU 510 CO 0.06 1.08 -0.18 -0.07 -0.73 0.00 0.00 179.01 179.17 2uxx h LEU 511 N -0.12 0.83 -1.40 1.64 3.38 -1.45 -1.94 115.31 116.24 2uxx h LEU 511 Ca -0.07 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 2uxx h LEU 511 Cb 1.26 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 2uxx h LEU 511 CO 0.11 1.00 -0.18 -0.33 0.09 0.00 0.00 178.44 179.13 2uxx h GLU 512 N 0.73 0.00 -0.00 1.13 5.08 -1.39 -2.57 114.58 117.56 2uxx h GLU 512 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2uxx h GLU 512 Cb 0.69 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.94 2uxx h GLU 512 CO 0.05 0.18 -0.63 0.00 -1.00 0.00 0.00 179.01 177.62 2uxx n ALA 513 N -2.23 3.86 -3.26 3.43 0.00 -1.04 -4.53 120.51 116.74 2uxx n ALA 513 Ca -0.00 -0.43 -0.26 0.00 0.00 0.00 0.00 53.44 52.75 2uxx n ALA 513 Cb 0.36 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 18.73 2uxx n ALA 513 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2uxx n ASN 514 N -1.43 3.42 -4.83 0.00 3.02 -0.76 -5.08 115.26 109.60 2uxx n ASN 514 Ca 0.06 -3.41 -0.32 0.00 -0.03 0.00 0.00 54.58 50.88 2uxx n ASN 514 Cb 0.34 -0.64 -0.03 0.00 -0.61 0.00 0.00 39.78 38.84 2uxx n ASN 514 CO 0.00 0.00 0.00 -2.84 -2.62 0.00 0.00 177.26 171.80 2uxx s PRO 515 N -2.60 3.86 0.38 3.52 0.02 -1.25 -4.89 135.00 134.04 2uxx s PRO 515 Ca 0.42 1.03 -0.06 0.00 0.02 0.00 0.00 61.00 62.41 2uxx s PRO 515 Cb 0.20 -2.12 0.09 0.00 0.02 0.00 0.00 34.50 32.69 2uxx s PRO 515 CO -0.06 -0.35 0.43 -0.35 -0.33 0.00 0.00 177.00 176.34 2uxx n PRO 516 N -1.54 -1.05 -1.90 5.54 -0.04 -1.26 -4.97 135.00 129.79 2uxx n PRO 516 Ca 0.07 -0.67 -0.41 0.00 -0.04 0.00 0.00 63.50 62.44 2uxx n PRO 516 Cb 0.54 -0.52 -0.02 0.00 -0.04 0.00 0.00 33.50 33.46 2uxx n PRO 516 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2uxx s SER 517 N -2.63 6.51 0.06 3.54 0.01 -1.26 -4.94 113.70 114.98 2uxx s SER 517 Ca 0.26 2.81 -0.18 0.00 1.31 0.00 0.00 55.95 60.14 2uxx s SER 517 Cb -0.01 -2.63 -0.13 0.00 0.21 0.00 0.00 66.02 63.45 2uxx s SER 517 CO 0.19 -0.81 1.34 -0.78 0.41 0.00 0.00 173.24 173.59 2uxx h ASP 518 N 4.95 0.52 -4.85 2.44 1.82 -1.93 -3.46 116.42 115.91 2uxx h ASP 518 Ca -0.46 -0.51 -0.24 0.00 -0.39 0.00 0.00 57.03 55.43 2uxx h ASP 518 Cb 1.22 -0.15 -0.15 0.00 0.68 0.00 0.00 39.33 40.93 2uxx h ASP 518 CO 0.79 0.93 -0.66 0.68 -1.61 0.00 0.00 179.24 179.37 2uxx s VAL 519 N -4.19 0.47 -0.12 2.25 -7.23 -1.26 -4.95 120.40 105.36 2uxx s VAL 519 Ca -0.13 -1.94 -0.20 0.00 -1.81 0.00 0.00 61.98 57.90 2uxx s VAL 519 Cb 0.06 -2.01 -0.18 0.00 0.56 0.00 0.00 36.38 34.81 2uxx s VAL 519 CO 0.79 -0.55 0.53 0.22 -0.31 0.00 0.00 175.10 175.78 2uxx h TYR 520 N 2.80 -0.00 -3.18 2.82 3.20 -1.90 -3.46 116.97 117.24 2uxx h TYR 520 Ca -0.36 -0.00 -0.24 0.00 3.14 0.00 0.00 58.73 61.27 2uxx h TYR 520 Cb 1.19 0.00 -0.32 0.00 1.54 0.00 0.00 36.73 39.15 2uxx h TYR 520 CO 0.51 0.66 -0.58 -0.51 -1.64 0.00 0.00 178.16 176.61 2uxx s LEU 521 N -8.35 0.55 0.96 2.82 1.43 -1.26 -5.11 118.68 109.72 2uxx s LEU 521 Ca -0.13 0.36 -0.13 0.00 -1.03 0.00 0.00 54.13 53.20 2uxx s LEU 521 Cb -0.02 0.44 0.17 0.00 0.03 0.00 0.00 46.19 46.81 2uxx s LEU 521 CO 0.47 -0.16 1.13 -0.94 0.23 0.00 0.00 176.35 177.08 2uxx s SER 522 N 1.34 3.03 0.36 2.29 1.04 -1.26 -4.70 113.70 115.80 2uxx s SER 522 Ca -0.08 0.94 0.06 0.00 0.48 0.00 0.00 55.95 57.36 2uxx s SER 522 Cb -0.11 -1.48 0.76 0.00 0.10 0.00 0.00 66.02 65.28 2uxx s SER 522 CO -0.07 -2.85 1.95 0.28 0.98 0.00 0.00 173.24 173.53 2uxx h SER 523 N -1.70 0.66 -0.21 7.02 0.02 -2.02 0.17 113.55 117.49 2uxx h SER 523 Ca -0.51 0.01 -0.17 0.00 -0.84 0.00 0.00 61.79 60.28 2uxx h SER 523 Cb 1.32 -0.13 0.00 0.00 0.14 0.00 0.00 62.40 63.73 2uxx h SER 523 CO 0.57 0.42 -0.53 -0.09 -1.14 0.00 0.00 176.83 176.06 2uxx h ARG 524 N 0.74 0.74 -0.56 3.45 2.43 -2.00 -2.79 114.38 116.39 2uxx h ARG 524 Ca 0.32 -0.51 -0.06 0.00 -0.81 0.00 0.00 59.98 58.92 2uxx h ARG 524 Cb 0.31 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2uxx h ARG 524 CO -0.11 1.13 0.11 -0.44 -1.51 0.00 0.00 179.97 179.15 2uxx h ASP 525 N 0.46 0.87 -0.15 -3.80 3.32 -1.57 -2.72 116.42 112.83 2uxx h ASP 525 Ca -0.01 -0.25 -0.06 0.00 0.02 0.00 0.00 57.03 56.74 2uxx h ASP 525 Cb 1.15 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 40.45 2uxx h ASP 525 CO 0.12 0.90 -0.07 -0.09 -1.72 0.00 0.00 179.24 178.38 2uxx h ARG 526 N 0.81 0.46 -0.43 3.56 9.65 -0.73 -1.16 114.38 126.53 2uxx h ARG 526 Ca 0.17 -0.11 -0.08 0.00 -1.10 0.00 0.00 59.98 58.86 2uxx h ARG 526 Cb 0.39 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.89 2uxx h ARG 526 CO 0.01 0.54 -0.05 1.96 2.80 0.00 0.00 179.97 185.23 2uxx h GLN 527 N 0.43 0.80 -0.12 0.20 4.20 -1.28 -0.06 115.11 119.29 2uxx h GLN 527 Ca 0.09 -0.28 -0.12 0.00 0.06 0.00 0.00 58.65 58.40 2uxx h GLN 527 Cb 0.39 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 28.10 2uxx h GLN 527 CO 0.02 0.89 -0.45 0.82 -0.67 0.00 0.00 178.83 179.44 2uxx h ILE 528 N 0.63 1.32 -0.24 2.54 2.04 -1.22 -2.58 117.51 120.00 2uxx h ILE 528 Ca 0.12 -1.63 -0.13 0.00 1.00 0.00 0.00 64.86 64.22 2uxx h ILE 528 Cb 0.56 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.36 2uxx h ILE 528 CO 0.03 0.49 -0.38 0.25 0.00 0.00 0.00 178.15 178.54 2uxx h LEU 529 N 0.23 0.58 -1.67 1.44 5.85 -0.99 -2.60 115.31 118.15 2uxx h LEU 529 Ca 0.02 -0.25 -0.04 0.00 0.84 0.00 0.00 57.88 58.45 2uxx h LEU 529 Cb 0.89 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 2uxx h LEU 529 CO 0.07 0.91 -0.17 0.44 -0.34 0.00 0.00 178.44 179.35 2uxx h ASP 530 N 0.46 0.00 -0.36 1.25 3.32 -0.62 -1.79 116.42 118.68 2uxx h ASP 530 Ca 0.04 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 57.00 2uxx h ASP 530 Cb 0.87 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.41 2uxx h ASP 530 CO 0.07 0.17 -0.13 -0.25 -1.72 0.00 0.00 179.24 177.38 2uxx h TRP 531 N 0.00 0.83 -0.55 4.55 7.01 -1.17 -0.67 115.95 125.94 2uxx h TRP 531 Ca -0.00 -0.19 -0.05 0.00 2.11 0.00 0.00 58.89 60.76 2uxx h TRP 531 Cb 0.30 -0.20 -0.03 0.00 -2.10 0.00 0.00 29.16 27.14 2uxx h TRP 531 CO 0.00 0.90 0.13 0.45 -2.79 0.00 0.00 178.44 177.13 2uxx h HIS 532 N 0.52 0.88 -0.21 2.65 3.86 -1.25 -0.06 115.15 121.53 2uxx h HIS 532 Ca 0.09 -0.08 -0.13 0.00 -1.16 0.00 0.00 60.37 59.09 2uxx h HIS 532 Cb 0.65 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 2uxx h HIS 532 CO 0.05 0.73 -0.40 0.74 0.86 0.00 0.00 177.93 179.92 2uxx h PHE 533 N 0.82 0.58 -0.45 2.45 0.04 -1.17 -2.07 116.94 117.14 2uxx h PHE 533 Ca 0.18 -0.16 -0.11 0.00 2.80 0.00 0.00 57.97 60.68 2uxx h PHE 533 Cb 0.30 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.31 2uxx h PHE 533 CO 0.02 0.82 -0.16 0.00 -0.60 0.00 0.00 178.31 178.39 2uxx h ALA 534 N 1.16 0.87 -0.43 2.45 0.00 -0.50 0.51 119.26 123.32 2uxx h ALA 534 Ca 0.04 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 2uxx h ALA 534 Cb 0.87 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 2uxx h ALA 534 CO 0.07 0.64 0.05 -0.97 0.00 0.00 0.00 179.25 179.04 2uxx h ASN 535 N 0.76 0.63 0.42 0.00 -0.00 -0.75 0.10 115.58 116.74 2uxx h ASN 535 Ca 0.12 -0.12 -0.17 0.00 -0.00 0.00 0.00 56.30 56.12 2uxx h ASN 535 Cb 0.68 -0.16 -0.01 0.00 -0.00 0.00 0.00 38.32 38.83 2uxx h ASN 535 CO 0.05 0.67 -0.74 0.25 -0.00 0.00 0.00 177.43 177.66 2uxx h LEU 536 N 0.64 0.32 -1.10 0.34 5.85 -0.95 -2.04 115.31 118.38 2uxx h LEU 536 Ca 0.14 -0.22 -0.07 0.00 0.84 0.00 0.00 57.88 58.57 2uxx h LEU 536 Cb 0.33 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 2uxx h LEU 536 CO 0.01 0.95 -0.34 -0.33 -0.34 0.00 0.00 178.44 178.38 2uxx h GLU 537 N 0.18 0.00 0.04 1.25 5.08 -0.06 -2.04 114.58 119.03 2uxx h GLU 537 Ca -0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2uxx h GLU 537 Cb 1.31 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2uxx h GLU 537 CO 0.12 0.34 -0.02 0.35 -1.00 0.00 0.00 179.01 178.80 2uxx h PHE 538 N 0.00 -0.05 -0.82 4.33 3.57 -0.54 0.27 116.94 123.69 2uxx h PHE 538 Ca -0.00 -0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.58 2uxx h PHE 538 Cb 0.79 0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.48 2uxx h PHE 538 CO 0.00 0.56 0.48 0.00 -2.23 0.00 0.00 178.31 177.12 2uxx h ALA 539 N 0.11 1.16 -0.01 2.41 0.00 -1.26 -1.36 119.26 120.31 2uxx h ALA 539 Ca -0.01 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2uxx h ALA 539 Cb 0.64 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2uxx h ALA 539 CO 0.01 0.12 -0.12 0.09 0.00 0.00 0.00 179.25 179.35 2uxx n ASN 540 N -4.72 1.30 -3.60 0.00 3.02 -0.78 -4.95 115.26 105.53 2uxx n ASN 540 Ca 0.13 -1.22 -0.27 0.00 -0.03 0.00 0.00 54.58 53.20 2uxx n ASN 540 Cb 0.26 0.07 -0.00 0.00 -0.61 0.00 0.00 39.78 39.49 2uxx n ASN 540 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2uxx n ALA 541 N -0.20 -1.13 -3.54 5.41 0.00 0.00 -4.72 120.51 116.34 2uxx n ALA 541 Ca 0.16 0.09 -0.17 0.00 0.00 0.00 0.00 53.44 53.53 2uxx n ALA 541 Cb 0.36 -3.24 -0.06 0.00 0.00 0.00 0.00 19.45 16.51 2uxx n ALA 541 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2uxx s THR 542 N -3.06 0.00 0.39 0.00 -1.32 -0.73 0.70 115.64 111.62 2uxx s THR 542 Ca 0.50 0.00 -0.26 0.00 -1.21 0.00 0.00 61.69 60.72 2uxx s THR 542 Cb -0.26 -1.00 -0.11 0.00 -1.51 0.00 0.00 72.50 69.62 2uxx s THR 542 CO 0.62 0.00 1.25 -2.65 -2.21 0.00 0.00 174.62 171.63 2uxx n PRO 543 N 0.98 1.96 0.20 7.08 -0.02 -1.26 -4.48 135.00 139.46 2uxx n PRO 543 Ca -0.17 0.69 0.14 0.00 -2.02 0.00 0.00 63.50 62.14 2uxx n PRO 543 Cb 0.57 -2.33 0.73 0.00 -0.02 0.00 0.00 33.50 32.46 2uxx n PRO 543 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 2uxx h LEU 544 N 2.23 0.00 0.00 2.45 3.38 -1.94 -1.91 115.31 119.51 2uxx h LEU 544 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2uxx h LEU 544 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 2uxx h LEU 544 CO 0.61 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.60 2uxx n SER 545 N -2.45 0.00 -0.01 -0.43 3.41 -1.26 -0.70 113.62 112.18 2uxx n SER 545 Ca -0.02 -0.15 0.09 0.00 -0.26 0.00 0.00 58.87 58.54 2uxx n SER 545 Cb 0.05 -0.28 -0.14 0.00 -0.26 0.00 0.00 64.21 63.58 2uxx n SER 545 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2uxx n THR 546 N -1.28 0.00 -2.38 6.66 -2.24 -0.72 -4.78 114.28 109.54 2uxx n THR 546 Ca 0.14 -0.41 -0.41 0.00 -2.27 0.00 0.00 64.05 61.10 2uxx n THR 546 Cb 0.23 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 68.52 2uxx n THR 546 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2uxx s LEU 547 N -4.25 4.50 -0.05 3.22 1.43 -1.20 -1.25 118.68 121.09 2uxx s LEU 547 Ca -0.06 2.33 -0.30 0.00 -1.03 0.00 0.00 54.13 55.07 2uxx s LEU 547 Cb 0.12 -3.63 -0.04 0.00 0.03 0.00 0.00 46.19 42.67 2uxx s LEU 547 CO 0.76 -0.27 1.31 -0.55 0.23 0.00 0.00 176.35 177.82 2uxx s SER 548 N -0.53 6.94 0.08 2.29 0.15 -0.03 -1.44 113.70 121.16 2uxx s SER 548 Ca 0.48 1.94 -0.22 0.00 0.70 0.00 0.00 55.95 58.84 2uxx s SER 548 Cb -0.33 -2.56 -0.14 0.00 -1.71 0.00 0.00 66.02 61.28 2uxx s SER 548 CO 0.42 -0.67 1.66 0.25 1.20 0.00 0.00 173.24 176.09 2uxx h LEU 549 N 8.51 0.08 -1.26 3.45 5.85 -1.71 0.10 115.31 130.32 2uxx h LEU 549 Ca -0.35 