#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g4k h GLN 254 N 0.00 0.00 -1.07 3.44 4.15 -2.02 -3.12 115.11 116.49 3g4k h GLN 254 Ca 0.00 0.00 0.29 0.00 0.77 0.00 0.00 58.65 59.71 3g4k h GLN 254 Cb 0.00 0.00 -0.09 0.00 0.21 0.00 0.00 27.48 27.60 3g4k h GLN 254 CO 0.00 0.24 0.70 1.49 -1.93 0.00 0.00 178.83 179.33 3g4k h GLU 255 N 0.00 0.32 -0.39 1.69 4.81 -1.99 -2.26 114.58 116.76 3g4k h GLU 255 Ca -0.00 -0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.13 3g4k h GLU 255 Cb 1.08 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 3g4k h GLU 255 CO 0.03 0.21 -0.06 -0.44 -0.73 0.00 0.00 179.01 178.03 3g4k h ASP 256 N 0.33 0.72 -0.34 1.04 3.32 -1.98 -1.10 116.42 118.41 3g4k h ASP 256 Ca 0.61 -0.34 -0.10 0.00 0.02 0.00 0.00 57.03 57.22 3g4k h ASP 256 Cb 1.66 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 41.01 3g4k h ASP 256 CO -0.28 0.89 -0.18 0.58 -1.72 0.00 0.00 179.24 178.53 3g4k h VAL 257 N 0.54 1.29 -0.17 -1.35 2.07 -1.60 -2.44 116.25 114.58 3g4k h VAL 257 Ca 0.10 -1.30 -0.00 0.00 0.82 0.00 0.00 66.70 66.32 3g4k h VAL 257 Cb 0.56 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 31.71 3g4k h VAL 257 CO 0.03 0.43 0.10 0.25 0.02 0.00 0.00 177.57 178.40 3g4k h LEU 258 N 0.50 0.21 -0.90 2.57 6.46 -1.43 0.34 115.31 123.07 3g4k h LEU 258 Ca 0.07 -0.06 0.18 0.00 -0.12 0.00 0.00 57.88 57.95 3g4k h LEU 258 Cb 0.72 -0.05 -0.11 0.00 -0.73 0.00 0.00 40.66 40.49 3g4k h LEU 258 CO 0.05 0.21 0.47 0.00 -0.62 0.00 0.00 178.44 178.55 3g4k h ALA 259 N 1.01 1.42 -0.12 1.25 0.00 -1.18 0.12 119.26 121.75 3g4k h ALA 259 Ca 0.06 0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3g4k h ALA 259 Cb 0.05 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3g4k h ALA 259 CO -0.01 -0.15 -0.24 0.87 0.00 0.00 0.00 179.25 179.72 3g4k h LYS 260 N 0.60 0.38 -0.93 0.00 1.57 -0.89 -3.02 116.57 114.28 3g4k h LYS 260 Ca 0.52 -0.24 0.10 0.00 -1.87 0.00 0.00 60.65 59.16 3g4k h LYS 260 Cb 0.83 0.03 -0.08 0.00 0.08 0.00 0.00 32.23 33.09 3g4k h LYS 260 CO -0.41 0.84 0.57 0.93 -0.57 0.00 0.00 179.45 180.81 3g4k h GLU 261 N -0.03 0.91 0.00 3.15 4.39 -0.33 -1.94 114.58 120.72 3g4k h GLU 261 Ca 0.01 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.65 3g4k h GLU 261 Cb 0.82 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 29.27 3g4k h GLU 261 CO 0.05 0.60 0.00 1.28 -1.16 0.00 0.00 179.01 179.79 3g4k n LEU 262 N -4.65 0.27 0.11 1.33 4.77 0.37 -2.07 117.00 117.13 3g4k n LEU 262 Ca 0.16 0.57 0.11 0.00 -0.03 0.00 0.00 56.01 56.83 3g4k n LEU 262 Cb 0.30 -0.55 0.46 0.00 -2.33 0.00 0.00 43.42 41.31 3g4k n LEU 262 CO 0.28 -0.43 0.84 -0.62 -1.33 0.00 0.00 177.39 176.13 3g4k n GLU 263 N -1.81 0.17 -0.15 3.23 1.02 -0.73 -1.80 120.64 120.57 3g4k n GLU 263 Ca 0.02 0.39 0.07 0.00 -0.02 0.00 0.00 57.16 57.63 3g4k n GLU 263 Cb 0.17 -1.82 0.22 0.00 -0.02 0.00 0.00 31.44 29.99 3g4k n GLU 263 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3g4k n ASP 264 N -2.13 1.83 0.11 1.62 8.00 -0.88 -4.53 116.55 120.57 3g4k n ASP 264 Ca 0.02 -1.91 0.16 0.00 0.71 0.00 0.00 54.79 53.77 3g4k n ASP 264 Cb 0.22 -0.20 0.69 0.00 -0.02 0.00 0.00 41.12 41.81 3g4k n ASP 264 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3g4k h VAL 265 N 2.11 0.79 -0.35 2.53 2.07 -1.56 0.22 116.25 122.06 3g4k h VAL 265 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3g4k h VAL 265 Cb 0.48 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 3g4k h VAL 265 CO 0.00 0.00 0.00 0.59 0.02 0.00 0.00 177.57 178.18 3g4k n ASN 266 N -4.36 1.97 -4.47 0.57 3.02 -1.26 -4.78 115.26 105.94 3g4k n ASN 266 Ca 0.05 -2.03 -0.33 0.00 -0.03 0.00 0.00 54.58 52.24 3g4k n ASN 266 Cb 0.40 -0.26 -0.13 0.00 -0.61 0.00 0.00 39.78 39.19 3g4k n ASN 266 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 3g4k s LYS 267 N -1.55 3.05 -0.00 3.52 1.02 0.77 -4.87 119.74 121.67 3g4k s LYS 267 Ca 0.24 -0.63 -0.30 0.00 0.02 0.00 0.00 55.97 55.30 3g4k s LYS 267 Cb 0.13 -2.60 -0.07 0.00 -0.52 0.00 0.00 37.83 34.76 3g4k s LYS 267 CO 0.15 0.44 1.74 -0.46 -0.92 0.00 0.00 175.35 176.30 3g4k s TRP 268 N -0.22 1.90 0.00 3.18 -0.11 -1.26 -2.94 118.94 119.48 3g4k s TRP 268 Ca 0.02 0.05 0.00 0.00 1.22 0.00 0.00 56.10 57.39 3g4k s TRP 268 Cb -0.13 -4.01 0.00 0.00 -1.50 0.00 0.00 33.47 27.83 3g4k s TRP 268 CO 0.03 -4.31 0.00 0.41 -4.62 0.00 0.00 176.95 168.46 3g4k n GLY 269 N 4.21 1.29 3.39 5.86 0.00 -1.26 -4.95 105.19 113.73 3g4k n GLY 269 Ca 0.18 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.74 3g4k n GLY 269 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 3g4k n LEU 270 N 0.00 -1.30 -3.75 0.99 7.94 -1.15 -4.81 117.00 114.92 3g4k n LEU 270 Ca 0.00 1.03 -0.42 0.00 -1.11 0.00 0.00 56.01 55.51 3g4k n LEU 270 Cb 0.00 -0.98 -0.00 0.00 0.53 0.00 0.00 43.42 42.97 3g4k n LEU 270 CO 0.00 -3.16 2.45 1.41 -1.11 0.00 0.00 177.39 176.98 3g4k n HIS 271 N -0.33 3.22 -0.28 1.96 8.25 -1.26 -4.77 115.22 122.02 3g4k n HIS 271 Ca 0.15 -2.91 -0.03 0.00 -0.26 0.00 0.00 57.72 54.67 3g4k n HIS 271 Cb 0.31 -2.31 0.13 0.00 1.12 0.00 0.00 29.99 29.24 3g4k n HIS 271 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 3g4k h VAL 272 N 3.80 1.24 -0.77 1.59 3.04 -1.98 -1.26 116.25 121.92 3g4k h VAL 272 Ca 0.53 -0.65 -0.03 0.00 -1.01 0.00 0.00 66.70 65.54 3g4k h VAL 272 Cb 0.61 0.18 -0.03 0.00 -2.01 0.00 0.00 31.29 30.03 3g4k h VAL 272 CO 1.78 0.28 0.36 -0.26 -1.01 0.00 0.00 177.57 178.72 3g4k h PHE 273 N 1.14 1.12 -0.56 3.17 0.04 -1.96 0.10 116.94 119.98 3g4k h PHE 273 Ca 0.28 -0.06 -0.05 0.00 2.80 0.00 0.00 57.97 60.94 3g4k h PHE 273 Cb 0.07 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 37.86 3g4k h PHE 273 CO 0.01 0.82 0.16 0.00 -0.60 0.00 0.00 178.31 178.71 3g4k h ARG 274 N 1.08 0.88 -0.92 1.51 2.47 -1.84 -1.88 114.38 115.68 3g4k h ARG 274 Ca 0.26 -0.20 0.06 0.00 -1.26 0.00 0.00 59.98 58.84 3g4k h ARG 274 Cb 0.14 -0.12 -0.06 0.00 -1.65 0.00 0.00 29.97 28.27 3g4k h ARG 274 CO -0.03 0.80 0.59 0.82 0.56 0.00 0.00 179.97 182.71 3g4k h ILE 275 N 0.79 1.08 -0.43 2.04 2.04 -0.70 0.15 117.51 122.47 3g4k h ILE 275 Ca 0.18 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.67 3g4k h ILE 275 Cb 0.30 -0.10 -0.02 0.00 -0.74 0.00 0.00 36.82 36.26 3g4k h ILE 275 CO -0.00 0.20 0.28 0.00 0.00 0.00 0.00 178.15 178.63 3g4k h ALA 276 N 1.42 0.55 0.28 1.87 0.00 -0.41 -0.10 119.26 122.87 3g4k h ALA 276 Ca 0.40 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 3g4k h ALA 276 Cb 0.14 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.76 3g4k h ALA 276 CO -0.16 -0.00 -0.13 0.93 0.00 0.00 0.00 179.25 179.88 3g4k h GLU 277 N 0.58 -0.36 -0.30 0.00 5.08 -0.80 0.25 114.58 119.04 3g4k h GLU 277 Ca 0.16 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.54 3g4k h GLU 277 Cb -0.06 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 3g4k h GLU 277 CO -0.04 -0.12 0.15 -0.07 -1.00 0.00 0.00 179.01 177.94 3g4k h LEU 278 N -0.56 0.35 -0.29 1.33 3.38 -0.58 -2.38 115.31 116.55 3g4k h LEU 278 Ca -0.04 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.91 3g4k h LEU 278 Cb 0.41 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3g4k h LEU 278 CO 0.06 0.30 -0.04 -1.54 0.09 0.00 0.00 178.44 177.31 3g4k n SER 279 N -4.45 0.50 -1.58 -0.43 3.41 -0.06 -4.91 113.62 106.10 3g4k n SER 279 Ca 0.01 -0.90 -0.07 0.00 -0.26 0.00 0.00 58.87 57.66 3g4k n SER 279 Cb 0.10 -0.04 0.03 0.00 -0.26 0.00 0.00 64.21 64.04 3g4k n SER 279 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g4k n GLY 280 N 1.16 0.39 3.43 5.00 0.00 -0.90 -3.57 105.19 110.70 3g4k n GLY 280 Ca 0.19 -0.35 -0.20 0.00 0.00 0.00 0.00 46.02 45.65 3g4k n GLY 280 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3g4k n ASN 281 N -0.44 -4.43 -2.24 1.61 5.15 0.87 -4.97 115.26 110.82 3g4k n ASN 281 Ca -0.02 -0.55 -0.20 0.00 -0.60 0.00 0.00 54.58 53.21 3g4k n ASN 281 Cb 0.53 -4.88 0.02 0.00 -0.53 0.00 0.00 39.78 34.92 3g4k n ASN 281 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 3g4k n ARG 282 N -4.47 3.19 -0.23 1.20 5.12 -1.23 -4.89 116.66 115.35 3g4k n ARG 282 Ca -0.11 -4.08 -0.02 0.00 -1.93 0.00 0.00 57.85 51.71 3g4k n ARG 282 Cb 0.60 -2.13 0.17 0.00 -1.16 0.00 0.00 32.46 29.94 3g4k n ARG 282 CO 0.00 0.00 0.00 -1.00 -1.93 0.00 0.00 177.63 174.70 3g4k h PRO 283 N 2.34 1.03 -0.41 5.56 0.13 -1.82 -0.86 132.00 137.97 3g4k h PRO 283 Ca 0.26 -0.14 -0.10 0.00 -0.87 0.00 0.00 66.00 65.15 3g4k h PRO 283 Cb 1.40 -0.19 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 3g4k h PRO 283 CO 0.67 0.79 -0.15 1.25 -0.23 0.00 0.00 178.00 180.33 3g4k h LEU 284 N 1.03 0.84 -0.18 1.56 5.85 -1.91 -0.86 115.31 121.64 3g4k h LEU 284 Ca 0.25 -0.38 -0.04 0.00 0.84 0.00 0.00 57.88 58.55 3g4k h LEU 284 Cb 0.09 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.88 3g4k h LEU 284 CO -0.03 1.03 -0.04 0.74 -0.34 0.00 0.00 178.44 179.80 3g4k h THR 285 N 0.64 1.28 -0.21 1.05 2.02 -1.77 -0.67 112.91 115.25 3g4k h THR 285 Ca 0.10 -1.00 -0.05 0.00 0.77 0.00 0.00 66.41 66.23 3g4k h THR 285 Cb 0.69 1.57 -0.01 0.00 -1.74 0.00 0.00 68.15 68.67 3g4k h THR 285 CO 0.05 0.30 -0.05 0.58 0.37 0.00 0.00 175.52 176.77 3g4k h VAL 286 N 0.07 1.29 -0.48 3.16 2.07 -1.16 -1.18 116.25 120.01 3g4k h VAL 286 Ca 0.05 -1.04 -0.10 0.00 0.82 0.00 0.00 66.70 66.42 3g4k h VAL 286 Cb 0.47 1.54 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 3g4k h VAL 286 CO 0.02 0.32 -0.08 0.40 0.02 0.00 0.00 177.57 178.24 3g4k h ILE 287 N 0.14 1.27 -0.65 4.57 2.04 -1.20 -1.00 117.51 122.67 3g4k h ILE 287 Ca 0.05 -1.20 -0.05 0.00 1.00 0.00 0.00 64.86 64.66 3g4k h ILE 287 Cb 0.51 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 3g4k h ILE 287 CO 0.02 0.42 0.21 0.24 0.00 0.00 0.00 178.15 179.04 3g4k h MET 288 N 0.76 1.01 -0.54 2.37 2.86 -1.11 -0.90 114.93 119.38 3g4k h MET 288 Ca 0.13 -0.22 -0.04 0.00 -2.06 0.00 0.00 59.70 57.51 3g4k h MET 288 Cb 0.63 -0.15 -0.02 0.00 0.06 0.00 0.00 31.60 32.11 3g4k h MET 288 CO 0.04 0.88 0.20 1.25 1.06 0.00 0.00 176.91 180.34 3g4k h HIS 289 N 0.95 0.85 -0.26 -0.22 -0.00 -1.06 0.14 115.15 115.55 3g4k h HIS 289 Ca 0.21 -0.07 -0.01 0.00 -0.00 0.00 0.00 60.37 60.50 3g4k h HIS 289 Cb 0.29 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.44 3g4k h HIS 289 CO 0.02 0.71 0.13 1.15 -0.00 0.00 0.00 177.93 179.94 3g4k h THR 290 N 0.75 1.14 -0.50 6.26 2.02 -1.07 -1.59 112.91 119.91 3g4k h THR 290 Ca 0.18 -0.38 -0.09 0.00 0.77 0.00 0.00 66.41 66.89 3g4k h THR 290 Cb 0.24 0.92 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 3g4k h THR 290 CO -0.01 0.14 -0.04 0.40 0.37 0.00 0.00 175.52 176.38 3g4k h ILE 291 N 0.29 1.27 -0.43 3.11 2.04 -0.97 0.23 117.51 123.05 3g4k h ILE 291 Ca 0.09 -1.14 0.01 0.00 1.00 0.00 0.00 64.86 64.81 3g4k h ILE 291 Cb 0.10 0.99 -0.02 0.00 -0.74 0.00 0.00 36.82 37.15 3g4k h ILE 291 CO -0.01 0.40 0.28 -0.26 0.00 0.00 0.00 178.15 178.56 3g4k h PHE 292 N 0.77 0.53 0.01 1.37 -1.00 -0.92 0.89 116.94 118.60 3g4k h PHE 292 Ca 0.14 0.01 -0.00 0.00 2.81 0.00 0.00 57.97 60.93 3g4k h PHE 292 Cb 0.57 -0.18 0.00 0.00 3.61 0.00 0.00 35.95 39.95 3g4k h PHE 292 CO 0.04 0.33 -0.01 1.96 -1.61 0.00 0.00 178.31 179.03 3g4k h GLN 293 N 0.57 -0.02 -0.96 1.51 1.08 -1.11 0.99 115.11 117.18 3g4k h GLN 293 Ca 0.16 0.00 0.11 0.00 -1.45 0.00 0.00 58.65 57.47 3g4k h GLN 293 Cb -0.06 0.00 -0.08 0.00 -0.05 0.00 0.00 27.48 27.30 3g4k h GLN 293 CO -0.04 0.08 0.59 1.49 -0.95 0.00 0.00 178.83 179.99 3g4k h GLU 294 N -0.11 0.92 -0.19 1.46 4.57 -0.76 -0.70 114.58 119.77 3g4k h GLU 294 Ca -0.00 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.12 3g4k h GLU 294 Cb 0.10 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.48 3g4k h GLU 294 CO 0.00 0.61 0.00 0.54 -1.18 0.00 0.00 179.01 178.98 3g4k n ARG 295 N -4.65 1.92 -2.98 1.92 1.74 0.29 -4.95 116.66 109.95 3g4k n ARG 295 Ca 0.17 -1.38 -0.21 0.00 -0.77 0.00 0.00 57.85 55.66 3g4k n ARG 295 Cb 0.33 -1.43 0.02 0.00 -1.02 0.00 0.00 32.46 30.35 3g4k n ARG 295 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3g4k n ASP 296 N 0.61 -5.26 0.17 0.55 2.03 -0.15 -4.89 116.55 109.61 3g4k n ASP 296 Ca 0.17 -0.23 0.02 0.00 0.52 0.00 0.00 54.79 55.26 3g4k n ASP 296 Cb 0.41 -4.30 0.28 0.00 -0.72 0.00 0.00 41.12 36.78 3g4k n ASP 296 CO 0.00 0.00 0.00 -0.07 -1.92 0.00 0.00 177.20 175.21 3g4k h LEU 297 N -0.99 0.00 -0.05 -2.67 3.38 -1.14 -1.89 115.31 111.95 3g4k h LEU 297 Ca -0.48 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.49 3g4k h LEU 297 Cb 1.33 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.08 3g4k h LEU 297 CO 0.54 0.48 0.01 -0.07 0.09 0.00 0.00 178.44 179.49 3g4k h LEU 298 N 0.00 0.08 0.06 1.67 4.07 -1.87 -1.69 115.31 117.62 3g4k h LEU 298 Ca -0.00 -0.26 -0.00 0.00 0.08 0.00 0.00 57.88 57.69 3g4k h LEU 298 Cb 0.92 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.64 3g4k h LEU 298 CO 0.06 0.32 -0.03 0.11 -1.08 0.00 0.00 178.44 177.82 3g4k h LYS 299 N -0.16 -0.07 -0.74 1.13 1.57 -1.85 0.24 116.57 116.69 3g4k h LYS 299 Ca 0.02 0.00 0.15 0.00 -1.87 0.00 0.00 60.65 58.95 3g4k h LYS 299 Cb 0.27 0.02 -0.10 0.00 0.08 0.00 0.00 32.23 32.50 3g4k h LYS 299 CO 0.00 0.23 0.23 1.15 -0.57 0.00 0.00 179.45 180.49 3g4k h THR 300 N -0.38 0.58 -0.38 -0.16 2.02 -1.36 -2.74 112.91 110.49 3g4k h THR 300 Ca -0.01 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.06 3g4k h THR 300 Cb 0.34 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.95 3g4k h THR 300 CO 0.01 0.06 0.00 0.49 0.37 0.00 0.00 175.52 176.46 3g4k n PHE 301 N -5.09 0.75 -3.92 3.16 3.72 -0.64 -4.98 117.46 110.47 3g4k n PHE 301 Ca 0.14 -0.62 -0.25 0.00 -0.05 0.00 0.00 57.45 56.67 3g4k n PHE 301 Cb 0.44 -0.14 -0.01 0.00 -0.94 0.00 0.00 39.48 38.83 3g4k n PHE 301 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 3g4k n LYS 302 N 0.34 -3.59 -3.13 -1.08 5.02 0.63 -4.42 118.16 111.93 3g4k n LYS 302 Ca 0.17 0.44 -0.42 0.00 -2.02 0.00 0.00 58.31 56.48 3g4k n LYS 302 Cb 0.63 -4.66 -0.07 0.00 -0.02 0.00 0.00 35.03 30.91 3g4k n LYS 302 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3g4k s ILE 303 N -3.89 4.91 0.35 -0.18 1.01 0.14 -4.61 121.20 118.94 3g4k s ILE 303 Ca 0.03 0.63 -0.29 0.00 0.00 0.00 0.00 60.65 61.02 3g4k s ILE 303 Cb -0.01 -4.04 -0.11 0.00 0.01 0.00 0.00 42.46 38.30 3g4k s ILE 303 CO 0.88 -0.26 1.53 -2.84 0.00 0.00 0.00 174.94 174.25 3g4k s PRO 304 N 2.65 4.11 0.27 2.79 0.02 -1.26 -4.77 135.00 138.80 3g4k s PRO 304 Ca 0.24 2.59 -0.03 0.00 0.02 0.00 0.00 61.00 63.82 3g4k s PRO 304 Cb -0.15 -2.98 0.35 0.00 0.02 0.00 0.00 34.50 31.74 3g4k s PRO 304 CO 0.14 -0.58 1.85 -0.24 -0.33 0.00 0.00 177.00 177.84 3g4k h VAL 305 N 3.11 1.23 -0.50 3.83 3.04 -1.97 -0.66 116.25 124.34 3g4k h VAL 305 Ca -0.50 -0.70 -0.11 0.00 -1.01 0.00 0.00 66.70 64.39 3g4k h VAL 305 Cb 1.23 0.39 -0.02 0.00 -2.01 0.00 0.00 31.29 30.89 3g4k h VAL 305 CO 0.69 0.29 -0.11 -2.24 -1.01 0.00 0.00 177.57 175.19 3g4k h ASP 306 N 0.98 0.92 -0.23 3.17 2.03 -1.97 -0.95 116.42 120.37 3g4k h ASP 306 Ca 0.23 -0.29 -0.02 0.00 -0.73 0.00 0.00 57.03 56.22 3g4k h ASP 306 Cb 0.16 -0.25 -0.01 0.00 -0.83 0.00 0.00 39.33 38.40 3g4k h ASP 306 CO -0.02 1.04 0.05 0.74 -1.03 0.00 0.00 179.24 180.02 3g4k h THR 307 N 0.83 1.22 -0.14 1.15 2.02 -1.63 0.58 112.91 116.93 3g4k h THR 307 Ca 0.13 -0.71 0.03 0.00 0.77 0.00 0.00 66.41 66.63 3g4k h THR 307 Cb 0.64 1.24 -0.03 0.00 -1.74 0.00 0.00 68.15 68.26 3g4k h THR 307 CO 0.04 0.23 -0.03 0.25 0.37 0.00 0.00 175.52 176.38 3g4k h LEU 308 N 0.20 -0.12 -0.70 2.58 5.85 -0.98 0.30 115.31 122.44 3g4k h LEU 308 Ca 0.07 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.77 3g4k h LEU 308 Cb 0.29 0.08 -0.03 0.00 0.37 0.00 0.00 40.66 41.38 3g4k h LEU 308 CO 0.00 -0.04 0.20 0.40 -0.34 0.00 0.00 178.44 178.66 3g4k h ILE 309 N 0.00 1.26 -0.46 4.05 1.08 -1.07 -0.01 117.51 122.36 3g4k h ILE 309 Ca 0.07 -0.92 -0.03 0.00 -0.39 0.00 0.00 64.86 63.59 3g4k h ILE 309 Cb 0.10 0.53 -0.02 0.00 -3.07 0.00 0.00 36.82 34.36 3g4k h ILE 309 CO -0.14 0.35 0.19 0.74 -0.69 0.00 0.00 178.15 178.60 3g4k h THR 310 N 1.03 1.20 -0.39 -0.27 2.02 -0.69 -0.65 112.91 115.17 3g4k h THR 310 Ca 0.22 -0.63 -0.02 0.00 0.77 0.00 0.00 66.41 66.75 3g4k h THR 310 Cb 0.33 0.76 -0.02 0.00 -1.74 0.00 0.00 68.15 67.48 3g4k h THR 310 CO -0.00 0.23 0.16 0.22 0.37 0.00 0.00 175.52 176.50 3g4k h TYR 311 N 0.60 0.59 -0.57 3.16 3.20 -0.74 -1.92 116.97 121.30 3g4k h TYR 311 Ca 0.15 -0.04 -0.03 0.00 3.14 0.00 0.00 58.73 61.95 3g4k h TYR 311 Cb 0.19 -0.18 -0.03 0.00 1.54 0.00 0.00 36.73 38.26 3g4k h TYR 311 CO 0.00 0.53 0.24 -0.07 -1.64 0.00 0.00 178.16 177.22 3g4k h LEU 312 N 0.48 0.77 -0.50 2.82 3.38 -0.79 0.26 115.31 121.73 3g4k h LEU 312 Ca 0.13 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3g4k h LEU 312 Cb 0.19 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 3g4k h LEU 312 CO -0.01 0.71 0.25 0.24 0.09 0.00 0.00 178.44 179.72 3g4k h MET 313 N 0.77 0.72 -0.03 1.13 2.86 -1.08 0.24 114.93 119.54 3g4k h MET 313 Ca 0.19 -0.10 0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3g4k h MET 313 Cb 0.17 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.70 3g4k h MET 313 CO -0.02 0.60 -0.01 1.15 1.06 0.00 0.00 176.91 179.69 3g4k h THR 314 N 0.67 0.97 -0.12 2.22 2.02 -1.02 0.24 112.91 117.90 3g4k h THR 314 Ca 0.17 -0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.37 3g4k h THR 314 Cb 0.11 0.97 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3g4k h THR 314 CO -0.02 0.00 -0.02 0.25 0.37 0.00 0.00 175.52 176.10 3g4k h LEU 315 N 0.00 -0.08 -1.13 2.58 5.85 -0.41 -2.52 115.31 119.60 3g4k h LEU 315 Ca 0.01 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.77 3g4k h LEU 315 Cb 0.02 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.07 3g4k h LEU 315 CO -0.03 -0.03 0.54 -0.08 -0.34 0.00 0.00 178.44 178.50 3g4k h GLU 316 N 0.01 1.12 0.00 1.25 4.81 -0.73 -1.29 114.58 119.76 3g4k h GLU 316 Ca 0.05 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3g4k h GLU 316 Cb 0.08 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 29.21 3g4k h GLU 316 CO -0.11 0.76 -0.02 -0.44 -0.73 0.00 0.00 179.01 178.48 3g4k h ASP 317 N 1.15 0.00 -0.23 1.04 3.45 -0.17 -1.90 116.42 119.76 3g4k h ASP 317 Ca 0.31 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.77 3g4k h ASP 317 Cb -0.10 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.67 3g4k h ASP 317 CO -0.06 0.02 0.00 1.41 -1.57 0.00 0.00 179.24 179.03 3g4k n HIS 318 N -3.19 0.29 -3.19 4.55 8.25 -0.50 -4.79 115.22 116.65 3g4k n HIS 318 Ca -0.02 -0.14 -0.36 0.00 -0.26 0.00 0.00 57.72 56.94 3g4k n HIS 318 Cb 0.16 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.21 3g4k n HIS 318 CO 0.00 0.00 0.00 0.71 0.64 0.00 0.00 176.34 177.69 3g4k s TYR 319 N -1.71 3.61 -0.29 4.41 1.51 -0.71 -0.75 117.35 123.42 3g4k s TYR 319 Ca 0.35 1.27 -0.24 0.00 -1.01 0.00 0.00 57.07 57.43 3g4k s TYR 319 Cb 0.20 -2.53 0.00 0.00 -0.11 0.00 0.00 41.96 39.52 3g4k s TYR 319 CO 0.29 0.35 0.83 -1.01 -1.11 0.00 0.00 175.55 174.90 3g4k s HIS 320 N -1.54 3.23 0.51 2.71 3.76 -1.26 -4.83 115.29 117.87 3g4k s HIS 320 Ca 0.42 0.95 0.16 0.00 -0.15 0.00 0.00 55.06 56.44 3g4k s HIS 320 Cb -0.16 -3.21 1.23 0.00 1.11 0.00 0.00 32.58 31.56 3g4k s HIS 320 CO 0.20 -0.53 2.11 0.00 -0.85 0.00 0.00 174.74 175.67 3g4k h ALA 321 N 7.98 2.03 -0.02 -1.40 0.00 -1.93 -2.57 119.26 123.35 3g4k h ALA 321 Ca -0.24 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.67 3g4k h ALA 321 Cb 1.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 3g4k h ALA 321 CO 0.89 -0.06 0.00 -0.40 0.00 0.00 0.00 179.25 179.69 3g4k n ASP 322 N -4.51 0.93 -4.69 0.00 5.75 -1.26 -4.81 116.55 107.97 3g4k n ASP 322 Ca -0.00 -1.34 -0.36 0.00 -0.01 0.00 0.00 54.79 53.08 3g4k n ASP 322 Cb 0.16 -0.01 -0.09 0.00 -1.03 0.00 0.00 41.12 40.16 3g4k n ASP 322 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3g4k s VAL 323 N -1.99 5.37 0.18 2.12 1.01 -0.97 -5.00 120.40 121.13 3g4k s VAL 323 Ca 0.41 0.21 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 3g4k s VAL 323 Cb 0.21 -3.50 -0.10 0.00 0.00 0.00 0.00 36.38 33.00 3g4k s VAL 323 CO 0.34 0.38 1.45 0.00 0.00 0.00 0.00 175.10 177.27 3g4k h ALA 324 N 7.16 0.62 0.00 5.51 0.00 -1.87 -3.40 119.26 127.28 3g4k h ALA 324 Ca -0.39 -0.59 0.00 0.00 0.00 0.00 0.00 54.91 53.93 3g4k h ALA 324 Cb 1.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.89 3g4k h ALA 324 CO 0.70 0.75 -0.41 0.98 0.00 0.00 0.00 179.25 181.26 3g4k n TYR 325 N -3.86 0.00 -1.38 0.00 9.36 -1.25 -4.78 117.16 115.25 3g4k n TYR 325 Ca -0.04 0.00 -0.39 0.00 3.32 0.00 0.00 57.90 60.79 3g4k n TYR 325 Cb 0.69 -0.21 -0.02 0.00 -0.63 0.00 0.00 39.34 39.17 3g4k n TYR 325 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 3g4k n HIS 326 N -3.77 2.64 -4.09 2.98 8.25 -1.26 -4.18 115.22 115.79 3g4k n HIS 326 Ca -0.06 -2.62 -0.04 0.00 -0.26 0.00 0.00 57.72 54.74 3g4k n HIS 326 Cb 0.21 -2.25 -0.01 0.00 1.12 0.00 0.00 29.99 29.07 3g4k n HIS 326 CO 0.00 0.00 0.00 0.27 0.64 0.00 0.00 176.34 177.25 3g4k n ASN 327 N 5.56 1.42 0.28 0.41 0.23 -1.26 -4.54 115.26 117.35 3g4k n ASN 327 Ca 0.57 -1.33 0.15 0.00 -0.53 0.00 0.00 54.58 53.43 3g4k n ASN 327 Cb 0.32 0.12 0.81 0.00 -2.08 0.00 0.00 39.78 38.96 3g4k n ASN 327 CO 0.00 0.00 0.00 -0.55 -0.93 0.00 0.00 177.26 175.78 3g4k h ASN 328 N 0.22 0.00 -0.04 0.53 -1.07 -1.86 -1.05 115.58 112.31 3g4k h ASN 328 Ca -0.05 0.00 -0.12 0.00 0.07 0.00 0.00 56.30 56.20 3g4k h ASN 328 Cb 0.19 0.00 0.01 0.00 -2.07 0.00 0.00 38.32 36.44 3g4k h ASN 328 CO 0.09 0.08 -0.43 0.40 0.07 0.00 0.00 177.43 177.63 3g4k h ILE 329 N 0.00 1.44 -0.76 6.14 2.04 -1.96 -0.36 117.51 124.05 3g4k h ILE 329 Ca -0.00 -1.90 0.01 0.00 1.00 0.00 0.00 64.86 63.97 3g4k h ILE 329 Cb 0.26 2.48 -0.04 0.00 -0.74 0.00 0.00 36.82 38.77 3g4k h ILE 329 CO 0.01 0.55 0.50 -0.74 0.00 0.00 0.00 178.15 178.46 3g4k h HIS 330 N -0.16 0.96 -0.13 1.37 2.76 -1.63 -0.40 115.15 117.93 3g4k h HIS 330 Ca -0.04 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.17 3g4k h HIS 330 Cb 1.12 -0.32 -0.02 0.00 1.55 0.00 0.00 27.41 29.73 3g4k h HIS 330 CO 0.14 0.61 0.01 0.00 -1.30 0.00 0.00 177.93 177.39 3g4k h ALA 331 N 1.27 0.11 -1.00 5.26 0.00 -1.12 -0.55 119.26 123.23 3g4k h ALA 331 Ca 0.28 0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.25 3g4k h ALA 331 Cb -0.11 0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.67 3g4k h ALA 331 CO -0.06 -0.45 0.66 0.00 0.00 0.00 0.00 179.25 179.40 3g4k h ALA 332 N 1.10 1.34 -0.52 0.00 0.00 -0.77 -0.96 119.26 119.45 3g4k h ALA 332 Ca 0.06 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3g4k h ALA 332 Cb 0.06 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3g4k h ALA 332 CO -0.09 0.57 0.19 0.22 0.00 0.00 0.00 179.25 180.14 3g4k h ASP 333 N 1.28 0.74 -0.14 0.00 3.58 -0.77 -1.57 116.42 119.54 3g4k h ASP 333 Ca 0.40 -0.18 -0.15 0.00 0.42 0.00 0.00 57.03 57.52 3g4k h ASP 333 Cb -0.02 -0.19 -0.01 0.00 1.72 0.00 0.00 39.33 40.83 3g4k h ASP 333 CO -0.12 0.72 -0.43 0.58 -2.88 0.00 0.00 179.24 177.11 3g4k h VAL 334 N 0.71 1.29 -0.01 2.25 2.07 -0.61 -0.29 116.25 121.67 3g4k h VAL 334 Ca 0.17 -1.61 0.01 0.00 0.82 0.00 0.00 66.70 66.09 3g4k h VAL 334 Cb 0.23 1.54 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 3g4k h VAL 334 CO -0.01 0.52 -0.03 0.58 0.02 0.00 0.00 177.57 178.65 3g4k h VAL 335 N 0.55 0.93 -0.18 2.57 2.07 -1.11 -1.03 116.25 120.05 3g4k h VAL 335 Ca 0.04 0.00 -0.14 0.00 0.82 0.00 0.00 66.70 67.42 3g4k h VAL 335 Cb 0.96 0.93 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 3g4k h VAL 335 CO 0.09 0.00 -0.50 -0.61 0.02 0.00 0.00 177.57 176.57 3g4k h GLN 336 N -0.04 0.48 -0.44 1.57 -0.00 -1.12 -1.04 115.11 114.51 3g4k h GLN 336 Ca 0.02 -0.28 -0.09 0.00 -0.00 0.00 0.00 58.65 58.30 3g4k h GLN 336 Cb 0.06 0.02 -0.01 0.00 0.00 0.00 0.00 27.48 27.55 3g4k h GLN 336 CO -0.04 0.86 -0.06 0.77 0.00 0.00 0.00 178.83 180.36 3g4k h SER 337 N 0.38 0.81 -0.89 -0.69 0.02 -0.97 -2.27 113.55 109.94 3g4k h SER 337 Ca 0.02 -0.34 -0.02 0.00 -0.84 0.00 0.00 61.79 60.61 3g4k h SER 337 Cb 1.00 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 63.28 3g4k h SER 337 CO 0.09 0.96 0.49 0.74 -1.14 0.00 0.00 176.83 177.98 3g4k h THR 338 N 0.65 1.26 -0.77 -2.27 2.02 -1.02 0.08 112.91 112.85 3g4k h THR 338 Ca 0.12 -0.63 0.01 0.00 0.77 0.00 0.00 66.41 66.68 3g4k h THR 338 Cb 0.58 0.