============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TRP 9 1.040 1.753 -57.546 15.111 -99.200 -91.000 TRP6 9 1.020 -0.460 -58.368 14.992 -99.200 -91.000 TYR 16 0.840 8.312 -49.016 12.021 -99.200 -91.000 PHE 26 1.000 14.519 -62.379 24.590 -99.200 -91.000 HIS 38 0.900 5.489 -50.854 10.053 -99.200 -91.000 PHE 46 1.000 -3.434 -58.181 20.872 -99.200 -91.000 PHE 60 1.000 5.922 -52.338 22.753 -99.200 -91.000 TRP 61 1.040 -3.331 -48.385 20.825 -99.200 -91.000 TRP6 61 1.020 -2.817 -47.662 18.634 -99.200 -91.000 HIS 63 0.900 -3.427 -45.274 29.340 -99.200 -91.000 PHE 66 1.000 -2.101 -52.551 25.919 -99.200 -91.000 TYR 69 0.840 -6.416 -54.901 22.962 -99.200 -91.000 PHE 84 1.000 10.913 -53.748 35.506 -99.200 -91.000 TYR 89 0.840 8.541 -41.329 37.404 -99.200 -91.000 PHE 91 1.000 2.698 -41.173 35.745 -99.200 -91.000 TRP 93 1.040 4.512 -49.926 37.825 -99.200 -91.000 TRP6 93 1.020 4.892 -51.783 36.409 -99.200 -91.000 TYR 98 0.840 -10.674 -54.138 33.136 -99.200 -91.000 TYR 105 0.840 6.159 -56.131 31.889 -99.200 -91.000 TYR 116 0.840 6.229 -22.314 18.026 -99.200 -91.000 TRP 128 1.040 -7.741 -24.038 20.518 -99.200 -91.000 TRP6 128 1.020 -7.277 -25.730 18.935 -99.200 -91.000 PHE 148 1.000 -5.954 -29.705 14.963 -99.200 -91.000 TYR 154 0.840 -4.205 -38.743 21.210 -99.200 -91.000 PHE 155 1.000 -3.844 -36.556 16.054 -99.200 -91.000 TRP 157 1.040 -10.979 -35.626 24.632 -99.200 -91.000 TRP6 157 1.020 -13.334 -35.815 24.701 -99.200 -91.000 TYR 166 0.840 -18.277 -35.587 31.711 -99.200 -91.000 PHE 168 1.000 -17.095 -43.908 29.003 -99.200 -91.000 TYR 170 0.840 -11.492 -41.563 39.300 -99.200 -91.000 TYR 175 0.840 -12.575 -43.671 34.657 -99.200 -91.000 PHE 193 1.000 -12.528 -21.546 17.069 -99.200 -91.000 HIS 202 0.900 -10.464 -19.683 9.180 -99.200 -91.000 TYR 209 0.840 0.338 -38.500 11.893 -99.200 -91.000 PHE 216 1.000 5.309 -27.631 11.568 -99.200 -91.000 TRP 229 1.040 3.781 -39.468 17.523 -99.200 -91.000 TRP6 229 1.020 2.267 -39.367 19.334 -99.200 -91.000 TRP 231 1.040 8.613 -33.491 19.317 -99.200 -91.000 TRP6 231 1.020 9.048 -33.994 21.586 -99.200 -91.000 TYR 241 0.840 10.886 -29.767 15.830 -99.200 -91.000 PHE 249 1.000 -13.670 -23.398 22.518 -99.200 -91.000 PHE 257 1.000 -9.839 -38.777 27.484 -99.200 -91.000 PHE 278 1.000 12.217 -57.257 23.554 -99.200 -91.000 TYR 282 0.840 17.304 -58.919 26.760 -99.200 -91.000 TYR 306 0.840 16.276 -42.598 28.173 -99.200 -91.000 PHE 338 1.000 -14.548 -40.550 24.645 -99.200 -91.000 TRP 339 1.040 -10.336 -43.287 22.226 -99.200 -91.000 TRP6 339 1.020 -10.022 -40.945 22.350 -99.200 -91.000 TYR 340 0.840 -17.960 -46.043 15.426 -99.200 -91.000 HIS 373 0.900 -13.980 -57.435 17.012 -99.200 -91.000 TYR 374 0.840 -17.124 -49.560 17.258 -99.200 -91.000 PHE 398 1.000 -36.210 -50.205 -9.304 -99.200 -91.000 HIS 406 0.900 -49.711 -35.001 -9.757 -99.200 -91.000 PHE 410 1.000 -51.673 -23.020 -12.872 -99.200 -91.000 HIS 445 0.900 -28.841 -44.383 11.713 -99.200 -91.000 HIS 451 0.900 -21.540 -42.005 -9.547 -99.200 -91.000 TYR 459 0.840 -42.139 -32.721 -16.076 -99.200 -91.000 TYR 463 0.840 -48.957 -23.950 -19.228 -99.200 -91.000 HIS 468 0.900 -39.277 -32.636 -22.860 -99.200 -91.000 PHE 476 1.000 -32.244 -39.794 -5.559 -99.200 -91.000 PHE 495 1.000 -34.954 -46.824 -0.283 -99.200 -91.000 PHE 500 1.000 -36.639 -34.985 -4.956 -99.200 -91.000 HIS 506 0.900 -33.325 -26.459 -16.891 -99.200 -91.000 PHE 517 1.000 -39.610 -20.604 -14.763 -99.200 -91.000 PHE 528 1.000 -39.922 -33.217 -10.287 -99.200 -91.000 PHE 544 1.000 -31.162 -49.704 -2.487 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h4zC1 ILE 2 HA -0.06 0.15 0.26 -0.75 4.18 3.78 3h4zC1 GLU 3 H -0.03 0.09 0.08 -0.55 8.60 8.19 3h4zC1 GLU 3 HA -0.02 -0.03 0.37 -0.75 4.29 3.85 3h4zC1 GLU 4 H -0.02 0.10 0.12 -0.55 8.60 8.25 3h4zC1 GLU 4 HA -0.02 0.11 0.59 -0.75 4.29 4.22 3h4zC1 GLU 4 HB2 -0.01 0.02 0.07 -0.04 2.09 2.12 3h4zC1 GLU 4 HB3 -0.01 -0.02 0.12 -0.04 1.99 2.05 3h4zC1 GLU 4 HG2 -0.00 -0.00 -0.11 -0.04 2.34 2.18 3h4zC1 GLU 4 HG3 -0.01 0.15 0.11 -0.04 2.34 2.55 3h4zC1 GLY 5 H -0.00 0.19 0.14 -0.55 8.43 8.21 3h4zC1 GLY 5 HA2 0.01 0.00 0.35 -0.51 4.01 3.86 3h4zC1 GLY 5 HA3 -0.00 0.15 0.71 -0.51 4.01 4.36 3h4zC1 LYS 6 H -0.02 0.19 -0.25 -0.55 8.42 7.78 3h4zC1 LYS 6 HA -0.01 0.26 0.86 -0.75 4.32 4.67 3h4zC1 LEU 7 H -0.07 0.29 0.16 -0.55 8.37 8.20 3h4zC1 LEU 7 HA -0.12 0.12 0.86 -0.75 4.35 4.46 3h4zC1 LEU 7 HB2 -0.22 0.05 0.21 -0.04 1.64 1.64 3h4zC1 LEU 7 HB3 -0.31 -0.04 -0.02 -0.04 1.64 1.23 3h4zC1 LEU 7 HG -0.09 0.05 -0.45 -0.04 1.64 1.11 3h4zC1 LEU 7 HD13 -0.82 0.01 -0.17 -0.04 0.93 -0.08 3h4zC1 LEU 7 HD23 -0.17 -0.00 -0.06 -0.04 0.89 0.62 3h4zC1 VAL 8 H -0.13 0.21 0.19 -0.55 8.24 7.97 3h4zC1 VAL 8 HA -0.08 0.16 0.96 -0.75 4.13 4.41 3h4zC1 VAL 8 HB -0.22 -0.13 0.30 -0.04 2.12 2.04 3h4zC1 VAL 8 HG13 -0.22 0.02 -0.13 -0.04 0.97 0.59 3h4zC1 VAL 8 HG23 -0.08 0.05 -0.07 -0.04 0.95 0.81 3h4zC1 ILE 9 H -0.03 0.53 0.27 -0.55 8.25 8.46 3h4zC1 ILE 9 HA -0.05 0.36 1.18 -0.75 4.18 4.92 3h4zC1 ILE 9 HB 0.00 0.14 0.14 -0.04 1.89 2.14 3h4zC1 ILE 9 HG12 0.05 0.00 -0.12 -0.04 1.49 1.38 3h4zC1 ILE 9 HG13 0.02 -0.06 -0.07 -0.04 1.21 1.05 3h4zC1 ILE 9 HG23 0.19 -0.02 -0.25 -0.04 0.93 0.81 3h4zC1 ILE 9 HD13 -0.21 -0.08 -0.50 -0.04 0.88 0.05 3h4zC1 TRP 10 H 0.20 0.51 0.37 -0.55 7.97 8.50 3h4zC1 TRP 10 HA 0.01 0.51 1.20 -0.75 4.62 5.59 3h4zC1 TRP 10 HB2 0.03 -0.05 0.18 -0.04 3.23 3.35 3h4zC1 TRP 10 HB3 0.02 -0.03 0.03 -0.04 3.23 3.21 3h4zC1 TRP 10 HD1 -0.02 0.13 -0.14 -0.04 7.22 7.14 3h4zC1 TRP 10 HE1 -0.03 -0.00 -0.11 -0.04 10.20 10.01 3h4zC1 TRP 10 HE3 0.08 -0.03 -0.03 -0.04 7.59 7.57 3h4zC1 TRP 10 HZ2 -0.03 0.04 -0.10 -0.04 7.44 7.31 3h4zC1 TRP 10 HZ3 0.06 -0.04 -0.10 -0.04 7.13 7.01 3h4zC1 TRP 10 HH2 -0.03 0.03 -0.07 -0.04 7.19 7.08 3h4zC1 ILE 11 H 0.18 0.55 0.30 -0.55 8.25 8.73 3h4zC1 ILE 11 HA 0.29 0.16 0.79 -0.75 4.18 4.67 3h4zC1 ILE 11 HB -0.12 0.03 -0.23 -0.04 1.89 1.53 3h4zC1 ILE 11 HG12 0.08 0.08 -0.07 -0.04 1.49 1.54 3h4zC1 ILE 11 HG13 0.12 -0.05 0.00 -0.04 1.21 1.25 3h4zC1 ILE 11 HG23 0.12 0.02 -0.27 -0.04 0.93 0.76 3h4zC1 ILE 11 HD13 -0.11 -0.01 -0.29 -0.04 0.88 0.43 3h4zC1 ASN 12 H 0.18 0.11 0.09 -0.55 8.53 8.37 3h4zC1 ASN 12 HA 0.14 0.16 0.63 -0.75 4.76 4.94 3h4zC1 ASN 12 HB2 0.35 0.05 0.11 -0.04 2.88 3.35 3h4zC1 ASN 12 HB3 -0.08 -0.04 0.07 -0.04 2.79 2.69 3h4zC1 ASN 12 HD21 -0.09 0.05 0.02 -0.04 7.03 6.96 3h4zC1 ASN 12 HD22 -0.25 -0.03 -0.05 -0.04 7.74 7.36 3h4zC1 GLY 13 H 0.04 0.23 0.22 -0.55 8.43 8.37 3h4zC1 GLY 13 HA2 0.06 0.11 0.37 -0.51 4.01 4.05 3h4zC1 GLY 13 HA3 -0.02 0.07 0.39 -0.51 4.01 3.95 3h4zC1 ASP 14 H -0.13 -0.06 -0.42 -0.55 8.40 7.24 3h4zC1 ASP 14 HA -0.07 0.19 0.60 -0.75 4.63 4.60 3h4zC1 ASP 14 HB2 -0.22 0.03 0.05 -0.04 2.71 2.53 3h4zC1 ASP 14 HB3 -0.33 -0.05 0.02 -0.04 2.70 2.30 3h4zC1 LYS 15 H -0.06 0.53 -0.18 -0.55 8.42 8.15 3h4zC1 LYS 15 HA -0.04 0.18 0.71 -0.75 4.32 4.42 3h4zC1 LYS 15 HB2 -0.01 0.05 -0.07 -0.04 1.87 1.80 3h4zC1 LYS 15 HB3 -0.03 0.02 -0.06 -0.04 1.79 1.67 3h4zC1 LYS 15 HG2 -0.25 -0.12 -0.08 -0.04 1.46 0.96 3h4zC1 LYS 15 HG3 -0.15 -0.07 -0.06 -0.04 1.46 1.15 3h4zC1 LYS 15 HD2 -0.14 0.05 -0.09 -0.04 1.69 1.47 3h4zC1 LYS 15 HD3 -0.27 0.15 -0.25 -0.04 1.68 1.26 3h4zC1 LYS 15 HE2 -1.17 0.01 -0.11 -0.04 2.99 1.68 3h4zC1 LYS 15 HE3 -1.12 -0.06 -0.16 -0.04 2.99 1.61 3h4zC1 GLY 16 H -0.01 0.24 0.03 -0.55 8.43 8.14 3h4zC1 GLY 16 HA2 -0.20 0.10 0.33 -0.51 4.01 3.73 3h4zC1 GLY 16 HA3 -0.05 0.12 0.41 -0.51 4.01 3.98 3h4zC1 TYR 17 H -0.50 0.57 0.34 -0.55 8.29 8.15 3h4zC1 TYR 17 HA -0.06 0.08 0.46 -0.75 4.56 4.29 3h4zC1 TYR 17 HB2 0.03 0.03 -0.11 -0.04 3.06 2.97 3h4zC1 TYR 17 HB3 -0.03 0.01 -0.15 -0.04 2.98 2.77 3h4zC1 TYR 17 HD2 -0.07 0.04 -0.25 -0.04 7.15 6.83 3h4zC1 TYR 17 HE2 -0.26 0.04 0.09 -0.04 6.85 6.68 3h4zC1 ASN 18 H -0.31 0.15 -0.03 -0.55 8.53 7.79 3h4zC1 ASN 18 HA 0.15 0.17 0.53 -0.75 4.76 4.85 3h4zC1 ASN 18 HB2 -0.10 0.02 0.04 -0.04 2.88 2.80 3h4zC1 ASN 18 HB3 0.02 0.05 0.05 -0.04 2.79 2.88 3h4zC1 ASN 18 HD21 0.36 0.04 -0.01 -0.04 7.03 7.38 3h4zC1 ASN 18 HD22 0.21 0.01 0.02 -0.04 7.74 7.94 3h4zC1 GLY 19 H -0.04 0.02 -0.42 -0.55 8.43 7.44 3h4zC1 GLY 19 HA2 0.02 0.14 0.59 -0.51 4.01 4.25 3h4zC1 GLY 19 HA3 0.01 0.12 0.43 -0.51 4.01 4.07 3h4zC1 LEU 20 H 0.02 0.22 -0.37 -0.55 8.37 7.70 3h4zC1 LEU 20 HA 0.05 0.03 0.28 -0.75 4.35 3.96 3h4zC1 LEU 20 HB2 -0.06 0.03 0.01 -0.04 1.64 1.57 3h4zC1 LEU 20 HB3 0.01 0.14 -0.02 -0.04 1.64 1.73 3h4zC1 LEU 20 HG 0.06 0.02 -0.07 -0.04 1.64 1.61 3h4zC1 LEU 20 HD13 0.08 -0.02 -0.09 -0.04 0.93 0.86 3h4zC1 LEU 20 HD23 -0.44 -0.01 -0.15 -0.04 0.89 0.25 3h4zC1 ALA 21 H 0.07 0.13 -1.29 -0.55 8.40 6.75 3h4zC1 ALA 21 HA 0.07 0.09 0.42 -0.75 4.34 4.17 3h4zC1 ALA 21 HB3 0.08 0.08 0.11 -0.04 1.41 1.63 3h4zC1 GLU 22 H 0.07 0.33 -0.05 -0.55 8.60 8.40 3h4zC1 GLU 22 HA 0.07 0.05 0.36 -0.75 4.29 4.02 3h4zC1 GLU 22 HB2 0.06 0.08 0.18 -0.04 2.09 2.37 3h4zC1 GLU 22 HB3 0.07 -0.00 0.01 -0.04 1.99 2.02 3h4zC1 GLU 22 HG2 0.04 0.02 0.07 -0.04 2.34 2.43 3h4zC1 GLU 22 HG3 0.05 -0.02 0.06 -0.04 2.34 2.39 3h4zC1 VAL 23 H 0.10 0.29 -0.19 -0.55 8.24 7.89 3h4zC1 VAL 23 HA 0.18 0.03 0.28 -0.75 4.13 3.87 3h4zC1 VAL 23 HB 0.15 0.06 -0.11 -0.04 2.12 2.18 3h4zC1 VAL 23 HG13 0.01 0.00 -0.26 -0.04 0.97 0.68 3h4zC1 VAL 23 HG23 0.05 0.02 0.02 -0.04 0.95 1.00 3h4zC1 GLY 24 H 0.18 0.23 -0.84 -0.55 8.43 7.44 3h4zC1 GLY 24 HA2 0.05 -0.03 0.38 -0.51 4.01 3.90 3h4zC1 GLY 24 HA3 0.04 0.12 0.27 -0.51 4.01 3.93 3h4zC1 LYS 25 H 0.10 0.60 -0.07 -0.55 8.42 8.50 3h4zC1 LYS 25 HA 0.04 0.12 0.86 -0.75 4.32 4.59 3h4zC1 LYS 25 HB2 0.06 0.08 0.11 -0.04 1.87 2.08 3h4zC1 LYS 25 HB3 0.04 -0.07 0.13 -0.04 1.79 1.85 3h4zC1 LYS 25 HG2 0.02 -0.01 0.01 -0.04 1.46 1.45 3h4zC1 LYS 25 HG3 0.04 0.13 -0.02 -0.04 1.46 1.57 3h4zC1 LYS 25 HD2 0.04 -0.01 -0.03 -0.04 1.69 1.64 3h4zC1 LYS 25 HD3 0.03 -0.03 0.01 -0.04 1.68 1.65 3h4zC1 LYS 25 HE2 0.02 0.01 0.01 -0.04 2.99 2.99 3h4zC1 LYS 25 HE3 0.03 -0.00 -0.01 -0.04 2.99 2.97 3h4zC1 LYS 26 H 0.18 0.41 -0.20 -0.55 8.42 8.25 3h4zC1 LYS 26 HA 0.13 0.08 0.52 -0.75 4.32 4.29 3h4zC1 LYS 26 HB2 0.17 0.06 0.02 -0.04 1.87 2.08 3h4zC1 LYS 26 HB3 0.35 0.10 0.02 -0.04 1.79 2.21 3h4zC1 LYS 26 HG2 0.16 -0.01 -0.05 -0.04 1.46 1.52 3h4zC1 LYS 26 HG3 0.26 -0.01 -0.10 -0.04 1.46 1.57 3h4zC1 LYS 26 HD2 0.09 0.01 -0.02 -0.04 1.69 1.72 3h4zC1 LYS 26 HD3 0.11 -0.01 0.04 -0.04 1.68 1.78 3h4zC1 LYS 26 HE2 0.06 0.00 -0.03 -0.04 2.99 2.98 3h4zC1 LYS 26 HE3 0.09 0.02 -0.06 -0.04 2.99 3.00 3h4zC1 PHE 27 H 0.22 0.32 -0.26 -0.55 8.34 8.07 3h4zC1 PHE 27 HA -0.51 0.06 0.38 -0.75 4.62 3.79 3h4zC1 PHE 27 HB2 -0.27 0.04 0.08 -0.04 3.15 2.96 3h4zC1 PHE 27 HB3 -0.25 0.19 0.00 -0.04 3.06 2.96 3h4zC1 PHE 27 HD2 -0.91 0.08 -0.16 -0.04 7.28 6.24 3h4zC1 PHE 27 HE2 -0.07 -0.05 -0.13 -0.04 7.38 7.10 3h4zC1 PHE 27 HZ -0.04 -0.09 0.06 -0.04 7.32 7.21 3h4zC1 GLU 28 H 0.07 0.10 -0.71 -0.55 8.60 7.51 3h4zC1 GLU 28 HA -0.08 -0.10 0.64 -0.75 4.29 4.00 3h4zC1 GLU 28 HB2 0.03 0.12 0.15 -0.04 2.09 2.35 3h4zC1 GLU 28 HB3 0.02 0.18 0.13 -0.04 1.99 2.29 3h4zC1 GLU 28 HG2 -0.01 -0.03 -0.27 -0.04 2.34 2.00 3h4zC1 GLU 28 HG3 -0.01 -0.07 -0.57 -0.04 2.34 1.66 3h4zC1 LYS 29 H 0.04 0.43 -0.07 -0.55 8.42 8.27 3h4zC1 LYS 29 HA 0.00 0.08 0.47 -0.75 4.32 4.11 3h4zC1 LYS 29 HB2 0.03 0.03 0.14 -0.04 1.87 2.04 3h4zC1 LYS 29 HB3 0.05 0.02 0.13 -0.04 1.79 1.95 3h4zC1 LYS 29 HG2 0.02 0.01 0.21 -0.04 1.46 1.66 3h4zC1 LYS 29 HG3 0.02 -0.02 0.09 -0.04 1.46 1.51 3h4zC1 LYS 29 HD2 0.02 -0.03 0.03 -0.04 1.69 1.68 3h4zC1 LYS 29 HD3 0.03 -0.01 0.02 -0.04 1.68 1.68 3h4zC1 LYS 29 HE2 0.06 0.02 0.02 -0.04 2.99 3.05 3h4zC1 LYS 29 HE3 0.04 0.01 0.02 -0.04 2.99 3.02 3h4zC1 ASP 30 H -0.05 -0.13 -1.19 -0.55 8.40 6.48 3h4zC1 ASP 30 HA 0.01 0.17 0.84 -0.75 4.63 4.89 3h4zC1 ASP 30 HB2 0.09 0.00 0.04 -0.04 2.71 2.80 3h4zC1 ASP 30 HB3 0.09 -0.06 -0.05 -0.04 2.70 2.64 3h4zC1 THR 31 H -0.26 0.41 0.08 -0.55 8.28 7.96 3h4zC1 THR 31 HA -0.13 0.18 0.83 -0.75 4.39 4.51 3h4zC1 THR 31 HB -0.74 0.10 0.11 -0.04 4.32 3.74 3h4zC1 THR 31 HG23 -0.18 -0.01 0.06 -0.04 1.22 1.04 3h4zC1 GLY 32 H -0.12 0.22 0.02 -0.55 8.43 8.00 3h4zC1 GLY 32 HA2 -0.05 0.15 0.36 -0.51 4.01 3.97 3h4zC1 GLY 32 HA3 -0.05 0.02 0.44 -0.51 4.01 3.91 3h4zC1 ILE 33 H -0.14 0.10 -0.01 -0.55 8.25 7.64 3h4zC1 ILE 33 HA -0.02 0.23 0.99 -0.75 4.18 4.63 3h4zC1 ILE 33 HB 0.03 -0.07 -0.08 -0.04 1.89 1.73 3h4zC1 ILE 33 HG12 -0.02 0.10 -0.10 -0.04 1.49 1.44 3h4zC1 ILE 33 HG13 -0.11 0.08 -0.42 -0.04 1.21 0.72 3h4zC1 ILE 33 HG23 0.09 0.13 -0.22 -0.04 0.93 0.90 3h4zC1 ILE 33 HD13 0.03 -0.03 -0.07 -0.04 0.88 0.76 3h4zC1 LYS 34 H -0.00 0.22 0.17 -0.55 8.42 8.26 3h4zC1 LYS 34 HA -0.00 0.05 0.51 -0.75 4.32 4.13 3h4zC1 VAL 35 H -0.03 0.21 0.20 -0.55 8.24 8.07 3h4zC1 VAL 35 HA -0.13 0.11 1.06 -0.75 4.13 4.42 3h4zC1 VAL 35 HB -0.16 0.15 0.15 -0.04 2.12 2.22 3h4zC1 VAL 35 HG13 -0.51 -0.03 -0.09 -0.04 0.97 0.30 3h4zC1 VAL 35 HG23 -0.18 0.00 -0.17 -0.04 0.95 0.56 3h4zC1 THR 36 H -0.09 1.07 0.46 -0.55 8.28 9.17 3h4zC1 THR 36 HA -0.02 0.17 0.94 -0.75 4.39 4.72 3h4zC1 THR 36 HB 0.02 -0.04 0.04 -0.04 4.32 4.30 3h4zC1 THR 36 HG23 -0.01 0.01 -0.12 -0.04 1.22 1.05 3h4zC1 VAL 37 H 0.02 0.19 0.09 -0.55 8.24 7.99 3h4zC1 VAL 37 HA 0.07 0.33 1.01 -0.75 4.13 4.78 3h4zC1 VAL 37 HB 0.06 -0.03 0.11 -0.04 2.12 2.22 3h4zC1 VAL 37 HG13 0.07 0.01 -0.18 -0.04 0.97 0.83 3h4zC1 VAL 37 HG23 0.01 0.02 -0.34 -0.04 0.95 0.59 3h4zC1 GLU 38 H 0.26 0.53 0.27 -0.55 8.60 9.12 3h4zC1 GLU 38 HA -0.16 0.15 0.91 -0.75 4.29 4.44 3h4zC1 GLU 38 HB2 0.29 0.00 0.06 -0.04 2.09 2.41 3h4zC1 GLU 38 HB3 -0.20 -0.02 0.02 -0.04 1.99 1.75 3h4zC1 GLU 38 HG2 -0.02 0.05 -0.07 -0.04 2.34 2.26 3h4zC1 GLU 38 HG3 0.12 -0.08 -0.16 -0.04 2.34 2.18 3h4zC1 HIS 39 H -0.70 0.16 0.09 -0.55 8.41 7.41 3h4zC1 HIS 39 HA -0.18 0.28 1.10 -0.75 4.63 5.07 3h4zC1 HIS 39 HB2 -0.20 -0.13 0.14 -0.04 3.26 3.03 3h4zC1 HIS 39 HB3 -0.40 -0.00 -0.14 -0.04 3.20 2.62 3h4zC1 HIS 39 HD2 -1.20 0.06 -0.02 -0.04 6.97 5.77 3h4zC1 HIS 39 HE1 -0.12 0.00 0.06 -0.04 7.75 7.65 3h4zC1 PRO 40 HA -0.30 0.11 0.38 -0.51 4.44 4.13 3h4zC1 PRO 40 HB2 -0.54 -0.04 -0.01 -0.04 2.28 1.65 3h4zC1 PRO 40 HB3 -0.46 0.05 0.13 -0.04 2.02 1.70 3h4zC1 PRO 40 HG2 -1.74 0.06 -0.02 -0.04 2.03 0.29 3h4zC1 PRO 40 HG3 -0.72 0.06 -0.02 -0.04 2.03 1.30 3h4zC1 PRO 40 HD2 -0.62 0.07 0.03 -0.04 3.68 3.12 3h4zC1 PRO 40 HD3 -0.64 0.10 -0.66 -0.04 3.65 2.41 3h4zC1 ASP 41 H -0.20 0.24 0.17 -0.55 8.40 8.06 3h4zC1 ASP 41 HA -0.08 0.13 0.92 -0.75 4.63 4.85 3h4zC1 ASP 41 HB2 -0.09 0.04 0.10 -0.04 2.71 2.72 3h4zC1 ASP 41 HB3 -0.06 -0.01 0.04 -0.04 2.70 2.64 3h4zC1 LYS 42 H -0.08 0.18 0.15 -0.55 8.42 8.12 3h4zC1 LYS 42 HA -0.15 0.02 0.35 -0.75 4.32 3.78 3h4zC1 LEU 43 H -0.21 0.13 -0.49 -0.55 8.37 7.25 3h4zC1 LEU 43 HA -0.20 0.11 0.34 -0.75 4.35 3.85 3h4zC1 LEU 43 HB2 -0.05 0.06 -0.05 -0.04 1.64 1.56 3h4zC1 LEU 43 HB3 -0.29 0.05 -0.15 -0.04 1.64 1.21 3h4zC1 LEU 43 HG -0.14 -0.14 -0.12 -0.04 1.64 1.20 3h4zC1 LEU 43 HD13 -0.19 0.03 -0.26 -0.04 0.93 0.46 3h4zC1 LEU 43 HD23 0.08 0.01 -0.34 -0.04 0.89 0.61 3h4zC1 GLU 44 H -0.60 0.03 -0.37 -0.55 8.60 7.11 3h4zC1 GLU 44 HA -0.38 0.15 0.34 -0.75 4.29 3.65 3h4zC1 GLU 44 HB2 -0.86 0.08 0.06 -0.04 2.09 1.32 3h4zC1 GLU 44 HB3 -2.13 -0.05 0.03 -0.04 1.99 -0.20 3h4zC1 GLU 44 HG2 -0.31 0.10 -0.32 -0.04 2.34 1.77 3h4zC1 GLU 44 HG3 -0.51 0.01 -0.06 -0.04 2.34 1.74 3h4zC1 GLU 45 H -0.15 0.32 -0.52 -0.55 8.60 7.71 3h4zC1 GLU 45 HA -0.01 0.23 0.83 -0.75 4.29 4.58 3h4zC1 GLU 45 HB2 -0.05 0.14 0.10 -0.04 2.09 2.23 3h4zC1 GLU 45 HB3 0.01 -0.04 -0.01 -0.04 1.99 1.91 3h4zC1 GLU 45 HG2 -0.02 0.11 -0.04 -0.04 2.34 2.35 3h4zC1 GLU 45 HG3 -0.08 -0.09 -0.15 -0.04 2.34 1.98 3h4zC1 LYS 46 H -0.05 0.19 0.11 -0.55 8.42 8.12 3h4zC1 LYS 46 HA 0.02 0.09 0.47 -0.75 4.32 4.15 3h4zC1 LYS 46 HB2 -0.09 -0.06 0.14 -0.04 1.87 1.83 3h4zC1 LYS 46 HB3 -0.03 0.01 0.01 -0.04 1.79 1.74 3h4zC1 LYS 46 HG2 -0.07 -0.00 0.00 -0.04 1.46 1.35 3h4zC1 LYS 46 HG3 -0.10 0.14 -0.01 -0.04 1.46 1.44 3h4zC1 LYS 46 HD2 -0.27 -0.06 -0.05 -0.04 1.69 1.27 3h4zC1 LYS 46 HD3 -0.22 -0.01 -0.00 -0.04 1.68 1.41 3h4zC1 LYS 46 HE2 -0.10 -0.00 -0.01 -0.04 2.99 2.84 3h4zC1 LYS 46 HE3 -0.12 0.11 0.01 -0.04 2.99 2.94 3h4zC1 PHE 47 H 0.20 0.57 -0.00 -0.55 8.34 8.56 3h4zC1 PHE 47 HA 0.21 0.01 0.36 -0.75 4.62 4.44 3h4zC1 PHE 47 HB2 0.09 -0.02 0.07 -0.04 3.15 