============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 75 rings ring int. center anis. iso. PHE 2 1.000 37.333 17.076 3.097 -99.200 -91.000 PHE 6 1.000 48.147 24.453 10.015 -99.200 -91.000 HIS 8 0.900 54.499 32.217 6.800 -99.200 -91.000 TRP 14 1.040 51.734 28.869 20.793 -99.200 -91.000 TRP6 14 1.020 49.907 29.294 19.332 -99.200 -91.000 TYR 21 0.840 44.381 40.969 18.330 -99.200 -91.000 HIS 22 0.900 37.994 41.238 22.969 -99.200 -91.000 TYR 23 0.840 41.433 38.146 13.247 -99.200 -91.000 TRP 32 1.040 31.366 43.018 7.739 -99.200 -91.000 TRP6 32 1.020 29.743 41.760 8.913 -99.200 -91.000 HIS 33 0.900 34.533 45.066 9.425 -99.200 -91.000 HIS 49 0.900 24.500 36.585 -24.962 -99.200 -91.000 TRP 57 1.040 14.108 38.754 -45.410 -99.200 -91.000 TRP6 57 1.020 12.683 36.975 -46.048 -99.200 -91.000 HIS 60 0.900 20.573 37.088 -58.109 -99.200 -91.000 TRP 64 1.040 13.755 35.542 -64.659 -99.200 -91.000 TRP6 64 1.020 13.177 33.276 -64.292 -99.200 -91.000 PHE 70 1.000 6.355 34.092 -87.518 -99.200 -91.000 TRP 72 1.040 13.335 34.492 -94.847 -99.200 -91.000 TRP6 72 1.020 12.832 33.401 -96.894 -99.200 -91.000 TYR 73 0.840 13.464 29.676 -93.121 -99.200 -91.000 TYR 77 0.840 14.099 27.559 -85.433 -99.200 -91.000 PHE 85 1.000 17.991 43.762 -62.716 -99.200 -91.000 TRP 104 1.040 8.695 37.630 -54.784 -99.200 -91.000 TRP6 104 1.020 9.380 35.619 -55.826 -99.200 -91.000 PHE 109 1.000 12.826 32.171 -68.743 -99.200 -91.000 TYR 116 0.840 6.452 36.805 -92.306 -99.200 -91.000 HIS 132 0.900 22.545 33.722 -45.922 -99.200 -91.000 HIS 133 0.900 20.266 30.772 -40.021 -99.200 -91.000 TYR 139 0.840 34.313 40.193 -27.083 -99.200 -91.000 TRP 143 1.040 24.768 42.660 -39.903 -99.200 -91.000 TRP6 143 1.020 23.081 42.266 -38.294 -99.200 -91.000 PHE 148 1.000 27.101 39.451 -44.327 -99.200 -91.000 TYR 156 0.840 17.969 47.586 -41.702 -99.200 -91.000 HIS 162 0.900 29.019 34.150 -54.940 -99.200 -91.000 TRP 167 1.040 21.729 38.785 -44.889 -99.200 -91.000 TRP6 167 1.020 21.815 39.975 -42.842 -99.200 -91.000 HIS 168 0.900 18.179 44.163 -48.553 -99.200 -91.000 TYR 171 0.840 13.748 41.449 -35.790 -99.200 -91.000 PHE 188 1.000 32.090 55.276 -7.549 -99.200 -91.000 PHE 189 1.000 31.068 49.798 -1.906 -99.200 -91.000 PHE 205 1.000 33.158 50.562 -10.067 -99.200 -91.000 TYR 209 0.840 22.980 39.802 -11.657 -99.200 -91.000 PHE 210 1.000 30.045 43.729 -10.281 -99.200 -91.000 TYR 212 0.840 34.899 46.379 -2.428 -99.200 -91.000 TYR 223 0.840 28.085 42.845 -25.010 -99.200 -91.000 HIS 226 0.900 24.710 49.975 -26.365 -99.200 -91.000 TRP 227 1.040 32.604 53.632 -27.074 -99.200 -91.000 TRP6 227 1.020 34.834 52.871 -26.844 -99.200 -91.000 TRP 236 1.040 31.421 46.561 -21.190 -99.200 -91.000 TRP6 236 1.020 29.184 47.008 -21.842 -99.200 -91.000 PHE 237 1.000 29.840 49.334 -14.652 -99.200 -91.000 PHE 245 1.000 31.803 55.503 -20.459 -99.200 -91.000 PHE 250 1.000 35.825 54.631 -15.912 -99.200 -91.000 TYR 281 0.840 30.157 40.207 14.348 -99.200 -91.000 TRP 288 1.040 36.622 37.359 20.277 -99.200 -91.000 TRP6 288 1.020 38.785 36.952 21.195 -99.200 -91.000 TYR 304 0.840 32.802 28.310 16.196 -99.200 -91.000 PHE 316 1.000 43.149 33.736 17.744 -99.200 -91.000 TYR 325 0.840 48.205 37.563 19.891 -99.200 -91.000 PHE 326 1.000 52.068 31.829 15.693 -99.200 -91.000 TYR 330 0.840 46.072 31.888 9.381 -99.200 -91.000 TRP 357 1.040 51.625 23.154 15.086 -99.200 -91.000 TRP6 357 1.020 51.958 25.494 14.757 -99.200 -91.000 TRP 360 1.040 51.837 18.439 17.613 -99.200 -91.000 TRP6 360 1.020 49.771 19.062 16.616 -99.200 -91.000 TYR 363 0.840 41.980 20.984 24.978 -99.200 -91.000 TYR 380 0.840 49.209 14.485 13.654 -99.200 -91.000 PHE 382 1.000 43.932 19.296 9.726 -99.200 -91.000 TYR 385 0.840 32.420 27.672 11.269 -99.200 -91.000 HIS 389 0.900 34.100 29.789 6.420 -99.200 -91.000 HIS 397 0.900 37.766 29.744 -7.130 -99.200 -91.000 PHE 405 1.000 29.060 37.771 -23.417 -99.200 -91.000 HIS 407 0.900 36.452 38.733 -31.339 -99.200 -91.000 HIS 409 0.900 35.084 30.110 -33.470 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2cmzB1 LYS 1 HA -0.14 -0.09 0.15 -0.75 4.32 3.50 2cmzB1 LYS 1 HB2 -0.11 -0.06 0.05 -0.04 1.87 1.71 2cmzB1 LYS 1 HB3 -0.12 0.13 0.04 -0.04 1.79 1.80 2cmzB1 LYS 1 HG2 -0.66 -0.01 -0.10 -0.04 1.46 0.65 2cmzB1 LYS 1 HG3 -0.24 -0.05 0.04 -0.04 1.46 1.17 2cmzB1 LYS 1 HD2 -0.33 -0.06 -0.01 -0.04 1.69 1.25 2cmzB1 LYS 1 HD3 -0.13 -0.04 0.02 -0.04 1.68 1.49 2cmzB1 LYS 1 HE2 0.00 0.29 0.08 -0.04 2.99 3.32 2cmzB1 LYS 1 HE3 -0.35 -0.09 -0.09 -0.04 2.99 2.41 2cmzB1 PHE 2 H 0.11 0.67 0.17 -0.55 8.34 8.74 2cmzB1 PHE 2 HA -0.02 0.14 0.88 -0.75 4.62 4.86 2cmzB1 PHE 2 HB2 -0.09 -0.05 -0.02 -0.04 3.15 2.95 2cmzB1 PHE 2 HB3 -0.04 0.03 -0.08 -0.04 3.06 2.92 2cmzB1 PHE 2 HD2 -0.03 0.06 -0.21 -0.04 7.28 7.05 2cmzB1 PHE 2 HE2 -0.01 -0.00 -0.02 -0.04 7.38 7.31 2cmzB1 PHE 2 HZ -0.00 -0.04 -0.02 -0.04 7.32 7.22 2cmzB1 THR 3 H 0.08 0.17 0.05 -0.55 8.28 8.03 2cmzB1 THR 3 HA 0.04 0.26 0.92 -0.75 4.39 4.86 2cmzB1 THR 3 HB 0.03 0.01 0.12 -0.04 4.32 4.43 2cmzB1 THR 3 HG23 0.02 -0.01 -0.12 -0.04 1.22 1.07 2cmzB1 ILE 4 H 0.06 0.77 0.45 -0.55 8.25 8.98 2cmzB1 ILE 4 HA 0.10 0.15 0.80 -0.75 4.18 4.48 2cmzB1 ILE 4 HB 0.18 0.10 0.05 -0.04 1.89 2.17 2cmzB1 ILE 4 HG12 -0.00 0.04 -0.06 -0.04 1.49 1.43 2cmzB1 ILE 4 HG13 0.13 -0.04 -0.28 -0.04 1.21 0.97 2cmzB1 ILE 4 HG23 0.05 -0.00 -0.31 -0.04 0.93 0.63 2cmzB1 ILE 4 HD13 0.05 -0.01 -0.19 -0.04 0.88 0.70 2cmzB1 VAL 5 H 0.14 0.19 0.11 -0.55 8.24 8.14 2cmzB1 VAL 5 HA 0.20 0.33 1.03 -0.75 4.13 4.93 2cmzB1 VAL 5 HB 0.28 -0.08 -0.30 -0.04 2.12 1.99 2cmzB1 VAL 5 HG13 0.10 -0.05 -0.49 -0.04 0.97 0.49 2cmzB1 VAL 5 HG23 0.03 -0.00 -0.40 -0.04 0.95 0.54 2cmzB1 PHE 6 H 0.32 0.51 0.22 -0.55 8.34 8.84 2cmzB1 PHE 6 HA 0.20 0.14 0.63 -0.75 4.62 4.84 2cmzB1 PHE 6 HB2 0.17 -0.02 -0.44 -0.04 3.15 2.83 2cmzB1 PHE 6 HB3 0.14 0.00 -0.14 -0.04 3.06 3.02 2cmzB1 PHE 6 HD2 0.19 0.13 -0.06 -0.04 7.28 7.49 2cmzB1 PHE 6 HE2 0.18 0.17 -0.06 -0.04 7.38 7.63 2cmzB1 PHE 6 HZ -0.20 -0.11 -0.10 -0.04 7.32 6.88 2cmzB1 PRO 7 HA -0.60 0.05 0.48 -0.51 4.44 3.87 2cmzB1 PRO 7 HB2 -0.14 0.21 0.09 -0.04 2.28 2.40 2cmzB1 PRO 7 HB3 -0.25 -0.08 0.06 -0.04 2.02 1.70 2cmzB1 PRO 7 HG2 -0.69 -0.02 0.03 -0.04 2.03 1.31 2cmzB1 PRO 7 HG3 -0.86 0.05 -0.02 -0.04 2.03 1.16 2cmzB1 PRO 7 HD2 -2.04 0.13 0.16 -0.04 3.68 1.90 2cmzB1 PRO 7 HD3 -0.44 0.18 0.05 -0.04 3.65 3.41 2cmzB1 HIS 8 H -0.03 0.60 0.38 -0.55 8.41 8.82 2cmzB1 HIS 8 HA 0.09 0.15 0.57 -0.75 4.63 4.69 2cmzB1 HIS 8 HB2 0.03 -0.04 0.14 -0.04 3.26 3.35 2cmzB1 HIS 8 HB3 0.01 0.04 0.09 -0.04 3.20 3.30 2cmzB1 HIS 8 HD2 -0.03 -0.10 -0.02 -0.04 6.97 6.78 2cmzB1 HIS 8 HE1 -0.01 -0.01 -0.03 -0.04 7.75 7.65 2cmzB1 ASN 9 H 0.25 -0.03 -0.45 -0.55 8.53 7.75 2cmzB1 ASN 9 HA -0.05 0.10 0.78 -0.75 4.76 4.84 2cmzB1 ASN 9 HB2 0.32 -0.04 0.01 -0.04 2.88 3.12 2cmzB1 ASN 9 HB3 -0.03 0.09 0.05 -0.04 2.79 2.86 2cmzB1 ASN 9 HD21 -0.04 -0.00 -0.02 -0.04 7.03 6.93 2cmzB1 ASN 9 HD22 -0.13 0.01 0.03 -0.04 7.74 7.61 2cmzB1 GLN 10 H -0.16 0.08 0.14 -0.55 8.47 7.97 2cmzB1 GLN 10 HA -0.10 0.42 0.69 -0.75 4.36 4.61 2cmzB1 GLN 10 HB2 -0.19 -0.02 0.07 -0.04 2.15 1.96 2cmzB1 GLN 10 HB3 -0.33 -0.09 -0.09 -0.04 2.02 1.47 2cmzB1 GLN 10 HG2 -0.04 -0.08 -0.43 -0.04 2.40 1.80 2cmzB1 GLN 10 HG3 -0.01 0.15 -0.17 -0.04 2.39 2.31 2cmzB1 GLN 10 HE21 -0.02 -0.13 -0.02 -0.04 6.97 6.76 2cmzB1 GLN 10 HE22 0.01 0.68 0.04 -0.04 7.69 8.38 2cmzB1 LYS 11 H -0.54 0.16 0.02 -0.55 8.42 7.50 2cmzB1 LYS 11 HA -1.52 0.13 0.72 -0.75 4.32 2.89 2cmzB1 LYS 11 HB2 -0.45 0.04 0.06 -0.04 1.87 1.49 2cmzB1 LYS 11 HB3 -0.54 0.01 -0.15 -0.04 1.79 1.07 2cmzB1 LYS 11 HG2 -0.37 -0.10 -0.03 -0.04 1.46 0.92 2cmzB1 LYS 11 HG3 -0.38 0.05 -0.30 -0.04 1.46 0.79 2cmzB1 LYS 11 HD2 -0.22 0.04 -0.08 -0.04 1.69 1.39 2cmzB1 LYS 11 HD3 -0.26 0.00 -0.09 -0.04 1.68 1.29 2cmzB1 LYS 11 HE2 -0.16 0.01 -0.05 -0.04 2.99 2.76 2cmzB1 LYS 11 HE3 -0.20 -0.04 -0.05 -0.04 2.99 2.67 2cmzB1 GLY 12 H -0.45 0.20 0.12 -0.55 8.43 7.76 2cmzB1 GLY 12 HA2 -1.80 0.20 0.88 -0.51 4.01 2.78 2cmzB1 GLY 12 HA3 -1.94 0.03 0.15 -0.51 4.01 1.74 2cmzB1 ASN 13 H -1.50 0.16 0.02 -0.55 8.53 6.66 2cmzB1 ASN 13 HA -0.37 0.18 0.84 -0.75 4.76 4.66 2cmzB1 ASN 13 HB2 -0.35 -0.02 0.05 -0.04 2.88 2.52 2cmzB1 ASN 13 HB3 -0.27 -0.01 0.23 -0.04 2.79 2.70 2cmzB1 ASN 13 HD21 -0.10 -0.00 0.00 -0.04 7.03 6.89 2cmzB1 ASN 13 HD22 -0.14 -0.02 0.01 -0.04 7.74 7.56 2cmzB1 TRP 14 H -0.13 0.17 -0.17 -0.55 7.97 7.29 2cmzB1 TRP 14 HA -0.01 0.14 0.03 -0.75 4.62 4.02 2cmzB1 TRP 14 HB2 0.00 0.00 -0.01 -0.04 3.23 3.18 2cmzB1 TRP 14 HB3 0.05 0.02 -0.11 -0.04 3.23 3.15 2cmzB1 TRP 14 HD1 -0.02 0.05 -0.08 -0.04 7.22 7.13 2cmzB1 TRP 14 HE1 0.14 0.06 -0.07 -0.04 10.20 10.29 2cmzB1 TRP 14 HE3 0.15 0.05 -0.49 -0.04 7.59 7.26 2cmzB1 TRP 14 HZ2 0.14 0.05 -0.20 -0.04 7.44 7.38 2cmzB1 TRP 14 HZ3 0.11 0.14 -0.56 -0.04 7.13 6.78 2cmzB1 TRP 14 HH2 0.00 -0.05 -0.34 -0.04 7.19 6.77 2cmzB1 LYS 15 H 0.25 0.53 0.41 -0.55 8.42 9.05 2cmzB1 LYS 15 HA 0.14 0.11 0.85 -0.75 4.32 4.66 2cmzB1 LYS 15 HB2 0.04 0.02 0.04 -0.04 1.87 1.93 2cmzB1 LYS 15 HB3 0.14 -0.00 0.13 -0.04 1.79 2.02 2cmzB1 LYS 15 HG2 0.02 -0.06 0.02 -0.04 1.46 1.40 2cmzB1 LYS 15 HG3 -0.02 0.13 -0.32 -0.04 1.46 1.21 2cmzB1 LYS 15 HD2 -0.40 0.02 0.03 -0.04 1.69 1.29 2cmzB1 LYS 15 HD3 -0.06 -0.04 0.01 -0.04 1.68 1.55 2cmzB1 LYS 15 HE2 -0.13 0.25 0.09 -0.04 2.99 3.17 2cmzB1 LYS 15 HE3 -0.16 -0.13 0.07 -0.04 2.99 2.72 2cmzB1 ASN 16 H 0.17 0.09 0.15 -0.55 8.53 8.38 2cmzB1 ASN 16 HA 0.23 0.22 0.67 -0.75 4.76 5.12 2cmzB1 ASN 16 HB2 0.14 -0.06 0.08 -0.04 2.88 2.99 2cmzB1 ASN 16 HB3 0.14 0.09 -0.05 -0.04 2.79 2.93 2cmzB1 ASN 16 HD21 0.08 0.00 0.01 -0.04 7.03 7.09 2cmzB1 ASN 16 HD22 0.09 -0.03 0.03 -0.04 7.74 7.78 2cmzB1 VAL 17 H 0.25 0.21 0.11 -0.55 8.24 8.26 2cmzB1 VAL 17 HA 0.16 0.12 0.57 -0.75 4.13 4.23 2cmzB1 VAL 17 HB 0.26 -0.03 0.07 -0.04 2.12 2.38 2cmzB1 VAL 17 HG13 0.14 0.04 -0.07 -0.04 0.97 1.04 2cmzB1 VAL 17 HG23 0.39 -0.00 -0.16 -0.04 0.95 1.13 2cmzB1 PRO 18 HA 0.04 0.02 0.50 -0.51 4.44 4.50 2cmzB1 PRO 18 HB2 -0.02 -0.05 -0.04 -0.04 2.28 2.13 2cmzB1 PRO 18 HB3 -0.00 0.01 0.06 -0.04 2.02 2.05 2cmzB1 PRO 18 HG2 -0.05 0.02 0.05 -0.04 2.03 2.01 2cmzB1 PRO 18 HG3 0.07 0.07 0.06 -0.04 2.03 2.19 2cmzB1 PRO 18 HD2 0.02 0.07 0.19 -0.04 3.68 3.92 2cmzB1 PRO 18 HD3 0.18 0.32 0.29 -0.04 3.65 4.40 2cmzB1 SER 19 H 0.01 0.12 0.17 -0.55 8.46 8.20 2cmzB1 SER 19 HA -0.01 0.17 0.34 -0.75 4.49 4.24 2cmzB1 SER 19 HB2 0.00 -0.07 0.11 -0.04 3.95 3.96 2cmzB1 SER 19 HB3 0.02 0.03 0.01 -0.04 3.93 3.96 2cmzB1 ASN 20 H -0.09 0.01 -0.32 -0.55 8.53 7.58 2cmzB1 ASN 20 HA -0.21 0.21 0.73 -0.75 4.76 4.73 2cmzB1 ASN 20 HB2 -0.08 0.02 0.13 -0.04 2.88 2.91 2cmzB1 ASN 20 HB3 -0.06 -0.02 0.02 -0.04 2.79 2.68 2cmzB1 ASN 20 HD21 -0.05 -0.01 -0.05 -0.04 7.03 6.89 2cmzB1 ASN 20 HD22 -0.05 0.01 -0.01 -0.04 7.74 7.65 2cmzB1 TYR 21 H -0.38 0.60 -0.51 -0.55 8.29 7.45 2cmzB1 TYR 21 HA -0.34 0.09 0.84 -0.75 4.56 4.40 2cmzB1 TYR 21 HB2 -0.20 -0.08 -0.09 -0.04 3.06 2.65 2cmzB1 TYR 21 HB3 -0.28 0.13 0.14 -0.04 2.98 2.92 2cmzB1 TYR 21 HD2 -0.34 0.03 0.00 -0.04 7.15 6.80 2cmzB1 TYR 21 HE2 -0.23 0.00 -0.05 -0.04 6.85 6.53 2cmzB1 HIS 22 H -0.43 0.20 -0.14 -0.55 8.41 7.50 2cmzB1 HIS 22 HA -2.12 0.21 0.81 -0.75 4.63 2.78 2cmzB1 HIS 22 HB2 -0.65 -0.03 0.07 -0.04 3.26 2.61 2cmzB1 HIS 22 HB3 -1.80 0.02 0.03 -0.04 3.20 1.41 2cmzB1 HIS 22 HD2 -0.31 -0.05 -0.11 -0.04 6.97 6.46 2cmzB1 HIS 22 HE1 -0.16 -0.03 -0.01 -0.04 7.75 7.51 2cmzB1 TYR 23 H -0.41 0.14 -0.16 -0.55 8.29 7.31 2cmzB1 TYR 23 HA -0.06 -0.01 0.39 -0.75 4.56 4.13 2cmzB1 TYR 23 HB2 -0.42 -0.05 0.03 -0.04 3.06 2.59 2cmzB1 TYR 23 HB3 0.14 0.02 0.04 -0.04 2.98 3.14 2cmzB1 TYR 23 HD2 0.22 0.01 -0.12 -0.04 7.15 7.23 2cmzB1 TYR 23 HE2 0.12 0.08 -0.08 -0.04 6.85 6.93 2cmzB1 CYS 24 H -0.44 0.14 0.19 -0.55 8.50 7.85 2cmzB1 CYS 24 HA -0.08 0.33 0.72 -0.75 4.58 4.79 2cmzB1 CYS 24 HB2 0.02 -0.03 0.08 -0.04 2.97 3.00 2cmzB1 CYS 24 HB3 0.10 -0.12 0.04 -0.04 2.97 2.95 2cmzB1 PRO 25 HA 0.02 0.08 0.48 -0.51 4.44 4.51 2cmzB1 PRO 25 HB2 0.07 -0.03 -0.01 -0.04 2.28 2.26 2cmzB1 PRO 25 HB3 0.08 -0.13 0.09 -0.04 2.02 2.02 2cmzB1 PRO 25 HG2 0.06 0.12 -0.06 -0.04 2.03 2.11 2cmzB1 PRO 25 HG3 0.15 0.23 -0.66 -0.04 2.03 1.71 2cmzB1 PRO 25 HD2 0.02 0.07 0.21 -0.04 3.68 3.95 2cmzB1 PRO 25 HD3 0.08 0.34 0.06 -0.04 3.65 4.09 2cmzB1 SER 26 H 0.14 0.18 -0.25 -0.55 8.46 7.99 2cmzB1 SER 26 HA 0.20 0.07 0.39 -0.75 4.49 4.40 2cmzB1 SER 26 HB2 0.57 -0.02 0.15 -0.04 3.95 4.61 2cmzB1 SER 26 HB3 0.28 0.03 0.08 -0.04 3.93 4.28 2cmzB1 SER 27 H -0.00 0.54 -0.70 -0.55 8.46 7.76 2cmzB1 SER 27 HA -0.09 0.05 0.40 -0.75 4.49 4.10 2cmzB1 SER 27 HB2 -0.22 -0.04 0.11 -0.04 3.95 3.75 2cmzB1 SER 27 HB3 -0.18 -0.05 0.16 -0.04 3.93 3.82 2cmzB1 SER 28 H 0.13 0.33 -0.21 -0.55 8.46 8.16 2cmzB1 SER 28 HA 0.09 0.17 0.72 -0.75 4.49 4.71 2cmzB1 SER 28 HB2 0.08 -0.03 0.15 -0.04 3.95 4.11 2cmzB1 SER 28 HB3 0.12 0.01 0.07 -0.04 3.93 4.08 2cmzB1 ASP 29 H 0.33 0.39 -0.43 -0.55 8.40 8.14 2cmzB1 ASP 29 HA 0.01 0.04 0.50 -0.75 4.63 4.44 2cmzB1 ASP 29 HB2 0.06 0.02 0.13 -0.04 2.71 2.88 2cmzB1 ASP 29 HB3 0.10 0.08 0.20 -0.04 2.70 3.04 2cmzB1 LEU 30 H -0.11 0.21 0.21 -0.55 8.37 8.14 2cmzB1 LEU 30 HA -0.17 0.30 0.15 -0.75 4.35 3.87 2cmzB1 LEU 30 HB2 -0.45 -0.03 0.06 -0.04 1.64 1.18 2cmzB1 LEU 30 HB3 -1.13 -0.03 -0.01 -0.04 1.64 0.43 2cmzB1 LEU 30 HG -0.10 0.14 0.06 -0.04 1.64 1.71 2cmzB1 LEU 30 HD13 0.01 -0.01 -0.00 -0.04 0.93 0.88 2cmzB1 LEU 30 HD23 -0.13 0.05 0.03 -0.04 0.89 0.81 2cmzB1 ASN 31 H -0.22 0.01 -0.48 -0.55 8.53 7.29 2cmzB1 ASN 31 HA -0.21 0.09 0.44 -0.75 4.76 4.33 2cmzB1 ASN 31 HB2 -0.33 -0.00 -0.04 -0.04 2.88 2.47 2cmzB1 ASN 31 HB3 -0.16 0.03 -0.02 -0.04 2.79 2.59 2cmzB1 ASN 31 HD21 -0.06 -0.01 0.01 -0.04 7.03 6.93 2cmzB1 ASN 31 HD22 -0.18 -0.01 -0.02 -0.04 7.74 7.50 2cmzB1 TRP 32 H 0.05 0.30 -0.19 -0.55 7.97 7.59 2cmzB1 TRP 32 HA -0.16 0.21 0.71 -0.75 4.62 4.63 2cmzB1 TRP 32 HB2 -0.29 -0.01 0.12 -0.04 3.23 3.01 2cmzB1 TRP 32 HB3 -0.19 -0.00 -0.13 -0.04 3.23 2.87 2cmzB1 TRP 32 HD1 -0.53 0.20 0.00 -0.04 7.22 6.85 2cmzB1 TRP 32 HE1 -0.06 0.43 0.10 -0.04 10.20 10.63 2cmzB1 TRP 32 HE3 -0.19 0.00 -0.04 -0.04 7.59 7.32 2cmzB1 TRP 32 HZ2 -0.06 -0.04 -0.02 -0.04 7.44 7.27 2cmzB1 TRP 32 HZ3 -0.19 -0.02 -0.05 -0.04 7.13 6.83 2cmzB1 TRP 32 HH2 -0.19 -0.01 -0.09 -0.04 7.19 6.86 2cmzB1 HIS 33 H 0.16 0.51 0.01 -0.55 8.41 8.55 2cmzB1 HIS 33 HA -0.00 0.20 0.86 -0.75 4.63 4.93 2cmzB1 HIS 33 HB2 0.06 0.03 0.03 -0.04 3.26 3.34 2cmzB1 HIS 33 HB3 -0.01 -0.04 0.05 -0.04 3.20 3.15 2cmzB1 HIS 33 HD2 -0.18 0.02 0.01 -0.04 6.97 6.79 2cmzB1 HIS 33 HE1 -0.36 -0.07 -0.17 -0.04 7.75 7.11 2cmzB1 ASN 34 H 0.03 0.27 -0.14 -0.55 8.53 8.14 2cmzB1 ASN 34 HA 0.01 0.10 -0.22 -0.75 4.76 3.90 2cmzB1 ASN 34 HB2 -0.04 -0.17 0.13 -0.04 2.88 2.76 2cmzB1 ASN 34 HB3 -0.13 0.15 0.24 -0.04 2.79 3.00 2cmzB1 ASN 34 HD21 -0.69 -0.03 -0.13 -0.04 7.03 6.13 2cmzB1 ASN 34 HD22 -0.53 -0.06 -0.06 -0.04 7.74 7.04 2cmzB1 ASP 35 H 0.01 0.14 0.03 -0.55 8.40 8.04 2cmzB1 ASP 35 HA 0.02 0.10 0.52 -0.75 4.63 4.52 2cmzB1 ASP 35 HB2 0.02 -0.04 0.05 -0.04 2.71 2.70 2cmzB1 ASP 35 HB3 0.02 0.00 -0.06 -0.04 2.70 2.62 2cmzB1 LEU 36 H 0.03 -0.02 -0.47 -0.55 8.37 7.36 2cmzB1 LEU 36 HA 0.04 0.15 0.33 -0.75 4.35 4.12 2cmzB1 LEU 36 HB2 0.14 0.01 -0.22 -0.04 1.64 1.52 2cmzB1 LEU 36 HB3 0.08 -0.06 -0.31 -0.04 1.64 1.30 2cmzB1 LEU 36 HG 0.04 -0.08 -0.17 -0.04 1.64 1.38 2cmzB1 LEU 36 HD13 0.06 0.01 -0.38 -0.04 0.93 0.58 2cmzB1 LEU 36 HD23 0.02 -0.02 -0.26 -0.04 0.89 0.59 2cmzB1 ILE 37 H 0.02 0.56 0.21 -0.55 8.25 8.48 2cmzB1 ILE 37 HA 0.06 0.14 0.77 -0.75 4.18 4.40 2cmzB1 ILE 37 HB -0.02 -0.09 0.01 -0.04 1.89 1.75 2cmzB1 ILE 37 HG12 0.01 -0.01 -0.06 -0.04 1.49 1.39 2cmzB1 ILE 37 HG13 0.02 0.02 -0.25 -0.04 1.21 0.96 2cmzB1 ILE 37 HG23 -0.03 0.03 -0.06 -0.04 0.93 0.84 2cmzB1 ILE 37 HD13 0.00 0.02 -0.07 -0.04 0.88 0.79 2cmzB1 GLY 38 H -0.10 0.16 0.11 -0.55 8.43 8.06 