#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4i n GLN 254 N 0.00 0.30 0.10 3.44 6.02 -1.26 -3.17 117.38 122.80 3g4i n GLN 254 Ca 0.00 0.09 0.15 0.00 -0.01 0.00 0.00 57.00 57.23 3g4i n GLN 254 Cb 0.00 -1.69 0.66 0.00 1.02 0.00 0.00 30.24 30.23 3g4i n GLN 254 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 3g4i h GLU 255 N 0.00 0.02 -0.32 -1.09 4.81 -1.99 -1.95 114.58 114.05 3g4i h GLU 255 Ca 0.00 -0.00 -0.16 0.00 -0.13 0.00 0.00 59.36 59.07 3g4i h GLU 255 Cb 0.75 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 3g4i h GLU 255 CO 0.00 0.01 -0.43 -0.44 -0.73 0.00 0.00 179.01 177.42 3g4i h ASP 256 N 0.02 0.88 -0.31 1.04 5.19 -1.98 -2.27 116.42 118.98 3g4i h ASP 256 Ca 0.16 -0.41 -0.18 0.00 -0.62 0.00 0.00 57.03 55.98 3g4i h ASP 256 Cb 0.60 -0.25 -0.00 0.00 0.18 0.00 0.00 39.33 39.86 3g4i h ASP 256 CO -0.00 1.18 -0.49 0.58 -3.12 0.00 0.00 179.24 177.39 3g4i h VAL 257 N 0.66 1.28 0.44 -1.35 2.07 -1.60 -2.43 116.25 115.32 3g4i h VAL 257 Ca 0.05 -1.67 -0.02 0.00 0.82 0.00 0.00 66.70 65.87 3g4i h VAL 257 Cb 1.00 1.57 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 3g4i h VAL 257 CO 0.10 0.55 -0.21 0.25 0.02 0.00 0.00 177.57 178.27 3g4i h LEU 258 N 0.68 -0.50 -1.31 2.57 5.85 -1.41 -1.29 115.31 119.89 3g4i h LEU 258 Ca 0.03 0.02 0.25 0.00 0.84 0.00 0.00 57.88 59.01 3g4i h LEU 258 Cb 1.10 0.13 -0.09 0.00 0.37 0.00 0.00 40.66 42.16 3g4i h LEU 258 CO 0.11 -0.36 0.65 0.00 -0.34 0.00 0.00 178.44 178.50 3g4i h ALA 259 N -0.03 2.13 -0.14 1.25 0.00 -1.43 0.71 119.26 121.75 3g4i h ALA 259 Ca -0.06 0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 3g4i h ALA 259 Cb 0.46 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.25 3g4i h ALA 259 CO 0.10 -0.52 -0.10 0.87 0.00 0.00 0.00 179.25 179.59 3g4i h LYS 260 N 0.45 0.32 -0.83 0.00 1.57 -0.93 -2.95 116.57 114.19 3g4i h LYS 260 Ca 0.58 -0.15 0.05 0.00 -1.87 0.00 0.00 60.65 59.25 3g4i h LYS 260 Cb 1.38 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 33.63 3g4i h LYS 260 CO -0.31 0.68 0.52 0.93 -0.57 0.00 0.00 179.45 180.70 3g4i h GLU 261 N -0.04 0.96 0.00 3.15 4.39 -0.09 -2.19 114.58 120.75 3g4i h GLU 261 Ca 0.03 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.67 3g4i h GLU 261 Cb 0.60 -0.22 0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3g4i h GLU 261 CO 0.03 0.63 0.00 1.28 -1.16 0.00 0.00 179.01 179.79 3g4i n LEU 262 N -4.61 0.00 0.18 1.33 4.77 0.13 -1.69 117.00 117.11 3g4i n LEU 262 Ca 0.11 0.44 0.14 0.00 -0.03 0.00 0.00 56.01 56.67 3g4i n LEU 262 Cb 0.13 -0.44 0.54 0.00 -2.33 0.00 0.00 43.42 41.32 3g4i n LEU 262 CO 0.32 -0.28 0.90 -0.33 -1.33 0.00 0.00 177.39 176.67 3g4i h GLU 263 N 0.00 0.00 -0.41 3.23 5.08 -1.22 -2.83 114.58 118.42 3g4i h GLU 263 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3g4i h GLU 263 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3g4i h GLU 263 CO 0.00 0.00 0.00 -0.25 -1.00 0.00 0.00 179.01 177.76 3g4i n ASP 264 N -2.52 2.27 0.33 1.42 8.00 -0.68 -4.51 116.55 120.85 3g4i n ASP 264 Ca 0.02 -1.98 0.21 0.00 0.71 0.00 0.00 54.79 53.74 3g4i n ASP 264 Cb 0.27 -0.27 1.12 0.00 -0.02 0.00 0.00 41.12 42.22 3g4i n ASP 264 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3g4i h VAL 265 N 2.52 0.15 -0.30 2.53 2.07 -1.69 0.17 116.25 121.68 3g4i h VAL 265 Ca 0.00 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.49 3g4i h VAL 265 Cb 0.57 1.03 0.00 0.00 -1.52 0.00 0.00 31.29 31.37 3g4i h VAL 265 CO 0.00 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.18 3g4i n ASN 266 N -3.29 1.99 -4.47 0.57 3.02 -1.26 -4.80 115.26 107.03 3g4i n ASN 266 Ca -0.03 -1.87 -0.33 0.00 -0.03 0.00 0.00 54.58 52.32 3g4i n ASN 266 Cb 0.08 -0.19 -0.13 0.00 -0.61 0.00 0.00 39.78 38.93 3g4i n ASN 266 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3g4i s LYS 267 N -1.61 2.59 -0.21 3.52 1.02 0.58 -4.88 119.74 120.75 3g4i s LYS 267 Ca 0.30 -0.69 -0.29 0.00 0.02 0.00 0.00 55.97 55.30 3g4i s LYS 267 Cb 0.16 -2.40 -0.03 0.00 -0.52 0.00 0.00 37.83 35.04 3g4i s LYS 267 CO 0.22 0.58 1.60 -0.46 -0.92 0.00 0.00 175.35 176.38 3g4i s TRP 268 N -0.63 2.13 0.00 3.18 -0.11 -1.26 -3.00 118.94 119.25 3g4i s TRP 268 Ca 0.09 0.54 0.00 0.00 1.22 0.00 0.00 56.10 57.95 3g4i s TRP 268 Cb -0.11 -3.96 0.00 0.00 -1.50 0.00 0.00 33.47 27.90 3g4i s TRP 268 CO 0.01 -2.94 0.00 0.41 -4.62 0.00 0.00 176.95 169.81 3g4i n GLY 269 N 4.58 1.47 3.45 5.86 0.00 -1.26 -4.92 105.19 114.37 3g4i n GLY 269 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 3g4i n GLY 269 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3g4i n LEU 270 N 0.00 -0.22 -3.91 0.99 7.94 -1.16 -4.83 117.00 115.80 3g4i n LEU 270 Ca 0.00 0.94 -0.42 0.00 -1.11 0.00 0.00 56.01 55.42 3g4i n LEU 270 Cb 0.00 -1.09 0.00 0.00 0.53 0.00 0.00 43.42 42.86 3g4i n LEU 270 CO 0.00 -2.88 2.37 1.41 -1.11 0.00 0.00 177.39 177.17 3g4i n HIS 271 N -0.72 3.63 -0.16 1.96 8.25 -1.26 -4.77 115.22 122.14 3g4i n HIS 271 Ca 0.12 -2.94 -0.07 0.00 -0.26 0.00 0.00 57.72 54.57 3g4i n HIS 271 Cb 0.38 -2.42 0.08 0.00 1.12 0.00 0.00 29.99 29.15 3g4i n HIS 271 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 3g4i h VAL 272 N 4.18 1.26 -0.74 1.59 3.04 -1.99 -1.68 116.25 121.91 3g4i h VAL 272 Ca 0.50 -1.13 -0.01 0.00 -1.01 0.00 0.00 66.70 65.05 3g4i h VAL 272 Cb 0.68 0.88 -0.04 0.00 -2.01 0.00 0.00 31.29 30.80 3g4i h VAL 272 CO 1.74 0.40 0.41 -0.26 -1.01 0.00 0.00 177.57 178.85 3g4i h PHE 273 N 0.86 1.02 -0.58 3.17 0.04 -1.96 0.09 116.94 119.57 3g4i h PHE 273 Ca 0.15 -0.02 -0.02 0.00 2.80 0.00 0.00 57.97 60.87 3g4i h PHE 273 Cb 0.55 -0.33 -0.03 0.00 2.20 0.00 0.00 35.95 38.35 3g4i h PHE 273 CO 0.03 0.72 0.27 0.00 -0.60 0.00 0.00 178.31 178.73 3g4i h ARG 274 N 1.03 0.85 -0.91 1.51 2.47 -1.88 -1.78 114.38 115.66 3g4i h ARG 274 Ca 0.26 -0.13 0.03 0.00 -1.26 0.00 0.00 59.98 58.87 3g4i h ARG 274 Cb 0.03 -0.15 -0.05 0.00 -1.65 0.00 0.00 29.97 28.16 3g4i h ARG 274 CO -0.04 0.70 0.60 0.82 0.56 0.00 0.00 179.97 182.61 3g4i h ILE 275 N 0.79 1.19 -0.53 2.04 2.04 -0.86 0.25 117.51 122.43 3g4i h ILE 275 Ca 0.20 -0.41 0.01 0.00 1.00 0.00 0.00 64.86 65.66 3g4i h ILE 275 Cb 0.14 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.09 3g4i h ILE 275 CO -0.02 0.22 0.35 0.00 0.00 0.00 0.00 178.15 178.69 3g4i h ALA 276 N 1.45 0.68 0.08 1.87 0.00 -0.49 -1.27 119.26 121.59 3g4i h ALA 276 Ca 0.35 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.23 3g4i h ALA 276 Cb -0.05 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.54 3g4i h ALA 276 CO -0.10 0.10 -0.04 0.93 0.00 0.00 0.00 179.25 180.15 3g4i h GLU 277 N 0.71 -0.10 0.00 0.00 5.08 -0.71 0.90 114.58 120.45 3g4i h GLU 277 Ca 0.20 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.51 3g4i h GLU 277 Cb -0.06 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3g4i h GLU 277 CO -0.05 0.16 -0.25 -0.07 -1.00 0.00 0.00 179.01 177.79 3g4i h LEU 278 N -0.36 0.00 -0.73 1.33 3.38 -0.89 -2.80 115.31 115.24 3g4i h LEU 278 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3g4i h LEU 278 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 3g4i h LEU 278 CO 0.02 0.25 -0.06 -1.54 0.09 0.00 0.00 178.44 177.20 3g4i n SER 279 N -3.94 1.19 -1.84 -0.43 3.41 -0.49 -4.90 113.62 106.61 3g4i n SER 279 Ca -0.02 -1.27 -0.07 0.00 -0.26 0.00 0.00 58.87 57.26 3g4i n SER 279 Cb 0.33 0.02 0.03 0.00 -0.26 0.00 0.00 64.21 64.33 3g4i n SER 279 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g4i n GLY 280 N 1.20 0.21 3.70 5.00 0.00 -1.06 -3.54 105.19 110.70 3g4i n GLY 280 Ca 0.18 -0.28 -0.25 0.00 0.00 0.00 0.00 46.02 45.67 3g4i n GLY 280 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3g4i n ASN 281 N -1.40 -4.14 -2.36 1.61 5.15 0.30 -4.96 115.26 109.47 3g4i n ASN 281 Ca -0.08 -0.69 -0.20 0.00 -0.60 0.00 0.00 54.58 53.01 3g4i n ASN 281 Cb 0.55 -4.46 0.02 0.00 -0.53 0.00 0.00 39.78 35.37 3g4i n ASN 281 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3g4i n ARG 282 N -4.62 2.99 -0.28 1.20 5.12 -1.23 -4.91 116.66 114.93 3g4i n ARG 282 Ca -0.09 -4.07 -0.06 0.00 -1.93 0.00 0.00 57.85 51.70 3g4i n ARG 282 Cb 0.59 -2.05 0.06 0.00 -1.16 0.00 0.00 32.46 29.90 3g4i n ARG 282 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3g4i h PRO 283 N 2.46 1.14 -0.52 5.56 0.13 -1.82 -1.38 132.00 137.58 3g4i h PRO 283 Ca 0.22 -0.21 -0.06 0.00 -0.87 0.00 0.00 66.00 65.07 3g4i h PRO 283 Cb 1.27 -0.18 -0.02 0.00 0.13 0.00 0.00 31.00 32.19 3g4i h PRO 283 CO 0.67 0.94 0.09 1.25 -0.23 0.00 0.00 178.00 180.71 3g4i h LEU 284 N 1.10 0.83 0.20 1.56 5.85 -1.91 -0.36 115.31 122.58 3g4i h LEU 284 Ca 0.25 -0.26 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3g4i h LEU 284 Cb 0.23 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3g4i h LEU 284 CO -0.02 0.88 -0.09 0.74 -0.34 0.00 0.00 178.44 179.60 3g4i h THR 285 N 0.75 0.89 -0.13 1.05 2.02 -1.79 -1.26 112.91 114.43 3g4i h THR 285 Ca 0.16 -0.52 0.01 0.00 0.77 0.00 0.00 66.41 66.83 3g4i h THR 285 Cb 0.40 1.20 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 3g4i h THR 285 CO 0.01 0.12 0.05 0.58 0.37 0.00 0.00 175.52 176.65 3g4i h VAL 286 N -0.52 0.98 -0.37 3.16 2.07 -1.25 -0.91 116.25 119.40 3g4i h VAL 286 Ca -0.03 -0.04 -0.06 0.00 0.82 0.00 0.00 66.70 67.39 3g4i h VAL 286 Cb 0.39 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3g4i h VAL 286 CO 0.04 0.02 -0.01 0.40 0.02 0.00 0.00 177.57 178.04 3g4i h ILE 287 N 0.12 1.26 -0.33 4.57 2.04 -1.09 -1.44 117.51 122.64 3g4i h ILE 287 Ca 0.05 -1.02 -0.00 0.00 1.00 0.00 0.00 64.86 64.89 3g4i h ILE 287 Cb 0.02 1.19 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 3g4i h ILE 287 CO -0.05 0.34 0.20 0.24 0.00 0.00 0.00 178.15 178.88 3g4i h MET 288 N 0.48 0.45 -0.35 2.37 2.86 -1.16 -0.94 114.93 118.64 3g4i h MET 288 Ca 0.10 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.74 3g4i h MET 288 Cb 0.49 -0.09 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 3g4i h MET 288 CO 0.02 0.33 0.14 1.25 1.06 0.00 0.00 176.91 179.72 3g4i h HIS 289 N 0.43 0.26 -0.33 -0.22 -0.00 -1.06 0.16 115.15 114.38 3g4i h HIS 289 Ca 0.12 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.51 3g4i h HIS 289 Cb -0.00 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.32 3g4i h HIS 289 CO -0.04 0.12 0.21 1.15 -0.00 0.00 0.00 177.93 179.37 3g4i h THR 290 N 0.31 1.07 -0.43 6.26 2.02 -1.08 -0.95 112.91 120.11 3g4i h THR 290 Ca 0.16 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 67.16 3g4i h THR 290 Cb 0.11 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.09 3g4i h THR 290 CO -0.14 0.08 0.16 0.40 0.37 0.00 0.00 175.52 176.39 3g4i h ILE 291 N 0.44 1.20 -0.54 3.11 2.04 -0.87 0.15 117.51 123.04 3g4i h ILE 291 Ca 0.13 -0.64 0.01 0.00 1.00 0.00 0.00 64.86 65.35 3g4i h ILE 291 Cb -0.04 0.82 -0.03 0.00 -0.74 0.00 0.00 36.82 36.84 3g4i h ILE 291 CO -0.04 0.23 0.35 -0.26 0.00 0.00 0.00 178.15 178.44 3g4i h PHE 292 N 0.55 0.67 -0.32 1.37 -1.00 -0.82 0.23 116.94 117.63 3g4i h PHE 292 Ca 0.14 0.02 -0.02 0.00 2.81 0.00 0.00 57.97 60.92 3g4i h PHE 292 Cb 0.21 -0.22 -0.01 0.00 3.61 0.00 0.00 35.95 39.53 3g4i h PHE 292 CO 0.00 0.42 0.11 1.96 -1.61 0.00 0.00 178.31 179.19 3g4i h GLN 293 N 0.72 0.49 -0.99 1.51 1.08 -0.92 0.23 115.11 117.24 3g4i h GLN 293 Ca 0.20 -0.10 0.03 0.00 -1.45 0.00 0.00 58.65 57.33 3g4i h GLN 293 Cb -0.07 -0.07 -0.06 0.00 -0.05 0.00 0.00 27.48 27.23 3g4i h GLN 293 CO -0.05 0.52 0.65 1.49 -0.95 0.00 0.00 178.83 180.49 3g4i h GLU 294 N 0.36 1.22 -0.13 1.46 4.57 -0.40 -2.16 114.58 119.51 3g4i h GLU 294 Ca 0.10 