============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 78 rings ring int. center anis. iso. PHE 3 1.000 -52.984 -18.798 -9.957 -99.200 -91.000 TYR 8 0.840 -54.429 -21.072 -24.564 -99.200 -91.000 TYR 10 0.840 -62.006 -26.945 -21.093 -99.200 -91.000 TYR 18 0.840 -69.629 -6.102 -37.676 -99.200 -91.000 PHE 71 1.000 -42.879 -6.301 -52.037 -99.200 -91.000 TRP 75 1.040 -59.852 2.394 -52.351 -99.200 -91.000 TRP6 75 1.020 -60.217 1.377 -54.448 -99.200 -91.000 HIS 81 0.900 -52.781 5.149 -55.813 -99.200 -91.000 TYR 103 0.840 -21.188 -20.250 -48.780 -99.200 -91.000 TYR 110 0.840 -29.316 -18.148 -40.491 -99.200 -91.000 TRP 124 1.040 -41.508 1.690 -42.509 -99.200 -91.000 TRP6 124 1.020 -39.703 1.518 -41.000 -99.200 -91.000 TYR 131 0.840 -51.080 7.919 -52.273 -99.200 -91.000 TYR 146 0.840 -45.529 0.520 -27.713 -99.200 -91.000 TYR 151 0.840 -41.506 -5.539 -26.621 -99.200 -91.000 TYR 160 0.840 -42.522 -18.897 -33.250 -99.200 -91.000 TRP 161 1.040 -35.707 -12.695 -28.385 -99.200 -91.000 TRP6 161 1.020 -36.804 -10.615 -28.158 -99.200 -91.000 TYR 165 0.840 -29.193 -17.494 -26.248 -99.200 -91.000 TRP 172 1.040 -26.079 -17.237 -36.529 -99.200 -91.000 TRP6 172 1.020 -27.821 -15.659 -36.203 -99.200 -91.000 TYR 177 0.840 -23.428 -14.671 -37.602 -99.200 -91.000 TRP 180 1.040 -29.718 -11.561 -33.517 -99.200 -91.000 TRP6 180 1.020 -30.090 -13.193 -31.835 -99.200 -91.000 PHE 181 1.000 -25.413 -14.599 -29.969 -99.200 -91.000 PHE 184 1.000 -32.660 -8.138 -32.104 -99.200 -91.000 TRP 197 1.040 -35.086 -6.811 -25.912 -99.200 -91.000 TRP6 197 1.020 -35.828 -5.650 -27.837 -99.200 -91.000 HIS 202 0.900 -34.482 -2.503 -32.347 -99.200 -91.000 PHE 217 1.000 -32.038 1.671 -43.274 -99.200 -91.000 TYR 218 0.840 -33.201 3.539 -47.653 -99.200 -91.000 HIS 227 0.900 -19.374 1.635 -47.219 -99.200 -91.000 PHE 229 1.000 -21.131 -5.153 -38.020 -99.200 -91.000 PHE 230 1.000 -23.883 -5.386 -44.154 -99.200 -91.000 HIS 233 0.900 -17.447 -7.764 -38.969 -99.200 -91.000 TYR 236 0.840 -19.961 -9.922 -51.695 -99.200 -91.000 TYR 245 0.840 -35.297 1.183 -51.449 -99.200 -91.000 TRP 249 1.040 -45.359 5.412 -55.113 -99.200 -91.000 TRP6 249 1.020 -47.005 4.655 -53.603 -99.200 -91.000 TYR 257 0.840 -62.391 -17.239 -57.327 -99.200 -91.000 TYR 260 0.840 -66.760 -10.420 -54.280 -99.200 -91.000 TRP 263 1.040 -57.463 -5.422 -57.188 -99.200 -91.000 TRP6 263 1.020 -56.738 -4.446 -59.204 -99.200 -91.000 PHE 284 1.000 -61.664 -27.654 -61.806 -99.200 -91.000 PHE 286 1.000 -64.309 -24.887 -56.283 -99.200 -91.000 TYR 287 0.840 -72.744 -25.272 -57.187 -99.200 -91.000 HIS 288 0.900 -70.408 -27.040 -47.299 -99.200 -91.000 TYR 295 0.840 -60.726 -28.682 -47.532 -99.200 -91.000 HIS 296 0.900 -57.918 -33.771 -56.425 -99.200 -91.000 PHE 306 1.000 -45.987 -21.605 -53.978 -99.200 -91.000 TYR 312 0.840 -42.299 -19.826 -66.598 -99.200 -91.000 TYR 331 0.840 -50.083 -21.101 -68.382 -99.200 -91.000 TYR 354 0.840 -51.805 -8.357 -44.013 -99.200 -91.000 PHE 367 1.000 -46.085 -1.669 -44.457 -99.200 -91.000 TYR 372 0.840 -36.315 -15.838 -47.052 -99.200 -91.000 PHE 375 1.000 -34.645 -12.233 -33.527 -99.200 -91.000 HIS 393 0.900 -31.130 -19.086 -48.189 -99.200 -91.000 PHE 395 1.000 -31.187 -12.188 -55.911 -99.200 -91.000 HIS 401 0.900 -35.144 -20.234 -61.366 -99.200 -91.000 TYR 412 0.840 -40.646 -16.605 -55.720 -99.200 -91.000 HIS 413 0.900 -39.508 -9.564 -50.814 -99.200 -91.000 PHE 419 1.000 -57.773 -3.052 -50.892 -99.200 -91.000 PHE 430 1.000 -56.605 -10.883 -49.787 -99.200 -91.000 PHE 436 1.000 -40.858 -20.293 -50.874 -99.200 -91.000 HIS 442 0.900 -52.369 -13.288 -50.252 -99.200 -91.000 PHE 452 1.000 -65.860 -22.601 -50.645 -99.200 -91.000 TRP 465 1.040 -55.746 -26.337 -48.375 -99.200 -91.000 TRP6 465 1.020 -54.376 -25.542 -50.123 -99.200 -91.000 TRP 467 1.040 -47.213 -28.809 -53.261 -99.200 -91.000 TRP6 467 1.020 -45.777 -27.146 -54.123 -99.200 -91.000 PHE 479 1.000 -58.007 -30.732 -44.518 -99.200 -91.000 HIS 492 0.900 -53.942 -34.493 -53.096 -99.200 -91.000 PHE 503 1.000 -50.689 -26.053 -41.221 -99.200 -91.000 TRP 510 1.040 -63.796 -9.345 -45.951 -99.200 -91.000 TRP6 510 1.020 -61.820 -9.215 -47.252 -99.200 -91.000 TRP 533 1.040 -60.218 6.613 -33.048 -99.200 -91.000 TRP6 533 1.020 -60.370 8.005 -34.949 -99.200 -91.000 HIS 536 0.900 -66.244 13.031 -35.066 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2nlzA1 VAL 3 HA 0.01 -0.12 0.25 -0.75 4.13 3.52 2nlzA1 VAL 3 HB 0.02 0.02 0.02 -0.04 2.12 2.14 2nlzA1 VAL 3 HG13 0.01 -0.01 0.03 -0.04 0.97 0.96 2nlzA1 VAL 3 HG23 0.01 -0.01 0.06 -0.04 0.95 0.97 2nlzA1 MET 4 H 0.02 0.05 0.06 -0.55 8.47 8.05 2nlzA1 MET 4 HA 0.13 0.21 0.76 -0.75 4.52 4.86 2nlzA1 MET 4 HB2 -0.00 0.04 0.10 -0.04 2.15 2.24 2nlzA1 MET 4 HB3 -0.02 -0.27 0.23 -0.04 2.03 1.93 2nlzA1 MET 4 HG2 0.06 0.10 -0.12 -0.04 2.63 2.62 2nlzA1 MET 4 HG3 0.01 0.01 0.00 -0.04 2.56 2.54 2nlzA1 MET 4 HE3 0.09 0.02 0.01 -0.04 2.10 2.18 2nlzA1 PHE 5 H 0.02 0.14 0.10 -0.55 8.34 8.04 2nlzA1 PHE 5 HA -0.01 0.33 1.27 -0.75 4.62 5.46 2nlzA1 PHE 5 HB2 -0.01 0.00 0.20 -0.04 3.15 3.31 2nlzA1 PHE 5 HB3 -0.00 0.03 -0.08 -0.04 3.06 2.96 2nlzA1 PHE 5 HD2 -0.00 -0.03 0.08 -0.04 7.28 7.29 2nlzA1 PHE 5 HE2 0.00 0.00 0.02 -0.04 7.38 7.36 2nlzA1 PHE 5 HZ 0.00 -0.00 0.01 -0.04 7.32 7.29 2nlzA1 ASP 6 H -0.10 0.20 -0.08 -0.55 8.40 7.88 2nlzA1 ASP 6 HA -0.06 0.06 0.12 -0.75 4.63 3.99 2nlzA1 ASP 6 HB2 -0.14 0.12 0.07 -0.04 2.71 2.71 2nlzA1 ASP 6 HB3 -0.13 0.07 0.34 -0.04 2.70 2.94 2nlzA1 PRO 7 HA -0.07 0.24 0.70 -0.51 4.44 4.81 2nlzA1 PRO 7 HB2 -0.07 -0.26 0.23 -0.04 2.28 2.14 2nlzA1 PRO 7 HB3 -0.05 0.11 0.13 -0.04 2.02 2.17 2nlzA1 PRO 7 HG2 -0.07 0.04 0.05 -0.04 2.03 2.00 2nlzA1 PRO 7 HG3 -0.04 0.09 -0.05 -0.04 2.03 1.98 2nlzA1 PRO 7 HD2 -0.10 0.13 0.13 -0.04 3.68 3.79 2nlzA1 PRO 7 HD3 -0.05 0.14 0.02 -0.04 3.65 3.72 2nlzA1 GLN 8 H -0.08 0.15 0.09 -0.55 8.47 8.09 2nlzA1 GLN 8 HA -0.12 0.19 0.67 -0.75 4.36 4.35 2nlzA1 GLN 8 HB2 -0.02 -0.02 0.02 -0.04 2.15 2.09 2nlzA1 GLN 8 HB3 -0.01 0.01 0.12 -0.04 2.02 2.10 2nlzA1 GLN 8 HG2 0.12 0.03 0.12 -0.04 2.40 2.63 2nlzA1 GLN 8 HG3 0.07 -0.00 0.05 -0.04 2.39 2.47 2nlzA1 GLN 8 HE21 0.01 0.02 -0.02 -0.04 6.97 6.94 2nlzA1 GLN 8 HE22 0.07 0.01 -0.00 -0.04 7.69 7.73 2nlzA1 SER 9 H -0.24 0.11 -0.28 -0.55 8.46 7.51 2nlzA1 SER 9 HA -0.09 0.13 0.65 -0.75 4.49 4.43 2nlzA1 SER 9 HB2 -0.08 0.00 0.02 -0.04 3.95 3.84 2nlzA1 SER 9 HB3 -0.13 -0.03 0.09 -0.04 3.93 3.82 2nlzA1 TYR 10 H 0.05 0.19 0.04 -0.55 8.29 8.01 2nlzA1 TYR 10 HA -0.02 0.19 0.87 -0.75 4.56 4.84 2nlzA1 TYR 10 HB2 -0.01 -0.00 0.15 -0.04 3.06 3.15 2nlzA1 TYR 10 HB3 0.00 0.07 0.09 -0.04 2.98 3.11 2nlzA1 TYR 10 HD2 0.01 0.02 -0.07 -0.04 7.15 7.07 2nlzA1 TYR 10 HE2 0.01 -0.02 -0.07 -0.04 6.85 6.72 2nlzA1 PRO 11 HA -0.20 0.08 0.34 -0.51 4.44 4.15 2nlzA1 PRO 11 HB2 -1.47 0.03 -0.05 -0.04 2.28 0.76 2nlzA1 PRO 11 HB3 -0.40 0.00 0.07 -0.04 2.02 1.65 2nlzA1 PRO 11 HG2 -0.29 0.04 0.01 -0.04 2.03 1.75 2nlzA1 PRO 11 HG3 -0.20 -0.01 -0.03 -0.04 2.03 1.75 2nlzA1 PRO 11 HD2 -0.11 0.11 0.10 -0.04 3.68 3.73 2nlzA1 PRO 11 HD3 -0.13 0.22 -0.30 -0.04 3.65 3.40 2nlzA1 TYR 12 H -0.03 0.09 -0.32 -0.55 8.29 7.48 2nlzA1 TYR 12 HA 0.03 0.21 0.83 -0.75 4.56 4.88 2nlzA1 TYR 12 HB2 0.05 -0.02 -0.05 -0.04 3.06 3.00 2nlzA1 TYR 12 HB3 0.03 0.06 0.05 -0.04 2.98 3.08 2nlzA1 TYR 12 HD2 0.03 0.04 -0.05 -0.04 7.15 7.13 2nlzA1 TYR 12 HE2 0.02 0.00 -0.04 -0.04 6.85 6.79 2nlzA1 PRO 13 HA 0.06 0.10 0.65 -0.51 4.44 4.74 2nlzA1 PRO 13 HB2 0.04 0.07 -0.00 -0.04 2.28 2.35 2nlzA1 PRO 13 HB3 0.04 0.03 0.09 -0.04 2.02 2.15 2nlzA1 PRO 13 HG2 0.07 0.00 0.07 -0.04 2.03 2.13 2nlzA1 PRO 13 HG3 0.06 0.03 0.08 -0.04 2.03 2.16 2nlzA1 PRO 13 HD2 0.18 0.05 0.22 -0.04 3.68 4.08 2nlzA1 PRO 13 HD3 0.13 0.17 0.21 -0.04 3.65 4.12 2nlzA1 SER 14 H 0.03 0.13 0.16 -0.55 8.46 8.23 2nlzA1 SER 14 HA 0.05 0.19 0.81 -0.75 4.49 4.78 2nlzA1 SER 14 HB2 0.04 0.07 -0.03 -0.04 3.95 3.99 2nlzA1 SER 14 HB3 0.00 0.02 -0.01 -0.04 3.93 3.90 2nlzA1 ARG 15 H 0.02 0.23 0.16 -0.55 8.46 8.32 2nlzA1 ARG 15 HA 0.01 0.00 0.81 -0.75 4.34 4.41 2nlzA1 ARG 15 HB2 0.02 0.00 0.02 -0.04 1.90 1.90 2nlzA1 ARG 15 HB3 0.02 0.00 -0.13 -0.04 1.80 1.64 2nlzA1 ARG 15 HG2 0.02 0.12 -0.07 -0.04 1.67 1.69 2nlzA1 ARG 15 HG3 0.02 -0.01 -0.08 -0.04 1.67 1.55 2nlzA1 ARG 15 HD2 0.02 0.00 -0.07 -0.04 3.22 3.13 2nlzA1 ARG 15 HD3 0.02 0.00 -0.04 -0.04 3.22 3.16 2nlzA1 ARG 16 H 0.01 0.27 0.06 -0.55 8.46 8.24 2nlzA1 ARG 16 HA 0.01 0.18 0.85 -0.75 4.34 4.62 2nlzA1 ARG 16 HB2 -0.01 -0.01 0.10 -0.04 1.90 1.94 2nlzA1 ARG 16 HB3 -0.01 0.05 -0.01 -0.04 1.80 1.79 2nlzA1 ARG 16 HG2 -0.00 0.04 0.05 -0.04 1.67 1.71 2nlzA1 ARG 16 HG3 -0.01 -0.04 -0.22 -0.04 1.67 1.36 2nlzA1 ARG 16 HD2 -0.02 0.02 -0.07 -0.04 3.22 3.11 2nlzA1 ARG 16 HD3 -0.02 -0.04 -0.07 -0.04 3.22 3.05 2nlzA1 ASN 17 H 0.02 0.16 0.03 -0.55 8.53 8.20 2nlzA1 ASN 17 HA 0.04 0.05 0.68 -0.75 4.76 4.78 2nlzA1 ASN 17 HB2 0.04 -0.00 0.08 -0.04 2.88 2.95 2nlzA1 ASN 17 HB3 0.07 0.13 -0.00 -0.04 2.79 2.94 2nlzA1 ASN 17 HD21 0.02 -0.00 -0.00 -0.04 7.03 7.01 2nlzA1 ASN 17 HD22 0.03 0.03 0.01 -0.04 7.74 7.77 2nlzA1 VAL 18 H 0.07 0.07 0.16 -0.55 8.24 7.98 2nlzA1 VAL 18 HA -0.02 0.13 0.58 -0.75 4.13 4.06 2nlzA1 VAL 18 HB 0.20 -0.01 0.10 -0.04 2.12 2.37 2nlzA1 VAL 18 HG13 -0.29 0.06 -0.11 -0.04 0.97 0.59 2nlzA1 VAL 18 HG23 0.03 -0.04 0.08 -0.04 0.95 0.97 2nlzA1 VAL 19 H -0.06 0.38 0.31 -0.55 8.24 8.33 2nlzA1 VAL 19 HA 0.08 0.10 0.73 -0.75 4.13 4.29 2nlzA1 VAL 19 HB -0.04 -0.05 0.09 -0.04 2.12 2.08 2nlzA1 VAL 19 HG13 0.01 -0.01 -0.32 -0.04 0.97 0.61 2nlzA1 VAL 19 HG23 0.01 0.07 0.03 -0.04 0.95 1.02 2nlzA1 TYR 20 H 0.21 0.17 0.21 -0.55 8.29 8.32 2nlzA1 TYR 20 HA 0.02 0.47 1.17 -0.75 4.56 5.47 2nlzA1 TYR 20 HB2 0.01 -0.05 0.12 -0.04 3.06 3.09 2nlzA1 TYR 20 HB3 0.01 0.01 -0.00 -0.04 2.98 2.96 2nlzA1 TYR 20 HD2 0.02 0.07 -0.15 -0.04 7.15 7.05 2nlzA1 TYR 20 HE2 0.03 -0.03 -0.09 -0.04 6.85 6.72 2nlzA1 ALA 21 H 0.08 0.64 0.37 -0.55 8.40 8.95 2nlzA1 ALA 21 HA 0.06 0.11 0.68 -0.75 4.34 4.44 2nlzA1 ALA 21 HB3 0.06 -0.03 -0.01 -0.04 1.41 1.39 2nlzA1 LYS 22 H 0.01 0.01 0.25 -0.55 8.42 8.14 2nlzA1 LYS 22 HA 0.05 0.27 0.93 -0.75 4.32 4.82 2nlzA1 LYS 22 HB2 -0.01 -0.07 0.13 -0.04 1.87 1.87 2nlzA1 LYS 22 HB3 0.01 0.06 0.00 -0.04 1.79 1.82 2nlzA1 LYS 22 HG2 0.04 -0.02 -0.16 -0.04 1.46 1.28 2nlzA1 LYS 22 HG3 0.02 -0.01 -0.03 -0.04 1.46 1.40 2nlzA1 LYS 22 HD2 0.05 0.17 0.03 -0.04 1.69 1.90 2nlzA1 LYS 22 HD3 0.05 -0.06 -0.14 -0.04 1.68 1.48 2nlzA1 LYS 22 HE2 0.03 -0.05 0.00 -0.04 2.99 2.93 2nlzA1 LYS 22 HE3 0.04 0.13 0.01 -0.04 2.99 3.13 2nlzA1 ASN 23 H -0.04 0.08 0.34 -0.55 8.53 8.36 2nlzA1 ASN 23 HA 0.06 0.12 0.64 -0.75 4.76 4.82 2nlzA1 ASN 23 HB2 -0.41 0.06 0.27 -0.04 2.88 2.76 2nlzA1 ASN 23 HB3 -0.32 -0.01 0.11 -0.04 2.79 2.53 2nlzA1 ASN 23 HD21 -0.08 -0.04 -0.00 -0.04 7.03 6.87 2nlzA1 ASN 23 HD22 -0.42 0.12 -0.10 -0.04 7.74 7.29 2nlzA1 GLY 24 H 0.13 0.04 -0.02 -0.55 8.43 8.03 2nlzA1 GLY 24 HA2 0.21 0.24 0.62 -0.51 4.01 4.58 2nlzA1 GLY 24 HA3 0.47 0.04 0.41 -0.51 4.01 4.42 2nlzA1 MET 25 H 0.11 0.63 0.33 -0.55 8.47 8.99 2nlzA1 MET 25 HA 0.08 0.31 0.75 -0.75 4.52 4.91 2nlzA1 MET 25 HB2 0.05 -0.04 -0.31 -0.04 2.15 1.81 2nlzA1 MET 25 HB3 0.03 -0.03 -0.10 -0.04 2.03 1.89 2nlzA1 MET 25 HG2 -0.01 -0.00 -0.31 -0.04 2.63 2.27 2nlzA1 MET 25 HG3 0.01 0.06 -0.19 -0.04 2.56 2.41 2nlzA1 MET 25 HE3 -0.03 0.05 -0.39 -0.04 2.10 1.69 2nlzA1 VAL 26 H 0.02 0.54 0.27 -0.55 8.24 8.53 2nlzA1 VAL 26 HA -0.02 0.29 1.01 -0.75 4.13 4.66 2nlzA1 VAL 26 HB -0.02 0.01 0.09 -0.04 2.12 2.17 2nlzA1 VAL 26 HG13 -0.05 -0.01 -0.11 -0.04 0.97 0.75 2nlzA1 VAL 26 HG23 -0.03 -0.05 -0.29 -0.04 0.95 0.55 2nlzA1 ALA 27 H -0.05 0.70 0.31 -0.55 8.40 8.81 2nlzA1 ALA 27 HA -0.04 0.39 1.11 -0.75 4.34 5.05 2nlzA1 ALA 27 HB3 -0.05 -0.01 0.03 -0.04 1.41 1.33 2nlzA1 THR 28 H -0.04 0.51 0.29 -0.55 8.28 8.49 2nlzA1 THR 28 HA -0.04 0.27 0.69 -0.75 4.39 4.56 2nlzA1 THR 28 HB -0.08 0.03 -0.14 -0.04 4.32 4.09 2nlzA1 THR 28 HG23 -0.06 -0.08 -0.23 -0.04 1.22 0.82 2nlzA1 SER 29 H -0.03 0.26 0.17 -0.55 8.46 8.32 2nlzA1 SER 29 HA -0.01 0.18 0.48 -0.75 4.49 4.38 2nlzA1 SER 29 HB2 -0.02 0.07 0.19 -0.04 3.95 4.15 2nlzA1 SER 29 HB3 0.00 -0.01 0.08 -0.04 3.93 3.96 2nlzA1 GLN 30 H -0.05 0.06 -0.34 -0.55 8.47 7.59 2nlzA1 GLN 30 HA -0.05 0.29 0.71 -0.75 4.36 4.55 2nlzA1 GLN 30 HB2 -0.08 0.07 -0.24 -0.04 2.15 1.85 2nlzA1 GLN 30 HB3 -0.12 -0.20 0.04 -0.04 2.02 1.70 2nlzA1 GLN 30 HG2 -0.18 0.04 -0.17 -0.04 2.40 2.05 2nlzA1 GLN 30 HG3 -0.15 -0.12 -0.03 -0.04 2.39 2.05 2nlzA1 GLN 30 HE21 0.00 -0.07 0.10 -0.04 6.97 6.96 2nlzA1 GLN 30 HE22 -0.04 -0.07 0.08 -0.04 7.69 7.61 2nlzA1 PRO 31 HA -0.03 0.06 0.10 -0.51 4.44 4.05 2nlzA1 PRO 31 HB2 -0.02 0.07 -0.04 -0.04 2.28 2.25 2nlzA1 PRO 31 HB3 -0.01 0.09 -0.01 -0.04 2.02 2.05 2nlzA1 PRO 31 HG2 -0.01 0.10 0.04 -0.04 2.03 2.12 2nlzA1 PRO 31 HG3 -0.01 0.05 -0.02 -0.04 2.03 2.00 2nlzA1 PRO 31 HD2 -0.05 0.14 0.11 -0.04 3.68 3.83 2nlzA1 PRO 31 HD3 -0.03 0.26 0.00 -0.04 3.65 3.84 2nlzA1 LEU 32 H -0.12 0.17 -0.27 -0.55 8.37 7.61 2nlzA1 LEU 32 HA -0.03 0.13 0.62 -0.75 4.35 4.32 2nlzA1 LEU 32 HB2 -0.41 0.03 -0.04 -0.04 1.64 1.18 2nlzA1 LEU 32 HB3 -0.46 0.05 0.00 -0.04 1.64 1.19 2nlzA1 LEU 32 HG -0.10 -0.08 -0.03 -0.04 1.64 1.39 2nlzA1 LEU 32 HD13 -0.21 0.04 -0.01 -0.04 0.93 0.71 2nlzA1 LEU 32 HD23 0.03 0.02 -0.03 -0.04 0.89 0.86 2nlzA1 ALA 33 H -0.13 0.27 -0.23 -0.55 8.40 7.76 2nlzA1 ALA 33 HA -0.05 0.09 0.58 -0.75 4.34 4.20 2nlzA1 ALA 33 HB3 -0.10 0.05 0.02 -0.04 1.41 1.34 2nlzA1 ALA 34 H -0.05 0.40 -0.17 -0.55 8.40 8.02 2nlzA1 ALA 34 HA -0.05 0.02 0.32 -0.75 4.34 3.87 2nlzA1 ALA 34 HB3 -0.03 0.06 -0.05 -0.04 1.41 1.35 2nlzA1 GLN 35 H -0.01 0.26 -0.48 -0.55 8.47 7.70 2nlzA1 GLN 35 HA 0.00 0.03 0.35 -0.75 4.36 3.99 2nlzA1 GLN 35 HB2 0.02 0.14 0.16 -0.04 2.15 2.43 2nlzA1 GLN 35 HB3 0.08 0.15 0.09 -0.04 2.02 2.30 2nlzA1 GLN 35 HG2 0.06 0.01 -0.02 -0.04 2.40 2.42 2nlzA1 GLN 35 HG3 0.03 -0.04 -0.08 -0.04 2.39 2.26 2nlzA1 GLN 35 HE21 0.04 0.00 -0.02 -0.04 6.97 6.95 2nlzA1 GLN 35 HE22 0.03 0.00 -0.03 -0.04 7.69 7.65 2nlzA1 ALA 36 H 0.04 0.45 -0.29 -0.55 8.40 8.05 2nlzA1 ALA 36 HA -0.03 0.02 0.42 -0.75 4.34 4.00 2nlzA1 ALA 36 HB3 0.02 0.05 -0.03 -0.04 1.41 1.41 2nlzA1 GLY 37 H -0.07 0.44 -0.23 -0.55 8.43 8.04 2nlzA1 GLY 37 HA2 -0.12 -0.02 0.38 -0.51 4.01 3.74 2nlzA1 GLY 37 HA3 -0.09 0.09 0.23 -0.51 4.01 3.73 2nlzA1 LEU 38 H -0.07 0.45 -0.34 -0.55 8.37 7.86 2nlzA1 LEU 38 HA -0.20 0.01 0.49 -0.75 4.35 3.90 2nlzA1 LEU 38 HB2 -0.03 0.13 0.13 -0.04 1.64 1.83 2nlzA1 LEU 38 HB3 -0.05 -0.01 -0.08 -0.04 1.64 1.45 2nlzA1 LEU 38 HG 0.10 -0.04 -0.09 -0.04 1.64 1.57 2nlzA1 LEU 38 HD13 0.03 0.03 -0.27 -0.04 0.93 0.68 2nlzA1 LEU 38 HD23 0.05 0.00 -0.12 -0.04 0.89 0.79 2nlzA1 ASP 39 H -0.11 0.63 -0.09 -0.55 8.40 8.28 2nlzA1 ASP 39 HA -0.15 -0.00 0.39 -0.75 4.63 4.12 2nlzA1 ASP 39 HB2 -0.09 0.15 0.17 -0.04 2.71 2.90 2nlzA1 ASP 39 HB3 -0.10 -0.05 0.01 -0.04 2.70 2.53 2nlzA1 ILE 40 H -0.17 0.40 -0.35 -0.55 8.25 7.59 2nlzA1 ILE 40 HA -0.15 0.08 0.44 -0.75 4.18 3.80 2nlzA1 ILE 40 HB -0.14 0.09 0.04 -0.04 1.89 1.84 2nlzA1 ILE 40 HG12 -0.11 -0.03 -0.07 -0.04 1.49 1.23 2nlzA1 ILE 40 HG13 -0.11 -0.03 -0.14 -0.04 1.21 0.89 2nlzA1 ILE 40 HG23 -0.12 -0.02 -0.36 -0.04 0.93 0.38 2nlzA1 ILE 40 HD13 -0.11 0.04 -0.13 -0.04 0.88 0.63 2nlzA1 LEU 41 H -0.34 0.50 -0.19 -0.55 8.37 7.80 2nlzA1 LEU 41 HA -0.42 0.18 0.41 -0.75 4.35 3.77 2nlzA1 LEU 41 HB2 -0.58 0.12 0.21 -0.04 1.64 1.35 2nlzA1 LEU 41 HB3 -1.71 -0.04 -0.08 -0.04 1.64 -0.23 2nlzA1 LEU 41 HG -0.13 0.02 0.01 -0.04 1.64 1.50 2nlzA1 LEU 41 HD13 -0.10 0.03 -0.28 -0.04 0.93 0.54 2nlzA1 LEU 41 HD23 -0.03 0.02 -0.14 -0.04 0.89 0.70 2nlzA1 LYS 42 H -0.71 0.64 -0.19 -0.55 8.42 7.60 2nlzA1 LYS 42 HA -0.35 -0.05 0.43 -0.75 4.32 3.60 2nlzA1 LYS 42 HB2 -0.28 0.10 0.17 -0.04 1.87 1.82 2nlzA1 LYS 42 HB3 -0.10 0.03 -0.05 -0.04 1.79 1.63 2nlzA1 LYS 42 HG2 0.17 -0.04 0.04 -0.04 1.46 1.59 2nlzA1 LYS 42 HG3 0.02 -0.07 0.03 -0.04 1.46 1.39 2nlzA1 LYS 42 HD2 -0.04 0.02 -0.05 -0.04 1.69 1.57 2nlzA1 LYS 42 HD3 0.03 0.00 -0.01 -0.04 1.68 1.65 2nlzA1 LYS 42 HE2 0.14 -0.01 -0.01 -0.04 2.99 3.06 2nlzA1 LYS 42 HE3 0.29 -0.06 -0.01 -0.04 2.99 3.17 2nlzA1 ALA 43 H -0.20 0.40 -0.26 -0.55 8.40 7.80 2nlzA1 ALA 43 HA -0.04 0.08 0.49 -0.75 4.34 4.11 2nlzA1 ALA 43 HB3 -0.07 -0.02 0.13 -0.04 1.41 1.40 2nlzA1 GLY 44 H -0.13 0.38 -0.84 -0.55 8.43 7.30 2nlzA1 GLY 44 HA2 0.02 0.04 0.27 -0.51 4.01 3.82 2nlzA1 GLY 44 HA3 -0.00 0.05 0.50 -0.51 4.01 4.04 2nlzA1 GLY 45 H -0.14 0.56 -0.08 -0.55 8.43 8.23 2nlzA1 GLY 45 HA2 -0.04 -0.06 0.53 -0.51 4.01 3.93 2nlzA1 GLY 45 HA3 -0.09 -0.04 0.14 -0.51 4.01 3.51 2nlzA1 ASN 46 H -0.00 -0.06 0.19 -0.55 8.53 8.11 2nlzA1 ASN 46 HA 0.04 0.29 0.82 -0.75 4.76 5.16 2nlzA1 ASN 46 HB2 0.07 -0.11 0.19 -0.04 2.88 2.99 2nlzA1 ASN 46 HB3 0.05 0.17 0.11 -0.04 2.79 3.09 2nlzA1 ASN 46 HD21 0.07 0.51 0.24 -0.04 7.03 7.81 2nlzA1 ASN 46 HD22 0.06 0.06 0.04 -0.04 7.74 7.86 2nlzA1 ALA 47 H 0.07 0.19 0.04 -0.55 8.40 8.16 2nlzA1 ALA 47 HA 0.03 0.10 0.15 -0.75 4.34 3.86 2nlzA1 ALA 47 HB3 0.10 0.02 -0.29 -0.04 1.41 1.19 2nlzA1 ILE 48 H 0.07 0.12 -0.34 -0.55 8.25 7.55 2nlzA1 ILE 48 HA 0.07 0.10 0.33 -0.75 4.18 3.92 2nlzA1 ILE 48 HB 0.10 -0.00 -0.17 -0.04 1.89 1.78 2nlzA1 ILE 48 HG12 0.16 0.10 -0.16 -0.04 1.49 1.55 2nlzA1 ILE 48 HG13 0.12 -0.02 -0.18 -0.04 1.21 1.09 2nlzA1 ILE 48 HG23 0.15 0.03 -0.34 -0.04 0.93 0.73 2nlzA1 ILE 48 HD13 0.08 0.03 -0.09 -0.04 0.88 0.86 2nlzA1 ASP 49 H 0.01 0.05 -0.19 -0.55 8.40 7.72 2nlzA1 ASP 49 HA -0.03 0.06 0.37 -0.75 4.63 4.27 2nlzA1 ASP 49 HB2 -0.05 0.18 0.11 -0.04 2.71 2.91 2nlzA1 ASP 49 HB3 -0.06 0.07 -0.03 -0.04 2.70 2.64 2nlzA1 ALA 50 H -0.06 0.53 -0.24 -0.55 8.40 8.08 2nlzA1 ALA 50 HA -0.12 -0.03 0.33 -0.75 4.34 3.77 2nlzA1 ALA 50 HB3 -0.08 0.03 -0.03 -0.04 1.41 1.29 2nlzA1 ALA 51 H -0.07 0.53 -0.31 -0.55 8.40 8.00 2nlzA1 ALA 51 HA -0.16 -0.03 0.31 -0.75 4.34 3.71 2nlzA1 ALA 51 HB3 -0.10 0.04 -0.01 -0.04 1.41 1.30 2nlzA1 ILE 52 H -0.18 0.57 -0.14 -0.55 8.25 7.95 2nlzA1 ILE 52 HA -0.49 -0.03 0.32 -0.75 4.18 3.23 2nlzA1 ILE 52 HB -0.15 0.12 0.08 -0.04 1.89 1.91 2nlzA1 ILE 52 HG12 -0.02 -0.04 -0.01 -0.04 1.49 1.38 2nlzA1 ILE 52 HG13 -0.09 0.10 0.00 -0.04 1.21 1.18 2nlzA1 ILE 52 HG23 -0.25 -0.02 -0.16 -0.04 0.93 0.46 2nlzA1 ILE 52 HD13 0.04 -0.04 -0.14 -0.04 0.88 0.70 2nlzA1 ALA 53 H -0.19 0.63 -0.11 -0.55 8.40 8.18 2nlzA1 ALA 53 HA -0.20 0.28 0.46 -0.75 4.34 4.12 2nlzA1 ALA 53 HB3 -0.13 -0.02 -0.04 -0.04 1.41 1.18 2nlzA1 THR 54 H -0.18 0.77 -0.09 -0.55 8.28 8.24 2nlzA1 THR 54 HA -0.11 -0.01 0.41 -0.75 4.39 3.93 2nlzA1 THR 54 HB -0.16 0.12 0.02 -0.04 4.32 4.25 2nlzA1 THR 54 HG23 -0.09 -0.03 -0.28 -0.04 1.22 0.78 2nlzA1 ALA 55 H -0.35 0.75 -0.14 -0.55 8.40 8.11 2nlzA1 ALA 55 HA -0.09 -0.00 0.29 -0.75 4.34 3.78 2nlzA1 ALA 55 HB3 -0.47 0.00 -0.04 -0.04 1.41 0.87 2nlzA1 THR 56 H -0.57 0.73 -0.08 -0.55 8.28 7.81 2nlzA1 THR 56 HA -0.58 0.03 0.43 -0.75 4.39 3.52 2nlzA1 THR 56 HB -0.46 -0.07 -0.01 -0.04 4.32 3.74 2nlzA1 THR 56 HG23 -1.79 -0.01 -0.03 -0.04 1.22 -0.66 2nlzA1 ALA 57 H -0.18 0.55 -0.25 -0.55 8.40 7.97 2nlzA1 ALA 57 HA 0.01 0.01 0.51 -0.75 4.34 4.11 2nlzA1 ALA 57 HB3 -0.02 0.03 0.06 -0.04 1.41 1.43 2nlzA1 LEU 58 H -0.08 0.59 -0.22 -0.55 8.37 8.12 2nlzA1 LEU 58 HA -0.08 -0.09 0.27 -0.75 4.35 3.70 2nlzA1 LEU 58 HB2 -0.01 0.23 0.05 -0.04 1.64 1.87 2nlzA1 LEU 58 HB3 -0.02 0.01 -0.08 -0.04 1.64 1.51 2nlzA1 LEU 58 HG -0.07 0.04 0.00 -0.04 1.64 1.57 2nlzA1 LEU 58 HD13 -0.02 -0.01 -0.19 -0.04 0.93 0.67 2nlzA1 LEU 58 HD23 -0.06 -0.05 -0.06 -0.04 0.89 0.68 2nlzA1 THR 59 H 0.01 0.28 -0.62 -0.55 8.28 7.40 2nlzA1 THR 59 HA 0.13 0.00 0.15 -0.75 4.39 3.92 2nlzA1 THR 59 HB 0.06 0.15 0.04 -0.04 4.32 4.53 2nlzA1 THR 59 HG23 0.29 -0.03 -0.23 -0.04 1.22 1.21 2nlzA1 VAL 60 H 0.06 0.31 -0.50 -0.55 8.24 7.56 2nlzA1 VAL 60 HA 0.20 0.14 0.67 -0.75 4.13 4.38 2nlzA1 VAL 60 HB 0.12 0.07 0.07 -0.04 2.12 2.33 2nlzA1 VAL 60 HG13 0.34 -0.02 -0.26 -0.04 0.97 0.99 2nlzA1 VAL 60 HG23 0.20 0.02 -0.11 -0.04 0.95 1.02 2nlzA1 LEU 61 H -0.09 0.49 0.07 -0.55 8.37 8.29 2nlzA1 LEU 61 HA -0.76 0.13 0.32 -0.75 4.35 3.28 2nlzA1 LEU 61 HB2 -0.23 -0.04 -0.08 -0.04 1.64 1.24 2nlzA1 LEU 61 HB3 -0.40 -0.09 -0.02 -0.04 1.64 1.08 2nlzA1 LEU 61 HG -0.37 0.11 -0.06 -0.04 1.64 1.28 2nlzA1 LEU 61 HD13 -0.44 -0.07 -0.29 -0.04 0.93 0.09 