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.24 2uxx h LEU 549 Cb 1.16 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 42.15 2uxx h LEU 549 CO 0.90 0.16 0.13 0.50 -0.34 0.00 0.00 178.44 179.79 2uxx h LYS 550 N -0.01 0.64 0.00 1.25 3.64 -1.92 -3.35 116.57 116.82 2uxx h LYS 550 Ca 0.02 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2uxx h LYS 550 Cb 0.10 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2uxx h LYS 550 CO -0.00 0.57 0.00 0.72 -2.27 0.00 0.00 179.45 178.47 2uxx n HIS 551 N -4.33 0.00 -0.09 1.91 8.25 -1.18 -4.80 115.22 114.98 2uxx n HIS 551 Ca 0.03 -0.10 0.25 0.00 -0.26 0.00 0.00 57.72 57.64 2uxx n HIS 551 Cb 0.18 -0.01 0.72 0.00 1.12 0.00 0.00 29.99 32.00 2uxx n HIS 551 CO 0.00 0.00 0.00 0.11 0.64 0.00 0.00 176.34 177.09 2uxx h TRP 552 N 0.00 0.00 -0.71 4.41 5.08 -0.94 -1.83 115.95 121.97 2uxx h TRP 552 Ca 0.00 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.47 2uxx h TRP 552 Cb 0.11 0.00 -0.35 0.00 -3.00 0.00 0.00 29.16 25.92 2uxx h TRP 552 CO 0.00 0.00 -0.44 -0.40 -1.28 0.00 0.00 178.44 176.32 2uxx n ASP 553 N -4.19 4.96 0.25 0.11 5.75 -1.26 -4.77 116.55 117.39 2uxx n ASP 553 Ca 0.15 -3.77 0.13 0.00 -0.01 0.00 0.00 54.79 51.28 2uxx n ASP 553 Cb 0.83 -0.49 0.65 0.00 -1.03 0.00 0.00 41.12 41.08 2uxx n ASP 553 CO 0.00 0.00 0.00 0.06 -0.11 0.00 0.00 177.20 177.15 2uxx h GLN 554 N 1.96 0.00 -0.70 0.11 -0.00 -1.66 -3.02 115.11 111.80 2uxx h GLN 554 Ca 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 59.02 2uxx h GLN 554 Cb 1.39 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.87 2uxx h GLN 554 CO 0.82 0.14 0.00 -0.40 -0.00 0.00 0.00 178.83 179.38 2uxx n ASP 555 N -3.44 4.36 0.14 0.06 5.75 -1.26 -4.56 116.55 117.61 2uxx n ASP 555 Ca -0.01 -2.21 0.03 0.00 -0.01 0.00 0.00 54.79 52.59 2uxx n ASP 555 Cb 0.31 -0.54 0.40 0.00 -1.03 0.00 0.00 41.12 40.26 2uxx n ASP 555 CO 0.00 0.00 0.00 0.44 -0.11 0.00 0.00 177.20 177.53 2uxx h ASP 556 N 4.22 0.16 0.49 -1.12 5.19 -1.88 -2.83 116.42 120.66 2uxx h ASP 556 Ca 0.00 -0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.37 2uxx h ASP 556 Cb 1.21 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.68 2uxx h ASP 556 CO 0.11 0.36 0.00 0.47 -3.12 0.00 0.00 179.24 177.06 2uxx n ASP 557 N -4.25 0.00 -0.95 6.45 8.00 -1.26 -2.95 116.55 121.59 2uxx n ASP 557 Ca -0.01 0.38 0.08 0.00 0.71 0.00 0.00 54.79 55.94 2uxx n ASP 557 Cb 0.29 -0.44 0.23 0.00 -0.02 0.00 0.00 41.12 41.18 2uxx n ASP 557 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 2uxx n PHE 558 N -1.44 0.83 -2.09 1.24 3.72 -1.07 -5.02 117.46 113.63 2uxx n PHE 558 Ca 0.05 -0.61 -0.39 0.00 -0.05 0.00 0.00 57.45 56.45 2uxx n PHE 558 Cb 0.18 -0.14 -0.01 0.00 -0.94 0.00 0.00 39.48 38.57 2uxx n PHE 558 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 176.76 175.50 2uxx s GLU 559 N -1.61 3.94 0.41 -1.08 2.02 -1.15 -5.00 118.70 116.23 2uxx s GLU 559 Ca 0.36 2.09 -0.22 0.00 0.02 0.00 0.00 54.97 57.21 2uxx s GLU 559 Cb 0.23 -2.71 -0.10 0.00 0.10 0.00 0.00 34.13 31.64 2uxx s GLU 559 CO 0.17 -0.49 0.96 -0.06 0.02 0.00 0.00 175.26 175.87 2uxx s PHE 560 N -1.30 3.35 0.28 1.61 0.08 -1.26 -5.05 117.98 115.69 2uxx s PHE 560 Ca 0.58 1.64 -0.15 0.00 0.12 0.00 0.00 56.93 59.12 2uxx s PHE 560 Cb -0.36 -2.90 -0.08 0.00 -0.57 0.00 0.00 43.02 39.10 2uxx s PHE 560 CO 0.46 -0.14 0.70 0.95 -0.10 0.00 0.00 175.22 177.09 2uxx s THR 561 N -2.02 4.70 0.00 0.64 -4.23 -1.10 -4.73 115.64 108.90 2uxx s THR 561 Ca 0.60 0.95 0.00 0.00 -1.18 0.00 0.00 61.69 62.06 2uxx s THR 561 Cb -0.12 -3.67 0.00 0.00 1.34 0.00 0.00 72.50 70.05 2uxx s THR 561 CO 0.17 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 2uxx n GLY 562 N -0.04 2.12 3.85 3.99 0.00 -1.26 -1.50 105.19 112.36 2uxx n GLY 562 Ca 0.01 -2.14 -0.33 0.00 0.00 0.00 0.00 46.02 43.57 2uxx n GLY 562 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2uxx s SER 563 N 0.00 6.77 0.42 1.61 1.04 -1.26 -4.38 113.70 117.90 2uxx s SER 563 Ca 0.00 1.19 -0.24 0.00 0.48 0.00 0.00 55.95 57.38 2uxx s SER 563 Cb 0.00 -2.34 -0.08 0.00 0.10 0.00 0.00 66.02 63.70 2uxx s SER 563 CO 0.00 -0.13 1.17 -1.00 0.98 0.00 0.00 173.24 174.25 2uxx s HIS 564 N -1.87 2.99 0.34 5.02 0.09 -1.26 -3.49 115.29 117.11 2uxx s HIS 564 Ca 0.51 1.55 0.04 0.00 -0.00 0.00 0.00 55.06 57.15 2uxx s HIS 564 Cb -0.11 -3.38 -0.06 0.00 -0.00 0.00 0.00 32.58 29.03 2uxx s HIS 564 CO 0.19 -1.38 0.07 -0.51 -0.00 0.00 0.00 174.74 173.10 2uxx s LEU 565 N -2.71 2.12 0.04 0.89 1.43 -0.31 -2.17 118.68 117.97 2uxx s LEU 565 Ca 0.60 -1.43 0.04 0.00 -1.03 0.00 0.00 54.13 52.31 2uxx s LEU 565 Cb -0.30 -0.32 -0.02 0.00 0.03 0.00 0.00 46.19 45.58 2uxx s LEU 565 CO 0.37 -0.67 -0.13 0.42 0.23 0.00 0.00 176.35 176.57 2uxx s THR 566 N -3.30 0.99 -0.59 5.49 -4.23 -0.64 -1.57 115.64 111.79 2uxx s THR 566 Ca 0.34 -1.04 -0.25 0.00 -1.18 0.00 0.00 61.69 59.57 2uxx s THR 566 Cb 0.08 -0.93 0.04 0.00 1.34 0.00 0.00 72.50 73.03 2uxx s THR 566 CO 0.15 -0.10 1.01 -0.69 -0.54 0.00 0.00 174.62 174.45 2uxx s VAL 567 N -0.98 4.27 0.32 2.29 1.01 -1.23 -1.95 120.40 124.12 2uxx s VAL 567 Ca -0.01 0.25 0.20 0.00 0.00 0.00 0.00 61.98 62.42 2uxx s VAL 567 Cb -0.08 -4.63 0.18 0.00 0.00 0.00 0.00 36.38 31.85 2uxx s VAL 567 CO 0.01 -1.28 1.89 -0.09 0.00 0.00 0.00 175.10 175.63 2uxx h ARG 568 N 9.46 0.00 -0.55 2.72 2.43 -1.32 -2.88 114.38 124.24 2uxx h ARG 568 Ca -0.27 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 58.85 2uxx h ARG 568 Cb 1.07 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.59 2uxx h ARG 568 CO 1.14 0.28 0.06 0.27 -1.51 0.00 0.00 179.97 180.20 2uxx n ASN 569 N -3.76 5.15 -0.18 -3.80 6.94 -1.26 -4.71 115.26 113.64 2uxx n ASN 569 Ca -0.01 -3.04 0.00 0.00 -0.02 0.00 0.00 54.58 51.51 2uxx n ASN 569 Cb 0.37 -0.67 0.00 0.00 -2.36 0.00 0.00 39.78 37.12 2uxx n ASN 569 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2uxx n GLY 570 N 0.20 -3.09 0.34 4.83 0.00 -1.09 -4.72 105.19 101.67 2uxx n GLY 570 Ca 0.30 -0.93 0.16 0.00 0.00 0.00 0.00 46.02 45.55 2uxx n GLY 570 CO 0.00 0.00 0.00 -1.82 0.00 0.00 0.00 173.32 171.50 2uxx h TYR 571 N 0.00 0.00 0.00 1.61 5.03 -1.86 -2.68 116.97 119.08 2uxx h TYR 571 Ca 0.00 0.00 0.00 0.00 2.58 0.00 0.00 58.73 61.31 2uxx h TYR 571 Cb 0.00 0.00 0.00 0.00 1.55 0.00 0.00 36.73 38.28 2uxx h TYR 571 CO 0.00 0.00 0.21 0.66 -1.32 0.00 0.00 178.16 177.71 2uxx h SER 572 N 0.00 0.00 0.14 -2.11 4.64 -1.88 -1.07 113.55 113.27 2uxx h SER 572 Ca 0.14 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.43 2uxx h SER 572 Cb 0.62 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.70 2uxx h SER 572 CO -0.00 0.00 -0.16 0.00 -0.87 0.00 0.00 176.83 175.80 2uxx h VAL 574 N 0.05 0.00 -0.91 0.00 2.07 -1.45 -1.62 116.25 114.38 2uxx h VAL 574 Ca 0.01 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.34 2uxx h VAL 574 Cb 0.31 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 2uxx h VAL 574 CO 0.02 0.00 0.59 1.55 0.02 0.00 0.00 177.57 179.75 2uxx h PRO 575 N -0.96 1.21 -0.81 1.57 0.13 -1.73 0.42 132.00 131.84 2uxx h PRO 575 Ca -0.08 -0.08 0.01 0.00 -0.87 0.00 0.00 66.00 64.98 2uxx h PRO 575 Cb 0.59 -0.27 -0.04 0.00 0.13 0.00 0.00 31.00 31.41 2uxx h PRO 575 CO 0.13 0.82 0.54 0.28 -0.23 0.00 0.00 178.00 179.53 2uxx h VAL 576 N 1.24 1.20 -0.46 1.56 2.07 -1.42 -0.00 116.25 120.45 2uxx h VAL 576 Ca 0.33 -0.38 -0.11 0.00 0.82 0.00 0.00 66.70 67.36 2uxx h VAL 576 Cb -0.12 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 29.65 2uxx h VAL 576 CO -0.07 0.20 -0.15 0.00 0.02 0.00 0.00 177.57 177.57 2uxx h ALA 577 N 1.30 0.64 0.00 1.67 0.00 -0.80 -2.81 119.26 119.26 2uxx h ALA 577 Ca 0.30 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2uxx h ALA 577 Cb -0.12 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.51 2uxx h ALA 577 CO -0.07 0.58 0.00 1.28 0.00 0.00 0.00 179.25 181.04 2uxx n LEU 578 N -4.20 0.35 0.10 0.00 4.77 0.10 -2.75 117.00 115.37 2uxx n LEU 578 Ca -0.00 0.58 0.12 0.00 -0.03 0.00 0.00 56.01 56.68 2uxx n LEU 578 Cb 0.41 -0.52 0.22 0.00 -2.33 0.00 0.00 43.42 41.20 2uxx n LEU 578 CO 0.45 -0.37 0.53 0.00 -1.33 0.00 0.00 177.39 176.68 2uxx h ALA 579 N 2.43 0.75 -2.21 -1.18 0.00 -0.74 -3.47 119.26 114.85 2uxx h ALA 579 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 54.91 54.32 2uxx h ALA 579 Cb 0.35 0.00 0.05 0.00 0.00 0.00 0.00 17.79 18.18 2uxx h ALA 579 CO 0.00 0.00 0.90 -1.91 0.00 0.00 0.00 179.25 178.24 2uxx n GLU 580 N -2.36 2.18 -0.99 0.00 2.13 -1.11 -2.05 120.64 118.45 2uxx n GLU 580 Ca 0.04 0.79 0.00 0.00 0.66 0.00 0.00 57.16 58.65 2uxx n GLU 580 Cb 0.46 -2.59 0.00 0.00 0.27 0.00 0.00 31.44 29.59 2uxx n GLU 580 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2uxx n GLY 581 N 3.73 0.48 3.83 8.31 0.00 -1.26 -5.03 105.19 115.24 2uxx n GLY 581 Ca 0.19 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 2uxx n GLY 581 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2uxx s LEU 582 N 0.00 4.01 -0.79 0.99 1.43 -0.87 -5.06 118.68 118.40 2uxx s LEU 582 Ca 0.00 0.11 -0.22 0.00 -1.03 0.00 0.00 54.13 52.99 2uxx s LEU 582 Cb 0.00 -2.60 0.08 0.00 0.03 0.00 0.00 46.19 43.70 2uxx s LEU 582 CO 0.00 0.19 1.11 -0.62 0.23 0.00 0.00 176.35 177.26 2uxx s ASP 583 N -2.31 6.33 -0.18 2.29 2.15 -1.26 -5.00 116.67 118.69 2uxx s ASP 583 Ca 0.30 -1.25 -0.01 0.00 0.43 0.00 0.00 52.55 52.01 2uxx s ASP 583 Cb -0.12 -2.45 -0.00 0.00 -0.30 0.00 0.00 42.92 40.04 2uxx s ASP 583 CO 0.22 -1.40 -0.12 -0.63 -0.17 0.00 0.00 175.17 173.07 2uxx s ILE 584 N 4.04 2.86 -0.55 4.11 1.01 -1.26 -0.33 121.20 131.08 2uxx s ILE 584 Ca 0.30 -0.68 -0.17 0.00 0.00 0.00 0.00 60.65 60.09 2uxx s ILE 584 Cb -0.10 -2.25 0.12 0.00 0.01 0.00 0.00 42.46 40.24 2uxx s ILE 584 CO 0.03 0.48 0.55 -0.54 0.00 0.00 0.00 174.94 175.46 2uxx s LYS 585 N 1.13 3.00 0.73 2.79 -0.14 0.80 -4.97 119.74 123.09 2uxx s LYS 585 Ca 0.01 -1.58 -0.11 0.00 -1.36 0.00 0.00 55.97 52.93 2uxx s LYS 585 Cb -0.14 -4.28 0.03 0.00 -1.68 0.00 0.00 37.83 31.76 2uxx s LYS 585 CO -0.04 -1.37 1.10 -0.51 -0.76 0.00 0.00 175.35 173.78 2uxx s LEU 586 N 1.89 2.81 -1.40 3.17 1.43 -1.26 -1.13 118.68 124.19 2uxx s LEU 586 Ca 0.05 1.17 -0.06 0.00 -1.03 0.00 0.00 54.13 54.26 2uxx s LEU 586 Cb -0.28 -3.91 0.03 0.00 0.03 0.00 0.00 46.19 42.07 2uxx s LEU 586 CO 0.04 -1.52 0.48 0.59 0.23 0.00 0.00 176.35 176.17 2uxx n ASN 587 N -3.13 -4.85 -3.92 2.29 3.02 -0.40 -4.86 115.26 103.40 2uxx n ASN 587 Ca 0.07 -0.28 -0.31 0.00 -0.03 0.00 0.00 54.58 54.03 2uxx n ASN 587 Cb 0.57 -3.97 -0.15 0.00 -0.61 0.00 0.00 39.78 35.62 2uxx n ASN 587 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2uxx s THR 588 N -3.01 1.79 -0.40 3.41 2.01 0.12 -1.50 115.64 118.05 2uxx s THR 588 Ca 0.31 -1.99 -0.20 0.00 0.31 0.00 0.00 61.69 60.11 2uxx s THR 588 Cb -0.15 -2.32 0.01 0.00 0.01 0.00 0.00 72.50 70.06 2uxx s THR 588 CO 0.38 -0.60 0.63 0.00 -0.69 0.00 0.00 174.62 174.34 2uxx s ALA 589 N 1.16 3.39 0.22 7.40 0.00 -0.25 -2.72 121.76 130.96 2uxx s ALA 589 Ca 0.10 -1.07 -0.31 0.00 0.00 0.00 0.00 51.96 50.68 2uxx s ALA 589 Cb -0.18 -3.24 -0.10 0.00 0.00 0.00 0.00 23.12 19.59 2uxx s ALA 589 CO -0.14 -1.59 1.55 0.08 