2cmzB1 GLY 38 HA2 -0.78 0.22 0.49 -0.51 4.01 3.43 2cmzB1 GLY 38 HA3 -0.98 -0.02 0.14 -0.51 4.01 2.64 2cmzB1 THR 39 H -0.33 0.47 0.22 -0.55 8.28 8.09 2cmzB1 THR 39 HA -0.11 0.03 0.51 -0.75 4.39 4.07 2cmzB1 THR 39 HB -0.05 0.15 0.02 -0.04 4.32 4.39 2cmzB1 THR 39 HG23 0.06 0.04 -0.13 -0.04 1.22 1.15 2cmzB1 ALA 40 H -0.05 0.10 0.14 -0.55 8.40 8.05 2cmzB1 ALA 40 HA -0.04 0.18 0.48 -0.75 4.34 4.20 2cmzB1 ALA 40 HB3 -0.03 -0.01 0.07 -0.04 1.41 1.40 2cmzB1 ILE 41 H -0.03 0.50 0.33 -0.55 8.25 8.51 2cmzB1 ILE 41 HA -0.01 0.01 0.74 -0.75 4.18 4.17 2cmzB1 ILE 41 HB 0.02 0.07 0.05 -0.04 1.89 1.99 2cmzB1 ILE 41 HG12 -0.05 0.14 -0.24 -0.04 1.49 1.30 2cmzB1 ILE 41 HG13 -0.01 -0.08 0.06 -0.04 1.21 1.14 2cmzB1 ILE 41 HG23 0.07 -0.01 -0.04 -0.04 0.93 0.91 2cmzB1 ILE 41 HD13 0.05 -0.01 -0.07 -0.04 0.88 0.82 2cmzB1 GLN 42 H -0.02 0.08 0.16 -0.55 8.47 8.14 2cmzB1 GLN 42 HA -0.05 0.19 0.64 -0.75 4.36 4.39 2cmzB1 GLN 42 HB2 -0.02 -0.10 0.20 -0.04 2.15 2.19 2cmzB1 GLN 42 HB3 -0.03 0.03 0.03 -0.04 2.02 2.02 2cmzB1 GLN 42 HG2 -0.02 -0.02 0.03 -0.04 2.40 2.35 2cmzB1 GLN 42 HG3 -0.01 -0.00 0.04 -0.04 2.39 2.38 2cmzB1 GLN 42 HE21 -0.02 0.03 0.00 -0.04 6.97 6.94 2cmzB1 GLN 42 HE22 -0.02 -0.04 0.01 -0.04 7.69 7.60 2cmzB1 VAL 43 H -0.06 0.41 0.45 -0.55 8.24 8.50 2cmzB1 VAL 43 HA -0.07 0.14 0.83 -0.75 4.13 4.27 2cmzB1 VAL 43 HB -0.19 0.03 -0.17 -0.04 2.12 1.74 2cmzB1 VAL 43 HG13 -0.18 0.01 -0.28 -0.04 0.97 0.48 2cmzB1 VAL 43 HG23 -0.40 0.01 -0.28 -0.04 0.95 0.24 2cmzB1 LYS 44 H -0.07 0.75 0.36 -0.55 8.42 8.90 2cmzB1 LYS 44 HA -0.04 0.38 0.67 -0.75 4.32 4.57 2cmzB1 LYS 44 HB2 -0.02 -0.03 -0.09 -0.04 1.87 1.69 2cmzB1 LYS 44 HB3 -0.02 0.02 -0.27 -0.04 1.79 1.49 2cmzB1 LYS 44 HG2 -0.06 -0.05 -0.27 -0.04 1.46 1.05 2cmzB1 LYS 44 HG3 -0.07 0.01 -0.13 -0.04 1.46 1.23 2cmzB1 LYS 44 HD2 -0.03 0.04 -0.10 -0.04 1.69 1.56 2cmzB1 LYS 44 HD3 -0.03 0.02 -0.14 -0.04 1.68 1.48 2cmzB1 LYS 44 HE2 -0.03 0.01 -0.14 -0.04 2.99 2.79 2cmzB1 LYS 44 HE3 -0.02 -0.02 -0.04 -0.04 2.99 2.86 2cmzB1 MET 45 H -0.02 0.34 0.19 -0.55 8.47 8.43 2cmzB1 MET 45 HA 0.11 0.25 1.06 -0.75 4.52 5.18 2cmzB1 MET 45 HB2 -0.07 -0.10 -0.16 -0.04 2.15 1.78 2cmzB1 MET 45 HB3 -0.09 0.00 -0.09 -0.04 2.03 1.80 2cmzB1 MET 45 HG2 0.06 0.12 0.12 -0.04 2.63 2.89 2cmzB1 MET 45 HG3 0.10 0.12 0.18 -0.04 2.56 2.92 2cmzB1 MET 45 HE3 0.05 0.01 -0.07 -0.04 2.10 2.05 2cmzB1 PRO 46 HA 0.10 0.37 0.76 -0.51 4.44 5.16 2cmzB1 PRO 46 HB2 0.08 -0.01 0.06 -0.04 2.28 2.37 2cmzB1 PRO 46 HB3 -0.11 0.01 0.05 -0.04 2.02 1.92 2cmzB1 PRO 46 HG2 -0.18 0.02 0.07 -0.04 2.03 1.89 2cmzB1 PRO 46 HG3 -0.25 -0.01 -0.01 -0.04 2.03 1.71 2cmzB1 PRO 46 HD2 0.13 0.15 0.34 -0.04 3.68 4.27 2cmzB1 PRO 46 HD3 0.38 0.11 0.28 -0.04 3.65 4.37 2cmzB1 LYS 47 H 0.08 0.60 0.40 -0.55 8.42 8.95 2cmzB1 LYS 47 HA 0.08 0.04 0.66 -0.75 4.32 4.35 2cmzB1 LYS 47 HB2 0.04 -0.01 0.12 -0.04 1.87 1.98 2cmzB1 LYS 47 HB3 0.08 -0.01 0.12 -0.04 1.79 1.95 2cmzB1 LYS 47 HG2 0.11 0.02 0.07 -0.04 1.46 1.62 2cmzB1 LYS 47 HG3 0.07 -0.08 0.07 -0.04 1.46 1.48 2cmzB1 LYS 47 HD2 0.08 0.01 -0.10 -0.04 1.69 1.64 2cmzB1 LYS 47 HD3 0.07 -0.01 0.01 -0.04 1.68 1.71 2cmzB1 LYS 47 HE2 0.04 -0.07 0.02 -0.04 2.99 2.94 2cmzB1 LYS 47 HE3 0.03 0.03 0.02 -0.04 2.99 3.03 2cmzB1 SER 48 H 0.11 0.12 0.12 -0.55 8.46 8.26 2cmzB1 SER 48 HA 0.15 0.09 0.51 -0.75 4.49 4.49 2cmzB1 SER 48 HB2 0.03 0.09 -0.11 -0.04 3.95 3.92 2cmzB1 SER 48 HB3 0.06 -0.10 0.06 -0.04 3.93 3.91 2cmzB1 HIS 49 H -0.06 0.26 0.19 -0.55 8.41 8.26 2cmzB1 HIS 49 HA 0.05 0.04 0.74 -0.75 4.63 4.70 2cmzB1 HIS 49 HB2 0.01 0.05 0.02 -0.04 3.26 3.31 2cmzB1 HIS 49 HB3 0.04 0.08 -0.34 -0.04 3.20 2.93 2cmzB1 HIS 49 HD2 -0.07 0.25 -0.41 -0.04 6.97 6.70 2cmzB1 HIS 49 HE1 -0.46 -0.02 -0.03 -0.04 7.75 7.20 2cmzB1 LYS 50 H 0.09 0.10 0.14 -0.55 8.42 8.19 2cmzB1 LYS 50 HA -0.00 0.09 0.78 -0.75 4.32 4.43 2cmzB1 LYS 50 HB2 0.03 0.00 0.13 -0.04 1.87 2.00 2cmzB1 LYS 50 HB3 0.02 0.03 0.07 -0.04 1.79 1.87 2cmzB1 LYS 50 HG2 0.01 0.01 0.08 -0.04 1.46 1.52 2cmzB1 LYS 50 HG3 0.02 -0.02 0.03 -0.04 1.46 1.44 2cmzB1 LYS 50 HD2 0.01 0.00 0.03 -0.04 1.69 1.68 2cmzB1 LYS 50 HD3 0.00 0.01 0.03 -0.04 1.68 1.68 2cmzB1 LYS 50 HE2 0.01 0.00 0.02 -0.04 2.99 2.98 2cmzB1 LYS 50 HE3 0.01 0.00 0.01 -0.04 2.99 2.96 2cmzB1 ALA 51 H 0.00 0.05 0.13 -0.55 8.40 8.04 2cmzB1 ALA 51 HA 0.03 0.03 0.32 -0.75 4.34 3.97 2cmzB1 ALA 51 HB3 -0.02 0.01 0.10 -0.04 1.41 1.45 2cmzB1 ILE 52 H -0.00 0.09 0.19 -0.55 8.25 7.98 2cmzB1 ILE 52 HA -0.01 0.18 0.72 -0.75 4.18 4.32 2cmzB1 ILE 52 HB -0.00 -0.11 0.08 -0.04 1.89 1.81 2cmzB1 ILE 52 HG12 -0.05 0.13 -0.08 -0.04 1.49 1.45 2cmzB1 ILE 52 HG13 -0.05 -0.08 0.05 -0.04 1.21 1.09 2cmzB1 ILE 52 HG23 0.00 0.01 -0.17 -0.04 0.93 0.74 2cmzB1 ILE 52 HD13 -0.18 0.02 -0.10 -0.04 0.88 0.58 2cmzB1 GLN 53 H -0.03 0.22 0.17 -0.55 8.47 8.29 2cmzB1 GLN 53 HA -0.04 0.24 0.86 -0.75 4.36 4.67 2cmzB1 GLN 53 HB2 -0.17 0.01 0.04 -0.04 2.15 2.00 2cmzB1 GLN 53 HB3 -0.11 -0.01 0.16 -0.04 2.02 2.02 2cmzB1 GLN 53 HG2 -0.14 -0.04 -0.37 -0.04 2.40 1.81 2cmzB1 GLN 53 HG3 -0.57 0.02 -0.07 -0.04 2.39 1.73 2cmzB1 GLN 53 HE21 -0.11 0.01 -0.04 -0.04 6.97 6.79 2cmzB1 GLN 53 HE22 -0.09 -0.05 -0.12 -0.04 7.69 7.39 2cmzB1 ALA 54 H 0.11 0.86 0.23 -0.55 8.40 9.05 2cmzB1 ALA 54 HA 0.15 0.13 0.92 -0.75 4.34 4.79 2cmzB1 ALA 54 HB3 0.35 0.00 -0.06 -0.04 1.41 1.67 2cmzB1 ASP 55 H 0.14 0.16 0.16 -0.55 8.40 8.31 2cmzB1 ASP 55 HA 0.05 0.04 0.55 -0.75 4.63 4.52 2cmzB1 ASP 55 HB2 0.13 -0.04 0.16 -0.04 2.71 2.92 2cmzB1 ASP 55 HB3 -0.10 0.05 0.01 -0.04 2.70 2.62 2cmzB1 GLY 56 H -0.16 0.15 0.08 -0.55 8.43 7.96 2cmzB1 GLY 56 HA2 -0.58 0.01 0.66 -0.51 4.01 3.60 2cmzB1 GLY 56 HA3 -0.61 0.10 0.38 -0.51 4.01 3.38 2cmzB1 TRP 57 H -0.89 0.67 0.31 -0.55 7.97 7.52 2cmzB1 TRP 57 HA -0.15 0.22 0.90 -0.75 4.62 4.84 2cmzB1 TRP 57 HB2 -0.39 -0.05 0.07 -0.04 3.23 2.82 2cmzB1 TRP 57 HB3 -0.27 0.03 -0.15 -0.04 3.23 2.79 2cmzB1 TRP 57 HD1 -0.35 0.06 -0.26 -0.04 7.22 6.63 2cmzB1 TRP 57 HE1 -0.18 0.00 -0.15 -0.04 10.20 9.83 2cmzB1 TRP 57 HE3 -0.19 -0.05 -0.42 -0.04 7.59 6.89 2cmzB1 TRP 57 HZ2 -0.09 0.01 -0.07 -0.04 7.44 7.25 2cmzB1 TRP 57 HZ3 -0.16 0.06 -0.11 -0.04 7.13 6.88 2cmzB1 TRP 57 HH2 -0.09 0.03 -0.07 -0.04 7.19 7.02 2cmzB1 MET 58 H 0.12 0.58 0.23 -0.55 8.47 8.85 2cmzB1 MET 58 HA 0.13 0.20 0.88 -0.75 4.52 4.98 2cmzB1 MET 58 HB2 0.02 0.04 0.19 -0.04 2.15 2.37 2cmzB1 MET 58 HB3 -0.01 -0.01 -0.03 -0.04 2.03 1.94 2cmzB1 MET 58 HG2 -0.22 -0.00 -0.03 -0.04 2.63 2.34 2cmzB1 MET 58 HG3 -0.24 -0.02 -0.03 -0.04 2.56 2.22 2cmzB1 MET 58 HE3 -0.60 -0.02 -0.12 -0.04 2.10 1.32 2cmzB1 CYS 59 H 0.09 0.88 0.38 -0.55 8.50 9.30 2cmzB1 CYS 59 HA -0.06 0.29 1.09 -0.75 4.58 5.15 2cmzB1 CYS 59 HB2 -0.26 -0.00 -0.06 -0.04 2.97 2.61 2cmzB1 CYS 59 HB3 0.01 -0.04 0.08 -0.04 2.97 2.97 2cmzB1 HIS 60 H -0.00 0.81 0.29 -0.55 8.41 8.96 2cmzB1 HIS 60 HA -0.07 0.16 0.88 -0.75 4.63 4.84 2cmzB1 HIS 60 HB2 -0.03 -0.00 -0.30 -0.04 3.26 2.88 2cmzB1 HIS 60 HB3 -0.03 -0.01 -0.06 -0.04 3.20 3.06 2cmzB1 HIS 60 HD2 0.04 -0.04 -0.31 -0.04 6.97 6.61 2cmzB1 HIS 60 HE1 0.00 -0.08 -0.02 -0.04 7.75 7.61 2cmzB1 ALA 61 H -0.58 0.31 0.21 -0.55 8.40 7.80 2cmzB1 ALA 61 HA -0.14 0.30 1.21 -0.75 4.34 4.96 2cmzB1 ALA 61 HB3 -0.66 -0.00 -0.10 -0.04 1.41 0.61 2cmzB1 SER 62 H 0.17 0.61 0.32 -0.55 8.46 9.02 2cmzB1 SER 62 HA 0.22 0.14 0.81 -0.75 4.49 4.90 2cmzB1 SER 62 HB2 0.57 0.01 -0.00 -0.04 3.95 4.49 2cmzB1 SER 62 HB3 0.14 0.03 -0.19 -0.04 3.93 3.87 2cmzB1 LYS 63 H 0.34 0.75 0.25 -0.55 8.42 9.21 2cmzB1 LYS 63 HA 0.28 0.24 1.04 -0.75 4.32 5.13 2cmzB1 LYS 63 HB2 -0.09 -0.03 0.05 -0.04 1.87 1.76 2cmzB1 LYS 63 HB3 0.06 -0.05 0.17 -0.04 1.79 1.93 2cmzB1 LYS 63 HG2 0.09 0.07 -0.19 -0.04 1.46 1.39 2cmzB1 LYS 63 HG3 -0.02 -0.03 -0.09 -0.04 1.46 1.29 2cmzB1 LYS 63 HD2 -0.02 -0.02 -0.08 -0.04 1.69 1.53 2cmzB1 LYS 63 HD3 -0.00 -0.01 -0.13 -0.04 1.68 1.50 2cmzB1 LYS 63 HE2 -0.15 -0.01 -0.09 -0.04 2.99 2.70 2cmzB1 LYS 63 HE3 -0.23 0.00 -0.06 -0.04 2.99 2.66 2cmzB1 TRP 64 H 0.43 0.78 0.33 -0.55 7.97 8.96 2cmzB1 TRP 64 HA 0.04 0.19 0.96 -0.75 4.62 5.06 2cmzB1 TRP 64 HB2 -0.15 0.04 0.13 -0.04 3.23 3.20 2cmzB1 TRP 64 HB3 -0.55 -0.01 -0.08 -0.04 3.23 2.56 2cmzB1 TRP 64 HD1 -0.01 -0.01 -0.43 -0.04 7.22 6.73 2cmzB1 TRP 64 HE1 0.01 0.00 -0.10 -0.04 10.20 10.08 2cmzB1 TRP 64 HE3 -2.27 0.01 -0.27 -0.04 7.59 5.03 2cmzB1 TRP 64 HZ2 -0.00 0.01 -0.08 -0.04 7.44 7.32 2cmzB1 TRP 64 HZ3 -0.32 -0.01 -0.08 -0.04 7.13 6.69 2cmzB1 TRP 64 HH2 -0.04 0.02 -0.07 -0.04 7.19 7.06 2cmzB1 VAL 65 H 0.38 0.60 0.37 -0.55 8.24 9.04 2cmzB1 VAL 65 HA 0.21 0.44 1.28 -0.75 4.13 5.31 2cmzB1 VAL 65 HB 0.12 -0.08 0.07 -0.04 2.12 2.19 2cmzB1 VAL 65 HG13 0.08 -0.01 -0.23 -0.04 0.97 0.76 2cmzB1 VAL 65 HG23 0.09 -0.00 -0.28 -0.04 0.95 0.72 2cmzB1 THR 66 H 0.18 0.56 0.34 -0.55 8.28 8.81 2cmzB1 THR 66 HA 0.04 0.23 1.04 -0.75 4.39 4.95 2cmzB1 THR 66 HB 0.09 -0.02 0.01 -0.04 4.32 4.36 2cmzB1 THR 66 HG23 0.02 -0.03 -0.15 -0.04 1.22 1.02 2cmzB1 THR 67 H 0.00 0.73 0.31 -0.55 8.28 8.77 2cmzB1 THR 67 HA 0.03 0.28 1.08 -0.75 4.39 5.03 2cmzB1 THR 67 HB 0.01 -0.06 0.06 -0.04 4.32 4.29 2cmzB1 THR 67 HG23 0.03 -0.01 -0.27 -0.04 1.22 0.93 2cmzB1 CYS 68 H 0.03 0.57 0.29 -0.55 8.50 8.85 2cmzB1 CYS 68 HA 0.01 0.22 0.94 -0.75 4.58 5.00 2cmzB1 CYS 68 HB2 -0.00 -0.08 -0.10 -0.04 2.97 2.75 2cmzB1 CYS 68 HB3 0.04 0.25 0.26 -0.04 2.97 3.48 2cmzB1 ASP 69 H 0.06 0.77 0.24 -0.55 8.40 8.93 2cmzB1 ASP 69 HA 0.09 0.15 0.86 -0.75 4.63 4.97 2cmzB1 ASP 69 HB2 0.08 0.00 0.06 -0.04 2.71 2.82 2cmzB1 ASP 69 HB3 0.16 -0.01 0.27 -0.04 2.70 3.08 2cmzB1 PHE 70 H 0.19 0.60 0.00 -0.55 8.34 8.58 2cmzB1 PHE 70 HA -0.08 0.12 0.72 -0.75 4.62 4.62 2cmzB1 PHE 70 HB2 0.00 -0.05 -0.02 -0.04 3.15 3.04 2cmzB1 PHE 70 HB3 0.00 0.07 0.20 -0.04 3.06 3.29 2cmzB1 PHE 70 HD2 0.01 0.07 -0.44 -0.04 7.28 6.88 2cmzB1 PHE 70 HE2 0.05 0.12 -0.06 -0.04 7.38 7.45 2cmzB1 PHE 70 HZ 0.02 -0.01 -0.04 -0.04 7.32 7.25 2cmzB1 ARG 71 H 0.02 0.70 0.19 -0.55 8.46 8.82 2cmzB1 ARG 71 HA -0.06 -0.01 0.30 -0.75 4.34 3.81 2cmzB1 ARG 71 HB2 -0.66 0.05 -0.03 -0.04 1.90 1.22 2cmzB1 ARG 71 HB3 -1.10 -0.15 0.01 -0.04 1.80 0.51 2cmzB1 ARG 71 HG2 -0.01 0.16 0.00 -0.04 1.67 1.78 2cmzB1 ARG 71 HG3 -0.14 -0.03 -0.03 -0.04 1.67 1.43 2cmzB1 ARG 71 HD2 0.12 -0.03 -0.02 -0.04 3.22 3.25 2cmzB1 ARG 71 HD3 0.05 -0.03 -0.08 -0.04 3.22 3.13 2cmzB1 TRP 72 H 0.08 0.15 0.16 -0.55 7.97 7.82 2cmzB1 TRP 72 HA -0.49 0.10 0.51 -0.75 4.62 3.98 2cmzB1 TRP 72 HB2 -0.09 0.04 0.09 -0.04 3.23 3.23 2cmzB1 TRP 72 HB3 -0.21 0.05 0.17 -0.04 3.23 3.21 2cmzB1 TRP 72 HD1 0.06 0.02 0.08 -0.04 7.22 7.34 2cmzB1 TRP 72 HE1 0.14 0.02 0.01 -0.04 10.20 10.32 2cmzB1 TRP 72 HE3 0.13 0.02 -0.28 -0.04 7.59 7.42 2cmzB1 TRP 72 HZ2 -0.02 0.00 -0.01 -0.04 7.44 7.37 2cmzB1 TRP 72 HZ3 0.09 0.01 -0.05 -0.04 7.13 7.14 2cmzB1 TRP 72 HH2 0.00 0.01 -0.01 -0.04 7.19 7.14 2cmzB1 TYR 73 H -1.05 0.02 -0.25 -0.55 8.29 6.47 2cmzB1 TYR 73 HA -0.23 0.18 0.62 -0.75 4.56 4.38 2cmzB1 TYR 73 HB2 -0.54 0.03 0.15 -0.04 3.06 2.66 2cmzB1 TYR 73 HB3 -1.99 -0.01 0.03 -0.04 2.98 0.98 2cmzB1 TYR 73 HD2 -1.30 -0.01 -0.02 -0.04 7.15 5.77 2cmzB1 TYR 73 HE2 -0.17 0.00 -0.02 -0.04 6.85 6.63 2cmzB1 GLY 74 H -0.20 0.37 -0.63 -0.55 8.43 7.42 2cmzB1 GLY 74 HA2 0.10 0.00 0.19 -0.51 4.01 3.79 2cmzB1 GLY 74 HA3 -0.05 0.18 0.86 -0.51 4.01 4.49 2cmzB1 PRO 75 HA -0.26 0.02 0.32 -0.51 4.44 4.01 2cmzB1 PRO 75 HB2 -0.50 -0.04 -0.03 -0.04 2.28 1.68 2cmzB1 PRO 75 HB3 -0.49 0.07 0.03 -0.04 2.02 1.58 2cmzB1 PRO 75 HG2 -0.06 0.02 -0.00 -0.04 2.03 1.94 2cmzB1 PRO 75 HG3 -0.11 0.06 0.04 -0.04 2.03 1.98 2cmzB1 PRO 75 HD2 -0.87 -0.05 -0.18 -0.04 3.68 2.54 2cmzB1 PRO 75 HD3 -0.19 0.31 -0.08 -0.04 3.65 3.65 2cmzB1 LYS 76 H -0.37 0.16 0.20 -0.55 8.42 7.85 2cmzB1 LYS 76 HA -0.23 0.25 1.03 -0.75 4.32 4.62 2cmzB1 LYS 76 HB2 -0.31 -0.03 0.10 -0.04 1.87 1.60 2cmzB1 LYS 76 HB3 -0.28 -0.01 -0.09 -0.04 1.79 1.37 2cmzB1 LYS 76 HG2 -1.12 0.02 -0.06 -0.04 1.46 0.26 2cmzB1 LYS 76 HG3 -0.61 0.03 -0.01 -0.04 1.46 0.83 2cmzB1 LYS 76 HD2 -0.36 -0.02 -0.05 -0.04 1.69 1.22 2cmzB1 LYS 76 HD3 -0.56 -0.03 -0.09 -0.04 1.68 0.96 2cmzB1 LYS 76 HE2 -1.43 0.04 -0.06 -0.04 2.99 1.50 2cmzB1 LYS 76 HE3 -0.43 -0.00 -0.03 -0.04 2.99 2.48 2cmzB1 TYR 77 H -0.04 0.68 0.23 -0.55 8.29 8.61 2cmzB1 TYR 77 HA -0.05 0.15 0.97 -0.75 4.56 4.88 2cmzB1 TYR 77 HB2 -0.02 -0.02 0.18 -0.04 3.06 3.15 2cmzB1 TYR 77 HB3 -0.03 0.02 0.02 -0.04 2.98 2.95 2cmzB1 TYR 77 HD2 -0.03 0.03 0.00 -0.04 7.15 7.11 2cmzB1 TYR 77 HE2 -0.03 -0.01 -0.05 -0.04 6.85 6.73 2cmzB1 ILE 78 H 0.04 0.21 0.12 -0.55 8.25 8.07 2cmzB1 ILE 78 HA 0.00 0.43 1.17 -0.75 4.18 5.04 2cmzB1 ILE 78 HB -0.03 -0.02 0.11 -0.04 1.89 1.91 2cmzB1 ILE 78 HG12 -0.04 0.02 -0.13 -0.04 1.49 1.30 2cmzB1 ILE 78 HG13 -0.07 -0.13 -0.44 -0.04 1.21 0.53 2cmzB1 ILE 78 HG23 -0.04 0.00 -0.15 -0.04 0.93 0.71 2cmzB1 ILE 78 HD13 -0.08 0.00 -0.08 -0.04 0.88 0.68 2cmzB1 THR 79 H -0.01 0.63 0.38 -0.55 8.28 8.73 2cmzB1 THR 79 HA -0.07 0.21 1.00 -0.75 4.39 4.77 2cmzB1 THR 79 HB -0.05 0.01 0.08 -0.04 4.32 4.32 2cmzB1 THR 79 HG23 -0.01 -0.00 -0.17 -0.04 1.22 0.99 2cmzB1 GLN 80 H -0.16 0.22 0.21 -0.55 8.47 8.20 2cmzB1 GLN 80 HA -0.22 0.37 1.08 -0.75 4.36 4.83 2cmzB1 GLN 80 HB2 -0.58 -0.04 0.07 -0.04 2.15 1.56 2cmzB1 GLN 80 HB3 -1.76 0.00 0.01 -0.04 2.02 0.23 2cmzB1 GLN 80 HG2 -0.79 0.04 0.01 -0.04 2.40 1.62 2cmzB1 GLN 80 HG3 -0.32 0.07 -0.35 -0.04 2.39 1.75 2cmzB1 GLN 80 HE21 -0.03 -0.00 -0.07 -0.04 6.97 6.83 2cmzB1 GLN 80 HE22 -0.06 0.05 -0.09 -0.04 7.69 7.55 2cmzB1 SER 81 H 0.09 0.60 0.37 -0.55 8.46 8.98 2cmzB1 SER 81 HA -0.00 0.16 0.86 -0.75 4.49 4.76 2cmzB1 SER 81 HB2 0.01 0.00 0.06 -0.04 3.95 3.98 2cmzB1 SER 81 HB3 0.00 0.01 -0.14 -0.04 3.93 3.76 2cmzB1 ILE 82 H -0.03 0.21 0.14 -0.55 8.25 8.03 2cmzB1 ILE 82 HA -0.14 0.33 1.07 -0.75 4.18 4.69 2cmzB1 ILE 82 HB -0.21 -0.03 0.09 -0.04 1.89 1.70 2cmzB1 ILE 82 HG12 -1.61 0.03 -0.09 -0.04 1.49 -0.23 2cmzB1 ILE 82 HG13 -0.23 -0.04 -0.54 -0.04 1.21 0.36 2cmzB1 ILE 82 HG23 -0.31 -0.01 -0.24 -0.04 0.93 0.33 2cmzB1 ILE 82 HD13 -0.79 0.00 -0.10 -0.04 0.88 -0.06 2cmzB1 ARG 83 H 0.02 0.68 0.25 -0.55 8.46 8.85 2cmzB1 ARG 83 HA 0.04 0.11 0.93 -0.75 4.34 4.66 2cmzB1 ARG 83 HB2 0.06 -0.03 0.14 -0.04 1.90 2.02 2cmzB1 ARG 83 HB3 0.05 0.04 0.08 -0.04 1.80 1.93 2cmzB1 ARG 83 HG2 0.03 -0.05 -0.28 -0.04 1.67 1.32 2cmzB1 ARG 83 HG3 0.04 0.06 -0.05 -0.04 1.67 1.68 2cmzB1 ARG 83 HD2 0.02 -0.00 -0.05 -0.04 3.22 3.15 2cmzB1 ARG 83 HD3 0.02 0.02 -0.03 -0.04 3.22 3.19 2cmzB1 SER 84 H 0.07 0.13 0.16 -0.55 8.46 8.28 2cmzB1 SER 84 HA 0.10 0.12 0.69 -0.75 4.49 4.64 2cmzB1 SER 84 HB2 0.13 0.00 0.10 -0.04 3.95 4.14 2cmzB1 SER 84 HB3 0.09 -0.03 0.13 -0.04 3.93 4.08 2cmzB1 PHE 85 H -0.13 0.53 0.32 -0.55 8.34 8.50 2cmzB1 PHE 85 HA -0.00 0.07 0.43 -0.75 4.62 4.36 2cmzB1 PHE 85 HB2 0.00 -0.05 0.12 -0.04 3.15 3.18 2cmzB1 PHE 85 HB3 0.01 0.13 -0.38 -0.04 3.06 2.77 2cmzB1 PHE 85 HD2 0.01 0.01 -0.19 -0.04 7.28 7.06 2cmzB1 PHE 85 HE2 0.03 0.05 -0.40 -0.04 7.38 7.02 2cmzB1 PHE 85 HZ 0.02 -0.05 -0.20 -0.04 7.32 7.04 2cmzB1 THR 86 H 0.31 0.14 0.11 -0.55 8.28 8.29 2cmzB1 THR 86 HA -0.19 0.30 0.96 -0.75 4.39 4.72 2cmzB1 THR 86 HB 0.02 0.02 0.03 -0.04 4.32 4.35 2cmzB1 THR 86 HG23 0.13 -0.03 0.10 -0.04 1.22 1.38 2cmzB1 PRO 87 HA 0.00 0.06 0.53 -0.51 4.44 4.52 2cmzB1 PRO 87 HB2 -0.07 0.04 -0.05 -0.04 2.28 2.16 2cmzB1 PRO 87 HB3 -0.19 -0.01 -0.01 -0.04 2.02 1.77 2cmzB1 PRO 87 HG2 -0.07 0.04 -0.06 -0.04 2.03 1.89 2cmzB1 PRO 87 HG3 -0.19 -0.02 -0.06 -0.04 2.03 1.72 2cmzB1 PRO 87 HD2 -0.13 0.22 0.30 -0.04 3.68 4.03 2cmzB1 PRO 87 HD3 -0.41 0.22 0.32 -0.04 3.65 3.74 2cmzB1 SER 88 H 0.04 0.06 0.14 -0.55 8.46 8.15 2cmzB1 SER 88 HA 0.04 0.26 0.76 -0.75 4.49 4.80 2cmzB1 SER 88 HB2 0.03 0.01 0.15 -0.04 3.95 4.11 2cmzB1 SER 88 HB3 0.05 0.14 0.09 -0.04 3.93 4.17 2cmzB1 VAL 89 H 0.04 0.23 0.14 -0.55 8.24 8.10 2cmzB1 VAL 89 HA 0.11 0.15 0.40 -0.75 4.13 4.04 2cmzB1 VAL 89 HB 0.08 0.04 -0.03 -0.04 2.12 2.17 2cmzB1 VAL 89 HG13 0.05 0.03 0.02 -0.04 0.97 1.04 2cmzB1 VAL 