2nlzA1 LEU 61 HD23 -1.12 0.01 -0.10 -0.04 0.89 -0.36 2nlzA1 GLU 62 H -0.09 0.53 -0.34 -0.55 8.60 8.16 2nlzA1 GLU 62 HA -0.12 0.14 0.70 -0.75 4.29 4.26 2nlzA1 GLU 62 HB2 -0.10 -0.06 -0.15 -0.04 2.09 1.74 2nlzA1 GLU 62 HB3 -0.11 0.05 0.09 -0.04 1.99 1.99 2nlzA1 GLU 62 HG2 -0.19 -0.09 -0.07 -0.04 2.34 1.95 2nlzA1 GLU 62 HG3 -0.12 -0.00 0.02 -0.04 2.34 2.20 2nlzA1 PRO 63 HA -0.32 0.18 0.26 -0.51 4.44 4.05 2nlzA1 PRO 63 HB2 -1.18 -0.00 -0.06 -0.04 2.28 0.99 2nlzA1 PRO 63 HB3 -0.29 0.05 0.07 -0.04 2.02 1.81 2nlzA1 PRO 63 HG2 -1.13 0.03 -0.02 -0.04 2.03 0.86 2nlzA1 PRO 63 HG3 -0.19 0.25 -0.07 -0.04 2.03 1.98 2nlzA1 PRO 63 HD2 -0.61 0.03 0.01 -0.04 3.68 3.06 2nlzA1 PRO 63 HD3 -0.09 0.21 -0.42 -0.04 3.65 3.31 2nlzA1 THR 64 H -0.66 0.07 -0.45 -0.55 8.28 6.70 2nlzA1 THR 64 HA -1.73 0.11 0.41 -0.75 4.39 2.43 2nlzA1 THR 64 HB -0.31 -0.01 -0.00 -0.04 4.32 3.96 2nlzA1 THR 64 HG23 -0.34 0.01 -0.11 -0.04 1.22 0.73 2nlzA1 SER 65 H -0.39 0.31 -0.45 -0.55 8.46 7.38 2nlzA1 SER 65 HA -0.21 0.17 0.79 -0.75 4.49 4.48 2nlzA1 SER 65 HB2 -0.16 -0.04 -0.08 -0.04 3.95 3.62 2nlzA1 SER 65 HB3 -0.11 0.16 -0.02 -0.04 3.93 3.92 2nlzA1 ASN 66 H -0.25 0.43 -0.19 -0.55 8.53 7.97 2nlzA1 ASN 66 HA 0.02 -0.06 0.67 -0.75 4.76 4.63 2nlzA1 ASN 66 HB2 -0.06 0.00 -0.62 -0.04 2.88 2.16 2nlzA1 ASN 66 HB3 -0.03 0.12 -0.30 -0.04 2.79 2.54 2nlzA1 ASN 66 HD21 0.14 0.02 -0.24 -0.04 7.03 6.91 2nlzA1 ASN 66 HD22 0.05 0.05 -1.05 -0.04 7.74 6.74 2nlzA1 GLY 67 H 0.12 0.24 0.07 -0.55 8.43 8.31 2nlzA1 GLY 67 HA2 0.22 0.20 0.35 -0.51 4.01 4.27 2nlzA1 GLY 67 HA3 0.18 0.16 0.43 -0.51 4.01 4.27 2nlzA1 ILE 68 H 0.22 0.24 0.22 -0.55 8.25 8.38 2nlzA1 ILE 68 HA 0.28 0.10 0.67 -0.75 4.18 4.48 2nlzA1 ILE 68 HB 0.13 -0.04 0.06 -0.04 1.89 2.00 2nlzA1 ILE 68 HG12 0.29 -0.01 0.00 -0.04 1.49 1.74 2nlzA1 ILE 68 HG13 0.09 0.15 0.12 -0.04 1.21 1.53 2nlzA1 ILE 68 HG23 0.06 -0.00 -0.04 -0.04 0.93 0.91 2nlzA1 ILE 68 HD13 0.14 -0.00 -0.06 -0.04 0.88 0.92 2nlzA1 GLY 69 H 0.16 0.15 -0.03 -0.55 8.43 8.16 2nlzA1 GLY 69 HA2 0.18 0.10 0.50 -0.51 4.01 4.27 2nlzA1 GLY 69 HA3 0.18 0.08 0.26 -0.51 4.01 4.02 2nlzA1 SER 70 H 0.01 0.24 -0.95 -0.55 8.46 7.22 2nlzA1 SER 70 HA 0.07 0.11 0.69 -0.75 4.49 4.61 2nlzA1 SER 70 HB2 0.07 0.06 -0.05 -0.04 3.95 3.99 2nlzA1 SER 70 HB3 0.07 0.09 0.06 -0.04 3.93 4.11 2nlzA1 ASP 71 H 0.05 0.29 0.32 -0.55 8.40 8.52 2nlzA1 ASP 71 HA -0.16 -0.02 0.69 -0.75 4.63 4.38 2nlzA1 ASP 71 HB2 -0.21 0.31 0.38 -0.04 2.71 3.15 2nlzA1 ASP 71 HB3 -0.14 -0.37 0.50 -0.04 2.70 2.65 2nlzA1 ALA 72 H -0.30 0.50 0.06 -0.55 8.40 8.11 2nlzA1 ALA 72 HA -0.09 0.22 1.03 -0.75 4.34 4.74 2nlzA1 ALA 72 HB3 -0.18 0.00 -0.10 -0.04 1.41 1.09 2nlzA1 PHE 73 H -0.29 0.70 0.41 -0.55 8.34 8.60 2nlzA1 PHE 73 HA -0.23 0.16 0.87 -0.75 4.62 4.66 2nlzA1 PHE 73 HB2 -0.19 -0.05 -0.01 -0.04 3.15 2.86 2nlzA1 PHE 73 HB3 -0.14 0.04 0.06 -0.04 3.06 2.98 2nlzA1 PHE 73 HD2 -0.21 -0.02 -0.15 -0.04 7.28 6.86 2nlzA1 PHE 73 HE2 -0.83 -0.01 -0.09 -0.04 7.38 6.41 2nlzA1 PHE 73 HZ -0.38 0.04 -0.13 -0.04 7.32 6.80 2nlzA1 ALA 74 H 0.01 0.51 0.40 -0.55 8.40 8.77 2nlzA1 ALA 74 HA 0.06 0.33 0.92 -0.75 4.34 4.89 2nlzA1 ALA 74 HB3 0.19 -0.02 -0.06 -0.04 1.41 1.47 2nlzA1 LEU 75 H 0.18 0.58 0.33 -0.55 8.37 8.91 2nlzA1 LEU 75 HA 0.13 0.33 0.90 -0.75 4.35 4.96 2nlzA1 LEU 75 HB2 0.24 -0.02 0.05 -0.04 1.64 1.87 2nlzA1 LEU 75 HB3 0.10 -0.02 -0.08 -0.04 1.64 1.60 2nlzA1 LEU 75 HG 0.14 -0.04 -0.19 -0.04 1.64 1.51 2nlzA1 LEU 75 HD13 0.23 -0.02 -0.35 -0.04 0.93 0.75 2nlzA1 LEU 75 HD23 0.09 0.03 -0.09 -0.04 0.89 0.88 2nlzA1 VAL 76 H 0.13 0.65 0.22 -0.55 8.24 8.69 2nlzA1 VAL 76 HA 0.16 0.23 1.20 -0.75 4.13 4.96 2nlzA1 VAL 76 HB 0.18 -0.06 -0.05 -0.04 2.12 2.16 2nlzA1 VAL 76 HG13 0.29 -0.01 -0.08 -0.04 0.97 1.13 2nlzA1 VAL 76 HG23 -0.05 0.01 -0.26 -0.04 0.95 0.61 2nlzA1 TRP 77 H 0.19 0.68 0.34 -0.55 7.97 8.64 2nlzA1 TRP 77 HA -0.29 0.31 0.95 -0.75 4.62 4.84 2nlzA1 TRP 77 HB2 -0.67 -0.04 -0.00 -0.04 3.23 2.47 2nlzA1 TRP 77 HB3 -0.01 -0.07 0.22 -0.04 3.23 3.33 2nlzA1 TRP 77 HD1 0.01 0.24 -0.12 -0.04 7.22 7.31 2nlzA1 TRP 77 HE1 -0.01 -0.00 -0.06 -0.04 10.20 10.09 2nlzA1 TRP 77 HE3 -0.67 -0.03 -0.22 -0.04 7.59 6.62 2nlzA1 TRP 77 HZ2 -0.04 0.10 -0.16 -0.04 7.44 7.30 2nlzA1 TRP 77 HZ3 -0.39 -0.03 -0.21 -0.04 7.13 6.46 2nlzA1 TRP 77 HH2 -0.09 0.05 -0.29 -0.04 7.19 6.82 2nlzA1 THR 78 H -0.55 0.76 0.25 -0.55 8.28 8.19 2nlzA1 THR 78 HA -0.04 0.06 0.57 -0.75 4.39 4.22 2nlzA1 THR 78 HB -0.09 -0.02 -0.08 -0.04 4.32 4.08 2nlzA1 THR 78 HG23 -0.68 0.02 -0.16 -0.04 1.22 0.37 2nlzA1 LYS 79 H -0.06 0.16 0.11 -0.55 8.42 8.07 2nlzA1 LYS 79 HA -0.06 0.04 0.36 -0.75 4.32 3.92 2nlzA1 LYS 79 HB2 -0.10 0.09 0.30 -0.04 1.87 2.11 2nlzA1 LYS 79 HB3 -0.05 0.00 0.15 -0.04 1.79 1.85 2nlzA1 LYS 79 HG2 -0.06 -0.17 -0.48 -0.04 1.46 0.71 2nlzA1 LYS 79 HG3 0.00 0.06 -0.08 -0.04 1.46 1.40 2nlzA1 LYS 79 HD2 -0.00 0.01 0.03 -0.04 1.69 1.68 2nlzA1 LYS 79 HD3 0.01 -0.03 0.04 -0.04 1.68 1.66 2nlzA1 LYS 79 HE2 0.08 -0.01 -0.01 -0.04 2.99 3.01 2nlzA1 LYS 79 HE3 0.05 0.05 -0.01 -0.04 2.99 3.04 2nlzA1 GLY 80 H -0.17 0.08 -0.15 -0.55 8.43 7.65 2nlzA1 GLY 80 HA2 0.03 0.03 0.23 -0.51 4.01 3.79 2nlzA1 GLY 80 HA3 -0.12 0.04 0.21 -0.51 4.01 3.64 2nlzA1 LYS 81 H -1.24 0.21 -0.47 -0.55 8.42 6.37 2nlzA1 LYS 81 HA -0.98 0.08 0.87 -0.75 4.32 3.54 2nlzA1 LYS 81 HB2 -0.43 0.09 -0.18 -0.04 1.87 1.31 2nlzA1 LYS 81 HB3 -0.57 0.06 -0.01 -0.04 1.79 1.23 2nlzA1 LYS 81 HG2 -0.41 -0.04 -0.05 -0.04 1.46 0.92 2nlzA1 LYS 81 HG3 -0.79 0.11 -0.08 -0.04 1.46 0.66 2nlzA1 LYS 81 HD2 -0.35 -0.05 0.09 -0.04 1.69 1.34 2nlzA1 LYS 81 HD3 -0.30 0.06 0.01 -0.04 1.68 1.42 2nlzA1 LYS 81 HE2 -0.13 -0.04 0.02 -0.04 2.99 2.79 2nlzA1 LYS 81 HE3 -0.15 -0.02 0.00 -0.04 2.99 2.79 2nlzA1 LEU 82 H -0.83 0.15 0.12 -0.55 8.37 7.27 2nlzA1 LEU 82 HA -0.52 0.17 0.86 -0.75 4.35 4.11 2nlzA1 LEU 82 HB2 -0.29 -0.04 -0.05 -0.04 1.64 1.22 2nlzA1 LEU 82 HB3 -0.73 0.00 0.04 -0.04 1.64 0.91 2nlzA1 LEU 82 HG -0.33 0.09 -0.29 -0.04 1.64 1.07 2nlzA1 LEU 82 HD13 -0.65 -0.00 -0.29 -0.04 0.93 -0.06 2nlzA1 LEU 82 HD23 -0.82 -0.01 -0.19 -0.04 0.89 -0.17 2nlzA1 HIS 83 H -0.17 0.68 0.35 -0.55 8.41 8.72 2nlzA1 HIS 83 HA -0.05 0.19 0.96 -0.75 4.63 4.97 2nlzA1 HIS 83 HB2 -0.02 -0.06 0.06 -0.04 3.26 3.20 2nlzA1 HIS 83 HB3 0.04 0.00 0.04 -0.04 3.20 3.24 2nlzA1 HIS 83 HD2 -0.61 0.03 -0.01 -0.04 6.97 6.34 2nlzA1 HIS 83 HE1 -0.21 -0.02 -0.07 -0.04 7.75 7.41 2nlzA1 GLY 84 H 0.29 0.36 0.30 -0.55 8.43 8.84 2nlzA1 GLY 84 HA2 0.18 0.24 1.16 -0.51 4.01 5.07 2nlzA1 GLY 84 HA3 0.17 0.03 0.38 -0.51 4.01 4.07 2nlzA1 LEU 85 H 0.05 0.72 0.37 -0.55 8.37 8.96 2nlzA1 LEU 85 HA -0.46 0.23 1.08 -0.75 4.35 4.45 2nlzA1 LEU 85 HB2 -0.93 0.03 -0.10 -0.04 1.64 0.60 2nlzA1 LEU 85 HB3 -0.24 -0.09 0.13 -0.04 1.64 1.39 2nlzA1 LEU 85 HG -0.46 -0.06 -0.39 -0.04 1.64 0.69 2nlzA1 LEU 85 HD13 -1.39 0.03 -0.29 -0.04 0.93 -0.75 2nlzA1 LEU 85 HD23 -0.28 -0.02 -0.13 -0.04 0.89 0.42 2nlzA1 ASN 86 H -0.27 0.83 0.27 -0.55 8.53 8.82 2nlzA1 ASN 86 HA -0.50 0.10 0.97 -0.75 4.76 4.58 2nlzA1 ASN 86 HB2 -0.01 0.01 0.11 -0.04 2.88 2.95 2nlzA1 ASN 86 HB3 -0.14 0.06 0.34 -0.04 2.79 3.01 2nlzA1 ASN 86 HD21 0.12 -0.00 0.01 -0.04 7.03 7.11 2nlzA1 ASN 86 HD22 0.09 0.05 0.04 -0.04 7.74 7.88 2nlzA1 GLY 87 H -0.82 0.44 0.21 -0.55 8.43 7.71 2nlzA1 GLY 87 HA2 -0.20 0.11 0.59 -0.51 4.01 3.99 2nlzA1 GLY 87 HA3 -0.34 -0.06 0.31 -0.51 4.01 3.41 2nlzA1 SER 88 H -0.55 0.15 -0.57 -0.55 8.46 6.93 2nlzA1 SER 88 HA -0.28 -0.05 0.78 -0.75 4.49 4.18 2nlzA1 SER 88 HB2 -0.51 -0.04 -0.04 -0.04 3.95 3.32 2nlzA1 SER 88 HB3 -0.18 0.02 0.02 -0.04 3.93 3.76 2nlzA1 GLY 89 H -0.11 0.06 0.20 -0.55 8.43 8.03 2nlzA1 GLY 89 HA2 0.04 0.11 0.61 -0.51 4.01 4.26 2nlzA1 GLY 89 HA3 -0.19 0.29 0.27 -0.51 4.01 3.86 2nlzA1 ARG 90 H 0.09 0.12 0.08 -0.55 8.46 8.19 2nlzA1 ARG 90 HA 0.12 0.13 0.35 -0.75 4.34 4.19 2nlzA1 ARG 90 HB2 0.09 -0.08 -0.53 -0.04 1.90 1.34 2nlzA1 ARG 90 HB3 0.09 -0.00 -0.23 -0.04 1.80 1.61 2nlzA1 ARG 90 HG2 0.09 -0.11 0.04 -0.04 1.67 1.65 2nlzA1 ARG 90 HG3 0.06 0.01 -0.08 -0.04 1.67 1.62 2nlzA1 ARG 90 HD2 0.08 -0.03 0.05 -0.04 3.22 3.28 2nlzA1 ARG 90 HD3 0.05 0.01 0.03 -0.04 3.22 3.27 2nlzA1 ALA 91 H 0.15 0.55 0.11 -0.55 8.40 8.66 2nlzA1 ALA 91 HA 0.12 0.06 0.53 -0.75 4.34 4.30 2nlzA1 ALA 91 HB3 0.01 -0.00 0.21 -0.04 1.41 1.59 2nlzA1 PRO 92 HA 0.03 0.01 0.50 -0.51 4.44 4.47 2nlzA1 PRO 92 HB2 0.08 -0.08 -0.06 -0.04 2.28 2.18 2nlzA1 PRO 92 HB3 0.07 0.11 -0.18 -0.04 2.02 1.99 2nlzA1 PRO 92 HG2 0.10 0.10 0.03 -0.04 2.03 2.22 2nlzA1 PRO 92 HG3 0.03 0.02 0.06 -0.04 2.03 2.09 2nlzA1 PRO 92 HD2 0.02 0.13 0.19 -0.04 3.68 3.99 2nlzA1 PRO 92 HD3 0.06 0.16 0.31 -0.04 3.65 4.15 2nlzA1 MET 93 H 0.04 0.10 0.20 -0.55 8.47 8.26 2nlzA1 MET 93 HA 0.00 0.11 0.29 -0.75 4.52 4.18 2nlzA1 MET 93 HB2 0.02 -0.02 0.12 -0.04 2.15 2.23 2nlzA1 MET 93 HB3 0.03 -0.01 0.00 -0.04 2.03 2.01 2nlzA1 MET 93 HG2 0.01 -0.01 -0.01 -0.04 2.63 2.58 2nlzA1 MET 93 HG3 0.01 0.02 0.04 -0.04 2.56 2.59 2nlzA1 MET 93 HE3 0.02 0.00 -0.01 -0.04 2.10 2.06 2nlzA1 SER 94 H 0.08 0.08 -0.25 -0.55 8.46 7.82 2nlzA1 SER 94 HA 0.05 0.20 0.79 -0.75 4.49 4.78 2nlzA1 SER 94 HB2 0.21 0.02 0.12 -0.04 3.95 4.26 2nlzA1 SER 94 HB3 0.11 -0.04 0.02 -0.04 3.93 3.98 2nlzA1 LEU 95 H -0.05 0.35 -0.44 -0.55 8.37 7.69 2nlzA1 LEU 95 HA -0.58 0.09 0.63 -0.75 4.35 3.73 2nlzA1 LEU 95 HB2 -0.14 -0.10 0.06 -0.04 1.64 1.42 2nlzA1 LEU 95 HB3 -0.20 0.02 0.07 -0.04 1.64 1.48 2nlzA1 LEU 95 HG -0.45 -0.04 -0.01 -0.04 1.64 1.10 2nlzA1 LEU 95 HD13 -0.08 0.04 -0.04 -0.04 0.93 0.81 2nlzA1 LEU 95 HD23 -0.46 -0.00 -0.12 -0.04 0.89 0.27 2nlzA1 THR 96 H -0.20 0.19 0.13 -0.55 8.28 7.85 2nlzA1 THR 96 HA -0.13 0.30 0.81 -0.75 4.39 4.61 2nlzA1 THR 96 HB -0.06 -0.09 0.11 -0.04 4.32 4.24 2nlzA1 THR 96 HG23 -0.04 0.04 -0.18 -0.04 1.22 1.00 2nlzA1 MET 97 H -0.09 0.27 0.12 -0.55 8.47 8.23 2nlzA1 MET 97 HA -0.08 0.14 0.41 -0.75 4.52 4.23 2nlzA1 MET 97 HB2 -0.06 0.14 0.19 -0.04 2.15 2.38 2nlzA1 MET 97 HB3 -0.03 -0.03 0.04 -0.04 2.03 1.96 2nlzA1 MET 97 HG2 -0.03 0.02 0.07 -0.04 2.63 2.65 2nlzA1 MET 97 HG3 -0.06 0.02 0.09 -0.04 2.56 2.57 2nlzA1 MET 97 HE3 -0.03 0.09 0.03 -0.04 2.10 2.15 2nlzA1 GLU 98 H -0.03 0.10 -0.07 -0.55 8.60 8.05 2nlzA1 GLU 98 HA -0.01 0.16 0.56 -0.75 4.29 4.24 2nlzA1 GLU 98 HB2 -0.00 0.04 0.05 -0.04 2.09 2.13 2nlzA1 GLU 98 HB3 -0.01 0.05 0.07 -0.04 1.99 2.06 2nlzA1 GLU 98 HG2 -0.01 -0.06 -0.01 -0.04 2.34 2.21 2nlzA1 GLU 98 HG3 -0.00 0.04 -0.02 -0.04 2.34 2.31 2nlzA1 ALA 99 H -0.03 0.10 -0.36 -0.55 8.40 7.55 2nlzA1 ALA 99 HA 0.04 0.11 0.56 -0.75 4.34 4.30 2nlzA1 ALA 99 HB3 0.02 0.02 0.09 -0.04 1.41 1.50 2nlzA1 VAL 100 H -0.04 0.32 -0.18 -0.55 8.24 7.79 2nlzA1 VAL 100 HA 0.10 0.11 0.63 -0.75 4.13 4.21 2nlzA1 VAL 100 HB -0.06 -0.02 0.01 -0.04 2.12 2.01 2nlzA1 VAL 100 HG13 -0.03 0.06 -0.01 -0.04 0.97 0.95 2nlzA1 VAL 100 HG23 0.15 0.01 -0.04 -0.04 0.95 1.02 2nlzA1 LYS 101 H 0.01 0.29 -0.08 -0.55 8.42 8.08 2nlzA1 LYS 101 HA 0.03 0.31 0.52 -0.75 4.32 4.43 2nlzA1 LYS 101 HB2 0.01 0.08 0.15 -0.04 1.87 2.06 2nlzA1 LYS 101 HB3 0.00 -0.10 0.23 -0.04 1.79 1.88 2nlzA1 LYS 101 HG2 0.00 -0.07 -0.02 -0.04 1.46 1.33 2nlzA1 LYS 101 HG3 0.00 -0.00 -0.32 -0.04 1.46 1.10 2nlzA1 LYS 101 HD2 0.01 0.03 0.03 -0.04 1.69 1.71 2nlzA1 LYS 101 HD3 0.00 0.03 0.03 -0.04 1.68 1.71 2nlzA1 LYS 101 HE2 -0.00 -0.02 -0.05 -0.04 2.99 2.88 2nlzA1 LYS 101 HE3 0.00 -0.02 -0.01 -0.04 2.99 2.92 2nlzA1 ALA 102 H 0.02 0.31 -0.43 -0.55 8.40 7.76 2nlzA1 ALA 102 HA -0.00 0.05 0.41 -0.75 4.34 4.04 2nlzA1 ALA 102 HB3 0.01 0.01 0.11 -0.04 1.41 1.50 2nlzA1 LYS 103 H 0.02 0.32 -0.79 -0.55 8.42 7.41 2nlzA1 LYS 103 HA -0.02 0.15 0.81 -0.75 4.32 4.51 2nlzA1 LYS 103 HB2 0.09 0.13 0.10 -0.04 1.87 2.15 2nlzA1 LYS 103 HB3 0.08 -0.04 0.08 -0.04 1.79 1.87 2nlzA1 LYS 103 HG2 0.05 -0.05 0.13 -0.04 1.46 1.55 2nlzA1 LYS 103 HG3 0.04 0.01 0.07 -0.04 1.46 1.53 2nlzA1 LYS 103 HD2 0.19 0.08 0.02 -0.04 1.69 1.94 2nlzA1 LYS 103 HD3 0.19 -0.04 0.04 -0.04 1.68 1.83 2nlzA1 LYS 103 HE2 0.05 -0.02 0.02 -0.04 2.99 3.00 2nlzA1 LYS 103 HE3 0.08 0.02 0.02 -0.04 2.99 3.07 2nlzA1 GLY 104 H -0.08 0.34 -0.26 -0.55 8.43 7.89 2nlzA1 GLY 104 HA2 -0.14 -0.02 0.28 -0.51 4.01 3.62 2nlzA1 GLY 104 HA3 -0.36 0.16 0.84 -0.51 4.01 4.14 2nlzA1 TYR 105 H -0.25 0.21 -0.12 -0.55 8.29 7.58 2nlzA1 TYR 105 HA 0.01 0.01 0.62 -0.75 4.56 4.44 2nlzA1 TYR 105 HB2 0.02 0.02 -0.03 -0.04 3.06 3.02 2nlzA1 TYR 105 HB3 0.02 0.12 -0.02 -0.04 2.98 3.06 2nlzA1 TYR 105 HD2 0.04 0.01 0.01 -0.04 7.15 7.16 2nlzA1 TYR 105 HE2 0.06 -0.01 0.03 -0.04 6.85 6.88 2nlzA1 GLU 106 H 0.09 -0.09 0.23 -0.55 8.60 8.28 2nlzA1 GLU 106 HA 0.05 0.20 0.62 -0.75 4.29 4.41 2nlzA1 GLU 106 HB2 0.02 -0.00 0.10 -0.04 2.09 2.16 2nlzA1 GLU 106 HB3 0.02 0.10 -0.11 -0.04 1.99 1.96 2nlzA1 GLU 106 HG2 0.02 0.05 0.00 -0.04 2.34 2.37 2nlzA1 GLU 106 HG3 0.02 -0.02 -0.12 -0.04 2.34 2.18 2nlzA1 GLN 107 H 0.06 -0.09 0.16 -0.55 8.47 8.06 2nlzA1 GLN 107 HA 0.00 0.12 0.67 -0.75 4.36 4.40 2nlzA1 GLN 107 HB2 0.02 -0.02 0.14 -0.04 2.15 2.25 2nlzA1 GLN 107 HB3 0.03 -0.05 0.21 -0.04 2.02 2.17 2nlzA1 GLN 107 HG2 0.00 -0.00 0.00 -0.04 2.40 2.36 2nlzA1 GLN 107 HG3 -0.02 0.06 -0.15 -0.04 2.39 2.24 2nlzA1 GLN 107 HE21 -0.01 -0.02 0.03 -0.04 6.97 6.93 2nlzA1 GLN 107 HE22 -0.02 0.03 0.08 -0.04 7.69 7.73 2nlzA1 GLU 108 H 0.02 0.17 0.13 -0.55 8.60 8.38 2nlzA1 GLU 108 HA -0.06 0.14 0.48 -0.75 4.29 4.09 2nlzA1 GLU 108 HB2 -0.24 0.20 0.08 -0.04 2.09 2.09 2nlzA1 GLU 108 HB3 -0.10 0.02 -0.05 -0.04 1.99 1.82 2nlzA1 GLU 108 HG2 -0.02 -0.16 -0.03 -0.04 2.34 2.09 2nlzA1 GLU 108 HG3 -0.02 0.05 -0.15 -0.04 2.34 2.17 2nlzA1 LEU 109 H -0.09 0.22 0.00 -0.55 8.37 7.96 2nlzA1 LEU 109 HA -0.15 0.04 0.43 -0.75 4.35 3.92 2nlzA1 LEU 109 HB2 -0.07 0.02 -0.03 -0.04 1.64 1.51 2nlzA1 LEU 109 HB3 -0.03 -0.05 -0.07 -0.04 1.64 1.45 2nlzA1 LEU 109 HG 0.01 0.02 -0.18 -0.04 1.64 1.45 2nlzA1 LEU 109 HD13 0.04 -0.02 -0.30 -0.04 0.93 0.60 2nlzA1 LEU 109 HD23 0.03 0.03 -0.09 -0.04 0.89 0.82 2nlzA1 PRO 110 HA -0.14 0.09 0.20 -0.51 4.44 4.08 2nlzA1 PRO 110 HB2 -0.12 0.05 0.06 -0.04 2.28 2.23 2nlzA1 PRO 110 HB3 -0.51 -0.00 0.13 -0.04 2.02 1.60 2nlzA1 PRO 110 HG2 -0.13 0.02 0.01 -0.04 2.03 1.89 2nlzA1 PRO 110 HG3 -0.36 0.01 0.08 -0.04 2.03 1.73 2nlzA1 PRO 110 HD2 -0.23 0.05 0.08 -0.04 3.68 3.54 2nlzA1 PRO 110 HD3 -1.14 0.10 0.18 -0.04 3.65 2.75 2nlzA1 PRO 111 HA -0.49 0.11 0.50 -0.51 4.44 4.06 2nlzA1 PRO 111 HB2 -1.49 0.02 -0.00 -0.04 2.28 0.76 2nlzA1 PRO 111 HB3 -0.73 0.01 0.11 -0.04 2.02 1.37 2nlzA1 PRO 111 HG2 -0.27 0.01 0.09 -0.04 2.03 1.82 2nlzA1 PRO 111 HG3 -0.19 0.02 0.08 -0.04 2.03 1.89 2nlzA1 PRO 111 HD2 -0.05 0.06 0.22 -0.04 3.68 3.86 2nlzA1 PRO 111 HD3 -0.03 0.15 0.16 -0.04 3.65 3.89 2nlzA1 TYR 112 H -0.07 0.08 -0.14 -0.55 8.29 7.61 2nlzA1 TYR 112 HA 0.00 0.25 0.93 -0.75 4.56 4.99 2nlzA1 TYR 112 HB2 0.08 -0.06 -0.02 -0.04 3.06 3.02 2nlzA1 TYR 112 HB3 -0.24 0.07 0.06 -0.04 2.98 2.83 2nlzA1 TYR 112 HD2 0.17 0.06 -0.05 -0.04 7.15 7.28 2nlzA1 TYR 112 HE2 0.07 0.05 -0.03 -0.04 6.85 6.90 2nlzA1 GLY 113 H 0.07 0.56 0.25 -0.55 8.43 8.75 2nlzA1 GLY 113 HA2 -0.26 -0.01 0.29 -0.51 4.01 3.52 2nlzA1 GLY 113 HA3 -0.02 0.13 0.80 -0.51 4.01 4.41 2nlzA1 VAL 114 H -0.11 0.19 0.14 -0.55 8.24 7.90 2nlzA1 VAL 114 HA 0.00 0.09 0.39 -0.75 4.13 3.86 2nlzA1 VAL 114 HB 0.06 -0.12 0.10 -0.04 2.12 2.11 2nlzA1 VAL 114 HG13 -0.57 -0.01 0.00 -0.04 0.97 0.35 2nlzA1 VAL 114 HG23 -0.06 0.05 -0.10 -0.04 0.95 0.81 2nlzA1 ILE 115 H 0.08 0.10 -0.37 -0.55 8.25 7.51 2nlzA1 ILE 115 HA 0.27 0.03 0.28 -0.75 4.18 4.00 2nlzA1 ILE 115 HB 0.05 0.12 0.02 -0.04 1.89 2.04 2nlzA1 ILE 115 HG12 0.30 0.04 0.00 -0.04 1.49 1.78 2nlzA1 ILE 115 HG13 0.16 -0.13 -0.02 -0.04 1.21 1.18 2nlzA1 ILE 115 HG23 0.07 -0.00 -0.12 -0.04 0.93 0.84 2nlzA1 ILE 115 HD13 0.15 0.02 0.05 -0.04 0.88 1.06 2nlzA1 PRO 116 HA 0.11 0.12 0.27 -0.51 4.44 4.43 2nlzA1 PRO 116 HB2 0.13 -0.08 0.01 -0.04 2.28 2.29 2nlzA1 PRO 116 HB3 0.11 0.20 -0.12 -0.04 2.02 2.17 2nlzA1 PRO 116 HG2 0.10 -0.02 -0.18 -0.04 2.03 1.88 2nlzA1 PRO 116 HG3 0.03 0.20 -0.43 -0.04 2.03 1.79 2nlzA1 PRO 116 HD2 0.08 0.17 -0.54 -0.04 3.68 3.35 2nlzA1 PRO 116 HD3 0.04 0.13 -0.21 -0.04 3.65 3.57 2nlzA1 VAL 117 H 0.18 0.22 -0.77 -0.55 8.24 7.32 2nlzA1 VAL 117 HA 0.14 0.12 0.45 -0.75 4.13 4.09 2nlzA1 VAL 117 HB 0.33 0.01 0.11 -0.04 2.12 2.53 2nlzA1 VAL 117 HG13 0.16 -0.02 -0.15 -0.04 0.97 0.91 2nlzA1 VAL 117 HG23 0.28 0.05 -0.04 -0.04 0.95 1.20 2nlzA1 THR 118 H 0.09 0.01 0.11 -0.55 8.28 7.95 2nlzA1 THR 118 HA 0.07 0.16 0.76 -0.75 4.39 4.63 2nlzA1 THR 118 HB 0.09 0.18 -0.29 -0.04 4.32 4.26 2nlzA1 THR 118 HG23 0.17 -0.02 -0.12 -0.04 1.22 1.20 2nlzA1 VAL 119 H 0.02 0.52 -0.02 -0.55 8.24 8.21 2nlzA1 VAL 119 HA -0.03 0.06 0.22 -0.75 4.13 3.63 2nlzA1 VAL 119 HB -0.01 0.07 -0.08 -0.04 2.12 2.05 2nlzA1 VAL 119 HG13 0.00 0.04 -0.18 -0.04 0.97 0.78 2nlzA1 VAL 119 HG23 -0.06 0.07 -0.02 -0.04 0.95 0.89 2nlzA1 PRO 120 HA -0.04 -0.02 0.32 -0.51 4.44 4.19 2nlzA1 PRO 120 HB2 0.27 -0.04 0.13 -0.04 2.28 2.60 2nlzA1 PRO 120 HB3 0.05 -0.02 -0.11 -0.04 2.02 1.90 2nlzA1 PRO 120 HG2 0.22 -0.04 0.07 -0.04 2.03 2.24 2nlzA1 PRO 120 HG3 0.11 0.11 0.14 -0.04 2.03 2.35 2nlzA1 PRO 120 HD2 0.03 0.04 0.15 -0.04 3.68 3.86 2nlzA1 PRO 120 HD3 -0.00 0.23 0.15 -0.04 3.65 3.98 2nlzA1 GLY 121 H -0.21 0.05 0.37 -0.55 8.43 8.10 2nlzA1 GLY 121 HA2 -0.89 0.13 0.58 -0.51 4.01 3.32 2nlzA1 GLY 121 HA3 -0.45 0.17 0.29 -0.51 4.01 3.51 2nlzA1 ALA 122 H -0.29 0.64 0.15 -0.55 8.40 8.35 2nlzA1 ALA 122 HA -0.36 -0.02 0.32 -0.75 4.34 3.53 2nlzA1 ALA 122 HB3 -0.32 0.02 -0.23 -0.04 1.41 0.83 2nlzA1 PRO 123 HA -1.53 0.02 0.46 -0.51 4.44 2.88 2nlzA1 PRO 123 HB2 -0.65 0.06 0.01 -0.04 2.28 1.65 2nlzA1 PRO 123 HB3 -0.65 -0.06 0.05 -0.04 2.02 1.32 2nlzA1 PRO 123 HG2 -2.49 0.06 0.01 -0.04 2.03 -0.42 2nlzA1 PRO 123 HG3 -1.20 0.03 0.08 -0.04 2.03 0.90 2nlzA1 PRO 123 HD2 -0.58 0.20 -0.19 -0.04 3.68 3.07 2nlzA1 PRO 123 HD3 -0.78 0.28 0.13 -0.04 3.65 3.24 2nlzA1 GLY 124 H 0.18 0.27 -0.31 -0.55 8.43 8.02 2nlzA1 GLY 124 HA2 0.16 0.03 0.34 -0.51 4.01 4.04 2nlzA1 GLY 124 HA3 0.12 0.15 0.22 -0.51 4.01 4.00 2nlzA1 ALA 125 H -0.15 0.42 -0.25 -0.55 8.40 7.87 2nlzA1 ALA 125 HA -0.11 0.01 0.38 -0.75 4.34 3.86 2nlzA1 ALA 125 HB3 -0.11 0.03 0.01 -0.04 1.41 1.31 2nlzA1 TRP 126 H -0.18 0.62 -0.16 -0.55 7.97 7.70 2nlzA1 TRP 126 HA 0.02 -0.02 0.34 -0.75 4.62 4.21 2nlzA1 TRP 126 HB2 0.01 0.13 0.11 -0.04 3.23 3.43 2nlzA1 TRP 126 HB3 -0.02 -0.09 -0.04 -0.04 3.23 3.04 2nlzA1 TRP 126 HD1 0.07 -0.07 -0.13 -0.04 7.22 7.04 2nlzA1 TRP 126 HE1 0.17 -0.03 -0.20 -0.04 10.20 10.10 2nlzA1 TRP 126 HE3 -0.05 -0.01 -0.02 -0.04 7.59 7.47 2nlzA1 TRP 126 HZ2 0.02 0.06 -0.16 -0.04 7.44 7.32 2nlzA1 TRP 126 HZ3 -0.09 -0.03 -0.03 -0.04 7.13 6.94 2nlzA1 TRP 126 HH2 -0.04 -0.02 -0.01 -0.04 7.19 7.09 2nlzA1 ALA 127 H 0.20 0.51 -0.15 -0.55 8.40 8.41 2nlzA1 ALA 127 HA 0.14 -0.07 0.36 -0.75 4.34 4.01 2nlzA1 ALA 127 HB3 0.11 0.03 -0.01 -0.04 1.41 1.50 2nlzA1 GLU 128 H 0.06 0.61 -0.12 -0.55 8.60 8.60 2nlzA1 GLU 128 HA 0.10 0.04 0.43 -0.75 4.29 4.10 2nlzA1 GLU 128 HB2 -0.06 0.17 0.10 -0.04 2.09 2.27 2nlzA1 GLU 128 HB3 0.03 -0.04 -0.12 -0.04 1.99 1.82 2nlzA1 GLU 128 HG2 0.01 -0.01 0.02 -0.04 2.34 2.31 2nlzA1 GLU 128 HG3 -0.09 0.05 -0.01 -0.04 2.34 2.26 2nlzA1 LEU 129 H 0.15 0.49 -0.31 -0.55 8.37 8.15 2nlzA1 LEU 129 HA 0.40 0.03 0.42 -0.75 4.35 4.44 2nlzA1 LEU 129 HB2 0.20 0.37 0.13 -0.04 1.64 2.29 2nlzA1 LEU 129 HB3 0.17 -0.01 -0.01 -0.04 1.64 1.75 2nlzA1 LEU 129 HG 0.21 -0.08 -0.13 -0.04 1.64 1.60 2nlzA1 LEU 129 HD13 0.38 -0.01 -0.09 -0.04 0.93 1.17 2nlzA1 LEU 129 HD23 0.31 -0.00 -0.16 -0.04 0.89 1.00 2nlzA1 ALA 130 H 0.13 0.54 -0.13 -0.55 8.40 8.39 2nlzA1 ALA 130 HA 0.07 -0.12 0.33 -0.75 4.34 3.86 2nlzA1 ALA 130 HB3 0.06 0.04 0.06 -0.04 1.41 1.53 2nlzA1 LYS 131 H 0.07 0.62 -0.03 -0.55 8.42 8.53 2nlzA1 LYS 131 HA 0.00 -0.00 0.34 -0.75 4.32 3.91 2nlzA1 LYS 131 HB2 0.03 -0.02 0.11 -0.04 1.87 1.95 2nlzA1 LYS 131 HB3 0.05 0.04 0.12 -0.04 1.79 1.96 2nlzA1 LYS 131 HG2 -0.02 0.02 -0.17 -0.04 1.46 1.25 2nlzA1 LYS 131 HG3 -0.02 -0.02 0.01 -0.04 1.46 1.39 2nlzA1 LYS 131 HD2 -0.01 -0.03 -0.01 -0.04 1.69 1.60 2nlzA1 LYS 131 HD3 0.02 -0.02 0.00 -0.04 1.68 1.64 2nlzA1 LYS 131 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.93 2nlzA1 LYS 131 HE3 0.03 0.02 -0.02 -0.04 2.99 2.98 2nlzA1 MET 132 H 0.03 0.36 -0.39 -0.55 8.47 7.92 2nlzA1 MET 132 HA -0.31 0.07 0.39 -0.75 4.52 3.93 2nlzA1 MET 132 HB2 -0.02 0.11 0.11 -0.04 2.15 2.31 2nlzA1 MET 132 HB3 -0.41 -0.04 0.05 -0.04 2.03 1.59 2nlzA1 MET 132 HG2 -1.34 -0.05 -0.05 -0.04 2.63 1.15 2nlzA1 MET 132 HG3 -1.04 0.00 0.03 -0.04 2.56 1.51 2nlzA1 MET 132 HE3 -0.21 -0.01 -0.05 -0.04 2.10 1.79 2nlzA1 TYR 133 H 0.06 0.50 0.03 -0.55 8.29 8.32 2nlzA1 TYR 133 HA -0.05 0.27 1.02 -0.75 4.56 5.05 2nlzA1 TYR 133 HB2 0.05 -0.01 -0.03 -0.04 3.06 3.03 2nlzA1 TYR 133 HB3 -0.01 -0.12 0.04 -0.04 2.98 2.84 2nlzA1 TYR 133 HD2 -0.03 -0.01 -0.07 -0.04 7.15 6.99 2nlzA1 TYR 133 HE2 -0.99 -0.01 -0.09 -0.04 6.85 5.73 2nlzA1 GLY 134 H 0.07 0.44 0.08 -0.55 8.43 8.47 2nlzA1 GLY 134 HA2 0.06 -0.18 0.55 -0.51 4.01 3.94 2nlzA1 GLY 134 HA3 0.05 -0.02 0.31 -0.51 4.01 3.84 2nlzA1 ASN 135 H 0.01 -0.15 0.22 -0.55 8.53 8.06 2nlzA1 ASN 135 HA 0.01 0.28 0.85 -0.75 4.76 5.15 2nlzA1 ASN 135 HB2 0.00 -0.17 0.17 -0.04 2.88 2.84 2nlzA1 ASN 135 HB3 0.01 0.09 0.04 -0.04 2.79 2.89 2nlzA1 ASN 135 HD21 0.04 -0.04 -0.00 -0.04 7.03 6.99 2nlzA1 ASN 135 HD22 0.02 0.25 0.04 -0.04 7.74 8.01 2nlzA1 LEU 136 H -0.01 -0.12 0.08 -0.55 8.37 7.78 2nlzA1 LEU 136 HA -0.01 0.28 0.74 -0.75 4.35 4.61 2nlzA1 LEU 136 HB2 -0.03 -0.10 -0.03 -0.04 1.64 1.44 2nlzA1 LEU 136 HB3 -0.03 0.05 0.05 -0.04 1.64 1.67 2nlzA1 LEU 136 HG -0.03 -0.23 -0.06 -0.04 1.64 1.27 2nlzA1 LEU 136 HD13 -0.07 0.01 -0.13 -0.04 0.93 0.70 2nlzA1 LEU 136 HD23 -0.03 0.05 -0.31 -0.04 0.89 0.56 2nlzA1 PRO 137 HA 0.01 0.18 0.59 -0.51 4.44 4.71 2nlzA1 PRO 137 HB2 0.00 -0.11 0.02 -0.04 2.28 2.15 2nlzA1 PRO 137 HB3 0.00 0.14 0.11 -0.04 2.02 2.23 2nlzA1 PRO 137 HG2 -0.01 -0.13 0.06 -0.04 2.03 1.91 2nlzA1 PRO 137 HG3 -0.01 0.12 0.06 -0.04 2.03 2.17 2nlzA1 PRO 137 HD2 -0.01 0.10 0.23 -0.04 3.68 3.95 2nlzA1 PRO 137 HD3 -0.01 0.26 0.16 -0.04 3.65 4.02 2nlzA1 LEU 138 H 0.02 0.25 0.15 -0.55 8.37 8.24 2nlzA1 LEU 138 HA -0.00 0.06 0.25 -0.75 4.35 3.90 2nlzA1 LEU 138 HB2 0.05 0.04 0.19 -0.04 1.64 1.88 2nlzA1 LEU 138 HB3 0.04 0.11 0.10 -0.04 1.64 1.85 2nlzA1 LEU 138 HG 0.07 -0.03 -0.10 -0.04 1.64 1.54 2nlzA1 LEU 138 HD13 0.08 -0.01 -0.14 -0.04 0.93 0.82 2nlzA1 LEU 138 HD23 0.14 0.04 -0.07 -0.04 0.89 0.96 2nlzA1 ALA 139 H 0.00 0.13 -0.29 -0.55 8.40 7.70 2nlzA1 ALA 139 HA -0.01 0.05 0.27 -0.75 4.34 3.90 2nlzA1 ALA 139 HB3 -0.00 0.04 -0.07 -0.04 1.41 1.34 2nlzA1 ALA 140 H -0.03 0.32 -0.38 -0.55 8.40 7.77 2nlzA1 ALA 140 HA -0.04 0.10 0.60 -0.75 4.34 4.25 2nlzA1 ALA 140 HB3 -0.04 0.04 0.05 -0.04 1.41 1.41 2nlzA1 SER 141 H -0.05 0.35 -0.12 -0.55 8.46 8.09 2nlzA1 SER 141 HA -0.10 0.07 0.20 -0.75 4.49 3.91 2nlzA1 SER 141 HB2 -0.11 -0.00 -0.01 -0.04 3.95 3.78 2nlzA1 SER 141 HB3 -0.07 -0.06 -0.03 -0.04 3.93 3.72 2nlzA1 LEU 142 H -0.08 0.45 -0.30 -0.55 8.37 7.89 2nlzA1 LEU 142 HA -0.16 0.23 1.04 -0.75 4.35 4.71 2nlzA1 LEU 142 HB2 -0.20 -0.07 0.09 -0.04 1.64 1.42 2nlzA1 LEU 142 HB3 -0.25 0.01 -0.16 -0.04 1.64 1.21 2nlzA1 LEU 142 HG -0.05 0.13 -0.11 -0.04 1.64 1.57 2nlzA1 LEU 142 HD13 -0.05 0.04 -0.11 -0.04 0.93 0.77 2nlzA1 LEU 142 HD23 -0.10 -0.02 -0.12 -0.04 0.89 0.61 2nlzA1 ALA 143 H -0.08 0.39 -0.42 -0.55 8.40 7.74 2nlzA1 ALA 143 HA -0.07 0.02 0.54 -0.75 4.34 4.08 2nlzA1 ALA 143 HB3 -0.07 0.10 0.10 -0.04 1.41 1.49 2nlzA1 PRO 144 HA -0.29 0.09 0.55 -0.51 4.44 4.29 2nlzA1 PRO 144 HB2 -0.10 0.03 -0.07 -0.04 2.28 2.10 2nlzA1 PRO 144 HB3 -0.23 0.04 0.03 -0.04 2.02 1.82 2nlzA1 PRO 144 HG2 -0.11 0.07 -0.00 -0.04 2.03 1.96 2nlzA1 PRO 144 HG3 -0.13 0.06 -0.00 -0.04 2.03 1.91 2nlzA1 PRO 144 HD2 -0.11 0.16 -0.19 -0.04 3.68 3.49 2nlzA1 PRO 144 HD3 -0.11 0.24 0.01 -0.04 3.65 3.76 2nlzA1 ALA 145 H -0.09 0.21 -0.37 -0.55 8.40 7.61 2nlzA1 ALA 145 HA 0.14 0.04 0.35 -0.75 4.34 4.12 2nlzA1 ALA 145 HB3 -0.06 0.10 -0.19 -0.04 1.41 1.22 2nlzA1 ILE 146 H -0.05 0.35 -0.29 -0.55 8.25 7.70 2nlzA1 ILE 146 HA 0.02 0.03 0.48 -0.75 4.18 3.96 2nlzA1 ILE 146 HB -0.04 0.12 0.15 -0.04 1.89 2.08 2nlzA1 ILE 146 HG12 0.01 -0.02 0.01 -0.04 1.49 1.46 2nlzA1 ILE 146 HG13 -0.02 0.12 -0.03 -0.04 1.21 1.24 2nlzA1 ILE 146 HG23 -0.01 -0.02 -0.10 -0.04 0.93 0.76 2nlzA1 ILE 146 HD13 -0.02 -0.02 -0.20 -0.04 0.88 0.61 2nlzA1 ARG 147 H -0.11 0.60 -0.10 -0.55 8.46 8.29 2nlzA1 ARG 147 HA -0.07 -0.01 0.40 -0.75 4.34 3.91 2nlzA1 ARG 147 HB2 -0.17 0.11 0.17 -0.04 1.90 1.96 2nlzA1 ARG 147 HB3 -0.37 0.11 0.14 -0.04 1.80 1.63 2nlzA1 ARG 147 HG2 -0.11 -0.03 -0.01 -0.04 1.67 1.49 2nlzA1 ARG 147 HG3 -0.10 -0.02 0.02 -0.04 1.67 1.52 2nlzA1 ARG 147 HD2 -0.19 0.01 -0.07 -0.04 3.22 2.93 2nlzA1 ARG 147 HD3 -0.11 -0.02 -0.03 -0.04 3.22 3.02 2nlzA1 TYR 148 H -0.11 0.55 -0.24 -0.55 8.29 7.95 2nlzA1 TYR 148 HA 0.06 0.07 0.34 -0.75 4.56 4.28 2nlzA1 TYR 148 HB2 0.02 0.08 0.04 -0.04 3.06 3.16 2nlzA1 TYR 148 HB3 0.08 -0.01 -0.12 -0.04 2.98 2.89 2nlzA1 TYR 148 HD2 -0.00 0.02 -0.13 -0.04 7.15 7.00 2nlzA1 TYR 148 HE2 -0.03 -0.01 -0.10 -0.04 6.85 6.66 2nlzA1 ALA 149 H 0.12 0.40 -0.27 -0.55 8.40 8.10 2nlzA1 ALA 149 HA 0.06 0.04 0.51 -0.75 4.34 4.20 2nlzA1 ALA 149 HB3 0.09 0.04 0.08 -0.04 1.41 1.58 2nlzA1 GLU 150 H 0.01 0.53 -0.11 -0.55 8.60 8.48 2nlzA1 GLU 150 HA -0.05 -0.02 0.41 -0.75 4.29 3.87 2nlzA1 GLU 150 HB2 -0.02 0.12 0.12 -0.04 2.09 2.27 2nlzA1 GLU 150 HB3 -0.03 -0.01 -0.09 -0.04 1.99 1.83 2nlzA1 GLU 150 HG2 -0.03 -0.04 0.02 -0.04 2.34 2.25 2nlzA1 GLU 150 HG3 -0.01 -0.04 0.01 -0.04 2.34 2.25 2nlzA1 GLU 151 H 0.02 0.51 -0.02 -0.55 8.60 8.56 2nlzA1 GLU 151 HA -0.01 0.05 0.62 -0.75 4.29 4.19 2nlzA1 GLU 151 HB2 0.04 0.14 0.12 -0.04 2.09 2.35 2nlzA1 GLU 151 HB3 0.03 -0.02 0.02 -0.04 1.99 1.98 2nlzA1 GLU 151 HG2 -0.01 -0.04 -0.00 -0.04 2.34 2.25 2nlzA1 GLU 151 HG3 -0.01 -0.08 -0.05 -0.04 2.34 2.16 2nlzA1 GLY 152 H 0.09 0.29 -0.13 -0.55 8.43 8.13 2nlzA1 GLY 152 HA2 0.02 0.18 0.43 -0.51 4.01 4.13 2nlzA1 GLY 152 HA3 -0.04 0.05 0.48 -0.51 4.01 3.99 2nlzA1 TYR 153 H -0.16 0.47 0.30 -0.55 8.29 8.35 2nlzA1 TYR 153 HA 0.06 0.15 0.76 -0.75 4.56 4.77 2nlzA1 TYR 153 HB2 0.01 0.00 0.07 -0.04 3.06 3.09 2nlzA1 TYR 153 HB3 0.02 -0.00 -0.15 -0.04 2.98 2.81 2nlzA1 TYR 153 HD2 0.12 0.12 -0.20 -0.04 7.15 7.15 2nlzA1 TYR 153 HE2 0.39 -0.02 -0.10 -0.04 6.85 7.08 2nlzA1 PRO 154 HA 0.00 0.28 0.43 -0.51 4.44 4.64 2nlzA1 PRO 154 HB2 0.05 -0.03 -0.10 -0.04 2.28 2.15 2nlzA1 PRO 154 HB3 0.03 0.12 -0.01 -0.04 2.02 2.12 2nlzA1 PRO 154 HG2 0.09 -0.04 0.07 -0.04 2.03 2.10 2nlzA1 PRO 154 HG3 0.06 0.04 0.04 -0.04 2.03 2.13 2nlzA1 PRO 154 HD2 0.17 0.05 0.22 -0.04 3.68 4.09 2nlzA1 PRO 154 HD3 0.10 0.17 0.10 -0.04 3.65 3.98 2nlzA1 VAL 155 H -0.01 0.40 0.13 -0.55 8.24 8.21 2nlzA1 VAL 155 HA 0.18 0.08 0.61 -0.75 4.13 4.25 2nlzA1 VAL 155 HB -0.08 0.14 0.12 -0.04 2.12 2.26 2nlzA1 VAL 155 HG13 0.04 0.00 -0.22 -0.04 0.97 0.76 2nlzA1 VAL 155 HG23 -0.20 0.06 -0.01 -0.04 0.95 0.75 2nlzA1 THR 156 H 0.13 0.16 0.22 -0.55 8.28 8.24 2nlzA1 THR 156 HA 0.05 0.17 0.60 -0.75 4.39 4.46 2nlzA1 THR 156 HB 0.06 0.03 0.18 -0.04 4.32 4.55 2nlzA1 THR 156 HG23 0.07 0.05 0.09 -0.04 1.22 1.38 2nlzA1 PRO 157 HA 0.03 0.09 0.41 -0.51 4.44 4.46 2nlzA1 PRO 157 HB2 0.06 0.02 0.07 -0.04 2.28 2.39 2nlzA1 PRO 157 HB3 0.03 0.07 0.09 -0.04 2.02 2.16 2nlzA1 PRO 157 HG2 0.05 0.10 0.11 -0.04 2.03 2.24 2nlzA1 PRO 157 HG3 0.02 0.08 0.11 -0.04 2.03 2.20 2nlzA1 PRO 157 HD2 0.05 0.09 0.25 -0.04 3.68 4.03 2nlzA1 PRO 157 HD3 0.03 0.19 0.26 -0.04 3.65 4.10 2nlzA1 THR 158 H 0.08 0.10 -0.14 -0.55 8.28 7.77 2nlzA1 THR 158 HA 0.07 0.12 0.44 -0.75 4.39 4.27 2nlzA1 THR 158 HB 0.11 -0.04 0.12 -0.04 4.32 4.47 2nlzA1 THR 158 HG23 0.20 0.03 0.01 -0.04 1.22 1.42 2nlzA1 LEU 159 H 0.13 0.06 -0.07 -0.55 8.37 7.93 2nlzA1 LEU 159 HA 0.21 0.05 0.45 -0.75 4.35 4.30 2nlzA1 LEU 159 HB2 0.13 -0.01 0.16 -0.04 1.64 1.88 2nlzA1 LEU 159 HB3 0.19 0.03 0.14 -0.04 1.64 1.96 2nlzA1 LEU 159 HG 0.50 0.03 -0.15 -0.04 1.64 1.98 2nlzA1 LEU 159 HD13 -0.00 -0.01 0.06 -0.04 0.93 0.94 2nlzA1 LEU 159 HD23 0.37 0.02 0.07 -0.04 0.89 1.32 2nlzA1 ALA 160 H 0.12 0.51 -0.28 -0.55 8.40 8.20 2nlzA1 ALA 160 HA 0.13 0.10 0.33 -0.75 4.34 4.15 2nlzA1 ALA 160 HB3 0.01 0.04 -0.08 -0.04 1.41 1.34 2nlzA1 LYS 161 H 0.05 0.46 -0.15 -0.55 8.42 8.22 2nlzA1 LYS 161 HA -0.02 0.02 0.44 -0.75 4.32 4.00 2nlzA1 LYS 161 HB2 -0.08 0.04 0.18 -0.04 1.87 1.97 2nlzA1 LYS 161 HB3 -0.23 0.14 0.22 -0.04 1.79 1.88 2nlzA1 LYS 161 HG2 -0.22 -0.06 -0.08 -0.04 1.46 1.06 2nlzA1 LYS 161 HG3 -0.13 -0.02 0.05 -0.04 1.46 1.31 2nlzA1 LYS 161 HD2 -0.89 0.04 -0.02 -0.04 1.69 0.78 2nlzA1 LYS 161 HD3 -0.38 -0.02 -0.03 -0.04 1.68 1.21 2nlzA1 LYS 161 HE2 -0.12 -0.03 0.03 -0.04 2.99 2.83 2nlzA1 LYS 161 HE3 -0.13 0.01 0.04 -0.04 2.99 2.86 2nlzA1 TYR 162 H 0.13 0.43 -0.05 -0.55 8.29 8.25 2nlzA1 TYR 162 HA 0.06 0.02 0.45 -0.75 4.56 4.34 2nlzA1 TYR 162 HB2 0.02 0.07 0.11 -0.04 3.06 3.22 2nlzA1 TYR 162 HB3 -0.01 0.01 0.05 -0.04 2.98 2.99 2nlzA1 TYR 162 HD2 0.01 0.05 0.02 -0.04 7.15 7.18 2nlzA1 TYR 162 HE2 -0.00 -0.02 -0.03 -0.04 6.85 6.76 2nlzA1 TRP 163 H 0.38 0.50 -0.21 -0.55 7.97 8.09 2nlzA1 TRP 163 HA 0.28 0.03 0.56 -0.75 4.62 4.74 2nlzA1 TRP 163 HB2 0.04 0.16 0.12 -0.04 3.23 3.51 2nlzA1 TRP 163 HB3 0.02 0.11 0.06 -0.04 3.23 3.38 2nlzA1 TRP 163 HD1 0.02 -0.12 0.06 -0.04 7.22 7.15 2nlzA1 TRP 163 HE1 -0.36 0.21 0.10 -0.04 10.20 10.12 2nlzA1 TRP 163 HE3 -0.10 -0.04 -0.09 -0.04 7.59 7.32 2nlzA1 TRP 163 HZ2 -0.97 0.03 0.11 -0.04 7.44 6.57 2nlzA1 TRP 163 HZ3 -0.26 0.00 -0.04 -0.04 7.13 6.80 2nlzA1 TRP 163 HH2 -2.55 0.02 -0.01 -0.04 7.19 4.60 2nlzA1 LYS 164 H 0.22 0.62 -0.09 -0.55 8.42 8.62 2nlzA1 LYS 164 HA 0.22 0.01 0.64 -0.75 4.32 4.44 2nlzA1 LYS 164 HB2 0.07 0.17 0.21 -0.04 1.87 2.28 2nlzA1 LYS 164 HB3 0.08 -0.08 0.01 -0.04 1.79 1.75 2nlzA1 LYS 164 HG2 0.03 -0.08 0.06 -0.04 1.46 1.43 2nlzA1 LYS 164 HG3 0.01 0.16 -0.01 -0.04 1.46 1.58 2nlzA1 LYS 164 HD2 -0.01 0.01 -0.01 -0.04 1.69 1.65 2nlzA1 LYS 164 HD3 0.01 -0.03 0.00 -0.04 1.68 1.63 2nlzA1 LYS 164 HE2 0.10 -0.05 0.06 -0.04 2.99 3.05 2nlzA1 LYS 164 HE3 0.06 -0.00 0.04 -0.04 2.99 3.05 2nlzA1 ALA 165 H 0.12 0.51 -0.08 -0.55 8.40 8.40 2nlzA1 ALA 165 HA 0.02 0.01 0.53 -0.75 4.34 4.14 2nlzA1 ALA 165 HB3 0.03 0.03 0.11 -0.04 1.41 1.54 2nlzA1 ALA 166 H 0.18 0.48 -0.21 -0.55 8.40 8.30 2nlzA1 ALA 166 HA -0.16 0.03 0.42 -0.75 4.34 3.87 2nlzA1 ALA 166 HB3 0.16 0.03 0.10 -0.04 1.41 1.66 2nlzA1 TYR 167 H 0.29 0.28 -0.42 -0.55 8.29 7.89 2nlzA1 TYR 167 HA 0.08 0.09 0.59 -0.75 4.56 4.57 2nlzA1 TYR 167 HB2 0.30 0.11 0.09 -0.04 3.06 3.53 2nlzA1 TYR 167 HB3 0.14 0.04 0.23 -0.04 2.98 3.35 2nlzA1 TYR 167 HD2 0.30 0.03 -0.05 -0.04 7.15 7.39 2nlzA1 TYR 167 HE2 0.31 0.03 -0.05 -0.04 6.85 7.10 2nlzA1 ASP 168 H 0.10 0.71 0.07 -0.55 8.40 8.73 2nlzA1 ASP 168 HA -0.18 0.01 0.29 -0.75 4.63 4.01 2nlzA1 ASP 168 HB2 -0.01 0.07 0.19 -0.04 2.71 2.92 2nlzA1 ASP 168 HB3 -0.04 -0.04 0.02 -0.04 2.70 2.60 2nlzA1 ARG 169 H -0.16 0.51 -0.15 -0.55 8.46 8.11 2nlzA1 ARG 169 HA -0.18 0.03 0.49 -0.75 4.34 3.94 2nlzA1 ARG 169 HB2 -0.14 -0.04 0.10 -0.04 1.90 1.78 2nlzA1 ARG 169 HB3 -0.26 0.16 0.10 -0.04 1.80 1.76 2nlzA1 ARG 169 HG2 -0.35 0.02 -0.15 -0.04 1.67 1.15 2nlzA1 ARG 169 HG3 -0.23 -0.05 0.03 -0.04 1.67 1.38 2nlzA1 ARG 169 HD2 -0.09 -0.03 -0.00 -0.04 3.22 3.05 2nlzA1 ARG 169 HD3 -0.10 -0.01 0.01 -0.04 3.22 3.07 2nlzA1 VAL 170 H -0.45 0.31 -0.52 -0.55 8.24 7.02 2nlzA1 VAL 170 HA -0.85 -0.02 0.41 -0.75 4.13 2.91 2nlzA1 VAL 170 HB -1.05 0.66 0.22 -0.04 2.12 1.91 2nlzA1 VAL 170 HG13 -1.77 -0.03 -0.08 -0.04 0.97 -0.95 2nlzA1 VAL 170 HG23 -2.04 -0.04 -0.07 -0.04 0.95 -1.24 2nlzA1 LYS 171 H -0.39 0.71 0.08 -0.55 8.42 8.25 2nlzA1 LYS 171 HA 0.01 0.06 0.49 -0.75 4.32 4.12 2nlzA1 LYS 171 HB2 -0.73 -0.02 0.06 -0.04 1.87 1.15 2nlzA1 LYS 171 HB3 -0.43 0.08 0.09 -0.04 1.79 1.49 2nlzA1 LYS 171 HG2 -0.19 -0.03 -0.06 -0.04 1.46 1.14 2nlzA1 LYS 171 HG3 -0.16 0.01 -0.39 -0.04 1.46 0.89 2nlzA1 LYS 171 HD2 -0.16 0.02 0.01 -0.04 1.69 1.52 2nlzA1 LYS 171 HD3 -0.05 -0.03 -0.02 -0.04 1.68 1.54 2nlzA1 LYS 171 HE2 -0.11 -0.03 -0.03 -0.04 2.99 2.78 2nlzA1 LYS 171 HE3 -0.23 0.05 0.08 -0.04 2.99 2.85 2nlzA1 THR 172 H -0.20 0.19 -0.38 -0.55 8.28 7.33 2nlzA1 THR 172 HA -0.07 0.13 0.58 -0.75 4.39 4.27 2nlzA1 THR 172 HB -0.06 -0.04 -0.00 -0.04 4.32 4.17 2nlzA1 THR 172 HG23 -0.09 -0.01 -0.04 -0.04 1.22 1.05 2nlzA1 GLU 173 H -0.24 0.15 -0.05 -0.55 8.60 7.91 2nlzA1 GLU 173 HA -0.02 0.08 0.51 -0.75 4.29 4.11 2nlzA1 GLU 173 HB2 -0.45 0.03 0.11 -0.04 2.09 1.74 2nlzA1 GLU 173 HB3 -0.06 -0.05 0.02 -0.04 1.99 1.85 2nlzA1 GLU 173 HG2 -0.05 -0.05 0.02 -0.04 2.34 2.23 2nlzA1 GLU 173 HG3 -0.15 0.10 0.07 -0.04 2.34 2.32 2nlzA1 TRP 174 H -0.07 0.65 -0.19 -0.55 7.97 7.82 2nlzA1 TRP 174 HA -0.31 0.10 0.83 -0.75 4.62 4.49 2nlzA1 TRP 174 HB2 -0.19 0.19 0.18 -0.04 3.23 3.38 2nlzA1 TRP 174 HB3 -0.59 -0.14 0.08 -0.04 3.23 2.55 2nlzA1 TRP 174 HD1 -0.57 0.11 -0.48 -0.04 7.22 6.25 2nlzA1 TRP 174 HE1 -1.01 -0.01 -0.10 -0.04 10.20 9.04 2nlzA1 TRP 174 HE3 -0.94 0.01 0.01 -0.04 7.59 6.63 2nlzA1 TRP 174 HZ2 -1.46 0.06 -0.13 -0.04 7.44 5.87 2nlzA1 TRP 174 HZ3 -2.49 -0.03 -0.03 -0.04 7.13 4.54 2nlzA1 TRP 174 HH2 -0.73 -0.00 -0.15 -0.04 7.19 6.27 2nlzA1 THR 175 H 0.17 0.30 -0.21 -0.55 8.28 7.99 2nlzA1 THR 175 HA 0.14 0.21 0.91 -0.75 4.39 4.90 2nlzA1 THR 175 HB 0.06 -0.07 0.12 -0.04 4.32 4.39 2nlzA1 THR 175 HG23 0.02 0.02 -0.06 -0.04 1.22 1.15 2nlzA1 ASP 176 H 0.30 0.38 -0.08 -0.55 8.40 8.45 2nlzA1 ASP 176 HA 0.10 0.18 0.68 -0.75 4.63 4.83 2nlzA1 ASP 176 HB2 0.25 0.11 -0.29 -0.04 2.71 2.74 2nlzA1 ASP 176 HB3 -0.01 -0.15 -0.06 -0.04 2.70 2.44 2nlzA1 ASP 177 H 0.04 0.21 0.18 -0.55 8.40 8.27 2nlzA1 ASP 177 HA 0.10 0.14 0.56 -0.75 4.63 4.67 2nlzA1 ASP 177 HB2 0.17 0.01 0.18 -0.04 2.71 3.02 2nlzA1 ASP 177 HB3 0.29 0.05 0.03 -0.04 2.70 3.03 2nlzA1 VAL 178 H -0.30 0.08 -0.03 -0.55 8.24 7.44 2nlzA1 VAL 178 HA -0.59 0.11 0.36 -0.75 4.13 3.26 2nlzA1 VAL 178 HB -0.85 0.05 -0.14 -0.04 2.12 1.13 2nlzA1 VAL 178 HG13 -0.80 0.01 0.05 -0.04 0.97 0.18 2nlzA1 VAL 178 HG23 -0.55 -0.01 0.06 -0.04 0.95 0.41 2nlzA1 TYR 179 H -0.10 0.10 -0.47 -0.55 8.29 7.27 2nlzA1 TYR 179 HA -0.03 0.25 0.54 -0.75 4.56 4.57 2nlzA1 TYR 179 HB2 0.24 0.08 -0.04 -0.04 3.06 3.30 2nlzA1 TYR 179 HB3 0.25 0.05 0.11 -0.04 2.98 3.34 2nlzA1 TYR 179 HD2 -0.52 0.05 -0.14 -0.04 7.15 6.50 2nlzA1 TYR 179 HE2 -0.58 0.10 -0.01 -0.04 6.85 6.31 2nlzA1 GLN 180 H 0.21 0.36 -0.34 -0.55 8.47 8.16 2nlzA1 GLN 180 HA 0.48 0.07 0.46 -0.75 4.36 4.62 2nlzA1 GLN 180 HB2 0.19 0.05 0.18 -0.04 2.15 2.52 2nlzA1 GLN 180 HB3 0.18 0.09 0.16 -0.04 2.02 2.40 2nlzA1 GLN 180 HG2 0.13 -0.01 0.02 -0.04 2.40 2.49 2nlzA1 GLN 180 HG3 0.17 -0.07 -0.11 -0.04 2.39 2.34 2nlzA1 GLN 180 HE21 0.09 0.05 -0.00 -0.04 6.97 7.06 2nlzA1 GLN 180 HE22 0.15 -0.04 -0.02 -0.04 7.69 7.73 2nlzA1 PRO 181 HA 0.09 0.01 0.51 -0.51 4.44 4.55 2nlzA1 PRO 181 HB2 -0.05 0.17 0.00 -0.04 2.28 2.37 2nlzA1 PRO 181 HB3 -0.08 -0.20 0.03 -0.04 2.02 1.73 2nlzA1 PRO 181 HG2 -0.33 0.18 0.17 -0.04 2.03 2.01 2nlzA1 PRO 181 HG3 -0.01 -0.05 0.11 -0.04 2.03 2.04 2nlzA1 PRO 181 HD2 0.14 0.35 0.02 -0.04 3.68 4.15 2nlzA1 PRO 181 HD3 0.17 0.17 0.16 -0.04 3.65 4.11 2nlzA1 TRP 182 H 0.38 0.30 -0.34 -0.55 7.97 7.77 2nlzA1 TRP 182 HA 0.14 -0.02 0.45 -0.75 4.62 4.44 2nlzA1 TRP 182 HB2 0.13 0.15 0.10 -0.04 3.23 3.57 2nlzA1 TRP 182 HB3 0.07 0.23 0.13 -0.04 3.23 3.62 2nlzA1 TRP 182 HD1 0.31 -0.04 -0.12 -0.04 7.22 7.33 2nlzA1 TRP 182 HE1 -0.68 0.02 -0.04 -0.04 10.20 9.45 2nlzA1 TRP 182 HE3 -0.93 0.06 -0.39 -0.04 7.59 6.29 2nlzA1 TRP 182 HZ2 -1.93 -0.02 -0.09 -0.04 7.44 5.36 2nlzA1 TRP 182 HZ3 -0.24 0.00 -0.15 -0.04 7.13 6.70 2nlzA1 TRP 182 HH2 -0.21 -0.00 -0.26 -0.04 7.19 6.67 2nlzA1 PHE 183 H 0.64 0.42 -0.08 -0.55 8.34 8.76 2nlzA1 PHE 183 HA 0.38 0.02 0.45 -0.75 4.62 4.72 2nlzA1 PHE 183 HB2 0.30 0.10 0.15 -0.04 3.15 3.66 2nlzA1 PHE 183 HB3 0.29 0.01 0.02 -0.04 3.06 3.33 2nlzA1 PHE 183 HD2 0.51 0.04 -0.01 -0.04 7.28 7.78 2nlzA1 PHE 183 HE2 0.22 0.00 -0.01 -0.04 7.38 7.54 2nlzA1 PHE 183 HZ -0.06 0.12 -0.17 -0.04 7.32 7.17 2nlzA1 ASP 184 H 0.25 0.34 -0.24 -0.55 8.40 8.19 2nlzA1 ASP 184 HA 0.12 0.11 0.44 -0.75 4.63 4.55 2nlzA1 ASP 184 HB2 0.07 -0.01 0.16 -0.04 2.71 2.89 2nlzA1 ASP 184 HB3 0.05 -0.07 0.04 -0.04 2.70 2.68 2nlzA1 THR 185 H -0.05 0.46 -0.18 -0.55 8.28 7.96 2nlzA1 THR 185 HA -0.05 0.01 0.57 -0.75 4.39 4.17 2nlzA1 THR 185 HB -0.69 0.08 0.18 -0.04 4.32 3.84 2nlzA1 THR 185 HG23 -0.44 -0.03 -0.08 -0.04 1.22 0.63 2nlzA1 PHE 186 H -0.37 0.73 0.11 -0.55 8.34 8.26 2nlzA1 PHE 186 HA 0.25 0.13 0.58 -0.75 4.62 4.83 2nlzA1 PHE 186 HB2 -2.01 0.11 0.06 -0.04 3.15 1.26 2nlzA1 PHE 186 HB3 -0.61 -0.04 0.08 -0.04 3.06 2.44 2nlzA1 PHE 186 HD2 -1.17 0.04 0.00 -0.04 7.28 6.11 2nlzA1 PHE 186 HE2 0.15 -0.01 -0.03 -0.04 7.38 7.45 2nlzA1 PHE 186 HZ 0.35 -0.02 0.02 -0.04 7.32 7.64 2nlzA1 ALA 187 H 0.02 0.22 -0.25 -0.55 8.40 7.84 2nlzA1 ALA 187 HA -0.05 0.25 0.79 -0.75 4.34 4.58 2nlzA1 ALA 187 HB3 0.16 -0.04 -0.03 -0.04 1.41 1.46 2nlzA1 PRO 188 HA 0.08 0.15 0.31 -0.51 4.44 4.46 2nlzA1 PRO 188 HB2 0.01 -0.07 0.06 -0.04 2.28 2.24 2nlzA1 PRO 188 HB3 0.05 0.23 0.15 -0.04 2.02 2.40 2nlzA1 PRO 188 HG2 0.06 -0.05 0.04 -0.04 2.03 2.04 2nlzA1 PRO 188 HG3 0.14 0.09 0.09 -0.04 2.03 2.31 2nlzA1 PRO 188 HD2 0.08 0.10 -0.01 -0.04 3.68 3.81 2nlzA1 PRO 188 HD3 0.29 0.20 -0.35 -0.04 3.65 3.75 2nlzA1 LYS 189 H -0.02 0.18 -0.24 -0.55 8.42 7.79 2nlzA1 LYS 189 HA -0.01 0.19 0.83 -0.75 4.32 4.57 2nlzA1 LYS 189 HB2 -0.06 0.03 0.02 -0.04 1.87 1.82 2nlzA1 LYS 189 HB3 -0.05 -0.01 0.11 -0.04 1.79 1.79 2nlzA1 LYS 189 HG2 -0.04 -0.03 0.03 -0.04 1.46 1.38 2nlzA1 LYS 189 HG3 -0.02 0.04 0.02 -0.04 1.46 1.45 2nlzA1 LYS 189 HD2 -0.03 0.01 -0.07 -0.04 1.69 1.56 2nlzA1 LYS 189 HD3 -0.05 0.01 -0.02 -0.04 1.68 1.58 2nlzA1 LYS 189 HE2 -0.04 -0.03 0.00 -0.04 2.99 2.88 2nlzA1 LYS 189 HE3 -0.04 -0.01 -0.01 -0.04 2.99 2.90 2nlzA1 GLY 190 H 0.03 0.48 -0.35 -0.55 8.43 8.04 2nlzA1 GLY 190 HA2 0.09 0.05 0.29 -0.51 4.01 3.94 2nlzA1 GLY 190 HA3 0.04 0.03 0.46 -0.51 4.01 4.02 2nlzA1 ARG 191 H -0.15 0.12 -0.38 -0.55 8.46 7.49 2nlzA1 ARG 191 HA -1.07 0.06 0.30 -0.75 4.34 2.88 2nlzA1 ARG 191 HB2 -0.20 -0.06 0.14 -0.04 1.90 1.75 2nlzA1 ARG 191 HB3 -0.11 0.08 -0.24 -0.04 1.80 1.49 2nlzA1 ARG 191 HG2 -0.22 0.25 -0.47 -0.04 1.67 1.19 2nlzA1 ARG 191 HG3 -0.11 -0.05 -0.09 -0.04 1.67 1.38 2nlzA1 ARG 191 HD2 -0.08 0.03 -0.16 -0.04 3.22 2.97 2nlzA1 ARG 191 HD3 -0.12 -0.09 -0.30 -0.04 3.22 2.67 2nlzA1 ALA 192 H -0.53 0.08 0.10 -0.55 8.40 7.50 2nlzA1 ALA 192 HA -0.41 0.25 0.75 -0.75 4.34 4.17 2nlzA1 ALA 192 HB3 -0.03 -0.02 -0.05 -0.04 1.41 1.28 2nlzA1 PRO 193 HA -0.30 -0.03 0.26 -0.51 4.44 3.85 2nlzA1 PRO 193 HB2 -0.69 -0.01 -0.03 -0.04 2.28 1.51 2nlzA1 PRO 193 HB3 -0.41 0.03 -0.01 -0.04 2.02 1.59 2nlzA1 PRO 193 HG2 -2.14 0.02 0.07 -0.04 2.03 -0.06 2nlzA1 PRO 193 HG3 -0.65 0.05 0.09 -0.04 2.03 1.48 2nlzA1 PRO 193 HD2 -2.28 0.03 0.18 -0.04 3.68 1.57 2nlzA1 PRO 193 HD3 -0.95 0.34 0.36 -0.04 3.65 3.37 2nlzA1 ARG 194 H -0.16 0.05 0.12 -0.55 8.46 7.91 2nlzA1 ARG 194 HA -0.10 0.16 0.66 -0.75 4.34 4.31 2nlzA1 ARG 194 HB2 -0.07 0.01 0.01 -0.04 1.90 1.80 2nlzA1 ARG 194 HB3 -0.06 -0.05 0.16 -0.04 1.80 1.81 2nlzA1 ARG 194 HG2 -0.08 0.07 -0.01 -0.04 1.67 1.61 2nlzA1 ARG 194 HG3 -0.10 -0.02 0.03 -0.04 1.67 1.54 2nlzA1 ARG 194 HD2 -0.05 -0.00 0.01 -0.04 3.22 3.13 2nlzA1 ARG 194 HD3 -0.04 -0.01 0.02 -0.04 3.22 3.14 2nlzA1 VAL 195 H -0.04 0.10 0.13 -0.55 8.24 7.88 2nlzA1 VAL 195 HA -0.02 0.20 0.45 -0.75 4.13 4.01 2nlzA1 VAL 195 HB -0.02 -0.00 0.12 -0.04 2.12 2.17 2nlzA1 VAL 195 HG13 -0.00 -0.00 -0.01 -0.04 0.97 0.91 2nlzA1 VAL 195 HG23 -0.01 -0.01 0.06 -0.04 0.95 0.95 2nlzA1 GLY 196 H -0.01 0.62 0.29 -0.55 8.43 8.79 2nlzA1 GLY 196 HA2 -0.00 -0.03 0.31 -0.51 4.01 3.78 2nlzA1 GLY 196 HA3 -0.02 0.08 0.40 -0.51 4.01 3.96 2nlzA1 GLU 197 H -0.06 0.31 -0.71 -0.55 8.60 7.59 2nlzA1 GLU 197 HA -0.05 0.04 0.54 -0.75 4.29 4.07 2nlzA1 GLU 197 HB2 -0.08 -0.05 -0.02 -0.04 2.09 1.90 2nlzA1 GLU 197 HB3 -0.13 0.05 0.03 -0.04 1.99 1.90 2nlzA1 GLU 197 HG2 -0.08 0.20 -0.03 -0.04 2.34 2.39 2nlzA1 GLU 197 HG3 -0.06 -0.02 0.05 -0.04 2.34 2.27 2nlzA1 VAL 198 H -0.05 0.10 0.16 -0.55 8.24 7.90 2nlzA1 VAL 198 HA -0.07 0.25 0.59 -0.75 4.13 4.15 2nlzA1 VAL 198 HB -0.05 -0.06 0.09 -0.04 2.12 2.07 2nlzA1 VAL 198 HG13 -0.06 -0.01 -0.27 -0.04 0.97 0.59 2nlzA1 VAL 198 HG23 -0.01 -0.00 -0.19 -0.04 0.95 0.71 2nlzA1 TRP 199 H -0.16 0.54 0.32 -0.55 7.97 8.12 2nlzA1 TRP 199 HA -0.20 0.14 0.89 -0.75 4.62 4.69 2nlzA1 TRP 199 HB2 -0.44 -0.01 0.01 -0.04 3.23 2.74 2nlzA1 TRP 199 HB3 -0.48 -0.00 0.12 -0.04 3.23 2.82 2nlzA1 TRP 