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.00 3g4k h THR 338 CO 0.03 0.29 0.51 -0.74 0.37 0.00 0.00 175.52 175.98 3g4k h HIS 339 N 1.25 0.96 -0.06 3.16 -0.00 -0.99 0.11 115.15 119.58 3g4k h HIS 339 Ca 0.31 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.65 3g4k h HIS 339 Cb 0.02 -0.33 0.00 0.00 -0.00 0.00 0.00 27.41 27.11 3g4k h HIS 339 CO 0.01 0.60 -0.19 0.28 -0.00 0.00 0.00 177.93 178.63 3g4k h VAL 340 N 1.04 1.43 -0.39 5.26 2.07 -0.95 -3.20 116.25 121.50 3g4k h VAL 340 Ca 0.29 -1.57 0.00 0.00 0.82 0.00 0.00 66.70 66.24 3g4k h VAL 340 Cb -0.10 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 31.94 3g4k h VAL 340 CO -0.06 0.44 0.26 -0.07 0.02 0.00 0.00 177.57 178.15 3g4k h LEU 341 N -0.27 0.45 -1.95 2.57 3.38 -0.62 -1.00 115.31 117.87 3g4k h LEU 341 Ca -0.01 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.93 3g4k h LEU 341 Cb 0.81 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.44 3g4k h LEU 341 CO 0.04 0.33 -0.10 -0.07 0.09 0.00 0.00 178.44 178.73 3g4k h LEU 342 N 0.53 0.00 -2.55 1.67 3.38 -0.82 -2.40 115.31 115.12 3g4k h LEU 342 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 3g4k h LEU 342 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 3g4k h LEU 342 CO -0.03 0.10 0.00 -1.20 0.09 0.00 0.00 178.44 177.40 3g4k n SER 343 N -4.07 3.86 -4.73 -0.43 7.64 -0.39 -4.79 113.62 110.72 3g4k n SER 343 Ca -0.02 -2.33 -0.42 0.00 1.01 0.00 0.00 58.87 57.11 3g4k n SER 343 Cb 0.18 -0.51 -0.03 0.00 -1.01 0.00 0.00 64.21 62.85 3g4k n SER 343 CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3g4k s THR 344 N -1.75 2.58 0.32 0.44 -1.32 -0.91 -4.91 115.64 110.10 3g4k s THR 344 Ca 0.41 0.44 0.09 0.00 -1.21 0.00 0.00 61.69 61.42 3g4k s THR 344 Cb 0.26 -3.28 0.31 0.00 -1.51 0.00 0.00 72.50 68.28 3g4k s THR 344 CO 0.20 0.04 1.69 -0.65 -2.21 0.00 0.00 174.62 173.70 3g4k h PRO 345 N 6.25 0.40 0.00 7.08 0.11 -1.92 0.35 132.00 144.28 3g4k h PRO 345 Ca -0.44 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3g4k h PRO 345 Cb 1.21 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3g4k h PRO 345 CO 0.87 0.26 0.00 0.00 -0.21 0.00 0.00 178.00 178.93 3g4k n ALA 346 N -2.39 1.16 -0.11 -0.75 0.00 -1.26 -1.64 120.51 115.51 3g4k n ALA 346 Ca 0.27 0.06 0.05 0.00 0.00 0.00 0.00 53.44 53.82 3g4k n ALA 346 Cb 0.80 -1.15 0.13 0.00 0.00 0.00 0.00 19.45 19.23 3g4k n ALA 346 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3g4k n LEU 347 N -1.78 2.78 -4.71 0.00 4.77 0.11 -0.79 117.00 117.38 3g4k n LEU 347 Ca 0.00 -1.90 -0.42 0.00 -0.03 0.00 0.00 56.01 53.66 3g4k n LEU 347 Cb 0.05 -0.20 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 3g4k n LEU 347 CO 0.06 0.68 1.43 -0.70 -1.33 0.00 0.00 177.39 177.54 3g4k s GLU 348 N -0.99 4.13 -0.32 3.23 2.12 -0.65 -1.09 118.70 125.12 3g4k s GLU 348 Ca 0.21 2.62 0.00 0.00 0.36 0.00 0.00 54.97 58.16 3g4k s GLU 348 Cb 0.11 -3.32 0.00 0.00 0.26 0.00 0.00 34.13 31.18 3g4k s GLU 348 CO 0.15 -0.80 0.00 0.00 -0.54 0.00 0.00 175.26 174.07 3g4k n ALA 349 N 4.80 -0.05 -0.06 6.30 0.00 -1.26 -4.86 120.51 125.38 3g4k n ALA 349 Ca 0.17 0.05 -0.15 0.00 0.00 0.00 0.00 53.44 53.50 3g4k n ALA 349 Cb 0.36 -1.16 -0.13 0.00 0.00 0.00 0.00 19.45 18.53 3g4k n ALA 349 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3g4k h VAL 350 N 0.00 1.67 -3.07 0.00 2.07 -1.47 -3.46 116.25 111.99 3g4k h VAL 350 Ca -0.06 -2.35 -0.60 0.00 0.82 0.00 0.00 66.70 64.51 3g4k h VAL 350 Cb 0.75 3.25 -0.04 0.00 -1.52 0.00 0.00 31.29 33.72 3g4k h VAL 350 CO 0.09 0.59 -0.31 -0.36 0.02 0.00 0.00 177.57 177.60 3g4k s PHE 351 N -2.26 3.55 0.75 1.57 0.08 -1.26 -5.03 117.98 115.39 3g4k s PHE 351 Ca -0.20 0.66 -0.11 0.00 0.12 0.00 0.00 56.93 57.40 3g4k s PHE 351 Cb -0.02 -2.06 0.04 0.00 -0.57 0.00 0.00 43.02 40.41 3g4k s PHE 351 CO 0.69 0.52 1.09 0.95 -0.10 0.00 0.00 175.22 178.37 3g4k s THR 352 N -1.44 3.37 0.36 0.64 -4.23 -1.26 -4.85 115.64 108.23 3g4k s THR 352 Ca 0.34 0.44 0.07 0.00 -1.18 0.00 0.00 61.69 61.36 3g4k s THR 352 Cb -0.13 -3.27 0.30 0.00 1.34 0.00 0.00 72.50 70.74 3g4k s THR 352 CO 0.19 -0.58 1.95 0.44 -0.54 0.00 0.00 174.62 176.08 3g4k h ASP 353 N -0.89 0.65 -0.57 3.99 3.32 -1.98 -0.39 116.42 120.55 3g4k h ASP 353 Ca -0.46 0.01 -0.09 0.00 0.02 0.00 0.00 57.03 56.51 3g4k h ASP 353 Cb 1.25 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 3g4k h ASP 353 CO 0.60 0.41 0.00 0.25 -1.72 0.00 0.00 179.24 178.78 3g4k h LEU 354 N 0.73 0.98 -0.68 1.55 5.85 -1.98 0.14 115.31 121.91 3g4k h LEU 354 Ca 0.33 -0.31 -0.12 0.00 0.84 0.00 0.00 57.88 58.63 3g4k h LEU 354 Cb 0.34 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3g4k h LEU 354 CO -0.12 1.05 -0.26 -0.33 -0.34 0.00 0.00 178.44 178.44 3g4k h GLU 355 N 0.89 0.74 -0.17 1.25 5.08 -1.72 0.45 114.58 121.11 3g4k h GLU 355 Ca 0.16 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 3g4k h GLU 355 Cb 0.54 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.76 3g4k h GLU 355 CO 0.03 0.92 0.04 0.82 -1.00 0.00 0.00 179.01 179.82 3g4k h ILE 356 N 0.64 1.20 -0.52 3.13 2.04 -0.85 -0.71 117.51 122.45 3g4k h ILE 356 Ca 0.08 -0.63 0.05 0.00 1.00 0.00 0.00 64.86 65.36 3g4k h ILE 356 Cb 0.77 1.30 -0.05 0.00 -0.74 0.00 0.00 36.82 38.11 3g4k h ILE 356 CO 0.06 0.19 0.25 0.25 0.00 0.00 0.00 178.15 178.91 3g4k h LEU 357 N 0.08 0.35 -0.42 1.44 5.85 -0.53 -1.53 115.31 120.55 3g4k h LEU 357 Ca 0.05 0.03 0.03 0.00 0.84 0.00 0.00 57.88 58.83 3g4k h LEU 357 Cb 0.26 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 3g4k h LEU 357 CO 0.00 0.24 0.22 0.00 -0.34 0.00 0.00 178.44 178.56 3g4k h ALA 358 N 1.29 0.52 -0.28 1.25 0.00 -0.73 0.88 119.26 122.19 3g4k h ALA 358 Ca 0.23 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3g4k h ALA 358 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3g4k h ALA 358 CO -0.17 -0.13 0.14 0.00 0.00 0.00 0.00 179.25 179.09 3g4k h ALA 359 N 1.21 0.36 -0.31 0.00 0.00 -0.65 0.49 119.26 120.35 3g4k h ALA 359 Ca 0.17 -0.09 -0.12 0.00 0.00 0.00 0.00 54.91 54.88 3g4k h ALA 359 Cb 0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3g4k h ALA 359 CO -0.11 -0.09 -0.27 0.82 0.00 0.00 0.00 179.25 179.61 3g4k h ILE 360 N 0.32 1.30 -0.17 0.00 2.04 -1.18 -1.59 117.51 118.22 3g4k h ILE 360 Ca 0.10 -1.43 -0.01 0.00 1.00 0.00 0.00 64.86 64.52 3g4k h ILE 360 Cb 0.11 1.51 -0.01 0.00 -0.74 0.00 0.00 36.82 37.69 3g4k h ILE 360 CO -0.01 0.46 0.07 0.15 0.00 0.00 0.00 178.15 178.82 3g4k h PHE 361 N 0.50 0.25 -0.57 1.37 3.57 -0.73 -1.08 116.94 120.24 3g4k h PHE 361 Ca 0.06 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.64 3g4k h PHE 361 Cb 0.83 -0.07 -0.08 0.00 2.79 0.00 0.00 35.95 39.42 3g4k h PHE 361 CO 0.07 0.29 0.15 0.00 -2.23 0.00 0.00 178.31 176.59 3g4k h ALA 362 N 0.93 0.68 -0.90 2.41 0.00 -0.89 -1.38 119.26 120.10 3g4k h ALA 362 Ca 0.06 0.11 0.03 0.00 0.00 0.00 0.00 54.91 55.10 3g4k h ALA 362 Cb 0.14 0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 3g4k h ALA 362 CO -0.01 -0.27 0.58 0.77 0.00 0.00 0.00 179.25 180.33 3g4k h SER 363 N 0.30 0.98 -0.11 0.00 0.02 -1.02 -0.69 113.55 113.02 3g4k h SER 363 Ca 0.29 -0.01 -0.13 0.00 -0.84 0.00 0.00 61.79 61.10 3g4k h SER 363 Cb 0.39 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.70 3g4k h SER 363 CO -0.35 0.68 -0.35 0.00 -1.14 0.00 0.00 176.83 175.68 3g4k h ALA 364 N 1.36 0.88 -0.01 3.77 0.00 -0.35 -3.15 119.26 121.76 3g4k h ALA 364 Ca 0.35 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3g4k h ALA 364 Cb -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3g4k h ALA 364 CO -0.11 0.63 -0.41 0.44 0.00 0.00 0.00 179.25 179.80 3g4k n ILE 365 N -4.06 0.00 0.30 0.00 -5.35 -0.60 -4.67 119.36 104.98 3g4k n ILE 365 Ca -0.01 -0.14 0.19 0.00 -0.27 0.00 0.00 62.75 62.52 3g4k n ILE 365 Cb 0.49 0.68 0.94 0.00 -1.74 0.00 0.00 39.64 40.01 3g4k n ILE 365 CO 0.00 0.00 0.00 1.12 -1.76 0.00 0.00 176.55 175.91 3g4k h HIS 366 N 1.34 0.00 0.00 4.28 2.07 -1.08 -1.88 115.15 119.87 3g4k h HIS 366 Ca 0.00 0.00 -0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3g4k h HIS 366 Cb 0.58 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.55 3g4k h HIS 366 CO 0.00 0.00 -0.20 -0.25 -3.07 0.00 0.00 177.93 174.41 3g4k n ASP 367 N -2.90 1.50 -4.77 3.10 8.00 -1.26 -4.84 116.55 115.38 3g4k n ASP 367 Ca -0.02 -2.72 -0.40 0.00 0.71 0.00 0.00 54.79 52.36 3g4k n ASP 367 Cb 0.13 -0.35 -0.01 0.00 -0.02 0.00 0.00 41.12 40.87 3g4k n ASP 367 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3g4k s VAL 368 N -1.85 2.52 -1.47 2.53 0.11 -0.71 -2.14 120.40 119.39 3g4k s VAL 368 Ca 0.21 0.51 0.00 0.00 -2.93 0.00 0.00 61.98 59.78 3g4k s VAL 368 Cb 0.19 -3.32 0.00 0.00 -1.53 0.00 0.00 36.38 31.72 3g4k s VAL 368 CO 0.01 0.11 0.00 -0.67 -3.33 0.00 0.00 175.10 171.23 3g4k n ASP 369 N 0.55 -4.81 -4.69 3.54 2.03 0.07 -4.29 116.55 108.95 3g4k n ASP 369 Ca 0.01 0.11 -0.42 0.00 0.52 0.00 0.00 54.79 55.01 3g4k n ASP 369 Cb 0.42 -3.86 -0.03 0.00 -0.72 0.00 0.00 41.12 36.93 3g4k n ASP 369 CO 0.00 0.00 0.00 -2.28 -1.92 0.00 0.00 177.20 173.00 3g4k s HIS 370 N -2.73 2.61 -1.87 -0.67 2.46 -0.91 -4.90 115.29 109.28 3g4k s HIS 370 Ca 0.00 0.57 0.31 0.00 0.47 0.00 0.00 55.06 56.41 3g4k s HIS 370 Cb 0.00 -3.80 1.61 0.00 -0.13 0.00 0.00 32.58 30.26 3g4k s HIS 370 CO 0.00 -3.12 2.07 -0.35 -2.47 0.00 0.00 174.74 170.87 3g4k n PRO 371 N 5.61 0.89 -0.84 2.88 -0.04 -1.26 -4.53 135.00 137.71 3g4k n PRO 371 Ca 0.15 -0.15 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3g4k n PRO 371 Cb 0.42 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.39 3g4k n PRO 371 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g4k n GLY 372 N 1.13 0.56 3.29 0.55 0.00 -1.26 -4.98 105.19 104.48 3g4k n GLY 372 Ca 0.20 -0.24 -0.16 0.00 0.00 0.00 0.00 46.02 45.81 3g4k n GLY 372 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g4k s VAL 373 N -2.00 1.35 0.63 1.61 -7.23 -1.26 -4.69 120.40 108.82 3g4k s VAL 373 Ca 0.00 -2.11 -0.11 0.00 -1.81 0.00 0.00 61.98 57.95 3g4k s VAL 373 Cb 0.00 -1.96 -0.03 0.00 0.56 0.00 0.00 36.38 34.95 3g4k s VAL 373 CO 0.00 -0.66 1.04 -0.94 -0.31 0.00 0.00 175.10 174.22 3g4k s SER 374 N -3.23 6.02 0.24 4.85 1.04 -1.26 -4.91 113.70 116.45 3g4k s SER 374 Ca 0.20 1.48 -0.09 0.00 0.48 0.00 0.00 55.95 58.02 3g4k s SER 374 Cb 0.02 -2.48 0.39 0.00 0.10 0.00 0.00 66.02 64.05 3g4k s SER 374 CO 0.03 -1.01 1.62 0.78 0.98 0.00 0.00 173.24 175.64 3g4k h ASN 375 N -0.36 -0.53 -0.55 7.02 2.35 -2.01 -1.78 115.58 119.72 3g4k h ASN 375 Ca -0.44 0.22 -0.03 0.00 -0.55 0.00 0.00 56.30 55.50 3g4k h ASN 375 Cb 1.20 0.42 -0.03 0.00 0.05 0.00 0.00 38.32 39.95 3g4k h ASN 375 CO 0.61 -0.23 0.25 -0.61 -1.65 0.00 0.00 177.43 175.80 3g4k h GLN 376 N 0.04 0.85 -0.26 0.81 5.75 -1.97 0.16 115.11 120.50 3g4k h GLN 376 Ca 0.40 -0.12 -0.01 0.00 -0.15 0.00 0.00 58.65 58.76 3g4k h GLN 376 Cb 0.67 -0.15 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 3g4k h GLN 376 CO -0.74 0.69 0.11 0.35 -2.65 0.00 0.00 178.83 176.59 3g4k h PHE 377 N 0.84 0.38 -0.62 3.99 3.04 -1.72 0.11 116.94 122.96 3g4k h PHE 377 Ca 0.20 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.11 3g4k h PHE 377 Cb 0.15 -0.12 -0.03 0.00 2.56 0.00 0.00 35.95 38.51 3g4k h PHE 377 CO 0.01 0.38 0.31 -0.07 -2.02 0.00 0.00 178.31 176.92 3g4k h LEU 378 N 0.27 0.78 -0.02 0.59 3.38 -0.77 -2.19 115.31 117.34 3g4k h LEU 378 Ca 0.09 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 3g4k h LEU 378 Cb 0.15 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.70 3g4k h LEU 378 CO -0.01 0.65 -0.01 0.40 0.09 0.00 0.00 178.44 179.56 3g4k h ILE 379 N 0.87 1.31 -0.48 1.22 2.04 -0.30 -1.86 117.51 120.31 3g4k h ILE 379 Ca 0.22 -0.95 0.00 0.00 1.00 0.00 0.00 64.86 65.13 3g4k h ILE 379 Cb 0.07 1.