============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 86 rings ring int. center anis. iso. PHE 12 1.000 -26.413 -59.095 78.107 -99.200 -91.000 HIS 14 0.900 -24.795 -56.228 83.207 -99.200 -91.000 HIS 22 0.900 -21.672 -29.084 76.403 -99.200 -91.000 HIS 23 0.900 -24.941 -28.303 79.513 -99.200 -91.000 HIS 24 0.900 -30.197 -31.678 76.211 -99.200 -91.000 PHE 29 1.000 -23.734 -44.211 76.383 -99.200 -91.000 TRP 31 1.040 -30.745 -49.262 78.022 -99.200 -91.000 TRP6 31 1.020 -30.169 -51.090 76.648 -99.200 -91.000 TRP 40 1.040 -35.918 -53.315 75.241 -99.200 -91.000 TRP6 40 1.020 -36.850 -51.293 76.024 -99.200 -91.000 TYR 41 0.840 -31.784 -51.110 68.102 -99.200 -91.000 HIS 42 0.900 -26.545 -48.896 75.699 -99.200 -91.000 PHE 43 1.000 -32.792 -42.738 73.585 -99.200 -91.000 PHE 51 1.000 -32.975 -34.033 64.725 -99.200 -91.000 TYR 53 0.840 -30.721 -39.278 71.680 -99.200 -91.000 TYR 54 0.840 -38.469 -33.664 71.926 -99.200 -91.000 TYR 56 0.840 -38.857 -40.185 65.448 -99.200 -91.000 PHE 59 1.000 -36.065 -46.368 67.254 -99.200 -91.000 PHE 60 1.000 -42.549 -48.329 63.489 -99.200 -91.000 HIS 67 0.900 -39.577 -54.724 57.623 -99.200 -91.000 HIS 70 0.900 -38.978 -42.953 56.852 -99.200 -91.000 TYR 74 0.840 -44.330 -39.080 72.391 -99.200 -91.000 HIS 80 0.900 -51.237 -24.662 75.195 -99.200 -91.000 TYR 82 0.840 -41.238 -23.240 76.745 -99.200 -91.000 TRP 84 1.040 -43.318 -30.530 70.871 -99.200 -91.000 TRP6 84 1.020 -43.698 -32.582 69.772 -99.200 -91.000 TYR 85 0.840 -43.167 -34.164 75.104 -99.200 -91.000 HIS 91 0.900 -54.342 -28.180 82.796 -99.200 -91.000 TRP 101 1.040 -45.600 -15.876 73.434 -99.200 -91.000 TRP6 101 1.020 -43.924 -14.708 72.250 -99.200 -91.000 PHE 105 1.000 -43.450 -11.097 69.347 -99.200 -91.000 TYR 127 0.840 -16.388 4.426 52.128 -99.200 -91.000 PHE 129 1.000 -19.660 1.850 62.420 -99.200 -91.000 PHE 133 1.000 -17.456 3.316 66.489 -99.200 -91.000 TRP 142 1.040 -20.492 1.097 69.768 -99.200 -91.000 TRP6 142 1.020 -19.756 -1.028 69.065 -99.200 -91.000 PHE 146 1.000 -23.164 3.831 65.486 -99.200 -91.000 PHE 163 1.000 -21.312 -18.954 51.637 -99.200 -91.000 TYR 176 0.840 -18.998 -28.451 62.406 -99.200 -91.000 TYR 184 0.840 -42.540 -24.510 66.619 -99.200 -91.000 TYR 189 0.840 -33.047 -31.472 72.029 -99.200 -91.000 PHE 196 1.000 -30.212 -26.065 60.040 -99.200 -91.000 PHE 200 1.000 -32.773 -23.088 55.897 -99.200 -91.000 TYR 210 0.840 -35.355 -28.958 64.445 -99.200 -91.000 PHE 212 1.000 -26.445 -23.417 61.635 -99.200 -91.000 PHE 217 1.000 -17.049 -18.636 60.224 -99.200 -91.000 PHE 232 1.000 -16.170 -1.212 64.109 -99.200 -91.000 TRP 243 1.040 -4.858 -16.616 72.445 -99.200 -91.000 TRP6 243 1.020 -5.975 -15.722 74.325 -99.200 -91.000 TYR 245 0.840 5.293 -18.262 73.346 -99.200 -91.000 PHE 257 1.000 -22.315 -15.288 65.719 -99.200 -91.000 TYR 266 0.840 -38.932 -14.821 70.887 -99.200 -91.000 PHE 269 1.000 -36.904 -9.383 74.937 -99.200 -91.000 HIS 270 0.900 -29.816 -13.259 73.339 -99.200 -91.000 PHE 273 1.000 -20.992 -15.404 74.377 -99.200 -91.000 TYR 279 0.840 -18.532 -9.750 63.217 -99.200 -91.000 TYR 280 0.840 -27.300 -11.296 63.809 -99.200 -91.000 HIS 281 0.900 -23.491 -8.721 55.868 -99.200 -91.000 PHE 289 1.000 -30.957 -8.665 66.295 -99.200 -91.000 TYR 290 0.840 -39.197 -8.080 68.292 -99.200 -91.000 PHE 299 1.000 -27.517 -4.409 82.338 -99.200 -91.000 TYR 302 0.840 -31.686 -10.511 80.928 -99.200 -91.000 HIS 305 0.900 -38.004 -12.677 80.853 -99.200 -91.000 TRP 314 1.040 -41.809 -10.832 74.291 -99.200 -91.000 TRP6 314 1.020 -41.973 -8.613 73.514 -99.200 -91.000 PHE 315 1.000 -37.078 -7.624 79.625 -99.200 -91.000 TRP 340 1.040 -27.281 -1.541 73.521 -99.200 -91.000 TRP6 340 1.020 -29.218 -0.260 73.117 -99.200 -91.000 HIS 342 0.900 -29.233 -9.095 71.839 -99.200 -91.000 PHE 353 1.000 -21.155 -16.631 57.237 -99.200 -91.000 PHE 357 1.000 -16.646 -6.480 68.852 -99.200 -91.000 HIS 359 0.900 -15.487 -2.273 72.644 -99.200 -91.000 TYR 370 0.840 -17.385 -12.119 85.368 -99.200 -91.000 HIS 371 0.900 -19.591 -6.444 88.612 -99.200 -91.000 PHE 386 1.000 -20.428 -19.916 75.635 -99.200 -91.000 TYR 387 0.840 -23.353 -17.596 82.328 -99.200 -91.000 PHE 388 1.000 -15.511 -13.676 76.070 -99.200 -91.000 PHE 391 1.000 -15.288 -11.209 81.634 -99.200 -91.000 HIS 395 0.900 -11.340 -9.228 81.373 -99.200 -91.000 TRP 396 1.040 -6.353 -12.995 86.367 -99.200 -91.000 TRP6 396 1.020 -5.456 -11.717 88.139 -99.200 -91.000 TYR 398 0.840 -5.890 -5.855 76.774 -99.200 -91.000 TRP 425 1.040 -4.010 6.799 84.823 -99.200 -91.000 TRP6 425 1.020 -2.552 5.469 86.123 -99.200 -91.000 TRP 438 1.040 -12.574 -10.704 88.911 -99.200 -91.000 TRP6 438 1.020 -11.626 -10.645 86.749 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3n9mC1 LYS 193 HA -1.34 -0.17 0.17 -0.75 4.32 2.22 3n9mC1 LYS 193 HB2 -1.21 0.01 0.01 -0.04 1.87 0.63 3n9mC1 LYS 193 HB3 -0.68 0.04 0.08 -0.04 1.79 1.19 3n9mC1 LYS 193 HG2 -2.94 -0.12 -0.14 -0.04 1.46 -1.78 3n9mC1 LYS 193 HG3 -1.16 0.03 -0.14 -0.04 1.46 0.15 3n9mC1 LYS 193 HD2 -1.13 0.03 -0.17 -0.04 1.69 0.38 3n9mC1 LYS 193 HD3 -1.11 0.14 -0.69 -0.04 1.68 -0.02 3n9mC1 LYS 193 HE2 -1.82 -0.15 -0.28 -0.04 2.99 0.69 3n9mC1 LYS 193 HE3 -3.92 -0.04 -0.26 -0.04 2.99 -1.27 3n9mC1 GLU 194 H -0.58 -0.02 0.02 -0.55 8.60 7.47 3n9mC1 GLU 194 HA -0.28 0.23 0.59 -0.75 4.29 4.08 3n9mC1 GLU 194 HB2 -0.20 -0.05 0.16 -0.04 2.09 1.96 3n9mC1 GLU 194 HB3 -0.15 -0.09 0.20 -0.04 1.99 1.90 3n9mC1 GLU 194 HG2 -0.10 0.04 0.00 -0.04 2.34 2.23 3n9mC1 GLU 194 HG3 -0.15 0.06 -0.08 -0.04 2.34 2.13 3n9mC1 SER 195 H -0.18 0.13 0.08 -0.55 8.46 7.95 3n9mC1 SER 195 HA -0.26 0.23 0.91 -0.75 4.49 4.60 3n9mC1 SER 195 HB2 -0.07 -0.01 0.15 -0.04 3.95 3.97 3n9mC1 SER 195 HB3 -0.07 -0.02 0.22 -0.04 3.93 4.02 3n9mC1 ASP 196 H -0.42 0.05 -0.43 -0.55 8.40 7.06 3n9mC1 ASP 196 HA -0.02 0.09 0.47 -0.75 4.63 4.42 3n9mC1 ASP 196 HB2 -0.25 0.04 -0.09 -0.04 2.71 2.36 3n9mC1 ASP 196 HB3 0.02 -0.00 0.17 -0.04 2.70 2.84 3n9mC1 ARG 197 H -0.09 0.11 0.17 -0.55 8.46 8.09 3n9mC1 ARG 197 HA -0.31 0.34 1.02 -0.75 4.34 4.64 3n9mC1 ARG 197 HB2 -0.63 0.37 0.01 -0.04 1.90 1.61 3n9mC1 ARG 197 HB3 -0.86 -0.06 -0.04 -0.04 1.80 0.80 3n9mC1 ARG 197 HG2 -0.13 -0.11 0.05 -0.04 1.67 1.43 3n9mC1 ARG 197 HG3 -0.15 -0.03 -0.36 -0.04 1.67 1.08 3n9mC1 ARG 197 HD2 -0.11 -0.04 0.00 -0.04 3.22 3.03 3n9mC1 ARG 197 HD3 -0.10 -0.05 -0.03 -0.04 3.22 3.00 3n9mC1 CYS 198 H 0.02 0.61 0.04 -0.55 8.50 8.62 3n9mC1 CYS 198 HA 0.08 0.44 0.61 -0.75 4.58 4.96 3n9mC1 CYS 198 HB2 -0.62 0.15 -0.03 -0.04 2.97 2.43 3n9mC1 CYS 198 HB3 -0.09 -0.05 0.13 -0.04 2.97 2.92 3n9mC1 GLY 199 H -0.44 0.57 0.29 -0.55 8.43 8.30 3n9mC1 GLY 199 HA2 -0.12 0.13 0.36 -0.51 4.01 3.88 3n9mC1 GLY 199 HA3 -0.40 0.03 0.33 -0.51 4.01 3.46 3n9mC1 GLY 200 H 0.03 -0.17 -0.61 -0.55 8.43 7.13 3n9mC1 GLY 200 HA2 0.15 0.28 0.91 -0.51 4.01 4.84 3n9mC1 GLY 200 HA3 0.20 0.05 0.28 -0.51 4.01 4.03 3n9mC1 CYS 201 H 0.03 -0.08 0.05 -0.55 8.50 7.96 3n9mC1 CYS 201 HA 0.06 0.25 0.72 -0.75 4.58 4.86 3n9mC1 CYS 201 HB2 0.09 0.08 0.17 -0.04 2.97 3.26 3n9mC1 CYS 201 HB3 0.10 0.01 -0.16 -0.04 2.97 2.89 3n9mC1 GLY 202 H -0.01 0.37 0.26 -0.55 8.43 8.51 3n9mC1 GLY 202 HA2 -0.07 0.07 0.38 -0.51 4.01 3.88 3n9mC1 GLY 202 HA3 -0.02 0.11 0.40 -0.51 4.01 3.99 3n9mC1 LYS 203 H 0.04 0.00 -0.50 -0.55 8.42 7.40 3n9mC1 LYS 203 HA 0.05 0.11 0.34 -0.75 4.32 4.07 3n9mC1 LYS 203 HB2 0.20 -0.09 0.05 -0.04 1.87 1.99 3n9mC1 LYS 203 HB3 0.19 0.03 0.18 -0.04 1.79 2.15 3n9mC1 LYS 203 HG2 0.11 0.02 0.05 -0.04 1.46 1.60 3n9mC1 LYS 203 HG3 0.09 0.05 0.04 -0.04 1.46 1.60 3n9mC1 LYS 203 HD2 0.09 -0.03 0.04 -0.04 1.69 1.75 3n9mC1 LYS 203 HD3 0.13 0.06 0.07 -0.04 1.68 1.90 3n9mC1 LYS 203 HE2 0.08 -0.00 0.03 -0.04 2.99 3.06 3n9mC1 LYS 203 HE3 0.06 -0.01 0.04 -0.04 2.99 3.03 3n9mC1 PHE 204 H 0.23 0.10 0.16 -0.55 8.34 8.27 3n9mC1 PHE 204 HA -0.02 0.37 0.92 -0.75 4.62 5.14 3n9mC1 PHE 204 HB2 -0.38 -0.05 0.10 -0.04 3.15 2.78 3n9mC1 PHE 204 HB3 -0.50 -0.14 0.17 -0.04 3.06 2.55 3n9mC1 PHE 204 HD2 -0.06 0.13 -0.05 -0.04 7.28 7.26 3n9mC1 PHE 204 HE2 -0.00 -0.02 -0.02 -0.04 7.38 7.30 3n9mC1 PHE 204 HZ 0.01 -0.04 -0.02 -0.04 7.32 7.23 3n9mC1 THR 205 H -0.17 0.22 0.07 -0.55 8.28 7.86 3n9mC1 THR 205 HA 0.12 0.13 0.45 -0.75 4.39 4.34 3n9mC1 THR 205 HB -0.48 0.09 0.14 -0.04 4.32 4.02 3n9mC1 THR 205 HG23 -0.15 -0.01 0.05 -0.04 1.22 1.07 3n9mC1 HIS 206 H -0.06 0.14 -0.82 -0.55 8.41 7.13 3n9mC1 HIS 206 HA 0.07 0.19 0.94 -0.75 4.63 5.08 3n9mC1 HIS 206 HB2 0.09 -0.03 0.13 -0.04 3.26 3.42 3n9mC1 HIS 206 HB3 0.04 0.05 0.03 -0.04 3.20 3.28 3n9mC1 HIS 206 HD2 -0.00 0.15 -0.25 -0.04 6.97 6.82 3n9mC1 HIS 206 HE1 -0.24 0.02 -0.01 -0.04 7.75 7.48 3n9mC1 GLU 207 H 0.15 0.19 -0.08 -0.55 8.60 8.31 3n9mC1 GLU 207 HA 0.05 0.21 0.62 -0.75 4.29 4.41 3n9mC1 GLU 207 HB2 0.10 0.07 0.00 -0.04 2.09 2.22 3n9mC1 GLU 207 HB3 -0.08 -0.00 0.04 -0.04 1.99 1.90 3n9mC1 GLU 207 HG2 0.00 -0.05 -0.09 -0.04 2.34 2.16 3n9mC1 GLU 207 HG3 0.18 0.15 -0.52 -0.04 2.34 2.11 3n9mC1 MET 226 HA -0.03 -0.06 0.14 -0.75 4.52 3.82 3n9mC1 MET 226 HB2 -0.06 -0.03 0.03 -0.04 2.15 2.06 3n9mC1 MET 226 HB3 -0.08 -0.04 -0.04 -0.04 2.03 1.83 3n9mC1 MET 226 HG2 -0.08 0.07 -0.09 -0.04 2.63 2.49 3n9mC1 MET 226 HG3 -0.12 0.21 -0.10 -0.04 2.56 2.51 3n9mC1 MET 226 HE3 -0.06 -0.01 -0.38 -0.04 2.10 1.60 3n9mC1 SER 227 H -0.04 0.31 0.15 -0.55 8.46 8.34 3n9mC1 SER 227 HA -0.11 0.11 0.55 -0.75 4.49 4.29 3n9mC1 SER 227 HB2 -0.15 -0.08 0.14 -0.04 3.95 3.82 3n9mC1 SER 227 HB3 -0.09 0.17 0.10 -0.04 3.93 4.06 3n9mC1 LYS 228 H -0.56 0.18 0.09 -0.55 8.42 7.58 3n9mC1 LYS 228 HA -2.35 0.05 0.27 -0.75 4.32 1.54 3n9mC1 LYS 228 HB2 -0.75 0.04 0.07 -0.04 1.87 1.19 3n9mC1 LYS 228 HB3 -0.43 -0.07 0.10 -0.04 1.79 1.35 3n9mC1 LYS 228 HG2 -0.47 -0.05 -0.24 -0.04 1.46 0.66 3n9mC1 LYS 228 HG3 -0.69 0.03 -0.07 -0.04 1.46 0.69 3n9mC1 LYS 228 HD2 -0.25 -0.00 -0.24 -0.04 1.69 1.16 3n9mC1 LYS 228 HD3 -0.17 0.02 -0.14 -0.04 1.68 1.35 3n9mC1 LYS 228 HE2 0.34 -0.01 -0.08 -0.04 2.99 3.19 3n9mC1 LYS 228 HE3 0.04 -0.04 -0.06 -0.04 2.99 2.90 3n9mC1 LYS 229 H -0.43 0.34 0.31 -0.55 8.42 8.10 3n9mC1 LYS 229 HA -0.13 -0.03 0.79 -0.75 4.32 4.19 3n9mC1 LYS 229 HB2 -0.11 0.07 -0.10 -0.04 1.87 1.69 3n9mC1 LYS 229 HB3 -0.02 0.15 0.11 -0.04 1.79 1.99 3n9mC1 LYS 229 HG2 0.36 -0.10 -0.15 -0.04 1.46 1.53 3n9mC1 LYS 229 HG3 0.01 -0.16 0.12 -0.04 1.46 1.39 3n9mC1 LYS 229 HD2 -0.08 0.06 0.01 -0.04 1.69 1.64 3n9mC1 LYS 229 HD3 -0.14 0.11 -0.00 -0.04 1.68 1.60 3n9mC1 LYS 229 HE2 0.13 -0.13 -0.01 -0.04 2.99 2.93 3n9mC1 LYS 229 HE3 -0.01 -0.06 -0.01 -0.04 2.99 2.86 3n9mC1 LYS 230 H -0.05 -0.08 0.18 -0.55 8.42 7.91 3n9mC1 LYS 230 HA -0.04 0.34 0.89 -0.75 4.32 4.74 3n9mC1 LYS 230 HB2 -0.10 -0.09 -0.06 -0.04 1.87 1.59 3n9mC1 LYS 230 HB3 -0.12 0.05 0.10 -0.04 1.79 1.79 3n9mC1 LYS 230 HG2 -0.05 0.37 -0.02 -0.04 1.46 1.72 3n9mC1 LYS 230 HG3 -0.11 -0.17 -0.51 -0.04 1.46 0.63 3n9mC1 LYS 230 HD2 -0.12 -0.07 -0.13 -0.04 1.69 1.32 3n9mC1 LYS 230 HD3 -0.13 0.05 -0.09 -0.04 1.68 1.46 3n9mC1 LYS 230 HE2 -0.12 -0.06 -0.12 -0.04 2.99 2.65 3n9mC1 LYS 230 HE3 -0.13 0.03 -0.08 -0.04 2.99 2.77 3n9mC1 SER 231 H -0.03 -0.03 0.12 -0.55 8.46 7.97 3n9mC1 SER 231 HA -0.01 0.34 0.36 -0.75 4.49 4.43 3n9mC1 SER 231 HB2 0.09 -0.11 -0.05 -0.04 3.95 3.84 3n9mC1 SER 231 HB3 0.02 -0.03 -0.14 -0.04 3.93 3.74 3n9mC1 HIS 232 H -0.13 0.10 -0.23 -0.55 8.41 7.60 3n9mC1 HIS 232 HA -0.07 0.04 0.27 -0.75 4.63 4.12 3n9mC1 HIS 232 HB2 -0.14 0.06 0.13 -0.04 3.26 3.27 3n9mC1 HIS 232 HB3 -0.11 -0.03 0.06 -0.04 3.20 3.06 3n9mC1 HIS 232 HD2 -0.40 0.02 -0.18 -0.04 6.97 6.37 3n9mC1 HIS 232 HE1 -0.08 0.25 -0.14 -0.04 7.75 7.75 3n9mC1 HIS 233 H -0.41 0.20 -0.84 -0.55 8.41 6.82 3n9mC1 HIS 233 HA -0.19 0.15 0.53 -0.75 4.63 4.37 3n9mC1 HIS 233 HB2 -0.61 0.09 0.11 -0.04 3.26 2.81 3n9mC1 HIS 233 HB3 -0.31 0.03 0.01 -0.04 3.20 2.89 3n9mC1 HIS 233 HD2 -0.52 0.11 0.11 -0.04 6.97 6.62 3n9mC1 HIS 233 HE1 -0.03 0.15 -0.01 -0.04 7.75 7.81 3n9mC1 HIS 234 H -0.51 0.29 0.01 -0.55 8.41 7.65 3n9mC1 HIS 234 HA 0.04 0.23 0.98 -0.75 4.63 5.14 3n9mC1 HIS 234 HB2 0.10 -0.06 0.25 -0.04 3.26 3.51 3n9mC1 HIS 234 HB3 0.05 0.08 0.12 -0.04 3.20 3.41 3n9mC1 HIS 234 HD2 0.10 -0.03 0.17 -0.04 6.97 7.17 3n9mC1 HIS 234 HE1 -0.21 -0.02 0.08 -0.04 7.75 7.55 3n9mC1 LYS 235 H 0.04 0.40 -0.63 -0.55 8.42 7.68 3n9mC1 LYS 235 HA 0.08 0.04 0.77 -0.75 4.32 4.45 3n9mC1 LYS 235 HB2 0.05 0.26 0.06 -0.04 1.87 2.20 3n9mC1 LYS 235 HB3 0.06 0.01 0.15 -0.04 1.79 1.97 3n9mC1 LYS 235 HG2 0.04 -0.06 0.08 -0.04 1.46 1.48 3n9mC1 LYS 235 HG3 0.05 -0.01 -0.03 -0.04 1.46 1.43 3n9mC1 LYS 235 HD2 0.04 0.07 0.06 -0.04 1.69 1.82 3n9mC1 LYS 235 HD3 0.04 0.03 0.05 -0.04 1.68 1.75 3n9mC1 LYS 235 HE2 0.01 -0.02 0.01 -0.04 2.99 2.95 3n9mC1 LYS 235 HE3 0.02 -0.07 -0.04 -0.04 2.99 2.86 3n9mC1 LYS 236 H 0.08 0.16 -0.37 -0.55 8.42 7.74 3n9mC1 LYS 236 HA 0.10 0.15 0.63 -0.75 4.32 4.44 3n9mC1 LYS 236 HB2 0.07 0.03 0.05 -0.04 1.87 1.99 3n9mC1 LYS 236 HB3 0.07 0.03 0.13 -0.04 1.79 1.98 3n9mC1 LYS 236 HG2 0.06 -0.01 0.03 -0.04 1.46 1.50 3n9mC1 LYS 236 HG3 0.05 0.07 0.04 -0.04 1.46 1.58 3n9mC1 LYS 236 HD2 0.05 0.06 0.06 -0.04 1.69 1.82 3n9mC1 LYS 236 HD3 0.05 -0.02 0.04 -0.04 1.68 1.71 3n9mC1 LYS 236 HE2 0.04 -0.03 0.02 -0.04 2.99 2.97 3n9mC1 LYS 236 HE3 0.04 0.03 0.03 -0.04 2.99 3.05 3n9mC1 ASN 237 H 0.05 0.12 -0.59 -0.55 8.53 7.57 3n9mC1 ASN 237 HA -0.05 0.28 0.79 -0.75 4.76 5.02 3n9mC1 ASN 237 HB2 0.03 0.23 0.10 -0.04 2.88 3.21 3n9mC1 ASN 237 HB3 -0.41 -0.04 -0.06 -0.04 2.79 2.24 3n9mC1 ASN 237 HD21 -0.05 0.04 -0.03 -0.04 7.03 6.94 3n9mC1 ASN 237 HD22 -0.22 -0.04 -0.04 -0.04 7.74 7.40 3n9mC1 ASP 238 H -0.07 0.12 -0.20 -0.55 8.40 7.70 3n9mC1 ASP 238 HA -0.33 -0.02 0.23 -0.75 4.63 3.75 3n9mC1 ASP 238 HB2 -0.39 0.22 0.08 -0.04 2.71 2.57 3n9mC1 ASP 238 HB3 -0.88 -0.07 0.03 -0.04 2.70 1.74 3n9mC1 PHE 239 H -0.00 0.16 -0.84 -0.55 8.34 7.11 3n9mC1 PHE 239 HA -0.18 0.00 0.80 -0.75 4.62 4.48 3n9mC1 PHE 239 HB2 -0.07 0.08 0.04 -0.04 3.15 3.16 3n9mC1 PHE 239 HB3 -0.30 0.01 0.08 -0.04 3.06 2.81 3n9mC1 PHE 239 HD2 -0.50 0.03 -0.07 -0.04 7.28 6.68 3n9mC1 PHE 239 HE2 -0.13 0.02 -0.04 -0.04 7.38 7.19 3n9mC1 PHE 239 HZ -0.07 0.02 -0.04 -0.04 7.32 7.19 3n9mC1 GLN 240 H 0.27 0.28 -0.12 -0.55 8.47 8.36 3n9mC1 GLN 240 HA 0.34 0.20 0.93 -0.75 4.36 5.08 3n9mC1 GLN 240 HB2 0.11 -0.07 -0.01 -0.04 2.15 2.14 3n9mC1 GLN 240 HB3 0.29 0.03 0.05 -0.04 2.02 2.34 3n9mC1 GLN 240 HG2 0.23 0.03 0.15 -0.04 2.40 2.77 3n9mC1 GLN 240 HG3 0.20 0.01 0.13 -0.04 2.39 2.69 3n9mC1 GLN 240 HE21 0.07 -0.04 0.02 -0.04 6.97 6.98 3n9mC1 GLN 240 HE22 0.11 0.00 0.05 -0.04 7.69 7.81 3n9mC1 TRP 241 H 0.03 0.30 0.19 -0.55 7.97 7.94 3n9mC1 TRP 241 HA 0.01 0.17 0.58 -0.75 4.62 4.63 3n9mC1 TRP 241 HB2 0.04 0.29 -0.16 -0.04 3.23 3.36 3n9mC1 TRP 241 HB3 0.12 -0.07 -0.14 -0.04 3.23 3.10 3n9mC1 TRP 241 HD1 0.09 0.09 -0.30 -0.04 7.22 7.05 3n9mC1 TRP 241 HE1 0.12 0.01 -0.17 -0.04 10.20 10.12 3n9mC1 TRP 241 HE3 0.18 0.03 -0.39 -0.04 7.59 7.36 3n9mC1 TRP 241 HZ2 -0.24 0.18 -0.39 -0.04 7.44 6.95 3n9mC1 TRP 241 HZ3 -0.10 0.06 -0.68 -0.04 7.13 6.37 3n9mC1 TRP 241 HH2 -0.34 -0.02 -0.37 -0.04 7.19 6.42 3n9mC1 ILE 242 H -0.10 0.58 0.27 -0.55 8.25 8.44 3n9mC1 ILE 242 HA 0.00 0.24 0.81 -0.75 4.18 4.48 3n9mC1 ILE 242 HB -1.07 0.10 -0.07 -0.04 1.89 0.81 3n9mC1 ILE 242 HG12 -0.55 -0.01 -0.06 -0.04 1.49 0.82 3n9mC1 ILE 242 HG13 -0.38 -0.03 -0.24 -0.04 1.21 0.52 3n9mC1 ILE 242 HG23 -0.86 -0.04 -0.13 -0.04 0.93 -0.14 3n9mC1 ILE 242 HD13 -0.08 -0.03 0.11 -0.04 0.88 0.84 3n9mC1 GLY 243 H -0.33 0.25 0.11 -0.55 8.43 7.92 3n9mC1 GLY 243 HA2 -0.56 0.12 0.83 -0.51 4.01 3.89 3n9mC1 GLY 243 HA3 -1.32 0.09 0.18 -0.51 4.01 2.45 3n9mC1 CYS 244 H -0.09 0.49 0.16 -0.55 8.50 8.51 3n9mC1 CYS 244 HA -0.03 0.26 0.62 -0.75 4.58 4.69 3n9mC1 CYS 244 HB2 0.12 0.06 0.14 -0.04 2.97 3.25 3n9mC1 CYS 244 HB3 0.02 -0.08 0.22 -0.04 2.97 3.08 3n9mC1 ASP 245 H -0.18 0.81 0.36 -0.55 8.40 8.84 3n9mC1 ASP 245 HA -0.09 0.14 0.41 -0.75 4.63 4.33 3n9mC1 ASP 245 HB2 -0.23 -0.03 0.14 -0.04 2.71 2.56 3n9mC1 ASP 245 HB3 -0.23 -0.01 -0.04 -0.04 2.70 2.38 3n9mC1 SER 246 H 0.05 -0.17 -0.48 -0.55 8.46 7.31 3n9mC1 SER 246 HA 0.06 0.32 0.95 -0.75 4.49 5.06 3n9mC1 SER 246 HB2 0.11 0.01 -0.03 -0.04 3.95 4.00 3n9mC1 SER 246 HB3 0.02 -0.21 0.13 -0.04 3.93 3.83 3n9mC1 CYS 247 H 0.01 -0.03 0.09 -0.55 8.50 8.03 3n9mC1 CYS 247 HA 0.01 0.23 0.54 -0.75 4.58 4.61 3n9mC1 CYS 247 HB2 0.02 0.08 0.12 -0.04 2.97 3.15 3n9mC1 CYS 247 HB3 0.03 0.03 0.06 -0.04 2.97 3.05 3n9mC1 GLN 248 H -0.05 0.06 -0.31 -0.55 8.47 7.62 3n9mC1 GLN 248 HA -0.17 0.30 0.28 -0.75 4.36 4.01 3n9mC1 GLN 248 HB2 -0.02 0.16 -0.14 -0.04 2.15 2.11 3n9mC1 GLN 248 HB3 -0.05 -0.05 0.11 -0.04 2.02 1.99 3n9mC1 GLN 248 HG2 -0.03 0.08 -0.49 -0.04 2.40 1.91 3n9mC1 GLN 248 HG3 -0.01 -0.01 -0.17 -0.04 2.39 2.16 3n9mC1 GLN 248 HE21 -0.03 -0.03 -0.04 -0.04 6.97 6.82 3n9mC1 GLN 248 HE22 -0.02 0.13 -0.19 -0.04 7.69 7.58 3n9mC1 THR 249 H -0.04 -0.10 -0.39 -0.55 8.28 7.20 3n9mC1 THR 249 HA -0.02 0.20 0.85 -0.75 4.39 4.66 3n9mC1 THR 249 HB -0.11 0.06 0.12 -0.04 4.32 4.35 3n9mC1 THR 249 HG23 -0.02 -0.00 -0.04 -0.04 1.22 1.12 3n9mC1 TRP 250 H 0.20 0.21 0.18 -0.55 7.97 8.02 3n9mC1 TRP 250 HA 0.11 0.17 0.72 -0.75 4.62 4.86 3n9mC1 TRP 250 HB2 0.03 0.00 -0.03 -0.04 3.23 3.19 3n9mC1 TRP 250 HB3 0.43 0.04 -0.22 -0.04 3.23 3.44 3n9mC1 TRP 250 HD1 -0.07 -0.01 0.02 -0.04 7.22 7.12 3n9mC1 TRP 250 HE1 -0.05 0.03 -0.02 -0.04 10.20 10.11 3n9mC1 TRP 250 HE3 0.25 -0.01 -0.40 -0.04 7.59 7.39 3n9mC1 TRP 250 HZ2 -0.03 0.04 -0.03 -0.04 7.44 7.38 3n9mC1 TRP 250 HZ3 0.07 0.17 -0.24 -0.04 7.13 7.09 3n9mC1 TRP 250 HH2 0.01 0.06 -0.03 -0.04 7.19 7.19 3n9mC1 TYR 251 H 0.38 0.84 0.32 -0.55 8.29 9.28 3n9mC1 TYR 251 HA -0.04 -0.03 0.90 -0.75 4.56 4.64 3n9mC1 TYR 251 HB2 -0.10 0.13 -0.01 -0.04 3.06 3.04 3n9mC1 TYR 251 HB3 -0.09 -0.18 -0.18 -0.04 2.98 2.49 3n9mC1 TYR 251 HD2 0.07 0.05 -0.17 -0.04 7.15 7.06 3n9mC1 TYR 251 HE2 0.03 0.07 -0.16 -0.04 6.85 6.75 3n9mC1 HIS 252 H -0.30 0.05 0.07 -0.55 8.41 7.68 3n9mC1 HIS 252 HA -1.22 0.17 0.44 -0.75 4.63 3.27 3n9mC1 HIS 252 HB2 -0.27 -0.14 0.19 -0.04 3.26 3.00 3n9mC1 HIS 252 HB3 -0.29 0.19 0.15 -0.04 3.20 3.20 3n9mC1 HIS 252 HD2 -0.95 0.04 -0.15 -0.04 6.97 5.86 3n9mC1 HIS 252 HE1 0.01 0.03 -0.08 -0.04 7.75 7.67 3n9mC1 PHE 253 H -0.07 -0.34 0.05 -0.55 8.34 7.43 3n9mC1 PHE 253 HA -0.30 0.09 0.25 -0.75 4.62 3.92 3n9mC1 PHE 253 HB2 -0.44 0.14 -0.31 -0.04 3.15 2.50 3n9mC1 PHE 253 HB3 -0.79 -0.05 -0.05 -0.04 3.06 2.13 3n9mC1 PHE 253 HD2 -0.48 -0.23 -0.00 -0.04 7.28 6.53 3n9mC1 PHE 253 HE2 -0.15 0.10 -0.12 -0.04 7.38 7.16 3n9mC1 PHE 253 HZ -0.12 0.12 -0.06 -0.04 7.32 7.22 3n9mC1 LEU 254 H -0.16 0.54 0.22 -0.55 8.37 8.42 3n9mC1 LEU 254 HA 0.08 0.24 0.69 -0.75 4.35 4.62 3n9mC1 LEU 254 HB2 -0.04 0.05 0.15 -0.04 1.64 1.76 3n9mC1 LEU 254 HB3 -0.03 0.00 0.15 -0.04 1.64 1.72 3n9mC1 LEU 254 HG -0.56 0.03 0.10 -0.04 1.64 1.17 3n9mC1 LEU 254 HD13 -0.28 -0.07 -0.06 -0.04 0.93 0.49 3n9mC1 LEU 254 HD23 -0.18 0.01 -0.00 -0.04 0.89 0.68 3n9mC1 CYS 255 H -0.02 -0.34 -0.25 -0.55 8.50 7.34 3n9mC1 CYS 255 HA 0.05 0.34 0.78 -0.75 4.58 4.99 3n9mC1 CYS 255 HB2 0.07 -0.25 0.05 -0.04 2.97 2.81 3n9mC1 CYS 255 HB3 0.13 0.00 0.02 -0.04 2.97 3.08 3n9mC1 SER 256 H -0.03 0.22 -0.34 -0.55 8.46 7.76 3n9mC1 SER 256 HA -0.37 0.13 0.38 -0.75 4.49 3.88 3n9mC1 SER 256 HB2 -0.29 0.04 0.02 -0.04 3.95 3.67 3n9mC1 SER 256 HB3 -0.21 -0.11 -0.09 -0.04 3.93 3.48 3n9mC1 GLY 257 H 0.01 0.16 -0.43 -0.55 8.43 7.62 3n9mC1 GLY 257 HA2 0.02 0.04 0.22 -0.51 4.01 3.78 3n9mC1 GLY 257 HA3 0.01 0.15 0.65 -0.51 4.01 4.31 3n9mC1 LEU 258 H 0.05 0.02 -0.43 -0.55 8.37 7.46 3n9mC1 LEU 258 HA 0.07 0.04 0.47 -0.75 4.35 4.19 3n9mC1 LEU 258 HB2 0.14 -0.01 -0.01 -0.04 1.64 1.72 3n9mC1 LEU 258 HB3 0.30 0.06 -0.24 -0.04 1.64 1.72 3n9mC1 LEU 258 HG 0.15 0.01 -0.20 -0.04 1.64 1.56 3n9mC1 LEU 258 HD13 0.30 0.00 -0.13 -0.04 0.93 1.07 3n9mC1 LEU 258 HD23 -0.25 0.00 -0.12 -0.04 0.89 0.48 3n9mC1 GLU 259 H -0.13 0.11 0.14 -0.55 8.60 8.17 3n9mC1 GLU 259 HA -0.06 0.20 0.78 -0.75 4.29 4.45 3n9mC1 GLU 259 HB2 -0.14 0.01 0.10 -0.04 2.09 2.01 3n9mC1 GLU 259 HB3 0.08 -0.05 0.09 -0.04 1.99 2.06 3n9mC1 GLU 259 HG2 0.05 0.02 0.04 -0.04 2.34 2.41 3n9mC1 GLU 259 HG3 0.04 0.14 -0.03 -0.04 2.34 2.45 3n9mC1 GLN 260 H -0.20 0.14 0.07 -0.55 8.47 7.94 3n9mC1 GLN 260 HA -1.72 0.10 0.20 -0.75 4.36 2.19 3n9mC1 GLN 260 HB2 -0.19 0.01 0.15 -0.04 2.15 2.09 3n9mC1 GLN 260 HB3 -0.05 -0.01 0.21 -0.04 2.02 2.13 3n9mC1 GLN 260 HG2 -0.06 0.06 -0.04 -0.04 2.40 2.32 3n9mC1 GLN 260 HG3 -0.29 0.07 0.06 -0.04 2.39 2.19 3n9mC1 GLN 260 HE21 0.12 0.11 -0.12 -0.04 6.97 7.04 3n9mC1 GLN 260 HE22 0.10 0.03 -0.09 -0.04 7.69 7.69 3n9mC1 PHE 261 H 0.06 0.21 -0.19 -0.55 8.34 7.86 3n9mC1 PHE 261 HA -0.66 0.08 0.24 -0.75 4.62 3.52 3n9mC1 PHE 261 HB2 0.14 0.03 0.03 -0.04 3.15 3.30 3n9mC1 PHE 261 HB3 0.05 0.10 0.00 -0.04 3.06 3.17 3n9mC1 PHE 261 HD2 -0.01 0.06 -0.08 -0.04 7.28 7.21 3n9mC1 PHE 261 HE2 -0.06 -0.02 -0.06 -0.04 7.38 7.20 3n9mC1 PHE 261 HZ -0.06 0.03 -0.07 -0.04 7.32 7.18 3n9mC1 GLU 262 H -0.78 0.45 -0.41 -0.55 8.60 7.31 3n9mC1 GLU 262 HA -0.49 0.22 0.93 -0.75 4.29 4.20 3n9mC1 GLU 262 HB2 -0.35 -0.01 0.07 -0.04 2.09 1.76 3n9mC1 GLU 262 HB3 -0.63 0.04 0.00 -0.04 1.99 1.36 3n9mC1 GLU 262 HG2 -1.22 -0.10 -0.00 -0.04 2.34 0.98 3n9mC1 GLU 262 HG3 -0.30 0.06 0.04 -0.04 2.34 2.11 3n9mC1 TYR 263 H -0.34 0.47 -0.15 -0.55 8.29 7.72 3n9mC1 TYR 263 HA 0.02 -0.00 0.27 -0.75 4.56 4.09 3n9mC1 TYR 263 HB2 -0.30 0.06 0.07 -0.04 3.06 2.85 3n9mC1 TYR 263 HB3 -0.53 0.04 -0.05 -0.04 2.98 2.40 3n9mC1 TYR 263 HD2 -0.21 -0.00 -0.11 -0.04 7.15 6.78 3n9mC1 TYR 263 HE2 -0.11 0.04 -0.28 -0.04 6.85 6.46 3n9mC1 TYR 264 H -0.01 0.10 -0.47 -0.55 8.29 7.36 3n9mC1 TYR 264 HA -0.10 0.24 0.59 -0.75 4.56 4.53 3n9mC1 TYR 264 HB2 -0.28 0.02 0.05 -0.04 3.06 2.82 3n9mC1 TYR 264 HB3 -0.17 -0.04 -0.05 -0.04 2.98 2.68 3n9mC1 TYR 264 HD2 -0.50 -0.03 -0.06 -0.04 7.15 6.53 3n9mC1 TYR 264 HE2 -0.04 -0.02 -0.02 -0.04 6.85 6.73 3n9mC1 LEU 265 H -0.44 0.41 -0.32 -0.55 8.37 7.47 3n9mC1 LEU 265 HA -0.47 0.08 0.30 -0.75 4.35 3.52 3n9mC1 LEU 265 HB2 -1.02 0.09 0.13 -0.04 1.64 0.80 3n9mC1 LEU 265 HB3 -0.58 -0.03 -0.05 -0.04 1.64 0.94 3n9mC1 LEU 265 HG -0.50 0.04 0.12 -0.04 1.64 1.26 3n9mC1 LEU 265 HD13 -0.12 -0.02 -0.04 -0.04 0.93 0.71 3n9mC1 LEU 265 HD23 -0.19 0.00 -0.05 -0.04 0.89 0.61 3n9mC1 TYR 266 H -0.19 0.21 -0.14 -0.55 8.29 7.62 3n9mC1 TYR 266 HA -0.03 0.06 0.49 -0.75 4.56 4.32 3n9mC1 TYR 266 HB2 0.02 -0.01 -0.13 -0.04 3.06 2.91 3n9mC1 TYR 266 HB3 -0.05 0.08 -0.36 -0.04 2.98 2.61 3n9mC1 TYR 266 HD2 0.06 0.03 -0.34 -0.04 7.15 6.85 3n9mC1 TYR 266 HE2 0.03 -0.00 -0.09 -0.04 6.85 6.74 3n9mC1 GLU 267 H -0.25 0.33 0.30 -0.55 8.60 8.43 3n9mC1 GLU 267 HA -0.63 0.13 0.66 -0.75 4.29 3.70 3n9mC1 GLU 267 HB2 -1.42 -0.05 0.03 -0.04 2.09 0.61 3n9mC1 GLU 267 HB3 -0.38 0.05 -0.04 -0.04 1.99 1.59 3n9mC1 GLU 267 HG2 -0.23 -0.00 -0.09 -0.04 2.34 1.98 3n9mC1 GLU 267 HG3 -0.40 0.01 0.09 -0.04 2.34 2.00 3n9mC1 LYS 268 H -0.17 0.50 0.09 -0.55 8.42 8.29 3n9mC1 LYS 268 HA -0.25 0.21 0.87 -0.75 4.32 4.40 3n9mC1 LYS 268 HB2 -0.24 -0.04 0.21 -0.04 1.87 1.75 3n9mC1 LYS 268 HB3 -0.64 -0.02 -0.00 -0.04 1.79 1.09 3n9mC1 LYS 268 HG2 -0.15 0.06 0.03 -0.04 1.46 1.35 3n9mC1 LYS 268 HG3 -0.13 -0.00 -0.16 -0.04 1.46 1.13 3n9mC1 LYS 268 HD2 -0.01 -0.02 -0.01 -0.04 1.69 1.62 3n9mC1 LYS 268 HD3 0.04 0.01 -0.03 -0.04 1.68 1.66 3n9mC1 LYS 268 HE2 -0.02 -0.01 -0.03 -0.04 2.99 2.90 3n9mC1 LYS 268 HE3 0.03 0.00 -0.01 -0.04 2.99 2.97 3n9mC1 PHE 269 H -0.15 0.30 0.01 -0.55 8.34 7.95 3n9mC1 PHE 269 HA -0.38 0.09 0.70 -0.75 4.62 4.27 3n9mC1 PHE 269 HB2 -0.11 0.10 -0.08 -0.04 3.15 3.02 3n9mC1 PHE 269 HB3 -0.21 0.19 0.06 -0.04 3.06 3.06 3n9mC1 PHE 269 HD2 -0.14 0.02 -0.34 -0.04 7.28 6.78 3n9mC1 PHE 269 HE2 -0.17 -0.02 -0.16 -0.04 7.38 6.99 3n9mC1 PHE 269 HZ -0.29 0.20 -0.04 -0.04 7.32 7.15 3n9mC1 PHE 270 H -0.65 0.23 0.16 -0.55 8.34 7.52 3n9mC1 PHE 270 HA -0.51 -0.03 0.93 -0.75 4.62 4.26 3n9mC1 PHE 270 HB2 -0.39 0.02 0.06 -0.04 3.15 2.81 3n9mC1 PHE 270 HB3 -0.36 -0.01 -0.09 -0.04 3.06 2.56 3n9mC1 PHE 270 HD2 -0.22 -0.10 -0.35 -0.04 7.28 6.58 3n9mC1 PHE 270 HE2 -0.11 0.08 -0.26 -0.04 7.38 7.05 3n9mC1 PHE 270 HZ -0.08 0.04 -0.12 -0.04 7.32 7.11 3n9mC1 CYS 271 H -0.41 0.00 0.11 -0.55 8.50 7.66 3n9mC1 CYS 271 HA -0.68 0.26 0.43 -0.75 4.58 3.84 3n9mC1 CYS 271 HB2 -0.47 0.14 0.14 -0.04 2.97 2.74 3n9mC1 CYS 271 HB3 -0.20 0.01 0.08 -0.04 2.97 2.82 3n9mC1 PRO 272 HA -0.12 0.09 0.42 -0.51 4.44 4.33 3n9mC1 PRO 272 HB2 -0.05 0.02 0.04 -0.04 2.28 2.25 3n9mC1 PRO 272 HB3 -0.04 0.06 0.09 -0.04 2.02 2.08 3n9mC1 PRO 272 HG2 -0.08 0.07 0.04 -0.04 2.03 2.02 3n9mC1 PRO 272 HG3 -0.05 0.06 0.12 -0.04 2.03 2.11 3n9mC1 PRO 272 HD2 -0.28 0.05 0.21 -0.04 3.68 3.62 3n9mC1 PRO 272 HD3 -0.14 0.29 0.28 -0.04 3.65 4.03 3n9mC1 LYS 273 H -0.05 0.06 -0.30 -0.55 8.42 7.57 3n9mC1 LYS 273 HA -0.02 0.14 0.41 -0.75 4.32 4.10 3n9mC1 LYS 273 HB2 0.05 -0.08 0.05 -0.04 1.87 1.85 3n9mC1 LYS 273 HB3 0.04 0.03 -0.03 -0.04 1.79 1.79 3n9mC1 LYS 273 HG2 0.06 0.02 0.02 -0.04 1.46 1.53 3n9mC1 LYS 273 HG3 0.03 0.04 0.05 -0.04 1.46 1.54 3n9mC1 LYS 273 HD2 0.01 0.03 -0.11 -0.04 1.69 1.57 3n9mC1 LYS 273 HD3 0.04 -0.06 -0.02 -0.04 1.68 1.61 3n9mC1 LYS 273 HE2 0.03 0.01 -0.00 -0.04 2.99 2.99 3n9mC1 LYS 273 HE3 0.04 0.01 -0.02 -0.04 2.99 2.98 3n9mC1 CYS 274 H -0.17 0.42 -0.29 -0.55 8.50 7.91 3n9mC1 CYS 274 HA -0.42 0.24 0.81 -0.75 4.58 4.45 3n9mC1 CYS 274 HB2 -0.20 -0.01 0.03 -0.04 2.97 2.75 3n9mC1 CYS 274 HB3 -0.29 0.04 0.03 -0.04 2.97 2.71 3n9mC1 VAL 275 H -0.27 0.29 -0.06 -0.55 8.24 7.64 3n9mC1 VAL 275 HA -0.41 0.16 0.36 -0.75 4.13 3.49 3n9mC1 VAL 275 HB -0.22 0.08 0.08 -0.04 2.12 2.01 3n9mC1 VAL 275 HG13 -0.43 0.00 -0.28 -0.04 0.97 0.22 3n9mC1 VAL 275 HG23 -0.21 0.06 -0.05 -0.04 0.95 0.70 3n9mC1 PRO 276 HA -0.14 0.04 0.34 -0.51 4.44 4.17 3n9mC1 PRO 276 HB2 0.05 0.05 -0.09 -0.04 2.28 2.25 3n9mC1 PRO 276 HB3 -0.02 0.01 0.05 -0.04 2.02 2.01 3n9mC1 PRO 276 HG2 -0.04 0.08 -0.02 -0.04 2.03 2.01 3n9mC1 PRO 276 HG3 -0.07 0.01 0.03 -0.04 2.03 1.95 3n9mC1 PRO 276 HD2 -0.25 0.02 -0.51 -0.04 3.68 2.90 3n9mC1 PRO 276 HD3 -0.18 0.15 0.05 -0.04 3.65 3.63 3n9mC1 HIS 277 H -0.71 0.32 -0.45 -0.55 8.41 7.02 3n9mC1 HIS 277 HA -0.12 0.21 0.97 -0.75 4.63 4.93 3n9mC1 HIS 277 HB2 -0.11 -0.02 0.06 -0.04 3.26 3.16 3n9mC1 HIS 277 HB3 -0.09 -0.01 -0.05 -0.04 3.20 3.00 3n9mC1 HIS 277 HD2 -0.14 -0.02 -0.11 -0.04 6.97 6.66 3n9mC1 HIS 277 HE1 -0.07 0.19 0.13 -0.04 7.75 7.95 3n9mC1 THR 278 H -0.55 0.29 0.14 -0.55 8.28 7.61 3n9mC1 THR 278 HA -0.35 0.14 0.72 -0.75 4.39 4.15 3n9mC1 THR 278 HB -0.60 -0.06 -0.02 -0.04 4.32 3.60 3n9mC1 THR 278 HG23 -0.74 0.02 -0.33 -0.04 1.22 0.13 3n9mC1 GLY 279 H -0.37 0.50 0.10 -0.55 8.43 8.12 3n9mC1 GLY 279 HA2 -0.25 0.02 0.26 -0.51 4.01 3.53 3n9mC1 GLY 279 HA3 -0.17 0.16 0.77 -0.51 4.01 4.26 3n9mC1 HIS 280 H 0.04 0.14 0.11 -0.55 8.41 8.16 3n9mC1 HIS 280 HA -0.06 0.08 0.74 -0.75 4.63 4.64 3n9mC1 HIS 280 HB2 -0.02 0.02 0.09 -0.04 3.26 3.32 3n9mC1 HIS 280 HB3 -0.06 0.03 0.03 -0.04 3.20 3.16 3n9mC1 HIS 280 HD2 -0.03 0.01 -0.00 -0.04 6.97 6.90 3n9mC1 HIS 280 HE1 -0.03 -0.01 -0.05 -0.04 7.75 7.62 3n9mC1 SER 281 H -0.10 0.06 0.15 -0.55 8.46 8.02 3n9mC1 SER 281 HA -0.21 0.07 0.36 -0.75 4.49 3.96 3n9mC1 SER 281 HB2 -1.36 -0.03 0.03 -0.04 3.95 2.55 3n9mC1 SER 281 HB3 -0.57 0.14 0.07 -0.04 3.93 3.53 3n9mC1 ILE 282 H -0.22 0.33 0.27 -0.55 8.25 8.09 3n9mC1 ILE 282 HA 0.07 0.17 0.82 -0.75 4.18 4.48 3n9mC1 ILE 282 HB -0.05 -0.08 0.20 -0.04 1.89 1.91 3n9mC1 ILE 282 HG12 0.07 -0.02 0.02 -0.04 1.49 1.52 3n9mC1 ILE 282 HG13 0.08 0.04 0.02 -0.04 1.21 1.30 3n9mC1 ILE 282 HG23 0.02 -0.01 -0.13 -0.04 0.93 0.77 3n9mC1 ILE 282 HD13 0.23 0.03 -0.08 -0.04 0.88 1.02 3n9mC1 ARG 283 H 0.18 0.17 0.15 -0.55 8.46 8.40 3n9mC1 ARG 283 HA 0.22 0.00 0.65 -0.75 4.34 4.46 3n9mC1 ARG 283 HB2 0.31 0.15 0.04 -0.04 1.90 2.36 3n9mC1 ARG 283 HB3 0.24 -0.07 -0.08 -0.04 1.80 1.85 3n9mC1 ARG 283 HG2 0.21 -0.06 0.14 -0.04 1.67 1.93 3n9mC1 ARG 283 HG3 0.17 0.05 0.00 -0.04 1.67 1.85 3n9mC1 ARG 283 HD2 0.25 -0.04 -0.04 -0.04 3.22 3.35 3n9mC1 ARG 283 HD3 0.15 -0.00 -0.00 -0.04 3.22 3.32 3n9mC1 TYR 284 H 0.37 0.50 0.29 -0.55 8.29 8.90 3n9mC1 TYR 284 HA 0.12 -0.03 0.46 -0.75 4.56 4.36 3n9mC1 TYR 284 HB2 0.08 -0.01 0.08 -0.04 3.06 3.17 3n9mC1 TYR 284 HB3 0.13 0.11 0.07 -0.04 2.98 3.26 3n9mC1 TYR 284 HD2 -0.06 0.17 -0.01 -0.04 7.15 7.21 3n9mC1 TYR 284 HE2 -0.10 0.04 -0.25 -0.04 6.85 6.51 3n9mC1 LYS 285 H 0.24 0.06 0.19 -0.55 8.42 8.36 3n9mC1 LYS 285 HA 0.20 0.06 0.54 -0.75 4.32 4.37 3n9mC1 LYS 285 HB2 0.18 -0.01 0.10 -0.04 1.87 2.09 3n9mC1 LYS 285 HB3 0.14 0.04 -0.02 -0.04 1.79 1.91 3n9mC1 LYS 285 HG2 0.10 0.02 0.04 -0.04 1.46 1.58 3n9mC1 LYS 285 HG3 0.12 0.00 0.10 -0.04 1.46 1.63 3n9mC1 LYS 285 HD2 0.11 -0.01 0.06 -0.04 1.69 1.81 3n9mC1 LYS 285 HD3 0.09 0.01 0.02 -0.04 1.68 1.76 3n9mC1 LYS 285 HE2 0.06 0.00 0.02 -0.04 2.99 3.02 3n9mC1 LYS 285 HE3 0.06 0.01 0.02 -0.04 2.99 3.04 3n9mC1 VAL 286 H 0.19 0.12 0.10 -0.55 8.24 8.10 3n9mC1 VAL 286 HA 0.60 0.15 0.49 -0.75 4.13 4.61 3n9mC1 VAL 286 HB 0.07 -0.03 0.19 -0.04 2.12 2.32 3n9mC1 VAL 286 HG13 0.05 -0.01 -0.11 -0.04 0.97 0.87 3n9mC1 VAL 286 HG23 -0.13 0.01 0.01 -0.04 0.95 0.80 3n9mC1 VAL 287 H 0.28 0.48 0.27 -0.55 8.24 8.72 3n9mC1 VAL 287 HA 0.12 0.02 0.32 -0.75 4.13 3.84 3n9mC1 VAL 287 HB 0.09 0.04 -0.22 -0.04 2.12 1.98 3n9mC1 VAL 287 HG13 0.07 -0.04 -0.16 -0.04 0.97 0.80 3n9mC1 VAL 287 HG23 0.14 0.05 -0.02 -0.04 0.95 1.08 3n9mC1 ALA 288 H 0.11 0.47 -0.09 -0.55 8.40 8.34 3n9mC1 ALA 288 HA 0.05 0.26 0.91 -0.75 4.34 4.81 3n9mC1 ALA 288 HB3 -0.29 0.01 -0.11 -0.04 1.41 0.97 3n9mC1 PRO 289 HA -0.00 0.10 0.41 -0.51 4.44 4.44 3n9mC1 PRO 289 HB2 0.03 -0.04 -0.03 -0.04 2.28 2.19 3n9mC1 PRO 289 HB3 -0.06 0.04 0.10 -0.04 2.02 2.06 3n9mC1 PRO 289 HG2 0.05 0.05 0.03 -0.04 2.03 2.12 3n9mC1 PRO 289 HG3 0.04 0.13 -0.02 -0.04 2.03 2.14 3n9mC1 PRO 289 HD2 0.21 0.09 0.13 -0.04 3.68 4.07 3n9mC1 PRO 289 HD3 0.10 0.40 -0.29 -0.04 3.65 3.83 3n9mC1 HIS 290 H -0.03 0.16 -0.57 -0.55 8.41 7.43 3n9mC1 HIS 290 HA 0.00 -0.05 0.62 -0.75 4.63 4.45 3n9mC1 HIS 290 HB2 0.00 -0.09 0.13 -0.04 3.26 3.26 3n9mC1 HIS 290 HB3 -0.00 -0.02 -0.01 -0.04 3.20 3.13 3n9mC1 HIS 290 HD2 -0.06 0.03 -0.61 -0.04 6.97 6.29 3n9mC1 HIS 290 HE1 -0.00 0.16 0.07 -0.04 7.75 7.93 3n9mC1 ARG 291 H -0.19 0.50 -0.35 -0.55 8.46 7.87 3n9mC1 ARG 291 HA -0.33 0.15 0.94 -0.75 4.34 4.36 3n9mC1 ARG 291 HB2 -0.28 0.11 -0.23 -0.04 1.90 1.46 3n9mC1 ARG 291 HB3 -0.27 -0.12 -0.03 -0.04 1.80 1.34 3n9mC1 ARG 291 HG2 -1.06 -0.15 -0.48 -0.04 1.67 -0.06 3n9mC1 ARG 291 HG3 -0.39 0.07 -0.20 -0.04 1.67 1.11 3n9mC1 ARG 291 HD2 -0.22 0.13 -0.05 -0.04 3.22 3.04 3n9mC1 ARG 291 HD3 -0.11 0.12 -0.31 -0.04 3.22 2.88 3n9mC1 TYR 292 H -0.44 0.15 0.12 -0.55 8.29 7.57 3n9mC1 TYR 292 HA 0.09 0.32 0.49 -0.75 4.56 4.71 3n9mC1 TYR 292 HB2 -0.07 -0.07 0.08 -0.04 3.06 2.96 3n9mC1 TYR 292 HB3 -0.01 0.17 0.02 -0.04 2.98 3.11 3n9mC1 TYR 292 HD2 -0.01 0.14 -0.01 -0.04 7.15 7.23 3n9mC1 TYR 292 HE2 -0.06 -0.08 0.01 -0.04 6.85 6.68 3n9mC1 ARG 293 H -0.15 0.07 -0.24 -0.55 8.46 7.58 3n9mC1 ARG 293 HA -0.76 0.18 0.78 -0.75 4.34 3.78 3n9mC1 ARG 293 HB2 -0.39 0.00 0.18 -0.04 1.90 1.65 3n9mC1 ARG 293 HB3 -0.97 -0.05 0.15 -0.04 1.80 0.89 3n9mC1 ARG 293 HG2 -0.19 0.08 -0.04 -0.04 1.67 1.49 3n9mC1 ARG 293 HG3 -0.13 -0.04 -0.03 -0.04 1.67 1.44 3n9mC1 ARG 293 HD2 -0.07 0.05 0.00 -0.04 3.22 3.17 3n9mC1 ARG 293 HD3 -0.14 -0.03 0.03 -0.04 3.22 3.03 3n9mC1 TRP 294 H -0.34 0.41 -0.25 -0.55 7.97 7.24 3n9mC1 TRP 294 HA -0.17 0.28 0.26 -0.75 4.62 4.24 3n9mC1 TRP 294 HB2 0.01 -0.12 -0.05 -0.04 3.23 3.03 3n9mC1 TRP 294 HB3 -0.02 0.17 0.05 -0.04 3.23 3.39 3n9mC1 TRP 294 HD1 0.17 0.19 -0.03 -0.04 7.22 7.51 3n9mC1 TRP 294 HE1 0.49 -0.05 -0.02 -0.04 10.20 10.58 3n9mC1 TRP 294 HE3 0.14 -0.09 -0.43 -0.04 7.59 7.17 3n9mC1 TRP 294 HZ2 -0.05 -0.04 -0.07 -0.04 7.44 7.24 3n9mC1 TRP 294 HZ3 0.20 0.22 -0.32 -0.04 7.13 7.19 3n9mC1 TRP 294 HH2 0.04 0.02 -0.01 -0.04 7.19 7.20 3n9mC1 TYR 295 H -1.37 -0.02 -0.72 -0.55 8.29 5.62 3n9mC1 TYR 295 HA -0.00 0.26 0.75 -0.75 4.56 4.82 3n9mC1 TYR 295 HB2 -0.64 -0.00 0.01 -0.04 3.06 2.39 3n9mC1 TYR 295 HB3 -1.07 0.04 -0.04 -0.04 2.98 1.86 3n9mC1 TYR 295 HD2 -1.13 0.00 -0.14 -0.04 7.15 5.84 3n9mC1 TYR 295 HE2 -0.32 0.02 0.01 -0.04 6.85 6.51 3n9mC1 SER 296 H -0.68 0.25 -0.07 -0.55 8.46 7.42 3n9mC1 SER 296 HA 0.02 0.16 0.50 -0.75 4.49 4.41 3n9mC1 SER 296 HB2 -0.14 0.03 0.09 -0.04 3.95 3.89 3n9mC1 SER 296 HB3 -0.29 0.09 0.17 -0.04 3.93 3.86 3n9mC1 PRO 297 HA 0.04 0.13 0.46 -0.51 4.44 4.57 3n9mC1 PRO 297 HB2 0.05 0.02 0.00 -0.04 2.28 2.31 3n9mC1 PRO 297 HB3 0.06 0.06 0.12 -0.04 2.02 2.22 3n9mC1 PRO 297 HG2 0.08 0.03 0.12 -0.04 2.03 2.21 3n9mC1 PRO 297 HG3 0.09 0.13 0.13 -0.04 2.03 2.34 3n9mC1 PRO 297 HD2 0.05 0.03 0.25 -0.04 3.68 3.97 3n9mC1 PRO 297 HD3 0.07 0.36 0.42 -0.04 3.65 4.47 3n9mC1 ASN 298 H 0.02 0.15 -0.17 -0.55 8.53 7.97 3n9mC1 ASN 298 HA 0.08 0.13 0.47 -0.75 4.76 4.70 3n9mC1 ASN 298 HB2 0.02 0.01 -0.00 -0.04 2.88 2.86 3n9mC1 ASN 298 HB3 0.05 0.03 0.13 -0.04 2.79 2.96 3n9mC1 ASN 298 HD21 0.03 0.02 0.01 -0.04 7.03 7.06 3n9mC1 ASN 298 HD22 0.04 0.01 0.03 -0.04 7.74 7.78 3n9mC1 GLU 299 H -0.02 0.28 -0.63 -0.55 8.60 7.67 3n9mC1 GLU 299 HA -0.14 0.17 0.85 -0.75 4.29 4.41 3n9mC1 GLU 299 HB2 -0.17 0.19 -0.02 -0.04 2.09 2.04 3n9mC1 GLU 299 HB3 -0.17 -0.03 0.10 -0.04 1.99 1.84 3n9mC1 GLU 299 HG2 -0.09 0.06 -0.22 -0.04 2.34 2.06 3n9mC1 GLU 299 HG3 -0.11 -0.07 -0.13 -0.04 2.34 1.99 3n9mC1 LYS 300 H 0.06 0.36 -0.24 -0.55 8.42 8.04 3n9mC1 LYS 300 HA 0.07 0.04 0.23 -0.75 4.32 3.91 3n9mC1 LYS 300 HB2 0.08 -0.03 0.13 -0.04 1.87 2.01 3n9mC1 LYS 300 HB3 0.13 0.03 0.08 -0.04 1.79 1.98 3n9mC1 LYS 300 HG2 0.12 -0.02 -0.07 -0.04 1.46 1.46 3n9mC1 LYS 300 HG3 0.13 0.09 0.07 -0.04 1.46 1.71 3n9mC1 LYS 300 HD2 0.08 -0.03 0.03 -0.04 1.69 1.73 3n9mC1 LYS 300 HD3 0.08 -0.03 0.01 -0.04 1.68 1.69 3n9mC1 LYS 300 HE2 0.07 -0.04 0.02 -0.04 2.99 2.99 3n9mC1 LYS 300 HE3 0.08 0.12 0.07 -0.04 2.99 3.22 3n9mC1 HIS 301 H 0.13 -0.01 -0.58 -0.55 8.41 7.40 3n9mC1 HIS 301 HA 0.05 0.19 0.68 -0.75 4.63 4.79 3n9mC1 HIS 301 HB2 0.02 -0.01 0.04 -0.04 3.26 3.27 3n9mC1 HIS 301 HB3 0.03 -0.03 -0.05 -0.04 3.20 3.11 3n9mC1 HIS 301 HD2 0.01 -0.03 -0.16 -0.04 6.97 6.75 3n9mC1 HIS 301 HE1 0.01 0.13 0.04 -0.04 7.75 7.89 3n9mC1 LEU 302 H -0.31 0.18 -0.23 -0.55 8.37 7.47 3n9mC1 LEU 302 HA -0.20 0.01 0.38 -0.75 4.35 3.79 3n9mC1 LEU 302 HB2 -0.15 0.14 0.06 -0.04 1.64 1.65 3n9mC1 LEU 302 HB3 -0.13 -0.10 0.14 -0.04 1.64 1.50 3n9mC1 LEU 302 HG -0.53 -0.07 0.11 -0.04 1.64 1.11 3n9mC1 LEU 302 HD13 -0.14 -0.00 0.06 -0.04 0.93 0.81 3n9mC1 LEU 302 HD23 -0.34 -0.00 -0.02 -0.04 0.89 0.49 3n9mC1 GLY 303 H -0.04 0.01 0.11 -0.55 8.43 7.97 3n9mC1 GLY 303 HA2 0.00 0.09 0.32 -0.51 4.01 3.91 3n9mC1 GLY 303 HA3 0.01 -0.03 0.28 -0.51 4.01 3.76 3n9mC1 ILE 304 H 0.04 0.08 0.13 -0.55 8.25 7.95 3n9mC1 ILE 304 HA 0.19 0.16 0.53 -0.75 4.18 4.31 3n9mC1 ILE 304 HB 0.12 -0.02 0.16 -0.04 1.89 2.11 3n9mC1 ILE 304 HG12 -0.01 -0.02 0.01 -0.04 1.49 1.44 3n9mC1 ILE 304 HG13 -0.08 0.01 0.07 -0.04 1.21 1.17 3n9mC1 ILE 304 HG23 0.26 -0.01 -0.19 -0.04 0.93 0.95 3n9mC1 ILE 304 HD13 -0.03 -0.00 -0.04 -0.04 0.88 0.77 3n9mC1 GLU 305 H -0.04 0.63 0.39 -0.55 8.60 9.03 3n9mC1 GLU 305 HA -0.14 0.24 0.65 -0.75 4.29 4.28 3n9mC1 GLU 305 HB2 -0.66 -0.05 0.20 -0.04 2.09 1.53 3n9mC1 GLU 305 HB3 -0.93 -0.04 0.12 -0.04 1.99 1.10 3n9mC1 GLU 305 HG2 -0.28 -0.03 -0.07 -0.04 2.34 1.92 3n9mC1 GLU 305 HG3 -0.27 0.25 0.07 -0.04 2.34 2.35 3n9mC1 VAL 306 H -0.19 0.77 0.32 -0.55 8.24 8.59 3n9mC1 VAL 306 HA -1.89 0.04 0.08 -0.75 4.13 1.60 3n9mC1 VAL 306 HB -0.17 0.04 0.01 -0.04 2.12 1.96 3n9mC1 VAL 306 HG13 -0.63 -0.02 -0.18 -0.04 0.97 0.10 3n9mC1 VAL 306 HG23 -0.06 0.04 -0.49 -0.04 0.95 0.40 3n9mC1 GLY 307 H 0.19 0.03 -0.31 -0.55 8.43 7.79 3n9mC1 GLY 307 HA2 -0.08 0.13 0.65 -0.51 4.01 4.20 3n9mC1 GLY 307 HA3 0.15 0.02 0.26 -0.51 4.01 3.93 3n9mC1 SER 308 H 0.11 0.29 -0.17 -0.55 8.46 8.14 3n9mC1 SER 308 HA 0.23 0.15 0.19 -0.75 4.49 4.30 3n9mC1 SER 308 HB2 0.04 0.23 0.17 -0.04 3.95 4.35 3n9mC1 SER 308 HB3 0.01 -0.02 -0.21 -0.04 3.93 3.67 3n9mC1 LYS 309 H -0.22 0.29 0.26 -0.55 8.42 8.19 3n9mC1 LYS 309 HA -0.17 0.13 0.53 -0.75 4.32 4.06 3n9mC1 LYS 309 HB2 -1.71 0.02 0.20 -0.04 1.87 0.34 3n9mC1 LYS 309 HB3 -0.43 0.03 0.24 -0.04 1.79 1.59 3n9mC1 LYS 309 HG2 -0.18 -0.05 -0.22 -0.04 1.46 0.97 3n9mC1 LYS 309 HG3 -0.32 0.04 0.06 -0.04 1.46 1.21 3n9mC1 LYS 309 HD2 -0.42 0.07 0.07 -0.04 1.69 1.37 3n9mC1 LYS 309 HD3 -0.23 -0.04 0.02 -0.04 1.68 1.39 3n9mC1 LYS 309 HE2 -0.08 -0.00 0.02 -0.04 2.99 2.89 3n9mC1 LYS 309 HE3 -0.07 -0.04 -0.02 -0.04 2.99 2.81 3n9mC1 THR 310 H -0.02 0.37 -0.11 -0.55 8.28 7.97 3n9mC1 THR 310 HA -0.01 0.07 0.32 -0.75 4.39 4.02 3n9mC1 THR 310 HB 0.12 -0.04 -0.04 -0.04 4.32 4.33 3n9mC1 THR 310 HG23 0.01 0.02 -0.13 -0.04 1.22 1.08 3n9mC1 TRP 311 H 0.25 0.10 -0.38 -0.55 7.97 7.40 3n9mC1 TRP 311 HA -0.04 -0.00 0.25 -0.75 4.62 4.07 3n9mC1 TRP 311 HB2 -0.03 0.01 -0.12 -0.04 3.23 3.05 3n9mC1 TRP 311 HB3 -0.05 0.18 -0.21 -0.04 3.23 3.11 3n9mC1 TRP 311 HD1 -0.02 0.04 -0.25 -0.04 7.22 6.95 3n9mC1 TRP 311 HE1 0.00 -0.04 -0.08 -0.04 10.20 10.04 3n9mC1 TRP 311 HE3 -0.32 0.08 -0.53 -0.04 7.59 6.78 3n9mC1 TRP 311 HZ2 -0.69 -0.14 -0.04 -0.04 7.44 6.53 3n9mC1 TRP 311 HZ3 -1.44 -0.02 -0.10 -0.04 7.13 5.52 3n9mC1 TRP 311 HH2 -2.32 -0.07 -0.07 -0.04 7.19 4.69 3n9mC1 ILE 312 H 0.27 0.44 -0.39 -0.55 8.25 8.02 3n9mC1 ILE 312 HA 0.19 0.01 0.38 -0.75 4.18 4.00 3n9mC1 ILE 312 HB 0.22 0.06 0.14 -0.04 1.89 2.27 3n9mC1 ILE 312 HG12 0.30 -0.12 -0.08 -0.04 1.49 1.55 3n9mC1 ILE 312 HG13 0.39 0.15 -0.13 -0.04 1.21 1.57 3n9mC1 ILE 312 HG23 0.21 0.06 -0.16 -0.04 0.93 0.99 3n9mC1 ILE 312 HD13 0.33 0.00 -0.04 -0.04 0.88 1.13 3n9mC1 GLU 313 H 0.03 0.64 -0.03 -0.55 8.60 8.69 3n9mC1 GLU 313 HA 0.00 0.03 0.40 -0.75 4.29 3.97 3n9mC1 GLU 313 HB2 -0.02 0.08 0.13 -0.04 2.09 2.23 3n9mC1 GLU 313 HB3 -0.03 -0.05 -0.01 -0.04 1.99 1.86 3n9mC1 GLU 313 HG2 0.01 -0.02 0.04 -0.04 2.34 2.32 3n9mC1 GLU 313 HG3 0.03 0.05 0.05 -0.04 2.34 2.43 3n9mC1 ASP 314 H -0.12 0.48 -0.28 -0.55 8.40 7.93 3n9mC1 ASP 314 HA -0.14 0.04 0.52 -0.75 4.63 4.29 3n9mC1 ASP 314 HB2 -0.15 0.03 0.06 -0.04 2.71 2.61 3n9mC1 ASP 314 HB3 -0.34 0.12 0.08 -0.04 2.70 2.52 3n9mC1 PHE 315 H -0.37 0.59 -0.13 -0.55 8.34 7.88 3n9mC1 PHE 315 HA -0.65 -0.05 0.30 -0.75 4.62 3.46 3n9mC1 PHE 315 HB2 -1.84 0.14 0.12 -0.04 3.15 1.53 3n9mC1 PHE 315 HB3 -0.57 0.13 0.14 -0.04 3.06 2.72 3n9mC1 PHE 315 HD2 -0.69 0.04 -0.10 -0.04 7.28 6.49 3n9mC1 PHE 315 HE2 -1.01 -0.01 -0.10 -0.04 7.38 6.21 3n9mC1 PHE 315 HZ -1.19 0.01 -0.09 -0.04 7.32 6.01 3n9mC1 ILE 316 H -0.10 0.58 -0.34 -0.55 8.25 7.84 3n9mC1 ILE 316 HA -0.16 -0.03 0.36 -0.75 4.18 3.60 3n9mC1 ILE 316 HB -0.05 0.17 0.04 -0.04 1.89 2.01 3n9mC1 ILE 316 HG12 0.08 -0.10 -0.03 -0.04 1.49 1.40 3n9mC1 ILE 316 HG13 0.06 0.39 0.04 -0.04 1.21 1.67 3n9mC1 ILE 316 HG23 -0.02 -0.03 -0.05 -0.04 0.93 0.79 3n9mC1 ILE 316 HD13 0.06 -0.02 -0.05 -0.04 0.88 0.82 3n9mC1 THR 317 H -0.20 0.55 -0.47 -0.55 8.28 7.61 3n9mC1 THR 317 HA -0.12 0.09 0.54 -0.75 4.39 4.15 3n9mC1 THR 317 HB -0.10 -0.08 0.12 -0.04 4.32 4.22 3n9mC1 THR 317 HG23 -0.09 0.04 0.04 -0.04 1.22 1.17 3n9mC1 ARG 318 H -0.37 0.33 -0.23 -0.55 8.46 7.64 3n9mC1 ARG 318 HA -0.17 0.20 0.92 -0.75 4.34 4.53 3n9mC1 ARG 318 HB2 -0.18 -0.04 0.03 -0.04 1.90 1.68 3n9mC1 ARG 318 HB3 -0.21 0.02 -0.18 -0.04 1.80 1.39 3n9mC1 ARG 318 HG2 -0.44 0.05 -0.04 -0.04 1.67 1.20 3n9mC1 ARG 318 HG3 -0.48 0.01 -0.36 -0.04 1.67 0.80 3n9mC1 ARG 318 HD2 -0.16 -0.02 -0.10 -0.04 3.22 2.91 3n9mC1 ARG 318 HD3 -0.20 -0.00 -0.10 -0.04 3.22 