199 HD1 -0.19 -0.06 0.09 -0.04 7.22 7.03 2nlzA1 TRP 199 HE1 0.10 0.37 0.23 -0.04 10.20 10.86 2nlzA1 TRP 199 HE3 -0.13 -0.04 -0.15 -0.04 7.59 7.22 2nlzA1 TRP 199 HZ2 0.02 -0.04 -0.10 -0.04 7.44 7.28 2nlzA1 TRP 199 HZ3 0.24 0.08 -0.04 -0.04 7.13 7.37 2nlzA1 TRP 199 HH2 -0.30 -0.07 -0.03 -0.04 7.19 6.74 2nlzA1 ARG 200 H -0.91 0.25 0.21 -0.55 8.46 7.45 2nlzA1 ARG 200 HA -0.65 0.19 0.79 -0.75 4.34 3.93 2nlzA1 ARG 200 HB2 -0.29 0.10 -0.03 -0.04 1.90 1.64 2nlzA1 ARG 200 HB3 -0.23 0.05 -0.32 -0.04 1.80 1.26 2nlzA1 ARG 200 HG2 -0.28 -0.06 -0.13 -0.04 1.67 1.16 2nlzA1 ARG 200 HG3 -0.33 -0.07 -0.10 -0.04 1.67 1.14 2nlzA1 ARG 200 HD2 -0.12 0.11 -0.17 -0.04 3.22 2.99 2nlzA1 ARG 200 HD3 -0.13 -0.07 -0.07 -0.04 3.22 2.91 2nlzA1 SER 201 H -0.44 0.71 0.17 -0.55 8.46 8.35 2nlzA1 SER 201 HA -0.36 0.11 0.68 -0.75 4.49 4.17 2nlzA1 SER 201 HB2 -0.78 0.27 -0.11 -0.04 3.95 3.29 2nlzA1 SER 201 HB3 -0.28 -0.01 0.12 -0.04 3.93 3.73 2nlzA1 GLN 202 H -0.14 0.26 0.08 -0.55 8.47 8.12 2nlzA1 GLN 202 HA -0.05 0.10 0.43 -0.75 4.36 4.10 2nlzA1 GLN 202 HB2 -0.06 0.03 0.13 -0.04 2.15 2.20 2nlzA1 GLN 202 HB3 -0.03 0.03 -0.08 -0.04 2.02 1.90 2nlzA1 GLN 202 HG2 -0.06 0.08 0.05 -0.04 2.40 2.43 2nlzA1 GLN 202 HG3 -0.04 0.02 0.02 -0.04 2.39 2.36 2nlzA1 GLN 202 HE21 -0.02 -0.02 0.00 -0.04 6.97 6.88 2nlzA1 GLN 202 HE22 -0.04 0.08 0.01 -0.04 7.69 7.70 2nlzA1 GLY 203 H -0.02 0.10 -0.25 -0.55 8.43 7.71 2nlzA1 GLY 203 HA2 -0.00 0.27 0.29 -0.51 4.01 4.06 2nlzA1 GLY 203 HA3 0.00 -0.06 -0.13 -0.51 4.01 3.32 2nlzA1 HIS 204 H 0.25 0.10 -0.32 -0.55 8.41 7.89 2nlzA1 HIS 204 HA 0.10 0.10 0.27 -0.75 4.63 4.35 2nlzA1 HIS 204 HB2 0.06 0.14 0.11 -0.04 3.26 3.53 2nlzA1 HIS 204 HB3 0.13 -0.00 -0.08 -0.04 3.20 3.21 2nlzA1 HIS 204 HD2 0.25 -0.05 -0.12 -0.04 6.97 7.01 2nlzA1 HIS 204 HE1 0.20 -0.04 0.03 -0.04 7.75 7.91 2nlzA1 ALA 205 H 0.09 0.41 -0.29 -0.55 8.40 8.06 2nlzA1 ALA 205 HA 0.06 -0.01 0.41 -0.75 4.34 4.05 2nlzA1 ALA 205 HB3 0.01 0.02 0.06 -0.04 1.41 1.47 2nlzA1 ASP 206 H 0.03 0.69 -0.06 -0.55 8.40 8.51 2nlzA1 ASP 206 HA 0.02 -0.02 0.35 -0.75 4.63 4.23 2nlzA1 ASP 206 HB2 0.02 0.18 0.21 -0.04 2.71 3.08 2nlzA1 ASP 206 HB3 0.02 -0.08 0.01 -0.04 2.70 2.60 2nlzA1 THR 207 H 0.04 0.63 -0.10 -0.55 8.28 8.30 2nlzA1 THR 207 HA 0.06 -0.03 0.35 -0.75 4.39 4.02 2nlzA1 THR 207 HB 0.05 -0.02 0.07 -0.04 4.32 4.39 2nlzA1 THR 207 HG23 0.03 0.14 0.04 -0.04 1.22 1.39 2nlzA1 LEU 208 H 0.08 0.64 -0.13 -0.55 8.37 8.41 2nlzA1 LEU 208 HA 0.12 -0.01 0.50 -0.75 4.35 4.20 2nlzA1 LEU 208 HB2 0.06 0.16 0.14 -0.04 1.64 1.96 2nlzA1 LEU 208 HB3 0.02 -0.04 -0.05 -0.04 1.64 1.52 2nlzA1 LEU 208 HG 0.13 0.07 0.02 -0.04 1.64 1.82 2nlzA1 LEU 208 HD13 0.08 -0.00 -0.21 -0.04 0.93 0.76 2nlzA1 LEU 208 HD23 0.06 -0.03 -0.02 -0.04 0.89 0.86 2nlzA1 ARG 209 H 0.04 0.73 -0.07 -0.55 8.46 8.61 2nlzA1 ARG 209 HA 0.02 -0.02 0.46 -0.75 4.34 4.05 2nlzA1 ARG 209 HB2 0.02 0.08 0.12 -0.04 1.90 2.07 2nlzA1 ARG 209 HB3 0.02 0.18 0.14 -0.04 1.80 2.10 2nlzA1 ARG 209 HG2 0.01 -0.01 -0.07 -0.04 1.67 1.57 2nlzA1 ARG 209 HG3 0.01 -0.10 0.05 -0.04 1.67 1.59 2nlzA1 ARG 209 HD2 0.00 -0.02 -0.02 -0.04 3.22 3.14 2nlzA1 ARG 209 HD3 -0.00 -0.01 -0.01 -0.04 3.22 3.16 2nlzA1 SER 210 H 0.05 0.46 -0.28 -0.55 8.46 8.15 2nlzA1 SER 210 HA 0.04 0.04 0.37 -0.75 4.49 4.18 2nlzA1 SER 210 HB2 0.04 0.13 0.07 -0.04 3.95 4.16 2nlzA1 SER 210 HB3 0.07 0.12 0.11 -0.04 3.93 4.19 2nlzA1 ILE 211 H 0.09 0.59 -0.18 -0.55 8.25 8.21 2nlzA1 ILE 211 HA 0.10 -0.10 0.71 -0.75 4.18 4.14 2nlzA1 ILE 211 HB 0.15 -0.07 0.06 -0.04 1.89 1.99 2nlzA1 ILE 211 HG12 0.14 0.22 0.27 -0.04 1.49 2.08 2nlzA1 ILE 211 HG13 0.24 -0.00 -0.02 -0.04 1.21 1.38 2nlzA1 ILE 211 HG23 0.10 -0.02 -0.04 -0.04 0.93 0.93 2nlzA1 ILE 211 HD13 0.20 -0.01 -0.05 -0.04 0.88 0.97 2nlzA1 ALA 212 H 0.07 0.56 -0.23 -0.55 8.40 8.25 2nlzA1 ALA 212 HA 0.05 -0.03 0.33 -0.75 4.34 3.95 2nlzA1 ALA 212 HB3 0.02 0.04 0.02 -0.04 1.41 1.45 2nlzA1 GLU 213 H 0.04 0.54 -0.17 -0.55 8.60 8.46 2nlzA1 GLU 213 HA 0.03 0.07 0.41 -0.75 4.29 4.04 2nlzA1 GLU 213 HB2 0.03 0.09 0.08 -0.04 2.09 2.24 2nlzA1 GLU 213 HB3 0.02 -0.02 0.07 -0.04 1.99 2.02 2nlzA1 GLU 213 HG2 0.01 -0.03 0.01 -0.04 2.34 2.29 2nlzA1 GLU 213 HG3 0.02 -0.01 0.00 -0.04 2.34 2.31 2nlzA1 SER 214 H 0.06 0.10 -0.54 -0.55 8.46 7.54 2nlzA1 SER 214 HA 0.04 0.31 0.95 -0.75 4.49 5.05 2nlzA1 SER 214 HB2 0.06 -0.01 0.14 -0.04 3.95 4.10 2nlzA1 SER 214 HB3 0.05 0.14 0.02 -0.04 3.93 4.10 2nlzA1 ASN 215 H 0.06 0.29 -0.24 -0.55 8.53 8.09 2nlzA1 ASN 215 HA 0.08 0.05 0.35 -0.75 4.76 4.49 2nlzA1 ASN 215 HB2 0.05 0.13 -0.01 -0.04 2.88 3.01 2nlzA1 ASN 215 HB3 0.06 0.02 0.30 -0.04 2.79 3.13 2nlzA1 ASN 215 HD21 0.03 -0.01 0.00 -0.04 7.03 7.00 2nlzA1 ASN 215 HD22 0.03 0.04 -0.04 -0.04 7.74 7.73 2nlzA1 GLY 216 H 0.11 0.35 -0.02 -0.55 8.43 8.33 2nlzA1 GLY 216 HA2 0.14 -0.06 0.28 -0.51 4.01 3.86 2nlzA1 GLY 216 HA3 0.18 0.20 0.39 -0.51 4.01 4.27 2nlzA1 GLU 217 H 0.11 0.40 -0.64 -0.55 8.60 7.93 2nlzA1 GLU 217 HA 0.18 0.14 0.28 -0.75 4.29 4.14 2nlzA1 GLU 217 HB2 0.08 0.39 0.12 -0.04 2.09 2.63 2nlzA1 GLU 217 HB3 0.07 -0.08 -0.03 -0.04 1.99 1.92 2nlzA1 GLU 217 HG2 0.05 0.02 0.00 -0.04 2.34 2.38 2nlzA1 GLU 217 HG3 0.08 -0.06 -0.01 -0.04 2.34 2.31 2nlzA1 SER 218 H 0.10 0.12 -0.23 -0.55 8.46 7.91 2nlzA1 SER 218 HA 0.05 -0.04 0.32 -0.75 4.49 4.07 2nlzA1 SER 218 HB2 0.06 0.14 0.06 -0.04 3.95 4.17 2nlzA1 SER 218 HB3 0.09 0.07 -0.13 -0.04 3.93 3.91 2nlzA1 PHE 219 H 0.16 0.21 -0.46 -0.55 8.34 7.70 2nlzA1 PHE 219 HA -0.15 -0.03 0.28 -0.75 4.62 3.97 2nlzA1 PHE 219 HB2 -0.18 -0.10 0.00 -0.04 3.15 2.83 2nlzA1 PHE 219 HB3 -0.58 0.20 0.01 -0.04 3.06 2.66 2nlzA1 PHE 219 HD2 -1.12 -0.00 -0.14 -0.04 7.28 5.99 2nlzA1 PHE 219 HE2 -0.23 0.07 -0.06 -0.04 7.38 7.12 2nlzA1 PHE 219 HZ -0.14 -0.02 -0.06 -0.04 7.32 7.06 2nlzA1 TYR 220 H 0.16 0.22 -0.26 -0.55 8.29 7.86 2nlzA1 TYR 220 HA -0.02 0.15 0.66 -0.75 4.56 4.60 2nlzA1 TYR 220 HB2 0.11 -0.01 0.05 -0.04 3.06 3.17 2nlzA1 TYR 220 HB3 0.10 0.26 -0.14 -0.04 2.98 3.16 2nlzA1 TYR 220 HD2 0.14 0.07 0.00 -0.04 7.15 7.32 2nlzA1 TYR 220 HE2 -0.04 0.03 -0.06 -0.04 6.85 6.73 2nlzA1 ARG 221 H 0.14 0.53 0.07 -0.55 8.46 8.66 2nlzA1 ARG 221 HA 0.03 0.14 0.80 -0.75 4.34 4.56 2nlzA1 ARG 221 HB2 0.04 -0.05 0.21 -0.04 1.90 2.05 2nlzA1 ARG 221 HB3 0.06 0.08 -0.01 -0.04 1.80 1.89 2nlzA1 ARG 221 HG2 0.13 -0.05 0.07 -0.04 1.67 1.78 2nlzA1 ARG 221 HG3 0.07 -0.06 0.05 -0.04 1.67 1.68 2nlzA1 ARG 221 HD2 0.04 -0.06 0.03 -0.04 3.22 3.19 2nlzA1 ARG 221 HD3 0.03 -0.02 0.05 -0.04 3.22 3.24 2nlzA1 GLY 222 H 0.01 0.12 -0.22 -0.55 8.43 7.80 2nlzA1 GLY 222 HA2 0.02 0.23 0.74 -0.51 4.01 4.49 2nlzA1 GLY 222 HA3 0.03 -0.12 0.33 -0.51 4.01 3.73 2nlzA1 GLU 223 H 0.02 0.12 0.17 -0.55 8.60 8.36 2nlzA1 GLU 223 HA 0.01 0.12 0.33 -0.75 4.29 3.99 2nlzA1 GLU 223 HB2 0.02 0.02 0.12 -0.04 2.09 2.21 2nlzA1 GLU 223 HB3 0.02 0.01 0.02 -0.04 1.99 1.99 2nlzA1 GLU 223 HG2 0.01 -0.01 0.07 -0.04 2.34 2.37 2nlzA1 GLU 223 HG3 0.01 0.03 0.01 -0.04 2.34 2.36 2nlzA1 LEU 224 H 0.00 0.12 -0.05 -0.55 8.37 7.89 2nlzA1 LEU 224 HA -0.02 0.07 0.48 -0.75 4.35 4.13 2nlzA1 LEU 224 HB2 -0.02 0.07 -0.39 -0.04 1.64 1.26 2nlzA1 LEU 224 HB3 -0.08 0.05 -0.09 -0.04 1.64 1.48 2nlzA1 LEU 224 HG 0.04 -0.07 -0.09 -0.04 1.64 1.47 2nlzA1 LEU 224 HD13 0.15 -0.01 -0.16 -0.04 0.93 0.87 2nlzA1 LEU 224 HD23 0.04 0.02 -0.06 -0.04 0.89 0.84 2nlzA1 ALA 225 H -0.09 0.41 -0.25 -0.55 8.40 7.92 2nlzA1 ALA 225 HA -0.23 0.13 0.36 -0.75 4.34 3.84 2nlzA1 ALA 225 HB3 -0.07 0.05 -0.28 -0.04 1.41 1.07 2nlzA1 ASP 226 H -0.02 0.31 -0.40 -0.55 8.40 7.74 2nlzA1 ASP 226 HA 0.04 -0.00 0.47 -0.75 4.63 4.38 2nlzA1 ASP 226 HB2 0.01 0.16 0.12 -0.04 2.71 2.96 2nlzA1 ASP 226 HB3 0.03 -0.04 0.01 -0.04 2.70 2.67 2nlzA1 GLN 227 H 0.01 0.40 -0.14 -0.55 8.47 8.19 2nlzA1 GLN 227 HA 0.06 0.03 0.47 -0.75 4.36 4.16 2nlzA1 GLN 227 HB2 -0.00 0.10 0.18 -0.04 2.15 2.39 2nlzA1 GLN 227 HB3 0.02 -0.02 -0.02 -0.04 2.02 1.96 2nlzA1 GLN 227 HG2 0.03 -0.03 0.02 -0.04 2.40 2.38 2nlzA1 GLN 227 HG3 0.02 0.11 0.05 -0.04 2.39 2.52 2nlzA1 GLN 227 HE21 -0.00 0.03 -0.08 -0.04 6.97 6.88 2nlzA1 GLN 227 HE22 0.00 0.00 -0.04 -0.04 7.69 7.62 2nlzA1 ILE 228 H -0.02 0.61 -0.13 -0.55 8.25 8.16 2nlzA1 ILE 228 HA 0.16 0.01 0.50 -0.75 4.18 4.09 2nlzA1 ILE 228 HB -0.13 0.14 0.11 -0.04 1.89 1.96 2nlzA1 ILE 228 HG12 -0.07 -0.07 -0.02 -0.04 1.49 1.29 2nlzA1 ILE 228 HG13 -0.13 0.07 -0.01 -0.04 1.21 1.09 2nlzA1 ILE 228 HG23 -0.14 -0.01 -0.17 -0.04 0.93 0.58 2nlzA1 ILE 228 HD13 -0.70 0.01 -0.09 -0.04 0.88 0.06 2nlzA1 HIS 229 H 0.11 0.60 -0.10 -0.55 8.41 8.47 2nlzA1 HIS 229 HA 0.02 0.10 0.33 -0.75 4.63 4.32 2nlzA1 HIS 229 HB2 -0.03 -0.02 0.05 -0.04 3.26 3.23 2nlzA1 HIS 229 HB3 0.00 0.12 0.20 -0.04 3.20 3.48 2nlzA1 HIS 229 HD2 0.02 0.07 -0.09 -0.04 6.97 6.91 2nlzA1 HIS 229 HE1 0.00 0.03 0.05 -0.04 7.75 7.79 2nlzA1 ALA 230 H 0.15 0.50 -0.26 -0.55 8.40 8.23 2nlzA1 ALA 230 HA -0.04 0.01 0.38 -0.75 4.34 3.94 2nlzA1 ALA 230 HB3 0.09 0.02 0.10 -0.04 1.41 1.59 2nlzA1 PHE 231 H 0.27 0.46 -0.13 -0.55 8.34 8.38 2nlzA1 PHE 231 HA 0.05 0.04 0.47 -0.75 4.62 4.43 2nlzA1 PHE 231 HB2 0.05 0.05 0.19 -0.04 3.15 3.40 2nlzA1 PHE 231 HB3 0.10 0.07 0.13 -0.04 3.06 3.31 2nlzA1 PHE 231 HD2 -0.11 -0.01 -0.05 -0.04 7.28 7.07 2nlzA1 PHE 231 HE2 -0.16 -0.02 0.01 -0.04 7.38 7.17 2nlzA1 PHE 231 HZ -0.30 0.09 0.13 -0.04 7.32 7.20 2nlzA1 PHE 232 H 0.37 0.47 -0.21 -0.55 8.34 8.42 2nlzA1 PHE 232 HA -0.11 0.03 0.54 -0.75 4.62 4.33 2nlzA1 PHE 232 HB2 -0.04 0.20 0.14 -0.04 3.15 3.41 2nlzA1 PHE 232 HB3 -0.06 -0.08 -0.04 -0.04 3.06 2.83 2nlzA1 PHE 232 HD2 0.07 0.06 0.08 -0.04 7.28 7.44 2nlzA1 PHE 232 HE2 0.08 0.06 0.02 -0.04 7.38 7.50 2nlzA1 PHE 232 HZ 0.08 0.02 -0.03 -0.04 7.32 7.35 2nlzA1 ASP 233 H -0.09 0.62 -0.04 -0.55 8.40 8.34 2nlzA1 ASP 233 HA -0.13 0.06 0.41 -0.75 4.63 4.21 2nlzA1 ASP 233 HB2 -0.45 0.06 0.14 -0.04 2.71 2.43 2nlzA1 ASP 233 HB3 -0.18 0.07 0.12 -0.04 2.70 2.66 2nlzA1 LYS 234 H -0.15 0.35 -0.42 -0.55 8.42 7.66 2nlzA1 LYS 234 HA -0.21 0.03 0.44 -0.75 4.32 3.83 2nlzA1 LYS 234 HB2 -0.13 0.14 0.15 -0.04 1.87 1.99 2nlzA1 LYS 234 HB3 -0.35 0.09 0.08 -0.04 1.79 1.57 2nlzA1 LYS 234 HG2 -0.45 -0.02 0.05 -0.04 1.46 0.99 2nlzA1 LYS 234 HG3 -0.18 -0.04 0.09 -0.04 1.46 1.29 2nlzA1 LYS 234 HD2 -0.06 0.01 0.01 -0.04 1.69 1.61 2nlzA1 LYS 234 HD3 -0.09 -0.04 0.01 -0.04 1.68 1.52 2nlzA1 LYS 234 HE2 -0.03 -0.03 0.00 -0.04 2.99 2.89 2nlzA1 LYS 234 HE3 -0.01 0.10 -0.03 -0.04 2.99 3.01 2nlzA1 HIS 235 H -0.22 0.29 -0.38 -0.55 8.41 7.56 2nlzA1 HIS 235 HA -0.23 0.19 0.95 -0.75 4.63 4.79 2nlzA1 HIS 235 HB2 -0.56 0.08 0.14 -0.04 3.26 2.88 2nlzA1 HIS 235 HB3 -0.35 -0.09 0.22 -0.04 3.20 2.93 2nlzA1 HIS 235 HD2 -0.22 -0.07 0.06 -0.04 6.97 6.69 2nlzA1 HIS 235 HE1 -0.34 -0.00 -0.04 -0.04 7.75 7.32 2nlzA1 GLY 236 H -0.15 0.28 -0.20 -0.55 8.43 7.81 2nlzA1 GLY 236 HA2 -0.16 0.04 0.30 -0.51 4.01 3.69 2nlzA1 GLY 236 HA3 -0.13 0.02 0.38 -0.51 4.01 3.77 2nlzA1 GLY 237 H -0.09 0.57 -0.01 -0.55 8.43 8.36 2nlzA1 GLY 237 HA2 -0.02 0.10 0.48 -0.51 4.01 4.07 2nlzA1 GLY 237 HA3 0.22 -0.06 0.28 -0.51 4.01 3.93 2nlzA1 TYR 238 H 0.29 0.19 0.15 -0.55 8.29 8.36 2nlzA1 TYR 238 HA 0.04 0.21 0.70 -0.75 4.56 4.76 2nlzA1 TYR 238 HB2 0.05 0.12 0.03 -0.04 3.06 3.22 2nlzA1 TYR 238 HB3 0.02 -0.20 -0.09 -0.04 2.98 2.67 2nlzA1 TYR 238 HD2 0.04 -0.02 -0.14 -0.04 7.15 6.99 2nlzA1 TYR 238 HE2 0.04 -0.01 -0.05 -0.04 6.85 6.79 2nlzA1 LEU 239 H 0.11 0.04 0.03 -0.55 8.37 8.01 2nlzA1 LEU 239 HA -0.04 -0.03 0.51 -0.75 4.35 4.04 2nlzA1 LEU 239 HB2 -0.47 0.04 0.13 -0.04 1.64 1.30 2nlzA1 LEU 239 HB3 -0.84 -0.01 0.01 -0.04 1.64 0.76 2nlzA1 LEU 239 HG -0.36 0.12 -0.14 -0.04 1.64 1.21 2nlzA1 LEU 239 HD13 -0.53 -0.00 -0.15 -0.04 0.93 0.20 2nlzA1 LEU 239 HD23 -0.09 -0.02 -0.03 -0.04 0.89 0.72 2nlzA1 THR 240 H 0.01 0.06 0.25 -0.55 8.28 8.05 2nlzA1 THR 240 HA 0.36 0.33 1.00 -0.75 4.39 5.33 2nlzA1 THR 240 HB 0.12 -0.07 0.17 -0.04 4.32 4.50 2nlzA1 THR 240 HG23 0.11 0.11 -0.14 -0.04 1.22 1.26 2nlzA1 LYS 241 H -0.12 0.22 0.17 -0.55 8.42 8.13 2nlzA1 LYS 241 HA -0.06 0.18 0.51 -0.75 4.32 4.19 2nlzA1 LYS 241 HB2 -0.31 -0.07 0.17 -0.04 1.87 1.62 2nlzA1 LYS 241 HB3 -0.14 0.07 -0.04 -0.04 1.79 1.65 2nlzA1 LYS 241 HG2 -0.16 0.05 -0.07 -0.04 1.46 1.24 2nlzA1 LYS 241 HG3 -0.69 -0.02 0.08 -0.04 1.46 0.79 2nlzA1 LYS 241 HD2 -0.30 -0.01 0.02 -0.04 1.69 1.35 2nlzA1 LYS 241 HD3 -0.14 0.03 -0.03 -0.04 1.68 1.49 2nlzA1 LYS 241 HE2 -0.08 -0.01 0.00 -0.04 2.99 2.86 2nlzA1 LYS 241 HE3 -0.36 0.01 0.02 -0.04 2.99 2.62 2nlzA1 GLU 242 H -0.04 0.09 -0.10 -0.55 8.60 8.00 2nlzA1 GLU 242 HA -0.01 0.12 0.28 -0.75 4.29 3.93 2nlzA1 GLU 242 HB2 -0.00 -0.03 0.04 -0.04 2.09 2.05 2nlzA1 GLU 242 HB3 0.00 0.09 0.01 -0.04 1.99 2.05 2nlzA1 GLU 242 HG2 -0.02 0.07 0.01 -0.04 2.34 2.36 2nlzA1 GLU 242 HG3 -0.05 -0.06 -0.01 -0.04 2.34 2.18 2nlzA1 ASP 243 H 0.02 -0.01 -0.37 -0.55 8.40 7.49 2nlzA1 ASP 243 HA 0.03 0.12 0.55 -0.75 4.63 4.57 2nlzA1 ASP 243 HB2 0.00 0.12 0.21 -0.04 2.71 3.01 2nlzA1 ASP 243 HB3 0.01 0.10 -0.01 -0.04 2.70 2.76 2nlzA1 LEU 244 H 0.02 0.35 -0.09 -0.55 8.37 8.09 2nlzA1 LEU 244 HA 0.17 0.01 0.45 -0.75 4.35 4.22 2nlzA1 LEU 244 HB2 0.01 0.19 0.34 -0.04 1.64 2.13 2nlzA1 LEU 244 HB3 0.10 -0.04 0.21 -0.04 1.64 1.87 2nlzA1 LEU 244 HG -0.06 0.05 0.08 -0.04 1.64 1.68 2nlzA1 LEU 244 HD13 -0.21 0.00 0.04 -0.04 0.93 0.72 2nlzA1 LEU 244 HD23 -0.10 -0.02 -0.02 -0.04 0.89 0.71 2nlzA1 ALA 245 H 0.04 0.49 0.05 -0.55 8.40 8.44 2nlzA1 ALA 245 HA 0.09 0.01 0.03 -0.75 4.34 3.73 2nlzA1 ALA 245 HB3 0.01 -0.03 0.04 -0.04 1.41 1.39 2nlzA1 CYS 246 H 0.04 0.27 -0.40 -0.55 8.50 7.86 2nlzA1 CYS 246 HA -0.02 0.24 0.99 -0.75 4.58 5.03 2nlzA1 CYS 246 HB2 -0.01 -0.04 0.18 -0.04 2.97 3.06 2nlzA1 CYS 246 HB3 -0.00 -0.06 -0.00 -0.04 2.97 2.87 2nlzA1 TYR 247 H 0.09 0.48 -0.24 -0.55 8.29 8.07 2nlzA1 TYR 247 HA -0.11 0.05 0.84 -0.75 4.56 4.59 2nlzA1 TYR 247 HB2 -0.07 -0.03 0.08 -0.04 3.06 3.01 2nlzA1 TYR 247 HB3 -0.25 0.14 0.14 -0.04 2.98 2.96 2nlzA1 TYR 247 HD2 -0.77 -0.03 -0.10 -0.04 7.15 6.21 2nlzA1 TYR 247 HE2 -0.28 -0.02 -0.26 -0.04 6.85 6.26 2nlzA1 ARG 248 H -0.57 0.26 0.12 -0.55 8.46 7.71 2nlzA1 ARG 248 HA -0.72 0.14 0.58 -0.75 4.34 3.59 2nlzA1 ARG 248 HB2 -0.27 -0.04 0.03 -0.04 1.90 1.58 2nlzA1 ARG 248 HB3 -0.28 0.13 -0.03 -0.04 1.80 1.57 2nlzA1 ARG 248 HG2 -0.24 0.11 0.07 -0.04 1.67 1.56 2nlzA1 ARG 248 HG3 -0.16 -0.01 -0.17 -0.04 1.67 1.28 2nlzA1 ARG 248 HD2 -0.10 -0.04 -0.01 -0.04 3.22 3.03 2nlzA1 ARG 248 HD3 -0.13 0.04 0.02 -0.04 3.22 3.11 2nlzA1 PRO 249 HA -0.39 0.18 0.58 -0.51 4.44 4.31 2nlzA1 PRO 249 HB2 -0.43 -0.01 -0.20 -0.04 2.28 1.59 2nlzA1 PRO 249 HB3 -0.24 -0.02 -0.09 -0.04 2.02 1.62 2nlzA1 PRO 249 HG2 -0.24 0.02 -0.04 -0.04 2.03 1.72 2nlzA1 PRO 249 HG3 -0.18 0.02 -0.53 -0.04 2.03 1.30 2nlzA1 PRO 249 HD2 -0.41 0.12 0.15 -0.04 3.68 3.50 2nlzA1 PRO 249 HD3 -0.62 0.08 -0.06 -0.04 3.65 3.02 2nlzA1 GLU 250 H -0.30 0.42 0.20 -0.55 8.60 8.38 2nlzA1 GLU 250 HA -0.14 0.16 0.93 -0.75 4.29 4.48 2nlzA1 GLU 250 HB2 -0.12 0.09 -0.00 -0.04 2.09 2.02 2nlzA1 GLU 250 HB3 -0.12 0.00 0.21 -0.04 1.99 2.05 2nlzA1 GLU 250 HG2 0.00 -0.03 -0.44 -0.04 2.34 1.83 2nlzA1 GLU 250 HG3 -0.00 0.03 -0.02 -0.04 2.34 2.30 2nlzA1 TRP 251 H 0.10 0.18 0.13 -0.55 7.97 7.83 2nlzA1 TRP 251 HA 0.02 0.17 0.88 -0.75 4.62 4.93 2nlzA1 TRP 251 HB2 -0.01 -0.03 0.20 -0.04 3.23 3.35 2nlzA1 TRP 251 HB3 0.04 0.04 0.06 -0.04 3.23 3.33 2nlzA1 TRP 251 HD1 -0.05 0.02 0.02 -0.04 7.22 7.17 2nlzA1 TRP 251 HE1 -0.06 0.03 -0.07 -0.04 10.20 10.05 2nlzA1 TRP 251 HE3 0.09 0.17 -0.10 -0.04 7.59 7.72 2nlzA1 TRP 251 HZ2 0.04 0.10 -0.17 -0.04 7.44 7.37 2nlzA1 TRP 251 HZ3 0.12 -0.05 -0.31 -0.04 7.13 6.85 2nlzA1 TRP 251 HH2 0.26 -0.05 -0.13 -0.04 7.19 7.23 2nlzA1 VAL 252 H 0.20 0.66 0.42 -0.55 8.24 8.97 2nlzA1 VAL 252 HA 0.11 0.13 0.82 -0.75 4.13 4.44 2nlzA1 VAL 252 HB 0.04 0.04 -0.14 -0.04 2.12 2.02 2nlzA1 VAL 252 HG13 0.10 -0.00 -0.17 -0.04 0.97 0.85 2nlzA1 VAL 252 HG23 0.07 0.00 0.06 -0.04 0.95 1.04 2nlzA1 GLU 253 H 0.10 0.13 0.16 -0.55 8.60 8.43 2nlzA1 GLU 253 HA 0.11 0.21 0.92 -0.75 4.29 4.78 2nlzA1 GLU 253 HB2 0.08 -0.03 0.09 -0.04 2.09 2.19 2nlzA1 GLU 253 HB3 0.09 -0.06 0.18 -0.04 1.99 2.16 2nlzA1 GLU 253 HG2 0.09 -0.08 0.01 -0.04 2.34 2.31 2nlzA1 GLU 253 HG3 0.14 0.24 -0.15 -0.04 2.34 2.53 2nlzA1 PRO 254 HA 0.21 0.08 0.47 -0.51 4.44 4.69 2nlzA1 PRO 254 HB2 0.52 0.01 -0.15 -0.04 2.28 2.63 2nlzA1 PRO 254 HB3 0.18 -0.01 -0.07 -0.04 2.02 2.08 2nlzA1 PRO 254 HG2 -0.06 0.02 -0.01 -0.04 2.03 1.94 2nlzA1 PRO 254 HG3 -0.11 -0.00 -0.25 -0.04 2.03 1.62 2nlzA1 PRO 254 HD2 0.06 0.09 0.32 -0.04 3.68 4.11 2nlzA1 PRO 254 HD3 0.11 0.12 0.24 -0.04 3.65 4.08 2nlzA1 ILE 255 H 0.23 0.51 0.29 -0.55 8.25 8.73 2nlzA1 ILE 255 HA 0.14 0.16 0.91 -0.75 4.18 4.63 2nlzA1 ILE 255 HB 0.01 0.03 0.01 -0.04 1.89 1.89 2nlzA1 ILE 255 HG12 0.09 0.05 -0.15 -0.04 1.49 1.44 2nlzA1 ILE 255 HG13 0.06 -0.05 -0.15 -0.04 1.21 1.03 2nlzA1 ILE 255 HG23 0.07 0.01 -0.01 -0.04 0.93 0.95 2nlzA1 ILE 255 HD13 0.02 -0.01 -0.10 -0.04 0.88 0.74 2nlzA1 SER 256 H -0.20 0.18 0.16 -0.55 8.46 8.06 2nlzA1 SER 256 HA -0.38 0.39 0.96 -0.75 4.49 4.71 2nlzA1 SER 256 HB2 -1.30 -0.05 -0.10 -0.04 3.95 2.46 2nlzA1 SER 256 HB3 -2.80 -0.00 -0.41 -0.04 3.93 0.68 2nlzA1 ILE 257 H -0.33 0.33 0.26 -0.55 8.25 7.96 2nlzA1 ILE 257 HA -0.10 0.12 0.72 -0.75 4.18 4.17 2nlzA1 ILE 257 HB -0.07 -0.02 0.01 -0.04 1.89 1.77 2nlzA1 ILE 257 HG12 -0.05 -0.05 -0.29 -0.04 1.49 1.06 2nlzA1 ILE 257 HG13 -0.01 0.18 -0.07 -0.04 1.21 1.26 2nlzA1 ILE 257 HG23 0.04 -0.00 -0.34 -0.04 0.93 0.59 2nlzA1 ILE 257 HD13 -0.03 0.03 0.14 -0.04 0.88 0.98 2nlzA1 ASP 258 H -0.05 0.17 0.11 -0.55 8.40 8.08 2nlzA1 ASP 258 HA -0.02 0.29 0.88 -0.75 4.63 5.03 2nlzA1 ASP 258 HB2 -0.04 -0.02 0.09 -0.04 2.71 2.70 2nlzA1 ASP 258 HB3 -0.03 -0.01 0.18 -0.04 2.70 2.81 2nlzA1 TYR 259 H 0.12 0.63 0.08 -0.55 8.29 8.57 2nlzA1 TYR 259 HA -0.02 0.20 0.91 -0.75 4.56 4.89 2nlzA1 TYR 259 HB2 -0.04 -0.01 -0.14 -0.04 3.06 2.83 2nlzA1 TYR 259 HB3 -0.04 -0.04 0.06 -0.04 2.98 2.92 2nlzA1 TYR 259 HD2 -0.07 0.01 -0.10 -0.04 7.15 6.94 2nlzA1 TYR 259 HE2 -0.09 0.03 -0.09 -0.04 6.85 6.66 2nlzA1 ARG 260 H -0.21 0.24 -0.04 -0.55 8.46 7.90 2nlzA1 ARG 260 HA -0.14 0.04 0.29 -0.75 4.34 3.77 2nlzA1 ARG 260 HB2 -0.12 0.10 0.08 -0.04 1.90 1.91 2nlzA1 ARG 260 HB3 -0.14 0.01 0.13 -0.04 1.80 1.75 2nlzA1 ARG 260 HG2 -0.55 0.04 -0.01 -0.04 1.67 1.11 2nlzA1 ARG 260 HG3 -1.34 -0.03 -0.38 -0.04 1.67 -0.12 2nlzA1 ARG 260 HD2 -0.26 0.00 -0.09 -0.04 3.22 2.83 2nlzA1 ARG 260 HD3 -0.23 -0.01 -0.00 -0.04 3.22 2.94 2nlzA1 GLY 261 H -0.03 0.08 -0.27 -0.55 8.43 7.67 2nlzA1 GLY 261 HA2 -0.07 -0.04 0.30 -0.51 4.01 3.70 2nlzA1 GLY 261 HA3 -0.12 0.18 0.69 -0.51 4.01 4.26 2nlzA1 TYR 262 H 0.24 0.38 -0.52 -0.55 8.29 7.85 2nlzA1 TYR 262 HA -0.01 0.09 0.67 -0.75 4.56 4.56 2nlzA1 TYR 262 HB2 -0.00 0.15 0.06 -0.04 3.06 3.22 2nlzA1 TYR 262 HB3 -0.04 -0.01 0.06 -0.04 2.98 2.96 2nlzA1 TYR 262 HD2 -0.11 0.08 -0.08 -0.04 7.15 7.00 2nlzA1 TYR 262 HE2 -0.16 0.02 -0.03 -0.04 6.85 6.64 2nlzA1 ARG 263 H 0.18 0.77 0.41 -0.55 8.46 9.27 2nlzA1 ARG 263 HA -0.06 0.37 1.06 -0.75 4.34 4.96 2nlzA1 ARG 263 HB2 0.30 -0.08 0.09 -0.04 1.90 2.17 2nlzA1 ARG 263 HB3 -0.47 0.00 -0.07 -0.04 1.80 1.22 2nlzA1 ARG 263 HG2 -0.04 0.08 -0.14 -0.04 1.67 1.53 2nlzA1 ARG 263 HG3 0.09 -0.06 -0.15 -0.04 1.67 1.51 2nlzA1 ARG 263 HD2 0.06 -0.02 -0.10 -0.04 3.22 3.13 2nlzA1 ARG 263 HD3 0.20 -0.01 -0.11 -0.04 3.22 3.26 2nlzA1 VAL 264 H -0.13 0.45 0.27 -0.55 8.24 8.28 2nlzA1 VAL 264 HA 0.20 0.19 0.95 -0.75 4.13 4.72 2nlzA1 VAL 264 HB -0.01 -0.03 0.10 -0.04 2.12 2.14 2nlzA1 VAL 264 HG13 0.20 0.02 -0.13 -0.04 0.97 1.01 2nlzA1 VAL 264 HG23 -0.02 0.00 -0.10 -0.04 0.95 0.79 2nlzA1 TRP 265 H 0.51 0.76 0.42 -0.55 7.97 9.11 2nlzA1 TRP 265 HA 0.12 0.32 0.84 -0.75 4.62 5.14 2nlzA1 TRP 265 HB2 0.26 -0.07 0.08 -0.04 3.23 3.46 2nlzA1 TRP 265 HB3 0.14 0.02 -0.09 -0.04 3.23 3.25 2nlzA1 TRP 265 HD1 0.28 0.12 -0.23 -0.04 7.22 7.35 2nlzA1 TRP 265 HE1 0.16 -0.07 -0.15 -0.04 10.20 10.09 2nlzA1 TRP 265 HE3 0.08 0.04 -0.43 -0.04 7.59 7.24 2nlzA1 TRP 265 HZ2 0.10 -0.05 -0.13 -0.04 7.44 7.32 2nlzA1 TRP 265 HZ3 0.05 0.25 -0.27 -0.04 7.13 7.11 2nlzA1 TRP 265 HH2 0.05 -0.00 -0.11 -0.04 7.19 7.09 2nlzA1 GLU 266 H 0.25 0.67 0.34 -0.55 8.60 9.32 2nlzA1 GLU 266 HA 0.14 0.23 0.69 -0.75 4.29 4.59 2nlzA1 GLU 266 HB2 0.05 -0.01 -0.20 -0.04 2.09 1.88 2nlzA1 GLU 266 HB3 0.00 -0.06 0.03 -0.04 1.99 1.93 2nlzA1 GLU 266 