89 HG23 0.04 -0.00 0.09 -0.04 0.95 1.04 2cmzB1 GLU 90 H 0.03 0.10 -0.14 -0.55 8.60 8.04 2cmzB1 GLU 90 HA 0.00 0.11 0.33 -0.75 4.29 3.98 2cmzB1 GLU 90 HB2 0.01 0.03 0.08 -0.04 2.09 2.18 2cmzB1 GLU 90 HB3 0.01 -0.03 0.03 -0.04 1.99 1.96 2cmzB1 GLU 90 HG2 0.00 0.05 -0.01 -0.04 2.34 2.34 2cmzB1 GLU 90 HG3 -0.00 0.02 -0.14 -0.04 2.34 2.18 2cmzB1 GLN 91 H 0.00 0.06 -0.38 -0.55 8.47 7.61 2cmzB1 GLN 91 HA -0.01 0.12 0.57 -0.75 4.36 4.28 2cmzB1 GLN 91 HB2 0.00 0.05 0.13 -0.04 2.15 2.29 2cmzB1 GLN 91 HB3 0.00 0.05 -0.03 -0.04 2.02 2.01 2cmzB1 GLN 91 HG2 0.02 0.08 0.01 -0.04 2.40 2.48 2cmzB1 GLN 91 HG3 0.03 -0.08 0.02 -0.04 2.39 2.32 2cmzB1 GLN 91 HE21 0.13 0.04 -0.03 -0.04 6.97 7.07 2cmzB1 GLN 91 HE22 0.06 0.04 -0.01 -0.04 7.69 7.73 2cmzB1 CYS 92 H -0.05 0.52 -0.11 -0.55 8.50 8.31 2cmzB1 CYS 92 HA -0.20 0.05 0.38 -0.75 4.58 4.05 2cmzB1 CYS 92 HB2 -0.05 0.08 0.13 -0.04 2.97 3.09 2cmzB1 CYS 92 HB3 -0.68 0.00 -0.07 -0.04 2.97 2.18 2cmzB1 LYS 93 H -0.10 0.49 -0.22 -0.55 8.42 8.04 2cmzB1 LYS 93 HA -0.24 0.07 0.43 -0.75 4.32 3.82 2cmzB1 LYS 93 HB2 -0.05 0.04 0.08 -0.04 1.87 1.91 2cmzB1 LYS 93 HB3 -0.07 -0.00 -0.04 -0.04 1.79 1.64 2cmzB1 LYS 93 HG2 -0.01 0.00 -0.03 -0.04 1.46 1.38 2cmzB1 LYS 93 HG3 0.03 0.13 -0.07 -0.04 1.46 1.51 2cmzB1 LYS 93 HD2 0.01 -0.01 -0.05 -0.04 1.69 1.60 2cmzB1 LYS 93 HD3 0.03 0.03 -0.04 -0.04 1.68 1.66 2cmzB1 LYS 93 HE2 0.14 0.01 -0.06 -0.04 2.99 3.03 2cmzB1 LYS 93 HE3 0.07 -0.08 -0.12 -0.04 2.99 2.82 2cmzB1 GLU 94 H -0.08 0.43 -0.17 -0.55 8.60 8.23 2cmzB1 GLU 94 HA -0.07 0.02 0.50 -0.75 4.29 3.98 2cmzB1 GLU 94 HB2 -0.03 0.03 0.18 -0.04 2.09 2.22 2cmzB1 GLU 94 HB3 -0.04 0.12 0.25 -0.04 1.99 2.28 2cmzB1 GLU 94 HG2 -0.00 0.01 -0.04 -0.04 2.34 2.27 2cmzB1 GLU 94 HG3 -0.02 -0.06 -0.12 -0.04 2.34 2.11 2cmzB1 SER 95 H -0.12 0.51 -0.25 -0.55 8.46 8.06 2cmzB1 SER 95 HA 0.09 0.01 0.44 -0.75 4.49 4.27 2cmzB1 SER 95 HB2 -0.19 0.06 0.04 -0.04 3.95 3.83 2cmzB1 SER 95 HB3 -0.31 -0.02 -0.11 -0.04 3.93 3.45 2cmzB1 ILE 96 H -0.40 0.45 -0.20 -0.55 8.25 7.56 2cmzB1 ILE 96 HA -1.10 0.03 0.51 -0.75 4.18 2.87 2cmzB1 ILE 96 HB -0.50 0.09 0.15 -0.04 1.89 1.59 2cmzB1 ILE 96 HG12 -1.32 -0.06 -0.06 -0.04 1.49 0.00 2cmzB1 ILE 96 HG13 -0.67 0.13 0.02 -0.04 1.21 0.65 2cmzB1 ILE 96 HG23 -1.00 -0.01 -0.14 -0.04 0.93 -0.27 2cmzB1 ILE 96 HD13 -0.57 -0.02 -0.13 -0.04 0.88 0.11 2cmzB1 GLU 97 H -0.25 0.57 -0.19 -0.55 8.60 8.19 2cmzB1 GLU 97 HA -0.17 0.03 0.33 -0.75 4.29 3.73 2cmzB1 GLU 97 HB2 -0.12 0.17 0.14 -0.04 2.09 2.24 2cmzB1 GLU 97 HB3 -0.08 0.03 0.08 -0.04 1.99 1.97 2cmzB1 GLU 97 HG2 -0.06 -0.01 -0.02 -0.04 2.34 2.21 2cmzB1 GLU 97 HG3 -0.08 -0.01 0.04 -0.04 2.34 2.25 2cmzB1 GLN 98 H -0.09 0.59 -0.09 -0.55 8.47 8.33 2cmzB1 GLN 98 HA -0.02 0.06 0.43 -0.75 4.36 4.08 2cmzB1 GLN 98 HB2 0.14 0.11 0.16 -0.04 2.15 2.52 2cmzB1 GLN 98 HB3 0.10 -0.13 0.01 -0.04 2.02 1.96 2cmzB1 GLN 98 HG2 -0.01 -0.04 0.02 -0.04 2.40 2.33 2cmzB1 GLN 98 HG3 -0.01 0.20 0.10 -0.04 2.39 2.64 2cmzB1 GLN 98 HE21 -0.06 -0.00 -0.02 -0.04 6.97 6.84 2cmzB1 GLN 98 HE22 -0.04 -0.01 -0.02 -0.04 7.69 7.58 2cmzB1 THR 99 H -0.17 0.52 -0.20 -0.55 8.28 7.88 2cmzB1 THR 99 HA 0.03 0.00 0.55 -0.75 4.39 4.21 2cmzB1 THR 99 HB -0.58 0.14 0.16 -0.04 4.32 4.00 2cmzB1 THR 99 HG23 0.01 -0.01 -0.05 -0.04 1.22 1.13 2cmzB1 LYS 100 H -0.18 0.46 -0.20 -0.55 8.42 7.95 2cmzB1 LYS 100 HA 0.04 0.04 0.39 -0.75 4.32 4.04 2cmzB1 LYS 100 HB2 -0.08 0.12 0.14 -0.04 1.87 2.01 2cmzB1 LYS 100 HB3 0.01 -0.05 0.06 -0.04 1.79 1.76 2cmzB1 LYS 100 HG2 0.16 -0.05 0.02 -0.04 1.46 1.54 2cmzB1 LYS 100 HG3 -0.16 0.15 0.05 -0.04 1.46 1.46 2cmzB1 LYS 100 HD2 -0.11 -0.01 -0.11 -0.04 1.69 1.43 2cmzB1 LYS 100 HD3 0.01 -0.02 -0.02 -0.04 1.68 1.61 2cmzB1 LYS 100 HE2 0.20 -0.02 -0.03 -0.04 2.99 3.09 2cmzB1 LYS 100 HE3 0.39 -0.01 -0.07 -0.04 2.99 3.26 2cmzB1 GLN 101 H -0.03 0.24 -0.35 -0.55 8.47 7.79 2cmzB1 GLN 101 HA 0.00 0.11 0.73 -0.75 4.36 4.45 2cmzB1 GLN 101 HB2 -0.01 -0.01 0.14 -0.04 2.15 2.23 2cmzB1 GLN 101 HB3 -0.00 -0.04 0.12 -0.04 2.02 2.06 2cmzB1 GLN 101 HG2 -0.01 -0.03 0.01 -0.04 2.40 2.33 2cmzB1 GLN 101 HG3 -0.03 0.12 -0.01 -0.04 2.39 2.43 2cmzB1 GLN 101 HE21 -0.03 -0.07 -0.07 -0.04 6.97 6.76 2cmzB1 GLN 101 HE22 -0.03 0.02 -0.05 -0.04 7.69 7.58 2cmzB1 GLY 102 H 0.02 0.33 -0.48 -0.55 8.43 7.75 2cmzB1 GLY 102 HA2 0.05 0.07 0.33 -0.51 4.01 3.95 2cmzB1 GLY 102 HA3 0.03 0.02 0.48 -0.51 4.01 4.03 2cmzB1 THR 103 H 0.05 0.57 0.07 -0.55 8.28 8.41 2cmzB1 THR 103 HA 0.01 0.17 0.63 -0.75 4.39 4.45 2cmzB1 THR 103 HB 0.01 0.00 0.05 -0.04 4.32 4.34 2cmzB1 THR 103 HG23 -0.04 -0.03 -0.16 -0.04 1.22 0.95 2cmzB1 TRP 104 H 0.18 0.10 -0.27 -0.55 7.97 7.44 2cmzB1 TRP 104 HA -0.08 -0.04 0.28 -0.75 4.62 4.03 2cmzB1 TRP 104 HB2 -0.12 -0.10 -0.06 -0.04 3.23 2.91 2cmzB1 TRP 104 HB3 -0.08 0.02 -0.01 -0.04 3.23 3.12 2cmzB1 TRP 104 HD1 -0.13 -0.08 0.09 -0.04 7.22 7.06 2cmzB1 TRP 104 HE1 -0.10 0.24 0.12 -0.04 10.20 10.41 2cmzB1 TRP 104 HE3 -0.05 0.03 -0.46 -0.04 7.59 7.07 2cmzB1 TRP 104 HZ2 -0.09 -0.06 -0.29 -0.04 7.44 6.95 2cmzB1 TRP 104 HZ3 -0.05 -0.03 -0.12 -0.04 7.13 6.90 2cmzB1 TRP 104 HH2 -0.07 -0.04 -0.12 -0.04 7.19 6.92 2cmzB1 LEU 105 H -1.00 0.17 0.21 -0.55 8.37 7.21 2cmzB1 LEU 105 HA -0.30 0.13 0.77 -0.75 4.35 4.20 2cmzB1 LEU 105 HB2 -0.30 0.00 -0.07 -0.04 1.64 1.23 2cmzB1 LEU 105 HB3 -0.18 0.13 -0.04 -0.04 1.64 1.51 2cmzB1 LEU 105 HG -0.32 -0.01 0.03 -0.04 1.64 1.30 2cmzB1 LEU 105 HD13 -0.36 -0.02 -0.10 -0.04 0.93 0.41 2cmzB1 LEU 105 HD23 -0.14 0.01 -0.04 -0.04 0.89 0.68 2cmzB1 ASN 106 H -0.38 0.18 0.09 -0.55 8.53 7.88 2cmzB1 ASN 106 HA -0.76 0.18 0.87 -0.75 4.76 4.30 2cmzB1 ASN 106 HB2 0.13 0.02 0.04 -0.04 2.88 3.03 2cmzB1 ASN 106 HB3 -0.09 0.02 0.15 -0.04 2.79 2.83 2cmzB1 ASN 106 HD21 -0.34 -0.02 -0.06 -0.04 7.03 6.57 2cmzB1 ASN 106 HD22 0.10 0.02 -0.03 -0.04 7.74 7.80 2cmzB1 PRO 107 HA -0.24 0.09 0.41 -0.51 4.44 4.19 2cmzB1 PRO 107 HB2 -0.25 0.11 -0.11 -0.04 2.28 1.99 2cmzB1 PRO 107 HB3 -0.22 0.00 0.03 -0.04 2.02 1.79 2cmzB1 PRO 107 HG2 -0.32 0.03 0.03 -0.04 2.03 1.73 2cmzB1 PRO 107 HG3 -0.35 0.05 0.02 -0.04 2.03 1.70 2cmzB1 PRO 107 HD2 -0.56 0.04 0.15 -0.04 3.68 3.27 2cmzB1 PRO 107 HD3 -0.62 0.35 0.32 -0.04 3.65 3.66 2cmzB1 GLY 108 H -0.66 -0.04 -0.35 -0.55 8.43 6.84 2cmzB1 GLY 108 HA2 -0.88 -0.05 0.16 -0.51 4.01 2.73 2cmzB1 GLY 108 HA3 -0.17 0.08 0.31 -0.51 4.01 3.72 2cmzB1 PHE 109 H 0.32 0.05 0.07 -0.55 8.34 8.23 2cmzB1 PHE 109 HA 0.25 0.07 0.32 -0.75 4.62 4.50 2cmzB1 PHE 109 HB2 0.15 -0.03 0.06 -0.04 3.15 3.28 2cmzB1 PHE 109 HB3 0.14 0.10 -0.05 -0.04 3.06 3.21 2cmzB1 PHE 109 HD2 0.27 0.01 -0.15 -0.04 7.28 7.37 2cmzB1 PHE 109 HE2 0.05 0.09 -0.05 -0.04 7.38 7.43 2cmzB1 PHE 109 HZ -0.31 -0.02 -0.21 -0.04 7.32 6.75 2cmzB1 PRO 110 HA 0.04 0.11 0.39 -0.51 4.44 4.46 2cmzB1 PRO 110 HB2 0.10 -0.02 -0.18 -0.04 2.28 2.15 2cmzB1 PRO 110 HB3 0.05 0.04 -0.09 -0.04 2.02 1.97 2cmzB1 PRO 110 HG2 0.14 0.15 -0.25 -0.04 2.03 2.02 2cmzB1 PRO 110 HG3 0.07 0.04 -0.25 -0.04 2.03 1.84 2cmzB1 PRO 110 HD2 0.37 -0.04 -0.03 -0.04 3.68 3.94 2cmzB1 PRO 110 HD3 0.21 0.13 0.06 -0.04 3.65 4.01 2cmzB1 PRO 111 HA 0.03 0.02 0.53 -0.51 4.44 4.52 2cmzB1 PRO 111 HB2 0.01 0.10 -0.05 -0.04 2.28 2.30 2cmzB1 PRO 111 HB3 0.01 0.00 0.09 -0.04 2.02 2.09 2cmzB1 PRO 111 HG2 0.01 0.01 0.04 -0.04 2.03 2.05 2cmzB1 PRO 111 HG3 -0.00 0.02 0.06 -0.04 2.03 2.07 2cmzB1 PRO 111 HD2 0.01 0.04 0.17 -0.04 3.68 3.87 2cmzB1 PRO 111 HD3 0.00 0.17 0.12 -0.04 3.65 3.91 2cmzB1 GLN 112 H 0.02 0.06 0.09 -0.55 8.47 8.09 2cmzB1 GLN 112 HA 0.02 0.04 0.32 -0.75 4.36 3.98 2cmzB1 GLN 112 HB2 -0.02 -0.00 -0.10 -0.04 2.15 1.99 2cmzB1 GLN 112 HB3 -0.01 0.01 0.04 -0.04 2.02 2.03 2cmzB1 GLN 112 HG2 -0.01 -0.03 0.02 -0.04 2.40 2.34 2cmzB1 GLN 112 HG3 -0.03 -0.03 -0.26 -0.04 2.39 2.03 2cmzB1 GLN 112 HE21 -0.10 0.00 -0.06 -0.04 6.97 6.78 2cmzB1 GLN 112 HE22 -0.09 -0.02 -0.10 -0.04 7.69 7.44 2cmzB1 SER 113 H 0.03 0.21 0.07 -0.55 8.46 8.22 2cmzB1 SER 113 HA 0.02 0.15 0.61 -0.75 4.49 4.52 2cmzB1 SER 113 HB2 0.03 0.08 -0.02 -0.04 3.95 4.00 2cmzB1 SER 113 HB3 0.03 0.01 -0.00 -0.04 3.93 3.93 2cmzB1 CYS 114 H 0.04 0.23 -0.05 -0.55 8.50 8.17 2cmzB1 CYS 114 HA 0.09 0.21 0.98 -0.75 4.58 5.11 2cmzB1 CYS 114 HB2 -0.02 0.00 0.05 -0.04 2.97 2.96 2cmzB1 CYS 114 HB3 0.00 0.02 -0.10 -0.04 2.97 2.86 2cmzB1 GLY 115 H 0.14 0.25 0.06 -0.55 8.43 8.34 2cmzB1 GLY 115 HA2 0.16 0.12 0.83 -0.51 4.01 4.61 2cmzB1 GLY 115 HA3 0.10 0.04 0.26 -0.51 4.01 3.90 2cmzB1 TYR 116 H 0.15 0.11 0.06 -0.55 8.29 8.06 2cmzB1 TYR 116 HA -1.16 0.04 0.33 -0.75 4.56 3.01 2cmzB1 TYR 116 HB2 -0.37 0.01 0.09 -0.04 3.06 2.75 2cmzB1 TYR 116 HB3 -0.17 -0.03 0.10 -0.04 2.98 2.84 2cmzB1 TYR 116 HD2 -0.74 -0.01 -0.04 -0.04 7.15 6.32 2cmzB1 TYR 116 HE2 -0.09 0.06 0.03 -0.04 6.85 6.80 2cmzB1 ALA 117 H -0.77 0.28 0.09 -0.55 8.40 7.47 2cmzB1 ALA 117 HA -0.29 0.02 0.31 -0.75 4.34 3.62 2cmzB1 ALA 117 HB3 -0.56 0.01 0.04 -0.04 1.41 0.86 2cmzB1 THR 118 H -0.04 0.43 -0.07 -0.55 8.28 8.06 2cmzB1 THR 118 HA -0.00 0.10 0.88 -0.75 4.39 4.62 2cmzB1 THR 118 HB 0.02 0.02 -0.08 -0.04 4.32 4.24 2cmzB1 THR 118 HG23 -0.02 0.03 -0.21 -0.04 1.22 0.98 2cmzB1 VAL 119 H 0.03 0.16 0.15 -0.55 8.24 8.03 2cmzB1 VAL 119 HA 0.06 0.32 1.05 -0.75 4.13 4.80 2cmzB1 VAL 119 HB 0.04 -0.02 0.17 -0.04 2.12 2.27 2cmzB1 VAL 119 HG13 0.04 -0.00 -0.15 -0.04 0.97 0.82 2cmzB1 VAL 119 HG23 0.05 -0.02 -0.01 -0.04 0.95 0.93 2cmzB1 THR 120 H 0.05 0.57 0.31 -0.55 8.28 8.67 2cmzB1 THR 120 HA 0.03 0.13 0.96 -0.75 4.39 4.75 2cmzB1 THR 120 HB 0.04 0.05 0.01 -0.04 4.32 4.37 2cmzB1 THR 120 HG23 0.04 -0.02 -0.24 -0.04 1.22 0.96 2cmzB1 ASP 121 H 0.03 0.12 0.17 -0.55 8.40 8.17 2cmzB1 ASP 121 HA 0.04 0.25 0.86 -0.75 4.63 5.02 2cmzB1 ASP 121 HB2 0.03 -0.03 0.07 -0.04 2.71 2.74 2cmzB1 ASP 121 HB3 0.04 0.02 -0.09 -0.04 2.70 2.63 2cmzB1 ALA 122 H 0.06 0.57 0.36 -0.55 8.40 8.84 2cmzB1 ALA 122 HA 0.04 0.10 0.78 -0.75 4.34 4.51 2cmzB1 ALA 122 HB3 0.05 0.00 0.05 -0.04 1.41 1.48 2cmzB1 GLU 123 H 0.04 0.19 0.17 -0.55 8.60 8.45 2cmzB1 GLU 123 HA 0.10 0.38 1.11 -0.75 4.29 5.12 2cmzB1 GLU 123 HB2 0.02 -0.03 0.04 -0.04 2.09 2.08 2cmzB1 GLU 123 HB3 0.03 -0.01 -0.13 -0.04 1.99 1.85 2cmzB1 GLU 123 HG2 0.04 0.01 -0.16 -0.04 2.34 2.19 2cmzB1 GLU 123 HG3 0.05 -0.04 -0.43 -0.04 2.34 1.88 2cmzB1 ALA 124 H 0.12 0.67 0.39 -0.55 8.40 9.03 2cmzB1 ALA 124 HA -0.01 0.11 0.75 -0.75 4.34 4.44 2cmzB1 ALA 124 HB3 -0.08 0.02 0.04 -0.04 1.41 1.36 2cmzB1 VAL 125 H 0.00 0.18 0.13 -0.55 8.24 8.00 2cmzB1 VAL 125 HA 0.19 0.22 1.00 -0.75 4.13 4.78 2cmzB1 VAL 125 HB 0.05 -0.01 0.15 -0.04 2.12 2.27 2cmzB1 VAL 125 HG13 0.31 -0.01 -0.19 -0.04 0.97 1.03 2cmzB1 VAL 125 HG23 -0.02 -0.00 -0.05 -0.04 0.95 0.84 2cmzB1 ILE 126 H 0.23 0.74 0.28 -0.55 8.25 8.96 2cmzB1 ILE 126 HA -0.02 0.18 1.01 -0.75 4.18 4.59 2cmzB1 ILE 126 HB -0.11 -0.01 0.10 -0.04 1.89 1.83 2cmzB1 ILE 126 HG12 -0.43 0.07 -0.04 -0.04 1.49 1.05 2cmzB1 ILE 126 HG13 -0.37 -0.07 -0.59 -0.04 1.21 0.14 2cmzB1 ILE 126 HG23 0.02 -0.00 -0.16 -0.04 0.93 0.75 2cmzB1 ILE 126 HD13 -1.71 0.02 -0.08 -0.04 0.88 -0.93 2cmzB1 VAL 127 H 0.16 0.23 0.08 -0.55 8.24 8.16 2cmzB1 VAL 127 HA 0.04 0.14 0.86 -0.75 4.13 4.41 2cmzB1 VAL 127 HB 0.10 0.02 0.11 -0.04 2.12 2.31 2cmzB1 VAL 127 HG13 -0.06 -0.01 -0.30 -0.04 0.97 0.56 2cmzB1 VAL 127 HG23 0.04 -0.02 -0.15 -0.04 0.95 0.78 2cmzB1 GLN 128 H 0.07 0.81 0.37 -0.55 8.47 9.18 2cmzB1 GLN 128 HA -0.40 0.20 0.92 -0.75 4.36 4.32 2cmzB1 GLN 128 HB2 -0.26 -0.00 0.04 -0.04 2.15 1.89 2cmzB1 GLN 128 HB3 0.20 -0.04 -0.08 -0.04 2.02 2.06 2cmzB1 GLN 128 HG2 0.21 0.15 0.05 -0.04 2.40 2.77 2cmzB1 GLN 128 HG3 0.04 -0.06 -0.19 -0.04 2.39 2.13 2cmzB1 GLN 128 HE21 0.00 -0.01 -0.11 -0.04 6.97 6.82 2cmzB1 GLN 128 HE22 -0.01 -0.02 -0.16 -0.04 7.69 7.45 2cmzB1 VAL 129 H -0.63 0.28 0.18 -0.55 8.24 7.52 2cmzB1 VAL 129 HA -0.11 0.38 1.01 -0.75 4.13 4.65 2cmzB1 VAL 129 HB -0.45 -0.06 -0.43 -0.04 2.12 1.14 2cmzB1 VAL 129 HG13 -0.62 -0.00 -0.17 -0.04 0.97 0.14 2cmzB1 VAL 129 HG23 -0.23 -0.02 -0.13 -0.04 0.95 0.53 2cmzB1 THR 130 H 0.11 0.62 0.28 -0.55 8.28 8.73 2cmzB1 THR 130 HA 0.07 0.20 0.92 -0.75 4.39 4.82 2cmzB1 THR 130 HB 0.01 -0.07 0.09 -0.04 4.32 4.31 2cmzB1 THR 130 HG23 -0.02 0.05 0.00 -0.04 1.22 1.21 2cmzB1 PRO 131 HA -0.89 0.24 0.65 -0.51 4.44 3.93 2cmzB1 PRO 131 HB2 -0.27 -0.02 0.08 -0.04 2.28 2.03 2cmzB1 PRO 131 HB3 -0.65 0.02 0.13 -0.04 2.02 1.48 2cmzB1 PRO 131 HG2 -0.13 0.03 0.10 -0.04 2.03 1.99 2cmzB1 PRO 131 HG3 -0.38 0.05 0.08 -0.04 2.03 1.74 2cmzB1 PRO 131 HD2 -0.03 0.09 0.24 -0.04 3.68 3.94 2cmzB1 PRO 131 HD3 0.21 0.18 0.17 -0.04 3.65 4.17 2cmzB1 HIS 132 H -0.25 0.83 0.21 -0.55 8.41 8.66 2cmzB1 HIS 132 HA -0.21 0.08 0.66 -0.75 4.63 4.41 2cmzB1 HIS 132 HB2 -0.00 0.11 -0.22 -0.04 3.26 3.11 2cmzB1 HIS 132 HB3 0.31 -0.11 -0.09 -0.04 3.20 3.26 2cmzB1 HIS 132 HD2 -0.37 -0.05 -0.38 -0.04 6.97 6.13 2cmzB1 HIS 132 HE1 -0.18 -0.05 -0.03 -0.04 7.75 7.44 2cmzB1 HIS 133 H -0.64 0.12 0.10 -0.55 8.41 7.44 2cmzB1 HIS 133 HA 0.09 0.30 0.95 -0.75 4.63 5.22 2cmzB1 HIS 133 HB2 -0.03 0.04 -0.09 -0.04 3.26 3.14 2cmzB1 HIS 133 HB3 -0.08 -0.10 -0.03 -0.04 3.20 2.95 2cmzB1 HIS 133 HD2 -0.15 0.01 -0.30 -0.04 6.97 6.48 2cmzB1 HIS 133 HE1 -0.09 0.01 -0.02 -0.04 7.75 7.61 2cmzB1 VAL 134 H 0.14 0.55 0.35 -0.55 8.24 8.73 2cmzB1 VAL 134 HA -0.08 0.16 0.84 -0.75 4.13 4.30 2cmzB1 VAL 134 HB -0.13 0.10 0.12 -0.04 2.12 2.16 2cmzB1 VAL 134 HG13 -0.83 0.00 -0.31 -0.04 0.97 -0.21 2cmzB1 VAL 134 HG23 -0.15 0.03 -0.10 -0.04 0.95 0.68 2cmzB1 LEU 135 H 0.03 0.55 0.36 -0.55 8.37 8.76 2cmzB1 LEU 135 HA 0.05 0.35 1.08 -0.75 4.35 5.08 2cmzB1 LEU 135 HB2 0.02 -0.02 0.10 -0.04 1.64 1.70 2cmzB1 LEU 135 HB3 0.00 0.02 0.16 -0.04 1.64 1.78 2cmzB1 LEU 135 HG 0.00 -0.04 -0.02 -0.04 1.64 1.54 2cmzB1 LEU 135 HD13 -0.01 -0.01 0.03 -0.04 0.93 0.89 2cmzB1 LEU 135 HD23 -0.02 0.02 -0.01 -0.04 0.89 0.84 2cmzB1 VAL 136 H 0.02 0.29 0.27 -0.55 8.24 8.26 2cmzB1 VAL 136 HA 0.02 0.33 0.99 -0.75 4.13 4.71 2cmzB1 VAL 136 HB -0.07 -0.07 0.06 -0.04 2.12 2.00 2cmzB1 VAL 136 HG13 -0.25 0.01 -0.32 -0.04 0.97 0.37 2cmzB1 VAL 136 HG23 0.16 0.03 -0.20 -0.04 0.95 0.89 2cmzB1 ASP 137 H -0.10 0.76 0.10 -0.55 8.40 8.61 2cmzB1 ASP 137 HA -0.11 0.18 0.90 -0.75 4.63 4.84 2cmzB1 ASP 137 HB2 -0.02 0.09 0.05 -0.04 2.71 2.79 2cmzB1 ASP 137 HB3 -0.08 -0.05 0.16 -0.04 2.70 2.69 2cmzB1 GLU 138 H -0.24 0.34 0.01 -0.55 8.60 8.16 2cmzB1 GLU 138 HA -0.47 0.07 0.38 -0.75 4.29 3.52 2cmzB1 GLU 138 HB2 -0.49 0.06 0.03 -0.04 2.09 1.65 2cmzB1 GLU 138 HB3 -0.82 0.05 0.03 -0.04 1.99 1.21 2cmzB1 GLU 138 HG2 -0.34 0.00 -0.05 -0.04 2.34 1.91 2cmzB1 GLU 138 HG3 -0.24 0.02 -0.02 -0.04 2.34 2.06 2cmzB1 TYR 139 H -0.19 0.11 -0.20 -0.55 8.29 7.45 2cmzB1 TYR 139 HA -0.29 0.20 0.61 -0.75 4.56 4.33 2cmzB1 TYR 139 HB2 -0.46 -0.09 0.01 -0.04 3.06 2.48 2cmzB1 TYR 139 HB3 -0.18 0.10 -0.01 -0.04 2.98 2.85 2cmzB1 TYR 139 HD2 -0.33 0.01 -0.04 -0.04 7.15 6.76 2cmzB1 TYR 139 HE2 -0.05 0.02 -0.28 -0.04 6.85 6.50 2cmzB1 THR 140 H -0.18 0.18 -0.33 -0.55 8.28 7.40 2cmzB1 THR 140 HA -0.15 0.30 0.88 -0.75 4.39 4.67 2cmzB1 THR 140 HB -0.08 0.03 0.07 -0.04 4.32 4.29 2cmzB1 THR 140 HG23 0.04 0.01 -0.17 -0.04 1.22 1.07 2cmzB1 GLY 141 H -0.31 0.29 0.06 -0.55 8.43 7.93 2cmzB1 GLY 141 HA2 -0.38 -0.02 0.26 -0.51 4.01 3.36 2cmzB1 GLY 141 HA3 -0.32 0.11 0.58 -0.51 4.01 3.87 2cmzB1 GLU 142 H -0.22 -0.02 -0.44 -0.55 8.60 7.37 2cmzB1 GLU 142 HA -0.37 0.14 0.39 -0.75 4.29 3.69 2cmzB1 GLU 142 HB2 -0.10 -0.11 -0.02 -0.04 2.09 1.83 2cmzB1 GLU 142 HB3 -0.09 0.09 -0.04 -0.04 1.99 1.91 2cmzB1 GLU 142 HG2 -0.13 -0.02 -0.22 -0.04 2.34 1.93 2cmzB1 GLU 142 HG3 -0.14 0.06 -0.14 -0.04 2.34 2.09 2cmzB1 TRP 143 H -0.30 0.58 0.40 -0.55 7.97 8.10 2cmzB1 TRP 143 HA -0.03 0.27 0.87 -0.75 4.62 4.97 2cmzB1 TRP 143 HB2 -0.35 -0.14 0.06 -0.04 3.23 2.76 2cmzB1 TRP 143 HB3 -0.07 0.01 0.02 -0.04 3.23 3.14 2cmzB1 TRP 143 HD1 -0.21 -0.18 -0.17 -0.04 7.22 6.62 2cmzB1 TRP 143 HE1 0.18 0.51 0.00 -0.04 10.20 10.85 2cmzB1 TRP 143 HE3 0.07 0.10 -0.06 -0.04 7.59 7.66 2cmzB1 TRP 143 