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.21 3g4i h GLU 294 Cb 0.23 -0.28 0.00 0.00 -0.16 0.00 0.00 28.75 28.54 3g4i h GLU 294 CO -0.00 0.81 0.00 0.54 -1.18 0.00 0.00 179.01 179.17 3g4i n ARG 295 N -4.45 1.91 -2.89 1.92 1.74 0.04 -4.95 116.66 109.99 3g4i n ARG 295 Ca 0.13 -1.35 -0.21 0.00 -0.77 0.00 0.00 57.85 55.65 3g4i n ARG 295 Cb 0.09 -1.45 0.03 0.00 -1.02 0.00 0.00 32.46 30.10 3g4i n ARG 295 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3g4i n ASP 296 N 0.60 -5.96 0.15 0.55 2.03 -0.21 -4.90 116.55 108.80 3g4i n ASP 296 Ca 0.17 -0.23 0.01 0.00 0.52 0.00 0.00 54.79 55.26 3g4i n ASP 296 Cb 0.42 -4.81 0.19 0.00 -0.72 0.00 0.00 41.12 36.20 3g4i n ASP 296 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3g4i h LEU 297 N -1.12 0.00 -0.17 -2.67 3.38 -1.30 -2.30 115.31 111.13 3g4i h LEU 297 Ca -0.51 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.45 3g4i h LEU 297 Cb 1.35 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.10 3g4i h LEU 297 CO 0.55 0.56 0.06 -0.07 0.09 0.00 0.00 178.44 179.63 3g4i h LEU 298 N 0.00 0.24 -0.06 1.67 4.07 -1.87 -2.05 115.31 117.30 3g4i h LEU 298 Ca -0.01 -0.18 -0.03 0.00 0.08 0.00 0.00 57.88 57.75 3g4i h LEU 298 Cb 1.12 -0.06 -0.00 0.00 1.08 0.00 0.00 40.66 42.80 3g4i h LEU 298 CO 0.07 0.35 -0.06 0.11 -1.08 0.00 0.00 178.44 177.83 3g4i h LYS 299 N 0.10 0.15 -0.61 1.13 1.57 -1.86 0.68 116.57 117.75 3g4i h LYS 299 Ca 0.05 -0.08 0.11 0.00 -1.87 0.00 0.00 60.65 58.87 3g4i h LYS 299 Cb 0.20 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 32.42 3g4i h LYS 299 CO -0.00 0.59 0.16 1.15 -0.57 0.00 0.00 179.45 180.78 3g4i h THR 300 N -0.28 0.67 -0.45 -0.16 2.02 -1.46 -2.79 112.91 110.46 3g4i h THR 300 Ca 0.01 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.09 3g4i h THR 300 Cb 0.56 0.34 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 3g4i h THR 300 CO 0.02 0.06 0.00 0.49 0.37 0.00 0.00 175.52 176.45 3g4i n PHE 301 N -5.09 0.98 -3.95 3.16 3.72 -0.77 -4.98 117.46 110.52 3g4i n PHE 301 Ca 0.09 -0.64 -0.28 0.00 -0.05 0.00 0.00 57.45 56.58 3g4i n PHE 301 Cb 0.32 -0.18 -0.00 0.00 -0.94 0.00 0.00 39.48 38.68 3g4i n PHE 301 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3g4i n LYS 302 N 0.53 -3.95 -3.02 -1.08 5.02 0.05 -4.43 118.16 111.28 3g4i n LYS 302 Ca 0.20 0.47 -0.42 0.00 -2.02 0.00 0.00 58.31 56.54 3g4i n LYS 302 Cb 0.72 -4.92 -0.06 0.00 -0.02 0.00 0.00 35.03 30.75 3g4i n LYS 302 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3g4i s ILE 303 N -3.67 4.81 0.26 -0.18 1.01 -0.14 -4.62 121.20 118.67 3g4i s ILE 303 Ca 0.26 0.83 -0.31 0.00 0.00 0.00 0.00 60.65 61.44 3g4i s ILE 303 Cb -0.14 -4.14 -0.11 0.00 0.01 0.00 0.00 42.46 38.08 3g4i s ILE 303 CO 0.87 -0.34 1.60 -2.84 0.00 0.00 0.00 174.94 174.23 3g4i s PRO 304 N 2.91 4.15 0.28 2.79 0.02 -1.26 -4.79 135.00 139.11 3g4i s PRO 304 Ca 0.29 2.53 -0.03 0.00 0.02 0.00 0.00 61.00 63.82 3g4i s PRO 304 Cb -0.14 -3.06 0.40 0.00 0.02 0.00 0.00 34.50 31.72 3g4i s PRO 304 CO 0.15 -0.63 1.91 -0.24 -0.33 0.00 0.00 177.00 177.86 3g4i h VAL 305 N 3.55 1.22 -0.63 3.83 3.04 -1.97 -0.33 116.25 124.97 3g4i h VAL 305 Ca -0.46 -0.54 -0.02 0.00 -1.01 0.00 0.00 66.70 64.67 3g4i h VAL 305 Cb 1.21 0.19 -0.03 0.00 -2.01 0.00 0.00 31.29 30.66 3g4i h VAL 305 CO 0.84 0.25 0.31 -2.24 -1.01 0.00 0.00 177.57 175.71 3g4i h ASP 306 N 1.05 0.83 -0.43 3.17 2.03 -1.98 -0.92 116.42 120.17 3g4i h ASP 306 Ca 0.27 -0.13 -0.04 0.00 -0.73 0.00 0.00 57.03 56.40 3g4i h ASP 306 Cb 0.01 -0.21 -0.02 0.00 -0.83 0.00 0.00 39.33 38.28 3g4i h ASP 306 CO -0.04 0.72 0.11 0.74 -1.03 0.00 0.00 179.24 179.74 3g4i h THR 307 N 0.87 1.23 -0.29 1.15 2.02 -1.61 -0.99 112.91 115.28 3g4i h THR 307 Ca 0.22 -0.78 0.03 0.00 0.77 0.00 0.00 66.41 66.65 3g4i h THR 307 Cb 0.11 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 67.41 3g4i h THR 307 CO -0.03 0.28 0.10 0.25 0.37 0.00 0.00 175.52 176.49 3g4i h LEU 308 N 0.55 0.12 -0.51 2.58 5.85 -0.84 -1.28 115.31 121.78 3g4i h LEU 308 Ca 0.14 0.03 -0.12 0.00 0.84 0.00 0.00 57.88 58.76 3g4i h LEU 308 Cb 0.30 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.33 3g4i h LEU 308 CO -0.00 0.10 -0.15 0.40 -0.34 0.00 0.00 178.44 178.45 3g4i h ILE 309 N 0.23 1.27 -0.47 4.05 1.08 -1.00 -0.98 117.51 121.69 3g4i h ILE 309 Ca 0.13 -1.31 -0.00 0.00 -0.39 0.00 0.00 64.86 63.28 3g4i h ILE 309 Cb 0.09 1.05 -0.02 0.00 -3.07 0.00 0.00 36.82 34.87 3g4i h ILE 309 CO -0.13 0.46 0.28 0.74 -0.69 0.00 0.00 178.15 178.81 3g4i h THR 310 N 0.87 1.15 -0.29 -0.27 2.02 -1.08 -0.45 112.91 114.86 3g4i h THR 310 Ca 0.13 -0.35 -0.02 0.00 0.77 0.00 0.00 66.41 66.94 3g4i h THR 310 Cb 0.73 0.54 -0.01 0.00 -1.74 0.00 0.00 68.15 67.66 3g4i h THR 310 CO 0.06 0.15 0.12 0.22 0.37 0.00 0.00 175.52 176.44 3g4i h TYR 311 N 0.62 0.44 -0.67 3.16 3.20 -1.12 -1.79 116.97 120.81 3g4i h TYR 311 Ca 0.17 -0.03 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 3g4i h TYR 311 Cb 0.01 -0.13 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 3g4i h TYR 311 CO -0.03 0.42 0.23 -0.07 -1.64 0.00 0.00 178.16 177.07 3g4i h LEU 312 N 0.33 0.96 -0.71 2.82 3.38 -0.94 0.29 115.31 121.44 3g4i h LEU 312 Ca 0.10 -0.20 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 3g4i h LEU 312 Cb 0.16 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 3g4i h LEU 312 CO -0.01 0.90 0.24 0.24 0.09 0.00 0.00 178.44 179.91 3g4i h MET 313 N 0.97 1.09 -0.05 1.13 2.86 -1.05 -0.78 114.93 119.10 3g4i h MET 313 Ca 0.22 -0.22 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3g4i h MET 313 Cb 0.27 -0.16 -0.00 0.00 0.06 0.00 0.00 31.60 31.76 3g4i h MET 313 CO -0.01 0.92 0.02 1.15 1.06 0.00 0.00 176.91 180.05 3g4i h THR 314 N 1.04 1.14 -0.03 2.22 2.02 -0.81 0.07 112.91 118.55 3g4i h THR 314 Ca 0.23 -0.41 0.03 0.00 0.77 0.00 0.00 66.41 67.03 3g4i h THR 314 Cb 0.27 1.33 -0.04 0.00 -1.74 0.00 0.00 68.15 67.97 3g4i h THR 314 CO -0.01 0.11 -0.20 0.25 0.37 0.00 0.00 175.52 176.05 3g4i h LEU 315 N -0.08 -0.58 -1.17 2.58 5.85 -0.35 -2.55 115.31 119.00 3g4i h LEU 315 Ca 0.02 0.09 0.05 0.00 0.84 0.00 0.00 57.88 58.88 3g4i h LEU 315 Cb 0.17 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.39 3g4i h LEU 315 CO -0.00 -0.26 0.57 -0.08 -0.34 0.00 0.00 178.44 178.33 3g4i h GLU 316 N -0.30 0.99 0.00 1.25 4.81 -1.09 -1.81 114.58 118.43 3g4i h GLU 316 Ca 0.07 -0.06 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 3g4i h GLU 316 Cb 0.39 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.55 3g4i h GLU 316 CO -0.21 0.66 -0.05 -0.44 -0.73 0.00 0.00 179.01 178.24 3g4i h ASP 317 N 1.02 0.00 -0.21 1.04 3.45 -0.59 -1.93 116.42 119.20 3g4i h ASP 317 Ca 0.37 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.83 3g4i h ASP 317 Cb 0.14 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.91 3g4i h ASP 317 CO -0.13 0.05 0.00 1.41 -1.57 0.00 0.00 179.24 179.01 3g4i n HIS 318 N -3.69 0.26 -3.16 4.55 8.25 -0.69 -4.78 115.22 115.96 3g4i n HIS 318 Ca -0.02 -0.13 -0.39 0.00 -0.26 0.00 0.00 57.72 56.92 3g4i n HIS 318 Cb 0.16 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 3g4i n HIS 318 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3g4i s TYR 319 N -1.74 3.79 -0.18 4.41 1.51 -0.73 -1.04 117.35 123.37 3g4i s TYR 319 Ca 0.34 1.35 -0.27 0.00 -1.01 0.00 0.00 57.07 57.49 3g4i s TYR 319 Cb 0.20 -2.62 -0.01 0.00 -0.11 0.00 0.00 41.96 39.42 3g4i s TYR 319 CO 0.29 0.48 0.91 -1.01 -1.11 0.00 0.00 175.55 175.11 3g4i s HIS 320 N -0.77 3.41 0.26 2.71 3.76 -1.26 -4.79 115.29 118.60 3g4i s HIS 320 Ca 0.32 1.35 0.22 0.00 -0.15 0.00 0.00 55.06 56.80 3g4i s HIS 320 Cb -0.20 -3.10 0.99 0.00 1.11 0.00 0.00 32.58 31.37 3g4i s HIS 320 CO 0.20 -0.31 1.87 0.00 -0.85 0.00 0.00 174.74 175.66 3g4i h ALA 321 N 7.36 1.13 -0.00 -1.40 0.00 -1.94 -2.80 119.26 121.62 3g4i h ALA 321 Ca -0.27 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.41 3g4i h ALA 321 Cb 1.11 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3g4i h ALA 321 CO 0.88 0.32 -0.05 -0.40 0.00 0.00 0.00 179.25 179.99 3g4i n ASP 322 N -3.59 0.37 -4.66 0.00 5.75 -1.26 -4.80 116.55 108.36 3g4i n ASP 322 Ca -0.01 -0.67 -0.37 0.00 -0.01 0.00 0.00 54.79 53.73 3g4i n ASP 322 Cb 0.39 -0.09 -0.09 0.00 -1.03 0.00 0.00 41.12 40.30 3g4i n ASP 322 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3g4i s VAL 323 N -2.34 5.28 0.22 2.12 1.01 -1.06 -4.99 120.40 120.64 3g4i s VAL 323 Ca 0.34 0.42 0.05 0.00 0.00 0.00 0.00 61.98 62.79 3g4i s VAL 323 Cb 0.21 -3.61 -0.07 0.00 0.00 0.00 0.00 36.38 32.91 3g4i s VAL 323 CO 0.44 0.29 1.52 0.00 0.00 0.00 0.00 175.10 177.34 3g4i h ALA 324 N 7.55 0.78 0.00 5.51 0.00 -1.87 -3.39 119.26 127.84 3g4i h ALA 324 Ca -0.37 -0.59 -0.01 0.00 0.00 0.00 0.00 54.91 53.94 3g4i h ALA 324 Cb 1.17 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 3g4i h ALA 324 CO 0.67 0.79 -0.46 0.98 0.00 0.00 0.00 179.25 181.24 3g4i n TYR 325 N -3.80 0.00 -1.47 0.00 9.36 -1.26 -4.77 117.16 115.22 3g4i n TYR 325 Ca -0.02 0.00 -0.40 0.00 3.32 0.00 0.00 57.90 60.80 3g4i n TYR 325 Cb 0.67 -0.20 -0.02 0.00 -0.63 0.00 0.00 39.34 39.16 3g4i n TYR 325 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3g4i n HIS 326 N -3.82 2.87 -4.17 2.98 8.25 -1.26 -4.24 115.22 115.82 3g4i n HIS 326 Ca -0.06 -2.77 -0.08 0.00 -0.26 0.00 0.00 57.72 54.55 3g4i n HIS 326 Cb 0.22 -2.36 -0.02 0.00 1.12 0.00 0.00 29.99 28.96 3g4i n HIS 326 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3g4i n ASN 327 N 5.54 1.64 0.28 0.41 0.23 -1.26 -4.54 115.26 117.56 3g4i n ASN 327 Ca 0.58 -1.62 0.15 0.00 -0.53 0.00 0.00 54.58 53.15 3g4i n ASN 327 Cb 0.33 0.21 0.84 0.00 -2.08 0.00 0.00 39.78 39.08 3g4i n ASN 327 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3g4i h ASN 328 N 0.41 0.00 -0.14 0.53 -1.07 -1.86 -2.08 115.58 111.36 3g4i h ASN 328 Ca -0.10 0.00 -0.21 0.00 0.07 0.00 0.00 56.30 56.06 3g4i h ASN 328 Cb 0.35 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.61 3g4i h ASN 328 CO 0.17 0.06 -0.72 0.40 0.07 0.00 0.00 177.43 177.41 3g4i h ILE 329 N 0.00 1.30 -0.68 6.14 2.04 -1.96 -0.93 117.51 123.41 3g4i h ILE 329 Ca -0.00 -1.94 -0.07 0.00 1.00 0.00 0.00 64.86 63.84 3g4i h ILE 329 Cb 0.18 2.05 -0.03 0.00 -0.74 0.00 0.00 36.82 38.29 3g4i h ILE 329 CO 0.01 0.61 0.14 -0.74 0.00 0.00 0.00 178.15 178.17 3g4i h HIS 330 N 0.43 1.17 0.06 1.37 2.76 -1.65 -0.93 115.15 118.36 3g4i h HIS 330 Ca -0.05 -0.15 -0.00 0.00 -2.20 0.00 0.00 60.37 57.97 3g4i h HIS 330 Cb 1.35 -0.33 0.00 0.00 1.55 0.00 0.00 27.41 29.99 3g4i h HIS 330 CO 0.10 0.96 -0.03 0.00 -1.30 0.00 0.00 177.93 177.66 3g4i h ALA 331 N 1.07 -0.08 -0.91 5.26 0.00 -1.29 -1.02 119.26 122.29 3g4i h ALA 331 Ca 0.21 -0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.23 3g4i h ALA 331 Cb 0.40 0.03 -0.09 0.00 0.00 0.00 0.00 17.79 18.13 3g4i h ALA 331 CO 0.01 -0.54 0.53 0.00 0.00 0.00 0.00 179.25 179.25 3g4i h ALA 332 N 0.85 1.38 -0.26 0.00 0.00 -1.01 -0.99 119.26 119.23 3g4i h ALA 332 Ca -0.01 0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3g4i h ALA 332 Cb 0.07 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 3g4i h ALA 332 CO 0.01 0.07 -0.11 0.22 0.00 0.00 0.00 179.25 179.45 3g4i h ASP 333 N 0.81 0.55 -0.57 0.00 3.58 -0.82 -1.82 116.42 118.15 3g4i h ASP 333 Ca 0.47 -0.40 -0.09 0.00 0.42 0.00 0.00 57.03 57.44 3g4i h ASP 333 Cb 0.55 -0.15 -0.02 0.00 1.72 0.00 0.00 39.33 41.43 3g4i h ASP 333 CO -0.30 0.82 0.02 0.58 -2.88 0.00 0.00 179.24 177.47 3g4i h VAL 334 N 0.27 1.26 -0.12 2.25 2.07 -0.85 0.39 116.25 121.53 3g4i h