3.25 3h4zC1 PHE 47 HB3 -0.28 0.06 0.03 -0.04 3.06 2.83 3h4zC1 PHE 47 HD2 -0.82 -0.00 -0.12 -0.04 7.28 6.30 3h4zC1 PHE 47 HE2 -0.47 0.05 -0.19 -0.04 7.38 6.73 3h4zC1 PHE 47 HZ -0.19 0.05 -0.18 -0.04 7.32 6.95 3h4zC1 PRO 48 HA -0.21 0.07 0.27 -0.51 4.44 4.06 3h4zC1 PRO 48 HB2 0.08 0.05 -0.02 -0.04 2.28 2.34 3h4zC1 PRO 48 HB3 0.35 -0.01 0.02 -0.04 2.02 2.34 3h4zC1 PRO 48 HG2 0.07 0.29 -0.16 -0.04 2.03 2.19 3h4zC1 PRO 48 HG3 0.13 0.07 0.03 -0.04 2.03 2.21 3h4zC1 PRO 48 HD2 0.10 -0.19 -0.85 -0.04 3.68 2.71 3h4zC1 PRO 48 HD3 0.17 0.14 -0.12 -0.04 3.65 3.80 3h4zC1 GLN 49 H -0.02 0.26 -1.10 -0.55 8.47 7.06 3h4zC1 GLN 49 HA 0.00 0.18 0.87 -0.75 4.36 4.66 3h4zC1 GLN 49 HB2 0.01 0.11 0.19 -0.04 2.15 2.42 3h4zC1 GLN 49 HB3 -0.04 -0.03 -0.02 -0.04 2.02 1.89 3h4zC1 GLN 49 HG2 0.03 0.01 -0.09 -0.04 2.40 2.30 3h4zC1 GLN 49 HG3 0.23 0.20 -0.07 -0.04 2.39 2.71 3h4zC1 GLN 49 HE21 0.04 -0.11 -0.06 -0.04 6.97 6.80 3h4zC1 GLN 49 HE22 0.17 0.21 -0.08 -0.04 7.69 7.95 3h4zC1 VAL 50 H -0.02 0.58 0.23 -0.55 8.24 8.48 3h4zC1 VAL 50 HA -0.04 0.03 0.32 -0.75 4.13 3.69 3h4zC1 VAL 50 HB 0.02 -0.06 -0.13 -0.04 2.12 1.91 3h4zC1 VAL 50 HG13 0.13 0.01 0.02 -0.04 0.97 1.09 3h4zC1 VAL 50 HG23 0.05 0.07 -0.01 -0.04 0.95 1.01 3h4zC1 ALA 51 H -0.33 0.43 -0.34 -0.55 8.40 7.62 3h4zC1 ALA 51 HA -0.27 0.44 0.75 -0.75 4.34 4.50 3h4zC1 ALA 51 HB3 -0.71 -0.03 0.01 -0.04 1.41 0.64 3h4zC1 ALA 52 H -0.16 0.15 -0.35 -0.55 8.40 7.49 3h4zC1 ALA 52 HA -0.07 0.09 0.36 -0.75 4.34 3.96 3h4zC1 ALA 52 HB3 -0.04 0.06 0.19 -0.04 1.41 1.58 3h4zC1 THR 53 H -0.10 0.04 -1.00 -0.55 8.28 6.67 3h4zC1 THR 53 HA -0.05 0.18 0.88 -0.75 4.39 4.65 3h4zC1 THR 53 HB -0.05 -0.04 0.07 -0.04 4.32 4.26 3h4zC1 THR 53 HG23 -0.05 -0.00 -0.12 -0.04 1.22 1.00 3h4zC1 GLY 54 H -0.10 0.49 0.00 -0.55 8.43 8.28 3h4zC1 GLY 54 HA2 -0.08 0.01 0.36 -0.51 4.01 3.79 3h4zC1 GLY 54 HA3 -0.06 0.10 0.80 -0.51 4.01 4.34 3h4zC1 ASP 55 H -0.11 0.29 0.29 -0.55 8.40 8.33 3h4zC1 ASP 55 HA -0.09 0.25 0.85 -0.75 4.63 4.89 3h4zC1 ASP 55 HB2 -0.05 -0.02 -0.11 -0.04 2.71 2.49 3h4zC1 ASP 55 HB3 -0.06 0.01 0.07 -0.04 2.70 2.68 3h4zC1 GLY 56 H -0.10 0.09 0.10 -0.55 8.43 7.98 3h4zC1 GLY 56 HA2 -0.23 -0.10 0.22 -0.51 4.01 3.39 3h4zC1 GLY 56 HA3 -0.36 0.20 0.76 -0.51 4.01 4.09 3h4zC1 PRO 57 HA -0.45 0.06 0.58 -0.51 4.44 4.13 3h4zC1 PRO 57 HB2 -0.60 0.21 -0.13 -0.04 2.28 1.72 3h4zC1 PRO 57 HB3 -1.86 -0.07 -0.16 -0.04 2.02 -0.11 3h4zC1 PRO 57 HG2 -0.27 0.04 -0.24 -0.04 2.03 1.53 3h4zC1 PRO 57 HG3 -1.17 -0.06 -0.05 -0.04 2.03 0.72 3h4zC1 PRO 57 HD2 -0.62 0.14 0.13 -0.04 3.68 3.29 3h4zC1 PRO 57 HD3 -2.82 0.04 0.06 -0.04 3.65 0.88 3h4zC1 ASP 58 H -0.21 0.44 0.45 -0.55 8.40 8.53 3h4zC1 ASP 58 HA -0.08 0.11 0.62 -0.75 4.63 4.52 3h4zC1 ASP 58 HB2 -0.12 -0.01 0.26 -0.04 2.71 2.81 3h4zC1 ASP 58 HB3 -0.08 -0.04 0.04 -0.04 2.70 2.58 3h4zC1 ILE 59 H -0.08 0.53 0.35 -0.55 8.25 8.50 3h4zC1 ILE 59 HA 0.02 0.46 1.07 -0.75 4.18 4.98 3h4zC1 ILE 59 HB 0.14 -0.08 0.07 -0.04 1.89 1.98 3h4zC1 ILE 59 HG12 0.02 0.12 -0.09 -0.04 1.49 1.49 3h4zC1 ILE 59 HG13 -0.03 -0.11 -0.20 -0.04 1.21 0.83 3h4zC1 ILE 59 HG23 0.19 0.05 -0.12 -0.04 0.93 1.01 3h4zC1 ILE 59 HD13 0.11 -0.02 -0.08 -0.04 0.88 0.85 3h4zC1 ILE 60 H 0.01 0.32 0.15 -0.55 8.25 8.18 3h4zC1 ILE 60 HA 0.09 0.12 1.07 -0.75 4.18 4.71 3h4zC1 ILE 60 HB -0.77 0.06 -0.14 -0.04 1.89 0.99 3h4zC1 ILE 60 HG12 -1.26 -0.01 -0.17 -0.04 1.49 0.00 3h4zC1 ILE 60 HG13 -0.28 -0.02 -0.50 -0.04 1.21 0.36 3h4zC1 ILE 60 HG23 -0.58 -0.00 -0.06 -0.04 0.93 0.25 3h4zC1 ILE 60 HD13 0.06 -0.00 -0.07 -0.04 0.88 0.83 3h4zC1 PHE 61 H 0.46 0.83 0.36 -0.55 8.34 9.44 3h4zC1 PHE 61 HA 0.28 0.40 1.09 -0.75 4.62 5.64 3h4zC1 PHE 61 HB2 0.18 0.14 0.30 -0.04 3.15 3.72 3h4zC1 PHE 61 HB3 0.15 -0.13 -0.03 -0.04 3.06 3.01 3h4zC1 PHE 61 HD2 0.10 -0.04 -0.22 -0.04 7.28 7.08 3h4zC1 PHE 61 HE2 0.09 -0.00 -0.17 -0.04 7.38 7.25 3h4zC1 PHE 61 HZ 0.06 0.00 -0.14 -0.04 7.32 7.21 3h4zC1 TRP 62 H 0.44 0.65 0.36 -0.55 7.97 8.87 3h4zC1 TRP 62 HA 0.09 -0.05 0.39 -0.75 4.62 4.30 3h4zC1 TRP 62 HB2 0.02 0.20 -0.26 -0.04 3.23 3.15 3h4zC1 TRP 62 HB3 -0.00 0.08 -0.21 -0.04 3.23 3.07 3h4zC1 TRP 62 HD1 -0.03 0.23 -0.03 -0.04 7.22 7.35 3h4zC1 TRP 62 HE1 -0.15 0.03 -0.02 -0.04 10.20 10.02 3h4zC1 TRP 62 HE3 -0.02 0.20 0.10 -0.04 7.59 7.82 3h4zC1 TRP 62 HZ2 -0.22 0.03 -0.00 -0.04 7.44 7.21 3h4zC1 TRP 62 HZ3 -0.12 -0.05 0.02 -0.04 7.13 6.94 3h4zC1 TRP 62 HH2 -0.17 -0.01 0.02 -0.04 7.19 6.98 3h4zC1 ALA 63 H -1.40 0.09 0.11 -0.55 8.40 6.65 3h4zC1 ALA 63 HA -0.07 0.09 0.26 -0.75 4.34 3.87 3h4zC1 ALA 63 HB3 -0.38 0.00 0.07 -0.04 1.41 1.07 3h4zC1 HIS 64 H 0.27 0.28 0.30 -0.55 8.41 8.71 3h4zC1 HIS 64 HA 0.15 0.07 0.38 -0.75 4.63 4.48 3h4zC1 HIS 64 HB2 -0.01 0.23 -0.01 -0.04 3.26 3.43 3h4zC1 HIS 64 HB3 -0.07 0.08 0.12 -0.04 3.20 3.28 3h4zC1 HIS 64 HD2 0.04 0.09 -0.18 -0.04 6.97 6.87 3h4zC1 HIS 64 HE1 0.07 0.18 0.27 -0.04 7.75 8.23 3h4zC1 ASP 65 H -0.65 -0.01 -0.26 -0.55 8.40 6.93 3h4zC1 ASP 65 HA -0.16 0.18 0.29 -0.75 4.63 4.19 3h4zC1 ASP 65 HB2 -0.08 0.09 0.09 -0.04 2.71 2.76 3h4zC1 ASP 65 HB3 -0.34 -0.00 0.05 -0.04 2.70 2.36 3h4zC1 ARG 66 H 0.20 0.31 -0.57 -0.55 8.46 7.85 3h4zC1 ARG 66 HA -0.16 0.22 0.92 -0.75 4.34 4.57 3h4zC1 ARG 66 HB2 0.09 0.06 -0.02 -0.04 1.90 1.98 3h4zC1 ARG 66 HB3 -0.47 0.03 0.05 -0.04 1.80 1.38 3h4zC1 ARG 66 HG2 0.01 0.05 -0.10 -0.04 1.67 1.59 3h4zC1 ARG 66 HG3 0.24 -0.08 -0.21 -0.04 1.67 1.58 3h4zC1 ARG 66 HD2 -0.15 -0.08 -0.04 -0.04 3.22 2.90 3h4zC1 ARG 66 HD3 -0.34 0.09 -0.01 -0.04 3.22 2.92 3h4zC1 PHE 67 H 0.33 0.56 0.02 -0.55 8.34 8.69 3h4zC1 PHE 67 HA -0.11 0.05 0.51 -0.75 4.62 4.32 3h4zC1 PHE 67 HB2 0.05 0.15 0.10 -0.04 3.15 3.41 3h4zC1 PHE 67 HB3 0.10 0.04 -0.04 -0.04 3.06 3.11 3h4zC1 PHE 67 HD2 0.13 0.05 -0.00 -0.04 7.28 7.41 3h4zC1 PHE 67 HE2 0.09 0.02 -0.24 -0.04 7.38 7.21 3h4zC1 PHE 67 HZ 0.04 0.16 0.00 -0.04 7.32 7.48 3h4zC1 GLY 68 H -0.03 0.30 -0.10 -0.55 8.43 8.05 3h4zC1 GLY 68 HA2 -0.35 -0.00 0.36 -0.51 4.01 3.51 3h4zC1 GLY 68 HA3 -0.43 0.54 0.36 -0.51 4.01 3.96 3h4zC1 GLY 69 H -0.31 0.17 -0.65 -0.55 8.43 7.10 3h4zC1 GLY 69 HA2 -0.16 0.02 0.49 -0.51 4.01 3.84 3h4zC1 GLY 69 HA3 -0.25 0.08 0.26 -0.51 4.01 3.59 3h4zC1 TYR 70 H -0.39 0.25 -0.10 -0.55 8.29 7.50 3h4zC1 TYR 70 HA 0.04 0.09 0.39 -0.75 4.56 4.32 3h4zC1 TYR 70 HB2 0.09 0.10 0.06 -0.04 3.06 3.27 3h4zC1 TYR 70 HB3 0.20 -0.05 -0.06 -0.04 2.98 3.03 3h4zC1 TYR 70 HD2 -0.22 -0.01 -0.06 -0.04 7.15 6.82 3h4zC1 TYR 70 HE2 -0.47 -0.01 -0.11 -0.04 6.85 6.22 3h4zC1 ALA 71 H 0.10 0.57 -0.21 -0.55 8.40 8.32 3h4zC1 ALA 71 HA 0.19 -0.03 0.44 -0.75 4.34 4.19 3h4zC1 ALA 71 HB3 0.22 0.04 0.06 -0.04 1.41 1.69 3h4zC1 GLN 72 H 0.07 0.46 -0.05 -0.55 8.47 8.41 3h4zC1 GLN 72 HA 0.21 0.04 0.42 -0.75 4.36 4.28 3h4zC1 GLN 72 HB2 0.22 0.00 0.19 -0.04 2.15 2.52 3h4zC1 GLN 72 HB3 0.07 0.07 0.11 -0.04 2.02 2.22 3h4zC1 GLN 72 HG2 0.11 -0.06 0.04 -0.04 2.40 2.45 3h4zC1 GLN 72 HG3 0.09 0.04 -0.00 -0.04 2.39 2.47 3h4zC1 GLN 72 HE21 0.06 -0.02 0.06 -0.04 6.97 7.03 3h4zC1 GLN 72 HE22 0.07 0.03 0.10 -0.04 7.69 7.85 3h4zC1 SER 73 H 0.09 0.25 -0.51 -0.55 8.46 7.75 3h4zC1 SER 73 HA 0.05 0.07 0.53 -0.75 4.49 4.39 3h4zC1 SER 73 HB2 0.10 0.02 0.06 -0.04 3.95 4.09 3h4zC1 SER 73 HB3 0.05 -0.01 0.13 -0.04 3.93 4.06 3h4zC1 GLY 74 H 0.10 0.47 -0.66 -0.55 8.43 7.80 3h4zC1 GLY 74 HA2 0.08 0.04 0.38 -0.51 4.01 4.01 3h4zC1 GLY 74 HA3 0.05 -0.01 0.37 -0.51 4.01 3.91 3h4zC1 LEU 75 H 0.12 0.34 0.05 -0.55 8.37 8.34 3h4zC1 LEU 75 HA 0.00 0.25 0.87 -0.75 4.35 4.71 3h4zC1 LEU 75 HB2 0.12 -0.08 -0.06 -0.04 1.64 1.58 3h4zC1 LEU 75 HB3 -0.13 -0.10 -0.02 -0.04 1.64 1.34 3h4zC1 LEU 75 HG 0.05 0.09 -0.44 -0.04 1.64 1.30 3h4zC1 LEU 75 HD13 0.00 -0.05 -0.01 -0.04 0.93 0.83 3h4zC1 LEU 75 HD23 -0.06 0.03 -0.24 -0.04 0.89 0.58 3h4zC1 LEU 76 H 0.15 0.11 0.04 -0.55 8.37 8.12 3h4zC1 LEU 76 HA 0.17 0.21 0.97 -0.75 4.35 4.94 3h4zC1 LEU 76 HB2 0.23 -0.04 -0.01 -0.04 1.64 1.78 3h4zC1 LEU 76 HB3 0.23 0.17 0.03 -0.04 1.64 2.02 3h4zC1 LEU 76 HG 0.34 -0.09 -0.28 -0.04 1.64 1.58 3h4zC1 LEU 76 HD13 0.49 0.04 -0.01 -0.04 0.93 1.41 3h4zC1 LEU 76 HD23 0.23 0.01 -0.08 -0.04 0.89 1.01 3h4zC1 ALA 77 H 0.12 0.73 0.29 -0.55 8.40 8.99 3h4zC1 ALA 77 HA 0.08 0.10 0.64 -0.75 4.34 4.41 3h4zC1 ALA 77 HB3 0.07 -0.01 -0.06 -0.04 1.41 1.37 3h4zC1 GLU 78 H 0.07 0.13 0.14 -0.55 8.60 8.39 3h4zC1 GLU 78 HA 0.09 0.20 0.62 -0.75 4.29 4.44 3h4zC1 GLU 78 HB2 0.06 0.01 0.12 -0.04 2.09 2.23 3h4zC1 GLU 78 HB3 0.04 -0.08 0.15 -0.04 1.99 2.06 3h4zC1 GLU 78 HG2 0.03 0.11 -0.12 -0.04 2.34 2.33 3h4zC1 GLU 78 HG3 0.05 0.06 0.01 -0.04 2.34 2.41 3h4zC1 ILE 79 H 0.08 0.30 0.16 -0.55 8.25 8.24 3h4zC1 ILE 79 HA 0.12 0.05 0.49 -0.75 4.18 4.09 3h4zC1 ILE 79 HB 0.08 -0.07 -0.08 -0.04 1.89 1.78 3h4zC1 ILE 79 HG12 0.01 0.01 -0.21 -0.04 1.49 1.26 3h4zC1 ILE 79 HG13 -0.08 0.01 -0.19 -0.04 1.21 0.91 3h4zC1 ILE 79 HG23 0.26 0.02 -0.16 -0.04 0.93 1.01 3h4zC1 ILE 79 HD13 -0.33 -0.04 -0.22 -0.04 0.88 0.26 3h4zC1 THR 80 H 0.08 0.10 0.01 -0.55 8.28 7.92 3h4zC1 THR 80 HA -0.05 0.25 0.91 -0.75 4.39 4.75 3h4zC1 THR 80 HB -0.01 -0.03 0.04 -0.04 4.32 4.28 3h4zC1 THR 80 HG23 0.00 0.04 -0.23 -0.04 1.22 0.99 3h4zC1 PRO 81 HA 0.04 0.05 0.64 -0.51 4.44 4.66 3h4zC1 PRO 81 HB2 0.22 0.01 -0.07 -0.04 2.28 2.40 3h4zC1 PRO 81 HB3 0.14 0.02 -0.01 -0.04 2.02 2.13 3h4zC1 PRO 81 HG2 -0.43 0.01 0.00 -0.04 2.03 1.58 3h4zC1 PRO 81 HG3 -0.57 0.07 -0.04 -0.04 2.03 1.44 3h4zC1 PRO 81 HD2 -0.19 0.20 0.05 -0.04 3.68 3.70 3h4zC1 PRO 81 HD3 -0.16 0.07 -0.29 -0.04 3.65 3.23 3h4zC1 ALA 82 H 0.03 0.12 0.17 -0.55 8.40 8.18 3h4zC1 ALA 82 HA -0.02 0.13 0.44 -0.75 4.34 4.13 3h4zC1 ALA 82 HB3 0.03 0.01 0.15 -0.04 1.41 1.55 3h4zC1 ALA 83 H -0.05 0.20 0.19 -0.55 8.40 8.20 3h4zC1 ALA 83 HA -0.14 0.12 0.34 -0.75 4.34 3.91 3h4zC1 ALA 83 HB3 -0.06 0.03 0.09 -0.04 1.41 1.43 3h4zC1 ALA 84 H 0.01 0.02 -0.42 -0.55 8.40 7.46 3h4zC1 ALA 84 HA 0.01 0.09 0.36 -0.75 4.34 4.05 3h4zC1 ALA 84 HB3 0.05 0.01 0.03 -0.04 1.41 1.46 3h4zC1 PHE 85 H 0.18 0.24 -0.13 -0.55 8.34 8.07 3h4zC1 PHE 85 HA 0.05 0.07 0.49 -0.75 4.62 4.48 3h4zC1 PHE 85 HB2 0.05 -0.05 0.12 -0.04 3.15 3.23 3h4zC1 PHE 85 HB3 0.03 0.06 0.06 -0.04 3.06 3.17 3h4zC1 PHE 85 HD2 0.16 -0.01 -0.03 -0.04 7.28 7.36 3h4zC1 PHE 85 HE2 0.30 0.10 0.03 -0.04 7.38 7.77 3h4zC1 PHE 85 HZ 0.16 0.01 0.02 -0.04 7.32 7.47 3h4zC1 GLN 86 H -0.04 0.38 -0.23 -0.55 8.47 8.04 3h4zC1 GLN 86 HA -0.06 -0.00 0.30 -0.75 4.36 3.85 3h4zC1 GLN 86 HB2 -0.30 0.09 0.06 -0.04 2.15 1.96 3h4zC1 GLN 86 HB3 -0.65 -0.01 -0.01 -0.04 2.02 1.30 3h4zC1 GLN 86 HG2 -1.74 -0.04 -0.04 -0.04 2.40 0.55 3h4zC1 GLN 86 HG3 -0.48 0.07 -0.21 -0.04 2.39 1.73 3h4zC1 GLN 86 HE21 -0.32 -0.03 -0.02 -0.04 6.97 6.56 3h4zC1 GLN 86 HE22 -0.34 0.25 -0.07 -0.04 7.69 7.50 3h4zC1 ASP 87 H -0.04 0.29 -0.61 -0.55 8.40 7.48 3h4zC1 ASP 87 HA -0.00 0.08 0.50 -0.75 4.63 4.46 3h4zC1 ASP 87 HB2 -0.02 0.17 0.11 -0.04 2.71 2.93 3h4zC1 ASP 87 HB3 -0.02 -0.08 0.04 -0.04 2.70 2.61 3h4zC1 LYS 88 H -0.11 0.35 -0.12 -0.55 8.42 7.98 3h4zC1 LYS 88 HA -0.11 -0.06 0.41 -0.75 4.32 3.81 3h4zC1 LYS 88 HB2 -0.50 0.23 0.18 -0.04 1.87 1.73 3h4zC1 LYS 88 HB3 -0.19 -0.17 0.09 -0.04 1.79 1.49 3h4zC1 LYS 88 HG2 -0.05 0.12 0.23 -0.04 1.46 1.72 3h4zC1 LYS 88 HG3 0.01 -0.01 0.12 -0.04 1.46 1.54 3h4zC1 LYS 88 HD2 -0.02 -0.11 0.09 -0.04 1.69 1.61 3h4zC1 LYS 88 HD3 -0.03 0.00 0.04 -0.04 1.68 1.65 3h4zC1 LYS 88 HE2 0.03 -0.04 0.02 -0.04 2.99 2.96 3h4zC1 LYS 88 HE3 0.06 0.03 -0.00 -0.04 2.99 3.03 3h4zC1 LEU 89 H -0.02 0.27 -0.49 -0.55 8.37 7.58 3h4zC1 LEU 89 HA -0.33 0.16 0.88 -0.75 4.35 4.31 3h4zC1 LEU 89 HB2 -0.09 0.07 -0.04 -0.04 1.64 1.53 3h4zC1 LEU 89 HB3 -0.53 -0.05 -0.06 -0.04 1.64 0.96 3h4zC1 LEU 89 HG -0.30 -0.12 -0.40 -0.04 1.64 0.77 3h4zC1 LEU 89 HD13 -0.41 -0.03 -0.24 -0.04 0.93 0.21 3h4zC1 LEU 89 HD23 -0.69 -0.00 -0.08 -0.04 0.89 0.09 3h4zC1 TYR 90 H -0.28 0.32 0.21 -0.55 8.29 7.99 3h4zC1 TYR 90 HA 0.03 0.18 0.50 -0.75 4.56 4.52 3h4zC1 TYR 90 HB2 -0.42 -0.08 0.12 -0.04 3.06 2.63 3h4zC1 TYR 90 HB3 0.12 -0.08 0.07 -0.04 2.98 3.04 3h4zC1 TYR 90 HD2 0.03 -0.00 0.05 -0.04 7.15 7.19 3h4zC1 TYR 90 HE2 0.06 0.04 -0.06 -0.04 6.85 6.84 3h4zC1 PRO 91 HA 0.30 0.13 0.45 -0.51 4.44 4.82 3h4zC1 PRO 91 HB2 0.18 -0.02 0.10 -0.04 2.28 2.50 3h4zC1 PRO 91 HB3 0.14 0.05 0.08 -0.04 2.02 2.25 3h4zC1 PRO 91 HG2 0.14 0.04 0.11 -0.04 2.03 2.28 3h4zC1 PRO 91 HG3 0.14 0.13 0.12 -0.04 2.03 2.37 3h4zC1 PRO 91 HD2 0.30 0.05 0.24 -0.04 3.68 4.23 3h4zC1 PRO 91 HD3 0.22 0.27 0.29 -0.04 3.65 4.39 3h4zC1 PHE 92 H 0.32 0.18 -0.10 -0.55 8.34 8.19 3h4zC1 PHE 92 HA 0.04 0.07 0.34 -0.75 4.62 4.31 3h4zC1 PHE 92 HB2 -0.01 0.05 0.05 -0.04 3.15 3.20 3h4zC1 PHE 92 HB3 0.01 0.02 0.07 -0.04 3.06 3.12 3h4zC1 PHE 92 HD2 -0.04 -0.01 -0.15 -0.04 7.28 7.03 3h4zC1 PHE 92 HE2 -0.21 0.01 -0.10 -0.04 7.38 7.04 3h4zC1 PHE 92 HZ -0.07 0.04 -0.10 -0.04 7.32 7.15 3h4zC1 THR 93 H -0.68 0.27 -0.59 -0.55 8.28 6.73 3h4zC1 THR 93 HA -0.56 0.06 0.43 -0.75 4.39 3.57 3h4zC1 THR 93 HB -0.59 -0.09 -0.06 -0.04 4.32 3.54 3h4zC1 THR 93 HG23 -0.93 -0.03 -0.05 -0.04 1.22 0.16 3h4zC1 TRP 94 H -0.14 0.37 -0.09 -0.55 7.97 7.57 3h4zC1 TRP 94 HA -0.12 0.04 0.40 -0.75 4.62 4.18 3h4zC1 TRP 94 HB2 -0.07 0.14 0.14 -0.04 3.23 3.39 3h4zC1 TRP 94 HB3 -0.07 -0.03 -0.03 -0.04 3.23 3.05 3h4zC1 TRP 94 HD1 -0.10 0.02 -0.17 -0.04 7.22 6.93 3h4zC1 TRP 94 HE1 -0.19 0.30 0.05 -0.04 10.20 10.31 3h4zC1 TRP 94 HE3 -0.14 -0.01 0.05 -0.04 7.59 7.45 3h4zC1 TRP 94 HZ2 -0.29 0.02 -0.13 -0.04 7.44 7.00 3h4zC1 TRP 94 HZ3 -0.35 0.04 0.02 -0.04 7.13 6.80 3h4zC1 TRP 94 HH2 -0.03 -0.05 -0.06 -0.04 7.19 7.01 3h4zC1 ASP 95 H 0.11 0.43 -0.21 -0.55 8.40 8.18 3h4zC1 ASP 95 HA 0.11 0.01 0.29 -0.75 4.63 4.29 3h4zC1 ASP 95 HB2 0.09 0.14 0.02 -0.04 2.71 2.92 3h4zC1 ASP 95 HB3 0.09 -0.03 -0.00 -0.04 2.70 2.72 3h4zC1 ALA 96 H -0.05 0.25 -0.64 -0.55 8.40 7.41 3h4zC1 ALA 96 HA -0.04 0.03 0.36 -0.75 4.34 3.93 3h4zC1 ALA 96 HB3 -0.36 0.06 0.09 -0.04 1.41 1.15 3h4zC1 VAL 97 H -0.02 0.36 -0.28 -0.55 8.24 7.76 3h4zC1 VAL 97 HA 0.01 0.13 0.77 -0.75 4.13 4.29 3h4zC1 VAL 97 HB -0.05 -0.16 0.15 -0.04 2.12 2.02 3h4zC1 VAL 97 HG13 -0.22 -0.02 -0.25 -0.04 0.97 0.43 3h4zC1 VAL 97 HG23 0.06 0.05 0.11 -0.04 0.95 1.13 3h4zC1 ARG 98 H 0.11 0.43 -0.48 -0.55 8.46 7.97 3h4zC1 ARG 98 HA 0.12 0.28 0.96 -0.75 4.34 4.94 3h4zC1 ARG 98 HB2 0.11 0.07 -0.19 -0.04 1.90 1.85 3h4zC1 ARG 98 HB3 0.10 0.06 0.05 -0.04 1.80 1.98 3h4zC1 ARG 98 HG2 0.07 -0.17 -0.37 -0.04 1.67 1.15 3h4zC1 ARG 98 HG3 0.06 -0.03 -0.48 -0.04 1.67 1.18 3h4zC1 ARG 98 HD2 0.05 -0.00 -0.11 -0.04 3.22 3.12 3h4zC1 ARG 98 HD3 0.02 -0.04 -0.20 -0.04 3.22 2.96 3h4zC1 TYR 99 H 0.19 0.72 0.17 -0.55 8.29 8.82 3h4zC1 TYR 99 HA 0.07 0.09 0.89 -0.75 4.56 4.85 3h4zC1 TYR 99 HB2 0.09 -0.01 -0.14 -0.04 3.06 2.96 3h4zC1 TYR 99 HB3 0.08 0.06 0.07 -0.04 2.98 3.15 3h4zC1 TYR 99 HD2 0.07 0.00 0.00 -0.04 7.15 7.18 3h4zC1 TYR 99 HE2 0.04 -0.04 0.03 -0.04 6.85 6.85 3h4zC1 ASN 100 H -0.21 0.14 0.12 -0.55 8.53 8.04 3h4zC1 ASN 100 HA -0.20 0.03 0.34 -0.75 4.76 4.17 3h4zC1 ASN 100 HB2 -0.24 0.26 0.08 -0.04 2.88 2.95 3h4zC1 ASN 100 HB3 -0.17 0.02 0.22 -0.04 2.79 2.81 3h4zC1 ASN 100 HD21 -0.38 -0.00 0.03 -0.04 7.03 6.65 3h4zC1 ASN 100 HD22 -0.26 0.01 0.08 -0.04 7.74 7.52 3h4zC1 GLY 101 H -0.02 0.05 -0.14 -0.55 8.43 7.77 3h4zC1 GLY 101 HA2 0.00 -0.01 0.20 -0.51 4.01 3.69 3h4zC1 GLY 101 HA3 -0.02 0.06 0.31 -0.51 4.01 3.85 3h4zC1 LYS 102 H 0.03 0.07 -0.53 -0.55 8.42 7.44 3h4zC1 LYS 102 HA 0.01 0.09 0.71 -0.75 4.32 4.38 3h4zC1 LYS 102 HB2 0.04 0.10 -0.03 -0.04 1.87 1.94 3h4zC1 LYS 102 HB3 0.04 0.02 -0.01 -0.04 1.79 1.79 3h4zC1 LYS 102 HG2 0.00 0.00 0.02 -0.04 1.46 1.44 3h4zC1 LYS 102 HG3 -0.01 0.17 -0.55 -0.04 1.46 1.03 3h4zC1 LYS 102 HD2 0.01 0.01 -0.02 -0.04 1.69 1.66 3h4zC1 LYS 102 HD3 0.02 -0.05 -0.01 -0.04 1.68 1.61 3h4zC1 LYS 102 HE2 -0.01 0.04 0.01 -0.04 2.99 2.98 3h4zC1 LYS 102 HE3 0.00 -0.05 0.01 -0.04 2.99 2.91 3h4zC1 LEU 103 H 0.01 0.17 0.15 -0.55 8.37 8.15 3h4zC1 LEU 103 HA 0.09 0.24 0.68 -0.75 4.35 4.60 3h4zC1 LEU 103 HB2 -0.01 0.16 0.21 -0.04 1.64 1.95 3h4zC1 LEU 103 HB3 0.08 0.01 0.12 -0.04 1.64 1.80 3h4zC1 LEU 103 HG -0.07 -0.03 0.06 -0.04 1.64 1.56 3h4zC1 LEU 103 HD13 -0.31 0.00 0.00 -0.04 0.93 0.58 3h4zC1 LEU 103 HD23 0.13 -0.01 -0.11 -0.04 0.89 0.85 3h4zC1 ILE 104 H 0.09 0.73 0.42 -0.55 8.25 8.95 3h4zC1 ILE 104 HA 0.12 0.22 1.01 -0.75 4.18 4.77 3h4zC1 ILE 104 HB 0.21 -0.06 0.10 -0.04 1.89 2.09 