0.00 0.00 0.00 175.76 175.66 2uxx s VAL 590 N 2.76 2.46 -0.12 0.00 1.01 -1.26 -1.43 120.40 123.82 2uxx s VAL 590 Ca 0.23 0.36 0.02 0.00 0.00 0.00 0.00 61.98 62.58 2uxx s VAL 590 Cb -0.14 -3.23 -0.08 0.00 0.00 0.00 0.00 36.38 32.93 2uxx s VAL 590 CO 0.17 0.04 -0.09 0.54 0.00 0.00 0.00 175.10 175.76 2uxx n ARG 591 N 3.17 0.51 -3.85 2.72 5.12 0.15 -4.71 116.66 119.77 2uxx n ARG 591 Ca 0.11 0.06 -0.12 0.00 -1.93 0.00 0.00 57.85 55.97 2uxx n ARG 591 Cb 0.38 -1.24 -0.12 0.00 -1.16 0.00 0.00 32.46 30.32 2uxx n ARG 591 CO 0.00 0.00 0.00 -1.14 -1.93 0.00 0.00 177.63 174.56 2uxx s GLN 592 N -2.24 0.18 -0.20 5.56 0.74 -0.65 -1.21 119.66 121.85 2uxx s GLN 592 Ca -0.15 0.03 0.01 0.00 0.05 0.00 0.00 55.36 55.31 2uxx s GLN 592 Cb 0.04 0.08 0.03 0.00 1.10 0.00 0.00 33.01 34.26 2uxx s GLN 592 CO 0.28 -0.03 -0.16 0.08 -0.55 0.00 0.00 175.29 174.92 2uxx s VAL 593 N -0.22 1.95 -0.19 1.34 1.01 -0.23 -0.64 120.40 123.43 2uxx s VAL 593 Ca -0.03 -1.06 -0.04 0.00 0.00 0.00 0.00 61.98 60.85 2uxx s VAL 593 Cb -0.02 -1.88 -0.02 0.00 0.00 0.00 0.00 36.38 34.46 2uxx s VAL 593 CO 0.00 0.34 -0.04 -0.13 0.00 0.00 0.00 175.10 175.27 2uxx s ARG 594 N 1.29 3.50 -0.07 2.72 0.52 0.10 -0.32 118.95 126.70 2uxx s ARG 594 Ca 0.01 -0.59 0.01 0.00 -0.52 0.00 0.00 55.73 54.64 2uxx s ARG 594 Cb -0.15 -2.95 0.02 0.00 0.52 0.00 0.00 34.95 32.39 2uxx s ARG 594 CO -0.10 0.01 -0.06 1.52 0.02 0.00 0.00 175.30 176.69 2uxx s TYR 595 N 0.95 1.06 0.41 -0.53 1.13 -0.65 -0.79 117.35 118.93 2uxx s TYR 595 Ca -0.00 -0.39 0.04 0.00 -1.41 0.00 0.00 57.07 55.31 2uxx s TYR 595 Cb -0.15 -0.90 -0.02 0.00 -1.10 0.00 0.00 41.96 39.79 2uxx s TYR 595 CO 0.01 -0.30 0.15 0.95 -2.51 0.00 0.00 175.55 173.85 2uxx s THR 596 N 1.18 0.50 0.42 -3.49 -4.23 0.36 -4.38 115.64 106.01 2uxx s THR 596 Ca -0.06 -2.00 0.31 0.00 -1.18 0.00 0.00 61.69 58.75 2uxx s THR 596 Cb -0.14 -2.34 0.33 0.00 1.34 0.00 0.00 72.50 71.69 2uxx s THR 596 CO -0.02 0.00 2.11 0.00 -0.54 0.00 0.00 174.62 176.18 2uxx h ALA 597 N 1.80 1.23 0.00 3.99 0.00 -1.88 -2.95 119.26 121.45 2uxx h ALA 597 Ca -0.34 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2uxx h ALA 597 Cb 1.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2uxx h ALA 597 CO 0.54 0.10 -1.32 -1.13 0.00 0.00 0.00 179.25 177.44 2uxx n SER 598 N -3.52 0.62 0.00 0.00 3.41 -1.26 -4.76 113.62 108.12 2uxx n SER 598 Ca -0.02 -0.57 0.00 0.00 -0.26 0.00 0.00 58.87 58.02 2uxx n SER 598 Cb 0.21 1.29 0.00 0.00 -0.26 0.00 0.00 64.21 65.45 2uxx n SER 598 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2uxx n GLY 599 N 1.41 -1.01 3.11 5.00 0.00 -1.11 -4.96 105.19 107.62 2uxx n GLY 599 Ca 0.01 -1.17 -0.13 0.00 0.00 0.00 0.00 46.02 44.74 2uxx n GLY 599 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uxx s GLU 601 N -2.32 0.10 -0.17 0.00 -1.05 0.03 -0.26 118.70 115.03 2uxx s GLU 601 Ca -0.02 0.13 -0.02 0.00 -0.15 0.00 0.00 54.97 54.90 2uxx s GLU 601 Cb -0.05 -0.33 -0.01 0.00 -0.44 0.00 0.00 34.13 33.30 2uxx s GLU 601 CO -0.01 -0.14 -0.08 0.08 0.95 0.00 0.00 175.26 176.06 2uxx s VAL 602 N 0.96 3.30 -0.27 1.83 1.01 0.59 -0.72 120.40 127.10 2uxx s VAL 602 Ca -0.09 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.24 2uxx s VAL 602 Cb -0.12 -2.44 -0.05 0.00 0.00 0.00 0.00 36.38 33.76 2uxx s VAL 602 CO -0.02 0.48 0.18 -0.63 0.00 0.00 0.00 175.10 175.11 2uxx s ILE 603 N 0.84 5.32 0.09 2.22 1.09 0.18 -1.35 121.20 129.59 2uxx s ILE 603 Ca -0.03 0.18 0.03 0.00 -1.10 0.00 0.00 60.65 59.73 2uxx s ILE 603 Cb -0.15 -3.52 -0.04 0.00 -1.06 0.00 0.00 42.46 37.69 2uxx s ILE 603 CO 0.01 0.28 -0.09 0.00 -0.10 0.00 0.00 174.94 175.04 2uxx s ALA 604 N 1.56 0.99 0.29 9.38 0.00 -0.45 0.31 121.76 133.83 2uxx s ALA 604 Ca 0.07 -1.17 0.07 0.00 0.00 0.00 0.00 51.96 50.93 2uxx s ALA 604 Cb -0.15 0.07 -0.06 0.00 0.00 0.00 0.00 23.12 22.98 2uxx s ALA 604 CO 0.09 -0.10 -0.07 0.14 0.00 0.00 0.00 175.76 175.82 2uxx s VAL 605 N -2.65 1.81 -0.13 0.00 -7.23 -0.51 0.42 120.40 112.12 2uxx s VAL 605 Ca 0.05 -2.16 -0.28 0.00 -1.81 0.00 0.00 61.98 57.78 2uxx s VAL 605 Cb -0.01 -2.48 -0.01 0.00 0.56 0.00 0.00 36.38 34.43 2uxx s VAL 605 CO -0.01 -0.29 0.95 0.21 -0.31 0.00 0.00 175.10 175.65 2uxx s ASN 606 N -3.48 7.15 0.54 4.85 3.84 -0.96 -1.09 114.94 125.79 2uxx s ASN 606 Ca 0.30 1.42 0.31 0.00 0.21 0.00 0.00 52.86 55.10 2uxx s ASN 606 Cb 0.03 -2.52 1.49 0.00 -0.55 0.00 0.00 41.25 39.69 2uxx s ASN 606 CO 0.13 -0.43 2.06 0.71 -2.79 0.00 0.00 177.10 176.77 2uxx h THR 607 N 5.12 0.36 0.14 -5.21 1.35 -1.59 -2.06 112.91 111.01 2uxx h THR 607 Ca -0.30 -0.55 -0.29 0.00 -0.55 0.00 0.00 66.41 64.72 2uxx h THR 607 Cb 1.14 1.40 0.00 0.00 -1.73 0.00 0.00 68.15 68.97 2uxx h THR 607 CO 0.85 0.09 -1.34 0.03 -0.25 0.00 0.00 175.52 174.91 2uxx h ARG 608 N 0.00 0.29 -2.47 4.72 3.08 -1.92 -3.41 114.38 114.67 2uxx h ARG 608 Ca -0.00 -0.49 -0.55 0.00 0.07 0.00 0.00 59.98 59.01 2uxx h ARG 608 Cb 0.39 0.18 -0.38 0.00 0.08 0.00 0.00 29.97 30.25 2uxx h ARG 608 CO 0.01 1.21 -0.83 -1.54 -1.07 0.00 0.00 179.97 177.75 2uxx s SER 609 N -7.14 2.61 0.59 7.04 1.04 -1.07 -5.03 113.70 111.73 2uxx s SER 609 Ca -0.06 -2.14 0.30 0.00 0.48 0.00 0.00 55.95 54.53 2uxx s SER 609 Cb 0.07 -0.25 1.34 0.00 0.10 0.00 0.00 66.02 67.28 2uxx s SER 609 CO 0.88 -0.29 1.70 0.71 0.98 0.00 0.00 173.24 177.22 2uxx h THR 610 N 5.00 0.25 -0.09 2.02 1.35 -1.62 -2.18 112.91 117.63 2uxx h THR 610 Ca 0.07 0.00 -0.09 0.00 -0.55 0.00 0.00 66.41 65.84 2uxx h THR 610 Cb 0.98 0.39 -0.01 0.00 -1.73 0.00 0.00 68.15 67.78 2uxx h THR 610 CO 0.26 0.00 -0.34 0.77 -0.25 0.00 0.00 175.52 175.96 2uxx h SER 611 N 0.00 0.17 -2.72 5.36 4.64 -1.96 -3.42 113.55 115.63 2uxx h SER 611 Ca 0.36 -0.06 -0.56 0.00 -0.47 0.00 0.00 61.79 61.06 2uxx h SER 611 Cb 1.90 -0.05 -0.02 0.00 -0.31 0.00 0.00 62.40 63.92 2uxx h SER 611 CO -0.00 0.51 1.10 -1.58 -0.87 0.00 0.00 176.83 175.99 2uxx s GLN 612 N -4.28 3.93 -0.03 4.77 0.74 -0.82 -4.99 119.66 118.97 2uxx s GLN 612 Ca -0.04 1.82 0.01 0.00 0.05 0.00 0.00 55.36 57.20 2uxx s GLN 612 Cb 0.14 -4.01 -0.03 0.00 1.10 0.00 0.00 33.01 30.21 2uxx s GLN 612 CO 0.75 -1.13 -0.01 0.99 -0.55 0.00 0.00 175.29 175.34 2uxx s THR 613 N 4.78 4.13 -0.02 -0.34 2.01 -1.26 -2.26 115.64 122.68 2uxx s THR 613 Ca 0.71 -0.50 0.06 0.00 0.31 0.00 0.00 61.69 62.27 2uxx s THR 613 Cb -0.27 -2.80 -0.01 0.00 0.01 0.00 0.00 72.50 69.43 2uxx s THR 613 CO 0.28 0.46 -0.20 -0.36 -0.69 0.00 0.00 174.62 174.12 2uxx s PHE 614 N -1.00 1.83 -0.14 4.92 0.08 0.17 -5.00 117.98 118.84 2uxx s PHE 614 Ca 0.17 -0.40 0.02 0.00 0.12 0.00 0.00 56.93 56.84 2uxx s PHE 614 Cb -0.11 -1.19 0.01 0.00 -0.57 0.00 0.00 43.02 41.15 2uxx s PHE 614 CO 0.07 -0.07 -0.21 0.42 -0.10 0.00 0.00 175.22 175.33 2uxx s ILE 615 N -0.35 2.14 -0.18 0.64 -1.09 -1.26 -1.35 121.20 119.75 2uxx s ILE 615 Ca 0.05 -0.95 0.01 0.00 -2.23 0.00 0.00 60.65 57.53 2uxx s ILE 615 Cb -0.09 -1.86 0.02 0.00 -1.58 0.00 0.00 42.46 38.95 2uxx s ILE 615 CO 0.00 0.54 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.75 2uxx s TYR 616 N 0.85 2.81 -0.04 3.97 1.51 -0.46 -4.96 117.35 121.03 2uxx s TYR 616 Ca -0.06 -1.67 -0.09 0.00 -1.01 0.00 0.00 57.07 54.24 2uxx s TYR 616 Cb -0.15 -1.92 -0.05 0.00 -0.11 0.00 0.00 41.96 39.73 2uxx s TYR 616 CO -0.02 -0.81 0.26 0.15 -1.11 0.00 0.00 175.55 174.02 2uxx s LYS 617 N 1.28 3.62 0.22 -0.62 -0.14 -1.26 -0.30 119.74 122.55 2uxx s LYS 617 Ca 0.04 0.04 -0.22 0.00 -1.36 0.00 0.00 55.97 54.47 2uxx s LYS 617 Cb -0.13 -3.16 0.04 0.00 -1.68 0.00 0.00 37.83 32.90 2uxx s LYS 617 CO -0.12 0.71 0.72 0.00 -0.76 0.00 0.00 175.35 175.90 2uxx h ASP 619 N 2.00 0.00 -5.02 0.00 3.32 -1.38 0.47 116.42 115.81 2uxx h ASP 619 Ca -0.24 0.00 -0.09 0.00 0.02 0.00 0.00 57.03 56.72 2uxx h ASP 619 Cb 1.26 0.00 -0.18 0.00 0.22 0.00 0.00 39.33 40.63 2uxx h ASP 619 CO 0.28 0.94 -0.12 0.00 -1.72 0.00 0.00 179.24 178.61 2uxx s ALA 620 N -2.72 -1.02 -0.09 3.45 0.00 -1.14 -4.57 121.76 115.67 2uxx s ALA 620 Ca 0.00 0.43 0.03 0.00 0.00 0.00 0.00 51.96 52.43 2uxx s ALA 620 Cb 0.09 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.44 2uxx s ALA 620 CO 0.81 -0.38 -0.19 0.08 0.00 0.00 0.00 175.76 176.08 2uxx s VAL 621 N -1.96 1.65 -0.34 0.00 1.01 -0.56 -2.00 120.40 118.21 2uxx s VAL 621 Ca -0.09 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.04 2uxx s VAL 621 Cb -0.02 -1.46 0.03 0.00 0.00 0.00 0.00 36.38 34.94 2uxx s VAL 621 CO 0.01 0.47 0.12 -0.22 0.00 0.00 0.00 175.10 175.48 2uxx s LEU 622 N 0.51 4.34 -0.30 3.92 2.96 -0.20 -0.27 118.68 129.64 2uxx s LEU 622 Ca -0.16 -1.06 -0.18 0.00 -0.22 0.00 0.00 54.13 52.51 2uxx s LEU 622 Cb -0.17 -1.90 -0.02 0.00 0.50 0.00 0.00 46.19 44.60 2uxx s LEU 622 CO 0.06 -0.32 0.50 0.00 -1.32 0.00 0.00 176.35 175.27 2uxx n THR 624 N 5.27 2.11 -1.76 0.00 -2.24 -0.91 -1.88 114.28 114.87 2uxx n THR 624 Ca -0.05 -2.62 -0.41 0.00 -2.27 0.00 0.00 64.05 58.70 2uxx n THR 624 Cb 0.50 -0.25 -0.00 0.00 -2.10 0.00 0.00 70.33 68.47 2uxx n THR 624 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2uxx n LEU 625 N -1.20 4.50 -4.72 3.22 4.77 -1.26 -4.83 117.00 117.48 2uxx n LEU 625 Ca 0.19 1.22 -0.35 0.00 -0.03 0.00 0.00 56.01 57.04 2uxx n LEU 625 Cb 0.73 -1.59 0.09 0.00 -2.33 0.00 0.00 43.42 40.32 2uxx n LEU 625 CO 0.03 0.03 0.82 -2.84 -1.33 0.00 0.00 177.39 174.10 2uxx s PRO 626 N -1.88 2.15 0.32 3.23 0.02 -1.26 -4.81 135.00 132.77 2uxx s PRO 626 Ca 0.55 1.83 0.04 0.00 0.02 0.00 0.00 61.00 63.44 2uxx s PRO 626 Cb -0.50 -1.83 0.66 0.00 0.02 0.00 0.00 34.50 32.86 2uxx s PRO 626 CO 0.62 -1.85 1.87 1.25 -0.33 0.00 0.00 177.00 178.57 2uxx h LEU 627 N -0.20 0.80 -1.36 -5.54 5.85 -1.92 -0.58 115.31 112.37 2uxx h LEU 627 Ca -0.48 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.32 2uxx h LEU 627 Cb 1.31 -0.13 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 2uxx h LEU 627 CO 0.50 0.45 0.47 1.23 -0.34 0.00 0.00 178.44 180.74 2uxx h GLY 628 N 0.87 0.96 0.79 3.75 0.00 -1.83 0.61 103.07 108.22 2uxx h GLY 628 Ca 0.44 -0.32 -0.09 0.00 0.00 0.00 0.00 47.33 47.36 2uxx h GLY 628 CO -0.20 0.27 -0.26 -2.08 0.00 0.00 0.00 176.54 174.26 2uxx h VAL 629 N 0.81 1.36 0.00 4.60 2.07 -1.20 -2.85 116.25 121.04 2uxx h VAL 629 Ca 0.29 -1.51 -0.01 0.00 0.82 0.00 0.00 66.70 66.29 2uxx h VAL 629 Cb 0.13 1.