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 3g4k h ILE 379 CO -0.03 0.25 0.32 0.78 0.00 0.00 0.00 178.15 179.47 3g4k h ASN 380 N -0.34 0.56 0.04 1.72 2.35 -0.61 -2.15 115.58 117.14 3g4k h ASN 380 Ca 0.01 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3g4k h ASN 380 Cb 0.41 -0.14 0.00 0.00 0.05 0.00 0.00 38.32 38.64 3g4k h ASN 380 CO 0.00 0.41 -0.01 0.35 -1.65 0.00 0.00 177.43 176.53 3g4k n THR 381 N -4.46 0.00 -3.61 2.81 -2.24 -0.84 -4.92 114.28 101.02 3g4k n THR 381 Ca 0.04 -0.10 -0.25 0.00 -2.27 0.00 0.00 64.05 61.48 3g4k n THR 381 Cb 0.06 -0.10 0.07 0.00 -2.10 0.00 0.00 70.33 68.25 3g4k n THR 381 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 3g4k n ASN 382 N -0.58 -6.15 -4.70 3.42 3.02 -0.81 -4.96 115.26 104.50 3g4k n ASN 382 Ca 0.21 -0.56 -0.37 0.00 -0.03 0.00 0.00 54.58 53.83 3g4k n ASN 382 Cb 0.22 -4.85 0.06 0.00 -0.61 0.00 0.00 39.78 34.60 3g4k n ASN 382 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 3g4k n SER 383 N -2.96 1.81 -0.31 6.41 3.41 -0.71 -4.80 113.62 116.49 3g4k n SER 383 Ca 0.01 0.85 0.11 0.00 -0.26 0.00 0.00 58.87 59.57 3g4k n SER 383 Cb 0.56 -1.51 0.33 0.00 -0.26 0.00 0.00 64.21 63.33 3g4k n SER 383 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 3g4k h GLU 384 N 0.67 0.76 -0.40 4.33 4.81 -1.93 -1.25 114.58 121.58 3g4k h GLU 384 Ca -0.50 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 58.67 3g4k h GLU 384 Cb 1.34 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 30.53 3g4k h GLU 384 CO 0.53 0.50 0.19 -0.07 -0.73 0.00 0.00 179.01 179.44 3g4k h LEU 385 N 0.78 0.52 -1.04 1.64 3.38 -1.93 -0.35 115.31 118.32 3g4k h LEU 385 Ca 0.48 -0.12 -0.06 0.00 0.09 0.00 0.00 57.88 58.27 3g4k h LEU 385 Cb 0.70 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3g4k h LEU 385 CO -0.25 0.50 0.03 0.00 0.09 0.00 0.00 178.44 178.81 3g4k h ALA 386 N 1.04 1.21 -0.49 1.53 0.00 -1.64 -1.79 119.26 119.12 3g4k h ALA 386 Ca 0.14 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 3g4k h ALA 386 Cb 0.12 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3g4k h ALA 386 CO -0.02 0.53 -0.05 -0.07 0.00 0.00 0.00 179.25 179.64 3g4k h LEU 387 N 0.69 0.89 -0.64 0.00 3.38 -0.93 0.35 115.31 119.05 3g4k h LEU 387 Ca 0.14 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.76 3g4k h LEU 387 Cb 0.37 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.85 3g4k h LEU 387 CO 0.01 1.01 0.30 -0.03 0.09 0.00 0.00 178.44 179.82 3g4k h MET 388 N 0.75 0.92 -0.60 1.13 4.05 -0.81 -3.23 114.93 117.15 3g4k h MET 388 Ca 0.13 -0.14 0.00 0.00 -0.28 0.00 0.00 59.70 59.41 3g4k h MET 388 Cb 0.58 -0.16 0.00 0.00 -0.80 0.00 0.00 31.60 31.22 3g4k h MET 388 CO 0.03 0.74 0.00 0.66 0.23 0.00 0.00 176.91 178.58 3g4k n TYR 389 N -4.48 1.20 -3.75 1.39 4.02 -0.70 -4.96 117.16 109.89 3g4k n TYR 389 Ca 0.04 -0.59 -0.26 0.00 -0.01 0.00 0.00 57.90 57.08 3g4k n TYR 389 Cb 0.13 -0.17 0.05 0.00 -0.02 0.00 0.00 39.34 39.34 3g4k n TYR 389 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 3g4k n ASN 390 N 1.04 -5.03 -1.24 7.72 3.02 0.01 -1.85 115.26 118.93 3g4k n ASN 390 Ca 0.23 -0.68 -0.14 0.00 -0.03 0.00 0.00 54.58 53.97 3g4k n ASN 390 Cb 0.77 -4.43 -0.06 0.00 -0.61 0.00 0.00 39.78 35.45 3g4k n ASN 390 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3g4k n ASP 391 N -2.94 -4.43 -4.10 6.41 8.00 -0.61 -4.92 116.55 113.96 3g4k n ASP 391 Ca -0.01 0.34 -0.33 0.00 0.71 0.00 0.00 54.79 55.50 3g4k n ASP 391 Cb 0.56 -3.78 -0.16 0.00 -0.02 0.00 0.00 41.12 37.72 3g4k n ASP 391 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3g4k s SER 392 N -2.27 3.47 -1.50 -2.24 0.01 -0.77 -4.64 113.70 105.75 3g4k s SER 392 Ca 0.00 -0.85 -0.01 0.00 1.31 0.00 0.00 55.95 56.41 3g4k s SER 392 Cb 0.00 -1.49 0.01 0.00 0.21 0.00 0.00 66.02 64.75 3g4k s SER 392 CO 0.00 -0.05 0.18 -1.20 0.41 0.00 0.00 173.24 172.58 3g4k n SER 393 N 4.58 0.38 0.33 2.44 7.64 -1.26 -4.83 113.62 122.90 3g4k n SER 393 Ca -0.19 -1.17 -0.18 0.00 1.01 0.00 0.00 58.87 58.34 3g4k n SER 393 Cb 0.48 -2.16 -0.09 0.00 -1.01 0.00 0.00 64.21 61.42 3g4k n SER 393 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3g4k h VAL 394 N -1.79 0.12 -0.51 0.44 2.07 -1.86 -0.28 116.25 114.44 3g4k h VAL 394 Ca -0.65 0.00 -0.07 0.00 0.82 0.00 0.00 66.70 66.80 3g4k h VAL 394 Cb 1.39 0.12 -0.02 0.00 -1.52 0.00 0.00 31.29 31.26 3g4k h VAL 394 CO 0.68 0.00 0.02 -0.07 0.02 0.00 0.00 177.57 178.22 3g4k h LEU 395 N -0.99 0.80 -0.44 2.57 3.38 -1.94 -2.07 115.31 116.63 3g4k h LEU 395 Ca -0.07 -0.19 -0.10 0.00 0.09 0.00 0.00 57.88 57.61 3g4k h LEU 395 Cb 0.83 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 3g4k h LEU 395 CO 0.01 0.86 -0.12 -0.33 0.09 0.00 0.00 178.44 178.95 3g4k h GLU 396 N 0.79 0.85 -0.72 1.13 3.07 -1.82 0.26 114.58 118.14 3g4k h GLU 396 Ca 0.15 -0.33 0.01 0.00 -0.50 0.00 0.00 59.36 58.69 3g4k h GLU 396 Cb 0.44 -0.05 -0.04 0.00 -0.84 0.00 0.00 28.75 28.27 3g4k h GLU 396 CO 0.02 0.97 0.47 -0.91 -1.40 0.00 0.00 179.01 178.16 3g4k h ASN 397 N 0.68 0.83 -0.37 1.42 2.35 -0.96 -2.67 115.58 116.87 3g4k h ASN 397 Ca 0.11 -0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3g4k h ASN 397 Cb 0.66 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.81 3g4k h ASN 397 CO 0.05 0.61 0.18 -0.74 -1.65 0.00 0.00 177.43 175.87 3g4k h HIS 398 N 0.98 0.53 -0.53 1.19 2.76 -0.59 -0.93 115.15 118.56 3g4k h HIS 398 Ca 0.26 -0.03 0.08 0.00 -2.20 0.00 0.00 60.37 58.49 3g4k h HIS 398 Cb -0.10 -0.17 -0.06 0.00 1.55 0.00 0.00 27.41 28.63 3g4k h HIS 398 CO -0.02 0.45 0.18 0.45 -1.30 0.00 0.00 177.93 177.69 3g4k h HIS 399 N 0.46 0.32 0.02 5.26 3.86 -0.37 -0.03 115.15 124.67 3g4k h HIS 399 Ca 0.13 0.03 -0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3g4k h HIS 399 Cb 0.11 -0.06 0.00 0.00 1.06 0.00 0.00 27.41 28.52 3g4k h HIS 399 CO -0.02 0.09 -0.01 -0.07 0.86 0.00 0.00 177.93 178.79 3g4k h LEU 400 N 0.36 -0.02 -0.51 2.43 3.38 -1.33 -0.04 115.31 119.57 3g4k h LEU 400 Ca 0.26 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 3g4k h LEU 400 Cb 0.30 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3g4k h LEU 400 CO -0.27 0.05 0.30 0.00 0.09 0.00 0.00 178.44 178.62 3g4k h ALA 401 N 0.90 0.66 -0.29 1.53 0.00 -0.68 -1.58 119.26 119.79 3g4k h ALA 401 Ca -0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 3g4k h ALA 401 Cb 0.08 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 3g4k h ALA 401 CO 0.00 0.15 0.11 0.28 0.00 0.00 0.00 179.25 179.79 3g4k h VAL 402 N 0.69 1.18 -0.60 0.00 2.07 -1.00 0.09 116.25 118.69 3g4k h VAL 402 Ca 0.18 -0.55 0.09 0.00 0.82 0.00 0.00 66.70 67.25 3g4k h VAL 402 Cb -0.00 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 30.70 3g4k h VAL 402 CO -0.03 0.19 0.22 1.23 0.02 0.00 0.00 177.57 179.20 3g4k h GLY 403 N 0.32 0.83 1.08 2.17 0.00 -0.56 -1.35 103.07 105.56 3g4k h GLY 403 Ca 0.10 -0.12 -0.20 0.00 0.00 0.00 0.00 47.33 47.10 3g4k h GLY 403 CO -0.01 -0.01 -0.72 0.74 0.00 0.00 0.00 176.54 176.53 3g4k h PHE 404 N 0.41 0.95 -0.68 5.60 0.04 -1.25 -3.29 116.94 118.72 3g4k h PHE 404 Ca 0.30 -0.44 0.02 0.00 2.80 0.00 0.00 57.97 60.66 3g4k h PHE 404 Cb 0.36 -0.14 -0.04 0.00 2.20 0.00 0.00 35.95 38.34 3g4k h PHE 404 CO -0.17 1.26 0.45 0.87 -0.60 0.00 0.00 178.31 180.12 3g4k h LYS 405 N 0.38 0.84 0.00 1.51 1.57 -0.58 -2.06 116.57 118.23 3g4k h LYS 405 Ca -0.06 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3g4k h LYS 405 Cb 1.37 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 33.49 3g4k h LYS 405 CO 0.15 0.56 -0.00 -0.07 -0.57 0.00 0.00 179.45 179.51 3g4k h LEU 406 N 0.87 0.00 -2.45 2.94 3.38 -1.32 -0.40 115.31 118.32 3g4k h LEU 406 Ca 0.26 0.00 0.01 0.00 0.09 0.00 0.00 57.88 58.24 3g4k h LEU 406 Cb -0.02 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.73 3g4k h LEU 406 CO -0.07 0.00 0.03 -0.07 0.09 0.00 0.00 178.44 178.43 3g4k h LEU 407 N 0.00 0.00 -0.12 1.67 3.38 -1.48 -2.12 115.31 116.63 3g4k h LEU 407 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3g4k h LEU 407 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3g4k h LEU 407 CO 0.00 0.00 -0.16 0.00 0.09 0.00 0.00 178.44 178.37 3g4k n GLN 408 N -3.80 0.36 -1.31 1.13 6.02 -0.16 -2.21 117.38 117.41 3g4k n GLN 408 Ca -0.02 -0.12 -0.29 0.00 -0.01 0.00 0.00 57.00 56.56 3g4k n GLN 408 Cb 0.12 -1.50 0.16 0.00 1.02 0.00 0.00 30.24 30.05 3g4k n GLN 408 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 3g4k s GLU 409 N -2.72 0.62 0.05 -1.09 2.02 -0.80 -4.88 118.70 111.89 3g4k s GLU 409 Ca 0.21 0.39 -0.30 0.00 0.02 0.00 0.00 54.97 55.29 3g4k s GLU 409 Cb 0.19 -1.77 -0.08 0.00 0.10 0.00 0.00 34.13 32.57 3g4k s GLU 409 CO 0.54 -2.57 1.70 -2.00 0.02 0.00 0.00 175.26 172.95 3g4k s GLU 410 N -5.10 4.18 -1.42 1.61 2.56 -1.26 -2.22 118.70 117.05 3g4k s GLU 410 Ca 0.65 2.35 -0.09 0.00 0.00 0.00 0.00 54.97 57.89 3g4k s GLU 410 Cb -0.17 -3.74 0.04 0.00 2.00 0.00 0.00 34.13 32.27 3g4k s GLU 410 CO 0.56 -0.79 0.97 -1.71 -0.56 0.00 0.00 175.26 173.73 3g4k n ASN 411 N 6.12 -4.15 -0.05 -1.70 4.05 -1.26 -4.92 115.26 113.35 3g4k n ASN 411 Ca 0.17 -0.72 0.02 0.00 0.45 0.00 0.00 54.58 54.49 3g4k n ASN 411 Cb 0.41 -4.26 -0.01 0.00 1.23 0.00 0.00 39.78 37.14 3g4k n ASN 411 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3g4k s ASP 413 N -1.08 6.57 0.12 0.00 2.15 -0.94 -4.54 116.67 118.95 3g4k s ASP 413 Ca 0.03 -1.66 0.17 0.00 0.43 0.00 0.00 52.55 51.52 3g4k s ASP 413 Cb 0.03 -2.57 0.75 0.00 -0.30 0.00 0.00 42.92 40.83 3g4k s ASP 413 CO 0.13 -1.43 1.54 2.30 -0.17 0.00 0.00 175.17 177.53 3g4k n ILE 414 N 6.76 1.02 -0.53 4.11 -5.35 -1.26 -2.38 119.36 121.72 3g4k n ILE 414 Ca 0.36 0.29 0.08 0.00 -0.27 0.00 0.00 62.75 63.22 3g4k n ILE 414 Cb 0.50 -1.15 0.28 0.00 -1.74 0.00 0.00 39.64 37.52 3g4k n ILE 414 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 3g4k n PHE 415 N -1.84 1.03 0.15 4.28 3.72 -1.26 -4.63 117.46 118.91 3g4k n PHE 415 Ca 0.02 -0.61 0.15 0.00 -0.05 0.00 0.00 57.45 56.96 3g4k n