HZ2 0.25 -0.08 0.03 -0.04 7.44 7.60 2cmzB1 TRP 143 HZ3 0.17 -0.04 -0.11 -0.04 7.13 7.10 2cmzB1 TRP 143 HH2 0.22 0.13 -0.06 -0.04 7.19 7.45 2cmzB1 VAL 144 H 0.21 0.65 0.23 -0.55 8.24 8.78 2cmzB1 VAL 144 HA 0.17 0.30 0.98 -0.75 4.13 4.82 2cmzB1 VAL 144 HB 0.05 -0.13 -0.02 -0.04 2.12 1.98 2cmzB1 VAL 144 HG13 0.04 0.01 -0.23 -0.04 0.97 0.75 2cmzB1 VAL 144 HG23 0.03 0.02 -0.37 -0.04 0.95 0.59 2cmzB1 ASP 145 H 0.16 0.79 0.13 -0.55 8.40 8.93 2cmzB1 ASP 145 HA -0.09 0.05 0.54 -0.75 4.63 4.37 2cmzB1 ASP 145 HB2 -0.43 0.14 -0.27 -0.04 2.71 2.11 2cmzB1 ASP 145 HB3 -1.19 -0.08 -0.16 -0.04 2.70 1.23 2cmzB1 SER 146 H -0.08 0.15 0.15 -0.55 8.46 8.14 2cmzB1 SER 146 HA -0.01 0.16 0.42 -0.75 4.49 4.31 2cmzB1 SER 146 HB2 -0.01 0.03 0.12 -0.04 3.95 4.04 2cmzB1 SER 146 HB3 -0.02 0.04 0.14 -0.04 3.93 4.05 2cmzB1 GLN 147 H -0.21 0.00 -0.36 -0.55 8.47 7.35 2cmzB1 GLN 147 HA -0.03 0.17 0.75 -0.75 4.36 4.50 2cmzB1 GLN 147 HB2 -0.38 0.00 -0.05 -0.04 2.15 1.69 2cmzB1 GLN 147 HB3 -0.20 -0.04 0.04 -0.04 2.02 1.78 2cmzB1 GLN 147 HG2 -0.07 -0.03 -0.08 -0.04 2.40 2.18 2cmzB1 GLN 147 HG3 -0.15 0.03 -0.03 -0.04 2.39 2.20 2cmzB1 GLN 147 HE21 0.08 0.00 -0.04 -0.04 6.97 6.98 2cmzB1 GLN 147 HE22 -0.00 -0.01 -0.12 -0.04 7.69 7.52 2cmzB1 PHE 148 H -0.15 0.43 -0.35 -0.55 8.34 7.71 2cmzB1 PHE 148 HA -0.03 0.19 0.60 -0.75 4.62 4.62 2cmzB1 PHE 148 HB2 -0.04 0.14 -0.33 -0.04 3.15 2.87 2cmzB1 PHE 148 HB3 -0.01 -0.02 -0.23 -0.04 3.06 2.76 2cmzB1 PHE 148 HD2 -0.07 0.11 -0.29 -0.04 7.28 7.00 2cmzB1 PHE 148 HE2 -0.25 -0.01 -0.28 -0.04 7.38 6.80 2cmzB1 PHE 148 HZ -1.74 0.03 -0.21 -0.04 7.32 5.36 2cmzB1 ILE 149 H 0.17 0.24 0.09 -0.55 8.25 8.19 2cmzB1 ILE 149 HA 0.07 0.11 0.08 -0.75 4.18 3.68 2cmzB1 ILE 149 HB 0.03 0.01 -0.04 -0.04 1.89 1.85 2cmzB1 ILE 149 HG12 0.02 0.02 0.08 -0.04 1.49 1.58 2cmzB1 ILE 149 HG13 0.05 -0.03 0.21 -0.04 1.21 1.39 2cmzB1 ILE 149 HG23 0.05 0.02 -0.12 -0.04 0.93 0.84 2cmzB1 ILE 149 HD13 0.01 -0.07 0.11 -0.04 0.88 0.88 2cmzB1 ASN 150 H 0.05 0.15 0.06 -0.55 8.53 8.24 2cmzB1 ASN 150 HA 0.03 0.28 0.91 -0.75 4.76 5.23 2cmzB1 ASN 150 HB2 0.02 -0.02 0.10 -0.04 2.88 2.93 2cmzB1 ASN 150 HB3 0.02 0.02 0.19 -0.04 2.79 2.97 2cmzB1 ASN 150 HD21 0.01 0.01 -0.04 -0.04 7.03 6.97 2cmzB1 ASN 150 HD22 0.01 -0.02 -0.01 -0.04 7.74 7.68 2cmzB1 GLY 151 H 0.09 0.39 -0.71 -0.55 8.43 7.66 2cmzB1 GLY 151 HA2 0.08 0.23 0.20 -0.51 4.01 4.01 2cmzB1 GLY 151 HA3 0.06 0.12 0.60 -0.51 4.01 4.28 2cmzB1 LYS 152 H 0.10 -0.02 -0.24 -0.55 8.42 7.71 2cmzB1 LYS 152 HA 0.14 0.34 0.89 -0.75 4.32 4.93 2cmzB1 LYS 152 HB2 0.02 -0.04 -0.17 -0.04 1.87 1.63 2cmzB1 LYS 152 HB3 -0.01 -0.00 -0.09 -0.04 1.79 1.65 2cmzB1 LYS 152 HG2 0.05 0.06 -0.12 -0.04 1.46 1.41 2cmzB1 LYS 152 HG3 0.05 0.01 -0.65 -0.04 1.46 0.83 2cmzB1 LYS 152 HD2 0.02 0.02 -0.15 -0.04 1.69 1.54 2cmzB1 LYS 152 HD3 0.00 -0.04 -0.13 -0.04 1.68 1.47 2cmzB1 LYS 152 HE2 0.04 -0.03 -0.15 -0.04 2.99 2.81 2cmzB1 LYS 152 HE3 0.04 0.04 -0.13 -0.04 2.99 2.90 2cmzB1 CYS 153 H -0.12 0.63 0.30 -0.55 8.50 8.76 2cmzB1 CYS 153 HA -0.12 0.10 0.53 -0.75 4.58 4.33 2cmzB1 CYS 153 HB2 -0.42 0.09 0.08 -0.04 2.97 2.69 2cmzB1 CYS 153 HB3 -1.06 0.01 -0.03 -0.04 2.97 1.85 2cmzB1 SER 154 H -0.05 0.14 0.12 -0.55 8.46 8.13 2cmzB1 SER 154 HA -0.23 0.22 0.90 -0.75 4.49 4.63 2cmzB1 SER 154 HB2 -0.13 0.06 0.11 -0.04 3.95 3.95 2cmzB1 SER 154 HB3 -0.12 -0.00 -0.15 -0.04 3.93 3.62 2cmzB1 ASN 155 H 0.12 0.06 -0.01 -0.55 8.53 8.15 2cmzB1 ASN 155 HA 0.13 0.22 0.94 -0.75 4.76 5.30 2cmzB1 ASN 155 HB2 0.11 0.25 -0.03 -0.04 2.88 3.17 2cmzB1 ASN 155 HB3 0.11 -0.10 0.20 -0.04 2.79 2.96 2cmzB1 ASN 155 HD21 0.02 0.00 0.05 -0.04 7.03 7.06 2cmzB1 ASN 155 HD22 0.03 0.16 0.13 -0.04 7.74 8.02 2cmzB1 TYR 156 H 0.29 0.13 0.15 -0.55 8.29 8.30 2cmzB1 TYR 156 HA 0.36 0.10 0.56 -0.75 4.56 4.82 2cmzB1 TYR 156 HB2 0.12 -0.01 0.12 -0.04 3.06 3.25 2cmzB1 TYR 156 HB3 0.06 -0.02 0.13 -0.04 2.98 3.11 2cmzB1 TYR 156 HD2 0.11 -0.03 -0.06 -0.04 7.15 7.13 2cmzB1 TYR 156 HE2 0.03 -0.03 -0.26 -0.04 6.85 6.54 2cmzB1 ILE 157 H 0.10 0.06 -0.01 -0.55 8.25 7.86 2cmzB1 ILE 157 HA -0.27 0.36 1.02 -0.75 4.18 4.53 2cmzB1 ILE 157 HB -0.10 -0.06 0.08 -0.04 1.89 1.76 2cmzB1 ILE 157 HG12 -0.62 0.07 -0.06 -0.04 1.49 0.85 2cmzB1 ILE 157 HG13 -0.16 -0.15 -0.36 -0.04 1.21 0.50 2cmzB1 ILE 157 HG23 -0.57 0.02 -0.14 -0.04 0.93 0.19 2cmzB1 ILE 157 HD13 0.00 -0.01 -0.04 -0.04 0.88 0.80 2cmzB1 CYS 158 H 0.06 0.73 0.30 -0.55 8.50 9.05 2cmzB1 CYS 158 HA 0.03 0.17 0.91 -0.75 4.58 4.94 2cmzB1 CYS 158 HB2 0.35 -0.02 0.03 -0.04 2.97 3.29 2cmzB1 CYS 158 HB3 -0.15 0.12 -0.04 -0.04 2.97 2.86 2cmzB1 PRO 159 HA 0.10 0.16 0.79 -0.51 4.44 4.97 2cmzB1 PRO 159 HB2 0.06 0.08 -0.00 -0.04 2.28 2.37 2cmzB1 PRO 159 HB3 0.05 0.07 0.11 -0.04 2.02 2.21 2cmzB1 PRO 159 HG2 0.03 0.02 0.10 -0.04 2.03 2.14 2cmzB1 PRO 159 HG3 0.03 0.04 0.07 -0.04 2.03 2.13 2cmzB1 PRO 159 HD2 0.01 0.03 0.29 -0.04 3.68 3.96 2cmzB1 PRO 159 HD3 0.02 0.17 0.32 -0.04 3.65 4.12 2cmzB1 THR 160 H 0.11 0.32 0.19 -0.55 8.28 8.35 2cmzB1 THR 160 HA 0.20 0.12 0.89 -0.75 4.39 4.85 2cmzB1 THR 160 HB 0.06 0.06 0.15 -0.04 4.32 4.55 2cmzB1 THR 160 HG23 0.15 -0.02 -0.28 -0.04 1.22 1.02 2cmzB1 VAL 161 H 0.09 0.56 0.18 -0.55 8.24 8.52 2cmzB1 VAL 161 HA 0.01 0.07 0.44 -0.75 4.13 3.89 2cmzB1 VAL 161 HB 0.09 -0.04 0.14 -0.04 2.12 2.28 2cmzB1 VAL 161 HG13 -0.28 -0.03 -0.11 -0.04 0.97 0.51 2cmzB1 VAL 161 HG23 0.01 0.04 -0.09 -0.04 0.95 0.87 2cmzB1 HIS 162 H 0.23 0.05 -0.12 -0.55 8.41 8.03 2cmzB1 HIS 162 HA 0.02 0.15 0.73 -0.75 4.63 4.77 2cmzB1 HIS 162 HB2 0.00 -0.00 0.06 -0.04 3.26 3.28 2cmzB1 HIS 162 HB3 0.02 -0.06 0.02 -0.04 3.20 3.13 2cmzB1 HIS 162 HD2 -0.01 -0.01 0.00 -0.04 6.97 6.91 2cmzB1 HIS 162 HE1 -0.02 0.03 -0.03 -0.04 7.75 7.69 2cmzB1 ASN 163 H 0.09 0.10 0.14 -0.55 8.53 8.31 2cmzB1 ASN 163 HA 0.05 0.12 0.20 -0.75 4.76 4.37 2cmzB1 ASN 163 HB2 0.06 -0.01 0.17 -0.04 2.88 3.06 2cmzB1 ASN 163 HB3 0.07 -0.05 0.10 -0.04 2.79 2.88 2cmzB1 ASN 163 HD21 0.04 0.00 -0.02 -0.04 7.03 7.01 2cmzB1 ASN 163 HD22 0.05 -0.02 -0.01 -0.04 7.74 7.71 2cmzB1 SER 164 H 0.12 -0.02 -0.03 -0.55 8.46 7.98 2cmzB1 SER 164 HA 0.02 0.16 0.47 -0.75 4.49 4.38 2cmzB1 SER 164 HB2 -0.10 0.25 -0.01 -0.04 3.95 4.04 2cmzB1 SER 164 HB3 0.03 -0.11 -0.01 -0.04 3.93 3.80 2cmzB1 THR 165 H 0.14 0.05 -0.06 -0.55 8.28 7.86 2cmzB1 THR 165 HA 0.10 0.31 0.94 -0.75 4.39 4.99 2cmzB1 THR 165 HB 0.23 -0.06 -0.01 -0.04 4.32 4.44 2cmzB1 THR 165 HG23 0.07 -0.04 -0.01 -0.04 1.22 1.20 2cmzB1 THR 166 H 0.09 0.47 0.41 -0.55 8.28 8.71 2cmzB1 THR 166 HA 0.14 0.19 0.96 -0.75 4.39 4.93 2cmzB1 THR 166 HB 0.05 0.04 0.08 -0.04 4.32 4.45 2cmzB1 THR 166 HG23 0.06 -0.00 -0.14 -0.04 1.22 1.09 2cmzB1 TRP 167 H 0.27 0.67 0.31 -0.55 7.97 8.67 2cmzB1 TRP 167 HA 0.08 0.36 1.15 -0.75 4.62 5.45 2cmzB1 TRP 167 HB2 0.02 -0.02 -0.15 -0.04 3.23 3.04 2cmzB1 TRP 167 HB3 0.24 -0.07 0.02 -0.04 3.23 3.38 2cmzB1 TRP 167 HD1 -0.22 -0.04 -0.29 -0.04 7.22 6.62 2cmzB1 TRP 167 HE1 0.00 0.59 -0.10 -0.04 10.20 10.65 2cmzB1 TRP 167 HE3 -0.23 -0.07 -0.27 -0.04 7.59 6.98 2cmzB1 TRP 167 HZ2 -0.25 0.09 -0.25 -0.04 7.44 6.99 2cmzB1 TRP 167 HZ3 -1.85 0.04 -0.12 -0.04 7.13 5.16 2cmzB1 TRP 167 HH2 -1.29 -0.01 -0.14 -0.04 7.19 5.71 2cmzB1 HIS 168 H -0.37 0.75 0.35 -0.55 8.41 8.59 2cmzB1 HIS 168 HA -0.55 0.21 1.08 -0.75 4.63 4.62 2cmzB1 HIS 168 HB2 -0.30 -0.03 0.07 -0.04 3.26 2.96 2cmzB1 HIS 168 HB3 -0.43 0.09 0.01 -0.04 3.20 2.83 2cmzB1 HIS 168 HD2 -0.18 0.02 -0.08 -0.04 6.97 6.68 2cmzB1 HIS 168 HE1 -0.06 0.00 -0.14 -0.04 7.75 7.51 2cmzB1 SER 169 H -0.93 0.39 0.22 -0.55 8.46 7.59 2cmzB1 SER 169 HA -1.11 0.14 0.93 -0.75 4.49 3.70 2cmzB1 SER 169 HB2 -0.20 -0.03 0.08 -0.04 3.95 3.76 2cmzB1 SER 169 HB3 -0.90 0.00 0.07 -0.04 3.93 3.06 2cmzB1 ASP 170 H -0.20 0.48 0.24 -0.55 8.40 8.37 2cmzB1 ASP 170 HA -0.13 0.11 0.70 -0.75 4.63 4.56 2cmzB1 ASP 170 HB2 -0.10 0.01 0.11 -0.04 2.71 2.68 2cmzB1 ASP 170 HB3 -0.70 -0.01 -0.02 -0.04 2.70 1.93 2cmzB1 TYR 171 H 0.16 0.16 0.04 -0.55 8.29 8.10 2cmzB1 TYR 171 HA 0.20 0.17 0.89 -0.75 4.56 5.07 2cmzB1 TYR 171 HB2 0.19 -0.02 -0.00 -0.04 3.06 3.18 2cmzB1 TYR 171 HB3 0.15 0.04 -0.03 -0.04 2.98 3.10 2cmzB1 TYR 171 HD2 0.08 -0.02 -0.00 -0.04 7.15 7.16 2cmzB1 TYR 171 HE2 0.04 0.00 -0.03 -0.04 6.85 6.83 2cmzB1 LYS 172 H 0.28 0.15 0.13 -0.55 8.42 8.42 2cmzB1 LYS 172 HA 0.47 0.14 0.64 -0.75 4.32 4.81 2cmzB1 LYS 172 HB2 0.09 0.02 0.15 -0.04 1.87 2.10 2cmzB1 LYS 172 HB3 0.08 -0.07 0.05 -0.04 1.79 1.81 2cmzB1 LYS 172 HG2 0.13 0.02 0.06 -0.04 1.46 1.63 2cmzB1 LYS 172 HG3 -0.21 0.05 0.02 -0.04 1.46 1.29 2cmzB1 LYS 172 HD2 -0.14 0.03 0.03 -0.04 1.69 1.57 2cmzB1 LYS 172 HD3 -0.03 -0.02 0.03 -0.04 1.68 1.62 2cmzB1 LYS 172 HE2 -0.11 0.03 0.02 -0.04 2.99 2.89 2cmzB1 LYS 172 HE3 -0.02 -0.01 0.03 -0.04 2.99 2.94 2cmzB1 VAL 173 H 0.13 0.19 0.13 -0.55 8.24 8.15 2cmzB1 VAL 173 HA 0.08 0.09 0.09 -0.75 4.13 3.64 2cmzB1 VAL 173 HB -0.82 0.05 0.08 -0.04 2.12 1.39 2cmzB1 VAL 173 HG13 -0.32 0.04 -0.06 -0.04 0.97 0.59 2cmzB1 VAL 173 HG23 -0.54 0.07 -0.03 -0.04 0.95 0.40 2cmzB1 LYS 174 H -0.03 0.05 -0.20 -0.55 8.42 7.69 2cmzB1 LYS 174 HA -0.09 0.19 0.47 -0.75 4.32 4.13 2cmzB1 LYS 174 HB2 -0.00 -0.07 0.04 -0.04 1.87 1.80 2cmzB1 LYS 174 HB3 0.03 0.07 -0.00 -0.04 1.79 1.84 2cmzB1 LYS 174 HG2 -0.19 0.11 0.00 -0.04 1.46 1.34 2cmzB1 LYS 174 HG3 -0.21 0.06 -0.04 -0.04 1.46 1.23 2cmzB1 LYS 174 HD2 -0.04 -0.02 0.01 -0.04 1.69 1.60 2cmzB1 LYS 174 HD3 -0.10 0.08 0.00 -0.04 1.68 1.62 2cmzB1 LYS 174 HE2 -0.12 0.10 -0.01 -0.04 2.99 2.93 2cmzB1 LYS 174 HE3 -0.08 -0.23 0.05 -0.04 2.99 2.69 2cmzB1 GLY 175 H 0.06 0.11 -0.19 -0.55 8.43 7.86 2cmzB1 GLY 175 HA2 0.04 0.05 0.34 -0.51 4.01 3.93 2cmzB1 GLY 175 HA3 0.08 0.05 0.26 -0.51 4.01 3.90 2cmzB1 LEU 176 H 0.05 0.21 -0.40 -0.55 8.37 7.69 2cmzB1 LEU 176 HA -0.05 0.06 0.40 -0.75 4.35 4.00 2cmzB1 LEU 176 HB2 0.02 0.13 0.01 -0.04 1.64 1.76 2cmzB1 LEU 176 HB3 -0.02 -0.00 -0.07 -0.04 1.64 1.51 2cmzB1 LEU 176 HG 0.18 0.02 -0.14 -0.04 1.64 1.66 2cmzB1 LEU 176 HD13 0.29 -0.01 -0.10 -0.04 0.93 1.06 2cmzB1 LEU 176 HD23 -0.09 -0.01 -0.05 -0.04 0.89 0.70 2cmzB1 CYS 177 H -0.07 0.37 -0.11 -0.55 8.50 8.14 2cmzB1 CYS 177 HA -0.16 0.02 0.51 -0.75 4.58 4.20 2cmzB1 CYS 177 HB2 -0.02 0.08 0.19 -0.04 2.97 3.18 2cmzB1 CYS 177 HB3 -0.13 -0.00 0.01 -0.04 2.97 2.82 2cmzB1 ASP 178 H 0.01 0.75 -0.01 -0.55 8.40 8.60 2cmzB1 ASP 178 HA 0.03 0.01 0.19 -0.75 4.63 4.11 2cmzB1 ASP 178 HB2 0.03 0.05 0.03 -0.04 2.71 2.78 2cmzB1 ASP 178 HB3 0.03 -0.03 0.05 -0.04 2.70 2.71 2cmzB1 SER 179 H -0.03 0.24 -0.66 -0.55 8.46 7.46 2cmzB1 SER 179 HA -0.02 -0.02 0.50 -0.75 4.49 4.20 2cmzB1 SER 179 HB2 -0.09 0.19 0.06 -0.04 3.95 4.07 2cmzB1 SER 179 HB3 -0.06 -0.09 0.02 -0.04 3.93 3.77 2cmzB1 ASN 180 H -0.06 0.72 -0.11 -0.55 8.53 8.54 2cmzB1 ASN 180 HA -0.01 0.09 0.65 -0.75 4.76 4.73 2cmzB1 ASN 180 HB2 -0.13 0.09 0.15 -0.04 2.88 2.95 2cmzB1 ASN 180 HB3 -0.00 -0.00 0.25 -0.04 2.79 2.99 2cmzB1 ASN 180 HD21 -0.43 -0.05 -0.03 -0.04 7.03 6.48 2cmzB1 ASN 180 HD22 -0.47 0.05 0.06 -0.04 7.74 7.34 2cmzB1 LEU 181 H 0.01 0.47 -0.58 -0.55 8.37 7.71 2cmzB1 LEU 181 HA 0.05 0.30 0.82 -0.75 4.35 4.77 2cmzB1 LEU 181 HB2 0.04 -0.02 -0.05 -0.04 1.64 1.56 2cmzB1 LEU 181 HB3 0.01 -0.06 -0.03 -0.04 1.64 1.52 2cmzB1 LEU 181 HG 0.12 -0.06 -0.28 -0.04 1.64 1.37 2cmzB1 LEU 181 HD13 0.23 0.04 -0.39 -0.04 0.93 0.76 2cmzB1 LEU 181 HD23 0.07 -0.01 -0.21 -0.04 0.89 0.69 2cmzB1 ILE 182 H -0.02 0.41 0.20 -0.55 8.25 8.30 2cmzB1 ILE 182 HA -0.01 0.16 0.92 -0.75 4.18 4.50 2cmzB1 ILE 182 HB -0.03 0.05 0.06 -0.04 1.89 1.92 2cmzB1 ILE 182 HG12 -0.06 0.09 0.07 -0.04 1.49 1.55 2cmzB1 ILE 182 HG13 -0.11 -0.05 0.05 -0.04 1.21 1.05 2cmzB1 ILE 182 HG23 -0.00 0.00 -0.06 -0.04 0.93 0.83 2cmzB1 ILE 182 HD13 -0.07 -0.01 -0.02 -0.04 0.88 0.74 2cmzB1 SER 183 H -0.02 0.11 0.24 -0.55 8.46 8.25 2cmzB1 SER 183 HA -0.04 0.26 0.75 -0.75 4.49 4.70 2cmzB1 SER 183 HB2 -0.02 0.02 0.16 -0.04 3.95 4.08 2cmzB1 SER 183 HB3 -0.02 -0.04 0.16 -0.04 3.93 4.00 2cmzB1 MET 184 H -0.05 0.59 0.48 -0.55 8.47 8.95 2cmzB1 MET 184 HA -0.03 0.01 0.48 -0.75 4.52 4.23 2cmzB1 MET 184 HB2 -0.03 -0.06 0.12 -0.04 2.15 2.14 2cmzB1 MET 184 HB3 -0.05 0.17 -0.27 -0.04 2.03 1.83 2cmzB1 MET 184 HG2 -0.09 0.06 -0.24 -0.04 2.63 2.32 2cmzB1 MET 184 HG3 -0.08 -0.03 -0.54 -0.04 2.56 1.88 2cmzB1 MET 184 HE3 -0.09 -0.01 -0.16 -0.04 2.10 1.79 2cmzB1 ASP 185 H -0.03 0.17 0.18 -0.55 8.40 8.18 2cmzB1 ASP 185 HA -0.06 0.28 0.83 -0.75 4.63 4.93 2cmzB1 ASP 185 HB2 -0.03 -0.02 0.14 -0.04 2.71 2.76 2cmzB1 ASP 185 HB3 -0.04 0.03 -0.04 -0.04 2.70 2.60 2cmzB1 ILE 186 H -0.09 0.54 0.28 -0.55 8.25 8.43 2cmzB1 ILE 186 HA -0.08 0.11 0.84 -0.75 4.18 4.30 2cmzB1 ILE 186 HB -0.06 0.09 0.04 -0.04 1.89 1.92 2cmzB1 ILE 186 HG12 -0.24 0.09 -0.00 -0.04 1.49 1.29 2cmzB1 ILE 186 HG13 -0.00 -0.02 -0.30 -0.04 1.21 0.85 2cmzB1 ILE 186 HG23 -0.10 -0.01 -0.17 -0.04 0.93 0.60 2cmzB1 ILE 186 HD13 -0.50 -0.00 -0.15 -0.04 0.88 0.18 2cmzB1 THR 187 H -0.01 0.69 0.31 -0.55 8.28 8.71 2cmzB1 THR 187 HA -0.09 0.17 0.86 -0.75 4.39 4.58 2cmzB1 THR 187 HB -0.00 0.01 0.05 -0.04 4.32 4.34 2cmzB1 THR 187 HG23 -0.71 -0.00 -0.28 -0.04 1.22 0.19 2cmzB1 PHE 188 H -0.04 0.82 0.28 -0.55 8.34 8.85 2cmzB1 PHE 188 HA -0.22 0.28 1.09 -0.75 4.62 5.02 2cmzB1 PHE 188 HB2 -0.03 -0.03 -0.01 -0.04 3.15 3.04 2cmzB1 PHE 188 HB3 -0.09 0.08 0.11 -0.04 3.06 3.12 2cmzB1 PHE 188 HD2 -0.56 0.01 -0.09 -0.04 7.28 6.60 2cmzB1 PHE 188 HE2 -0.08 0.04 -0.15 -0.04 7.38 7.15 2cmzB1 PHE 188 HZ 0.00 0.00 -0.58 -0.04 7.32 6.70 2cmzB1 PHE 189 H -0.31 0.73 0.25 -0.55 8.34 8.46 2cmzB1 PHE 189 HA -0.35 0.39 0.64 -0.75 4.62 4.55 2cmzB1 PHE 189 HB2 -0.16 -0.11 -0.04 -0.04 3.15 2.79 2cmzB1 PHE 189 HB3 -0.09 -0.01 -0.33 -0.04 3.06 2.58 2cmzB1 PHE 189 HD2 -0.05 0.11 -0.50 -0.04 7.28 6.80 2cmzB1 PHE 189 HE2 0.06 0.03 -0.19 -0.04 7.38 7.24 2cmzB1 PHE 189 HZ 0.08 0.01 -0.14 -0.04 7.32 7.23 2cmzB1 SER 190 H -0.20 0.62 0.29 -0.55 8.46 8.62 2cmzB1 SER 190 HA -0.14 0.32 0.68 -0.75 4.49 4.60 2cmzB1 SER 190 HB2 -0.02 -0.04 0.12 -0.04 3.95 3.97 2cmzB1 SER 190 HB3 -0.41 0.16 -0.22 -0.04 3.93 3.42 2cmzB1 GLU 191 H -0.01 0.25 0.18 -0.55 8.60 8.49 2cmzB1 GLU 191 HA 0.01 0.16 0.43 -0.75 4.29 4.13 2cmzB1 GLU 191 HB2 0.02 -0.05 0.17 -0.04 2.09 2.19 2cmzB1 GLU 191 HB3 0.01 0.05 0.04 -0.04 1.99 2.06 2cmzB1 GLU 191 HG2 0.02 0.05 0.04 -0.04 2.34 2.41 2cmzB1 GLU 191 HG3 0.02 0.03 0.08 -0.04 2.34 2.43 2cmzB1 ASP 192 H 0.01 -0.00 -0.13 -0.55 8.40 7.73 2cmzB1 ASP 192 HA 0.01 0.30 0.82 -0.75 4.63 5.00 2cmzB1 ASP 192 HB2 0.02 0.05 0.09 -0.04 2.71 2.82 2cmzB1 ASP 192 HB3 0.02 0.03 -0.01 -0.04 2.70 2.69 2cmzB1 GLY 193 H -0.03 0.07 -0.26 -0.55 8.43 7.67 2cmzB1 GLY 193 HA2 -0.07 0.21 0.23 -0.51 4.01 3.87 2cmzB1 GLY 193 HA3 -0.03 0.10 0.35 -0.51 4.01 3.92 2cmzB1 GLU 194 H 0.06 -0.05 -0.34 -0.55 8.60 7.72 2cmzB1 GLU 194 HA 0.06 0.20 0.77 -0.75 4.29 4.57 2cmzB1 GLU 194 HB2 0.06 -0.05 -0.02 -0.04 2.09 2.04 2cmzB1 GLU 194 HB3 0.05 -0.10 -0.04 -0.04 1.99 1.86 2cmzB1 GLU 194 HG2 0.03 0.18 -0.24 -0.04 2.34 2.26 2cmzB1 GLU 194 HG3 0.03 0.01 -0.06 -0.04 2.34 2.27 2cmzB1 LEU 195 H 0.08 0.22 0.13 -0.55 8.37 8.24 2cmzB1 LEU 195 HA 0.14 0.15 0.37 -0.75 4.35 4.26 2cmzB1 LEU 195 HB2 0.03 -0.04 0.13 -0.04 1.64 1.71 2cmzB1 LEU 195 HB3 -0.02 0.00 -0.00 -0.04 1.64 1.58 2cmzB1 LEU 195 HG 0.06 0.05 0.06 -0.04 1.64 1.77 2cmzB1 LEU 195 HD13 0.01 -0.00 0.08 -0.04 0.93 0.97 2cmzB1 LEU 195 HD23 0.06 0.06 -0.00 -0.04 0.89 0.97 2cmzB1 SER 196 H 0.04 0.05 -0.25 -0.55 8.46 7.76 2cmzB1 SER 196 HA -0.01 0.11 0.37 -0.75 4.49 4.21 2cmzB1 SER 196 HB2 0.01 0.08 0.06 -0.04 3.95 4.05 2cmzB1 SER 196 HB3 0.01 -0.05 0.05 -0.04 3.93 3.91 2cmzB1 SER 197 H 0.15 0.39 -0.71 -0.55 8.46 7.75 2cmzB1 SER 197 HA 0.09 0.13 0.62 -0.75 4.49 4.58 2cmzB1 SER 197 HB2 0.34 0.19 -0.01 -0.04 3.95 4.43 2cmzB1 SER 197 HB3 0.20 -0.07 0.04 -0.04 3.93 4.07 2cmzB1 LEU 198 H -0.09 0.57 -0.19 -0.55 8.37 8.11 2cmzB1 LEU 198 HA -0.16 -0.07 0.39 -0.75 4.35 3.77 2cmzB1 LEU 198 HB2 -0.17 0.12 0.11 -0.04 1.64 