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.88 2uxx h VAL 629 CO -0.09 0.45 -0.04 -0.07 0.02 0.00 0.00 177.57 177.84 2uxx h LEU 630 N 0.06 0.00 0.00 2.57 3.38 -0.64 -1.62 115.31 119.05 2uxx h LEU 630 Ca 0.01 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2uxx h LEU 630 Cb 0.85 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.59 2uxx h LEU 630 CO 0.06 0.04 -0.30 0.11 0.09 0.00 0.00 178.44 178.44 2uxx h LYS 631 N 0.00 0.00 -6.12 1.13 1.57 -0.76 -3.48 116.57 108.92 2uxx h LYS 631 Ca -0.00 0.00 -0.72 0.00 -1.87 0.00 0.00 60.65 58.06 2uxx h LYS 631 Cb 0.12 0.00 0.07 0.00 0.08 0.00 0.00 32.23 32.50 2uxx h LYS 631 CO 0.01 0.08 0.08 1.04 -0.57 0.00 0.00 179.45 180.09 2uxx n GLN 632 N -3.03 0.44 -3.58 3.15 6.02 -0.61 -4.98 117.38 114.79 2uxx n GLN 632 Ca 0.03 0.16 -0.21 0.00 -0.01 0.00 0.00 57.00 56.96 2uxx n GLN 632 Cb 0.57 -1.61 -0.15 0.00 1.02 0.00 0.00 30.24 30.07 2uxx n GLN 632 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2uxx s GLN 633 N -0.14 0.09 0.66 -1.09 2.00 -1.26 -3.03 119.66 116.90 2uxx s GLN 633 Ca 0.82 0.18 -0.16 0.00 -2.00 0.00 0.00 55.36 54.20 2uxx s GLN 633 Cb -1.08 -1.22 0.00 0.00 0.80 0.00 0.00 33.01 31.52 2uxx s GLN 633 CO 0.54 -0.57 1.15 -2.14 -0.50 0.00 0.00 175.29 173.76 2uxx s PRO 634 N 2.24 2.68 0.43 1.67 0.02 -1.26 -5.10 135.00 135.68 2uxx s PRO 634 Ca 0.04 1.55 -0.25 0.00 0.02 0.00 0.00 61.00 62.36 2uxx s PRO 634 Cb -0.15 -1.92 -0.08 0.00 0.02 0.00 0.00 34.50 32.37 2uxx s PRO 634 CO -0.09 -1.37 1.29 -2.14 -0.33 0.00 0.00 177.00 174.36 2uxx s PRO 635 N -3.90 3.82 0.01 5.54 0.02 -1.17 -4.93 135.00 134.39 2uxx s PRO 635 Ca 0.70 2.12 0.04 0.00 0.02 0.00 0.00 61.00 63.88 2uxx s PRO 635 Cb -0.24 -2.64 -0.25 0.00 0.02 0.00 0.00 34.50 31.40 2uxx s PRO 635 CO 0.40 -0.60 0.87 0.00 -0.33 0.00 0.00 177.00 177.34 2uxx h ALA 636 N 2.42 0.46 -3.17 -1.55 0.00 -1.82 -3.44 119.26 112.16 2uxx h ALA 636 Ca -0.50 -1.19 -0.62 0.00 0.00 0.00 0.00 54.91 52.61 2uxx h ALA 636 Cb 1.25 0.26 -0.36 0.00 0.00 0.00 0.00 17.79 18.95 2uxx h ALA 636 CO 0.61 1.31 -0.83 0.08 0.00 0.00 0.00 179.25 180.43 2uxx s VAL 637 N -2.63 1.66 -0.10 0.00 1.01 -1.26 -4.71 120.40 114.37 2uxx s VAL 637 Ca -0.06 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.03 2uxx s VAL 637 Cb 0.08 -1.58 -0.05 0.00 0.00 0.00 0.00 36.38 34.83 2uxx s VAL 637 CO 0.83 0.42 0.35 -1.58 0.00 0.00 0.00 175.10 175.12 2uxx s GLN 638 N 1.44 4.11 -0.15 2.72 0.74 -0.35 -4.98 119.66 123.20 2uxx s GLN 638 Ca 0.04 0.24 -0.06 0.00 0.05 0.00 0.00 55.36 55.63 2uxx s GLN 638 Cb -0.13 -3.35 -0.04 0.00 1.10 0.00 0.00 33.01 30.59 2uxx s GLN 638 CO -0.11 0.39 0.04 -0.06 -0.55 0.00 0.00 175.29 175.01 2uxx s PHE 639 N -0.05 3.24 -0.16 1.67 0.08 -1.26 -1.06 117.98 120.43 2uxx s PHE 639 Ca 0.20 0.10 -0.00 0.00 0.12 0.00 0.00 56.93 57.35 2uxx s PHE 639 Cb -0.14 -1.98 0.04 0.00 -0.57 0.00 0.00 43.02 40.37 2uxx s PHE 639 CO 0.08 0.27 -0.05 0.08 -0.10 0.00 0.00 175.22 175.49 2uxx s VAL 640 N -0.09 1.10 0.93 -0.44 1.01 0.57 -2.49 120.40 120.99 2uxx s VAL 640 Ca 0.06 -0.61 -0.11 0.00 0.00 0.00 0.00 61.98 61.32 2uxx s VAL 640 Cb -0.12 -1.27 0.15 0.00 0.00 0.00 0.00 36.38 35.13 2uxx s VAL 640 CO 0.01 0.14 1.09 -2.16 0.00 0.00 0.00 175.10 174.19 2uxx s PRO 641 N 1.64 1.00 0.67 2.72 0.04 -1.26 -1.64 135.00 138.17 2uxx s PRO 641 Ca 0.01 0.90 -0.17 0.00 0.04 0.00 0.00 61.00 61.78 2uxx s PRO 641 Cb -0.15 -1.77 0.00 0.00 0.04 0.00 0.00 34.50 32.62 2uxx s PRO 641 CO -0.08 -2.44 1.25 -2.30 0.04 0.00 0.00 177.00 173.47 2uxx n PRO 642 N -4.03 0.93 -1.91 0.56 -0.02 -1.04 -4.93 135.00 124.56 2uxx n PRO 642 Ca 0.07 0.38 -0.39 0.00 -2.02 0.00 0.00 63.50 61.54 2uxx n PRO 642 Cb 0.55 -2.48 0.02 0.00 -0.02 0.00 0.00 33.50 31.56 2uxx n PRO 642 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2uxx s LEU 643 N -4.35 3.99 0.75 2.45 1.43 -1.26 -4.96 118.68 116.74 2uxx s LEU 643 Ca 0.81 2.70 -0.14 0.00 -1.03 0.00 0.00 54.13 56.47 2uxx s LEU 643 Cb -0.37 -4.13 0.05 0.00 0.03 0.00 0.00 46.19 41.77 2uxx s LEU 643 CO 0.43 -1.26 1.17 -2.16 0.23 0.00 0.00 176.35 174.76 2uxx s PRO 644 N -2.66 2.06 0.36 1.29 0.04 -1.26 -4.74 135.00 130.09 2uxx s PRO 644 Ca 0.65 1.61 0.10 0.00 0.04 0.00 0.00 61.00 63.41 2uxx s PRO 644 Cb -0.39 -1.84 0.86 0.00 0.04 0.00 0.00 34.50 33.18 2uxx s PRO 644 CO 0.48 -1.87 1.85 0.93 0.04 0.00 0.00 177.00 178.42 2uxx h GLU 645 N -0.59 0.63 -0.07 4.56 5.08 -1.99 -0.22 114.58 121.98 2uxx h GLU 645 Ca -0.46 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 57.82 2uxx h GLU 645 Cb 1.28 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.38 2uxx h GLU 645 CO 0.49 0.41 -0.14 0.11 -1.00 0.00 0.00 179.01 178.88 2uxx h TRP 646 N 0.64 0.11 0.05 4.33 5.08 -1.99 -0.14 115.95 124.03 2uxx h TRP 646 Ca 0.48 -0.01 -0.06 0.00 1.08 0.00 0.00 58.89 60.38 2uxx h TRP 646 Cb 0.87 -0.03 0.01 0.00 -3.00 0.00 0.00 29.16 27.00 2uxx h TRP 646 CO -0.00 0.25 -0.28 -0.22 -1.28 0.00 0.00 178.44 176.91 2uxx h LYS 647 N 0.11 0.11 -0.36 0.12 1.63 -1.42 -3.24 116.57 113.52 2uxx h LYS 647 Ca 0.02 -0.18 -0.07 0.00 -0.85 0.00 0.00 60.65 59.57 2uxx h LYS 647 Cb 0.32 0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 32.00 2uxx h LYS 647 CO 0.02 1.07 -0.07 1.79 -3.45 0.00 0.00 179.45 178.81 2uxx h THR 648 N -0.76 1.23 -0.23 1.00 1.35 -1.22 -2.52 112.91 111.76 2uxx h THR 648 Ca -0.05 -0.98 -0.08 0.00 -0.55 0.00 0.00 66.41 64.75 2uxx h THR 648 Cb 1.21 1.04 -0.01 0.00 -1.73 0.00 0.00 68.15 68.65 2uxx h THR 648 CO 0.05 0.33 -0.19 0.28 -0.25 0.00 0.00 175.52 175.75 2uxx h SER 649 N 0.55 0.40 -0.01 5.36 0.02 -1.16 -1.06 113.55 117.65 2uxx h SER 649 Ca 0.11 -0.11 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2uxx h SER 649 Cb 0.46 -0.11 -0.00 0.00 0.14 0.00 0.00 62.40 62.89 2uxx h SER 649 CO 0.02 0.60 -0.00 0.00 -1.14 0.00 0.00 176.83 176.31 2uxx h ALA 650 N 1.44 0.01 -0.90 3.77 0.00 -1.53 -1.48 119.26 120.57 2uxx h ALA 650 Ca 0.06 -0.20 0.17 0.00 0.00 0.00 0.00 54.91 54.95 2uxx h ALA 650 Cb 0.54 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.23 2uxx h ALA 650 CO 0.04 -0.29 0.48 0.28 0.00 0.00 0.00 179.25 179.75 2uxx h VAL 651 N -0.38 0.69 -0.06 0.00 2.07 -1.09 0.12 116.25 117.60 2uxx h VAL 651 Ca 0.00 -0.22 -0.20 0.00 0.82 0.00 0.00 66.70 67.11 2uxx h VAL 651 Cb 0.39 -0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.16 2uxx h VAL 651 CO 0.00 0.12 -0.79 1.56 0.02 0.00 0.00 177.57 178.48 2uxx h GLN 652 N 0.63 0.43 -0.06 1.57 4.20 -1.09 -3.32 115.11 117.47 2uxx h GLN 652 Ca 0.51 -0.38 -0.05 0.00 0.06 0.00 0.00 58.65 58.79 2uxx h GLN 652 Cb 0.78 0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.65 2uxx h GLN 652 CO -0.39 1.02 -0.16 0.00 -0.67 0.00 0.00 178.83 178.63 2uxx h ARG 653 N 0.28 0.21 -6.75 1.46 3.08 -0.15 -3.45 114.38 109.06 2uxx h ARG 653 Ca -0.04 -0.15 -0.57 0.00 0.07 0.00 0.00 59.98 59.28 2uxx h ARG 653 Cb 1.38 0.02 0.15 0.00 0.08 0.00 0.00 29.97 31.60 2uxx h ARG 653 CO 0.14 0.77 0.17 -1.33 -1.07 0.00 0.00 179.97 178.65 2uxx n MET 654 N -4.59 1.20 -3.80 0.04 2.81 0.31 -4.67 117.12 108.42 2uxx n MET 654 Ca -0.08 0.44 -0.34 0.00 -1.81 0.00 0.00 57.70 55.91 2uxx n MET 654 Cb 0.40 -2.14 -0.05 0.00 -0.71 0.00 0.00 33.22 30.73 2uxx n MET 654 CO 0.00 0.00 0.00 0.20 1.51 0.00 0.00 175.97 177.68 2uxx s GLY 655 N -0.95 2.23 -0.32 3.03 0.00 -1.04 -4.92 107.32 105.35 2uxx s GLY 655 Ca 0.69 -0.63 -0.00 0.00 0.00 0.00 0.00 44.72 44.77 2uxx s GLY 655 CO 0.53 -0.48 0.10 -0.12 0.00 0.00 0.00 173.10 173.13 2uxx s PHE 656 N -1.33 1.87 0.12 1.90 5.36 -1.26 -1.08 117.98 123.56 2uxx s PHE 656 Ca 0.28 -1.86 -0.02 0.00 -0.96 0.00 0.00 56.93 54.37 2uxx s PHE 656 Cb -0.13 -1.81 0.03 0.00 -0.34 0.00 0.00 43.02 40.77 2uxx s PHE 656 CO 0.18 -0.88 0.14 0.41 -1.46 0.00 0.00 175.22 173.61 2uxx n GLY 657 N 4.75 -1.62 3.33 13.12 0.00 0.76 -4.85 105.19 120.68 2uxx n GLY 657 Ca -0.01 -1.60 -0.15 0.00 0.00 0.00 0.00 46.02 44.26 2uxx n GLY 657 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2uxx s ASN 658 N -1.65 -0.34 -0.22 1.61 2.47 0.22 -0.66 114.94 116.37 2uxx s ASN 658 Ca 0.08 0.27 -0.27 0.00 0.42 0.00 0.00 52.86 53.36 2uxx s ASN 658 Cb -0.00 0.39 0.10 0.00 -1.45 0.00 0.00 41.25 40.28 2uxx s ASN 658 CO 0.06 -0.51 0.87 -1.48 -3.72 0.00 0.00 177.10 172.32 2uxx s LEU 659 N -1.33 -0.57 0.25 3.21 0.05 -1.26 -4.22 118.68 114.80 2uxx s LEU 659 Ca -0.12 0.95 0.05 0.00 0.05 0.00 0.00 54.13 55.07 2uxx s LEU 659 Cb -0.03 2.17 -0.05 0.00 -2.05 0.00 0.00 46.19 46.23 2uxx s LEU 659 CO 0.06 -0.29 -0.05 0.20 -0.55 0.00 0.00 176.35 175.72 2uxx s ASN 660 N -0.17 2.35 0.01 1.48 0.01 -0.58 -4.70 114.94 113.34 2uxx s ASN 660 Ca -0.01 -1.17 0.03 0.00 -0.71 0.00 0.00 52.86 51.00 2uxx s ASN 660 Cb -0.03 -0.09 -0.01 0.00 0.41 0.00 0.00 41.25 41.52 2uxx s ASN 660 CO 0.00 -0.38 -0.11 -0.54 -1.51 0.00 0.00 177.10 174.56 2uxx s LYS 661 N -3.77 0.79 -0.26 -0.60 1.02 -1.26 -1.11 119.74 114.55 2uxx s LYS 661 Ca 0.27 -0.50 0.00 0.00 0.02 0.00 0.00 55.97 55.77 2uxx s LYS 661 Cb 0.04 -0.75 0.05 0.00 -0.52 0.00 0.00 37.83 36.64 2uxx s LYS 661 CO 0.09 0.20 -0.07 0.08 -0.92 0.00 0.00 175.35 174.73 2uxx s VAL 662 N -0.52 2.59 -0.30 3.17 1.01 0.45 -2.01 120.40 124.79 2uxx s VAL 662 Ca 0.02 -1.35 -0.22 0.00 0.00 0.00 0.00 61.98 60.43 2uxx s VAL 662 Cb -0.05 -2.43 -0.01 0.00 0.00 0.00 0.00 36.38 33.89 2uxx s VAL 662 CO 0.00 0.05 0.70 -0.69 0.00 0.00 0.00 175.10 175.16 2uxx s VAL 663 N 1.22 4.88 -0.37 2.92 1.01 0.46 -0.62 120.40 129.89 2uxx s VAL 663 Ca -0.05 1.03 -0.04 0.00 0.00 0.00 0.00 61.98 62.92 2uxx s VAL 663 Cb -0.19 -4.06 0.07 0.00 0.00 0.00 0.00 36.38 32.21 2uxx s VAL 663 CO -0.04 -0.17 0.14 -0.76 0.00 0.00 0.00 175.10 174.26 2uxx s LEU 664 N 2.75 4.66 -0.23 3.92 1.43 0.73 -2.13 118.68 129.82 2uxx s LEU 664 Ca 0.28 -1.54 -0.15 0.00 -1.03 0.00 0.00 54.13 51.70 2uxx s LEU 664 Cb -0.15 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 2uxx s LEU 664 CO 0.12 -0.42 0.37 0.00 0.23 0.00 0.00 176.35 176.64 2uxx n PHE 666 N 4.70 0.55 0.41 0.00 3.72 -0.64 -0.48 117.46 125.72 2uxx n PHE 666 Ca -0.09 -2.11 0.07 0.00 -0.05 0.00 0.00 57.45 55.27 2uxx n PHE 666 Cb 0.51 -0.31 -0.10 0.00 -0.94 0.00 0.00 39.48 38.63 2uxx n PHE 666 CO 0.00 0.00 0.00 -0.40 -0.05 0.00 0.00 176.76 176.31 2uxx n ASP 667 N -1.42 1.02 -3.93 4.37 5.68 -1.26 -4.65 116.55 116.35 2uxx n ASP 667 Ca -0.14 -0.49 -0.09 0.00 -0.50 0.00 0.00 54.79 53.57 2uxx n ASP 667 Cb 0.55 1.30 -0.08 0.00 -1.14 0.00 0.00 41.12 41.75 2uxx n ASP 667 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2uxx s ARG 668 N -2.71 0.91 -0.39 0.11 1.70 -1.26 -4.97 118.95 112.35 2uxx s ARG 668 Ca 0.01 -1.09 -0.15 0.00 -0.47 0.00 0.00 55.73 54.03 2uxx s ARG 668 Cb 0.11 0.33 0.01 0.00 -0.57 0.00 0.00 34.95 34.83 2uxx s ARG 668 CO 0.63 -0.29 0.33 0.08 -1.08 0.00 0.00 175.30 174.97 2uxx s VAL 669 N -3.91 5.21 -1.63 4.99 1.01 -1.26 -4.91 120.40 119.91 2uxx s VAL 669 Ca 0.10 -0.38 0.15 0.00 0.00 0.00 0.00 61.98 61.85 2uxx s VAL 669 Cb 0.05 -3.89 0.06 0.00 0.00 0.00 0.00 36.38 32.59 2uxx s VAL 669 CO -0.07 -0.24 0.89 2.22 0.00 0.00 0.00 175.10 177.90 2uxx n PHE 670 N 5.29 0.00 -3.02 5.22 1.16 -1.26 -5.01 117.46 119.84 2uxx n PHE 670 Ca -0.10 0.00 -0.19 0.00 -1.87 0.00 0.00 57.45 55.29 2uxx n PHE 670 Cb 0.48 0.00 0.04 0.00 -1.61 0.00 0.00 39.48 38.39 2uxx n PHE 670 CO 0.00 0.00 0.00 1.67 -1.87 0.00 0.00 176.76 176.56 2uxx s TRP 671 N -1.55 1.97 -0.31 2.97 -2.14 -1.26 -4.98 118.94 113.64 2uxx s TRP 671 Ca 0.15 -0.59 -0.29 0.00 2.66 0.00 0.00 56.10 58.03 2uxx s TRP 671 Cb 0.12 -2.29 -0.00 0.00 -3.10 0.00 0.00 33.47 28.20 2uxx s TRP 671 CO 0.29 -0.87 1.36 0.34 -2.66 0.00 0.00 176.95 175.41 2uxx s ASP 672 N -4.54 6.58 0.29 -2.66 -1.08 -1.26 -4.92 116.67 109.08 2uxx s ASP 672 Ca 0.59 1.20 0.06 0.00 -0.52 0.00 0.00 52.55 53.89 2uxx s ASP 672 Cb -0.07 -2.54 0.43 0.00 -1.46 0.00 0.00 42.92 39.28 2uxx s ASP 672 CO 0.37 -1.16 1.68 -0.65 0.52 0.00 0.00 175.17 175.94 2uxx h PRO 673 N 9.69 0.24 0.00 4.34 0.11 -1.97 -2.76 132.00 141.65 2uxx h PRO 673 Ca -0.27 -0.12 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2uxx h PRO 673 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 2uxx h PRO 673 CO 1.04 0.63 0.00 0.66 -0.21 0.00 0.00 178.00 180.12 2uxx h SER 674 N 0.20 0.00 -3.63 -2.05 4.64 -2.00 -3.42 113.55 107.29 2uxx h SER 674 Ca 0.02 0.00 -0.62 0.00 -0.47 0.00 0.00 61.79 60.72 2uxx h SER 674 Cb 0.85 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 62.80 2uxx h SER 674 CO 0.07 0.00 -0.24 -0.69 -0.87 0.00 0.00 176.83 175.10 2uxx s VAL 675 N -3.39 5.19 0.11 0.95 1.01 -1.04 -4.97 120.40 118.26 2uxx s VAL 675 Ca 0.04 0.59 0.11 0.00 0.00 0.00 0.00 61.98 62.73 2uxx s VAL 675 Cb 0.09 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.73 2uxx s VAL 675 CO 0.47 0.20 1.47 0.78 0.00 0.00 0.00 175.10 178.02 2uxx h ASN 676 N 7.87 0.00 -4.29 3.32 -0.26 -1.80 -3.44 115.58 116.99 2uxx h ASN 676 Ca -0.33 0.00 -0.03 0.00 -0.56 0.00 0.00 56.30 55.37 2uxx h ASN 676 Cb 1.16 0.00 -0.21 0.00 -1.06 0.00 0.00 38.32 38.21 2uxx h ASN 676 CO 0.67 0.70 0.20 -1.48 -1.06 0.00 0.00 177.43 176.46 2uxx s LEU 677 N -6.94 -0.67 0.07 1.61 -0.00 -1.26 0.50 118.68 111.98 2uxx s LEU 677 Ca 0.01 1.10 0.02 0.00 -0.00 0.00 0.00 54.13 55.26 2uxx s LEU 677 Cb 0.10 2.41 -0.03 0.00 -0.00 0.00 0.00 46.19 48.68 2uxx s LEU 677 CO 0.77 -0.37 -0.08 0.72 -0.00 0.00 0.00 176.35 177.39 2uxx s PHE 678 N -0.25 0.79 0.28 3.48 -0.71 -0.88 -4.04 117.98 116.65 2uxx s PHE 678 Ca -0.04 -0.67 0.09 0.00 -1.04 0.00 0.00 56.93 55.27 2uxx s PHE 678 Cb -0.03 -0.46 -0.04 0.00 -1.21 0.00 0.00 43.02 41.28 2uxx s PHE 678 CO 0.04 -0.10 0.05 0.20 -1.34 0.00 0.00 175.22 174.06 2uxx s GLY 679 N -2.21 1.68 -0.16 1.99 0.00 -0.26 -1.08 107.32 107.29 2uxx s GLY 679 Ca -0.00 -1.66 0.01 0.00 0.00 0.00 0.00 44.72 43.06 2uxx s GLY 679 CO -0.02 -1.69 -0.16 -1.58 0.00 0.00 0.00 173.10 169.65 2uxx s HIS 680 N -2.32 2.36 -0.28 1.90 5.04 0.64 -1.53 115.29 121.09 2uxx s HIS 680 Ca 0.33 -1.37 -0.23 0.00 -1.54 0.00 0.00 55.06 52.25 2uxx s HIS 680 Cb -0.06 -1.69 -0.00 0.00 0.04 0.00 0.00 32.58 30.87 2uxx s HIS 680 CO 0.21 -0.71 0.77 0.08 -2.34 0.00 0.00 174.74 172.74 2uxx s VAL 681 N 1.43 4.84 0.72 0.89 1.01 0.49 -4.46 120.40 125.31 2uxx s VAL 681 Ca 0.05 1.26 -0.11 0.00 0.00 0.00 0.00 61.98 63.17 2uxx s VAL 681 Cb -0.13 -4.10 0.02 0.00 0.00 0.00 0.00 36.38 32.18 2uxx s VAL 681 CO -0.11 -0.15 1.07 -0.83 0.00 0.00 0.00 175.10 175.08 2uxx s GLY 682 N 1.52 1.72 0.04 4.51 0.00 -1.26 -2.53 107.32 111.33 2uxx s GLY 682 Ca 0.32 0.20 -0.18 0.00 0.00 0.00 0.00 44.72 45.06 2uxx s GLY 682 CO 0.10 0.53 1.25 1.76 0.00 0.00 0.00 173.10 176.75 2uxx h SER 683 N -0.77 0.58 -1.99 1.64 0.02 -1.95 -3.46 113.55 107.62 2uxx h SER 683 Ca -0.44 -0.61 -0.58 0.00 -0.84 0.00 0.00 61.79 59.32 2uxx h SER 683 Cb 1.22 -0.17 -0.10 0.00 0.14 0.00 0.00 62.40 63.49 2uxx h SER 683 CO 0.54 1.09 -0.62 0.42 -1.14 0.00 0.00 176.83 177.12 2uxx s THR 684 N -3.80 2.80 0.25 -2.27 -4.23 -1.26 -4.94 115.64 102.19 2uxx s THR 684 Ca -0.13 -1.97 0.00 0.00 -1.18 0.00 0.00 61.69 58.42 2uxx s THR 684 Cb 0.06 -2.79 0.05 0.00 1.34 0.00 0.00 72.50 71.15 2uxx s THR 684 CO 0.81 -0.24 1.67 0.74 -0.54 0.00 0.00 174.62 177.06 2uxx h THR 685 N 1.83 1.27 -0.48 3.99 2.02 -1.96 -2.90 112.91 116.68 2uxx h THR 685 Ca -0.43 -1.35 0.03 0.00 0.77 0.00 0.00 66.41 65.43 2uxx h THR 685 Cb 1.25 1.36 -0.04 0.00 -1.74 0.00 0.00 68.15 68.99 2uxx h THR 685 CO 0.65 0.43 0.27 0.00 0.37 0.00 0.00 175.52 177.24 2uxx h ALA 686 N 1.21 0.61 -0.76 6.16 0.00 -2.00 -2.85 119.26 121.63 2uxx h ALA 686 Ca 0.07 0.00 -0.22 0.00 0.00 0.00 0.00 54.91 54.75 2uxx h ALA 686 Cb 0.73 -0.11 -0.13 0.00 0.00 0.00 0.00 17.79 18.27 2uxx h ALA 686 CO 0.06 -0.05 0.28 -1.13 0.00 0.00 0.00 179.25 178.41 2uxx n SER 687 N -4.84 4.90 -0.07 0.00 3.41 -1.19 -4.57 113.62 111.26 2uxx n SER 687 Ca 0.03 -3.23 0.09 0.00 -0.26 0.00 0.00 58.87 55.50 2uxx n SER 687 Cb 0.09 -0.75 0.47 0.00 -0.26 0.00 0.00 64.21 63.75 2uxx n SER 687 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 175.04 174.96 2uxx h ARG 688 N 2.71 0.47 -0.21 4.33 0.11 -1.29 -2.38 114.38 118.12 2uxx h ARG 688 Ca 0.28 -0.03 0.00 0.00 0.10 0.00 0.00 59.98 60.33 2uxx h ARG 688 Cb 2.38 -0.10 0.00 0.00 1.11 0.00 0.00 29.97 33.35 2uxx h ARG 688 CO 0.76 0.31 0.00 0.41 0.10 0.00 0.00 179.97 181.55 2uxx n GLY 689 N -1.50 0.60 3.57 0.08 0.00 -1.26 -4.60 105.19 102.08 2uxx n GLY 689 Ca 0.08 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 2uxx n GLY 689 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2uxx s GLU 690 N -1.73 3.35 -1.43 1.61 2.12 -0.90 -0.59 118.70 121.13 2uxx s GLU 690 Ca 0.33 0.19 -0.01 0.00 0.36 0.00 0.00 54.97 55.84 2uxx s GLU 690 Cb 0.18 -4.10 0.01 0.00 0.26 0.00 0.00 34.13 30.49 2uxx s GLU 690 CO 0.27 -1.90 0.40 1.28 -0.54 0.00 0.00 175.26 174.77 2uxx n LEU 691 N 9.10 -2.09 0.14 2.70 4.77 -0.94 -4.88 117.00 125.80 2uxx n LEU 691 Ca 0.08 -1.03 0.12 0.00 -0.03 0.00 0.00 56.01 55.16 2uxx n LEU 691 Cb 0.49 -2.16 0.23 0.00 -2.33 0.00 0.00 43.42 39.65 2uxx n LEU 691 CO 0.71 0.43 0.65 2.19 -1.33 0.00 0.00 177.39 180.04 2uxx h PHE 692 N -1.82 0.00 -3.68 -1.77 -0.00 -1.67 -3.42 116.94 104.59 2uxx h PHE 692 Ca -0.63 0.00 -0.30 0.00 -0.00 0.00 0.00 57.97 57.04 2uxx h PHE 692 Cb 1.38 0.00 -0.31 0.00 -0.00 0.00 0.00 35.95 37.02 2uxx h PHE 692 CO 0.50 0.00 -0.74 -1.17 -0.00 0.00 0.00 178.31 176.90 2uxx s LEU 693 N -5.18 1.65 -0.13 2.10 2.96 -1.26 -0.26 118.68 118.55 2uxx s LEU 693 Ca 0.07 -0.03 0.03 0.00 -0.22 0.00 0.00 54.13 53.97 2uxx s LEU 693 Cb 0.10 -0.16 0.01 0.00 0.50 0.00 0.00 46.19 46.63 2uxx s LEU 693 CO 0.67 -0.03 -0.22 -0.36 -1.32 0.00 0.00 176.35 175.10 2uxx s PHE 694 N 0.40 2.66 -0.09 5.38 0.40 -0.24 -1.19 117.98 125.31 2uxx s PHE 694 Ca -0.04 -1.27 -0.06 0.00 -0.60 0.00 0.00 56.93 54.97 2uxx s PHE 694 Cb -0.06 -1.80 -0.04 0.00 0.51 0.00 0.00 43.02 41.62 2uxx s PHE 694 CO -0.01 -0.57 0.15 -1.58 0.70 0.00 0.00 175.22 173.92 2uxx s TRP 695 N 0.73 3.58 -0.46 0.36 0.52 0.76 -2.06 118.94 122.38 2uxx s TRP 695 Ca -0.09 0.47 0.03 0.00 0.02 0.00 0.00 56.10 56.53 2uxx s TRP 695 Cb -0.16 -1.90 0.15 0.00 -1.15 0.00 0.00 33.47 30.41 2uxx s TRP 695 CO 0.00 0.71 0.30 1.21 0.02 0.00 0.00 176.95 179.19 2uxx s ASN 696 N -1.31 3.13 0.00 2.95 2.47 0.18 -1.85 114.94 120.51 2uxx s ASN 696 Ca 0.19 -2.86 0.00 0.00 0.42 0.00 0.00 52.86 50.61 2uxx s ASN 696 Cb -0.12 -0.86 0.00 0.00 -1.45 0.00 0.00 41.25 38.82 2uxx s ASN 696 CO 0.09 -0.22 0.01 0.18 -3.72 0.00 0.00 177.10 173.44 2uxx n LEU 697 N 3.20 0.02 -4.98 3.21 4.77 -1.26 -4.45 117.00 117.52 2uxx n LEU 697 Ca 0.16 -0.28 -0.20 0.00 -0.03 0.00 0.00 56.01 55.67 2uxx n LEU 697 Cb 0.39 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.47 2uxx n LEU 697 CO 0.19 0.01 0.11 -0.31 -1.33 0.00 0.00 177.39 176.05 2uxx s TYR 698 N -0.51 3.14 0.05 -1.77 1.51 -1.26 -4.86 117.35 113.66 2uxx s TYR 698 Ca 0.00 -0.12 -0.35 0.00 -1.01 0.00 0.00 57.07 55.59 2uxx s TYR 698 Cb 0.00 -2.06 -0.19 0.00 -0.11 0.00 0.00 41.96 39.60 2uxx s TYR 698 CO 0.00 -0.08 1.49 0.87 -1.11 0.00 0.00 175.55 176.72 2uxx h LYS 699 N 0.78 -1.22 -7.13 -0.62 1.57 -1.89 -3.45 116.57 104.62 2uxx h LYS 699 Ca -0.46 0.08 -0.51 0.00 -1.87 0.00 0.00 60.65 57.89 2uxx h LYS 699 Cb 1.26 0.28 0.10 0.00 0.08 0.00 0.00 32.23 33.94 2uxx h LYS 699 CO 0.54 -0.82 0.42 0.00 -0.57 0.00 0.00 179.45 179.02 2uxx s ALA 700 N -5.76 2.54 -0.99 3.86 0.00 -1.26 -4.86 121.76 115.29 2uxx s ALA 700 Ca -0.19 0.79 -0.27 0.00 0.00 0.00 0.00 51.96 52.29 2uxx s ALA 700 Cb 0.02 -3.38 -0.21 0.00 0.00 0.00 0.00 23.12 19.56 2uxx s ALA 700 CO 0.56 -1.11 2.22 -1.25 0.00 0.00 0.00 175.76 176.17 2uxx s PRO 701 N -3.60 1.24 -0.03 0.00 0.04 -1.26 -4.88 135.00 126.51 2uxx s PRO 701 Ca 0.72 -0.11 0.06 0.00 0.04 0.00 0.00 61.00 61.70 2uxx s PRO 701 Cb -0.25 -4.91 -0.01 0.00 0.04 0.00 0.00 34.50 29.37 2uxx s PRO 701 CO 0.34 -5.26 -0.20 0.42 0.04 0.00 0.00 177.00 172.34 2uxx s ILE 702 N 16.66 1.61 -0.08 0.56 1.01 -1.26 -1.62 121.20 138.07 2uxx s ILE 702 Ca 0.86 -0.84 0.04 0.00 0.00 0.00 0.00 60.65 60.70 2uxx s ILE 702 Cb -0.08 -1.35 -0.00 0.00 0.01 0.00 0.00 42.46 41.04 2uxx s ILE 702 CO 0.15 0.46 -0.22 -0.76 0.00 0.00 0.00 174.94 174.57 2uxx s LEU 703 N -0.26 2.00 -0.22 2.97 1.43 -0.32 -4.62 118.68 119.66 2uxx s LEU 703 Ca 0.02 -0.49 -0.02 0.00 -1.03 0.00 0.00 54.13 52.62 2uxx s LEU 703 Cb -0.10 -1.27 0.01 0.00 0.03 0.00 0.00 46.19 44.87 2uxx s LEU 703 CO 0.01 0.15 -0.09 -0.22 0.23 0.00 0.00 176.35 176.44 2uxx s LEU 704 N 0.27 2.86 0.04 1.79 0.20 -0.77 -0.19 118.68 122.88 2uxx s LEU 704 Ca -0.14 -0.66 -0.10 0.00 0.69 0.00 0.00 54.13 53.92 2uxx s LEU 704 Cb -0.16 -1.65 -0.05 0.00 -0.43 0.00 0.00 46.19 43.89 2uxx s LEU 704 CO 0.07 -0.06 0.37 0.00 -0.29 0.00 0.00 176.35 176.43 2uxx s ALA 705 N 1.37 3.75 -0.09 5.97 0.00 0.20 -0.17 121.76 132.79 2uxx s ALA 705 Ca 0.03 -0.39 0.00 0.00 0.00 0.00 0.00 51.96 51.60 2uxx s ALA 705 Cb -0.15 -2.25 -0.03 0.00 0.00 0.00 0.00 23.12 20.70 2uxx s ALA 705 CO -0.06 0.56 -0.08 -0.51 0.00 0.00 0.00 175.76 175.67 2uxx s LEU 706 N -1.66 3.07 -0.24 0.00 1.43 -0.33 -0.41 118.68 120.53 2uxx s LEU 706 Ca 0.29 -0.10 0.01 0.00 -1.03 0.00 0.00 54.13 53.30 2uxx s LEU 706 Cb -0.14 -1.68 0.04 0.00 0.03 0.00 0.00 46.19 44.44 2uxx s LEU 706 CO 0.16 0.30 -0.11 -0.69 0.23 0.00 0.00 176.35 176.24 2uxx s VAL 707 N -0.44 2.40 0.44 -1.59 1.01 -0.27 -2.22 120.40 119.74 2uxx s VAL 707 Ca 0.06 -1.30 0.03 0.00 0.00 0.00 0.00 61.98 60.78 2uxx s VAL 707 Cb -0.12 -2.27 -0.04 0.00 0.00 0.00 0.00 36.38 33.95 2uxx s VAL 707 CO 0.02 0.15 0.04 0.00 0.00 0.00 0.00 175.10 175.32 2uxx s ALA 708 N 1.22 3.37 0.00 5.51 0.00 0.24 -1.53 121.76 130.56 2uxx s ALA 708 Ca -0.03 -1.25 0.00 0.00 0.00 0.00 0.00 51.96 50.68 2uxx s ALA 708 Cb -0.17 0.32 0.00 0.00 0.00 0.00 0.00 23.12 23.27 2uxx s ALA 708 CO -0.06 -0.16 0.00 0.41 0.00 0.00 0.00 175.76 175.95 2uxx n GLY 709 N -1.03 1.01 0.35 0.00 0.00 -1.26 -2.79 105.19 101.47 2uxx n GLY 709 Ca -0.10 -0.60 0.18 0.00 0.00 0.00 0.00 46.02 45.50 2uxx n GLY 709 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2uxx h GLU 710 N 0.00 0.00 -0.49 1.61 4.39 -1.92 -1.62 114.58 116.55 2uxx h GLU 710 Ca 0.00 0.00 -0.12 0.00 0.34 0.00 0.00 59.36 59.58 2uxx h GLU 710 Cb 0.00 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.63 2uxx h GLU 710 CO 0.00 0.00 -0.16 0.00 -1.16 0.00 0.00 179.01 177.69 2uxx h ALA 711 N 1.64 0.79 -0.40 3.43 0.00 -1.76 -3.23 119.26 119.73 2uxx h ALA 711 Ca 0.11 -0.36 0.08 0.00 0.00 0.00 0.00 54.91 54.73 2uxx h ALA 711 Cb 0.68 -0.18 -0.09 0.00 0.00 0.00 0.00 17.79 18.20 2uxx h ALA 711 CO -0.00 0.66 -0.37 0.00 0.00 0.00 0.00 179.25 179.54 2uxx h ALA 712 N 0.97 -0.28 -0.68 0.00 0.00 -1.20 0.91 119.26 118.98 2uxx h ALA 712 Ca 0.12 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2uxx h ALA 712 Cb 0.71 0.78 -0.03 0.00 0.00 0.00 0.00 17.79 19.25 2uxx h ALA 712 CO 0.05 -0.78 0.28 0.78 0.00 0.00 0.00 179.25 179.59 2uxx h GLY 713 N -0.28 1.07 0.60 0.00 0.00 -1.71 -3.20 103.07 99.54 2uxx h GLY 713 Ca 0.16 -0.55 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 2uxx h GLY 713 CO -0.55 0.52 -0.25 -2.22 0.00 0.00 0.00 176.54 174.04 2uxx h ILE 714 N 0.98 1.45 -0.02 2.60 2.04 -1.41 -3.27 117.51 119.89 2uxx h ILE 714 Ca 0.23 -1.70 0.01 0.00 1.00 0.00 0.00 64.86 64.39 2uxx h ILE 714 Cb 0.17 2.41 -0.00 0.00 -0.74 0.00 0.00 36.82 38.66 2uxx h ILE 714 CO -0.02 0.48 0.15 0.24 0.00 0.00 0.00 178.15 179.00 2uxx h MET 715 N -0.29 0.00 0.00 2.37 2.86 -0.85 -1.42 114.93 117.60 2uxx h MET 715 Ca -0.02 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.60 2uxx h MET 715 Cb 0.91 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.56 2uxx h MET 715 CO 0.05 0.00 -0.11 0.93 1.06 0.00 0.00 176.91 178.84 2uxx h GLU 716 N 0.00 0.00 -0.03 1.72 5.08 -1.60 -1.78 114.58 117.97 2uxx h GLU 716 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2uxx h GLU 716 Cb 0.