3h4zC1 ILE 104 HG12 0.14 0.18 -0.11 -0.04 1.49 1.66 3h4zC1 ILE 104 HG13 0.13 -0.06 -0.26 -0.04 1.21 0.98 3h4zC1 ILE 104 HG23 0.18 0.05 -0.18 -0.04 0.93 0.94 3h4zC1 ILE 104 HD13 0.22 -0.01 -0.24 -0.04 0.88 0.81 3h4zC1 ALA 105 H 0.04 0.26 0.15 -0.55 8.40 8.31 3h4zC1 ALA 105 HA 0.13 0.09 0.45 -0.75 4.34 4.26 3h4zC1 ALA 105 HB3 -0.30 0.02 -0.19 -0.04 1.41 0.90 3h4zC1 TYR 106 H 0.16 0.77 0.33 -0.55 8.29 9.00 3h4zC1 TYR 106 HA -0.06 0.23 0.88 -0.75 4.56 4.85 3h4zC1 TYR 106 HB2 -0.08 -0.05 0.17 -0.04 3.06 3.05 3h4zC1 TYR 106 HB3 -0.02 0.07 -0.05 -0.04 2.98 2.93 3h4zC1 TYR 106 HD2 0.19 0.05 -0.08 -0.04 7.15 7.27 3h4zC1 TYR 106 HE2 0.07 -0.00 -0.09 -0.04 6.85 6.79 3h4zC1 PRO 107 HA -0.26 0.07 0.47 -0.51 4.44 4.21 3h4zC1 PRO 107 HB2 -0.47 -0.06 -0.14 -0.04 2.28 1.57 3h4zC1 PRO 107 HB3 -0.44 0.15 -0.06 -0.04 2.02 1.63 3h4zC1 PRO 107 HG2 -1.06 -0.01 0.00 -0.04 2.03 0.92 3h4zC1 PRO 107 HG3 -1.43 0.03 -0.22 -0.04 2.03 0.36 3h4zC1 PRO 107 HD2 -1.05 0.08 0.23 -0.04 3.68 2.90 3h4zC1 PRO 107 HD3 -0.55 0.25 0.13 -0.04 3.65 3.44 3h4zC1 ILE 108 H -0.12 0.56 0.30 -0.55 8.25 8.44 3h4zC1 ILE 108 HA -0.05 0.18 1.00 -0.75 4.18 4.56 3h4zC1 ILE 108 HB 0.05 0.06 0.09 -0.04 1.89 2.05 3h4zC1 ILE 108 HG12 -0.08 0.14 -0.20 -0.04 1.49 1.31 3h4zC1 ILE 108 HG13 0.18 -0.06 -0.18 -0.04 1.21 1.10 3h4zC1 ILE 108 HG23 0.11 -0.03 -0.19 -0.04 0.93 0.79 3h4zC1 ILE 108 HD13 0.06 0.02 -0.16 -0.04 0.88 0.75 3h4zC1 ALA 109 H -0.01 0.29 0.24 -0.55 8.40 8.37 3h4zC1 ALA 109 HA 0.03 0.09 0.49 -0.75 4.34 4.19 3h4zC1 ALA 109 HB3 0.07 0.02 -0.34 -0.04 1.41 1.13 3h4zC1 VAL 110 H 0.09 0.74 0.08 -0.55 8.24 8.59 3h4zC1 VAL 110 HA 0.10 0.16 0.91 -0.75 4.13 4.55 3h4zC1 VAL 110 HB 0.14 -0.03 0.15 -0.04 2.12 2.33 3h4zC1 VAL 110 HG13 0.13 0.01 -0.18 -0.04 0.97 0.88 3h4zC1 VAL 110 HG23 0.32 0.01 -0.08 -0.04 0.95 1.16 3h4zC1 GLU 111 H 0.14 0.95 0.46 -0.55 8.60 9.60 3h4zC1 GLU 111 HA 0.10 0.14 0.97 -0.75 4.29 4.75 3h4zC1 GLU 111 HB2 0.23 -0.10 0.10 -0.04 2.09 2.27 3h4zC1 GLU 111 HB3 0.44 -0.05 0.00 -0.04 1.99 2.34 3h4zC1 GLU 111 HG2 0.19 0.24 -0.20 -0.04 2.34 2.53 3h4zC1 GLU 111 HG3 0.11 -0.00 -0.21 -0.04 2.34 2.20 3h4zC1 ALA 112 H 0.02 0.22 0.08 -0.55 8.40 8.18 3h4zC1 ALA 112 HA 0.12 0.08 0.67 -0.75 4.34 4.46 3h4zC1 ALA 112 HB3 0.06 0.05 -0.13 -0.04 1.41 1.35 3h4zC1 LEU 113 H -0.00 0.11 -0.00 -0.55 8.37 7.92 3h4zC1 LEU 113 HA -0.14 0.07 0.32 -0.75 4.35 3.85 3h4zC1 LEU 113 HB2 -0.15 0.02 0.03 -0.04 1.64 1.49 3h4zC1 LEU 113 HB3 -0.11 0.07 -0.08 -0.04 1.64 1.49 3h4zC1 LEU 113 HG -0.24 -0.08 -0.09 -0.04 1.64 1.19 3h4zC1 LEU 113 HD13 -0.72 -0.00 -0.11 -0.04 0.93 0.05 3h4zC1 LEU 113 HD23 -0.06 0.00 -0.36 -0.04 0.89 0.43 3h4zC1 SER 114 H -0.06 0.37 0.31 -0.55 8.46 8.53 3h4zC1 SER 114 HA -0.02 0.14 0.63 -0.75 4.49 4.49 3h4zC1 SER 114 HB2 0.10 -0.08 -0.09 -0.04 3.95 3.84 3h4zC1 SER 114 HB3 0.05 0.17 0.05 -0.04 3.93 4.17 3h4zC1 LEU 115 H -0.01 0.54 0.06 -0.55 8.37 8.42 3h4zC1 LEU 115 HA -0.07 0.18 0.89 -0.75 4.35 4.59 3h4zC1 LEU 115 HB2 -0.14 -0.04 -0.00 -0.04 1.64 1.41 3h4zC1 LEU 115 HB3 -0.06 0.04 0.02 -0.04 1.64 1.60 3h4zC1 LEU 115 HG -0.03 -0.05 -0.30 -0.04 1.64 1.21 3h4zC1 LEU 115 HD13 -0.21 0.04 -0.03 -0.04 0.93 0.70 3h4zC1 LEU 115 HD23 -0.24 -0.02 -0.07 -0.04 0.89 0.52 3h4zC1 ILE 116 H -0.04 0.53 0.24 -0.55 8.25 8.43 3h4zC1 ILE 116 HA 0.14 0.33 0.97 -0.75 4.18 4.87 3h4zC1 ILE 116 HB -0.17 -0.10 -0.01 -0.04 1.89 1.57 3h4zC1 ILE 116 HG12 0.29 0.06 -0.20 -0.04 1.49 1.60 3h4zC1 ILE 116 HG13 0.08 -0.02 -0.26 -0.04 1.21 0.96 3h4zC1 ILE 116 HG23 0.25 0.04 -0.17 -0.04 0.93 1.00 3h4zC1 ILE 116 HD13 0.13 -0.02 -0.25 -0.04 0.88 0.70 3h4zC1 TYR 117 H 0.16 0.25 0.17 -0.55 8.29 8.32 3h4zC1 TYR 117 HA 0.21 0.29 1.13 -0.75 4.56 5.44 3h4zC1 TYR 117 HB2 0.09 0.09 0.05 -0.04 3.06 3.25 3h4zC1 TYR 117 HB3 0.01 -0.08 -0.14 -0.04 2.98 2.73 3h4zC1 TYR 117 HD2 0.01 0.15 -0.28 -0.04 7.15 6.99 3h4zC1 TYR 117 HE2 -0.03 0.13 -0.18 -0.04 6.85 6.72 3h4zC1 ASN 118 H 0.37 0.56 0.26 -0.55 8.53 9.19 3h4zC1 ASN 118 HA -0.03 0.29 0.93 -0.75 4.76 5.20 3h4zC1 ASN 118 HB2 -0.16 0.17 0.16 -0.04 2.88 3.00 3h4zC1 ASN 118 HB3 0.07 -0.09 0.34 -0.04 2.79 3.06 3h4zC1 ASN 118 HD21 -0.16 -0.01 0.06 -0.04 7.03 6.88 3h4zC1 ASN 118 HD22 -0.35 0.15 0.04 -0.04 7.74 7.54 3h4zC1 LYS 119 H -0.22 0.20 0.03 -0.55 8.42 7.87 3h4zC1 LYS 119 HA 0.11 0.25 0.18 -0.75 4.32 4.10 3h4zC1 ASP 120 H -0.02 0.00 -0.70 -0.55 8.40 7.13 3h4zC1 ASP 120 HA -0.00 0.09 0.54 -0.75 4.63 4.51 3h4zC1 ASP 120 HB2 -0.03 -0.03 0.10 -0.04 2.71 2.71 3h4zC1 ASP 120 HB3 -0.02 0.04 -0.03 -0.04 2.70 2.65 3h4zC1 LEU 121 H 0.00 0.06 0.04 -0.55 8.37 7.93 3h4zC1 LEU 121 HA 0.02 0.02 0.37 -0.75 4.35 4.00 3h4zC1 LEU 121 HB2 0.05 -0.03 0.17 -0.04 1.64 1.79 3h4zC1 LEU 121 HB3 0.04 -0.03 -0.01 -0.04 1.64 1.60 3h4zC1 LEU 121 HG -0.02 -0.07 0.09 -0.04 1.64 1.59 3h4zC1 LEU 121 HD13 0.01 0.05 -0.16 -0.04 0.93 0.79 3h4zC1 LEU 121 HD23 -0.00 0.00 0.02 -0.04 0.89 0.87 3h4zC1 LEU 122 H 0.10 0.43 -0.17 -0.55 8.37 8.19 3h4zC1 LEU 122 HA 0.04 0.17 0.78 -0.75 4.35 4.59 3h4zC1 PRO 123 HA 0.09 0.33 0.45 -0.51 4.44 4.79 3h4zC1 PRO 123 HB2 0.02 -0.07 -0.01 -0.04 2.28 2.19 3h4zC1 PRO 123 HB3 0.02 0.07 0.11 -0.04 2.02 2.18 3h4zC1 PRO 123 HG2 0.01 -0.17 0.10 -0.04 2.03 1.93 3h4zC1 PRO 123 HG3 0.01 0.01 0.07 -0.04 2.03 2.07 3h4zC1 PRO 123 HD2 0.02 0.05 0.19 -0.04 3.68 3.90 3h4zC1 PRO 123 HD3 0.03 0.30 0.05 -0.04 3.65 3.98 3h4zC1 ASN 124 H -0.00 0.15 -0.16 -0.55 8.53 7.98 3h4zC1 ASN 124 HA -0.08 0.21 0.85 -0.75 4.76 4.99 3h4zC1 ASN 124 HB2 -0.04 -0.06 0.01 -0.04 2.88 2.74 3h4zC1 ASN 124 HB3 -0.08 0.06 -0.06 -0.04 2.79 2.67 3h4zC1 ASN 124 HD21 -0.01 -0.01 -0.09 -0.04 7.03 6.88 3h4zC1 ASN 124 HD22 -0.02 -0.02 -0.07 -0.04 7.74 7.59 3h4zC1 PRO 125 HA -0.24 0.10 0.49 -0.51 4.44 4.27 3h4zC1 PRO 125 HB2 -0.41 0.10 -0.05 -0.04 2.28 1.88 3h4zC1 PRO 125 HB3 -0.93 -0.01 -0.06 -0.04 2.02 0.98 3h4zC1 PRO 125 HG2 -0.36 0.03 -0.03 -0.04 2.03 1.62 3h4zC1 PRO 125 HG3 -0.85 -0.02 -0.04 -0.04 2.03 1.08 3h4zC1 PRO 125 HD2 -0.30 0.05 0.16 -0.04 3.68 3.55 3h4zC1 PRO 125 HD3 -1.02 0.21 -0.00 -0.04 3.65 2.80 3h4zC1 PRO 126 HA -0.10 0.06 0.42 -0.51 4.44 4.31 3h4zC1 PRO 126 HB2 -0.11 -0.03 0.10 -0.04 2.28 2.20 3h4zC1 PRO 126 HB3 -0.08 0.04 0.05 -0.04 2.02 1.99 3h4zC1 PRO 126 HG2 -0.23 0.03 -0.05 -0.04 2.03 1.74 3h4zC1 PRO 126 HG3 -0.14 0.00 -0.01 -0.04 2.03 1.85 3h4zC1 PRO 126 HD2 -0.20 0.09 0.12 -0.04 3.68 3.66 3h4zC1 PRO 126 HD3 -0.12 0.17 0.12 -0.04 3.65 3.78 3h4zC1 LYS 127 H -0.08 0.08 0.16 -0.55 8.42 8.02 3h4zC1 LYS 127 HA -0.11 0.29 0.78 -0.75 4.32 4.52 3h4zC1 LYS 127 HB2 -0.05 -0.05 0.04 -0.04 1.87 1.77 3h4zC1 LYS 127 HB3 -0.05 0.01 0.13 -0.04 1.79 1.83 3h4zC1 LYS 127 HG2 -0.08 0.05 -0.17 -0.04 1.46 1.21 3h4zC1 LYS 127 HG3 -0.06 -0.02 -0.03 -0.04 1.46 1.31 3h4zC1 LYS 127 HD2 -0.07 -0.00 -0.07 -0.04 1.69 1.50 3h4zC1 LYS 127 HD3 -0.06 -0.04 -0.02 -0.04 1.68 1.51 3h4zC1 LYS 127 HE2 -0.12 0.03 -0.01 -0.04 2.99 2.85 3h4zC1 LYS 127 HE3 -0.14 0.19 -0.37 -0.04 2.99 2.63 3h4zC1 THR 128 H -0.09 0.19 0.04 -0.55 8.28 7.86 3h4zC1 THR 128 HA 0.04 0.19 0.79 -0.75 4.39 4.65 3h4zC1 THR 128 HB 0.04 -0.03 0.13 -0.04 4.32 4.42 3h4zC1 THR 128 HG23 -0.01 0.02 -0.24 -0.04 1.22 0.94 3h4zC1 TRP 129 H 0.41 0.62 0.22 -0.55 7.97 8.67 3h4zC1 TRP 129 HA 0.09 0.13 0.51 -0.75 4.62 4.60 3h4zC1 TRP 129 HB2 -0.09 -0.01 0.08 -0.04 3.23 3.16 3h4zC1 TRP 129 HB3 0.36 0.01 0.00 -0.04 3.23 3.56 3h4zC1 TRP 129 HD1 0.04 0.42 -0.56 -0.04 7.22 7.08 3h4zC1 TRP 129 HE1 -0.04 0.36 -0.21 -0.04 10.20 10.27 3h4zC1 TRP 129 HE3 0.28 -0.03 -0.06 -0.04 7.59 7.74 3h4zC1 TRP 129 HZ2 -0.15 0.02 -0.14 -0.04 7.44 7.13 3h4zC1 TRP 129 HZ3 0.37 -0.02 -0.11 -0.04 7.13 7.34 3h4zC1 TRP 129 HH2 -0.45 0.02 -0.10 -0.04 7.19 6.62 3h4zC1 GLU 130 H 0.10 0.06 -0.07 -0.55 8.60 8.14 3h4zC1 GLU 130 HA 0.23 0.13 0.40 -0.75 4.29 4.29 3h4zC1 GLU 130 HB2 0.02 -0.02 0.03 -0.04 2.09 2.07 3h4zC1 GLU 130 HB3 0.04 0.07 0.04 -0.04 1.99 2.09 3h4zC1 GLU 130 HG2 -0.09 0.06 0.05 -0.04 2.34 2.32 3h4zC1 GLU 130 HG3 -0.20 0.05 0.07 -0.04 2.34 2.22 3h4zC1 GLU 131 H 0.05 0.10 -0.37 -0.55 8.60 7.84 3h4zC1 GLU 131 HA 0.03 0.08 0.41 -0.75 4.29 4.06 3h4zC1 GLU 131 HB2 -0.02 0.08 -0.00 -0.04 2.09 2.10 3h4zC1 GLU 131 HB3 -0.01 0.05 0.08 -0.04 1.99 2.07 3h4zC1 GLU 131 HG2 -0.00 0.04 -0.02 -0.04 2.34 2.32 3h4zC1 GLU 131 HG3 -0.00 -0.11 0.00 -0.04 2.34 2.19 3h4zC1 ILE 132 H 0.11 0.33 -0.47 -0.55 8.25 7.67 3h4zC1 ILE 132 HA -0.01 0.01 0.36 -0.75 4.18 3.80 3h4zC1 ILE 132 HB 0.18 0.18 0.12 -0.04 1.89 2.33 3h4zC1 ILE 132 HG12 -0.06 -0.04 0.04 -0.04 1.49 1.38 3h4zC1 ILE 132 HG13 0.07 -0.00 0.14 -0.04 1.21 1.38 3h4zC1 ILE 132 HG23 0.04 -0.04 -0.04 -0.04 0.93 0.85 3h4zC1 ILE 132 HD13 0.01 -0.01 0.01 -0.04 0.88 0.85 3h4zC1 PRO 133 HA -0.65 0.10 0.54 -0.51 4.44 3.91 3h4zC1 PRO 133 HB2 -0.05 -0.00 0.11 -0.04 2.28 2.30 3h4zC1 PRO 133 HB3 -0.38 0.07 0.07 -0.04 2.02 1.73 3h4zC1 PRO 133 HG2 0.07 0.05 0.08 -0.04 2.03 2.19 3h4zC1 PRO 133 HG3 -0.30 0.02 0.05 -0.04 2.03 1.76 3h4zC1 PRO 133 HD2 0.09 0.51 -0.03 -0.04 3.68 4.20 3h4zC1 PRO 133 HD3 0.16 0.18 0.10 -0.04 3.65 4.05 3h4zC1 ALA 134 H -0.01 0.25 -0.00 -0.55 8.40 8.09 3h4zC1 ALA 134 HA 0.03 0.08 0.44 -0.75 4.34 4.14 3h4zC1 ALA 134 HB3 0.02 0.03 0.08 -0.04 1.41 1.50 3h4zC1 LEU 135 H -0.01 0.24 -0.45 -0.55 8.37 7.60 3h4zC1 LEU 135 HA 0.01 0.05 0.43 -0.75 4.35 4.07 3h4zC1 LEU 135 HB2 -0.01 0.04 0.08 -0.04 1.64 1.71 3h4zC1 LEU 135 HB3 -0.01 0.14 0.18 -0.04 1.64 1.90 3h4zC1 LEU 135 HG 0.01 -0.06 -0.16 -0.04 1.64 1.38 3h4zC1 LEU 135 HD13 0.00 -0.00 0.03 -0.04 0.93 0.92 3h4zC1 LEU 135 HD23 -0.03 -0.02 -0.05 -0.04 0.89 0.75 3h4zC1 ASP 136 H -0.03 0.37 -0.03 -0.55 8.40 8.16 3h4zC1 ASP 136 HA 0.04 -0.19 0.56 -0.75 4.63 4.28 3h4zC1 ASP 136 HB2 0.00 -0.03 0.24 -0.04 2.71 2.88 3h4zC1 ASP 136 HB3 0.08 0.20 0.30 -0.04 2.70 3.25 3h4zC1 LYS 137 H 0.06 0.43 -0.16 -0.55 8.42 8.20 3h4zC1 LYS 137 HA 0.06 0.04 0.33 -0.75 4.32 3.99 3h4zC1 LYS 137 HB2 0.04 0.18 0.10 -0.04 1.87 2.14 3h4zC1 LYS 137 HB3 0.04 -0.03 0.04 -0.04 1.79 1.79 3h4zC1 LYS 137 HG2 0.09 0.00 0.03 -0.04 1.46 1.55 3h4zC1 LYS 137 HG3 0.12 0.17 0.13 -0.04 1.46 1.84 3h4zC1 LYS 137 HD2 0.06 -0.05 0.06 -0.04 1.69 1.72 3h4zC1 LYS 137 HD3 0.05 -0.02 0.01 -0.04 1.68 1.69 3h4zC1 LYS 137 HE2 0.11 0.03 -0.02 -0.04 2.99 3.07 3h4zC1 LYS 137 HE3 0.19 -0.00 -0.12 -0.04 2.99 3.02 3h4zC1 GLU 138 H 0.03 0.24 -0.47 -0.55 8.60 7.85 3h4zC1 GLU 138 HA 0.02 0.00 0.36 -0.75 4.29 3.92 3h4zC1 GLU 138 HB2 0.02 0.20 0.23 -0.04 2.09 2.49 3h4zC1 GLU 138 HB3 0.01 -0.02 0.02 -0.04 1.99 1.96 3h4zC1 GLU 138 HG2 0.01 0.25 0.20 -0.04 2.34 2.76 3h4zC1 GLU 138 HG3 0.01 -0.08 0.06 -0.04 2.34 2.30 3h4zC1 LEU 139 H 0.03 0.32 -0.05 -0.55 8.37 8.12 3h4zC1 LEU 139 HA 0.02 0.10 0.45 -0.75 4.35 4.17 3h4zC1 LEU 139 HB2 0.04 0.00 -0.14 -0.04 1.64 1.49 3h4zC1 LEU 139 HB3 0.03 -0.07 -0.20 -0.04 1.64 1.37 3h4zC1 LEU 139 HG 0.03 -0.03 -0.06 -0.04 1.64 1.54 3h4zC1 LEU 139 HD13 0.04 0.01 -0.14 -0.04 0.93 0.80 3h4zC1 LEU 139 HD23 0.02 0.03 -0.04 -0.04 0.89 0.86 3h4zC1 LYS 140 H 0.04 0.75 -0.06 -0.55 8.42 8.60 3h4zC1 LYS 140 HA 0.03 0.38 0.48 -0.75 4.32 4.45 3h4zC1 LYS 140 HB2 0.05 0.22 -0.02 -0.04 1.87 2.09 3h4zC1 LYS 140 HB3 0.04 -0.04 -0.01 -0.04 1.79 1.73 3h4zC1 LYS 140 HG2 0.04 -0.04 -0.01 -0.04 1.46 1.41 3h4zC1 LYS 140 HG3 0.02 -0.06 0.08 -0.04 1.46 1.46 3h4zC1 LYS 140 HD2 0.03 0.10 0.15 -0.04 1.69 1.93 3h4zC1 LYS 140 HD3 0.05 -0.08 0.16 -0.04 1.68 1.77 3h4zC1 LYS 140 HE2 0.01 -0.08 0.05 -0.04 2.99 2.92 3h4zC1 LYS 140 HE3 0.02 -0.03 0.05 -0.04 2.99 2.99 3h4zC1 ALA 141 H 0.02 0.36 -0.82 -0.55 8.40 7.42 3h4zC1 ALA 141 HA 0.01 0.08 0.80 -0.75 4.34 4.48 3h4zC1 ALA 141 HB3 0.01 0.01 0.13 -0.04 1.41 1.53 3h4zC1 LYS 142 H 0.02 0.66 -0.20 -0.55 8.42 8.34 3h4zC1 LYS 142 HA 0.01 0.09 0.77 -0.75 4.32 4.43 3h4zC1 LYS 142 HB2 0.01 -0.01 0.18 -0.04 1.87 2.01 3h4zC1 LYS 142 HB3 0.01 -0.06 0.23 -0.04 1.79 1.93 3h4zC1 LYS 142 HG2 0.01 -0.00 0.00 -0.04 1.46 1.43 3h4zC1 LYS 142 HG3 0.01 0.21 -0.24 -0.04 1.46 1.40 3h4zC1 LYS 142 HD2 0.01 -0.08 -0.09 -0.04 1.69 1.49 3h4zC1 LYS 142 HD3 0.01 -0.05 0.01 -0.04 1.68 1.61 3h4zC1 LYS 142 HE2 0.01 -0.05 -0.01 -0.04 2.99 2.90 3h4zC1 LYS 142 HE3 0.01 0.17 -0.08 -0.04 2.99 3.05 3h4zC1 GLY 143 H 0.01 0.17 -0.01 -0.55 8.43 8.05 3h4zC1 GLY 143 HA2 0.01 -0.03 0.36 -0.51 4.01 3.84 3h4zC1 GLY 143 HA3 0.01 0.07 0.60 -0.51 4.01 4.18 3h4zC1 LYS 144 H 0.02 0.23 -0.34 -0.55 8.42 7.77 3h4zC1 LYS 144 HA 0.02 0.26 0.89 -0.75 4.32 4.74 3h4zC1 LYS 144 HB2 0.03 -0.20 -0.04 -0.04 1.87 1.62 3h4zC1 LYS 144 HB3 0.03 0.18 0.24 -0.04 1.79 2.20 3h4zC1 LYS 144 HG2 0.01 0.04 -0.11 -0.04 1.46 1.36 3h4zC1 LYS 144 HG3 0.01 -0.09 -0.01 -0.04 1.46 1.34 3h4zC1 LYS 144 HD2 0.01 0.23 0.18 -0.04 1.69 2.07 3h4zC1 LYS 144 HD3 0.01 -0.08 -0.27 -0.04 1.68 1.30 3h4zC1 LYS 144 HE2 -0.01 0.00 0.07 -0.04 2.99 3.01 3h4zC1 LYS 144 HE3 -0.01 -0.02 0.06 -0.04 2.99 2.99 3h4zC1 SER 145 H 0.05 0.47 0.32 -0.55 8.46 8.75 3h4zC1 SER 145 HA 0.05 0.09 0.68 -0.75 4.49 4.55 3h4zC1 SER 145 HB2 0.05 0.07 0.08 -0.04 3.95 4.10 3h4zC1 SER 145 HB3 0.04 0.07 -0.15 -0.04 3.93 3.85 3h4zC1 ALA 146 H 0.05 0.13 0.19 -0.55 8.40 8.22 3h4zC1 ALA 146 HA 0.05 0.05 0.42 -0.75 4.34 4.11 3h4zC1 ALA 146 HB3 0.02 0.02 0.09 -0.04 1.41 1.51 3h4zC1 LEU 147 H 0.04 0.05 0.11 -0.55 8.37 8.02 3h4zC1 LEU 147 HA 0.06 0.03 0.43 -0.75 4.35 4.11 3h4zC1 LEU 147 HB2 -0.01 -0.01 0.03 -0.04 1.64 1.61 3h4zC1 LEU 147 HB3 0.09 -0.02 0.02 -0.04 1.64 1.70 3h4zC1 LEU 147 HG 0.36 -0.00 -0.30 -0.04 1.64 1.66 3h4zC1 LEU 147 HD13 -0.00 0.00 -0.31 -0.04 0.93 0.58 3h4zC1 LEU 147 HD23 0.09 -0.00 -0.12 -0.04 0.89 0.82 3h4zC1 MET 148 H 0.13 0.16 -0.12 -0.55 8.47 8.10 3h4zC1 MET 148 HA -0.01 -0.05 0.42 -0.75 4.52 4.12 3h4zC1 MET 148 HB2 0.04 0.20 -0.44 -0.04 2.15 1.92 3h4zC1 MET 148 HB3 0.04 0.04 0.10 -0.04 2.03 2.17 3h4zC1 MET 148 HG2 -0.05 -0.09 -0.09 -0.04 2.63 2.36 3h4zC1 MET 148 HG3 -0.04 -0.02 0.10 -0.04 2.56 2.57 3h4zC1 MET 148 HE3 -0.01 -0.03 -0.13 -0.04 2.10 1.89 3h4zC1 PHE 149 H -0.39 0.17 0.06 -0.55 8.34 7.63 3h4zC1 PHE 149 HA -0.12 0.20 0.94 -0.75 4.62 4.89 3h4zC1 PHE 149 HB2 0.00 -0.02 0.24 -0.04 3.15 3.33 3h4zC1 PHE 149 HB3 0.00 -0.15 0.04 -0.04 3.06 2.92 3h4zC1 PHE 149 HD2 0.11 -0.01 -0.16 -0.04 7.28 7.18 3h4zC1 PHE 149 HE2 0.29 -0.03 -0.21 -0.04 7.38 7.39 3h4zC1 PHE 149 HZ 0.30 -0.01 -0.12 -0.04 7.32 7.45 3h4zC1 ASN 150 H -0.19 0.13 0.16 -0.55 8.53 8.09 3h4zC1 ASN 150 HA -0.22 0.22 0.33 -0.75 4.76 4.34 3h4zC1 ASN 150 HB2 -0.61 0.04 0.05 -0.04 2.88 2.32 3h4zC1 ASN 150 HB3 -1.53 0.00 0.10 -0.04 2.79 1.32 3h4zC1 ASN 150 HD21 0.08 -0.01 -0.01 -0.04 7.03 7.05 3h4zC1 ASN 150 HD22 -0.07 0.07 0.00 -0.04 7.74 7.70 3h4zC1 LEU 151 H -0.12 0.39 0.23 -0.55 8.37 8.33 3h4zC1 LEU 151 HA 0.02 0.16 0.80 -0.75 4.35 4.57 3h4zC1 LEU 151 HB2 -0.10 0.20 -0.00 -0.04 1.64 1.70 3h4zC1 LEU 151 HB3 -0.07 -0.02 0.06 -0.04 1.64 1.57 3h4zC1 LEU 151 HG -0.36 0.13 -0.29 -0.04 1.64 1.08 3h4zC1 LEU 151 HD13 -0.18 0.04 -0.18 -0.04 0.93 0.58 3h4zC1 LEU 151 HD23 -0.38 0.01 -0.18 -0.04 0.89 0.30 3h4zC1 GLN 152 H -0.02 -0.07 0.11 -0.55 8.47 7.94 3h4zC1 GLN 152 HA 0.02 0.27 0.68 -0.75 4.36 4.58 3h4zC1 GLN 152 HB2 0.04 -0.15 0.07 -0.04 2.15 2.07 3h4zC1 GLN 152 HB3 0.03 0.02 0.13 -0.04 2.02 2.17 3h4zC1 GLN 152 HG2 -0.01 -0.05 0.08 -0.04 2.40 2.38 3h4zC1 GLN 152 HG3 0.01 -0.04 0.00 -0.04 2.39 2.32 3h4zC1 GLN 152 HE21 -0.03 0.42 -0.30 -0.04 6.97 7.02 3h4zC1 GLN 152 HE22 -0.04 0.52 -0.41 -0.04 7.69 7.72 3h4zC1 GLU 153 H 0.13 0.10 -0.27 -0.55 8.60 8.01 3h4zC1 GLU 153 HA 0.13 0.30 0.90 -0.75 4.29 4.87 3h4zC1 GLU 153 HB2 0.53 -0.04 0.06 -0.04 2.09 2.61 3h4zC1 GLU 153 HB3 0.36 -0.10 0.00 -0.04 1.99 2.21 3h4zC1 GLU 153 HG2 0.16 -0.04 -0.23 -0.04 2.34 2.19 3h4zC1 GLU 153 HG3 0.29 -0.02 -0.02 -0.04 2.34 2.54 3h4zC1 PRO 154 HA 0.28 0.11 0.32 -0.51 4.44 4.64 3h4zC1 PRO 154 HB2 0.44 0.02 -0.10 -0.04 2.28 2.60 3h4zC1 PRO 154 HB3 0.19 0.18 -0.28 -0.04 2.02 2.06 3h4zC1 PRO 154 HG2 0.08 -0.05 0.00 -0.04 2.03 2.02 3h4zC1 PRO 154 HG3 0.21 0.34 0.08 -0.04 2.03 2.61 3h4zC1 PRO 154 HD2 0.06 0.04 0.23 -0.04 3.68 3.97 3h4zC1 PRO 154 HD3 0.09 0.22 0.13 -0.04 3.65 4.04 3h4zC1 TYR 155 H 0.16 0.03 -0.53 -0.55 8.29 7.40 3h4zC1 TYR 155 HA 0.02 0.09 0.33 -0.75 4.56 4.25 3h4zC1 TYR 155 HB2 -0.52 -0.01 0.04 -0.04 3.06 2.52 3h4zC1 TYR 155 HB3 -0.29 -0.04 -0.01 -0.04 2.98 2.59 3h4zC1 TYR 155 HD2 -0.50 -0.02 -0.04 -0.04 7.15 6.55 3h4zC1 