VAL 334 Ca 0.06 -1.10 0.04 0.00 0.82 0.00 0.00 66.70 66.52 3g4i h VAL 334 Cb 0.60 0.84 -0.05 0.00 -1.52 0.00 0.00 31.29 31.17 3g4i h VAL 334 CO 0.03 0.40 -0.15 0.58 0.02 0.00 0.00 177.57 178.45 3g4i h VAL 335 N 0.89 0.59 -0.24 2.57 2.07 -1.16 -0.89 116.25 120.08 3g4i h VAL 335 Ca 0.16 0.00 -0.15 0.00 0.82 0.00 0.00 66.70 67.54 3g4i h VAL 335 Cb 0.52 0.59 -0.01 0.00 -1.52 0.00 0.00 31.29 30.88 3g4i h VAL 335 CO 0.03 0.00 -0.46 -0.61 0.02 0.00 0.00 177.57 176.55 3g4i h GLN 336 N -0.19 0.61 -0.47 1.57 -0.00 -1.02 -0.68 115.11 114.94 3g4i h GLN 336 Ca 0.09 -0.34 -0.06 0.00 -0.00 0.00 0.00 58.65 58.34 3g4i h GLN 336 Cb 0.32 0.02 -0.02 0.00 0.00 0.00 0.00 27.48 27.81 3g4i h GLN 336 CO -0.24 0.94 0.07 0.77 0.00 0.00 0.00 178.83 180.37 3g4i h SER 337 N 0.49 0.75 -0.91 -0.69 0.02 -0.85 -1.83 113.55 110.53 3g4i h SER 337 Ca 0.03 -0.27 0.00 0.00 -0.84 0.00 0.00 61.79 60.71 3g4i h SER 337 Cb 0.99 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 63.29 3g4i h SER 337 CO 0.09 0.83 0.57 0.74 -1.14 0.00 0.00 176.83 177.93 3g4i h THR 338 N 0.65 1.24 -0.62 -2.27 2.02 -0.92 -0.91 112.91 112.10 3g4i h THR 338 Ca 0.14 -0.49 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 3g4i h THR 338 Cb 0.40 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 66.72 3g4i h THR 338 CO 0.01 0.25 0.31 -0.74 0.37 0.00 0.00 175.52 175.72 3g4i h HIS 339 N 1.24 0.85 -0.05 3.16 -0.00 -0.81 -0.01 115.15 119.53 3g4i h HIS 339 Ca 0.33 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.64 3g4i h HIS 339 Cb -0.10 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 27.04 3g4i h HIS 339 CO 0.00 0.61 -0.13 0.28 -0.00 0.00 0.00 177.93 178.70 3g4i h VAL 340 N 0.86 1.44 -0.87 5.26 2.07 -0.92 -3.21 116.25 120.89 3g4i h VAL 340 Ca 0.22 -1.49 0.04 0.00 0.82 0.00 0.00 66.70 66.28 3g4i h VAL 340 Cb 0.07 2.29 -0.05 0.00 -1.52 0.00 0.00 31.29 32.08 3g4i h VAL 340 CO -0.03 0.41 0.57 -0.07 0.02 0.00 0.00 177.57 178.47 3g4i h LEU 341 N -0.34 0.93 -2.24 2.57 3.38 -0.93 -0.47 115.31 118.21 3g4i h LEU 341 Ca -0.00 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.97 3g4i h LEU 341 Cb 0.73 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.27 3g4i h LEU 341 CO 0.03 0.64 0.05 -0.07 0.09 0.00 0.00 178.44 179.18 3g4i h LEU 342 N 1.08 0.00 -1.81 1.67 3.38 -1.04 -2.30 115.31 116.28 3g4i h LEU 342 Ca 0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.31 3g4i h LEU 342 Cb 0.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.78 3g4i h LEU 342 CO -0.10 0.00 0.00 -1.20 0.09 0.00 0.00 178.44 177.23 3g4i n SER 343 N -4.13 2.67 -4.75 -0.43 7.64 -0.19 -4.80 113.62 109.64 3g4i n SER 343 Ca -0.02 -2.12 -0.41 0.00 1.01 0.00 0.00 58.87 57.34 3g4i n SER 343 Cb 0.15 -0.36 -0.03 0.00 -1.01 0.00 0.00 64.21 62.96 3g4i n SER 343 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3g4i s THR 344 N -1.54 3.02 0.30 0.44 -1.32 -0.87 -4.91 115.64 110.76 3g4i s THR 344 Ca 0.30 0.89 0.05 0.00 -1.21 0.00 0.00 61.69 61.73 3g4i s THR 344 Cb 0.17 -3.57 0.30 0.00 -1.51 0.00 0.00 72.50 67.89 3g4i s THR 344 CO 0.18 0.16 1.69 -0.65 -2.21 0.00 0.00 174.62 173.79 3g4i h PRO 345 N 4.72 0.37 0.00 7.08 0.11 -1.92 0.16 132.00 142.52 3g4i h PRO 345 Ca -0.46 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3g4i h PRO 345 Cb 1.22 -0.08 0.00 0.00 0.11 0.00 0.00 31.00 32.24 3g4i h PRO 345 CO 0.74 0.24 0.00 0.00 -0.21 0.00 0.00 178.00 178.77 3g4i n ALA 346 N -2.48 1.08 -0.05 -0.75 0.00 -1.26 -1.63 120.51 115.41 3g4i n ALA 346 Ca 0.24 0.12 0.06 0.00 0.00 0.00 0.00 53.44 53.86 3g4i n ALA 346 Cb 0.71 -1.22 0.15 0.00 0.00 0.00 0.00 19.45 19.09 3g4i n ALA 346 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3g4i n LEU 347 N -2.00 2.83 -4.70 0.00 4.77 0.04 -1.22 117.00 116.72 3g4i n LEU 347 Ca -0.01 -1.80 -0.42 0.00 -0.03 0.00 0.00 56.01 53.75 3g4i n LEU 347 Cb 0.04 -0.21 -0.03 0.00 -2.33 0.00 0.00 43.42 40.89 3g4i n LEU 347 CO 0.07 0.68 1.42 1.21 -1.33 0.00 0.00 177.39 179.45 3g4i n GLU 348 N 0.65 2.77 -1.01 3.23 2.13 -0.65 -1.31 120.64 126.44 3g4i n GLU 348 Ca 0.12 1.00 -0.00 0.00 0.66 0.00 0.00 57.16 58.94 3g4i n GLU 348 Cb 0.42 -2.87 -0.00 0.00 0.27 0.00 0.00 31.44 29.25 3g4i n GLU 348 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3g4i n ALA 349 N 4.85 -0.01 -0.00 4.31 0.00 -1.26 -4.88 120.51 123.52 3g4i n ALA 349 Ca 0.17 0.01 -0.11 0.00 0.00 0.00 0.00 53.44 53.51 3g4i n ALA 349 Cb 0.36 -1.33 -0.09 0.00 0.00 0.00 0.00 19.45 18.39 3g4i n ALA 349 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g4i h VAL 350 N 0.00 1.08 -3.24 0.00 2.07 -1.56 -3.46 116.25 111.15 3g4i h VAL 350 Ca -0.01 -1.49 -0.57 0.00 0.82 0.00 0.00 66.70 65.45 3g4i h VAL 350 Cb 0.89 1.92 -0.04 0.00 -1.52 0.00 0.00 31.29 32.53 3g4i h VAL 350 CO 0.01 0.32 -0.16 -0.36 0.02 0.00 0.00 177.57 177.40 3g4i s PHE 351 N -2.89 3.58 0.84 1.57 0.08 -1.26 -5.05 117.98 114.85 3g4i s PHE 351 Ca -0.13 0.93 -0.12 0.00 0.12 0.00 0.00 56.93 57.73 3g4i s PHE 351 Cb -0.01 -2.27 0.09 0.00 -0.57 0.00 0.00 43.02 40.27 3g4i s PHE 351 CO 0.50 0.46 1.10 0.95 -0.10 0.00 0.00 175.22 178.13 3g4i s THR 352 N -1.46 2.82 0.32 0.64 -4.23 -1.26 -4.84 115.64 107.62 3g4i s THR 352 Ca 0.36 0.27 0.01 0.00 -1.18 0.00 0.00 61.69 61.15 3g4i s THR 352 Cb -0.14 -2.96 0.21 0.00 1.34 0.00 0.00 72.50 70.95 3g4i s THR 352 CO 0.19 -0.35 1.92 0.44 -0.54 0.00 0.00 174.62 176.28 3g4i h ASP 353 N -1.25 0.74 -0.56 3.99 3.32 -1.98 -0.61 116.42 120.07 3g4i h ASP 353 Ca -0.48 -0.07 -0.08 0.00 0.02 0.00 0.00 57.03 56.41 3g4i h ASP 353 Cb 1.28 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 3g4i h ASP 353 CO 0.59 0.64 0.05 0.25 -1.72 0.00 0.00 179.24 179.04 3g4i h LEU 354 N 0.83 0.95 -0.49 1.55 5.85 -1.98 0.13 115.31 122.14 3g4i h LEU 354 Ca 0.20 -0.23 -0.14 0.00 0.84 0.00 0.00 57.88 58.55 3g4i h LEU 354 Cb 0.09 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 40.86 3g4i h LEU 354 CO -0.03 0.97 -0.25 -0.33 -0.34 0.00 0.00 178.44 178.47 3g4i h GLU 355 N 0.92 0.97 -0.16 1.25 5.08 -1.80 -1.01 114.58 119.82 3g4i h GLU 355 Ca 0.18 -0.43 -0.00 0.00 -1.00 0.00 0.00 59.36 58.10 3g4i h GLU 355 Cb 0.46 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 3g4i h GLU 355 CO 0.02 1.10 0.09 0.82 -1.00 0.00 0.00 179.01 180.04 3g4i h ILE 356 N 0.82 1.09 -0.75 3.13 2.04 -0.91 -1.38 117.51 121.55 3g4i h ILE 356 Ca 0.10 -0.23 0.08 0.00 1.00 0.00 0.00 64.86 65.81 3g4i h ILE 356 Cb 0.83 0.95 -0.06 0.00 -0.74 0.00 0.00 36.82 37.79 3g4i h ILE 356 CO 0.07 0.08 0.42 0.25 0.00 0.00 0.00 178.15 178.97 3g4i h LEU 357 N 0.17 0.60 -0.63 1.44 5.85 -0.62 -1.63 115.31 120.50 3g4i h LEU 357 Ca 0.06 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.75 3g4i h LEU 357 Cb 0.05 -0.08 -0.03 0.00 0.37 0.00 0.00 40.66 40.98 3g4i h LEU 357 CO -0.01 0.37 0.14 0.00 -0.34 0.00 0.00 178.44 178.60 3g4i h ALA 358 N 1.40 0.83 -0.43 1.25 0.00 -0.90 0.38 119.26 121.79 3g4i h ALA 358 Ca 0.35 -0.24 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 3g4i h ALA 358 Cb 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 3g4i h ALA 358 CO -0.22 0.55 0.04 0.00 0.00 0.00 0.00 179.25 179.62 3g4i h ALA 359 N 1.04 0.58 -0.12 0.00 0.00 -0.84 0.52 119.26 120.44 3g4i h ALA 359 Ca 0.20 -0.24 -0.16 0.00 0.00 0.00 0.00 54.91 54.71 3g4i h ALA 359 Cb 0.37 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.01 3g4i h ALA 359 CO 0.00 0.33 -0.53 0.82 0.00 0.00 0.00 179.25 179.87 3g4i h ILE 360 N 0.58 1.35 -0.07 0.00 2.04 -1.17 -1.81 117.51 118.43 3g4i h ILE 360 Ca 0.13 -1.82 0.00 0.00 1.00 0.00 0.00 64.86 64.17 3g4i h ILE 360 Cb 0.43 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 3g4i h ILE 360 CO 0.01 0.55 0.03 0.15 0.00 0.00 0.00 178.15 178.90 3g4i h PHE 361 N 0.21 0.06 -0.51 1.37 3.57 -0.91 -1.28 116.94 119.45 3g4i h PHE 361 Ca -0.03 0.00 0.08 0.00 3.53 0.00 0.00 57.97 61.55 3g4i h PHE 361 Cb 1.17 -0.02 -0.06 0.00 2.79 0.00 0.00 35.95 39.83 3g4i h PHE 361 CO 0.11 0.03 0.17 0.00 -2.23 0.00 0.00 178.31 176.39 3g4i h ALA 362 N 1.03 0.62 -0.78 2.41 0.00 -0.91 -2.03 119.26 119.60 3g4i h ALA 362 Ca 0.03 0.08 0.06 0.00 0.00 0.00 0.00 54.91 55.07 3g4i h ALA 362 Cb 0.00 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 17.80 3g4i h ALA 362 CO -0.02 -0.24 0.47 0.77 0.00 0.00 0.00 179.25 180.23 3g4i h SER 363 N 0.33 0.73 -0.39 0.00 0.02 -1.07 -1.31 113.55 111.87 3g4i h SER 363 Ca 0.25 0.02 -0.08 0.00 -0.84 0.00 0.00 61.79 61.14 3g4i h SER 363 Cb 0.29 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.68 3g4i h SER 363 CO -0.27 0.47 -0.02 0.00 -1.14 0.00 0.00 176.83 175.87 3g4i h ALA 364 N 1.37 1.08 -0.01 3.77 0.00 -0.55 -3.15 119.26 121.78 3g4i h ALA 364 Ca 0.34 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3g4i h ALA 364 Cb 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3g4i h ALA 364 CO -0.17 0.58 -0.47 0.44 0.00 0.00 0.00 179.25 179.63 3g4i n ILE 365 N -4.20 0.00 0.30 0.00 -5.35 -0.88 -4.68 119.36 104.55 3g4i n ILE 365 Ca 0.02 -0.11 0.17 0.00 -0.27 0.00 0.00 62.75 62.56 3g4i n ILE 365 Cb 0.31 0.65 0.82 0.00 -1.74 0.00 0.00 39.64 39.68 3g4i n ILE 365 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 3g4i h HIS 366 N 1.07 0.00 0.00 4.28 2.07 -1.19 -1.48 115.15 119.90 3g4i h HIS 366 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3g4i h HIS 366 Cb 0.56 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.54 3g4i h HIS 366 CO 0.00 0.00 -0.15 -0.25 -3.07 0.00 0.00 177.93 174.46 3g4i n ASP 367 N -2.81 1.79 -4.77 3.10 8.00 -1.26 -4.87 116.55 115.72 3g4i n ASP 367 Ca -0.01 -2.88 -0.40 0.00 0.71 0.00 0.00 54.79 52.21 3g4i n ASP 367 Cb 0.17 -0.38 -0.01 0.00 -0.02 0.00 0.00 41.12 40.88 3g4i n ASP 367 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3g4i s VAL 368 N -2.23 2.52 -1.52 2.53 0.11 -0.56 -2.43 120.40 118.82 3g4i s VAL 368 Ca 0.25 0.50 0.00 0.00 -2.93 0.00 0.00 61.98 59.81 3g4i s VAL 368 Cb 0.23 -3.31 0.00 0.00 -1.53 0.00 0.00 36.38 31.76 3g4i s VAL 368 CO 0.02 0.11 0.00 -0.67 -3.33 0.00 0.00 175.10 171.22 3g4i n ASP 369 N 0.51 -4.96 -4.70 3.54 2.03 -0.21 -4.35 116.55 108.41 3g4i n ASP 369 Ca 0.01 0.10 -0.42 0.00 0.52 0.00 0.00 54.79 55.00 3g4i n ASP 369 Cb 0.42 -4.03 -0.03 0.00 -0.72 0.00 0.00 41.12 36.76 3g4i n ASP 369 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3g4i s HIS 370 N -2.78 2.86 -1.92 -0.67 2.46 -1.02 -4.91 115.29 109.32 3g4i s HIS 370 Ca 0.00 0.73 0.31 0.00 0.47 0.00 0.00 55.06 56.57 3g4i s HIS 370 Cb 0.00 -3.75 1.68 0.00 -0.13 0.00 0.00 32.58 30.38 3g4i s HIS 370 CO 0.00 -2.80 2.11 -0.35 -2.47 0.00 0.00 174.74 171.23 3g4i n PRO 371 N 5.00 0.94 -0.96 2.88 -0.04 -1.26 -4.57 135.00 136.99 3g4i n PRO 371 Ca 0.13 -0.13 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 3g4i n PRO 371 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 3g4i n PRO 371 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g4i n GLY 372 N 1.10 0.47 3.24 0.55 0.00 -1.26 -5.00 105.19 104.29 3g4i n GLY 372 Ca 0.21 -0.48 -0.16 0.00 0.00 0.00 0.00 46.02 45.59 3g4i n GLY 372 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g4i s VAL 373 N -2.00 1.24 0.73 1.61 -7.23 -1.26 -4.70 120.40 108.79 3g4i s VAL 373 Ca 0.00 -1.84 -0.11 0.00 -1.81 0.00 0.00 61.98 58.21 3g4i s VAL 373 Cb 0.00 -1.63 0.03 0.00 0.56 0.00 0.00 36.38 35.34 3g4i s VAL 373 CO 0.00 -0.56 1.08 -0.94 -0.31 0.00 0.00 175.10 174.38 3g4i s SER 374 N -2.74 4.85 0.22 4.85 1.04 -1.26 -4.90 113.70 115.77 3g4i s SER 374 Ca 0.12 1.80 -0.10 0.00 0.48 0.00 0.00 55.95 58.24 3g4i s SER 374 Cb -0.02 -2.52 0.32 0.00 0.10 0.00 0.00 66.02 