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.57 2uxx h GLU 716 CO -0.00 0.11 0.00 0.09 -1.00 0.00 0.00 179.01 178.21 2uxx n ASN 717 N -3.42 1.94 -4.74 1.42 5.03 -0.53 -4.84 115.26 110.11 2uxx n ASN 717 Ca -0.01 -1.65 -0.35 0.00 0.87 0.00 0.00 54.58 53.44 2uxx n ASN 717 Cb 0.28 -0.01 -0.08 0.00 -1.02 0.00 0.00 39.78 38.95 2uxx n ASN 717 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2uxx s ILE 718 N -1.98 5.28 0.77 2.41 1.01 -0.67 -5.09 121.20 122.92 2uxx s ILE 718 Ca 0.35 0.14 -0.14 0.00 0.00 0.00 0.00 60.65 61.00 2uxx s ILE 718 Cb 0.21 -3.37 0.06 0.00 0.01 0.00 0.00 42.46 39.37 2uxx s ILE 718 CO 0.32 0.49 1.19 -0.94 0.00 0.00 0.00 174.94 176.00 2uxx s SER 719 N -0.00 3.96 0.14 3.58 1.04 -1.26 -4.84 113.70 116.31 2uxx s SER 719 Ca 0.09 2.29 -0.20 0.00 0.48 0.00 0.00 55.95 58.61 2uxx s SER 719 Cb -0.11 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.45 2uxx s SER 719 CO -0.00 -2.42 1.67 0.44 0.98 0.00 0.00 173.24 173.91 2uxx h ASP 720 N -0.66 -0.44 -0.67 7.02 3.32 -1.98 -2.23 116.42 120.78 2uxx h ASP 720 Ca -0.46 0.10 0.14 0.00 0.02 0.00 0.00 57.03 56.82 2uxx h ASP 720 Cb 1.29 0.24 -0.10 0.00 0.22 0.00 0.00 39.33 40.97 2uxx h ASP 720 CO 0.48 -0.17 0.16 0.44 -1.72 0.00 0.00 179.24 178.43 2uxx h ASP 721 N -0.11 0.02 -0.36 6.45 5.19 -1.99 0.15 116.42 125.77 2uxx h ASP 721 Ca 0.13 0.13 -0.13 0.00 -0.62 0.00 0.00 57.03 56.54 2uxx h ASP 721 Cb 0.31 0.17 -0.01 0.00 0.18 0.00 0.00 39.33 39.97 2uxx h ASP 721 CO -0.31 -0.01 -0.25 0.58 -3.12 0.00 0.00 179.24 176.13 2uxx h VAL 722 N 0.28 1.27 -0.01 -1.35 2.07 -1.88 -1.19 116.25 115.44 2uxx h VAL 722 Ca 0.37 -1.40 -0.00 0.00 0.82 0.00 0.00 66.70 66.48 2uxx h VAL 722 Cb 0.58 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.57 2uxx h VAL 722 CO -0.45 0.47 0.00 0.40 0.02 0.00 0.00 177.57 178.01 2uxx h ILE 723 N 0.75 1.15 -0.76 4.57 2.04 -0.61 -1.91 117.51 122.73 2uxx h ILE 723 Ca 0.09 -0.44 0.01 0.00 1.00 0.00 0.00 64.86 65.52 2uxx h ILE 723 Cb 0.80 1.44 -0.04 0.00 -0.74 0.00 0.00 36.82 38.28 2uxx h ILE 723 CO 0.07 0.12 0.51 0.58 0.00 0.00 0.00 178.15 179.42 2uxx h VAL 724 N -0.17 1.20 -0.27 1.67 2.07 -0.72 -1.74 116.25 118.28 2uxx h VAL 724 Ca 0.00 -0.36 0.01 0.00 0.82 0.00 0.00 66.70 67.18 2uxx h VAL 724 Cb 0.19 0.07 -0.02 0.00 -1.52 0.00 0.00 31.29 30.01 2uxx h VAL 724 CO -0.00 0.19 0.15 1.23 0.02 0.00 0.00 177.57 179.16 2uxx h GLY 725 N 1.03 0.37 1.08 2.17 0.00 -0.93 -0.88 103.07 105.91 2uxx h GLY 725 Ca 0.28 -0.12 -0.03 0.00 0.00 0.00 0.00 47.33 47.46 2uxx h GLY 725 CO -0.06 0.10 0.38 3.21 0.00 0.00 0.00 176.54 180.17 2uxx h ARG 726 N 0.32 1.19 -0.29 4.80 3.08 -0.79 -0.63 114.38 122.06 2uxx h ARG 726 Ca 0.10 -0.18 0.01 0.00 0.07 0.00 0.00 59.98 59.98 2uxx h ARG 726 Cb -0.00 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.82 2uxx h ARG 726 CO -0.05 0.92 0.18 0.00 -1.07 0.00 0.00 179.97 179.95 2uxx h LEU 728 N 0.37 0.76 -0.69 0.00 3.38 -0.87 -1.88 115.31 116.39 2uxx h LEU 728 Ca 0.11 -0.29 0.06 0.00 0.09 0.00 0.00 57.88 57.86 2uxx h LEU 728 Cb -0.03 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 2uxx h LEU 728 CO -0.04 0.86 0.38 0.00 0.09 0.00 0.00 178.44 179.74 2uxx h ALA 729 N 0.93 0.93 -0.08 1.53 0.00 -0.89 0.41 119.26 122.09 2uxx h ALA 729 Ca 0.13 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 2uxx h ALA 729 Cb 0.45 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 2uxx h ALA 729 CO 0.02 0.05 0.02 0.82 0.00 0.00 0.00 179.25 180.16 2uxx h ILE 730 N 0.70 1.20 -0.72 0.00 2.04 -1.18 -2.45 117.51 117.10 2uxx h ILE 730 Ca 0.31 -0.62 -0.04 0.00 1.00 0.00 0.00 64.86 65.51 2uxx h ILE 730 Cb 0.21 1.46 -0.03 0.00 -0.74 0.00 0.00 36.82 37.71 2uxx h ILE 730 CO -0.19 0.17 0.29 -0.07 0.00 0.00 0.00 178.15 178.35 2uxx h LEU 731 N -0.08 0.98 -0.93 1.44 3.38 -0.81 -2.63 115.31 116.65 2uxx h LEU 731 Ca 0.03 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 2uxx h LEU 731 Cb 0.26 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 2uxx h LEU 731 CO 0.00 0.87 0.40 0.11 0.09 0.00 0.00 178.44 179.91 2uxx h LYS 732 N 1.04 1.17 0.00 1.13 1.57 -0.12 -0.44 116.57 120.92 2uxx h LYS 732 Ca 0.24 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2uxx h LYS 732 Cb 0.19 -0.21 0.00 0.00 0.08 0.00 0.00 32.23 32.29 2uxx h LYS 732 CO -0.02 0.89 0.00 0.78 -0.57 0.00 0.00 179.45 180.53 2uxx h GLY 733 N 1.18 0.00 0.00 3.86 0.00 -1.08 -1.23 103.07 105.80 2uxx h GLY 733 Ca 0.28 0.00 -0.26 0.00 0.00 0.00 0.00 47.33 47.35 2uxx h GLY 733 CO -0.04 0.00 -1.83 1.39 0.00 0.00 0.00 176.54 176.06 2uxx n ILE 734 N -2.54 1.52 1.06 2.60 5.41 -0.79 -4.25 119.36 122.37 2uxx n ILE 734 Ca 0.02 -0.15 0.12 0.00 1.00 0.00 0.00 62.75 63.74 2uxx n ILE 734 Cb 0.25 -2.09 0.19 0.00 -0.71 0.00 0.00 39.64 37.28 2uxx n ILE 734 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 2uxx n PHE 735 N -4.35 0.00 0.00 1.39 3.72 -0.24 -5.01 117.46 112.97 2uxx n PHE 735 Ca -0.36 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.04 2uxx n PHE 735 Cb 0.72 -0.15 0.00 0.00 -0.94 0.00 0.00 39.48 39.11 2uxx n PHE 735 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2uxx n GLY 736 N 1.45 3.12 0.35 1.37 0.00 -0.48 -4.61 105.19 106.40 2uxx n GLY 736 Ca 0.07 -1.51 0.18 0.00 0.00 0.00 0.00 46.02 44.76 2uxx n GLY 736 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2uxx h SER 737 N 0.00 0.00 0.18 1.61 0.87 -1.87 -2.30 113.55 112.04 2uxx h SER 737 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2uxx h SER 737 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2uxx h SER 737 CO 0.00 0.00 -1.41 -1.54 -0.53 0.00 0.00 176.83 173.35 2uxx n SER 738 N -4.07 0.47 0.22 6.23 3.41 -1.26 -4.33 113.62 114.29 2uxx n SER 738 Ca 0.05 -0.29 0.14 0.00 -0.26 0.00 0.00 58.87 58.50 2uxx n SER 738 Cb 0.43 1.32 0.42 0.00 -0.26 0.00 0.00 64.21 66.12 2uxx n SER 738 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2uxx h ALA 739 N 2.41 1.00 -2.45 7.33 0.00 -1.66 -3.42 119.26 122.46 2uxx h ALA 739 Ca 0.00 0.00 -0.73 0.00 0.00 0.00 0.00 54.91 54.18 2uxx h ALA 739 Cb 0.80 0.00 -0.25 0.00 0.00 0.00 0.00 17.79 18.34 2uxx h ALA 739 CO 0.00 0.00 -0.36 0.08 0.00 0.00 0.00 179.25 178.97 2uxx s VAL 740 N -3.38 4.83 0.57 0.00 1.01 -1.23 -4.81 120.40 117.39 2uxx s VAL 740 Ca 0.05 -1.28 -0.08 0.00 0.00 0.00 0.00 61.98 60.67 2uxx s VAL 740 Cb 0.08 -3.96 -0.02 0.00 0.00 0.00 0.00 36.38 32.48 2uxx s VAL 740 CO 0.59 -0.61 0.91 -2.16 0.00 0.00 0.00 175.10 173.83 2uxx s PRO 741 N 1.55 3.31 0.24 2.72 0.04 -1.26 -5.01 135.00 136.58 2uxx s PRO 741 Ca 0.04 0.31 -0.31 0.00 0.04 0.00 0.00 61.00 61.08 2uxx s PRO 741 Cb -0.25 -2.23 -0.11 0.00 0.04 0.00 0.00 34.50 31.95 2uxx s PRO 741 CO 0.04 -0.52 1.55 -0.65 0.04 0.00 0.00 177.00 177.46 2uxx s GLN 742 N -4.99 4.19 0.45 4.56 -1.52 -1.26 -4.94 119.66 116.15 2uxx s GLN 742 Ca 0.52 2.44 -0.24 0.00 -1.95 0.00 0.00 55.36 56.13 2uxx s GLN 742 Cb -0.11 -3.09 -0.08 0.00 -0.22 0.00 0.00 33.01 29.52 2uxx s GLN 742 CO 0.48 -0.57 1.28 -1.25 -0.25 0.00 0.00 175.29 174.98 2uxx s PRO 743 N 0.10 3.75 0.11 2.91 0.04 -1.26 -4.91 135.00 135.74 2uxx s PRO 743 Ca 0.65 2.09 0.08 0.00 0.04 0.00 0.00 61.00 63.86 2uxx s PRO 743 Cb -0.45 -2.57 -0.20 0.00 0.04 0.00 0.00 34.50 31.32 2uxx s PRO 743 CO 0.41 -0.65 1.21 0.87 0.04 0.00 0.00 177.00 178.88 2uxx h LYS 744 N 2.28 0.00 -3.10 4.56 1.79 -1.11 -3.46 116.57 117.53 2uxx h LYS 744 Ca -0.50 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 57.81 2uxx h LYS 744 Cb 1.26 0.00 -0.26 0.00 -1.58 0.00 0.00 32.23 31.65 2uxx h LYS 744 CO 0.61 0.91 -0.43 -1.21 -1.08 0.00 0.00 179.45 178.25 2uxx s GLU 745 N -2.71 0.28 -0.01 3.15 0.41 -1.18 -5.03 118.70 113.62 2uxx s GLU 745 Ca 0.00 0.38 -0.00 0.00 -0.41 0.00 0.00 54.97 54.94 2uxx s GLU 745 Cb 0.10 0.11 0.01 0.00 -1.78 0.00 0.00 34.13 32.56 2uxx s GLU 745 CO 0.82 -0.05 0.02 0.95 -0.49 0.00 0.00 175.26 176.50 2uxx s THR 746 N 0.29 -0.01 -0.02 3.63 -4.23 -1.26 -0.71 115.64 113.33 2uxx s THR 746 Ca -0.01 0.04 0.02 0.00 -1.18 0.00 0.00 61.69 60.55 2uxx s THR 746 Cb -0.03 -0.04 0.01 0.00 1.34 0.00 0.00 72.50 73.78 2uxx s THR 746 CO -0.01 0.02 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.34 2uxx s VAL 747 N 0.20 0.53 -0.10 2.29 1.01 -0.91 -4.99 120.40 118.44 2uxx s VAL 747 Ca -0.02 -0.22 0.02 0.00 0.00 0.00 0.00 61.98 61.76 2uxx s VAL 747 Cb -0.02 -0.49 0.01 0.00 0.00 0.00 0.00 36.38 35.88 2uxx s VAL 747 CO -0.01 0.18 -0.14 -0.69 0.00 0.00 0.00 175.10 174.44 2uxx s VAL 748 N 0.27 1.39 0.26 2.92 1.01 -1.26 -0.41 120.40 124.57 2uxx s VAL 748 Ca -0.03 -0.58 -0.12 0.00 0.00 0.00 0.00 61.98 61.25 2uxx s VAL 748 Cb -0.07 -1.27 -0.08 0.00 0.00 0.00 0.00 36.38 34.96 2uxx s VAL 748 CO -0.00 0.42 0.61 -0.94 0.00 0.00 0.00 175.10 175.19 2uxx s SER 749 N 0.94 6.68 -0.40 3.32 1.04 -0.85 -5.03 113.70 119.39 2uxx s SER 749 Ca -0.08 1.05 0.06 0.00 0.48 0.00 0.00 55.95 57.46 2uxx s SER 749 Cb -0.15 -2.28 0.21 0.00 0.10 0.00 0.00 66.02 63.90 2uxx s SER 749 CO -0.00 -0.11 0.45 0.54 0.98 0.00 0.00 173.24 175.09 2uxx n ARG 750 N -0.18 0.46 -0.05 4.02 1.74 -1.26 -4.55 116.66 116.83 2uxx n ARG 750 Ca 0.01 -3.14 -0.00 0.00 -0.77 0.00 0.00 57.85 53.96 2uxx n ARG 750 Cb 0.53 -1.44 0.29 0.00 -1.02 0.00 0.00 32.46 30.81 2uxx n ARG 750 CO 0.00 0.00 0.00 -1.49 -1.52 0.00 0.00 177.63 174.62 2uxx h TRP 751 N 4.80 0.65 -0.38 -1.55 4.06 -1.89 -2.24 115.95 119.39 2uxx h TRP 751 Ca 0.16 -0.04 -0.11 0.00 2.06 0.00 0.00 58.89 60.96 2uxx h TRP 751 Cb 0.90 -0.20 -0.01 0.00 -1.00 0.00 0.00 29.16 28.86 2uxx h TRP 751 CO 0.30 0.55 -0.17 -0.09 -3.56 0.00 0.00 178.44 175.47 2uxx h ARG 752 N 0.63 0.79 0.00 0.49 9.65 -1.85 -0.28 114.38 123.80 2uxx h ARG 752 Ca 0.14 -0.34 -0.01 0.00 -1.10 0.00 0.00 59.98 58.68 2uxx h ARG 752 Cb 0.22 -0.03 -0.00 0.00 -1.39 0.00 0.00 29.97 28.78 2uxx h ARG 752 CO -0.01 0.96 -0.02 0.00 2.80 0.00 0.00 179.97 183.70 2uxx h ALA 753 N 0.81 0.99 -2.05 2.80 0.00 -1.90 -3.37 119.26 116.54 2uxx h ALA 753 Ca 0.09 -0.02 -0.57 0.00 0.00 0.00 0.00 54.91 54.40 2uxx h ALA 753 Cb 0.72 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.50 2uxx h ALA 753 CO 0.05 0.03 1.31 0.34 0.00 0.00 0.00 179.25 180.99 2uxx s ASP 754 N -5.93 5.96 0.62 0.00 -1.08 -0.85 -4.87 116.67 110.52 2uxx s ASP 754 Ca 0.03 1.88 0.37 0.00 -0.52 0.00 0.00 52.55 54.31 2uxx s ASP 754 Cb 0.08 -2.52 2.06 0.00 -1.46 0.00 0.00 42.92 