PHE 415 Cb 0.17 -0.17 0.72 0.00 -0.94 0.00 0.00 39.48 39.26 3g4k n PHE 415 CO 0.00 0.00 0.00 -0.56 -0.05 0.00 0.00 176.76 176.15 3g4k h GLN 416 N 3.09 0.00 -0.53 -1.08 3.07 -1.83 -2.02 115.11 115.81 3g4k h GLN 416 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 3g4k h GLN 416 Cb 1.19 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.75 3g4k h GLN 416 CO 0.14 0.00 0.00 0.09 0.09 0.00 0.00 178.83 179.15 3g4k n ASN 417 N -4.27 3.45 -4.80 0.06 3.02 -1.26 -4.93 115.26 106.53 3g4k n ASN 417 Ca 0.03 -1.98 -0.34 0.00 -0.03 0.00 0.00 54.58 52.26 3g4k n ASN 417 Cb 0.34 -0.35 -0.02 0.00 -0.61 0.00 0.00 39.78 39.14 3g4k n ASN 417 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 3g4k s LEU 418 N -1.03 3.72 0.76 3.41 1.02 -0.76 -4.86 118.68 120.94 3g4k s LEU 418 Ca 0.37 1.92 -0.11 0.00 0.02 0.00 0.00 54.13 56.32 3g4k s LEU 418 Cb 0.19 -4.55 0.05 0.00 0.02 0.00 0.00 46.19 41.90 3g4k s LEU 418 CO 0.25 -0.95 1.09 0.42 0.02 0.00 0.00 176.35 177.18 3g4k s THR 419 N -2.11 3.40 0.21 5.49 -4.23 -1.26 -4.84 115.64 112.31 3g4k s THR 419 Ca 0.67 0.45 -0.09 0.00 -1.18 0.00 0.00 61.69 61.55 3g4k s THR 419 Cb -0.17 -3.22 0.16 0.00 1.34 0.00 0.00 72.50 70.60 3g4k s THR 419 CO 0.26 -0.59 1.81 0.50 -0.54 0.00 0.00 174.62 176.06 3g4k h LYS 420 N -0.94 0.70 -0.70 3.99 3.64 -1.98 -0.50 116.57 120.78 3g4k h LYS 420 Ca -0.46 -0.04 -0.06 0.00 -1.27 0.00 0.00 60.65 58.82 3g4k h LYS 420 Cb 1.25 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.88 3g4k h LYS 420 CO 0.59 0.46 0.21 0.87 -2.27 0.00 0.00 179.45 179.31 3g4k h LYS 421 N 0.72 1.08 -0.38 1.90 1.57 -1.99 -1.30 116.57 118.16 3g4k h LYS 421 Ca 0.31 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.82 3g4k h LYS 421 Cb 0.20 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 3g4k h LYS 421 CO -0.19 0.92 0.06 1.96 -0.57 0.00 0.00 179.45 181.63 3g4k h GLN 422 N 1.03 0.63 -0.70 3.15 4.20 -1.78 -1.53 115.11 120.11 3g4k h GLN 422 Ca 0.22 -0.17 0.01 0.00 0.06 0.00 0.00 58.65 58.78 3g4k h GLN 422 Cb 0.30 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.97 3g4k h GLN 422 CO -0.01 0.69 0.46 0.00 -0.67 0.00 0.00 178.83 179.30 3g4k h ARG 423 N 0.48 0.89 -0.41 1.46 3.08 -0.90 0.20 114.38 119.17 3g4k h ARG 423 Ca 0.12 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 60.03 3g4k h ARG 423 Cb 0.37 -0.20 -0.01 0.00 0.08 0.00 0.00 29.97 30.20 3g4k h ARG 423 CO 0.01 0.59 -0.07 1.96 -1.07 0.00 0.00 179.97 181.38 3g4k h GLN 424 N 0.92 0.78 -0.12 0.04 4.20 -1.12 -0.64 115.11 119.18 3g4k h GLN 424 Ca 0.27 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 3g4k h GLN 424 Cb -0.07 -0.05 -0.00 0.00 0.30 0.00 0.00 27.48 27.66 3g4k h GLN 424 CO -0.07 0.90 -0.02 1.03 -0.67 0.00 0.00 178.83 180.00 3g4k h SER 425 N 0.61 0.22 -0.35 1.46 0.87 -1.07 -2.27 113.55 113.01 3g4k h SER 425 Ca 0.11 -0.35 0.02 0.00 -1.23 0.00 0.00 61.79 60.34 3g4k h SER 425 Cb 0.59 -0.06 -0.02 0.00 -0.44 0.00 0.00 62.40 62.47 3g4k h SER 425 CO 0.04 0.52 0.19 0.25 -0.53 0.00 0.00 176.83 177.30 3g4k h LEU 426 N -0.08 0.31 -0.51 2.23 6.46 -0.59 -2.19 115.31 120.93 3g4k h LEU 426 Ca 0.03 0.01 0.05 0.00 -0.12 0.00 0.00 57.88 57.85 3g4k h LEU 426 Cb 0.42 -0.06 -0.05 0.00 -0.73 0.00 0.00 40.66 40.24 3g4k h LEU 426 CO 0.01 0.22 0.24 -0.09 -0.62 0.00 0.00 178.44 178.21 3g4k h ARG 427 N 0.40 0.46 -0.61 1.25 2.43 -1.12 -0.55 114.38 116.65 3g4k h ARG 427 Ca 0.14 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.27 3g4k h ARG 427 Cb 0.02 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.44 3g4k h ARG 427 CO -0.07 0.30 0.33 -0.22 -1.51 0.00 0.00 179.97 178.80 3g4k h LYS 428 N 0.47 0.85 -0.35 0.20 3.64 -1.10 -1.95 116.57 118.33 3g4k h LYS 428 Ca 0.23 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.42 3g4k h LYS 428 Cb 0.16 -0.16 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3g4k h LYS 428 CO -0.17 0.65 -0.11 0.52 -2.27 0.00 0.00 179.45 178.06 3g4k h MET 429 N 0.82 0.69 -0.36 1.90 2.86 -1.02 -0.76 114.93 119.06 3g4k h MET 429 Ca 0.21 -0.28 0.02 0.00 -2.06 0.00 0.00 59.70 57.59 3g4k h MET 429 Cb 0.05 -0.03 -0.03 0.00 0.06 0.00 0.00 31.60 31.65 3g4k h MET 429 CO -0.03 0.87 0.20 0.28 1.06 0.00 0.00 176.91 179.29 3g4k h VAL 430 N 0.48 1.02 -0.17 -2.22 2.07 -1.00 -0.26 116.25 116.18 3g4k h VAL 430 Ca 0.09 -0.14 0.02 0.00 0.82 0.00 0.00 66.70 67.49 3g4k h VAL 430 Cb 0.63 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 30.95 3g4k h VAL 430 CO 0.04 0.07 0.02 0.40 0.02 0.00 0.00 177.57 178.13 3g4k h ILE 431 N 0.41 0.91 -0.94 4.57 2.04 -1.21 -0.77 117.51 122.51 3g4k h ILE 431 Ca 0.15 -0.03 -0.00 0.00 1.00 0.00 0.00 64.86 65.97 3g4k h ILE 431 Cb 0.02 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 36.88 3g4k h ILE 431 CO -0.08 0.02 0.57 0.44 0.00 0.00 0.00 178.15 179.09 3g4k h ASP 432 N 0.08 1.13 0.04 1.72 3.45 -0.70 -1.12 116.42 121.02 3g4k h ASP 432 Ca 0.08 -0.07 -0.00 0.00 0.43 0.00 0.00 57.03 57.47 3g4k h ASP 432 Cb 0.08 -0.28 0.00 0.00 -0.56 0.00 0.00 39.33 38.56 3g4k h ASP 432 CO -0.11 0.86 -0.02 0.40 -1.57 0.00 0.00 179.24 178.80 3g4k h ILE 433 N 1.29 1.23 -0.31 0.35 2.04 -0.83 -3.00 117.51 118.28 3g4k h ILE 433 Ca 0.34 -0.89 -0.15 0.00 1.00 0.00 0.00 64.86 65.15 3g4k h ILE 433 Cb -0.06 1.82 -0.01 0.00 -0.74 0.00 0.00 36.82 37.83 3g4k h ILE 433 CO -0.06 0.22 -0.43 0.58 0.00 0.00 0.00 178.15 178.46 3g4k h VAL 434 N -0.45 1.29 0.00 1.67 2.07 -0.94 -2.48 116.25 117.41 3g4k h VAL 434 Ca -0.01 -1.61 -0.03 0.00 0.82 0.00 0.00 66.70 65.88 3g4k h VAL 434 Cb 0.41 1.51 -0.00 0.00 -1.52 0.00 0.00 31.29 31.68 3g4k h VAL 434 CO 0.01 0.52 -0.13 -0.07 0.02 0.00 0.00 177.57 177.93 3g4k h LEU 435 N 0.62 0.00 -0.06 2.57 3.38 -1.31 -1.25 115.31 119.26 3g4k h LEU 435 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3g4k h LEU 435 Cb 0.99 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.74 3g4k h LEU 435 CO 0.09 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.75 3g4k n ALA 436 N -2.31 2.08 0.90 1.53 0.00 -0.94 -3.16 120.51 118.62 3g4k n ALA 436 Ca -0.02 -0.06 0.12 0.00 0.00 0.00 0.00 53.44 53.48 3g4k n ALA 436 Cb 0.23 -1.40 0.53 0.00 0.00 0.00 0.00 19.45 18.82 3g4k n ALA 436 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3g4k n THR 437 N -1.68 0.34 -1.86 0.00 -2.24 -0.47 -4.75 114.28 103.62 3g4k n THR 437 Ca 0.05 0.08 -0.43 0.00 -2.27 0.00 0.00 64.05 61.49 3g4k n THR 437 Cb 0.30 -0.68 -0.03 0.00 -2.10 0.00 0.00 70.33 67.82 3g4k n THR 437 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3g4k s ASP 438 N -2.88 6.26 0.59 3.42 -1.08 -1.19 -4.86 116.67 116.93 3g4k s ASP 438 Ca 0.15 2.10 0.29 0.00 -0.52 0.00 0.00 52.55 54.57 3g4k s ASP 438 Cb 0.16 -2.53 1.66 0.00 -1.46 0.00 0.00 42.92 40.75 3g4k s ASP 438 CO 0.41 -1.28 2.09 0.24 0.52 0.00 0.00 175.17 177.15 3g4k h MET 439 N 11.36 0.00 0.00 4.34 2.86 -1.93 0.25 114.93 131.82 3g4k h MET 439 Ca -0.41 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 3g4k h MET 439 Cb 1.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.86 3g4k h MET 439 CO 0.97 0.00 0.00 -1.13 1.06 0.00 0.00 176.91 177.81 3g4k n SER 440 N -3.76 0.54 -0.69 1.22 3.41 -1.26 -1.40 113.62 111.69 3g4k n SER 440 Ca 0.02 0.67 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 3g4k n SER 440 Cb 0.34 -0.77 0.16 0.00 -0.26 0.00 0.00 64.21 63.68 3g4k n SER 440 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3g4k n LYS 441 N -2.14 1.77 0.04 4.33 4.76 0.87 -4.65 118.16 123.14 3g4k n LYS 441 Ca 0.01 -1.38 -0.12 0.00 -2.87 0.00 0.00 58.31 53.95 3g4k n LYS 441 Cb 0.15 -1.47 -0.07 0.00 -1.84 0.00 0.00 35.03 31.80 3g4k n LYS 441 CO 0.00 0.00 0.00 1.25 -1.37 0.00 0.00 177.40 177.28 3g4k h HIS 442 N 3.38 0.01 -0.58 2.13 2.76 -1.27 -0.53 115.15 121.04 3g4k h HIS 442 Ca 0.00 0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.15 3g4k h HIS 442 Cb 0.81 -0.00 -0.03 0.00 1.55 0.00 0.00 27.41 29.74 3g4k h HIS 442 CO 0.00 0.00 0.29 0.52 -1.30 0.00 0.00 177.93 177.45 3g4k h MET 443 N 0.01 0.82 -0.05 5.26 2.86 -1.82 0.11 114.93 122.12 3g4k h MET 443 Ca 0.00 -0.11 -0.13 0.00 -2.06 0.00 0.00 59.70 57.40 3g4k h MET 443 Cb -0.00 -0.15 -0.01 0.00 0.06 0.00 0.00 31.60 31.49 3g4k h MET 443 CO -0.00 0.66 -0.56 -0.91 1.06 0.00 0.00 176.91 177.15 3g4k h ASN 444 N 0.78 0.15 -0.17 1.22 2.35 -1.85 -1.15 115.58 116.91 3g4k h ASN 444 Ca 0.20 -0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.83 3g4k h ASN 444 Cb 0.09 -0.04 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3g4k h ASN 444 CO -0.03 0.69 -0.03 0.25 -1.65 0.00 0.00 177.43 176.66 3g4k h LEU 445 N 0.11 0.32 -0.38 1.61 5.85 -0.59 -2.37 115.31 119.85 3g4k h LEU 445 Ca -0.00 -0.35 -0.03 0.00 0.84 0.00 0.00 57.88 58.33 3g4k h LEU 445 Cb 1.03 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.96 3g4k h LEU 445 CO 0.08 0.60 0.10 0.25 -0.34 0.00 0.00 178.44 179.13 3g4k h LEU 446 N 0.04 0.57 -0.63 2.25 5.85 -0.74 -1.62 115.31 121.03 3g4k h LEU 446 Ca 0.04 -0.22 0.09 0.00 0.84 0.00 0.00 57.88 58.63 3g4k h LEU 446 Cb 0.45 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.27 3g4k h LEU 446 CO 0.01 0.64 0.27 0.00 -0.34 0.00 0.00 178.44 179.02 3g4k h ALA 447 N 0.95 0.84 -0.08 1.25 0.00 -1.19 0.67 119.26 121.69 3g4k h ALA 447 Ca 0.12 0.07 -0.11 0.00 0.00 0.00 0.00 54.91 54.99 3g4k h ALA 447 Cb 0.29 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3g4k h ALA 447 CO -0.00 -0.14 -0.44 -0.44 0.00 0.00 0.00 179.25 178.23 3g4k h ASP 448 N 0.47 0.19 -0.17 0.00 3.32 -1.28 -1.83 116.42 117.12 3g4k h ASP 448 Ca 0.31 -0.08 -0.12 0.00 0.02 0.00 0.00 57.03 57.17 3g4k h ASP 448 Cb 0.36 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.84 3g4k h ASP 448 CO -0.28 0.61 -0.28 0.25 -1.72 0.00 0.00 179.24 177.82 3g4k h LEU 449 N 0.15 0.66 -0.63 1.55 5.85 -0.27 -1.32 115.31 121.31 3g4k h LEU 449 Ca 0.01 -0.25 -0.08 0.00 0.84 0.00 0.00 57.88 58.40 3g4k h LEU 449 Cb 0.84 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3g4k h LEU 449 CO 0.07 0.91 0.07 0.11 -0.34 0.00 0.00 178.44 179.26 3g4k h LYS 450 N 0.56 1.06 -0.59 1.25 1.57 -0.58 -0.88 116.57 118.97 3g4k h LYS 450 Ca 0.07 -0.30 -0.04 0.00 -1.87 0.00 0.00 60.65 58.51 3g4k h LYS 450 Cb 0.77 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 3g4k h LYS 450 CO 0.06 1.00 0.22 1.15 -0.57 0.00 0.00 179.45 181.31 3g4k h THR 451 N 0.97 1.23 -0.81 -0.16 2.02 -1.14 -1.29 112.91 113.73 3g4k h THR 451 Ca 0.19 -0.73 0.02 0.00 0.77 0.00 0.00 66.41 66.66 3g4k h THR 451 Cb 0.47 0.61 -0.05 0.00 -1.74 0.00 0.00 68.15 67.45 3g4k h THR 451 CO 0.02 0.28 0.52 -0.03 0.37 0.00 0.00 175.52 176.68 3g4k h MET 452 N 0.81 1.01 -0.17 6.66 1.85 -1.03 -2.74 114.93 121.32 3g4k h MET 452 Ca 0.19 -0.06 -0.08 0.00 -0.61 0.00 0.00 59.70 59.15 3g4k h MET 452 Cb 0.22 -0.23 -0.01 0.00 0.43 0.00 0.00 31.60 32.01 3g4k h MET 452 CO -0.01 0.67 -0.23 0.28 -0.40 0.00 0.00 176.91 177.21 3g4k h VAL 453 N 1.04 1.24 -0.65 -5.77 2.07 -0.63 -1.45 116.25 112.09 3g4k h VAL 453 Ca 0.31 -1.11 -0.07 0.00 0.82 0.00 0.00 66.70 66.65 3g4k h VAL 453 Cb -0.04 1.36 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 3g4k h VAL 453 CO -0.09 0.34 0.13 -0.33 0.02 0.00 0.00 177.57 177.64 3g4k h GLU 454 N 0.28 1.07 -0.72 1.57 5.08 -0.97 -3.10 114.58 117.79 3g4k h GLU 454 Ca 0.05 -0.27 -0.37 0.00 -1.00 0.00 0.00 59.36 57.77 3g4k h GLU 454 Cb 0.57 -0.13 -0.22 0.00 0.50 0.00 0.00 28.75 29.47 3g4k h GLU 454 CO 0.04 0.97 0.33 0.25 -1.00 0.00 0.00 179.01 179.60 3g4k n THR 455 N -4.26 2.92 -1.67 1.13 -2.24 -1.07 -5.03 114.28 104.06 3g4k n THR 455 