TYR 155 HE2 0.15 0.12 -0.03 -0.04 6.85 7.04 3h4zC1 PHE 156 H 0.66 0.25 -0.19 -0.55 8.34 8.50 3h4zC1 PHE 156 HA -0.02 0.11 0.52 -0.75 4.62 4.47 3h4zC1 PHE 156 HB2 0.37 0.24 0.07 -0.04 3.15 3.79 3h4zC1 PHE 156 HB3 0.27 0.02 0.05 -0.04 3.06 3.36 3h4zC1 PHE 156 HD2 0.21 0.17 0.04 -0.04 7.28 7.66 3h4zC1 PHE 156 HE2 0.33 -0.03 0.05 -0.04 7.38 7.69 3h4zC1 PHE 156 HZ 0.56 -0.04 0.01 -0.04 7.32 7.81 3h4zC1 THR 157 H 0.41 0.14 -0.17 -0.55 8.28 8.10 3h4zC1 THR 157 HA 0.27 0.13 0.55 -0.75 4.39 4.59 3h4zC1 THR 157 HB 0.13 -0.02 0.00 -0.04 4.32 4.39 3h4zC1 THR 157 HG23 0.30 0.03 -0.04 -0.04 1.22 1.46 3h4zC1 TRP 158 H 0.44 0.39 -0.29 -0.55 7.97 7.96 3h4zC1 TRP 158 HA 0.07 -0.03 0.35 -0.75 4.62 4.25 3h4zC1 TRP 158 HB2 0.44 0.10 0.06 -0.04 3.23 3.78 3h4zC1 TRP 158 HB3 0.24 0.11 0.06 -0.04 3.23 3.61 3h4zC1 TRP 158 HD1 -0.04 -0.12 -0.07 -0.04 7.22 6.95 3h4zC1 TRP 158 HE1 -1.22 0.11 -0.10 -0.04 10.20 8.94 3h4zC1 TRP 158 HE3 0.12 0.02 -0.06 -0.04 7.59 7.63 3h4zC1 TRP 158 HZ2 -0.16 -0.05 -0.19 -0.04 7.44 6.99 3h4zC1 TRP 158 HZ3 0.01 0.02 -0.11 -0.04 7.13 7.02 3h4zC1 TRP 158 HH2 0.13 0.05 -0.35 -0.04 7.19 6.98 3h4zC1 PRO 159 HA -0.15 0.09 -0.05 -0.51 4.44 3.81 3h4zC1 PRO 159 HB2 0.05 0.05 -0.10 -0.04 2.28 2.23 3h4zC1 PRO 159 HB3 0.02 0.06 -0.11 -0.04 2.02 1.95 3h4zC1 PRO 159 HG2 -0.03 0.08 0.00 -0.04 2.03 2.05 3h4zC1 PRO 159 HG3 0.01 -0.08 0.02 -0.04 2.03 1.95 3h4zC1 PRO 159 HD2 0.10 0.34 -0.70 -0.04 3.68 3.38 3h4zC1 PRO 159 HD3 0.20 0.24 -0.10 -0.04 3.65 3.96 3h4zC1 LEU 160 H -0.24 0.29 -0.45 -0.55 8.37 7.43 3h4zC1 LEU 160 HA -0.49 0.11 0.47 -0.75 4.35 3.69 3h4zC1 LEU 160 HB2 -1.14 -0.00 -0.03 -0.04 1.64 0.43 3h4zC1 LEU 160 HB3 -0.59 0.12 -0.02 -0.04 1.64 1.11 3h4zC1 LEU 160 HG -1.15 -0.05 -0.12 -0.04 1.64 0.28 3h4zC1 LEU 160 HD13 -1.94 -0.00 -0.05 -0.04 0.93 -1.11 3h4zC1 LEU 160 HD23 -1.01 -0.01 -0.09 -0.04 0.89 -0.26 3h4zC1 ILE 161 H -0.38 0.32 -0.16 -0.55 8.25 7.47 3h4zC1 ILE 161 HA -0.37 -0.01 0.47 -0.75 4.18 3.51 3h4zC1 ILE 161 HB -0.55 0.03 0.14 -0.04 1.89 1.47 3h4zC1 ILE 161 HG12 -0.14 -0.07 -0.04 -0.04 1.49 1.19 3h4zC1 ILE 161 HG13 -0.13 0.26 -0.06 -0.04 1.21 1.24 3h4zC1 ILE 161 HG23 -0.28 -0.00 -0.12 -0.04 0.93 0.49 3h4zC1 ILE 161 HD13 0.18 -0.02 -0.13 -0.04 0.88 0.87 3h4zC1 ALA 162 H -1.09 0.75 -0.07 -0.55 8.40 7.44 3h4zC1 ALA 162 HA -0.57 -0.03 0.41 -0.75 4.34 3.39 3h4zC1 ALA 162 HB3 -1.12 0.04 -0.08 -0.04 1.41 0.21 3h4zC1 ALA 163 H -0.40 0.04 -0.84 -0.55 8.40 6.66 3h4zC1 ALA 163 HA -0.13 0.01 0.28 -0.75 4.34 3.74 3h4zC1 ALA 163 HB3 -0.11 0.04 0.04 -0.04 1.41 1.34 3h4zC1 ASP 164 H -0.12 0.06 -0.94 -0.55 8.40 6.85 3h4zC1 ASP 164 HA -0.03 0.16 0.58 -0.75 4.63 4.59 3h4zC1 ASP 164 HB2 0.00 0.20 -0.16 -0.04 2.71 2.71 3h4zC1 ASP 164 HB3 0.05 -0.09 0.01 -0.04 2.70 2.63 3h4zC1 GLY 165 H -0.02 0.37 -0.01 -0.55 8.43 8.22 3h4zC1 GLY 165 HA2 0.05 0.01 0.36 -0.51 4.01 3.92 3h4zC1 GLY 165 HA3 -0.02 -0.06 0.90 -0.51 4.01 4.32 3h4zC1 GLY 166 H -0.14 0.12 -0.19 -0.55 8.43 7.68 3h4zC1 GLY 166 HA2 -0.21 0.14 0.44 -0.51 4.01 3.87 3h4zC1 GLY 166 HA3 -0.27 0.03 0.24 -0.51 4.01 3.49 3h4zC1 TYR 167 H -0.12 0.65 0.28 -0.55 8.29 8.55 3h4zC1 TYR 167 HA 0.41 0.08 0.41 -0.75 4.56 4.71 3h4zC1 TYR 167 HB2 0.11 -0.13 0.01 -0.04 3.06 3.02 3h4zC1 TYR 167 HB3 0.07 0.31 -0.05 -0.04 2.98 3.28 3h4zC1 TYR 167 HD2 0.05 0.17 -0.49 -0.04 7.15 6.84 3h4zC1 TYR 167 HE2 0.07 0.08 -0.20 -0.04 6.85 6.77 3h4zC1 ALA 168 H 0.19 0.17 0.05 -0.55 8.40 8.27 3h4zC1 ALA 168 HA -0.37 0.10 0.59 -0.75 4.34 3.91 3h4zC1 ALA 168 HB3 -1.36 -0.01 0.10 -0.04 1.41 0.10 3h4zC1 PHE 169 H -0.12 0.17 0.09 -0.55 8.34 7.92 3h4zC1 PHE 169 HA 0.17 0.36 0.87 -0.75 4.62 5.26 3h4zC1 PHE 169 HB2 -0.18 -0.06 -0.00 -0.04 3.15 2.86 3h4zC1 PHE 169 HB3 0.08 0.02 -0.24 -0.04 3.06 2.88 3h4zC1 PHE 169 HD2 -0.17 0.03 -0.12 -0.04 7.28 6.98 3h4zC1 PHE 169 HE2 -0.11 0.04 -0.17 -0.04 7.38 7.11 3h4zC1 PHE 169 HZ 0.02 0.12 -0.07 -0.04 7.32 7.36 3h4zC1 LYS 170 H 0.25 0.43 0.17 -0.55 8.42 8.72 3h4zC1 LYS 170 HA -0.10 0.02 0.37 -0.75 4.32 3.86 3h4zC1 LYS 170 HB2 -0.04 0.07 0.11 -0.04 1.87 1.96 3h4zC1 LYS 170 HB3 0.09 -0.05 0.16 -0.04 1.79 1.95 3h4zC1 LYS 170 HG2 0.00 -0.02 -0.09 -0.04 1.46 1.31 3h4zC1 LYS 170 HG3 -0.00 0.08 -0.38 -0.04 1.46 1.12 3h4zC1 LYS 170 HD2 -0.06 0.03 -0.01 -0.04 1.69 1.60 3h4zC1 LYS 170 HD3 -0.21 -0.02 0.04 -0.04 1.68 1.44 3h4zC1 LYS 170 HE2 -0.17 0.01 -0.02 -0.04 2.99 2.76 3h4zC1 LYS 170 HE3 -0.01 -0.01 -0.02 -0.04 2.99 2.91 3h4zC1 TYR 171 H 0.19 0.14 0.22 -0.55 8.29 8.29 3h4zC1 TYR 171 HA -0.10 0.18 0.78 -0.75 4.56 4.66 3h4zC1 TYR 171 HB2 0.18 0.04 0.12 -0.04 3.06 3.36 3h4zC1 TYR 171 HB3 0.01 -0.00 0.22 -0.04 2.98 3.16 3h4zC1 TYR 171 HD2 -0.61 0.04 -0.08 -0.04 7.15 6.45 3h4zC1 TYR 171 HE2 -0.18 0.02 -0.06 -0.04 6.85 6.59 3h4zC1 ALA 172 H -0.34 0.85 0.25 -0.55 8.40 8.61 3h4zC1 ALA 172 HA -0.28 0.10 0.92 -0.75 4.34 4.32 3h4zC1 ALA 172 HB3 -0.10 0.00 -0.07 -0.04 1.41 1.21 3h4zC1 ALA 173 H -0.40 0.14 0.05 -0.55 8.40 7.65 3h4zC1 ALA 173 HA -0.23 -0.02 0.37 -0.75 4.34 3.71 3h4zC1 ALA 173 HB3 -0.12 0.05 -0.00 -0.04 1.41 1.30 3h4zC1 GLY 174 H -0.42 0.06 0.02 -0.55 8.43 7.54 3h4zC1 GLY 174 HA2 0.14 -0.01 0.28 -0.51 4.01 3.91 3h4zC1 GLY 174 HA3 -0.02 0.03 0.35 -0.51 4.01 3.87 3h4zC1 LYS 175 H -0.57 0.08 -0.38 -0.55 8.42 7.00 3h4zC1 LYS 175 HA -0.06 -0.02 0.43 -0.75 4.32 3.93 3h4zC1 TYR 176 H 0.11 0.16 0.18 -0.55 8.29 8.20 3h4zC1 TYR 176 HA 0.11 0.35 0.99 -0.75 4.56 5.26 3h4zC1 TYR 176 HB2 0.03 -0.07 0.08 -0.04 3.06 3.06 3h4zC1 TYR 176 HB3 0.08 -0.00 -0.12 -0.04 2.98 2.90 3h4zC1 TYR 176 HD2 0.17 0.10 -0.18 -0.04 7.15 7.20 3h4zC1 TYR 176 HE2 0.11 0.01 0.01 -0.04 6.85 6.94 3h4zC1 ASP 177 H 0.23 0.56 0.11 -0.55 8.40 8.75 3h4zC1 ASP 177 HA 0.05 0.18 0.87 -0.75 4.63 4.98 3h4zC1 ASP 177 HB2 0.05 0.08 0.01 -0.04 2.71 2.82 3h4zC1 ASP 177 HB3 0.12 0.03 0.23 -0.04 2.70 3.04 3h4zC1 ILE 178 H -0.05 0.29 0.01 -0.55 8.25 7.96 3h4zC1 ILE 178 HA -0.29 0.07 0.32 -0.75 4.18 3.52 3h4zC1 ILE 178 HB -0.34 0.08 0.18 -0.04 1.89 1.77 3h4zC1 ILE 178 HG12 -0.06 -0.02 0.03 -0.04 1.49 1.40 3h4zC1 ILE 178 HG13 -0.04 0.07 -0.23 -0.04 1.21 0.97 3h4zC1 ILE 178 HG23 -0.44 -0.00 -0.00 -0.04 0.93 0.45 3h4zC1 ILE 178 HD13 -0.06 0.01 0.01 -0.04 0.88 0.80 3h4zC1 LYS 179 H 0.09 0.10 -1.07 -0.55 8.42 6.99 3h4zC1 LYS 179 HA 0.09 0.25 0.84 -0.75 4.32 4.76 3h4zC1 LYS 179 HB2 0.06 -0.03 -0.03 -0.04 1.87 1.82 3h4zC1 LYS 179 HB3 0.06 0.02 0.16 -0.04 1.79 1.99 3h4zC1 LYS 179 HG2 0.03 -0.12 -0.29 -0.04 1.46 1.03 3h4zC1 LYS 179 HG3 0.03 -0.00 -0.04 -0.04 1.46 1.41 3h4zC1 LYS 179 HD2 0.04 -0.01 0.05 -0.04 1.69 1.72 3h4zC1 LYS 179 HD3 0.05 0.22 0.05 -0.04 1.68 1.97 3h4zC1 LYS 179 HE2 0.02 -0.05 -0.02 -0.04 2.99 2.90 3h4zC1 LYS 179 HE3 0.03 0.05 0.01 -0.04 2.99 3.04 3h4zC1 ASP 180 H 0.23 0.35 -0.05 -0.55 8.40 8.39 3h4zC1 ASP 180 HA 0.16 0.17 0.77 -0.75 4.63 4.97 3h4zC1 ASP 180 HB2 0.13 0.05 -0.05 -0.04 2.71 2.79 3h4zC1 ASP 180 HB3 0.18 -0.02 0.22 -0.04 2.70 3.03 3h4zC1 VAL 181 H 0.17 0.18 0.03 -0.55 8.24 8.07 3h4zC1 VAL 181 HA 0.19 0.44 0.84 -0.75 4.13 4.85 3h4zC1 VAL 181 HB 0.10 0.01 0.09 -0.04 2.12 2.28 3h4zC1 VAL 181 HG13 0.02 -0.04 0.05 -0.04 0.97 0.96 3h4zC1 VAL 181 HG23 0.27 0.00 -0.13 -0.04 0.95 1.05 3h4zC1 GLY 182 H -0.11 0.53 0.10 -0.55 8.43 8.40 3h4zC1 GLY 182 HA2 -0.31 0.14 0.85 -0.51 4.01 4.17 3h4zC1 GLY 182 HA3 -1.56 0.04 0.32 -0.51 4.01 2.30 3h4zC1 VAL 183 H -0.05 0.22 -0.12 -0.55 8.24 7.74 3h4zC1 VAL 183 HA 0.06 0.17 0.90 -0.75 4.13 4.51 3h4zC1 VAL 183 HB 0.08 -0.00 0.08 -0.04 2.12 2.23 3h4zC1 VAL 183 HG13 0.23 0.01 -0.09 -0.04 0.97 1.08 3h4zC1 VAL 183 HG23 0.00 0.03 -0.24 -0.04 0.95 0.70 3h4zC1 ASP 184 H -0.07 0.05 -0.23 -0.55 8.40 7.61 3h4zC1 ASP 184 HA -0.03 0.18 0.59 -0.75 4.63 4.62 3h4zC1 ASP 184 HB2 -0.01 0.00 -0.02 -0.04 2.71 2.64 3h4zC1 ASP 184 HB3 -0.01 0.10 -0.50 -0.04 2.70 2.25 3h4zC1 ASN 185 H -0.09 0.05 -0.14 -0.55 8.53 7.80 3h4zC1 ASN 185 HA -0.03 0.26 0.66 -0.75 4.76 4.90 3h4zC1 ASN 185 HB2 -0.02 -0.05 0.14 -0.04 2.88 2.90 3h4zC1 ASN 185 HB3 -0.07 0.07 0.02 -0.04 2.79 2.77 3h4zC1 ASN 185 HD21 -0.05 -0.06 -0.27 -0.04 7.03 6.62 3h4zC1 ASN 185 HD22 -0.01 0.01 -0.04 -0.04 7.74 7.66 3h4zC1 ALA 186 H -0.01 0.17 0.11 -0.55 8.40 8.11 3h4zC1 ALA 186 HA -0.01 0.10 0.32 -0.75 4.34 3.99 3h4zC1 ALA 186 HB3 -0.01 0.01 0.15 -0.04 1.41 1.53 3h4zC1 GLY 187 H -0.02 0.14 0.09 -0.55 8.43 8.10 3h4zC1 GLY 187 HA2 0.02 -0.02 0.41 -0.51 4.01 3.92 3h4zC1 GLY 187 HA3 -0.02 0.84 0.55 -0.51 4.01 4.88 3h4zC1 ALA 188 H -0.07 -0.04 -0.49 -0.55 8.40 7.26 3h4zC1 ALA 188 HA -0.16 0.24 0.39 -0.75 4.34 4.06 3h4zC1 ALA 188 HB3 -0.08 0.07 -0.15 -0.04 1.41 1.21 3h4zC1 LYS 189 H -0.03 0.61 -0.13 -0.55 8.42 8.31 3h4zC1 LYS 189 HA -0.03 0.01 0.40 -0.75 4.32 3.95 3h4zC1 LYS 189 HB2 -0.01 0.13 -0.02 -0.04 1.87 1.93 3h4zC1 LYS 189 HB3 -0.00 -0.10 -0.02 -0.04 1.79 1.62 3h4zC1 LYS 189 HG2 -0.02 -0.00 -0.03 -0.04 1.46 1.37 3h4zC1 LYS 189 HG3 -0.02 0.12 -0.16 -0.04 1.46 1.36 3h4zC1 LYS 189 HD2 -0.01 -0.12 -0.08 -0.04 1.69 1.45 3h4zC1 LYS 189 HD3 -0.01 0.02 0.02 -0.04 1.68 1.67 3h4zC1 LYS 189 HE2 -0.01 0.08 -0.13 -0.04 2.99 2.89 3h4zC1 LYS 189 HE3 -0.00 -0.01 -0.08 -0.04 2.99 2.85 3h4zC1 ALA 190 H 0.01 0.29 -0.56 -0.55 8.40 7.60 3h4zC1 ALA 190 HA 0.10 -0.01 0.44 -0.75 4.34 4.12 3h4zC1 ALA 190 HB3 0.14 0.05 0.10 -0.04 1.41 1.65 3h4zC1 GLY 191 H -0.06 0.64 0.02 -0.55 8.43 8.49 3h4zC1 GLY 191 HA2 -1.07 -0.01 0.43 -0.51 4.01 2.85 3h4zC1 GLY 191 HA3 -0.54 0.23 0.23 -0.51 4.01 3.43 3h4zC1 LEU 192 H -0.14 0.52 0.04 -0.55 8.37 8.25 3h4zC1 LEU 192 HA -0.10 0.01 0.30 -0.75 4.35 3.80 3h4zC1 LEU 192 HB2 -0.06 0.03 0.08 -0.04 1.64 1.65 3h4zC1 LEU 192 HB3 -0.05 0.05 0.06 -0.04 1.64 1.67 3h4zC1 LEU 192 HG -0.03 -0.04 -0.20 -0.04 1.64 1.34 3h4zC1 LEU 192 HD13 -0.02 -0.00 -0.00 -0.04 0.93 0.86 3h4zC1 LEU 192 HD23 -0.02 0.03 -0.09 -0.04 0.89 0.77 3h4zC1 THR 193 H -0.01 0.37 -0.58 -0.55 8.28 7.51 3h4zC1 THR 193 HA 0.00 -0.01 0.44 -0.75 4.39 4.07 3h4zC1 THR 193 HB 0.09 0.16 0.11 -0.04 4.32 4.64 3h4zC1 THR 193 HG23 0.05 -0.03 -0.06 -0.04 1.22 1.14 3h4zC1 PHE 194 H 0.13 0.42 -0.12 -0.55 8.34 8.22 3h4zC1 PHE 194 HA 0.04 -0.01 0.39 -0.75 4.62 4.28 3h4zC1 PHE 194 HB2 0.13 0.07 0.17 -0.04 3.15 3.48 3h4zC1 PHE 194 HB3 -0.29 0.13 0.13 -0.04 3.06 3.00 3h4zC1 PHE 194 HD2 -0.03 0.02 -0.06 -0.04 7.28 7.18 3h4zC1 PHE 194 HE2 0.26 0.01 -0.06 -0.04 7.38 7.56 3h4zC1 PHE 194 HZ 0.17 0.14 -0.14 -0.04 7.32 7.44 3h4zC1 LEU 195 H -0.06 0.41 -0.26 -0.55 8.37 7.91 3h4zC1 LEU 195 HA -0.14 0.01 0.36 -0.75 4.35 3.83 3h4zC1 LEU 195 HB2 -0.09 -0.02 0.01 -0.04 1.64 1.49 3h4zC1 LEU 195 HB3 -0.07 0.14 0.04 -0.04 1.64 1.70 3h4zC1 LEU 195 HG -0.05 0.04 -0.30 -0.04 1.64 1.29 3h4zC1 LEU 195 HD13 -0.01 -0.02 -0.06 -0.04 0.93 0.80 3h4zC1 LEU 195 HD23 0.02 -0.01 -0.07 -0.04 0.89 0.79 3h4zC1 VAL 196 H -0.06 0.39 -0.23 -0.55 8.24 7.79 3h4zC1 VAL 196 HA -0.05 0.06 0.46 -0.75 4.13 3.84 3h4zC1 VAL 196 HB -0.03 0.05 0.19 -0.04 2.12 2.30 3h4zC1 VAL 196 HG13 -0.03 0.00 -0.00 -0.04 0.97 0.90 3h4zC1 VAL 196 HG23 -0.03 0.07 -0.02 -0.04 0.95 0.93 3h4zC1 ASP 197 H -0.07 0.49 -0.04 -0.55 8.40 8.23 3h4zC1 ASP 197 HA -0.04 0.04 0.45 -0.75 4.63 4.32 3h4zC1 ASP 197 HB2 -0.11 0.11 0.16 -0.04 2.71 2.83 3h4zC1 ASP 197 HB3 -0.03 -0.03 0.01 -0.04 2.70 2.62 3h4zC1 LEU 198 H -0.21 0.48 -0.17 -0.55 8.37 7.93 3h4zC1 LEU 198 HA 0.29 0.00 0.34 -0.75 4.35 4.23 3h4zC1 LEU 198 HB2 -0.08 0.15 -0.00 -0.04 1.64 1.67 3h4zC1 LEU 198 HB3 0.04 -0.08 0.05 -0.04 1.64 1.61 3h4zC1 LEU 198 HG -0.68 0.57 0.15 -0.04 1.64 1.64 3h4zC1 LEU 198 HD13 -0.14 -0.03 -0.07 -0.04 0.93 0.64 3h4zC1 LEU 198 HD23 -0.61 -0.05 0.01 -0.04 0.89 0.20 3h4zC1 ILE 199 H -0.07 0.33 -0.69 -0.55 8.25 7.27 3h4zC1 ILE 199 HA -0.05 0.38 0.72 -0.75 4.18 4.48 3h4zC1 ILE 199 HB -0.05 0.25 0.25 -0.04 1.89 2.30 3h4zC1 ILE 199 HG12 -0.07 -0.15 -0.27 -0.04 1.49 0.97 3h4zC1 ILE 199 HG13 -0.07 0.45 0.09 -0.04 1.21 1.64 3h4zC1 ILE 199 HG23 -0.05 -0.02 0.08 -0.04 0.93 0.90 3h4zC1 ILE 199 HD13 -0.06 -0.06 -0.07 -0.04 0.88 0.65 3h4zC1 LYS 200 H -0.06 0.53 0.22 -0.55 8.42 8.56 3h4zC1 LYS 200 HA -0.05 0.05 0.51 -0.75 4.32 4.08 3h4zC1 ASN 201 H -0.12 0.52 -0.29 -0.55 8.53 8.09 3h4zC1 ASN 201 HA -0.15 0.10 0.64 -0.75 4.76 4.60 3h4zC1 ASN 201 HB2 -0.47 -0.05 0.02 -0.04 2.88 2.34 3h4zC1 ASN 201 HB3 -0.35 -0.04 0.12 -0.04 2.79 2.47 3h4zC1 ASN 201 HD21 0.03 -0.09 -0.11 -0.04 7.03 6.82 3h4zC1 ASN 201 HD22 0.13 -0.07 -0.19 -0.04 7.74 7.58 3h4zC1 LYS 202 H -0.14 0.39 -0.67 -0.55 8.42 7.44 3h4zC1 LYS 202 HA -0.09 0.15 0.30 -0.75 4.32 3.93 3h4zC1 LYS 202 HB2 -0.13 0.21 0.00 -0.04 1.87 1.91 3h4zC1 LYS 202 HB3 -0.07 -0.07 0.15 -0.04 1.79 1.77 3h4zC1 LYS 202 HG2 -0.06 -0.00 -0.03 -0.04 1.46 1.33 3h4zC1 LYS 202 HG3 -0.08 0.05 -0.34 -0.04 1.46 1.04 3h4zC1 LYS 202 HD2 -0.05 0.00 -0.06 -0.04 1.69 1.54 3h4zC1 LYS 202 HD3 -0.04 -0.04 -0.02 -0.04 1.68 1.54 3h4zC1 LYS 202 HE2 -0.03 -0.06 -0.01 -0.04 2.99 2.85 3h4zC1 LYS 202 HE3 -0.03 -0.02 -0.01 -0.04 2.99 2.88 3h4zC1 HIS 203 H -0.26 0.39 -0.09 -0.55 8.41 7.90 3h4zC1 HIS 203 HA -0.01 0.02 0.50 -0.75 4.63 4.38 3h4zC1 HIS 203 HB2 -0.04 0.04 0.18 -0.04 3.26 3.40 3h4zC1 HIS 203 HB3 0.00 -0.11 0.03 -0.04 3.20 3.09 3h4zC1 HIS 203 HD2 0.01 0.01 0.05 -0.04 6.97 6.98 3h4zC1 HIS 203 HE1 -0.01 -0.04 -0.01 -0.04 7.75 7.64 3h4zC1 MET 204 H 0.03 0.39 0.04 -0.55 8.47 8.38 3h4zC1 MET 204 HA -0.01 0.19 0.64 -0.75 4.52 4.58 3h4zC1 MET 204 HB2 -0.10 -0.08 0.05 -0.04 2.15 1.97 3h4zC1 MET 204 HB3 -0.02 0.13 -0.09 -0.04 2.03 2.01 3h4zC1 MET 204 HG2 0.02 -0.04 -0.22 -0.04 2.63 2.34 3h4zC1 MET 204 HG3 -0.06 0.00 -0.32 -0.04 2.56 2.14 3h4zC1 MET 204 HE3 0.20 0.01 -0.18 -0.04 2.10 2.10 3h4zC1 ASN 205 H -0.06 0.15 0.13 -0.55 8.53 8.21 3h4zC1 ASN 205 HA -0.05 0.31 1.08 -0.75 4.76 5.35 3h4zC1 ALA 206 H -0.05 0.32 0.11 -0.55 8.40 8.24 3h4zC1 ALA 206 HA -0.06 0.09 0.30 -0.75 4.34 3.91 3h4zC1 ALA 206 HB3 -0.03 0.04 -0.02 -0.04 1.41 1.36 3h4zC1 ASP 207 H -0.04 -0.02 -0.90 -0.55 8.40 6.89 3h4zC1 ASP 207 HA -0.02 0.16 0.71 -0.75 4.63 4.73 3h4zC1 ASP 207 HB2 -0.01 -0.03 0.00 -0.04 2.71 2.62 3h4zC1 ASP 207 HB3 -0.02 0.03 -0.03 -0.04 2.70 2.64 3h4zC1 THR 208 H -0.06 0.62 0.02 -0.55 8.28 8.31 3h4zC1 THR 208 HA -0.04 -0.05 0.39 -0.75 4.39 3.94 3h4zC1 THR 208 HB -0.13 0.05 0.17 -0.04 4.32 4.37 3h4zC1 THR 208 HG23 -0.10 0.01 -0.12 -0.04 1.22 0.97 3h4zC1 ASP 209 H -0.03 0.05 0.16 -0.55 8.40 8.04 3h4zC1 ASP 209 HA -0.03 0.06 0.92 -0.75 4.63 4.82 3h4zC1 ASP 209 HB2 0.04 -0.13 0.24 -0.04 2.71 2.82 3h4zC1 ASP 209 HB3 0.01 0.25 0.05 -0.04 2.70 2.97 3h4zC1 TYR 210 H 0.12 0.17 0.19 -0.55 8.29 8.21 3h4zC1 TYR 210 HA -0.09 0.18 0.65 -0.75 4.56 4.54 3h4zC1 TYR 210 HB2 -0.02 -0.01 0.15 -0.04 3.06 3.13 3h4zC1 TYR 210 HB3 0.02 -0.03 0.21 -0.04 2.98 3.13 3h4zC1 TYR 210 HD2 0.08 -0.01 -0.17 -0.04 7.15 7.01 3h4zC1 TYR 210 HE2 0.37 0.03 -0.02 -0.04 6.85 7.19 3h4zC1 SER 211 H 0.21 0.12 0.12 -0.55 8.46 8.36 3h4zC1 SER 211 HA 0.21 0.09 0.37 -0.75 4.49 4.41 3h4zC1 SER 211 HB2 0.09 0.11 0.06 -0.04 3.95 4.17 3h4zC1 SER 211 HB3 0.12 0.01 0.14 -0.04 3.93 4.16 3h4zC1 ILE 212 H 0.03 -0.09 -0.60 -0.55 8.25 7.05 3h4zC1 ILE 212 HA 0.02 0.16 0.44 -0.75 4.18 4.04 3h4zC1 ILE 212 HB -0.02 -0.19 0.01 -0.04 1.89 1.66 3h4zC1 ILE 212 HG12 0.01 0.11 -0.04 -0.04 1.49 1.52 3h4zC1 ILE 212 HG13 0.02 -0.14 -0.05 -0.04 1.21 1.00 3h4zC1 ILE 212 HG23 -0.01 0.05 -0.19 -0.04 0.93 0.74 3h4zC1 ILE 212 HD13 -0.00 0.02 -0.02 -0.04 0.88 0.84 3h4zC1 ALA 213 H -0.07 0.22 -0.18 -0.55 8.40 7.82 3h4zC1 ALA 213 HA -0.03 0.12 0.27 -0.75 4.34 3.94 3h4zC1 ALA 213 HB3 -0.15 0.05 -0.06 -0.04 1.41 1.21 3h4zC1 GLU 214 H -0.11 0.44 -0.23 -0.55 8.60 8.14 3h4zC1 GLU 214 HA -0.02 0.09 0.39 -0.75 4.29 3.99 3h4zC1 GLU 214 HB2 -0.13 -0.05 0.04 -0.04 2.09 1.91 3h4zC1 GLU 214 HB3 0.05 -0.03 0.13 -0.04 1.99 2.10 3h4zC1 GLU 214 HG2 0.08 0.05 -0.24 -0.04 2.34 2.19 3h4zC1 GLU 214 HG3 0.08 0.02 -0.07 -0.04 2.34 2.33 3h4zC1 ALA 215 H 0.05 0.37 0.03 -0.55 8.40 8.29 3h4zC1 ALA 215 HA 0.05 0.01 0.36 -0.75 4.34 4.00 3h4zC1 ALA 215 HB3 0.04 0.02 0.13 -0.04 1.41 1.56 3h4zC1 ALA 216 H 0.05 0.38 -0.73 -0.55 8.40 7.55 3h4zC1 ALA 216 HA 0.04 0.04 0.55 -0.75 4.34 4.21 3h4zC1 ALA 216 HB3 0.04 0.01 0.09 -0.04 1.41 1.51 3h4zC1 PHE 217 H 0.16 0.65 -0.20 -0.55 8.34 8.39 3h4zC1 PHE 217 HA 0.00 0.21 0.96 -0.75 4.62 5.04 3h4zC1 PHE 217 HB2 -0.00 0.12 -0.01 -0.04 3.15 3.22 3h4zC1 PHE 217 HB3 -0.02 -0.03 0.08 -0.04 3.06 3.05 3h4zC1 