2.87 3n9mC1 GLU 319 H -0.61 0.51 0.10 -0.55 8.60 8.06 3n9mC1 GLU 319 HA -0.76 0.00 0.25 -0.75 4.29 3.03 3n9mC1 GLU 319 HB2 -0.25 -0.04 -0.04 -0.04 2.09 1.72 3n9mC1 GLU 319 HB3 -1.63 0.10 0.04 -0.04 1.99 0.46 3n9mC1 GLU 319 HG2 -0.17 -0.01 -0.03 -0.04 2.34 2.09 3n9mC1 GLU 319 HG3 -0.27 0.02 0.02 -0.04 2.34 2.07 3n9mC1 ASN 320 H -0.14 0.13 -0.48 -0.55 8.53 7.49 3n9mC1 ASN 320 HA 0.03 0.08 0.23 -0.75 4.76 4.35 3n9mC1 ASN 320 HB2 -0.01 -0.00 0.07 -0.04 2.88 2.90 3n9mC1 ASN 320 HB3 -0.02 -0.02 -0.00 -0.04 2.79 2.70 3n9mC1 ASN 320 HD21 -0.05 0.03 -0.08 -0.04 7.03 6.89 3n9mC1 ASN 320 HD22 -0.03 -0.04 -0.05 -0.04 7.74 7.58 3n9mC1 THR 321 H -0.07 0.55 -0.55 -0.55 8.28 7.66 3n9mC1 THR 321 HA 0.01 0.10 0.69 -0.75 4.39 4.43 3n9mC1 THR 321 HB 0.00 -0.08 0.12 -0.04 4.32 4.32 3n9mC1 THR 321 HG23 -0.04 -0.02 -0.04 -0.04 1.22 1.08 3n9mC1 VAL 322 H 0.08 0.42 -0.16 -0.55 8.24 8.04 3n9mC1 VAL 322 HA 0.17 0.07 0.63 -0.75 4.13 4.25 3n9mC1 VAL 322 HB 0.34 -0.00 0.03 -0.04 2.12 2.45 3n9mC1 VAL 322 HG13 0.42 -0.00 -0.22 -0.04 0.97 1.12 3n9mC1 VAL 322 HG23 0.31 -0.02 -0.02 -0.04 0.95 1.18 3n9mC1 PRO 323 HA 0.08 -0.01 0.26 -0.51 4.44 4.26 3n9mC1 PRO 323 HB2 0.10 0.07 -0.01 -0.04 2.28 2.40 3n9mC1 PRO 323 HB3 0.07 -0.04 0.12 -0.04 2.02 2.12 3n9mC1 PRO 323 HG2 0.09 0.06 0.08 -0.04 2.03 2.21 3n9mC1 PRO 323 HG3 0.08 0.01 0.12 -0.04 2.03 2.19 3n9mC1 PRO 323 HD2 0.17 0.30 0.22 -0.04 3.68 4.33 3n9mC1 PRO 323 HD3 0.14 0.11 0.30 -0.04 3.65 4.16 3n9mC1 SER 324 H 0.06 0.03 0.18 -0.55 8.46 8.19 3n9mC1 SER 324 HA 0.07 0.24 0.80 -0.75 4.49 4.85 3n9mC1 SER 324 HB2 0.04 -0.09 0.15 -0.04 3.95 4.02 3n9mC1 SER 324 HB3 0.04 0.09 0.10 -0.04 3.93 4.12 3n9mC1 PRO 325 HA 0.09 0.11 0.53 -0.51 4.44 4.66 3n9mC1 PRO 325 HB2 0.04 0.04 -0.05 -0.04 2.28 2.27 3n9mC1 PRO 325 HB3 0.10 -0.01 0.04 -0.04 2.02 2.11 3n9mC1 PRO 325 HG2 0.02 -0.01 -0.04 -0.04 2.03 1.96 3n9mC1 PRO 325 HG3 0.08 0.04 -0.13 -0.04 2.03 1.98 3n9mC1 PRO 325 HD2 0.03 0.03 0.21 -0.04 3.68 3.91 3n9mC1 PRO 325 HD3 0.06 0.42 0.35 -0.04 3.65 4.43 3n9mC1 THR 326 H 0.08 0.10 0.19 -0.55 8.28 8.11 3n9mC1 THR 326 HA 0.04 0.20 0.71 -0.75 4.39 4.58 3n9mC1 THR 326 HB 0.04 -0.02 0.17 -0.04 4.32 4.48 3n9mC1 THR 326 HG23 0.05 0.05 0.07 -0.04 1.22 1.35 3n9mC1 ASP 327 H 0.03 0.17 0.18 -0.55 8.40 8.23 3n9mC1 ASP 327 HA 0.00 0.32 0.42 -0.75 4.63 4.62 3n9mC1 ASP 327 HB2 0.02 -0.04 0.13 -0.04 2.71 2.77 3n9mC1 ASP 327 HB3 0.01 0.03 0.11 -0.04 2.70 2.81 3n9mC1 ASP 328 H 0.04 -0.04 -0.47 -0.55 8.40 7.39 3n9mC1 ASP 328 HA 0.04 0.18 0.63 -0.75 4.63 4.73 3n9mC1 ASP 328 HB2 0.06 -0.06 0.00 -0.04 2.71 2.67 3n9mC1 ASP 328 HB3 0.07 0.05 0.00 -0.04 2.70 2.78 3n9mC1 GLU 329 H 0.08 0.38 -0.21 -0.55 8.60 8.30 3n9mC1 GLU 329 HA 0.36 0.14 0.75 -0.75 4.29 4.79 3n9mC1 GLU 329 HB2 0.15 0.07 0.16 -0.04 2.09 2.43 3n9mC1 GLU 329 HB3 0.39 0.00 0.02 -0.04 1.99 2.37 3n9mC1 GLU 329 HG2 0.31 0.02 0.00 -0.04 2.34 2.64 3n9mC1 GLU 329 HG3 0.16 -0.12 -0.05 -0.04 2.34 2.29 3n9mC1 VAL 330 H -0.01 0.39 0.05 -0.55 8.24 8.12 3n9mC1 VAL 330 HA -0.22 0.36 0.81 -0.75 4.13 4.32 3n9mC1 VAL 330 HB -0.22 0.02 -0.04 -0.04 2.12 1.84 3n9mC1 VAL 330 HG13 -0.05 -0.02 -0.20 -0.04 0.97 0.66 3n9mC1 VAL 330 HG23 -0.09 -0.02 -0.34 -0.04 0.95 0.46 3n9mC1 CYS 331 H -0.37 0.61 0.26 -0.55 8.50 8.45 3n9mC1 CYS 331 HA -0.07 0.14 0.92 -0.75 4.58 4.81 3n9mC1 CYS 331 HB2 -0.28 0.09 -0.04 -0.04 2.97 2.69 3n9mC1 CYS 331 HB3 -0.80 -0.03 0.07 -0.04 2.97 2.17 3n9mC1 ILE 332 H 0.01 0.21 0.16 -0.55 8.25 8.08 3n9mC1 ILE 332 HA 0.05 0.25 1.09 -0.75 4.18 4.81 3n9mC1 ILE 332 HB 0.02 -0.03 0.14 -0.04 1.89 1.98 3n9mC1 ILE 332 HG12 -0.01 0.01 -0.14 -0.04 1.49 1.32 3n9mC1 ILE 332 HG13 -0.01 0.02 -0.13 -0.04 1.21 1.05 3n9mC1 ILE 332 HG23 0.02 -0.00 -0.09 -0.04 0.93 0.82 3n9mC1 ILE 332 HD13 0.00 0.01 -0.01 -0.04 0.88 0.84 3n9mC1 VAL 333 H 0.09 0.68 0.37 -0.55 8.24 8.83 3n9mC1 VAL 333 HA 0.08 0.23 0.98 -0.75 4.13 4.66 3n9mC1 VAL 333 HB 0.10 -0.22 0.05 -0.04 2.12 2.01 3n9mC1 VAL 333 HG13 0.18 0.05 -0.33 -0.04 0.97 0.83 3n9mC1 VAL 333 HG23 0.16 0.01 -0.13 -0.04 0.95 0.94 3n9mC1 GLU 334 H 0.06 0.13 0.20 -0.55 8.60 8.45 3n9mC1 GLU 334 HA 0.04 0.14 0.54 -0.75 4.29 4.26 3n9mC1 GLU 334 HB2 0.05 -0.06 0.16 -0.04 2.09 2.19 3n9mC1 GLU 334 HB3 0.04 0.05 0.08 -0.04 1.99 2.12 3n9mC1 GLU 334 HG2 0.04 -0.02 0.09 -0.04 2.34 2.41 3n9mC1 GLU 334 HG3 0.03 0.03 0.06 -0.04 2.34 2.43 3n9mC1 ASP 335 H 0.07 0.04 0.12 -0.55 8.40 8.08 3n9mC1 ASP 335 HA 0.02 0.39 0.65 -0.75 4.63 4.94 3n9mC1 ASP 335 HB2 0.04 0.34 0.33 -0.04 2.71 3.38 3n9mC1 ASP 335 HB3 0.06 0.12 -0.03 -0.04 2.70 2.82 3n9mC1 GLY 336 H -0.08 0.64 0.12 -0.55 8.43 8.57 3n9mC1 GLY 336 HA2 -0.03 0.07 0.23 -0.51 4.01 3.77 3n9mC1 GLY 336 HA3 -0.18 -0.09 0.01 -0.51 4.01 3.24 3n9mC1 TYR 337 H 0.01 0.15 -0.33 -0.55 8.29 7.57 3n9mC1 TYR 337 HA -0.03 0.16 0.52 -0.75 4.56 4.45 3n9mC1 TYR 337 HB2 -0.01 -0.04 0.04 -0.04 3.06 3.01 3n9mC1 TYR 337 HB3 -0.02 0.06 -0.02 -0.04 2.98 2.96 3n9mC1 TYR 337 HD2 -0.02 0.02 -0.01 -0.04 7.15 7.10 3n9mC1 TYR 337 HE2 -0.02 0.03 -0.06 -0.04 6.85 6.76 3n9mC1 GLU 338 H 0.12 0.13 -0.07 -0.55 8.60 8.23 3n9mC1 GLU 338 HA 0.05 0.14 0.57 -0.75 4.29 4.30 3n9mC1 GLU 338 HB2 0.09 -0.06 0.17 -0.04 2.09 2.24 3n9mC1 GLU 338 HB3 0.07 0.09 0.12 -0.04 1.99 2.23 3n9mC1 GLU 338 HG2 0.06 0.10 0.03 -0.04 2.34 2.49 3n9mC1 GLU 338 HG3 0.09 -0.07 0.09 -0.04 2.34 2.42 3n9mC1 PHE 339 H 0.11 0.36 -0.22 -0.55 8.34 8.04 3n9mC1 PHE 339 HA -0.11 0.10 0.39 -0.75 4.62 4.24 3n9mC1 PHE 339 HB2 -0.17 0.02 -0.07 -0.04 3.15 2.89 3n9mC1 PHE 339 HB3 -0.25 0.04 0.06 -0.04 3.06 2.87 3n9mC1 PHE 339 HD2 -0.62 0.03 -0.08 -0.04 7.28 6.57 3n9mC1 PHE 339 HE2 -2.10 0.02 -0.11 -0.04 7.38 5.15 3n9mC1 PHE 339 HZ -2.52 0.02 -0.13 -0.04 7.32 4.65 3n9mC1 ARG 340 H -0.17 0.53 -0.12 -0.55 8.46 8.14 3n9mC1 ARG 340 HA -0.81 -0.01 0.29 -0.75 4.34 3.05 3n9mC1 ARG 340 HB2 -0.21 0.13 0.15 -0.04 1.90 1.92 3n9mC1 ARG 340 HB3 -0.13 0.07 0.05 -0.04 1.80 1.75 3n9mC1 ARG 340 HG2 -0.21 -0.07 0.06 -0.04 1.67 1.42 3n9mC1 ARG 340 HG3 -0.24 -0.02 0.04 -0.04 1.67 1.40 3n9mC1 ARG 340 HD2 -0.07 -0.01 -0.01 -0.04 3.22 3.09 3n9mC1 ARG 340 HD3 -0.07 0.03 0.00 -0.04 3.22 3.13 3n9mC1 ARG 341 H -0.12 0.25 -0.57 -0.55 8.46 7.47 3n9mC1 ARG 341 HA -0.08 0.06 0.43 -0.75 4.34 3.99 3n9mC1 ARG 341 HB2 -0.01 0.10 0.13 -0.04 1.90 2.08 3n9mC1 ARG 341 HB3 -0.01 0.04 0.12 -0.04 1.80 1.91 3n9mC1 ARG 341 HG2 -0.02 0.01 -0.13 -0.04 1.67 1.49 3n9mC1 ARG 341 HG3 -0.02 -0.01 0.03 -0.04 1.67 1.62 3n9mC1 ARG 341 HD2 0.01 -0.00 -0.02 -0.04 3.22 3.16 3n9mC1 ARG 341 HD3 -0.01 -0.00 -0.01 -0.04 3.22 3.16 3n9mC1 GLU 342 H -0.07 0.53 -0.05 -0.55 8.60 8.46 3n9mC1 GLU 342 HA 0.02 0.06 0.53 -0.75 4.29 4.14 3n9mC1 GLU 342 HB2 0.12 0.15 0.17 -0.04 2.09 2.49 3n9mC1 GLU 342 HB3 0.30 0.00 -0.07 -0.04 1.99 2.18 3n9mC1 GLU 342 HG2 0.06 -0.04 0.02 -0.04 2.34 2.34 3n9mC1 GLU 342 HG3 0.13 -0.01 -0.01 -0.04 2.34 2.41 3n9mC1 PHE 343 H -0.38 0.79 -0.09 -0.55 8.34 8.11 3n9mC1 PHE 343 HA -0.44 0.06 0.35 -0.75 4.62 3.84 3n9mC1 PHE 343 HB2 -1.92 0.13 -0.03 -0.04 3.15 1.29 3n9mC1 PHE 343 HB3 -0.94 -0.01 0.09 -0.04 3.06 2.16 3n9mC1 PHE 343 HD2 -0.91 0.04 -0.09 -0.04 7.28 6.28 3n9mC1 PHE 343 HE2 -1.03 0.00 -0.12 -0.04 7.38 6.19 3n9mC1 PHE 343 HZ -0.28 -0.00 -0.18 -0.04 7.32 6.81 3n9mC1 GLU 344 H -0.20 0.59 -0.07 -0.55 8.60 8.37 3n9mC1 GLU 344 HA -0.22 -0.09 0.42 -0.75 4.29 3.65 3n9mC1 GLU 344 HB2 -0.12 0.29 0.22 -0.04 2.09 2.43 3n9mC1 GLU 344 HB3 -0.09 0.03 -0.07 -0.04 1.99 1.83 3n9mC1 GLU 344 HG2 -0.07 0.01 0.03 -0.04 2.34 2.26 3n9mC1 GLU 344 HG3 -0.07 -0.01 0.02 -0.04 2.34 2.23 3n9mC1 LYS 345 H -0.09 0.36 -0.46 -0.55 8.42 7.68 3n9mC1 LYS 345 HA -0.04 -0.01 0.34 -0.75 4.32 3.85 3n9mC1 LYS 345 HB2 -0.03 0.31 0.29 -0.04 1.87 2.41 3n9mC1 LYS 345 HB3 0.01 0.04 0.07 -0.04 1.79 1.86 3n9mC1 LYS 345 HG2 0.00 -0.03 0.02 -0.04 1.46 1.42 3n9mC1 LYS 345 HG3 -0.01 -0.03 0.08 -0.04 1.46 1.46 3n9mC1 LYS 345 HD2 -0.01 -0.05 -0.00 -0.04 1.69 1.59 3n9mC1 LYS 345 HD3 -0.01 0.08 -0.02 -0.04 1.68 1.68 3n9mC1 LYS 345 HE2 0.02 0.01 -0.04 -0.04 2.99 2.93 3n9mC1 LYS 345 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.94 3n9mC1 LEU 346 H -0.07 0.43 -0.33 -0.55 8.37 7.86 3n9mC1 LEU 346 HA 0.01 0.08 0.61 -0.75 4.35 4.30 3n9mC1 LEU 346 HB2 0.05 0.07 0.12 -0.04 1.64 1.83 3n9mC1 LEU 346 HB3 0.08 -0.03 0.08 -0.04 1.64 1.73 3n9mC1 LEU 346 HG 0.10 0.02 -0.02 -0.04 1.64 1.70 3n9mC1 LEU 346 HD13 0.29 -0.03 -0.07 -0.04 0.93 1.09 3n9mC1 LEU 346 HD23 0.07 -0.01 0.01 -0.04 0.89 0.92 3n9mC1 GLY 347 H -0.14 0.25 -0.27 -0.55 8.43 7.72 3n9mC1 GLY 347 HA2 -0.07 0.01 0.22 -0.51 4.01 3.67 3n9mC1 GLY 347 HA3 -0.05 0.17 0.87 -0.51 4.01 4.49 3n9mC1 GLY 348 H -0.44 0.48 0.08 -0.55 8.43 8.00 3n9mC1 GLY 348 HA2 -0.88 0.00 0.08 -0.51 4.01 2.70 3n9mC1 GLY 348 HA3 -0.25 0.05 0.41 -0.51 4.01 3.71 3n9mC1 ALA 349 H 0.01 0.16 0.11 -0.55 8.40 8.13 3n9mC1 ALA 349 HA 0.41 0.12 0.31 -0.75 4.34 4.42 3n9mC1 ALA 349 HB3 0.41 0.01 0.05 -0.04 1.41 1.85 3n9mC1 ASP 350 H 0.08 0.15 -0.20 -0.55 8.40 7.89 3n9mC1 ASP 350 HA 0.17 -0.04 0.55 -0.75 4.63 4.56 3n9mC1 ASP 350 HB2 0.06 0.13 0.05 -0.04 2.71 2.91 3n9mC1 ASP 350 HB3 0.07 0.03 0.09 -0.04 2.70 2.85 3n9mC1 ASN 351 H 0.07 0.31 -0.67 -0.55 8.53 7.70 3n9mC1 ASN 351 HA 0.10 0.18 0.80 -0.75 4.76 5.09 3n9mC1 ASN 351 HB2 -0.00 -0.01 -0.15 -0.04 2.88 2.68 3n9mC1 ASN 351 HB3 0.06 0.02 0.16 -0.04 2.79 2.98 3n9mC1 ASN 351 HD21 0.01 -0.09 -0.04 -0.04 7.03 6.87 3n9mC1 ASN 351 HD22 -0.01 0.36 0.07 -0.04 7.74 8.12 3n9mC1 TRP 352 H 0.39 0.22 -0.29 -0.55 7.97 7.75 3n9mC1 TRP 352 HA 0.16 0.00 0.34 -0.75 4.62 4.37 3n9mC1 TRP 352 HB2 0.26 -0.05 -0.01 -0.04 3.23 3.39 3n9mC1 TRP 352 HB3 0.41 0.02 0.11 -0.04 3.23 3.72 3n9mC1 TRP 352 HD1 0.49 -0.20 0.05 -0.04 7.22 7.52 3n9mC1 TRP 352 HE1 0.56 0.52 0.09 -0.04 10.20 11.33 3n9mC1 TRP 352 HE3 0.26 -0.03 -0.07 -0.04 7.59 7.70 3n9mC1 TRP 352 HZ2 0.26 0.06 -0.54 -0.04 7.44 7.17 3n9mC1 TRP 352 HZ3 0.37 -0.03 -0.16 -0.04 7.13 7.27 3n9mC1 TRP 352 HH2 0.36 0.03 -0.27 -0.04 7.19 7.27 3n9mC1 GLY 353 H 0.57 -0.02 0.28 -0.55 8.43 8.71 3n9mC1 GLY 353 HA2 0.14 0.14 0.87 -0.51 4.01 4.64 3n9mC1 GLY 353 HA3 0.20 0.04 0.25 -0.51 4.01 3.99 3n9mC1 LYS 354 H 0.53 -0.07 0.18 -0.55 8.42 8.51 3n9mC1 LYS 354 HA 0.34 0.26 1.05 -0.75 4.32 5.22 3n9mC1 LYS 354 HB2 0.02 0.14 -0.15 -0.04 1.87 1.84 3n9mC1 LYS 354 HB3 0.16 0.03 -0.03 -0.04 1.79 1.91 3n9mC1 LYS 354 HG2 0.13 -0.10 -0.04 -0.04 1.46 1.41 3n9mC1 LYS 354 HG3 -0.46 -0.01 -0.45 -0.04 1.46 0.50 3n9mC1 LYS 354 HD2 -0.38 -0.09 -0.17 -0.04 1.69 1.01 3n9mC1 LYS 354 HD3 -0.24 -0.00 -0.41 -0.04 1.68 0.98 3n9mC1 LYS 354 HE2 0.04 0.22 -0.10 -0.04 2.99 3.10 3n9mC1 LYS 354 HE3 0.06 -0.06 -0.04 -0.04 2.99 2.90 3n9mC1 VAL 355 H -0.40 0.56 0.30 -0.55 8.24 8.16 3n9mC1 VAL 355 HA 0.11 0.24 0.91 -0.75 4.13 4.63 3n9mC1 VAL 355 HB -0.58 -0.01 0.09 -0.04 2.12 1.58 3n9mC1 VAL 355 HG13 -1.40 0.06 0.08 -0.04 0.97 -0.33 3n9mC1 VAL 355 HG23 -0.28 -0.03 -0.25 -0.04 0.95 0.36 3n9mC1 PHE 356 H 0.37 0.54 0.36 -0.55 8.34 9.06 3n9mC1 PHE 356 HA 0.04 0.28 1.08 -0.75 4.62 5.27 3n9mC1 PHE 356 HB2 -0.03 -0.06 0.10 -0.04 3.15 3.12 3n9mC1 PHE 356 HB3 0.02 -0.03 -0.07 -0.04 3.06 2.94 3n9mC1 PHE 356 HD2 0.34 0.05 -0.09 -0.04 7.28 7.54 3n9mC1 PHE 356 HE2 0.26 -0.02 -0.13 -0.04 7.38 7.44 3n9mC1 PHE 356 HZ 0.14 0.05 -0.17 -0.04 7.32 7.30 3n9mC1 MET 357 H 0.04 0.58 0.31 -0.55 8.47 8.86 3n9mC1 MET 357 HA -0.02 0.32 1.05 -0.75 4.52 5.12 3n9mC1 MET 357 HB2 -0.06 -0.00 -0.03 -0.04 2.15 2.02 3n9mC1 MET 357 HB3 -0.01 -0.08 0.09 -0.04 2.03 2.00 3n9mC1 MET 357 HG2 -0.03 0.21 0.03 -0.04 2.63 2.80 3n9mC1 MET 357 HG3 -0.04 0.02 -0.08 -0.04 2.56 2.41 3n9mC1 MET 357 HE3 0.00 0.03 -0.01 -0.04 2.10 2.08 3n9mC1 VAL 358 H -0.02 0.76 0.23 -0.55 8.24 8.67 3n9mC1 VAL 358 HA 0.02 0.17 0.95 -0.75 4.13 4.51 3n9mC1 VAL 358 HB -0.07 0.00 0.01 -0.04 2.12 2.02 3n9mC1 VAL 358 HG13 -0.04 -0.02 -0.39 -0.04 0.97 0.48 3n9mC1 VAL 358 HG23 -0.23 0.01 -0.33 -0.04 0.95 0.35 3n9mC1 LYS 359 H 0.03 0.64 0.22 -0.55 8.42 8.76 3n9mC1 LYS 359 HA 0.02 0.00 0.27 -0.75 4.32 3.85 3n9mC1 LYS 359 HB2 0.03 0.02 0.28 -0.04 1.87 2.17 3n9mC1 LYS 359 HB3 0.03 -0.01 0.08 -0.04 1.79 1.84 3n9mC1 LYS 359 HG2 0.02 -0.01 0.02 -0.04 1.46 1.45 3n9mC1 LYS 359 HG3 0.03 0.05 0.02 -0.04 1.46 1.51 3n9mC1 LYS 359 HD2 0.03 -0.06 -0.07 -0.04 1.69 1.54 3n9mC1 LYS 359 HD3 0.02 -0.01 0.01 -0.04 1.68 1.66 3n9mC1 LYS 359 HE2 0.02 0.01 -0.02 -0.04 2.99 2.96 3n9mC1 LYS 359 HE3 0.02 -0.00 -0.09 -0.04 2.99 2.88 3n9mC1 ASP 360 H 0.02 0.13 -0.14 -0.55 8.40 7.86 3n9mC1 ASP 360 HA 0.04 0.28 0.98 -0.75 4.63 5.18 3n9mC1 ASP 360 HB2 0.03 0.07 -0.01 -0.04 2.71 2.77 3n9mC1 ASP 360 HB3 0.03 0.15 0.29 -0.04 2.70 3.13 3n9mC1 MET 361 H 0.03 0.30 0.19 -0.55 8.47 8.45 3n9mC1 MET 361 HA -0.05 0.06 0.21 -0.75 4.52 3.98 3n9mC1 MET 361 HB2 -0.15 -0.07 0.14 -0.04 2.15 2.04 3n9mC1 MET 361 HB3 -0.05 0.13 0.05 -0.04 2.03 2.12 3n9mC1 MET 361 HG2 0.04 0.11 0.14 -0.04 2.63 2.88 3n9mC1 MET 361 HG3 -0.05 -0.08 -0.02 -0.04 2.56 2.37 3n9mC1 MET 361 HE3 -0.17 -0.05 0.05 -0.04 2.10 1.88 3n9mC1 ASP 362 H -0.01 0.13 -0.36 -0.55 8.40 7.61 3n9mC1 ASP 362 HA -0.07 0.07 0.55 -0.75 4.63 4.43 3n9mC1 ASP 362 HB2 0.02 0.06 0.12 -0.04 2.71 2.87 3n9mC1 ASP 362 HB3 0.06 -0.03 0.12 -0.04 2.70 2.81 3n9mC1 GLY 363 H -0.22 0.19 0.23 -0.55 8.43 8.09 3n9mC1 GLY 363 HA2 -0.88 0.11 0.34 -0.51 4.01 3.07 3n9mC1 GLY 363 HA3 -0.79 -0.01 0.78 -0.51 4.01 3.49 3n9mC1 LEU 364 H -0.18 0.42 -0.23 -0.55 8.37 7.83 3n9mC1 LEU 364 HA -0.11 0.07 0.39 -0.75 4.35 3.95 3n9mC1 LEU 364 HB2 -0.14 0.17 0.13 -0.04 1.64 1.76 3n9mC1 LEU 364 HB3 -0.14 0.00 0.00 -0.04 1.64 1.47 3n9mC1 LEU 364 HG -0.13 -0.06 -0.05 -0.04 1.64 1.37 3n9mC1 LEU 364 HD13 -0.13 0.02 -0.09 -0.04 0.93 0.69 3n9mC1 LEU 364 HD23 -0.24 -0.00 -0.05 -0.04 0.89 0.56 3n9mC1 ASN 365 H -0.16 -0.04 -0.34 -0.55 8.53 7.45 3n9mC1 ASN 365 HA -0.11 0.03 0.25 -0.75 4.76 4.17 3n9mC1 ASN 365 HB2 -0.10 0.08 -0.26 -0.04 2.88 2.56 3n9mC1 ASN 365 HB3 -0.09 -0.10 0.35 -0.04 2.79 2.91 3n9mC1 ASN 365 HD21 -0.05 0.03 0.02 -0.04 7.03 7.00 3n9mC1 ASN 365 HD22 -0.06 -0.00 0.01 -0.04 7.74 7.65 3n9mC1 MET 366 H -0.15 0.11 -0.11 -0.55 8.47 7.77 3n9mC1 MET 366 HA -0.20 0.25 0.61 -0.75 4.52 4.42 3n9mC1 MET 366 HB2 -0.20 -0.08 -0.25 -0.04 2.15 1.58 3n9mC1 MET 366 HB3 -0.21 -0.06 -0.02 -0.04 2.03 1.70 3n9mC1 MET 366 HG2 -0.24 0.11 -0.38 -0.04 2.63 2.07 3n9mC1 MET 366 HG3 -0.31 0.09 -0.25 -0.04 2.56 2.05 3n9mC1 MET 366 HE3 -0.29 -0.02 -0.12 -0.04 2.10 1.63 3n9mC1 THR 367 H -0.17 0.23 -0.05 -0.55 8.28 7.73 3n9mC1 THR 367 HA -0.15 0.01 0.49 -0.75 4.39 3.98 3n9mC1 THR 367 HB -0.13 -0.05 0.05 -0.04 4.32 4.15 3n9mC1 THR 367 HG23 -0.13 0.12 -0.11 -0.04 1.22 1.06 3n9mC1 MET 368 H -0.19 0.14 0.28 -0.55 8.47 8.15 3n9mC1 MET 368 HA -0.36 0.17 0.85 -0.75 4.52 4.43 3n9mC1 MET 368 HB2 -0.24 -0.06 0.01 -0.04 2.15 1.82 3n9mC1 MET 368 HB3 -0.21 0.05 0.06 -0.04 2.03 1.88 3n9mC1 MET 368 HG2 -0.32 -0.03 -0.58 -0.04 2.63 1.66 3n9mC1 MET 368 HG3 -0.69 -0.07 -0.14 -0.04 2.56 1.62 3n9mC1 MET 368 HE3 0.01 0.03 -0.16 -0.04 2.10 1.94 3n9mC1 PRO 369 HA -0.28 0.07 0.57 -0.51 4.44 4.29 3n9mC1 PRO 369 HB2 -0.63 0.06 -0.11 -0.04 2.28 1.56 3n9mC1 PRO 369 HB3 -0.89 -0.03 0.06 -0.04 2.02 1.12 3n9mC1 PRO 369 HG2 -1.34 -0.02 -0.06 -0.04 2.03 0.57 3n9mC1 PRO 369 HG3 -1.10 0.04 -0.09 -0.04 2.03 0.83 3n9mC1 PRO 369 HD2 -0.41 0.06 0.10 -0.04 3.68 3.39 3n9mC1 PRO 369 HD3 -0.73 0.17 0.08 -0.04 3.65 3.12 3n9mC1 LYS 370 H -0.07 0.06 0.15 -0.55 8.42 8.01 3n9mC1 LYS 370 HA -0.02 0.11 0.57 -0.75 4.32 4.24 3n9mC1 LYS 370 HB2 0.03 0.11 0.01 -0.04 1.87 1.98 3n9mC1 LYS 370 HB3 -0.00 0.00 0.14 -0.04 1.79 1.89 3n9mC1 LYS 370 HG2 0.02 0.01 0.05 -0.04 1.46 1.50 3n9mC1 LYS 370 HG3 -0.01 0.01 0.14 -0.04 1.46 1.57 3n9mC1 LYS 370 HD2 0.07 -0.14 0.16 -0.04 1.69 1.74 3n9mC1 LYS 370 HD3 0.11 0.02 -0.01 -0.04 1.68 1.76 3n9mC1 LYS 370 HE2 0.06 0.04 0.05 -0.04 2.99 3.10 3n9mC1 LYS 370 HE3 0.25 -0.05 0.02 -0.04 2.99 3.17 3n9mC1 PRO 371 HA 0.10 0.10 0.45 -0.51 4.44 4.59 3n9mC1 PRO 371 HB2 0.05 -0.02 0.05 -0.04 2.28 2.32 3n9mC1 PRO 371 HB3 0.06 0.09 0.17 -0.04 2.02 2.30 3n9mC1 PRO 371 HG2 0.04 -0.00 0.13 -0.04 2.03 2.16 3n9mC1 PRO 371 HG3 0.06 0.10 0.15 -0.04 2.03 2.30 3n9mC1 PRO 371 HD2 0.02 0.04 0.23 -0.04 3.68 3.94 3n9mC1 PRO 371 HD3 0.01 0.18 0.29 -0.04 3.65 4.09 3n9mC1 GLY 372 H 0.11 0.23 0.13 -0.55 8.43 8.35 3n9mC1 GLY 372 HA2 0.06 -0.02 0.37 -0.51 4.01 3.91 3n9mC1 GLY 372 HA3 0.06 0.16 0.78 -0.51 4.01 4.51 3n9mC1 PHE 373 H 0.22 0.50 -0.34 -0.55 8.34 8.16 3n9mC1 PHE 373 HA 0.02 -0.06 0.51 -0.75 4.62 4.33 3n9mC1 PHE 373 HB2 -0.00 0.05 0.07 -0.04 3.15 3.23 3n9mC1 PHE 373 HB3 0.03 0.08 -0.02 -0.04 3.06 3.11 3n9mC1 PHE 373 HD2 0.05 -0.01 -0.27 -0.04 7.28 7.01 3n9mC1 PHE 373 HE2 0.11 -0.01 -0.15 -0.04 7.38 7.30 3n9mC1 PHE 373 HZ 0.03 -0.00 -0.16 -0.04 7.32 7.15 3n9mC1 ASP 374 H -0.55 0.05 0.17 -0.55 8.40 7.52 3n9mC1 ASP 374 HA 0.03 0.21 0.51 -0.75 4.63 4.63 3n9mC1 ASP 374 HB2 -0.02 -0.16 0.16 -0.04 2.71 2.65 3n9mC1 ASP 374 HB3 0.02 0.23 -0.25 -0.04 2.70 2.67 3n9mC1 LEU 375 H -0.10 0.26 0.10 -0.55 8.37 8.09 3n9mC1 LEU 375 HA -0.10 0.08 0.28 -0.75 4.35 3.86 3n9mC1 LEU 375 HB2 -0.27 0.08 0.10 -0.04 1.64 1.51 3n9mC1 LEU 375 HB3 -0.12 0.01 0.07 -0.04 1.64 1.56 3n9mC1 LEU 375 HG -0.01 -0.03 -0.14 -0.04 1.64 1.42 3n9mC1 LEU 375 HD13 0.04 -0.00 -0.01 -0.04 0.93 0.92 3n9mC1 LEU 375 HD23 -0.23 0.03 -0.08 -0.04 0.89 0.57 3n9mC1 GLU 376 H -0.10 0.14 -0.17 -0.55 8.60 7.92 3n9mC1 GLU 376 HA -0.06 0.07 0.35 -0.75 4.29 3.90 3n9mC1 GLU 376 HB2 -0.10 0.01 0.01 -0.04 2.09 1.96 3n9mC1 GLU 376 HB3 -0.05 0.05 0.02 -0.04 1.99 1.98 3n9mC1 GLU 376 HG2 -0.04 -0.10 0.05 -0.04 2.34 2.21 3n9mC1 GLU 376 HG3 -0.03 0.09 0.01 -0.04 2.34 2.37 3n9mC1 ASP 377 H -0.31 0.15 -0.25 -0.55 8.40 7.44 3n9mC1 ASP 377 HA -0.18 0.05 0.45 -0.75 4.63 4.20 3n9mC1 ASP 377 HB2 -1.35 0.15 0.10 -0.04 2.71 1.56 3n9mC1 ASP 377 HB3 -0.44 0.03 0.04 -0.04 2.70 2.29 3n9mC1 VAL 378 H -0.26 0.34 -0.17 -0.55 8.24 7.59 3n9mC1 VAL 378 HA -0.00 0.04 0.37 -0.75 4.13 3.79 3n9mC1 VAL 378 HB -0.05 0.10 0.13 -0.04 2.12 2.26 3n9mC1 VAL 378 HG13 -0.06 -0.01 -0.17 -0.04 0.97 0.70 3n9mC1 VAL 378 HG23 0.12 0.02 -0.11 -0.04 0.95 0.95 3n9mC1 VAL 379 H -0.08 0.51 -0.16 -0.55 8.24 7.96 3n9mC1 VAL 379 HA -0.07 0.06 0.39 -0.75 4.13 3.76 3n9mC1 VAL 379 HB -0.01 0.00 -0.10 -0.04 2.12 1.97 3n9mC1 VAL 379 HG13 -0.02 0.11 0.03 -0.04 0.97 1.04 3n9mC1 VAL 379 HG23 -0.00 -0.02 -0.28 -0.04 0.95 0.60 3n9mC1 LYS 380 H -0.06 0.39 -0.20 -0.55 8.42 8.00 3n9mC1 LYS 380 HA -0.03 -0.00 0.49 -0.75 4.32 4.02 3n9mC1 LYS 380 HB2 -0.05 0.12 0.14 -0.04 1.87 2.04 3n9mC1 LYS 380 HB3 -0.03 -0.02 0.02 -0.04 1.79 1.72 3n9mC1 LYS 380 HG2 -0.03 -0.05 0.02 -0.04 1.46 1.36 3n9mC1 LYS 380 HG3 -0.05 0.19 0.11 -0.04 1.46 1.67 3n9mC1 LYS 380 HD2 -0.08 -0.05 -0.03 -0.04 1.69 1.49 3n9mC1 LYS 380 HD3 -0.04 -0.01 -0.02 -0.04 1.68 1.57 3n9mC1 LYS 380 HE2 -0.03 -0.00 -0.06 -0.04 2.99 2.85 3n9mC1 LYS 380 HE3 -0.05 0.02 -0.17 -0.04 2.99 2.75 3n9mC1 ILE 381 H -0.05 0.40 -0.20 -0.55 8.25 7.86 3n9mC1 ILE 381 HA -0.02 0.04 0.38 -0.75 4.18 3.83 3n9mC1 ILE 381 HB -0.04 0.08 0.13 -0.04 1.89 2.01 3n9mC1 ILE 381 HG12 0.00 -0.05 -0.02 -0.04 1.49 1.38 3n9mC1 ILE 381 HG13 -0.01 0.31 0.13 -0.04 1.21 1.60 3n9mC1 ILE 381 HG23 -0.04 -0.02 -0.11 -0.04 0.93 0.73 3n9mC1 ILE 381 HD13 0.10 -0.03 -0.09 -0.04 0.88 0.82 3n9mC1 MET 382 H -0.10 0.52 0.01 -0.55 8.47 8.35 3n9mC1 MET 382 HA -0.16 0.03 0.49 -0.75 4.52 4.13 3n9mC1 MET 382 HB2 -0.26 0.02 0.05 -0.04 2.15 1.92 3n9mC1 MET 382 HB3 -0.74 -0.07 0.05 -0.04 2.03 1.24 3n9mC1 MET 382 HG2 -0.19 0.20 0.12 -0.04 2.63 2.71 3n9mC1 MET 382 HG3 -0.38 -0.04 -0.02 -0.04 2.56 2.07 3n9mC1 MET 382 HE3 -0.57 -0.00 -0.02 -0.04 2.10 1.47 3n9mC1 GLY 383 H -0.05 0.41 -0.29 -0.55 8.43 7.96 3n9mC1 GLY 383 HA2 0.00 0.07 0.37 -0.51 4.01 3.94 3n9mC1 GLY 383 HA3 0.03 0.12 0.76 -0.51 4.01 4.41 3n9mC1 SER 384 H 0.02 0.21 0.15 -0.55 8.46 8.29 