Ca 0.04 -2.26 -0.47 0.00 -2.27 0.00 0.00 64.05 59.09 3g4k n THR 455 Cb 0.27 -0.40 -0.04 0.00 -2.10 0.00 0.00 70.33 68.06 3g4k n THR 455 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3g4k n LYS 456 N -1.10 2.10 -4.81 -0.78 4.81 -0.57 -5.00 118.16 112.81 3g4k n LYS 456 Ca 0.48 0.76 -0.33 0.00 -0.87 0.00 0.00 58.31 58.35 3g4k n LYS 456 Cb 1.40 -2.54 -0.13 0.00 0.02 0.00 0.00 35.03 33.78 3g4k n LYS 456 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 3g4k s LYS 457 N 1.62 2.70 0.23 1.64 0.00 -1.26 -5.09 119.74 119.58 3g4k s LYS 457 Ca 0.82 -0.66 0.10 0.00 0.00 0.00 0.00 55.97 56.23 3g4k s LYS 457 Cb -0.70 -2.47 -0.05 0.00 0.00 0.00 0.00 37.83 34.62 3g4k s LYS 457 CO 0.42 0.57 -0.18 0.14 0.00 0.00 0.00 175.35 176.29 3g4k s VAL 458 N -0.57 2.09 0.77 1.79 -7.23 -1.26 -1.34 120.40 114.64 3g4k s VAL 458 Ca 0.08 -2.23 -0.09 0.00 -1.81 0.00 0.00 61.98 57.93 3g4k s VAL 458 Cb -0.11 -2.12 0.09 0.00 0.56 0.00 0.00 36.38 34.80 3g4k s VAL 458 CO 0.01 -0.44 1.10 0.42 -0.31 0.00 0.00 175.10 175.89 3g4k s THR 459 N -2.54 2.15 0.56 5.32 -4.23 0.13 -4.72 115.64 112.31 3g4k s THR 459 Ca 0.24 -0.18 0.26 0.00 -1.18 0.00 0.00 61.69 60.83 3g4k s THR 459 Cb -0.04 -2.97 0.33 0.00 1.34 0.00 0.00 72.50 71.16 3g4k s THR 459 CO 0.10 0.00 2.22 -1.28 -0.54 0.00 0.00 174.62 175.12 3g4k h SER 460 N -0.86 0.00 0.22 3.99 0.87 -2.00 -0.88 113.55 114.88 3g4k h SER 460 Ca -0.44 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.12 3g4k h SER 460 Cb 1.30 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.26 3g4k h SER 460 CO 0.57 0.01 0.00 -1.54 -0.53 0.00 0.00 176.83 175.34 3g4k n SER 461 N -4.01 0.00 0.00 6.23 3.41 -1.26 -4.90 113.62 113.08 3g4k n SER 461 Ca -0.03 -0.53 0.00 0.00 -0.26 0.00 0.00 58.87 58.05 3g4k n SER 461 Cb 0.09 -0.13 0.00 0.00 -0.26 0.00 0.00 64.21 63.92 3g4k n SER 461 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g4k n GLY 462 N 0.85 0.79 3.90 5.00 0.00 -0.34 -5.05 105.19 110.34 3g4k n GLY 462 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 3g4k n GLY 462 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g4k s VAL 463 N -3.08 5.19 0.25 1.61 1.01 -1.26 -4.75 120.40 119.37 3g4k s VAL 463 Ca 0.00 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 61.63 3g4k s VAL 463 Cb 0.00 -3.64 -0.15 0.00 0.00 0.00 0.00 36.38 32.59 3g4k s VAL 463 CO 0.00 0.02 1.03 0.18 0.00 0.00 0.00 175.10 176.33 3g4k n LEU 464 N -0.00 1.53 -4.39 3.92 4.32 0.03 0.18 117.00 122.58 3g4k n LEU 464 Ca -0.03 1.16 -0.40 0.00 -0.02 0.00 0.00 56.01 56.72 3g4k n LEU 464 Cb 0.52 -1.25 -0.11 0.00 -1.62 0.00 0.00 43.42 40.96 3g4k n LEU 464 CO 0.49 -1.46 -0.16 -0.22 -1.22 0.00 0.00 177.39 174.82 3g4k s LEU 465 N 0.69 4.65 -0.39 2.23 2.96 -0.45 -4.61 118.68 123.75 3g4k s LEU 465 Ca 0.64 -0.93 0.02 0.00 -0.22 0.00 0.00 54.13 53.64 3g4k s LEU 465 Cb -0.76 -2.02 0.11 0.00 0.50 0.00 0.00 46.19 44.01 3g4k s LEU 465 CO 0.57 -0.36 0.13 -0.76 -1.32 0.00 0.00 176.35 174.60 3g4k s LEU 466 N 1.56 4.87 0.33 -0.68 1.43 -1.26 -4.68 118.68 120.24 3g4k s LEU 466 Ca 0.02 -2.24 0.23 0.00 -1.03 0.00 0.00 54.13 51.12 3g4k s LEU 466 Cb -0.19 -1.69 0.22 0.00 0.03 0.00 0.00 46.19 44.56 3g4k s LEU 466 CO 0.07 -0.41 1.38 0.44 0.23 0.00 0.00 176.35 178.06 3g4k h ASP 467 N 7.60 0.00 -5.15 2.29 3.45 -1.97 -3.46 116.42 119.17 3g4k h ASP 467 Ca -0.07 -0.01 -0.11 0.00 0.43 0.00 0.00 57.03 57.27 3g4k h ASP 467 Cb 1.01 0.00 -0.16 0.00 -0.56 0.00 0.00 39.33 39.63 3g4k h ASP 467 CO 0.59 0.00 -0.52 0.54 -1.57 0.00 0.00 179.24 178.28 3g4k s ASN 468 N -5.73 0.25 0.24 6.45 2.20 -1.26 -5.06 114.94 112.03 3g4k s ASN 468 Ca 0.04 -0.71 -0.05 0.00 -0.94 0.00 0.00 52.86 51.20 3g4k s ASN 468 Cb 0.07 0.25 0.34 0.00 -2.00 0.00 0.00 41.25 39.92 3g4k s ASN 468 CO 0.72 -0.61 1.84 0.22 -2.94 0.00 0.00 177.10 176.33 3g4k h TYR 469 N 3.22 0.96 -0.41 1.54 3.20 -1.99 -1.96 116.97 121.54 3g4k h TYR 469 Ca -0.33 0.03 0.08 0.00 3.14 0.00 0.00 58.73 61.65 3g4k h TYR 469 Cb 1.18 -0.31 -0.08 0.00 1.54 0.00 0.00 36.73 39.06 3g4k h TYR 469 CO 0.50 0.48 -0.09 1.03 -1.64 0.00 0.00 178.16 178.44 3g4k h SER 470 N 0.94 -0.36 -0.39 -2.11 0.87 -1.99 0.21 113.55 110.72 3g4k h SER 470 Ca 0.38 0.12 -0.16 0.00 -1.23 0.00 0.00 61.79 60.90 3g4k h SER 470 Cb 0.20 0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.40 3g4k h SER 470 CO -0.18 -0.13 -0.37 0.44 -0.53 0.00 0.00 176.83 176.06 3g4k h ASP 471 N 0.01 1.01 -0.20 6.23 3.32 -1.89 -1.90 116.42 123.00 3g4k h ASP 471 Ca 0.20 -0.46 -0.02 0.00 0.02 0.00 0.00 57.03 56.77 3g4k h ASP 471 Cb 0.30 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3g4k h ASP 471 CO -0.41 1.26 0.03 0.03 -1.72 0.00 0.00 179.24 178.43 3g4k h ARG 472 N 0.78 0.33 -0.29 3.56 3.08 -0.69 -1.59 114.38 119.55 3g4k h ARG 472 Ca 0.07 -0.09 -0.15 0.00 0.07 0.00 0.00 59.98 59.88 3g4k h ARG 472 Cb 0.97 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 3g4k h ARG 472 CO 0.09 0.48 -0.43 0.97 -1.07 0.00 0.00 179.97 180.01 3g4k h ILE 473 N 0.13 1.29 -0.56 2.04 6.09 -0.63 -2.28 117.51 123.58 3g4k h ILE 473 Ca 0.06 -1.61 0.05 0.00 -1.37 0.00 0.00 64.86 61.98 3g4k h ILE 473 Cb 0.31 1.53 -0.05 0.00 0.47 0.00 0.00 36.82 39.08 3g4k h ILE 473 CO 0.00 0.52 0.30 -0.61 -3.07 0.00 0.00 178.15 175.29 3g4k h GLN 474 N 0.58 0.55 -0.57 2.19 4.15 -1.27 0.49 115.11 121.24 3g4k h GLN 474 Ca 0.04 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.45 3g4k h GLN 474 Cb 0.98 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 28.51 3g4k h GLN 474 CO 0.09 0.36 0.34 0.28 -1.93 0.00 0.00 178.83 177.98 3g4k h VAL 475 N 0.57 1.06 -0.38 2.39 2.07 -1.13 -1.88 116.25 118.94 3g4k h VAL 475 Ca 0.25 -0.23 -0.12 0.00 0.82 0.00 0.00 66.70 67.42 3g4k h VAL 475 Cb 0.15 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.23 3g4k h VAL 475 CO -0.16 0.12 -0.24 -0.07 0.02 0.00 0.00 177.57 177.24 3g4k h LEU 476 N 0.68 0.77 0.35 2.57 3.38 -0.71 0.07 115.31 122.42 3g4k h LEU 476 Ca 0.23 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 3g4k h LEU 476 Cb 0.03 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.57 3g4k h LEU 476 CO -0.10 0.98 -0.17 1.56 0.09 0.00 0.00 178.44 180.80 3g4k h GLN 477 N 0.66 -0.45 -0.44 1.13 4.20 0.12 -2.26 115.11 118.07 3g4k h GLN 477 Ca 0.09 0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.82 3g4k h GLN 477 Cb 0.75 0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.61 3g4k h GLN 477 CO 0.06 -0.25 0.22 -0.91 -0.67 0.00 0.00 178.83 177.28 3g4k h ASN 478 N -0.56 0.54 -0.09 1.46 2.35 -1.29 -0.65 115.58 117.34 3g4k h ASN 478 Ca -0.05 -0.04 -0.00 0.00 -0.55 0.00 0.00 56.30 55.66 3g4k h ASN 478 Cb 0.42 -0.14 -0.00 0.00 0.05 0.00 0.00 38.32 38.64 3g4k h ASN 478 CO 0.08 0.46 0.05 -0.03 -1.65 0.00 0.00 177.43 176.33 3g4k h MET 479 N 0.61 0.13 -0.24 0.81 4.05 -0.81 0.38 114.93 119.86 3g4k h MET 479 Ca 0.16 -0.02 -0.15 0.00 -0.28 0.00 0.00 59.70 59.41 3g4k h MET 479 Cb 0.05 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 3g4k h MET 479 CO -0.02 0.19 -0.47 0.28 0.23 0.00 0.00 176.91 177.12 3g4k h VAL 480 N 0.04 1.30 -0.82 -5.77 2.07 -1.30 -0.20 116.25 111.57 3g4k h VAL 480 Ca 0.03 -1.68 0.06 0.00 0.82 0.00 0.00 66.70 65.94 3g4k h VAL 480 Cb 0.10 1.63 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 3g4k h VAL 480 CO -0.00 0.53 0.50 -0.74 0.02 0.00 0.00 177.57 177.88 3g4k h HIS 481 N 0.51 0.93 -0.37 1.57 6.17 -0.92 0.29 115.15 123.32 3g4k h HIS 481 Ca 0.03 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.13 3g4k h HIS 481 Cb 1.01 -0.30 -0.02 0.00 2.52 0.00 0.00 27.41 30.63 3g4k h HIS 481 CO 0.05 0.47 0.19 0.00 0.71 0.00 0.00 177.93 179.35 3g4k h ALA 483 N 1.05 1.18 -0.86 0.00 0.00 -0.36 -1.19 119.26 119.07 3g4k h ALA 483 Ca 0.13 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 3g4k h ALA 483 Cb 0.08 -0.28 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 3g4k h ALA 483 CO -0.02 0.60 0.46 0.22 0.00 0.00 0.00 179.25 180.52 3g4k h ASP 484 N 1.02 1.08 -0.95 0.00 3.58 -0.32 -3.03 116.42 117.81 3g4k h ASP 484 Ca 0.24 -0.10 -0.63 0.00 0.42 0.00 0.00 57.03 56.97 3g4k h ASP 484 Cb 0.18 -0.27 -0.30 0.00 1.72 0.00 0.00 39.33 40.66 3g4k h ASP 484 CO -0.02 0.87 0.63 0.18 -2.88 0.00 0.00 179.24 178.02 3g4k n LEU 485 N -4.33 7.16 -0.01 2.28 4.77 -0.44 -4.60 117.00 121.83 3g4k n LEU 485 Ca 0.09 -4.23 0.10 0.00 -0.03 0.00 0.00 56.01 51.95 3g4k n LEU 485 Cb 0.10 -0.88 -0.04 0.00 -2.33 0.00 0.00 43.42 40.27 3g4k n LEU 485 CO 0.39 1.47 0.06 -1.54 -1.33 0.00 0.00 177.39 176.44 3g4k n SER 486 N -0.94 0.91 -0.12 -1.43 3.41 -0.53 -4.57 113.62 110.35 3g4k n SER 486 Ca 0.59 -0.85 -0.04 0.00 -0.26 0.00 0.00 58.87 58.31 3g4k n SER 486 Cb 0.85 0.84 0.03 0.00 -0.26 0.00 0.00 64.21 65.66 3g4k n SER 486 CO 0.00 0.00 0.00 0.78 -0.16 0.00 0.00 175.04 175.66 3g4k h ASN 487 N 0.03 -0.20 0.47 4.04 -0.26 -1.83 -0.33 115.58 117.50 3g4k h ASN 487 Ca 0.00 0.10 0.00 0.00 -0.56 0.00 0.00 56.30 55.84 3g4k h ASN 487 Cb 0.50 0.18 0.00 0.00 -1.06 0.00 0.00 38.32 37.94 3g4k h ASN 487 CO 0.00 -0.06 0.00 -2.65 -1.06 0.00 0.00 177.43 173.66 3g4k n PRO 488 N -5.22 0.03 0.00 0.81 -0.02 -1.26 -1.88 135.00 127.47 3g4k n PRO 488 Ca 0.03 0.31 0.13 0.00 -2.02 0.00 0.00 63.50 61.95 3g4k n PRO 488 Cb 0.22 -1.56 0.37 0.00 -0.02 0.00 0.00 33.50 32.50 3g4k n PRO 488 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 3g4k n THR 489 N -1.62 0.00 -2.49 3.45 -2.24 -0.14 -4.05 114.28 107.18 3g4k n THR 489 Ca 0.03 -0.24 -0.24 0.00 -2.27 0.00 0.00 64.05 61.33 3g4k n THR 489 Cb 0.16 0.67 0.04 0.00 -2.10 0.00 0.00 70.33 69.10 3g4k n THR 489 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3g4k s LYS 490 N -2.22 2.56 0.13 -0.78 -0.14 -0.79 -4.53 119.74 113.98 3g4k s LYS 490 Ca 0.30 -0.43 -0.35 0.00 -1.36 0.00 0.00 55.97 54.14 3g4k s LYS 490 Cb 0.20 -2.35 -0.16 0.00 -1.68 0.00 0.00 37.83 33.84 3g4k s LYS 490 CO 0.42 -0.84 1.27 -2.30 -0.76 0.00 0.00 175.35 173.14 3g4k n PRO 491 N -2.55 1.21 -0.34 -1.68 -0.02 -1.26 -4.60 135.00 125.76 3g4k n PRO 491 Ca 0.07 0.43 0.20 0.00 -2.02 0.00 0.00 63.50 62.18 3g4k n PRO 491 Cb 0.59 -2.02 0.41 0.00 -0.02 0.00 0.00 33.50 32.47 3g4k n PRO 491 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 3g4k h LEU 492 N 4.06 0.60 -1.65 2.45 5.85 -1.95 0.42 115.31 125.09 3g4k h LEU 492 Ca -0.45 0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.43 3g4k h LEU 492 Cb 1.33 0.07 -0.02 0.00 0.37 0.00 0.00 40.66 42.42 3g4k h LEU 492 CO 0.75 0.01 0.24 -0.61 -0.34 0.00 0.00 178.44 178.49 3g4k h GLN 493 N 0.48 0.47 0.08 1.25 -0.00 -2.00 0.57 115.11 115.96 3g4k h GLN 493 Ca 0.67 -0.03 -0.11 0.00 -0.00 0.00 0.00 58.65 59.18 3g4k h GLN 493 Cb 1.38 -0.11 0.01 0.00 0.00 0.00 0.00 27.48 28.77 3g4k h GLN 493 CO -0.53 0.31 -0.49 -0.07 0.00 0.00 0.00 178.83 178.06 3g4k h LEU 494 N 0.48 0.30 -0.35 -2.39 3.38 -0.55 -3.25 115.31 112.93 3g4k h LEU 494 Ca 0.14 -0.94 0.07 0.00 0.09 0.00 0.00 57.88 57.23 3g4k h LEU 494 Cb -0.04 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.56 3g4k h LEU 494 CO -0.03 1.22 -0.03 0.22 0.09 0.00 0.00 178.44 179.90 3g4k h TYR 495 N -0.57 -0.08 -0.34 1.13 3.20 -0.74 -2.23 116.97 117.34 3g4k h TYR 495 Ca -0.08 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.78 3g4k h TYR 495 Cb 1.36 0.09 -0.02 0.00 1.54 0.00 0.00 36.73 39.70 3g4k h TYR 495 CO 0.22 -0.10 0.07 0.00 -1.64 0.00 0.00 178.16 176.71 3g4k h ARG 496 N 0.06 0.51 -0.37 1.82 3.08 -1.04 0.13 114.38 118.57 3g4k h ARG 496 Ca 0.17 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 60.05 3g4k h ARG 496 Cb 0.25 