63.90 3g4i s SER 374 CO 0.02 -1.80 1.66 0.78 0.98 0.00 0.00 173.24 174.88 3g4i h ASN 375 N -0.80 -0.25 -0.80 7.02 2.35 -2.01 -2.34 115.58 118.75 3g4i h ASN 375 Ca -0.44 0.15 0.04 0.00 -0.55 0.00 0.00 56.30 55.51 3g4i h ASN 375 Cb 1.23 0.27 -0.05 0.00 0.05 0.00 0.00 38.32 39.82 3g4i h ASN 375 CO 0.53 -0.11 0.53 -0.61 -1.65 0.00 0.00 177.43 176.12 3g4i h GLN 376 N 0.13 0.93 -0.11 0.81 5.75 -1.97 0.64 115.11 121.29 3g4i h GLN 376 Ca 0.33 -0.06 -0.01 0.00 -0.15 0.00 0.00 58.65 58.77 3g4i h GLN 376 Cb 0.55 -0.21 -0.00 0.00 1.07 0.00 0.00 27.48 28.88 3g4i h GLN 376 CO -0.53 0.61 0.04 0.35 -2.65 0.00 0.00 178.83 176.65 3g4i h PHE 377 N 0.95 0.17 -0.76 3.99 3.04 -1.81 0.95 116.94 123.48 3g4i h PHE 377 Ca 0.33 -0.01 0.01 0.00 3.98 0.00 0.00 57.97 62.27 3g4i h PHE 377 Cb 0.09 -0.05 -0.04 0.00 2.56 0.00 0.00 35.95 38.51 3g4i h PHE 377 CO -0.00 0.28 0.50 -0.07 -2.02 0.00 0.00 178.31 177.00 3g4i h LEU 378 N 0.02 0.87 0.11 0.59 3.38 -0.97 -2.24 115.31 117.07 3g4i h LEU 378 Ca 0.04 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3g4i h LEU 378 Cb 0.18 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.72 3g4i h LEU 378 CO -0.00 0.63 -0.05 0.40 0.09 0.00 0.00 178.44 179.50 3g4i h ILE 379 N 1.03 1.09 -0.81 1.22 2.04 -0.56 -1.92 117.51 119.60 3g4i h ILE 379 Ca 0.28 -0.82 0.06 0.00 1.00 0.00 0.00 64.86 65.38 3g4i h ILE 379 Cb -0.11 1.60 -0.05 0.00 -0.74 0.00 0.00 36.82 37.52 3g4i h ILE 379 CO -0.06 0.20 0.53 0.78 0.00 0.00 0.00 178.15 179.59 3g4i h ASN 380 N -0.53 0.79 0.32 1.72 2.35 -0.58 -2.10 115.58 117.56 3g4i h ASN 380 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3g4i h ASN 380 Cb 0.43 -0.17 0.00 0.00 0.05 0.00 0.00 38.32 38.63 3g4i h ASN 380 CO 0.02 0.52 -0.02 0.35 -1.65 0.00 0.00 177.43 176.65 3g4i n THR 381 N -4.48 0.00 -3.44 2.81 -2.24 -0.86 -4.93 114.28 101.15 3g4i n THR 381 Ca 0.12 -0.02 -0.20 0.00 -2.27 0.00 0.00 64.05 61.68 3g4i n THR 381 Cb 0.19 -0.40 0.07 0.00 -2.10 0.00 0.00 70.33 68.09 3g4i n THR 381 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3g4i n ASN 382 N -1.09 -5.24 -4.74 3.42 3.02 -0.79 -4.96 115.26 104.88 3g4i n ASN 382 Ca 0.18 -0.49 -0.37 0.00 -0.03 0.00 0.00 54.58 53.86 3g4i n ASN 382 Cb 0.21 -4.55 0.05 0.00 -0.61 0.00 0.00 39.78 34.88 3g4i n ASN 382 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3g4i s SER 383 N -3.44 4.99 0.29 6.41 1.04 -0.73 -4.83 113.70 117.44 3g4i s SER 383 Ca 0.43 2.63 0.04 0.00 0.48 0.00 0.00 55.95 59.54 3g4i s SER 383 Cb -0.19 -2.62 0.69 0.00 0.10 0.00 0.00 66.02 64.00 3g4i s SER 383 CO 0.65 -1.75 1.77 -0.08 0.98 0.00 0.00 173.24 174.82 3g4i h GLU 384 N 0.99 0.72 -0.44 4.02 4.81 -1.93 -1.05 114.58 121.70 3g4i h GLU 384 Ca -0.51 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 58.67 3g4i h GLU 384 Cb 1.31 -0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.51 3g4i h GLU 384 CO 0.55 0.48 0.24 -0.07 -0.73 0.00 0.00 179.01 179.48 3g4i h LEU 385 N 0.75 0.56 -0.93 1.64 3.38 -1.93 -0.38 115.31 118.39 3g4i h LEU 385 Ca 0.55 -0.10 -0.06 0.00 0.09 0.00 0.00 57.88 58.36 3g4i h LEU 385 Cb 0.83 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 3g4i h LEU 385 CO -0.38 0.50 0.09 0.00 0.09 0.00 0.00 178.44 178.74 3g4i h ALA 386 N 1.09 1.12 -0.54 1.53 0.00 -1.61 -1.98 119.26 118.87 3g4i h ALA 386 Ca 0.15 -0.24 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3g4i h ALA 386 Cb 0.07 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 3g4i h ALA 386 CO -0.02 0.58 -0.08 -0.07 0.00 0.00 0.00 179.25 179.66 3g4i h LEU 387 N 0.83 0.98 -0.48 0.00 3.38 -0.97 -0.17 115.31 118.87 3g4i h LEU 387 Ca 0.17 -0.31 -0.04 0.00 0.09 0.00 0.00 57.88 57.80 3g4i h LEU 387 Cb 0.37 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.83 3g4i h LEU 387 CO 0.01 1.08 0.14 -0.03 0.09 0.00 0.00 178.44 179.73 3g4i h MET 388 N 0.89 0.76 -0.68 1.13 4.05 -0.80 -3.26 114.93 117.02 3g4i h MET 388 Ca 0.15 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.40 3g4i h MET 388 Cb 0.62 -0.11 0.00 0.00 -0.80 0.00 0.00 31.60 31.32 3g4i h MET 388 CO 0.04 0.72 0.00 0.66 0.23 0.00 0.00 176.91 178.56 3g4i n TYR 389 N -4.50 1.40 -3.79 1.39 4.02 -0.77 -4.96 117.16 109.95 3g4i n TYR 389 Ca 0.01 -0.59 -0.27 0.00 -0.01 0.00 0.00 57.90 57.04 3g4i n TYR 389 Cb 0.20 -0.20 0.04 0.00 -0.02 0.00 0.00 39.34 39.37 3g4i n TYR 389 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3g4i n ASN 390 N 1.27 -4.79 -1.10 7.72 3.02 -0.16 -2.08 115.26 119.13 3g4i n ASN 390 Ca 0.26 -0.71 -0.13 0.00 -0.03 0.00 0.00 54.58 53.97 3g4i n ASN 390 Cb 0.84 -4.27 -0.06 0.00 -0.61 0.00 0.00 39.78 35.68 3g4i n ASN 390 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3g4i n ASP 391 N -2.92 -4.97 -4.08 6.41 8.00 -0.70 -4.92 116.55 113.38 3g4i n ASP 391 Ca -0.01 0.33 -0.32 0.00 0.71 0.00 0.00 54.79 55.49 3g4i n ASP 391 Cb 0.56 -4.00 -0.16 0.00 -0.02 0.00 0.00 41.12 37.50 3g4i n ASP 391 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3g4i s SER 392 N -2.33 3.70 -1.48 -2.24 0.01 -0.88 -4.67 113.70 105.80 3g4i s SER 392 Ca 0.00 -0.99 -0.03 0.00 1.31 0.00 0.00 55.95 56.24 3g4i s SER 392 Cb 0.00 -1.46 0.00 0.00 0.21 0.00 0.00 66.02 64.77 3g4i s SER 392 CO 0.00 -0.10 0.17 -1.20 0.41 0.00 0.00 173.24 172.52 3g4i n SER 393 N 4.56 0.12 0.30 2.44 7.64 -1.26 -4.83 113.62 122.59 3g4i n SER 393 Ca -0.17 -1.21 -0.17 0.00 1.01 0.00 0.00 58.87 58.33 3g4i n SER 393 Cb 0.46 -1.99 -0.09 0.00 -1.01 0.00 0.00 64.21 61.58 3g4i n SER 393 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3g4i h VAL 394 N -1.87 0.14 -0.80 0.44 2.07 -1.87 -0.68 116.25 113.67 3g4i h VAL 394 Ca -0.66 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 66.83 3g4i h VAL 394 Cb 1.39 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.26 3g4i h VAL 394 CO 0.67 0.00 0.39 -0.07 0.02 0.00 0.00 177.57 178.58 3g4i h LEU 395 N -0.93 1.03 -0.49 2.57 3.38 -1.95 -2.44 115.31 116.49 3g4i h LEU 395 Ca -0.06 -0.13 -0.14 0.00 0.09 0.00 0.00 57.88 57.64 3g4i h LEU 395 Cb 0.80 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.27 3g4i h LEU 395 CO -0.02 0.87 -0.27 -0.33 0.09 0.00 0.00 178.44 178.79 3g4i h GLU 396 N 1.12 0.96 -0.72 1.13 3.07 -1.83 0.13 114.58 118.44 3g4i h GLU 396 Ca 0.27 -0.43 -0.01 0.00 -0.50 0.00 0.00 59.36 58.69 3g4i h GLU 396 Cb 0.11 -0.02 -0.03 0.00 -0.84 0.00 0.00 28.75 27.97 3g4i h GLU 396 CO -0.04 1.10 0.41 -0.91 -1.40 0.00 0.00 179.01 178.17 3g4i h ASN 397 N 0.81 0.88 -0.46 1.42 2.35 -1.09 -2.56 115.58 116.93 3g4i h ASN 397 Ca 0.09 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.70 3g4i h ASN 397 Cb 0.85 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.98 3g4i h ASN 397 CO 0.07 0.70 0.04 -0.74 -1.65 0.00 0.00 177.43 175.86 3g4i h HIS 398 N 0.98 0.83 -0.51 1.19 2.76 -0.87 -1.30 115.15 118.24 3g4i h HIS 398 Ca 0.25 -0.13 0.03 0.00 -2.20 0.00 0.00 60.37 58.32 3g4i h HIS 398 Cb 0.01 -0.22 -0.04 0.00 1.55 0.00 0.00 27.41 28.71 3g4i h HIS 398 CO -0.01 0.80 0.30 0.45 -1.30 0.00 0.00 177.93 178.17 3g4i h HIS 399 N 0.63 0.56 -0.07 5.26 3.86 -0.67 -0.00 115.15 124.72 3g4i h HIS 399 Ca 0.13 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3g4i h HIS 399 Cb 0.43 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.72 3g4i h HIS 399 CO 0.03 0.31 0.04 -0.07 0.86 0.00 0.00 177.93 179.11 3g4i h LEU 400 N 0.59 0.08 -0.52 2.43 3.38 -1.35 -0.32 115.31 119.60 3g4i h LEU 400 Ca 0.21 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3g4i h LEU 400 Cb 0.04 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3g4i h LEU 400 CO -0.10 0.08 0.33 0.00 0.09 0.00 0.00 178.44 178.83 3g4i h ALA 401 N 1.01 0.66 -0.05 1.53 0.00 -0.77 -1.03 119.26 120.61 3g4i h ALA 401 Ca 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 3g4i h ALA 401 Cb 0.01 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.59 3g4i h ALA 401 CO -0.00 0.13 0.01 0.28 0.00 0.00 0.00 179.25 179.66 3g4i h VAL 402 N 0.70 1.21 -0.78 0.00 2.07 -1.00 -0.37 116.25 118.08 3g4i h VAL 402 Ca 0.19 -0.63 0.18 0.00 0.82 0.00 0.00 66.70 67.26 3g4i h VAL 402 Cb -0.05 1.54 -0.13 0.00 -1.52 0.00 0.00 31.29 31.13 3g4i h VAL 402 CO -0.04 0.17 0.08 1.23 0.02 0.00 0.00 177.57 179.04 3g4i h GLY 403 N -0.16 0.98 0.83 2.17 0.00 -0.67 -1.72 103.07 104.50 3g4i h GLY 403 Ca 0.02 0.06 -0.16 0.00 0.00 0.00 0.00 47.33 47.24 3g4i h GLY 403 CO 0.00 -0.29 -0.60 0.74 0.00 0.00 0.00 176.54 176.39 3g4i h PHE 404 N 0.15 0.65 -0.80 5.60 0.04 -1.14 -3.31 116.94 118.13 3g4i h PHE 404 Ca 0.44 -0.34 0.05 0.00 2.80 0.00 0.00 57.97 60.92 3g4i h PHE 404 Cb 0.81 -0.08 -0.05 0.00 2.20 0.00 0.00 35.95 38.83 3g4i h PHE 404 CO -0.37 1.15 0.53 0.87 -0.60 0.00 0.00 178.31 179.89 3g4i h LYS 405 N -0.03 0.91 0.00 1.51 1.57 -0.73 -2.14 116.57 117.66 3g4i h LYS 405 Ca -0.07 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.66 3g4i h LYS 405 Cb 1.30 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.40 3g4i h LYS 405 CO 0.12 0.60 0.00 -0.07 -0.57 0.00 0.00 179.45 179.53 3g4i h LEU 406 N 0.93 0.00 -2.40 2.94 3.38 -1.41 -0.57 115.31 118.18 3g4i h LEU 406 Ca 0.33 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 3g4i h LEU 406 Cb 0.14 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 3g4i h LEU 406 CO -0.11 0.00 -0.03 -0.07 0.09 0.00 0.00 178.44 178.32 3g4i h LEU 407 N 0.00 0.00 -0.17 1.67 3.38 -1.53 -2.59 115.31 116.07 3g4i h LEU 407 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g4i h LEU 407 Cb 0.17 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.92 3g4i h LEU 407 CO 0.00 0.03 -0.20 0.00 0.09 0.00 0.00 178.44 178.37 3g4i n GLN 408 N -3.50 0.43 -1.37 1.13 6.02 -0.22 -2.40 117.38 117.48 3g4i n GLN 408 Ca -0.02 -0.17 -0.29 0.00 -0.01 0.00 0.00 57.00 56.50 3g4i n GLN 408 Cb 0.14 -1.50 0.15 0.00 1.02 0.00 0.00 30.24 30.05 3g4i n GLN 408 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3g4i s GLU 409 N -2.69 1.00 0.08 -1.09 2.02 -0.98 -4.89 118.70 112.16 3g4i s GLU 409 Ca 0.22 0.47 -0.31 0.00 0.02 0.00 0.00 54.97 55.37 3g4i s GLU 409 Cb 0.19 -1.81 -0.09 0.00 0.10 0.00 0.00 34.13 32.53 3g4i s GLU 409 CO 0.54 -2.33 1.69 -2.00 0.02 0.00 0.00 175.26 173.18 3g4i s GLU 410 N -5.11 4.18 -1.41 1.61 2.56 -1.26 -2.21 118.70 117.06 3g4i s GLU 410 Ca 0.64 2.39 -0.08 0.00 0.00 0.00 0.00 54.97 57.92 3g4i s GLU 410 Cb -0.16 -3.60 0.04 0.00 2.00 0.00 0.00 34.13 32.40 3g4i s GLU 410 CO 0.55 -0.76 0.94 -1.71 -0.56 0.00 0.00 175.26 173.72 3g4i n ASN 411 N 5.64 -3.78 -0.09 -1.70 5.15 -1.26 -4.92 115.26 114.29 3g4i n ASN 411 Ca 0.16 -0.74 0.02 0.00 -0.60 0.00 0.00 54.58 53.43 3g4i n ASN 411 Cb 0.40 -4.24 -0.00 0.00 -0.53 0.00 0.00 39.78 35.41 3g4i n ASN 411 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3g4i s ASP 413 N -0.86 6.61 0.32 0.00 2.15 -1.01 -4.56 116.67 119.32 3g4i s ASP 413 Ca 0.03 -1.85 0.25 0.00 0.43 0.00 0.00 52.55 51.42 3g4i s ASP 413 Cb 0.03 -2.49 1.10 0.00 -0.30 0.00 0.00 42.92 41.26 3g4i s ASP 413 CO 0.11 -1.26 1.76 0.16 -0.17 0.00 0.00 175.17 175.77 3g4i h ILE 414 N 6.20 0.00 -0.61 4.11 3.07 -1.86 -2.59 117.51 125.83 3g4i h ILE 414 Ca 0.21 -0.23 0.00 0.00 1.55 0.00 0.00 64.86 66.39 3g4i h ILE 414 Cb 1.00 0.97 0.00 0.00 -0.27 0.00 0.00 36.82 38.52 3g4i h ILE 414 CO 1.29 0.00 0.00 0.49 -1.05 0.00 0.00 178.15 178.88 3g4i n PHE 415 N -2.38 1.53 0.21 0.16 3.72 -1.26 -4.61 117.46 114.83 3g4i n PHE 415 Ca 0.01 -0.64 0.15 0.00 -0.05 0.00 0.00 57.45 56.92 3g4i n PHE 415 Cb 0.21 -0.29 0.79 0.00 -0.94 0.00 0.00 39.48 39.25 3g4i n PHE 415 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 3g4i h GLN 416 N 3.91 