HG2 0.13 -0.03 -0.62 -0.04 2.34 1.79 2nlzA1 GLU 266 HG3 0.04 0.14 -0.21 -0.04 2.34 2.27 2nlzA1 ILE 267 H 0.03 0.17 0.13 -0.55 8.25 8.02 2nlzA1 ILE 267 HA 0.11 0.09 0.61 -0.75 4.18 4.24 2nlzA1 ILE 267 HB -0.13 -0.09 0.13 -0.04 1.89 1.76 2nlzA1 ILE 267 HG12 0.06 0.04 0.04 -0.04 1.49 1.58 2nlzA1 ILE 267 HG13 0.18 -0.03 0.02 -0.04 1.21 1.34 2nlzA1 ILE 267 HG23 0.16 0.08 -0.08 -0.04 0.93 1.05 2nlzA1 ILE 267 HD13 0.14 0.05 -0.04 -0.04 0.88 0.99 2nlzA1 PRO 268 HA 0.03 0.03 0.45 -0.51 4.44 4.45 2nlzA1 PRO 268 HB2 0.06 0.06 0.07 -0.04 2.28 2.42 2nlzA1 PRO 268 HB3 0.07 0.04 0.13 -0.04 2.02 2.22 2nlzA1 PRO 268 HG2 0.08 0.03 0.01 -0.04 2.03 2.11 2nlzA1 PRO 268 HG3 0.09 0.10 -0.01 -0.04 2.03 2.17 2nlzA1 PRO 268 HD2 0.11 0.01 0.08 -0.04 3.68 3.84 2nlzA1 PRO 268 HD3 0.13 0.15 0.06 -0.04 3.65 3.94 2nlzA1 PRO 269 HA -0.02 0.33 0.34 -0.51 4.44 4.59 2nlzA1 PRO 269 HB2 0.04 -0.00 -0.00 -0.04 2.28 2.28 2nlzA1 PRO 269 HB3 0.05 0.02 0.08 -0.04 2.02 2.14 2nlzA1 PRO 269 HG2 0.04 -0.02 0.07 -0.04 2.03 2.07 2nlzA1 PRO 269 HG3 0.03 0.04 0.08 -0.04 2.03 2.14 2nlzA1 PRO 269 HD2 0.03 0.07 0.21 -0.04 3.68 3.96 2nlzA1 PRO 269 HD3 0.02 0.08 0.18 -0.04 3.65 3.89 2nlzA1 ASN 270 H 0.05 0.25 -0.13 -0.55 8.53 8.16 2nlzA1 ASN 270 HA 0.06 0.02 -0.04 -0.75 4.76 4.06 2nlzA1 ASN 270 HB2 0.07 0.03 0.40 -0.04 2.88 3.34 2nlzA1 ASN 270 HB3 0.10 0.03 -0.19 -0.04 2.79 2.69 2nlzA1 ASN 270 HD21 0.13 -0.10 -0.30 -0.04 7.03 6.73 2nlzA1 ASN 270 HD22 0.08 0.04 -0.25 -0.04 7.74 7.57 2nlzA1 GLY 271 H -0.04 0.43 -0.27 -0.55 8.43 8.01 2nlzA1 GLY 271 HA2 -0.32 0.11 0.50 -0.51 4.01 3.79 2nlzA1 GLY 271 HA3 -0.38 0.05 0.20 -0.51 4.01 3.37 2nlzA1 GLN 272 H -0.39 0.43 0.09 -0.55 8.47 8.05 2nlzA1 GLN 272 HA -0.28 0.14 -0.06 -0.75 4.36 3.41 2nlzA1 GLN 272 HB2 -0.30 -0.06 3.05 -0.04 2.15 4.80 2nlzA1 GLN 272 HB3 -1.00 0.09 -0.31 -0.04 2.02 0.77 2nlzA1 GLN 272 HG2 -0.37 0.18 0.24 -0.04 2.40 2.41 2nlzA1 GLN 272 HG3 -0.29 -0.10 0.09 -0.04 2.39 2.05 2nlzA1 GLN 272 HE21 0.00 -0.02 0.06 -0.04 6.97 6.97 2nlzA1 GLN 272 HE22 -0.20 0.18 0.19 -0.04 7.69 7.81 2nlzA1 GLY 273 H -0.21 0.23 -0.42 -0.55 8.43 7.48 2nlzA1 GLY 273 HA2 -0.20 0.02 0.23 -0.51 4.01 3.55 2nlzA1 GLY 273 HA3 -0.12 0.10 0.23 -0.51 4.01 3.72 2nlzA1 LEU 274 H -0.07 0.22 -0.36 -0.55 8.37 7.61 2nlzA1 LEU 274 HA -0.01 0.03 0.36 -0.75 4.35 3.98 2nlzA1 LEU 274 HB2 -0.01 0.07 0.03 -0.04 1.64 1.68 2nlzA1 LEU 274 HB3 -0.00 0.04 -0.01 -0.04 1.64 1.62 2nlzA1 LEU 274 HG 0.04 0.02 -0.05 -0.04 1.64 1.61 2nlzA1 LEU 274 HD13 0.06 -0.02 -0.20 -0.04 0.93 0.73 2nlzA1 LEU 274 HD23 0.02 -0.00 -0.01 -0.04 0.89 0.85 2nlzA1 VAL 275 H -0.11 0.52 -0.17 -0.55 8.24 7.93 2nlzA1 VAL 275 HA -0.06 0.05 0.25 -0.75 4.13 3.62 2nlzA1 VAL 275 HB -0.32 0.04 -0.09 -0.04 2.12 1.71 2nlzA1 VAL 275 HG13 -0.55 -0.00 -0.32 -0.04 0.97 0.05 2nlzA1 VAL 275 HG23 -0.20 0.03 0.10 -0.04 0.95 0.84 2nlzA1 ALA 276 H -0.11 0.23 -0.20 -0.55 8.40 7.77 2nlzA1 ALA 276 HA 0.00 0.05 0.37 -0.75 4.34 4.00 2nlzA1 ALA 276 HB3 0.03 0.03 0.02 -0.04 1.41 1.45 2nlzA1 LEU 277 H -0.01 0.36 -0.28 -0.55 8.37 7.90 2nlzA1 LEU 277 HA -0.01 -0.00 0.28 -0.75 4.35 3.87 2nlzA1 LEU 277 HB2 -0.01 0.07 0.08 -0.04 1.64 1.74 2nlzA1 LEU 277 HB3 -0.01 0.01 -0.15 -0.04 1.64 1.45 2nlzA1 LEU 277 HG -0.05 -0.04 -0.24 -0.04 1.64 1.27 2nlzA1 LEU 277 HD13 0.01 0.05 -0.20 -0.04 0.93 0.75 2nlzA1 LEU 277 HD23 -0.00 0.03 -0.28 -0.04 0.89 0.60 2nlzA1 GLU 278 H 0.00 0.71 -0.04 -0.55 8.60 8.72 2nlzA1 GLU 278 HA 0.02 0.07 0.46 -0.75 4.29 4.08 2nlzA1 GLU 278 HB2 0.05 -0.00 0.03 -0.04 2.09 2.12 2nlzA1 GLU 278 HB3 0.03 0.03 0.09 -0.04 1.99 2.10 2nlzA1 GLU 278 HG2 -0.00 -0.06 -0.16 -0.04 2.34 2.08 2nlzA1 GLU 278 HG3 0.07 0.18 0.07 -0.04 2.34 2.62 2nlzA1 ALA 279 H 0.01 0.61 -0.15 -0.55 8.40 8.32 2nlzA1 ALA 279 HA 0.02 0.06 0.37 -0.75 4.34 4.04 2nlzA1 ALA 279 HB3 0.06 0.01 -0.04 -0.04 1.41 1.40 2nlzA1 LEU 280 H -0.01 0.66 -0.14 -0.55 8.37 8.34 2nlzA1 LEU 280 HA -0.04 -0.00 0.41 -0.75 4.35 3.96 2nlzA1 LEU 280 HB2 -0.07 0.18 0.12 -0.04 1.64 1.83 2nlzA1 LEU 280 HB3 -0.07 -0.04 -0.13 -0.04 1.64 1.36 2nlzA1 LEU 280 HG -0.52 -0.06 -0.08 -0.04 1.64 0.94 2nlzA1 LEU 280 HD13 -0.64 -0.01 -0.04 -0.04 0.93 0.19 2nlzA1 LEU 280 HD23 -0.11 -0.00 -0.13 -0.04 0.89 0.60 2nlzA1 ASN 281 H 0.02 0.36 -0.48 -0.55 8.53 7.89 2nlzA1 ASN 281 HA 0.06 0.00 0.38 -0.75 4.76 4.45 2nlzA1 ASN 281 HB2 0.01 0.23 0.18 -0.04 2.88 3.26 2nlzA1 ASN 281 HB3 -0.00 0.05 0.05 -0.04 2.79 2.84 2nlzA1 ASN 281 HD21 0.00 -0.06 -0.21 -0.04 7.03 6.73 2nlzA1 ASN 281 HD22 0.02 0.02 -0.24 -0.04 7.74 7.50 2nlzA1 ILE 282 H 0.00 0.54 -0.02 -0.55 8.25 8.21 2nlzA1 ILE 282 HA -0.09 0.02 0.56 -0.75 4.18 3.92 2nlzA1 ILE 282 HB 0.01 0.09 0.19 -0.04 1.89 2.14 2nlzA1 ILE 282 HG12 -0.13 -0.00 0.11 -0.04 1.49 1.42 2nlzA1 ILE 282 HG13 -0.07 0.16 0.10 -0.04 1.21 1.37 2nlzA1 ILE 282 HG23 -0.02 -0.01 -0.11 -0.04 0.93 0.75 2nlzA1 ILE 282 HD13 -0.07 -0.01 -0.05 -0.04 0.88 0.71 2nlzA1 VAL 283 H 0.09 0.58 -0.11 -0.55 8.24 8.26 2nlzA1 VAL 283 HA 0.29 0.02 0.31 -0.75 4.13 4.00 2nlzA1 VAL 283 HB 0.19 0.16 0.08 -0.04 2.12 2.51 2nlzA1 VAL 283 HG13 0.29 0.02 -0.14 -0.04 0.97 1.10 2nlzA1 VAL 283 HG23 0.52 -0.01 -0.13 -0.04 0.95 1.29 2nlzA1 LYS 284 H 0.11 0.29 -0.52 -0.55 8.42 7.75 2nlzA1 LYS 284 HA 0.08 -0.04 0.33 -0.75 4.32 3.93 2nlzA1 LYS 284 HB2 0.10 0.17 0.20 -0.04 1.87 2.31 2nlzA1 LYS 284 HB3 -0.03 0.07 0.02 -0.04 1.79 1.80 2nlzA1 LYS 284 HG2 -0.09 -0.07 -0.02 -0.04 1.46 1.24 2nlzA1 LYS 284 HG3 -0.17 -0.11 0.10 -0.04 1.46 1.24 2nlzA1 LYS 284 HD2 0.00 0.14 0.20 -0.04 1.69 1.99 2nlzA1 LYS 284 HD3 0.08 0.02 0.03 -0.04 1.68 1.77 2nlzA1 LYS 284 HE2 -0.01 -0.03 0.07 -0.04 2.99 2.98 2nlzA1 LYS 284 HE3 -0.04 -0.02 0.03 -0.04 2.99 2.92 2nlzA1 GLY 285 H -0.21 0.33 -0.43 -0.55 8.43 7.57 2nlzA1 GLY 285 HA2 -0.17 -0.03 0.34 -0.51 4.01 3.64 2nlzA1 GLY 285 HA3 -0.34 0.00 0.25 -0.51 4.01 3.41 2nlzA1 PHE 286 H -0.25 0.44 -0.24 -0.55 8.34 7.73 2nlzA1 PHE 286 HA -0.20 0.03 0.80 -0.75 4.62 4.49 2nlzA1 PHE 286 HB2 -0.49 0.08 0.03 -0.04 3.15 2.72 2nlzA1 PHE 286 HB3 -0.49 0.02 0.06 -0.04 3.06 2.61 2nlzA1 PHE 286 HD2 -0.01 -0.01 0.01 -0.04 7.28 7.23 2nlzA1 PHE 286 HE2 -0.00 -0.01 -0.03 -0.04 7.38 7.29 2nlzA1 PHE 286 HZ -0.01 0.12 0.03 -0.04 7.32 7.42 2nlzA1 GLU 287 H -0.16 0.06 0.14 -0.55 8.60 8.10 2nlzA1 GLU 287 HA -0.32 0.18 0.75 -0.75 4.29 4.15 2nlzA1 GLU 287 HB2 -0.18 -0.02 0.03 -0.04 2.09 1.88 2nlzA1 GLU 287 HB3 -0.63 -0.09 0.06 -0.04 1.99 1.29 2nlzA1 GLU 287 HG2 -0.08 0.05 -0.04 -0.04 2.34 2.23 2nlzA1 GLU 287 HG3 -0.01 -0.04 -0.00 -0.04 2.34 2.25 2nlzA1 PHE 288 H -0.43 0.05 0.06 -0.55 8.34 7.47 2nlzA1 PHE 288 HA 0.01 0.19 0.88 -0.75 4.62 4.94 2nlzA1 PHE 288 HB2 0.06 -0.03 -0.01 -0.04 3.15 3.14 2nlzA1 PHE 288 HB3 0.30 0.01 -0.16 -0.04 3.06 3.17 2nlzA1 PHE 288 HD2 0.03 -0.07 -0.11 -0.04 7.28 7.08 2nlzA1 PHE 288 HE2 0.09 0.05 -0.09 -0.04 7.38 7.38 2nlzA1 PHE 288 HZ 0.22 -0.00 -0.09 -0.04 7.32 7.40 2nlzA1 TYR 289 H 0.07 0.17 0.06 -0.55 8.29 8.04 2nlzA1 TYR 289 HA 0.19 0.08 0.41 -0.75 4.56 4.48 2nlzA1 TYR 289 HB2 0.13 0.14 0.28 -0.04 3.06 3.56 2nlzA1 TYR 289 HB3 0.11 -0.01 0.05 -0.04 2.98 3.09 2nlzA1 TYR 289 HD2 0.07 0.09 -0.09 -0.04 7.15 7.18 2nlzA1 TYR 289 HE2 0.02 0.02 -0.05 -0.04 6.85 6.80 2nlzA1 HIS 290 H 0.32 0.42 -0.19 -0.55 8.41 8.42 2nlzA1 HIS 290 HA 0.05 0.27 0.85 -0.75 4.63 5.05 2nlzA1 HIS 290 HB2 0.07 0.05 -0.11 -0.04 3.26 3.23 2nlzA1 HIS 290 HB3 0.02 -0.03 -0.06 -0.04 3.20 3.08 2nlzA1 HIS 290 HD2 0.03 0.13 0.06 -0.04 6.97 7.14 2nlzA1 HIS 290 HE1 -0.06 0.04 0.01 -0.04 7.75 7.70 2nlzA1 LYS 291 H -1.16 0.21 0.05 -0.55 8.42 6.96 2nlzA1 LYS 291 HA -1.65 0.10 0.26 -0.75 4.32 2.28 2nlzA1 LYS 291 HB2 -1.83 0.07 0.01 -0.04 1.87 0.08 2nlzA1 LYS 291 HB3 -0.83 -0.03 0.10 -0.04 1.79 0.98 2nlzA1 LYS 291 HG2 -0.46 -0.02 -0.31 -0.04 1.46 0.63 2nlzA1 LYS 291 HG3 -0.74 0.00 -0.08 -0.04 1.46 0.61 2nlzA1 LYS 291 HD2 -0.08 0.01 -0.07 -0.04 1.69 1.52 2nlzA1 LYS 291 HD3 -0.23 -0.01 -0.05 -0.04 1.68 1.36 2nlzA1 LYS 291 HE2 -0.01 0.04 -0.06 -0.04 2.99 2.92 2nlzA1 LYS 291 HE3 -0.06 -0.03 -0.07 -0.04 2.99 2.79 2nlzA1 ASP 292 H -0.36 0.08 -0.14 -0.55 8.40 7.44 2nlzA1 ASP 292 HA -0.03 0.22 0.50 -0.75 4.63 4.56 2nlzA1 ASP 292 HB2 0.13 -0.02 0.13 -0.04 2.71 2.92 2nlzA1 ASP 292 HB3 0.05 -0.03 0.16 -0.04 2.70 2.84 2nlzA1 THR 293 H -0.06 0.42 -0.23 -0.55 8.28 7.86 2nlzA1 THR 293 HA 0.08 0.20 0.80 -0.75 4.39 4.70 2nlzA1 THR 293 HB 0.07 -0.07 0.14 -0.04 4.32 4.41 2nlzA1 THR 293 HG23 0.10 0.04 -0.17 -0.04 1.22 1.15 2nlzA1 VAL 294 H 0.08 0.17 0.11 -0.55 8.24 8.05 2nlzA1 VAL 294 HA 0.17 0.13 0.54 -0.75 4.13 4.21 2nlzA1 VAL 294 HB 0.07 -0.02 0.09 -0.04 2.12 2.22 2nlzA1 VAL 294 HG13 0.03 0.01 0.05 -0.04 0.97 1.02 2nlzA1 VAL 294 HG23 0.04 0.04 -0.15 -0.04 0.95 0.84 2nlzA1 ASP 295 H 0.07 0.05 -0.08 -0.55 8.40 7.90 2nlzA1 ASP 295 HA 0.06 0.13 0.34 -0.75 4.63 4.40 2nlzA1 ASP 295 HB2 0.03 0.01 0.10 -0.04 2.71 2.81 2nlzA1 ASP 295 HB3 0.08 -0.07 0.09 -0.04 2.70 2.75 2nlzA1 THR 296 H 0.10 0.03 -0.23 -0.55 8.28 7.64 2nlzA1 THR 296 HA 0.35 0.09 0.39 -0.75 4.39 4.47 2nlzA1 THR 296 HB -0.19 0.09 0.15 -0.04 4.32 4.33 2nlzA1 THR 296 HG23 -0.32 -0.02 -0.10 -0.04 1.22 0.75 2nlzA1 TYR 297 H 0.04 0.35 -0.09 -0.55 8.29 8.04 2nlzA1 TYR 297 HA -0.08 0.03 0.41 -0.75 4.56 4.16 2nlzA1 TYR 297 HB2 0.04 0.05 0.08 -0.04 3.06 3.19 2nlzA1 TYR 297 HB3 -0.07 -0.03 -0.04 -0.04 2.98 2.80 2nlzA1 TYR 297 HD2 0.06 0.05 -0.02 -0.04 7.15 7.21 2nlzA1 TYR 297 HE2 0.11 -0.03 -0.06 -0.04 6.85 6.83 2nlzA1 HIS 298 H 0.17 0.48 -0.34 -0.55 8.41 8.17 2nlzA1 HIS 298 HA -0.10 -0.00 0.41 -0.75 4.63 4.18 2nlzA1 HIS 298 HB2 0.03 -0.03 0.05 -0.04 3.26 3.28 2nlzA1 HIS 298 HB3 -0.00 0.10 0.17 -0.04 3.20 3.42 2nlzA1 HIS 298 HD2 -0.07 -0.00 -0.09 -0.04 6.97 6.76 2nlzA1 HIS 298 HE1 0.02 -0.04 -0.36 -0.04 7.75 7.33 2nlzA1 LYS 299 H 0.07 0.59 0.02 -0.55 8.42 8.54 2nlzA1 LYS 299 HA -0.14 0.02 0.35 -0.75 4.32 3.80 2nlzA1 LYS 299 HB2 0.30 0.05 0.13 -0.04 1.87 2.31 2nlzA1 LYS 299 HB3 0.18 -0.01 0.01 -0.04 1.79 1.93 2nlzA1 LYS 299 HG2 -0.87 0.01 0.02 -0.04 1.46 0.57 2nlzA1 LYS 299 HG3 -0.16 0.01 0.07 -0.04 1.46 1.34 2nlzA1 LYS 299 HD2 -0.13 -0.04 -0.10 -0.04 1.69 1.39 2nlzA1 LYS 299 HD3 -0.67 0.03 -0.02 -0.04 1.68 0.98 2nlzA1 LYS 299 HE2 -1.21 0.03 -0.01 -0.04 2.99 1.76 2nlzA1 LYS 299 HE3 -0.36 -0.03 -0.01 -0.04 2.99 2.55 2nlzA1 GLN 300 H 0.02 0.58 -0.16 -0.55 8.47 8.36 2nlzA1 GLN 300 HA 0.10 0.00 0.33 -0.75 4.36 4.04 2nlzA1 GLN 300 HB2 -0.15 0.07 0.14 -0.04 2.15 2.17 2nlzA1 GLN 300 HB3 0.26 -0.05 -0.08 -0.04 2.02 2.12 2nlzA1 GLN 300 HG2 0.07 -0.04 -0.04 -0.04 2.40 2.34 2nlzA1 GLN 300 HG3 -0.05 0.22 -0.02 -0.04 2.39 2.50 2nlzA1 GLN 300 HE21 0.23 0.00 -0.07 -0.04 6.97 7.09 2nlzA1 GLN 300 HE22 0.11 -0.01 -0.10 -0.04 7.69 7.65 2nlzA1 ILE 301 H -0.45 0.60 -0.13 -0.55 8.25 7.72 2nlzA1 ILE 301 HA -0.67 -0.06 0.26 -0.75 4.18 2.96 2nlzA1 ILE 301 HB -0.43 0.18 0.15 -0.04 1.89 1.75 2nlzA1 ILE 301 HG12 -1.24 -0.10 -0.06 -0.04 1.49 0.05 2nlzA1 ILE 301 HG13 -1.61 -0.01 0.05 -0.04 1.21 -0.40 2nlzA1 ILE 301 HG23 -0.15 -0.02 -0.20 -0.04 0.93 0.51 2nlzA1 ILE 301 HD13 -0.59 -0.01 -0.12 -0.04 0.88 0.12 2nlzA1 GLU 302 H -0.23 0.63 -0.18 -0.55 8.60 8.27 2nlzA1 GLU 302 HA -0.14 0.01 0.35 -0.75 4.29 3.76 2nlzA1 GLU 302 HB2 -0.19 0.08 0.10 -0.04 2.09 2.04 2nlzA1 GLU 302 HB3 -0.12 -0.04 -0.02 -0.04 1.99 1.77 2nlzA1 GLU 302 HG2 -0.49 0.17 0.05 -0.04 2.34 2.02 2nlzA1 GLU 302 HG3 -0.72 0.02 -0.08 -0.04 2.34 1.53 2nlzA1 ALA 303 H -0.01 0.67 -0.02 -0.55 8.40 8.50 2nlzA1 ALA 303 HA 0.01 -0.01 0.45 -0.75 4.34 4.03 2nlzA1 ALA 303 HB3 0.11 0.03 0.11 -0.04 1.41 1.62 2nlzA1 MET 304 H 0.05 0.66 -0.20 -0.55 8.47 8.43 2nlzA1 MET 304 HA 0.12 -0.05 0.39 -0.75 4.52 4.23 2nlzA1 MET 304 HB2 0.39 -0.00 0.01 -0.04 2.15 2.51 2nlzA1 MET 304 HB3 0.28 0.14 0.07 -0.04 2.03 2.47 2nlzA1 MET 304 HG2 0.62 -0.05 -0.06 -0.04 2.63 3.10 2nlzA1 MET 304 HG3 0.47 0.03 -0.22 -0.04 2.56 2.81 2nlzA1 MET 304 HE3 0.16 0.03 -0.29 -0.04 2.10 1.95 2nlzA1 LYS 305 H -0.17 0.58 -0.15 -0.55 8.42 8.12 2nlzA1 LYS 305 HA -1.01 -0.01 0.38 -0.75 4.32 2.93 2nlzA1 LYS 305 HB2 -0.31 0.14 0.18 -0.04 1.87 1.84 2nlzA1 LYS 305 HB3 -0.55 -0.04 -0.04 -0.04 1.79 1.12 2nlzA1 LYS 305 HG2 -1.87 -0.00 -0.05 -0.04 1.46 -0.50 2nlzA1 LYS 305 HG3 -0.70 -0.04 -0.00 -0.04 1.46 0.68 2nlzA1 LYS 305 HD2 -0.03 -0.12 -0.16 -0.04 1.69 1.34 2nlzA1 LYS 305 HD3 -0.16 -0.03 -0.19 -0.04 1.68 1.26 2nlzA1 LYS 305 HE2 -0.16 -0.05 -0.03 -0.04 2.99 2.71 2nlzA1 LYS 305 HE3 0.04 0.26 0.07 -0.04 2.99 3.32 2nlzA1 LEU 306 H -0.13 0.58 -0.11 -0.55 8.37 8.15 2nlzA1 LEU 306 HA -0.08 0.02 0.30 -0.75 4.35 3.84 2nlzA1 LEU 306 HB2 -0.05 0.08 0.12 -0.04 1.64 1.75 2nlzA1 LEU 306 HB3 -0.06 -0.06 0.01 -0.04 1.64 1.49 2nlzA1 LEU 306 HG -0.08 0.16 0.04 -0.04 1.64 1.72 2nlzA1 LEU 306 HD13 -0.04 -0.03 -0.13 -0.04 0.93 0.70 2nlzA1 LEU 306 HD23 -0.04 -0.02 -0.02 -0.04 0.89 0.76 2nlzA1 ALA 307 H -0.02 0.56 -0.14 -0.55 8.40 8.26 2nlzA1 ALA 307 HA 0.05 -0.02 0.39 -0.75 4.34 4.02 2nlzA1 ALA 307 HB3 0.02 0.02 0.05 -0.04 1.41 1.46 2nlzA1 PHE 308 H 0.09 0.60 -0.25 -0.55 8.34 8.23 2nlzA1 PHE 308 HA 0.13 -0.07 0.47 -0.75 4.62 4.40 2nlzA1 PHE 308 HB2 -0.06 0.31 0.13 -0.04 3.15 3.49 2nlzA1 PHE 308 HB3 -0.07 0.07 -0.01 -0.04 3.06 3.00 2nlzA1 PHE 308 HD2 0.31 -0.02 -0.00 -0.04 7.28 7.52 2nlzA1 PHE 308 HE2 0.46 -0.01 0.02 -0.04 7.38 7.81 2nlzA1 PHE 308 HZ 0.47 -0.05 0.09 -0.04 7.32 7.79 2nlzA1 VAL 309 H 0.05 0.52 -0.16 -0.55 8.24 8.10 2nlzA1 VAL 309 HA 0.18 0.07 0.47 -0.75 4.13 4.10 2nlzA1 VAL 309 HB 0.04 0.02 -0.28 -0.04 2.12 1.86 2nlzA1 VAL 309 HG13 0.08 0.01 -0.03 -0.04 0.97 0.99 2nlzA1 VAL 309 HG23 -0.03 0.13 -0.10 -0.04 0.95 0.91 2nlzA1 ASP 310 H 0.11 0.43 -0.22 -0.55 8.40 8.18 2nlzA1 ASP 310 HA 0.15 -0.00 0.61 -0.75 4.63 4.64 2nlzA1 ASP 310 HB2 0.17 0.17 0.20 -0.04 2.71 3.20 2nlzA1 ASP 310 HB3 0.30 -0.06 -0.01 -0.04 2.70 2.88 2nlzA1 GLY 311 H 0.15 0.67 -0.02 -0.55 8.43 8.69 2nlzA1 GLY 311 HA2 0.20 -0.07 0.40 -0.51 4.01 4.02 2nlzA1 GLY 311 HA3 0.16 0.06 0.35 -0.51 4.01 4.06 2nlzA1 MET 312 H 0.22 0.51 -0.24 -0.55 8.47 8.41 2nlzA1 MET 312 HA -0.11 0.06 0.52 -0.75 4.52 4.24 2nlzA1 MET 312 HB2 0.19 0.14 0.18 -0.04 2.15 2.62 2nlzA1 MET 312 HB3 0.05 -0.02 -0.01 -0.04 2.03 2.00 2nlzA1 MET 312 HG2 -0.09 -0.02 0.05 -0.04 2.63 2.53 2nlzA1 MET 312 HG3 0.26 -0.07 0.02 -0.04 2.56 2.74 2nlzA1 MET 312 HE3 -0.42 -0.01 0.01 -0.04 2.10 1.64 2nlzA1 LYS 313 H -0.03 0.27 -0.40 -0.55 8.42 7.71 2nlzA1 LYS 313 HA -0.24 0.04 0.60 -0.75 4.32 3.96 2nlzA1 LYS 313 HB2 -0.27 0.06 0.16 -0.04 1.87 1.79 2nlzA1 LYS 313 HB3 -0.65 0.07 0.25 -0.04 1.79 1.43 2nlzA1 LYS 313 HG2 -1.12 -0.04 -0.02 -0.04 1.46 0.24 2nlzA1 LYS 313 HG3 -1.04 -0.04 -0.17 -0.04 1.46 0.16 2nlzA1 LYS 313 HD2 -0.33 -0.01 0.08 -0.04 1.69 1.39 2nlzA1 LYS 313 HD3 -0.22 0.01 0.04 -0.04 1.68 1.47 2nlzA1 LYS 313 HE2 -0.24 -0.02 0.02 -0.04 2.99 2.71 2nlzA1 LYS 313 HE3 -0.13 -0.02 0.02 -0.04 2.99 2.81 2nlzA1 TYR 314 H 0.02 0.45 0.00 -0.55 8.29 8.21 2nlzA1 TYR 314 HA -0.01 0.12 0.64 -0.75 4.56 4.55 2nlzA1 TYR 314 HB2 0.04 0.05 -0.03 -0.04 3.06 3.08 2nlzA1 TYR 314 HB3 0.01 -0.13 -0.02 -0.04 2.98 2.80 2nlzA1 TYR 314 HD2 0.01 0.00 -0.03 -0.04 7.15 7.08 2nlzA1 TYR 314 HE2 0.01 -0.06 -0.08 -0.04 6.85 6.68 2nlzA1 VAL 315 H 0.23 0.47 0.02 -0.55 8.24 8.40 2nlzA1 VAL 315 HA 0.16 -0.02 0.46 -0.75 4.13 3.97 2nlzA1 VAL 315 HB 0.36 0.30 0.18 -0.04 2.12 2.92 2nlzA1 VAL 315 HG13 0.04 -0.05 -0.27 -0.04 0.97 0.65 2nlzA1 VAL 315 HG23 0.12 -0.06 -0.00 -0.04 0.95 0.97 2nlzA1 THR 316 H 0.13 0.25 0.14 -0.55 8.28 8.25 2nlzA1 THR 316 HA 0.16 0.05 0.29 -0.75 4.39 4.13 2nlzA1 THR 316 HB 0.18 0.10 -0.24 -0.04 4.32 4.32 2nlzA1 THR 316 HG23 0.12 0.14 -0.44 -0.04 1.22 1.00 2nlzA1 GLU 317 H 0.13 0.27 0.10 -0.55 8.60 8.55 2nlzA1 GLU 317 HA 0.08 0.10 0.57 -0.75 4.29 4.29 2nlzA1 GLU 317 HB2 0.12 0.19 0.26 -0.04 2.09 2.62 2nlzA1 GLU 317 HB3 0.12 0.03 0.17 -0.04 1.99 2.27 2nlzA1 GLU 317 HG2 0.07 0.05 0.04 -0.04 2.34 2.47 2nlzA1 GLU 317 HG3 0.06 -0.30 -0.21 -0.04 2.34 1.85 2nlzA1 PRO 318 HA 0.05 0.09 0.29 -0.51 4.44 4.35 2nlzA1 PRO 318 HB2 0.04 -0.02 0.04 -0.04 2.28 2.30 2nlzA1 PRO 318 HB3 0.04 0.00 0.08 -0.04 2.02 2.10 2nlzA1 PRO 318 HG2 0.05 0.03 0.09 -0.04 2.03 2.15 2nlzA1 PRO 318 HG3 0.05 0.12 0.00 -0.04 2.03 2.16 2nlzA1 PRO 318 HD2 0.06 0.06 0.23 -0.04 3.68 3.98 2nlzA1 PRO 318 HD3 0.06 0.24 0.18 -0.04 3.65 4.08 2nlzA1 SER 319 H 0.05 0.07 -0.25 -0.55 8.46 7.78 2nlzA1 SER 319 HA 0.03 0.00 0.45 -0.75 4.49 4.22 2nlzA1 SER 319 HB2 0.04 0.00 -0.03 -0.04 3.95 3.91 2nlzA1 SER 319 HB3 0.03 0.00 0.06 -0.04 3.93 3.97 2nlzA1 ASP 320 H 0.06 0.34 -0.17 -0.55 8.40 8.08 2nlzA1 ASP 320 HA 0.05 0.11 0.58 -0.75 4.63 4.62 2nlzA1 ASP 320 HB2 0.09 0.03 0.08 -0.04 2.71 2.86 2nlzA1 ASP 320 HB3 0.08 0.15 0.20 -0.04 2.70 3.08 2nlzA1 MET 321 H 0.05 0.18 -0.61 -0.55 8.47 7.55 2nlzA1 MET 321 HA 0.08 0.09 0.52 -0.75 4.52 4.45 2nlzA1 MET 321 HB2 0.05 0.15 0.11 -0.04 2.15 2.41 2nlzA1 MET 321 HB3 0.05 0.09 -0.01 -0.04 2.03 2.12 2nlzA1 MET 321 HG2 0.11 0.27 0.03 -0.04 2.63 3.00 2nlzA1 MET 321 HG3 0.08 0.05 -0.40 -0.04 2.56 2.25 2nlzA1 MET 321 HE3 0.06 0.03 -0.16 -0.04 2.10 1.99 2nlzA1 SER 322 H 0.11 0.12 0.22 -0.55 8.46 8.36 2nlzA1 SER 322 HA 0.03 0.11 0.39 -0.75 4.49 4.26 2nlzA1 SER 322 HB2 0.09 0.08 0.14 -0.04 3.95 4.21 2nlzA1 SER 322 HB3 0.19 -0.07 0.09 -0.04 3.93 4.11 2nlzA1 VAL 323 H -0.03 0.07 0.02 -0.55 8.24 7.75 2nlzA1 VAL 323 HA -0.11 0.21 0.86 -0.75 4.13 4.33 2nlzA1 VAL 323 HB -0.29 -0.13 0.11 -0.04 2.12 1.77 2nlzA1 VAL 323 HG13 -0.37 0.01 -0.15 -0.04 0.97 0.41 2nlzA1 VAL 323 HG23 -0.54 0.01 -0.17 -0.04 0.95 0.21 2nlzA1 SER 324 H -0.12 0.06 0.13 -0.55 8.46 7.99 2nlzA1 SER 324 HA -0.03 0.33 0.82 -0.75 4.49 4.86 2nlzA1 SER 324 HB2 -0.02 0.04 0.14 -0.04 3.95 4.07 2nlzA1 SER 324 HB3 -0.04 0.14 0.06 -0.04 3.93 4.04 2nlzA1 VAL 325 H -0.01 0.25 0.17 -0.55 8.24 8.10 2nlzA1 VAL 325 HA -0.00 0.13 0.45 -0.75 4.13 3.95 2nlzA1 VAL 325 HB 0.01 -0.01 0.10 -0.04 2.12 2.17 2nlzA1 VAL 325 HG13 0.02 0.02 -0.02 -0.04 0.97 0.94 2nlzA1 VAL 325 HG23 0.02 0.03 0.11 -0.04 0.95 1.07 2nlzA1 GLU 326 H -0.02 0.07 -0.15 -0.55 8.60 7.96 2nlzA1 GLU 326 HA -0.01 0.15 0.29 -0.75 4.29 3.96 2nlzA1 GLU 326 HB2 -0.02 -0.04 0.06 -0.04 2.09 2.05 2nlzA1 GLU 326 HB3 -0.01 0.04 -0.03 -0.04 1.99 1.95 2nlzA1 GLU 326 HG2 -0.00 0.04 0.02 -0.04 2.34 2.36 2nlzA1 GLU 326 HG3 0.00 0.05 0.01 -0.04 2.34 2.36 2nlzA1 GLN 327 H -0.07 0.06 -0.31 -0.55 8.47 7.60 2nlzA1 GLN 327 HA -0.07 0.08 0.52 -0.75 4.36 4.13 2nlzA1 GLN 327 HB2 -0.16 0.05 0.16 -0.04 2.15 2.15 2nlzA1 GLN 327 HB3 -0.24 0.05 0.03 -0.04 2.02 1.82 2nlzA1 GLN 327 HG2 -0.10 0.06 0.06 -0.04 2.40 2.38 2nlzA1 GLN 327 HG3 -0.08 -0.08 0.04 -0.04 2.39 2.23 2nlzA1 GLN 327 HE21 -0.09 0.05 0.05 -0.04 6.97 6.94 2nlzA1 GLN 327 HE22 -0.08 0.03 0.04 -0.04 7.69 7.63 2nlzA1 LEU 328 H -0.09 0.36 -0.12 -0.55 8.37 7.96 2nlzA1 LEU 328 HA -0.04 0.07 0.39 -0.75 4.35 4.02 2nlzA1 LEU 328 HB2 0.01 0.08 0.03 -0.04 1.64 1.72 2nlzA1 LEU 328 HB3 0.10 -0.01 0.00 -0.04 1.64 1.69 2nlzA1 LEU 328 HG -0.19 0.01 -0.03 -0.04 1.64 1.38 2nlzA1 LEU 328 HD13 0.03 -0.01 -0.16 -0.04 0.93 0.75 2nlzA1 LEU 328 HD23 -0.12 0.00 -0.07 -0.04 0.89 0.67 2nlzA1 LEU 329 H 0.02 0.17 -0.60 -0.55 8.37 7.41 2nlzA1 LEU 329 HA 0.05 0.18 0.71 -0.75 4.35 4.54 2nlzA1 LEU 329 HB2 0.01 0.21 0.07 -0.04 1.64 1.89 2nlzA1 LEU 329 HB3 -0.00 -0.04 0.08 -0.04 1.64 1.64 2nlzA1 LEU 329 HG -0.01 0.01 -0.06 -0.04 1.64 1.54 2nlzA1 LEU 329 HD13 0.02 0.00 -0.20 -0.04 0.93 0.71 2nlzA1 LEU 329 HD23 -0.01 -0.01 -0.07 -0.04 0.89 0.76 2nlzA1 SER 330 H 0.07 0.31 -0.35 -0.55 8.46 7.94 2nlzA1 SER 330 HA 0.02 0.10 0.53 -0.75 4.49 4.38 2nlzA1 SER 330 HB2 0.02 -0.11 0.17 -0.04 3.95 3.98 2nlzA1 SER 330 HB3 0.01 0.25 0.24 -0.04 3.93 4.39 2nlzA1 ASP 331 H 0.01 0.16 0.23 -0.55 8.40 8.25 2nlzA1 ASP 331 HA -0.01 0.19 0.41 -0.75 4.63 4.47 2nlzA1 ASP 331 HB2 -0.01 -0.05 0.16 -0.04 2.71 2.77 2nlzA1 ASP 331 HB3 -0.02 0.04 0.06 -0.04 2.70 2.74 2nlzA1 GLU 332 H 0.02 0.07 -0.11 -0.55 8.60 8.04 2nlzA1 GLU 332 HA 0.00 0.15 0.58 -0.75 4.29 4.27 2nlzA1 GLU 332 HB2 0.02 0.05 0.04 -0.04 2.09 2.17 2nlzA1 GLU 332 HB3 0.01 0.01 0.07 -0.04 1.99 2.04 2nlzA1 GLU 332 HG2 0.04 -0.03 -0.01 -0.04 2.34 2.31 2nlzA1 GLU 332 HG3 0.02 0.07 -0.03 -0.04 2.34 2.36 2nlzA1 TYR 333 H 0.13 0.11 -0.25 -0.55 8.29 7.74 2nlzA1 TYR 333 HA -0.02 0.07 0.61 -0.75 4.56 4.47 2nlzA1 TYR 333 HB2 -0.03 -0.01 0.10 -0.04 3.06 3.08 2nlzA1 TYR 333 HB3 -0.02 0.16 0.08 -0.04 2.98 3.16 2nlzA1 TYR 333 HD2 -0.02 0.08 0.04 -0.04 7.15 7.21 2nlzA1 TYR 333 HE2 0.01 -0.07 0.04 -0.04 6.85 6.79 2nlzA1 ALA 334 H 0.01 0.48 -0.14 -0.55 8.40 8.20 2nlzA1 ALA 334 HA -0.19 0.05 0.42 -0.75 4.34 3.86 2nlzA1 ALA 334 HB3 -0.05 0.09 -0.04 -0.04 1.41 1.36 2nlzA1 THR 335 H -0.06 0.41 -0.23 -0.55 8.28 7.85 2nlzA1 THR 335 HA -0.10 0.05 0.33 -0.75 4.39 3.92 2nlzA1 THR 335 HB -0.03 0.09 0.11 -0.04 4.32 4.45 2nlzA1 THR 335 HG23 -0.05 -0.01 -0.02 -0.04 1.22 1.10 2nlzA1 GLU 336 H -0.06 0.31 -0.38 -0.55 8.60 7.93 2nlzA1 GLU 336 HA -0.02 0.01 0.45 -0.75 4.29 3.98 2nlzA1 GLU 336 HB2 0.01 0.10 0.23 -0.04 2.09 2.39 2nlzA1 GLU 336 HB3 0.03 -0.04 -0.02 -0.04 1.99 1.92 2nlzA1 GLU 336 HG2 0.03 0.02 0.05 -0.04 2.34 2.41 2nlzA1 GLU 336 HG3 0.10 -0.06 0.01 -0.04 2.34 2.36 2nlzA1 ARG 337 H -0.25 0.52 -0.12 -0.55 8.46 8.05 2nlzA1 ARG 337 HA -0.10 0.05 0.53 -0.75 4.34 4.06 2nlzA1 ARG 337 HB2 -0.25 0.13 0.16 -0.04 1.90 1.90 2nlzA1 ARG 337 HB3 -0.16 -0.05 0.02 -0.04 1.80 1.57 2nlzA1 ARG 337 HG2 -0.57 -0.08 0.02 -0.04 1.67 1.00 2nlzA1 ARG 337 HG3 -0.88 0.05 0.00 -0.04 1.67 0.79 2nlzA1 ARG 337 HD2 -0.20 -0.07 -0.02 -0.04 3.22 2.89 2nlzA1 ARG 337 HD3 -0.15 -0.02 -0.07 -0.04 3.22 2.94 2nlzA1 ARG 338 H -0.12 0.59 -0.03 -0.55 8.46 8.35 2nlzA1 ARG 338 HA 0.00 0.00 0.42 -0.75 4.34 4.01 2nlzA1 ARG 338 HB2 -0.19 0.04 0.11 -0.04 1.90 1.83 2nlzA1 ARG 338 HB3 -0.15 0.06 0.13 -0.04 1.80 1.80 2nlzA1 ARG 338 HG2 -0.15 -0.00 -0.17 -0.04 1.67 1.30 2nlzA1 ARG 338 HG3 -0.16 -0.03 -0.00 -0.04 1.67 1.44 2nlzA1 ARG 338 HD2 -0.47 -0.05 -0.06 -0.04 3.22 2.59 2nlzA1 ARG 338 HD3 -1.38 -0.02 -0.04 -0.04 3.22 1.74 2nlzA1 LYS 339 H -0.04 0.32 -0.44 -0.55 8.42 7.72 2nlzA1 LYS 339 HA 0.02 0.05 0.50 -0.75 4.32 4.14 2nlzA1 LYS 339 HB2 -0.01 0.21 0.11 -0.04 1.87 2.14 2nlzA1 LYS 339 HB3 0.00 -0.08 0.01 -0.04 1.79 1.69 2nlzA1 LYS 339 HG2 -0.00 -0.05 0.04 -0.04 1.46 1.41 2nlzA1 LYS 339 HG3 -0.02 0.21 0.06 -0.04 1.46 1.67 2nlzA1 LYS 339 HD2 0.00 -0.04 0.01 -0.04 1.69 1.62 2nlzA1 LYS 339 HD3 -0.00 -0.07 -0.01 -0.04 1.68 1.56 2nlzA1 LYS 339 HE2 -0.00 -0.03 -0.04 -0.04 2.99 2.87 2nlzA1 LYS 339 HE3 -0.00 0.11 0.04 -0.04 2.99 3.10 2nlzA1 GLU 340 H -0.01 0.38 -0.41 -0.55 8.60 8.02 2nlzA1 GLU 340 HA 0.01 0.04 0.56 -0.75 4.29 4.15 2nlzA1 GLU 340 HB2 -0.01 0.21 0.13 -0.04 2.09 2.38 2nlzA1 GLU 340 HB3 -0.00 -0.09 0.10 -0.04 1.99 1.96 2nlzA1 GLU 340 HG2 0.01 -0.04 -0.04 -0.04 2.34 2.22 2nlzA1 GLU 340 HG3 -0.01 0.10 0.07 -0.04 2.34 2.46 2nlzA1 ILE 341 H 0.06 0.29 -0.43 -0.55 8.25 7.62 2nlzA1 ILE 341 HA 0.03 -0.01 0.66 -0.75 4.18 4.10 2nlzA1 ILE 341 HB 0.23 0.17 0.17 -0.04 1.89 2.42 2nlzA1 ILE 341 HG12 0.01 -0.05 -0.12 -0.04 1.49 1.29 2nlzA1 ILE 341 HG13 0.06 0.06 -0.04 -0.04 1.21 1.25 2nlzA1 ILE 341 HG23 0.00 -0.01 -0.11 -0.04 0.93 0.77 2nlzA1 ILE 341 HD13 0.19 -0.02 -0.07 -0.04 0.88 0.95 2nlzA1 GLY 342 H 0.06 0.15 0.09 -0.55 8.43 8.18 2nlzA1 GLY 342 HA2 0.05 0.20 0.77 -0.51 4.01 4.53 2nlzA1 GLY 342 HA3 0.04 -0.09 0.36 -0.51 4.01 3.82 2nlzA1 GLU 343 H 0.02 0.03 0.17 -0.55 8.60 8.27 2nlzA1 GLU 343 HA -0.05 0.19 0.84 -0.75 4.29 4.51 2nlzA1 GLU 343 HB2 -0.02 -0.02 0.07 -0.04 2.09 2.09 2nlzA1 GLU 343 HB3 -0.03 -0.01 0.05 -0.04 1.99 1.95 2nlzA1 GLU 343 HG2 -0.11 0.02 0.04 -0.04 2.34 2.26 2nlzA1 GLU 343 HG3 -0.08 0.01 0.06 -0.04 2.34 2.29 2nlzA1 GLN 344 H 0.00 -0.07 0.10 -0.55 8.47 7.96 2nlzA1 GLN 344 HA -0.05 0.30 0.84 -0.75 4.36 4.70 2nlzA1 GLN 344 HB2 -0.01 -0.09 0.06 -0.04 2.15 2.07 2nlzA1 GLN 344 HB3 -0.03 0.10 -0.04 -0.04 2.02 2.01 2nlzA1 GLN 344 HG2 -0.03 -0.10 -0.05 -0.04 2.40 2.18 2nlzA1 GLN 344 HG3 -0.02 -0.03 -0.01 -0.04 2.39 2.29 2nlzA1 GLN 344 HE21 -0.03 0.18 0.08 -0.04 6.97 7.16 2nlzA1 GLN 344 HE22 -0.04 -0.10 -0.04 -0.04 7.69 7.47 2nlzA1 ALA 345 H -0.11 0.52 0.32 -0.55 8.40 8.58 2nlzA1 ALA 345 HA -0.08 -0.00 0.39 -0.75 4.34 3.89 2nlzA1 ALA 345 HB3 -0.61 -0.01 -0.05 -0.04 1.41 0.71 2nlzA1 LEU 346 H -0.05 0.09 0.17 -0.55 8.37 8.04 2nlzA1 LEU 346 HA -0.02 0.02 0.35 -0.75 4.35 3.95 2nlzA1 LEU 346 HB2 -0.02 0.06 -0.02 -0.04 1.64 1.62 2nlzA1 LEU 346 HB3 -0.01 0.07 0.10 -0.04 1.64 1.76 2nlzA1 LEU 346 HG -0.06 -0.10 0.06 -0.04 1.64 1.51 2nlzA1 LEU 346 HD13 -0.07 0.00 -0.32 -0.04 0.93 0.50 2nlzA1 LEU 346 HD23 -0.03 0.01 -0.06 -0.04 0.89 0.77 2nlzA1 THR 347 H -0.00 0.11 0.12 -0.55 8.28 7.96 2nlzA1 THR 347 HA 0.04 0.18 0.71 -0.75 4.39 4.57 2nlzA1 THR 347 HB 0.02 -0.03 0.11 -0.04 4.32 4.37 2nlzA1 THR 347 HG23 0.04 -0.00 -0.06 -0.04 1.22 1.16 2nlzA1 PRO 348 HA -0.04 0.03 0.26 -0.51 4.44 4.18 2nlzA1 PRO 348 HB2 -0.14 0.06 -0.15 -0.04 2.28 2.01 2nlzA1 PRO 348 HB3 -0.20 -0.03 -0.14 -0.04 2.02 1.61 2nlzA1 PRO 348 HG2 0.15 0.04 0.12 -0.04 2.03 2.30 2nlzA1 PRO 348 HG3 -0.10 0.10 0.06 -0.04 2.03 2.04 2nlzA1 PRO 348 HD2 0.12 -0.01 0.17 -0.04 3.68 3.92 2nlzA1 PRO 348 HD3 0.09 0.32 0.20 -0.04 3.65 4.21 2nlzA1 GLU 349 H -0.00 0.19 0.20 -0.55 8.60 8.44 2nlzA1 GLU 349 HA 0.03 0.18 0.85 -0.75 4.29 4.60 2nlzA1 GLU 349 HB2 0.02 -0.03 0.07 -0.04 2.09 2.11 2nlzA1 GLU 349 HB3 0.03 0.06 0.08 -0.04 1.99 2.11 2nlzA1 GLU 349 HG2 0.02 0.06 -0.38 -0.04 2.34 1.99 2nlzA1 GLU 349 HG3 0.02 -0.06 -0.05 -0.04 2.34 2.21 2nlzA1 PRO 350 HA 0.09 0.02 0.40 -0.51 4.44 4.44 2nlzA1 PRO 350 HB2 0.02 0.06 -0.03 -0.04 2.28 2.28 2nlzA1 PRO 350 HB3 -0.06 0.01 0.05 -0.04 2.02 1.98 2nlzA1 PRO 350 HG2 -0.04 0.02 0.06 -0.04 2.03 2.03 2nlzA1 PRO 350 HG3 -0.01 0.12 0.01 -0.04 2.03 2.11 2nlzA1 PRO 350 HD2 0.02 0.07 0.19 -0.04 3.68 3.92 2nlzA1 PRO 350 HD3 0.03 0.16 0.20 -0.04 3.65 4.00 2nlzA1 GLY 351 H 0.28 0.03 0.06 -0.55 8.43 8.26 2nlzA1 GLY 351 HA2 0.16 0.21 0.73 -0.51 4.01 4.60 2nlzA1 GLY 351 HA3 0.32 -0.04 0.38 -0.51 4.01 4.15 2nlzA1 THR 352 H 0.19 0.20 0.16 -0.55 8.28 8.28 2nlzA1 THR 352 HA -0.03 0.17 0.62 -0.75 4.39 4.40 2nlzA1 THR 352 HB -0.03 -0.00 0.08 -0.04 4.32 4.34 2nlzA1 THR 352 HG23 0.04 0.06 -0.10 -0.04 1.22 1.19 2nlzA1 PRO 353 HA -0.37 0.11 0.49 -0.51 4.44 4.16 2nlzA1 PRO 353 HB2 -0.10 0.03 0.06 -0.04 2.28 2.23 2nlzA1 PRO 353 HB3 -0.14 -0.00 0.08 -0.04 2.02 1.92 2nlzA1 PRO 353 HG2 -0.08 0.06 0.06 -0.04 2.03 2.02 2nlzA1 PRO 353 HG3 -0.15 0.04 0.04 -0.04 2.03 1.92 2nlzA1 PRO 353 HD2 -0.07 0.12 0.14 -0.04 3.68 3.83 2nlzA1 PRO 353 HD3 -0.12 0.16 0.07 -0.04 3.65 3.72 2nlzA1 THR 358 HA 0.02 0.04 0.42 -0.75 4.39 4.12 2nlzA1 THR 358 HB -0.00 -0.13 0.04 -0.04 4.32 4.19 2nlzA1 THR 358 HG23 0.05 -0.02 -0.12 -0.04 1.22 1.09 2nlzA1 VAL 359 H 0.06 0.59 0.34 -0.55 8.24 8.68 2nlzA1 VAL 359 HA 0.03 0.15 0.95 -0.75 4.13 4.51 2nlzA1 VAL 359 HB 0.03 -0.05 0.01 -0.04 2.12 2.06 2nlzA1 VAL 359 HG13 -0.03 0.02 -0.12 -0.04 0.97 0.80 2nlzA1 VAL 359 HG23 0.09 0.01 0.05 -0.04 0.95 1.05 2nlzA1 TYR 360 H 0.13 0.15 0.13 -0.55 8.29 8.15 2nlzA1 TYR 360 HA 0.06 0.29 1.12 -0.75 4.56 5.27 2nlzA1 TYR 360 HB2 0.02 -0.07 -0.01 -0.04 3.06 2.96 2nlzA1 TYR 360 HB3 0.01 0.03 -0.00 -0.04 2.98 2.97 2nlzA1 TYR 360 HD2 0.01 -0.03 -0.11 -0.04 7.15 6.98 2nlzA1 TYR 360 HE2 -0.02 -0.02 -0.14 -0.04 6.85 6.63 2nlzA1 LEU 361 H -1.79 0.39 0.28 -0.55 8.37 6.70 2nlzA1 LEU 361 HA -0.25 0.13 0.83 -0.75 4.35 4.30 2nlzA1 LEU 361 HB2 -0.07 -0.01 -0.48 -0.04 1.64 1.04 2nlzA1 LEU 361 HB3 -0.07 0.15 0.04 -0.04 1.64 1.71 2nlzA1 LEU 361 HG -0.11 -0.05 -0.15 -0.04 1.64 1.29 2nlzA1 LEU 361 HD13 -0.09 0.03 -0.21 -0.04 0.93 0.62 2nlzA1 LEU 361 HD23 -0.09 -0.02 -0.26 -0.04 0.89 0.48 2nlzA1 ALA 362 H -0.18 0.56 0.32 -0.55 8.40 8.55 2nlzA1 ALA 362 HA -0.10 0.31 0.96 -0.75 4.34 4.76 2nlzA1 ALA 362 HB3 -0.02 0.00 -0.06 -0.04 1.41 1.29 2nlzA1 THR 363 H 0.03 0.57 0.37 -0.55 8.28 8.70 2nlzA1 THR 363 HA 0.00 0.36 1.08 -0.75 4.39 5.08 2nlzA1 THR 363 HB 0.02 -0.02 0.09 -0.04 4.32 4.37 2nlzA1 THR 363 HG23 -0.05 -0.04 -0.22 -0.04 1.22 0.88 2nlzA1 ALA 364 H 0.05 0.58 0.38 -0.55 8.40 8.87 2nlzA1 ALA 364 HA 0.11 0.20 0.74 -0.75 4.34 4.64 2nlzA1 ALA 364 HB3 0.07 0.03 -0.05 -0.04 1.41 1.43 2nlzA1 ASP 365 H 0.13 0.60 0.27 -0.55 8.40 8.84 2nlzA1 ASP 365 HA 0.17 0.20 0.68 -0.75 4.63 4.92 2nlzA1 ASP 365 HB2 0.19 0.06 0.31 -0.04 2.71 3.23 2nlzA1 ASP 365 HB3 0.13 -0.01 0.06 -0.04 2.70 2.84 2nlzA1 GLY 366 H 0.18 0.33 0.23 -0.55 8.43 8.61 2nlzA1 GLY 366 HA2 0.09 0.36 0.61 -0.51 4.01 4.56 2nlzA1 GLY 366 HA3 0.10 0.01 0.43 -0.51 4.01 4.04 2nlzA1 ASP 367 H 0.12 0.00 -0.05 -0.55 8.40 7.92 2nlzA1 ASP 367 HA 0.08 0.21 0.56 -0.75 4.63 4.73 2nlzA1 ASP 367 HB2 0.10 -0.11 0.09 -0.04 2.71 2.75 2nlzA1 ASP 367 HB3 0.08 0.05 0.20 -0.04 2.70 2.99 2nlzA1 GLY 368 H 0.12 0.28 -0.71 -0.55 8.43 7.57 2nlzA1 GLY 368 HA2 0.14 0.13 0.20 -0.51 4.01 3.98 2nlzA1 GLY 368 HA3 0.17 0.08 0.33 -0.51 4.01 4.09 2nlzA1 ASN 369 H 0.15 -0.09 -0.33 -0.55 8.53 7.71 2nlzA1 ASN 369 HA 0.25 0.42 0.95 -0.75 4.76 5.63 2nlzA1 ASN 369 HB2 0.12 -0.27 0.10 -0.04 2.88 2.78 2nlzA1 ASN 369 HB3 0.11 0.04 0.07 -0.04 2.79 2.97 2nlzA1 ASN 369 HD21 0.08 0.12 0.03 -0.04 7.03 7.22 2nlzA1 ASN 369 HD22 0.09 -0.22 0.06 -0.04 7.74 7.64 2nlzA1 MET 370 H 0.29 0.70 0.36 -0.55 8.47 9.28 2nlzA1 MET 370 HA 0.19 0.16 0.87 -0.75 4.52 4.98 2nlzA1 MET 370 HB2 0.51 -0.06 0.04 -0.04 2.15 2.60 2nlzA1 MET 370 HB3 0.32 0.05 0.06 -0.04 2.03 2.42 2nlzA1 MET 370 HG2 0.15 0.03 -0.10 -0.04 2.63 2.67 2nlzA1 MET 370 HG3 0.18 0.05 -0.46 -0.04 2.56 2.30 2nlzA1 MET 370 HE3 0.00 -0.01 -0.35 -0.04 2.10 1.70 2nlzA1 VAL 371 H 0.17 0.67 0.33 -0.55 8.24 8.86 2nlzA1 VAL 371 HA 0.30 0.28 0.99 -0.75 4.13 4.95 2nlzA1 VAL 371 HB 0.19 0.03 0.01 -0.04 2.12 2.30 2nlzA1 VAL 371 HG13 0.11 -0.06 -0.32 -0.04 0.97 0.65 2nlzA1 VAL 371 HG23 0.22 0.01 -0.32 -0.04 0.95 0.81 2nlzA1 SER 372 H 0.32 0.77 0.37 -0.55 8.46 9.38 2nlzA1 SER 372 HA 0.17 0.18 0.99 -0.75 4.49 5.08 2nlzA1 SER 372 HB2 0.30 0.02 0.27 -0.04 3.95 4.50 2nlzA1 SER 372 HB3 0.27 -0.15 0.27 -0.04 3.93 4.27 2nlzA1 PHE 373 H -0.02 0.64 0.27 -0.55 8.34 8.67 2nlzA1 PHE 373 HA 0.10 0.28 1.19 -0.75 4.62 5.44 2nlzA1 PHE 373 HB2 0.03 -0.07 -0.20 -0.04 3.15 2.87 2nlzA1 PHE 373 HB3 -0.06 -0.03 -0.06 -0.04 3.06 2.86 2nlzA1 PHE 373 HD2 0.06 -0.02 -0.30 -0.04 7.28 6.98 2nlzA1 PHE 373 HE2 0.18 -0.01 -0.24 -0.04 7.38 7.27 2nlzA1 PHE 373 HZ 0.38 -0.02 -0.19 -0.04 7.32 7.46 2nlzA1 ILE 374 H -0.72 0.54 0.33 -0.55 8.25 7.84 2nlzA1 ILE 374 HA 0.11 0.32 0.95 -0.75 4.18 4.81 2nlzA1 ILE 374 HB 0.36 0.02 -0.29 -0.04 1.89 1.94 2nlzA1 ILE 374 HG12 0.07 -0.08 -0.20 -0.04 1.49 1.23 2nlzA1 ILE 374 HG13 0.15 0.21 -0.05 -0.04 1.21 1.48 2nlzA1 ILE 374 HG23 0.02 -0.01 -0.21 -0.04 0.93 0.68 2nlzA1 ILE 374 HD13 0.11 -0.04 -0.16 -0.04 0.88 0.74 2nlzA1 GLN 375 H 0.12 0.54 0.35 -0.55 8.47 8.93 2nlzA1 GLN 375 HA 0.05 0.14 0.82 -0.75 4.36 4.63 2nlzA1 GLN 375 HB2 0.15 0.10 0.06 -0.04 2.15 2.41 2nlzA1 GLN 375 HB3 0.18 -0.06 -0.08 -0.04 2.02 2.02 2nlzA1 GLN 375 HG2 0.35 -0.02 -0.02 -0.04 2.40 2.67 2nlzA1 GLN 375 HG3 0.22 0.01 -0.16 -0.04 2.39 2.42 2nlzA1 GLN 375 HE21 0.58 -0.01 -0.19 -0.04 6.97 7.31 2nlzA1 GLN 375 HE22 0.28 -0.04 -0.14 -0.04 7.69 7.75 2nlzA1 SER 376 H 0.11 0.53 0.37 -0.55 8.46 8.92 2nlzA1 SER 376 HA 0.06 0.38 0.93 -0.75 4.49 5.11 2nlzA1 SER 376 HB2 0.07 0.07 -0.06 -0.04 3.95 3.99 2nlzA1 SER 376 HB3 0.12 -0.08 0.02 -0.04 3.93 3.95 2nlzA1 ASN 377 H 0.05 0.45 -0.09 -0.55 8.53 8.39 2nlzA1 ASN 377 HA 0.11 0.08 0.72 -0.75 4.76 4.92 2nlzA1 ASN 377 HB2 0.04 0.21 -0.33 -0.04 2.88 2.77 2nlzA1 ASN 377 HB3 0.11 -0.05 -0.39 -0.04 2.79 2.43 2nlzA1 ASN 377 HD21 0.19 0.03 -0.33 -0.04 7.03 6.88 2nlzA1 ASN 377 HD22 0.17 0.39 -0.41 -0.04 7.74 7.84 2nlzA1 TYR 378 H 0.14 0.03 -0.54 -0.55 8.29 7.37 2nlzA1 TYR 378 HA -0.05 -0.01 0.28 -0.75 4.56 4.03 2nlzA1 TYR 378 HB2 -0.06 -0.07 -0.07 -0.04 3.06 2.81 2nlzA1 TYR 378 HB3 -0.01 0.01 0.22 -0.04 2.98 3.16 2nlzA1 TYR 378 HD2 -0.07 0.00 -0.11 -0.04 7.15 6.94 2nlzA1 TYR 378 HE2 0.01 0.01 -0.08 -0.04 6.85 6.75 2nlzA1 MET 379 H -0.05 0.21 0.05 -0.55 8.47 8.13 2nlzA1 MET 379 HA -0.28 0.10 0.52 -0.75 4.52 4.10 2nlzA1 MET 379 HB2 -0.15 0.07 0.15 -0.04 2.15 2.18 2nlzA1 MET 379 HB3 -0.11 0.03 0.03 -0.04 2.03 1.94 2nlzA1 MET 379 HG2 -0.55 -0.00 -0.06 -0.04 2.63 1.98 2nlzA1 MET 379 HG3 -1.31 -0.07 -0.07 -0.04 2.56 1.07 2nlzA1 MET 379 HE3 -0.20 -0.00 -0.04 -0.04 2.10 1.81 2nlzA1 GLY 380 H -0.11 0.27 0.14 -0.55 8.43 8.19 2nlzA1 GLY 380 HA2 -0.15 0.30 0.42 -0.51 4.01 4.07 2nlzA1 GLY 380 HA3 -0.03 -0.05 0.42 -0.51 4.01 3.85 2nlzA1 PHE 381 H 0.23 0.11 0.19 -0.55 8.34 8.32 2nlzA1 PHE 381 HA -0.04 0.22 0.39 -0.75 4.62 4.44 2nlzA1 PHE 381 HB2 0.14 0.01 0.06 -0.04 3.15 3.33 2nlzA1 PHE 381 HB3 0.40 -0.09 -0.00 -0.04 3.06 3.32 2nlzA1 PHE 381 HD2 -0.32 -0.04 0.05 -0.04 7.28 6.93 2nlzA1 PHE 381 HE2 -1.39 -0.02 -0.04 -0.04 7.38 5.89 2nlzA1 PHE 381 HZ -2.21 -0.01 -0.09 -0.04 7.32 4.96 2nlzA1 GLY 382 H 0.19 0.61 -0.57 -0.55 8.43 8.11 2nlzA1 GLY 382 HA2 0.16 0.01 0.19 -0.51 4.01 3.86 2nlzA1 GLY 382 HA3 0.20 0.09 0.59 -0.51 4.01 4.38 2nlzA1 SER 383 H 0.19 0.62 0.14 -0.55 8.46 8.87 2nlzA1 SER 383 HA 0.23 0.20 0.42 -0.75 4.49 4.58 2nlzA1 SER 383 HB2 0.09 0.20 0.11 -0.04 3.95 4.31 2nlzA1 SER 383 HB3 0.15 0.14 -0.15 -0.04 3.93 4.02 2nlzA1 GLY 384 H 0.15 0.26 -0.45 -0.55 8.43 7.84 2nlzA1 GLY 384 HA2 -0.23 0.03 0.15 -0.51 4.01 3.45 2nlzA1 GLY 384 HA3 -1.29 0.11 0.52 -0.51 4.01 2.84 2nlzA1 VAL 385 H 0.00 0.11 -0.58 -0.55 8.24 7.22 2nlzA1 VAL 385 HA -0.05 0.19 0.60 -0.75 4.13 4.12 2nlzA1 VAL 385 HB 0.09 -0.02 0.06 -0.04 2.12 2.20 2nlzA1 VAL 385 HG13 -0.16 -0.01 -0.19 -0.04 0.97 0.57 2nlzA1 VAL 385 HG23 -0.20 0.02 -0.27 -0.04 0.95 0.45 2nlzA1 VAL 386 H 0.08 0.33 0.11 -0.55 8.24 8.21 2nlzA1 VAL 386 HA 0.13 0.38 0.87 -0.75 4.13 4.76 2nlzA1 VAL 386 HB 0.11 -0.12 -0.20 -0.04 2.12 1.87 2nlzA1 VAL 386 HG13 -0.01 0.02 -0.43 -0.04 0.97 0.51 2nlzA1 VAL 386 HG23 0.49 0.03 -0.24 -0.04 0.95 1.18 2nlzA1 VAL 387 H -0.01 0.34 0.05 -0.55 8.24 8.07 2nlzA1 VAL 387 HA -0.66 0.13 0.54 -0.75 4.13 3.39 2nlzA1 VAL 387 HB -0.04 -0.14 0.05 -0.04 2.12 1.95 2nlzA1 VAL 387 HG13 -0.03 0.03 -0.18 -0.04 0.97 0.74 2nlzA1 VAL 387 HG23 0.14 0.03 0.01 -0.04 0.95 1.09 2nlzA1 PRO 388 HA -0.16 -0.01 0.25 -0.51 4.44 4.02 2nlzA1 PRO 388 HB2 -0.06 0.03 -0.01 -0.04 2.28 2.20 2nlzA1 PRO 388 HB3 -0.14 0.06 0.14 -0.04 2.02 2.05 2nlzA1 PRO 388 HG2 -0.09 0.01 0.10 -0.04 2.03 2.01 2nlzA1 PRO 388 HG3 -0.07 0.07 0.11 -0.04 2.03 2.10 2nlzA1 PRO 388 HD2 -0.53 0.07 0.23 -0.04 3.68 3.41 2nlzA1 PRO 388 HD3 -1.68 0.24 0.30 -0.04 3.65 2.48 2nlzA1 GLY 389 H -0.06 0.16 0.14 -0.55 8.43 8.13 2nlzA1 GLY 389 HA2 -0.03 0.01 0.34 -0.51 4.01 3.83 2nlzA1 GLY 389 HA3 -0.03 0.11 0.33 -0.51 4.01 3.92 2nlzA1 THR 390 H -0.06 0.29 -0.45 -0.55 8.28 7.51 2nlzA1 THR 390 HA -0.02 0.28 1.05 -0.75 4.39 4.95 2nlzA1 THR 390 HB -0.01 0.07 -0.15 -0.04 4.32 4.18 2nlzA1 THR 390 HG23 -0.03 -0.02 -0.21 -0.04 1.22 0.91 2nlzA1 GLY 391 H -0.08 0.11 -0.06 -0.55 8.43 7.85 2nlzA1 GLY 391 HA2 -0.13 0.08 0.19 -0.51 4.01 3.64 2nlzA1 GLY 391 HA3 -0.40 -0.00 0.20 -0.51 4.01 3.30 2nlzA1 ILE 392 H -0.03 0.10 -0.51 -0.55 8.25 7.26 2nlzA1 ILE 392 HA 0.08 0.03 0.72 -0.75 4.18 4.26 2nlzA1 ILE 392 HB 0.08 -0.06 0.09 -0.04 1.89 1.96 2nlzA1 ILE 392 HG12 0.19 0.00 -0.12 -0.04 1.49 1.52 2nlzA1 ILE 392 HG13 0.05 0.08 -0.22 -0.04 1.21 1.08 2nlzA1 ILE 392 HG23 0.23 -0.00 -0.23 -0.04 0.93 0.89 2nlzA1 ILE 392 HD13 0.14 0.00 -0.09 -0.04 0.88 0.89 2nlzA1 ALA 393 H 0.26 0.20 0.15 -0.55 8.40 8.45 2nlzA1 ALA 393 HA 0.32 0.18 0.85 -0.75 4.34 4.94 2nlzA1 ALA 393 HB3 0.51 0.05 0.11 -0.04 1.41 2.03 2nlzA1 MET 394 H 0.23 0.77 0.30 -0.55 8.47 9.22 2nlzA1 MET 394 HA 0.19 0.04 0.68 -0.75 4.52 4.68 2nlzA1 MET 394 HB2 0.26 -0.03 0.15 -0.04 2.15 2.49 2nlzA1 MET 394 HB3 0.27 0.07 0.07 -0.04 2.03 2.40 2nlzA1 MET 394 HG2 0.24 0.04 -0.06 -0.04 2.63 2.82 2nlzA1 MET 394 HG3 0.52 -0.04 -0.04 -0.04 2.56 2.96 2nlzA1 MET 394 HE3 -0.03 0.02 -0.04 -0.04 2.10 2.01 2nlzA1 GLN 395 H 0.14 0.40 0.31 -0.55 8.47 8.78 2nlzA1 GLN 395 HA 0.16 0.13 0.50 -0.75 4.36 4.38 2nlzA1 GLN 395 HB2 0.12 -0.16 0.09 -0.04 2.15 2.15 2nlzA1 GLN 395 HB3 0.11 0.10 0.29 -0.04 2.02 2.48 2nlzA1 GLN 395 HG2 0.09 0.20 0.16 -0.04 2.40 2.81 2nlzA1 GLN 395 HG3 0.09 -0.16 -0.07 -0.04 2.39 2.21 2nlzA1 GLN 395 HE21 0.02 -0.11 -0.09 -0.04 6.97 6.75 2nlzA1 GLN 395 HE22 0.03 0.27 -0.55 -0.04 7.69 7.40 2nlzA1 ASN 396 H 0.18 0.43 0.18 -0.55 8.53 8.76 2nlzA1 ASN 396 HA 0.14 0.27 0.68 -0.75 4.76 5.09 2nlzA1 ASN 396 HB2 0.09 0.17 0.15 -0.04 2.88 3.24 2nlzA1 ASN 396 HB3 0.14 -0.04 -0.16 -0.04 2.79 2.69 2nlzA1 ASN 396 HD21 -0.22 -0.14 0.05 -0.04 7.03 6.68 2nlzA1 ASN 396 HD22 -0.23 0.62 0.21 -0.04 7.74 8.30 2nlzA1 ARG 397 H 0.09 0.07 -0.15 -0.55 8.46 7.91 2nlzA1 ARG 397 HA -0.32 0.01 0.31 -0.75 4.34 3.59 2nlzA1 ARG 397 HB2 -0.04 -0.06 0.06 -0.04 1.90 1.82 2nlzA1 ARG 397 HB3 -0.02 0.04 0.03 -0.04 1.80 1.80 2nlzA1 ARG 397 HG2 -0.10 -0.01 -0.03 -0.04 1.67 1.48 2nlzA1 ARG 397 HG3 -0.27 0.06 -0.17 -0.04 1.67 1.25 2nlzA1 ARG 397 HD2 -1.01 0.08 0.00 -0.04 3.22 2.25 2nlzA1 ARG 397 HD3 -0.74 0.03 0.13 -0.04 3.22 2.60 2nlzA1 GLY 398 H 0.06 0.36 -0.24 -0.55 8.43 8.07 2nlzA1 GLY 398 HA2 0.08 -0.04 0.30 -0.51 4.01 3.84 2nlzA1 GLY 398 HA3 0.18 0.13 0.21 -0.51 4.01 4.02 2nlzA1 HIS 399 H 0.15 0.54 -0.35 -0.55 8.41 8.20 2nlzA1 HIS 399 HA 0.03 0.06 0.39 -0.75 4.63 4.36 2nlzA1 HIS 399 HB2 0.06 0.10 0.09 -0.04 3.26 3.47 2nlzA1 HIS 399 HB3 0.22 -0.05 0.04 -0.04 3.20 3.37 2nlzA1 HIS 399 HD2 0.28 -0.06 -0.16 -0.04 6.97 6.98 2nlzA1 HIS 399 HE1 -0.06 -0.06 -0.06 -0.04 7.75 7.52 2nlzA1 ASN 400 H -0.19 0.48 -0.22 -0.55 8.53 8.05 2nlzA1 ASN 400 HA -0.08 0.04 0.50 -0.75 4.76 4.48 2nlzA1 ASN 400 HB2 -0.41 0.15 0.13 -0.04 2.88 2.71 2nlzA1 ASN 400 HB3 -0.19 0.01 0.03 -0.04 2.79 2.60 2nlzA1 ASN 400 HD21 0.01 -0.13 -0.04 -0.04 7.03 6.83 2nlzA1 ASN 400 HD22 0.12 0.06 0.04 -0.04 7.74 7.91 2nlzA1 PHE 401 H -0.03 0.36 -0.34 -0.55 8.34 7.78 2nlzA1 PHE 401 HA -0.04 0.07 0.50 -0.75 4.62 4.40 2nlzA1 PHE 401 HB2 -0.06 0.16 0.08 -0.04 3.15 3.30 2nlzA1 PHE 401 HB3 -0.05 0.00 -0.07 -0.04 3.06 2.90 2nlzA1 PHE 401 HD2 -0.01 0.22 -0.08 -0.04 7.28 7.37 2nlzA1 PHE 401 HE2 0.01 -0.03 -0.14 -0.04 7.38 7.18 2nlzA1 PHE 401 HZ 0.02 0.22 -0.18 -0.04 7.32 7.33 2nlzA1 SER 402 H 0.12 0.68 0.26 -0.55 8.46 8.97 2nlzA1 SER 402 HA -0.09 0.16 0.80 -0.75 4.49 4.61 2nlzA1 SER 402 HB2 -0.36 0.08 0.03 -0.04 3.95 3.66 2nlzA1 SER 402 HB3 -0.06 0.01 -0.20 -0.04 3.93 3.64 2nlzA1 LEU 403 H -0.04 0.29 0.17 -0.55 8.37 8.23 2nlzA1 LEU 403 HA -0.01 0.11 0.83 -0.75 4.35 4.52 2nlzA1 LEU 403 HB2 -0.01 0.27 -0.18 -0.04 1.64 1.68 2nlzA1 LEU 403 HB3 -0.00 -0.00 0.06 -0.04 1.64 1.66 2nlzA1 LEU 403 HG -0.02 0.02 -0.35 -0.04 1.64 1.25 2nlzA1 LEU 403 HD13 0.02 -0.02 -0.54 -0.04 0.93 0.34 2nlzA1 LEU 403 HD23 -0.03 0.02 -0.11 -0.04 0.89 0.72 2nlzA1 ASP 404 H -0.02 0.04 -0.04 -0.55 8.40 7.84 2nlzA1 ASP 404 HA 0.01 0.19 0.80 -0.75 4.63 4.88 2nlzA1 ASP 404 HB2 0.00 0.07 0.12 -0.04 2.71 2.87 2nlzA1 ASP 404 HB3 0.03 -0.01 0.17 -0.04 2.70 2.85 2nlzA1 PRO 405 HA 0.02 0.12 0.22 -0.51 4.44 4.29 2nlzA1 PRO 405 HB2 0.01 0.00 -0.03 -0.04 2.28 2.23 2nlzA1 PRO 405 HB3 0.01 0.02 0.08 -0.04 2.02 2.08 2nlzA1 PRO 405 HG2 0.01 0.00 0.08 -0.04 2.03 2.08 2nlzA1 PRO 405 HG3 0.00 0.08 0.07 -0.04 2.03 2.15 2nlzA1 PRO 405 HD2 0.02 0.03 0.19 -0.04 3.68 3.88 2nlzA1 PRO 405 HD3 0.01 0.36 0.38 -0.04 3.65 4.36 2nlzA1 ASN 406 H 0.04 0.02 -0.33 -0.55 8.53 7.71 2nlzA1 ASN 406 HA 0.03 0.17 0.63 -0.75 4.76 4.84 2nlzA1 ASN 406 HB2 0.03 -0.03 -0.00 -0.04 2.88 2.83 2nlzA1 ASN 406 HB3 0.01 0.01 0.08 -0.04 2.79 2.86 2nlzA1 ASN 406 HD21 0.01 -0.01 -0.02 -0.04 7.03 6.97 2nlzA1 ASN 406 HD22 0.02 0.00 -0.00 -0.04 7.74 7.71 2nlzA1 HIS 407 H 0.13 0.37 -0.26 -0.55 8.41 8.10 2nlzA1 HIS 407 HA -0.00 0.10 0.71 -0.75 4.63 4.68 2nlzA1 HIS 407 HB2 -0.01 -0.08 0.08 -0.04 3.26 3.22 2nlzA1 HIS 407 HB3 0.01 0.03 -0.02 -0.04 3.20 3.18 2nlzA1 HIS 407 HD2 -0.04 -0.06 0.04 -0.04 6.97 6.86 2nlzA1 HIS 407 HE1 -0.07 0.33 0.13 -0.04 7.75 8.09 2nlzA1 ASP 408 H -0.28 0.23 0.19 -0.55 8.40 7.99 2nlzA1 ASP 408 HA 0.06 0.12 0.39 -0.75 4.63 4.45 2nlzA1 ASP 408 HB2 0.01 0.10 0.06 -0.04 2.71 2.83 2nlzA1 ASP 408 HB3 0.08 0.10 0.04 -0.04 2.70 2.88 2nlzA1 ASN 409 H 0.58 0.10 -0.24 -0.55 8.53 8.43 2nlzA1 ASN 409 HA 0.22 0.12 0.70 -0.75 4.76 5.05 2nlzA1 ASN 409 HB2 0.22 0.14 0.05 -0.04 2.88 3.25 2nlzA1 ASN 409 HB3 0.12 0.02 0.12 -0.04 2.79 3.00 2nlzA1 ASN 409 HD21 -0.15 -0.05 -0.10 -0.04 7.03 6.70 2nlzA1 ASN 409 HD22 -0.03 0.09 0.20 -0.04 7.74 7.95 2nlzA1 ALA 410 H 0.16 0.35 -0.70 -0.55 8.40 7.66 2nlzA1 ALA 410 HA 0.08 0.09 0.42 -0.75 4.34 4.17 2nlzA1 ALA 410 HB3 0.05 0.03 -0.04 -0.04 1.41 1.41 2nlzA1 LEU 411 H -0.04 0.42 0.20 -0.55 8.37 8.41 2nlzA1 LEU 411 HA -0.88 0.03 0.50 -0.75 4.35 3.24 2nlzA1 LEU 411 HB2 -0.27 0.06 -0.01 -0.04 1.64 1.37 2nlzA1 LEU 411 HB3 -0.17 -0.06 0.06 -0.04 1.64 1.43 2nlzA1 LEU 411 HG -0.30 -0.11 -0.51 -0.04 1.64 0.68 2nlzA1 LEU 411 HD13 -0.72 0.01 -0.13 -0.04 0.93 0.05 2nlzA1 LEU 411 HD23 -0.17 -0.01 -0.27 -0.04 0.89 0.40 2nlzA1 LYS 412 H -0.53 0.26 0.19 -0.55 8.42 7.79 2nlzA1 LYS 412 HA -0.13 0.06 0.73 -0.75 4.32 4.24 2nlzA1 LYS 412 HB2 -0.05 0.12 -0.17 -0.04 1.87 1.72 2nlzA1 LYS 412 HB3 -0.05 -0.04 -0.08 -0.04 1.79 1.58 2nlzA1 LYS 412 HG2 -0.01 -0.03 -0.03 -0.04 1.46 1.34 2nlzA1 LYS 412 HG3 -0.04 -0.02 0.10 -0.04 1.46 1.46 2nlzA1 LYS 412 HD2 -0.03 0.05 -0.03 -0.04 1.69 1.63 2nlzA1 LYS 412 HD3 -0.00 0.06 -0.11 -0.04 1.68 1.59 2nlzA1 LYS 412 HE2 0.00 -0.02 -0.02 -0.04 2.99 2.91 2nlzA1 LYS 412 HE3 -0.01 -0.06 0.01 -0.04 2.99 2.89 2nlzA1 PRO 413 HA -0.09 0.18 0.52 -0.51 4.44 4.53 2nlzA1 PRO 413 HB2 -0.02 -0.02 0.01 -0.04 2.28 2.21 2nlzA1 PRO 413 HB3 -0.05 0.05 -0.13 -0.04 2.02 1.84 2nlzA1 PRO 413 HG2 -0.03 -0.01 0.09 -0.04 2.03 2.04 2nlzA1 PRO 413 HG3 -0.04 -0.01 0.02 -0.04 2.03 1.95 2nlzA1 PRO 413 HD2 -0.07 0.06 0.24 -0.04 3.68 3.87 2nlzA1 PRO 413 HD3 -0.10 0.04 0.14 -0.04 3.65 3.70 2nlzA1 GLY 414 H -0.01 0.38 0.01 -0.55 8.43 8.26 2nlzA1 GLY 414 HA2 0.03 0.08 0.29 -0.51 4.01 3.90 2nlzA1 GLY 414 HA3 0.02 0.02 0.35 -0.51 4.01 3.88 2nlzA1 LYS 415 H 0.02 0.35 -0.16 -0.55 8.42 8.07 2nlzA1 LYS 415 HA 0.10 0.10 0.81 -0.75 4.32 4.58 2nlzA1 LYS 415 HB2 0.05 0.02 -0.09 -0.04 1.87 1.81 2nlzA1 LYS 415 HB3 0.02 0.14 0.08 -0.04 1.79 1.99 2nlzA1 LYS 415 HG2 0.31 0.05 -0.25 -0.04 1.46 1.53 2nlzA1 LYS 415 HG3 0.14 -0.10 0.05 -0.04 1.46 1.51 2nlzA1 LYS 415 HD2 0.07 -0.03 -0.03 -0.04 1.69 1.66 2nlzA1 LYS 415 HD3 0.25 0.04 -0.05 -0.04 1.68 1.88 2nlzA1 LYS 415 HE2 0.24 -0.15 0.01 -0.04 2.99 3.05 2nlzA1 LYS 415 HE3 0.13 -0.12 0.04 -0.04 2.99 3.00 2nlzA1 ARG 416 H 0.14 0.15 0.17 -0.55 8.46 8.37 2nlzA1 ARG 416 HA 0.22 0.16 0.95 -0.75 4.34 4.91 2nlzA1 ARG 416 HB2 0.10 0.05 -0.15 -0.04 1.90 1.85 2nlzA1 ARG 416 HB3 0.10 -0.01 -0.35 -0.04 1.80 1.50 2nlzA1 ARG 416 HG2 0.09 -0.12 0.15 -0.04 1.67 1.76 2nlzA1 ARG 416 HG3 0.08 0.01 -0.07 -0.04 1.67 1.65 2nlzA1 ARG 416 HD2 0.04 0.18 -0.07 -0.04 3.22 3.33 2nlzA1 ARG 416 HD3 0.07 -0.03 -0.08 -0.04 3.22 3.14 2nlzA1 THR 417 H -0.14 0.11 0.02 -0.55 8.28 7.72 2nlzA1 THR 417 HA -0.19 0.08 0.22 -0.75 4.39 3.75 2nlzA1 THR 417 HB -2.32 -0.00 -0.06 -0.04 4.32 1.89 2nlzA1 THR 417 HG23 -0.44 0.02 -0.17 -0.04 1.22 0.60 2nlzA1 TYR 418 H 0.05 0.14 0.11 -0.55 8.29 8.04 2nlzA1 TYR 418 HA -0.01 0.15 0.46 -0.75 4.56 4.41 2nlzA1 TYR 418 HB2 0.02 0.19 0.17 -0.04 3.06 3.40 2nlzA1 TYR 418 HB3 -0.07 0.01 0.11 -0.04 2.98 2.98 2nlzA1 TYR 418 HD2 0.01 0.11 -0.15 -0.04 7.15 7.08 2nlzA1 TYR 418 HE2 0.12 -0.04 -0.18 -0.04 6.85 6.71 2nlzA1 HIS 419 H -0.30 0.50 0.24 -0.55 8.41 8.30 2nlzA1 HIS 419 HA -0.23 0.10 0.76 -0.75 4.63 4.51 2nlzA1 HIS 419 HB2 -0.09 0.21 -0.19 -0.04 3.26 3.16 2nlzA1 HIS 419 HB3 -0.34 -0.07 -0.10 -0.04 3.20 2.66 2nlzA1 HIS 419 HD2 0.01 0.11 -0.14 -0.04 6.97 6.91 2nlzA1 HIS 419 HE1 0.09 -0.03 -0.05 -0.04 7.75 7.71 2nlzA1 THR 420 H -0.35 0.11 0.12 -0.55 8.28 7.61 2nlzA1 THR 420 HA -0.33 0.16 0.45 -0.75 4.39 3.92 2nlzA1 THR 420 HB -0.25 0.11 -0.01 -0.04 4.32 4.13 2nlzA1 THR 420 HG23 -0.55 0.03 -0.11 -0.04 1.22 0.55 2nlzA1 ILE 421 H 0.04 0.00 -0.05 -0.55 8.25 7.69 2nlzA1 ILE 421 HA -0.07 -0.01 0.40 -0.75 4.18 3.75 2nlzA1 ILE 421 HB 0.20 -0.03 0.01 -0.04 1.89 2.03 2nlzA1 ILE 421 HG12 0.07 0.02 -0.12 -0.04 1.49 1.42 2nlzA1 ILE 421 HG13 0.10 -0.06 -0.00 -0.04 1.21 1.21 2nlzA1 ILE 421 HG23 -0.00 0.01 -0.33 -0.04 0.93 0.56 2nlzA1 ILE 421 HD13 0.24 0.01 -0.09 -0.04 0.88 1.00 2nlzA1 ILE 422 H -0.14 0.16 0.07 -0.55 8.25 7.79 2nlzA1 ILE 422 HA -0.31 0.20 0.80 -0.75 4.18 4.11 2nlzA1 ILE 422 HB -0.26 0.01 -0.05 -0.04 1.89 1.55 2nlzA1 ILE 422 HG12 -0.34 0.15 -0.03 -0.04 1.49 1.23 2nlzA1 ILE 422 HG13 -0.50 -0.06 0.05 -0.04 1.21 0.65 2nlzA1 ILE 422 HG23 -0.33 0.03 -0.38 -0.04 0.93 0.21 2nlzA1 ILE 422 HD13 -0.70 0.00 -0.27 -0.04 0.88 -0.13 2nlzA1 PRO 423 HA 0.04 0.12 0.87 -0.51 4.44 4.96 2nlzA1 PRO 423 HB2 0.14 0.05 -0.09 -0.04 2.28 2.35 2nlzA1 PRO 423 HB3 0.16 0.01 -0.19 -0.04 2.02 1.96 2nlzA1 PRO 423 HG2 0.08 0.01 -0.13 -0.04 2.03 1.95 2nlzA1 PRO 423 HG3 0.07 0.04 -0.38 -0.04 2.03 1.72 2nlzA1 PRO 423 HD2 -0.12 0.03 0.17 -0.04 3.68 3.72 2nlzA1 PRO 423 HD3 -0.15 0.14 -0.09 -0.04 3.65 3.50 2nlzA1 GLY 424 H -0.37 0.50 0.41 -0.55 8.43 8.42 2nlzA1 GLY 424 HA2 -0.14 0.31 0.94 -0.51 4.01 4.60 2nlzA1 GLY 424 HA3 -1.38 -0.02 0.32 -0.51 4.01 2.42 2nlzA1 PHE 425 H 0.22 0.53 0.34 -0.55 8.34 8.88 2nlzA1 PHE 425 HA 0.20 0.20 0.76 -0.75 4.62 5.03 2nlzA1 PHE 425 HB2 0.12 -0.01 -0.19 -0.04 3.15 3.03 2nlzA1 PHE 425 HB3 0.22 -0.05 -0.07 -0.04 3.06 3.13 2nlzA1 PHE 425 HD2 0.12 0.01 -0.19 -0.04 7.28 7.18 2nlzA1 PHE 425 HE2 -0.08 -0.05 -0.12 -0.04 7.38 7.08 2nlzA1 PHE 425 HZ -0.07 0.03 -0.11 -0.04 7.32 7.12 2nlzA1 LEU 426 H -0.02 0.70 0.35 -0.55 8.37 8.85 2nlzA1 LEU 426 HA 0.44 0.30 1.18 -0.75 4.35 5.51 2nlzA1 LEU 426 HB2 0.14 -0.01 -0.08 -0.04 1.64 1.65 2nlzA1 LEU 426 HB3 -0.20 -0.02 0.05 -0.04 1.64 1.43 2nlzA1 LEU 426 HG -0.07 -0.02 -0.17 -0.04 1.64 1.35 2nlzA1 LEU 426 HD13 0.01 0.05 -0.04 -0.04 0.93 0.91 2nlzA1 LEU 426 HD23 -0.91 0.00 -0.11 -0.04 0.89 -0.17 2nlzA1 THR 427 H 0.35 0.55 0.38 -0.55 8.28 9.01 2nlzA1 THR 427 HA 0.10 0.13 0.95 -0.75 4.39 4.81 2nlzA1 THR 427 HB 0.88 0.08 0.04 -0.04 4.32 5.28 2nlzA1 THR 427 HG23 0.32 -0.01 -0.20 -0.04 1.22 1.29 2nlzA1 LYS 428 H -0.01 0.72 0.20 -0.55 8.42 8.77 2nlzA1 LYS 428 HA -0.09 0.10 0.74 -0.75 4.32 4.32 2nlzA1 LYS 428 HB2 -0.37 0.01 -0.10 -0.04 1.87 1.37 2nlzA1 LYS 428 HB3 -0.18 0.03 0.08 -0.04 1.79 1.67 2nlzA1 LYS 428 HG2 -0.27 0.01 -0.25 -0.04 1.46 0.91 2nlzA1 LYS 428 HG3 -0.67 0.04 -0.13 -0.04 1.46 0.66 2nlzA1 LYS 428 HD2 -1.08 0.02 -0.06 -0.04 1.69 0.53 2nlzA1 LYS 428 HD3 -0.29 -0.02 -0.05 -0.04 1.68 1.29 2nlzA1 LYS 428 HE2 -0.21 -0.01 -0.03 -0.04 2.99 2.70 2nlzA1 LYS 428 HE3 -0.21 -0.02 -0.06 -0.04 2.99 2.65 2nlzA1 ASN 429 H -0.02 0.23 0.09 -0.55 8.53 8.28 2nlzA1 ASN 429 HA 0.02 0.03 0.32 -0.75 4.76 4.37 2nlzA1 ASN 429 HB2 -0.04 0.15 0.11 -0.04 2.88 3.06 2nlzA1 ASN 429 HB3 -0.01 0.01 0.17 -0.04 2.79 2.92 2nlzA1 ASN 429 HD21 -0.09 0.00 -0.04 -0.04 7.03 6.86 2nlzA1 ASN 429 HD22 -0.07 0.03 -0.06 -0.04 7.74 7.59 2nlzA1 ASP 430 H 0.12 0.04 -0.10 -0.55 8.40 7.92 2nlzA1 ASP 430 HA 0.22 -0.02 0.17 -0.75 4.63 4.26 2nlzA1 ASP 430 HB2 0.12 -0.08 -0.08 -0.04 2.71 2.63 2nlzA1 ASP 430 HB3 0.10 0.14 0.08 -0.04 2.70 2.98 2nlzA1 GLN 431 H 0.02 0.12 -0.71 -0.55 8.47 7.35 2nlzA1 GLN 431 HA 0.01 0.20 0.74 -0.75 4.36 4.56 2nlzA1 GLN 431 HB2 -0.04 0.13 0.09 -0.04 2.15 2.28 2nlzA1 GLN 431 HB3 -0.05 0.05 0.03 -0.04 2.02 2.00 2nlzA1 GLN 431 HG2 0.02 0.14 -0.18 -0.04 2.40 2.34 2nlzA1 GLN 431 HG3 -0.00 -0.08 0.01 -0.04 2.39 2.27 2nlzA1 GLN 431 HE21 0.07 -0.06 0.03 -0.04 6.97 6.97 2nlzA1 GLN 431 HE22 0.05 0.02 -0.04 -0.04 7.69 7.69 2nlzA1 PRO 432 HA -0.50 0.02 0.61 -0.51 4.44 4.07 2nlzA1 PRO 432 HB2 -0.58 0.03 -0.08 -0.04 2.28 1.61 2nlzA1 PRO 432 HB3 -2.84 -0.03 -0.02 -0.04 2.02 -0.91 2nlzA1 PRO 432 HG2 -0.30 0.07 0.05 -0.04 2.03 1.81 2nlzA1 PRO 432 HG3 -0.66 0.05 0.02 -0.04 2.03 1.41 2nlzA1 PRO 432 HD2 -0.14 0.13 0.19 -0.04 3.68 3.82 2nlzA1 PRO 432 HD3 -0.20 0.15 0.10 -0.04 3.65 3.66 2nlzA1 ILE 433 H -0.02 0.47 0.47 -0.55 8.25 8.63 2nlzA1 ILE 433 HA -0.04 0.41 1.13 -0.75 4.18 4.92 2nlzA1 ILE 433 HB -0.13 0.00 0.13 -0.04 1.89 1.85 2nlzA1 ILE 433 HG12 -0.15 -0.06 -0.37 -0.04 1.49 0.88 2nlzA1 ILE 433 HG13 -0.44 0.05 -0.25 -0.04 1.21 0.53 2nlzA1 ILE 433 HG23 -0.04 -0.01 -0.16 -0.04 0.93 0.68 2nlzA1 ILE 433 HD13 -0.59 -0.01 -0.14 -0.04 0.88 0.10 2nlzA1 GLY 434 H -0.19 0.40 0.37 -0.55 8.43 8.47 2nlzA1 GLY 434 HA2 -0.28 -0.04 0.15 -0.51 4.01 3.33 2nlzA1 GLY 434 HA3 0.22 0.56 1.11 -0.51 4.01 5.39 2nlzA1 PRO 435 HA -0.23 0.22 0.84 -0.51 4.44 4.77 2nlzA1 PRO 435 HB2 0.13 0.03 0.07 -0.04 2.28 2.47 2nlzA1 PRO 435 HB3 0.18 -0.06 -0.17 -0.04 2.02 1.93 2nlzA1 PRO 435 HG2 -0.02 -0.08 0.08 -0.04 2.03 1.97 2nlzA1 PRO 435 HG3 0.08 0.08 0.03 -0.04 2.03 2.19 2nlzA1 PRO 435 HD2 -0.06 0.38 0.31 -0.04 3.68 4.27 2nlzA1 PRO 435 HD3 -0.08 0.05 0.12 -0.04 3.65 3.70 2nlzA1 PHE 436 H -0.22 0.64 0.35 -0.55 8.34 8.56 2nlzA1 PHE 436 HA -0.16 0.28 0.66 -0.75 4.62 4.65 2nlzA1 PHE 436 HB2 -0.25 0.02 0.05 -0.04 3.15 2.93 2nlzA1 PHE 436 HB3 -0.25 0.06 -0.19 -0.04 3.06 2.63 2nlzA1 PHE 436 HD2 -0.10 0.04 -0.33 -0.04 7.28 6.84 2nlzA1 PHE 436 HE2 -0.32 0.02 -0.29 -0.04 7.38 6.75 2nlzA1 PHE 436 HZ 0.00 0.03 -0.10 -0.04 7.32 7.22 2nlzA1 GLY 437 H -0.31 0.46 0.26 -0.55 8.43 8.30 2nlzA1 GLY 437 HA2 -0.52 0.08 0.46 -0.51 4.01 3.52 2nlzA1 GLY 437 HA3 -1.61 0.02 0.43 -0.51 4.01 2.34 2nlzA1 VAL 438 H 0.06 0.25 -0.03 -0.55 8.24 7.97 2nlzA1 VAL 438 HA -0.07 0.28 0.76 -0.75 4.13 4.35 2nlzA1 VAL 438 HB 0.08 -0.05 0.00 -0.04 2.12 2.11 2nlzA1 VAL 438 HG13 0.00 0.05 -0.25 -0.04 0.97 0.73 2nlzA1 VAL 438 HG23 -0.02 -0.00 -0.27 -0.04 0.95 0.61 2nlzA1 MET 439 H -0.02 0.23 -0.01 -0.55 8.47 8.12 2nlzA1 MET 439 HA 0.01 -0.07 0.44 -0.75 4.52 4.15 2nlzA1 MET 439 HB2 0.05 0.11 0.17 -0.04 2.15 2.45 2nlzA1 MET 439 HB3 0.01 -0.46 0.12 -0.04 2.03 1.65 2nlzA1 MET 439 HG2 0.02 -0.08 -0.09 -0.04 2.63 2.44 2nlzA1 MET 439 HG3 0.01 0.04 -0.00 -0.04 2.56 2.57 2nlzA1 MET 439 HE3 -0.04 -0.02 -0.15 -0.04 2.10 1.85 2nlzA1 GLY 440 H -0.02 -0.01 0.16 -0.55 8.43 8.02 2nlzA1 GLY 440 HA2 -0.04 0.09 0.17 -0.51 4.01 3.72 2nlzA1 GLY 440 HA3 -0.02 0.24 0.77 -0.51 4.01 4.50 2nlzA1 GLY 441 H -0.03 0.01 0.14 -0.55 8.43 8.00 2nlzA1 GLY 441 HA2 -0.08 0.02 0.33 -0.51 4.01 3.77 2nlzA1 GLY 441 HA3 -0.02 0.10 0.40 -0.51 4.01 3.98 2nlzA1 PHE 442 H 0.20 0.21 0.23 -0.55 8.34 8.42 2nlzA1 PHE 442 HA 0.29 0.14 0.67 -0.75 4.62 4.97 2nlzA1 PHE 442 HB2 -0.01 0.02 0.11 -0.04 3.15 3.23 2nlzA1 PHE 442 HB3 -0.00 0.08 0.14 -0.04 3.06 3.24 2nlzA1 PHE 442 HD2 0.33 -0.01 0.03 -0.04 7.28 7.60 2nlzA1 PHE 442 HE2 0.25 0.03 -0.03 -0.04 7.38 7.59 2nlzA1 PHE 442 HZ 0.10 0.08 -0.03 -0.04 7.32 7.42 2nlzA1 MET 443 H 0.10 0.40 -0.25 -0.55 8.47 8.18 2nlzA1 MET 443 HA 0.14 0.09 0.58 -0.75 4.52 4.57 2nlzA1 MET 443 HB2 -0.01 0.03 0.03 -0.04 2.15 2.16 2nlzA1 MET 443 HB3 0.01 0.15 -0.01 -0.04 2.03 2.15 2nlzA1 MET 443 HG2 0.01 0.06 -0.34 -0.04 2.63 2.32 2nlzA1 MET 443 HG3 0.02 -0.08 -0.36 -0.04 2.56 2.09 2nlzA1 MET 443 HE3 -0.04 -0.01 -0.07 -0.04 2.10 1.94 2nlzA1 GLN 444 H 0.06 0.24 -0.60 -0.55 8.47 7.62 2nlzA1 GLN 444 HA 0.01 0.23 0.02 -0.75 4.36 3.87 2nlzA1 GLN 444 HB2 -0.12 0.17 0.09 -0.04 2.15 2.25 2nlzA1 GLN 444 HB3 -0.20 -0.09 -0.02 -0.04 2.02 1.66 2nlzA1 GLN 444 HG2 -0.03 0.19 -0.19 -0.04 2.40 2.33 2nlzA1 GLN 444 HG3 -0.05 0.08 -0.14 -0.04 2.39 2.25 2nlzA1 GLN 444 HE21 -0.03 -0.07 -0.08 -0.04 6.97 6.74 2nlzA1 GLN 444 HE22 -0.05 -0.31 0.03 -0.04 7.69 7.33 2nlzA1 PRO 445 HA -0.17 0.01 0.45 -0.51 4.44 4.22 2nlzA1 PRO 445 HB2 -0.12 0.10 -0.15 -0.04 2.28 2.07 2nlzA1 PRO 445 HB3 -0.19 -0.16 -0.07 -0.04 2.02 1.56 2nlzA1 PRO 445 HG2 -0.52 0.11 -0.11 -0.04 2.03 1.46 2nlzA1 PRO 445 HG3 -0.26 0.04 -0.18 -0.04 2.03 1.59 2nlzA1 PRO 445 HD2 0.25 0.26 -0.28 -0.04 3.68 3.87 2nlzA1 PRO 445 HD3 -0.05 0.16 0.03 -0.04 3.65 3.75 2nlzA1 GLN 446 H 0.20 0.30 -0.30 -0.55 8.47 8.11 2nlzA1 GLN 446 HA 0.09 -0.01 0.39 -0.75 4.36 4.07 2nlzA1 GLN 446 HB2 -0.03 0.14 0.12 -0.04 2.15 2.33 2nlzA1 GLN 446 HB3 -0.17 -0.06 0.06 -0.04 2.02 1.81 2nlzA1 GLN 446 HG2 0.54 -0.07 -0.01 -0.04 2.40 2.82 2nlzA1 GLN 446 HG3 0.45 0.16 0.07 -0.04 2.39 3.03 2nlzA1 GLN 446 HE21 0.24 0.44 0.10 -0.04 6.97 7.71 2nlzA1 GLN 446 HE22 0.32 0.31 0.09 -0.04 7.69 8.37 2nlzA1 GLY 447 H 0.00 0.73 -0.09 -0.55 8.43 8.52 2nlzA1 GLY 447 HA2 -0.11 0.05 0.48 -0.51 4.01 3.92 2nlzA1 GLY 447 HA3 0.01 0.10 0.19 -0.51 4.01 3.80 2nlzA1 HIS 448 H 0.21 0.59 -0.21 -0.55 8.41 8.46 2nlzA1 HIS 448 HA 0.13 -0.04 0.37 -0.75 4.63 4.33 2nlzA1 HIS 448 HB2 0.04 0.14 0.20 -0.04 3.26 3.61 2nlzA1 HIS 448 HB3 0.14 -0.05 -0.08 -0.04 3.20 3.16 2nlzA1 HIS 448 HD2 -0.00 0.05 -0.03 -0.04 6.97 6.94 2nlzA1 HIS 448 HE1 -0.24 -0.02 -0.40 -0.04 7.75 7.05 2nlzA1 MET 449 H 0.08 0.67 -0.09 -0.55 8.47 8.58 2nlzA1 MET 449 HA -0.05 -0.01 0.34 -0.75 4.52 4.05 2nlzA1 MET 449 HB2 0.09 0.04 0.08 -0.04 2.15 2.32 2nlzA1 MET 449 HB3 0.11 0.12 0.05 -0.04 2.03 2.28 2nlzA1 MET 449 HG2 0.04 -0.06 -0.13 -0.04 2.63 2.45 2nlzA1 MET 449 HG3 -0.01 -0.02 -0.04 -0.04 2.56 2.44 2nlzA1 MET 449 HE3 0.56 0.04 -0.13 -0.04 2.10 2.52 2nlzA1 GLN 450 H -0.07 0.46 -0.33 -0.55 8.47 7.99 2nlzA1 GLN 450 HA 0.04 -0.02 0.29 -0.75 4.36 3.91 2nlzA1 GLN 450 HB2 -0.17 0.10 0.16 -0.04 2.15 2.20 2nlzA1 GLN 450 HB3 -0.07 0.00 0.00 -0.04 2.02 1.92 2nlzA1 GLN 450 HG2 0.09 -0.09 -0.01 -0.04 2.40 2.35 2nlzA1 GLN 450 HG3 -0.34 0.11 0.04 -0.04 2.39 2.15 2nlzA1 GLN 450 HE21 -1.33 0.54 0.08 -0.04 6.97 6.22 2nlzA1 GLN 450 HE22 -1.37 0.07 -0.17 -0.04 7.69 6.17 2nlzA1 VAL 451 H -0.08 0.66 -0.08 -0.55 8.24 8.19 2nlzA1 VAL 451 HA -0.06 0.07 0.34 -0.75 4.13 3.71 2nlzA1 VAL 451 HB -0.11 -0.08 -0.08 -0.04 2.12 1.82 2nlzA1 VAL 451 HG13 -0.07 0.09 -0.11 -0.04 0.97 0.84 2nlzA1 VAL 451 HG23 -0.29 0.01 -0.14 -0.04 0.95 0.49 2nlzA1 MET 452 H -0.21 0.57 -0.34 -0.55 8.47 7.95 2nlzA1 MET 452 HA -0.34 -0.00 0.38 -0.75 4.52 3.80 2nlzA1 MET 452 HB2 -0.27 0.18 0.09 -0.04 2.15 2.11 2nlzA1 MET 452 HB3 -0.38 -0.06 -0.06 -0.04 2.03 1.49 2nlzA1 MET 452 HG2 -0.52 0.09 -0.05 -0.04 2.63 2.11 2nlzA1 MET 452 HG3 -0.18 -0.04 -0.09 -0.04 2.56 2.22 2nlzA1 MET 452 HE3 -0.84 0.01 -0.23 -0.04 2.10 1.00 2nlzA1 MET 453 H -0.18 0.62 -0.15 -0.55 8.47 8.21 2nlzA1 MET 453 HA -0.31 -0.03 0.52 -0.75 4.52 3.95 2nlzA1 MET 453 HB2 -0.06 0.16 0.11 -0.04 2.15 2.32 2nlzA1 MET 453 HB3 -0.25 -0.07 -0.06 -0.04 2.03 1.61 2nlzA1 MET 453 HG2 -0.27 -0.06 -0.05 -0.04 2.63 2.21 2nlzA1 MET 453 HG3 -0.21 0.16 0.00 -0.04 2.56 2.47 2nlzA1 MET 453 HE3 0.03 -0.00 -0.10 -0.04 2.10 1.98 2nlzA1 ASN 454 H -0.04 0.76 -0.09 -0.55 8.53 8.62 2nlzA1 ASN 454 HA 0.27 -0.04 0.33 -0.75 4.76 4.56 2nlzA1 ASN 454 HB2 -0.01 0.11 0.10 -0.04 2.88 3.04 2nlzA1 ASN 454 HB3 0.04 -0.12 -0.06 -0.04 2.79 2.61 2nlzA1 ASN 454 HD21 0.02 -0.00 -0.12 -0.04 7.03 6.89 2nlzA1 ASN 454 HD22 0.00 0.12 -0.00 -0.04 7.74 7.82 2nlzA1 THR 455 H -0.12 0.44 -0.48 -0.55 8.28 7.57 2nlzA1 THR 455 HA -0.04 0.13 0.42 -0.75 4.39 4.15 2nlzA1 THR 455 HB -0.27 0.01 0.09 -0.04 4.32 4.11 2nlzA1 THR 455 HG23 -0.41 -0.00 -0.17 -0.04 1.22 0.60 2nlzA1 ILE 456 H -0.29 0.70 0.09 -0.55 8.25 8.20 2nlzA1 ILE 456 HA -0.41 0.06 0.37 -0.75 4.18 3.44 2nlzA1 ILE 456 HB -0.10 0.08 0.14 -0.04 1.89 1.97 2nlzA1 ILE 456 HG12 -1.26 -0.03 0.00 -0.04 1.49 0.16 2nlzA1 ILE 456 HG13 -0.64 -0.08 0.00 -0.04 1.21 0.45 2nlzA1 ILE 456 HG23 -0.04 0.02 -0.11 -0.04 0.93 0.76 2nlzA1 ILE 456 HD13 -0.17 0.01 -0.02 -0.04 0.88 0.66 2nlzA1 ASP 457 H -0.37 0.31 0.05 -0.55 8.40 7.85 2nlzA1 ASP 457 HA -0.25 0.08 0.48 -0.75 4.63 4.18 2nlzA1 ASP 457 HB2 -1.57 0.21 0.09 -0.04 2.71 1.41 2nlzA1 ASP 457 HB3 -1.18 -0.13 -0.09 -0.04 2.70 1.27 2nlzA1 PHE 458 H -0.27 0.24 -0.34 -0.55 8.34 7.42 2nlzA1 PHE 458 HA -0.04 0.20 0.76 -0.75 4.62 4.79 2nlzA1 PHE 458 HB2 -0.10 0.11 0.04 -0.04 3.15 3.16 2nlzA1 PHE 458 HB3 -0.13 -0.13 0.08 -0.04 3.06 2.84 2nlzA1 PHE 458 HD2 -0.10 0.10 -0.37 -0.04 7.28 6.86 2nlzA1 PHE 458 HE2 -0.14 -0.04 -0.34 -0.04 7.38 6.82 2nlzA1 PHE 458 HZ -0.53 0.03 -0.19 -0.04 7.32 6.59 2nlzA1 GLY 459 H -0.04 0.21 -0.27 -0.55 8.43 7.78 2nlzA1 GLY 459 HA2 -0.01 0.16 0.29 -0.51 4.01 3.94 2nlzA1 GLY 459 HA3 0.04 -0.05 0.16 -0.51 4.01 3.65 2nlzA1 LEU 460 H 0.05 0.57 -0.11 -0.55 8.37 8.33 2nlzA1 LEU 460 HA 0.05 -0.01 0.53 -0.75 4.35 4.16 2nlzA1 LEU 460 HB2 0.05 0.14 -0.12 -0.04 1.64 1.67 2nlzA1 LEU 460 HB3 0.04 -0.06 -0.23 -0.04 1.64 1.35 2nlzA1 LEU 460 HG 0.02 -0.10 -0.18 -0.04 1.64 1.35 2nlzA1 LEU 460 HD13 0.03 0.03 -0.10 -0.04 0.93 0.86 2nlzA1 LEU 460 HD23 0.04 0.01 -0.09 -0.04 0.89 0.81 2nlzA1 ASN 461 H 0.06 0.04 0.14 -0.55 8.53 8.23 2nlzA1 ASN 461 HA 0.13 0.24 0.58 -0.75 4.76 4.95 2nlzA1 ASN 461 HB2 0.07 0.05 0.11 -0.04 2.88 3.07 2nlzA1 ASN 461 HB3 0.07 0.09 0.13 -0.04 2.79 3.04 2nlzA1 ASN 461 HD21 0.04 0.00 0.07 -0.04 7.03 7.09 2nlzA1 ASN 461 HD22 0.06 0.11 0.08 -0.04 7.74 7.95 2nlzA1 PRO 462 HA -0.13 0.14 0.22 -0.51 4.44 4.15 2nlzA1 PRO 462 HB2 -0.25 -0.02 -0.34 -0.04 2.28 1.64 2nlzA1 PRO 462 HB3 -0.60 0.08 -0.08 -0.04 2.02 1.39 2nlzA1 PRO 462 HG2 -0.12 -0.04 -0.21 -0.04 2.03 1.62 2nlzA1 PRO 462 HG3 -0.16 0.22 -0.22 -0.04 2.03 1.83 2nlzA1 PRO 462 HD2 0.07 0.06 0.15 -0.04 3.68 3.92 2nlzA1 PRO 462 HD3 0.30 0.23 0.07 -0.04 3.65 4.21 2nlzA1 GLN 463 H -0.05 0.10 -0.26 -0.55 8.47 7.71 2nlzA1 GLN 463 HA -0.06 0.11 0.54 -0.75 4.36 4.19 2nlzA1 GLN 463 HB2 -0.04 0.03 0.06 -0.04 2.15 2.16 2nlzA1 GLN 463 HB3 -0.01 -0.07 0.05 -0.04 2.02 1.95 2nlzA1 GLN 463 HG2 -0.01 0.17 -0.13 -0.04 2.40 2.39 2nlzA1 GLN 463 HG3 -0.01 -0.01 -0.15 -0.04 2.39 2.18 2nlzA1 GLN 463 HE21 -0.03 0.61 0.13 -0.04 6.97 7.64 2nlzA1 GLN 463 HE22 -0.02 -0.08 -0.00 -0.04 7.69 7.54 2nlzA1 ALA 464 H 0.00 0.04 -0.10 -0.55 8.40 7.79 2nlzA1 ALA 464 HA 0.00 0.05 0.47 -0.75 4.34 4.11 2nlzA1 ALA 464 HB3 0.02 0.02 0.07 -0.04 1.41 1.48 2nlzA1 ALA 465 H 0.01 0.68 -0.38 -0.55 8.40 8.16 2nlzA1 ALA 465 HA 0.01 0.02 0.30 -0.75 4.34 3.91 2nlzA1 ALA 465 HB3 0.01 0.03 -0.17 -0.04 1.41 1.24 2nlzA1 LEU 466 H -0.04 0.25 -0.48 -0.55 8.37 7.55 2nlzA1 LEU 466 HA -0.04 0.07 0.48 -0.75 4.35 4.11 2nlzA1 LEU 466 HB2 -0.06 0.09 0.10 -0.04 1.64 1.73 2nlzA1 LEU 466 HB3 -0.04 -0.00 -0.15 -0.04 1.64 1.42 2nlzA1 LEU 466 HG -0.04 -0.09 -0.22 -0.04 1.64 1.25 2nlzA1 LEU 466 HD13 -0.07 -0.01 -0.22 -0.04 0.93 0.60 2nlzA1 LEU 466 HD23 -0.09 -0.02 -0.60 -0.04 0.89 0.15 2nlzA1 ASP 467 H -0.02 0.34 -0.08 -0.55 8.40 8.09 2nlzA1 ASP 467 HA -0.02 -0.02 0.40 -0.75 4.63 4.24 2nlzA1 ASP 467 HB2 -0.01 0.02 0.15 -0.04 2.71 2.83 2nlzA1 ASP 467 HB3 -0.01 -0.06 -0.01 -0.04 2.70 2.58 2nlzA1 ALA 468 H -0.01 0.35 -0.33 -0.55 8.40 7.87 2nlzA1 ALA 468 HA -0.00 -0.06 0.24 -0.75 4.34 3.76 2nlzA1 ALA 468 HB3 0.01 0.03 -0.01 -0.04 1.41 1.40 2nlzA1 PRO 469 HA -0.03 0.04 0.46 -0.51 4.44 4.40 2nlzA1 PRO 469 HB2 0.04 -0.06 -0.16 -0.04 2.28 2.06 2nlzA1 PRO 469 HB3 -0.02 -0.03 -0.28 -0.04 2.02 1.65 2nlzA1 PRO 469 HG2 -0.05 -0.03 0.05 -0.04 2.03 1.96 2nlzA1 PRO 469 HG3 -0.07 0.12 0.05 -0.04 2.03 2.08 2nlzA1 PRO 469 HD2 -0.00 0.02 0.17 -0.04 3.68 3.82 2nlzA1 PRO 469 HD3 -0.02 0.14 0.10 -0.04 3.65 3.83 2nlzA1 ARG 470 H -0.13 0.04 0.19 -0.55 8.46 8.00 2nlzA1 ARG 470 HA 0.03 0.22 0.96 -0.75 4.34 4.79 2nlzA1 ARG 470 HB2 -0.11 -0.10 0.06 -0.04 1.90 1.71 2nlzA1 ARG 470 HB3 -0.02 0.12 0.01 -0.04 1.80 1.86 2nlzA1 ARG 470 HG2 -0.08 -0.03 -0.09 -0.04 1.67 1.43 2nlzA1 ARG 470 HG3 -0.03 0.22 -0.29 -0.04 1.67 1.52 2nlzA1 ARG 470 HD2 0.04 -0.11 -0.02 -0.04 3.22 3.09 2nlzA1 ARG 470 HD3 0.02 0.07 -0.00 -0.04 3.22 3.27 2nlzA1 TRP 471 H -0.43 0.20 0.17 -0.55 7.97 7.37 2nlzA1 TRP 471 HA 0.10 0.24 0.94 -0.75 4.62 5.15 2nlzA1 TRP 471 HB2 0.01 0.02 0.02 -0.04 3.23 3.24 2nlzA1 TRP 471 HB3 -0.11 -0.05 -0.01 -0.04 3.23 3.01 2nlzA1 TRP 471 HD1 0.56 0.01 -0.07 -0.04 7.22 7.68 2nlzA1 TRP 471 HE1 0.27 0.01 -0.04 -0.04 10.20 10.39 2nlzA1 TRP 471 HE3 0.18 -0.03 -0.41 -0.04 7.59 7.28 2nlzA1 TRP 471 HZ2 0.10 -0.01 -0.14 -0.04 7.44 7.35 2nlzA1 TRP 471 HZ3 0.22 -0.05 -0.07 -0.04 7.13 7.19 2nlzA1 TRP 471 HH2 0.13 0.03 -0.15 -0.04 7.19 7.16 2nlzA1 GLN 472 H 0.47 0.68 0.24 -0.55 8.47 9.31 2nlzA1 GLN 472 HA 0.44 0.02 0.27 -0.75 4.36 4.34 2nlzA1 GLN 472 HB2 0.10 0.04 0.08 -0.04 2.15 2.34 2nlzA1 GLN 472 HB3 0.09 0.12 -0.02 -0.04 2.02 2.17 2nlzA1 GLN 472 HG2 -0.15 -0.03 -0.10 -0.04 2.40 2.07 2nlzA1 GLN 472 HG3 -0.03 -0.08 -0.15 -0.04 2.39 2.08 2nlzA1 GLN 472 HE21 -0.34 0.14 0.10 -0.04 6.97 6.83 2nlzA1 GLN 472 HE22 -0.94 -0.09 -0.06 -0.04 7.69 6.56 2nlzA1 TRP 473 H 0.70 0.14 0.07 -0.55 7.97 8.34 2nlzA1 TRP 473 HA 0.11 0.12 0.84 -0.75 4.62 4.93 2nlzA1 TRP 473 HB2 0.15 -0.01 -0.01 -0.04 3.23 3.32 2nlzA1 TRP 473 HB3 0.22 -0.02 0.05 -0.04 3.23 3.43 2nlzA1 TRP 473 HD1 0.04 -0.02 -0.32 -0.04 7.22 6.88 2nlzA1 TRP 473 HE1 -0.01 0.14 -0.38 -0.04 10.20 9.91 2nlzA1 TRP 473 HE3 -0.21 -0.08 -0.14 -0.04 7.59 7.12 2nlzA1 TRP 473 HZ2 -0.05 0.17 -0.04 -0.04 7.44 7.47 2nlzA1 TRP 473 HZ3 -0.91 -0.06 -0.08 -0.04 7.13 6.03 2nlzA1 TRP 473 HH2 -0.14 -0.04 -0.08 -0.04 7.19 6.89 2nlzA1 THR 474 H -0.62 0.47 0.19 -0.55 8.28 7.78 2nlzA1 THR 474 HA -0.80 0.25 1.00 -0.75 4.39 4.09 2nlzA1 THR 474 HB -0.38 0.01 -0.04 -0.04 4.32 3.87 2nlzA1 THR 474 HG23 -0.21 0.01 -0.19 -0.04 1.22 0.79 2nlzA1 ASN 475 H -0.55 -0.02 0.14 -0.55 8.53 7.55 2nlzA1 ASN 475 HA -0.45 0.28 0.75 -0.75 4.76 4.59 2nlzA1 ASN 475 HB2 -0.16 -0.17 0.24 -0.04 2.88 2.74 2nlzA1 ASN 475 HB3 -0.11 0.05 0.06 -0.04 2.79 2.74 2nlzA1 ASN 475 HD21 -0.12 0.03 -0.02 -0.04 7.03 6.88 2nlzA1 ASN 475 HD22 -0.10 -0.04 0.03 -0.04 7.74 7.58 2nlzA1 GLY 476 H 0.01 -0.23 0.18 -0.55 8.43 7.84 2nlzA1 GLY 476 HA2 0.35 0.35 0.96 -0.51 4.01 5.15 2nlzA1 GLY 476 HA3 0.13 -0.01 0.36 -0.51 4.01 3.98 2nlzA1 LYS 477 H 0.10 0.10 0.20 -0.55 8.42 8.26 2nlzA1 LYS 477 HA 0.18 0.35 0.80 -0.75 4.32 4.90 2nlzA1 LYS 477 HB2 0.05 -0.06 0.13 -0.04 1.87 1.94 2nlzA1 LYS 477 HB3 0.04 0.02 0.20 -0.04 1.79 2.01 2nlzA1 LYS 477 HG2 0.02 0.25 -0.19 -0.04 1.46 1.50 2nlzA1 LYS 477 HG3 0.05 -0.13 -0.10 -0.04 1.46 1.24 2nlzA1 LYS 477 HD2 0.01 -0.10 0.02 -0.04 1.69 1.57 2nlzA1 LYS 477 HD3 -0.03 0.18 0.02 -0.04 1.68 1.81 2nlzA1 LYS 477 HE2 -0.02 0.22 -0.16 -0.04 2.99 3.00 2nlzA1 LYS 477 HE3 0.01 -0.11 -0.06 -0.04 2.99 2.78 2nlzA1 GLN 478 H 0.09 -0.26 -0.01 -0.55 8.47 7.73 2nlzA1 GLN 478 HA 0.04 0.32 0.54 -0.75 4.36 4.51 2nlzA1 GLN 478 HB2 -0.13 -0.35 0.28 -0.04 2.15 1.90 2nlzA1 GLN 478 HB3 -0.11 0.08 0.03 -0.04 2.02 1.99 2nlzA1 GLN 478 HG2 -0.02 -0.05 0.08 -0.04 2.40 2.38 2nlzA1 GLN 478 HG3 -0.07 0.02 0.08 -0.04 2.39 2.37 2nlzA1 GLN 478 HE21 -0.01 0.04 -0.06 -0.04 6.97 6.90 2nlzA1 GLN 478 HE22 -0.01 -0.05 -0.00 -0.04 7.69 7.59 2nlzA1 VAL 479 H 0.07 0.56 0.18 -0.55 8.24 8.49 2nlzA1 VAL 479 HA 0.15 0.17 0.89 -0.75 4.13 4.58 2nlzA1 VAL 479 HB 0.02 -0.06 -0.06 -0.04 2.12 1.98 2nlzA1 VAL 479 HG13 0.11 -0.00 -0.32 -0.04 0.97 0.72 2nlzA1 VAL 479 HG23 0.19 0.03 -0.29 -0.04 0.95 0.83 2nlzA1 GLN 480 H 0.10 0.69 0.28 -0.55 8.47 9.00 2nlzA1 GLN 480 HA 0.07 0.20 0.97 -0.75 4.36 4.85 2nlzA1 GLN 480 HB2 0.03 0.02 0.10 -0.04 2.15 2.26 2nlzA1 GLN 480 HB3 0.14 0.03 0.07 -0.04 2.02 2.22 2nlzA1 GLN 480 HG2 -0.02 -0.01 -0.04 -0.04 2.40 2.30 2nlzA1 GLN 480 HG3 -0.05 -0.03 -0.04 -0.04 2.39 2.23 2nlzA1 GLN 480 HE21 -0.26 0.00 -0.05 -0.04 6.97 6.62 2nlzA1 GLN 480 HE22 -0.27 0.04 -0.06 -0.04 7.69 7.36 2nlzA1 VAL 481 H 0.08 0.61 0.33 -0.55 8.24 8.72 2nlzA1 VAL 481 HA 0.04 0.27 0.96 -0.75 4.13 4.64 2nlzA1 VAL 481 HB -0.51 -0.01 0.09 -0.04 2.12 1.65 2nlzA1 VAL 481 HG13 -0.72 -0.01 -0.24 -0.04 0.97 -0.05 2nlzA1 VAL 481 HG23 -0.20 -0.00 -0.25 -0.04 0.95 0.46 2nlzA1 GLU 482 H -0.28 0.36 0.25 -0.55 8.60 8.39 2nlzA1 GLU 482 HA -0.40 0.28 0.63 -0.75 4.29 4.04 2nlzA1 GLU 482 HB2 -0.25 -0.05 0.21 -0.04 2.09 1.97 2nlzA1 GLU 482 HB3 -0.21 -0.10 0.10 -0.04 1.99 1.73 2nlzA1 GLU 482 HG2 -0.92 0.08 0.06 -0.04 2.34 1.52 2nlzA1 GLU 482 HG3 -1.54 0.11 0.07 -0.04 2.34 0.93 2nlzA1 PRO 483 HA 0.01 0.05 0.38 -0.51 4.44 4.37 2nlzA1 PRO 483 HB2 -0.01 0.03 -0.02 -0.04 2.28 2.24 2nlzA1 PRO 483 HB3 0.01 0.01 0.07 -0.04 2.02 2.07 2nlzA1 PRO 483 HG2 0.01 0.07 0.08 -0.04 2.03 2.15 2nlzA1 PRO 483 HG3 0.02 0.00 -0.02 -0.04 2.03 1.99 2nlzA1 PRO 483 HD2 -0.07 0.06 0.22 -0.04 3.68 3.85 2nlzA1 PRO 483 HD3 -0.02 0.50 0.31 -0.04 3.65 4.40 2nlzA1 THR 484 H -0.03 -0.01 -0.58 -0.55 8.28 7.11 2nlzA1 THR 484 HA 0.00 0.16 0.57 -0.75 4.39 4.36 2nlzA1 THR 484 HB -0.02 0.01 -0.05 -0.04 4.32 4.22 2nlzA1 THR 484 HG23 -0.05 -0.00 -0.06 -0.04 1.22 1.07 2nlzA1 PHE 485 H 0.10 0.39 -0.26 -0.55 8.34 8.01 2nlzA1 PHE 485 HA -0.08 0.09 0.54 -0.75 4.62 4.42 2nlzA1 PHE 485 HB2 -0.11 -0.10 0.09 -0.04 3.15 2.99 2nlzA1 PHE 485 HB3 -0.08 0.02 -0.04 -0.04 3.06 2.92 2nlzA1 PHE 485 HD2 -0.09 0.02 -0.35 -0.04 7.28 6.81 2nlzA1 PHE 485 HE2 -0.26 -0.05 -0.22 -0.04 7.38 6.81 2nlzA1 PHE 485 HZ -1.00 -0.02 -0.13 -0.04 7.32 6.13 2nlzA1 PRO 486 HA -0.05 0.05 0.35 -0.51 4.44 4.27 2nlzA1 PRO 486 HB2 -0.12 -0.21 -0.01 -0.04 2.28 1.90 2nlzA1 PRO 486 HB3 -0.11 0.10 0.10 -0.04 2.02 2.06 2nlzA1 PRO 486 HG2 -0.76 -0.04 0.03 -0.04 2.03 1.22 2nlzA1 PRO 486 HG3 -0.30 0.09 0.05 -0.04 2.03 1.83 2nlzA1 PRO 486 HD2 -1.36 0.09 0.16 -0.04 3.68 2.53 2nlzA1 PRO 486 HD3 -0.33 0.27 0.22 -0.04 3.65 3.77 2nlzA1 VAL 487 H 0.01 0.18 0.18 -0.55 8.24 8.06 2nlzA1 VAL 487 HA 0.08 0.15 0.25 -0.75 4.13 3.86 2nlzA1 VAL 487 HB 0.02 -0.05 0.14 -0.04 2.12 2.19 2nlzA1 VAL 487 HG13 0.03 0.00 -0.07 -0.04 0.97 0.89 2nlzA1 VAL 487 HG23 0.03 0.05 0.05 -0.04 0.95 1.04 2nlzA1 ASP 488 H 0.01 0.12 -0.04 -0.55 8.40 7.94 2nlzA1 ASP 488 HA 0.02 0.10 0.40 -0.75 4.63 4.40 2nlzA1 ASP 488 HB2 0.01 0.04 0.09 -0.04 2.71 2.81 2nlzA1 ASP 488 HB3 0.01 -0.01 0.05 -0.04 2.70 2.71 2nlzA1 ILE 489 H 0.01 0.13 -0.34 -0.55 8.25 7.50 2nlzA1 ILE 489 HA 0.05 0.02 0.40 -0.75 4.18 3.91 2nlzA1 ILE 489 HB -0.08 0.16 -0.03 -0.04 1.89 1.90 2nlzA1 ILE 489 HG12 0.07 -0.11 -0.20 -0.04 1.49 1.20 2nlzA1 ILE 489 HG13 0.01 -0.09 -0.09 -0.04 1.21 1.00 2nlzA1 ILE 489 HG23 0.11 0.01 -0.24 -0.04 0.93 0.77 2nlzA1 ILE 489 HD13 0.04 0.09 -0.23 -0.04 0.88 0.74 2nlzA1 ALA 490 H 0.16 0.49 -0.21 -0.55 8.40 8.29 2nlzA1 ALA 490 HA 0.07 0.06 0.35 -0.75 4.34 4.06 2nlzA1 ALA 490 HB3 0.11 0.05 -0.03 -0.04 1.41 1.49 2nlzA1 GLN 491 H 0.05 0.57 -0.15 -0.55 8.47 8.39 2nlzA1 GLN 491 HA 0.02 0.00 0.46 -0.75 4.36 4.09 2nlzA1 GLN 491 HB2 0.03 0.10 0.14 -0.04 2.15 2.37 2nlzA1 GLN 491 HB3 0.02 0.00 0.02 -0.04 2.02 2.02 2nlzA1 GLN 491 HG2 0.02 0.00 0.02 -0.04 2.40 2.40 2nlzA1 GLN 491 HG3 0.03 0.13 0.04 -0.04 2.39 2.55 2nlzA1 GLN 491 HE21 0.01 -0.03 -0.04 -0.04 6.97 6.87 2nlzA1 GLN 491 HE22 0.02 0.01 -0.04 -0.04 7.69 7.64 2nlzA1 ALA 492 H 0.04 0.40 -0.27 -0.55 8.40 8.02 2nlzA1 ALA 492 HA 0.02 0.05 0.55 -0.75 4.34 4.21 2nlzA1 ALA 492 HB3 0.03 0.02 0.10 -0.04 1.41 1.52 2nlzA1 LEU 493 H 0.05 0.50 -0.16 -0.55 8.37 8.21 2nlzA1 LEU 493 HA 0.12 0.07 0.51 -0.75 4.35 4.29 2nlzA1 LEU 493 HB2 -0.01 0.16 0.14 -0.04 1.64 1.90 2nlzA1 LEU 493 HB3 -0.05 -0.03 -0.05 -0.04 1.64 1.47 2nlzA1 LEU 493 HG 0.05 0.05 0.00 -0.04 1.64 1.70 2nlzA1 LEU 493 HD13 -0.11 -0.02 -0.14 -0.04 0.93 0.62 2nlzA1 LEU 493 HD23 -0.07 0.00 -0.08 -0.04 0.89 0.70 2nlzA1 VAL 494 H 0.05 0.27 -0.27 -0.55 8.24 7.74 2nlzA1 VAL 494 HA 0.07 0.33 0.56 -0.75 4.13 4.34 2nlzA1 VAL 494 HB 0.03 0.09 0.19 -0.04 2.12 2.38 2nlzA1 VAL 494 HG13 0.02 -0.00 -0.03 -0.04 0.97 0.92 2nlzA1 VAL 494 HG23 0.02 0.06 0.12 -0.04 0.95 1.11 2nlzA1 ARG 495 H 0.03 0.35 -0.16 -0.55 8.46 8.13 2nlzA1 ARG 495 HA 0.01 0.03 0.44 -0.75 4.34 4.07 2nlzA1 ARG 495 HB2 0.01 0.09 0.17 -0.04 1.90 2.13 2nlzA1 ARG 495 HB3 -0.00 -0.03 0.07 -0.04 1.80 1.79 2nlzA1 ARG 495 HG2 0.01 -0.03 0.07 -0.04 1.67 1.67 2nlzA1 ARG 495 HG3 0.01 0.08 0.09 -0.04 1.67 1.80 2nlzA1 ARG 495 HD2 0.00 -0.00 0.03 -0.04 3.22 3.21 2nlzA1 ARG 495 HD3 0.00 -0.04 0.02 -0.04 3.22 3.16 2nlzA1 ARG 496 H 0.04 0.23 -0.67 -0.55 8.46 7.51 2nlzA1 ARG 496 HA -0.04 0.11 0.79 -0.75 4.34 4.44 2nlzA1 ARG 496 HB2 0.07 0.04 0.15 -0.04 1.90 2.12 2nlzA1 ARG 496 HB3 -0.12 0.10 0.26 -0.04 1.80 2.00 2nlzA1 ARG 496 HG2 -0.10 -0.01 0.02 -0.04 1.67 1.54 2nlzA1 ARG 496 HG3 -0.03 0.02 -0.06 -0.04 1.67 1.56 2nlzA1 ARG 496 HD2 -0.08 -0.13 -0.06 -0.04 3.22 2.90 2nlzA1 ARG 496 HD3 -0.08 -0.03 -0.04 -0.04 3.22 3.02 2nlzA1 GLY 497 H 0.00 0.52 -0.33 -0.55 8.43 8.08 2nlzA1 GLY 497 HA2 -0.03 -0.00 0.29 -0.51 4.01 3.76 2nlzA1 GLY 497 HA3 -0.09 0.04 0.72 -0.51 4.01 4.17 2nlzA1 HIS 498 H 0.05 0.37 -0.06 -0.55 8.41 8.23 2nlzA1 HIS 498 HA 0.04 0.11 0.47 -0.75 4.63 4.50 2nlzA1 HIS 498 HB2 0.01 -0.06 -0.18 -0.04 3.26 2.99 2nlzA1 HIS 498 HB3 0.01 -0.01 -0.15 -0.04 3.20 3.01 2nlzA1 HIS 498 HD2 0.08 0.10 0.03 -0.04 6.97 7.13 2nlzA1 HIS 498 HE1 -0.07 0.01 -0.08 -0.04 7.75 7.56 2nlzA1 LYS 499 H 0.10 0.43 0.15 -0.55 8.42 8.54 2nlzA1 LYS 499 HA 0.04 0.12 0.68 -0.75 4.32 4.41 2nlzA1 LYS 499 HB2 0.04 -0.13 -0.05 -0.04 1.87 1.69 2nlzA1 LYS 499 HB3 0.02 -0.01 0.04 -0.04 1.79 1.81 2nlzA1 LYS 499 HG2 0.03 0.16 -0.00 -0.04 1.46 1.61 2nlzA1 LYS 499 HG3 0.02 -0.12 -0.01 -0.04 1.46 1.31 2nlzA1 LYS 499 HD2 0.01 -0.05 -0.01 -0.04 1.69 1.60 2nlzA1 LYS 499 HD3 0.02 0.06 -0.02 -0.04 1.68 1.69 2nlzA1 LYS 499 HE2 0.01 -0.05 -0.00 -0.04 2.99 2.91 2nlzA1 LYS 499 HE3 0.01 -0.03 -0.01 -0.04 2.99 2.91 2nlzA1 ILE 500 H 0.04 0.35 -0.06 -0.55 8.25 8.03 2nlzA1 ILE 500 HA -0.01 0.26 0.56 -0.75 4.18 4.24 2nlzA1 ILE 500 HB -0.02 -0.03 0.04 -0.04 1.89 1.84 2nlzA1 ILE 500 HG12 0.04 0.04 -0.23 -0.04 1.49 1.30 2nlzA1 ILE 500 HG13 -0.04 0.08 -0.03 -0.04 1.21 1.17 2nlzA1 ILE 500 HG23 -0.13 -0.03 -0.20 -0.04 0.93 0.52 2nlzA1 ILE 500 HD13 -0.19 0.00 -0.15 -0.04 0.88 0.50 2nlzA1 GLN 501 H -0.01 0.59 0.34 -0.55 8.47 8.85 2nlzA1 GLN 501 HA 0.00 0.10 0.69 -0.75 4.36 4.39 2nlzA1 GLN 501 HB2 -0.00 0.04 -0.08 -0.04 2.15 2.07 2nlzA1 GLN 501 HB3 0.01 -0.04 0.07 -0.04 2.02 2.02 2nlzA1 GLN 501 HG2 0.02 0.15 -0.35 -0.04 2.40 2.18 2nlzA1 GLN 501 HG3 0.00 -0.01 0.01 -0.04 2.39 2.35 2nlzA1 GLN 501 HE21 -0.01 -0.03 -0.03 -0.04 6.97 6.85 2nlzA1 GLN 501 HE22 0.00 0.02 -0.02 -0.04 7.69 7.65 2nlzA1 VAL 502 H 0.01 0.14 0.04 -0.55 8.24 7.87 2nlzA1 VAL 502 HA 0.02 0.20 0.60 -0.75 4.13 4.20 2nlzA1 VAL 502 HB 0.02 -0.05 0.09 -0.04 2.12 2.14 2nlzA1 VAL 502 HG13 0.02 0.01 -0.30 -0.04 0.97 0.67 2nlzA1 VAL 502 HG23 0.00 0.01 -0.08 -0.04 0.95 0.84 2nlzA1 VAL 503 H 0.15 0.80 0.35 -0.55 8.24 8.98 2nlzA1 VAL 503 HA 0.08 0.09 0.91 -0.75 4.13 4.45 2nlzA1 VAL 503 HB 0.43 0.08 0.08 -0.04 2.12 2.67 2nlzA1 VAL 503 HG13 0.07 -0.01 -0.13 -0.04 0.97 0.86 2nlzA1 VAL 503 HG23 0.05 0.04 -0.09 -0.04 0.95 0.91 2nlzA1 LEU 504 H 0.06 0.13 0.15 -0.55 8.37 8.17 2nlzA1 LEU 504 HA 0.06 0.13 0.42 -0.75 4.35 4.21 2nlzA1 LEU 504 HB2 0.03 0.02 0.09 -0.04 1.64 1.74 2nlzA1 LEU 504 HB3 0.03 -0.00 -0.02 -0.04 1.64 1.61 2nlzA1 LEU 504 HG 0.02 -0.00 0.03 -0.04 1.64 1.65 2nlzA1 LEU 504 HD13 0.02 0.01 -0.01 -0.04 0.93 0.92 2nlzA1 LEU 504 HD23 0.01 0.00 -0.00 -0.04 0.89 0.86 2nlzA1 ASP 505 H 0.07 -0.02 -0.10 -0.55 8.40 7.81 2nlzA1 ASP 505 HA 0.04 -0.00 0.39 -0.75 4.63 4.31 2nlzA1 ASP 505 HB2 0.04 -0.03 0.02 -0.04 2.71 2.70 2nlzA1 ASP 505 HB3 0.05 0.09 -0.14 -0.04 2.70 2.65 2nlzA1 GLU 506 H 0.05 0.10 0.23 -0.55 8.60 8.43 2nlzA1 GLU 506 HA 0.10 0.10 0.70 -0.75 4.29 4.43 2nlzA1 GLU 506 HB2 0.05 -0.04 0.18 -0.04 2.09 2.23 2nlzA1 GLU 506 HB3 0.07 0.08 0.10 -0.04 1.99 2.20 2nlzA1 GLU 506 HG2 0.04 0.04 0.09 -0.04 2.34 2.47 2nlzA1 GLU 506 HG3 0.05 0.07 0.12 -0.04 2.34 2.53 2nlzA1 GLY 507 H 0.13 0.19 0.16 -0.55 8.43 8.36 2nlzA1 GLY 507 HA2 0.09 0.07 0.27 -0.51 4.01 3.93 2nlzA1 GLY 507 HA3 0.15 0.14 0.35 -0.51 4.01 4.15 2nlzA1 ALA 508 H 0.12 0.27 -0.56 -0.55 8.40 7.68 2nlzA1 ALA 508 HA -0.07 0.13 0.48 -0.75 4.34 4.13 2nlzA1 ALA 508 HB3 -0.14 0.02 -0.05 -0.04 1.41 1.20 2nlzA1 PHE 509 H 0.21 -0.01 -0.43 -0.55 8.34 7.55 2nlzA1 PHE 509 HA -0.01 0.25 0.84 -0.75 4.62 4.95 2nlzA1 PHE 509 HB2 0.00 -0.03 -0.00 -0.04 3.15 3.07 2nlzA1 PHE 509 HB3 -0.02 0.04 0.08 -0.04 3.06 3.12 2nlzA1 PHE 509 HD2 -0.00 -0.00 -0.25 -0.04 7.28 6.98 2nlzA1 PHE 509 HE2 0.03 0.08 -0.30 -0.04 7.38 7.15 2nlzA1 PHE 509 HZ 0.01 0.00 -0.40 -0.04 7.32 6.88 2nlzA1 GLY 510 H 0.03 0.16 -0.36 -0.55 8.43 7.71 2nlzA1 GLY 510 HA2 0.00 -0.03 0.12 -0.51 4.01 3.59 2nlzA1 GLY 510 HA3 0.02 0.28 0.23 -0.51 4.01 4.03 2nlzA1 ARG 511 H 0.01 0.16 0.02 -0.55 8.46 8.09 2nlzA1 ARG 511 HA 0.01 0.17 0.89 -0.75 4.34 4.66 2nlzA1 ARG 511 HB2 0.01 -0.06 0.07 -0.04 1.90 1.88 2nlzA1 ARG 511 HB3 0.02 0.01 -0.03 -0.04 1.80 1.76 2nlzA1 ARG 511 HG2 0.01 0.02 -0.15 -0.04 1.67 1.51 2nlzA1 ARG 511 HG3 0.00 -0.04 -0.49 -0.04 1.67 1.10 2nlzA1 ARG 511 HD2 -0.03 0.01 -0.02 -0.04 3.22 3.14 2nlzA1 ARG 511 HD3 -0.02 0.02 -0.03 -0.04 3.22 3.15 2nlzA1 GLY 512 H 0.00 0.16 0.13 -0.55 8.43 8.18 2nlzA1 GLY 512 HA2 -0.03 0.36 1.10 -0.51 4.01 4.93 2nlzA1 GLY 512 HA3 -0.03 0.07 0.26 -0.51 4.01 3.80 2nlzA1 GLN 513 H 0.04 0.45 0.28 -0.55 8.47 8.69 2nlzA1 GLN 513 HA -0.01 0.19 0.53 -0.75 4.36 4.32 2nlzA1 GLN 513 HB2 0.31 -0.04 -0.13 -0.04 2.15 2.25 2nlzA1 GLN 513 HB3 0.03 0.01 -0.02 -0.04 2.02 2.00 2nlzA1 GLN 513 HG2 0.26 -0.08 -0.54 -0.04 2.40 1.99 2nlzA1 GLN 513 HG3 0.06 0.09 -0.31 -0.04 2.39 2.19 2nlzA1 GLN 513 HE21 0.01 -0.01 -0.25 -0.04 6.97 6.68 2nlzA1 GLN 513 HE22 0.05 -0.02 -0.34 -0.04 7.69 7.34 2nlzA1 ILE 514 H -0.15 0.59 0.23 -0.55 8.25 8.37 2nlzA1 ILE 514 HA -0.38 0.27 0.89 -0.75 4.18 4.21 2nlzA1 ILE 514 HB -0.42 -0.09 0.01 -0.04 1.89 1.35 2nlzA1 ILE 514 HG12 -0.51 0.04 -0.02 -0.04 1.49 0.96 2nlzA1 ILE 514 HG13 -0.23 -0.02 -0.55 -0.04 1.21 0.36 2nlzA1 ILE 514 HG23 -1.68 0.01 -0.20 -0.04 0.93 -0.99 2nlzA1 ILE 514 HD13 -0.21 0.04 -0.16 -0.04 0.88 0.50 2nlzA1 ILE 515 H -0.39 0.61 0.17 -0.55 8.25 8.10 2nlzA1 ILE 515 HA -0.28 0.16 0.56 -0.75 4.18 3.86 2nlzA1 ILE 515 HB -0.07 0.01 0.03 -0.04 1.89 1.81 2nlzA1 ILE 515 HG12 -0.10 0.00 -0.11 -0.04 1.49 1.24 2nlzA1 ILE 515 HG13 -0.11 -0.07 -0.43 -0.04 1.21 0.56 2nlzA1 ILE 515 HG23 -0.02 -0.01 -0.31 -0.04 0.93 0.54 2nlzA1 ILE 515 HD13 -0.02 -0.03 -0.43 -0.04 0.88 0.36 2nlzA1 TRP 516 H -0.15 0.58 0.23 -0.55 7.97 8.09 2nlzA1 TRP 516 HA -0.09 0.46 1.15 -0.75 4.62 5.39 2nlzA1 TRP 516 HB2 -0.07 -0.09 0.08 -0.04 3.23 3.11 2nlzA1 TRP 516 HB3 -0.05 0.04 -0.02 -0.04 3.23 3.16 2nlzA1 TRP 516 HD1 -0.07 -0.05 -0.06 -0.04 7.22 7.00 2nlzA1 TRP 516 HE1 -0.12 0.04 -0.16 -0.04 10.20 9.92 2nlzA1 TRP 516 HE3 -0.12 0.28 -0.21 -0.04 7.59 7.50 2nlzA1 TRP 516 HZ2 -0.29 0.02 -0.18 -0.04 7.44 6.94 2nlzA1 TRP 516 HZ3 -0.03 0.13 -0.39 -0.04 7.13 6.81 2nlzA1 TRP 516 HH2 -0.37 -0.04 -0.24 -0.04 7.19 6.49 2nlzA1 ARG 517 H 0.18 0.90 0.33 -0.55 8.46 9.32 2nlzA1 ARG 517 HA 0.08 0.20 0.93 -0.75 4.34 4.80 2nlzA1 ARG 517 HB2 0.07 -0.08 -0.16 -0.04 1.90 1.69 2nlzA1 ARG 517 HB3 0.04 0.04 -0.04 -0.04 1.80 1.80 2nlzA1 ARG 517 HG2 0.04 0.08 -0.59 -0.04 1.67 1.16 2nlzA1 ARG 517 HG3 0.06 0.05 -0.21 -0.04 1.67 1.52 2nlzA1 ARG 517 HD2 0.05 -0.07 -0.13 -0.04 3.22 3.03 2nlzA1 ARG 517 HD3 -0.01 0.06 -0.15 -0.04 3.22 3.08 2nlzA1 ASP 518 H 0.08 0.53 0.15 -0.55 8.40 8.61 2nlzA1 ASP 518 HA 0.04 0.14 0.62 -0.75 4.63 4.68 2nlzA1 ASP 518 HB2 0.08 0.11 0.14 -0.04 2.71 3.00 2nlzA1 ASP 518 HB3 0.06 -0.27 0.20 -0.04 2.70 2.66 2nlzA1 PRO 519 HA 0.01 0.18 0.40 -0.51 4.44 4.52 2nlzA1 PRO 519 HB2 -0.01 0.02 -0.01 -0.04 2.28 2.24 2nlzA1 PRO 519 HB3 -0.03 0.11 0.07 -0.04 2.02 2.13 2nlzA1 PRO 519 HG2 -0.01 -0.06 0.09 -0.04 2.03 2.01 2nlzA1 PRO 519 HG3 -0.03 0.08 0.07 -0.04 2.03 2.10 2nlzA1 PRO 519 HD2 0.01 -0.03 0.26 -0.04 3.68 3.87 2nlzA1 PRO 519 HD3 -0.01 0.31 0.29 -0.04 3.65 4.21 2nlzA1 THR 520 H 0.02 0.02 -0.11 -0.55 8.28 7.66 2nlzA1 THR 520 HA 0.02 0.18 0.60 -0.75 4.39 4.43 2nlzA1 THR 520 HB 0.02 0.00 0.01 -0.04 4.32 4.31 2nlzA1 THR 520 HG23 0.01 0.01 0.01 -0.04 1.22 1.22 2nlzA1 THR 521 H 0.03 -0.02 -0.00 -0.55 8.28 7.74 2nlzA1 THR 521 HA 0.03 0.18 0.51 -0.75 4.39 4.35 2nlzA1 THR 521 HB 0.03 0.02 0.07 -0.04 4.32 4.39 2nlzA1 THR 521 HG23 0.05 -0.04 0.08 -0.04 1.22 1.27 2nlzA1 GLY 522 H 0.05 0.16 -0.12 -0.55 8.43 7.97 2nlzA1 GLY 522 HA2 0.05 0.20 0.26 -0.51 4.01 4.01 2nlzA1 GLY 522 HA3 0.05 0.13 0.50 -0.51 4.01 4.18 2nlzA1 VAL 523 H 0.07 -0.12 -0.16 -0.55 8.24 7.48 2nlzA1 VAL 523 HA 0.08 0.18 0.67 -0.75 4.13 4.31 2nlzA1 VAL 523 HB 0.09 0.00 0.02 -0.04 2.12 2.20 2nlzA1 VAL 523 HG13 0.14 -0.04 -0.00 -0.04 0.97 1.03 2nlzA1 VAL 523 HG23 0.23 0.03 -0.02 -0.04 0.95 1.15 2nlzA1 LEU 524 H 0.08 0.71 0.39 -0.55 8.37 9.01 2nlzA1 LEU 524 HA 0.04 0.30 0.93 -0.75 4.35 4.86 2nlzA1 LEU 524 HB2 0.03 -0.20 -0.04 -0.04 1.64 1.39 2nlzA1 LEU 524 HB3 0.01 -0.01 -0.16 -0.04 1.64 1.45 2nlzA1 LEU 524 HG 0.06 0.16 -0.15 -0.04 1.64 1.67 2nlzA1 LEU 524 HD13 0.07 -0.05 -0.47 -0.04 0.93 0.44 2nlzA1 LEU 524 HD23 0.06 0.02 -0.22 -0.04 0.89 0.71 2nlzA1 ALA 525 H -0.05 0.84 0.33 -0.55 8.40 8.98 2nlzA1 ALA 525 HA -0.58 0.30 1.10 -0.75 4.34 4.41 2nlzA1 ALA 525 HB3 -0.35 -0.03 0.01 -0.04 1.41 1.00 2nlzA1 GLY 526 H -0.26 0.77 0.32 -0.55 8.43 8.72 2nlzA1 GLY 526 HA2 -0.23 0.30 1.00 -0.51 4.01 4.57 2nlzA1 GLY 526 HA3 -0.14 -0.02 0.27 -0.51 4.01 3.61 2nlzA1 GLY 527 H -0.22 0.74 0.32 -0.55 8.43 8.72 2nlzA1 GLY 527 HA2 -0.09 0.08 0.73 -0.51 4.01 4.21 2nlzA1 GLY 527 HA3 -0.14 0.04 -0.10 -0.51 4.01 3.29 2nlzA1 THR 528 H -0.05 0.18 0.07 -0.55 8.28 7.94 2nlzA1 THR 528 HA -0.04 0.21 0.90 -0.75 4.39 4.71 2nlzA1 THR 528 HB -0.03 -0.09 -0.27 -0.04 4.32 3.88 2nlzA1 THR 528 HG23 -0.02 0.03 -0.24 -0.04 1.22 0.94 2nlzA1 GLU 529 H -0.01 0.17 0.07 -0.55 8.60 8.29 2nlzA1 GLU 529 HA -0.02 0.14 0.43 -0.75 4.29 4.08 2nlzA1 GLU 529 HB2 0.00 0.04 0.21 -0.04 2.09 2.30 2nlzA1 GLU 529 HB3 0.00 -0.01 0.09 -0.04 1.99 2.03 2nlzA1 GLU 529 HG2 0.01 -0.01 0.05 -0.04 2.34 2.35 2nlzA1 GLU 529 HG3 0.00 -0.14 -0.26 -0.04 2.34 1.90 2nlzA1 PRO 530 HA -0.03 0.13 0.49 -0.51 4.44 4.52 2nlzA1 PRO 530 HB2 -0.04 0.01 -0.02 -0.04 2.28 2.20 2nlzA1 PRO 530 HB3 -0.03 -0.04 0.05 -0.04 2.02 1.97 2nlzA1 PRO 530 HG2 -0.02 0.07 0.03 -0.04 2.03 2.06 2nlzA1 PRO 530 HG3 -0.02 0.01 -0.03 -0.04 2.03 1.95 2nlzA1 PRO 530 HD2 -0.02 0.12 0.14 -0.04 3.68 3.89 2nlzA1 PRO 530 HD3 -0.03 0.26 0.18 -0.04 3.65 4.02 2nlzA1 ARG 531 H -0.01 0.13 -0.18 -0.55 8.46 7.84 2nlzA1 ARG 531 HA -0.03 0.11 0.43 -0.75 4.34 4.11 2nlzA1 ARG 531 HB2 0.02 0.07 0.03 -0.04 1.90 1.98 2nlzA1 ARG 531 HB3 0.04 -0.12 0.17 -0.04 1.80 1.84 2nlzA1 ARG 531 HG2 0.01 -0.03 0.03 -0.04 1.67 1.64 2nlzA1 ARG 531 HG3 -0.01 -0.00 -0.00 -0.04 1.67 1.62 2nlzA1 ARG 531 HD2 0.04 0.13 -0.00 -0.04 3.22 3.34 2nlzA1 ARG 531 HD3 0.07 -0.16 0.00 -0.04 3.22 3.09 2nlzA1 THR 532 H -0.01 0.36 -0.62 -0.55 8.28 7.46 2nlzA1 THR 532 HA 0.02 0.05 0.62 -0.75 4.39 4.33 2nlzA1 THR 532 HB 0.02 -0.00 -0.24 -0.04 4.32 4.06 2nlzA1 THR 532 HG23 -0.00 0.05 -0.17 -0.04 1.22 1.06 2nlzA1 ASP 533 H 0.02 0.01 0.17 -0.55 8.40 8.06 2nlzA1 ASP 533 HA 0.00 0.09 0.65 -0.75 4.63 4.62 2nlzA1 ASP 533 HB2 0.01 0.07 0.12 -0.04 2.71 2.87 2nlzA1 ASP 533 HB3 0.01 -0.03 0.13 -0.04 2.70 2.77 2nlzA1 GLY 534 H -0.01 0.21 0.21 -0.55 8.43 8.30 2nlzA1 GLY 534 HA2 -0.02 -0.14 0.12 -0.51 4.01 3.46 2nlzA1 GLY 534 HA3 -0.01 0.17 0.44 -0.51 4.01 4.10 2nlzA1 GLN 535 H -0.02 0.57 0.22 -0.55 8.47 8.69 2nlzA1 GLN 535 HA -0.01 0.15 0.87 -0.75 4.36 4.61 2nlzA1 GLN 535 HB2 -0.01 -0.10 -0.49 -0.04 2.15 1.50 2nlzA1 GLN 535 HB3 -0.01 -0.08 -0.12 -0.04 2.02 1.77 2nlzA1 GLN 535 HG2 0.00 0.18 -0.27 -0.04 2.40 2.27 2nlzA1 GLN 535 HG3 0.00 0.06 0.02 -0.04 2.39 2.43 2nlzA1 GLN 535 HE21 0.01 -0.02 -0.04 -0.04 6.97 6.89 2nlzA1 GLN 535 HE22 0.01 0.04 -0.01 -0.04 7.69 7.69 2nlzA1 VAL 536 H -0.02 0.20 0.15 -0.55 8.24 8.02 2nlzA1 VAL 536 HA -0.03 0.27 0.95 -0.75 4.13 4.56 2nlzA1 VAL 536 HB -0.02 -0.02 -0.06 -0.04 2.12 1.97 2nlzA1 VAL 536 HG13 -0.06 -0.01 -0.12 -0.04 0.97 0.74 2nlzA1 VAL 536 HG23 -0.05 0.02 -0.27 -0.04 0.95 0.60 2nlzA1 ALA 537 H 0.00 0.63 0.23 -0.55 8.40 8.72 2nlzA1 ALA 537 HA 0.03 0.13 0.87 -0.75 4.34 4.62 2nlzA1 ALA 537 HB3 0.03 0.02 -0.06 -0.04 1.41 1.35 2nlzA1 ALA 538 H 0.06 0.12 0.14 -0.55 8.40 8.17 2nlzA1 ALA 538 HA 0.09 0.24 0.83 -0.75 4.34 4.75 2nlzA1 ALA 538 HB3 0.06 -0.01 0.08 -0.04 1.41 1.50 2nlzA1 TRP 539 H 0.20 0.61 0.32 -0.55 7.97 8.56 2nlzA1 TRP 539 HA 0.00 0.09 0.38 -0.75 4.62 4.34 2nlzA1 TRP 539 HB2 0.00 0.09 0.00 -0.04 3.23 3.28 2nlzA1 TRP 539 HB3 0.01 -0.02 -0.05 -0.04 3.23 3.13 2nlzA1 TRP 539 HD1 -0.00 0.06 0.04 -0.04 7.22 7.28 2nlzA1 TRP 539 HE1 -0.01 0.06 0.00 -0.04 10.20 10.22 2nlzA1 TRP 539 HE3 0.02 -0.01 -0.33 -0.04 7.59 7.23 2nlzA1 TRP 539 HZ2 0.02 0.04 -0.11 -0.04 7.44 7.35 2nlzA1 TRP 539 HZ3 0.04 0.06 -0.02 -0.04 7.13 7.17 2nlzA1 TRP 539 HH2 0.05 -0.06 -0.20 -0.04 7.19 6.95 2nlzA1 GLU 540 H -0.63 0.16 0.06 -0.55 8.60 7.65 2nlzA1 GLU 540 HA -0.64 0.16 1.04 -0.75 4.29 4.09 2nlzA1 GLU 540 HB2 -0.25 0.03 0.09 -0.04 2.09 1.91 2nlzA1 GLU 540 HB3 -0.27 0.05 0.24 -0.04 1.99 1.97 2nlzA1 GLU 540 HG2 -0.11 -0.06 -0.29 -0.04 2.34 1.84 2nlzA1 GLU 540 HG3 -0.10 0.06 -0.01 -0.04 2.34 2.26 2nlzA1 GLY 541 H -2.78 0.03 -0.05 -0.55 8.43 5.09 2nlzA1 GLY 541 HA2 -0.48 0.16 0.68 -0.51 4.01 3.86 2nlzA1 GLY 541 HA3 -0.23 0.02 0.36 -0.51 4.01 3.65 2nlzA1 HIS 542 H 0.15 0.18 0.07 -0.55 8.41 8.26 2nlzA1 HIS 542 HA -0.01 0.29 0.82 -0.75 4.63 4.98 2nlzA1 HIS 542 HB2 0.05 -0.02 0.07 -0.04 3.26 3.32 2nlzA1 HIS 542 HB3 0.05 0.04 0.07 -0.04 3.20 3.32 2nlzA1 HIS 542 HD2 -0.01 -0.02 -0.02 -0.04 6.97 6.89 2nlzA1 HIS 542 HE1 -0.07 0.00 -0.03 -0.04 7.75 7.61