PHE 217 HD2 -0.01 0.03 -0.24 -0.04 7.28 7.01 3h4zC1 PHE 217 HE2 0.03 0.07 -0.37 -0.04 7.38 7.06 3h4zC1 PHE 217 HZ 0.05 -0.14 -0.80 -0.04 7.32 6.39 3h4zC1 ASN 218 H 0.09 0.24 0.08 -0.55 8.53 8.40 3h4zC1 ASN 218 HA -0.10 0.11 0.39 -0.75 4.76 4.41 3h4zC1 ASN 218 HB2 0.02 -0.03 0.03 -0.04 2.88 2.86 3h4zC1 ASN 218 HB3 -0.01 0.10 0.05 -0.04 2.79 2.90 3h4zC1 ASN 218 HD21 0.07 -0.13 -0.21 -0.04 7.03 6.73 3h4zC1 ASN 218 HD22 0.05 -0.01 -0.12 -0.04 7.74 7.62 3h4zC1 LYS 219 H -0.01 0.14 -0.26 -0.55 8.42 7.75 3h4zC1 LYS 219 HA -0.03 0.11 0.53 -0.75 4.32 4.18 3h4zC1 GLY 220 H -0.08 -0.05 -0.44 -0.55 8.43 7.32 3h4zC1 GLY 220 HA2 -0.17 0.11 0.21 -0.51 4.01 3.64 3h4zC1 GLY 220 HA3 -0.08 0.15 0.75 -0.51 4.01 4.32 3h4zC1 GLU 221 H -0.01 -0.06 -0.01 -0.55 8.60 7.97 3h4zC1 GLU 221 HA 0.01 0.17 0.69 -0.75 4.29 4.39 3h4zC1 GLU 221 HB2 0.04 0.10 0.26 -0.04 2.09 2.45 3h4zC1 GLU 221 HB3 0.02 0.02 0.07 -0.04 1.99 2.06 3h4zC1 GLU 221 HG2 0.00 0.07 -0.09 -0.04 2.34 2.28 3h4zC1 GLU 221 HG3 0.00 -0.14 -0.13 -0.04 2.34 2.04 3h4zC1 THR 222 H 0.10 0.74 0.42 -0.55 8.28 8.99 3h4zC1 THR 222 HA 0.09 0.11 0.89 -0.75 4.39 4.73 3h4zC1 THR 222 HB 0.10 -0.11 0.08 -0.04 4.32 4.35 3h4zC1 THR 222 HG23 0.35 0.06 -0.19 -0.04 1.22 1.39 3h4zC1 ALA 223 H 0.13 0.84 0.53 -0.55 8.40 9.34 3h4zC1 ALA 223 HA 0.18 0.09 0.73 -0.75 4.34 4.59 3h4zC1 ALA 223 HB3 0.10 -0.04 0.07 -0.04 1.41 1.49 3h4zC1 MET 224 H 0.14 0.55 0.12 -0.55 8.47 8.74 3h4zC1 MET 224 HA 0.11 0.26 1.05 -0.75 4.52 5.19 3h4zC1 MET 224 HB2 0.02 -0.17 -0.08 -0.04 2.15 1.89 3h4zC1 MET 224 HB3 -0.03 0.02 -0.01 -0.04 2.03 1.97 3h4zC1 MET 224 HG2 0.11 0.06 -0.15 -0.04 2.63 2.61 3h4zC1 MET 224 HG3 0.08 -0.05 -0.46 -0.04 2.56 2.09 3h4zC1 MET 224 HE3 -0.03 -0.01 -0.07 -0.04 2.10 1.94 3h4zC1 THR 225 H -0.18 0.55 0.30 -0.55 8.28 8.41 3h4zC1 THR 225 HA -0.01 0.03 0.45 -0.75 4.39 4.11 3h4zC1 THR 225 HB -0.43 0.21 -0.14 -0.04 4.32 3.92 3h4zC1 THR 225 HG23 -0.74 0.03 -0.16 -0.04 1.22 0.31 3h4zC1 ILE 226 H 0.04 0.20 0.12 -0.55 8.25 8.06 3h4zC1 ILE 226 HA -0.06 0.37 1.00 -0.75 4.18 4.74 3h4zC1 ILE 226 HB -0.16 -0.11 0.11 -0.04 1.89 1.68 3h4zC1 ILE 226 HG12 -0.21 0.13 -0.07 -0.04 1.49 1.30 3h4zC1 ILE 226 HG13 -0.24 -0.11 -0.56 -0.04 1.21 0.25 3h4zC1 ILE 226 HG23 -0.04 0.03 -0.12 -0.04 0.93 0.75 3h4zC1 ILE 226 HD13 -0.69 -0.00 -0.12 -0.04 0.88 0.03 3h4zC1 ASN 227 H -0.03 0.43 0.23 -0.55 8.53 8.61 3h4zC1 ASN 227 HA 0.28 0.07 0.64 -0.75 4.76 4.99 3h4zC1 ASN 227 HB2 -0.02 0.02 -0.30 -0.04 2.88 2.54 3h4zC1 ASN 227 HB3 -0.17 0.12 -0.05 -0.04 2.79 2.65 3h4zC1 ASN 227 HD21 -0.19 -0.07 0.01 -0.04 7.03 6.73 3h4zC1 ASN 227 HD22 -0.09 0.08 -0.07 -0.04 7.74 7.62 3h4zC1 GLY 228 H -0.92 0.09 0.11 -0.55 8.43 7.15 3h4zC1 GLY 228 HA2 -0.88 0.30 0.73 -0.51 4.01 3.65 3h4zC1 GLY 228 HA3 -3.22 -0.02 0.25 -0.51 4.01 0.51 3h4zC1 PRO 229 HA -3.59 0.11 0.34 -0.51 4.44 0.78 3h4zC1 PRO 229 HB2 -0.60 0.10 -0.29 -0.04 2.28 1.44 3h4zC1 PRO 229 HB3 -1.54 0.02 -0.04 -0.04 2.02 0.42 3h4zC1 PRO 229 HG2 -0.30 0.04 0.05 -0.04 2.03 1.78 3h4zC1 PRO 229 HG3 -0.55 0.15 0.05 -0.04 2.03 1.64 3h4zC1 PRO 229 HD2 -0.56 0.07 0.10 -0.04 3.68 3.25 3h4zC1 PRO 229 HD3 -0.55 0.25 0.16 -0.04 3.65 3.47 3h4zC1 TRP 230 H -0.58 0.04 -0.41 -0.55 7.97 6.47 3h4zC1 TRP 230 HA -0.18 0.15 0.30 -0.75 4.62 4.14 3h4zC1 TRP 230 HB2 -0.09 0.18 0.07 -0.04 3.23 3.35 3h4zC1 TRP 230 HB3 -0.13 0.03 0.02 -0.04 3.23 3.10 3h4zC1 TRP 230 HD1 0.04 0.10 -0.42 -0.04 7.22 6.89 3h4zC1 TRP 230 HE1 0.30 -0.01 -0.03 -0.04 10.20 10.42 3h4zC1 TRP 230 HE3 -0.14 0.13 -0.07 -0.04 7.59 7.46 3h4zC1 TRP 230 HZ2 0.17 0.02 -0.02 -0.04 7.44 7.57 3h4zC1 TRP 230 HZ3 -0.07 0.01 -0.07 -0.04 7.13 6.96 3h4zC1 TRP 230 HH2 0.11 0.04 -0.10 -0.04 7.19 7.20 3h4zC1 ALA 231 H -0.83 0.53 -0.57 -0.55 8.40 6.98 3h4zC1 ALA 231 HA 0.16 0.15 0.82 -0.75 4.34 4.72 3h4zC1 ALA 231 HB3 -0.02 0.01 0.02 -0.04 1.41 1.37 3h4zC1 TRP 232 H -0.23 0.66 -0.01 -0.55 7.97 7.84 3h4zC1 TRP 232 HA -0.10 0.08 0.40 -0.75 4.62 4.25 3h4zC1 TRP 232 HB2 0.07 0.07 0.10 -0.04 3.23 3.43 3h4zC1 TRP 232 HB3 0.23 -0.00 0.09 -0.04 3.23 3.51 3h4zC1 TRP 232 HD1 0.08 0.00 -0.20 -0.04 7.22 7.07 3h4zC1 TRP 232 HE1 -0.03 0.03 -0.21 -0.04 10.20 9.94 3h4zC1 TRP 232 HE3 0.04 0.04 0.03 -0.04 7.59 7.65 3h4zC1 TRP 232 HZ2 -0.06 0.09 -0.07 -0.04 7.44 7.36 3h4zC1 TRP 232 HZ3 -0.01 -0.01 -0.06 -0.04 7.13 7.01 3h4zC1 TRP 232 HH2 -0.03 0.07 -0.34 -0.04 7.19 6.85 3h4zC1 SER 233 H 0.15 0.16 -0.36 -0.55 8.46 7.87 3h4zC1 SER 233 HA 0.13 0.10 0.50 -0.75 4.49 4.46 3h4zC1 SER 233 HB2 0.06 0.09 0.11 -0.04 3.95 4.17 3h4zC1 SER 233 HB3 0.10 0.05 0.18 -0.04 3.93 4.22 3h4zC1 ASN 234 H 0.08 0.14 -0.09 -0.55 8.53 8.12 3h4zC1 ASN 234 HA 0.04 0.10 0.35 -0.75 4.76 4.49 3h4zC1 ASN 234 HB2 0.09 0.03 0.06 -0.04 2.88 3.02 3h4zC1 ASN 234 HB3 0.06 0.02 -0.03 -0.04 2.79 2.80 3h4zC1 ASN 234 HD21 0.09 0.01 0.03 -0.04 7.03 7.12 3h4zC1 ASN 234 HD22 0.15 -0.02 0.07 -0.04 7.74 7.91 3h4zC1 ILE 235 H -0.02 0.18 -0.48 -0.55 8.25 7.38 3h4zC1 ILE 235 HA -0.09 0.11 0.44 -0.75 4.18 3.89 3h4zC1 ILE 235 HB -0.65 0.01 0.02 -0.04 1.89 1.23 3h4zC1 ILE 235 HG12 0.05 -0.02 -0.14 -0.04 1.49 1.34 3h4zC1 ILE 235 HG13 -0.02 0.12 -0.02 -0.04 1.21 1.24 3h4zC1 ILE 235 HG23 -0.57 0.02 -0.17 -0.04 0.93 0.16 3h4zC1 ILE 235 HD13 0.04 -0.03 -0.18 -0.04 0.88 0.67 3h4zC1 ASP 236 H -0.02 0.48 -0.11 -0.55 8.40 8.20 3h4zC1 ASP 236 HA 0.14 0.03 0.49 -0.75 4.63 4.53 3h4zC1 ASP 236 HB2 0.11 0.11 0.34 -0.04 2.71 3.22 3h4zC1 ASP 236 HB3 0.09 -0.06 0.05 -0.04 2.70 2.75 3h4zC1 THR 237 H 0.04 0.55 -0.04 -0.55 8.28 8.27 3h4zC1 THR 237 HA 0.02 0.02 0.49 -0.75 4.39 4.17 3h4zC1 THR 237 HB 0.02 -0.05 0.19 -0.04 4.32 4.44 3h4zC1 THR 237 HG23 0.04 -0.01 0.07 -0.04 1.22 1.28 3h4zC1 SER 238 H -0.00 0.46 -1.04 -0.55 8.46 7.34 3h4zC1 SER 238 HA -0.01 0.12 0.86 -0.75 4.49 4.70 3h4zC1 SER 238 HB2 -0.02 0.41 0.10 -0.04 3.95 4.40 3h4zC1 SER 238 HB3 -0.06 0.27 0.16 -0.04 3.93 4.26 3h4zC1 ALA 239 H 0.00 0.24 0.17 -0.55 8.40 8.26 3h4zC1 ALA 239 HA -0.00 -0.03 0.35 -0.75 4.34 3.90 3h4zC1 ALA 239 HB3 -0.01 0.05 0.05 -0.04 1.41 1.46 3h4zC1 VAL 240 H -0.02 0.24 -0.14 -0.55 8.24 7.76 3h4zC1 VAL 240 HA -0.06 0.16 0.96 -0.75 4.13 4.44 3h4zC1 VAL 240 HB -0.14 -0.05 -0.02 -0.04 2.12 1.87 3h4zC1 VAL 240 HG13 -0.30 0.00 -0.23 -0.04 0.97 0.41 3h4zC1 VAL 240 HG23 -0.12 0.05 -0.15 -0.04 0.95 0.68 3h4zC1 ASN 241 H -0.05 0.16 0.11 -0.55 8.53 8.21 3h4zC1 ASN 241 HA 0.04 0.09 0.65 -0.75 4.76 4.78 3h4zC1 ASN 241 HB2 -0.03 0.03 0.06 -0.04 2.88 2.89 3h4zC1 ASN 241 HB3 -0.05 -0.04 0.15 -0.04 2.79 2.81 3h4zC1 ASN 241 HD21 -0.14 -0.01 -0.09 -0.04 7.03 6.75 3h4zC1 ASN 241 HD22 -0.10 0.02 0.06 -0.04 7.74 7.68 3h4zC1 TYR 242 H 0.05 0.24 0.24 -0.55 8.29 8.28 3h4zC1 TYR 242 HA -0.19 0.20 1.12 -0.75 4.56 4.94 3h4zC1 TYR 242 HB2 0.13 0.08 0.01 -0.04 3.06 3.24 3h4zC1 TYR 242 HB3 0.04 0.03 -0.28 -0.04 2.98 2.72 3h4zC1 TYR 242 HD2 -0.02 0.12 -0.04 -0.04 7.15 7.17 3h4zC1 TYR 242 HE2 -0.19 -0.04 -0.04 -0.04 6.85 6.54 3h4zC1 GLY 243 H -0.58 0.40 0.29 -0.55 8.43 7.98 3h4zC1 GLY 243 HA2 -0.47 0.16 0.92 -0.51 4.01 4.11 3h4zC1 GLY 243 HA3 -0.52 0.04 0.33 -0.51 4.01 3.35 3h4zC1 VAL 244 H -0.14 0.21 0.14 -0.55 8.24 7.90 3h4zC1 VAL 244 HA 0.08 0.37 0.89 -0.75 4.13 4.70 3h4zC1 VAL 244 HB -0.24 -0.12 0.08 -0.04 2.12 1.81 3h4zC1 VAL 244 HG13 0.13 0.00 -0.17 -0.04 0.97 0.90 3h4zC1 VAL 244 HG23 -0.28 -0.01 -0.29 -0.04 0.95 0.33 3h4zC1 THR 245 H 0.09 0.56 0.25 -0.55 8.28 8.63 3h4zC1 THR 245 HA 0.01 0.13 0.83 -0.75 4.39 4.60 3h4zC1 THR 245 HB 0.04 0.00 -0.10 -0.04 4.32 4.22 3h4zC1 THR 245 HG23 -0.08 0.09 -0.07 -0.04 1.22 1.12 3h4zC1 VAL 246 H -0.04 0.10 0.13 -0.55 8.24 7.88 3h4zC1 VAL 246 HA -0.02 0.07 0.43 -0.75 4.13 3.86 3h4zC1 VAL 246 HB -0.05 0.02 -0.02 -0.04 2.12 2.03 3h4zC1 VAL 246 HG13 -0.02 0.08 0.04 -0.04 0.97 1.03 3h4zC1 VAL 246 HG23 -0.03 -0.01 0.06 -0.04 0.95 0.93 3h4zC1 LEU 247 H -0.03 0.15 0.13 -0.55 8.37 8.08 3h4zC1 LEU 247 HA -0.14 0.11 0.58 -0.75 4.35 4.15 3h4zC1 LEU 247 HB2 0.02 0.03 0.05 -0.04 1.64 1.70 3h4zC1 LEU 247 HB3 0.04 0.04 -0.06 -0.04 1.64 1.63 3h4zC1 LEU 247 HG -0.02 -0.01 -0.04 -0.04 1.64 1.52 3h4zC1 LEU 247 HD13 0.01 0.01 -0.17 -0.04 0.93 0.75 3h4zC1 LEU 247 HD23 -0.09 -0.01 -0.31 -0.04 0.89 0.45 3h4zC1 PRO 248 HA -0.17 0.08 0.03 -0.51 4.44 3.86 3h4zC1 PRO 248 HB2 -1.78 -0.03 -0.25 -0.04 2.28 0.17 3h4zC1 PRO 248 HB3 -0.51 -0.12 -0.55 -0.04 2.02 0.80 3h4zC1 PRO 248 HG2 -0.93 -0.02 -0.12 -0.04 2.03 0.93 3h4zC1 PRO 248 HG3 -0.43 0.20 -0.15 -0.04 2.03 1.60 3h4zC1 PRO 248 HD2 -0.66 0.04 0.05 -0.04 3.68 3.07 3h4zC1 PRO 248 HD3 -0.35 0.19 0.15 -0.04 3.65 3.59 3h4zC1 THR 249 H 0.02 0.50 0.13 -0.55 8.28 8.38 3h4zC1 THR 249 HA 0.18 0.18 0.71 -0.75 4.39 4.72 3h4zC1 THR 249 HB 0.05 0.01 -0.20 -0.04 4.32 4.13 3h4zC1 THR 249 HG23 0.01 0.02 -0.05 -0.04 1.22 1.16 3h4zC1 PHE 250 H 0.17 1.05 0.26 -0.55 8.34 9.26 3h4zC1 PHE 250 HA -0.05 -0.05 0.91 -0.75 4.62 4.68 3h4zC1 PHE 250 HB2 -0.30 0.01 -0.12 -0.04 3.15 2.70 3h4zC1 PHE 250 HB3 -0.17 0.13 0.04 -0.04 3.06 3.02 3h4zC1 PHE 250 HD2 -0.34 -0.03 -0.05 -0.04 7.28 6.82 3h4zC1 PHE 250 HE2 -0.40 -0.04 -0.14 -0.04 7.38 6.77 3h4zC1 PHE 250 HZ -0.12 0.27 -0.22 -0.04 7.32 7.22 3h4zC1 LYS 251 H -0.49 0.10 0.12 -0.55 8.42 7.60 3h4zC1 LYS 251 HA -0.36 0.02 0.33 -0.75 4.32 3.55 3h4zC1 LYS 251 HB2 -0.43 0.24 -0.02 -0.04 1.87 1.62 3h4zC1 LYS 251 HB3 -0.32 0.01 0.20 -0.04 1.79 1.64 3h4zC1 LYS 251 HG2 -0.70 -0.01 0.02 -0.04 1.46 0.74 3h4zC1 LYS 251 HG3 -2.26 -0.07 -0.19 -0.04 1.46 -1.09 3h4zC1 LYS 251 HD2 -0.41 0.01 -0.05 -0.04 1.69 1.19 3h4zC1 LYS 251 HD3 -0.34 0.06 -0.07 -0.04 1.68 1.29 3h4zC1 LYS 251 HE2 -0.21 0.02 0.02 -0.04 2.99 2.79 3h4zC1 LYS 251 HE3 -0.22 -0.01 0.00 -0.04 2.99 2.73 3h4zC1 GLY 252 H -0.11 -0.01 -0.28 -0.55 8.43 7.48 3h4zC1 GLY 252 HA2 -0.05 -0.03 0.22 -0.51 4.01 3.64 3h4zC1 GLY 252 HA3 -0.07 0.08 0.36 -0.51 4.01 3.87 3h4zC1 GLN 253 H -0.06 0.40 -0.72 -0.55 8.47 7.55 3h4zC1 GLN 253 HA -0.02 0.17 0.87 -0.75 4.36 4.63 3h4zC1 GLN 253 HB2 0.00 0.03 0.00 -0.04 2.15 2.15 3h4zC1 GLN 253 HB3 -0.01 0.18 0.15 -0.04 2.02 2.29 3h4zC1 GLN 253 HG2 -0.08 0.17 -0.07 -0.04 2.40 2.38 3h4zC1 GLN 253 HG3 -0.04 -0.13 0.04 -0.04 2.39 2.22 3h4zC1 GLN 253 HE21 -0.03 -0.07 -0.04 -0.04 6.97 6.79 3h4zC1 GLN 253 HE22 -0.06 0.09 -0.13 -0.04 7.69 7.55 3h4zC1 PRO 254 HA 0.05 -0.05 0.59 -0.51 4.44 4.51 3h4zC1 PRO 254 HB2 0.01 0.13 0.04 -0.04 2.28 2.42 3h4zC1 PRO 254 HB3 0.00 -0.06 0.10 -0.04 2.02 2.02 3h4zC1 PRO 254 HG2 -0.00 0.15 0.17 -0.04 2.03 2.31 3h4zC1 PRO 254 HG3 -0.01 -0.02 0.12 -0.04 2.03 2.09 3h4zC1 PRO 254 HD2 -0.01 0.10 0.29 -0.04 3.68 4.02 3h4zC1 PRO 254 HD3 -0.01 0.11 0.22 -0.04 3.65 3.94 3h4zC1 SER 255 H 0.10 0.12 0.09 -0.55 8.46 8.23 3h4zC1 SER 255 HA -0.00 0.04 0.36 -0.75 4.49 4.13 3h4zC1 SER 255 HB2 0.09 -0.06 -0.03 -0.04 3.95 3.91 3h4zC1 SER 255 HB3 0.07 -0.13 -0.15 -0.04 3.93 3.68 3h4zC1 LYS 256 H -0.12 0.22 0.03 -0.55 8.42 7.99 3h4zC1 LYS 256 HA -0.02 0.33 0.71 -0.75 4.32 4.59 3h4zC1 LYS 256 HB2 -0.15 -0.12 -0.05 -0.04 1.87 1.52 3h4zC1 LYS 256 HB3 -0.05 -0.08 0.07 -0.04 1.79 1.69 3h4zC1 LYS 256 HG2 -0.02 0.46 0.05 -0.04 1.46 1.90 3h4zC1 LYS 256 HG3 -0.05 0.23 -0.22 -0.04 1.46 1.39 3h4zC1 LYS 256 HD2 -0.06 0.03 -0.08 -0.04 1.69 1.54 3h4zC1 LYS 256 HD3 -0.02 -0.11 -0.01 -0.04 1.68 1.49 3h4zC1 LYS 256 HE2 -0.01 -0.19 0.02 -0.04 2.99 2.77 3h4zC1 LYS 256 HE3 -0.01 0.01 0.05 -0.04 2.99 3.00 3h4zC1 PRO 257 HA 0.18 -0.03 0.38 -0.51 4.44 4.46 3h4zC1 PRO 257 HB2 0.02 -0.04 -0.04 -0.04 2.28 2.18 3h4zC1 PRO 257 HB3 0.00 -0.02 0.02 -0.04 2.02 1.97 3h4zC1 PRO 257 HG2 0.07 0.03 -0.08 -0.04 2.03 2.01 3h4zC1 PRO 257 HG3 0.02 0.10 -0.06 -0.04 2.03 2.04 3h4zC1 PRO 257 HD2 0.02 0.31 -0.06 -0.04 3.68 3.90 3h4zC1 PRO 257 HD3 0.01 0.04 -0.32 -0.04 3.65 3.34 3h4zC1 PHE 258 H 0.53 0.06 0.13 -0.55 8.34 8.51 3h4zC1 PHE 258 HA 0.26 0.33 0.71 -0.75 4.62 5.17 3h4zC1 PHE 258 HB2 0.53 -0.08 0.17 -0.04 3.15 3.72 3h4zC1 PHE 258 HB3 0.40 -0.06 -0.01 -0.04 3.06 3.35 3h4zC1 PHE 258 HD2 -0.21 0.15 -0.05 -0.04 7.28 7.13 3h4zC1 PHE 258 HE2 -0.88 0.01 -0.07 -0.04 7.38 6.40 3h4zC1 PHE 258 HZ -0.52 -0.19 0.04 -0.04 7.32 6.61 3h4zC1 VAL 259 H 0.38 0.86 0.24 -0.55 8.24 9.17 3h4zC1 VAL 259 HA 0.26 0.14 0.67 -0.75 4.13 4.45 3h4zC1 VAL 259 HB 0.20 -0.14 -0.09 -0.04 2.12 2.04 3h4zC1 VAL 259 HG13 0.15 0.01 -0.13 -0.04 0.97 0.96 3h4zC1 VAL 259 HG23 0.12 0.05 -0.08 -0.04 0.95 1.00 3h4zC1 GLY 260 H 0.25 0.57 0.39 -0.55 8.43 9.10 3h4zC1 GLY 260 HA2 0.36 0.13 1.01 -0.51 4.01 5.00 3h4zC1 GLY 260 HA3 0.12 -0.05 0.35 -0.51 4.01 3.92 3h4zC1 VAL 261 H 0.63 0.03 0.20 -0.55 8.24 8.56 3h4zC1 VAL 261 HA 0.07 0.40 1.10 -0.75 4.13 4.94 3h4zC1 VAL 261 HB -0.16 -0.06 0.16 -0.04 2.12 2.01 3h4zC1 VAL 261 HG13 -0.16 0.03 -0.18 -0.04 0.97 0.62 3h4zC1 VAL 261 HG23 -0.12 0.03 -0.18 -0.04 0.95 0.64 3h4zC1 LEU 262 H 0.03 0.48 0.18 -0.55 8.37 8.50 3h4zC1 LEU 262 HA -0.01 -0.02 0.24 -0.75 4.35 3.80 3h4zC1 LEU 262 HB2 0.00 0.02 0.04 -0.04 1.64 1.66 3h4zC1 LEU 262 HB3 0.05 -0.09 0.17 -0.04 1.64 1.73 3h4zC1 LEU 262 HG 0.20 0.06 -0.27 -0.04 1.64 1.59 3h4zC1 LEU 262 HD13 0.10 -0.01 -0.15 -0.04 0.93 0.82 3h4zC1 LEU 262 HD23 0.15 0.00 -0.11 -0.04 0.89 0.90 3h4zC1 SER 263 H 0.01 0.72 0.39 -0.55 8.46 9.03 3h4zC1 SER 263 HA -0.24 0.24 0.99 -0.75 4.49 4.72 3h4zC1 SER 263 HB2 -0.93 0.02 -0.03 -0.04 3.95 2.97 3h4zC1 SER 263 HB3 -0.59 -0.01 -0.22 -0.04 3.93 3.07 3h4zC1 ALA 264 H -0.29 0.58 0.23 -0.55 8.40 8.37 3h4zC1 ALA 264 HA -0.61 0.24 0.95 -0.75 4.34 4.16 3h4zC1 ALA 264 HB3 -0.64 -0.01 0.03 -0.04 1.41 0.75 3h4zC1 GLY 265 H 0.11 0.50 0.31 -0.55 8.43 8.80 3h4zC1 GLY 265 HA2 0.14 0.21 0.99 -0.51 4.01 4.83 3h4zC1 GLY 265 HA3 0.34 0.07 0.39 -0.51 4.01 4.31 3h4zC1 ILE 266 H 0.16 0.29 0.20 -0.55 8.25 8.35 3h4zC1 ILE 266 HA 0.06 0.36 1.12 -0.75 4.18 4.96 3h4zC1 ILE 266 HB 0.11 0.00 0.09 -0.04 1.89 2.05 3h4zC1 ILE 266 HG12 0.02 0.03 -0.11 -0.04 1.49 1.40 3h4zC1 ILE 266 HG13 0.09 -0.08 -0.46 -0.04 1.21 0.72 3h4zC1 ILE 266 HG23 0.04 0.03 -0.12 -0.04 0.93 0.83 3h4zC1 ILE 266 HD13 0.06 0.00 -0.10 -0.04 0.88 0.81 3h4zC1 ASN 267 H 0.05 0.86 0.29 -0.55 8.53 9.18 3h4zC1 ASN 267 HA 0.14 0.13 0.49 -0.75 4.76 4.76 3h4zC1 ASN 267 HB2 0.01 0.27 0.20 -0.04 2.88 3.33 3h4zC1 ASN 267 HB3 -0.04 -0.14 0.07 -0.04 2.79 2.64 3h4zC1 ASN 267 HD21 -0.36 0.10 -0.03 -0.04 7.03 6.70 3h4zC1 ASN 267 HD22 -0.16 0.32 -0.06 -0.04 7.74 7.81 3h4zC1 ALA 268 H 0.05 0.90 0.23 -0.55 8.40 9.03 3h4zC1 ALA 268 HA 0.04 -0.03 0.19 -0.75 4.34 3.79 3h4zC1 ALA 268 HB3 0.03 0.01 -0.34 -0.04 1.41 1.07 3h4zC1 ALA 269 H -0.04 0.03 -0.74 -0.55 8.40 7.11 3h4zC1 ALA 269 HA -0.02 0.17 0.77 -0.75 4.34 4.50 3h4zC1 ALA 269 HB3 -0.06 0.03 0.03 -0.04 1.41 1.37 3h4zC1 SER 270 H -0.01 0.50 -0.24 -0.55 8.46 8.16 3h4zC1 SER 270 HA -0.05 0.34 0.80 -0.75 4.49 4.83 3h4zC1 SER 270 HB2 -0.04 0.07 0.13 -0.04 3.95 4.07 3h4zC1 SER 270 HB3 -0.01 0.03 0.16 -0.04 3.93 4.07 3h4zC1 PRO 271 HA -0.01 0.11 0.45 -0.51 4.44 4.49 3h4zC1 PRO 271 HB2 -0.01 -0.07 0.12 -0.04 2.28 2.27 3h4zC1 PRO 271 HB3 -0.02 0.08 0.01 -0.04 2.02 2.05 3h4zC1 PRO 271 HG2 -0.03 0.04 -0.34 -0.04 2.03 1.67 3h4zC1 PRO 271 HG3 -0.03 -0.09 -0.60 -0.04 2.03 1.27 3h4zC1 PRO 271 HD2 -0.04 0.23 0.10 -0.04 3.68 3.92 3h4zC1 PRO 271 HD3 -0.04 0.32 0.06 -0.04 3.65 3.96 3h4zC1 ASN 272 H -0.02 0.14 -0.90 -0.55 8.53 7.20 3h4zC1 ASN 272 HA 0.01 0.16 0.84 -0.75 4.76 5.02 3h4zC1 ASN 272 HB2 -0.04 0.01 0.08 -0.04 2.88 2.88 3h4zC1 ASN 272 HB3 -0.01 -0.06 0.17 -0.04 2.79 2.85 3h4zC1 ASN 272 HD21 -0.04 0.57 0.20 -0.04 7.03 7.72 3h4zC1 ASN 272 HD22 -0.05 -0.14 0.05 -0.04 7.74 7.56 3h4zC1 LYS 273 H 0.00 0.43 -0.06 -0.55 8.42 8.24 3h4zC1 LYS 273 HA 0.01 0.07 0.35 -0.75 4.32 3.99 3h4zC1 LYS 273 HB2 0.02 -0.03 0.08 -0.04 1.87 1.90 3h4zC1 LYS 273 HB3 0.04 0.00 -0.03 -0.04 1.79 1.76 3h4zC1 LYS 273 HG2 0.03 -0.01 0.03 -0.04 1.46 1.47 3h4zC1 LYS 273 HG3 0.01 0.41 0.17 -0.04 1.46 2.01 3h4zC1 LYS 273 HD2 0.02 -0.03 0.01 -0.04 1.69 1.65 3h4zC1 LYS 273 HD3 0.04 -0.06 -0.02 -0.04 1.68 1.60 3h4zC1 LYS 273 HE2 0.02 -0.02 0.02 -0.04 2.99 2.98 3h4zC1 LYS 273 HE3 0.03 -0.05 -0.03 -0.04 2.99 2.90 3h4zC1 GLU 274 H 0.03 0.15 -0.29 -0.55 8.60 7.94 3h4zC1 GLU 274 HA 0.04 0.09 0.52 -0.75 4.29 4.19 3h4zC1 GLU 274 HB2 0.04 0.02 0.02 -0.04 2.09 2.13 3h4zC1 GLU 274 HB3 0.05 0.03 -0.03 -0.04 1.99 2.01 3h4zC1 GLU 274 HG2 0.03 -0.01 -0.04 -0.04 2.34 2.28 3h4zC1 GLU 274 HG3 0.03 0.05 -0.01 -0.04 2.34 2.37 3h4zC1 