1.66 2cmzB1 LEU 198 HB3 -0.08 0.04 -0.12 -0.04 1.64 1.45 2cmzB1 LEU 198 HG 0.03 -0.05 -0.07 -0.04 1.64 1.50 2cmzB1 LEU 198 HD13 0.06 -0.00 -0.03 -0.04 0.93 0.92 2cmzB1 LEU 198 HD23 -0.73 -0.03 0.04 -0.04 0.89 0.13 2cmzB1 GLY 199 H 0.20 0.09 0.15 -0.55 8.43 8.31 2cmzB1 GLY 199 HA2 -0.20 0.00 0.29 -0.51 4.01 3.59 2cmzB1 GLY 199 HA3 -0.34 0.28 0.65 -0.51 4.01 4.08 2cmzB1 LYS 200 H 0.10 0.43 -0.14 -0.55 8.42 8.26 2cmzB1 LYS 200 HA 0.04 0.09 0.44 -0.75 4.32 4.14 2cmzB1 LYS 200 HB2 0.12 0.07 0.02 -0.04 1.87 2.04 2cmzB1 LYS 200 HB3 0.07 -0.21 0.05 -0.04 1.79 1.65 2cmzB1 LYS 200 HG2 0.03 -0.01 0.00 -0.04 1.46 1.44 2cmzB1 LYS 200 HG3 0.04 0.21 -0.06 -0.04 1.46 1.62 2cmzB1 LYS 200 HD2 0.07 -0.08 0.05 -0.04 1.69 1.70 2cmzB1 LYS 200 HD3 0.05 -0.10 0.03 -0.04 1.68 1.61 2cmzB1 LYS 200 HE2 0.02 -0.00 -0.01 -0.04 2.99 2.96 2cmzB1 LYS 200 HE3 0.02 0.15 -0.01 -0.04 2.99 3.12 2cmzB1 GLU 201 H 0.06 0.08 0.14 -0.55 8.60 8.33 2cmzB1 GLU 201 HA 0.09 0.19 0.46 -0.75 4.29 4.28 2cmzB1 GLU 201 HB2 0.05 -0.03 0.21 -0.04 2.09 2.28 2cmzB1 GLU 201 HB3 0.05 -0.02 0.05 -0.04 1.99 2.03 2cmzB1 GLU 201 HG2 0.05 0.09 0.09 -0.04 2.34 2.53 2cmzB1 GLU 201 HG3 0.05 -0.02 0.06 -0.04 2.34 2.38 2cmzB1 GLY 202 H 0.06 0.08 -0.03 -0.55 8.43 7.99 2cmzB1 GLY 202 HA2 0.06 0.12 0.42 -0.51 4.01 4.10 2cmzB1 GLY 202 HA3 0.05 -0.03 0.37 -0.51 4.01 3.89 2cmzB1 THR 203 H 0.09 0.50 0.25 -0.55 8.28 8.57 2cmzB1 THR 203 HA -0.07 0.23 0.87 -0.75 4.39 4.66 2cmzB1 THR 203 HB -0.01 0.06 0.15 -0.04 4.32 4.48 2cmzB1 THR 203 HG23 0.16 -0.06 -0.29 -0.04 1.22 0.98 2cmzB1 GLY 204 H -0.30 0.57 0.36 -0.55 8.43 8.52 2cmzB1 GLY 204 HA2 -0.09 0.15 0.88 -0.51 4.01 4.44 2cmzB1 GLY 204 HA3 -0.26 -0.00 0.28 -0.51 4.01 3.52 2cmzB1 PHE 205 H -0.05 0.76 0.40 -0.55 8.34 8.89 2cmzB1 PHE 205 HA 0.31 0.36 0.93 -0.75 4.62 5.47 2cmzB1 PHE 205 HB2 0.31 -0.01 -0.01 -0.04 3.15 3.40 2cmzB1 PHE 205 HB3 0.38 -0.02 0.00 -0.04 3.06 3.38 2cmzB1 PHE 205 HD2 0.18 0.03 -0.21 -0.04 7.28 7.24 2cmzB1 PHE 205 HE2 0.27 -0.02 -0.08 -0.04 7.38 7.51 2cmzB1 PHE 205 HZ 0.38 -0.01 -0.07 -0.04 7.32 7.58 2cmzB1 ARG 206 H 0.29 0.50 0.32 -0.55 8.46 9.01 2cmzB1 ARG 206 HA -0.02 0.26 0.39 -0.75 4.34 4.22 2cmzB1 ARG 206 HB2 0.26 0.03 -0.03 -0.04 1.90 2.12 2cmzB1 ARG 206 HB3 0.41 -0.05 -0.05 -0.04 1.80 2.07 2cmzB1 ARG 206 HG2 0.03 0.12 0.05 -0.04 1.67 1.83 2cmzB1 ARG 206 HG3 0.14 -0.05 -0.03 -0.04 1.67 1.69 2cmzB1 ARG 206 HD2 0.08 -0.08 -0.30 -0.04 3.22 2.89 2cmzB1 ARG 206 HD3 -0.09 -0.00 -0.43 -0.04 3.22 2.66 2cmzB1 SER 207 H -0.56 0.81 0.25 -0.55 8.46 8.41 2cmzB1 SER 207 HA -0.23 0.11 0.73 -0.75 4.49 4.35 2cmzB1 SER 207 HB2 -0.93 0.10 -0.14 -0.04 3.95 2.93 2cmzB1 SER 207 HB3 -1.14 -0.07 0.02 -0.04 3.93 2.69 2cmzB1 ASN 208 H -0.06 0.20 0.14 -0.55 8.53 8.26 2cmzB1 ASN 208 HA -0.11 0.12 0.57 -0.75 4.76 4.59 2cmzB1 ASN 208 HB2 -0.15 0.03 0.12 -0.04 2.88 2.83 2cmzB1 ASN 208 HB3 -0.08 0.02 0.11 -0.04 2.79 2.80 2cmzB1 ASN 208 HD21 0.10 0.03 0.00 -0.04 7.03 7.11 2cmzB1 ASN 208 HD22 -0.15 -0.01 -0.02 -0.04 7.74 7.53 2cmzB1 TYR 209 H 0.04 -0.07 -0.44 -0.55 8.29 7.27 2cmzB1 TYR 209 HA 0.01 0.11 0.44 -0.75 4.56 4.36 2cmzB1 TYR 209 HB2 0.03 -0.05 -0.04 -0.04 3.06 2.96 2cmzB1 TYR 209 HB3 0.16 0.08 -0.05 -0.04 2.98 3.12 2cmzB1 TYR 209 HD2 0.00 -0.01 -0.08 -0.04 7.15 7.02 2cmzB1 TYR 209 HE2 0.00 -0.01 -0.10 -0.04 6.85 6.70 2cmzB1 PHE 210 H -0.29 0.19 -0.18 -0.55 8.34 7.50 2cmzB1 PHE 210 HA 0.04 0.13 0.55 -0.75 4.62 4.59 2cmzB1 PHE 210 HB2 0.05 0.08 -0.02 -0.04 3.15 3.21 2cmzB1 PHE 210 HB3 0.06 0.09 -0.13 -0.04 3.06 3.05 2cmzB1 PHE 210 HD2 0.08 0.22 -0.31 -0.04 7.28 7.24 2cmzB1 PHE 210 HE2 0.07 0.01 -0.29 -0.04 7.38 7.13 2cmzB1 PHE 210 HZ -0.03 0.01 -0.22 -0.04 7.32 7.04 2cmzB1 ALA 211 H 0.17 0.13 0.08 -0.55 8.40 8.23 2cmzB1 ALA 211 HA 0.08 -0.01 0.41 -0.75 4.34 4.06 2cmzB1 ALA 211 HB3 0.10 0.02 0.09 -0.04 1.41 1.58 2cmzB1 TYR 212 H 0.18 0.02 0.18 -0.55 8.29 8.11 2cmzB1 TYR 212 HA 0.10 0.24 0.68 -0.75 4.56 4.83 2cmzB1 TYR 212 HB2 -0.07 -0.04 0.07 -0.04 3.06 2.98 2cmzB1 TYR 212 HB3 -0.03 -0.07 0.05 -0.04 2.98 2.90 2cmzB1 TYR 212 HD2 -0.24 -0.03 -0.25 -0.04 7.15 6.59 2cmzB1 TYR 212 HE2 -0.91 -0.04 -0.20 -0.04 6.85 5.66 2cmzB1 GLU 213 H -0.25 0.66 0.46 -0.55 8.60 8.92 2cmzB1 GLU 213 HA -0.00 0.06 0.31 -0.75 4.29 3.91 2cmzB1 GLU 213 HB2 0.05 -0.05 0.17 -0.04 2.09 2.22 2cmzB1 GLU 213 HB3 0.08 0.12 0.03 -0.04 1.99 2.18 2cmzB1 GLU 213 HG2 0.16 0.07 -0.01 -0.04 2.34 2.53 2cmzB1 GLU 213 HG3 0.09 0.06 -0.11 -0.04 2.34 2.34 2cmzB1 THR 214 H 0.04 0.11 0.17 -0.55 8.28 8.05 2cmzB1 THR 214 HA -0.01 0.20 0.75 -0.75 4.39 4.58 2cmzB1 THR 214 HB 0.09 -0.01 0.23 -0.04 4.32 4.59 2cmzB1 THR 214 HG23 0.13 0.01 0.08 -0.04 1.22 1.40 2cmzB1 GLY 215 H 0.14 0.72 0.29 -0.55 8.43 9.04 2cmzB1 GLY 215 HA2 0.44 0.12 0.59 -0.51 4.01 4.65 2cmzB1 GLY 215 HA3 0.49 0.02 0.14 -0.51 4.01 4.15 2cmzB1 GLY 216 H 0.14 0.04 0.07 -0.55 8.43 8.13 2cmzB1 GLY 216 HA2 0.14 0.15 0.36 -0.51 4.01 4.16 2cmzB1 GLY 216 HA3 0.11 -0.05 0.39 -0.51 4.01 3.96 2cmzB1 LYS 217 H 0.11 0.01 -0.36 -0.55 8.42 7.63 2cmzB1 LYS 217 HA 0.09 0.22 0.59 -0.75 4.32 4.47 2cmzB1 LYS 217 HB2 0.07 -0.07 0.03 -0.04 1.87 1.85 2cmzB1 LYS 217 HB3 0.05 0.02 0.11 -0.04 1.79 1.94 2cmzB1 LYS 217 HG2 0.05 -0.03 -0.01 -0.04 1.46 1.43 2cmzB1 LYS 217 HG3 0.06 0.06 -0.01 -0.04 1.46 1.53 2cmzB1 LYS 217 HD2 0.08 -0.20 -0.43 -0.04 1.69 1.10 2cmzB1 LYS 217 HD3 0.06 -0.04 -0.06 -0.04 1.68 1.60 2cmzB1 LYS 217 HE2 0.05 -0.02 -0.04 -0.04 2.99 2.94 2cmzB1 LYS 217 HE3 0.06 0.11 -0.09 -0.04 2.99 3.03 2cmzB1 ALA 218 H 0.16 0.45 -0.26 -0.55 8.40 8.20 2cmzB1 ALA 218 HA -0.06 0.09 0.55 -0.75 4.34 4.16 2cmzB1 ALA 218 HB3 -0.00 -0.03 0.07 -0.04 1.41 1.41 2cmzB1 CYS 219 H -0.11 0.49 0.36 -0.55 8.50 8.69 2cmzB1 CYS 219 HA 0.11 0.22 0.75 -0.75 4.58 4.91 2cmzB1 CYS 219 HB2 0.09 0.03 -0.29 -0.04 2.97 2.77 2cmzB1 CYS 219 HB3 0.07 0.07 -0.16 -0.04 2.97 2.90 2cmzB1 LYS 220 H 0.17 1.04 0.22 -0.55 8.42 9.29 2cmzB1 LYS 220 HA 0.17 0.26 1.23 -0.75 4.32 5.23 2cmzB1 LYS 220 HB2 0.62 -0.03 0.05 -0.04 1.87 2.47 2cmzB1 LYS 220 HB3 0.28 -0.03 -0.04 -0.04 1.79 1.95 2cmzB1 LYS 220 HG2 0.16 0.17 -0.48 -0.04 1.46 1.27 2cmzB1 LYS 220 HG3 0.38 -0.12 -0.14 -0.04 1.46 1.53 2cmzB1 LYS 220 HD2 -0.21 -0.09 -0.10 -0.04 1.69 1.25 2cmzB1 LYS 220 HD3 -0.12 0.06 -0.10 -0.04 1.68 1.47 2cmzB1 LYS 220 HE2 -0.07 0.08 -0.11 -0.04 2.99 2.85 2cmzB1 LYS 220 HE3 -0.29 -0.09 -0.07 -0.04 2.99 2.49 2cmzB1 MET 221 H 0.44 0.52 0.29 -0.55 8.47 9.17 2cmzB1 MET 221 HA 0.25 0.06 0.43 -0.75 4.52 4.51 2cmzB1 MET 221 HB2 0.03 0.04 0.10 -0.04 2.15 2.28 2cmzB1 MET 221 HB3 0.16 0.06 -0.02 -0.04 2.03 2.19 2cmzB1 MET 221 HG2 0.29 -0.06 -0.21 -0.04 2.63 2.61 2cmzB1 MET 221 HG3 0.17 -0.02 -0.37 -0.04 2.56 2.31 2cmzB1 MET 221 HE3 0.09 0.04 -0.09 -0.04 2.10 2.10 2cmzB1 GLN 222 H -0.47 0.15 0.12 -0.55 8.47 7.73 2cmzB1 GLN 222 HA -0.43 0.36 0.81 -0.75 4.36 4.35 2cmzB1 GLN 222 HB2 -0.56 0.04 0.11 -0.04 2.15 1.70 2cmzB1 GLN 222 HB3 -0.52 -0.10 -0.15 -0.04 2.02 1.21 2cmzB1 GLN 222 HG2 -1.49 -0.02 -0.39 -0.04 2.40 0.47 2cmzB1 GLN 222 HG3 -2.82 -0.03 -0.15 -0.04 2.39 -0.65 2cmzB1 GLN 222 HE21 -0.08 -0.01 -0.04 -0.04 6.97 6.80 2cmzB1 GLN 222 HE22 -0.45 0.02 -0.03 -0.04 7.69 7.19 2cmzB1 TYR 223 H -0.34 0.67 0.19 -0.55 8.29 8.26 2cmzB1 TYR 223 HA -0.63 0.17 0.55 -0.75 4.56 3.90 2cmzB1 TYR 223 HB2 -1.45 0.05 -0.04 -0.04 3.06 1.58 2cmzB1 TYR 223 HB3 -2.65 0.00 -0.00 -0.04 2.98 0.28 2cmzB1 TYR 223 HD2 -0.69 -0.02 -0.16 -0.04 7.15 6.25 2cmzB1 TYR 223 HE2 -0.52 -0.03 -0.13 -0.04 6.85 6.13 2cmzB1 CYS 224 H -0.79 0.78 0.16 -0.55 8.50 8.10 2cmzB1 CYS 224 HA -0.57 -0.08 0.27 -0.75 4.58 3.44 2cmzB1 CYS 224 HB2 -1.68 0.01 -0.25 -0.04 2.97 1.02 2cmzB1 CYS 224 HB3 -0.45 0.04 0.15 -0.04 2.97 2.67 2cmzB1 LYS 225 H -0.40 0.12 -0.39 -0.55 8.42 7.20 2cmzB1 LYS 225 HA -0.32 0.02 0.08 -0.75 4.32 3.36 2cmzB1 LYS 225 HB2 -0.36 0.11 -0.24 -0.04 1.87 1.34 2cmzB1 LYS 225 HB3 -0.26 -0.02 0.14 -0.04 1.79 1.61 2cmzB1 LYS 225 HG2 -0.21 0.06 -0.05 -0.04 1.46 1.21 2cmzB1 LYS 225 HG3 -0.29 -0.07 -0.22 -0.04 1.46 0.83 2cmzB1 LYS 225 HD2 -0.26 -0.06 -0.11 -0.04 1.69 1.21 2cmzB1 LYS 225 HD3 -0.18 -0.03 -0.03 -0.04 1.68 1.40 2cmzB1 LYS 225 HE2 -0.19 0.06 0.01 -0.04 2.99 2.83 2cmzB1 LYS 225 HE3 -0.30 0.00 -0.00 -0.04 2.99 2.65 2cmzB1 HIS 226 H -0.20 0.26 -0.59 -0.55 8.41 7.34 2cmzB1 HIS 226 HA 0.08 0.11 0.84 -0.75 4.63 4.91 2cmzB1 HIS 226 HB2 0.26 0.17 0.00 -0.04 3.26 3.64 2cmzB1 HIS 226 HB3 0.31 0.03 -0.12 -0.04 3.20 3.37 2cmzB1 HIS 226 HD2 0.00 0.08 -0.06 -0.04 6.97 6.94 2cmzB1 HIS 226 HE1 0.04 -0.08 -0.03 -0.04 7.75 7.63 2cmzB1 TRP 227 H 0.42 0.12 0.05 -0.55 7.97 8.02 2cmzB1 TRP 227 HA 0.31 0.20 0.70 -0.75 4.62 5.08 2cmzB1 TRP 227 HB2 0.27 -0.05 0.10 -0.04 3.23 3.51 2cmzB1 TRP 227 HB3 0.48 0.07 -0.04 -0.04 3.23 3.69 2cmzB1 TRP 227 HD1 0.13 -0.01 -0.05 -0.04 7.22 7.25 2cmzB1 TRP 227 HE1 0.07 -0.01 -0.08 -0.04 10.20 10.13 2cmzB1 TRP 227 HE3 0.28 0.08 -0.18 -0.04 7.59 7.73 2cmzB1 TRP 227 HZ2 0.06 -0.01 -0.06 -0.04 7.44 7.38 2cmzB1 TRP 227 HZ3 0.13 0.14 -0.29 -0.04 7.13 7.06 2cmzB1 TRP 227 HH2 0.07 0.02 -0.04 -0.04 7.19 7.20 2cmzB1 GLY 228 H 0.54 0.58 0.28 -0.55 8.43 9.28 2cmzB1 GLY 228 HA2 -0.79 -0.02 0.54 -0.51 4.01 3.23 2cmzB1 GLY 228 HA3 -1.08 0.07 0.31 -0.51 4.01 2.81 2cmzB1 VAL 229 H -1.49 0.87 0.39 -0.55 8.24 7.47 2cmzB1 VAL 229 HA -0.53 0.27 0.82 -0.75 4.13 3.95 2cmzB1 VAL 229 HB -2.18 -0.07 0.12 -0.04 2.12 -0.06 2cmzB1 VAL 229 HG13 -0.91 0.01 -0.19 -0.04 0.97 -0.16 2cmzB1 VAL 229 HG23 -0.56 -0.01 -0.10 -0.04 0.95 0.24 2cmzB1 ARG 230 H -0.20 0.66 0.36 -0.55 8.46 8.73 2cmzB1 ARG 230 HA -0.11 0.25 1.02 -0.75 4.34 4.74 2cmzB1 ARG 230 HB2 0.20 -0.07 -0.02 -0.04 1.90 1.97 2cmzB1 ARG 230 HB3 0.01 -0.05 0.06 -0.04 1.80 1.78 2cmzB1 ARG 230 HG2 -0.01 0.14 -0.08 -0.04 1.67 1.68 2cmzB1 ARG 230 HG3 0.12 -0.02 -0.11 -0.04 1.67 1.62 2cmzB1 ARG 230 HD2 0.06 0.20 -0.13 -0.04 3.22 3.31 2cmzB1 ARG 230 HD3 0.07 -0.08 -0.14 -0.04 3.22 3.03 2cmzB1 LEU 231 H -0.25 0.69 0.17 -0.55 8.37 8.43 2cmzB1 LEU 231 HA -0.19 0.16 0.71 -0.75 4.35 4.28 2cmzB1 LEU 231 HB2 -0.33 0.04 0.05 -0.04 1.64 1.37 2cmzB1 LEU 231 HB3 -0.19 -0.11 0.01 -0.04 1.64 1.31 2cmzB1 LEU 231 HG -0.19 0.05 -0.04 -0.04 1.64 1.41 2cmzB1 LEU 231 HD13 -0.71 0.01 -0.16 -0.04 0.93 0.02 2cmzB1 LEU 231 HD23 -0.42 -0.01 -0.15 -0.04 0.89 0.27 2cmzB1 PRO 232 HA -0.01 0.15 0.28 -0.51 4.44 4.35 2cmzB1 PRO 232 HB2 0.01 -0.01 -0.03 -0.04 2.28 2.22 2cmzB1 PRO 232 HB3 0.02 0.04 0.06 -0.04 2.02 2.10 2cmzB1 PRO 232 HG2 0.04 -0.01 -0.00 -0.04 2.03 2.02 2cmzB1 PRO 232 HG3 0.03 0.13 -0.11 -0.04 2.03 2.04 2cmzB1 PRO 232 HD2 -0.01 0.11 0.13 -0.04 3.68 3.87 2cmzB1 PRO 232 HD3 -0.02 0.15 0.07 -0.04 3.65 3.81 2cmzB1 SER 233 H -0.06 0.05 -0.43 -0.55 8.46 7.47 2cmzB1 SER 233 HA -0.01 0.11 0.45 -0.75 4.49 4.28 2cmzB1 SER 233 HB2 -0.03 0.03 0.07 -0.04 3.95 3.98 2cmzB1 SER 233 HB3 -0.02 0.02 0.04 -0.04 3.93 3.92 2cmzB1 GLY 234 H -0.07 0.70 -0.34 -0.55 8.43 8.17 2cmzB1 GLY 234 HA2 -0.03 0.12 0.30 -0.51 4.01 3.90 2cmzB1 GLY 234 HA3 -0.05 0.12 0.67 -0.51 4.01 4.25 2cmzB1 VAL 235 H -0.14 0.00 -0.33 -0.55 8.24 7.22 2cmzB1 VAL 235 HA -0.10 0.24 0.60 -0.75 4.13 4.12 2cmzB1 VAL 235 HB -0.44 -0.11 0.01 -0.04 2.12 1.54 2cmzB1 VAL 235 HG13 -0.56 -0.00 -0.24 -0.04 0.97 0.13 2cmzB1 VAL 235 HG23 -0.15 0.02 -0.07 -0.04 0.95 0.71 2cmzB1 TRP 236 H 0.06 0.31 0.29 -0.55 7.97 8.08 2cmzB1 TRP 236 HA -0.31 0.41 1.05 -0.75 4.62 5.02 2cmzB1 TRP 236 HB2 -0.18 0.04 -0.09 -0.04 3.23 2.96 2cmzB1 TRP 236 HB3 -0.23 -0.02 0.09 -0.04 3.23 3.03 2cmzB1 TRP 236 HD1 -0.14 -0.01 -0.37 -0.04 7.22 6.66 2cmzB1 TRP 236 HE1 -0.08 0.28 -0.23 -0.04 10.20 10.13 2cmzB1 TRP 236 HE3 -0.20 0.01 -0.27 -0.04 7.59 7.09 2cmzB1 TRP 236 HZ2 -0.02 0.10 -0.42 -0.04 7.44 7.06 2cmzB1 TRP 236 HZ3 -0.01 -0.02 -0.19 -0.04 7.13 6.87 2cmzB1 TRP 236 HH2 0.05 -0.01 -0.22 -0.04 7.19 6.96 2cmzB1 PHE 237 H -1.36 0.59 0.34 -0.55 8.34 7.36 2cmzB1 PHE 237 HA -0.52 0.26 0.80 -0.75 4.62 4.40 2cmzB1 PHE 237 HB2 -0.29 0.04 0.02 -0.04 3.15 2.88 2cmzB1 PHE 237 HB3 -0.22 0.01 -0.13 -0.04 3.06 2.68 2cmzB1 PHE 237 HD2 -0.34 -0.02 -0.40 -0.04 7.28 6.48 2cmzB1 PHE 237 HE2 -0.41 -0.02 -0.14 -0.04 7.38 6.76 2cmzB1 PHE 237 HZ -0.42 0.01 -0.11 -0.04 7.32 6.76 2cmzB1 GLU 238 H -0.38 0.62 0.30 -0.55 8.60 8.60 2cmzB1 GLU 238 HA -0.68 0.09 1.02 -0.75 4.29 3.97 2cmzB1 GLU 238 HB2 -0.27 0.06 -0.08 -0.04 2.09 1.76 2cmzB1 GLU 238 HB3 -0.18 -0.01 0.08 -0.04 1.99 1.85 2cmzB1 GLU 238 HG2 -0.14 -0.03 -0.40 -0.04 2.34 1.73 2cmzB1 GLU 238 HG3 -0.18 0.09 0.01 -0.04 2.34 2.21 2cmzB1 MET 239 H -0.32 0.17 0.14 -0.55 8.47 7.90 2cmzB1 MET 239 HA -0.02 0.20 0.63 -0.75 4.52 4.57 2cmzB1 MET 239 HB2 -0.09 0.04 -0.01 -0.04 2.15 2.05 2cmzB1 MET 239 HB3 0.03 -0.15 0.04 -0.04 2.03 1.91 2cmzB1 MET 239 HG2 0.19 0.06 -0.01 -0.04 2.63 2.83 2cmzB1 MET 239 HG3 0.04 -0.01 -0.00 -0.04 2.56 2.55 2cmzB1 MET 239 HE3 0.13 0.02 -0.04 -0.04 2.10 2.16 2cmzB1 ALA 240 H -0.02 0.37 0.00 -0.55 8.40 8.21 2cmzB1 ALA 240 HA -0.02 0.15 0.56 -0.75 4.34 4.28 2cmzB1 ALA 240 HB3 -0.01 -0.01 0.03 -0.04 1.41 1.38 2cmzB1 ASP 241 H 0.02 0.12 -0.07 -0.55 8.40 7.93 2cmzB1 ASP 241 HA 0.04 0.12 0.64 -0.75 4.63 4.68 2cmzB1 ASP 241 HB2 0.02 0.06 0.09 -0.04 2.71 2.84 2cmzB1 ASP 241 HB3 0.05 0.02 0.16 -0.04 2.70 2.90 2cmzB1 LYS 242 H 0.07 0.27 0.21 -0.55 8.42 8.41 2cmzB1 LYS 242 HA 0.22 0.16 0.49 -0.75 4.32 4.44 2cmzB1 LYS 242 HB2 0.08 0.03 0.15 -0.04 1.87 2.09 2cmzB1 LYS 242 HB3 0.11 0.01 -0.03 -0.04 1.79 1.84 2cmzB1 LYS 242 HG2 0.12 0.02 0.02 -0.04 1.46 1.58 2cmzB1 LYS 242 HG3 0.22 0.00 0.02 -0.04 1.46 1.66 2cmzB1 LYS 242 HD2 0.06 -0.06 -0.15 -0.04 1.69 1.49 2cmzB1 LYS 242 HD3 0.04 0.10 -0.16 -0.04 1.68 1.62 2cmzB1 LYS 242 HE2 -0.01 0.11 -0.01 -0.04 2.99 3.03 2cmzB1 LYS 242 HE3 0.12 -0.05 0.01 -0.04 2.99 3.03 2cmzB1 ASP 243 H 0.06 0.08 -0.00 -0.55 8.40 7.99 2cmzB1 ASP 243 HA 0.03 0.14 0.52 -0.75 4.63 4.57 2cmzB1 ASP 243 HB2 0.03 -0.08 0.09 -0.04 2.71 2.72 2cmzB1 ASP 243 HB3 0.02 0.08 -0.04 -0.04 2.70 2.71 2cmzB1 LEU 244 H 0.06 0.03 -0.26 -0.55 8.37 7.64 2cmzB1 LEU 244 HA 0.01 0.09 0.33 -0.75 4.35 4.03 2cmzB1 LEU 244 HB2 0.05 -0.10 0.06 -0.04 1.64 1.61 2cmzB1 LEU 244 HB3 0.06 0.11 -0.13 -0.04 1.64 1.63 2cmzB1 LEU 244 HG 0.01 -0.05 -0.04 -0.04 1.64 1.52 2cmzB1 LEU 244 HD13 -0.00 -0.01 -0.04 -0.04 0.93 0.84 2cmzB1 LEU 244 HD23 -0.02 0.02 -0.13 -0.04 0.89 0.71 2cmzB1 PHE 245 H 0.23 0.32 -0.28 -0.55 8.34 8.06 2cmzB1 PHE 245 HA 0.14 0.05 0.40 -0.75 4.62 4.45 2cmzB1 PHE 245 HB2 0.08 -0.00 0.08 -0.04 3.15 3.27 2cmzB1 PHE 245 HB3 0.06 0.04 0.15 -0.04 3.06 3.26 2cmzB1 PHE 245 HD2 0.16 -0.02 -0.05 -0.04 7.28 7.33 2cmzB1 PHE 245 HE2 0.07 0.00 -0.17 -0.04 7.38 7.23 2cmzB1 PHE 245 HZ 0.26 0.03 -0.15 -0.04 7.32 7.42 2cmzB1 ALA 246 H 0.04 0.43 -0.26 -0.55 8.40 8.07 2cmzB1 ALA 246 HA -0.31 0.04 0.44 -0.75 4.34 3.75 2cmzB1 ALA 246 HB3 -0.07 0.00 0.11 -0.04 1.41 1.41 2cmzB1 ALA 247 H -0.06 0.53 -0.07 -0.55 8.40 8.26 2cmzB1 ALA 247 HA -0.09 -0.01 0.35 -0.75 4.34 3.84 2cmzB1 ALA 247 HB3 -0.05 -0.01 0.08 -0.04 1.41 1.39 2cmzB1 ALA 248 H -0.19 0.23 -0.67 -0.55 8.40 7.22 2cmzB1 ALA 248 HA -0.29 0.21 0.22 -0.75 4.34 3.73 2cmzB1 ALA 248 HB3 -0.69 -0.01 -0.12 -0.04 1.41 0.55 2cmzB1 ARG 249 H -0.29 0.32 -0.35 -0.55 8.46 7.59 2cmzB1 ARG 249 HA -0.21 -0.01 0.29 -0.75 4.34 3.66 2cmzB1 ARG 249 HB2 -0.14 0.09 -0.03 -0.04 1.90 1.77 2cmzB1 ARG 249 HB3 -0.12 -0.09 0.13 -0.04 1.80 1.67 2cmzB1 ARG 249 HG2 -0.15 0.19 -0.17 -0.04 1.67 1.49 2cmzB1 ARG 249 HG3 -0.10 -0.07 -0.07 -0.04 1.67 1.39 2cmzB1 ARG 249 HD2 -0.10 -0.08 0.01 -0.04 3.22 3.02 2cmzB1 ARG 249 HD3 -0.14 0.04 0.04 -0.04 3.22 3.12 2cmzB1 PHE 250 H -0.38 -0.02 -0.34 -0.55 8.34 7.05 2cmzB1 PHE 250 HA -0.01 0.19 0.48 -0.75 4.62 4.53 2cmzB1 PHE 250 HB2 -0.07 -0.12 -0.08 -0.04 3.15 2.85 2cmzB1 PHE 250 HB3 0.03 0.06 -0.18 -0.04 3.06 2.93 2cmzB1 PHE 250 HD2 -0.03 0.13 -0.11 -0.04 7.28 7.23 2cmzB1 PHE 250 HE2 0.20 -0.04 -0.07 -0.04 7.38 7.43 2cmzB1 PHE 250 HZ 0.18 -0.11 -0.10 -0.04 7.32 7.25 