3n9mC1 SER 384 HA 0.03 0.04 0.31 -0.75 4.49 4.11 3n9mC1 SER 384 HB2 0.02 0.03 0.06 -0.04 3.95 4.02 3n9mC1 SER 384 HB3 0.03 -0.04 0.07 -0.04 3.93 3.95 3n9mC1 ASP 385 H 0.04 0.13 -0.30 -0.55 8.40 7.72 3n9mC1 ASP 385 HA 0.03 0.07 0.55 -0.75 4.63 4.54 3n9mC1 ASP 385 HB2 0.03 0.05 0.03 -0.04 2.71 2.78 3n9mC1 ASP 385 HB3 0.02 0.02 0.10 -0.04 2.70 2.80 3n9mC1 TYR 386 H 0.14 0.44 -0.37 -0.55 8.29 7.95 3n9mC1 TYR 386 HA -0.03 0.03 0.40 -0.75 4.56 4.20 3n9mC1 TYR 386 HB2 -0.04 0.23 -0.03 -0.04 3.06 3.18 3n9mC1 TYR 386 HB3 -0.08 -0.07 0.04 -0.04 2.98 2.83 3n9mC1 TYR 386 HD2 -0.10 -0.02 -0.15 -0.04 7.15 6.84 3n9mC1 TYR 386 HE2 -0.10 -0.06 -0.02 -0.04 6.85 6.63 3n9mC1 GLU 387 H -0.38 0.16 0.23 -0.55 8.60 8.07 3n9mC1 GLU 387 HA -0.10 0.08 0.62 -0.75 4.29 4.14 3n9mC1 GLU 387 HB2 -0.22 0.03 0.18 -0.04 2.09 2.04 3n9mC1 GLU 387 HB3 -0.12 -0.09 -0.03 -0.04 1.99 1.70 3n9mC1 GLU 387 HG2 -0.05 -0.05 -0.07 -0.04 2.34 2.12 3n9mC1 GLU 387 HG3 -0.09 0.13 0.08 -0.04 2.34 2.42 3n9mC1 VAL 388 H -0.09 0.59 0.26 -0.55 8.24 8.45 3n9mC1 VAL 388 HA -0.15 0.15 0.99 -0.75 4.13 4.38 3n9mC1 VAL 388 HB -0.16 0.03 -0.08 -0.04 2.12 1.87 3n9mC1 VAL 388 HG13 -0.21 0.02 -0.01 -0.04 0.97 0.73 3n9mC1 VAL 388 HG23 -0.53 -0.01 -0.20 -0.04 0.95 0.17 3n9mC1 ASP 389 H -0.09 0.13 0.19 -0.55 8.40 8.08 3n9mC1 ASP 389 HA -0.01 0.10 0.58 -0.75 4.63 4.55 3n9mC1 ASP 389 HB2 -0.07 0.03 0.28 -0.04 2.71 2.90 3n9mC1 ASP 389 HB3 -0.05 0.04 0.01 -0.04 2.70 2.67 3n9mC1 THR 390 H 0.06 0.80 0.42 -0.55 8.28 9.01 3n9mC1 THR 390 HA 0.12 0.11 1.03 -0.75 4.39 4.89 3n9mC1 THR 390 HB 0.11 0.04 0.02 -0.04 4.32 4.45 3n9mC1 THR 390 HG23 0.30 0.00 -0.33 -0.04 1.22 1.15 3n9mC1 ILE 391 H 0.10 0.83 0.37 -0.55 8.25 9.00 3n9mC1 ILE 391 HA -0.01 0.15 0.89 -0.75 4.18 4.46 3n9mC1 ILE 391 HB -0.00 0.00 0.17 -0.04 1.89 2.01 3n9mC1 ILE 391 HG12 -0.07 -0.00 -0.17 -0.04 1.49 1.20 3n9mC1 ILE 391 HG13 -0.03 -0.14 -0.13 -0.04 1.21 0.86 3n9mC1 ILE 391 HG23 -0.06 0.00 -0.30 -0.04 0.93 0.53 3n9mC1 ILE 391 HD13 -0.09 0.02 -0.14 -0.04 0.88 0.64 3n9mC1 ASP 392 H 0.08 0.53 0.32 -0.55 8.40 8.78 3n9mC1 ASP 392 HA -0.21 0.16 0.76 -0.75 4.63 4.58 3n9mC1 ASP 392 HB2 0.55 -0.00 0.09 -0.04 2.71 3.31 3n9mC1 ASP 392 HB3 0.27 0.04 0.18 -0.04 2.70 3.15 3n9mC1 VAL 393 H -0.27 0.59 0.25 -0.55 8.24 8.26 3n9mC1 VAL 393 HA -0.06 0.05 0.18 -0.75 4.13 3.55 3n9mC1 VAL 393 HB -0.42 -0.08 0.14 -0.04 2.12 1.71 3n9mC1 VAL 393 HG13 0.04 0.07 0.00 -0.04 0.97 1.05 3n9mC1 VAL 393 HG23 -0.12 0.06 -0.08 -0.04 0.95 0.77 3n9mC1 TYR 394 H -0.28 0.04 0.01 -0.55 8.29 7.51 3n9mC1 TYR 394 HA 0.09 0.21 0.31 -0.75 4.56 4.42 3n9mC1 TYR 394 HB2 -0.03 -0.04 0.11 -0.04 3.06 3.06 3n9mC1 TYR 394 HB3 0.06 0.02 0.08 -0.04 2.98 3.10 3n9mC1 TYR 394 HD2 -0.11 0.10 0.03 -0.04 7.15 7.13 3n9mC1 TYR 394 HE2 -0.05 0.26 0.02 -0.04 6.85 7.04 3n9mC1 ASN 395 H 0.21 0.06 -0.32 -0.55 8.53 7.93 3n9mC1 ASN 395 HA 0.30 0.21 0.61 -0.75 4.76 5.13 3n9mC1 ASN 395 HB2 0.52 -0.08 0.07 -0.04 2.88 3.35 3n9mC1 ASN 395 HB3 0.22 0.00 0.03 -0.04 2.79 3.00 3n9mC1 ASN 395 HD21 -0.12 -0.10 0.01 -0.04 7.03 6.77 3n9mC1 ASN 395 HD22 0.19 0.43 0.19 -0.04 7.74 8.51 3n9mC1 GLN 396 H -0.00 0.41 -0.62 -0.55 8.47 7.71 3n9mC1 GLN 396 HA -0.14 0.03 0.27 -0.75 4.36 3.77 3n9mC1 GLN 396 HB2 -0.92 -0.00 -0.03 -0.04 2.15 1.15 3n9mC1 GLN 396 HB3 -0.39 -0.05 0.20 -0.04 2.02 1.74 3n9mC1 GLN 396 HG2 -0.17 0.14 -0.02 -0.04 2.40 2.31 3n9mC1 GLN 396 HG3 -0.44 -0.13 0.02 -0.04 2.39 1.79 3n9mC1 GLN 396 HE21 0.05 0.04 0.12 -0.04 6.97 7.14 3n9mC1 GLN 396 HE22 0.07 0.33 0.16 -0.04 7.69 8.20 3n9mC1 SER 397 H -0.10 0.35 -0.11 -0.55 8.46 8.06 3n9mC1 SER 397 HA -0.19 0.12 0.58 -0.75 4.49 4.25 3n9mC1 SER 397 HB2 -0.26 -0.09 -0.12 -0.04 3.95 3.44 3n9mC1 SER 397 HB3 -0.34 -0.07 0.07 -0.04 3.93 3.55 3n9mC1 THR 398 H -0.27 0.24 0.14 -0.55 8.28 7.83 3n9mC1 THR 398 HA -0.16 0.27 1.18 -0.75 4.39 4.93 3n9mC1 THR 398 HB -0.07 -0.08 -0.16 -0.04 4.32 3.97 3n9mC1 THR 398 HG23 -0.12 0.02 -0.24 -0.04 1.22 0.84 3n9mC1 TYR 399 H 0.08 0.91 0.45 -0.55 8.29 9.18 3n9mC1 TYR 399 HA 0.11 0.16 0.94 -0.75 4.56 5.01 3n9mC1 TYR 399 HB2 0.19 0.02 -0.01 -0.04 3.06 3.22 3n9mC1 TYR 399 HB3 0.06 -0.12 -0.04 -0.04 2.98 2.84 3n9mC1 TYR 399 HD2 0.01 -0.03 -0.05 -0.04 7.15 7.03 3n9mC1 TYR 399 HE2 -0.29 0.02 -0.06 -0.04 6.85 6.47 3n9mC1 SER 400 H 0.16 0.12 0.16 -0.55 8.46 8.36 3n9mC1 SER 400 HA 0.04 0.17 0.59 -0.75 4.49 4.54 3n9mC1 SER 400 HB2 0.02 -0.08 0.12 -0.04 3.95 3.97 3n9mC1 SER 400 HB3 0.00 0.02 -0.00 -0.04 3.93 3.91 3n9mC1 MET 401 H 0.00 0.25 0.16 -0.55 8.47 8.33 3n9mC1 MET 401 HA 0.14 -0.06 0.55 -0.75 4.52 4.40 3n9mC1 MET 401 HB2 -0.12 0.11 -0.18 -0.04 2.15 1.92 3n9mC1 MET 401 HB3 -0.04 0.08 -0.07 -0.04 2.03 1.96 3n9mC1 MET 401 HG2 -0.03 0.23 -0.24 -0.04 2.63 2.55 3n9mC1 MET 401 HG3 -0.23 -0.07 -0.01 -0.04 2.56 2.21 3n9mC1 MET 401 HE3 -1.51 0.01 -0.16 -0.04 2.10 0.40 3n9mC1 LYS 402 H 0.08 0.09 0.14 -0.55 8.42 8.18 3n9mC1 LYS 402 HA 0.02 0.23 0.42 -0.75 4.32 4.23 3n9mC1 LYS 402 HB2 0.07 -0.12 0.19 -0.04 1.87 1.96 3n9mC1 LYS 402 HB3 0.05 0.10 0.15 -0.04 1.79 2.04 3n9mC1 LYS 402 HG2 0.03 0.14 0.06 -0.04 1.46 1.65 3n9mC1 LYS 402 HG3 0.05 -0.07 0.10 -0.04 1.46 1.50 3n9mC1 LYS 402 HD2 0.06 -0.04 0.04 -0.04 1.69 1.71 3n9mC1 LYS 402 HD3 0.04 0.03 0.02 -0.04 1.68 1.73 3n9mC1 LYS 402 HE2 0.03 0.04 0.02 -0.04 2.99 3.03 3n9mC1 LYS 402 HE3 0.04 -0.02 0.02 -0.04 2.99 2.98 3n9mC1 LEU 403 H 0.05 0.59 0.22 -0.55 8.37 8.68 3n9mC1 LEU 403 HA 0.01 0.03 0.40 -0.75 4.35 4.03 3n9mC1 LEU 403 HB2 0.08 0.18 0.14 -0.04 1.64 2.00 3n9mC1 LEU 403 HB3 0.03 0.06 0.04 -0.04 1.64 1.74 3n9mC1 LEU 403 HG -0.02 -0.09 -0.07 -0.04 1.64 1.42 3n9mC1 LEU 403 HD13 -0.25 -0.02 -0.01 -0.04 0.93 0.62 3n9mC1 LEU 403 HD23 -0.15 0.02 -0.12 -0.04 0.89 0.60 3n9mC1 ASP 404 H 0.05 0.29 -0.23 -0.55 8.40 7.97 3n9mC1 ASP 404 HA 0.06 0.08 0.49 -0.75 4.63 4.51 3n9mC1 ASP 404 HB2 0.04 0.01 0.15 -0.04 2.71 2.87 3n9mC1 ASP 404 HB3 0.04 -0.01 0.04 -0.04 2.70 2.74 3n9mC1 THR 405 H 0.06 0.10 -0.17 -0.55 8.28 7.72 3n9mC1 THR 405 HA 0.05 0.09 0.42 -0.75 4.39 4.19 3n9mC1 THR 405 HB 0.03 0.07 0.06 -0.04 4.32 4.44 3n9mC1 THR 405 HG23 0.14 0.01 -0.07 -0.04 1.22 1.26 3n9mC1 PHE 406 H 0.14 0.48 -0.27 -0.55 8.34 8.14 3n9mC1 PHE 406 HA -0.12 0.05 0.30 -0.75 4.62 4.09 3n9mC1 PHE 406 HB2 -0.03 0.02 -0.03 -0.04 3.15 3.07 3n9mC1 PHE 406 HB3 0.03 0.15 0.03 -0.04 3.06 3.23 3n9mC1 PHE 406 HD2 0.02 -0.01 -0.22 -0.04 7.28 7.02 3n9mC1 PHE 406 HE2 -0.12 -0.02 -0.27 -0.04 7.38 6.93 3n9mC1 PHE 406 HZ -0.09 0.08 -0.20 -0.04 7.32 7.07 3n9mC1 ARG 407 H 0.19 0.44 -0.24 -0.55 8.46 8.30 3n9mC1 ARG 407 HA 0.10 -0.03 0.35 -0.75 4.34 4.01 3n9mC1 ARG 407 HB2 0.09 0.12 0.14 -0.04 1.90 2.22 3n9mC1 ARG 407 HB3 0.06 0.14 0.14 -0.04 1.80 2.10 3n9mC1 ARG 407 HG2 0.04 -0.06 -0.02 -0.04 1.67 1.59 3n9mC1 ARG 407 HG3 0.02 -0.04 -0.07 -0.04 1.67 1.55 3n9mC1 ARG 407 HD2 0.01 -0.04 -0.06 -0.04 3.22 3.10 3n9mC1 ARG 407 HD3 0.03 0.02 -0.05 -0.04 3.22 3.18 3n9mC1 LYS 408 H 0.03 0.53 -0.26 -0.55 8.42 8.16 3n9mC1 LYS 408 HA 0.01 -0.02 0.38 -0.75 4.32 3.94 3n9mC1 LYS 408 HB2 0.01 -0.07 0.08 -0.04 1.87 1.85 3n9mC1 LYS 408 HB3 0.02 0.12 0.20 -0.04 1.79 2.09 3n9mC1 LYS 408 HG2 -0.00 0.09 -0.20 -0.04 1.46 1.30 3n9mC1 LYS 408 HG3 -0.00 -0.03 -0.09 -0.04 1.46 1.30 3n9mC1 LYS 408 HD2 0.01 -0.02 -0.02 -0.04 1.69 1.62 3n9mC1 LYS 408 HD3 0.03 -0.04 -0.01 -0.04 1.68 1.62 3n9mC1 LYS 408 HE2 0.05 0.03 -0.02 -0.04 2.99 3.01 3n9mC1 LYS 408 HE3 0.02 0.01 -0.04 -0.04 2.99 2.95 3n9mC1 LEU 409 H -0.09 0.47 -0.14 -0.55 8.37 8.06 3n9mC1 LEU 409 HA -0.06 0.07 0.58 -0.75 4.35 4.19 3n9mC1 LEU 409 HB2 -0.29 0.04 0.11 -0.04 1.64 1.46 3n9mC1 LEU 409 HB3 -0.13 0.02 0.01 -0.04 1.64 1.50 3n9mC1 LEU 409 HG -0.11 0.08 -0.02 -0.04 1.64 1.55 3n9mC1 LEU 409 HD13 -0.48 -0.04 -0.12 -0.04 0.93 0.24 3n9mC1 LEU 409 HD23 0.01 0.00 -0.01 -0.04 0.89 0.85 3n9mC1 PHE 410 H -0.08 0.48 -0.18 -0.55 8.34 8.01 3n9mC1 PHE 410 HA -0.24 0.07 0.34 -0.75 4.62 4.03 3n9mC1 PHE 410 HB2 -0.64 0.06 0.02 -0.04 3.15 2.55 3n9mC1 PHE 410 HB3 -0.15 -0.00 0.09 -0.04 3.06 2.96 3n9mC1 PHE 410 HD2 -0.21 0.02 -0.19 -0.04 7.28 6.87 3n9mC1 PHE 410 HE2 0.00 0.00 -0.18 -0.04 7.38 7.17 3n9mC1 PHE 410 HZ 0.01 -0.04 -0.06 -0.04 7.32 7.19 3n9mC1 ARG 411 H 0.07 0.47 -0.07 -0.55 8.46 8.38 3n9mC1 ARG 411 HA 0.03 0.07 0.55 -0.75 4.34 4.23 3n9mC1 ARG 411 HB2 0.04 0.09 0.07 -0.04 1.90 2.06 3n9mC1 ARG 411 HB3 0.03 -0.05 0.06 -0.04 1.80 1.79 3n9mC1 ARG 411 HG2 0.13 0.03 0.01 -0.04 1.67 1.80 3n9mC1 ARG 411 HG3 0.06 -0.06 0.01 -0.04 1.67 1.63 3n9mC1 ARG 411 HD2 0.08 -0.02 0.03 -0.04 3.22 3.26 3n9mC1 ARG 411 HD3 0.13 0.13 -0.03 -0.04 3.22 3.41 3n9mC1 ASP 412 H -0.04 0.28 -0.43 -0.55 8.40 7.66 3n9mC1 ASP 412 HA -0.03 -0.06 0.75 -0.75 4.63 4.53 3n9mC1 ASP 412 HB2 -0.03 -0.00 0.17 -0.04 2.71 2.81 3n9mC1 ASP 412 HB3 -0.04 0.19 0.27 -0.04 2.70 3.08 3n9mC1 THR 413 H -0.05 0.19 0.10 -0.55 8.28 7.97 3n9mC1 THR 413 HA -0.12 0.24 0.48 -0.75 4.39 4.23 3n9mC1 THR 413 HB -0.06 -0.07 0.06 -0.04 4.32 4.21 3n9mC1 THR 413 HG23 -0.08 -0.01 0.02 -0.04 1.22 1.10 3n9mC1 LYS 414 H -0.04 -0.01 -0.02 -0.55 8.42 7.80 3n9mC1 LYS 414 HA -0.03 0.09 0.44 -0.75 4.32 4.06 3n9mC1 LYS 414 HB2 -0.02 -0.01 0.10 -0.04 1.87 1.90 3n9mC1 LYS 414 HB3 -0.02 -0.06 0.13 -0.04 1.79 1.80 3n9mC1 LYS 414 HG2 -0.01 0.01 -0.27 -0.04 1.46 1.14 3n9mC1 LYS 414 HG3 -0.01 0.02 -0.09 -0.04 1.46 1.34 3n9mC1 LYS 414 HD2 -0.01 -0.01 0.00 -0.04 1.69 1.64 3n9mC1 LYS 414 HD3 -0.01 -0.02 -0.01 -0.04 1.68 1.61 3n9mC1 LYS 414 HE2 -0.00 -0.00 -0.05 -0.04 2.99 2.90 3n9mC1 LYS 414 HE3 -0.01 0.01 -0.04 -0.04 2.99 2.92 3n9mC1 ASN 415 H -0.03 0.05 -0.20 -0.55 8.53 7.80 3n9mC1 ASN 415 HA -0.01 0.15 0.88 -0.75 4.76 5.02 3n9mC1 ASN 415 HB2 -0.01 -0.05 0.11 -0.04 2.88 2.88 3n9mC1 ASN 415 HB3 -0.00 0.01 -0.01 -0.04 2.79 2.75 3n9mC1 ASN 415 HD21 0.00 -0.01 -0.02 -0.04 7.03 6.96 3n9mC1 ASN 415 HD22 0.00 -0.00 -0.02 -0.04 7.74 7.68 3n9mC1 ARG 416 H -0.01 0.17 -0.03 -0.55 8.46 8.04 3n9mC1 ARG 416 HA -0.01 0.17 0.81 -0.75 4.34 4.55 3n9mC1 ARG 416 HB2 -0.03 -0.01 0.03 -0.04 1.90 1.85 3n9mC1 ARG 416 HB3 -0.05 -0.00 0.07 -0.04 1.80 1.77 3n9mC1 ARG 416 HG2 -0.07 0.10 0.06 -0.04 1.67 1.72 3n9mC1 ARG 416 HG3 -0.07 0.01 -0.50 -0.04 1.67 1.07 3n9mC1 ARG 416 HD2 -0.11 -0.01 0.01 -0.04 3.22 3.07 3n9mC1 ARG 416 HD3 -0.12 -0.12 0.02 -0.04 3.22 2.96 3n9mC1 PRO 417 HA -0.02 0.07 0.46 -0.51 4.44 4.43 3n9mC1 PRO 417 HB2 -0.05 -0.04 0.03 -0.04 2.28 2.18 3n9mC1 PRO 417 HB3 -0.07 0.03 0.06 -0.04 2.02 2.00 3n9mC1 PRO 417 HG2 0.03 0.02 0.02 -0.04 2.03 2.06 3n9mC1 PRO 417 HG3 0.00 0.02 0.02 -0.04 2.03 2.03 3n9mC1 PRO 417 HD2 0.03 0.12 0.08 -0.04 3.68 3.87 3n9mC1 PRO 417 HD3 0.01 0.07 -0.37 -0.04 3.65 3.32 3n9mC1 LEU 418 H -0.00 0.10 -0.02 -0.55 8.37 7.91 3n9mC1 LEU 418 HA -0.19 0.16 0.88 -0.75 4.35 4.44 3n9mC1 LEU 418 HB2 0.05 -0.01 0.00 -0.04 1.64 1.64 3n9mC1 LEU 418 HB3 -0.66 0.01 -0.00 -0.04 1.64 0.94 3n9mC1 LEU 418 HG 0.08 -0.03 -0.01 -0.04 1.64 1.64 3n9mC1 LEU 418 HD13 -0.33 0.01 -0.15 -0.04 0.93 0.42 3n9mC1 LEU 418 HD23 0.10 -0.01 -0.07 -0.04 0.89 0.87 3n9mC1 LEU 419 H -0.87 0.03 0.16 -0.55 8.37 7.14 3n9mC1 LEU 419 HA -0.24 0.27 0.85 -0.75 4.35 4.47 3n9mC1 LEU 419 HB2 -0.66 -0.13 0.05 -0.04 1.64 0.86 3n9mC1 LEU 419 HB3 -0.24 -0.02 -0.09 -0.04 1.64 1.25 3n9mC1 LEU 419 HG -0.51 -0.01 -0.20 -0.04 1.64 0.88 3n9mC1 LEU 419 HD13 -0.04 0.01 -0.29 -0.04 0.93 0.58 3n9mC1 LEU 419 HD23 -0.10 0.05 -0.12 -0.04 0.89 0.68 3n9mC1 TYR 420 H 0.01 0.26 0.09 -0.55 8.29 8.10 3n9mC1 TYR 420 HA 0.02 0.36 1.07 -0.75 4.56 5.26 3n9mC1 TYR 420 HB2 -0.02 0.01 -0.01 -0.04 3.06 3.00 3n9mC1 TYR 420 HB3 0.22 -0.02 -0.15 -0.04 2.98 3.00 3n9mC1 TYR 420 HD2 -0.03 0.06 -0.30 -0.04 7.15 6.84 3n9mC1 TYR 420 HE2 0.07 0.01 -0.14 -0.04 6.85 6.75 3n9mC1 ASN 421 H 0.11 0.37 0.28 -0.55 8.53 8.74 3n9mC1 ASN 421 HA 0.11 0.34 1.02 -0.75 4.76 5.47 3n9mC1 ASN 421 HB2 -0.01 -0.04 0.02 -0.04 2.88 2.81 3n9mC1 ASN 421 HB3 -0.05 0.15 0.03 -0.04 2.79 2.87 3n9mC1 ASN 421 HD21 0.02 -0.00 -0.09 -0.04 7.03 6.91 3n9mC1 ASN 421 HD22 -0.01 0.07 -0.14 -0.04 7.74 7.61 3n9mC1 PHE 422 H -0.65 0.36 0.23 -0.55 8.34 7.72 3n9mC1 PHE 422 HA -0.07 0.10 1.51 -0.75 4.62 5.41 3n9mC1 PHE 422 HB2 -0.17 0.02 0.03 -0.04 3.15 2.99 3n9mC1 PHE 422 HB3 -0.30 -0.05 -0.07 -0.04 3.06 2.60 3n9mC1 PHE 422 HD2 -0.81 0.08 -0.13 -0.04 7.28 6.38 3n9mC1 PHE 422 HE2 -0.50 0.11 -0.23 -0.04 7.38 6.72 3n9mC1 PHE 422 HZ -0.25 -0.02 -0.11 -0.04 7.32 6.91 3n9mC1 LEU 423 H 0.06 0.48 0.21 -0.55 8.37 8.57 3n9mC1 LEU 423 HA -0.07 0.06 0.23 -0.75 4.35 3.81 3n9mC1 LEU 423 HB2 -0.04 -0.00 -0.01 -0.04 1.64 1.54 3n9mC1 LEU 423 HB3 -0.10 -0.03 0.09 -0.04 1.64 1.56 3n9mC1 LEU 423 HG -0.09 -0.01 -0.15 -0.04 1.64 1.35 3n9mC1 LEU 423 HD13 -0.14 0.00 -0.20 -0.04 0.93 0.55 3n9mC1 LEU 423 HD23 -0.16 0.03 -0.15 -0.04 0.89 0.57 3n9mC1 SER 424 H -0.02 -0.07 -0.03 -0.55 8.46 7.79 3n9mC1 SER 424 HA -0.18 0.27 0.86 -0.75 4.49 4.68 3n9mC1 SER 424 HB2 -0.23 0.02 -0.15 -0.04 3.95 3.55 3n9mC1 SER 424 HB3 -0.15 -0.01 0.18 -0.04 3.93 3.91 3n9mC1 LEU 425 H -0.05 0.03 0.18 -0.55 8.37 7.98 3n9mC1 LEU 425 HA 0.02 -0.02 0.42 -0.75 4.35 4.02 3n9mC1 LEU 425 HB2 -0.43 -0.12 -0.00 -0.04 1.64 1.04 3n9mC1 LEU 425 HB3 -0.02 0.55 0.26 -0.04 1.64 2.39 3n9mC1 LEU 425 HG -0.00 -0.02 0.09 -0.04 1.64 1.67 3n9mC1 LEU 425 HD13 -0.11 0.01 -0.16 -0.04 0.93 0.62 3n9mC1 LEU 425 HD23 -0.65 -0.01 -0.05 -0.04 0.89 0.13 3n9mC1 GLU 426 H 0.03 0.08 0.12 -0.55 8.60 8.28 3n9mC1 GLU 426 HA -0.02 0.33 0.81 -0.75 4.29 4.66 3n9mC1 GLU 426 HB2 -0.02 -0.06 0.07 -0.04 2.09 2.03 3n9mC1 GLU 426 HB3 -0.03 -0.03 0.09 -0.04 1.99 1.98 3n9mC1 GLU 426 HG2 -0.01 0.09 -0.29 -0.04 2.34 2.08 3n9mC1 GLU 426 HG3 -0.01 0.29 -0.14 -0.04 2.34 2.44 3n9mC1 PHE 427 H -0.59 0.63 0.24 -0.55 8.34 8.06 3n9mC1 PHE 427 HA -0.00 0.16 0.83 -0.75 4.62 4.85 3n9mC1 PHE 427 HB2 -0.00 -0.11 0.15 -0.04 3.15 3.15 3n9mC1 PHE 427 HB3 -0.02 0.03 -0.10 -0.04 3.06 2.93 3n9mC1 PHE 427 HD2 0.06 -0.03 -0.22 -0.04 7.28 7.05 3n9mC1 PHE 427 HE2 0.17 0.18 -0.35 -0.04 7.38 7.34 3n9mC1 PHE 427 HZ 0.18 0.07 -0.14 -0.04 7.32 7.39 3n9mC1 SER 428 H -0.14 0.16 -0.15 -0.55 8.46 7.79 3n9mC1 SER 428 HA -0.05 0.17 0.34 -0.75 4.49 4.20 3n9mC1 SER 428 HB2 -0.05 0.10 0.09 -0.04 3.95 4.05 3n9mC1 SER 428 HB3 -0.14 -0.08 0.08 -0.04 3.93 3.75 3n9mC1 ASP 429 H 0.04 0.02 -0.54 -0.55 8.40 7.37 3n9mC1 ASP 429 HA 0.03 0.28 0.82 -0.75 4.63 5.00 3n9mC1 ASP 429 HB2 0.02 0.01 0.13 -0.04 2.71 2.82 3n9mC1 ASP 429 HB3 0.00 0.04 -0.08 -0.04 2.70 2.62 3n9mC1 ASN 430 H 0.11 0.45 -0.27 -0.55 8.53 8.27 3n9mC1 ASN 430 HA 0.04 0.18 0.94 -0.75 4.76 5.16 3n9mC1 ASN 430 HB2 0.04 0.06 0.06 -0.04 2.88 3.00 3n9mC1 ASN 430 HB3 0.10 0.06 0.22 -0.04 2.79 3.13 3n9mC1 ASN 430 HD21 -0.02 0.19 -0.02 -0.04 7.03 7.13 3n9mC1 ASN 430 HD22 -0.01 0.05 0.04 -0.04 7.74 7.78 3n9mC1 ASN 431 H 0.03 0.25 0.02 -0.55 8.53 8.28 3n9mC1 ASN 431 HA 0.03 0.12 0.13 -0.75 4.76 4.29 3n9mC1 ASN 431 HB2 0.01 -0.04 0.06 -0.04 2.88 2.88 3n9mC1 ASN 431 HB3 0.01 0.05 0.00 -0.04 2.79 2.81 3n9mC1 ASN 431 HD21 0.02 0.03 0.03 -0.04 7.03 7.07 3n9mC1 ASN 431 HD22 0.01 -0.02 0.03 -0.04 7.74 7.73 3n9mC1 GLU 432 H 0.01 0.04 -0.27 -0.55 8.60 7.83 3n9mC1 GLU 432 HA -0.01 0.13 0.53 -0.75 4.29 4.19 3n9mC1 GLU 432 HB2 -0.00 0.01 0.05 -0.04 2.09 2.11 3n9mC1 GLU 432 HB3 -0.01 -0.02 0.05 -0.04 1.99 1.97 3n9mC1 GLU 432 HG2 -0.02 -0.00 -0.23 -0.04 2.34 2.05 3n9mC1 GLU 432 HG3 -0.01 0.02 0.01 -0.04 2.34 2.31 3n9mC1 MET 433 H -0.00 0.07 -0.08 -0.55 8.47 7.91 3n9mC1 MET 433 HA -0.16 0.01 0.43 -0.75 4.52 4.05 3n9mC1 MET 433 HB2 0.02 -0.01 0.18 -0.04 2.15 2.31 3n9mC1 MET 433 HB3 -0.18 0.08 -0.03 -0.04 2.03 1.86 3n9mC1 MET 433 HG2 -0.11 -0.06 -0.01 -0.04 2.63 2.42 3n9mC1 MET 433 HG3 -0.20 0.00 0.00 -0.04 2.56 2.32 3n9mC1 MET 433 HE3 0.09 -0.00 -0.03 -0.04 2.10 2.12 3n9mC1 LYS 434 H 0.11 0.67 -0.14 -0.55 8.42 8.51 3n9mC1 LYS 434 HA 0.31 0.06 0.15 -0.75 4.32 4.08 3n9mC1 LYS 434 HB2 0.08 -0.01 0.06 -0.04 1.87 1.97 3n9mC1 LYS 434 HB3 0.12 -0.02 -0.11 -0.04 1.79 1.74 3n9mC1 LYS 434 HG2 0.04 0.09 -0.18 -0.04 1.46 1.37 3n9mC1 LYS 434 HG3 0.04 -0.00 -0.32 -0.04 1.46 1.14 3n9mC1 LYS 434 HD2 0.04 0.23 -0.04 -0.04 1.69 1.88 3n9mC1 LYS 434 HD3 0.04 -0.16 -0.26 -0.04 1.68 1.26 3n9mC1 LYS 434 HE2 0.02 -0.05 -0.07 -0.04 2.99 2.85 3n9mC1 LYS 434 HE3 0.02 0.01 -0.07 -0.04 2.99 2.91 3n9mC1 GLU 435 H -0.00 0.17 -0.77 -0.55 8.60 7.46 3n9mC1 GLU 435 HA -0.02 0.14 0.70 -0.75 4.29 4.36 3n9mC1 GLU 435 HB2 -0.03 0.09 0.03 -0.04 2.09 2.14 3n9mC1 GLU 435 HB3 -0.04 -0.07 -0.00 -0.04 1.99 1.84 3n9mC1 GLU 435 HG2 0.00 0.15 -0.07 -0.04 2.34 2.38 3n9mC1 GLU 435 HG3 -0.01 -0.08 -0.02 -0.04 2.34 2.19 3n9mC1 ILE 436 H -0.10 0.26 -0.09 -0.55 8.25 7.77 3n9mC1 ILE 436 HA -0.18 -0.01 0.32 -0.75 4.18 3.56 3n9mC1 ILE 436 HB -0.31 0.12 0.21 -0.04 1.89 1.87 3n9mC1 ILE 436 HG12 -0.14 -0.05 -0.02 -0.04 1.49 1.25 3n9mC1 ILE 436 HG13 -0.11 0.25 0.05 -0.04 1.21 1.36 3n9mC1 ILE 436 HG23 -0.60 -0.03 -0.24 -0.04 0.93 0.02 3n9mC1 ILE 436 HD13 -0.05 -0.05 -0.06 -0.04 0.88 0.68 3n9mC1 ALA 437 H -0.19 0.36 -0.09 -0.55 8.40 7.93 3n9mC1 ALA 437 HA -0.29 0.47 0.98 -0.75 4.34 4.75 3n9mC1 ALA 437 HB3 -0.63 -0.05 -0.03 -0.04 1.41 0.66 3n9mC1 LYS 438 H -0.14 0.68 0.23 -0.55 8.42 8.64 3n9mC1 LYS 438 HA -0.01 0.19 0.84 -0.75 4.32 4.59 3n9mC1 LYS 438 HB2 -0.12 -0.17 0.01 -0.04 1.87 1.55 3n9mC1 LYS 438 HB3 -0.10 0.03 0.10 -0.04 1.79 1.78 3n9mC1 LYS 438 HG2 -0.01 0.21 -0.38 -0.04 1.46 1.24 3n9mC1 LYS 438 HG3 -0.07 0.02 -0.41 -0.04 1.46 0.95 3n9mC1 LYS 438 HD2 -0.04 -0.04 -0.00 -0.04 1.69 1.56 3n9mC1 LYS 438 HD3 -0.03 0.10 0.02 -0.04 1.68 1.73 3n9mC1 LYS 438 HE2 -0.07 0.02 -0.05 -0.04 2.99 2.85 3n9mC1 LYS 438 HE3 -0.08 -0.04 -0.02 -0.04 2.99 2.81 3n9mC1 PRO 439 HA -1.19 0.12 0.54 -0.51 4.44 3.39 3n9mC1 PRO 439 HB2 -0.45 -0.01 -0.11 -0.04 2.28 1.66 3n9mC1 PRO 439 HB3 -0.77 -0.01 0.01 -0.04 2.02 1.20 3n9mC1 PRO 439 HG2 -0.13 -0.01 -0.01 -0.04 2.03 1.84 3n9mC1 PRO 439 HG3 -0.01 0.20 -0.01 -0.04 2.03 2.17 3n9mC1 PRO 439 HD2 -0.14 0.08 0.16 -0.04 3.68 3.74 3n9mC1 PRO 439 HD3 -0.06 0.19 0.17 -0.04 3.65 3.90 3n9mC1 PRO 440 HA -0.24 0.18 0.26 -0.51 4.44 4.12 3n9mC1 PRO 440 HB2 -0.47 -0.21 -0.02 -0.04 2.28 1.53 3n9mC1 PRO 440 HB3 -0.07 0.12 0.07 -0.04 2.02 2.10 3n9mC1 PRO 440 HG2 -0.31 0.02 0.02 -0.04 2.03 1.72 3n9mC1 PRO 440 HG3 -0.26 0.06 0.01 -0.04 2.03 1.79 3n9mC1 PRO 440 HD2 -1.06 0.06 0.14 -0.04 3.68 2.78 3n9mC1 PRO 440 HD3 -0.98 0.23 0.14 -0.04 3.65 3.00 3n9mC1 ARG 441 H -0.13 0.47 0.28 -0.55 8.46 8.52 3n9mC1 ARG 441 HA -0.14 0.12 0.41 -0.75 4.34 3.97 3n9mC1 ARG 441 HB2 -0.08 0.10 0.21 -0.04 1.90 2.09 3n9mC1 ARG 441 HB3 -0.05 -0.02 0.19 -0.04 1.80 1.89 3n9mC1 ARG 441 HG2 -0.02 -0.02 -0.05 -0.04 1.67 1.53 3n9mC1 ARG 441 HG3 -0.03 -0.06 -0.32 -0.04 1.67 1.21 3n9mC1 ARG 441 HD2 -0.04 -0.01 0.01 -0.04 3.22 3.15 3n9mC1 ARG 441 HD3 -0.03 -0.00 -0.02 -0.04 3.22 3.13 3n9mC1 PHE 442 H 0.12 0.15 -0.22 -0.55 8.34 7.84 3n9mC1 PHE 442 HA -0.10 0.07 0.30 -0.75 4.62 4.13 3n9mC1 PHE 442 HB2 -0.13 -0.01 0.04 -0.04 3.15 3.01 3n9mC1 PHE 442 HB3 -0.15 0.02 0.05 -0.04 3.06 2.94 3n9mC1 PHE 442 HD2 -0.21 -0.02 -0.12 -0.04 7.28 6.90 3n9mC1 PHE 442 HE2 -0.61 0.01 -0.12 -0.04 7.38 6.62 3n9mC1 PHE 442 HZ -0.58 0.04 -0.13 -0.04 7.32 6.61 3n9mC1 VAL 443 H -0.87 0.31 -0.44 -0.55 8.24 6.69 3n9mC1 VAL 443 HA -0.91 0.02 0.44 -0.75 4.13 2.92 3n9mC1 VAL 443 HB -0.80 0.22 -0.02 -0.04 2.12 1.48 3n9mC1 VAL 443 HG13 -1.15 -0.00 -0.22 -0.04 0.97 -0.45 3n9mC1 VAL 443 HG23 -1.23 -0.03 -0.09 -0.04 0.95 -0.44 3n9mC1 GLN 444 H -0.33 0.45 -0.15 -0.55 8.47 7.89 3n9mC1 GLN 444 HA -0.14 0.01 0.43 -0.75 4.36 3.91 3n9mC1 GLN 444 HB2 -0.11 0.08 0.08 -0.04 2.15 2.16 3n9mC1 GLN 444 HB3 -0.07 0.01 0.03 -0.04 2.02 1.95 3n9mC1 GLN 444 HG2 -0.15 -0.04 -0.01 -0.04 2.40 2.16 3n9mC1 GLN 444 HG3 -0.25 0.11 -0.09 -0.04 2.39 2.11 3n9mC1 GLN 444 HE21 -0.07 -0.02 -0.00 -0.04 6.97 6.83 3n9mC1 GLN 444 HE22 -0.06 -0.00 0.00 -0.04 7.69 7.59 3n9mC1 