0.00 -0.37 -1.08 3.07 -1.82 -2.45 115.11 116.37 3g4i h GLN 416 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3g4i h GLN 416 Cb 1.52 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.08 3g4i h GLN 416 CO 0.27 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.28 3g4i n ASN 417 N -4.05 3.03 -4.78 0.06 3.02 -1.26 -4.95 115.26 106.33 3g4i n ASN 417 Ca 0.00 -1.91 -0.34 0.00 -0.03 0.00 0.00 54.58 52.30 3g4i n ASN 417 Cb 0.25 -0.24 -0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3g4i n ASN 417 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3g4i s LEU 418 N -1.07 3.73 0.80 3.41 1.02 -0.92 -4.87 118.68 120.78 3g4i s LEU 418 Ca 0.28 2.08 -0.11 0.00 0.02 0.00 0.00 54.13 56.40 3g4i s LEU 418 Cb 0.16 -4.57 0.07 0.00 0.02 0.00 0.00 46.19 41.86 3g4i s LEU 418 CO 0.21 -1.13 1.09 0.42 0.02 0.00 0.00 176.35 176.96 3g4i s THR 419 N -1.91 3.15 0.21 5.49 -4.23 -1.26 -4.82 115.64 112.27 3g4i s THR 419 Ca 0.70 0.37 -0.09 0.00 -1.18 0.00 0.00 61.69 61.50 3g4i s THR 419 Cb -0.21 -3.08 0.15 0.00 1.34 0.00 0.00 72.50 70.70 3g4i s THR 419 CO 0.27 -0.49 1.79 0.50 -0.54 0.00 0.00 174.62 176.15 3g4i h LYS 420 N -1.10 0.61 -0.75 3.99 3.64 -1.98 -0.82 116.57 120.17 3g4i h LYS 420 Ca -0.47 -0.04 -0.05 0.00 -1.27 0.00 0.00 60.65 58.82 3g4i h LYS 420 Cb 1.26 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.91 3g4i h LYS 420 CO 0.58 0.41 0.25 0.87 -2.27 0.00 0.00 179.45 179.29 3g4i h LYS 421 N 0.63 1.15 -0.26 1.90 1.57 -1.99 -1.47 116.57 118.09 3g4i h LYS 421 Ca 0.31 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3g4i h LYS 421 Cb 0.24 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 3g4i h LYS 421 CO -0.21 0.96 0.11 1.96 -0.57 0.00 0.00 179.45 181.70 3g4i h GLN 422 N 1.11 0.39 -0.45 3.15 4.20 -1.82 -1.53 115.11 120.16 3g4i h GLN 422 Ca 0.24 -0.06 0.06 0.00 0.06 0.00 0.00 58.65 58.95 3g4i h GLN 422 Cb 0.28 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.94 3g4i h GLN 422 CO -0.01 0.40 0.16 0.00 -0.67 0.00 0.00 178.83 178.71 3g4i h ARG 423 N 0.28 0.33 -0.40 1.46 3.08 -1.03 0.11 114.38 118.20 3g4i h ARG 423 Ca 0.09 -0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.09 3g4i h ARG 423 Cb 0.15 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 3g4i h ARG 423 CO -0.01 0.22 0.16 1.96 -1.07 0.00 0.00 179.97 181.22 3g4i h GLN 424 N 0.34 0.60 -0.16 0.04 4.20 -1.18 -0.32 115.11 118.63 3g4i h GLN 424 Ca 0.21 -0.11 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 3g4i h GLN 424 Cb 0.20 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 3g4i h GLN 424 CO -0.21 0.57 0.04 1.03 -0.67 0.00 0.00 178.83 179.60 3g4i h SER 425 N 0.51 0.24 -0.13 1.46 0.87 -1.12 -2.40 113.55 112.97 3g4i h SER 425 Ca 0.13 -0.23 0.02 0.00 -1.23 0.00 0.00 61.79 60.48 3g4i h SER 425 Cb 0.20 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.08 3g4i h SER 425 CO -0.01 0.40 0.03 0.25 -0.53 0.00 0.00 176.83 176.97 3g4i h LEU 426 N 0.06 0.01 -0.41 2.23 6.46 -0.72 -2.19 115.31 120.74 3g4i h LEU 426 Ca 0.05 0.02 0.08 0.00 -0.12 0.00 0.00 57.88 57.91 3g4i h LEU 426 Cb 0.25 0.02 -0.07 0.00 -0.73 0.00 0.00 40.66 40.14 3g4i h LEU 426 CO 0.00 0.03 -0.04 -0.09 -0.62 0.00 0.00 178.44 177.72 3g4i h ARG 427 N 0.09 0.06 -0.58 1.25 2.43 -1.03 -0.70 114.38 115.90 3g4i h ARG 427 Ca 0.06 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3g4i h ARG 427 Cb 0.05 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.55 3g4i h ARG 427 CO -0.08 0.04 0.38 -0.22 -1.51 0.00 0.00 179.97 178.59 3g4i h LYS 428 N 0.07 0.75 -0.57 0.20 3.64 -1.21 -1.86 116.57 117.59 3g4i h LYS 428 Ca 0.20 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.44 3g4i h LYS 428 Cb 0.30 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.93 3g4i h LYS 428 CO -0.37 0.50 -0.02 0.52 -2.27 0.00 0.00 179.45 177.80 3g4i h MET 429 N 0.77 1.02 -0.46 1.90 2.86 -0.96 -1.34 114.93 118.72 3g4i h MET 429 Ca 0.22 -0.34 -0.06 0.00 -2.06 0.00 0.00 59.70 57.46 3g4i h MET 429 Cb -0.07 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.48 3g4i h MET 429 CO -0.06 1.02 0.06 0.28 1.06 0.00 0.00 176.91 179.28 3g4i h VAL 430 N 0.91 1.25 0.02 -2.22 2.07 -0.91 -0.75 116.25 116.61 3g4i h VAL 430 Ca 0.16 -0.93 -0.00 0.00 0.82 0.00 0.00 66.70 66.75 3g4i h VAL 430 Cb 0.58 0.96 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3g4i h VAL 430 CO 0.03 0.32 -0.01 0.40 0.02 0.00 0.00 177.57 178.34 3g4i h ILE 431 N 0.63 1.00 -0.86 4.57 2.04 -1.29 -1.16 117.51 122.45 3g4i h ILE 431 Ca 0.14 -0.05 0.07 0.00 1.00 0.00 0.00 64.86 66.02 3g4i h ILE 431 Cb 0.40 1.04 -0.06 0.00 -0.74 0.00 0.00 36.82 37.45 3g4i h ILE 431 CO 0.01 0.01 0.53 0.44 0.00 0.00 0.00 178.15 179.14 3g4i h ASP 432 N -0.04 0.82 0.04 1.72 3.45 -0.98 -1.16 116.42 120.27 3g4i h ASP 432 Ca -0.00 0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.48 3g4i h ASP 432 Cb 0.04 -0.15 0.00 0.00 -0.56 0.00 0.00 39.33 38.66 3g4i h ASP 432 CO 0.00 0.51 -0.02 0.40 -1.57 0.00 0.00 179.24 178.56 3g4i h ILE 433 N 0.95 1.26 -0.46 0.35 2.04 -0.96 -3.06 117.51 117.63 3g4i h ILE 433 Ca 0.38 -1.02 -0.14 0.00 1.00 0.00 0.00 64.86 65.08 3g4i h ILE 433 Cb 0.21 1.93 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 3g4i h ILE 433 CO -0.19 0.26 -0.25 0.58 0.00 0.00 0.00 178.15 178.54 3g4i h VAL 434 N -0.51 1.27 0.00 1.67 2.07 -1.02 -2.33 116.25 117.40 3g4i h VAL 434 Ca -0.01 -1.42 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 3g4i h VAL 434 Cb 0.47 1.18 -0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3g4i h VAL 434 CO 0.01 0.49 -0.06 -0.07 0.02 0.00 0.00 177.57 177.96 3g4i h LEU 435 N 0.82 0.00 0.00 2.57 3.38 -1.31 -1.42 115.31 119.36 3g4i h LEU 435 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3g4i h LEU 435 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 3g4i h LEU 435 CO 0.07 0.06 0.00 0.00 0.09 0.00 0.00 178.44 178.66 3g4i n ALA 436 N -2.38 2.25 1.16 1.53 0.00 -0.88 -3.22 120.51 118.96 3g4i n ALA 436 Ca -0.03 -0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.44 3g4i n ALA 436 Cb 0.15 -1.41 0.61 0.00 0.00 0.00 0.00 19.45 18.80 3g4i n ALA 436 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3g4i n THR 437 N -1.36 0.00 -1.85 0.00 -2.24 -0.53 -4.79 114.28 103.52 3g4i n THR 437 Ca 0.10 -0.01 -0.42 0.00 -2.27 0.00 0.00 64.05 61.45 3g4i n THR 437 Cb 0.24 -0.37 -0.03 0.00 -2.10 0.00 0.00 70.33 68.07 3g4i n THR 437 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3g4i s ASP 438 N -2.83 6.26 0.55 3.42 -1.08 -1.20 -4.86 116.67 116.93 3g4i s ASP 438 Ca 0.19 2.13 0.24 0.00 -0.52 0.00 0.00 52.55 54.59 3g4i s ASP 438 Cb 0.19 -2.53 1.50 0.00 -1.46 0.00 0.00 42.92 40.63 3g4i s ASP 438 CO 0.53 -1.28 2.14 0.24 0.52 0.00 0.00 175.17 177.31 3g4i h MET 439 N 11.38 0.00 0.00 4.34 2.86 -1.93 0.11 114.93 131.69 3g4i h MET 439 Ca -0.41 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 3g4i h MET 439 Cb 1.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 3g4i h MET 439 CO 0.96 0.00 0.02 0.66 1.06 0.00 0.00 176.91 179.61 3g4i h SER 440 N 0.00 0.00 -0.02 1.22 4.64 -1.96 -0.86 113.55 116.56 3g4i h SER 440 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3g4i h SER 440 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3g4i h SER 440 CO -0.00 0.00 -0.02 0.29 -0.87 0.00 0.00 176.83 176.23 3g4i n LYS 441 N -2.58 2.04 -0.04 4.77 5.02 0.39 -4.62 118.16 123.13 3g4i n LYS 441 Ca -0.02 -1.54 -0.08 0.00 -2.02 0.00 0.00 58.31 54.65 3g4i n LYS 441 Cb 0.06 -1.47 -0.02 0.00 -0.02 0.00 0.00 35.03 33.59 3g4i n LYS 441 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3g4i h HIS 442 N 3.75 -0.27 -0.78 2.13 2.76 -1.24 -1.13 115.15 120.36 3g4i h HIS 442 Ca 0.00 0.02 -0.03 0.00 -2.20 0.00 0.00 60.37 58.16 3g4i h HIS 442 Cb 0.81 0.15 -0.04 0.00 1.55 0.00 0.00 27.41 29.88 3g4i h HIS 442 CO 0.00 -0.17 0.37 0.52 -1.30 0.00 0.00 177.93 177.34 3g4i h MET 443 N -0.09 1.13 -0.14 5.26 2.86 -1.82 0.81 114.93 122.94 3g4i h MET 443 Ca 0.12 -0.17 -0.17 0.00 -2.06 0.00 0.00 59.70 57.41 3g4i h MET 443 Cb 0.27 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.72 3g4i h MET 443 CO -0.27 0.88 -0.64 -0.91 1.06 0.00 0.00 176.91 177.03 3g4i h ASN 444 N 1.10 0.58 -0.01 1.22 2.35 -1.84 -1.43 115.58 117.55 3g4i h ASN 444 Ca 0.27 -0.34 -0.00 0.00 -0.55 0.00 0.00 56.30 55.68 3g4i h ASN 444 Cb 0.13 -0.17 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 3g4i h ASN 444 CO -0.03 1.07 0.01 0.25 -1.65 0.00 0.00 177.43 177.07 3g4i h LEU 445 N 0.37 0.01 -0.34 1.61 5.85 -0.72 -2.17 115.31 119.92 3g4i h LEU 445 Ca -0.01 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.66 3g4i h LEU 445 Cb 1.20 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.21 3g4i h LEU 445 CO 0.12 0.04 0.15 0.25 -0.34 0.00 0.00 178.44 178.66 3g4i h LEU 446 N -0.02 0.46 -0.58 2.25 5.85 -0.82 -1.08 115.31 121.37 3g4i h LEU 446 Ca 0.00 -0.14 0.10 0.00 0.84 0.00 0.00 57.88 58.69 3g4i h LEU 446 Cb 0.03 -0.12 -0.08 0.00 0.37 0.00 0.00 40.66 40.86 3g4i h LEU 446 CO -0.00 0.47 0.14 0.00 -0.34 0.00 0.00 178.44 178.71 3g4i h ALA 447 N 1.00 0.70 -0.18 1.25 0.00 -1.22 0.03 119.26 120.84 3g4i h ALA 447 Ca 0.12 0.12 -0.11 0.00 0.00 0.00 0.00 54.91 55.03 3g4i h ALA 447 Cb 0.14 0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 3g4i h ALA 447 CO -0.01 -0.29 -0.37 -0.44 0.00 0.00 0.00 179.25 178.14 3g4i h ASP 448 N 0.28 0.41 -0.68 0.00 3.32 -1.14 -2.23 116.42 116.38 3g4i h ASP 448 Ca 0.30 -0.17 -0.06 0.00 0.02 0.00 0.00 57.03 57.13 3g4i h ASP 448 Cb 0.43 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 3g4i h ASP 448 CO -0.37 0.75 0.21 0.25 -1.72 0.00 0.00 179.24 178.36 3g4i h LEU 449 N 0.33 1.01 -0.73 1.55 5.85 -0.30 -1.86 115.31 121.17 3g4i h LEU 449 Ca 0.04 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.50 3g4i h LEU 449 Cb 0.81 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.54 3g4i h LEU 449 CO 0.06 0.95 0.18 0.11 -0.34 0.00 0.00 178.44 179.41 3g4i h LYS 450 N 1.04 1.15 -0.59 1.25 1.57 -0.76 -1.06 116.57 119.16 3g4i h LYS 450 Ca 0.23 -0.27 -0.02 0.00 -1.87 0.00 0.00 60.65 58.72 3g4i h LYS 450 Cb 0.31 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 3g4i h LYS 450 CO -0.01 1.00 0.30 1.15 -0.57 0.00 0.00 179.45 181.33 3g4i h THR 451 N 1.09 1.20 -0.46 -0.16 2.02 -1.24 -1.58 112.91 113.79 3g4i h THR 451 Ca 0.23 -0.55 0.03 0.00 0.77 0.00 0.00 66.41 66.89 3g4i h THR 451 Cb 0.37 0.48 -0.04 0.00 -1.74 0.00 0.00 68.15 67.22 3g4i h THR 451 CO 0.00 0.23 0.24 -0.03 0.37 0.00 0.00 175.52 176.33 3g4i h MET 452 N 0.80 0.47 -0.58 6.66 1.85 -1.05 -2.56 114.93 120.53 3g4i h MET 452 Ca 0.21 -0.03 0.00 0.00 -0.61 0.00 0.00 59.70 59.27 3g4i h MET 452 Cb 0.09 -0.11 -0.03 0.00 0.43 0.00 0.00 31.60 31.98 3g4i h MET 452 CO -0.03 0.31 0.38 0.28 -0.40 0.00 0.00 176.91 177.46 3g4i h VAL 453 N 0.49 1.15 -0.70 -5.77 2.07 -0.89 -1.20 116.25 111.40 3g4i h VAL 453 Ca 0.19 -0.28 -0.05 0.00 0.82 0.00 0.00 66.70 67.38 3g4i h VAL 453 Cb 0.07 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 3g4i h VAL 453 CO -0.12 0.15 0.25 -0.33 0.02 0.00 0.00 177.57 177.54 3g4i h GLU 454 N 0.79 1.06 -0.46 1.57 5.08 -0.89 -3.07 114.58 118.66 3g4i h GLU 454 Ca 0.21 -0.20 -0.25 0.00 -1.00 0.00 0.00 59.36 58.13 3g4i h GLU 454 Cb -0.09 -0.17 -0.15 0.00 0.50 0.00 0.00 28.75 28.85 3g4i h GLU 454 CO -0.05 0.88 0.02 0.25 -1.00 0.00 0.00 179.01 179.12 3g4i n THR 455 N -4.28 2.67 -1.68 1.13 -2.24 -1.03 -5.03 114.28 103.82 3g4i n THR 455 Ca 0.06 -2.68 -0.45 0.00 -2.27 0.00 0.00 64.05 58.71 3g4i n THR 455 Cb 0.20 -0.37 -0.04 0.00 -2.10 0.00 0.00 70.33 68.02 3g4i n THR 455 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3g4i n LYS 456 N -1.12 2.39 -4.88 -0.78 4.81 -0.48 -5.01 118.16 113.08 3g4i n LYS 456 Ca 0.38 0.87 -0.32 0.00 -0.87 0.00 0.00 58.31 58.36 3g4i n LYS 456 Cb 1.13 -2.70 -0.13 0.00 0.02 0.00 0.00 35.03 33.35 3g4i n LYS 456 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 3g4i s LYS 457 N 2.20 2.44 0.14 1.64 0.00 -1.26 -5.09 119.74 119.81 3g4i s LYS 457 Ca 0.83 -0.74 0.08 0.00 0.00 0.00 0.00 55.97 56.13 3g4i s LYS 457 Cb -0.61 -2.34 -0.04 0.00 0.00 0.00 0.00 37.83 34.84 3g4i s LYS 457 CO 0.41 0.61 -0.17 0.14 0.00 0.00 0.00 175.35 176.34 3g4i s VAL 458 N -0.75 1.63 0.92 1.79 -7.23 -1.26 -1.25 120.40 114.25 3g4i s VAL 458 Ca 0.12 -1.80 -0.14 0.00 -1.81 0.00 0.00 61.98 58.35 3g4i s VAL 458 Cb -0.11 -1.69 0.15 0.00 0.56 0.00 0.00 36.38 35.29 3g4i s VAL 458 CO 0.01 -0.32 1.18 0.42 -0.31 0.00 0.00 175.10 176.09 3g4i s THR 459 N -1.97 1.96 0.56 5.32 -4.23 0.11 -4.77 115.64 112.62 3g4i s THR 459 Ca 0.12 0.00 0.23 0.00 -1.18 0.00 0.00 61.69 60.87 3g4i s THR 459 Cb -0.06 -2.84 0.32 0.00 1.34 0.00 0.00 72.50 71.27 3g4i s THR 459 CO 0.05 0.00 2.17 -1.28 -0.54 0.00 0.00 174.62 175.02 3g4i h SER 460 N -1.52 0.00 0.16 3.99 0.87 -2.01 -1.12 113.55 113.91 3g4i h SER 460 Ca -0.48 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.08 3g4i h SER 460 Cb 1.31 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.27 3g4i h SER 460 CO 0.55 0.00 -0.03 -1.54 -0.53 0.00 0.00 176.83 175.29 3g4i n SER 461 N -4.17 0.38 0.00 6.23 3.41 -1.26 -4.92 113.62 113.28 3g4i n SER 461 Ca -0.01 -0.88 0.00 0.00 -0.26 0.00 0.00 58.87 57.72 3g4i n SER 461 Cb 0.16 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3g4i n SER 461 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g4i n GLY 462 N 1.14 0.73 3.96 5.00 0.00 -0.42 -5.06 105.19 110.53 3g4i n GLY 462 Ca 0.20 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 3g4i n GLY 462 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g4i s VAL 463 N -2.01 5.28 0.28 1.61 1.01 -1.26 -4.80 120.40 120.52 3g4i s VAL 463 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 3g4i s VAL 463 Cb 0.00 -3.82 -0.11 0.00 0.00 0.00 0.00 36.38 32.45 3g4i s VAL 463 CO 0.00 -0.24 1.58 -0.22 0.00 0.00 0.00 175.10 176.21 3g4i s LEU 464 N -3.71 4.35 -0.38 3.92 2.96 -0.36 0.06 118.68 125.53 3g4i s LEU 464 Ca 0.34 2.91 -0.14 0.00 -0.22 0.00 0.00 54.13 57.02 3g4i s LEU 464 Cb -0.10 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 42.96 3g4i s LEU 464 CO 0.29 -0.89 0.28 -0.22 -1.32 0.00 0.00 176.35 174.50 3g4i s LEU 465 N -0.43 4.82 -0.34 -0.68 2.96 -0.38 -4.67 118.68 119.95 3g4i s LEU 465 Ca 0.63 -0.65 0.04 0.00 -0.22 0.00 0.00 54.13 53.93 3g4i s LEU 465 Cb -0.47 -2.17 0.10 0.00 0.50 0.00 0.00 46.19 44.15 3g4i s LEU 465 CO 0.47 -0.36 0.06 -0.76 -1.32 0.00 0.00 176.35 174.43 3g4i s LEU 466 N 1.73 4.72 0.19 -0.68 1.43 -1.26 -4.67 118.68 120.14 3g4i s LEU 466 Ca 0.06 -2.17 0.25 0.00 -1.03 0.00 0.00 54.13 51.24 3g4i s LEU 466 Cb -0.18 -1.62 0.50 0.00 0.03 0.00 0.00 46.19 44.92 3g4i s LEU 466 CO 0.10 -0.38 1.50 0.44 0.23 0.00 0.00 176.35 178.25 3g4i h ASP 467 N 7.59 0.00 -5.15 2.29 3.45 -1.97 -3.46 116.42 119.17 3g4i h ASP 467 Ca -0.04 -0.10 -0.08 0.00 0.43 0.00 0.00 57.03 57.24 3g4i h ASP 467 Cb 1.02 0.00 -0.13 0.00 -0.56 0.00 0.00 39.33 39.65 3g4i h ASP 467 CO 0.52 0.05 -0.28 0.54 -1.57 0.00 0.00 179.24 178.50 3g4i s ASN 468 N -4.61 0.02 0.21 6.45 2.20 -1.26 -5.06 114.94 112.89 3g4i s ASN 468 Ca 0.07 -0.61 -0.10 0.00 -0.94 0.00 0.00 52.86 51.29 3g4i s ASN 468 Cb 0.12 0.39 0.18 0.00 -2.00 0.00 0.00 41.25 39.95 3g4i s ASN 468 CO 0.67 -0.80 1.87 0.22 -2.94 0.00 0.00 177.10 176.13 3g4i h TYR 469 N 2.61 0.93 -0.50 1.54 3.20 -1.99 -2.06 116.97 120.70 3g4i h TYR 469 Ca -0.33 0.02 0.04 0.00 3.14 0.00 0.00 58.73 61.60 3g4i h TYR 469 Cb 1.22 -0.31 -0.04 0.00 1.54 0.00 0.00 36.73 39.13 3g4i h TYR 469 CO 0.40 0.56 0.25 1.03 -1.64 0.00 0.00 178.16 178.76 3g4i h SER 470 N 0.99 0.36 -0.31 -2.11 0.87 -1.99 0.19 113.55 111.55 3g4i h SER 470 Ca 0.29 0.03 -0.07 0.00 -1.23 0.00 0.00 61.79 60.81 3g4i h SER 470 Cb -0.06 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 61.85 3g4i h SER 470 CO -0.08 0.25 -0.06 0.44 -0.53 0.00 0.00 176.83 176.84 3g4i h ASP 471 N 0.49 0.59 -0.17 6.23 3.32 -1.92 -1.82 116.42 123.15 3g4i h ASP 471 Ca 0.22 -0.36 -0.01 0.00 0.02 0.00 0.00 57.03 56.91 3g4i h ASP 471 Cb 0.13 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3g4i h ASP 471 CO -0.16 0.81 0.07 0.03 -1.72 0.00 0.00 179.24 178.28 3g4i h ARG 472 N 0.37 0.24 -0.23 3.56 3.08 -0.86 -1.88 114.38 118.66 3g4i h ARG 472 Ca 0.08 -0.04 -0.13 0.00 0.07 0.00 0.00 59.98 59.96 3g4i h ARG 472 Cb 0.54 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.54 3g4i h ARG 472 CO 0.03 0.30 -0.40 0.97 -1.07 0.00 0.00 179.97 179.80 3g4i h ILE 473 N 0.13 1.30 -0.32 2.04 6.09 -0.70 -2.06 117.51 124.00 3g4i h ILE 473 Ca 0.06 -1.56 0.04 0.00 -1.37 0.00 0.00 64.86 62.03 3g4i h ILE 473 Cb 0.14 1.56 -0.04 0.00 0.47 0.00 0.00 36.82 38.95 3g4i h ILE 473 CO -0.01 0.49 0.09 -0.61 -3.07 0.00 0.00 178.15 175.04 3g4i h GLN 474 N 0.44 0.21 -0.61 2.19 4.15 -1.17 0.33 115.11 120.64 3g4i h GLN 474 Ca 0.04 -0.01 0.03 0.00 0.77 0.00 0.00 58.65 59.48 3g4i h GLN 474 Cb 0.89 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 28.49 3g4i h GLN 474 CO 0.08 0.14 0.37 0.28 -1.93 0.00 0.00 178.83 177.76 3g4i h VAL 475 N 0.22 1.05 -0.44 2.39 2.07 -1.09 -1.01 116.25 119.44 3g4i h VAL 475 Ca 0.15 -0.25 -0.11 0.00 0.82 0.00 0.00 66.70 67.31 3g4i h VAL 475 Cb 0.14 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 3g4i h VAL 475 CO -0.17 0.13 -0.17 -0.07 0.02 0.00 0.00 177.57 177.31 3g4i h LEU 476 N 0.72 0.91 -0.06 2.57 3.38 -0.77 0.29 115.31 122.34 3g4i h LEU 476 Ca 0.25 -0.39 0.02 0.00 0.09 0.00 0.00 57.88 57.86 3g4i h LEU 476 Cb 0.05 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.53 3g4i h LEU 476 CO -0.12 1.09 -0.07 1.56 0.09 0.00 0.00 178.44 180.99 3g4i h GLN 477 N 0.72 -0.09 -0.18 1.13 4.20 -0.16 -2.08 115.11 118.65 3g4i h GLN 477 Ca 0.10 0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.74 3g4i h GLN 477 Cb 0.73 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 28.51 3g4i h GLN 477 CO 0.06 -0.06 -0.23 -0.91 -0.67 0.00 0.00 178.83 177.02 3g4i h ASN 478 N -0.10 0.31 0.05 1.46 2.35 -1.05 -1.72 115.58 116.89 3g4i h ASN 478 Ca 0.05 -0.09 -0.00 0.00 -0.55 0.00 0.00 56.30 55.71 3g4i h ASN 478 Cb 0.17 -0.08 0.00 0.00 0.05 0.00 0.00 38.32 38.45 3g4i h ASN 478 CO -0.12 0.55 -0.02 -0.03 -1.65 0.00 0.00 177.43 176.16 3g4i h MET 479 N 0.29 -0.06 -0.19 0.81 4.05 -0.69 0.20 114.93 119.33 3g4i h MET 479 Ca 0.05 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.36 3g4i h MET 479 Cb 0.57 0.01 -0.01 0.00 -0.80 0.00 0.00 31.60 31.37 3g4i h MET 479 CO 0.04 0.07 -0.35 0.28 0.23 0.00 0.00 176.91 177.17 3g4i h VAL 480 N -0.18 1.29 -0.62 -5.77 2.07 -1.33 -0.09 116.25 111.63 3g4i h VAL 480 Ca -0.01 -1.44 -0.02 0.00 0.82 0.00 0.00 66.70 66.05 3g4i h VAL 480 Cb 0.16 1.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.44 3g4i h VAL 480 CO 0.01 0.45 0.30 -0.74 0.02 0.00 0.00 177.57 177.60 3g4i h HIS 481 N 0.34 0.89 -0.35 1.57 6.17 -1.07 0.25 115.15 122.95 3g4i h HIS 481 Ca 0.04 -0.04 -0.00 0.00 0.71 0.00 0.00 60.37 61.07 3g4i h HIS 481 Cb 0.79 -0.28 -0.02 0.00 2.52 0.00 0.00 27.41 30.42 3g4i h HIS 481 CO 0.02 0.68 0.21 0.00 0.71 0.00 0.00 177.93 179.55 3g4i h ALA 483 N 1.08 0.77 -0.91 0.00 0.00 -0.59 -0.88 119.26 118.74 3g4i h ALA 483 Ca 0.13 0.01 0.01 0.00 0.00 0.00 0.00 54.91 55.06 3g4i h ALA 483 Cb 0.02 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.64 3g4i h ALA 483 CO -0.02 0.02 0.60 0.22 0.00 0.00 0.00 179.25 180.07 3g4i h ASP 484 N 0.64 1.04 -0.95 0.00 3.58 -0.36 -2.85 116.42 117.51 3g4i h ASP 484 Ca 0.26 -0.03 -0.61 0.00 0.42 0.00 0.00 57.03 57.07 3g4i h ASP 484 Cb 0.11 -0.26 -0.30 0.00 1.72 0.00 0.00 39.33 40.61 3g4i h ASP 484 CO -0.15 0.75 0.65 0.18 -2.88 0.00 0.00 179.24 177.79 3g4i n LEU 485 N -4.40 7.09 0.01 2.28 4.77 -0.32 -4.62 117.00 121.81 3g4i n LEU 485 Ca 0.11 -4.13 0.11 0.00 -0.03 0.00 0.00 56.01 52.07 3g4i n LEU 485 Cb 0.03 -0.88 0.07 0.00 -2.33 0.00 0.00 43.42 40.30 3g4i n LEU 485 CO 0.37 1.41 0.14 -1.54 -1.33 0.00 0.00 177.39 176.43 3g4i n SER 486 N -0.97 0.66 -0.18 -1.43 3.41 -0.41 -4.55 113.62 110.15 3g4i n SER 486 Ca 0.59 -0.38 -0.01 0.00 -0.26 0.00 0.00 58.87 58.82 3g4i n SER 486 Cb 0.95 0.66 0.08 0.00 -0.26 0.00 0.00 64.21 65.65 3g4i n SER 486 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3g4i h ASN 487 N 0.00 -0.00 0.30 4.04 -0.26 -1.83 -0.68 115.58 117.15 3g4i h ASN 487 Ca 0.00 0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 3g4i h ASN 487 Cb 0.61 0.14 0.00 0.00 -1.06 0.00 0.00 38.32 38.01 3g4i h ASN 487 CO 0.00 0.02 0.00 -2.65 -1.06 0.00 0.00 177.43 173.74 3g4i n PRO 488 N -5.12 0.15 0.00 0.81 -0.02 -1.26 -2.07 135.00 127.48 3g4i n PRO 488 Ca 0.07 0.18 0.12 0.00 -2.02 0.00 0.00 63.50 61.85 3g4i n PRO 488 Cb 0.28 -1.50 0.07 0.00 -0.02 0.00 0.00 33.50 32.33 3g4i n PRO 488 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3g4i n THR 489 N -1.34 0.00 -2.42 3.45 -2.24 -0.27 -4.18 114.28 107.28 3g4i n THR 489 Ca 0.06 -0.44 -0.26 0.00 -2.27 0.00 0.00 64.05 61.14 3g4i n THR 489 Cb 0.12 1.44 0.03 0.00 -2.10 0.00 0.00 70.33 69.82 3g4i n THR 489 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3g4i s LYS 490 N -2.10 2.83 0.17 -0.78 -0.14 -0.88 -4.61 119.74 114.23 3g4i s LYS 490 Ca 0.25 -0.10 -0.33 0.00 -1.36 0.00 0.00 55.97 54.44 3g4i s LYS 490 Cb 0.19 -2.29 -0.16 0.00 -1.68 0.00 0.00 37.83 33.90 3g4i s LYS 490 CO 0.37 -0.73 1.11 -2.30 -0.76 0.00 0.00 175.35 173.04 3g4i n PRO 491 N -2.58 1.04 -0.32 -1.68 -0.02 -1.26 -4.60 135.00 125.58 3g4i n PRO 491 Ca 0.05 0.37 0.20 0.00 -2.02 0.00 0.00 63.50 62.10 3g4i n PRO 491 Cb 0.58 -1.83 0.41 0.00 -0.02 0.00 0.00 33.50 32.63 3g4i n PRO 491 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3g4i h LEU 492 N 3.14 0.33 -1.46 2.45 5.85 -1.95 0.25 115.31 123.92 3g4i h LEU 492 Ca -0.43 0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 3g4i h LEU 492 Cb 1.35 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 42.55 3g4i h LEU 492 CO 0.69 -0.14 0.23 -0.61 -0.34 0.00 0.00 178.44 178.26 3g4i h GLN 493 N 0.29 0.59 0.02 1.25 -0.00 -2.00 -0.61 115.11 114.64 3g4i h GLN 493 Ca 0.67 -0.06 -0.12 0.00 -0.00 0.00 0.00 58.65 59.14 3g4i h GLN 493 Cb 1.46 -0.12 0.01 0.00 0.00 0.00 0.00 27.48 28.83 3g4i h GLN 493 CO -0.63 0.44 -0.50 -0.07 0.00 0.00 0.00 178.83 178.08 3g4i h LEU 494 N 0.60 0.40 -0.60 -2.39 3.38 -0.86 -3.17 115.31 112.68 3g4i h LEU 494 Ca 0.15 -0.81 0.05 0.00 0.09 0.00 0.00 57.88 57.36 3g4i h LEU 494 Cb 0.03 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 40.61 3g4i h LEU 494 CO -0.02 1.16 0.32 0.22 0.09 0.00 0.00 178.44 180.21 3g4i h TYR 495 N -0.32 0.58 -0.56 1.13 3.20 -1.09 -1.93 116.97 117.98 3g4i h TYR 495 Ca -0.07 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 61.76 3g4i h TYR 495 Cb 1.26 -0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.33 3g4i h TYR 495 CO 0.17 0.28 0.10 0.00 -1.64 0.00 0.00 178.16 177.08 3g4i h ARG 496 N 0.60 0.89 -0.45 1.82 3.08 -1.22 -0.59 114.38 118.50 3g4i h ARG 496 Ca 0.27 -0.21 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 3g4i h ARG 496 Cb 0.16 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 3g4i h ARG 496 CO -0.17 0.82 0.26 1.96 -1.07 0.00 0.00 179.97 181.77 3g4i h GLN 497 N 0.85 0.62 -0.75 0.04 4.20 -1.42 -1.46 115.11 117.19 3g4i h GLN 497 Ca 0.18 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.81 3g4i h GLN 497 Cb 0.36 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.97 3g4i h GLN 497 CO 0.01 0.47 0.40 -1.49 -0.67 0.00 0.00 178.83 177.55 3g4i h TRP 498 N 0.60 1.04 -0.21 2.96 4.06 -0.85 -2.10 115.95 121.46 3g4i h TRP 498 Ca 0.16 -0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.07 3g4i h TRP 498 Cb 0.02 -0.33 -0.01 0.00 -1.00 0.00 0.00 29.16 27.84 3g4i h TRP 498 CO -0.03 0.74 0.10 1.15 -3.56 0.00 0.00 178.44 176.85 3g4i h THR 499 N 1.04 1.12 -0.89 1.49 2.02 -0.91 -0.85 112.91 115.93 3g4i h THR 499 Ca 0.26 -0.35 0.11 0.00 0.77 0.00 0.00 66.41 67.21 3g4i h THR 499 Cb 0.06 0.98 -0.08 0.00 -1.74 0.00 0.00 68.15 67.37 3g4i h THR 499 CO -0.04 0.12 0.52 0.44 0.37 0.00 0.00 175.52 176.93 3g4i h ASP 500 N 0.21 0.73 -0.06 4.18 3.32 -1.18 -0.98 116.42 122.63 3g4i h ASP 500 Ca 0.07 0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3g4i h ASP 500 Cb 0.10 -0.08 -0.00 0.00 0.22 0.00 0.00 39.33 39.57 3g4i h ASP 500 CO -0.01 0.38 -0.01 0.03 -1.72 0.00 0.00 179.24 177.91 3g4i h ARG 501 N 0.82 0.11 -0.19 3.56 3.08 -0.84 -1.81 114.38 119.10 3g4i h ARG 501 Ca 0.45 -0.04 -0.08 0.00 0.07 0.00 0.00 59.98 60.37 3g4i h ARG 501 Cb 0.47 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.50 3g4i h ARG 501 CO -0.28 0.45 -0.25 0.97 -1.07 0.00 0.00 179.97 179.79 3g4i h ILE 502 N -0.24 1.25 -0.38 2.04 6.09 -0.95 -1.38 117.51 123.94 3g4i h ILE 502 Ca 0.01 -1.19 -0.16 0.00 -1.37 0.00 0.00 64.86 62.15 3g4i h ILE 502 Cb 0.41 1.39 -0.01 0.00 0.47 0.00 0.00 36.82 39.08 3g4i h ILE 502 CO 0.01 0.37 -0.38 0.24 -3.07 0.00 0.00 178.15 175.32 3g4i h MET 503 N 0.32 0.92 -0.37 2.19 2.86 -1.17 0.15 114.93 119.83 3g4i h MET 503 Ca 0.05 -0.48 0.05 0.00 -2.06 0.00 0.00 59.70 57.27 3g4i h MET 503 Cb 0.62 0.01 -0.05 0.00 0.06 0.00 0.00 31.60 32.24 3g4i h MET 503 CO 0.04 1.13 0.08 1.49 1.06 0.00 0.00 176.91 180.71 3g4i h GLU 504 N 0.75 0.20 0.04 1.72 4.81 -0.97 0.25 114.58 121.38 3g4i h GLU 504 Ca 0.06 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3g4i h GLU 504 Cb 0.97 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.30 3g4i h GLU 504 CO 0.09 0.13 -0.02 1.49 -0.73 0.00 0.00 179.01 179.97 3g4i h GLU 505 N 0.20 -0.05 -0.33 1.92 4.81 -0.93 -1.85 114.58 118.35 3g4i h GLU 505 Ca 0.18 0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.43 3g4i h GLU 505 Cb 0.20 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.56 3g4i h GLU 505 CO -0.23 0.08 0.16 0.74 -0.73 0.00 0.00 179.01 179.03 3g4i h PHE 506 N -0.18 0.29 -0.85 0.92 -1.00 -0.58 -2.18 116.94 113.37 3g4i h PHE 506 Ca -0.01 0.01 -0.03 0.00 2.81 0.00 0.00 57.97 60.76 3g4i h PHE 506 Cb 0.16 -0.08 -0.04 0.00 3.61 0.00 0.00 35.95 39.60 3g4i h PHE 506 CO -0.03 0.15 0.42 0.74 -1.61 0.00 0.00 178.31 177.97 3g4i h PHE 507 N 0.33 1.21 -0.80 -0.55 0.04 -0.41 -1.15 116.94 115.60 3g4i h PHE 507 Ca 0.14 -0.05 -0.02 0.00 2.80 0.00 0.00 57.97 60.83 3g4i h PHE 507 Cb 0.06 -0.38 -0.04 0.00 2.20 0.00 0.00 35.95 37.80 3g4i h PHE 507 CO -0.10 0.87 0.41 0.00 -0.60 0.00 0.00 178.31 178.88 3g4i h ARG 508 N 1.20 1.13 -0.41 1.51 3.08 -1.14 0.17 114.38 119.94 3g4i h ARG 508 Ca 0.29 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 60.20 3g4i h ARG 508 Cb 0.10 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 29.92 3g4i h ARG 508 CO -0.04 0.86 0.27 0.37 -1.07 0.00 0.00 179.97 180.36 3g4i h GLN 509 N 1.12 0.53 -0.60 0.04 4.15 -0.83 -1.42 115.11 118.11 3g4i h GLN 509 Ca 0.28 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.67 3g4i h GLN 509 Cb 0.07 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.61 3g4i h GLN 509 CO -0.04 0.35 0.37 0.78 -1.93 0.00 0.00 178.83 178.37 3g4i h GLY 510 N 0.55 0.85 1.12 2.39 0.00 -0.87 0.13 103.07 107.24 3g4i h GLY 510 Ca 0.15 -0.33 -0.05 0.00 0.00 0.00 0.00 47.33 47.10 3g4i h GLY 510 CO -0.03 0.33 0.28 -0.55 0.00 0.00 0.00 176.54 176.56 3g4i h ASP 511 N 0.82 1.04 -0.20 0.19 3.32 -0.61 -0.00 116.42 120.98 3g4i h ASP 511 Ca 0.22 -0.16 -0.05 0.00 0.02 0.00 0.00 57.03 57.05 3g4i h ASP 511 Cb -0.06 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.22 3g4i h ASP 511 CO -0.04 0.93 -0.06 0.03 -1.72 0.00 0.00 179.24 178.37 3g4i h ARG 512 N 1.09 0.39 -0.57 3.56 3.08 -0.54 -1.82 114.38 119.58 3g4i h ARG 512 Ca 0.25 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 60.17 3g4i h ARG 512 Cb 0.23 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.22 3g4i h ARG 512 CO -0.02 0.66 0.33 0.93 -1.07 0.00 0.00 179.97 180.80 3g4i h GLU 513 N 0.10 0.63 -0.27 0.04 5.08 -0.61 -2.24 114.58 117.31 3g4i h GLU 513 Ca 0.05 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 3g4i h GLU 513 Cb 0.52 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 3g4i h GLU 513 CO 0.02 0.41 0.16 -0.09 -1.00 0.00 0.00 179.01 178.51 3g4i h ARG 514 N 0.65 0.37 0.00 2.33 2.43 -0.93 0.19 114.38 119.41 3g4i h ARG 514 Ca 0.24 -0.04 -0.06 0.00 -0.81 0.00 0.00 59.98 59.31 3g4i h ARG 514 Cb 0.07 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 29.54 3g4i h ARG 514 CO -0.12 0.30 -0.28 1.05 -1.51 0.00 0.00 179.97 179.41 3g4i h GLU 515 N 0.33 0.00 -0.00 0.20 4.11 -1.21 -1.97 114.58 116.04 3g4i h GLU 515 Ca 0.10 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.53 3g4i h GLU 515 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 3g4i h GLU 515 CO -0.02 0.28 -0.12 0.54 0.07 0.00 0.00 179.01 179.76 3g4i n ARG 516 N -3.92 0.67 -1.33 1.06 1.74 -0.85 -4.93 116.66 109.09 3g4i n ARG 516 Ca -0.02 -0.24 -0.05 0.00 -0.77 0.00 0.00 57.85 56.78 3g4i n ARG 516 Cb 0.35 -1.50 -0.02 0.00 -1.02 0.00 0.00 32.46 30.28 3g4i n ARG 516 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g4i n GLY 517 N 1.29 0.66 3.91 -0.13 0.00 -0.74 -5.04 105.19 105.14 3g4i n GLY 517 Ca 0.14 -0.81 -0.27 0.00 0.00 0.00 0.00 46.02 45.09 3g4i n GLY 517 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3g4i s MET 518 N -2.77 3.57 0.25 1.61 -1.94 0.61 -5.01 119.30 115.62 3g4i s MET 518 Ca 0.00 0.01 -0.31 0.00 -1.71 0.00 0.00 55.69 53.68 3g4i s MET 518 Cb 0.00 -2.54 -0.12 0.00 2.01 0.00 0.00 34.83 34.18 3g4i s MET 518 CO 0.00 0.03 1.63 0.39 -0.01 0.00 0.00 175.02 177.06 3g4i n GLU 519 N -1.68 2.66 -2.62 2.03 1.02 -1.26 -4.29 120.64 116.50 3g4i n GLU 519 Ca -0.02 0.95 -0.42 0.00 -0.02 0.00 0.00 57.16 57.66 3g4i n GLU 519 Cb 0.55 -2.75 -0.03 0.00 -0.02 0.00 0.00 31.44 29.19 3g4i n GLU 519 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3g4i s ILE 520 N 0.46 4.48 0.77 -3.67 1.01 -1.26 -4.89 121.20 118.09 3g4i s ILE 520 Ca 0.69 1.86 -0.11 0.00 0.00 0.00 0.00 60.65 63.09 3g4i s ILE 520 Cb -0.52 -4.19 0.06 0.00 0.01 0.00 0.00 42.46 37.81 3g4i s ILE 520 CO 0.42 0.19 1.10 -0.44 0.00 0.00 0.00 174.94 176.21 3g4i s SER 521 N 0.70 4.47 0.26 3.58 0.01 -1.26 -4.91 113.70 116.55 3g4i s SER 521 Ca 0.52 1.87 -0.31 0.00 1.31 0.00 0.00 55.95 59.35 3g4i s SER 521 Cb -0.25 -2.53 -0.12 0.00 0.21 0.00 0.00 66.02 63.33 3g4i s SER 521 CO 0.29 -2.06 1.55 -2.65 0.41 0.00 0.00 173.24 170.79 3g4i n PRO 522 N -3.43 2.47 -0.94 12.44 -0.02 -1.26 -1.88 135.00 142.37 3g4i n PRO 522 Ca 0.09 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.45 3g4i n PRO 522 Cb 0.53 -2.63 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 3g4i n PRO 522 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3g4i n MET 523 N 2.38 -0.41 0.00 -0.52 2.81 -1.26 -4.87 117.12 115.25 3g4i n MET 523 Ca 0.11 0.10 0.08 0.00 -1.81 0.00 0.00 57.70 56.18 3g4i n MET 523 Cb 0.34 -3.46 0.06 0.00 -0.71 0.00 0.00 33.22 29.45 3g4i n MET 523 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3g4i s ASP 525 N -1.38 6.19 0.62 0.00 -1.08 -1.26 -3.69 116.67 116.06 3g4i s ASP 525 Ca 0.18 -1.20 0.37 0.00 -0.52 0.00 0.00 52.55 51.39 3g4i s ASP 525 Cb 0.13 -2.25 2.03 0.00 -1.46 0.00 0.00 42.92 41.37 3g4i s ASP 525 CO 0.22 -0.85 2.26 0.07 0.52 0.00 0.00 175.17 177.39 3g4i h LYS 526 N 8.95 0.00 0.00 4.34 2.10 -1.90 -2.13 116.57 127.93 3g4i h LYS 526 Ca -0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.37 3g4i h LYS 526 Cb 1.10 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.43 3g4i h LYS 526 CO 0.97 0.02 -0.81 0.45 -2.00 0.00 0.00 179.45 178.08 3g4i h HIS 527 N 0.00 0.00 -2.04 0.07 3.86 -2.01 -3.39 115.15 111.64 3g4i h HIS 527 Ca -0.00 0.00 -0.50 0.00 -1.16 0.00 0.00 60.37 58.71 3g4i h HIS 527 Cb 0.10 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.17 3g4i h HIS 527 CO 0.00 0.00 -1.10 0.09 0.86 0.00 0.00 177.93 177.78 3g4i n ASN 528 N -2.36 1.35 -4.51 2.45 3.02 -0.84 -5.11 115.26 109.27 3g4i n ASN 528 Ca 0.02 -3.09 -0.29 0.00 -0.03 0.00 0.00 54.58 51.19 3g4i n ASN 528 Cb 0.49 -0.61 -0.11 0.00 -0.61 0.00 0.00 39.78 38.94 3g4i n ASN 528 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g4i s ALA 529 N -2.48 2.75 -0.52 5.41 0.00 -0.99 -4.71 121.76 121.23 3g4i s ALA 529 Ca 0.41 -1.35 0.07 0.00 0.00 0.00 0.00 51.96 51.09 3g4i s ALA 529 Cb 0.32 -0.70 0.24 0.00 0.00 0.00 0.00 23.12 22.98 3g4i s ALA 529 CO -0.09 0.59 0.59 0.43 0.00 0.00 0.00 175.76 177.28 3g4i n SER 530 N 0.70 1.79 -0.02 0.00 7.64 -1.26 -5.01 113.62 117.46 3g4i n SER 530 Ca -0.15 -3.01 -0.10 0.00 1.01 0.00 0.00 58.87 56.62 3g4i n SER 530 Cb 0.53 -0.65 -0.04 0.00 -1.01 0.00 0.00 64.21 63.03 3g4i n SER 530 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3g4i h VAL 531 N 2.90 0.96 -0.07 0.44 2.07 -1.98 -0.05 116.25 120.53 3g4i h VAL 531 Ca 0.15 -0.04 -0.02 0.00 0.82 0.00 0.00 66.70 67.61 3g4i h VAL 531 Cb 0.78 0.85 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 3g4i h VAL 531 CO 0.62 0.02 -0.05 -0.33 0.02 0.00 0.00 177.57 177.86 3g4i h GLU 532 N 0.11 0.15 -0.30 1.57 3.07 -1.91 -2.49 114.58 114.79 3g4i h GLU 532 Ca 0.06 -0.07 -0.02 0.00 -0.50 0.00 0.00 59.36 58.82 3g4i h GLU 532 Cb 0.04 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.93 3g4i h GLU 532 CO -0.06 0.56 0.08 -0.22 -1.40 0.00 0.00 179.01 177.97 3g4i h LYS 533 N -0.26 0.43 -0.02 2.33 3.64 -1.84 -2.18 116.57 118.68 3g4i h LYS 533 Ca 0.01 -0.06 -0.09 0.00 -1.27 0.00 0.00 60.65 59.24 3g4i h LYS 533 Cb 0.53 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.25 3g4i h LYS 533 CO 0.01 0.39 -0.41 0.77 -2.27 0.00 0.00 179.45 177.94 3g4i h SER 534 N 0.43 0.04 -0.32 4.20 0.02 -0.87 -2.14 113.55 114.91 3g4i h SER 534 Ca 0.10 -0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 60.89 3g4i h SER 534 Cb 0.15 -0.01 -0.01 0.00 0.14 0.00 0.00 62.40 62.68 3g4i h SER 534 CO -0.01 0.45 -0.38 1.56 -1.14 0.00 0.00 176.83 177.31 3g4i h GLN 535 N 0.03 0.87 -0.49 3.45 1.08 -0.93 -0.45 115.11 118.67 3g4i h GLN 535 Ca -0.00 -0.45 -0.13 0.00 -1.45 0.00 0.00 58.65 56.62 3g4i h GLN 535 Cb 0.75 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.18 3g4i h GLN 535 CO 0.06 1.09 -0.19 0.28 -0.95 0.00 0.00 178.83 179.12 3g4i h VAL 536 N 0.71 1.27 -0.58 -0.54 2.07 -1.40 -0.83 116.25 116.95 3g4i h VAL 536 Ca 0.06 -1.35 -0.09 0.00 0.82 0.00 0.00 66.70 66.14 3g4i h VAL 536 Cb 0.96 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.80 3g4i h VAL 536 CO 0.09 0.47 0.01 1.23 0.02 0.00 0.00 177.57 179.39 3g4i h GLY 537 N 0.90 1.08 1.00 2.17 0.00 -1.32 0.88 103.07 107.77 3g4i h GLY 537 Ca 0.12 -0.77 0.00 0.00 0.00 0.00 0.00 47.33 46.68 3g4i h GLY 537 CO 0.06 0.71 0.09 -2.75 0.00 0.00 0.00 176.54 174.65 3g4i h PHE 538 N 0.92 0.18 0.10 5.60 3.57 -0.92 -0.06 116.94 126.34 3g4i h PHE 538 Ca 0.17 0.00 -0.00 0.00 3.53 0.00 0.00 57.97 61.67 3g4i h PHE 538 Cb 0.52 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.20 3g4i h PHE 538 CO 0.03 0.12 -0.05 0.82 -2.23 0.00 0.00 178.31 177.01 3g4i h ILE 539 N 0.19 0.96 -0.70 1.41 2.04 -1.02 -1.33 117.51 119.07 3g4i h ILE 539 Ca 0.05 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.66 3g4i h ILE 539 Cb -0.02 1.11 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 3g4i h ILE 539 CO -0.01 0.05 0.32 0.44 0.00 0.00 0.00 178.15 178.95 3g4i h ASP 540 N -0.24 0.92 0.00 1.72 3.32 -0.67 0.15 116.42 121.62 3g4i h ASP 540 Ca -0.01 -0.11 -0.12 0.00 0.02 0.00 0.00 57.03 56.81 3g4i h ASP 540 Cb 0.19 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 3g4i h ASP 540 CO 0.02 0.79 -2.10 -1.22 -1.72 0.00 0.00 179.24 175.02 3g4i n TYR 541 N -4.32 0.00 0.07 4.55 4.02 -0.05 -4.54 117.16 116.89 3g4i n TYR 541 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.96 3g4i n TYR 541 Cb 0.15 -0.64 0.00 0.00 -0.02 0.00 0.00 39.34 38.82 3g4i n TYR 541 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3g4i n ILE 542 N -2.40 1.04 0.01 -0.72 5.41 -0.60 -4.77 119.36 117.34 3g4i n ILE 542 Ca -0.13 0.34 -0.13 0.00 1.00 0.00 0.00 62.75 63.84 3g4i n ILE 542 Cb 0.74 -1.42 -0.10 0.00 -0.71 0.00 0.00 39.64 38.16 3g4i n ILE 542 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3g4i h VAL 543 N 0.00 1.25 -0.09 1.39 2.07 -1.23 -2.59 116.25 117.05 3g4i h VAL 543 Ca 0.00 -1.18 -0.00 0.00 0.82 0.00 0.00 66.70 66.34 3g4i h VAL 543 Cb 0.00 2.