41.07 2uxx s ASP 754 CO 0.60 -1.56 2.27 1.55 0.52 0.00 0.00 175.17 178.55 2uxx h PRO 755 N 12.73 0.00 -0.61 4.34 0.13 -1.87 0.32 132.00 147.03 2uxx h PRO 755 Ca -0.40 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2uxx h PRO 755 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2uxx h PRO 755 CO 0.98 0.02 0.00 0.91 -0.23 0.00 0.00 178.00 179.67 2uxx n TRP 756 N -3.38 0.83 0.13 1.56 5.03 -1.26 -4.58 117.44 115.77 2uxx n TRP 756 Ca -0.03 -0.41 0.00 0.00 3.03 0.00 0.00 57.50 60.10 2uxx n TRP 756 Cb 0.11 -0.01 0.00 0.00 -1.03 0.00 0.00 31.31 30.38 2uxx n TRP 756 CO 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 177.69 177.66 2uxx n ALA 757 N 1.26 3.00 -2.55 6.99 0.00 -0.75 -4.75 120.51 123.71 2uxx n ALA 757 Ca 0.20 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.48 2uxx n ALA 757 Cb 0.52 0.02 0.01 0.00 0.00 0.00 0.00 19.45 20.00 2uxx n ALA 757 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2uxx n ARG 758 N -3.41 -2.42 0.00 0.00 5.12 0.10 -3.68 116.66 112.38 2uxx n ARG 758 Ca 0.00 0.72 0.00 0.00 -1.93 0.00 0.00 57.85 56.64 2uxx n ARG 758 Cb 0.00 -5.09 0.00 0.00 -1.16 0.00 0.00 32.46 26.21 2uxx n ARG 758 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2uxx n GLY 759 N -1.17 0.68 0.07 -0.13 0.00 -0.14 -4.67 105.19 99.84 2uxx n GLY 759 Ca -0.14 -1.76 -0.06 0.00 0.00 0.00 0.00 46.02 44.06 2uxx n GLY 759 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2uxx n SER 760 N 0.00 1.84 -3.70 1.61 3.41 0.17 -4.60 113.62 112.35 2uxx n SER 760 Ca 0.00 0.57 -0.09 0.00 -0.26 0.00 0.00 58.87 59.10 2uxx n SER 760 Cb 0.00 -0.84 -0.02 0.00 -0.26 0.00 0.00 64.21 63.09 2uxx n SER 760 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2uxx s TYR 761 N -2.38 -0.32 0.57 7.33 -0.85 -1.24 -5.01 117.35 115.44 2uxx s TYR 761 Ca -0.18 -0.05 -0.16 0.00 -0.52 0.00 0.00 57.07 56.17 2uxx s TYR 761 Cb 0.02 0.65 -0.05 0.00 0.38 0.00 0.00 41.96 42.97 2uxx s TYR 761 CO 0.26 -1.09 1.03 -1.54 -1.52 0.00 0.00 175.55 172.70 2uxx s SER 762 N -2.86 6.07 0.05 -0.18 1.04 -1.26 -0.17 113.70 116.39 2uxx s SER 762 Ca 0.07 1.73 -0.02 0.00 0.48 0.00 0.00 55.95 58.21 2uxx s SER 762 Cb -0.04 -2.52 -0.04 0.00 0.10 0.00 0.00 66.02 63.52 2uxx s SER 762 CO -0.00 -0.97 -0.01 -0.72 0.98 0.00 0.00 173.24 172.51 2uxx s TYR 763 N -2.53 0.47 -0.74 5.02 -0.85 -0.24 -4.56 117.35 113.92 2uxx s TYR 763 Ca 0.62 -0.98 -0.25 0.00 -0.52 0.00 0.00 57.07 55.94 2uxx s TYR 763 Cb -0.14 -0.34 0.05 0.00 0.38 0.00 0.00 41.96 41.91 2uxx s TYR 763 CO 0.35 -0.38 1.18 0.08 -1.52 0.00 0.00 175.55 175.27 2uxx s VAL 764 N -3.69 3.98 0.60 -3.49 1.01 -1.26 -2.49 120.40 115.06 2uxx s VAL 764 Ca 0.05 -0.01 -0.14 0.00 0.00 0.00 0.00 61.98 61.88 2uxx s VAL 764 Cb 0.06 -4.84 -0.04 0.00 0.00 0.00 0.00 36.38 31.56 2uxx s VAL 764 CO -0.09 -1.71 1.04 0.00 0.00 0.00 0.00 175.10 174.33 2uxx s ALA 765 N 5.00 2.84 0.12 5.51 0.00 -1.26 -0.86 121.76 133.12 2uxx s ALA 765 Ca 0.31 0.23 -0.31 0.00 0.00 0.00 0.00 51.96 52.19 2uxx s ALA 765 Cb -0.10 -3.18 -0.09 0.00 0.00 0.00 0.00 23.12 19.74 2uxx s ALA 765 CO 0.11 -0.75 1.63 0.00 0.00 0.00 0.00 175.76 176.75 2uxx s ALA 766 N -2.69 3.74 0.00 0.00 0.00 -0.38 -1.26 121.76 121.18 2uxx s ALA 766 Ca 0.60 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.88 2uxx s ALA 766 Cb -0.14 -3.66 0.00 0.00 0.00 0.00 0.00 23.12 19.32 2uxx s ALA 766 CO 0.41 -0.95 0.00 0.41 0.00 0.00 0.00 175.76 175.63 2uxx n GLY 767 N 3.89 0.32 3.81 0.00 0.00 -1.26 -4.92 105.19 107.03 2uxx n GLY 767 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.86 2uxx n GLY 767 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2uxx s SER 768 N -2.56 4.30 0.39 1.61 0.15 -0.39 -5.00 113.70 112.20 2uxx s SER 768 Ca 0.00 -1.51 -0.15 0.00 0.70 0.00 0.00 55.95 54.99 2uxx s SER 768 Cb 0.00 0.48 0.05 0.00 -1.71 0.00 0.00 66.02 64.84 2uxx s SER 768 CO 0.00 -0.93 0.78 -0.94 1.20 0.00 0.00 173.24 173.35 2uxx s SER 769 N -4.01 0.05 0.36 5.45 1.04 -1.26 -4.84 113.70 110.48 2uxx s SER 769 Ca 0.15 -1.18 0.27 0.00 0.48 0.00 0.00 55.95 55.67 2uxx s SER 769 Cb 0.00 0.85 1.24 0.00 0.10 0.00 0.00 66.02 68.22 2uxx s SER 769 CO 0.09 -1.69 1.80 1.23 0.98 0.00 0.00 173.24 175.65 2uxx h GLY 770 N 2.00 0.00 2.00 7.32 0.00 -1.96 -2.65 103.07 109.78 2uxx h GLY 770 Ca -0.32 0.00 -0.10 0.00 0.00 0.00 0.00 47.33 46.91 2uxx h GLY 770 CO 0.41 0.00 -0.48 -0.57 0.00 0.00 0.00 176.54 175.91 2uxx h ASN 771 N 0.00 0.00 0.01 0.19 -0.73 -1.99 -2.88 115.58 110.18 2uxx h ASN 771 Ca 0.00 -0.00 -0.04 0.00 1.87 0.00 0.00 56.30 58.13 2uxx h ASN 771 Cb 0.23 -0.00 -0.01 0.00 0.27 0.00 0.00 38.32 38.81 2uxx h ASN 771 CO 0.00 0.48 -0.09 0.44 -0.37 0.00 0.00 177.43 177.88 2uxx h ASP 772 N 0.00 0.19 -0.57 1.15 3.32 -1.89 -1.52 116.42 117.10 2uxx h ASP 772 Ca -0.00 -0.03 -0.09 0.00 0.02 0.00 0.00 57.03 56.93 2uxx h ASP 772 Cb 0.84 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 2uxx h ASP 772 CO 0.06 0.31 0.03 1.88 -1.72 0.00 0.00 179.24 179.80 2uxx h TYR 773 N 0.19 1.10 -0.60 4.55 0.05 -1.67 -0.27 116.97 120.31 2uxx h TYR 773 Ca 0.04 -0.17 -0.08 0.00 0.05 0.00 0.00 58.73 58.57 2uxx h TYR 773 Cb 0.29 -0.29 -0.02 0.00 1.01 0.00 0.00 36.73 37.72 2uxx h TYR 773 CO 0.00 0.96 0.05 -0.44 -1.05 0.00 0.00 178.16 177.68 2uxx h ASP 774 N 0.94 1.00 -0.51 3.88 3.32 -1.38 -2.30 116.42 121.36 2uxx h ASP 774 Ca 0.18 -0.28 -0.06 0.00 0.02 0.00 0.00 57.03 56.88 2uxx h ASP 774 Cb 0.50 -0.27 -0.03 0.00 0.22 0.00 0.00 39.33 39.76 2uxx h ASP 774 CO 0.02 1.03 0.11 -0.07 -1.72 0.00 0.00 179.24 178.61 2uxx h LEU 775 N 0.93 0.84 -1.48 1.55 3.38 -0.88 -2.07 115.31 117.58 2uxx h LEU 775 Ca 0.18 -0.17 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2uxx h LEU 775 Cb 0.49 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2uxx h LEU 775 CO 0.02 0.84 -0.27 0.24 0.09 0.00 0.00 178.44 179.36 2uxx h MET 776 N 0.85 0.00 0.00 1.13 2.86 -0.72 -2.81 114.93 116.24 2uxx h MET 776 Ca 0.18 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.80 2uxx h MET 776 Cb 0.35 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.01 2uxx h MET 776 CO 0.00 0.27 -0.22 0.00 1.06 0.00 0.00 176.91 178.02 2uxx h ALA 777 N 1.73 0.88 -2.49 6.32 0.00 -0.83 -3.44 119.26 121.44 2uxx h ALA 777 Ca -0.00 -0.10 -0.53 0.00 0.00 0.00 0.00 54.91 54.28 2uxx h ALA 777 Cb 0.51 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.32 2uxx h ALA 777 CO 0.03 0.13 1.02 -0.65 0.00 0.00 0.00 179.25 179.78 2uxx s GLN 778 N -3.18 4.18 0.75 0.00 -1.52 -1.00 -4.47 119.66 114.41 2uxx s GLN 778 Ca 0.05 2.42 -0.12 0.00 -1.95 0.00 0.00 55.36 55.76 2uxx s GLN 778 Cb 0.06 -3.53 0.05 0.00 -0.22 0.00 0.00 33.01 29.37 2uxx s GLN 778 CO 0.70 -0.75 1.12 -1.25 -0.25 0.00 0.00 175.29 174.85 2uxx s PRO 779 N 2.44 2.26 -0.19 2.91 0.04 -1.26 -4.75 135.00 136.46 2uxx s PRO 779 Ca 0.76 1.36 -0.06 0.00 0.04 0.00 0.00 61.00 63.09 2uxx s PRO 779 Cb -0.42 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 2uxx s PRO 779 CO 0.33 -1.66 0.04 0.42 0.04 0.00 0.00 177.00 176.17 2uxx s ILE 780 N -2.58 4.50 -0.26 0.56 -1.09 0.13 -4.98 121.20 117.47 2uxx s ILE 780 Ca 0.65 -0.13 -0.06 0.00 -2.23 0.00 0.00 60.65 58.87 2uxx s ILE 780 Cb -0.20 -3.03 -0.01 0.00 -1.58 0.00 0.00 42.46 37.64 2uxx s ILE 780 CO 0.50 0.45 0.05 -0.89 -1.23 0.00 0.00 174.94 173.82 2uxx s THR 781 N 0.55 4.00 0.77 2.92 2.01 -1.26 -1.57 115.64 123.06 2uxx s THR 781 Ca 0.02 -0.40 -0.11 0.00 0.31 0.00 0.00 61.69 61.51 2uxx s THR 781 Cb -0.13 -2.92 0.06 0.00 0.01 0.00 0.00 72.50 69.51 2uxx s THR 781 CO 0.01 0.28 1.08 -2.16 -0.69 0.00 0.00 174.62 173.15 2uxx s PRO 782 N 1.55 2.27 0.86 4.92 0.04 -1.26 -4.98 135.00 138.39 2uxx s PRO 782 Ca 0.05 1.05 -0.12 0.00 0.04 0.00 0.00 61.00 62.02 2uxx s PRO 782 Cb -0.16 -1.91 0.11 0.00 0.04 0.00 0.00 34.50 32.58 2uxx s PRO 782 CO 0.02 -1.60 1.13 0.20 0.04 0.00 0.00 177.00 176.78 2uxx s GLY 783 N -3.51 1.59 0.51 0.56 0.00 -1.26 -4.56 107.32 100.66 2uxx s GLY 783 Ca 0.61 -0.42 -0.20 0.00 0.00 0.00 0.00 44.72 44.71 2uxx s GLY 783 CO 0.56 0.08 1.09 2.56 0.00 0.00 0.00 173.10 177.39 2uxx s PRO 784 N -5.26 3.57 0.04 2.90 0.04 -1.26 -4.07 135.00 130.95 2uxx s PRO 784 Ca 0.62 1.51 -0.17 0.00 0.04 0.00 0.00 61.00 63.00 2uxx s PRO 784 Cb -0.14 -2.07 -0.22 0.00 0.04 0.00 0.00 34.50 32.11 2uxx s PRO 784 CO 0.53 -0.65 1.16 0.77 0.04 0.00 0.00 177.00 178.85 2uxx h SER 785 N 1.40 0.71 -3.41 6.66 0.02 -1.95 -3.43 113.55 113.55 2uxx h SER 785 Ca -0.50 -0.73 -0.62 0.00 -0.84 0.00 0.00 61.79 59.10 2uxx h SER 785 Cb 1.24 -0.22 -0.16 0.00 0.14 0.00 0.00 62.40 63.41 2uxx h SER 785 CO 0.58 1.35 -0.55 -0.63 -1.14 0.00 0.00 176.83 176.44 2uxx s ILE 786 N -3.34 4.93 0.23 3.27 1.01 -1.26 -5.07 121.20 120.97 2uxx s ILE 786 Ca -0.12 0.02 -0.32 0.00 0.00 0.00 0.00 60.65 60.24 2uxx s ILE 786 Cb 0.05 -3.25 -0.12 0.00 0.01 0.00 0.00 42.46 39.15 2uxx s ILE 786 CO 0.87 0.41 1.70 -2.16 0.00 0.00 0.00 174.94 175.76 2uxx s PRO 787 N 0.71 4.12 0.00 2.79 0.04 -1.26 -2.16 135.00 139.24 2uxx s PRO 787 Ca 0.05 2.61 0.00 0.00 0.04 0.00 0.00 61.00 63.70 2uxx s PRO 787 Cb -0.13 -3.06 0.00 0.00 0.04 0.00 0.00 34.50 31.35 2uxx s PRO 787 CO 0.02 -0.73 0.00 0.41 0.04 0.00 0.00 177.00 176.73 2uxx n GLY 788 N 3.62 0.72 3.84 0.56 0.00 -1.26 -5.07 105.19 107.60 2uxx n GLY 788 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2uxx n GLY 788 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uxx s ALA 789 N -2.57 3.22 0.68 4.61 0.00 -0.92 -5.03 121.76 121.75 2uxx s ALA 789 Ca 0.00 0.11 -0.17 0.00 0.00 0.00 0.00 51.96 51.90 2uxx s ALA 789 Cb 0.00 -2.90 0.01 0.00 0.00 0.00 0.00 23.12 20.23 2uxx s ALA 789 CO 0.00 0.15 1.26 -0.35 0.00 0.00 0.00 175.76 176.82 2uxx n PRO 790 N -0.75 0.90 -1.56 0.00 -0.04 -1.26 -4.85 135.00 127.43 2uxx n PRO 790 Ca 0.05 0.37 -0.54 0.00 -0.04 0.00 0.00 63.50 63.34 2uxx n PRO 790 Cb 0.54 -2.50 -0.07 0.00 -0.04 0.00 0.00 33.50 31.42 2uxx n PRO 790 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 2uxx n GLN 791 N -2.19 1.16 -1.04 0.54 -0.06 -1.26 -4.89 117.38 109.64 2uxx n GLN 791 Ca 0.15 0.38 -0.28 0.00 -2.00 0.00 0.00 57.00 55.25 2uxx n GLN 791 Cb 0.49 -2.28 0.19 0.00 -4.06 0.00 0.00 30.24 24.58 2uxx n GLN 791 CO 0.00 0.00 0.00 -2.14 -0.20 0.00 0.00 177.06 174.72 2uxx s PRO 792 N 4.95 0.07 0.40 3.69 0.02 -1.26 -5.02 135.00 137.85 2uxx s PRO 792 Ca 1.04 0.55 -0.24 0.00 0.02 0.00 0.00 61.00 62.37 2uxx s PRO 792 Cb -0.96 -1.69 -0.09 0.00 0.02 0.00 0.00 34.50 31.78 2uxx s PRO 792 CO 0.57 -2.98 1.09 0.42 -0.33 0.00 0.00 177.00 175.77 2uxx s ILE 793 N -2.87 3.51 0.28 2.83 1.09 -1.26 -4.90 121.20 119.88 2uxx s ILE 793 Ca 0.66 1.20 -0.30 0.00 -1.10 0.00 0.00 60.65 61.11 2uxx s ILE 793 Cb -0.20 -3.64 -0.12 0.00 -1.06 0.00 0.00 42.46 37.44 2uxx s ILE 793 CO 0.59 0.05 1.63 -2.65 -0.10 0.00 0.00 174.94 174.46 2uxx n PRO 794 N -0.01 2.75 -0.02 2.79 -0.02 -1.26 -4.33 135.00 134.90 2uxx n PRO 794 Ca 0.05 0.98 -0.02 0.00 -2.02 0.00 0.00 63.50 62.49 2uxx n PRO 794 Cb 0.48 -2.79 -0.03 0.00 -0.02 0.00 0.00 33.50 31.14 2uxx n PRO 794 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2uxx n ARG 795 N 2.54 3.04 -3.93 -0.52 5.12 -0.61 -4.97 116.66 117.34 