2cmzB1 PRO 251 HA 0.05 0.06 0.66 -0.51 4.44 4.70 2cmzB1 PRO 251 HB2 0.07 0.10 0.05 -0.04 2.28 2.46 2cmzB1 PRO 251 HB3 0.05 -0.02 0.15 -0.04 2.02 2.16 2cmzB1 PRO 251 HG2 0.11 0.04 0.06 -0.04 2.03 2.20 2cmzB1 PRO 251 HG3 0.09 0.01 0.11 -0.04 2.03 2.20 2cmzB1 PRO 251 HD2 0.27 0.28 0.30 -0.04 3.68 4.49 2cmzB1 PRO 251 HD3 0.12 0.18 0.26 -0.04 3.65 4.17 2cmzB1 GLU 252 H 0.07 0.05 0.16 -0.55 8.60 8.34 2cmzB1 GLU 252 HA 0.21 0.20 0.75 -0.75 4.29 4.70 2cmzB1 GLU 252 HB2 0.09 -0.10 0.15 -0.04 2.09 2.20 2cmzB1 GLU 252 HB3 0.15 0.15 0.03 -0.04 1.99 2.28 2cmzB1 GLU 252 HG2 0.23 0.05 0.05 -0.04 2.34 2.63 2cmzB1 GLU 252 HG3 0.06 -0.04 0.07 -0.04 2.34 2.38 2cmzB1 CYS 253 H 0.18 0.57 0.21 -0.55 8.50 8.91 2cmzB1 CYS 253 HA 0.08 0.08 0.53 -0.75 4.58 4.52 2cmzB1 CYS 253 HB2 0.11 -0.02 -0.00 -0.04 2.97 3.01 2cmzB1 CYS 253 HB3 0.07 0.02 0.01 -0.04 2.97 3.03 2cmzB1 PRO 254 HA 0.04 0.04 0.46 -0.51 4.44 4.48 2cmzB1 PRO 254 HB2 0.03 -0.03 -0.13 -0.04 2.28 2.11 2cmzB1 PRO 254 HB3 0.03 -0.02 0.07 -0.04 2.02 2.06 2cmzB1 PRO 254 HG2 0.03 0.04 0.04 -0.04 2.03 2.09 2cmzB1 PRO 254 HG3 0.04 0.05 0.07 -0.04 2.03 2.15 2cmzB1 PRO 254 HD2 0.05 0.09 0.14 -0.04 3.68 3.91 2cmzB1 PRO 254 HD3 0.05 0.21 0.18 -0.04 3.65 4.05 2cmzB1 GLU 255 H 0.03 0.07 0.12 -0.55 8.60 8.27 2cmzB1 GLU 255 HA 0.03 0.13 0.18 -0.75 4.29 3.88 2cmzB1 GLU 255 HB2 0.02 -0.02 0.17 -0.04 2.09 2.22 2cmzB1 GLU 255 HB3 -0.00 -0.02 0.10 -0.04 1.99 2.02 2cmzB1 GLU 255 HG2 0.01 0.04 0.06 -0.04 2.34 2.41 2cmzB1 GLU 255 HG3 0.02 -0.01 0.04 -0.04 2.34 2.35 2cmzB1 GLY 256 H -0.00 0.02 -0.15 -0.55 8.43 7.76 2cmzB1 GLY 256 HA2 -0.05 0.11 0.28 -0.51 4.01 3.84 2cmzB1 GLY 256 HA3 -0.03 -0.05 0.31 -0.51 4.01 3.72 2cmzB1 SER 257 H 0.01 0.52 -0.47 -0.55 8.46 7.98 2cmzB1 SER 257 HA 0.02 -0.01 0.45 -0.75 4.49 4.19 2cmzB1 SER 257 HB2 0.06 0.03 0.02 -0.04 3.95 4.01 2cmzB1 SER 257 HB3 0.06 0.03 -0.08 -0.04 3.93 3.89 2cmzB1 SER 258 H 0.03 0.12 0.20 -0.55 8.46 8.26 2cmzB1 SER 258 HA 0.16 0.13 0.84 -0.75 4.49 4.86 2cmzB1 SER 258 HB2 0.12 0.10 0.10 -0.04 3.95 4.23 2cmzB1 SER 258 HB3 0.01 -0.01 0.03 -0.04 3.93 3.92 2cmzB1 ILE 259 H 0.35 0.10 0.17 -0.55 8.25 8.31 2cmzB1 ILE 259 HA 0.01 0.35 1.09 -0.75 4.18 4.87 2cmzB1 ILE 259 HB -0.02 0.14 0.10 -0.04 1.89 2.07 2cmzB1 ILE 259 HG12 -0.32 -0.07 -0.07 -0.04 1.49 0.99 2cmzB1 ILE 259 HG13 -0.10 -0.13 -0.19 -0.04 1.21 0.74 2cmzB1 ILE 259 HG23 -0.09 -0.01 -0.19 -0.04 0.93 0.61 2cmzB1 ILE 259 HD13 -0.20 0.05 -0.08 -0.04 0.88 0.60 2cmzB1 SER 260 H -0.12 0.80 0.18 -0.55 8.46 8.77 2cmzB1 SER 260 HA -0.34 0.19 1.02 -0.75 4.49 4.60 2cmzB1 SER 260 HB2 -0.11 -0.07 -0.31 -0.04 3.95 3.42 2cmzB1 SER 260 HB3 -0.13 -0.04 -0.24 -0.04 3.93 3.48 2cmzB1 ALA 261 H -0.38 0.63 0.22 -0.55 8.40 8.32 2cmzB1 ALA 261 HA -0.17 0.30 0.95 -0.75 4.34 4.67 2cmzB1 ALA 261 HB3 -0.40 -0.02 -0.04 -0.04 1.41 0.90 2cmzB1 PRO 262 HA 0.02 0.06 0.81 -0.51 4.44 4.82 2cmzB1 PRO 262 HB2 0.27 0.00 0.08 -0.04 2.28 2.59 2cmzB1 PRO 262 HB3 0.12 0.11 0.17 -0.04 2.02 2.38 2cmzB1 PRO 262 HG2 0.26 -0.04 0.02 -0.04 2.03 2.23 2cmzB1 PRO 262 HG3 0.11 0.01 -0.01 -0.04 2.03 2.10 2cmzB1 PRO 262 HD2 0.06 0.16 0.26 -0.04 3.68 4.12 2cmzB1 PRO 262 HD3 -0.02 0.25 0.18 -0.04 3.65 4.02 2cmzB1 SER 263 H 0.03 0.17 0.22 -0.55 8.46 8.34 2cmzB1 SER 263 HA 0.08 0.17 0.78 -0.75 4.49 4.77 2cmzB1 SER 263 HB2 0.02 -0.10 0.24 -0.04 3.95 4.08 2cmzB1 SER 263 HB3 0.01 0.11 0.16 -0.04 3.93 4.17 2cmzB1 GLN 264 H 0.05 0.20 0.21 -0.55 8.47 8.38 2cmzB1 GLN 264 HA -0.05 0.11 0.54 -0.75 4.36 4.20 2cmzB1 GLN 264 HB2 0.01 0.02 0.16 -0.04 2.15 2.30 2cmzB1 GLN 264 HB3 -0.02 0.01 0.08 -0.04 2.02 2.06 2cmzB1 GLN 264 HG2 0.08 0.02 0.11 -0.04 2.40 2.57 2cmzB1 GLN 264 HG3 0.04 0.04 0.07 -0.04 2.39 2.50 2cmzB1 GLN 264 HE21 0.42 0.02 -0.02 -0.04 6.97 7.35 2cmzB1 GLN 264 HE22 0.24 0.04 -0.01 -0.04 7.69 7.92 2cmzB1 THR 265 H -0.01 0.12 -0.11 -0.55 8.28 7.72 2cmzB1 THR 265 HA -0.04 0.04 0.68 -0.75 4.39 4.32 2cmzB1 THR 265 HB -0.03 -0.02 0.15 -0.04 4.32 4.39 2cmzB1 THR 265 HG23 -0.01 -0.01 0.08 -0.04 1.22 1.24 2cmzB1 SER 266 H -0.05 0.36 -0.44 -0.55 8.46 7.78 2cmzB1 SER 266 HA -0.04 0.10 0.75 -0.75 4.49 4.55 2cmzB1 SER 266 HB2 0.01 0.04 0.11 -0.04 3.95 4.07 2cmzB1 SER 266 HB3 0.01 -0.07 0.12 -0.04 3.93 3.94 2cmzB1 VAL 267 H -0.27 0.14 -0.04 -0.55 8.24 7.52 2cmzB1 VAL 267 HA -0.26 0.22 0.61 -0.75 4.13 3.95 2cmzB1 VAL 267 HB -0.19 0.19 0.21 -0.04 2.12 2.28 2cmzB1 VAL 267 HG13 -0.15 -0.03 -0.05 -0.04 0.97 0.70 2cmzB1 VAL 267 HG23 -0.73 -0.01 -0.01 -0.04 0.95 0.15 2cmzB1 ASP 268 H -0.09 0.37 -0.11 -0.55 8.40 8.02 2cmzB1 ASP 268 HA -0.06 -0.02 0.40 -0.75 4.63 4.20 2cmzB1 ASP 268 HB2 -0.05 0.18 0.19 -0.04 2.71 2.99 2cmzB1 ASP 268 HB3 -0.04 -0.01 -0.00 -0.04 2.70 2.60 2cmzB1 VAL 269 H -0.06 0.49 -0.20 -0.55 8.24 7.92 2cmzB1 VAL 269 HA -0.04 -0.02 0.42 -0.75 4.13 3.74 2cmzB1 VAL 269 HB -0.04 0.14 0.20 -0.04 2.12 2.37 2cmzB1 VAL 269 HG13 -0.02 -0.02 -0.10 -0.04 0.97 0.79 2cmzB1 VAL 269 HG23 -0.03 0.09 0.05 -0.04 0.95 1.02 2cmzB1 SER 270 H -0.07 0.62 -0.14 -0.55 8.46 8.32 2cmzB1 SER 270 HA -0.06 -0.04 0.39 -0.75 4.49 4.03 2cmzB1 SER 270 HB2 -0.10 0.23 0.26 -0.04 3.95 4.30 2cmzB1 SER 270 HB3 -0.08 -0.14 -0.03 -0.04 3.93 3.64 2cmzB1 LEU 271 H -0.07 0.58 -0.11 -0.55 8.37 8.22 2cmzB1 LEU 271 HA -0.06 0.00 0.54 -0.75 4.35 4.08 2cmzB1 LEU 271 HB2 -0.06 0.16 0.16 -0.04 1.64 1.86 2cmzB1 LEU 271 HB3 -0.05 -0.06 0.01 -0.04 1.64 1.50 2cmzB1 LEU 271 HG -0.07 0.19 0.06 -0.04 1.64 1.77 2cmzB1 LEU 271 HD13 -0.05 -0.02 -0.05 -0.04 0.93 0.76 2cmzB1 LEU 271 HD23 -0.05 -0.02 0.01 -0.04 0.89 0.79 2cmzB1 ILE 272 H -0.06 0.59 -0.08 -0.55 8.25 8.15 2cmzB1 ILE 272 HA -0.05 -0.02 0.52 -0.75 4.18 3.88 2cmzB1 ILE 272 HB -0.05 0.21 0.22 -0.04 1.89 2.22 2cmzB1 ILE 272 HG12 -0.04 -0.06 0.05 -0.04 1.49 1.40 2cmzB1 ILE 272 HG13 -0.04 -0.04 0.01 -0.04 1.21 1.11 2cmzB1 ILE 272 HG23 -0.06 -0.02 -0.09 -0.04 0.93 0.73 2cmzB1 ILE 272 HD13 -0.04 0.02 -0.03 -0.04 0.88 0.79 2cmzB1 GLN 273 H -0.06 0.69 -0.03 -0.55 8.47 8.52 2cmzB1 GLN 273 HA -0.08 0.00 0.56 -0.75 4.36 4.09 2cmzB1 GLN 273 HB2 -0.07 0.13 0.12 -0.04 2.15 2.29 2cmzB1 GLN 273 HB3 -0.10 -0.08 0.00 -0.04 2.02 1.81 2cmzB1 GLN 273 HG2 -0.05 -0.05 0.02 -0.04 2.40 2.28 2cmzB1 GLN 273 HG3 -0.05 0.10 0.03 -0.04 2.39 2.42 2cmzB1 GLN 273 HE21 0.01 -0.01 -0.03 -0.04 6.97 6.90 2cmzB1 GLN 273 HE22 -0.01 -0.00 -0.03 -0.04 7.69 7.61 2cmzB1 ASP 274 H -0.09 0.45 -0.32 -0.55 8.40 7.90 2cmzB1 ASP 274 HA -0.16 -0.00 0.47 -0.75 4.63 4.18 2cmzB1 ASP 274 HB2 -0.07 0.30 0.23 -0.04 2.71 3.13 2cmzB1 ASP 274 HB3 -0.07 -0.08 0.04 -0.04 2.70 2.55 2cmzB1 VAL 275 H -0.06 0.39 -0.16 -0.55 8.24 7.86 2cmzB1 VAL 275 HA -0.03 0.05 0.45 -0.75 4.13 3.86 2cmzB1 VAL 275 HB -0.03 0.09 0.15 -0.04 2.12 2.28 2cmzB1 VAL 275 HG13 -0.01 -0.02 -0.11 -0.04 0.97 0.79 2cmzB1 VAL 275 HG23 -0.03 0.04 0.04 -0.04 0.95 0.96 2cmzB1 GLU 276 H -0.06 0.65 0.04 -0.55 8.60 8.68 2cmzB1 GLU 276 HA -0.01 -0.02 0.48 -0.75 4.29 3.99 2cmzB1 GLU 276 HB2 -0.09 0.11 0.15 -0.04 2.09 2.22 2cmzB1 GLU 276 HB3 -0.08 0.09 0.16 -0.04 1.99 2.12 2cmzB1 GLU 276 HG2 0.01 -0.05 -0.13 -0.04 2.34 2.13 2cmzB1 GLU 276 HG3 -0.19 -0.03 0.05 -0.04 2.34 2.13 2cmzB1 ARG 277 H -0.11 0.60 -0.27 -0.55 8.46 8.13 2cmzB1 ARG 277 HA -0.06 -0.00 0.46 -0.75 4.34 3.98 2cmzB1 ARG 277 HB2 -0.34 0.10 0.13 -0.04 1.90 1.75 2cmzB1 ARG 277 HB3 -0.36 0.14 0.13 -0.04 1.80 1.68 2cmzB1 ARG 277 HG2 -1.29 -0.02 -0.20 -0.04 1.67 0.12 2cmzB1 ARG 277 HG3 -0.85 -0.06 0.03 -0.04 1.67 0.76 2cmzB1 ARG 277 HD2 -0.90 0.05 -0.02 -0.04 3.22 2.30 2cmzB1 ARG 277 HD3 -2.50 -0.02 -0.07 -0.04 3.22 0.59 2cmzB1 ILE 278 H -0.04 0.40 -0.13 -0.55 8.25 7.92 2cmzB1 ILE 278 HA 0.28 0.05 0.63 -0.75 4.18 4.38 2cmzB1 ILE 278 HB 0.14 -0.05 0.09 -0.04 1.89 2.03 2cmzB1 ILE 278 HG12 -0.00 0.24 0.25 -0.04 1.49 1.93 2cmzB1 ILE 278 HG13 0.04 0.04 0.01 -0.04 1.21 1.25 2cmzB1 ILE 278 HG23 0.12 0.01 0.03 -0.04 0.93 1.06 2cmzB1 ILE 278 HD13 0.03 -0.03 0.01 -0.04 0.88 0.85 2cmzB1 LEU 279 H 0.05 0.55 -0.12 -0.55 8.37 8.30 2cmzB1 LEU 279 HA 0.04 0.04 0.64 -0.75 4.35 4.31 2cmzB1 LEU 279 HB2 0.04 -0.01 0.08 -0.04 1.64 1.72 2cmzB1 LEU 279 HB3 0.08 0.07 0.17 -0.04 1.64 1.91 2cmzB1 LEU 279 HG 0.15 0.02 -0.25 -0.04 1.64 1.52 2cmzB1 LEU 279 HD13 0.01 -0.02 0.03 -0.04 0.93 0.90 2cmzB1 LEU 279 HD23 0.11 -0.01 -0.03 -0.04 0.89 0.92 2cmzB1 ASP 280 H 0.14 0.72 0.03 -0.55 8.40 8.74 2cmzB1 ASP 280 HA 0.12 0.01 0.47 -0.75 4.63 4.48 2cmzB1 ASP 280 HB2 0.19 0.11 0.22 -0.04 2.71 3.19 2cmzB1 ASP 280 HB3 0.17 -0.05 0.03 -0.04 2.70 2.81 2cmzB1 TYR 281 H 0.30 0.56 -0.14 -0.55 8.29 8.45 2cmzB1 TYR 281 HA 0.11 -0.02 0.40 -0.75 4.56 4.31 2cmzB1 TYR 281 HB2 0.47 0.06 0.13 -0.04 3.06 3.68 2cmzB1 TYR 281 HB3 0.26 0.03 0.15 -0.04 2.98 3.38 2cmzB1 TYR 281 HD2 0.09 -0.02 -0.06 -0.04 7.15 7.13 2cmzB1 TYR 281 HE2 -0.07 0.00 -0.05 -0.04 6.85 6.70 2cmzB1 SER 282 H 0.12 0.54 -0.14 -0.55 8.46 8.43 2cmzB1 SER 282 HA -0.13 -0.01 0.40 -0.75 4.49 4.00 2cmzB1 SER 282 HB2 -0.04 -0.08 0.09 -0.04 3.95 3.89 2cmzB1 SER 282 HB3 0.05 0.06 0.17 -0.04 3.93 4.17 2cmzB1 LEU 283 H -0.19 0.48 -0.26 -0.55 8.37 7.85 2cmzB1 LEU 283 HA -0.36 -0.02 0.46 -0.75 4.35 3.68 2cmzB1 LEU 283 HB2 -0.58 0.20 0.19 -0.04 1.64 1.41 2cmzB1 LEU 283 HB3 -1.64 -0.07 0.02 -0.04 1.64 -0.10 2cmzB1 LEU 283 HG -0.34 0.08 0.06 -0.04 1.64 1.40 2cmzB1 LEU 283 HD13 -0.71 -0.01 -0.05 -0.04 0.93 0.11 2cmzB1 LEU 283 HD23 -0.62 -0.03 -0.01 -0.04 0.89 0.18 2cmzB1 CYS 284 H -0.18 0.58 0.07 -0.55 8.50 8.42 2cmzB1 CYS 284 HA -0.18 0.02 0.49 -0.75 4.58 4.15 2cmzB1 CYS 284 HB2 -0.04 0.15 0.19 -0.04 2.97 3.23 2cmzB1 CYS 284 HB3 -0.10 0.06 0.19 -0.04 2.97 3.07 2cmzB1 GLN 285 H -0.27 0.54 -0.21 -0.55 8.47 7.98 2cmzB1 GLN 285 HA 0.03 0.02 0.39 -0.75 4.36 4.04 2cmzB1 GLN 285 HB2 -0.31 0.12 0.14 -0.04 2.15 2.06 2cmzB1 GLN 285 HB3 -0.16 -0.07 0.01 -0.04 2.02 1.76 2cmzB1 GLN 285 HG2 -1.05 0.15 0.03 -0.04 2.40 1.48 2cmzB1 GLN 285 HG3 -0.65 -0.05 -0.03 -0.04 2.39 1.62 2cmzB1 GLN 285 HE21 -0.04 0.04 -0.07 -0.04 6.97 6.86 2cmzB1 GLN 285 HE22 -0.24 -0.01 -0.07 -0.04 7.69 7.33 2cmzB1 GLU 286 H -0.16 0.46 -0.15 -0.55 8.60 8.21 2cmzB1 GLU 286 HA -0.07 0.01 0.52 -0.75 4.29 4.00 2cmzB1 GLU 286 HB2 -0.10 0.04 0.13 -0.04 2.09 2.12 2cmzB1 GLU 286 HB3 -0.13 0.11 0.21 -0.04 1.99 2.14 2cmzB1 GLU 286 HG2 -0.06 -0.03 -0.01 -0.04 2.34 2.20 2cmzB1 GLU 286 HG3 -0.05 -0.02 -0.17 -0.04 2.34 2.06 2cmzB1 THR 287 H -0.16 0.55 -0.08 -0.55 8.28 8.04 2cmzB1 THR 287 HA -0.16 0.02 0.66 -0.75 4.39 4.16 2cmzB1 THR 287 HB -0.22 -0.16 0.13 -0.04 4.32 4.04 2cmzB1 THR 287 HG23 -0.11 0.08 0.18 -0.04 1.22 1.34 2cmzB1 TRP 288 H -0.26 0.56 -0.09 -0.55 7.97 7.63 2cmzB1 TRP 288 HA -0.11 0.01 0.47 -0.75 4.62 4.24 2cmzB1 TRP 288 HB2 -0.21 0.08 0.10 -0.04 3.23 3.16 2cmzB1 TRP 288 HB3 -0.33 -0.04 0.02 -0.04 3.23 2.84 2cmzB1 TRP 288 HD1 -0.17 -0.03 -0.20 -0.04 7.22 6.78 2cmzB1 TRP 288 HE1 -0.11 0.37 -0.21 -0.04 10.20 10.21 2cmzB1 TRP 288 HE3 0.00 -0.07 0.05 -0.04 7.59 7.54 2cmzB1 TRP 288 HZ2 -0.16 0.03 -0.01 -0.04 7.44 7.27 2cmzB1 TRP 288 HZ3 0.06 -0.03 0.00 -0.04 7.13 7.11 2cmzB1 TRP 288 HH2 -0.03 -0.04 -0.01 -0.04 7.19 7.07 2cmzB1 SER 289 H 0.01 0.49 -0.33 -0.55 8.46 8.08 2cmzB1 SER 289 HA 0.01 0.00 0.45 -0.75 4.49 4.20 2cmzB1 SER 289 HB2 -0.02 -0.08 0.11 -0.04 3.95 3.92 2cmzB1 SER 289 HB3 -0.02 0.21 0.19 -0.04 3.93 4.27 2cmzB1 LYS 290 H -0.04 0.47 -0.19 -0.55 8.42 8.11 2cmzB1 LYS 290 HA -0.01 -0.02 0.43 -0.75 4.32 3.96 2cmzB1 LYS 290 HB2 -0.08 0.16 0.16 -0.04 1.87 2.08 2cmzB1 LYS 290 HB3 -0.04 0.08 -0.11 -0.04 1.79 1.68 2cmzB1 LYS 290 HG2 -0.03 -0.06 0.01 -0.04 1.46 1.34 2cmzB1 LYS 290 HG3 -0.04 0.06 0.05 -0.04 1.46 1.49 2cmzB1 LYS 290 HD2 -0.07 -0.03 -0.01 -0.04 1.69 1.53 2cmzB1 LYS 290 HD3 -0.06 0.10 0.02 -0.04 1.68 1.70 2cmzB1 LYS 290 HE2 -0.03 0.00 -0.02 -0.04 2.99 2.90 2cmzB1 LYS 290 HE3 -0.03 -0.01 -0.05 -0.04 2.99 2.86 2cmzB1 ILE 291 H 0.01 0.40 -0.16 -0.55 8.25 7.95 2cmzB1 ILE 291 HA 0.04 0.06 0.53 -0.75 4.18 4.06 2cmzB1 ILE 291 HB 0.25 0.12 0.19 -0.04 1.89 2.41 2cmzB1 ILE 291 HG12 0.02 -0.06 0.05 -0.04 1.49 1.46 2cmzB1 ILE 291 HG13 -0.06 0.01 0.02 -0.04 1.21 1.13 2cmzB1 ILE 291 HG23 0.24 -0.01 -0.05 -0.04 0.93 1.07 2cmzB1 ILE 291 HD13 -0.21 -0.01 -0.05 -0.04 0.88 0.57 2cmzB1 ARG 292 H 0.07 0.55 -0.10 -0.55 8.46 8.43 2cmzB1 ARG 292 HA 0.05 0.01 0.48 -0.75 4.34 4.12 2cmzB1 ARG 292 HB2 -0.00 0.06 0.15 -0.04 1.90 2.07 2cmzB1 ARG 292 HB3 0.00 0.12 0.15 -0.04 1.80 2.04 2cmzB1 ARG 292 HG2 0.01 -0.02 0.00 -0.04 1.67 1.62 2cmzB1 ARG 292 HG3 -0.01 -0.03 0.05 -0.04 1.67 1.64 2cmzB1 ARG 292 HD2 -0.04 -0.00 0.00 -0.04 3.22 3.14 2cmzB1 ARG 292 HD3 -0.01 0.01 -0.02 -0.04 3.22 3.17 2cmzB1 ALA 293 H 0.01 0.44 -0.18 -0.55 8.40 8.13 2cmzB1 ALA 293 HA 0.01 0.04 0.45 -0.75 4.34 4.09 2cmzB1 ALA 293 HB3 -0.00 -0.03 0.10 -0.04 1.41 1.44 2cmzB1 GLY 294 H 0.02 0.32 -0.59 -0.55 8.43 7.64 2cmzB1 GLY 294 HA2 0.02 0.03 0.30 -0.51 4.01 3.86 2cmzB1 GLY 294 HA3 0.02 -0.03 0.53 -0.51 4.01 4.02 2cmzB1 LEU 295 H 0.00 0.47 -0.04 -0.55 8.37 8.26 2cmzB1 LEU 295 HA -0.00 0.11 0.67 -0.75 4.35 4.37 2cmzB1 LEU 295 HB2 -0.01 -0.06 0.08 -0.04 1.64 1.60 2cmzB1 LEU 295 HB3 -0.01 0.02 0.05 -0.04 1.64 1.66 2cmzB1 LEU 295 HG -0.00 0.03 -0.11 -0.04 1.64 1.52 2cmzB1 LEU 295 HD13 -0.01 -0.03 -0.01 -0.04 0.93 0.84 2cmzB1 LEU 295 HD23 -0.01 -0.00 -0.01 -0.04 0.89 0.83 2cmzB1 PRO 296 HA -0.00 0.07 0.49 -0.51 4.44 4.49 2cmzB1 PRO 296 HB2 -0.01 -0.04 -0.03 -0.04 2.28 2.16 2cmzB1 PRO 296 HB3 -0.00 0.01 0.11 -0.04 2.02 2.10 2cmzB1 PRO 296 HG2 -0.01 -0.02 0.08 -0.04 2.03 2.04 2cmzB1 PRO 296 HG3 -0.01 0.04 0.10 -0.04 2.03 2.12 2cmzB1 PRO 296 HD2 -0.01 0.04 0.20 -0.04 3.68 3.86 2cmzB1 PRO 296 HD3 -0.01 0.19 0.22 -0.04 3.65 4.01 2cmzB1 ILE 297 H -0.01 0.17 0.20 -0.55 8.25 8.06 2cmzB1 ILE 297 HA -0.07 0.14 0.74 -0.75 4.18 4.25 2cmzB1 ILE 297 HB -0.14 -0.10 0.06 -0.04 1.89 1.68 2cmzB1 ILE 297 HG12 -0.03 0.10 0.06 -0.04 1.49 1.58 2cmzB1 ILE 297 HG13 -0.03 -0.07 -0.20 -0.04 1.21 0.87 2cmzB1 ILE 297 HG23 -0.11 0.05 -0.07 -0.04 0.93 0.76 2cmzB1 ILE 297 HD13 -0.08 -0.00 -0.11 -0.04 0.88 0.65 2cmzB1 SER 298 H -0.11 0.11 0.16 -0.55 8.46 8.08 2cmzB1 SER 298 HA 0.04 0.25 0.75 -0.75 4.49 4.78 2cmzB1 SER 298 HB2 -0.01 0.07 0.10 -0.04 3.95 4.06 2cmzB1 SER 298 HB3 -0.01 0.13 -0.17 -0.04 3.93 3.84 2cmzB1 PRO 299 HA -0.23 0.06 0.45 -0.51 4.44 4.21 2cmzB1 PRO 299 HB2 -0.12 -0.03 0.07 -0.04 2.28 2.16 2cmzB1 PRO 299 HB3 -0.16 0.40 0.20 -0.04 2.02 2.42 2cmzB1 PRO 299 HG2 -0.13 0.07 0.06 -0.04 2.03 1.99 2cmzB1 PRO 299 HG3 -0.46 0.07 0.05 -0.04 2.03 1.65 2cmzB1 PRO 299 HD2 -0.03 0.09 0.19 -0.04 3.68 3.88 2cmzB1 PRO 299 HD3 -0.24 0.17 0.15 -0.04 3.65 3.69 2cmzB1 VAL 300 H -0.15 0.10 -0.28 -0.55 8.24 7.36 2cmzB1 VAL 300 HA -0.27 0.05 0.41 -0.75 4.13 3.57 2cmzB1 VAL 300 HB -0.16 -0.00 0.04 -0.04 2.12 1.95 2cmzB1 VAL 300 HG13 -0.21 0.01 -0.08 -0.04 0.97 0.66 2cmzB1 VAL 300 HG23 -0.06 0.00 0.02 -0.04 0.95 0.87 2cmzB1 ASP 301 H -0.28 0.09 -0.15 -0.55 8.40 7.52 2cmzB1 ASP 301 HA -0.52 0.10 0.41 -0.75 4.63 3.87 2cmzB1 ASP 301 HB2 -0.24 0.02 0.12 -0.04 2.71 2.58 2cmzB1 ASP 301 HB3 -0.25 0.08 0.08 -0.04 2.70 2.56 2cmzB1 LEU 302 H -0.29 0.31 -0.24 -0.55 8.37 7.62 2cmzB1 LEU 302 HA -0.31 0.05 0.43 -0.75 4.35 3.77 2cmzB1 LEU 302 HB2 -0.20 0.09 -0.00 -0.04 1.64 1.49 2cmzB1 LEU 302 HB3 -0.12 -0.04 -0.41 -0.04 1.64 1.03 2cmzB1 LEU 302 HG -0.07 -0.02 -0.21 -0.04 1.64 1.30 2cmzB1 LEU 302 HD13 -0.20 0.04 -0.22 -0.04 0.93 0.52 2cmzB1 LEU 302 HD23 -0.18 -0.07 -0.18 -0.04 0.89 0.42 2cmzB1 SER 303 H -0.29 0.35 -0.20 -0.55 8.46 7.78 2cmzB1 SER 303 HA -0.03 0.12 0.52 -0.75 4.49 4.35 2cmzB1 SER 303 HB2 0.07 -0.11 0.11 -0.04 3.95 3.97 2cmzB1 SER 303 HB3 -0.07 0.08 0.20 -0.04 3.93 4.09 2cmzB1 TYR 304 H -0.50 0.29 -0.44 -0.55 8.29 7.08 2cmzB1 TYR 304 HA -0.21 0.07 0.59 -0.75 4.56 4.26 2cmzB1 TYR 304 HB2 -0.31 0.14 0.00 -0.04 3.06 2.86 2cmzB1 TYR 304 HB3 -0.27 -0.09 -0.14 -0.04 2.98 2.44 2cmzB1 TYR 304 HD2 -0.54 0.05 -0.08 -0.04 7.15 6.54 2cmzB1 TYR 304 HE2 -0.43 -0.08 -0.06 -0.04 6.85 6.23 2cmzB1 LEU 305 H -0.19 0.37 -0.21 -0.55 8.37 7.78 2cmzB1 LEU 305 HA -0.08 0.09 0.59 -0.75 4.35 4.19 2cmzB1 LEU 305 HB2 -0.73 0.03 0.02 -0.04 1.64 0.93 2cmzB1 LEU 305 HB3 -0.75 -0.02 0.03 -0.04 1.64 0.85 2cmzB1 LEU 305 HG -0.60 0.15 0.05 -0.04 1.64 1.20 2cmzB1 LEU 305 HD13 -1.22 -0.04 -0.06 -0.04 0.93 -0.43 2cmzB1 LEU 305 HD23 -0.91 -0.01 -0.03 -0.04 0.89 -0.09 2cmzB1 ALA 306 H 0.03 0.15 -0.19 -0.55 8.40 7.85 2cmzB1 ALA 306 HA 0.26 0.07 0.40 -0.75 4.34 4.31 2cmzB1 ALA 306 HB3 0.09 0.00 0.08 -0.04 1.41 1.54 2cmzB1 PRO 307 HA 0.03 -0.07 0.51 -0.51 4.44 4.41 2cmzB1 PRO 307 HB2 -1.05 0.02 -0.11 -0.04 2.28 1.10 2cmzB1 PRO 307 HB3 -0.21 0.04 0.04 -0.04 2.02 1.85 2cmzB1 PRO 307 HG2 -0.59 0.01 -0.05 -0.04 2.03 1.36 2cmzB1 PRO 307 HG3 -0.09 -0.02 0.10 -0.04 2.03 1.97 2cmzB1 PRO 307 HD2 -0.14 0.06 0.22 -0.04 3.68 3.78 2cmzB1 PRO 307 HD3 0.15 0.20 0.22 -0.04 3.65 4.17 2cmzB1 LYS 308 H -0.03 0.03 0.17 -0.55 8.42 8.04 2cmzB1 LYS 308 HA -0.04 0.19 0.75 -0.75 4.32 4.47 2cmzB1 LYS 308 HB2 0.00 -0.06 0.04 -0.04 1.87 1.82 2cmzB1 LYS 308 HB3 -0.01 -0.02 0.08 -0.04 1.79 1.80 2cmzB1 LYS 308 HG2 -0.11 0.12 -0.09 -0.04 1.46 1.33 2cmzB1 LYS 308 HG3 -0.62 -0.08 -0.02 -0.04 1.46 0.71 2cmzB1 LYS 308 HD2 -0.27 -0.10 0.00 -0.04 1.69 1.28 2cmzB1 LYS 308 HD3 -0.06 0.13 -0.14 -0.04 1.68 1.56 2cmzB1 LYS 308 HE2 -0.08 -0.14 -0.04 -0.04 2.99 2.69 2cmzB1 LYS 308 HE3 0.10 -0.08 -0.03 -0.04 2.99 2.94 2cmzB1 ASN 309 H -0.03 0.01 0.02 -0.55 8.53 7.97 2cmzB1 ASN 309 HA 0.04 0.20 0.82 -0.75 4.76 5.06 2cmzB1 ASN 309 HB2 0.04 -0.02 0.02 -0.04 2.88 2.87 2cmzB1 ASN 309 HB3 0.04 0.10 0.02 -0.04 2.79 2.92 2cmzB1 ASN 309 HD21 0.06 -0.02 -0.08 -0.04 7.03 6.95 2cmzB1 ASN 309 HD22 0.06 0.02 -0.05 -0.04 7.74 7.72 2cmzB1 PRO 310 HA 0.12 0.06 0.19 -0.51 4.44 4.30 2cmzB1 PRO 310 HB2 0.05 0.02 -0.04 -0.04 2.28 2.27 2cmzB1 PRO 310 HB3 0.07 -0.05 0.07 -0.04 2.02 2.07 2cmzB1 PRO 310 HG2 0.04 0.03 0.05 -0.04 2.03 2.11 2cmzB1 PRO 310 HG3 0.05 -0.00 0.03 -0.04 2.03 2.07 2cmzB1 PRO 310 HD2 0.04 0.08 0.15 -0.04 3.68 3.91 2cmzB1 PRO 310 HD3 0.05 0.17 0.14 -0.04 3.65 3.96 2cmzB1 GLY 311 H 0.09 0.57 0.28 -0.55 8.43 8.82 2cmzB1 GLY 311 HA2 0.03 -0.04 0.37 -0.51 4.01 3.87 2cmzB1 GLY 311 HA3 0.05 0.24 0.92 -0.51 4.01 4.71 2cmzB1 THR 312 H 0.03 0.09 0.19 -0.55 8.28 8.04 2cmzB1 THR 312 HA -0.02 0.16 0.71 -0.75 4.39 4.49 2cmzB1 THR 312 HB 0.02 -0.03 0.21 -0.04 4.32 4.49 2cmzB1 THR 312 HG23 0.01 0.00 -0.11 -0.04 1.22 1.08 2cmzB1 GLY 313 H -0.01 0.59 0.37 -0.55 8.43 8.84 2cmzB1 GLY 313 HA2 -0.06 0.01 0.34 -0.51 4.01 3.79 2cmzB1 GLY 313 HA3 -0.01 0.14 0.45 -0.51 4.01 4.08 2cmzB1 PRO 314 HA -0.27 0.12 0.79 -0.51 4.44 4.57 2cmzB1 PRO 314 HB2 -0.73 0.09 -0.03 -0.04 2.28 1.57 2cmzB1 PRO 314 HB3 0.01 -0.04 0.05 -0.04 2.02 2.00 2cmzB1 PRO 314 HG2 -0.42 0.13 -0.01 -0.04 2.03 1.69 2cmzB1 PRO 314 HG3 -0.59 -0.02 0.02 -0.04 2.03 1.40 2cmzB1 PRO 314 HD2 -0.79 0.15 0.20 -0.04 3.68 3.20 2cmzB1 PRO 314 HD3 -0.57 0.08 0.17 -0.04 3.65 3.28 2cmzB1 ALA 315 H -0.58 0.50 0.43 -0.55 8.40 8.20 2cmzB1 ALA 315 HA -0.04 0.22 0.80 -0.75 4.34 4.55 2cmzB1 ALA 315 HB3 -0.50 -0.02 0.02 -0.04 1.41 0.87 2cmzB1 PHE 316 H 0.23 0.11 0.24 -0.55 8.34 8.37 2cmzB1 PHE 316 HA 0.38 0.39 1.20 -0.75 4.62 5.84 2cmzB1 PHE 316 HB2 0.00 -0.07 0.06 -0.04 3.15 3.10 2cmzB1 PHE 316 HB3 -0.00 0.05 0.05 -0.04 3.06 3.12 2cmzB1 PHE 316 HD2 0.11 0.03 -0.13 -0.04 7.28 7.25 2cmzB1 PHE 316 HE2 0.14 0.10 -0.16 -0.04 7.38 7.41 2cmzB1 PHE 316 HZ 0.12 -0.05 -0.09 -0.04 7.32 7.27 2cmzB1 THR 317 H -0.02 0.61 0.31 -0.55 8.28 8.64 2cmzB1 THR 317 HA -0.24 0.10 0.55 -0.75 4.39 4.05 2cmzB1 THR 317 HB -1.15 -0.04 -0.38 -0.04 4.32 2.72 2cmzB1 THR 317 HG23 -1.61 -0.01 -0.33 -0.04 1.22 -0.78 2cmzB1 ILE 318 H -0.25 0.23 0.05 -0.55 8.25 7.73 2cmzB1 ILE 318 HA -0.08 0.35 0.67 -0.75 4.18 4.37 2cmzB1 ILE 318 HB -0.09 -0.03 -0.01 -0.04 1.89 1.72 2cmzB1 ILE 318 HG12 -0.05 0.09 -0.28 -0.04 1.49 1.20 2cmzB1 ILE 318 HG13 -0.14 -0.10 -0.52 -0.04 1.21 0.41 2cmzB1 ILE 318 HG23 0.09 -0.01 -0.38 -0.04 0.93 0.59 2cmzB1 ILE 318 HD13 -0.12 0.01 -0.35 -0.04 0.88 0.38 2cmzB1 ILE 319 H -0.06 0.77 0.06 -0.55 8.25 8.47 2cmzB1 ILE 319 HA -0.02 0.15 0.67 -0.75 4.18 4.23 2cmzB1 ILE 319 HB -0.06 0.04 -0.02 -0.04 1.89 1.81 2cmzB1 ILE 319 HG12 -0.12 0.04 0.03 -0.04 1.49 1.40 2cmzB1 ILE 319 HG13 -0.30 -0.05 -0.67 -0.04 1.21 0.16 2cmzB1 ILE 319 HG23 0.00 0.00 -0.08 -0.04 0.93 0.82 2cmzB1 ILE 319 HD13 -0.32 -0.00 -0.14 -0.04 0.88 0.38 2cmzB1 ASN 320 H 0.02 0.22 0.08 -0.55 8.53 8.30 2cmzB1 ASN 320 HA 0.01 0.03 0.32 -0.75 4.76 4.37 2cmzB1 ASN 320 HB2 0.02 0.03 -0.05 -0.04 2.88 2.83 2cmzB1 ASN 320 HB3 0.01 0.04 0.23 -0.04 2.79 3.03 2cmzB1 ASN 320 HD21 0.01 0.00 0.03 -0.04 7.03 7.03 2cmzB1 ASN 320 HD22 0.01 0.01 0.04 -0.04 7.74 7.76 2cmzB1 GLY 321 H 0.04 0.06 -0.34 -0.55 8.43 7.65 2cmzB1 GLY 321 HA2 0.04 -0.03 0.26 -0.51 4.01 3.76 2cmzB1 GLY 321 HA3 0.02 0.13 0.38 -0.51 4.01 4.03 2cmzB1 THR 322 H 0.03 0.59 -0.56 -0.55 8.28 7.79 2cmzB1 THR 322 HA 0.04 0.20 1.06 -0.75 4.39 4.94 2cmzB1 THR 322 HB 0.05 -0.00 0.06 -0.04 4.32 4.39 2cmzB1 THR 322 HG23 0.04 0.04 -0.00 -0.04 1.22 1.25 2cmzB1 LEU 323 H 0.06 0.14 0.20 -0.55 8.37 8.23 2cmzB1 LEU 323 HA 0.04 0.17 0.61 -0.75 4.35 4.41 2cmzB1 LEU 323 HB2 0.09 -0.00 0.21 -0.04 1.64 1.90 2cmzB1 LEU 323 HB3 0.20 -0.05 0.06 -0.04 1.64 1.81 2cmzB1 LEU 323 HG -0.07 -0.03 0.03 -0.04 1.64 1.53 2cmzB1 LEU 323 HD13 0.17 0.00 -0.03 -0.04 0.93 1.02 2cmzB1 LEU 323 HD23 0.10 0.04 0.08 -0.04 0.89 1.07 2cmzB1 LYS 324 H 0.08 0.57 0.41 -0.55 8.42 8.93 2cmzB1 LYS 324 HA 0.32 0.27 0.66 -0.75 4.32 4.81 2cmzB1 LYS 324 HB2 -0.15 -0.13 -0.12 -0.04 1.87 1.43 2cmzB1 LYS 324 HB3 0.35 -0.04 -0.01 -0.04 1.79 2.04 2cmzB1 LYS 324 HG2 -0.00 0.09 -0.49 -0.04 1.46 1.02 2cmzB1 LYS 324 HG3 -0.08 -0.07 -0.21 -0.04 1.46 1.05 2cmzB1 LYS 324 HD2 0.16 -0.08 -0.33 -0.04 1.69 1.40 2cmzB1 LYS 324 HD3 0.16 0.17 -0.16 -0.04 1.68 1.81 2cmzB1 LYS 324 HE2 0.06 0.09 -0.19 -0.04 2.99 2.92 2cmzB1 LYS 324 HE3 0.04 -0.08 -0.14 -0.04 2.99 2.77 2cmzB1 TYR 325 H 0.55 0.65 0.36 -0.55 8.29 9.30 2cmzB1 TYR 325 HA 0.41 0.26 0.83 -0.75 4.56 5.30 2cmzB1 TYR 325 HB2 -0.43 0.14 0.20 -0.04 3.06 2.92 2cmzB1 TYR 325 HB3 0.23 -0.05 -0.23 -0.04 2.98 2.90 2cmzB1 TYR 325 HD2 0.09 0.06 -0.19 -0.04 7.15 7.07 2cmzB1 TYR 325 HE2 0.08 0.06 -0.11 -0.04 6.85 6.84 2cmzB1 PHE 326 H -0.19 0.42 0.32 -0.55 8.34 8.33 2cmzB1 PHE 326 HA -0.75 0.14 0.24 -0.75 4.62 3.50 2cmzB1 PHE 326 HB2 -0.41 0.05 0.16 -0.04 3.15 2.91 2cmzB1 PHE 326 HB3 -0.54 0.10 -0.18 -0.04 3.06 2.40 2cmzB1 PHE 326 HD2 -0.91 0.08 -0.20 -0.04 7.28 6.21 2cmzB1 PHE 326 HE2 -0.45 0.03 -0.13 -0.04 7.38 6.79 2cmzB1 PHE 326 HZ -0.05 0.07 -0.17 -0.04 7.32 7.13 2cmzB1 GLU 327 H -0.15 0.20 0.15 -0.55 8.60 8.25 2cmzB1 GLU 327 HA -0.26 0.13 0.75 -0.75 4.29 4.15 2cmzB1 GLU 327 HB2 -0.07 -0.03 0.06 -0.04 2.09 2.01 2cmzB1 GLU 327 HB3 -0.08 -0.01 0.12 -0.04 1.99 1.99 2cmzB1 GLU 327 HG2 -0.04 -0.02 -0.03 -0.04 2.34 2.21 2cmzB1 GLU 327 HG3 -0.08 0.11 -0.05 -0.04 2.34 2.28 2cmzB1 THR 328 H -0.36 0.64 0.34 -0.55 8.28 8.34 2cmzB1 THR 328 HA -0.14 0.16 0.80 -0.75 4.39 4.45 2cmzB1 THR 328 HB -0.76 -0.01 -0.18 -0.04 4.32 3.32 2cmzB1 THR 328 HG23 -0.74 0.02 -0.17 -0.04 1.22 0.29 2cmzB1 ARG 329 H -0.44 0.17 0.18 -0.55 8.46 7.82 2cmzB1 ARG 329 HA -0.16 0.19 0.74 -0.75 4.34 4.36 2cmzB1 ARG 329 HB2 -0.33 0.02 -0.11 -0.04 1.90 1.44 2cmzB1 ARG 329 HB3 -1.44 -0.06 0.09 -0.04 1.80 0.35 2cmzB1 ARG 329 HG2 -0.26 0.08 -0.34 -0.04 1.67 1.12 2cmzB1 ARG 329 HG3 -0.13 -0.06 -0.16 -0.04 1.67 1.28 2cmzB1 ARG 329 HD2 -0.11 -0.02 -0.05 -0.04 3.22 3.01 2cmzB1 ARG 329 HD3 -0.08 0.00 -0.06 -0.04 3.22 3.03 2cmzB1 TYR 330 H 0.13 0.97 0.20 -0.55 8.29 9.04 2cmzB1 TYR 330 HA -0.04 0.14 0.57 -0.75 4.56 4.47 2cmzB1 TYR 330 HB2 -0.02 0.17 0.03 -0.04 3.06 3.20 2cmzB1 TYR 330 HB3 0.01 -0.03 -0.29 -0.04 2.98 2.64 2cmzB1 TYR 330 HD2 -0.06 0.04 -0.36 -0.04 7.15 6.74 2cmzB1 TYR 330 HE2 -0.16 0.02 -0.35 -0.04 6.85 6.33 2cmzB1 ILE 331 H 0.15 0.71 0.29 -0.55 8.25 8.85 2cmzB1 ILE 331 HA 0.10 0.06 0.88 -0.75 4.18 4.46 2cmzB1 ILE 331 HB 0.10 0.04 0.06 -0.04 1.89 2.06 2cmzB1 ILE 331 HG12 0.16 0.10 -0.06 -0.04 1.49 1.65 2cmzB1 ILE 331 HG13 0.18 -0.02 -0.13 -0.04 1.21 1.19 2cmzB1 ILE 331 HG23 0.09 -0.01 -0.17 -0.04 0.93 0.80 2cmzB1 ILE 331 HD13 0.15 0.00 -0.09 -0.04 0.88 0.91 2cmzB1 ARG 332 H 0.08 0.09 0.17 -0.55 8.46 8.24 2cmzB1 ARG 332 HA 0.10 0.27 0.83 -0.75 4.34 4.79 2cmzB1 ARG 332 HB2 0.04 -0.05 0.15 -0.04 1.90 2.01 2cmzB1 ARG 332 HB3 0.04 0.00 -0.03 -0.04 1.80 1.77 2cmzB1 ARG 332 HG2 0.06 0.05 -0.02 -0.04 1.67 1.72 2cmzB1 ARG 332 HG3 0.04 -0.04 0.05 -0.04 1.67 1.69 2cmzB1 ARG 332 HD2 -0.02 -0.02 -0.02 -0.04 3.22 3.12 2cmzB1 ARG 332 HD3 0.00 0.02 -0.05 -0.04 3.22 3.15 2cmzB1 VAL 333 H 0.09 0.78 0.41 -0.55 8.24 8.96 2cmzB1 VAL 333 HA 0.05 0.18 0.95 -0.75 4.13 4.55 2cmzB1 VAL 333 HB 0.11 0.01 -0.14 -0.04 2.12 2.06 2cmzB1 VAL 333 HG13 0.00 -0.01 -0.31 -0.04 0.97 0.61 2cmzB1 VAL 333 HG23 0.13 0.00 -0.44 -0.04 0.95 0.60 2cmzB1 ASP 334 H 0.02 0.70 0.28 -0.55 8.40 8.85 2cmzB1 ASP 334 HA 0.02 0.28 0.99 -0.75 4.63 5.16 2cmzB1 ASP 334 HB2 0.00 -0.07 0.10 -0.04 2.71 2.70 2cmzB1 ASP 334 HB3 -0.00 0.20 -0.03 -0.04 2.70 2.82 2cmzB1 ILE 335 H -0.00 0.74 0.31 -0.55 8.25 8.75 2cmzB1 ILE 335 HA -0.05 0.14 1.02 -0.75 4.18 4.54 2cmzB1 ILE 335 HB -0.24 -0.07 0.14 -0.04 1.89 1.68 2cmzB1 ILE 335 HG12 -0.19 0.13 -0.01 -0.04 1.49 1.38 2cmzB1 ILE 335 HG13 -0.07 -0.09 -0.22 -0.04 1.21 0.78 2cmzB1 ILE 335 HG23 -0.31 0.03 -0.12 -0.04 0.93 0.48 2cmzB1 ILE 335 HD13 -0.90 0.04 -0.10 -0.04 0.88 -0.12 2cmzB1 ALA 336 H -0.01 0.15 0.19 -0.55 8.40 8.18 2cmzB1 ALA 336 HA 0.05 0.18 0.19 -0.75 4.34 4.01 2cmzB1 ALA 336 HB3 0.03 -0.01 0.09 -0.04 1.41 1.48 2cmzB1 ALA 337 H 0.02 0.21 -0.02 -0.55 8.40 8.07 2cmzB1 ALA 337 HA 0.28 0.15 0.54 -0.75 4.34 4.56 2cmzB1 ALA 337 HB3 0.08 0.06 -0.03 -0.04 1.41 1.47 2cmzB1 PRO 338 HA -0.23 0.10 0.48 -0.51 4.44 4.28 2cmzB1 PRO 338 HB2 -0.08 0.02 0.00 -0.04 2.28 2.18 2cmzB1 PRO 338 HB3 -0.18 0.03 0.11 -0.04 2.02 1.95 2cmzB1 PRO 338 HG2 -0.21 0.03 0.07 -0.04 2.03 1.87 2cmzB1 PRO 338 HG3 -0.86 0.05 0.04 -0.04 2.03 1.22 2cmzB1 PRO 338 HD2 -0.06 0.10 0.19 -0.04 3.68 3.86 2cmzB1 PRO 338 HD3 -0.15 0.16 0.21 -0.04 3.65 3.83 2cmzB1 ILE 339 H 0.02 0.12 -0.29 -0.55 8.25 7.54 2cmzB1 ILE 339 HA 0.18 0.41 0.93 -0.75 4.18 4.94 2cmzB1 ILE 339 HB 0.04 -0.06 0.03 -0.04 1.89 1.85 2cmzB1 ILE 339 HG12 0.05 0.01 -0.14 -0.04 1.49 1.38 2cmzB1 ILE 339 HG13 0.04 -0.10 -0.44 -0.04 1.21 0.67 2cmzB1 ILE 339 HG23 0.05 -0.01 -0.29 -0.04 0.93 0.64 2cmzB1 ILE 339 HD13 0.01 -0.01 -0.10 -0.04 0.88 0.74 2cmzB1 LEU 340 H 0.26 0.64 0.27 -0.55 8.37 8.99 2cmzB1 LEU 340 HA 0.11 0.15 0.93 -0.75 4.35 4.79 2cmzB1 LEU 340 HB2 0.25 -0.03 0.01 -0.04 1.64 1.83 2cmzB1 LEU 340 HB3 0.11 -0.06 0.23 -0.04 1.64 1.89 2cmzB1 LEU 340 HG 0.25 0.06 -0.10 -0.04 1.64 1.81 2cmzB1 LEU 340 HD13 0.08 0.00 0.15 -0.04 0.93 1.12 2cmzB1 LEU 340 HD23 0.02 -0.02 -0.06 -0.04 0.89 0.79 2cmzB1 SER 341 H 0.10 0.14 0.21 -0.55 8.46 8.36 2cmzB1 SER 341 HA 0.13 0.18 0.85 -0.75 4.49 4.89 2cmzB1 SER 341 HB2 0.07 0.01 0.07 -0.04 3.95 4.06 2cmzB1 SER 341 HB3 0.06 0.05 0.10 -0.04 3.93 4.10 2cmzB1 ARG 342 H 0.09 0.13 0.11 -0.55 8.46 8.24 2cmzB1 ARG 342 HA 0.05 0.22 0.82 -0.75 4.34 4.67 2cmzB1 ARG 342 HB2 0.02 -0.02 0.02 -0.04 1.90 1.88 2cmzB1 ARG 342 HB3 -0.00 0.02 -0.04 -0.04 1.80 1.73 2cmzB1 ARG 342 HG2 0.07 0.07 -0.04 -0.04 1.67 1.73 2cmzB1 ARG 342 HG3 0.07 -0.06 -0.46 -0.04 1.67 1.18 2cmzB1 ARG 342 HD2 0.03 0.01 -0.05 -0.04 3.22 3.17 2cmzB1 ARG 342 HD3 0.04 0.01 -0.07 -0.04 3.22 3.17 2cmzB1 MET 343 H -0.46 0.19 0.06 -0.55 8.47 7.72 2cmzB1 MET 343 HA -0.20 0.12 0.45 -0.75 4.52 4.13 2cmzB1 MET 343 HB2 -1.28 0.00 0.04 -0.04 2.15 0.87 2cmzB1 MET 343 HB3 -0.15 0.05 0.23 -0.04 2.03 2.11 2cmzB1 MET 343 HG2 0.58 0.04 -0.03 -0.04 2.63 3.18 2cmzB1 MET 343 HG3 0.14 -0.15 0.07 -0.04 2.56 2.57 2cmzB1 MET 343 HE3 0.05 -0.00 -0.17 -0.04 2.10 1.94 2cmzB1 VAL 344 H -0.00 0.52 0.36 -0.55 8.24 8.57 2cmzB1 VAL 344 HA -0.00 0.32 0.97 -0.75 4.13 4.66 2cmzB1 VAL 344 HB -0.01 -0.16 -0.38 -0.04 2.12 1.53 2cmzB1 VAL 344 HG13 0.01 0.00 -0.15 -0.04 0.97 0.79 2cmzB1 VAL 344 HG23 0.01 -0.01 -0.20 -0.04 0.95 0.71 2cmzB1 GLY 345 H -0.00 0.59 0.37 -0.55 8.43 8.84 2cmzB1 GLY 345 HA2 -0.02 0.10 0.63 -0.51 4.01 4.21 2cmzB1 GLY 345 HA3 -0.03 0.04 0.29 -0.51 4.01 3.80 2cmzB1 MET 346 H -0.00 0.86 0.34 -0.55 8.47 9.12 2cmzB1 MET 346 HA 0.02 0.30 1.05 -0.75 4.52 5.13 2cmzB1 MET 346 HB2 0.01 0.00 0.07 -0.04 2.15 2.19 2cmzB1 MET 346 HB3 0.01 0.19 -0.10 -0.04 2.03 2.09 2cmzB1 MET 346 HG2 0.01 -0.04 -0.66 -0.04 2.63 1.90 2cmzB1 MET 346 HG3 0.01 -0.10 -0.35 -0.04 2.56 2.07 2cmzB1 MET 346 HE3 0.00 0.02 -0.06 -0.04 2.10 2.02 2cmzB1 ILE 347 H 0.02 0.52 0.19 -0.55 8.25 8.44 2cmzB1 ILE 347 HA 0.05 0.13 0.60 -0.75 4.18 4.21 2cmzB1 ILE 347 HB 0.03 -0.09 0.14 -0.04 1.89 1.92 2cmzB1 ILE 347 HG12 0.06 0.05 -0.00 -0.04 1.49 1.55 2cmzB1 ILE 347 HG13 0.04 0.05 -0.01 -0.04 1.21 1.25 2cmzB1 ILE 347 HG23 0.04 0.02 -0.10 -0.04 0.93 0.85 2cmzB1 ILE 347 HD13 0.04 -0.02 -0.03 -0.04 0.88 0.83 2cmzB1 SER 348 H 0.04 0.46 0.20 -0.55 8.46 8.62 2cmzB1 SER 348 HA 0.02 -0.04 0.08 -0.75 4.49 3.79 2cmzB1 SER 348 HB2 0.04 0.06 -0.35 -0.04 3.95 3.65 2cmzB1 SER 348 HB3 0.02 -0.01 0.00 -0.04 3.93 3.90 2cmzB1 GLY 349 H 0.01 0.11 0.09 -0.55 8.43 8.10 2cmzB1 GLY 349 HA2 0.01 -0.02 0.31 -0.51 4.01 3.80 2cmzB1 GLY 349 HA3 0.01 0.08 0.42 -0.51 4.01 4.01 2cmzB1 THR 350 H 0.01 0.50 -0.09 -0.55 8.28 8.15 2cmzB1 THR 350 HA 0.01 0.17 0.83 -0.75 4.39 4.64 2cmzB1 THR 350 HB 0.01 -0.12 0.15 -0.04 4.32 4.32 2cmzB1 THR 350 HG23 0.02 0.06 -0.20 -0.04 1.22 1.06 2cmzB1 THR 351 H 0.01 0.16 0.09 -0.55 8.28 7.99 2cmzB1 THR 351 HA 0.01 0.25 0.84 -0.75 4.39 4.73 2cmzB1 THR 351 HB 0.01 0.01 0.16 -0.04 4.32 4.45 2cmzB1 THR 351 HG23 0.01 0.01 -0.08 -0.04 1.22 1.12 2cmzB1 THR 352 H 0.01 0.09 -0.33 -0.55 8.28 7.50 2cmzB1 THR 352 HA 0.01 0.08 0.65 -0.75 4.39 4.38 2cmzB1 THR 352 HB 0.02 -0.02 0.14 -0.04 4.32 4.41 2cmzB1 THR 352 HG23 0.02 0.02 -0.13 -0.04 1.22 1.08 2cmzB1 GLU 353 H 0.01 0.15 0.20 -0.55 8.60 8.41 2cmzB1 GLU 353 HA 0.01 0.25 0.64 -0.75 4.29 4.45 2cmzB1 GLU 353 HB2 0.01 0.03 0.07 -0.04 2.09 2.16 2cmzB1 GLU 353 HB3 0.01 -0.05 0.03 -0.04 1.99 1.94 2cmzB1 GLU 353 HG2 0.01 -0.01 -0.14 -0.04 2.34 2.16 2cmzB1 GLU 353 HG3 0.01 0.05 -0.13 -0.04 2.34 2.23 2cmzB1 ARG 354 H 0.02 0.82 0.39 -0.55 8.46 9.14 2cmzB1 ARG 354 HA 0.02 0.09 0.80 -0.75 4.34 4.49 2cmzB1 ARG 354 HB2 0.03 0.01 -0.03 -0.04 1.90 1.88 2cmzB1 ARG 354 HB3 0.04 0.01 -0.05 -0.04 1.80 1.76 2cmzB1 ARG 354 HG2 0.06 -0.08 -0.33 -0.04 1.67 1.28 2cmzB1 ARG 354 HG3 0.05 0.14 -0.69 -0.04 1.67 1.13 2cmzB1 ARG 354 HD2 0.09 -0.06 -0.13 -0.04 3.22 3.08 2cmzB1 ARG 354 HD3 0.14 0.09 -0.19 -0.04 3.22 3.22 2cmzB1 GLU 355 H 0.02 0.14 0.06 -0.55 8.60 8.27 2cmzB1 GLU 355 HA 0.02 0.15 0.78 -0.75 4.29 4.48 2cmzB1 GLU 355 HB2 0.01 -0.03 0.09 -0.04 2.09 2.12 2cmzB1 GLU 355 HB3 0.01 -0.00 0.10 -0.04 1.99 2.06 2cmzB1 GLU 355 HG2 0.04 0.06 -0.03 -0.04 2.34 2.37 2cmzB1 GLU 355 HG3 0.02 -0.05 0.01 -0.04 2.34 2.28 2cmzB1 LEU 356 H 0.03 0.71 0.33 -0.55 8.37 8.90 2cmzB1 LEU 356 HA 0.13 0.09 0.05 -0.75 4.35 3.86 2cmzB1 LEU 356 HB2 -0.07 -0.03 -0.09 -0.04 1.64 1.40 2cmzB1 LEU 356 HB3 -0.53 0.01 -0.13 -0.04 1.64 0.95 2cmzB1 LEU 356 HG -0.05 0.01 -0.14 -0.04 1.64 1.42 2cmzB1 LEU 356 HD13 -0.26 -0.01 -0.28 -0.04 0.93 0.33 2cmzB1 LEU 356 HD23 -0.02 -0.01 -0.22 -0.04 0.89 0.61 2cmzB1 TRP 357 H 0.19 0.19 -0.05 -0.55 7.97 7.75 2cmzB1 TRP 357 HA 0.02 0.22 0.90 -0.75 4.62 5.00 2cmzB1 TRP 357 HB2 0.29 0.11 -0.39 -0.04 3.23 3.20 2cmzB1 TRP 357 HB3 -0.01 -0.08 -0.11 -0.04 3.23 2.99 2cmzB1 TRP 357 HD1 -2.14 -0.01 -0.27 -0.04 7.22 4.75 2cmzB1 TRP 357 HE1 -0.52 0.61 0.11 -0.04 10.20 10.35 2cmzB1 TRP 357 HE3 0.17 0.37 0.13 -0.04 7.59 8.21 2cmzB1 TRP 357 HZ2 0.23 -0.01 -0.04 -0.04 7.44 7.58 2cmzB1 TRP 357 HZ3 -0.02 0.05 -0.26 -0.04 7.13 6.86 2cmzB1 TRP 357 HH2 -0.27 -0.08 -0.45 -0.04 7.19 6.35 2cmzB1 ASP 358 H -1.31 0.72 0.34 -0.55 8.40 7.60 2cmzB1 ASP 358 HA 0.04 0.18 0.94 -0.75 4.63 5.04 2cmzB1 ASP 358 HB2 -0.21 -0.02 -0.18 -0.04 2.71 2.26 2cmzB1 ASP 358 HB3 -0.29 -0.01 -0.02 -0.04 2.70 2.34 2cmzB1 ASP 359 H -1.59 0.16 0.04 -0.55 8.40 6.46 2cmzB1 ASP 359 HA -0.18 0.20 0.79 -0.75 4.63 4.69 2cmzB1 ASP 359 HB2 -0.51 -0.00 -0.01 -0.04 2.71 2.14 2cmzB1 ASP 359 HB3 -0.64 -0.02 0.28 -0.04 2.70 2.28 2cmzB1 TRP 360 H 0.20 0.22 0.16 -0.55 7.97 8.00 2cmzB1 TRP 360 HA 0.28 0.27 0.59 -0.75 4.62 5.01 2cmzB1 TRP 360 HB2 0.13 -0.00 0.01 -0.04 3.23 3.32 2cmzB1 TRP 360 HB3 0.13 -0.01 -0.08 -0.04 3.23 3.23 2cmzB1 TRP 360 HD1 0.15 0.08 -0.16 -0.04 7.22 7.25 2cmzB1 TRP 360 HE1 0.27 0.09 -0.17 -0.04 10.20 10.35 2cmzB1 TRP 360 HE3 0.15 0.05 -0.60 -0.04 7.59 7.15 2cmzB1 TRP 360 HZ2 0.33 0.03 -0.17 -0.04 7.44 7.59 2cmzB1 TRP 360 HZ3 0.04 0.10 -0.35 -0.04 7.13 6.88 2cmzB1 TRP 360 HH2 0.17 0.01 -0.25 -0.04 7.19 7.07 2cmzB1 ALA 361 H 0.33 0.49 0.38 -0.55 8.40 9.05 2cmzB1 ALA 361 HA 0.15 0.17 0.93 -0.75 4.34 4.84 2cmzB1 ALA 361 HB3 0.05 0.01 0.12 -0.04 1.41 1.54 2cmzB1 PRO 362 HA 0.09 0.22 0.71 -0.51 4.44 4.96 2cmzB1 PRO 362 HB2 0.04 -0.06 0.10 -0.04 2.28 2.31 2cmzB1 PRO 362 HB3 0.03 0.08 0.12 -0.04 2.02 2.21 2cmzB1 PRO 362 HG2 0.05 0.01 0.12 -0.04 2.03 2.16 2cmzB1 PRO 362 HG3 0.06 0.06 0.10 -0.04 2.03 2.21 2cmzB1 PRO 362 HD2 0.07 0.06 0.28 -0.04 3.68 4.04 2cmzB1 PRO 362 HD3 0.10 0.18 0.21 -0.04 3.65 4.10 2cmzB1 TYR 363 H 0.10 0.77 0.08 -0.55 8.29 8.69 2cmzB1 TYR 363 HA -0.01 0.05 0.63 -0.75 4.56 4.47 2cmzB1 TYR 363 HB2 0.00 0.12 -0.19 -0.04 3.06 2.95 2cmzB1 TYR 363 HB3 0.00 -0.06 -0.19 -0.04 2.98 2.70 2cmzB1 TYR 363 HD2 -0.03 0.02 -0.08 -0.04 7.15 7.02 2cmzB1 TYR 363 HE2 -0.04 0.00 -0.05 -0.04 6.85 6.72 2cmzB1 GLU 364 H -0.32 0.13 0.04 -0.55 8.60 7.91 2cmzB1 GLU 364 HA -0.19 0.06 0.33 -0.75 4.29 3.74 2cmzB1 GLU 364 HB2 -0.22 0.04 0.19 -0.04 2.09 2.06 2cmzB1 GLU 364 HB3 -0.18 0.03 0.18 -0.04 1.99 1.97 2cmzB1 GLU 364 HG2 -0.57 0.00 0.03 -0.04 2.34 1.76 2cmzB1 GLU 364 HG3 -1.22 0.01 -0.20 -0.04 2.34 0.89 2cmzB1 ASP 365 H -0.08 0.10 0.21 -0.55 8.40 8.09 2cmzB1 ASP 365 HA -0.04 0.14 0.54 -0.75 4.63 4.52 2cmzB1 ASP 365 HB2 -0.03 0.01 0.22 -0.04 2.71 2.86 2cmzB1 ASP 365 HB3 -0.04 -0.03 0.11 -0.04 2.70 2.71 2cmzB1 VAL 366 H -0.00 0.42 -0.60 -0.55 8.24 7.51 2cmzB1 VAL 366 HA -0.03 0.10 0.74 -0.75 4.13 4.18 2cmzB1 VAL 366 HB 0.03 -0.08 -0.06 -0.04 2.12 1.96 2cmzB1 VAL 366 HG13 0.03 -0.01 0.09 -0.04 0.97 1.04 2cmzB1 VAL 366 HG23 -0.05 0.01 -0.03 -0.04 0.95 0.84 2cmzB1 GLU 367 H -0.04 0.45 0.33 -0.55 8.60 8.79 2cmzB1 GLU 367 HA 0.14 0.20 0.82 -0.75 4.29 4.70 2cmzB1 GLU 367 HB2 -0.12 -0.02 0.07 -0.04 2.09 1.98 2cmzB1 GLU 367 HB3 0.26 -0.03 0.00 -0.04 1.99 2.18 2cmzB1 GLU 367 HG2 0.11 0.01 -0.25 -0.04 2.34 2.18 2cmzB1 GLU 367 HG3 0.01 -0.03 -0.46 -0.04 2.34 1.82 2cmzB1 ILE 368 H 0.26 0.61 0.34 -0.55 8.25 8.92 2cmzB1 ILE 368 HA 0.17 0.24 1.05 -0.75 4.18 4.89 2cmzB1 ILE 368 HB -0.15 -0.07 -0.14 -0.04 1.89 1.49 2cmzB1 ILE 368 HG12 -0.19 0.13 0.02 -0.04 1.49 1.41 2cmzB1 ILE 368 HG13 -0.16 0.13 0.00 -0.04 1.21 1.14 2cmzB1 ILE 368 HG23 -0.02 0.03 -0.00 -0.04 0.93 0.90 2cmzB1 ILE 368 HD13 -0.66 -0.05 -0.05 -0.04 0.88 0.08 2cmzB1 GLY 369 H 0.16 0.62 0.20 -0.55 8.43 8.87 2cmzB1 GLY 369 HA2 -0.11 0.22 0.85 -0.51 4.01 4.47 2cmzB1 GLY 369 HA3 -0.51 0.02 0.32 -0.51 4.01 3.34 2cmzB1 PRO 370 HA -0.07 0.20 0.49 -0.51 4.44 4.56 2cmzB1 PRO 370 HB2 -0.45 0.06 0.01 -0.04 2.28 1.85 2cmzB1 PRO 370 HB3 -0.44 -0.02 0.03 -0.04 2.02 1.55 2cmzB1 PRO 370 HG2 -0.83 0.06 0.07 -0.04 2.03 1.29 2cmzB1 PRO 370 HG3 -2.19 0.11 0.03 -0.04 2.03 -0.06 2cmzB1 PRO 370 HD2 -1.26 0.08 0.14 -0.04 3.68 2.60 2cmzB1 PRO 370 HD3 -2.85 0.13 0.14 -0.04 3.65 1.02 2cmzB1 ASN 371 H 0.03 0.85 0.48 -0.55 8.53 9.34 2cmzB1 ASN 371 HA 0.05 0.03 0.31 -0.75 4.76 4.39 2cmzB1 ASN 371 HB2 0.03 0.13 -0.14 -0.04 2.88 2.85 2cmzB1 ASN 371 HB3 0.07 0.05 0.13 -0.04 2.79 3.00 2cmzB1 ASN 371 HD21 0.15 0.01 0.02 -0.04 7.03 7.17 2cmzB1 ASN 371 HD22 0.04 0.10 -0.07 -0.04 7.74 7.77 2cmzB1 GLY 372 H -0.11 0.24 -0.42 -0.55 8.43 7.59 2cmzB1 GLY 372 HA2 -0.17 -0.09 0.28 -0.51 4.01 3.52 2cmzB1 GLY 372 HA3 -0.12 0.18 0.62 -0.51 4.01 4.18 2cmzB1 VAL 373 H -0.06 0.43 -0.19 -0.55 8.24 7.87 2cmzB1 VAL 373 HA -0.13 0.23 0.59 -0.75 4.13 4.06 2cmzB1 VAL 373 HB 0.06 -0.13 -0.02 -0.04 2.12 1.99 2cmzB1 VAL 373 HG13 -0.28 -0.01 -0.26 -0.04 0.97 0.38 2cmzB1 VAL 373 HG23 -0.07 0.06 -0.01 -0.04 0.95 0.89 2cmzB1 LEU 374 H -0.07 0.57 0.40 -0.55 8.37 8.73 2cmzB1 LEU 374 HA 0.04 0.24 1.18 -0.75 4.35 5.06 2cmzB1 LEU 374 HB2 -0.06 -0.09 0.12 -0.04 1.64 1.57 2cmzB1 LEU 374 HB3 -0.06 0.04 0.05 -0.04 1.64 1.63 2cmzB1 LEU 374 HG -0.07 0.18 -0.10 -0.04 1.64 1.60 2cmzB1 LEU 374 HD13 -0.01 -0.04 -0.02 -0.04 0.93 0.82 2cmzB1 LEU 374 HD23 -0.09 -0.02 -0.06 -0.04 0.89 0.68 2cmzB1 ARG 375 H -0.25 0.57 0.18 -0.55 8.46 8.41 2cmzB1 ARG 375 HA -0.82 0.15 0.90 -0.75 4.34 3.82 2cmzB1 ARG 375 HB2 -2.02 -0.00 -0.11 -0.04 1.90 -0.28 2cmzB1 ARG 375 HB3 -0.95 -0.05 0.04 -0.04 1.80 0.79 2cmzB1 ARG 375 HG2 -0.65 -0.02 -0.26 -0.04 1.67 0.70 2cmzB1 ARG 375 HG3 -1.28 0.04 -0.08 -0.04 1.67 0.31 2cmzB1 ARG 375 HD2 -0.88 0.01 -0.10 -0.04 3.22 2.21 2cmzB1 ARG 375 HD3 -1.69 -0.04 -0.12 -0.04 3.22 1.33 2cmzB1 THR 376 H -0.49 0.60 0.20 -0.55 8.28 8.03 2cmzB1 THR 376 HA -0.19 0.16 0.89 -0.75 4.39 4.50 2cmzB1 THR 376 HB -0.10 -0.05 0.15 -0.04 4.32 4.27 2cmzB1 THR 376 HG23 -0.12 0.05 -0.28 -0.04 1.22 0.83 2cmzB1 SER 377 H -0.11 0.19 0.18 -0.55 8.46 8.17 2cmzB1 SER 377 HA -0.13 0.15 0.59 -0.75 4.49 4.35 2cmzB1 SER 377 HB2 -0.06 0.03 0.12 -0.04 3.95 4.00 2cmzB1 SER 377 HB3 -0.07 0.03 0.13 -0.04 3.93 3.98 2cmzB1 SER 378 H -0.09 0.01 -0.19 -0.55 8.46 7.64 2cmzB1 SER 378 HA -0.04 0.16 0.65 -0.75 4.49 4.50 2cmzB1 SER 378 HB2 -0.05 0.01 -0.07 -0.04 3.95 3.80 2cmzB1 SER 378 HB3 -0.03 0.03 0.07 -0.04 3.93 3.95 2cmzB1 GLY 379 H -0.18 0.21 -0.58 -0.55 8.43 7.34 2cmzB1 GLY 379 HA2 -0.13 0.07 0.26 -0.51 4.01 3.69 2cmzB1 GLY 379 HA3 -0.02 0.25 0.84 -0.51 4.01 4.57 2cmzB1 TYR 380 H 0.20 0.70 0.23 -0.55 8.29 8.87 2cmzB1 TYR 380 HA -0.15 0.36 1.02 -0.75 4.56 5.04 2cmzB1 TYR 380 HB2 0.10 -0.09 0.03 -0.04 3.06 3.06 2cmzB1 TYR 380 HB3 -0.03 0.03 -0.07 -0.04 2.98 2.86 2cmzB1 TYR 380 HD2 -0.14 0.07 -0.32 -0.04 7.15 6.71 2cmzB1 TYR 380 HE2 -0.32 0.11 -0.08 -0.04 6.85 6.52 2cmzB1 LYS 381 H -0.06 0.64 0.34 -0.55 8.42 8.78 2cmzB1 LYS 381 HA 0.13 0.26 0.99 -0.75 4.32 4.94 2cmzB1 LYS 381 HB2 -0.03 -0.08 0.11 -0.04 1.87 1.83 2cmzB1 LYS 381 HB3 0.01 0.02 -0.06 -0.04 1.79 1.73 2cmzB1 LYS 381 HG2 0.00 0.03 -0.32 -0.04 1.46 1.14 2cmzB1 LYS 381 HG3 -0.06 0.12 -0.30 -0.04 1.46 1.19 2cmzB1 LYS 381 HD2 -0.06 -0.04 -0.13 -0.04 1.69 1.42 2cmzB1 LYS 381 HD3 -0.03 -0.03 -0.08 -0.04 1.68 1.51 2cmzB1 LYS 381 HE2 -0.00 0.04 -0.12 -0.04 2.99 2.86 2cmzB1 LYS 381 HE3 -0.02 -0.00 -0.16 -0.04 2.99 2.77 2cmzB1 PHE 382 H 0.32 0.69 0.34 -0.55 8.34 9.15 2cmzB1 PHE 382 HA 0.06 0.12 0.68 -0.75 4.62 4.73 2cmzB1 PHE 382 HB2 -0.03 0.08 0.21 -0.04 3.15 3.36 2cmzB1 PHE 382 HB3 0.02 0.02 0.00 -0.04 3.06 3.05 2cmzB1 PHE 382 HD2 0.06 0.11 -0.07 -0.04 7.28 7.34 2cmzB1 PHE 382 HE2 -0.04 -0.01 -0.13 -0.04 7.38 7.16 2cmzB1 PHE 382 HZ -0.11 -0.04 -0.15 -0.04 7.32 6.98 2cmzB1 PRO 383 HA 0.03 -0.01 0.50 -0.51 4.44 4.44 2cmzB1 PRO 383 HB2 0.07 -0.09 0.13 -0.04 2.28 2.35 2cmzB1 PRO 383 HB3 -0.02 -0.03 0.10 -0.04 2.02 2.03 2cmzB1 PRO 383 HG2 -0.01 0.32 0.13 -0.04 2.03 2.43 2cmzB1 PRO 383 HG3 -0.04 0.12 -0.00 -0.04 2.03 2.06 2cmzB1 PRO 383 HD2 0.10 0.11 0.14 -0.04 3.68 3.99 2cmzB1 PRO 383 HD3 -0.03 0.26 0.04 -0.04 3.65 3.89 2cmzB1 LEU 384 H 0.05 0.15 0.21 -0.55 8.37 8.24 2cmzB1 LEU 384 HA 0.03 0.13 0.43 -0.75 4.35 4.19 2cmzB1 LEU 384 HB2 0.07 -0.01 0.12 -0.04 1.64 1.77 2cmzB1 LEU 384 HB3 0.05 0.01 0.09 -0.04 1.64 1.75 2cmzB1 LEU 384 HG 0.02 0.02 0.10 -0.04 1.64 1.74 2cmzB1 LEU 384 HD13 0.02 0.00 0.02 -0.04 0.93 0.94 2cmzB1 LEU 384 HD23 -0.02 0.04 0.02 -0.04 0.89 0.89 2cmzB1 TYR 385 H 0.19 0.09 -0.19 -0.55 8.29 7.83 2cmzB1 TYR 385 HA 0.12 0.08 0.50 -0.75 4.56 4.50 2cmzB1 TYR 385 HB2 0.18 -0.04 0.05 -0.04 3.06 3.22 2cmzB1 TYR 385 HB3 0.09 0.08 -0.08 -0.04 2.98 3.04 2cmzB1 TYR 385 HD2 0.15 0.06 -0.12 -0.04 7.15 7.20 2cmzB1 TYR 385 HE2 0.04 0.03 -0.02 -0.04 6.85 6.85 2cmzB1 MET 386 H 0.16 0.14 -0.26 -0.55 8.47 7.96 2cmzB1 MET 386 HA 0.08 0.12 0.51 -0.75 4.52 4.48 2cmzB1 MET 386 HB2 0.14 0.03 0.12 -0.04 2.15 2.40 2cmzB1 MET 386 HB3 0.15 0.22 0.13 -0.04 2.03 2.49 2cmzB1 MET 386 HG2 0.15 -0.03 -0.20 -0.04 2.63 2.52 2cmzB1 MET 386 HG3 0.16 0.06 0.05 -0.04 2.56 2.79 2cmzB1 MET 386 HE3 0.42 0.00 0.01 -0.04 2.10 2.49 2cmzB1 ILE 387 H 0.05 0.34 -0.13 -0.55 8.25 7.97 2cmzB1 ILE 387 HA 0.00 0.10 0.37 -0.75 4.18 3.89 2cmzB1 ILE 387 HB -0.05 -0.01 0.16 -0.04 1.89 1.95 2cmzB1 ILE 387 HG12 0.02 0.15 -0.11 -0.04 1.49 1.51 2cmzB1 ILE 387 HG13 -0.16 -0.01 -0.02 -0.04 1.21 0.98 2cmzB1 ILE 387 HG23 -0.32 -0.01 -0.12 -0.04 0.93 0.44 2cmzB1 ILE 387 HD13 -0.28 0.01 -0.12 -0.04 0.88 0.44 2cmzB1 GLY 388 H 0.00 0.68 -0.03 -0.55 8.43 8.53 2cmzB1 GLY 388 HA2 0.04 0.02 0.40 -0.51 4.01 3.95 2cmzB1 GLY 388 HA3 -0.02 0.06 0.34 -0.51 4.01 3.88 2cmzB1 HIS 389 H -0.06 0.59 -0.18 -0.55 8.41 8.22 2cmzB1 HIS 389 HA -0.16 -0.03 0.50 -0.75 4.63 4.19 2cmzB1 HIS 389 HB2 -0.58 0.14 0.20 -0.04 3.26 2.98 2cmzB1 HIS 389 HB3 -0.12 0.08 0.15 -0.04 3.20 3.27 2cmzB1 HIS 389 HD2 -0.17 -0.03 0.03 -0.04 6.97 6.75 2cmzB1 HIS 389 HE1 0.02 -0.03 -0.03 -0.04 7.75 7.66 2cmzB1 GLY 390 H 0.09 0.48 -0.26 -0.55 8.43 8.19 2cmzB1 GLY 390 HA2 0.09 -0.00 0.58 -0.51 4.01 4.17 2cmzB1 GLY 390 HA3 0.10 0.32 0.44 -0.51 4.01 4.35 2cmzB1 MET 391 H 0.07 0.41 -0.11 -0.55 8.47 8.29 2cmzB1 MET 391 HA 0.05 0.04 0.51 -0.75 4.52 4.37 2cmzB1 MET 391 HB2 0.04 0.11 0.18 -0.04 2.15 2.45 2cmzB1 MET 391 HB3 0.05 -0.07 0.04 -0.04 2.03 2.01 2cmzB1 MET 391 HG2 0.27 -0.01 0.07 -0.04 2.63 2.92 2cmzB1 MET 391 HG3 0.20 0.30 0.05 -0.04 2.56 3.07 2cmzB1 MET 391 HE3 0.06 -0.00 0.01 -0.04 2.10 2.12 2cmzB1 LEU 392 H -0.03 0.56 -0.10 -0.55 8.37 8.25 2cmzB1 LEU 392 HA -0.04 -0.00 0.44 -0.75 4.35 3.99 2cmzB1 LEU 392 HB2 -0.10 -0.01 0.13 -0.04 1.64 1.63 2cmzB1 LEU 392 HB3 -0.18 0.17 0.22 -0.04 1.64 1.80 2cmzB1 LEU 392 HG -0.15 0.00 -0.18 -0.04 1.64 1.27 2cmzB1 LEU 392 HD13 -0.07 -0.03 0.03 -0.04 0.93 0.82 2cmzB1 LEU 392 HD23 -0.24 -0.00 0.01 -0.04 0.89 0.62 2cmzB1 ASP 393 H -0.03 0.38 -0.35 -0.55 8.40 7.85 2cmzB1 ASP 393 HA -0.03 -0.02 0.23 -0.75 4.63 4.07 2cmzB1 ASP 393 HB2 0.04 0.12 0.20 -0.04 2.71 3.03 2cmzB1 ASP 393 HB3 0.03 -0.05 0.04 -0.04 2.70 2.68 2cmzB1 SER 394 H 0.01 0.44 -0.23 -0.55 8.46 8.13 2cmzB1 SER 394 HA 0.04 0.00 0.47 -0.75 4.49 4.25 2cmzB1 SER 394 HB2 0.01 -0.01 0.15 -0.04 3.95 4.06 2cmzB1 SER 394 HB3 0.01 0.16 0.29 -0.04 3.93 4.34 2cmzB1 ASP 395 H 0.00 0.65 0.00 -0.55 8.40 8.51 2cmzB1 ASP 395 HA 0.01 0.01 0.64 -0.75 4.63 4.53 2cmzB1 ASP 395 HB2 -0.01 0.11 0.16 -0.04 2.71 2.92 2cmzB1 ASP 395 HB3 -0.01 -0.06 -0.01 -0.04 2.70 2.58 2cmzB1 LEU 396 H 0.00 0.62 -0.15 -0.55 8.37 8.30 2cmzB1 LEU 396 HA -0.01 -0.01 0.40 -0.75 4.35 3.97 2cmzB1 LEU 396 HB2 0.01 0.12 0.16 -0.04 1.64 1.88 2cmzB1 LEU 396 HB3 0.00 -0.06 -0.03 -0.04 1.64 1.52 2cmzB1 LEU 396 HG -0.04 0.17 0.08 -0.04 1.64 1.81 2cmzB1 LEU 396 HD13 -0.06 -0.03 -0.09 -0.04 0.93 0.71 2cmzB1 LEU 396 HD23 -0.04 -0.03 0.03 -0.04 0.89 0.81 2cmzB1 HIS 397 H 0.12 0.64 -0.05 -0.55 8.41 8.58 2cmzB1 HIS 397 HA 0.00 0.01 0.44 -0.75 4.63 4.32 2cmzB1 HIS 397 HB2 0.01 -0.02 0.12 -0.04 3.26 3.33 2cmzB1 HIS 397 HB3 0.00 0.10 0.22 -0.04 3.20 3.48 2cmzB1 HIS 397 HD2 0.00 0.01 -0.11 -0.04 6.97 6.83 2cmzB1 HIS 397 HE1 0.02 -0.02 -0.03 -0.04 7.75 7.67 2cmzB1 LEU 398 H 0.09 0.61 -0.05 -0.55 8.37 8.48 2cmzB1 LEU 398 HA -0.11 0.01 0.35 -0.75 4.35 3.86 2cmzB1 LEU 398 HB2 0.02 0.07 0.15 -0.04 1.64 1.83 2cmzB1 LEU 398 HB3 -0.00 -0.07 0.06 -0.04 1.64 1.59 2cmzB1 LEU 398 HG 0.16 0.08 0.11 -0.04 1.64 1.95 2cmzB1 LEU 398 HD13 0.02 -0.02 -0.04 -0.04 0.93 0.85 2cmzB1 LEU 398 HD23 0.07 -0.02 0.01 -0.04 0.89 0.91 2cmzB1 SER 399 H -0.02 0.52 -0.37 -0.55 8.46 8.05 2cmzB1 SER 399 HA -0.03 0.01 0.48 -0.75 4.49 4.19 2cmzB1 SER 399 HB2 -0.02 0.15 0.12 -0.04 3.95 4.16 2cmzB1 SER 399 HB3 -0.03 -0.13 0.08 -0.04 3.93 3.81 2cmzB1 SER 400 H -0.07 0.43 -0.35 -0.55 8.46 7.92 2cmzB1 SER 400 HA -0.04 0.09 0.81 -0.75 4.49 4.60 2cmzB1 SER 400 HB2 -0.02 -0.11 0.17 -0.04 3.95 3.95 2cmzB1 SER 400 HB3 -0.03 -0.04 0.06 -0.04 3.93 3.88 2cmzB1 LYS 401 H -0.08 0.23 -0.40 -0.55 8.42 7.62 2cmzB1 LYS 401 HA -0.08 0.02 0.61 -0.75 4.32 4.11 2cmzB1 LYS 401 HB2 -0.06 0.10 0.13 -0.04 1.87 2.01 2cmzB1 LYS 401 HB3 -0.05 -0.04 -0.06 -0.04 1.79 1.60 2cmzB1 LYS 401 HG2 -0.05 -0.05 0.05 -0.04 1.46 1.37 2cmzB1 LYS 401 HG3 -0.06 -0.02 0.08 -0.04 1.46 1.43 2cmzB1 LYS 401 HD2 -0.15 0.17 0.07 -0.04 1.69 1.74 2cmzB1 LYS 401 HD3 -0.10 -0.07 0.04 -0.04 1.68 1.52 2cmzB1 LYS 401 HE2 -0.10 -0.06 0.01 -0.04 2.99 2.80 2cmzB1 LYS 401 HE3 -0.12 -0.01 0.05 -0.04 2.99 2.88 2cmzB1 ALA 402 H -0.06 0.13 0.18 -0.55 8.40 8.11 2cmzB1 ALA 402 HA -0.05 0.09 0.84 -0.75 4.34 4.47 2cmzB1 ALA 402 HB3 -0.07 0.03 -0.09 -0.04 1.41 1.24 2cmzB1 GLN 403 H -0.10 0.31 0.22 -0.55 8.47 8.35 2cmzB1 GLN 403 HA -0.08 0.10 0.79 -0.75 4.36 4.42 2cmzB1 GLN 403 HB2 -0.06 0.03 0.03 -0.04 2.15 2.11 2cmzB1 GLN 403 HB3 -0.07 -0.03 0.11 -0.04 2.02 1.99 2cmzB1 GLN 403 HG2 -0.20 0.00 0.11 -0.04 2.40 2.27 2cmzB1 GLN 403 HG3 -0.39 -0.03 -0.27 -0.04 2.39 1.67 2cmzB1 GLN 403 HE21 0.01 0.08 -0.00 -0.04 6.97 7.03 2cmzB1 GLN 403 HE22 0.00 0.05 -0.11 -0.04 7.69 7.58 2cmzB1 VAL 404 H -0.07 0.18 0.14 -0.55 8.24 7.94 2cmzB1 VAL 404 HA -0.18 0.23 0.89 -0.75 4.13 4.31 2cmzB1 VAL 404 HB -0.01 -0.07 0.13 -0.04 2.12 2.13 2cmzB1 VAL 404 HG13 0.03 0.06 -0.12 -0.04 0.97 0.90 2cmzB1 VAL 404 HG23 -0.04 0.02 -0.05 -0.04 0.95 0.83 2cmzB1 PHE 405 H -0.32 0.38 0.16 -0.55 8.34 8.00 2cmzB1 PHE 405 HA -0.05 -0.02 0.49 -0.75 4.62 4.28 2cmzB1 PHE 405 HB2 -0.16 0.01 0.11 -0.04 3.15 3.07 2cmzB1 PHE 405 HB3 -0.15 -0.05 -0.02 -0.04 3.06 2.80 2cmzB1 PHE 405 HD2 -0.30 -0.03 -0.06 -0.04 7.28 6.86 2cmzB1 PHE 405 HE2 -0.53 -0.02 -0.05 -0.04 7.38 6.74 2cmzB1 PHE 405 HZ -0.02 0.16 -0.16 -0.04 7.32 7.26 2cmzB1 GLU 406 H 0.16 0.10 0.22 -0.55 8.60 8.53 2cmzB1 GLU 406 HA 0.15 0.18 0.87 -0.75 4.29 4.74 2cmzB1 GLU 406 HB2 0.06 -0.07 0.07 -0.04 2.09 2.10 2cmzB1 GLU 406 HB3 0.08 0.09 0.03 -0.04 1.99 2.15 2cmzB1 GLU 406 HG2 0.09 0.01 -0.02 -0.04 2.34 2.37 2cmzB1 GLU 406 HG3 0.08 0.22 -0.11 -0.04 2.34 2.48 2cmzB1 HIS 407 H 0.15 0.15 0.14 -0.55 8.41 8.30 2cmzB1 HIS 407 HA 0.02 0.01 0.72 -0.75 4.63 4.63 2cmzB1 HIS 407 HB2 -0.04 -0.02 0.16 -0.04 3.26 3.32 2cmzB1 HIS 407 HB3 -0.04 0.11 0.02 -0.04 3.20 3.25 2cmzB1 HIS 407 HD2 -0.35 0.04 0.00 -0.04 6.97 6.62 2cmzB1 HIS 407 HE1 -0.09 -0.02 -0.06 -0.04 7.75 7.54 2cmzB1 PRO 408 HA -0.34 0.06 0.44 -0.51 4.44 4.08 2cmzB1 PRO 408 HB2 -0.04 -0.01 -0.13 -0.04 2.28 2.06 2cmzB1 PRO 408 HB3 -0.08 0.02 0.08 -0.04 2.02 2.00 2cmzB1 PRO 408 HG2 -0.04 -0.03 -0.11 -0.04 2.03 1.81 2cmzB1 PRO 408 HG3 -0.08 0.13 0.18 -0.04 2.03 2.23 2cmzB1 PRO 408 HD2 0.02 0.05 0.21 -0.04 3.68 3.92 2cmzB1 PRO 408 HD3 -0.07 0.14 0.40 -0.04 3.65 4.08 2cmzB1 HIS 409 H -0.20 0.17 0.17 -0.55 8.41 8.01 2cmzB1 HIS 409 HA 0.02 0.21 0.75 -0.75 4.63 4.85 2cmzB1 HIS 409 HB2 0.01 -0.02 -0.04 -0.04 3.26 3.17 2cmzB1 HIS 409 HB3 0.01 -0.01 0.08 -0.04 3.20 3.23 2cmzB1 HIS 409 HD2 0.02 0.06 -0.15 -0.04 6.97 6.85 2cmzB1 HIS 409 HE1 0.02 -0.02 -0.02 -0.04 7.75 7.68 2cmzB1 ILE 410 H 0.10 0.20 0.01 -0.55 8.25 8.01 2cmzB1 ILE 410 HA 0.04 0.08 0.16 -0.75 4.18 3.70 2cmzB1 ILE 410 HB 0.03 0.16 0.09 -0.04 1.89 2.13 2cmzB1 ILE 410 HG12 0.02 0.02 -0.03 -0.04 1.49 1.47 2cmzB1 ILE 410 HG13 0.07 -0.11 -0.25 -0.04 1.21 0.88 2cmzB1 ILE 410 HG23 0.00 -0.01 0.05 -0.04 0.93 0.93 2cmzB1 ILE 410 HD13 0.03 0.02 -0.08 -0.04 0.88 0.81