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 3g4i h VAL 543 CO 0.00 0.29 0.05 -0.74 0.02 0.00 0.00 177.57 177.18 3g4i h HIS 544 N -0.63 0.13 -0.88 1.57 -0.00 -0.94 -0.05 115.15 114.34 3g4i h HIS 544 Ca -0.01 -0.00 0.16 0.00 -0.00 0.00 0.00 60.37 60.52 3g4i h HIS 544 Cb 0.54 -0.04 -0.10 0.00 -0.00 0.00 0.00 27.41 27.80 3g4i h HIS 544 CO 0.10 0.18 0.46 -1.35 -0.00 0.00 0.00 177.93 177.32 3g4i h PRO 545 N 0.04 0.60 0.56 5.26 0.11 -1.75 0.20 132.00 137.01 3g4i h PRO 545 Ca 0.03 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3g4i h PRO 545 Cb 0.10 -0.14 0.01 0.00 0.11 0.00 0.00 31.00 31.08 3g4i h PRO 545 CO -0.00 0.40 -0.27 1.25 -0.21 0.00 0.00 178.00 179.17 3g4i h LEU 546 N 0.62 -0.63 -1.00 2.35 5.85 -1.03 -2.82 115.31 118.64 3g4i h LEU 546 Ca 0.50 -0.04 -0.08 0.00 0.84 0.00 0.00 57.88 59.09 3g4i h LEU 546 Cb 0.75 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.93 3g4i h LEU 546 CO -0.39 -0.31 -0.18 -0.50 -0.34 0.00 0.00 178.44 176.72 3g4i h TRP 547 N -0.97 0.56 -0.93 1.25 4.06 -0.83 -0.52 115.95 118.57 3g4i h TRP 547 Ca -0.08 -0.10 0.01 0.00 2.06 0.00 0.00 58.89 60.79 3g4i h TRP 547 Cb 0.64 -0.14 -0.05 0.00 -1.00 0.00 0.00 29.16 28.61 3g4i h TRP 547 CO -0.00 0.66 0.61 1.49 -3.56 0.00 0.00 178.44 177.65 3g4i h GLU 548 N 0.46 1.20 -0.12 0.49 4.81 -0.69 0.31 114.58 121.04 3g4i h GLU 548 Ca 0.08 -0.07 -0.16 0.00 -0.13 0.00 0.00 59.36 59.08 3g4i h GLU 548 Cb 0.58 -0.27 0.01 0.00 0.63 0.00 0.00 28.75 29.70 3g4i h GLU 548 CO 0.04 0.79 -0.54 1.15 -0.73 0.00 0.00 179.01 179.73 3g4i h THR 549 N 1.24 1.35 -0.21 0.32 2.02 -1.11 -1.91 112.91 114.60 3g4i h THR 549 Ca 0.34 -1.83 0.04 0.00 0.77 0.00 0.00 66.41 65.73 3g4i h THR 549 Cb -0.12 2.13 -0.04 0.00 -1.74 0.00 0.00 68.15 68.39 3g4i h THR 549 CO -0.08 0.56 -0.04 -0.25 0.37 0.00 0.00 175.52 176.08 3g4i h TRP 550 N 0.20 -0.08 -0.72 3.16 2.91 -0.93 -1.43 115.95 119.06 3g4i h TRP 550 Ca -0.03 0.02 0.16 0.00 1.13 0.00 0.00 58.89 60.16 3g4i h TRP 550 Cb 1.18 0.07 -0.11 0.00 -0.51 0.00 0.00 29.16 29.78 3g4i h TRP 550 CO 0.11 -0.07 0.11 0.00 -1.03 0.00 0.00 178.44 177.56 3g4i h ALA 551 N 1.21 0.87 -0.65 2.65 0.00 -0.31 -0.47 119.26 122.55 3g4i h ALA 551 Ca 0.10 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 3g4i h ALA 551 Cb 0.15 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.20 3g4i h ALA 551 CO -0.21 -0.37 0.36 -0.44 0.00 0.00 0.00 179.25 178.59 3g4i h ASP 552 N 0.20 0.80 -0.80 0.00 3.32 -0.95 0.12 116.42 119.12 3g4i h ASP 552 Ca 0.40 -0.09 0.01 0.00 0.02 0.00 0.00 57.03 57.38 3g4i h ASP 552 Cb 0.69 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 3g4i h ASP 552 CO -0.55 0.66 0.52 0.25 -1.72 0.00 0.00 179.24 178.40 3g4i h LEU 553 N 0.88 0.90 -3.45 1.55 5.85 -0.04 -2.97 115.31 118.02 3g4i h LEU 553 Ca 0.23 -0.02 -0.11 0.00 0.84 0.00 0.00 57.88 58.82 3g4i h LEU 553 Cb 0.03 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.78 3g4i h LEU 553 CO -0.04 0.64 0.08 1.33 -0.34 0.00 0.00 178.44 180.11 3g4i n VAL 554 N -4.55 2.59 -1.60 1.05 0.24 -0.57 -4.98 118.33 110.51 3g4i n VAL 554 Ca 0.08 -1.96 -0.50 0.00 -2.04 0.00 0.00 64.34 59.93 3g4i n VAL 554 Cb 0.04 -0.31 -0.05 0.00 -1.47 0.00 0.00 33.84 32.05 3g4i n VAL 554 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3g4i n HIS 555 N -0.48 1.60 -0.87 6.34 -0.00 0.02 -0.39 115.22 121.44 3g4i n HIS 555 Ca 0.31 0.59 0.08 0.00 -0.00 0.00 0.00 57.72 58.69 3g4i n HIS 555 Cb 1.10 -2.35 0.38 0.00 -0.00 0.00 0.00 29.99 29.12 3g4i n HIS 555 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3g4i n PRO 556 N 2.39 4.49 -0.08 1.57 -0.04 -1.26 -4.98 135.00 137.09 3g4i n PRO 556 Ca 0.17 -3.08 0.16 0.00 -0.04 0.00 0.00 63.50 60.71 3g4i n PRO 556 Cb 0.23 -2.16 0.58 0.00 -0.04 0.00 0.00 33.50 32.11 3g4i n PRO 556 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3g4i h ASP 557 N 3.74 0.22 -0.65 3.54 3.32 -1.00 -2.69 116.42 122.91 3g4i h ASP 557 Ca 0.00 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3g4i h ASP 557 Cb 1.83 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 41.35 3g4i h ASP 557 CO 0.42 0.12 0.00 0.00 -1.72 0.00 0.00 179.24 178.06 3g4i n ALA 558 N -2.57 3.22 -0.18 3.45 0.00 -1.26 -4.63 120.51 118.54 3g4i n ALA 558 Ca 0.11 -1.66 -0.04 0.00 0.00 0.00 0.00 53.44 51.85 3g4i n ALA 558 Cb 0.52 -1.04 0.06 0.00 0.00 0.00 0.00 19.45 18.99 3g4i n ALA 558 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3g4i h GLN 559 N 4.13 0.52 -0.52 0.00 5.75 -1.84 -1.54 115.11 121.61 3g4i h GLN 559 Ca 0.00 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.40 3g4i h GLN 559 Cb 1.55 -0.12 -0.02 0.00 1.07 0.00 0.00 27.48 29.96 3g4i h GLN 559 CO 0.28 0.35 0.04 -0.44 -2.65 0.00 0.00 178.83 176.40 3g4i h ASP 560 N 0.54 0.82 -0.16 -0.69 3.32 -1.86 -0.67 116.42 117.72 3g4i h ASP 560 Ca 0.23 -0.19 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 3g4i h ASP 560 Cb 0.13 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.46 3g4i h ASP 560 CO -0.16 0.86 0.09 0.40 -1.72 0.00 0.00 179.24 178.72 3g4i h ILE 561 N 0.81 1.09 -0.93 0.35 2.04 -1.80 -1.43 117.51 117.63 3g4i h ILE 561 Ca 0.16 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.79 3g4i h ILE 561 Cb 0.43 0.96 -0.05 0.00 -0.74 0.00 0.00 36.82 37.42 3g4i h ILE 561 CO 0.02 0.08 0.57 0.25 0.00 0.00 0.00 178.15 179.07 3g4i h LEU 562 N 0.16 1.11 -0.43 1.44 5.85 -0.96 -1.57 115.31 120.92 3g4i h LEU 562 Ca 0.06 -0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.69 3g4i h LEU 562 Cb 0.05 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.78 3g4i h LEU 562 CO -0.01 0.85 0.18 0.44 -0.34 0.00 0.00 178.44 179.56 3g4i h ASP 563 N 1.29 0.58 -0.60 1.25 3.32 -0.92 -1.68 116.42 119.65 3g4i h ASP 563 Ca 0.34 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 57.21 3g4i h ASP 563 Cb -0.07 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.30 3g4i h ASP 563 CO -0.06 0.58 0.30 0.74 -1.72 0.00 0.00 179.24 179.08 3g4i h THR 564 N 0.55 1.21 -0.49 0.35 2.02 -0.91 -1.28 112.91 114.37 3g4i h THR 564 Ca 0.15 -0.57 0.06 0.00 0.77 0.00 0.00 66.41 66.82 3g4i h THR 564 Cb 0.17 0.47 -0.05 0.00 -1.74 0.00 0.00 68.15 66.99 3g4i h THR 564 CO -0.01 0.23 0.18 0.25 0.37 0.00 0.00 175.52 176.54 3g4i h LEU 565 N 0.82 0.20 -0.72 2.58 5.85 -1.05 0.12 115.31 123.12 3g4i h LEU 565 Ca 0.21 0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.93 3g4i h LEU 565 Cb 0.10 0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.13 3g4i h LEU 565 CO -0.03 0.15 0.24 -0.33 -0.34 0.00 0.00 178.44 178.12 3g4i h GLU 566 N 0.37 1.11 -0.52 1.25 5.08 -1.10 -0.35 114.58 120.42 3g4i h GLU 566 Ca 0.23 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.33 3g4i h GLU 566 Cb 0.23 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 3g4i h GLU 566 CO -0.23 0.94 0.22 -0.44 -1.00 0.00 0.00 179.01 178.51 3g4i h ASP 567 N 1.05 0.71 -0.28 1.42 3.32 -0.67 -2.66 116.42 119.32 3g4i h ASP 567 Ca 0.23 -0.16 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 3g4i h ASP 567 Cb 0.29 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 3g4i h ASP 567 CO -0.01 0.67 -0.13 0.78 -1.72 0.00 0.00 179.24 178.83 3g4i h ASN 568 N 0.70 0.69 -0.82 6.45 2.35 -0.59 -2.32 115.58 122.04 3g4i h ASN 568 Ca 0.18 -0.21 0.05 0.00 -0.55 0.00 0.00 56.30 55.77 3g4i h ASN 568 Cb 0.18 -0.19 -0.06 0.00 0.05 0.00 0.00 38.32 38.31 3g4i h ASN 568 CO -0.02 0.84 0.51 -0.09 -1.65 0.00 0.00 177.43 177.03 3g4i h ARG 569 N 0.63 0.93 -0.17 0.81 1.12 -0.94 -2.22 114.38 114.54 3g4i h ARG 569 Ca 0.11 -0.06 -0.17 0.00 -1.11 0.00 0.00 59.98 58.75 3g4i h ARG 569 Cb 0.59 -0.21 -0.00 0.00 -0.01 0.00 0.00 29.97 30.33 3g4i h ARG 569 CO 0.04 0.61 -0.60 0.93 -3.11 0.00 0.00 179.97 177.84 3g4i h GLU 570 N 0.95 0.56 -0.07 0.20 4.39 -1.22 -2.03 114.58 117.37 3g4i h GLU 570 Ca 0.35 -0.38 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 3g4i h GLU 570 Cb 0.12 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 28.82 3g4i h GLU 570 CO -0.15 1.00 0.04 2.35 -1.16 0.00 0.00 179.01 181.09 3g4i h TRP 571 N 0.42 0.10 -0.64 4.33 7.01 -1.09 -2.06 115.95 124.02 3g4i h TRP 571 Ca -0.00 -0.00 -0.04 0.00 2.11 0.00 0.00 58.89 60.95 3g4i h TRP 571 Cb 1.17 -0.03 -0.03 0.00 -2.10 0.00 0.00 29.16 28.17 3g4i h TRP 571 CO 0.05 0.14 0.24 1.88 -2.79 0.00 0.00 178.44 177.96 3g4i h TYR 572 N 0.03 0.99 -0.97 2.65 0.05 -1.43 -2.63 116.97 115.66 3g4i h TYR 572 Ca 0.03 -0.08 0.19 0.00 0.05 0.00 0.00 58.73 58.92 3g4i h TYR 572 Cb 0.07 -0.29 -0.11 0.00 1.01 0.00 0.00 36.73 37.41 3g4i h TYR 572 CO -0.05 0.79 0.56 0.37 -1.05 0.00 0.00 178.16 178.78 3g4i h GLN 573 N 0.90 0.66 0.00 4.88 5.75 -1.23 -0.64 115.11 125.43 3g4i h GLN 573 Ca 0.21 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.67 3g4i h GLN 573 Cb 0.23 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 28.63 3g4i h GLN 573 CO -0.01 0.44 0.00 -1.13 -2.65 0.00 0.00 178.83 175.47 3g4i n SER 574 N -4.83 0.04 -0.99 -0.69 3.41 -0.79 -2.82 113.62 106.96 3g4i n SER 574 Ca 0.23 0.51 0.11 0.00 -0.26 0.00 0.00 58.87 59.46 3g4i n SER 574 Cb 0.58 -0.52 0.13 0.00 -0.26 0.00 0.00 64.21 64.15 3g4i n SER 574 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3g4i n THR 575 N -1.54 0.18 -2.43 6.66 -1.04 -0.26 -4.96 114.28 110.88 3g4i n THR 575 Ca 0.06 -0.59 -0.42 0.00 -2.04 0.00 0.00 64.05 61.05 3g4i n THR 575 Cb 0.30 1.30 -0.03 0.00 -1.82 0.00 0.00 70.33 70.08 3g4i n THR 575 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3g4i s ILE 576 N -1.74 4.23 1.14 12.58 1.01 -1.12 -4.88 121.20 132.41 3g4i s ILE 576 Ca 0.30 1.54 -0.12 0.00 0.00 0.00 0.00 60.65 62.37 3g4i s ILE 576 Cb 0.20 -3.99 0.27 0.00 0.01 0.00 0.00 42.46 38.95 3g4i s ILE 576 CO 0.29 -0.05 1.04 -2.16 0.00 0.00 0.00 174.94 174.07 3g4i s PRO 577 N 2.69 -0.70 0.00 2.79 0.04 -1.26 -5.06 135.00 133.50 3g4i s PRO 577 Ca 0.56 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.51 3g4i s PRO 577 Cb -0.24 -1.57 0.00 0.00 0.04 0.00 0.00 34.50 32.73 3g4i s PRO 577 CO 0.20 -3.60 0.00 0.94 0.04 0.00 0.00 177.00 174.58