2uxx n ARG 795 Ca 0.10 0.00 -0.35 0.00 -1.93 0.00 0.00 57.85 55.67 2uxx n ARG 795 Cb 0.37 -1.12 -0.13 0.00 -1.16 0.00 0.00 32.46 30.42 2uxx n ARG 795 CO 0.00 0.00 0.00 -1.17 -1.93 0.00 0.00 177.63 174.53 2uxx s LEU 796 N -4.40 3.27 0.20 0.55 2.96 -0.95 -1.50 118.68 118.82 2uxx s LEU 796 Ca -0.03 -0.23 0.10 0.00 -0.22 0.00 0.00 54.13 53.75 2uxx s LEU 796 Cb 0.01 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 2uxx s LEU 796 CO 0.18 0.02 -0.13 -0.36 -1.32 0.00 0.00 176.35 174.73 2uxx s PHE 797 N 1.29 2.52 -0.05 5.38 0.40 0.63 0.18 117.98 128.34 2uxx s PHE 797 Ca 0.04 -0.27 0.02 0.00 -0.60 0.00 0.00 56.93 56.12 2uxx s PHE 797 Cb -0.15 -1.21 0.02 0.00 0.51 0.00 0.00 43.02 42.19 2uxx s PHE 797 CO 0.02 0.54 -0.09 -0.06 0.70 0.00 0.00 175.22 176.33 2uxx s PHE 798 N -1.84 1.12 0.22 0.36 0.40 -1.26 0.04 117.98 117.02 2uxx s PHE 798 Ca 0.25 -0.37 0.02 0.00 -0.60 0.00 0.00 56.93 56.23 2uxx s PHE 798 Cb -0.08 -0.87 -0.05 0.00 0.51 0.00 0.00 43.02 42.53 2uxx s PHE 798 CO 0.14 -0.23 0.04 0.00 0.70 0.00 0.00 175.22 175.88 2uxx s ALA 799 N 0.72 1.64 0.00 5.36 0.00 -0.79 -4.73 121.76 123.96 2uxx s ALA 799 Ca -0.13 -1.75 0.00 0.00 0.00 0.00 0.00 51.96 50.08 2uxx s ALA 799 Cb -0.15 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.70 2uxx s ALA 799 CO 0.02 -0.35 0.00 0.41 0.00 0.00 0.00 175.76 175.84 2uxx n GLY 800 N -0.38 3.91 0.35 0.00 0.00 -1.26 -4.16 105.19 103.65 2uxx n GLY 800 Ca -0.04 -1.69 0.19 0.00 0.00 0.00 0.00 46.02 44.48 2uxx n GLY 800 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2uxx h GLU 801 N 0.00 0.53 0.00 1.61 4.22 -1.86 0.18 114.58 119.26 2uxx h GLU 801 Ca 0.00 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.41 2uxx h GLU 801 Cb 0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 2uxx h GLU 801 CO 0.00 0.35 0.00 -2.39 -2.18 0.00 0.00 179.01 174.79 2uxx n HIS 802 N -4.86 0.00 0.27 0.92 1.44 -1.26 -3.26 115.22 108.47 2uxx n HIS 802 Ca 0.27 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 56.03 2uxx n HIS 802 Cb 0.78 0.00 0.06 0.00 0.12 0.00 0.00 29.99 30.95 2uxx n HIS 802 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2uxx n THR 803 N -0.87 0.24 -3.99 0.61 -2.24 0.62 -4.66 114.28 104.00 2uxx n THR 803 Ca 0.13 -0.62 -0.32 0.00 -2.27 0.00 0.00 64.05 60.97 2uxx n THR 803 Cb 0.06 1.03 -0.15 0.00 -2.10 0.00 0.00 70.33 69.18 2uxx n THR 803 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 2uxx s ILE 804 N -0.87 2.40 0.24 2.28 2.07 -1.20 -4.36 121.20 121.76 2uxx s ILE 804 Ca 0.14 -2.28 -0.06 0.00 -1.41 0.00 0.00 60.65 57.04 2uxx s ILE 804 Cb 0.09 -2.74 0.20 0.00 0.13 0.00 0.00 42.46 40.14 2uxx s ILE 804 CO 0.13 -0.59 1.72 -0.09 -1.91 0.00 0.00 174.94 174.20 2uxx h ARG 805 N 7.67 0.37 0.00 3.50 2.43 -1.87 -1.94 114.38 124.53 2uxx h ARG 805 Ca -0.06 -0.02 -0.09 0.00 -0.81 0.00 0.00 59.98 59.00 2uxx h ARG 805 Cb 1.02 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 2uxx h ARG 805 CO 0.54 0.24 -0.45 -0.91 -1.51 0.00 0.00 179.97 177.88 2uxx h ASN 806 N 0.38 0.00 -1.12 -3.80 2.35 -1.95 -3.39 115.58 108.05 2uxx h ASN 806 Ca 0.39 0.00 -0.42 0.00 -0.55 0.00 0.00 56.30 55.71 2uxx h ASN 806 Cb 0.59 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 38.56 2uxx h ASN 806 CO -0.41 0.45 -1.05 -1.22 -1.65 0.00 0.00 177.43 173.54 2uxx n TYR 807 N -3.25 1.84 -1.59 1.19 4.01 -1.10 -4.82 117.16 113.43 2uxx n TYR 807 Ca 0.02 -2.85 -0.30 0.00 -0.16 0.00 0.00 57.90 54.61 2uxx n TYR 807 Cb 0.69 -0.29 0.20 0.00 -0.31 0.00 0.00 39.34 39.63 2uxx n TYR 807 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2uxx s PRO 808 N -3.28 0.01 -1.11 -0.72 0.04 -0.75 -3.71 135.00 125.48 2uxx s PRO 808 Ca 0.34 -0.23 -0.05 0.00 0.04 0.00 0.00 61.00 61.09 2uxx s PRO 808 Cb 0.44 -1.76 0.04 0.00 0.04 0.00 0.00 34.50 33.26 2uxx s PRO 808 CO -0.03 -2.86 0.27 0.00 0.04 0.00 0.00 177.00 174.41 2uxx n ALA 809 N -4.12 -0.95 -2.25 8.56 0.00 -1.25 -4.92 120.51 115.58 2uxx n ALA 809 Ca 0.14 0.09 -0.14 0.00 0.00 0.00 0.00 53.44 53.53 2uxx n ALA 809 Cb 0.59 -2.14 -0.09 0.00 0.00 0.00 0.00 19.45 17.81 2uxx n ALA 809 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2uxx s THR 810 N -2.75 0.00 -0.08 0.00 -4.23 -1.26 -4.98 115.64 102.35 2uxx s THR 810 Ca 0.22 -1.98 -0.23 0.00 -1.18 0.00 0.00 61.69 58.51 2uxx s THR 810 Cb -0.11 -2.50 -0.30 0.00 1.34 0.00 0.00 72.50 70.94 2uxx s THR 810 CO 0.26 0.00 0.82 0.58 -0.54 0.00 0.00 174.62 175.74 2uxx h VAL 811 N 2.50 1.52 -0.99 2.29 2.07 -1.92 -2.97 116.25 118.75 2uxx h VAL 811 Ca -0.33 -2.48 0.06 0.00 0.82 0.00 0.00 66.70 64.78 2uxx h VAL 811 Cb 1.25 3.18 -0.07 0.00 -1.52 0.00 0.00 31.29 34.13 2uxx h VAL 811 CO 0.49 0.68 0.64 1.12 0.02 0.00 0.00 177.57 180.52 2uxx h HIS 812 N -0.53 1.18 -0.40 1.57 -0.00 -1.97 0.85 115.15 115.85 2uxx h HIS 812 Ca -0.13 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.26 2uxx h HIS 812 Cb 1.50 -0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 28.50 2uxx h HIS 812 CO 0.21 0.62 0.22 0.78 -0.00 0.00 0.00 177.93 179.76 2uxx h GLY 813 N 1.16 0.60 0.98 6.13 0.00 -1.65 0.35 103.07 110.65 2uxx h GLY 813 Ca 0.42 -0.27 -0.01 0.00 0.00 0.00 0.00 47.33 47.47 2uxx h GLY 813 CO -0.16 0.26 -0.09 0.00 0.00 0.00 0.00 176.54 176.55 2uxx h ALA 814 N 1.08 -0.25 -0.41 3.60 0.00 -1.15 0.99 119.26 123.12 2uxx h ALA 814 Ca 0.14 -0.06 0.08 0.00 0.00 0.00 0.00 54.91 55.07 2uxx h ALA 814 Cb 0.05 0.10 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 2uxx h ALA 814 CO -0.02 -0.63 -0.10 1.25 0.00 0.00 0.00 179.25 179.75 2uxx h LEU 815 N -0.27 -0.38 -1.03 0.00 7.12 -0.56 -1.38 115.31 118.81 2uxx h LEU 815 Ca -0.03 0.12 -0.07 0.00 0.13 0.00 0.00 57.88 58.04 2uxx h LEU 815 Cb 0.21 0.25 -0.02 0.00 -0.53 0.00 0.00 40.66 40.57 2uxx h LEU 815 CO 0.04 -0.13 -0.03 -0.07 -0.13 0.00 0.00 178.44 178.12 2uxx h LEU 816 N 0.00 0.63 -1.05 2.25 3.38 -0.00 -2.56 115.31 117.95 2uxx h LEU 816 Ca 0.20 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.95 2uxx h LEU 816 Cb 0.30 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2uxx h LEU 816 CO -0.42 0.72 -0.14 0.77 0.09 0.00 0.00 178.44 179.46 2uxx h SER 817 N 0.62 0.50 -0.41 -0.43 4.64 0.23 -0.98 113.55 117.72 2uxx h SER 817 Ca 0.12 -0.14 -0.09 0.00 -0.47 0.00 0.00 61.79 61.22 2uxx h SER 817 Cb 0.43 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 62.37 2uxx h SER 817 CO 0.02 0.67 -0.09 1.23 -0.87 0.00 0.00 176.83 177.79 2uxx h GLY 818 N 0.94 0.84 1.28 -0.77 0.00 -1.06 -2.06 103.07 102.25 2uxx h GLY 818 Ca 0.09 -0.69 -0.06 0.00 0.00 0.00 0.00 47.33 46.67 2uxx h GLY 818 CO 0.03 0.63 0.13 1.41 0.00 0.00 0.00 176.54 178.74 2uxx h LEU 819 N 0.59 0.84 0.26 3.11 3.38 -1.12 -1.37 115.31 121.00 2uxx h LEU 819 Ca 0.10 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 2uxx h LEU 819 Cb 0.61 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.14 2uxx h LEU 819 CO 0.04 0.83 -0.13 -0.09 0.09 0.00 0.00 178.44 179.18 2uxx h ARG 820 N 0.86 -0.34 -0.75 1.13 2.43 -0.94 -2.67 114.38 114.10 2uxx h ARG 820 Ca 0.18 0.02 -0.05 0.00 -0.81 0.00 0.00 59.98 59.33 2uxx h ARG 820 Cb 0.33 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.92 2uxx h ARG 820 CO 0.00 -0.17 0.27 0.93 -1.51 0.00 0.00 179.97 179.49 2uxx h GLU 821 N -0.44 1.13 -0.73 0.20 4.39 -1.24 -1.80 114.58 116.09 2uxx h GLU 821 Ca -0.04 -0.22 0.06 0.00 0.34 0.00 0.00 59.36 59.50 2uxx h GLU 821 Cb 0.33 -0.18 -0.06 0.00 -0.10 0.00 0.00 28.75 28.75 2uxx h GLU 821 CO 0.06 0.94 0.42 0.00 -1.16 0.00 0.00 179.01 179.27 2uxx h ALA 822 N 1.19 0.99 -0.37 3.43 0.00 -1.20 0.27 119.26 123.56 2uxx h ALA 822 Ca 0.25 0.01 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 2uxx h ALA 822 Cb 0.25 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 2uxx h ALA 822 CO -0.01 0.12 -0.12 0.78 0.00 0.00 0.00 179.25 180.01 2uxx h GLY 823 N 0.78 0.81 1.06 0.00 0.00 -1.21 -1.34 103.07 103.16 2uxx h GLY 823 Ca 0.32 -0.69 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 2uxx h GLY 823 CO -0.18 0.63 0.07 -0.09 0.00 0.00 0.00 176.54 176.97 2uxx h ARG 824 N 0.54 1.04 -0.08 4.80 2.43 -0.67 -0.91 114.38 121.54 2uxx h ARG 824 Ca 0.09 -0.30 -0.02 0.00 -0.81 0.00 0.00 59.98 58.94 2uxx h ARG 824 Cb 0.65 -0.11 -0.00 0.00 -0.42 0.00 0.00 29.97 30.09 2uxx h ARG 824 CO 0.04 0.99 -0.03 0.82 -1.51 0.00 0.00 179.97 180.28 2uxx h ILE 825 N 0.95 1.32 -0.62 1.20 2.04 -0.46 -2.37 117.51 119.56 2uxx h ILE 825 Ca 0.18 -1.02 0.01 0.00 1.00 0.00 0.00 64.86 65.04 2uxx h ILE 825 Cb 0.47 1.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.35 2uxx h ILE 825 CO 0.02 0.28 0.40 0.00 0.00 0.00 0.00 178.15 178.85 2uxx h ALA 826 N 0.64 0.79 -1.00 1.87 0.00 -1.21 0.82 119.26 121.16 2uxx h ALA 826 Ca 0.02 -0.03 0.06 0.00 0.00 0.00 0.00 54.91 54.96 2uxx h ALA 826 Cb 0.47 -0.23 -0.07 0.00 0.00 0.00 0.00 17.79 17.96 2uxx h ALA 826 CO 0.01 0.18 0.65 -0.44 0.00 0.00 0.00 179.25 179.65 2uxx h ASP 827 N 0.80 1.05 -0.03 0.00 3.32 -1.13 0.50 116.42 120.93 2uxx h ASP 827 Ca 0.23 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 57.14 2uxx h ASP 827 Cb -0.05 -0.22 0.01 0.00 0.22 0.00 0.00 39.33 39.29 2uxx h ASP 827 CO -0.07 0.67 -0.57 -0.61 -1.72 0.00 0.00 179.24 176.95 2uxx h GLN 828 N 1.19 0.44 -0.02 3.56 5.75 -0.84 -2.64 115.11 122.55 2uxx h GLN 828 Ca 0.43 -0.43 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 2uxx h GLN 828 Cb 0.15 0.11 0.00 0.00 1.07 0.00 0.00 27.48 28.81 2uxx h GLN 828 CO -0.17 1.08 -0.31 1.19 -2.65 0.00 0.00 178.83 177.98 2uxx n PHE 829 N -4.23 0.00 0.00 3.99 3.72 0.22 -4.43 117.46 116.73 2uxx n PHE 829 Ca -0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.30 2uxx n PHE 829 Cb 0.65 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 2uxx n PHE 829 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 2uxx n LEU 830 N 0.32 0.00 0.00 4.37 4.77 0.17 -4.88 117.00 121.76 2uxx n LEU 830 Ca 0.11 -0.26 0.00 0.00 -0.03 0.00 0.00 56.01 55.83 2uxx n LEU 830 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2uxx n LEU 830 CO 0.24 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.91 2uxx n GLY 831 N 0.68 -2.75 3.13 -0.72 0.00 -0.99 -4.91 105.19 99.62 2uxx n GLY 831 Ca 0.00 -1.32 -0.37 0.00 0.00 0.00 0.00 46.02 44.33 2uxx n GLY 831 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2uxx s ALA 832 N -3.88 3.21 0.28 4.61 0.00 -1.25 -4.71 121.76 120.01 2uxx s ALA 832 Ca 0.00 -2.58 0.20 0.00 0.00 0.00 0.00 51.96 49.58 2uxx s ALA 832 Cb 0.00 -2.48 0.91 0.00 0.00 0.00 0.00 23.12 21.55 2uxx s ALA 832 CO 0.00 -1.83 1.85 0.52 0.00 0.00 0.00 175.76 176.30 2uxx h MET 833 N 8.05 0.00 0.00 0.00 2.86 -1.97 -3.09 114.93 120.78 2uxx h MET 833 Ca -0.13 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2uxx h MET 833 Cb 1.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.71 2uxx h MET 833 CO 0.72 0.30 0.00 2.48 1.06 0.00 0.00 176.91 181.47 2uxx n TYR 834 N -3.68 0.00 0.88 -0.22 4.11 -1.26 -5.09 117.16 111.90 2uxx n TYR 834 Ca -0.01 0.00 0.11 0.00 -0.00 0.00 0.00 57.90 58.00 2uxx n TYR 834 Cb 0.41 -0.32 0.09 0.00 -0.00 0.00 0.00 39.34 39.51 2uxx n TYR 834 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 176.86 177.11