GLU 445 H -0.11 0.35 -0.28 -0.55 8.60 8.01 3n9mC1 GLU 445 HA 0.00 0.11 0.38 -0.75 4.29 4.03 3n9mC1 GLU 445 HB2 0.01 0.02 0.07 -0.04 2.09 2.15 3n9mC1 GLU 445 HB3 0.04 -0.06 -0.01 -0.04 1.99 1.92 3n9mC1 GLU 445 HG2 0.01 -0.00 -0.00 -0.04 2.34 2.30 3n9mC1 GLU 445 HG3 -0.02 0.05 -0.03 -0.04 2.34 2.29 3n9mC1 ILE 446 H -0.06 0.25 -0.40 -0.55 8.25 7.49 3n9mC1 ILE 446 HA 0.13 0.20 0.91 -0.75 4.18 4.67 3n9mC1 ILE 446 HB 0.25 -0.20 0.10 -0.04 1.89 2.01 3n9mC1 ILE 446 HG12 -0.09 0.37 0.12 -0.04 1.49 1.85 3n9mC1 ILE 446 HG13 0.05 0.06 -0.25 -0.04 1.21 1.03 3n9mC1 ILE 446 HG23 0.17 -0.00 -0.10 -0.04 0.93 0.96 3n9mC1 ILE 446 HD13 0.12 -0.06 -0.10 -0.04 0.88 0.80 3n9mC1 SER 447 H -0.01 0.36 -0.15 -0.55 8.46 8.12 3n9mC1 SER 447 HA 0.27 0.11 0.56 -0.75 4.49 4.68 3n9mC1 SER 447 HB2 -0.02 0.06 0.07 -0.04 3.95 4.03 3n9mC1 SER 447 HB3 0.01 0.16 0.20 -0.04 3.93 4.26 3n9mC1 MET 448 H 0.18 0.83 0.46 -0.55 8.47 9.39 3n9mC1 MET 448 HA 0.19 0.09 0.36 -0.75 4.52 4.41 3n9mC1 MET 448 HB2 -0.03 -0.07 0.10 -0.04 2.15 2.11 3n9mC1 MET 448 HB3 -0.15 0.02 -0.01 -0.04 2.03 1.85 3n9mC1 MET 448 HG2 -0.48 -0.01 -0.01 -0.04 2.63 2.09 3n9mC1 MET 448 HG3 -0.03 0.18 0.01 -0.04 2.56 2.68 3n9mC1 MET 448 HE3 -0.88 0.01 -0.08 -0.04 2.10 1.11 3n9mC1 VAL 449 H 0.23 0.05 -0.02 -0.55 8.24 7.95 3n9mC1 VAL 449 HA 0.50 0.09 0.44 -0.75 4.13 4.40 3n9mC1 VAL 449 HB 0.24 -0.04 0.09 -0.04 2.12 2.36 3n9mC1 VAL 449 HG13 0.11 0.06 -0.05 -0.04 0.97 1.04 3n9mC1 VAL 449 HG23 0.32 -0.01 0.08 -0.04 0.95 1.30 3n9mC1 ASN 450 H 0.19 0.03 -0.38 -0.55 8.53 7.83 3n9mC1 ASN 450 HA 0.17 0.17 0.34 -0.75 4.76 4.69 3n9mC1 ASN 450 HB2 0.08 -0.14 0.08 -0.04 2.88 2.86 3n9mC1 ASN 450 HB3 0.08 0.22 0.07 -0.04 2.79 3.12 3n9mC1 ASN 450 HD21 -0.00 -0.09 -0.01 -0.04 7.03 6.88 3n9mC1 ASN 450 HD22 -0.01 0.38 0.20 -0.04 7.74 8.27 3n9mC1 ARG 451 H 0.19 0.24 -0.38 -0.55 8.46 7.96 3n9mC1 ARG 451 HA 0.09 0.07 0.41 -0.75 4.34 4.16 3n9mC1 ARG 451 HB2 0.18 0.03 -0.02 -0.04 1.90 2.04 3n9mC1 ARG 451 HB3 0.29 0.06 0.12 -0.04 1.80 2.23 3n9mC1 ARG 451 HG2 0.15 -0.11 -0.05 -0.04 1.67 1.62 3n9mC1 ARG 451 HG3 0.00 0.00 -0.23 -0.04 1.67 1.40 3n9mC1 ARG 451 HD2 0.03 0.07 0.11 -0.04 3.22 3.38 3n9mC1 ARG 451 HD3 0.06 0.01 -0.00 -0.04 3.22 3.24 3n9mC1 LEU 452 H 0.22 0.31 -0.19 -0.55 8.37 8.16 3n9mC1 LEU 452 HA -0.13 0.09 0.49 -0.75 4.35 4.05 3n9mC1 LEU 452 HB2 0.16 0.03 0.06 -0.04 1.64 1.84 3n9mC1 LEU 452 HB3 -0.71 -0.04 -0.08 -0.04 1.64 0.76 3n9mC1 LEU 452 HG 0.15 -0.01 -0.09 -0.04 1.64 1.64 3n9mC1 LEU 452 HD13 0.24 -0.04 -0.05 -0.04 0.93 1.03 3n9mC1 LEU 452 HD23 -0.17 -0.01 -0.20 -0.04 0.89 0.46 3n9mC1 TRP 453 H 0.39 0.51 -0.21 -0.55 7.97 8.11 3n9mC1 TRP 453 HA 0.05 0.15 0.67 -0.75 4.62 4.74 3n9mC1 TRP 453 HB2 0.06 0.11 0.14 -0.04 3.23 3.51 3n9mC1 TRP 453 HB3 0.05 -0.05 0.13 -0.04 3.23 3.31 3n9mC1 TRP 453 HD1 0.03 -0.00 -0.12 -0.04 7.22 7.09 3n9mC1 TRP 453 HE1 0.02 0.25 -0.48 -0.04 10.20 9.95 3n9mC1 TRP 453 HE3 0.10 0.12 0.03 -0.04 7.59 7.79 3n9mC1 TRP 453 HZ2 0.06 -0.03 -0.29 -0.04 7.44 7.13 3n9mC1 TRP 453 HZ3 0.11 -0.08 -0.03 -0.04 7.13 7.08 3n9mC1 TRP 453 HH2 0.10 -0.06 -0.12 -0.04 7.19 7.07 3n9mC1 PRO 454 HA 0.10 0.18 0.32 -0.51 4.44 4.53 3n9mC1 PRO 454 HB2 0.05 -0.06 0.06 -0.04 2.28 2.29 3n9mC1 PRO 454 HB3 0.05 -0.00 0.06 -0.04 2.02 2.09 3n9mC1 PRO 454 HG2 0.02 -0.04 0.01 -0.04 2.03 1.98 3n9mC1 PRO 454 HG3 0.05 0.22 -0.07 -0.04 2.03 2.18 3n9mC1 PRO 454 HD2 0.03 0.07 0.04 -0.04 3.68 3.78 3n9mC1 PRO 454 HD3 0.01 0.09 -1.06 -0.04 3.65 2.65 3n9mC1 TYR 470 HA -0.12 -0.04 0.19 -0.75 4.56 3.84 3n9mC1 TYR 470 HB2 -0.06 0.03 0.19 -0.04 3.06 3.17 3n9mC1 TYR 470 HB3 -0.05 -0.04 0.09 -0.04 2.98 2.94 3n9mC1 TYR 470 HD2 -0.02 0.02 -0.01 -0.04 7.15 7.09 3n9mC1 TYR 470 HE2 0.00 -0.01 -0.04 -0.04 6.85 6.76 3n9mC1 LEU 471 H -0.15 0.14 0.49 -0.55 8.37 8.30 3n9mC1 LEU 471 HA -0.16 0.44 0.35 -0.75 4.35 4.22 3n9mC1 LEU 471 HB2 -1.03 0.07 -0.11 -0.04 1.64 0.53 3n9mC1 LEU 471 HB3 -0.15 0.01 -0.05 -0.04 1.64 1.41 3n9mC1 LEU 471 HG -0.30 -0.03 -0.02 -0.04 1.64 1.26 3n9mC1 LEU 471 HD13 -0.75 0.01 -0.09 -0.04 0.93 0.06 3n9mC1 LEU 471 HD23 -0.08 0.02 0.04 -0.04 0.89 0.83 3n9mC1 PRO 472 HA 0.04 0.02 0.40 -0.51 4.44 4.39 3n9mC1 PRO 472 HB2 0.14 -0.03 0.00 -0.04 2.28 2.35 3n9mC1 PRO 472 HB3 0.05 0.01 0.07 -0.04 2.02 2.10 3n9mC1 PRO 472 HG2 0.06 0.04 0.06 -0.04 2.03 2.15 3n9mC1 PRO 472 HG3 -0.02 0.06 0.08 -0.04 2.03 2.11 3n9mC1 PRO 472 HD2 0.12 0.08 0.12 -0.04 3.68 3.96 3n9mC1 PRO 472 HD3 -0.05 0.26 0.18 -0.04 3.65 4.01 3n9mC1 GLU 473 H 0.10 0.14 0.23 -0.55 8.60 8.52 3n9mC1 GLU 473 HA 0.16 0.17 0.43 -0.75 4.29 4.29 3n9mC1 GLU 473 HB2 0.09 0.07 0.17 -0.04 2.09 2.39 3n9mC1 GLU 473 HB3 0.04 -0.05 0.13 -0.04 1.99 2.07 3n9mC1 GLU 473 HG2 0.02 -0.00 0.01 -0.04 2.34 2.32 3n9mC1 GLU 473 HG3 -0.02 -0.01 -0.14 -0.04 2.34 2.14 3n9mC1 ASP 474 H 0.05 0.05 -0.19 -0.55 8.40 7.75 3n9mC1 ASP 474 HA -0.03 0.13 0.42 -0.75 4.63 4.40 3n9mC1 ASP 474 HB2 -0.01 0.04 0.14 -0.04 2.71 2.84 3n9mC1 ASP 474 HB3 0.00 -0.03 0.08 -0.04 2.70 2.71 3n9mC1 GLN 475 H 0.05 0.29 -0.86 -0.55 8.47 7.41 3n9mC1 GLN 475 HA 0.01 0.17 0.82 -0.75 4.36 4.60 3n9mC1 GLN 475 HB2 0.40 0.20 -0.05 -0.04 2.15 2.66 3n9mC1 GLN 475 HB3 0.29 -0.07 0.03 -0.04 2.02 2.22 3n9mC1 GLN 475 HG2 0.10 0.02 -0.08 -0.04 2.40 2.40 3n9mC1 GLN 475 HG3 0.10 -0.12 -0.34 -0.04 2.39 1.98 3n9mC1 GLN 475 HE21 0.07 0.01 -0.00 -0.04 6.97 7.00 3n9mC1 GLN 475 HE22 0.06 -0.02 -0.05 -0.04 7.69 7.64 3n9mC1 ARG 476 H -0.39 0.30 -0.06 -0.55 8.46 7.75 3n9mC1 ARG 476 HA -1.96 0.08 0.55 -0.75 4.34 2.26 3n9mC1 ARG 476 HB2 -1.86 -0.00 0.07 -0.04 1.90 0.07 3n9mC1 ARG 476 HB3 -0.56 0.05 0.13 -0.04 1.80 1.38 3n9mC1 ARG 476 HG2 -0.42 0.06 -0.41 -0.04 1.67 0.85 3n9mC1 ARG 476 HG3 -0.80 -0.02 0.01 -0.04 1.67 0.81 3n9mC1 ARG 476 HD2 -0.07 0.01 -0.03 -0.04 3.22 3.08 3n9mC1 ARG 476 HD3 -0.18 0.03 0.01 -0.04 3.22 3.03 3n9mC1 PRO 477 HA -0.18 0.13 0.55 -0.51 4.44 4.43 3n9mC1 PRO 477 HB2 -0.06 -0.13 0.10 -0.04 2.28 2.15 3n9mC1 PRO 477 HB3 -0.35 0.04 0.04 -0.04 2.02 1.70 3n9mC1 PRO 477 HG2 0.27 -0.09 0.06 -0.04 2.03 2.22 3n9mC1 PRO 477 HG3 0.05 0.25 0.02 -0.04 2.03 2.31 3n9mC1 PRO 477 HD2 -0.55 -0.01 0.22 -0.04 3.68 3.31 3n9mC1 PRO 477 HD3 -0.62 0.36 0.30 -0.04 3.65 3.65 3n9mC1 LYS 478 H -0.12 0.72 0.26 -0.55 8.42 8.73 3n9mC1 LYS 478 HA -0.09 0.07 0.67 -0.75 4.32 4.22 3n9mC1 LYS 478 HB2 -0.09 0.17 0.06 -0.04 1.87 1.98 3n9mC1 LYS 478 HB3 -0.07 -0.16 0.13 -0.04 1.79 1.66 3n9mC1 LYS 478 HG2 -0.07 -0.09 -0.06 -0.04 1.46 1.20 3n9mC1 LYS 478 HG3 -0.12 0.19 -0.11 -0.04 1.46 1.39 3n9mC1 LYS 478 HD2 -0.05 -0.00 -0.06 -0.04 1.69 1.53 3n9mC1 LYS 478 HD3 -0.07 0.06 -0.06 -0.04 1.68 1.58 3n9mC1 LYS 478 HE2 -0.03 0.00 -0.03 -0.04 2.99 2.89 3n9mC1 LYS 478 HE3 -0.05 -0.04 -0.02 -0.04 2.99 2.83 3n9mC1 VAL 479 H 0.01 0.28 0.08 -0.55 8.24 8.06 3n9mC1 VAL 479 HA 0.10 0.15 0.91 -0.75 4.13 4.54 3n9mC1 VAL 479 HB 0.38 -0.05 0.09 -0.04 2.12 2.51 3n9mC1 VAL 479 HG13 -0.04 -0.02 -0.35 -0.04 0.97 0.52 3n9mC1 VAL 479 HG23 0.15 0.10 -0.17 -0.04 0.95 0.99 3n9mC1 GLU 480 H 0.04 0.08 0.15 -0.55 8.60 8.33 3n9mC1 GLU 480 HA 0.19 0.12 0.68 -0.75 4.29 4.53 3n9mC1 GLU 480 HB2 0.14 -0.01 0.11 -0.04 2.09 2.28 3n9mC1 GLU 480 HB3 0.05 0.05 0.05 -0.04 1.99 2.10 3n9mC1 GLU 480 HG2 0.13 0.03 0.02 -0.04 2.34 2.47 3n9mC1 GLU 480 HG3 0.26 0.01 -0.08 -0.04 2.34 2.50 3n9mC1 GLN 481 H -0.09 -0.02 -0.19 -0.55 8.47 7.62 3n9mC1 GLN 481 HA -0.22 0.39 0.94 -0.75 4.36 4.71 3n9mC1 GLN 481 HB2 -0.44 -0.20 0.06 -0.04 2.15 1.53 3n9mC1 GLN 481 HB3 -1.35 0.02 -0.03 -0.04 2.02 0.61 3n9mC1 GLN 481 HG2 -0.01 0.16 -0.01 -0.04 2.40 2.49 3n9mC1 GLN 481 HG3 -0.05 -0.08 -0.38 -0.04 2.39 1.84 3n9mC1 GLN 481 HE21 0.11 0.18 0.05 -0.04 6.97 7.28 3n9mC1 GLN 481 HE22 0.17 0.77 0.27 -0.04 7.69 8.87 3n9mC1 PHE 482 H -0.54 0.90 0.25 -0.55 8.34 8.39 3n9mC1 PHE 482 HA -0.08 0.17 1.10 -0.75 4.62 5.05 3n9mC1 PHE 482 HB2 0.02 0.23 -0.16 -0.04 3.15 3.19 3n9mC1 PHE 482 HB3 -0.04 -0.14 -0.27 -0.04 3.06 2.56 3n9mC1 PHE 482 HD2 0.01 0.04 -0.47 -0.04 7.28 6.82 3n9mC1 PHE 482 HE2 -0.00 -0.02 -0.28 -0.04 7.38 7.03 3n9mC1 PHE 482 HZ 0.17 0.02 -0.18 -0.04 7.32 7.29 3n9mC1 CYS 483 H 0.36 0.69 0.36 -0.55 8.50 9.36 3n9mC1 CYS 483 HA -0.17 0.27 1.13 -0.75 4.58 5.06 3n9mC1 CYS 483 HB2 -0.01 -0.03 -0.00 -0.04 2.97 2.88 3n9mC1 CYS 483 HB3 0.14 0.00 0.17 -0.04 2.97 3.24 3n9mC1 LEU 484 H -0.12 0.72 0.31 -0.55 8.37 8.73 3n9mC1 LEU 484 HA -0.03 0.23 0.90 -0.75 4.35 4.70 3n9mC1 LEU 484 HB2 0.05 -0.04 -0.02 -0.04 1.64 1.58 3n9mC1 LEU 484 HB3 -0.03 -0.06 -0.14 -0.04 1.64 1.37 3n9mC1 LEU 484 HG -0.01 0.05 -0.11 -0.04 1.64 1.52 3n9mC1 LEU 484 HD13 -0.03 0.05 -0.22 -0.04 0.93 0.68 3n9mC1 LEU 484 HD23 0.29 -0.03 -0.20 -0.04 0.89 0.92 3n9mC1 ALA 485 H -1.57 0.15 0.16 -0.55 8.40 6.60 3n9mC1 ALA 485 HA -0.26 0.37 1.13 -0.75 4.34 4.82 3n9mC1 ALA 485 HB3 -0.72 -0.02 0.08 -0.04 1.41 0.71 3n9mC1 GLY 486 H 0.07 0.63 0.33 -0.55 8.43 8.91 3n9mC1 GLY 486 HA2 0.09 0.13 1.03 -0.51 4.01 4.75 3n9mC1 GLY 486 HA3 0.05 0.05 0.20 -0.51 4.01 3.80 3n9mC1 MET 487 H 0.09 0.12 0.04 -0.55 8.47 8.16 3n9mC1 MET 487 HA -0.08 0.08 0.76 -0.75 4.52 4.52 3n9mC1 MET 487 HB2 -0.05 -0.13 0.01 -0.04 2.15 1.94 3n9mC1 MET 487 HB3 -0.12 0.18 0.01 -0.04 2.03 2.06 3n9mC1 MET 487 HG2 -0.24 0.04 -0.00 -0.04 2.63 2.39 3n9mC1 MET 487 HG3 0.08 0.29 0.08 -0.04 2.56 2.97 3n9mC1 MET 487 HE3 -0.14 0.03 -0.16 -0.04 2.10 1.79 3n9mC1 ALA 488 H -0.10 0.06 0.08 -0.55 8.40 7.90 3n9mC1 ALA 488 HA 0.02 0.18 0.05 -0.75 4.34 3.84 3n9mC1 ALA 488 HB3 -0.03 -0.02 0.17 -0.04 1.41 1.49 3n9mC1 GLY 489 H 0.06 0.77 0.37 -0.55 8.43 9.09 3n9mC1 GLY 489 HA2 0.09 -0.03 0.26 -0.51 4.01 3.83 3n9mC1 GLY 489 HA3 0.07 0.14 0.79 -0.51 4.01 4.49 3n9mC1 SER 490 H 0.06 0.38 0.16 -0.55 8.46 8.52 3n9mC1 SER 490 HA 0.06 0.06 0.41 -0.75 4.49 4.27 3n9mC1 SER 490 HB2 0.05 0.04 0.06 -0.04 3.95 4.06 3n9mC1 SER 490 HB3 0.03 -0.03 -0.05 -0.04 3.93 3.83 3n9mC1 TYR 491 H 0.14 0.20 0.16 -0.55 8.29 8.24 3n9mC1 TYR 491 HA 0.07 0.26 0.80 -0.75 4.56 4.94 3n9mC1 TYR 491 HB2 0.16 0.06 -0.10 -0.04 3.06 3.14 3n9mC1 TYR 491 HB3 0.09 0.04 0.05 -0.04 2.98 3.12 3n9mC1 TYR 491 HD2 0.02 -0.01 -0.17 -0.04 7.15 6.95 3n9mC1 TYR 491 HE2 -0.09 -0.08 -0.18 -0.04 6.85 6.46 3n9mC1 THR 492 H -0.51 0.67 0.26 -0.55 8.28 8.16 3n9mC1 THR 492 HA -0.25 0.13 0.89 -0.75 4.39 4.40 3n9mC1 THR 492 HB -0.23 -0.06 0.12 -0.04 4.32 4.11 3n9mC1 THR 492 HG23 -0.15 0.02 -0.20 -0.04 1.22 0.85 3n9mC1 ASP 493 H -0.19 0.13 0.05 -0.55 8.40 7.84 3n9mC1 ASP 493 HA -0.21 0.02 0.35 -0.75 4.63 4.04 3n9mC1 ASP 493 HB2 0.09 0.00 0.04 -0.04 2.71 2.81 3n9mC1 ASP 493 HB3 0.06 0.10 -0.03 -0.04 2.70 2.79 3n9mC1 PHE 494 H 0.18 -0.01 0.09 -0.55 8.34 8.05 3n9mC1 PHE 494 HA -0.11 0.24 0.01 -0.75 4.62 4.01 3n9mC1 PHE 494 HB2 -0.16 -0.03 0.02 -0.04 3.15 2.95 3n9mC1 PHE 494 HB3 -0.27 0.02 -0.14 -0.04 3.06 2.63 3n9mC1 PHE 494 HD2 -0.07 -0.01 -0.14 -0.04 7.28 7.03 3n9mC1 PHE 494 HE2 -0.61 0.02 -0.15 -0.04 7.38 6.60 3n9mC1 PHE 494 HZ -0.32 0.02 -0.11 -0.04 7.32 6.86 3n9mC1 HIS 495 H -0.47 0.38 0.32 -0.55 8.41 8.09 3n9mC1 HIS 495 HA 0.03 0.06 0.45 -0.75 4.63 4.42 3n9mC1 HIS 495 HB2 -0.06 -0.05 -0.01 -0.04 3.26 3.11 3n9mC1 HIS 495 HB3 -0.05 0.14 -0.11 -0.04 3.20 3.14 3n9mC1 HIS 495 HD2 -0.10 -0.09 -0.36 -0.04 6.97 6.37 3n9mC1 HIS 495 HE1 -0.14 -0.08 -0.17 -0.04 7.75 7.31 3n9mC1 VAL 496 H -0.06 0.19 0.09 -0.55 8.24 7.90 3n9mC1 VAL 496 HA -0.20 0.35 0.85 -0.75 4.13 4.37 3n9mC1 VAL 496 HB -0.15 -0.07 0.05 -0.04 2.12 1.90 3n9mC1 VAL 496 HG13 -0.10 0.04 -0.17 -0.04 0.97 0.70 3n9mC1 VAL 496 HG23 -0.65 0.01 -0.17 -0.04 0.95 0.10 3n9mC1 ASP 497 H 0.06 0.24 -0.01 -0.55 8.40 8.15 3n9mC1 ASP 497 HA 0.06 0.00 0.23 -0.75 4.63 4.17 3n9mC1 ASP 497 HB2 0.01 0.13 0.03 -0.04 2.71 2.83 3n9mC1 ASP 497 HB3 -0.26 0.01 -0.11 -0.04 2.70 2.29 3n9mC1 PHE 498 H -0.15 0.12 0.12 -0.55 8.34 7.88 3n9mC1 PHE 498 HA 0.12 0.07 0.36 -0.75 4.62 4.41 3n9mC1 PHE 498 HB2 0.13 -0.24 0.01 -0.04 3.15 3.01 3n9mC1 PHE 498 HB3 0.02 0.29 0.17 -0.04 3.06 3.50 3n9mC1 PHE 498 HD2 0.29 0.01 -0.11 -0.04 7.28 7.44 3n9mC1 PHE 498 HE2 0.07 0.03 -0.10 -0.04 7.38 7.34 3n9mC1 PHE 498 HZ 0.12 0.03 -0.05 -0.04 7.32 7.37 3n9mC1 GLY 499 H 0.22 0.16 0.17 -0.55 8.43 8.43 3n9mC1 GLY 499 HA2 -0.16 0.02 0.33 -0.51 4.01 3.69 3n9mC1 GLY 499 HA3 0.22 0.06 0.38 -0.51 4.01 4.16 3n9mC1 GLY 500 H 0.05 0.38 -0.37 -0.55 8.43 7.94 3n9mC1 GLY 500 HA2 0.00 0.03 0.24 -0.51 4.01 3.78 3n9mC1 GLY 500 HA3 0.01 0.02 0.56 -0.51 4.01 4.10 3n9mC1 SER 501 H 0.01 0.37 -0.40 -0.55 8.46 7.89 3n9mC1 SER 501 HA -0.05 0.02 0.30 -0.75 4.49 4.00 3n9mC1 SER 501 HB2 0.05 -0.07 -0.05 -0.04 3.95 3.83 3n9mC1 SER 501 HB3 0.21 -0.04 -0.11 -0.04 3.93 3.95 3n9mC1 SER 502 H -0.38 0.49 0.34 -0.55 8.46 8.36 3n9mC1 SER 502 HA -0.23 0.30 0.66 -0.75 4.49 4.46 3n9mC1 SER 502 HB2 -1.44 -0.07 0.06 -0.04 3.95 2.45 3n9mC1 SER 502 HB3 -0.41 0.07 0.05 -0.04 3.93 3.60 3n9mC1 VAL 503 H -0.00 0.66 0.34 -0.55 8.24 8.68 3n9mC1 VAL 503 HA 0.19 0.43 1.15 -0.75 4.13 5.14 3n9mC1 VAL 503 HB 0.06 -0.09 -0.02 -0.04 2.12 2.03 3n9mC1 VAL 503 HG13 0.25 0.00 -0.20 -0.04 0.97 0.98 3n9mC1 VAL 503 HG23 0.06 0.02 -0.28 -0.04 0.95 0.71 3n9mC1 TYR 504 H 0.16 0.45 0.34 -0.55 8.29 8.69 3n9mC1 TYR 504 HA 0.17 0.33 0.90 -0.75 4.56 5.20 3n9mC1 TYR 504 HB2 0.02 -0.02 0.09 -0.04 3.06 3.11 3n9mC1 TYR 504 HB3 0.09 -0.04 0.08 -0.04 2.98 3.06 3n9mC1 TYR 504 HD2 0.04 0.00 -0.14 -0.04 7.15 7.02 3n9mC1 TYR 504 HE2 -0.06 0.08 -0.20 -0.04 6.85 6.63 3n9mC1 TYR 505 H 0.25 0.42 0.21 -0.55 8.29 8.62 3n9mC1 TYR 505 HA -0.01 0.16 0.86 -0.75 4.56 4.82 3n9mC1 TYR 505 HB2 0.03 -0.01 -0.36 -0.04 3.06 2.67 3n9mC1 TYR 505 HB3 -0.05 -0.09 0.09 -0.04 2.98 2.89 3n9mC1 TYR 505 HD2 0.16 -0.01 -0.24 -0.04 7.15 7.03 3n9mC1 TYR 505 HE2 0.28 0.00 -0.23 -0.04 6.85 6.87 3n9mC1 HIS 506 H -0.00 0.83 0.31 -0.55 8.41 9.01 3n9mC1 HIS 506 HA 0.06 0.25 1.17 -0.75 4.63 5.34 3n9mC1 HIS 506 HB2 0.08 -0.06 -0.08 -0.04 3.26 3.15 3n9mC1 HIS 506 HB3 0.08 0.05 0.13 -0.04 3.20 3.42 3n9mC1 HIS 506 HD2 0.06 -0.08 -0.24 -0.04 6.97 6.66 3n9mC1 HIS 506 HE1 -0.00 0.11 -0.10 -0.04 7.75 7.72 3n9mC1 ILE 507 H -0.37 0.67 0.18 -0.55 8.25 8.19 3n9mC1 ILE 507 HA -0.10 0.10 0.65 -0.75 4.18 4.08 3n9mC1 ILE 507 HB -0.11 -0.01 0.14 -0.04 1.89 1.86 3n9mC1 ILE 507 HG12 0.03 0.07 -0.09 -0.04 1.49 1.46 3n9mC1 ILE 507 HG13 0.06 0.05 -0.27 -0.04 1.21 1.01 3n9mC1 ILE 507 HG23 0.02 -0.01 -0.54 -0.04 0.93 0.35 3n9mC1 ILE 507 HD13 0.22 -0.02 -0.29 -0.04 0.88 0.74 3n9mC1 LEU 508 H 0.01 0.42 0.40 -0.55 8.37 8.64 3n9mC1 LEU 508 HA 0.06 0.06 0.56 -0.75 4.35 4.28 3n9mC1 LEU 508 HB2 0.30 -0.01 0.03 -0.04 1.64 1.92 3n9mC1 LEU 508 HB3 0.18 -0.01 0.06 -0.04 1.64 1.83 3n9mC1 LEU 508 HG 0.24 0.04 -0.12 -0.04 1.64 1.75 3n9mC1 LEU 508 HD13 0.13 0.00 -0.02 -0.04 0.93 1.01 3n9mC1 LEU 508 HD23 0.29 -0.02 -0.14 -0.04 0.89 0.98 3n9mC1 LYS 509 H 0.05 0.47 0.30 -0.55 8.42 8.69 3n9mC1 LYS 509 HA 0.06 0.15 0.78 -0.75 4.32 4.55 3n9mC1 LYS 509 HB2 0.08 -0.11 0.10 -0.04 1.87 1.90 3n9mC1 LYS 509 HB3 0.08 0.06 0.03 -0.04 1.79 1.93 3n9mC1 LYS 509 HG2 0.08 0.09 0.08 -0.04 1.46 1.67 3n9mC1 LYS 509 HG3 0.12 0.06 -0.16 -0.04 1.46 1.44 3n9mC1 LYS 509 HD2 0.08 -0.12 -0.02 -0.04 1.69 1.58 3n9mC1 LYS 509 HD3 0.08 0.01 0.00 -0.04 1.68 1.73 3n9mC1 LYS 509 HE2 0.07 -0.06 0.01 -0.04 2.99 2.97 3n9mC1 LYS 509 HE3 0.08 0.20 -0.29 -0.04 2.99 2.94 3n9mC1 GLY 510 H 0.05 0.11 0.17 -0.55 8.43 8.21 3n9mC1 GLY 510 HA2 0.06 0.03 0.30 -0.51 4.01 3.89 3n9mC1 GLY 510 HA3 0.07 0.19 0.62 -0.51 4.01 4.38 3n9mC1 GLU 511 H 0.08 0.36 0.12 -0.55 8.60 8.60 3n9mC1 GLU 511 HA 0.07 0.21 0.63 -0.75 4.29 4.45 3n9mC1 GLU 511 HB2 0.05 0.03 -0.08 -0.04 2.09 2.05 3n9mC1 GLU 511 HB3 0.05 -0.12 -0.12 -0.04 1.99 1.76 3n9mC1 GLU 511 HG2 0.07 -0.02 -0.32 -0.04 2.34 2.02 3n9mC1 GLU 511 HG3 0.06 0.16 -0.06 -0.04 2.34 2.45 3n9mC1 LYS 512 H 0.12 0.68 0.32 -0.55 8.42 8.99 3n9mC1 LYS 512 HA 0.12 0.29 0.97 -0.75 4.32 4.95 3n9mC1 LYS 512 HB2 0.35 -0.04 -0.06 -0.04 1.87 2.09 3n9mC1 LYS 512 HB3 0.20 0.01 -0.08 -0.04 1.79 1.88 3n9mC1 LYS 512 HG2 0.21 -0.10 -0.59 -0.04 1.46 0.94 3n9mC1 LYS 512 HG3 0.48 -0.02 -0.24 -0.04 1.46 1.64 3n9mC1 LYS 512 HD2 0.12 -0.02 -0.23 -0.04 1.69 1.52 3n9mC1 LYS 512 HD3 0.13 0.10 -0.10 -0.04 1.68 1.77 3n9mC1 LYS 512 HE2 0.14 -0.03 -0.24 -0.04 2.99 2.82 3n9mC1 LYS 512 HE3 0.32 -0.01 -0.25 -0.04 2.99 3.01 3n9mC1 ILE 513 H 0.09 0.66 0.31 -0.55 8.25 8.76 3n9mC1 ILE 513 HA 0.04 0.21 1.04 -0.75 4.18 4.71 3n9mC1 ILE 513 HB 0.05 -0.06 0.14 -0.04 1.89 1.98 3n9mC1 ILE 513 HG12 0.03 0.00 -0.12 -0.04 1.49 1.36 3n9mC1 ILE 513 HG13 0.07 -0.06 -0.30 -0.04 1.21 0.89 3n9mC1 ILE 513 HG23 -0.31 0.01 -0.24 -0.04 0.93 0.35 3n9mC1 ILE 513 HD13 0.09 -0.00 -0.11 -0.04 0.88 0.82 3n9mC1 PHE 514 H 0.14 0.71 0.28 -0.55 8.34 8.91 3n9mC1 PHE 514 HA -0.06 0.25 0.91 -0.75 4.62 4.97 3n9mC1 PHE 514 HB2 -0.11 0.02 0.06 -0.04 3.15 3.08 3n9mC1 PHE 514 HB3 -0.06 0.00 -0.16 -0.04 3.06 2.81 3n9mC1 PHE 514 HD2 -0.15 -0.03 -0.26 -0.04 7.28 6.80 3n9mC1 PHE 514 HE2 -0.40 -0.01 -0.23 -0.04 7.38 6.71 3n9mC1 PHE 514 HZ -1.28 -0.01 -0.22 -0.04 7.32 5.76 3n9mC1 TYR 515 H 0.20 0.66 0.29 -0.55 8.29 8.89 3n9mC1 TYR 515 HA 0.33 0.46 1.01 -0.75 4.56 5.60 3n9mC1 TYR 515 HB2 0.27 -0.16 0.14 -0.04 3.06 3.27 3n9mC1 TYR 515 HB3 0.62 0.02 -0.03 -0.04 2.98 3.54 3n9mC1 TYR 515 HD2 0.34 0.05 -0.22 -0.04 7.15 7.28 3n9mC1 TYR 515 HE2 0.28 0.03 -0.14 -0.04 6.85 6.98 3n9mC1 ILE 516 H 0.36 0.59 0.22 -0.55 8.25 8.87 3n9mC1 ILE 516 HA 0.46 0.42 1.09 -0.75 4.18 5.40 3n9mC1 ILE 516 HB 0.50 -0.00 -0.07 -0.04 1.89 2.28 3n9mC1 ILE 516 HG12 0.22 0.08 -0.12 -0.04 1.49 1.62 3n9mC1 ILE 516 HG13 0.38 -0.04 -0.25 -0.04 1.21 1.26 3n9mC1 ILE 516 HG23 0.23 -0.01 -0.34 -0.04 0.93 0.77 3n9mC1 ILE 516 HD13 -0.09 -0.01 -0.19 -0.04 0.88 0.54 3n9mC1 ALA 517 H 0.43 0.53 0.28 -0.55 8.40 9.10 3n9mC1 ALA 517 HA 0.18 0.24 0.84 -0.75 4.34 4.85 3n9mC1 ALA 517 HB3 0.11 -0.03 -0.12 -0.04 1.41 1.33 3n9mC1 ALA 518 H -0.17 0.16 0.16 -0.55 8.40 8.01 3n9mC1 ALA 518 HA -2.24 0.13 0.37 -0.75 4.34 1.85 3n9mC1 ALA 518 HB3 -0.42 0.00 0.09 -0.04 1.41 1.04 3n9mC1 PRO 519 HA -0.46 0.18 0.45 -0.51 4.44 4.10 3n9mC1 PRO 519 HB2 -0.39 -0.04 0.21 -0.04 2.28 2.02 3n9mC1 PRO 519 HB3 -0.17 0.04 0.04 -0.04 2.02 1.88 3n9mC1 PRO 519 HG2 -0.49 0.14 0.06 -0.04 2.03 1.70 3n9mC1 PRO 519 HG3 -0.97 -0.00 -0.21 -0.04 2.03 0.81 3n9mC1 PRO 519 HD2 -0.78 0.09 0.10 -0.04 3.68 3.05 3n9mC1 PRO 519 HD3 -2.50 0.09 0.20 -0.04 3.65 1.40 3n9mC1 THR 520 H -0.41 0.34 -0.31 -0.55 8.28 7.35 3n9mC1 THR 520 HA -0.36 0.21 0.69 -0.75 4.39 4.18 3n9mC1 THR 520 HB -0.17 -0.09 0.14 -0.04 4.32 4.15 3n9mC1 THR 520 HG23 -0.20 0.04 -0.06 -0.04 1.22 0.96 3n9mC1 GLU 521 H -0.21 0.19 0.15 -0.55 8.60 8.18 3n9mC1 GLU 521 HA -0.16 0.14 0.46 -0.75 4.29 3.97 3n9mC1 GLU 521 HB2 -0.09 -0.02 0.17 -0.04 2.09 2.11 3n9mC1 GLU 521 HB3 -0.03 0.04 -0.03 -0.04 1.99 1.92 3n9mC1 GLU 521 HG2 -0.01 0.03 0.06 -0.04 2.34 2.37 3n9mC1 GLU 521 HG3 -0.08 0.03 0.06 -0.04 2.34 2.31 3n9mC1 GLN 522 H -0.09 0.09 -0.10 -0.55 8.47 7.82 3n9mC1 GLN 522 HA 0.01 0.12 0.51 -0.75 4.36 4.25 3n9mC1 GLN 522 HB2 -0.03 0.02 0.08 -0.04 2.15 2.18 3n9mC1 GLN 522 HB3 -0.05 -0.02 0.07 -0.04 2.02 1.98 3n9mC1 GLN 522 HG2 -0.02 0.05 -0.04 -0.04 2.40 2.35 3n9mC1 GLN 522 HG3 -0.01 0.04 -0.23 -0.04 2.39 2.15 3n9mC1 GLN 522 HE21 0.02 0.03 -0.03 -0.04 6.97 6.95 3n9mC1 GLN 522 HE22 0.01 0.04 -0.08 -0.04 7.69 7.62 3n9mC1 ASN 523 H -0.07 0.04 -0.19 -0.55 8.53 7.76 3n9mC1 ASN 523 HA 0.09 0.06 0.37 -0.75 4.76 4.52 3n9mC1 ASN 523 HB2 -0.12 0.03 0.11 -0.04 2.88 2.86 3n9mC1 ASN 523 HB3 0.05 0.07 -0.02 -0.04 2.79 2.86 3n9mC1 ASN 523 HD21 -0.10 -0.03 0.04 -0.04 7.03 6.90 3n9mC1 ASN 523 HD22 -0.18 0.52 0.06 -0.04 7.74 8.10 3n9mC1 PHE 524 H 0.07 0.46 -0.35 -0.55 8.34 7.96 3n9mC1 PHE 524 HA 0.04 0.05 0.51 -0.75 4.62 4.47 3n9mC1 PHE 524 HB2 -0.01 0.09 0.14 -0.04 3.15 3.33 3n9mC1 PHE 524 HB3 0.02 -0.04 -0.04 -0.04 3.06 2.95 3n9mC1 PHE 524 HD2 -0.05 -0.06 -0.13 -0.04 7.28 7.00 