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 3g4k h ARG 496 CO -0.31 0.48 -0.13 1.96 -1.07 0.00 0.00 179.97 180.90 3g4k h GLN 497 N 0.50 0.66 -0.41 0.04 4.20 -1.47 -0.97 115.11 117.65 3g4k h GLN 497 Ca 0.12 -0.21 -0.10 0.00 0.06 0.00 0.00 58.65 58.51 3g4k h GLN 497 Cb 0.22 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 3g4k h GLN 497 CO -0.00 0.77 -0.15 -1.49 -0.67 0.00 0.00 178.83 177.29 3g4k h TRP 498 N 0.60 0.95 -0.46 2.96 -0.00 -0.64 -2.08 115.95 117.28 3g4k h TRP 498 Ca 0.10 -0.22 0.03 0.00 -0.00 0.00 0.00 58.89 58.80 3g4k h TRP 498 Cb 0.57 -0.22 -0.03 0.00 -0.00 0.00 0.00 29.16 29.47 3g4k h TRP 498 CO 0.03 0.97 0.26 1.15 -0.00 0.00 0.00 178.44 180.84 3g4k h THR 499 N 0.65 1.01 -0.85 1.49 2.02 -0.88 0.29 112.91 116.65 3g4k h THR 499 Ca 0.10 -0.17 0.03 0.00 0.77 0.00 0.00 66.41 67.13 3g4k h THR 499 Cb 0.69 0.46 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 3g4k h THR 499 CO 0.05 0.09 0.55 0.44 0.37 0.00 0.00 175.52 177.02 3g4k h ASP 500 N 0.51 0.92 -0.22 4.18 3.32 -1.07 -1.45 116.42 122.61 3g4k h ASP 500 Ca 0.19 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 57.15 3g4k h ASP 500 Cb 0.05 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 39.39 3g4k h ASP 500 CO -0.11 0.64 -0.17 0.03 -1.72 0.00 0.00 179.24 177.91 3g4k h ARG 501 N 1.08 0.51 -0.27 3.56 3.08 -0.97 -2.00 114.38 119.36 3g4k h ARG 501 Ca 0.33 -0.25 -0.09 0.00 0.07 0.00 0.00 59.98 60.04 3g4k h ARG 501 Cb -0.02 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.02 3g4k h ARG 501 CO -0.11 0.82 -0.22 0.97 -1.07 0.00 0.00 179.97 180.37 3g4k h ILE 502 N 0.20 1.26 -0.16 2.04 6.09 -0.73 -1.38 117.51 124.83 3g4k h ILE 502 Ca 0.04 -1.21 -0.20 0.00 -1.37 0.00 0.00 64.86 62.12 3g4k h ILE 502 Cb 0.70 1.29 0.00 0.00 0.47 0.00 0.00 36.82 39.29 3g4k h ILE 502 CO 0.05 0.39 -0.71 0.24 -3.07 0.00 0.00 178.15 175.04 3g4k h MET 503 N 0.45 0.68 -0.47 2.19 2.86 -1.28 0.97 114.93 120.34 3g4k h MET 503 Ca 0.07 -0.52 0.03 0.00 -2.06 0.00 0.00 59.70 57.21 3g4k h MET 503 Cb 0.63 0.10 -0.03 0.00 0.06 0.00 0.00 31.60 32.35 3g4k h MET 503 CO 0.04 1.14 0.26 1.49 1.06 0.00 0.00 176.91 180.91 3g4k h GLU 504 N 0.48 0.51 0.09 1.72 4.81 -1.14 0.36 114.58 121.41 3g4k h GLU 504 Ca -0.03 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3g4k h GLU 504 Cb 1.31 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 30.58 3g4k h GLU 504 CO 0.14 0.34 -0.04 1.49 -0.73 0.00 0.00 179.01 180.21 3g4k h GLU 505 N 0.53 -0.11 -0.40 1.92 4.81 -1.09 -1.64 114.58 118.60 3g4k h GLU 505 Ca 0.19 0.01 0.04 0.00 -0.13 0.00 0.00 59.36 59.47 3g4k h GLU 505 Cb 0.04 0.03 -0.04 0.00 0.63 0.00 0.00 28.75 29.41 3g4k h GLU 505 CO -0.10 0.10 0.16 0.74 -0.73 0.00 0.00 179.01 179.17 3g4k h PHE 506 N -0.31 0.28 -0.50 0.92 -1.00 -0.64 -1.96 116.94 113.74 3g4k h PHE 506 Ca -0.01 0.02 -0.06 0.00 2.81 0.00 0.00 57.97 60.73 3g4k h PHE 506 Cb 0.26 -0.07 -0.02 0.00 3.61 0.00 0.00 35.95 39.73 3g4k h PHE 506 CO -0.01 0.13 0.08 0.74 -1.61 0.00 0.00 178.31 177.64 3g4k h PHE 507 N 0.33 0.82 -0.64 -0.55 0.04 -0.24 -1.11 116.94 115.59 3g4k h PHE 507 Ca 0.18 -0.09 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 3g4k h PHE 507 Cb 0.14 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.02 3g4k h PHE 507 CO -0.13 0.71 0.36 -0.09 -0.60 0.00 0.00 178.31 178.56 3g4k h ARG 508 N 0.75 0.88 -0.51 1.51 1.12 -0.99 0.23 114.38 117.37 3g4k h ARG 508 Ca 0.16 -0.10 -0.01 0.00 -1.11 0.00 0.00 59.98 58.93 3g4k h ARG 508 Cb 0.34 -0.18 -0.02 0.00 -0.01 0.00 0.00 29.97 30.10 3g4k h ARG 508 CO 0.01 0.65 0.29 0.37 -3.11 0.00 0.00 179.97 178.17 3g4k h GLN 509 N 0.87 0.70 -0.86 0.20 4.15 -0.83 -1.16 115.11 118.17 3g4k h GLN 509 Ca 0.23 -0.08 0.03 0.00 0.77 0.00 0.00 58.65 59.59 3g4k h GLN 509 Cb 0.02 -0.14 -0.05 0.00 0.21 0.00 0.00 27.48 27.52 3g4k h GLN 509 CO -0.04 0.54 0.57 0.78 -1.93 0.00 0.00 178.83 178.75 3g4k h GLY 510 N 0.68 1.22 1.00 2.39 0.00 -0.88 0.12 103.07 107.60 3g4k h GLY 510 Ca 0.18 -0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.05 3g4k h GLY 510 CO -0.03 0.39 0.32 -0.55 0.00 0.00 0.00 176.54 176.67 3g4k h ASP 511 N 1.10 0.88 -0.27 0.19 3.32 -0.50 0.21 116.42 121.35 3g4k h ASP 511 Ca 0.33 -0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 3g4k h ASP 511 Cb -0.03 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.29 3g4k h ASP 511 CO -0.09 0.77 0.06 0.03 -1.72 0.00 0.00 179.24 178.29 3g4k h ARG 512 N 0.93 0.44 -0.36 3.56 3.08 -0.66 -1.70 114.38 119.66 3g4k h ARG 512 Ca 0.23 -0.11 0.01 0.00 0.07 0.00 0.00 59.98 60.18 3g4k h ARG 512 Cb 0.12 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.10 3g4k h ARG 512 CO -0.03 0.54 0.21 0.93 -1.07 0.00 0.00 179.97 180.55 3g4k h GLU 513 N 0.27 0.42 -0.08 0.04 5.08 -0.51 -2.03 114.58 117.77 3g4k h GLU 513 Ca 0.09 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.43 3g4k h GLU 513 Cb 0.30 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3g4k h GLU 513 CO 0.00 0.28 0.02 -0.09 -1.00 0.00 0.00 179.01 178.22 3g4k h ARG 514 N 0.43 0.06 0.00 2.33 2.43 -0.51 0.11 114.38 119.23 3g4k h ARG 514 Ca 0.14 -0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3g4k h ARG 514 Cb -0.00 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3g4k h ARG 514 CO -0.06 0.04 -0.10 1.05 -1.51 0.00 0.00 179.97 179.39 3g4k h GLU 515 N 0.06 0.00 -0.01 0.20 4.11 -1.23 -1.42 114.58 116.30 3g4k h GLU 515 Ca 0.03 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.46 3g4k h GLU 515 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3g4k h GLU 515 CO -0.04 0.10 -0.21 0.54 0.07 0.00 0.00 179.01 179.48 3g4k n ARG 516 N -3.85 0.77 -1.10 1.06 1.74 -0.77 -4.93 116.66 109.58 3g4k n ARG 516 Ca -0.02 -0.39 -0.03 0.00 -0.77 0.00 0.00 57.85 56.64 3g4k n ARG 516 Cb 0.20 -1.49 -0.01 0.00 -1.02 0.00 0.00 32.46 30.13 3g4k n ARG 516 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g4k n GLY 517 N 1.32 0.60 3.91 -0.13 0.00 -0.53 -5.03 105.19 105.33 3g4k n GLY 517 Ca 0.13 -0.94 -0.27 0.00 0.00 0.00 0.00 46.02 44.94 3g4k n GLY 517 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3g4k s MET 518 N -2.29 3.55 0.31 1.61 -1.94 0.29 -5.01 119.30 115.83 3g4k s MET 518 Ca 0.00 0.10 -0.29 0.00 -1.71 0.00 0.00 55.69 53.79 3g4k s MET 518 Cb 0.00 -2.45 -0.11 0.00 2.01 0.00 0.00 34.83 34.28 3g4k s MET 518 CO 0.00 -0.10 1.50 -1.21 -0.01 0.00 0.00 175.02 175.20 3g4k s GLU 519 N -4.52 4.17 -0.07 2.03 2.02 -1.26 -4.26 118.70 116.81 3g4k s GLU 519 Ca 0.46 2.49 -0.27 0.00 0.02 0.00 0.00 54.97 57.66 3g4k s GLU 519 Cb -0.10 -3.03 -0.03 0.00 0.10 0.00 0.00 34.13 31.08 3g4k s GLU 519 CO 0.41 -0.51 0.89 0.42 0.02 0.00 0.00 175.26 176.49 3g4k s ILE 520 N -0.47 4.90 0.79 -1.63 1.01 -1.26 -4.86 121.20 119.67 3g4k s ILE 520 Ca 0.58 1.82 -0.12 0.00 0.00 0.00 0.00 60.65 62.93 3g4k s ILE 520 Cb -0.45 -4.22 0.07 0.00 0.01 0.00 0.00 42.46 37.87 3g4k s ILE 520 CO 0.52 0.13 1.15 -0.44 0.00 0.00 0.00 174.94 176.30 3g4k s SER 521 N 1.00 3.97 0.13 3.58 0.01 -1.26 -4.88 113.70 116.25 3g4k s SER 521 Ca 0.45 2.14 -0.35 0.00 1.31 0.00 0.00 55.95 59.50 3g4k s SER 521 Cb -0.19 -2.56 -0.16 0.00 0.21 0.00 0.00 66.02 63.32 3g4k s SER 521 CO 0.21 -2.40 1.37 -2.65 0.41 0.00 0.00 173.24 170.18 3g4k n PRO 522 N -3.34 1.46 -1.03 12.44 -0.02 -1.26 -1.77 135.00 141.47 3g4k n PRO 522 Ca 0.12 0.52 -0.01 0.00 -2.02 0.00 0.00 63.50 62.11 3g4k n PRO 522 Cb 0.52 -2.17 -0.01 0.00 -0.02 0.00 0.00 33.50 31.82 3g4k n PRO 522 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 3g4k n MET 523 N 2.57 -0.78 0.00 -0.52 2.81 -1.26 -4.86 117.12 115.08 3g4k n MET 523 Ca 0.17 0.29 0.07 0.00 -1.81 0.00 0.00 57.70 56.42 3g4k n MET 523 Cb 0.23 -3.93 0.04 0.00 -0.71 0.00 0.00 33.22 28.86 3g4k n MET 523 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3g4k s ASP 525 N -1.41 6.20 0.46 0.00 -1.08 -1.26 -3.65 116.67 115.94 3g4k s ASP 525 Ca 0.16 -1.15 0.31 0.00 -0.52 0.00 0.00 52.55 51.35 3g4k s ASP 525 Cb 0.12 -2.32 1.61 0.00 -1.46 0.00 0.00 42.92 40.88 3g4k s ASP 525 CO 0.24 -1.07 1.94 0.07 0.52 0.00 0.00 175.17 176.87 3g4k h LYS 526 N 9.16 0.00 0.00 4.34 2.10 -1.89 -2.09 116.57 128.19 3g4k h LYS 526 Ca -0.29 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 3g4k h LYS 526 Cb 1.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.42 3g4k h LYS 526 CO 1.06 0.00 -0.80 0.45 -2.00 0.00 0.00 179.45 178.16 3g4k h HIS 527 N 0.00 0.00 -1.95 0.07 3.86 -2.00 -3.37 115.15 111.76 3g4k h HIS 527 Ca 0.00 0.00 -0.49 0.00 -1.16 0.00 0.00 60.37 58.72 3g4k h HIS 527 Cb 0.08 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.15 3g4k h HIS 527 CO 0.00 0.00 -1.11 0.09 0.86 0.00 0.00 177.93 177.77 3g4k n ASN 528 N -2.25 1.50 -4.91 2.45 3.02 -0.82 -5.12 115.26 109.14 3g4k n ASN 528 Ca 0.02 -3.10 -0.32 0.00 -0.03 0.00 0.00 54.58 51.15 3g4k n ASN 528 Cb 0.47 -0.60 -0.05 0.00 -0.61 0.00 0.00 39.78 38.99 3g4k n ASN 528 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g4k s ALA 529 N -2.67 3.97 -0.47 5.41 0.00 -1.01 -4.75 121.76 122.24 3g4k s ALA 529 Ca 0.40 -0.79 0.07 0.00 0.00 0.00 0.00 51.96 51.64 3g4k s ALA 529 Cb 0.35 -1.86 0.25 0.00 0.00 0.00 0.00 23.12 21.87 3g4k s ALA 529 CO -0.08 0.78 0.60 0.43 0.00 0.00 0.00 175.76 177.49 3g4k n SER 530 N 0.72 1.36 -0.19 0.00 7.64 -1.26 -4.99 113.62 116.88 3g4k n SER 530 Ca -0.09 -2.95 0.00 0.00 1.01 0.00 0.00 58.87 56.85 3g4k n SER 530 Cb 0.52 -0.65 0.10 0.00 -1.01 0.00 0.00 64.21 63.18 3g4k n SER 530 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3g4k h VAL 531 N 2.34 0.65 -0.06 0.44 2.07 -1.98 0.54 116.25 120.25 3g4k h VAL 531 Ca 0.11 -0.09 -0.08 0.00 0.82 0.00 0.00 66.70 67.46 3g4k h VAL 531 Cb 0.81 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.95 3g4k h VAL 531 CO 0.58 0.05 -0.28 -0.33 0.02 0.00 0.00 177.57 177.61 3g4k h GLU 532 N 0.25 0.30 -0.08 1.57 3.07 -1.91 -2.31 114.58 115.48 3g4k h GLU 532 Ca 0.31 -0.24 -0.09 0.00 -0.50 0.00 0.00 59.36 58.84 3g4k h GLU 532 Cb 0.45 0.05 -0.01 0.00 -0.84 0.00 0.00 28.75 28.40 3g4k h GLU 532 CO -0.39 0.88 -0.35 -0.22 -1.40 0.00 0.00 179.01 177.52 3g4k h LYS 533 N -0.20 0.16 -0.24 2.33 3.64 -1.82 -2.51 116.57 117.92 3g4k h LYS 533 Ca -0.02 -0.06 -0.11 0.00 -1.27 0.00 0.00 60.65 59.19 3g4k h LYS 533 Cb 0.92 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.72 3g4k h LYS 533 CO 0.06 0.50 -0.32 0.77 -2.27 0.00 0.00 179.45 178.19 3g4k h SER 534 N 0.14 0.50 -0.46 4.20 0.02 -0.83 -1.35 113.55 115.76 3g4k h SER 534 Ca 0.02 -0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 60.67 3g4k h SER 534 Cb 0.70 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 3g4k h SER 534 CO 0.05 0.79 -0.10 1.56 -1.14 0.00 0.00 176.83 178.00 3g4k h GLN 535 N 0.42 0.93 -0.39 3.45 1.08 -1.07 0.71 115.11 120.25 3g4k h GLN 535 Ca 0.05 -0.33 -0.10 0.00 -1.45 0.00 0.00 58.65 56.82 3g4k h GLN 535 Cb 0.76 -0.07 -0.01 0.00 -0.05 0.00 0.00 27.48 28.11 3g4k h GLN 535 CO 0.06 0.98 -0.16 0.28 -0.95 0.00 0.00 178.83 179.04 3g4k h VAL 536 N 0.83 1.28 -0.44 -0.54 2.07 -1.35 -0.70 116.25 117.40 3g4k h VAL 536 Ca 0.14 -1.28 -0.11 0.00 0.82 0.00 0.00 66.70 66.27 3g4k h VAL 536 Cb 0.63 1.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.67 3g4k h VAL 536 CO 0.04 0.43 -0.17 1.23 0.02 0.00 0.00 177.57 179.12 3g4k h GLY 537 N 0.60 0.92 0.89 2.17 0.00 -1.12 0.18 103.07 106.70 3g4k h GLY 537 Ca 0.09 -0.75 0.02 0.00 0.00 0.00 0.00 47.33 46.69 3g4k h GLY 537 CO 0.05 0.69 0.16 -2.75 0.00 0.00 0.00 176.54 174.69 3g4k h PHE 538 N 0.75 0.29 0.19 5.60 3.57 -0.78 0.12 116.94 126.69 3g4k h PHE 538 Ca 0.11 0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.62 3g4k h PHE 538 Cb 0.69 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.34 3g4k h PHE 538 CO 0.04 0.17 -0.09 0.82 -2.23 0.00 0.00 178.31 177.01 3g4k h ILE 539 N 0.33 0.84 -0.63 1.41 2.04 -0.85 -0.63 117.51 120.02 3g4k h ILE 539 Ca 0.12 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.79 3g4k h ILE 539 Cb 0.03 0.92 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 3g4k h ILE 539 CO -0.08 0.03 0.17 0.44 0.00 0.00 0.00 178.15 178.71 3g4k h ASP 540 N -0.32 0.92 0.00 1.72 3.32 -0.42 0.33 116.42 121.98 3g4k h ASP 540 Ca -0.03 -0.18 0.00 0.00 0.02 0.00 0.00 57.03 56.85 3g4k h ASP 540 Cb 0.25 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.55 3g4k h ASP 540 CO 0.04 0.89 -1.90 -1.22 -1.72 0.00 0.00 179.24 175.33 3g4k n TYR 541 N -4.26 0.00 0.07 4.55 4.02 0.41 -4.45 117.16 117.51 3g4k n TYR 541 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.94 3g4k n TYR 541 Cb 0.24 -0.45 0.00 0.00 -0.02 0.00 0.00 39.34 39.11 3g4k n TYR 541 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 176.86 174.96 3g4k n ILE 542 N -2.18 0.74 0.01 -0.72 5.41 -0.64 -4.78 119.36 117.19 3g4k n ILE 542 Ca -0.03 0.24 -0.18 0.00 1.00 0.00 0.00 62.75 63.78 3g4k n ILE 542 Cb 0.52 -1.22 -0.10 0.00 -0.71 0.00 0.00 39.64 38.13 3g4k n ILE 542 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 176.55 177.13 3g4k h VAL 543 N 0.00 1.36 -0.07 1.39 2.07 -1.01 -2.54 116.25 117.45 3g4k h VAL 543 Ca 0.00 -2.11 -0.05 0.00 0.82 0.00 0.00 66.70 65.36 3g4k h VAL 543 Cb 0.08 2.46 0.00 0.00 -1.52 0.00 0.00 31.29 32.30 3g4k h VAL 543 CO 0.00 0.63 -0.17 -0.74 0.02 0.00 0.00 177.57 177.32 3g4k h HIS 544 N 0.12 0.30 -0.83 1.57 -0.00 -0.56 -0.38 115.15 115.38 3g4k h HIS 544 Ca -0.09 -0.11 0.15 0.00 -0.00 0.00 0.00 60.37 60.31 3g4k h HIS 544 Cb 1.44 -0.05 -0.09 0.00 -0.00 0.00 0.00 27.41 28.70 3g4k h HIS 544 CO 0.13 0.77 0.41 -1.35 -0.00 0.00 0.00 177.93 177.89 3g4k h PRO 545 N -0.26 0.57 0.78 5.26 0.11 -1.74 0.21 132.00 136.92 3g4k h PRO 545 Ca -0.00 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.04 3g4k h PRO 545 Cb 0.77 -0.13 0.01 0.00 0.11 0.00 0.00 31.00 31.76 3g4k h PRO 545 CO 0.04 0.37 -0.37 1.25 -0.21 0.00 0.00 178.00 179.08 3g4k h LEU 546 N 0.58 -0.89 -1.38 2.35 5.85 -1.31 -2.67 115.31 117.85 3g4k h LEU 546 Ca 0.45 0.02 -0.05 0.00 0.84 0.00 0.00 57.88 59.14 3g4k h LEU 546 Cb 0.66 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 3g4k h LEU 546 CO -0.37 -0.59 -0.24 -0.50 -0.34 0.00 0.00 178.44 176.40 3g4k h TRP 547 N -1.12 0.00 -0.34 1.25 4.06 -0.85 -0.04 115.95 118.91 3g4k h TRP 547 Ca -0.11 0.00 -0.15 0.00 2.06 0.00 0.00 58.89 60.70 3g4k h TRP 547 Cb 0.82 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 28.97 3g4k h TRP 547 CO -0.01 0.24 -0.37 1.49 -3.56 0.00 0.00 178.44 176.23 3g4k h GLU 548 N 0.00 0.80 -0.05 0.49 4.81 -0.63 0.44 114.58 120.44 3g4k h GLU 548 Ca -0.00 -0.40 -0.22 0.00 -0.13 0.00 0.00 59.36 58.61 3g4k h GLU 548 Cb 0.62 0.01 0.01 0.00 0.63 0.00 0.00 28.75 30.01 3g4k h GLU 548 CO 0.03 1.03 -0.87 1.15 -0.73 0.00 0.00 179.01 179.63 3g4k h THR 549 N 0.66 1.35 0.24 0.32 2.02 -1.02 -2.10 112.91 114.37 3g4k h THR 549 Ca 0.06 -2.23 -0.01 0.00 0.77 0.00 0.00 66.41 65.00 3g4k h THR 549 Cb 0.92 2.24 -0.00 0.00 -1.74 0.00 0.00 68.15 69.57 3g4k h THR 549 CO 0.08 0.68 -0.14 -0.25 0.37 0.00 0.00 175.52 176.26 3g4k h TRP 550 N 0.34 -0.36 -0.82 3.16 2.91 -1.03 -1.99 115.95 118.15 3g4k h TRP 550 Ca -0.07 -0.00 0.20 0.00 1.13 0.00 0.00 58.89 60.15 3g4k h TRP 550 Cb 1.49 0.13 -0.13 0.00 -0.51 0.00 0.00 29.16 30.13 3g4k h TRP 550 CO 0.07 -0.22 0.15 0.00 -1.03 0.00 0.00 178.44 177.40 3g4k h ALA 551 N 0.39 1.05 -0.48 2.65 0.00 -0.84 -0.45 119.26 121.59 3g4k h ALA 551 Ca -0.02 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 3g4k h ALA 551 Cb 0.30 0.34 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3g4k h ALA 551 CO 0.03 -0.43 0.22 -0.44 0.00 0.00 0.00 179.25 178.63 3g4k h ASP 552 N 0.18 0.64 -0.91 0.00 3.32 -1.26 0.13 116.42 118.53 3g4k h ASP 552 Ca 0.48 -0.14 0.02 0.00 0.02 0.00 0.00 57.03 57.41 3g4k h ASP 552 Cb 0.91 -0.17 -0.05 0.00 0.22 0.00 0.00 39.33 40.25 3g4k h ASP 552 CO -0.64 0.61 0.60 0.25 -1.72 0.00 0.00 179.24 178.34 3g4k h LEU 553 N 0.63 1.01 -3.38 1.55 5.85 -0.35 -2.99 115.31 117.64 3g4k h LEU 553 Ca 0.16 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3g4k h LEU 553 Cb 0.15 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.94 3g4k h LEU 553 CO -0.02 0.72 0.00 1.33 -0.34 0.00 0.00 178.44 180.13 3g4k n VAL 554 N -4.48 2.47 -1.61 1.05 0.24 -0.56 -4.96 118.33 110.48 3g4k n VAL 554 Ca 0.11 -1.70 -0.47 0.00 -2.04 0.00 0.00 64.34 60.24 3g4k n VAL 554 Cb 0.05 -0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 32.13 3g4k n VAL 554 CO 0.00 0.00 0.00 1.57 -2.14 0.00 0.00 176.83 176.26 3g4k n HIS 555 N -0.08 1.53 -0.47 6.34 -0.00 0.44 -0.30 115.22 122.68 3g4k n HIS 555 Ca 0.24 0.62 0.06 0.00 -0.00 0.00 0.00 57.72 58.64 3g4k n HIS 555 Cb 1.01 -2.32 0.32 0.00 -0.00 0.00 0.00 29.99 29.00 3g4k n HIS 555 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3g4k n PRO 556 N 1.65 4.01 -0.28 1.57 -0.04 -1.26 -4.98 135.00 135.65 3g4k n PRO 556 Ca 0.13 -2.50 0.24 0.00 -0.04 0.00 0.00 63.50 61.33 3g4k n PRO 556 Cb 0.28 -2.07 0.56 0.00 -0.04 0.00 0.00 33.50 32.23 3g4k n PRO 556 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 3g4k h ASP 557 N 3.24 0.33 -0.48 3.54 5.19 -0.93 -2.66 116.42 124.65 3g4k h ASP 557 Ca 0.00 0.05 0.00 0.00 -0.62 0.00 0.00 57.03 56.46 3g4k h ASP 557 Cb 1.62 -0.00 0.00 0.00 0.18 0.00 0.00 39.33 41.13 3g4k h ASP 557 CO 0.37 0.09 0.00 0.00 -3.12 0.00 0.00 179.24 176.58 3g4k n ALA 558 N -2.55 3.13 -0.08 3.45 0.00 -1.26 -4.64 120.51 118.56 3g4k n ALA 558 Ca 0.23 -1.83 -0.10 0.00 0.00 0.00 0.00 53.44 51.73 3g4k n ALA 558 Cb 0.88 -0.87 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 3g4k n ALA 558 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 3g4k h GLN 559 N 3.12 0.38 -0.56 0.00 5.75 -1.83 -0.80 115.11 121.17 3g4k h GLN 559 Ca 0.00 -0.07 0.07 0.00 -0.15 0.00 0.00 58.65 58.50 3g4k h GLN 559 Cb 1.48 -0.06 -0.06 0.00 1.07 0.00 0.00 27.48 29.91 3g4k h GLN 559 CO 0.26 0.43 0.24 -0.44 -2.65 0.00 0.00 178.83 176.67 3g4k h ASP 560 N 0.25 0.29 -0.48 -0.69 5.19 -1.85 0.52 116.42 119.66 3g4k h ASP 560 Ca 0.08 0.05 -0.02 0.00 -0.62 0.00 0.00 57.03 56.53 3g4k h ASP 560 Cb 0.19 0.01 -0.02 0.00 0.18 0.00 0.00 39.33 39.69 3g4k h ASP 560 CO -0.01 0.19 0.24 0.40 -3.12 0.00 0.00 179.24 176.94 3g4k h ILE 561 N 0.45 1.18 -0.85 0.35 2.04 -1.82 -0.95 117.51 117.92 3g4k h ILE 561 Ca 0.27 -0.51 0.03 0.00 1.00 0.00 0.00 64.86 65.64 3g4k h ILE 561 Cb 0.26 0.64 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 3g4k h ILE 561 CO -0.24 0.20 0.55 -0.07 0.00 0.00 0.00 178.15 178.60 3g4k h LEU 562 N 0.63 0.92 -0.40 1.44 3.38 -0.34 -1.44 115.31 119.49 3g4k h LEU 562 Ca 0.16 -0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.09 3g4k h LEU 562 Cb 0.10 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 3g4k h LEU 562 CO -0.02 0.64 0.13 0.44 0.09 0.00 0.00 178.44 179.72 3g4k h ASP 563 N 1.08 0.58 -0.48 -0.43 3.32 -0.50 -1.22 116.42 118.77 3g4k h ASP 563 Ca 0.33 -0.20 -0.01 0.00 0.02 0.00 0.00 57.03 57.17 3g4k h ASP 563 Cb -0.02 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.35 3g4k h ASP 563 CO -0.11 0.63 0.27 0.74 -1.72 0.00 0.00 179.24 179.06 3g4k h THR 564 N 0.51 1.16 -0.50 0.35 2.02 -0.92 0.72 112.91 116.26 3g4k h THR 564 Ca 0.13 -0.40 0.07 0.00 0.77 0.00 0.00 66.41 66.98 3g4k h THR 564 Cb 0.25 0.55 -0.06 0.00 -1.74 0.00 0.00 68.15 67.15 3g4k h THR 564 CO -0.00 0.17 0.16 0.25 0.37 0.00 0.00 175.52 176.47 3g4k h LEU 565 N 0.64 0.14 -0.72 2.58 5.85 -1.05 0.33 115.31 123.09 3g4k h LEU 565 Ca 0.17 0.07 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 3g4k h LEU 565 Cb 0.03 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.10 3g4k h LEU 565 CO -0.03 0.11 0.04 -0.33 -0.34 0.00 0.00 178.44 177.88 3g4k h GLU 566 N 0.33 1.02 -0.59 1.25 5.08 -0.92 0.11 114.58 120.86 3g4k h GLU 566 Ca 0.24 -0.30 -0.09 0.00 -1.00 0.00 0.00 59.36 58.22 3g4k h GLU 566 Cb 0.27 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3g4k h GLU 566 CO -0.26 0.98 0.01 -0.44 -1.00 0.00 0.00 179.01 178.30 3g4k h ASP 567 N 0.94 0.98 -0.36 1.42 3.32 -0.35 -2.49 116.42 119.88 3g4k h ASP 567 Ca 0.18 -0.27 -0.13 0.00 0.02 0.00 0.00 57.03 56.83 3g4k h ASP 567 Cb 0.50 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 3g4k h ASP 567 CO 0.02 1.03 -0.26 0.78 -1.72 0.00 0.00 179.24 179.10 3g4k h ASN 568 N 0.93 0.89 -0.88 6.45 2.35 -0.09 -1.76 115.58 123.48 3g4k h ASN 568 Ca 0.17 -0.35 0.07 0.00 -0.55 0.00 0.00 56.30 55.64 3g4k h ASN 568 Cb 0.52 -0.25 -0.06 0.00 0.05 0.00 0.00 38.32 38.59 3g4k h ASN 568 CO 0.03 1.10 0.57 -0.09 -1.65 0.00 0.00 177.43 177.39 3g4k h ARG 569 N 0.74 0.94 0.09 0.81 1.12 -0.62 -1.74 114.38 115.72 3g4k h ARG 569 Ca 0.09 -0.06 -0.26 0.00 -1.11 0.00 0.00 59.98 58.64 3g4k h ARG 569 Cb 0.80 -0.21 0.01 0.00 -0.01 0.00 0.00 29.97 30.56 3g4k h ARG 569 CO 0.07 0.62 -1.15 0.93 -3.11 0.00 0.00 179.97 177.33 3g4k h GLU 570 N 0.97 0.38 -0.36 0.20 4.39 -1.27 -1.98 114.58 116.90 3g4k h GLU 570 Ca 0.38 -0.53 0.01 0.00 0.34 0.00 0.00 59.36 59.56 3g4k h GLU 570 Cb 0.24 0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 3g4k h GLU 570 CO -0.14 1.21 0.22 2.35 -1.16 0.00 0.00 179.01 181.49 3g4k h TRP 571 N 0.16 0.42 -0.39 4.33 7.01 -0.94 -1.34 115.95 125.20 3g4k h TRP 571 Ca -0.13 0.01 -0.08 0.00 2.11 0.00 0.00 58.89 60.80 3g4k h TRP 571 Cb 1.84 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 28.75 3g4k h TRP 571 CO 0.07 0.25 -0.08 1.88 -2.79 0.00 0.00 178.44 177.78 3g4k h TYR 572 N 0.45 0.82 -0.90 2.65 0.05 -1.37 -2.98 116.97 115.70 3g4k h TYR 572 Ca 0.14 -0.17 0.13 0.00 0.05 0.00 0.00 58.73 58.88 3g4k h TYR 572 Cb -0.02 -0.20 -0.09 0.00 1.01 0.00 0.00 36.73 37.43 3g4k h TYR 572 CO -0.07 0.87 0.51 0.37 -1.05 0.00 0.00 178.16 178.79 3g4k h GLN 573 N 0.54 0.75 0.00 4.88 5.75 -1.24 0.50 115.11 126.29 3g4k h GLN 573 Ca 0.10 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 58.55 3g4k h GLN 573 Cb 0.59 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.97 3g4k h GLN 573 CO 0.04 0.50 0.00 -1.13 -2.65 0.00 0.00 178.83 175.58 3g4k n SER 574 N -4.76 0.16 -0.51 -0.69 3.41 -0.51 -2.40 113.62 108.31 3g4k n SER 574 Ca 0.17 0.54 0.09 0.00 -0.26 0.00 0.00 58.87 59.41 3g4k n SER 574 Cb 0.39 -0.57 0.02 0.00 -0.26 0.00 0.00 64.21 63.79 3g4k n SER 574 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3g4k n THR 575 N -1.67 0.00 -2.28 6.66 -1.04 0.13 -4.96 114.28 111.12 3g4k n THR 575 Ca 0.03 -0.36 -0.42 0.00 -2.04 0.00 0.00 64.05 61.26 3g4k n THR 575 Cb 0.18 1.26 -0.03 0.00 -1.82 0.00 0.00 70.33 69.93 3g4k n THR 575 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3g4k s ILE 576 N -1.99 3.79 1.06 12.58 1.01 -1.00 -4.92 121.20 131.73 3g4k s ILE 576 Ca 0.17 1.19 -0.12 0.00 0.00 0.00 0.00 60.65 61.90 3g4k s ILE 576 Cb 0.15 -3.77 0.22 0.00 0.01 0.00 0.00 42.46 39.08 3g4k s ILE 576 CO 0.41 0.02 1.07 -2.16 0.00 0.00 0.00 174.94 174.28 3g4k s PRO 577 N 2.11 -0.09 0.00 2.79 0.04 -1.26 -5.07 135.00 133.51 3g4k s PRO 577 Ca 0.62 1.03 0.00 0.00 0.04 0.00 0.00 61.00 62.69 3g4k s PRO 577 Cb -0.31 -1.64 0.00 0.00 0.04 0.00 0.00 34.50 32.60 3g4k s PRO 577 CO 0.26 -3.22 0.00 0.94 0.04 0.00 0.00 177.00 175.02