3n9mC1 PHE 524 HE2 -0.11 0.09 -0.07 -0.04 7.38 7.24 3n9mC1 PHE 524 HZ -0.11 -0.02 0.02 -0.04 7.32 7.17 3n9mC1 ALA 525 H 0.15 0.55 -0.04 -0.55 8.40 8.51 3n9mC1 ALA 525 HA 0.08 -0.01 0.41 -0.75 4.34 4.06 3n9mC1 ALA 525 HB3 0.05 0.04 0.15 -0.04 1.41 1.61 3n9mC1 ALA 526 H 0.12 0.67 -0.11 -0.55 8.40 8.53 3n9mC1 ALA 526 HA 0.10 0.00 0.39 -0.75 4.34 4.08 3n9mC1 ALA 526 HB3 0.17 0.02 0.05 -0.04 1.41 1.61 3n9mC1 TYR 527 H 0.22 0.42 -0.38 -0.55 8.29 8.00 3n9mC1 TYR 527 HA -0.38 -0.02 0.38 -0.75 4.56 3.79 3n9mC1 TYR 527 HB2 -0.27 0.04 0.08 -0.04 3.06 2.87 3n9mC1 TYR 527 HB3 -0.10 0.10 0.22 -0.04 2.98 3.15 3n9mC1 TYR 527 HD2 -0.57 -0.01 -0.09 -0.04 7.15 6.44 3n9mC1 TYR 527 HE2 -0.16 0.04 -0.19 -0.04 6.85 6.49 3n9mC1 GLN 528 H 0.02 0.74 0.02 -0.55 8.47 8.70 3n9mC1 GLN 528 HA -0.28 -0.02 0.43 -0.75 4.36 3.74 3n9mC1 GLN 528 HB2 -0.04 -0.02 0.09 -0.04 2.15 2.13 3n9mC1 GLN 528 HB3 -0.02 0.12 0.12 -0.04 2.02 2.20 3n9mC1 GLN 528 HG2 -0.07 0.01 -0.22 -0.04 2.40 2.07 3n9mC1 GLN 528 HG3 -0.09 -0.04 0.01 -0.04 2.39 2.23 3n9mC1 GLN 528 HE21 -0.03 -0.02 -0.06 -0.04 6.97 6.82 3n9mC1 GLN 528 HE22 -0.05 0.03 -0.12 -0.04 7.69 7.51 3n9mC1 ALA 529 H -0.01 0.48 -0.28 -0.55 8.40 8.05 3n9mC1 ALA 529 HA -0.04 -0.01 0.39 -0.75 4.34 3.93 3n9mC1 ALA 529 HB3 0.03 0.03 0.09 -0.04 1.41 1.52 3n9mC1 HIS 530 H 0.07 0.56 -0.06 -0.55 8.41 8.43 3n9mC1 HIS 530 HA -0.02 -0.05 0.35 -0.75 4.63 4.16 3n9mC1 HIS 530 HB2 0.14 -0.02 0.11 -0.04 3.26 3.45 3n9mC1 HIS 530 HB3 -0.26 0.12 0.15 -0.04 3.20 3.17 3n9mC1 HIS 530 HD2 0.10 -0.04 -0.05 -0.04 6.97 6.94 3n9mC1 HIS 530 HE1 0.08 -0.04 -0.02 -0.04 7.75 7.73 3n9mC1 GLU 531 H -0.29 0.48 -0.25 -0.55 8.60 7.99 3n9mC1 GLU 531 HA -0.24 0.03 0.46 -0.75 4.29 3.79 3n9mC1 GLU 531 HB2 -0.36 0.04 0.18 -0.04 2.09 1.91 3n9mC1 GLU 531 HB3 -0.23 -0.06 -0.02 -0.04 1.99 1.64 3n9mC1 GLU 531 HG2 -1.04 0.10 -0.01 -0.04 2.34 1.35 3n9mC1 GLU 531 HG3 -0.84 -0.11 -0.05 -0.04 2.34 1.30 3n9mC1 THR 532 H -0.16 0.60 0.07 -0.55 8.28 8.24 3n9mC1 THR 532 HA -0.10 -0.01 0.34 -0.75 4.39 3.87 3n9mC1 THR 532 HB -0.07 -0.06 0.03 -0.04 4.32 4.19 3n9mC1 THR 532 HG23 -0.09 -0.02 0.06 -0.04 1.22 1.13 3n9mC1 SER 533 H -0.12 0.37 -0.44 -0.55 8.46 7.73 3n9mC1 SER 533 HA -0.06 -0.01 0.52 -0.75 4.49 4.19 3n9mC1 SER 533 HB2 -0.05 -0.06 0.08 -0.04 3.95 3.88 3n9mC1 SER 533 HB3 -0.11 0.20 0.10 -0.04 3.93 4.08 3n9mC1 PRO 534 HA -0.05 0.19 0.56 -0.51 4.44 4.63 3n9mC1 PRO 534 HB2 -0.03 -0.07 -0.03 -0.04 2.28 2.12 3n9mC1 PRO 534 HB3 -0.03 0.02 0.11 -0.04 2.02 2.08 3n9mC1 PRO 534 HG2 -0.03 -0.03 0.08 -0.04 2.03 2.02 3n9mC1 PRO 534 HG3 -0.04 0.12 0.09 -0.04 2.03 2.17 3n9mC1 PRO 534 HD2 -0.03 -0.02 0.22 -0.04 3.68 3.80 3n9mC1 PRO 534 HD3 -0.04 0.19 0.28 -0.04 3.65 4.04 3n9mC1 ASP 535 H -0.05 0.08 -0.15 -0.55 8.40 7.73 3n9mC1 ASP 535 HA -0.02 -0.02 0.49 -0.75 4.63 4.32 3n9mC1 ASP 535 HB2 -0.01 0.02 0.10 -0.04 2.71 2.78 3n9mC1 ASP 535 HB3 -0.03 0.10 0.09 -0.04 2.70 2.82 3n9mC1 THR 536 H -0.03 0.11 0.21 -0.55 8.28 8.02 3n9mC1 THR 536 HA -0.02 0.33 0.94 -0.75 4.39 4.89 3n9mC1 THR 536 HB 0.07 -0.12 0.24 -0.04 4.32 4.46 3n9mC1 THR 536 HG23 0.06 0.10 -0.07 -0.04 1.22 1.27 3n9mC1 THR 537 H 0.01 0.02 -0.04 -0.55 8.28 7.73 3n9mC1 THR 537 HA 0.01 0.30 0.96 -0.75 4.39 4.90 3n9mC1 THR 537 HB 0.07 0.08 0.05 -0.04 4.32 4.48 3n9mC1 THR 537 HG23 -0.01 -0.02 -0.25 -0.04 1.22 0.90 3n9mC1 THR 538 H 0.09 0.05 -0.09 -0.55 8.28 7.78 3n9mC1 THR 538 HA 0.24 0.18 0.81 -0.75 4.39 4.87 3n9mC1 THR 538 HB 0.14 0.04 -0.01 -0.04 4.32 4.45 3n9mC1 THR 538 HG23 0.15 0.02 -0.24 -0.04 1.22 1.11 3n9mC1 TRP 539 H 0.51 0.19 0.10 -0.55 7.97 8.22 3n9mC1 TRP 539 HA 0.21 0.13 0.55 -0.75 4.62 4.76 3n9mC1 TRP 539 HB2 0.60 0.14 0.06 -0.04 3.23 3.99 3n9mC1 TRP 539 HB3 0.29 -0.05 0.12 -0.04 3.23 3.55 3n9mC1 TRP 539 HD1 -0.02 0.08 -0.01 -0.04 7.22 7.23 3n9mC1 TRP 539 HE1 0.16 0.05 -0.06 -0.04 10.20 10.31 3n9mC1 TRP 539 HE3 0.20 -0.02 -0.11 -0.04 7.59 7.62 3n9mC1 TRP 539 HZ2 0.03 0.05 -0.09 -0.04 7.44 7.39 3n9mC1 TRP 539 HZ3 0.19 0.11 -0.16 -0.04 7.13 7.22 3n9mC1 TRP 539 HH2 0.29 0.12 -0.11 -0.04 7.19 7.45 3n9mC1 PHE 540 H -0.15 0.23 0.14 -0.55 8.34 8.01 3n9mC1 PHE 540 HA -0.36 0.11 0.14 -0.75 4.62 3.76 3n9mC1 PHE 540 HB2 -1.81 0.12 0.06 -0.04 3.15 1.48 3n9mC1 PHE 540 HB3 -1.25 -0.05 0.05 -0.04 3.06 1.77 3n9mC1 PHE 540 HD2 -1.43 0.01 -0.15 -0.04 7.28 5.67 3n9mC1 PHE 540 HE2 -0.32 0.01 -0.28 -0.04 7.38 6.75 3n9mC1 PHE 540 HZ -0.16 0.05 -0.09 -0.04 7.32 7.08 3n9mC1 GLY 541 H -1.75 0.08 -0.44 -0.55 8.43 5.77 3n9mC1 GLY 541 HA2 -0.94 0.05 0.34 -0.51 4.01 2.94 3n9mC1 GLY 541 HA3 -1.38 0.10 0.19 -0.51 4.01 2.41 3n9mC1 ASP 542 H 0.01 0.57 -0.24 -0.55 8.40 8.20 3n9mC1 ASP 542 HA 0.13 0.11 0.46 -0.75 4.63 4.58 3n9mC1 ASP 542 HB2 0.26 0.11 0.08 -0.04 2.71 3.13 3n9mC1 ASP 542 HB3 0.16 -0.00 0.04 -0.04 2.70 2.86 3n9mC1 ILE 543 H -0.22 0.30 -0.36 -0.55 8.25 7.42 3n9mC1 ILE 543 HA -0.06 0.20 0.92 -0.75 4.18 4.48 3n9mC1 ILE 543 HB -0.03 -0.01 0.15 -0.04 1.89 1.96 3n9mC1 ILE 543 HG12 -0.05 -0.02 -0.15 -0.04 1.49 1.24 3n9mC1 ILE 543 HG13 -0.14 0.09 -0.18 -0.04 1.21 0.94 3n9mC1 ILE 543 HG23 0.03 -0.01 -0.16 -0.04 0.93 0.76 3n9mC1 ILE 543 HD13 0.13 -0.01 -0.08 -0.04 0.88 0.89 3n9mC1 ALA 544 H -0.36 0.27 -0.40 -0.55 8.40 7.37 3n9mC1 ALA 544 HA -0.39 0.21 0.70 -0.75 4.34 4.11 3n9mC1 ALA 544 HB3 -0.97 0.05 0.08 -0.04 1.41 0.53 3n9mC1 ASN 545 H -0.12 0.17 -0.40 -0.55 8.53 7.63 3n9mC1 ASN 545 HA -0.05 0.06 0.23 -0.75 4.76 4.25 3n9mC1 ASN 545 HB2 -0.05 0.02 -0.20 -0.04 2.88 2.60 3n9mC1 ASN 545 HB3 -0.06 0.11 -0.10 -0.04 2.79 2.69 3n9mC1 ASN 545 HD21 -0.02 -0.01 0.01 -0.04 7.03 6.96 3n9mC1 ASN 545 HD22 -0.03 -0.03 -0.03 -0.04 7.74 7.61 3n9mC1 GLY 546 H -0.08 0.06 -0.38 -0.55 8.43 7.48 3n9mC1 GLY 546 HA2 0.01 0.07 0.25 -0.51 4.01 3.83 3n9mC1 GLY 546 HA3 0.00 0.10 0.38 -0.51 4.01 3.98 3n9mC1 ALA 547 H -0.09 0.28 -0.24 -0.55 8.40 7.80 3n9mC1 ALA 547 HA 0.00 0.10 0.51 -0.75 4.34 4.19 3n9mC1 ALA 547 HB3 -0.06 -0.02 0.08 -0.04 1.41 1.37 3n9mC1 VAL 548 H -0.04 -0.04 -0.19 -0.55 8.24 7.43 3n9mC1 VAL 548 HA 0.18 0.32 0.45 -0.75 4.13 4.32 3n9mC1 VAL 548 HB 0.03 -0.03 0.08 -0.04 2.12 2.15 3n9mC1 VAL 548 HG13 0.47 -0.01 -0.29 -0.04 0.97 1.10 3n9mC1 VAL 548 HG23 -0.31 -0.04 -0.15 -0.04 0.95 0.40 3n9mC1 LYS 549 H 0.27 0.67 0.41 -0.55 8.42 9.21 3n9mC1 LYS 549 HA 0.20 0.32 0.79 -0.75 4.32 4.88 3n9mC1 LYS 549 HB2 0.19 -0.11 -0.03 -0.04 1.87 1.88 3n9mC1 LYS 549 HB3 0.14 0.02 -0.18 -0.04 1.79 1.73 3n9mC1 LYS 549 HG2 0.18 0.17 -0.02 -0.04 1.46 1.75 3n9mC1 LYS 549 HG3 0.15 -0.24 -0.02 -0.04 1.46 1.32 3n9mC1 LYS 549 HD2 0.11 0.15 -0.26 -0.04 1.69 1.65 3n9mC1 LYS 549 HD3 0.13 0.15 -0.47 -0.04 1.68 1.45 3n9mC1 LYS 549 HE2 0.07 0.08 -0.05 -0.04 2.99 3.04 3n9mC1 LYS 549 HE3 0.09 0.08 -0.15 -0.04 2.99 2.97 3n9mC1 ARG 550 H 0.15 0.69 0.22 -0.55 8.46 8.97 3n9mC1 ARG 550 HA 0.09 0.24 1.02 -0.75 4.34 4.93 3n9mC1 ARG 550 HB2 0.24 0.03 -0.17 -0.04 1.90 1.96 3n9mC1 ARG 550 HB3 0.10 -0.00 -0.07 -0.04 1.80 1.79 3n9mC1 ARG 550 HG2 -0.10 -0.06 -0.16 -0.04 1.67 1.31 3n9mC1 ARG 550 HG3 0.07 -0.03 -0.13 -0.04 1.67 1.53 3n9mC1 ARG 550 HD2 0.12 -0.10 -0.23 -0.04 3.22 2.97 3n9mC1 ARG 550 HD3 0.14 0.14 -0.11 -0.04 3.22 3.35 3n9mC1 VAL 551 H -0.04 0.68 0.27 -0.55 8.24 8.60 3n9mC1 VAL 551 HA 0.01 0.13 0.82 -0.75 4.13 4.33 3n9mC1 VAL 551 HB -0.01 0.06 -0.10 -0.04 2.12 2.03 3n9mC1 VAL 551 HG13 0.01 -0.02 -0.11 -0.04 0.97 0.81 3n9mC1 VAL 551 HG23 -0.06 -0.02 -0.26 -0.04 0.95 0.56 3n9mC1 VAL 552 H 0.00 0.18 0.12 -0.55 8.24 7.99 3n9mC1 VAL 552 HA 0.03 0.21 0.97 -0.75 4.13 4.59 3n9mC1 VAL 552 HB 0.02 -0.03 0.09 -0.04 2.12 2.16 3n9mC1 VAL 552 HG13 0.03 -0.00 -0.16 -0.04 0.97 0.79 3n9mC1 VAL 552 HG23 0.01 0.01 -0.09 -0.04 0.95 0.84 3n9mC1 ILE 553 H 0.07 0.82 0.34 -0.55 8.25 8.93 3n9mC1 ILE 553 HA 0.01 0.12 0.94 -0.75 4.18 4.50 3n9mC1 ILE 553 HB 0.11 -0.05 0.08 -0.04 1.89 1.99 3n9mC1 ILE 553 HG12 -0.17 -0.01 -0.22 -0.04 1.49 1.05 3n9mC1 ILE 553 HG13 -0.07 0.05 -0.35 -0.04 1.21 0.80 3n9mC1 ILE 553 HG23 0.03 0.02 -0.27 -0.04 0.93 0.68 3n9mC1 ILE 553 HD13 -0.02 -0.02 -0.26 -0.04 0.88 0.53 3n9mC1 LYS 554 H 0.02 0.13 0.07 -0.55 8.42 8.09 3n9mC1 LYS 554 HA 0.04 0.14 0.73 -0.75 4.32 4.47 3n9mC1 LYS 554 HB2 0.02 0.02 0.07 -0.04 1.87 1.94 3n9mC1 LYS 554 HB3 0.02 -0.02 0.17 -0.04 1.79 1.92 3n9mC1 LYS 554 HG2 0.03 0.01 -0.00 -0.04 1.46 1.45 3n9mC1 LYS 554 HG3 0.03 -0.05 -0.18 -0.04 1.46 1.22 3n9mC1 LYS 554 HD2 0.02 0.01 -0.02 -0.04 1.69 1.65 3n9mC1 LYS 554 HD3 0.02 0.02 0.01 -0.04 1.68 1.69 3n9mC1 LYS 554 HE2 0.02 -0.00 -0.05 -0.04 2.99 2.92 3n9mC1 LYS 554 HE3 0.02 -0.00 -0.02 -0.04 2.99 2.95 3n9mC1 GLU 555 H 0.02 0.08 0.21 -0.55 8.60 8.37 3n9mC1 GLU 555 HA -0.02 0.07 0.29 -0.75 4.29 3.88 3n9mC1 GLU 555 HB2 0.02 -0.01 0.24 -0.04 2.09 2.30 3n9mC1 GLU 555 HB3 0.02 -0.03 0.09 -0.04 1.99 2.03 3n9mC1 GLU 555 HG2 0.02 0.23 -0.06 -0.04 2.34 2.49 3n9mC1 GLU 555 HG3 0.03 -0.14 -0.04 -0.04 2.34 2.15 3n9mC1 GLY 556 H -0.12 0.82 0.35 -0.55 8.43 8.93 3n9mC1 GLY 556 HA2 -0.01 -0.02 0.44 -0.51 4.01 3.91 3n9mC1 GLY 556 HA3 0.03 0.03 0.67 -0.51 4.01 4.22 3n9mC1 GLN 557 H -0.06 0.42 -0.24 -0.55 8.47 8.05 3n9mC1 GLN 557 HA 0.03 0.28 0.75 -0.75 4.36 4.67 3n9mC1 GLN 557 HB2 -0.00 0.04 0.03 -0.04 2.15 2.17 3n9mC1 GLN 557 HB3 0.01 -0.08 -0.02 -0.04 2.02 1.89 3n9mC1 GLN 557 HG2 0.02 0.23 -0.02 -0.04 2.40 2.59 3n9mC1 GLN 557 HG3 0.01 0.07 -0.25 -0.04 2.39 2.18 3n9mC1 GLN 557 HE21 0.02 -0.02 0.01 -0.04 6.97 6.93 3n9mC1 GLN 557 HE22 0.02 0.07 0.03 -0.04 7.69 7.77 3n9mC1 THR 558 H 0.03 0.46 0.25 -0.55 8.28 8.47 3n9mC1 THR 558 HA 0.11 0.33 1.13 -0.75 4.39 5.21 3n9mC1 THR 558 HB 0.01 -0.11 0.02 -0.04 4.32 4.21 3n9mC1 THR 558 HG23 0.09 0.00 -0.20 -0.04 1.22 1.07 3n9mC1 LEU 559 H 0.11 0.72 0.36 -0.55 8.37 9.02 3n9mC1 LEU 559 HA -0.06 0.23 1.07 -0.75 4.35 4.84 3n9mC1 LEU 559 HB2 -0.15 0.00 -0.07 -0.04 1.64 1.38 3n9mC1 LEU 559 HB3 -0.15 -0.05 -0.00 -0.04 1.64 1.40 3n9mC1 LEU 559 HG -0.35 0.01 -0.22 -0.04 1.64 1.04 3n9mC1 LEU 559 HD13 -0.20 0.04 -0.08 -0.04 0.93 0.66 3n9mC1 LEU 559 HD23 -1.14 -0.01 -0.19 -0.04 0.89 -0.48 3n9mC1 LEU 560 H 0.04 0.78 0.30 -0.55 8.37 8.93 3n9mC1 LEU 560 HA 0.26 0.31 1.09 -0.75 4.35 5.26 3n9mC1 LEU 560 HB2 0.12 -0.06 0.19 -0.04 1.64 1.85 3n9mC1 LEU 560 HB3 0.32 0.01 0.01 -0.04 1.64 1.94 3n9mC1 LEU 560 HG -0.14 -0.05 -0.39 -0.04 1.64 1.02 3n9mC1 LEU 560 HD13 -0.99 -0.03 -0.12 -0.04 0.93 -0.24 3n9mC1 LEU 560 HD23 0.11 0.04 0.01 -0.04 0.89 1.01 3n9mC1 ILE 561 H 0.24 0.75 0.26 -0.55 8.25 8.95 3n9mC1 ILE 561 HA -0.09 0.19 0.96 -0.75 4.18 4.49 3n9mC1 ILE 561 HB -0.08 -0.07 0.11 -0.04 1.89 1.81 3n9mC1 ILE 561 HG12 -0.34 0.03 -0.19 -0.04 1.49 0.94 3n9mC1 ILE 561 HG13 -0.17 -0.14 -0.52 -0.04 1.21 0.33 3n9mC1 ILE 561 HG23 -0.17 0.09 -0.14 -0.04 0.93 0.66 3n9mC1 ILE 561 HD13 -0.44 0.00 -0.20 -0.04 0.88 0.20 3n9mC1 PRO 562 HA -1.20 0.01 0.43 -0.51 4.44 3.18 3n9mC1 PRO 562 HB2 -0.41 0.09 -0.04 -0.04 2.28 1.88 3n9mC1 PRO 562 HB3 -2.14 -0.02 -0.17 -0.04 2.02 -0.36 3n9mC1 PRO 562 HG2 0.13 0.06 -0.29 -0.04 2.03 1.88 3n9mC1 PRO 562 HG3 -0.08 0.02 -0.69 -0.04 2.03 1.25 3n9mC1 PRO 562 HD2 -0.38 0.04 0.05 -0.04 3.68 3.35 3n9mC1 PRO 562 HD3 0.15 0.24 -0.06 -0.04 3.65 3.94 3n9mC1 ALA 563 H -0.19 0.10 0.10 -0.55 8.40 7.86 3n9mC1 ALA 563 HA -0.03 0.20 0.18 -0.75 4.34 3.93 3n9mC1 ALA 563 HB3 -0.06 -0.03 0.09 -0.04 1.41 1.37 3n9mC1 GLY 564 H 0.07 0.20 0.07 -0.55 8.43 8.23 3n9mC1 GLY 564 HA2 0.12 -0.05 0.28 -0.51 4.01 3.85 3n9mC1 GLY 564 HA3 0.13 0.13 0.39 -0.51 4.01 4.14 3n9mC1 TRP 565 H 0.39 0.21 -0.33 -0.55 7.97 7.70 3n9mC1 TRP 565 HA 0.06 0.10 0.36 -0.75 4.62 4.39 3n9mC1 TRP 565 HB2 0.02 0.01 -0.03 -0.04 3.23 3.19 3n9mC1 TRP 565 HB3 0.08 -0.00 -0.14 -0.04 3.23 3.12 3n9mC1 TRP 565 HD1 -0.09 0.09 -0.40 -0.04 7.22 6.78 3n9mC1 TRP 565 HE1 -0.05 0.30 -0.04 -0.04 10.20 10.37 3n9mC1 TRP 565 HE3 0.07 -0.02 -0.26 -0.04 7.59 7.34 3n9mC1 TRP 565 HZ2 0.01 0.13 0.20 -0.04 7.44 7.73 3n9mC1 TRP 565 HZ3 0.05 -0.02 -0.20 -0.04 7.13 6.91 3n9mC1 TRP 565 HH2 0.02 -0.09 0.08 -0.04 7.19 7.15 3n9mC1 ILE 566 H 0.12 0.51 0.27 -0.55 8.25 8.61 3n9mC1 ILE 566 HA -0.18 0.24 0.75 -0.75 4.18 4.23 3n9mC1 ILE 566 HB 0.05 -0.06 0.11 -0.04 1.89 1.95 3n9mC1 ILE 566 HG12 -0.50 -0.04 -0.12 -0.04 1.49 0.80 3n9mC1 ILE 566 HG13 -0.01 0.13 -0.02 -0.04 1.21 1.27 3n9mC1 ILE 566 HG23 -0.36 -0.02 -0.19 -0.04 0.93 0.31 3n9mC1 ILE 566 HD13 0.02 -0.03 -0.17 -0.04 0.88 0.67 3n9mC1 HIS 567 H -0.42 0.42 0.31 -0.55 8.41 8.18 3n9mC1 HIS 567 HA 0.26 0.40 0.97 -0.75 4.63 5.51 3n9mC1 HIS 567 HB2 0.13 0.02 -0.13 -0.04 3.26 3.25 3n9mC1 HIS 567 HB3 0.20 -0.01 -0.41 -0.04 3.20 2.94 3n9mC1 HIS 567 HD2 -0.19 -0.01 -0.35 -0.04 6.97 6.37 3n9mC1 HIS 567 HE1 -0.03 -0.10 -0.07 -0.04 7.75 7.50 3n9mC1 ALA 568 H -0.07 0.56 0.35 -0.55 8.40 8.69 3n9mC1 ALA 568 HA -0.34 0.29 0.60 -0.75 4.34 4.13 3n9mC1 ALA 568 HB3 -0.86 -0.01 0.05 -0.04 1.41 0.55 3n9mC1 VAL 569 H -0.39 0.57 0.25 -0.55 8.24 8.11 3n9mC1 VAL 569 HA -0.26 0.31 1.12 -0.75 4.13 4.55 3n9mC1 VAL 569 HB -0.25 -0.07 -0.04 -0.04 2.12 1.72 3n9mC1 VAL 569 HG13 -0.23 -0.01 -0.32 -0.04 0.97 0.37 3n9mC1 VAL 569 HG23 -1.03 0.00 -0.37 -0.04 0.95 -0.50 3n9mC1 LEU 570 H 0.13 0.71 0.31 -0.55 8.37 8.98 3n9mC1 LEU 570 HA 0.27 0.27 1.00 -0.75 4.35 5.13 3n9mC1 LEU 570 HB2 0.75 -0.01 -0.02 -0.04 1.64 2.32 3n9mC1 LEU 570 HB3 0.38 -0.06 0.14 -0.04 1.64 2.06 3n9mC1 LEU 570 HG 0.24 -0.06 -0.27 -0.04 1.64 1.51 3n9mC1 LEU 570 HD13 0.37 0.09 -0.03 -0.04 0.93 1.33 3n9mC1 LEU 570 HD23 0.35 -0.01 -0.11 -0.04 0.89 1.08 3n9mC1 THR 571 H 0.15 0.65 0.06 -0.55 8.28 8.59 3n9mC1 THR 571 HA 0.10 0.26 0.97 -0.75 4.39 4.96 3n9mC1 THR 571 HB 0.07 -0.06 0.11 -0.04 4.32 4.40 3n9mC1 THR 571 HG23 0.08 -0.02 -0.29 -0.04 1.22 0.94 3n9mC1 PRO 572 HA 0.07 0.06 0.37 -0.51 4.44 4.43 3n9mC1 PRO 572 HB2 0.05 -0.01 -0.03 -0.04 2.28 2.25 3n9mC1 PRO 572 HB3 0.05 0.04 -0.00 -0.04 2.02 2.06 3n9mC1 PRO 572 HG2 0.07 0.00 -0.15 -0.04 2.03 1.92 3n9mC1 PRO 572 HG3 0.10 0.03 -0.11 -0.04 2.03 2.00 3n9mC1 PRO 572 HD2 0.09 0.39 0.09 -0.04 3.68 4.21 3n9mC1 PRO 572 HD3 0.11 0.51 0.03 -0.04 3.65 4.26 3n9mC1 VAL 573 H 0.06 0.24 -0.02 -0.55 8.24 7.97 3n9mC1 VAL 573 HA 0.02 0.17 0.85 -0.75 4.13 4.41 3n9mC1 VAL 573 HB 0.05 -0.09 0.01 -0.04 2.12 2.05 3n9mC1 VAL 573 HG13 0.03 0.07 0.03 -0.04 0.97 1.06 3n9mC1 VAL 573 HG23 0.03 0.00 -0.11 -0.04 0.95 0.83 3n9mC1 ASP 574 H -0.01 0.11 0.17 -0.55 8.40 8.12 3n9mC1 ASP 574 HA 0.05 0.16 0.58 -0.75 4.63 4.67 3n9mC1 ASP 574 HB2 0.01 -0.05 0.16 -0.04 2.71 2.78 3n9mC1 ASP 574 HB3 0.14 0.03 0.04 -0.04 2.70 2.87 3n9mC1 SER 575 H 0.23 0.62 0.40 -0.55 8.46 9.16 3n9mC1 SER 575 HA 0.10 0.18 0.87 -0.75 4.49 4.89 3n9mC1 SER 575 HB2 0.09 -0.07 -0.01 -0.04 3.95 3.92 3n9mC1 SER 575 HB3 0.07 0.03 -0.04 -0.04 3.93 3.95 3n9mC1 LEU 576 H 0.04 0.67 0.34 -0.55 8.37 8.88 3n9mC1 LEU 576 HA -0.09 0.26 0.95 -0.75 4.35 4.72 3n9mC1 LEU 576 HB2 -0.01 -0.05 -0.03 -0.04 1.64 1.52 3n9mC1 LEU 576 HB3 0.07 -0.08 0.16 -0.04 1.64 1.74 3n9mC1 LEU 576 HG -0.03 0.06 -0.19 -0.04 1.64 1.44 3n9mC1 LEU 576 HD13 -0.12 0.03 -0.06 -0.04 0.93 0.74 3n9mC1 LEU 576 HD23 0.19 -0.02 -0.16 -0.04 0.89 0.86 3n9mC1 VAL 577 H -0.17 0.66 0.35 -0.55 8.24 8.53 3n9mC1 VAL 577 HA -0.08 0.17 1.19 -0.75 4.13 4.65 3n9mC1 VAL 577 HB -0.16 0.00 -0.00 -0.04 2.12 1.92 3n9mC1 VAL 577 HG13 -0.86 0.02 -0.30 -0.04 0.97 -0.22 3n9mC1 VAL 577 HG23 -0.05 -0.02 -0.32 -0.04 0.95 0.52 3n9mC1 PHE 578 H 0.09 0.57 0.36 -0.55 8.34 8.81 3n9mC1 PHE 578 HA -0.01 0.33 1.06 -0.75 4.62 5.25 3n9mC1 PHE 578 HB2 0.05 -0.05 0.13 -0.04 3.15 3.24 3n9mC1 PHE 578 HB3 0.06 0.09 -0.00 -0.04 3.06 3.16 3n9mC1 PHE 578 HD2 0.18 0.05 -0.10 -0.04 7.28 7.36 3n9mC1 PHE 578 HE2 -0.31 -0.04 -0.13 -0.04 7.38 6.87 3n9mC1 PHE 578 HZ -0.02 -0.07 -0.11 -0.04 7.32 7.08 3n9mC1 GLY 579 H -0.64 0.63 0.28 -0.55 8.43 8.15 3n9mC1 GLY 579 HA2 -0.88 0.10 0.62 -0.51 4.01 3.34 3n9mC1 GLY 579 HA3 -0.85 0.02 0.42 -0.51 4.01 3.09 3n9mC1 GLY 580 H -1.02 0.46 0.35 -0.55 8.43 7.67 3n9mC1 GLY 580 HA2 -0.24 0.02 0.38 -0.51 4.01 3.66 3n9mC1 GLY 580 HA3 -0.24 0.31 0.33 -0.51 4.01 3.90 3n9mC1 ASN 581 H 0.28 0.79 0.35 -0.55 8.53 9.41 3n9mC1 ASN 581 HA 0.19 0.48 1.05 -0.75 4.76 5.73 3n9mC1 ASN 581 HB2 0.30 -0.05 0.05 -0.04 2.88 3.14 3n9mC1 ASN 581 HB3 0.05 -0.02 -0.05 -0.04 2.79 2.73 3n9mC1 ASN 581 HD21 0.26 -0.01 -0.13 -0.04 7.03 7.10 3n9mC1 ASN 581 HD22 0.44 0.08 0.01 -0.04 7.74 8.23 3n9mC1 PHE 582 H -0.13 0.58 0.25 -0.55 8.34 8.50 3n9mC1 PHE 582 HA 0.27 0.09 0.74 -0.75 4.62 4.98 3n9mC1 PHE 582 HB2 0.16 -0.06 0.03 -0.04 3.15 3.24 3n9mC1 PHE 582 HB3 0.17 0.10 -0.26 -0.04 3.06 3.03 3n9mC1 PHE 582 HD2 0.20 0.03 -0.41 -0.04 7.28 7.07 3n9mC1 PHE 582 HE2 0.15 -0.02 -0.32 -0.04 7.38 7.15 3n9mC1 PHE 582 HZ 0.46 0.01 -0.22 -0.04 7.32 7.53 3n9mC1 LEU 583 H 0.29 0.09 0.21 -0.55 8.37 8.41 3n9mC1 LEU 583 HA 0.05 0.21 0.92 -0.75 4.35 4.78 3n9mC1 LEU 583 HB2 -0.06 -0.10 0.10 -0.04 1.64 1.54 3n9mC1 LEU 583 HB3 -0.13 0.06 0.02 -0.04 1.64 1.54 3n9mC1 LEU 583 HG -0.19 -0.07 -0.15 -0.04 1.64 1.19 3n9mC1 LEU 583 HD13 -0.78 0.00 -0.05 -0.04 0.93 0.06 3n9mC1 LEU 583 HD23 -0.13 0.03 -0.15 -0.04 0.89 0.60 3n9mC1 HIS 584 H -0.04 0.30 0.16 -0.55 8.41 8.28 3n9mC1 HIS 584 HA 0.06 0.24 0.79 -0.75 4.63 4.97 3n9mC1 HIS 584 HB2 0.23 -0.02 0.10 -0.04 3.26 3.53 3n9mC1 HIS 584 HB3 0.37 0.13 -0.28 -0.04 3.20 3.38 3n9mC1 HIS 584 HD2 0.06 0.03 -0.10 -0.04 6.97 6.92 3n9mC1 HIS 584 HE1 0.48 0.22 -0.07 -0.04 7.75 8.34 3n9mC1 LEU 585 H 0.09 0.30 0.16 -0.55 8.37 8.37 3n9mC1 LEU 585 HA -0.10 0.05 0.35 -0.75 4.35 3.90 3n9mC1 LEU 585 HB2 0.08 0.04 0.15 -0.04 1.64 1.87 3n9mC1 LEU 585 HB3 0.05 0.05 -0.05 -0.04 1.64 1.66 3n9mC1 LEU 585 HG -0.01 -0.00 0.07 -0.04 1.64 1.65 3n9mC1 LEU 585 HD13 -0.32 0.01 -0.01 -0.04 0.93 0.56 3n9mC1 LEU 585 HD23 0.18 0.02 -0.01 -0.04 0.89 1.04 3n9mC1 GLY 586 H 0.23 0.08 -0.28 -0.55 8.43 7.92 3n9mC1 GLY 586 HA2 0.10 0.08 0.50 -0.51 4.01 4.18 3n9mC1 GLY 586 HA3 0.29 0.26 0.24 -0.51 4.01 4.29 3n9mC1 ASN 587 H -0.53 0.32 -0.31 -0.55 8.53 7.46 3n9mC1 ASN 587 HA -0.08 0.25 0.91 -0.75 4.76 5.08 3n9mC1 ASN 587 HB2 -0.74 -0.02 0.13 -0.04 2.88 2.21 3n9mC1 ASN 587 HB3 -0.18 -0.04 0.25 -0.04 2.79 2.78 3n9mC1 ASN 587 HD21 0.16 0.52 0.06 -0.04 7.03 7.73 3n9mC1 ASN 587 HD22 0.06 0.26 -0.32 -0.04 7.74 7.70 3n9mC1 LEU 588 H -0.10 0.49 -0.21 -0.55 8.37 8.00 3n9mC1 LEU 588 HA -0.08 0.04 0.35 -0.75 4.35 3.91 3n9mC1 LEU 588 HB2 -0.08 0.09 0.23 -0.04 1.64 1.83 3n9mC1 LEU 588 HB3 -0.07 -0.02 0.16 -0.04 1.64 1.68 3n9mC1 LEU 588 HG -0.09 -0.03 -0.18 -0.04 1.64 1.31 3n9mC1 LEU 588 HD13 -0.05 -0.01 0.01 -0.04 0.93 0.84 3n9mC1 LEU 588 HD23 -0.09 -0.02 0.07 -0.04 0.89 0.81 3n9mC1 GLU 589 H -0.05 0.20 -0.08 -0.55 8.60 8.13 3n9mC1 GLU 589 HA -0.05 0.04 0.39 -0.75 4.29 3.93 3n9mC1 GLU 589 HB2 -0.03 0.04 0.09 -0.04 2.09 2.15 3n9mC1 GLU 589 HB3 -0.03 0.04 -0.06 -0.04 1.99 1.90 3n9mC1 GLU 589 HG2 -0.04 -0.02 0.05 -0.04 2.34 2.28 3n9mC1 GLU 589 HG3 -0.04 0.02 0.05 -0.04 2.34 2.34 3n9mC1 MET 590 H -0.04 0.16 -0.24 -0.55 8.47 7.80 3n9mC1 MET 590 HA 0.00 0.02 0.36 -0.75 4.52 4.15 3n9mC1 MET 590 HB2 -0.02 0.01 0.09 -0.04 2.15 2.19 3n9mC1 MET 590 HB3 -0.03 0.08 0.10 -0.04 2.03 2.13 3n9mC1 MET 590 HG2 -0.00 0.31 -0.12 -0.04 2.63 2.78 3n9mC1 MET 590 HG3 0.04 -0.09 -0.27 -0.04 2.56 2.19 3n9mC1 MET 590 HE3 -0.12 0.04 0.05 -0.04 2.10 2.03 3n9mC1 GLN 591 H -0.04 0.52 -0.21 -0.55 8.47 8.19 3n9mC1 GLN 591 HA 0.02 0.05 0.50 -0.75 4.36 4.17 3n9mC1 GLN 591 HB2 0.01 0.06 0.20 -0.04 2.15 2.38 3n9mC1 GLN 591 HB3 0.16 -0.02 0.05 -0.04 2.02 2.17 3n9mC1 GLN 591 HG2 -0.01 0.12 -0.06 -0.04 2.40 2.42 3n9mC1 GLN 591 HG3 -0.07 0.05 0.10 -0.04 2.39 2.43 3n9mC1 GLN 591 HE21 -0.11 -0.12 -0.13 -0.04 6.97 6.56 3n9mC1 GLN 591 HE22 0.01 0.06 -0.03 -0.04 7.69 7.69 3n9mC1 MET 592 H -0.02 0.53 -0.07 -0.55 8.47 8.35 3n9mC1 MET 592 HA 0.01 -0.01 0.43 -0.75 4.52 4.20 3n9mC1 MET 592 HB2 -0.10 0.13 0.15 -0.04 2.15 2.30 3n9mC1 MET 592 HB3 -0.17 -0.05 0.03 -0.04 2.03 1.80 3n9mC1 MET 592 HG2 -0.07 0.19 0.05 -0.04 2.63 2.76 3n9mC1 MET 592 HG3 -0.12 -0.04 -0.00 -0.04 2.56 2.36 3n9mC1 MET 592 HE3 -0.47 -0.01 -0.02 -0.04 2.10 1.56 3n9mC1 ARG 593 H -0.08 0.53 -0.13 -0.55 8.46 8.23 3n9mC1 ARG 593 HA -0.12 -0.01 0.41 -0.75 4.34 3.87 3n9mC1 ARG 593 HB2 0.07 0.13 0.16 -0.04 1.90 2.22 3n9mC1 ARG 593 HB3 0.19 -0.03 -0.01 -0.04 1.80 1.91 3n9mC1 ARG 593 HG2 0.08 -0.05 0.03 -0.04 1.67 1.69 3n9mC1 ARG 593 HG3 0.01 0.07 0.04 -0.04 1.67 1.74 3n9mC1 ARG 593 HD2 0.00 -0.04 -0.04 -0.04 3.22 3.10 3n9mC1 ARG 593 HD3 -0.00 -0.01 -0.12 -0.04 3.22 3.04 3n9mC1 VAL 594 H 0.00 0.66 -0.16 -0.55 8.24 8.19 3n9mC1 VAL 594 HA -0.17 0.02 0.52 -0.75 4.13 3.74 3n9mC1 VAL 594 HB -0.01 0.19 0.07 -0.04 2.12 2.32 3n9mC1 VAL 594 HG13 -0.05 -0.03 -0.13 -0.04 0.97 0.71 3n9mC1 VAL 594 HG23 -0.03 0.02 0.04 -0.04 0.95 0.94 3n9mC1 TYR 595 H -0.03 0.54 -0.26 -0.55 8.29 7.99 3n9mC1 TYR 595 HA -0.24 -0.08 0.44 -0.75 4.56 3.92 3n9mC1 TYR 595 HB2 -0.38 0.10 0.11 -0.04 3.06 2.85 3n9mC1 TYR 595 HB3 -0.20 0.18 0.15 -0.04 2.98 3.07 3n9mC1 TYR 595 HD2 -0.15 -0.01 -0.00 -0.04 7.15 6.95 3n9mC1 TYR 595 HE2 -0.19 -0.01 -0.02 -0.04 6.85 6.59 3n9mC1 HIS 596 H -0.18 0.52 -0.21 -0.55 8.41 7.99 3n9mC1 HIS 596 HA -0.14 0.02 0.45 -0.75 4.63 4.20 3n9mC1 HIS 596 HB2 0.01 0.14 0.16 -0.04 3.26 3.53 3n9mC1 HIS 596 HB3 -0.02 -0.04 0.02 -0.04 3.20 3.11 3n9mC1 HIS 596 HD2 0.05 -0.06 -0.13 -0.04 6.97 6.78 3n9mC1 HIS 596 HE1 0.02 -0.04 -0.08 -0.04 7.75 7.61 3n9mC1 LEU 597 H -0.01 0.54 -0.07 -0.55 8.37 8.28 3n9mC1 LEU 597 HA -0.04 0.01 0.44 -0.75 4.35 4.00 3n9mC1 LEU 597 HB2 -0.16 0.01 0.12 -0.04 1.64 1.57 3n9mC1 LEU 597 HB3 -0.19 0.12 0.23 -0.04 1.64 1.76 3n9mC1 LEU 597 HG -0.08 -0.00 -0.23 -0.04 1.64 1.28 3n9mC1 LEU 597 HD13 -0.05 -0.02 -0.01 -0.04 0.93 0.81 3n9mC1 LEU 597 HD23 -0.59 -0.01 -0.02 -0.04 0.89 0.23 3n9mC1 GLU 598 H -0.10 0.74 -0.08 -0.55 8.60 8.62 3n9mC1 GLU 598 HA 0.00 0.00 0.34 -0.75 4.29 3.89 3n9mC1 GLU 598 HB2 -0.16 0.10 0.17 -0.04 2.09 2.16 3n9mC1 GLU 598 HB3 -0.22 -0.06 -0.03 -0.04 1.99 1.63 3n9mC1 GLU 598 HG2 0.27 0.01 0.03 -0.04 2.34 2.60 3n9mC1 GLU 598 HG3 0.04 0.18 0.05 -0.04 2.34 2.57 3n9mC1 ASN 599 H -0.28 0.52 -0.24 -0.55 8.53 7.98 3n9mC1 ASN 599 HA -0.31 -0.02 0.44 -0.75 4.76 4.11 3n9mC1 ASN 599 HB2 -0.25 0.12 0.16 -0.04 2.88 2.87 3n9mC1 ASN 599 HB3 -0.24 -0.04 0.03 -0.04 2.79 2.51 3n9mC1 ASN 599 HD21 -1.77 -0.13 -0.02 -0.04 7.03 5.07 3n9mC1 ASN 599 HD22 -0.48 -0.01 -0.04 -0.04 7.74 7.16 3n9mC1 ALA 600 H -0.11 0.55 -0.13 -0.55 8.40 8.16 3n9mC1 ALA 600 HA -0.08 0.01 0.50 -0.75 4.34 4.02 3n9mC1 ALA 600 HB3 -0.05 0.03 0.13 -0.04 1.41 1.47 3n9mC1 ILE 601 H -0.08 0.58 -0.03 -0.55 8.25 8.16 3n9mC1 ILE 601 HA -0.08 0.02 0.42 -0.75 4.18 3.79 3n9mC1 ILE 601 HB -0.03 0.10 0.17 -0.04 1.89 2.08 3n9mC1 ILE 601 HG12 -0.12 -0.00 0.07 -0.04 1.49 1.39 3n9mC1 ILE 601 HG13 -0.08 0.12 0.08 -0.04 1.21 1.29 3n9mC1 ILE 601 HG23 -0.05 -0.01 -0.12 -0.04 0.93 0.71 3n9mC1 ILE 601 HD13 -0.12 -0.03 -0.07 -0.04 0.88 0.62 3n9mC1 ARG 602 H -0.13 0.60 -0.08 -0.55 8.46 8.30 3n9mC1 ARG 602 HA -0.05 -0.01 0.41 -0.75 4.34 3.94 3n9mC1 ARG 602 HB2 -0.33 0.04 0.12 -0.04 1.90 1.69 3n9mC1 ARG 602 HB3 -0.22 0.07 0.08 -0.04 1.80 1.70 3n9mC1 ARG 602 HG2 -0.11 0.03 0.03 -0.04 1.67 1.59 3n9mC1 ARG 602 HG3 -0.07 -0.11 0.11 -0.04 1.67 1.56 3n9mC1 ARG 602 HD2 -0.23 0.01 -0.02 -0.04 3.22 2.95 3n9mC1 ARG 602 HD3 -0.15 -0.04 0.01 -0.04 3.22 3.00 3n9mC1 LYS 603 H -0.10 0.38 -0.42 -0.55 8.42 7.73 3n9mC1 LYS 603 HA -0.06 0.04 0.61 -0.75 4.32 4.15 3n9mC1 LYS 603 HB2 -0.07 0.14 0.12 -0.04 1.87 2.02 3n9mC1 LYS 603 HB3 -0.06 -0.08 0.08 -0.04 1.79 1.70 3n9mC1 LYS 603 HG2 -0.08 -0.07 -0.00 -0.04 1.46 1.26 3n9mC1 LYS 603 HG3 -0.10 0.30 0.09 -0.04 1.46 1.71 3n9mC1 LYS 603 HD2 -0.06 -0.01 0.01 -0.04 1.69 1.59 3n9mC1 LYS 603 HD3 -0.05 -0.04 0.01 -0.04 1.68 1.56 3n9mC1 LYS 603 HE2 -0.06 -0.04 -0.02 -0.04 2.99 2.83 3n9mC1 LYS 603 HE3 -0.08 -0.04 -0.01 -0.04 2.99 2.81 3n9mC1 GLU 604 H -0.06 0.36 -0.22 -0.55 8.60 8.12 3n9mC1 GLU 604 HA -0.04 0.04 0.48 -0.75 4.29 4.01 3n9mC1 GLU 604 HB2 -0.06 0.09 0.14 -0.04 2.09 2.22 3n9mC1 GLU 604 HB3 -0.06 0.03 0.10 -0.04 1.99 2.02 3n9mC1 GLU 604 HG2 -0.05 -0.04 -0.00 -0.04 2.34 2.21 3n9mC1 GLU 604 HG3 -0.04 0.00 0.06 -0.04 2.34 2.31 3n9mC1 ILE 605 H -0.05 0.44 0.09 -0.55 8.25 8.18 3n9mC1 ILE 605 HA -0.04 0.17 0.91 -0.75 4.18 4.46 3n9mC1 ILE 605 HB -0.05 -0.04 -0.08 -0.04 1.89 1.68 3n9mC1 ILE 605 HG12 -0.07 0.10 -0.10 -0.04 1.49 1.37 3n9mC1 ILE 605 HG13 -0.06 0.10 0.12 -0.04 1.21 1.32 3n9mC1 ILE 605 HG23 -0.06 0.02 -0.07 -0.04 0.93 0.78 3n9mC1 ILE 605 HD13 -0.04 -0.07 -0.08 -0.04 0.88 0.65 3n9mC1 ARG 606 H -0.04 0.17 0.05 -0.55 8.46 8.08 3n9mC1 ARG 606 HA -0.03 0.12 0.47 -0.75 4.34 4.15 3n9mC1 ARG 606 HB2 -0.03 -0.01 0.18 -0.04 1.90 2.00 3n9mC1 ARG 606 HB3 -0.03 0.00 0.15 -0.04 1.80 1.88 3n9mC1 ARG 606 HG2 -0.03 0.03 -0.00 -0.04 1.67 1.63 3n9mC1 ARG 606 HG3 -0.03 0.03 -0.00 -0.04 1.67 1.64 3n9mC1 ARG 606 HD2 -0.02 -0.01 0.03 -0.04 3.22 3.18 3n9mC1 ARG 606 HD3 -0.02 -0.01 0.02 -0.04 3.22 3.17 3n9mC1 SER 607 H -0.03 0.63 0.21 -0.55 8.46 8.73 3n9mC1 SER 607 HA -0.07 0.11 0.50 -0.75 4.49 4.28 3n9mC1 SER 607 HB2 -0.02 -0.27 0.10 -0.04 3.95 3.72 3n9mC1 SER 607 HB3 -0.02 0.12 0.07 -0.04 3.93 4.07 3n9mC1 GLU 608 H 0.02 0.18 0.09 -0.55 8.60 8.34 3n9mC1 GLU 608 HA 0.03 0.02 0.36 -0.75 4.29 3.95 3n9mC1 GLU 608 HB2 -0.07 0.27 0.10 -0.04 2.09 2.36 3n9mC1 GLU 608 HB3 0.03 -0.04 0.06 -0.04 1.99 1.99 3n9mC1 GLU 608 HG2 -0.02 -0.11 -0.43 -0.04 2.34 1.75 3n9mC1 GLU 608 HG3 -0.01 0.05 -0.18 -0.04 2.34 2.15 3n9mC1 GLU 609 H -0.19 0.35 -1.12 -0.55 8.60 7.10 3n9mC1 GLU 609 HA -0.85 0.12 0.67 -0.75 4.29 3.48 3n9mC1 GLU 609 HB2 -0.39 -0.07 0.01 -0.04 2.09 1.60 3n9mC1 GLU 609 HB3 -0.72 -0.01 0.08 -0.04 1.99 1.30 3n9mC1 GLU 609 HG2 -0.20 0.31 0.09 -0.04 2.34 2.49 3n9mC1 GLU 609 HG3 -0.19 -0.07 -0.03 -0.04 2.34 2.01 3n9mC1 LYS 610 H -0.11 -0.05 -0.16 -0.55 8.42 7.55 3n9mC1 LYS 610 HA -0.16 0.03 0.47 -0.75 4.32 3.91 3n9mC1 LYS 610 HB2 -0.01 -0.10 0.05 -0.04 1.87 1.76 3n9mC1 LYS 610 HB3 -0.51 0.04 -0.15 -0.04 1.79 1.13 3n9mC1 LYS 610 HG2 -0.14 0.03 -0.00 -0.04 1.46 1.31 3n9mC1 LYS 610 HG3 -0.11 0.00 0.00 -0.04 1.46 1.32 3n9mC1 LYS 610 HD2 -0.02 -0.01 -0.01 -0.04 1.69 1.61 3n9mC1 LYS 610 HD3 0.08 -0.02 -0.04 -0.04 1.68 1.66 3n9mC1 LYS 610 HE2 -0.06 0.02 -0.02 -0.04 2.99 2.89 3n9mC1 LYS 610 HE3 -0.05 0.08 -0.05 -0.04 2.99 2.93 3n9mC1 PHE 611 H -0.10 0.10 0.13 -0.55 8.34 7.92 3n9mC1 PHE 611 HA -0.14 0.17 0.71 -0.75 4.62 4.61 3n9mC1 PHE 611 HB2 -0.15 0.14 0.03 -0.04 3.15 3.12 3n9mC1 PHE 611 HB3 -0.24 -0.06 0.09 -0.04 3.06 2.80 3n9mC1 PHE 611 HD2 -0.43 0.02 -0.12 -0.04 7.28 6.71 3n9mC1 PHE 611 HE2 -1.42 0.00 -0.25 -0.04 7.38 5.67 3n9mC1 PHE 611 HZ -0.52 -0.00 -0.24 -0.04 7.32 6.51 3n9mC1 TYR 612 H -0.53 0.21 0.09 -0.55 8.29 7.52 3n9mC1 TYR 612 HA -0.16 0.13 0.85 -0.75 4.56 4.62 3n9mC1 TYR 612 HB2 -0.17 0.03 -0.04 -0.04 3.06 2.84 3n9mC1 TYR 612 HB3 -0.06 -0.09 0.06 -0.04 2.98 2.85 3n9mC1 TYR 612 HD2 -0.05 -0.03 -0.07 -0.04 7.15 6.96 3n9mC1 TYR 612 HE2 -0.04 -0.00 -0.08 -0.04 6.85 6.69 3n9mC1 PHE 613 H 0.32 0.01 0.04 -0.55 8.34 8.15 3n9mC1 PHE 613 HA -0.01 0.14 0.16 -0.75 4.62 4.16 3n9mC1 PHE 613 HB2 0.40 -0.06 -0.28 -0.04 3.15 3.17 3n9mC1 PHE 613 HB3 0.34 -0.09 0.04 -0.04 3.06 3.31 3n9mC1 PHE 613 HD2 0.38 0.04 -0.39 -0.04 7.28 7.27 3n9mC1 PHE 613 HE2 0.19 0.03 -0.17 -0.04 7.38 7.39 3n9mC1 PHE 613 HZ 0.17 -0.06 -0.06 -0.04 7.32 7.32 3n9mC1 PRO 614 HA -0.04 -0.02 0.33 -0.51 4.44 4.21 3n9mC1 PRO 614 HB2 -0.11 0.03 -0.00 -0.04 2.28 2.15 3n9mC1 PRO 614 HB3 -0.05 0.09 0.01 -0.04 2.02 2.03 3n9mC1 PRO 614 HG2 -0.07 0.14 -0.21 -0.04 2.03 1.85 3n9mC1 PRO 614 HG3 0.00 0.07 -0.13 -0.04 2.03 1.94 3n9mC1 PRO 614 HD2 -0.81 0.05 0.03 -0.04 3.68 2.91 3n9mC1 PRO 614 HD3 -0.57 0.15 0.06 -0.04 3.65 3.24 3n9mC1 ASN 615 H 0.09 0.12 0.17 -0.55 8.53 8.36 3n9mC1 ASN 615 HA 0.14 -0.05 0.36 -0.75 4.76 4.45 3n9mC1 ASN 615 HB2 0.11 0.23 -0.30 -0.04 2.88 2.88 3n9mC1 ASN 615 HB3 0.19 -0.13 0.21 -0.04 2.79 3.02 3n9mC1 ASN 615 HD21 0.05 0.09 0.02 -0.04 7.03 7.15 3n9mC1 ASN 615 HD22 0.07 -0.14 0.13 -0.04 7.74 7.76 3n9mC1 PHE 616 H 0.34 0.27 -0.18 -0.55 8.34 8.21 3n9mC1 PHE 616 HA 0.19 0.11 0.25 -0.75 4.62 4.42 3n9mC1 PHE 616 HB2 0.13 0.21 0.06 -0.04 3.15 3.51 3n9mC1 PHE 616 HB3 -0.16 -0.11 0.11 -0.04 3.06 2.85 3n9mC1 PHE 616 HD2 -0.60 -0.02 -0.10 -0.04 7.28 6.52 3n9mC1 PHE 616 HE2 -0.36 0.09 -0.02 -0.04 7.38 7.05 3n9mC1 PHE 616 HZ -0.21 0.02 -0.16 -0.04 7.32 6.93 3n9mC1 GLU 617 H 0.06 0.09 -0.09 -0.55 8.60 8.11 3n9mC1 GLU 617 HA -0.19 0.10 0.37 -0.75 4.29 3.81 3n9mC1 GLU 617 HB2 -0.13 -0.04 0.08 -0.04 2.09 1.96 3n9mC1 GLU 617 HB3 -0.10 0.04 -0.05 -0.04 1.99 1.84 3n9mC1 GLU 617 HG2 -3.69 0.04 -0.01 -0.04 2.34 -1.36 3n9mC1 GLU 617 HG3 -0.80 -0.03 0.01 -0.04 2.34 1.47 3n9mC1 LEU 618 H 0.20 0.07 -0.21 -0.55 8.37 7.89 3n9mC1 LEU 618 HA 0.46 0.00 0.36 -0.75 4.35 4.41 3n9mC1 LEU 618 HB2 0.19 0.02 0.06 -0.04 1.64 1.87 3n9mC1 LEU 618 HB3 0.23 0.12 0.11 -0.04 1.64 2.07 3n9mC1 LEU 618 HG 0.31 0.02 -0.31 -0.04 1.64 1.61 3n9mC1 LEU 618 HD13 0.18 -0.03 -0.07 -0.04 0.93 0.97 3n9mC1 LEU 618 HD23 0.22 0.05 -0.03 -0.04 0.89 1.08 3n9mC1 LEU 619 H 0.24 0.66 -0.23 -0.55 8.37 8.49 3n9mC1 LEU 619 HA 0.32 0.02 0.34 -0.75 4.35 4.28 3n9mC1 LEU 619 HB2 0.30 0.10 0.10 -0.04 1.64 2.10 3n9mC1 LEU 619 HB3 0.04 0.24 0.15 -0.04 1.64 2.03 3n9mC1 LEU 619 HG 0.16 -0.06 -0.05 -0.04 1.64 1.66 3n9mC1 LEU 619 HD13 0.24 -0.01 -0.04 -0.04 0.93 1.08 3n9mC1 LEU 619 HD23 -0.62 -0.02 -0.26 -0.04 0.89 -0.06 3n9mC1 HIS 620 H 0.23 0.37 -0.25 -0.55 8.41 8.22 3n9mC1 HIS 620 HA -0.01 0.01 0.58 -0.75 4.63 4.45 3n9mC1 HIS 620 HB2 0.14 0.09 0.13 -0.04 3.26 3.58 3n9mC1 HIS 620 HB3 -0.20 -0.05 0.04 -0.04 3.20 2.94 3n9mC1 HIS 620 HD2 -0.26 -0.04 -0.00 -0.04 6.97 6.62 3n9mC1 HIS 620 HE1 -2.01 -0.02 -0.05 -0.04 7.75 5.63 3n9mC1 TRP 621 H 0.34 0.55 -0.07 -0.55 7.97 8.25 3n9mC1 TRP 621 HA 0.15 0.01 0.54 -0.75 4.62 4.57 3n9mC1 TRP 621 HB2 0.14 0.15 0.18 -0.04 3.23 3.67 3n9mC1 TRP 621 HB3 0.11 -0.03 -0.02 -0.04 3.23 3.25 3n9mC1 TRP 621 HD1 0.16 -0.03 -0.40 -0.04 7.22 6.91 3n9mC1 TRP 621 HE1 0.23 -0.05 -0.10 -0.04 10.20 10.25 3n9mC1 TRP 621 HE3 0.10 -0.00 0.02 -0.04 7.59 7.67 3n9mC1 TRP 621 HZ2 0.32 0.01 -0.06 -0.04 7.44 7.67 3n9mC1 TRP 621 HZ3 0.08 -0.01 -0.00 -0.04 7.13 7.16 3n9mC1 TRP 621 HH2 0.12 0.02 -0.05 -0.04 7.19 7.25 3n9mC1 MET 622 H 0.30 0.67 -0.03 -0.55 8.47 8.86 3n9mC1 MET 622 HA 0.10 0.02 0.40 -0.75 4.52 4.29 3n9mC1 MET 622 HB2 0.10 0.09 0.10 -0.04 2.15 2.40 3n9mC1 MET 622 HB3 -0.10 0.02 -0.04 -0.04 2.03 1.87 3n9mC1 MET 622 HG2 0.18 0.09 -0.04 -0.04 2.63 2.82 3n9mC1 MET 622 HG3 -0.03 0.03 -0.05 -0.04 2.56 2.47 3n9mC1 MET 622 HE3 0.17 0.00 -0.18 -0.04 2.10 2.06 3n9mC1 TYR 623 H 0.18 0.61 -0.15 -0.55 8.29 8.38 3n9mC1 TYR 623 HA -0.03 0.06 0.39 -0.75 4.56 4.24 3n9mC1 TYR 623 HB2 -0.09 0.21 0.15 -0.04 3.06 3.29 3n9mC1 TYR 623 HB3 -0.08 -0.02 0.13 -0.04 2.98 2.97 3n9mC1 TYR 623 HD2 -0.03 0.04 -0.10 -0.04 7.15 7.02 3n9mC1 TYR 623 HE2 0.01 0.02 -0.02 -0.04 6.85 6.82 3n9mC1 MET 624 H 0.14 0.69 -0.07 -0.55 8.47 8.69 3n9mC1 MET 624 HA 0.07 -0.12 0.40 -0.75 4.52 4.12 3n9mC1 MET 624 HB2 -0.01 0.01 0.14 -0.04 2.15 2.24 3n9mC1 MET 624 HB3 0.08 0.15 0.16 -0.04 2.03 2.38 3n9mC1 MET 624 HG2 -0.01 -0.00 -0.05 -0.04 2.63 2.53 3n9mC1 MET 624 HG3 0.07 0.01 -0.21 -0.04 2.56 2.39 3n9mC1 MET 624 HE3 -0.10 0.03 0.00 -0.04 2.10 1.99 3n9mC1 ARG 625 H 0.10 0.50 -0.42 -0.55 8.46 8.08 3n9mC1 ARG 625 HA 0.06 -0.01 0.44 -0.75 4.34 4.08 3n9mC1 ARG 625 HB2 0.15 -0.00 0.07 -0.04 1.90 2.08 3n9mC1 ARG 625 HB3 0.08 0.07 0.14 -0.04 1.80 2.05 3n9mC1 ARG 625 HG2 0.04 -0.03 -0.06 -0.04 1.67 1.58 3n9mC1 ARG 625 HG3 0.07 -0.05 0.00 -0.04 1.67 1.65 3n9mC1 ARG 625 HD2 0.02 0.06 -0.09 -0.04 3.22 3.18 3n9mC1 ARG 625 HD3 0.02 -0.02 -0.08 -0.04 3.22 3.11 3n9mC1 ASN 626 H -0.04 0.80 0.12 -0.55 8.53 8.86 3n9mC1 ASN 626 HA -0.05 0.07 0.50 -0.75 4.76 4.52 3n9mC1 ASN 626 HB2 -0.14 0.06 0.07 -0.04 2.88 2.83 3n9mC1 ASN 626 HB3 -0.11 -0.00 0.09 -0.04 2.79 2.73 3n9mC1 ASN 626 HD21 -0.09 -0.04 0.02 -0.04 7.03 6.87 3n9mC1 ASN 626 HD22 -0.15 0.06 0.00 -0.04 7.74 7.61 3n9mC1 VAL 627 H -0.17 0.40 -0.25 -0.55 8.24 7.67 3n9mC1 VAL 627 HA -0.16 0.25 1.02 -0.75 4.13 4.48 3n9mC1 VAL 627 HB -0.81 -0.08 0.15 -0.04 2.12 1.35 3n9mC1 VAL 627 HG13 -0.24 -0.01 -0.10 -0.04 0.97 0.57 3n9mC1 VAL 627 HG23 -0.61 0.02 -0.15 -0.04 0.95 0.17 3n9mC1 LEU 628 H -0.13 0.29 0.09 -0.55 8.37 8.07 3n9mC1 LEU 628 HA 0.03 0.01 0.37 -0.75 4.35 4.01 3n9mC1 LEU 628 HB2 0.05 0.04 0.21 -0.04 1.64 1.90 3n9mC1 LEU 628 HB3 0.04 0.01 0.02 -0.04 1.64 1.67 3n9mC1 LEU 628 HG 0.07 0.04 0.03 -0.04 1.64 1.74 3n9mC1 LEU 628 HD13 0.14 -0.01 -0.01 -0.04 0.93 1.01 3n9mC1 LEU 628 HD23 0.20 0.00 -0.07 -0.04 0.89 0.98 3n9mC1 LEU 629 H 0.01 0.76 0.08 -0.55 8.37 8.67 3n9mC1 LEU 629 HA 0.05 -0.05 0.36 -0.75 4.35 3.95 3n9mC1 LEU 629 HB2 0.04 0.39 0.27 -0.04 1.64 2.29 3n9mC1 LEU 629 HB3 0.02 0.11 0.06 -0.04 1.64 1.80 3n9mC1 LEU 629 HG 0.06 -0.04 -0.04 -0.04 1.64 1.58 3n9mC1 LEU 629 HD13 0.04 -0.01 -0.04 -0.04 0.93 0.89 3n9mC1 LEU 629 HD23 0.05 0.00 -0.00 -0.04 0.89 0.90 3n9mC1 GLU 630 H -0.01 0.25 -0.45 -0.55 8.60 7.84 3n9mC1 GLU 630 HA 0.01 -0.01 0.40 -0.75 4.29 3.93 3n9mC1 GLU 630 HB2 -0.02 0.05 0.03 -0.04 2.09 2.11 3n9mC1 GLU 630 HB3 -0.03 0.19 -0.01 -0.04 1.99 2.10 3n9mC1 GLU 630 HG2 -0.01 -0.06 -0.27 -0.04 2.34 1.96 3n9mC1 GLU 630 HG3 -0.01 -0.06 0.03 -0.04 2.34 2.26 3n9mC1 LYS 631 H 0.01 0.54 -0.09 -0.55 8.42 8.32 3n9mC1 LYS 631 HA 0.02 0.02 0.52 -0.75 4.32 4.12 3n9mC1 LYS 631 HB2 0.05 0.15 0.19 -0.04 1.87 2.22 3n9mC1 LYS 631 HB3 0.05 -0.10 -0.00 -0.04 1.79 1.70 3n9mC1 LYS 631 HG2 -0.00 0.16 0.04 -0.04 1.46 1.62 3n9mC1 LYS 631 HG3 0.03 -0.08 -0.03 -0.04 1.46 1.34 3n9mC1 LYS 631 HD2 0.03 -0.06 0.01 -0.04 1.69 1.63 3n9mC1 LYS 631 HD3 0.01 -0.01 0.04 -0.04 1.68 1.68 3n9mC1 LYS 631 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.94 3n9mC1 LYS 631 HE3 -0.00 0.05 -0.01 -0.04 2.99 2.99 3n9mC1 ILE 632 H 0.07 0.60 -0.12 -0.55 8.25 8.25 3n9mC1 ILE 632 HA 0.09 -0.02 0.39 -0.75 4.18 3.88 3n9mC1 ILE 632 HB 0.10 0.15 0.13 -0.04 1.89 2.24 3n9mC1 ILE 632 HG12 0.33 -0.08 -0.03 -0.04 1.49 1.67 3n9mC1 ILE 632 HG13 0.15 0.17 0.01 -0.04 1.21 1.49 3n9mC1 ILE 632 HG23 0.17 -0.03 -0.19 -0.04 0.93 0.83 3n9mC1 ILE 632 HD13 0.17 -0.02 -0.08 -0.04 0.88 0.91 3n9mC1 THR 633 H 0.04 0.67 0.01 -0.55 8.28 8.45 3n9mC1 THR 633 HA 0.03 -0.00 0.46 -0.75 4.39 4.12 3n9mC1 THR 633 HB 0.01 0.06 0.14 -0.04 4.32 4.49 3n9mC1 THR 633 HG23 0.01 -0.02 -0.02 -0.04 1.22 1.16 3n9mC1 GLU 634 H 0.01 0.65 -0.09 -0.55 8.60 8.63 3n9mC1 GLU 634 HA -0.00 -0.01 0.40 -0.75 4.29 3.93 3n9mC1 GLU 634 HB2 0.01 0.12 0.20 -0.04 2.09 2.38 3n9mC1 GLU 634 HB3 -0.00 -0.07 0.00 -0.04 1.99 1.88 3n9mC1 GLU 634 HG2 -0.00 -0.07 0.06 -0.04 2.34 2.29 3n9mC1 GLU 634 HG3 0.00 0.18 0.14 -0.04 2.34 2.62 3n9mC1 ALA 635 H 0.01 0.55 -0.17 -0.55 8.40 8.24 3n9mC1 ALA 635 HA -0.02 -0.04 0.43 -0.75 4.34 3.95 3n9mC1 ALA 635 HB3 -0.03 0.03 0.10 -0.04 1.41 1.47 3n9mC1 ASN 636 H -0.01 0.60 -0.14 -0.55 8.53 8.43 3n9mC1 ASN 636 HA -0.04 -0.01 0.44 -0.75 4.76 4.40 3n9mC1 ASN 636 HB2 0.01 0.13 0.26 -0.04 2.88 3.24 3n9mC1 ASN 636 HB3 -0.00 -0.07 0.04 -0.04 2.79 2.71 3n9mC1 ASN 636 HD21 0.05 0.32 0.17 -0.04 7.03 7.53 3n9mC1 ASN 636 HD22 0.03 -0.07 0.01 -0.04 7.74 7.67 3n9mC1 GLN 637 H -0.01 0.50 -0.20 -0.55 8.47 8.21 3n9mC1 GLN 637 HA -0.01 0.03 0.43 -0.75 4.36 4.06 3n9mC1 GLN 637 HB2 -0.01 0.11 0.17 -0.04 2.15 2.39 3n9mC1 GLN 637 HB3 -0.01 -0.06 0.03 -0.04 2.02 1.94 3n9mC1 GLN 637 HG2 -0.00 -0.05 0.02 -0.04 2.40 2.32 3n9mC1 GLN 637 HG3 0.00 0.18 0.02 -0.04 2.39 2.54 3n9mC1 GLN 637 HE21 0.00 -0.02 -0.03 -0.04 6.97 6.88 3n9mC1 GLN 637 HE22 0.00 -0.02 -0.03 -0.04 7.69 7.61 3n9mC1 GLU 638 H -0.02 0.38 -0.07 -0.55 8.60 8.35 3n9mC1 GLU 638 HA -0.01 0.20 0.90 -0.75 4.29 4.62 3n9mC1 GLU 638 HB2 -0.01 -0.03 0.17 -0.04 2.09 2.17 3n9mC1 GLU 638 HB3 -0.01 -0.03 0.04 -0.04 1.99 1.96 3n9mC1 GLU 638 HG2 -0.01 0.19 0.07 -0.04 2.34 2.54 3n9mC1 GLU 638 HG3 -0.02 -0.04 -0.08 -0.04 2.34 2.16 3n9mC1 GLY 639 H -0.02 0.27 -0.61 -0.55 8.43 7.51 3n9mC1 GLY 639 HA2 -0.04 0.04 0.26 -0.51 4.01 3.77 3n9mC1 GLY 639 HA3 -0.03 -0.01 0.26 -0.51 4.01 3.71 3n9mC1 SER 640 H -0.04 0.61 -0.04 -0.55 8.46 8.44 3n9mC1 SER 640 HA -0.05 0.11 0.66 -0.75 4.49 4.46 3n9mC1 SER 640 HB2 -0.04 -0.05 0.07 -0.04 3.95 3.88 3n9mC1 SER 640 HB3 -0.05 -0.08 -0.12 -0.04 3.93 3.64 3n9mC1 ASP 641 H -0.07 0.21 0.13 -0.55 8.40 8.11 3n9mC1 ASP 641 HA -0.19 0.14 0.67 -0.75 4.63 4.49 3n9mC1 ASP 641 HB2 -0.10 0.18 0.05 -0.04 2.71 2.80 3n9mC1 ASP 641 HB3 -0.08 -0.02 0.22 -0.04 2.70 2.79 3n9mC1 MET 642 H -0.30 0.32 0.07 -0.55 8.47 8.01 3n9mC1 MET 642 HA -0.08 0.04 0.11 -0.75 4.52 3.84 3n9mC1 MET 642 HB2 -0.42 0.03 0.03 -0.04 2.15 1.74 3n9mC1 MET 642 HB3 0.00 0.01 0.01 -0.04 2.03 2.01 3n9mC1 MET 642 HG2 -0.04 -0.00 -0.02 -0.04 2.63 2.53 3n9mC1 MET 642 HG3 -0.17 0.14 0.03 -0.04 2.56 2.52 3n9mC1 MET 642 HE3 0.15 0.01 -0.12 -0.04 2.10 2.10 3n9mC1 ARG 643 H -0.18 0.13 -0.62 -0.55 8.46 7.24 3n9mC1 ARG 643 HA 0.01 0.02 0.47 -0.75 4.34 4.09 3n9mC1 ARG 643 HB2 -0.06 0.06 -0.03 -0.04 1.90 1.84 3n9mC1 ARG 643 HB3 0.00 0.04 0.05 -0.04 1.80 1.85 3n9mC1 ARG 643 HG2 0.04 0.04 -0.01 -0.04 1.67 1.70 3n9mC1 ARG 643 HG3 -0.13 -0.08 -0.08 -0.04 1.67 1.35 3n9mC1 ARG 643 HD2 -0.27 0.00 -0.03 -0.04 3.22 2.88 3n9mC1 ARG 643 HD3 -0.15 -0.01 -0.03 -0.04 3.22 3.00 3n9mC1 GLU 644 H -0.05 0.52 -0.10 -0.55 8.60 8.42 3n9mC1 GLU 644 HA -0.01 0.09 0.40 -0.75 4.29 4.02 3n9mC1 GLU 644 HB2 -0.02 -0.04 0.06 -0.04 2.09 2.05 3n9mC1 GLU 644 HB3 -0.02 0.02 0.07 -0.04 1.99 2.02 3n9mC1 GLU 644 HG2 -0.05 0.01 0.19 -0.04 2.34 2.45 3n9mC1 GLU 644 HG3 -0.04 -0.03 0.13 -0.04 2.34 2.36 3n9mC1 GLN 645 H -0.01 -0.01 -0.13 -0.55 8.47 7.78 3n9mC1 GLN 645 HA 0.01 0.26 0.94 -0.75 4.36 4.81 3n9mC1 GLN 645 HB2 0.00 -0.01 -0.05 -0.04 2.15 2.05 3n9mC1 GLN 645 HB3 0.01 0.02 0.07 -0.04 2.02 2.08 3n9mC1 GLN 645 HG2 -0.01 -0.10 -0.43 -0.04 2.40 1.82 3n9mC1 GLN 645 HG3 -0.00 0.02 -0.09 -0.04 2.39 2.28 3n9mC1 GLN 645 HE21 0.00 -0.01 0.00 -0.04 6.97 6.92 3n9mC1 GLN 645 HE22 -0.00 -0.04 -0.07 -0.04 7.69 7.54 3n9mC1 GLU 646 H 0.02 0.28 -0.01 -0.55 8.60 8.34 3n9mC1 GLU 646 HA 0.06 0.19 0.88 -0.75 4.29 4.67 3n9mC1 GLU 646 HB2 0.04 0.02 0.12 -0.04 2.09 2.22 3n9mC1 GLU 646 HB3 0.08 -0.11 0.21 -0.04 1.99 2.13 3n9mC1 GLU 646 HG2 0.04 0.06 -0.01 -0.04 2.34 2.39 3n9mC1 GLU 646 HG3 0.02 -0.03 -0.36 -0.04 2.34 1.94 3n9mC1 LYS 647 H 0.06 0.23 -0.13 -0.55 8.42 8.03 3n9mC1 LYS 647 HA 0.17 0.04 0.35 -0.75 4.32 4.13 3n9mC1 LYS 647 HB2 0.06 0.27 0.17 -0.04 1.87 2.33 3n9mC1 LYS 647 HB3 0.07 -0.03 0.10 -0.04 1.79 1.89 3n9mC1 LYS 647 HG2 0.12 -0.04 -0.13 -0.04 1.46 1.36 3n9mC1 LYS 647 HG3 0.17 -0.06 0.06 -0.04 1.46 1.58 3n9mC1 LYS 647 HD2 0.06 0.11 0.05 -0.04 1.69 1.87 3n9mC1 LYS 647 HD3 0.06 0.02 0.00 -0.04 1.68 1.72 3n9mC1 LYS 647 HE2 0.08 -0.02 -0.02 -0.04 2.99 2.99 3n9mC1 LYS 647 HE3 0.10 -0.03 0.00 -0.04 2.99 3.02 3n9mC1 ASN 648 H 0.08 0.17 -0.12 -0.55 8.53 8.12 3n9mC1 ASN 648 HA 0.07 0.07 0.33 -0.75 4.76 4.48 3n9mC1 ASN 648 HB2 0.07 0.02 -0.03 -0.04 2.88 2.90 3n9mC1 ASN 648 HB3 0.06 0.07 0.07 -0.04 2.79 2.95 3n9mC1 ASN 648 HD21 0.07 0.08 -0.03 -0.04 7.03 7.11 3n9mC1 ASN 648 HD22 0.08 0.01 -0.16 -0.04 7.74 7.64 3n9mC1 ILE 649 H 0.11 0.13 -0.44 -0.55 8.25 7.50 3n9mC1 ILE 649 HA 0.10 0.06 0.53 -0.75 4.18 4.11 3n9mC1 ILE 649 HB 0.13 0.15 0.11 -0.04 1.89 2.24 3n9mC1 ILE 649 HG12 0.09 -0.05 0.01 -0.04 1.49 1.50 3n9mC1 ILE 649 HG13 0.08 0.06 0.01 -0.04 1.21 1.32 3n9mC1 ILE 649 HG23 0.12 -0.01 -0.11 -0.04 0.93 0.89 3n9mC1 ILE 649 HD13 0.10 0.00 -0.06 -0.04 0.88 0.89 3n9mC1 TRP 650 H 0.29 0.55 -0.02 -0.55 7.97 8.25 3n9mC1 TRP 650 HA 0.01 0.02 0.44 -0.75 4.62 4.33 3n9mC1 TRP 650 HB2 0.01 -0.02 0.04 -0.04 3.23 3.22 3n9mC1 TRP 650 HB3 0.01 0.12 0.19 -0.04 3.23 3.50 3n9mC1 TRP 650 HD1 0.00 0.01 -0.08 -0.04 7.22 7.12 3n9mC1 TRP 650 HE1 -0.00 0.03 -0.07 -0.04 10.20 10.12 3n9mC1 TRP 650 HE3 0.00 -0.00 0.02 -0.04 7.59 7.57 3n9mC1 TRP 650 HZ2 -0.00 0.04 -0.04 -0.04 7.44 7.39 3n9mC1 TRP 650 HZ3 0.00 0.00 0.01 -0.04 7.13 7.10 3n9mC1 TRP 650 HH2 -0.00 0.21 0.06 -0.04 7.19 7.42 3n9mC1 THR 651 H 0.12 0.66 0.05 -0.55 8.28 8.56 3n9mC1 THR 651 HA -0.37 0.03 0.35 -0.75 4.39 3.64 3n9mC1 THR 651 HB -0.06 -0.01 0.08 -0.04 4.32 4.30 3n9mC1 THR 651 HG23 0.12 0.10 0.00 -0.04 1.22 1.39 3n9mC1 ALA 652 H -0.02 0.36 -0.44 -0.55 8.40 7.75 3n9mC1 ALA 652 HA -0.07 0.01 0.56 -0.75 4.34 4.08 3n9mC1 ALA 652 HB3 0.00 0.04 0.15 -0.04 1.41 1.56 3n9mC1 SER 653 H -0.11 0.52 -0.18 -0.55 8.46 8.14 3n9mC1 SER 653 HA -0.09 -0.02 0.49 -0.75 4.49 4.11 3n9mC1 SER 653 HB2 -0.25 0.18 0.20 -0.04 3.95 4.04 3n9mC1 SER 653 HB3 -0.11 -0.07 0.03 -0.04 3.93 3.73 3n9mC1 GLN 654 H -0.46 0.45 -0.12 -0.55 8.47 7.79 3n9mC1 GLN 654 HA -0.33 0.04 0.44 -0.75 4.36 3.75 3n9mC1 GLN 654 HB2 -0.39 0.10 0.14 -0.04 2.15 1.97 3n9mC1 GLN 654 HB3 -0.29 -0.02 -0.00 -0.04 2.02 1.67 3n9mC1 GLN 654 HG2 -0.62 -0.01 0.00 -0.04 2.40 1.73 3n9mC1 GLN 654 HG3 -1.30 0.08 0.03 -0.04 2.39 1.16 3n9mC1 GLN 654 HE21 0.03 -0.00 -0.03 -0.04 6.97 6.92 3n9mC1 GLN 654 HE22 -0.17 0.01 -0.03 -0.04 7.69 7.46 3n9mC1 ILE 655 H -0.20 0.48 -0.13 -0.55 8.25 7.85 3n9mC1 ILE 655 HA -0.14 0.04 0.44 -0.75 4.18 3.77 3n9mC1 ILE 655 HB -0.12 0.07 0.17 -0.04 1.89 1.97 3n9mC1 ILE 655 HG12 -0.09 -0.04 0.04 -0.04 1.49 1.37 3n9mC1 ILE 655 HG13 -0.13 0.19 0.14 -0.04 1.21 1.37 3n9mC1 ILE 655 HG23 -0.10 -0.03 -0.12 -0.04 0.93 0.65 3n9mC1 ILE 655 HD13 -0.06 -0.02 0.01 -0.04 0.88 0.76 3n9mC1 MET 656 H -0.16 0.61 -0.08 -0.55 8.47 8.30 3n9mC1 MET 656 HA -0.26 -0.00 0.41 -0.75 4.52 3.91 3n9mC1 MET 656 HB2 -0.12 0.07 0.15 -0.04 2.15 2.21 3n9mC1 MET 656 HB3 -0.14 0.06 0.10 -0.04 2.03 2.02 3n9mC1 MET 656 HG2 -0.28 -0.03 -0.04 -0.04 2.63 2.23 3n9mC1 MET 656 HG3 -0.14 -0.04 0.06 -0.04 2.56 2.40 3n9mC1 MET 656 HE3 -0.10 0.00 -0.01 -0.04 2.10 1.95 3n9mC1 LYS 657 H -0.20 0.57 -0.25 -0.55 8.42 7.98 3n9mC1 LYS 657 HA -0.24 -0.01 0.44 -0.75 4.32 3.75 3n9mC1 LYS 657 HB2 -0.14 0.03 0.10 -0.04 1.87 1.82 3n9mC1 LYS 657 HB3 -0.17 0.11 0.15 -0.04 1.79 1.84 3n9mC1 LYS 657 HG2 -0.11 -0.01 -0.24 -0.04 1.46 1.05 3n9mC1 LYS 657 HG3 -0.09 -0.06 0.00 -0.04 1.46 1.28 3n9mC1 LYS 657 HD2 -0.05 -0.03 -0.13 -0.04 1.69 1.44 3n9mC1 LYS 657 HD3 -0.11 0.03 -0.06 -0.04 1.68 1.50 3n9mC1 LYS 657 HE2 -0.01 -0.01 -0.04 -0.04 2.99 2.89 3n9mC1 LYS 657 HE3 -0.01 0.01 -0.05 -0.04 2.99 2.89 3n9mC1 ALA 658 H -0.19 0.54 -0.16 -0.55 8.40 8.04 3n9mC1 ALA 658 HA -0.13 0.01 0.44 -0.75 4.34 3.90 3n9mC1 ALA 658 HB3 -0.12 0.04 0.13 -0.04 1.41 1.41 3n9mC1 GLU 659 H -0.30 0.49 -0.13 -0.55 8.60 8.12 3n9mC1 GLU 659 HA -0.27 0.03 0.46 -0.75 4.29 3.75 3n9mC1 GLU 659 HB2 -0.26 0.02 0.11 -0.04 2.09 1.92 3n9mC1 GLU 659 HB3 -0.64 0.10 0.13 -0.04 1.99 1.54 3n9mC1 GLU 659 HG2 -0.30 -0.02 -0.04 -0.04 2.34 1.94 3n9mC1 GLU 659 HG3 -1.15 -0.04 -0.19 -0.04 2.34 0.92 3n9mC1 MET 660 H -0.67 0.58 -0.14 -0.55 8.47 7.69 3n9mC1 MET 660 HA -1.19 -0.02 0.41 -0.75 4.52 2.96 3n9mC1 MET 660 HB2 -0.52 0.12 0.15 -0.04 2.15 1.85 3n9mC1 MET 660 HB3 -0.74 -0.07 0.04 -0.04 2.03 1.21 3n9mC1 MET 660 HG2 -1.22 -0.08 -0.02 -0.04 2.63 1.26 3n9mC1 MET 660 HG3 -1.25 0.02 0.04 -0.04 2.56 1.32 3n9mC1 MET 660 HE3 -0.89 -0.01 -0.06 -0.04 2.10 1.10 3n9mC1 GLU 661 H -0.24 0.56 -0.29 -0.55 8.60 8.09 3n9mC1 GLU 661 HA 0.03 -0.00 0.56 -0.75 4.29 4.12 3n9mC1 GLU 661 HB2 -0.08 0.21 0.22 -0.04 2.09 2.40 3n9mC1 GLU 661 HB3 -0.02 -0.07 0.04 -0.04 1.99 1.90 3n9mC1 GLU 661 HG2 -0.09 0.30 0.09 -0.04 2.34 2.60 3n9mC1 GLU 661 HG3 -0.06 -0.05 0.00 -0.04 2.34 2.19 3n9mC1 ARG 662 H -0.11 0.50 -0.03 -0.55 8.46 8.26 3n9mC1 ARG 662 HA 0.05 -0.01 0.41 -0.75 4.34 4.04 3n9mC1 ARG 662 HB2 -0.03 -0.00 0.14 -0.04 1.90 1.97 3n9mC1 ARG 662 HB3 -0.05 0.20 0.17 -0.04 1.80 2.08 3n9mC1 ARG 662 HG2 0.17 -0.01 -0.14 -0.04 1.67 1.65 3n9mC1 ARG 662 HG3 0.05 -0.04 0.07 -0.04 1.67 1.71 3n9mC1 ARG 662 HD2 -0.05 -0.01 0.01 -0.04 3.22 3.12 3n9mC1 ARG 662 HD3 -0.00 0.01 -0.00 -0.04 3.22 3.18 3n9mC1 TRP 663 H 0.06 0.27 -0.55 -0.55 7.97 7.20 3n9mC1 TRP 663 HA 0.11 0.06 0.56 -0.75 4.62 4.60 3n9mC1 TRP 663 HB2 0.14 0.19 0.15 -0.04 3.23 3.67 3n9mC1 TRP 663 HB3 0.26 -0.09 -0.00 -0.04 3.23 3.36 3n9mC1 TRP 663 HD1 0.12 -0.01 -0.17 -0.04 7.22 7.11 3n9mC1 TRP 663 HE1 0.29 -0.01 -0.08 -0.04 10.20 10.37 3n9mC1 TRP 663 HE3 -0.33 0.02 -0.02 -0.04 7.59 7.23 3n9mC1 TRP 663 HZ2 -0.14 0.01 -0.08 -0.04 7.44 7.18 3n9mC1 TRP 663 HZ3 -0.57 0.04 0.01 -0.04 7.13 6.57 3n9mC1 TRP 663 HH2 -0.79 0.02 -0.07 -0.04 7.19 6.30 3n9mC1 MET 664 H 0.31 0.57 0.03 -0.55 8.47 8.83 3n9mC1 MET 664 HA 0.28 -0.02 0.47 -0.75 4.52 4.50 3n9mC1 MET 664 HB2 0.19 0.13 0.28 -0.04 2.15 2.71 3n9mC1 MET 664 HB3 0.16 -0.04 0.01 -0.04 2.03 2.13 3n9mC1 MET 664 HG2 0.64 0.01 0.05 -0.04 2.63 3.29 3n9mC1 MET 664 HG3 0.36 -0.00 0.03 -0.04 2.56 2.90 3n9mC1 MET 664 HE3 0.12 -0.01 0.01 -0.04 2.10 2.17 3n9mC1 ASP 665 H 0.13 0.71 -0.01 -0.55 8.40 8.68 3n9mC1 ASP 665 HA 0.07 0.01 0.39 -0.75 4.63 4.36 3n9mC1 ASP 665 HB2 0.06 0.01 0.06 -0.04 2.71 2.80 3n9mC1 ASP 665 HB3 0.07 0.08 0.07 -0.04 2.70 2.87 3n9mC1 ARG 666 H 0.15 0.38 -0.39 -0.55 8.46 8.05 3n9mC1 ARG 666 HA 0.06 0.03 0.43 -0.75 4.34 4.10 3n9mC1 ARG 666 HB2 0.11 0.05 0.15 -0.04 1.90 2.16 3n9mC1 ARG 666 HB3 0.16 0.11 0.18 -0.04 1.80 2.21 3n9mC1 ARG 666 HG2 0.05 0.01 -0.14 -0.04 1.67 1.54 3n9mC1 ARG 666 HG3 0.04 -0.02 0.03 -0.04 1.67 1.68 3n9mC1 ARG 666 HD2 0.01 -0.02 -0.03 -0.04 3.22 3.14 3n9mC1 ARG 666 HD3 0.08 -0.01 0.01 -0.04 3.22 3.26 3n9mC1 GLU 667 H 0.13 0.39 -0.32 -0.55 8.60 8.26 3n9mC1 GLU 667 HA 0.05 0.23 0.29 -0.75 4.29 4.11 3n9mC1 GLU 667 HB2 0.14 0.09 0.11 -0.04 2.09 2.38 3n9mC1 GLU 667 HB3 0.10 0.08 0.10 -0.04 1.99 2.23 3n9mC1 GLU 667 HG2 0.03 -0.03 -0.11 -0.04 2.34 2.19 3n9mC1 GLU 667 HG3 0.04 -0.01 -0.26 -0.04 2.34 2.07 3n9mC1 LEU 668 H 0.07 0.45 -0.15 -0.55 8.37 8.19 3n9mC1 LEU 668 HA 0.03 0.05 0.52 -0.75 4.35 4.20 3n9mC1 LEU 668 HB2 0.05 0.07 0.08 -0.04 1.64 1.79 3n9mC1 LEU 668 HB3 0.03 -0.04 0.08 -0.04 1.64 1.67 3n9mC1 LEU 668 HG 0.07 0.31 0.06 -0.04 1.64 2.04 3n9mC1 LEU 668 HD13 0.05 -0.03 -0.04 -0.04 0.93 0.87 3n9mC1 LEU 668 HD23 0.03 -0.03 -0.06 -0.04 0.89 0.80 3n9mC1 ARG 669 H 0.04 0.28 -0.28 -0.55 8.46 7.95 3n9mC1 ARG 669 HA 0.02 0.12 0.78 -0.75 4.34 4.50 3n9mC1 ARG 669 HB2 0.03 0.08 0.10 -0.04 1.90 2.07 3n9mC1 ARG 669 HB3 0.02 -0.04 0.03 -0.04 1.80 1.76 3n9mC1 ARG 669 HG2 0.02 -0.04 -0.00 -0.04 1.67 1.60 3n9mC1 ARG 669 HG3 0.03 0.04 -0.01 -0.04 1.67 1.69 3n9mC1 ARG 669 HD2 0.02 -0.04 -0.01 -0.04 3.22 3.14 3n9mC1 ARG 669 HD3 0.02 -0.07 -0.03 -0.04 3.22 3.10 3n9mC1 LEU 670 H 0.03 0.28 -0.07 -0.55 8.37 8.06 3n9mC1 LEU 670 HA 0.01 0.16 0.94 -0.75 4.35 4.71 3n9mC1 LEU 670 HB2 0.01 0.15 0.06 -0.04 1.64 1.82 3n9mC1 LEU 670 HB3 0.00 -0.07 0.12 -0.04 1.64 1.65 3n9mC1 LEU 670 HG 0.02 0.00 -0.05 -0.04 1.64 1.57 3n9mC1 LEU 670 HD13 0.00 -0.02 -0.00 -0.04 0.93 0.86 3n9mC1 LEU 670 HD23 0.00 0.05 -0.24 -0.04 0.89 0.67 3n9mC1 GLY 671 H 0.02 0.17 -0.12 -0.55 8.43 7.95 3n9mC1 GLY 671 HA2 0.01 0.03 0.41 -0.51 4.01 3.95 3n9mC1 GLY 671 HA3 0.01 0.09 0.64 -0.51 4.01 4.24 3n9mC1 PRO 672 HA 0.02 -0.05 0.47 -0.51 4.44 4.37 3n9mC1 PRO 672 HB2 -0.01 0.15 -0.01 -0.04 2.28 2.37 3n9mC1 PRO 672 HB3 -0.01 -0.07 0.10 -0.04 2.02 2.00 3n9mC1 PRO 672 HG2 -0.01 -0.00 0.10 -0.04 2.03 2.07 3n9mC1 PRO 672 HG3 -0.00 -0.04 0.10 -0.04 2.03 2.05 3n9mC1 PRO 672 HD2 -0.00 0.13 0.20 -0.04 3.68 3.97 3n9mC1 PRO 672 HD3 0.00 0.12 0.24 -0.04 3.65 3.98 3n9mC1 GLU 673 H 0.00 0.01 0.14 -0.55 8.60 8.21 3n9mC1 GLU 673 HA -0.01 0.13 0.45 -0.75 4.29 4.10 3n9mC1 GLU 673 HB2 -0.01 -0.02 0.15 -0.04 2.09 2.17 3n9mC1 GLU 673 HB3 -0.01 -0.21 -0.03 -0.04 1.99 1.70 3n9mC1 GLU 673 HG2 -0.04 -0.04 0.06 -0.04 2.34 2.28 3n9mC1 GLU 673 HG3 -0.03 -0.01 0.10 -0.04 2.34 2.35 3n9mC1 LYS 674 H -0.01 0.12 0.14 -0.55 8.42 8.12 3n9mC1 LYS 674 HA -0.01 0.14 0.40 -0.75 4.32 4.11 3n9mC1 LYS 674 HB2 -0.01 -0.09 0.12 -0.04 1.87 1.85 3n9mC1 LYS 674 HB3 -0.00 0.03 -0.00 -0.04 1.79 1.78 3n9mC1 LYS 674 HG2 -0.01 0.06 0.06 -0.04 1.46 1.53 3n9mC1 LYS 674 HG3 -0.01 -0.01 0.09 -0.04 1.46 1.49 3n9mC1 LYS 674 HD2 -0.00 0.02 0.02 -0.04 1.69 1.69 3n9mC1 LYS 674 HD3 -0.00 -0.01 0.02 -0.04 1.68 1.65 3n9mC1 LYS 674 HE2 -0.00 -0.01 -0.01 -0.04 2.99 2.93 3n9mC1 LYS 674 HE3 -0.00 0.01 0.02 -0.04 2.99 2.98 3n9mC1 ASN 675 H -0.00 -0.05 -0.21 -0.55 8.53 7.71 3n9mC1 ASN 675 HA 0.00 0.13 0.38 -0.75 4.76 4.52 3n9mC1 ASN 675 HB2 0.02 0.02 0.08 -0.04 2.88 2.95 3n9mC1 ASN 675 HB3 0.01 0.06 0.06 -0.04 2.79 2.88 3n9mC1 ASN 675 HD21 -0.02 0.05 0.06 -0.04 7.03 7.08 3n9mC1 ASN 675 HD22 0.01 -0.04 0.08 -0.04 7.74 7.75 3n9mC1 ALA 676 H 0.01 -0.03 -0.00 -0.55 8.40 7.83 3n9mC1 ALA 676 HA 0.02 -0.06 0.30 -0.75 4.34 3.84 3n9mC1 ALA 676 HB3 -0.01 0.13 -0.10 -0.04 1.41 1.39 3n9mC1 ILE 677 H 0.00 0.23 0.17 -0.55 8.25 8.10 3n9mC1 ILE 677 HA 0.01 0.07 0.40 -0.75 4.18 3.91 3n9mC1 ILE 677 HB 0.06 -0.10 -0.23 -0.04 1.89 1.57 3n9mC1 ILE 677 HG12 0.03 -0.05 -0.17 -0.04 1.49 1.26 3n9mC1 ILE 677 HG13 0.06 0.30 0.28 -0.04 1.21 1.81 3n9mC1 ILE 677 HG23 0.06 -0.02 -0.07 -0.04 0.93 0.86 3n9mC1 ILE 677 HD13 0.06 -0.03 0.02 -0.04 0.88 0.89 3n9mC1 LEU 678 H -0.02 0.07 -0.24 -0.55 8.37 7.64 3n9mC1 LEU 678 HA -0.05 0.27 0.96 -0.75 4.35 4.77 3n9mC1 LEU 678 HB2 -0.06 -0.04 -0.04 -0.04 1.64 1.46 3n9mC1 LEU 678 HB3 -0.29 -0.04 -0.07 -0.04 1.64 1.21 3n9mC1 LEU 678 HG -0.03 0.01 -0.06 -0.04 1.64 1.53 3n9mC1 LEU 678 HD13 -0.42 -0.00 -0.15 -0.04 0.93 0.32 3n9mC1 LEU 678 HD23 -0.05 0.04 0.07 -0.04 0.89 0.91 3n9mC1 PRO 679 HA -0.06 0.11 0.43 -0.51 4.44 4.41 3n9mC1 PRO 679 HB2 -0.07 -0.27 0.11 -0.04 2.28 2.02 3n9mC1 PRO 679 HB3 -0.04 0.09 0.12 -0.04 2.02 2.15 3n9mC1 PRO 679 HG2 -0.04 0.07 0.10 -0.04 2.03 2.12 3n9mC1 PRO 679 HG3 -0.03 0.13 0.05 -0.04 2.03 2.14 3n9mC1 PRO 679 HD2 -0.07 0.07 0.22 -0.04 3.68 3.86 3n9mC1 PRO 679 HD3 -0.04 0.41 0.19 -0.04 3.65 4.17 3n9mC1 THR 680 H -0.06 0.24 0.19 -0.55 8.28 8.10 3n9mC1 THR 680 HA -0.13 0.09 0.37 -0.75 4.39 3.97 3n9mC1 THR 680 HB -0.03 0.00 0.05 -0.04 4.32 4.30 3n9mC1 THR 680 HG23 -0.01 0.02 -0.01 -0.04 1.22 1.18 3n9mC1 ASP 681 H -0.06 0.04 -0.38 -0.55 8.40 7.45 3n9mC1 ASP 681 HA -0.04 0.12 0.45 -0.75 4.63 4.41 3n9mC1 ASP 681 HB2 -0.03 0.05 0.06 -0.04 2.71 2.75 3n9mC1 ASP 681 HB3 -0.04 -0.07 0.08 -0.04 2.70 2.63 3n9mC1 ASP 682 H -0.08 0.10 -0.07 -0.55 8.40 7.80 3n9mC1 ASP 682 HA -0.06 0.05 0.32 -0.75 4.63 4.20 3n9mC1 ASP 682 HB2 -0.12 0.06 0.11 -0.04 2.71 2.72 3n9mC1 ASP 682 HB3 -0.09 0.04 -0.04 -0.04 2.70 2.57 3n9mC1 LYS 683 H -0.29 0.53 -0.30 -0.55 8.42 7.80 3n9mC1 LYS 683 HA -0.80 0.03 0.37 -0.75 4.32 3.17 3n9mC1 LYS 683 HB2 -0.38 0.10 0.07 -0.04 1.87 1.61 3n9mC1 LYS 683 HB3 -1.05 -0.02 -0.04 -0.04 1.79 0.64 3n9mC1 LYS 683 HG2 -1.59 -0.05 -0.08 -0.04 1.46 -0.30 3n9mC1 LYS 683 HG3 -0.54 0.18 -0.28 -0.04 1.46 0.78 3n9mC1 LYS 683 HD2 -0.25 -0.00 -0.09 -0.04 1.69 1.31 3n9mC1 LYS 683 HD3 -0.53 -0.02 -0.07 -0.04 1.68 1.02 3n9mC1 LYS 683 HE2 -0.55 -0.07 -0.09 -0.04 2.99 2.24 3n9mC1 LYS 683 HE3 -0.23 0.30 -0.07 -0.04 2.99 2.95 3n9mC1 ASN 684 H -0.12 0.57 -0.13 -0.55 8.53 8.30 3n9mC1 ASN 684 HA 0.05 -0.01 0.43 -0.75 4.76 4.47 3n9mC1 ASN 684 HB2 -0.02 0.16 0.20 -0.04 2.88 3.18 3n9mC1 ASN 684 HB3 -0.01 0.05 0.08 -0.04 2.79 2.88 3n9mC1 ASN 684 HD21 0.03 -0.01 -0.01 -0.04 7.03 7.00 3n9mC1 ASN 684 HD22 0.01 0.01 -0.01 -0.04 7.74 7.71 3n9mC1 LYS 685 H -0.04 0.53 -0.24 -0.55 8.42 8.12 3n9mC1 LYS 685 HA 0.02 0.04 0.56 -0.75 4.32 4.18 3n9mC1 LYS 685 HB2 -0.02 0.06 0.08 -0.04 1.87 1.95 3n9mC1 LYS 685 HB3 0.01 -0.03 0.09 -0.04 1.79 1.81 3n9mC1 LYS 685 HG2 0.01 -0.02 0.01 -0.04 1.46 1.41 3n9mC1 LYS 685 HG3 -0.01 0.06 -0.05 -0.04 1.46 1.42 3n9mC1 LYS 685 HD2 -0.01 -0.04 -0.10 -0.04 1.69 1.49 3n9mC1 LYS 685 HD3 0.00 0.00 -0.01 -0.04 1.68 1.63 3n9mC1 LYS 685 HE2 0.00 0.01 -0.02 -0.04 2.99 2.93 3n9mC1 LYS 685 HE3 -0.00 -0.02 -0.05 -0.04 2.99 2.87 3n9mC1 ILE 686 H 0.04 0.40 -0.47 -0.55 8.25 7.67 3n9mC1 ILE 686 HA 0.10 0.12 0.87 -0.75 4.18 4.52 3n9mC1 ILE 686 HB 0.16 0.19 0.26 -0.04 1.89 2.46 3n9mC1 ILE 686 HG12 0.12 -0.03 0.03 -0.04 1.49 1.56 3n9mC1 ILE 686 HG13 0.05 0.07 -0.08 -0.04 1.21 1.21 3n9mC1 ILE 686 HG23 0.41 -0.02 -0.16 -0.04 0.93 1.11 3n9mC1 ILE 686 HD13 0.14 -0.01 -0.10 -0.04 0.88 0.86 3n9mC1 MET 687 H 0.19 0.58 0.16 -0.55 8.47 8.86 3n9mC1 MET 687 HA 0.19 0.04 0.39 -0.75 4.52 4.38 3n9mC1 MET 687 HB2 0.23 0.09 0.15 -0.04 2.15 2.59 3n9mC1 MET 687 HB3 0.16 -0.01 0.08 -0.04 2.03 2.22 3n9mC1 MET 687 HG2 0.72 0.01 -0.00 -0.04 2.63 3.32 3n9mC1 MET 687 HG3 0.37 0.01 -0.02 -0.04 2.56 2.88 3n9mC1 MET 687 HE3 0.06 -0.01 0.10 -0.04 2.10 2.21 3n9mC1 ILE 688 H 0.09 0.10 -0.81 -0.55 8.25 7.07 3n9mC1 ILE 688 HA 0.06 0.16 0.94 -0.75 4.18 4.58 3n9mC1 ILE 688 HB 0.05 0.17 0.08 -0.04 1.89 2.15 3n9mC1 ILE 688 HG12 0.04 -0.03 0.01 -0.04 1.49 1.47 3n9mC1 ILE 688 HG13 0.05 0.01 -0.13 -0.04 1.21 1.11 3n9mC1 ILE 688 HG23 0.03 -0.00 -0.17 -0.04 0.93 0.75 3n9mC1 ILE 688 HD13 0.04 0.07 -0.02 -0.04 0.88 0.93 3n9mC1 SER 689 H 0.06 0.26 -0.09 -0.55 8.46 8.14 3n9mC1 SER 689 HA 0.04 0.06 0.58 -0.75 4.49 4.42 3n9mC1 SER 689 HB2 0.04 0.10 0.19 -0.04 3.95 4.25 3n9mC1 SER 689 HB3 0.06 0.10 0.13 -0.04 3.93 4.18 3n9mC1 VAL 690 H 0.07 0.26 -0.41 -0.55 8.24 7.61 3n9mC1 VAL 690 HA 0.06 0.08 0.52 -0.75 4.13 4.04 3n9mC1 VAL 690 HB 0.07 0.03 0.03 -0.04 2.12 2.22 3n9mC1 VAL 690 HG13 0.01 -0.01 -0.22 -0.04 0.97 0.71 3n9mC1 VAL 690 HG23 0.07 0.02 -0.03 -0.04 0.95 0.97 3n9mC1 ARG 691 H 0.05 0.27 -0.25 -0.55 8.46 7.98 3n9mC1 ARG 691 HA 0.03 0.02 0.39 -0.75 4.34 4.03 3n9mC1 ARG 691 HB2 0.04 0.06 0.22 -0.04 1.90 2.18 3n9mC1 ARG 691 HB3 0.04 -0.02 0.01 -0.04 1.80 1.78 3n9mC1 ARG 691 HG2 0.03 -0.07 0.08 -0.04 1.67 1.67 3n9mC1 ARG 691 HG3 0.04 0.17 0.21 -0.04 1.67 2.04 3n9mC1 ARG 691 HD2 0.05 -0.02 0.13 -0.04 3.22 3.34 3n9mC1 ARG 691 HD3 0.03 -0.06 0.05 -0.04 3.22 3.20 3n9mC1 LYS 692 H 0.05 0.45 -0.38 -0.55 8.42 7.98 3n9mC1 LYS 692 HA 0.04 0.04 0.36 -0.75 4.32 4.00 3n9mC1 LYS 692 HB2 0.04 0.14 0.13 -0.04 1.87 2.14 3n9mC1 LYS 692 HB3 0.04 0.06 0.11 -0.04 1.79 1.95 3n9mC1 LYS 692 HG2 0.03 0.01 -0.00 -0.04 1.46 1.45 3n9mC1 LYS 692 HG3 0.03 -0.02 -0.11 -0.04 1.46 1.32 3n9mC1 LYS 692 HD2 0.03 -0.03 0.04 -0.04 1.69 1.69 3n9mC1 LYS 692 HD3 0.03 0.01 0.00 -0.04 1.68 1.68 3n9mC1 LYS 692 HE2 0.02 -0.00 -0.02 -0.04 2.99 2.95 3n9mC1 LYS 692 HE3 0.02 -0.00 -0.01 -0.04 2.99 2.95 3n9mC1 GLN 693 H 0.06 0.42 -0.12 -0.55 8.47 8.28 3n9mC1 GLN 693 HA 0.06 0.02 0.35 -0.75 4.36 4.03 3n9mC1 GLN 693 HB2 0.08 0.08 0.17 -0.04 2.15 2.44 3n9mC1 GLN 693 HB3 0.08 -0.06 -0.04 -0.04 2.02 1.96 3n9mC1 GLN 693 HG2 0.05 0.17 0.16 -0.04 2.40 2.73 3n9mC1 GLN 693 HG3 0.05 0.00 0.07 -0.04 2.39 2.47 3n9mC1 GLN 693 HE21 0.02 0.02 -0.02 -0.04 6.97 6.95 3n9mC1 GLN 693 HE22 0.03 -0.02 -0.04 -0.04 7.69 7.63 3n9mC1 ILE 694 H 0.11 0.62 -0.17 -0.55 8.25 8.25 3n9mC1 ILE 694 HA 0.43 -0.01 0.50 -0.75 4.18 4.35 3n9mC1 ILE 694 HB 0.08 0.19 0.09 -0.04 1.89 2.20 3n9mC1 ILE 694 HG12 0.02 -0.06 -0.01 -0.04 1.49 1.41 3n9mC1 ILE 694 HG13 0.13 -0.02 -0.02 -0.04 1.21 1.26 3n9mC1 ILE 694 HG23 0.11 -0.01 -0.18 -0.04 0.93 0.82 3n9mC1 ILE 694 HD13 -0.12 -0.01 -0.13 -0.04 0.88 0.58 3n9mC1 GLU 695 H 0.10 0.51 -0.22 -0.55 8.60 8.44 3n9mC1 GLU 695 HA 0.10 -0.01 0.47 -0.75 4.29 4.10 3n9mC1 GLU 695 HB2 0.06 0.03 0.14 -0.04 2.09 2.27 3n9mC1 GLU 695 HB3 0.05 0.18 0.23 -0.04 1.99 2.41 3n9mC1 GLU 695 HG2 0.03 -0.03 -0.02 -0.04 2.34 2.29 3n9mC1 GLU 695 HG3 0.04 -0.01 -0.22 -0.04 2.34 2.10 3n9mC1 ILE 696 H 0.06 0.57 -0.06 -0.55 8.25 8.27 3n9mC1 ILE 696 HA 0.02 0.04 0.50 -0.75 4.18 3.98 3n9mC1 ILE 696 HB 0.03 0.07 0.20 -0.04 1.89 2.15 3n9mC1 ILE 696 HG12 0.02 -0.03 0.03 -0.04 1.49 1.46 3n9mC1 ILE 696 HG13 0.03 0.15 0.04 -0.04 1.21 1.38 3n9mC1 ILE 696 HG23 -0.01 -0.01 -0.12 -0.04 0.93 0.76 3n9mC1 ILE 696 HD13 0.02 -0.01 -0.05 -0.04 0.88 0.80 3n9mC1 GLN 697 H 0.03 0.70 0.05 -0.55 8.47 8.71 3n9mC1 GLN 697 HA -0.14 0.03 0.43 -0.75 4.36 3.93 3n9mC1 GLN 697 HB2 -0.10 0.04 0.15 -0.04 2.15 2.20 3n9mC1 GLN 697 HB3 -0.00 0.12 0.19 -0.04 2.02 2.28 3n9mC1 GLN 697 HG2 -1.21 -0.04 -0.00 -0.04 2.40 1.11 3n9mC1 GLN 697 HG3 -1.14 0.00 -0.30 -0.04 2.39 0.91 3n9mC1 GLN 697 HE21 -0.19 0.46 0.10 -0.04 6.97 7.31 3n9mC1 GLN 697 HE22 -0.16 0.06 0.06 -0.04 7.69 7.60 3n9mC1 THR 698 H 0.07 0.48 -0.47 -0.55 8.28 7.82 3n9mC1 THR 698 HA -0.03 -0.06 0.43 -0.75 4.39 3.98 3n9mC1 THR 698 HB 0.11 0.21 0.18 -0.04 4.32 4.77 3n9mC1 THR 698 HG23 0.08 -0.03 -0.11 -0.04 1.22 1.12 3n9mC1 LYS 699 H -0.01 0.49 -0.21 -0.55 8.42 8.14 3n9mC1 LYS 699 HA -0.01 0.02 0.53 -0.75 4.32 4.12 3n9mC1 LYS 699 HB2 -0.01 0.19 0.24 -0.04 1.87 2.25 3n9mC1 LYS 699 HB3 -0.01 -0.05 0.02 -0.04 1.79 1.70 3n9mC1 LYS 699 HG2 0.01 -0.06 0.04 -0.04 1.46 1.41 3n9mC1 LYS 699 HG3 0.02 0.15 0.09 -0.04 1.46 1.68 3n9mC1 LYS 699 HD2 0.01 0.00 0.03 -0.04 1.69 1.69 3n9mC1 LYS 699 HD3 0.00 -0.03 0.01 -0.04 1.68 1.62 3n9mC1 LYS 699 HE2 0.01 -0.03 -0.01 -0.04 2.99 2.92 3n9mC1 LYS 699 HE3 0.02 0.03 -0.04 -0.04 2.99 2.96 3n9mC1 ILE 700 H -0.06 0.47 -0.04 -0.55 8.25 8.07 3n9mC1 ILE 700 HA -0.05 0.05 0.39 -0.75 4.18 3.81 3n9mC1 ILE 700 HB -0.13 0.10 0.13 -0.04 1.89 1.95 3n9mC1 ILE 700 HG12 -0.05 -0.01 0.01 -0.04 1.49 1.40 3n9mC1 ILE 700 HG13 -0.06 0.11 0.00 -0.04 1.21 1.22 3n9mC1 ILE 700 HG23 -0.09 -0.01 -0.36 -0.04 0.93 0.43 3n9mC1 ILE 700 HD13 -0.06 -0.00 -0.05 -0.04 0.88 0.72 3n9mC1 GLN 701 H -0.14 0.49 -0.21 -0.55 8.47 8.07 3n9mC1 GLN 701 HA -0.11 -0.02 0.43 -0.75 4.36 3.91 3n9mC1 GLN 701 HB2 -0.11 0.17 0.11 -0.04 2.15 2.28 3n9mC1 GLN 701 HB3 -0.10 -0.05 0.03 -0.04 2.02 1.85 3n9mC1 GLN 701 HG2 -0.27 -0.17 0.04 -0.04 2.40 1.96 3n9mC1 GLN 701 HG3 -0.35 0.22 0.11 -0.04 2.39 2.34 3n9mC1 GLN 701 HE21 -2.38 -0.01 -0.07 -0.04 6.97 4.47 3n9mC1 GLN 701 HE22 -1.08 -0.12 -0.01 -0.04 7.69 6.43 3n9mC1 ASN 702 H -0.04 0.38 -0.28 -0.55 8.53 8.04 3n9mC1 ASN 702 HA -0.01 0.01 0.55 -0.75 4.76 4.55 3n9mC1 ASN 702 HB2 -0.01 0.11 0.19 -0.04 2.88 3.13 3n9mC1 ASN 702 HB3 -0.00 -0.05 0.11 -0.04 2.79 2.80 3n9mC1 ASN 702 HD21 0.02 -0.06 0.00 -0.04 7.03 6.95 3n9mC1 ASN 702 HD22 0.01 -0.02 0.01 -0.04 7.74 7.71 3n9mC1 ALA 703 H -0.03 0.39 -0.37 -0.55 8.40 7.83 3n9mC1 ALA 703 HA -0.02 0.03 0.47 -0.75 4.34 4.06 3n9mC1 ALA 703 HB3 -0.03 0.03 0.12 -0.04 1.41 1.49 3n9mC1 LYS 704 H -0.03 0.29 -0.33 -0.55 8.42 7.79 3n9mC1 LYS 704 HA -0.02 0.07 0.49 -0.75 4.32 4.11 3n9mC1 LYS 704 HB2 -0.03 0.12 0.07 -0.04 1.87 1.99 3n9mC1 LYS 704 HB3 -0.02 -0.08 0.13 -0.04 1.79 1.78 3n9mC1 LYS 704 HG2 -0.03 -0.03 0.02 -0.04 1.46 1.38 3n9mC1 LYS 704 HG3 -0.04 0.08 0.03 -0.04 1.46 1.48 3n9mC1 LYS 704 HD2 -0.04 -0.04 0.04 -0.04 1.69 1.61 3n9mC1 LYS 704 HD3 -0.05 0.01 0.07 -0.04 1.68 1.67 3n9mC1 LYS 704 HE2 -0.03 0.02 0.04 -0.04 2.99 2.98 3n9mC1 LYS 704 HE3 -0.03 -0.01 0.03 -0.04 2.99 2.95 3n9mC1 ASN 705 H -0.01 0.40 -0.68 -0.55 8.53 7.69 3n9mC1 ASN 705 HA -0.01 -0.08 0.67 -0.75 4.76 4.59 3n9mC1 ASN 705 HB2 -0.01 0.60 0.30 -0.04 2.88 3.73 3n9mC1 ASN 705 HB3 -0.00 -0.07 0.01 -0.04 2.79 2.68 3n9mC1 ASN 705 HD21 0.01 -0.06 0.02 -0.04 7.03 6.95 3n9mC1 ASN 705 HD22 0.00 0.03 0.09 -0.04 7.74 7.82 3n9mC1 LYS 706 H -0.00 0.06 0.08 -0.55 8.42 7.99 3n9mC1 LYS 706 HA -0.00 0.21 0.60 -0.75 4.32 4.37 3n9mC1 LYS 706 HB2 -0.01 -0.01 -0.01 -0.04 1.87 1.81 3n9mC1 LYS 706 HB3 -0.00 -0.05 0.03 -0.04 1.79 1.73 3n9mC1 LYS 706 HG2 -0.01 -0.01 -0.11 -0.04 1.46 1.29 3n9mC1 LYS 706 HG3 -0.01 0.12 -1.14 -0.04 1.46 0.39 3n9mC1 LYS 706 HD2 -0.01 0.02 -0.08 -0.04 1.69 1.58 3n9mC1 LYS 706 HD3 -0.01 -0.09 -0.05 -0.04 1.68 1.50 3n9mC1 LYS 706 HE2 -0.01 -0.04 -0.03 -0.04 2.99 2.87 3n9mC1 LYS 706 HE3 -0.01 0.20 0.03 -0.04 2.99 3.16