LEU 275 H 0.04 0.24 -0.25 -0.55 8.37 7.86 3h4zC1 LEU 275 HA 0.23 0.08 0.49 -0.75 4.35 4.40 3h4zC1 LEU 275 HB2 0.02 0.13 0.08 -0.04 1.64 1.83 3h4zC1 LEU 275 HB3 0.24 0.02 -0.01 -0.04 1.64 1.85 3h4zC1 LEU 275 HG 0.06 -0.11 0.05 -0.04 1.64 1.60 3h4zC1 LEU 275 HD13 0.06 0.03 -0.02 -0.04 0.93 0.96 3h4zC1 LEU 275 HD23 0.12 0.01 -0.06 -0.04 0.89 0.92 3h4zC1 ALA 276 H -0.03 0.50 -0.19 -0.55 8.40 8.14 3h4zC1 ALA 276 HA -0.16 0.05 0.41 -0.75 4.34 3.88 3h4zC1 ALA 276 HB3 -0.04 0.04 -0.00 -0.04 1.41 1.37 3h4zC1 LYS 277 H -0.01 0.44 -0.13 -0.55 8.42 8.17 3h4zC1 LYS 277 HA -0.18 -0.01 0.31 -0.75 4.32 3.69 3h4zC1 LYS 277 HB2 0.03 0.12 0.10 -0.04 1.87 2.08 3h4zC1 LYS 277 HB3 0.04 -0.04 -0.00 -0.04 1.79 1.74 3h4zC1 LYS 277 HG2 0.11 -0.08 0.01 -0.04 1.46 1.46 3h4zC1 LYS 277 HG3 0.04 0.47 0.20 -0.04 1.46 2.13 3h4zC1 LYS 277 HD2 0.05 -0.04 -0.01 -0.04 1.69 1.64 3h4zC1 LYS 277 HD3 0.08 -0.03 -0.02 -0.04 1.68 1.67 3h4zC1 LYS 277 HE2 0.09 -0.01 -0.07 -0.04 2.99 2.96 3h4zC1 LYS 277 HE3 0.06 0.01 -0.26 -0.04 2.99 2.76 3h4zC1 GLU 278 H 0.07 0.41 -0.35 -0.55 8.60 8.18 3h4zC1 GLU 278 HA 0.11 0.01 0.36 -0.75 4.29 4.02 3h4zC1 GLU 278 HB2 0.20 0.08 0.10 -0.04 2.09 2.43 3h4zC1 GLU 278 HB3 0.49 0.11 0.04 -0.04 1.99 2.60 3h4zC1 GLU 278 HG2 0.60 -0.04 -0.12 -0.04 2.34 2.74 3h4zC1 GLU 278 HG3 0.21 -0.04 0.01 -0.04 2.34 2.48 3h4zC1 PHE 279 H -0.03 0.42 -0.30 -0.55 8.34 7.88 3h4zC1 PHE 279 HA -0.15 0.01 0.39 -0.75 4.62 4.12 3h4zC1 PHE 279 HB2 -1.50 0.09 0.11 -0.04 3.15 1.81 3h4zC1 PHE 279 HB3 -0.46 0.14 0.19 -0.04 3.06 2.89 3h4zC1 PHE 279 HD2 -0.34 -0.01 -0.05 -0.04 7.28 6.84 3h4zC1 PHE 279 HE2 -0.01 0.18 -0.27 -0.04 7.38 7.24 3h4zC1 PHE 279 HZ -0.03 0.03 -0.24 -0.04 7.32 7.04 3h4zC1 LEU 280 H -0.12 0.69 -0.11 -0.55 8.37 8.27 3h4zC1 LEU 280 HA -0.34 -0.05 0.48 -0.75 4.35 3.69 3h4zC1 LEU 280 HB2 -0.63 0.05 0.09 -0.04 1.64 1.10 3h4zC1 LEU 280 HB3 -0.44 -0.04 -0.04 -0.04 1.64 1.08 3h4zC1 LEU 280 HG -0.10 0.25 -0.04 -0.04 1.64 1.71 3h4zC1 LEU 280 HD13 -0.42 -0.01 -0.15 -0.04 0.93 0.31 3h4zC1 LEU 280 HD23 0.02 -0.03 -0.11 -0.04 0.89 0.74 3h4zC1 GLU 281 H -0.22 0.66 0.05 -0.55 8.60 8.55 3h4zC1 GLU 281 HA -0.26 0.03 0.41 -0.75 4.29 3.71 3h4zC1 GLU 281 HB2 -0.23 0.07 0.06 -0.04 2.09 1.95 3h4zC1 GLU 281 HB3 -0.83 -0.06 0.05 -0.04 1.99 1.11 3h4zC1 GLU 281 HG2 -0.11 -0.05 0.01 -0.04 2.34 2.14 3h4zC1 GLU 281 HG3 -0.17 0.14 0.12 -0.04 2.34 2.39 3h4zC1 ASN 282 H 0.02 0.37 -0.30 -0.55 8.53 8.07 3h4zC1 ASN 282 HA -0.06 0.22 0.99 -0.75 4.76 5.16 3h4zC1 ASN 282 HB2 0.02 0.20 0.05 -0.04 2.88 3.11 3h4zC1 ASN 282 HB3 -0.23 -0.05 -0.02 -0.04 2.79 2.46 3h4zC1 ASN 282 HD21 -0.00 -0.05 -0.05 -0.04 7.03 6.88 3h4zC1 ASN 282 HD22 0.10 0.06 0.03 -0.04 7.74 7.89 3h4zC1 TYR 283 H 0.18 0.31 -0.06 -0.55 8.29 8.17 3h4zC1 TYR 283 HA -0.02 0.13 0.81 -0.75 4.56 4.72 3h4zC1 TYR 283 HB2 -0.34 0.25 0.24 -0.04 3.06 3.17 3h4zC1 TYR 283 HB3 0.00 -0.04 0.02 -0.04 2.98 2.92 3h4zC1 TYR 283 HD2 0.16 0.10 -0.03 -0.04 7.15 7.34 3h4zC1 TYR 283 HE2 0.20 0.05 -0.23 -0.04 6.85 6.82 3h4zC1 LEU 284 H -0.27 0.48 0.18 -0.55 8.37 8.21 3h4zC1 LEU 284 HA -0.11 0.03 0.52 -0.75 4.35 4.02 3h4zC1 LEU 284 HB2 -0.50 0.02 0.00 -0.04 1.64 1.12 3h4zC1 LEU 284 HB3 -0.20 0.05 0.21 -0.04 1.64 1.66 3h4zC1 LEU 284 HG 0.02 -0.01 -0.28 -0.04 1.64 1.33 3h4zC1 LEU 284 HD13 0.00 -0.02 -0.15 -0.04 0.93 0.72 3h4zC1 LEU 284 HD23 0.23 -0.00 -0.11 -0.04 0.89 0.96 3h4zC1 LEU 285 H -0.00 0.61 0.07 -0.55 8.37 8.50 3h4zC1 LEU 285 HA 0.04 -0.04 0.40 -0.75 4.35 4.00 3h4zC1 LEU 285 HB2 0.34 0.19 0.17 -0.04 1.64 2.29 3h4zC1 LEU 285 HB3 0.23 -0.06 0.13 -0.04 1.64 1.90 3h4zC1 LEU 285 HG 0.10 -0.05 -0.01 -0.04 1.64 1.65 3h4zC1 LEU 285 HD13 0.40 -0.00 -0.10 -0.04 0.93 1.19 3h4zC1 LEU 285 HD23 0.02 0.00 0.01 -0.04 0.89 0.88 3h4zC1 THR 286 H -0.03 0.61 0.44 -0.55 8.28 8.75 3h4zC1 THR 286 HA 0.01 0.17 0.67 -0.75 4.39 4.48 3h4zC1 THR 286 HB -0.04 -0.12 0.09 -0.04 4.32 4.22 3h4zC1 THR 286 HG23 -0.00 0.07 -0.47 -0.04 1.22 0.78 3h4zC1 ASP 287 H -0.05 0.24 0.14 -0.55 8.40 8.17 3h4zC1 ASP 287 HA -0.37 0.05 0.40 -0.75 4.63 3.95 3h4zC1 ASP 287 HB2 -0.05 0.03 0.08 -0.04 2.71 2.74 3h4zC1 ASP 287 HB3 -0.05 0.08 0.01 -0.04 2.70 2.70 3h4zC1 GLU 288 H -0.10 0.08 -0.19 -0.55 8.60 7.84 3h4zC1 GLU 288 HA -0.10 0.16 0.62 -0.75 4.29 4.21 3h4zC1 GLY 289 H -0.09 0.02 -0.17 -0.55 8.43 7.64 3h4zC1 GLY 289 HA2 -0.02 0.04 0.52 -0.51 4.01 4.03 3h4zC1 GLY 289 HA3 -0.05 0.41 0.51 -0.51 4.01 4.37 3h4zC1 LEU 290 H -0.14 0.59 0.20 -0.55 8.37 8.48 3h4zC1 LEU 290 HA 0.01 0.01 0.32 -0.75 4.35 3.94 3h4zC1 LEU 290 HB2 -0.37 0.08 0.06 -0.04 1.64 1.37 3h4zC1 LEU 290 HB3 0.17 -0.07 0.01 -0.04 1.64 1.71 3h4zC1 LEU 290 HG -0.02 0.09 0.18 -0.04 1.64 1.84 3h4zC1 LEU 290 HD13 0.12 -0.03 -0.03 -0.04 0.93 0.95 3h4zC1 LEU 290 HD23 0.07 -0.01 -0.05 -0.04 0.89 0.86 3h4zC1 GLU 291 H -0.30 0.22 -0.76 -0.55 8.60 7.21 3h4zC1 GLU 291 HA 0.16 0.01 0.46 -0.75 4.29 4.17 3h4zC1 GLU 291 HB2 -0.25 0.15 0.12 -0.04 2.09 2.07 3h4zC1 GLU 291 HB3 -0.08 0.15 0.09 -0.04 1.99 2.11 3h4zC1 GLU 291 HG2 0.08 -0.03 -0.14 -0.04 2.34 2.21 3h4zC1 GLU 291 HG3 0.21 -0.03 0.01 -0.04 2.34 2.49 3h4zC1 ALA 292 H -0.03 0.49 -0.06 -0.55 8.40 8.25 3h4zC1 ALA 292 HA 0.03 -0.01 0.40 -0.75 4.34 4.01 3h4zC1 ALA 292 HB3 0.03 0.05 0.19 -0.04 1.41 1.63 3h4zC1 VAL 293 H 0.03 0.25 -0.71 -0.55 8.24 7.26 3h4zC1 VAL 293 HA 0.03 -0.03 0.59 -0.75 4.13 3.97 3h4zC1 VAL 293 HB 0.06 0.11 0.05 -0.04 2.12 2.30 3h4zC1 VAL 293 HG13 0.04 0.03 -0.12 -0.04 0.97 0.88 3h4zC1 VAL 293 HG23 0.03 0.02 -0.23 -0.04 0.95 0.72 3h4zC1 ASN 294 H 0.11 0.74 0.16 -0.55 8.53 9.00 3h4zC1 ASN 294 HA 0.11 0.07 0.20 -0.75 4.76 4.39 3h4zC1 ASN 294 HB2 0.26 0.03 0.13 -0.04 2.88 3.26 3h4zC1 ASN 294 HB3 0.25 0.04 0.10 -0.04 2.79 3.13 3h4zC1 ASN 294 HD21 0.13 -0.01 -0.03 -0.04 7.03 7.08 3h4zC1 ASN 294 HD22 0.18 0.06 -0.14 -0.04 7.74 7.81 3h4zC1 LYS 295 H 0.09 0.73 -0.35 -0.55 8.42 8.33 3h4zC1 LYS 295 HA 0.09 0.01 0.35 -0.75 4.32 4.02 3h4zC1 ASP 296 H 0.04 0.18 -0.27 -0.55 8.40 7.80 3h4zC1 ASP 296 HA 0.01 0.03 0.39 -0.75 4.63 4.31 3h4zC1 ASP 296 HB2 -0.01 0.04 0.16 -0.04 2.71 2.86 3h4zC1 ASP 296 HB3 -0.01 0.12 0.27 -0.04 2.70 3.03 3h4zC1 LYS 297 H 0.03 0.60 -0.00 -0.55 8.42 8.50 3h4zC1 LYS 297 HA 0.07 0.19 0.68 -0.75 4.32 4.51 3h4zC1 LYS 297 HB2 0.01 -0.42 0.11 -0.04 1.87 1.54 3h4zC1 LYS 297 HB3 0.09 0.13 0.09 -0.04 1.79 2.06 3h4zC1 LYS 297 HG2 0.02 0.12 0.01 -0.04 1.46 1.57 3h4zC1 LYS 297 HG3 -0.06 -0.16 -0.61 -0.04 1.46 0.59 3h4zC1 LYS 297 HD2 -0.11 -0.32 -1.16 -0.04 1.69 0.05 3h4zC1 LYS 297 HD3 0.03 0.40 -0.13 -0.04 1.68 1.94 3h4zC1 LYS 297 HE2 -0.24 -0.12 -0.17 -0.04 2.99 2.42 3h4zC1 LYS 297 HE3 -0.15 0.09 -0.19 -0.04 2.99 2.70 3h4zC1 PRO 298 HA 0.10 -0.00 0.43 -0.51 4.44 4.46 3h4zC1 PRO 298 HB2 -0.31 -0.03 -0.38 -0.04 2.28 1.52 3h4zC1 PRO 298 HB3 0.13 -0.03 0.01 -0.04 2.02 2.09 3h4zC1 PRO 298 HG2 0.41 -0.01 0.06 -0.04 2.03 2.45 3h4zC1 PRO 298 HG3 0.26 0.14 0.05 -0.04 2.03 2.44 3h4zC1 PRO 298 HD2 0.07 -0.00 0.16 -0.04 3.68 3.87 3h4zC1 PRO 298 HD3 0.13 0.29 0.09 -0.04 3.65 4.12 3h4zC1 LEU 299 H 0.09 0.13 0.17 -0.55 8.37 8.21 3h4zC1 LEU 299 HA 0.09 0.11 0.56 -0.75 4.35 4.36 3h4zC1 LEU 299 HB2 0.11 0.01 -0.01 -0.04 1.64 1.71 3h4zC1 LEU 299 HB3 0.10 -0.07 -0.12 -0.04 1.64 1.50 3h4zC1 LEU 299 HG 0.10 0.14 -0.11 -0.04 1.64 1.73 3h4zC1 LEU 299 HD13 0.14 0.00 -0.03 -0.04 0.93 0.99 3h4zC1 LEU 299 HD23 0.09 -0.02 -0.11 -0.04 0.89 0.81 3h4zC1 GLY 300 H 0.03 0.08 -0.05 -0.55 8.43 7.94 3h4zC1 GLY 300 HA2 -0.03 0.02 0.26 -0.51 4.01 3.75 3h4zC1 GLY 300 HA3 0.00 0.30 0.87 -0.51 4.01 4.67 3h4zC1 ALA 301 H 0.07 0.66 0.18 -0.55 8.40 8.76 3h4zC1 ALA 301 HA 0.07 0.19 0.84 -0.75 4.34 4.68 3h4zC1 ALA 301 HB3 0.09 0.02 0.08 -0.04 1.41 1.55 3h4zC1 VAL 302 H 0.07 0.21 -0.08 -0.55 8.24 7.89 3h4zC1 VAL 302 HA 0.07 0.05 0.51 -0.75 4.13 4.01 3h4zC1 VAL 302 HB 0.14 -0.05 0.05 -0.04 2.12 2.22 3h4zC1 VAL 302 HG13 0.21 0.01 -0.05 -0.04 0.97 1.10 3h4zC1 VAL 302 HG23 0.12 0.03 -0.09 -0.04 0.95 0.97 3h4zC1 ALA 303 H -0.02 0.69 0.06 -0.55 8.40 8.59 3h4zC1 ALA 303 HA 0.01 0.06 0.34 -0.75 4.34 4.00 3h4zC1 ALA 303 HB3 -0.28 0.00 -0.19 -0.04 1.41 0.90 3h4zC1 LEU 304 H -0.03 0.07 -0.16 -0.55 8.37 7.70 3h4zC1 LEU 304 HA -0.18 0.19 0.36 -0.75 4.35 3.97 3h4zC1 LEU 304 HB2 -0.02 0.06 0.00 -0.04 1.64 1.64 3h4zC1 LEU 304 HB3 0.06 -0.13 -0.01 -0.04 1.64 1.52 3h4zC1 LEU 304 HG -0.02 -0.19 -0.14 -0.04 1.64 1.25 3h4zC1 LEU 304 HD13 -0.11 0.08 -0.09 -0.04 0.93 0.78 3h4zC1 LEU 304 HD23 0.02 -0.01 -0.33 -0.04 0.89 0.53 3h4zC1 LYS 305 H -0.31 0.92 0.47 -0.55 8.42 8.95 3h4zC1 LYS 305 HA -0.33 0.05 0.37 -0.75 4.32 3.65 3h4zC1 LYS 305 HB2 -0.19 -0.02 0.22 -0.04 1.87 1.85 3h4zC1 LYS 305 HB3 -0.16 -0.05 0.01 -0.04 1.79 1.55 3h4zC1 LYS 305 HG2 -1.46 -0.10 0.01 -0.04 1.46 -0.13 3h4zC1 LYS 305 HG3 -0.62 0.19 -0.02 -0.04 1.46 0.97 3h4zC1 LYS 305 HD2 -0.15 0.07 -0.00 -0.04 1.69 1.57 3h4zC1 LYS 305 HD3 -0.11 -0.11 -0.01 -0.04 1.68 1.40 3h4zC1 LYS 305 HE2 -0.09 -0.17 -0.08 -0.04 2.99 2.62 3h4zC1 LYS 305 HE3 -0.16 0.31 -0.30 -0.04 2.99 2.80 3h4zC1 SER 306 H -0.05 0.18 -0.03 -0.55 8.46 8.02 3h4zC1 SER 306 HA 0.03 0.09 0.34 -0.75 4.49 4.20 3h4zC1 SER 306 HB2 0.05 0.03 -0.01 -0.04 3.95 3.98 3h4zC1 SER 306 HB3 0.01 0.06 0.11 -0.04 3.93 4.07 3h4zC1 TYR 307 H 0.16 0.08 -0.28 -0.55 8.29 7.69 3h4zC1 TYR 307 HA 0.03 0.09 0.46 -0.75 4.56 4.38 3h4zC1 TYR 307 HB2 0.02 -0.08 -0.01 -0.04 3.06 2.94 3h4zC1 TYR 307 HB3 0.02 0.05 -0.03 -0.04 2.98 2.99 3h4zC1 TYR 307 HD2 0.04 -0.02 -0.01 -0.04 7.15 7.11 3h4zC1 TYR 307 HE2 0.04 0.02 -0.12 -0.04 6.85 6.76 3h4zC1 GLU 308 H 0.11 0.53 -0.17 -0.55 8.60 8.53 3h4zC1 GLU 308 HA 0.00 -0.07 0.37 -0.75 4.29 3.84 3h4zC1 GLU 308 HB2 0.18 0.28 -0.02 -0.04 2.09 2.48 3h4zC1 GLU 308 HB3 0.23 0.01 0.12 -0.04 1.99 2.31 3h4zC1 GLU 308 HG2 0.14 -0.16 -0.06 -0.04 2.34 2.22 3h4zC1 GLU 308 HG3 0.40 0.09 -0.11 -0.04 2.34 2.68 3h4zC1 GLU 309 H 0.09 0.70 -0.04 -0.55 8.60 8.81 3h4zC1 GLU 309 HA 0.06 0.00 0.32 -0.75 4.29 3.92 3h4zC1 GLU 309 HB2 0.09 0.02 0.09 -0.04 2.09 2.25 3h4zC1 GLU 309 HB3 0.05 0.11 0.03 -0.04 1.99 2.15 3h4zC1 GLU 309 HG2 0.04 -0.00 -0.05 -0.04 2.34 2.29 3h4zC1 GLU 309 HG3 0.06 -0.03 0.05 -0.04 2.34 2.38 3h4zC1 GLU 310 H 0.01 0.28 -0.62 -0.55 8.60 7.72 3h4zC1 GLU 310 HA 0.01 0.10 0.67 -0.75 4.29 4.32 3h4zC1 GLU 310 HB2 0.03 0.12 0.18 -0.04 2.09 2.37 3h4zC1 GLU 310 HB3 0.03 -0.06 0.05 -0.04 1.99 1.97 3h4zC1 GLU 310 HG2 0.07 0.16 0.04 -0.04 2.34 2.56 3h4zC1 GLU 310 HG3 0.10 -0.08 0.02 -0.04 2.34 2.34 3h4zC1 LEU 311 H -0.14 0.53 0.10 -0.55 8.37 8.32 3h4zC1 LEU 311 HA -0.08 0.08 0.77 -0.75 4.35 4.36 3h4zC1 LEU 311 HB2 -0.18 0.08 0.14 -0.04 1.64 1.63 3h4zC1 LEU 311 HB3 -0.10 -0.07 0.20 -0.04 1.64 1.62 3h4zC1 LEU 311 HG -0.82 0.14 0.04 -0.04 1.64 0.96 3h4zC1 LEU 311 HD13 -0.53 -0.03 -0.00 -0.04 0.93 0.32 3h4zC1 LEU 311 HD23 -0.14 0.00 -0.02 -0.04 0.89 0.69 3h4zC1 ALA 312 H -0.02 0.31 -0.43 -0.55 8.40 7.71 3h4zC1 ALA 312 HA 0.00 0.01 0.31 -0.75 4.34 3.90 3h4zC1 ALA 312 HB3 0.01 0.04 0.01 -0.04 1.41 1.42 3h4zC1 LYS 313 H -0.02 0.08 -0.82 -0.55 8.42 7.11 3h4zC1 LYS 313 HA -0.02 0.10 0.49 -0.75 4.32 4.13 3h4zC1 ASP 314 H -0.03 0.19 -0.03 -0.55 8.40 7.98 3h4zC1 ASP 314 HA -0.07 0.10 0.45 -0.75 4.63 4.36 3h4zC1 ASP 314 HB2 -0.04 0.04 0.17 -0.04 2.71 2.85 3h4zC1 ASP 314 HB3 -0.02 0.09 0.21 -0.04 2.70 2.94 3h4zC1 PRO 315 HA -0.07 0.09 0.46 -0.51 4.44 4.42 3h4zC1 PRO 315 HB2 -0.16 -0.00 0.13 -0.04 2.28 2.20 3h4zC1 PRO 315 HB3 -0.09 0.06 0.15 -0.04 2.02 2.09 3h4zC1 PRO 315 HG2 -0.10 0.04 0.14 -0.04 2.03 2.07 3h4zC1 PRO 315 HG3 -0.07 0.12 0.18 -0.04 2.03 2.22 3h4zC1 PRO 315 HD2 -0.14 0.04 0.26 -0.04 3.68 3.80 3h4zC1 PRO 315 HD3 -0.08 0.23 0.30 -0.04 3.65 4.07 3h4zC1 ARG 316 H -0.28 0.15 -0.20 -0.55 8.46 7.58 3h4zC1 ARG 316 HA -0.30 0.11 0.37 -0.75 4.34 3.76 3h4zC1 ARG 316 HB2 -0.80 -0.00 -0.00 -0.04 1.90 1.05 3h4zC1 ARG 316 HB3 -2.12 0.00 0.00 -0.04 1.80 -0.36 3h4zC1 ARG 316 HG2 -0.81 0.04 0.02 -0.04 1.67 0.88 3h4zC1 ARG 316 HG3 -0.55 -0.03 0.07 -0.04 1.67 1.12 3h4zC1 ARG 316 HD2 -1.93 -0.01 -0.01 -0.04 3.22 1.23 3h4zC1 ARG 316 HD3 -0.76 0.08 0.02 -0.04 3.22 2.52 3h4zC1 ILE 317 H -0.03 0.47 -0.35 -0.55 8.25 7.79 3h4zC1 ILE 317 HA 0.25 -0.01 0.46 -0.75 4.18 4.13 3h4zC1 ILE 317 HB 0.04 0.23 0.00 -0.04 1.89 2.12 3h4zC1 ILE 317 HG12 0.07 -0.08 0.06 -0.04 1.49 1.50 3h4zC1 ILE 317 HG13 0.07 0.17 0.07 -0.04 1.21 1.47 3h4zC1 ILE 317 HG23 0.07 -0.03 -0.15 -0.04 0.93 0.78 3h4zC1 ILE 317 HD13 0.38 -0.00 -0.06 -0.04 0.88 1.16 3h4zC1 ALA 318 H -0.01 0.31 -0.15 -0.55 8.40 8.00 3h4zC1 ALA 318 HA 0.00 0.02 0.38 -0.75 4.34 3.99 3h4zC1 ALA 318 HB3 -0.02 0.07 0.12 -0.04 1.41 1.53 3h4zC1 ALA 319 H -0.00 0.57 -0.17 -0.55 8.40 8.25 3h4zC1 ALA 319 HA 0.00 -0.01 0.35 -0.75 4.34 3.93 3h4zC1 ALA 319 HB3 0.02 0.07 -0.11 -0.04 1.41 1.34 3h4zC1 THR 320 H 0.12 0.39 -0.29 -0.55 8.28 7.94 3h4zC1 THR 320 HA 0.08 0.11 0.28 -0.75 4.39 4.11 3h4zC1 THR 320 HB 0.12 0.18 0.14 -0.04 4.32 4.72 3h4zC1 THR 320 HG23 0.04 -0.01 -0.04 -0.04 1.22 1.17 3h4zC1 MET 321 H 0.04 0.58 -0.31 -0.55 8.47 8.23 3h4zC1 MET 321 HA 0.00 -0.02 0.39 -0.75 4.52 4.13 3h4zC1 MET 321 HB2 -0.00 0.19 0.15 -0.04 2.15 2.45 3h4zC1 MET 321 HB3 -0.03 -0.06 -0.01 -0.04 2.03 1.88 3h4zC1 MET 321 HG2 0.03 0.09 0.00 -0.04 2.63 2.71 3h4zC1 MET 321 HG3 0.00 -0.01 -0.06 -0.04 2.56 2.45 3h4zC1 MET 321 HE3 0.01 -0.02 -0.09 -0.04 2.10 1.95 3h4zC1 GLU 322 H 0.00 0.58 -0.07 -0.55 8.60 8.57 3h4zC1 GLU 322 HA -0.02 -0.01 0.43 -0.75 4.29 3.94 3h4zC1 GLU 322 HB2 -0.01 0.00 0.13 -0.04 2.09 2.17 3h4zC1 GLU 322 HB3 -0.00 0.12 0.19 -0.04 1.99 2.25 3h4zC1 GLU 322 HG2 -0.01 -0.03 -0.13 -0.04 2.34 2.14 3h4zC1 GLU 322 HG3 -0.01 -0.03 0.02 -0.04 2.34 2.28 3h4zC1 ASN 323 H 0.01 0.60 -0.20 -0.55 8.53 8.40 3h4zC1 ASN 323 HA 0.01 0.04 0.48 -0.75 4.76 4.54 3h4zC1 ASN 323 HB2 0.02 0.11 0.00 -0.04 2.88 2.97 3h4zC1 ASN 323 HB3 0.01 0.02 0.00 -0.04 2.79 2.78 3h4zC1 ASN 323 HD21 -0.00 0.00 0.10 -0.04 7.03 7.09 3h4zC1 ASN 323 HD22 0.02 0.06 -0.11 -0.04 7.74 7.67 3h4zC1 ALA 324 H 0.01 0.29 -0.48 -0.55 8.40 7.67 3h4zC1 ALA 324 HA 0.05 -0.03 0.37 -0.75 4.34 3.98 3h4zC1 ALA 324 HB3 0.00 0.02 0.04 -0.04 1.41 1.43 3h4zC1 GLN 325 H -0.02 0.52 -0.08 -0.55 8.47 8.34 3h4zC1 GLN 325 HA -0.04 -0.00 0.43 -0.75 4.36 3.99 3h4zC1 GLN 325 HB2 -0.02 0.09 0.16 -0.04 2.15 2.34 3h4zC1 GLN 325 HB3 -0.03 -0.05 0.02 -0.04 2.02 1.91 3h4zC1 GLN 325 HG2 -0.07 -0.08 0.00 -0.04 2.40 2.20 3h4zC1 GLN 325 HG3 -0.05 0.21 0.06 -0.04 2.39 2.57 3h4zC1 GLN 325 HE21 -0.04 -0.03 -0.03 -0.04 6.97 6.83 3h4zC1 GLN 325 HE22 -0.06 -0.03 -0.02 -0.04 7.69 7.54 3h4zC1 LYS 326 H -0.01 0.45 -0.04 -0.55 8.42 8.27 3h4zC1 LYS 326 HA -0.01 -0.05 0.41 -0.75 4.32 3.93 3h4zC1 LYS 326 HB2 0.00 0.02 0.10 -0.04 1.87 1.95 3h4zC1 LYS 326 HB3 0.00 0.09 0.08 -0.04 1.79 1.92 3h4zC1 LYS 326 HG2 -0.01 0.29 0.19 -0.04 1.46 1.90 3h4zC1 LYS 326 HG3 -0.00 -0.14 0.02 -0.04 1.46 1.30 3h4zC1 LYS 326 HD2 -0.01 0.00 0.05 -0.04 1.69 1.70 3h4zC1 LYS 326 HD3 -0.01 -0.01 0.02 -0.04 1.68 1.63 3h4zC1 LYS 326 HE2 -0.01 -0.04 0.02 -0.04 2.99 2.91 3h4zC1 LYS 326 HE3 -0.01 -0.02 0.03 -0.04 2.99 2.94 3h4zC1 GLY 327 H 0.02 0.04 -0.90 -0.55 8.43 7.05 3h4zC1 GLY 327 HA2 0.02 -0.02 0.63 -0.51 4.01 4.13 3h4zC1 GLY 327 HA3 0.06 0.06 0.31 -0.51 4.01 3.93 3h4zC1 GLU 328 H 0.14 0.50 0.22 -0.55 8.60 8.92 3h4zC1 GLU 328 HA 0.09 0.16 0.82 -0.75 4.29 4.61 3h4zC1 GLU 328 HB2 0.08 0.13 -0.17 -0.04 2.09 2.09 3h4zC1 GLU 328 HB3 0.13 -0.07 -0.03 -0.04 1.99 1.98 3h4zC1 GLU 328 HG2 0.26 0.16 -0.24 -0.04 2.34 2.48 3h4zC1 GLU 328 HG3 0.10 -0.03 0.08 -0.04 2.34 2.45 3h4zC1 ILE 329 H 0.12 0.16 0.15 -0.55 8.25 8.13 3h4zC1 ILE 329 HA 0.24 0.06 0.58 -0.75 4.18 4.31 3h4zC1 ILE 329 HB 0.10 -0.03 0.12 -0.04 1.89 2.04 3h4zC1 ILE 329 HG12 0.11 -0.02 -0.03 -0.04 1.49 1.51 3h4zC1 ILE 329 HG13 0.06 0.04 0.05 -0.04 1.21 1.31 3h4zC1 ILE 329 HG23 0.11 0.04 -0.12 -0.04 0.93 0.92 3h4zC1 ILE 329 HD13 0.07 -0.00 -0.03 -0.04 0.88 0.87 3h4zC1 MET 330 H 0.29 0.51 0.33 -0.55 8.47 9.05 3h4zC1 MET 330 HA -0.35 0.07 0.43 -0.75 4.52 3.91 3h4zC1 MET 330 HB2 -0.22 -0.15 0.11 -0.04 2.15 1.85 3h4zC1 MET 330 HB3 -0.46 0.05 0.11 -0.04 2.03 1.69 3h4zC1 MET 330 HG2 -0.38 -0.01 0.01 -0.04 2.63 2.21 3h4zC1 MET 330 HG3 0.20 0.31 -0.13 -0.04 2.56 2.90 3h4zC1 MET 330 HE3 -0.08 -0.04 -0.05 -0.04 2.10 1.89 3h4zC1 PRO 331 HA 0.08 0.13 0.54 -0.51 4.44 4.68 3h4zC1 PRO 331 HB2 -0.42 -0.06 0.06 -0.04 2.28 1.82 3h4zC1 PRO 331 HB3 -0.96 0.01 0.13 -0.04 2.02 1.15 3h4zC1 PRO 331 HG2 -0.64 -0.04 0.10 -0.04 2.03 1.41 3h4zC1 PRO 331 HG3 -0.53 0.15 0.07 -0.04 2.03 1.69 3h4zC1 PRO 331 HD2 -0.75 0.02 0.24 -0.04 3.68 3.15 3h4zC1 PRO 331 HD3 -0.42 0.21 0.24 -0.04 3.65 3.64 3h4zC1 ASN 332 H 0.12 0.16 0.15 -0.55 8.53 8.41 3h4zC1 ASN 332 HA -0.04 0.25 0.96 -0.75 4.76 5.17 3h4zC1 ASN 332 HB2 0.05 -0.16 0.13 -0.04 2.88 2.87 3h4zC1 ASN 332 HB3 0.21 0.11 -0.08 -0.04 2.79 2.98 3h4zC1 ASN 332 HD21 0.20 0.22 0.05 -0.04 7.03 7.46 3h4zC1 ASN 332 HD22 0.18 0.24 0.06 -0.04 7.74 8.18 3h4zC1 ILE 333 H -0.05 -0.01 -0.10 -0.55 8.25 7.54 3h4zC1 ILE 333 HA -0.15 0.17 0.44 -0.75 4.18 3.89 3h4zC1 ILE 333 HB -0.05 0.06 0.11 -0.04 1.89 1.97 3h4zC1 ILE 333 HG12 -0.17 -0.01 0.01 -0.04 1.49 1.28 3h4zC1 ILE 333 HG13 -0.19 -0.22 -0.16 -0.04 1.21 0.60 3h4zC1 ILE 333 HG23 0.18 0.00 0.08 -0.04 0.93 1.16 3h4zC1 ILE 333 HD13 -0.47 0.03 -0.05 -0.04 0.88 0.36 3h4zC1 PRO 334 HA -0.13 0.04 0.36 -0.51 4.44 4.19 3h4zC1 PRO 334 HB2 -0.05 0.03 0.06 -0.04 2.28 2.29 3h4zC1 PRO 334 HB3 -0.06 0.09 0.12 -0.04 2.02 2.12 3h4zC1 PRO 334 HG2 0.00 0.08 0.10 -0.04 2.03 2.17 3h4zC1 PRO 334 HG3 -0.20 0.20 -0.06 -0.04 2.03 1.93 3h4zC1 PRO 334 HD2 -0.02 0.08 0.20 -0.04 3.68 3.90 3h4zC1 PRO 334 HD3 -0.34 0.16 0.19 -0.04 3.65 3.61 3h4zC1 GLN 335 H -0.13 0.08 -0.34 -0.55 8.47 7.54 3h4zC1 GLN 335 HA 0.01 0.14 0.43 -0.75 4.36 4.18 3h4zC1 GLN 335 HB2 -0.49 -0.08 0.01 -0.04 2.15 1.56 3h4zC1 GLN 335 HB3 -0.13 0.08 0.03 -0.04 2.02 1.96 3h4zC1 GLN 335 HG2 -0.19 -0.07 0.06 -0.04 2.40 2.16 3h4zC1 GLN 335 HG3 -0.44 0.01 0.07 -0.04 2.39 1.99 3h4zC1 GLN 335 HE21 0.04 0.18 -0.07 -0.04 6.97 7.07 3h4zC1 GLN 335 HE22 -0.05 0.03 0.11 -0.04 7.69 7.74 3h4zC1 MET 336 H -0.03 0.52 -0.30 -0.55 8.47 8.10 3h4zC1 MET 336 HA -0.02 -0.05 0.35 -0.75 4.52 4.04 3h4zC1 MET 336 HB2 -0.04 0.21 0.04 -0.04 2.15 2.31 3h4zC1 MET 336 HB3 -0.07 -0.11 -0.02 -0.04 2.03 1.79 3h4zC1 MET 336 HG2 -0.14 -0.01 -0.03 -0.04 2.63 2.41 3h4zC1 MET 336 HG3 -0.22 0.30 0.04 -0.04 2.56 2.64 3h4zC1 MET 336 HE3 -1.13 0.00 0.05 -0.04 2.10 0.98 3h4zC1 SER 337 H 0.06 0.45 -0.32 -0.55 8.46 8.10 3h4zC1 SER 337 HA 0.23 -0.02 0.41 -0.75 4.49 4.35 3h4zC1 SER 337 HB2 0.19 -0.04 0.08 -0.04 3.95 4.13 3h4zC1 SER 337 HB3 0.04 0.02 0.12 -0.04 3.93 4.07 3h4zC1 ALA 338 H 0.17 0.47 -0.06 -0.55 8.40 8.43 3h4zC1 ALA 338 HA 0.18 -0.01 0.55 -0.75 4.34 4.30 3h4zC1 ALA 338 HB3 0.20 0.09 0.12 -0.04 1.41 1.79 3h4zC1 PHE 339 H 0.25 0.52 0.03 -0.55 8.34 8.59 3h4zC1 PHE 339 HA -0.11 0.04 0.38 -0.75 4.62 4.18 3h4zC1 PHE 339 HB2 -0.28 0.06 0.04 -0.04 3.15 2.93 3h4zC1 PHE 339 HB3 -0.42 0.03 0.18 -0.04 3.06 2.81 3h4zC1 PHE 339 HD2 -1.20 0.04 -0.04 -0.04 7.28 6.04 3h4zC1 PHE 339 HE2 -1.31 0.04 -0.14 -0.04 7.38 5.93 3h4zC1 PHE 339 HZ -2.75 0.03 -0.17 -0.04 7.32 4.39 3h4zC1 TRP 340 H 0.11 0.71 -0.02 -0.55 7.97 8.22 3h4zC1 TRP 340 HA -0.26 -0.03 0.32 -0.75 4.62 3.89 3h4zC1 TRP 340 HB2 0.04 0.17 0.11 -0.04 3.23 3.51 3h4zC1 TRP 340 HB3 0.02 -0.09 -0.03 -0.04 3.23 3.09 3h4zC1 TRP 340 HD1 0.03 0.03 -0.13 -0.04 7.22 7.11 3h4zC1 TRP 340 HE1 -0.12 -0.02 -0.05 -0.04 10.20 9.97 3h4zC1 TRP 340 HE3 -0.10 -0.02 -0.04 -0.04 7.59 7.40 3h4zC1 TRP 340 HZ2 -0.06 0.02 -0.02 -0.04 7.44 7.34 3h4zC1 TRP 340 HZ3 0.06 0.06 -0.26 -0.04 7.13 6.95 3h4zC1 TRP 340 HH2 0.34 0.05 -0.02 -0.04 7.19 7.51 3h4zC1 TYR 341 H 0.15 0.38 -0.46 -0.55 8.29 7.81 3h4zC1 TYR 341 HA -0.13 -0.05 0.48 -0.75 4.56 4.10 3h4zC1 TYR 341 HB2 -0.68 0.04 0.21 -0.04 3.06 2.59 3h4zC1 TYR 341 HB3 -0.46 0.19 0.26 -0.04 2.98 2.93 3h4zC1 TYR 341 HD2 -0.29 0.03 0.02 -0.04 7.15 6.86 3h4zC1 TYR 341 HE2 -0.03 0.12 0.04 -0.04 6.85 6.94 3h4zC1 ALA 342 H -0.06 0.86 0.05 -0.55 8.40 8.70 3h4zC1 ALA 342 HA -0.25 -0.02 0.39 -0.75 4.34 3.70 3h4zC1 ALA 342 HB3 -0.09 0.01 0.04 -0.04 1.41 1.33 3h4zC1 VAL 343 H -0.33 0.69 -0.15 -0.55 8.24 7.90 3h4zC1 VAL 343 HA -0.12 0.03 0.40 -0.75 4.13 3.69 3h4zC1 VAL 343 HB -0.21 0.04 0.00 -0.04 2.12 1.92 3h4zC1 VAL 343 HG13 0.19 -0.02 -0.06 -0.04 0.97 1.04 3h4zC1 VAL 343 HG23 -0.98 0.06 -0.05 -0.04 0.95 -0.06 3h4zC1 ARG 344 H -0.11 0.45 -0.35 -0.55 8.46 7.89 3h4zC1 ARG 344 HA 0.03 -0.04 0.47 -0.75 4.34 4.05 3h4zC1 ARG 344 HB2 0.02 0.09 0.23 -0.04 1.90 2.19 3h4zC1 ARG 344 HB3 -0.17 0.11 0.30 -0.04 1.80 2.00 3h4zC1 ARG 344 HG2 -0.04 -0.03 -0.13 -0.04 1.67 1.44 3h4zC1 ARG 344 HG3 0.03 -0.00 0.07 -0.04 1.67 1.72 3h4zC1 ARG 344 HD2 0.05 -0.06 0.07 -0.04 3.22 3.23 3h4zC1 ARG 344 HD3 0.04 -0.03 0.05 -0.04 3.22 3.24 3h4zC1 THR 345 H -0.35 0.66 0.10 -0.55 8.28 8.14 3h4zC1 THR 345 HA -0.14 -0.03 0.39 -0.75 4.39 3.85 3h4zC1 THR 345 HB -0.31 0.13 0.09 -0.04 4.32 4.19 3h4zC1 THR 345 HG23 -0.10 -0.01 -0.08 -0.04 1.22 0.98 3h4zC1 ALA 346 H -0.13 0.50 -0.37 -0.55 8.40 7.86 3h4zC1 ALA 346 HA -0.05 -0.04 0.27 -0.75 4.34 3.76 3h4zC1 ALA 346 HB3 -0.04 0.04 -0.04 -0.04 1.41 1.32 3h4zC1 VAL 347 H -0.01 0.49 -0.20 -0.55 8.24 7.97 3h4zC1 VAL 347 HA -0.00 0.01 0.35 -0.75 4.13 3.74 3h4zC1 VAL 347 HB 0.03 0.11 0.13 -0.04 2.12 2.35 3h4zC1 VAL 347 HG13 0.03 -0.01 -0.12 -0.04 0.97 0.83 3h4zC1 VAL 347 HG23 0.08 0.05 0.04 -0.04 0.95 1.08 3h4zC1 ILE 348 H -0.02 0.52 -0.07 -0.55 8.25 8.13 3h4zC1 ILE 348 HA -0.02 0.09 0.46 -0.75 4.18 3.96 3h4zC1 ILE 348 HB -0.03 -0.01 0.20 -0.04 1.89 2.01 3h4zC1 ILE 348 HG12 -0.00 0.04 0.08 -0.04 1.49 1.56 3h4zC1 ILE 348 HG13 -0.01 0.17 0.10 -0.04 1.21 1.43 3h4zC1 ILE 348 HG23 -0.01 -0.01 -0.08 -0.04 0.93 0.79 3h4zC1 ILE 348 HD13 -0.01 -0.02 0.00 -0.04 0.88 0.81 3h4zC1 ASN 349 H -0.04 0.64 0.07 -0.55 8.53 8.66 3h4zC1 ASN 349 HA -0.02 -0.08 0.37 -0.75 4.76 4.27 3h4zC1 ASN 349 HB2 -0.04 0.20 0.05 -0.04 2.88 3.05 3h4zC1 ASN 349 HB3 -0.03 -0.09 -0.08 -0.04 2.79 2.54 3h4zC1 ASN 349 HD21 -0.03 -0.01 0.03 -0.04 7.03 6.98 3h4zC1 ASN 349 HD22 -0.03 -0.13 0.13 -0.04 7.74 7.66 3h4zC1 ALA 350 H -0.03 0.39 -0.70 -0.55 8.40 7.51 3h4zC1 ALA 350 HA -0.02 0.23 0.48 -0.75 4.34 4.27 3h4zC1 ALA 350 HB3 -0.02 -0.03 -0.07 -0.04 1.41 1.24 3h4zC1 ALA 351 H -0.02 0.51 0.05 -0.55 8.40 8.39 3h4zC1 ALA 351 HA -0.03 -0.00 0.54 -0.75 4.34 4.09 3h4zC1 ALA 351 HB3 -0.03 -0.05 0.18 -0.04 1.41 1.47 3h4zC1 SER 352 H -0.02 0.73 0.14 -0.55 8.46 8.76 3h4zC1 SER 352 HA -0.02 0.02 0.42 -0.75 4.49 4.15 3h4zC1 SER 352 HB2 -0.01 -0.01 -0.00 -0.04 3.95 3.88 3h4zC1 SER 352 HB3 -0.02 -0.01 0.06 -0.04 3.93 3.92 3h4zC1 GLY 353 H -0.02 0.21 -0.19 -0.55 8.43 7.88 3h4zC1 GLY 353 HA2 -0.02 0.12 0.23 -0.51 4.01 3.83 3h4zC1 GLY 353 HA3 -0.02 0.17 0.80 -0.51 4.01 4.45 3h4zC1 ARG 354 H -0.02 -0.02 0.09 -0.55 8.46 7.95 3h4zC1 ARG 354 HA -0.03 0.03 0.33 -0.75 4.34 3.92 3h4zC1 ARG 354 HB2 -0.03 -0.06 0.17 -0.04 1.90 1.95 3h4zC1 ARG 354 HB3 -0.03 -0.02 0.01 -0.04 1.80 1.72 3h4zC1 ARG 354 HG2 -0.02 0.04 0.00 -0.04 1.67 1.65 3h4zC1 ARG 354 HG3 -0.02 -0.04 0.02 -0.04 1.67 1.59 3h4zC1 ARG 354 HD2 -0.01 0.02 -0.05 -0.04 3.22 3.14 3h4zC1 ARG 354 HD3 -0.01 -0.07 -0.00 -0.04 3.22 3.10 3h4zC1 GLN 355 H -0.03 0.66 -0.25 -0.55 8.47 8.31 3h4zC1 GLN 355 HA -0.03 0.15 0.70 -0.75 4.36 4.41 3h4zC1 GLN 355 HB2 -0.03 -0.01 -0.27 -0.04 2.15 1.80 3h4zC1 GLN 355 HB3 -0.03 -0.22 0.05 -0.04 2.02 1.78 3h4zC1 GLN 355 HG2 -0.05 0.08 -0.11 -0.04 2.40 2.28 3h4zC1 GLN 355 HG3 -0.04 -0.06 -0.66 -0.04 2.39 1.60 3h4zC1 GLN 355 HE21 -0.02 0.00 -0.13 -0.04 6.97 6.78 3h4zC1 GLN 355 HE22 -0.05 0.03 -0.12 -0.04 7.69 7.51 3h4zC1 THR 356 H -0.02 0.01 0.17 -0.55 8.28 7.89 3h4zC1 THR 356 HA -0.02 0.37 0.84 -0.75 4.39 4.83 3h4zC1 THR 356 HB -0.01 -0.00 0.17 -0.04 4.32 4.44 3h4zC1 THR 356 HG23 -0.02 0.06 -0.01 -0.04 1.22 1.21 3h4zC1 VAL 357 H -0.01 0.26 0.16 -0.55 8.24 8.09 3h4zC1 VAL 357 HA -0.02 0.12 0.29 -0.75 4.13 3.77 3h4zC1 VAL 357 HB -0.00 -0.01 0.07 -0.04 2.12 2.13 3h4zC1 VAL 357 HG13 -0.01 0.03 -0.07 -0.04 0.97 0.87 3h4zC1 VAL 357 HG23 -0.01 0.03 0.02 -0.04 0.95 0.95 3h4zC1 ASP 358 H -0.01 0.02 -0.35 -0.55 8.40 7.51 3h4zC1 ASP 358 HA -0.01 0.18 0.65 -0.75 4.63 4.70 3h4zC1 ASP 358 HB2 -0.01 -0.03 0.04 -0.04 2.71 2.67 3h4zC1 ASP 358 HB3 -0.01 0.05 -0.02 -0.04 2.70 2.69 3h4zC1 ALA 359 H -0.02 0.03 -0.10 -0.55 8.40 7.77 3h4zC1 ALA 359 HA -0.01 0.12 0.46 -0.75 4.34 4.14 3h4zC1 ALA 359 HB3 -0.03 -0.01 0.12 -0.04 1.41 1.45 3h4zC1 ALA 360 H -0.02 0.56 -0.05 -0.55 8.40 8.35 3h4zC1 ALA 360 HA -0.03 0.03 0.26 -0.75 4.34 3.86 3h4zC1 ALA 360 HB3 -0.03 0.00 -0.06 -0.04 1.41 1.28 3h4zC1 LEU 361 H -0.02 0.30 -0.36 -0.55 8.37 7.75 3h4zC1 LEU 361 HA -0.02 0.03 0.38 -0.75 4.35 3.99 3h4zC1 LEU 361 HB2 -0.01 0.06 0.14 -0.04 1.64 1.79 3h4zC1 LEU 361 HB3 -0.01 0.03 0.08 -0.04 1.64 1.70 3h4zC1 LEU 361 HG -0.02 0.03 0.07 -0.04 1.64 1.68 3h4zC1 LEU 361 HD13 -0.02 -0.02 -0.06 -0.04 0.93 0.79 3h4zC1 LEU 361 HD23 -0.00 0.08 0.00 -0.04 0.89 0.93 3h4zC1 ALA 362 H -0.01 0.50 -0.14 -0.55 8.40 8.20 3h4zC1 ALA 362 HA 0.00 -0.01 0.36 -0.75 4.34 3.93 3h4zC1 ALA 362 HB3 0.00 0.03 0.13 -0.04 1.41 1.52 3h4zC1 ALA 363 H -0.00 0.58 -0.35 -0.55 8.40 8.08 3h4zC1 ALA 363 HA 0.03 0.04 0.46 -0.75 4.34 4.12 3h4zC1 ALA 363 HB3 0.01 0.03 0.04 -0.04 1.41 1.45 3h4zC1 ALA 364 H -0.01 0.66 -0.01 -0.55 8.40 8.49 3h4zC1 ALA 364 HA -0.03 -0.06 0.43 -0.75 4.34 3.93 3h4zC1 ALA 364 HB3 -0.06 0.01 -0.01 -0.04 1.41 1.30 3h4zC1 GLN 365 H 0.01 0.54 -0.53 -0.55 8.47 7.94 3h4zC1 GLN 365 HA 0.03 -0.09 0.33 -0.75 4.36 3.87 3h4zC1 GLN 365 HB2 0.01 -0.03 -0.05 -0.04 2.15 2.04 3h4zC1 GLN 365 HB3 0.02 0.35 0.07 -0.04 2.02 2.42 3h4zC1 GLN 365 HG2 0.02 -0.01 -0.05 -0.04 2.40 2.32 3h4zC1 GLN 365 HG3 0.04 0.04 -0.16 -0.04 2.39 2.27 3h4zC1 GLN 365 HE21 0.07 -0.03 0.08 -0.04 6.97 7.06 3h4zC1 GLN 365 HE22 0.07 0.05 0.01 -0.04 7.69 7.77 3h4zC1 THR 366 H 0.04 0.39 -0.39 -0.55 8.28 7.78 3h4zC1 THR 366 HA 0.07 0.12 0.62 -0.75 4.39 4.44 3h4zC1 THR 366 HB 0.05 0.17 0.15 -0.04 4.32 4.65 3h4zC1 THR 366 HG23 0.06 -0.01 -0.13 -0.04 1.22 1.09 3h4zC1 ASN 367 H 0.05 0.44 0.06 -0.55 8.53 8.53 3h4zC1 ASN 367 HA 0.11 0.07 0.39 -0.75 4.76 4.57 3h4zC1 ASN 367 HB2 0.02 -0.01 0.16 -0.04 2.88 3.01 3h4zC1 ASN 367 HB3 0.11 -0.05 0.03 -0.04 2.79 2.84 3h4zC1 ASN 367 HD21 0.06 -0.03 -0.13 -0.04 7.03 6.89 3h4zC1 ASN 367 HD22 0.02 -0.01 -0.36 -0.04 7.74 7.34 3h4zC1 ALA 368 H 0.07 0.45 -0.42 -0.55 8.40 7.95 3h4zC1 ALA 368 HA 0.14 -0.02 0.22 -0.75 4.34 3.93 3h4zC1 ALA 368 HB3 0.09 0.00 0.02 -0.04 1.41 1.49 3h4zC1 ALA 369 H 0.12 0.33 -0.64 -0.55 8.40 7.67 3h4zC1 ALA 369 HA 0.16 0.16 0.83 -0.75 4.34 4.74 3h4zC1 ALA 369 HB3 0.11 -0.01 0.13 -0.04 1.41 1.61 3h4zC1 ALA 370 H 0.13 0.20 -0.45 -0.55 8.40 7.72 3h4zC1 ALA 370 HA 0.07 0.15 0.82 -0.75 4.34 4.62 3h4zC1 ALA 370 HB3 0.10 0.06 0.08 -0.04 1.41 1.61 3h4zC1 ASP 1018 H 0.05 0.24 0.07 -0.55 8.40 8.20 3h4zC1 ASP 1018 HA 0.03 0.16 0.57 -0.75 4.63 4.63 3h4zC1 ASP 1018 HB2 0.00 -0.10 -0.01 -0.04 2.71 2.56 3h4zC1 ASP 1018 HB3 -0.00 0.08 -0.02 -0.04 2.70 2.72 3h4zC1 PRO 1019 HA 0.09 -0.05 0.38 -0.51 4.44 4.35 3h4zC1 PRO 1019 HB2 -0.03 0.02 0.07 -0.04 2.28 2.30 3h4zC1 PRO 1019 HB3 0.04 -0.03 0.08 -0.04 2.02 2.07 3h4zC1 PRO 1019 HG2 0.01 -0.02 -0.11 -0.04 2.03 1.87 3h4zC1 PRO 1019 HG3 0.09 0.00 0.12 -0.04 2.03 2.20 3h4zC1 PRO 1019 HD2 0.00 0.05 0.18 -0.04 3.68 3.88 3h4zC1 PRO 1019 HD3 0.04 0.44 0.38 -0.04 3.65 4.46 3h4zC1 ILE 1020 H -0.72 0.07 0.17 -0.55 8.25 7.22 3h4zC1 ILE 1020 HA -0.21 0.30 0.83 -0.75 4.18 4.35 3h4zC1 ILE 1020 HB -0.66 -0.10 -0.06 -0.04 1.89 1.03 3h4zC1 ILE 1020 HG12 -0.22 0.21 -0.17 -0.04 1.49 1.26 3h4zC1 ILE 1020 HG13 -0.16 -0.12 -0.06 -0.04 1.21 0.83 3h4zC1 ILE 1020 HG23 -0.08 -0.19 0.05 -0.04 0.93 0.67 3h4zC1 ILE 1020 HD13 -0.07 0.11 -0.23 -0.04 0.88 0.65 3h4zC1 HIS 1021 H -0.04 0.24 0.03 -0.55 8.41 8.10 3h4zC1 HIS 1021 HA -0.16 0.20 0.74 -0.75 4.63 4.65 3h4zC1 HIS 1021 HB2 -0.12 -0.01 0.20 -0.04 3.26 3.29 3h4zC1 HIS 1021 HB3 -0.08 -0.02 0.13 -0.04 3.20 3.18 3h4zC1 HIS 1021 HD2 -0.12 -0.05 -0.01 -0.04 6.97 6.76 3h4zC1 HIS 1021 HE1 -0.04 0.14 -0.23 -0.04 7.75 7.59 3h4zC1 TYR 1022 H -0.63 0.43 -0.29 -0.55 8.29 7.24 3h4zC1 TYR 1022 HA -0.17 0.04 0.31 -0.75 4.56 3.99 3h4zC1 TYR 1022 HB2 -0.14 -0.05 0.14 -0.04 3.06 2.96 3h4zC1 TYR 1022 HB3 -0.36 0.05 0.04 -0.04 2.98 2.67 3h4zC1 TYR 1022 HD2 -0.48 -0.01 0.04 -0.04 7.15 6.66 3h4zC1 TYR 1022 HE2 -0.18 0.06 -0.08 -0.04 6.85 6.60 3h4zC1 ASP 1023 H 0.10 0.15 -0.07 -0.55 8.40 8.03 3h4zC1 ASP 1023 HA 0.07 0.04 0.37 -0.75 4.63 4.35 3h4zC1 ASP 1023 HB2 0.05 -0.02 0.10 -0.04 2.71 2.81 3h4zC1 ASP 1023 HB3 0.03 0.03 -0.00 -0.04 2.70 2.71 3h4zC1 LYS 1024 H 0.03 0.24 -0.47 -0.55 8.42 7.66 3h4zC1 LYS 1024 HA -0.00 0.06 0.46 -0.75 4.32 4.09 3h4zC1 LYS 1024 HB2 0.01 -0.05 0.06 -0.04 1.87 1.84 3h4zC1 LYS 1024 HB3 0.02 0.23 0.23 -0.04 1.79 2.22 3h4zC1 LYS 1024 HG2 -0.13 0.02 -0.03 -0.04 1.46 1.28 3h4zC1 LYS 1024 HG3 -0.06 0.01 -0.28 -0.04 1.46 1.08 3h4zC1 LYS 1024 HD2 -0.03 -0.04 0.04 -0.04 1.69 1.62 3h4zC1 LYS 1024 HD3 -0.05 -0.01 -0.01 -0.04 1.68 1.56 3h4zC1 LYS 1024 HE2 -0.09 0.03 -0.04 -0.04 2.99 2.85 3h4zC1 LYS 1024 HE3 -0.06 0.00 -0.06 -0.04 2.99 2.83 3h4zC1 ILE 1025 H -0.02 0.41 0.04 -0.55 8.25 8.13 3h4zC1 ILE 1025 HA -0.02 0.10 0.40 -0.75 4.18 3.91 3h4zC1 ILE 1025 HB -0.04 -0.01 0.03 -0.04 1.89 1.83 3h4zC1 ILE 1025 HG12 -0.05 0.07 -0.04 -0.04 1.49 1.43 3h4zC1 ILE 1025 HG13 -0.07 -0.01 -0.06 -0.04 1.21 1.02 3h4zC1 ILE 1025 HG23 -0.01 0.00 -0.16 -0.04 0.93 0.71 3h4zC1 ILE 1025 HD13 -0.09 0.00 -0.09 -0.04 0.88 0.66 3h4zC1 THR 1026 H 0.03 0.79 -0.02 -0.55 8.28 8.53 3h4zC1 THR 1026 HA 0.05 0.02 0.38 -0.75 4.39 4.08 3h4zC1 THR 1026 HB 0.06 -0.01 0.15 -0.04 4.32 4.49 3h4zC1 THR 1026 HG23 0.07 0.00 -0.04 -0.04 1.22 1.22 3h4zC1 GLU 1027 H 0.03 0.45 -0.03 -0.55 8.60 8.50 3h4zC1 GLU 1027 HA 0.02 -0.02 0.38 -0.75 4.29 3.92 3h4zC1 GLU 1028 H 0.01 0.26 -0.71 -0.55 8.60 7.61 3h4zC1 GLU 1028 HA -0.00 0.05 0.51 -0.75 4.29 4.10 3h4zC1 GLU 1028 HB2 -0.01 0.20 0.14 -0.04 2.09 2.38 3h4zC1 GLU 1028 HB3 -0.01 0.05 0.19 -0.04 1.99 2.18 3h4zC1 GLU 1028 HG2 -0.01 -0.02 -0.11 -0.04 2.34 2.15 3h4zC1 GLU 1028 HG3 -0.01 -0.02 0.05 -0.04 2.34 2.31 3h4zC1 ILE 1029 H 0.01 0.70 0.09 -0.55 8.25 8.50 3h4zC1 ILE 1029 HA 0.01 0.08 0.58 -0.75 4.18 4.10 3h4zC1 ILE 1029 HB 0.02 0.07 0.14 -0.04 1.89 2.08 3h4zC1 ILE 1029 HG12 0.00 -0.02 -0.04 -0.04 1.49 1.39 3h4zC1 ILE 1029 HG13 0.00 0.18 0.03 -0.04 1.21 1.38 3h4zC1 ILE 1029 HG23 0.02 -0.03 -0.17 -0.04 0.93 0.71 3h4zC1 ILE 1029 HD13 0.00 -0.03 -0.17 -0.04 0.88 0.64 3h4zC1 ASN 1030 H 0.03 0.80 0.10 -0.55 8.53 8.91 3h4zC1 ASN 1030 HA 0.03 0.01 0.43 -0.75 4.76 4.47 3h4zC1 ASN 1030 HB2 0.03 0.07 0.08 -0.04 2.88 3.01 3h4zC1 ASN 1030 HB3 0.03 0.00 0.02 -0.04 2.79 2.80 3h4zC1 ASN 1030 HD21 0.04 -0.61 0.17 -0.04 7.03 6.60 3h4zC1 ASN 1030 HD22 0.03 0.06 0.04 -0.04 7.74 7.84 3h4zC1 LYS 1031 H 0.02 0.37 -0.48 -0.55 8.42 7.77 3h4zC1 LYS 1031 HA 0.02 0.01 0.43 -0.75 4.32 4.03 3h4zC1 LYS 1031 HB2 0.01 0.07 0.14 -0.04 1.87 2.05 3h4zC1 LYS 1031 HB3 0.01 0.18 0.10 -0.04 1.79 2.04 3h4zC1 LYS 1031 HG2 0.01 0.01 -0.13 -0.04 1.46 1.31 3h4zC1 LYS 1031 HG3 0.01 -0.06 0.06 -0.04 1.46 1.43 3h4zC1 LYS 1031 HD2 0.00 0.04 0.01 -0.04 1.69 1.70 3h4zC1 LYS 1031 HD3 0.00 -0.02 -0.01 -0.04 1.68 1.62 3h4zC1 LYS 1031 HE2 0.01 -0.04 0.01 -0.04 2.99 2.93 3h4zC1 LYS 1031 HE3 0.01 0.07 0.03 -0.04 2.99 3.05 3h4zC1 ALA 1032 H 0.02 0.27 -0.43 -0.55 8.40 7.71 3h4zC1 ALA 1032 HA 0.02 0.08 0.48 -0.75 4.34 4.18 3h4zC1 ALA 1032 HB3 0.02 0.06 0.14 -0.04 1.41 1.59 3h4zC1 VAL 1033 H 0.05 0.41 -0.14 -0.55 8.24 8.00 3h4zC1 VAL 1033 HA 0.12 0.08 0.60 -0.75 4.13 4.17 3h4zC1 VAL 1033 HB 0.06 0.10 0.12 -0.04 2.12 2.35 3h4zC1 VAL 1033 HG13 0.10 -0.01 -0.12 -0.04 0.97 0.90 3h4zC1 VAL 1033 HG23 0.04 0.02 -0.04 -0.04 0.95 0.93 3h4zC1 ASP 1034 H 0.05 0.60 -0.03 -0.55 8.40 8.47 3h4zC1 ASP 1034 HA 0.07 0.02 0.44 -0.75 4.63 4.40 3h4zC1 ASP 1034 HB2 0.04 0.07 0.13 -0.04 2.71 2.91 3h4zC1 ASP 1034 HB3 0.04 -0.01 0.05 -0.04 2.70 2.74 3h4zC1 GLU 1035 H 0.04 0.25 -0.61 -0.55 8.60 7.74 3h4zC1 GLU 1035 HA 0.02 0.11 0.68 -0.75 4.29 4.35 3h4zC1 GLU 1035 HB2 0.02 0.11 0.08 -0.04 2.09 2.26 3h4zC1 GLU 1035 HB3 0.01 -0.04 0.03 -0.04 1.99 1.95 3h4zC1 GLU 1035 HG2 0.02 -0.07 -0.03 -0.04 2.34 2.21 3h4zC1 GLU 1035 HG3 0.02 0.40 0.10 -0.04 2.34 2.83 3h4zC1 ALA 1036 H 0.06 0.29 -0.11 -0.55 8.40 8.08 3h4zC1 ALA 1036 HA -0.02 0.06 0.47 -0.75 4.34 4.10 3h4zC1 ALA 1036 HB3 0.11 0.04 0.16 -0.04 1.41 1.68 3h4zC1 VAL 1037 H 0.09 0.66 -0.09 -0.55 8.24 8.36 3h4zC1 VAL 1037 HA -0.13 0.04 0.37 -0.75 4.13 3.65 3h4zC1 VAL 1037 HB 0.10 0.02 0.10 -0.04 2.12 2.30 3h4zC1 VAL 1037 HG13 0.09 -0.00 -0.09 -0.04 0.97 0.92 3h4zC1 VAL 1037 HG23 0.37 -0.00 -0.02 -0.04 0.95 1.25 3h4zC1 ALA 1038 H 0.02 0.29 -0.35 -0.55 8.40 7.81 3h4zC1 ALA 1038 HA 0.01 0.08 0.44 -0.75 4.34 4.11 3h4zC1 ALA 1038 HB3 0.01 0.03 0.14 -0.04 1.41 1.55 3h4zC1 ALA 1039 H -0.04 0.40 -0.44 -0.55 8.40 7.77 3h4zC1 ALA 1039 HA -0.03 0.03 0.53 -0.75 4.34 4.12 3h4zC1 ALA 1039 HB3 -0.05 0.03 0.12 -0.04 1.41 1.48 3h4zC1 ILE 1040 H -0.16 0.54 -0.08 -0.55 8.25 8.00 3h4zC1 ILE 1040 HA -0.17 0.00 0.44 -0.75 4.18 3.70 3h4zC1 ILE 1040 HB -0.42 0.08 0.08 -0.04 1.89 1.58 3h4zC1 ILE 1040 HG12 -0.42 -0.02 -0.08 -0.04 1.49 0.93 3h4zC1 ILE 1040 HG13 -0.37 0.33 0.09 -0.04 1.21 1.22 3h4zC1 ILE 1040 HG23 -0.62 -0.03 -0.10 -0.04 0.93 0.14 3h4zC1 ILE 1040 HD13 -1.35 -0.04 -0.23 -0.04 0.88 -0.78 3h4zC1 GLU 1041 H -0.07 0.34 -0.43 -0.55 8.60 7.89 3h4zC1 GLU 1041 HA -0.01 -0.00 0.46 -0.75 4.29 3.99 3h4zC1 GLU 1041 HB2 -0.01 0.07 0.10 -0.04 2.09 2.22 3h4zC1 GLU 1041 HB3 -0.00 0.04 0.13 -0.04 1.99 2.12 3h4zC1 GLU 1041 HG2 0.02 -0.11 0.15 -0.04 2.34 2.36 3h4zC1 GLU 1041 HG3 0.02 0.08 0.09 -0.04 2.34 2.49 3h4zC1 LYS 1042 H -0.02 0.21 -0.38 -0.55 8.42 7.68 3h4zC1 LYS 1042 HA 0.01 -0.02 0.42 -0.75 4.32 3.98 3h4zC1 SER 1043 H 0.02 0.18 -0.40 -0.55 8.46 7.70 3h4zC1 SER 1043 HA 0.03 0.03 0.41 -0.75 4.49 4.20 3h4zC1 GLU 1044 H 0.03 0.02 0.20 -0.55 8.60 8.30 3h4zC1 GLU 1044 HA 0.04 0.31 0.81 -0.75 4.29 4.69 3h4zC1 THR 1045 H 0.04 0.01 0.10 -0.55 8.28 7.88 3h4zC1 THR 1045 HA -0.13 0.14 0.48 -0.75 4.39 4.12 3h4zC1 THR 1045 HB -0.47 0.05 0.08 -0.04 4.32 3.94 3h4zC1 THR 1045 HG23 -0.07 -0.02 0.06 -0.04 1.22 1.16 3h4zC1 PHE 1046 H 0.18 0.09 -0.41 -0.55 8.34 7.65 3h4zC1 PHE 1046 HA -0.00 0.25 0.91 -0.75 4.62 5.03 3h4zC1 PHE 1046 HB2 -0.01 0.09 -0.12 -0.04 3.15 3.07 3h4zC1 PHE 1046 HB3 0.01 -0.05 0.02 -0.04 3.06 3.00 3h4zC1 PHE 1046 HD2 -0.01 -0.03 -0.11 -0.04 7.28 7.09 3h4zC1 PHE 1046 HE2 -0.03 0.05 -0.25 -0.04 7.38 7.11 3h4zC1 PHE 1046 HZ -0.04 0.02 0.01 -0.04 7.32 7.27 3h4zC1 ASP 1047 H 0.06 0.29 -0.43 -0.55 8.40 7.77 3h4zC1 ASP 1047 HA 0.03 0.01 0.49 -0.75 4.63 4.42 3h4zC1 ASP 1047 HB2 0.07 0.05 -0.23 -0.04 2.71 2.55 3h4zC1 ASP 1047 HB3 0.05 0.14 0.06 -0.04 2.70 2.91 3h4zC1 PRO 1048 HA 0.01 0.14 0.43 -0.51 4.44 4.51 3h4zC1 PRO 1048 HB2 0.01 0.02 -0.16 -0.04 2.28 2.11 3h4zC1 PRO 1048 HB3 0.02 -0.04 0.00 -0.04 2.02 1.96 3h4zC1 PRO 1048 HG2 -0.00 0.04 0.04 -0.04 2.03 2.07 3h4zC1 PRO 1048 HG3 0.01 -0.00 0.04 -0.04 2.03 2.04 3h4zC1 PRO 1048 HD2 0.00 0.18 0.39 -0.04 3.68 4.22 3h4zC1 PRO 1048 HD3 0.01 0.03 0.21 -0.04 3.65 3.86 3h4zC1 MET 1049 H 0.00 0.71 0.22 -0.55 8.47 8.85 3h4zC1 MET 1049 HA -0.06 0.23 0.77 -0.75 4.52 4.71 3h4zC1 MET 1049 HB2 0.04 0.19 -0.02 -0.04 2.15 2.32 3h4zC1 MET 1049 HB3 0.00 -0.13 0.18 -0.04 2.03 2.05 3h4zC1 MET 1049 HG2 -0.03 0.12 -0.24 -0.04 2.63 2.44 3h4zC1 MET 1049 HG3 -0.07 0.08 0.05 -0.04 2.56 2.58 3h4zC1 MET 1049 HE3 0.00 0.00 -0.15 -0.04 2.10 1.91 3h4zC1 LYS 1050 H -0.06 0.20 0.13 -0.55 8.42 8.14 3h4zC1 LYS 1050 HA -0.01 0.14 0.66 -0.75 4.32 4.35 3h4zC1 VAL 1051 H -0.02 0.87 0.39 -0.55 8.24 8.94 3h4zC1 VAL 1051 HA -0.03 0.20 0.98 -0.75 4.13 4.52 3h4zC1 VAL 1051 HB -0.08 -0.07 0.05 -0.04 2.12 1.98 3h4zC1 VAL 1051 HG13 -0.09 0.04 -0.08 -0.04 0.97 0.80 3h4zC1 VAL 1051 HG23 -0.08 0.01 -0.18 -0.04 0.95 0.66 3h4zC1 PRO 1052 HA 0.00 -0.07 0.42 -0.51 4.44 4.28 3h4zC1 PRO 1052 HB2 0.01 0.09 0.07 -0.04 2.28 2.41 3h4zC1 PRO 1052 HB3 0.01 -0.03 0.14 -0.04 2.02 2.10 3h4zC1 PRO 1052 HG2 -0.00 0.04 0.09 -0.04 2.03 2.12 3h4zC1 PRO 1052 HG3 -0.01 0.01 0.09 -0.04 2.03 2.08 3h4zC1 PRO 1052 HD2 -0.02 0.09 0.19 -0.04 3.68 3.90 3h4zC1 PRO 1052 HD3 -0.02 0.24 0.22 -0.04 3.65 4.05 3h4zC1 ASP 1053 H 0.02 -0.00 0.22 -0.55 8.40 8.09 3h4zC1 ASP 1053 HA 0.04 0.13 0.58 -0.75 4.63 4.63 3h4zC1 ASP 1053 HB2 0.02 -0.04 0.13 -0.04 2.71 2.79 3h4zC1 ASP 1053 HB3 0.03 0.00 0.09 -0.04 2.70 2.78 3h4zC1 HIS 1054 H 0.09 0.43 0.30 -0.55 8.41 8.69 3h4zC1 HIS 1054 HA -0.00 0.08 0.66 -0.75 4.63 4.61 3h4zC1 HIS 1054 HB2 -0.03 0.20 -0.19 -0.04 3.26 3.20 3h4zC1 HIS 1054 HB3 -0.03 -0.07 0.05 -0.04 3.20 3.11 3h4zC1 HIS 1054 HD2 0.02 -0.10 -0.42 -0.04 6.97 6.42 3h4zC1 HIS 1054 HE1 0.00 -0.00 -0.05 -0.04 7.75 7.66 3h4zC1 SER 1055 H -0.34 0.24 0.19 -0.55 8.46 8.00 3h4zC1 SER 1055 HA -0.01 0.21 1.30 -0.75 4.49 5.24 3h4zC1 SER 1055 HB2 -0.05 0.06 0.07 -0.04 3.95 4.00 3h4zC1 SER 1055 HB3 -0.03 -0.09 0.00 -0.04 3.93 3.77 3h4zC1 ASP 1056 H 0.00 0.78 0.34 -0.55 8.40 8.97 3h4zC1 ASP 1056 HA -0.06 0.14 0.70 -0.75 4.63 4.66 3h4zC1 LYS 1057 H 0.00 0.22 0.05 -0.55 8.42 8.13 3h4zC1 LYS 1057 HA -0.27 0.14 0.62 -0.75 4.32 4.06 3h4zC1 PHE 1058 H -0.67 0.29 0.03 -0.55 8.34 7.44 3h4zC1 PHE 1058 HA 0.01 0.13 0.43 -0.75 4.62 4.43 3h4zC1 PHE 1058 HB2 -0.02 0.04 0.05 -0.04 3.15 3.17 3h4zC1 PHE 1058 HB3 -0.01 -0.03 -0.01 -0.04 3.06 2.97 3h4zC1 PHE 1058 HD2 -0.00 -0.05 -0.02 -0.04 7.28 7.16 3h4zC1 PHE 1058 HE2 0.04 0.02 -0.26 -0.04 7.38 7.14 3h4zC1 PHE 1058 HZ 0.10 0.06 -0.14 -0.04 7.32 7.30 3h4zC1 LYS 1068 HA 0.16 0.06 784.02 -0.75 4.32 787.81 3h4zC1 GLY 1069 H -0.21 0.14 0.14 -0.55 8.43 7.95 3h4zC1 GLY 1069 HA2 -0.10 -0.12 0.38 -0.51 4.01 3.67 3h4zC1 GLY 1069 HA3 -0.11 0.40 0.62 -0.51 4.01 4.41 3h4zC1 GLU 1070 H -0.12 0.05 0.17 -0.55 8.60 8.15 3h4zC1 GLU 1070 HA -0.20 0.18 0.66 -0.75 4.29 4.18 3h4zC1 LEU 1071 H -0.04 0.34 0.25 -0.55 8.37 8.37 3h4zC1 LEU 1071 HA 0.12 0.05 0.44 -0.75 4.35 4.21 3h4zC1 LEU 1071 HB2 0.18 0.23 0.21 -0.04 1.64 2.22 3h4zC1 LEU 1071 HB3 0.05 -0.15 -0.28 -0.04 1.64 1.22 3h4zC1 LEU 1071 HG 0.25 0.33 0.17 -0.04 1.64 2.35 3h4zC1 LEU 1071 HD13 0.33 -0.03 -0.07 -0.04 0.93 1.12 3h4zC1 LEU 1071 HD23 0.17 -0.03 -0.42 -0.04 0.89 0.58 3h4zC1 ASP 1072 H 0.14 0.52 0.28 -0.55 8.40 8.79 3h4zC1 ASP 1072 HA 0.10 0.29 0.95 -0.75 4.63 5.22 3h4zC1 ASP 1072 HB2 0.05 0.01 -0.09 -0.04 2.71 2.64 3h4zC1 ASP 1072 HB3 0.02 -0.01 -0.03 -0.04 2.70 2.64 3h4zC1 MET 1073 H 0.13 0.65 0.37 -0.55 8.47 9.07 3h4zC1 MET 1073 HA 0.20 0.30 1.16 -0.75 4.52 5.43 3h4zC1 MET 1073 HB2 0.20 0.02 -0.03 -0.04 2.15 2.30 3h4zC1 MET 1073 HB3 0.25 -0.05 -0.03 -0.04 2.03 2.17 3h4zC1 MET 1073 HG2 0.14 0.24 0.30 -0.04 2.63 3.26 3h4zC1 MET 1073 HG3 -0.03 0.00 0.01 -0.04 2.56 2.50 3h4zC1 MET 1073 HE3 -0.55 -0.00 -0.14 -0.04 2.10 1.36 3h4zC1 ARG 1074 H 0.18 0.67 0.36 -0.55 8.46 9.12 3h4zC1 ARG 1074 HA 0.08 0.14 1.00 -0.75 4.34 4.80 3h4zC1 ARG 1074 HB2 0.08 0.02 0.00 -0.04 1.90 1.96 3h4zC1 ARG 1074 HB3 0.06 -0.03 0.08 -0.04 1.80 1.87 3h4zC1 ARG 1074 HG2 0.05 0.00 -0.09 -0.04 1.67 1.59 3h4zC1 ARG 1074 HG3 0.08 -0.09 -0.71 -0.04 1.67 0.91 3h4zC1 ARG 1074 HD2 0.06 0.02 -0.13 -0.04 3.22 3.12 3h4zC1 ARG 1074 HD3 0.04 0.00 -0.08 -0.04 3.22 3.15 3h4zC1 ASN 1075 H 0.06 0.15 0.18 -0.55 8.53 8.37 3h4zC1 ASN 1075 HA 0.06 0.06 0.33 -0.75 4.76 4.44 3h4zC1 ASN 1075 HB2 0.11 0.11 0.21 -0.04 2.88 3.27 3h4zC1 ASN 1075 HB3 0.08 0.02 0.20 -0.04 2.79 3.05 3h4zC1 ASN 1075 HD21 0.05 0.01 -0.07 -0.04 7.03 6.98 3h4zC1 ASN 1075 HD22 0.07 0.01 -0.08 -0.04 7.74 7.71 3h4zC1 ILE 1076 H 0.05 0.13 -0.05 -0.55 8.25 7.83 3h4zC1 ILE 1076 HA 0.16 0.29 0.66 -0.75 4.18 4.54 3h4zC1 ILE 1076 HB -0.04 0.16 0.14 -0.04 1.89 2.11 3h4zC1 ILE 1076 HG12 -0.05 -0.03 -0.24 -0.04 1.49 1.13 3h4zC1 ILE 1076 HG13 0.04 -0.20 -0.27 -0.04 1.21 0.74 3h4zC1 ILE 1076 HG23 -0.15 -0.01 -0.22 -0.04 0.93 0.51 3h4zC1 ILE 1076 HD13 -0.11 0.08 -0.13 -0.04 0.88 0.68 3h4zC1 GLN 1077 H 0.11 0.71 0.41 -0.55 8.47 9.15 3h4zC1 GLN 1077 HA 0.01 0.31 1.02 -0.75 4.36 4.95 3h4zC1 GLN 1077 HB2 0.06 -0.04 0.09 -0.04 2.15 2.23 3h4zC1 GLN 1077 HB3 0.03 -0.03 -0.14 -0.04 2.02 1.84 3h4zC1 GLN 1077 HG2 0.02 0.03 -0.28 -0.04 2.40 2.13 3h4zC1 GLN 1077 HG3 0.05 0.07 -0.38 -0.04 2.39 2.08 3h4zC1 GLN 1077 HE21 0.01 -0.00 -0.08 -0.04 6.97 6.85 3h4zC1 GLN 1077 HE22 0.01 -0.00 -0.14 -0.04 7.69 7.51 3h4zC1 VAL 1078 H -0.01 0.77 0.31 -0.55 8.24 8.77 3h4zC1 VAL 1078 HA 0.00 0.25 1.09 -0.75 4.13 4.71 3h4zC1 VAL 1078 HB -0.03 -0.02 0.16 -0.04 2.12 2.18 3h4zC1 VAL 1078 HG13 -0.10 -0.01 -0.14 -0.04 0.97 0.68 3h4zC1 VAL 1078 HG23 -0.09 0.02 -0.08 -0.04 0.95 0.76 3h4zC1 ARG 1079 H -0.00 0.79 0.45 -0.55 8.46 9.14 3h4zC1 ARG 1079 HA 0.00 0.10 1.06 -0.75 4.34 4.75 3h4zC1 GLY 1080 H 0.00 0.14 0.19 -0.55 8.43 8.22 3h4zC1 GLY 1080 HA2 0.00 0.04 0.35 -0.51 4.01 3.89 3h4zC1 GLY 1080 HA3 -0.02 0.29 0.90 -0.51 4.01 4.68 3h4zC1 LEU 1081 H -0.02 0.16 -0.11 -0.55 8.37 7.86 3h4zC1 LEU 1081 HA 0.02 0.11 0.30 -0.75 4.35 4.03 3h4zC1 LEU 1081 HB2 0.07 0.14 -0.02 -0.04 1.64 1.79 3h4zC1 LEU 1081 HB3 0.10 0.04 -0.03 -0.04 1.64 1.71 3h4zC1 LEU 1081 HG -0.07 -0.09 -0.13 -0.04 1.64 1.31 3h4zC1 LEU 1081 HD13 0.09 0.10 -0.00 -0.04 0.93 1.08 3h4zC1 LEU 1081 HD23 -0.29 -0.01 -0.14 -0.04 0.89 0.41 3h4zC1 LYS 1082 H 0.02 -0.07 -0.32 -0.55 8.42 7.50 3h4zC1 LYS 1082 HA 0.03 0.17 0.34 -0.75 4.32 4.10 3h4zC1 GLN 1083 H -0.03 0.31 -0.66 -0.55 8.47 7.54 3h4zC1 GLN 1083 HA -0.14 0.22 0.77 -0.75 4.36 4.46 3h4zC1 MET 1084 H -0.02 0.38 -0.35 -0.55 8.47 7.94 3h4zC1 MET 1084 HA -0.03 0.16 1.02 -0.75 4.52 4.91 3h4zC1 MET 1084 HB2 0.16 0.07 -0.14 -0.04 2.15 2.20 3h4zC1 MET 1084 HB3 0.19 -0.12 -0.07 -0.04 2.03 1.98 3h4zC1 MET 1084 HG2 0.10 0.52 0.13 -0.04 2.63 3.35 3h4zC1 MET 1084 HG3 0.14 -0.08 -0.04 -0.04 2.56 2.54 3h4zC1 MET 1084 HE3 0.37 -0.03 -0.07 -0.04 2.10 2.34 3h4zC1 LYS 1085 H 0.06 0.47 0.24 -0.55 8.42 8.64 3h4zC1 LYS 1085 HA 0.10 0.09 0.70 -0.75 4.32 4.46 3h4zC1 ARG 1086 H 0.08 0.06 0.11 -0.55 8.46 8.16 3h4zC1 ARG 1086 HA 0.02 0.17 0.67 -0.75 4.34 4.46 3h4zC1 ARG 1086 HB2 0.02 0.04 0.07 -0.04 1.90 1.99 3h4zC1 ARG 1086 HB3 0.05 -0.07 0.06 -0.04 1.80 1.79 3h4zC1 ARG 1086 HG2 0.05 -0.06 0.06 -0.04 1.67 1.68 3h4zC1 ARG 1086 HG3 0.04 0.06 -0.24 -0.04 1.67 1.49 3h4zC1 ARG 1086 HD2 0.03 0.02 -0.02 -0.04 3.22 3.21 3h4zC1 ARG 1086 HD3 0.04 -0.03 0.03 -0.04 3.22 3.23 3h4zC1 VAL 1087 H 0.01 0.69 0.41 -0.55 8.24 8.80 3h4zC1 VAL 1087 HA 0.03 0.11 0.95 -0.75 4.13 4.47 3h4zC1 VAL 1087 HB -0.01 -0.04 0.11 -0.04 2.12 2.14 3h4zC1 VAL 1087 HG13 0.01 -0.01 -0.10 -0.04 0.97 0.83 3h4zC1 VAL 1087 HG23 0.03 0.00 -0.11 -0.04 0.95 0.82 3h4zC1 GLY 1088 H 0.02 0.09 0.09 -0.55 8.43 8.08 3h4zC1 GLY 1088 HA2 0.02 -0.03 0.34 -0.51 4.01 3.83 3h4zC1 GLY 1088 HA3 0.01 0.09 0.43 -0.51 4.01 4.03 3h4zC1 ASP 1089 H 0.03 0.05 0.13 -0.55 8.40 8.07 3h4zC1 ASP 1089 HA 0.04 0.13 0.67 -0.75 4.63 4.71 3h4zC1 ASP 1089 HB2 0.05 -0.01 0.07 -0.04 2.71 2.78 3h4zC1 ASP 1089 HB3 0.07 0.03 0.08 -0.04 2.70 2.84 3h4zC1 ALA 1090 H 0.05 0.03 0.13 -0.55 8.40 8.07 3h4zC1 ALA 1090 HA 0.05 0.34 0.64 -0.75 4.34 4.62 3h4zC1 ALA 1090 HB3 0.04 -0.03 -0.05 -0.04 1.41 1.34 3h4zC1 ASN 1091 H 0.09 0.63 0.31 -0.55 8.53 9.02 3h4zC1 ASN 1091 HA 0.16 0.09 0.78 -0.75 4.76 5.03 3h4zC1 ASN 1091 HB2 0.18 -0.08 0.25 -0.04 2.88 3.20 3h4zC1 ASN 1091 HB3 0.13 0.04 0.03 -0.04 2.79 2.96 3h4zC1 ASN 1091 HD21 0.01 -0.01 -0.05 -0.04 7.03 6.95 3h4zC1 ASN 1091 HD22 0.08 -0.01 -0.03 -0.04 7.74 7.74 3h4zC1 VAL 1092 H 0.22 0.16 0.10 -0.55 8.24 8.17 3h4zC1 VAL 1092 HA 0.02 0.43 0.87 -0.75 4.13 4.70 3h4zC1 VAL 1092 HB 0.09 -0.08 0.03 -0.04 2.12 2.12 3h4zC1 VAL 1092 HG13 0.01 0.00 -0.14 -0.04 0.97 0.80 3h4zC1 VAL 1092 HG23 0.05 0.01 -0.22 -0.04 0.95 0.75 3h4zC1 LYS 1093 H 0.02 0.48 0.14 -0.55 8.42 8.50 3h4zC1 LYS 1093 HA 0.14 0.03 0.59 -0.75 4.32 4.33 3h4zC1 LYS 1093 HB2 0.10 0.06 -0.27 -0.04 1.87 1.72 3h4zC1 LYS 1093 HB3 0.02 -0.03 0.05 -0.04 1.79 1.78 3h4zC1 LYS 1093 HG2 0.06 0.11 -0.14 -0.04 1.46 1.45 3h4zC1 LYS 1093 HG3 0.12 0.00 0.05 -0.04 1.46 1.59 3h4zC1 LYS 1093 HD2 0.07 0.05 -0.23 -0.04 1.69 1.54 3h4zC1 LYS 1093 HD3 0.08 -0.04 -0.10 -0.04 1.68 1.58 3h4zC1 LYS 1093 HE2 0.06 -0.02 -0.09 -0.04 2.99 2.90 3h4zC1 LYS 1093 HE3 0.02 -0.03 -0.08 -0.04 2.99 2.86 3h4zC1 SER 1094 H 0.03 0.10 0.10 -0.55 8.46 8.15 3h4zC1 SER 1094 HA -0.00 0.16 0.63 -0.75 4.49 4.52 3h4zC1 SER 1094 HB2 -0.04 -0.07 0.03 -0.04 3.95 3.82 3h4zC1 SER 1094 HB3 -0.02 0.18 0.06 -0.04 3.93 4.11 3h4zC1 GLU 1095 H 0.00 0.42 0.18 -0.55 8.60 8.66 3h4zC1 GLU 1095 HA 0.02 -0.06 0.50 -0.75 4.29 3.99 3h4zC1 GLU 1095 HB2 0.03 0.29 0.00 -0.04 2.09 2.36 3h4zC1 GLU 1095 HB3 0.02 0.03 -0.04 -0.04 1.99 1.95 3h4zC1 GLU 1095 HG2 0.02 -0.02 -0.15 -0.04 2.34 2.14 3h4zC1 GLU 1095 HG3 0.02 -0.05 0.11 -0.04 2.34 2.38 3h4zC1 ASP 1096 H 0.01 0.19 0.17 -0.55 8.40 8.22 3h4zC1 ASP 1096 HA 0.01 0.06 0.36 -0.75 4.63 4.30 3h4zC1 ASP 1096 HB2 0.01 0.22 0.06 -0.04 2.71 2.96 3h4zC1 ASP 1096 HB3 0.01 0.01 0.24 -0.04 2.70 2.92 3h4zC1 GLY 1097 H 0.00 0.03 -0.25 -0.55 8.43 7.66 3h4zC1 GLY 1097 HA2 -0.01 0.01 0.24 -0.51 4.01 3.74 3h4zC1 GLY 1097 HA3 -0.00 0.11 0.47 -0.51 4.01 4.07 3h4zC1 VAL 1098 H -0.00 0.42 -0.70 -0.55 8.24 7.41 3h4zC1 VAL 1098 HA -0.01 0.22 0.82 -0.75 4.13 4.42 3h4zC1 VAL 1098 HB 0.00 0.18 0.10 -0.04 2.12 2.37 3h4zC1 VAL 1098 HG13 -0.00 -0.02 -0.27 -0.04 0.97 0.64 3h4zC1 VAL 1098 HG23 0.00 0.02 -0.09 -0.04 0.95 0.84 3h4zC1 VAL 1099 H -0.01 0.69 0.18 -0.55 8.24 8.55 3h4zC1 VAL 1099 HA -0.01 0.09 0.88 -0.75 4.13 4.34 3h4zC1 VAL 1099 HB -0.02 -0.01 0.14 -0.04 2.12 2.20 3h4zC1 VAL 1099 HG13 -0.02 -0.03 -0.26 -0.04 0.97 0.62 3h4zC1 VAL 1099 HG23 -0.03 0.01 -0.17 -0.04 0.95 0.73 3h4zC1 LYS 1100 H -0.02 0.45 0.09 -0.55 8.42 8.39 3h4zC1 LYS 1100 HA -0.05 0.28 0.81 -0.75 4.32 4.61 3h4zC1 ALA 1101 H -0.10 0.41 0.17 -0.55 8.40 8.34 3h4zC1 ALA 1101 HA -0.09 0.44 0.68 -0.75 4.34 4.61 3h4zC1 ALA 1101 HB3 -0.01 -0.03 -0.23 -0.04 1.41 1.10 3h4zC1 HIS 1102 H -0.04 0.48 0.26 -0.55 8.41 8.57 3h4zC1 HIS 1102 HA -0.01 0.36 0.97 -0.75 4.63 5.19 3h4zC1 HIS 1102 HB2 0.01 -0.10 0.20 -0.04 3.26 3.32 3h4zC1 HIS 1102 HB3 -0.02 0.06 0.09 -0.04 3.20 3.29 3h4zC1 HIS 1102 HD2 0.01 -0.03 -0.02 -0.04 6.97 6.89 3h4zC1 HIS 1102 HE1 -0.00 0.00 -0.06 -0.04 7.75 7.65 3h4zC1 LEU 1103 H 0.05 0.53 0.35 -0.55 8.37 8.75 3h4zC1 LEU 1103 HA 0.02 0.20 0.75 -0.75 4.35 4.57 3h4zC1 LEU 1103 HB2 -0.02 -0.06 -0.09 -0.04 1.64 1.43 3h4zC1 LEU 1103 HB3 -0.02 0.04 -0.06 -0.04 1.64 1.55 3h4zC1 LEU 1103 HG 0.03 0.05 -0.49 -0.04 1.64 1.19 3h4zC1 LEU 1103 HD13 0.01 -0.00 -0.21 -0.04 0.93 0.69 3h4zC1 LEU 1103 HD23 0.02 0.01 -0.09 -0.04 0.89 0.80 3h4zC1 LEU 1104 H -0.02 0.30 0.16 -0.55 8.37 8.26 3h4zC1 LEU 1104 HA -0.11 0.34 1.13 -0.75 4.35 4.95 3h4zC1 LEU 1104 HB2 -0.03 0.09 0.20 -0.04 1.64 1.86 3h4zC1 LEU 1104 HB3 -0.07 0.01 0.03 -0.04 1.64 1.56 3h4zC1 LEU 1104 HG -0.04 -0.06 -0.25 -0.04 1.64 1.25 3h4zC1 LEU 1104 HD13 -0.05 0.01 -0.04 -0.04 0.93 0.81 3h4zC1 LEU 1104 HD23 -0.10 0.07 0.02 -0.04 0.89 0.84 3h4zC1 VAL 1105 H -0.17 0.84 0.26 -0.55 8.24 8.63 3h4zC1 VAL 1105 HA -0.02 0.17 0.86 -0.75 4.13 4.38 3h4zC1 VAL 1105 HB -0.16 -0.05 0.08 -0.04 2.12 1.95 3h4zC1 VAL 1105 HG13 0.13 0.01 -0.30 -0.04 0.97 0.77 3h4zC1 VAL 1105 HG23 -0.13 -0.03 -0.25 -0.04 0.95 0.51 3h4zC1 GLY 1106 H -0.00 0.34 0.09 -0.55 8.43 8.31 3h4zC1 GLY 1106 HA2 -0.15 0.29 1.07 -0.51 4.01 4.71 3h4zC1 GLY 1106 HA3 -0.03 -0.02 0.38 -0.51 4.01 3.83 3h4zC1 VAL 1107 H 0.11 0.18 0.24 -0.55 8.24 8.22 3h4zC1 VAL 1107 HA 0.05 0.23 0.96 -0.75 4.13 4.61 3h4zC1 VAL 1107 HB 0.30 -0.01 -0.03 -0.04 2.12 2.33 3h4zC1 VAL 1107 HG13 0.15 0.03 -0.00 -0.04 0.97 1.10 3h4zC1 VAL 1107 HG23 0.03 -0.03 -0.15 -0.04 0.95 0.76 3h4zC1 HIS 1108 H -0.07 0.28 0.18 -0.55 8.41 8.26 3h4zC1 HIS 1108 HA 0.05 0.11 0.37 -0.75 4.63 4.40 3h4zC1 HIS 1108 HB2 0.05 -0.07 0.20 -0.04 3.26 3.39 3h4zC1 HIS 1108 HB3 0.04 -0.23 0.27 -0.04 3.20 3.24 3h4zC1 HIS 1108 HD2 0.05 -0.02 -0.05 -0.04 6.97 6.91 3h4zC1 HIS 1108 HE1 0.04 -0.00 -0.01 -0.04 7.75 7.73 3h4zC1 ASP 1109 H 0.16 0.13 0.14 -0.55 8.40 8.28 3h4zC1 ASP 1109 HA 0.07 0.19 0.68 -0.75 4.63 4.82 3h4zC1 ASP 1109 HB2 0.05 -0.03 0.09 -0.04 2.71 2.78 3h4zC1 ASP 1109 HB3 0.04 0.02 0.19 -0.04 2.70 2.90 3h4zC1 ASP 1110 H 0.13 -0.07 -0.57 -0.55 8.40 7.34 3h4zC1 ASP 1110 HA 0.06 0.17 0.68 -0.75 4.63 4.79 3h4zC1 ASP 1110 HB2 0.07 0.03 -0.05 -0.04 2.71 2.72 3h4zC1 ASP 1110 HB3 0.06 -0.01 0.13 -0.04 2.70 2.83 3h4zC1 VAL 1111 H 0.04 0.17 0.13 -0.55 8.24 8.04 3h4zC1 VAL 1111 HA 0.05 0.23 1.06 -0.75 4.13 4.72 3h4zC1 VAL 1111 HB 0.03 -0.04 -0.01 -0.04 2.12 2.07 3h4zC1 VAL 1111 HG13 0.02 0.07 -0.30 -0.04 0.97 0.71 3h4zC1 VAL 1111 HG23 0.04 0.00 -0.24 -0.04 0.95 0.71 3h4zC1 VAL 1112 H 0.02 0.37 0.24 -0.55 8.24 8.32 3h4zC1 VAL 1112 HA -0.06 0.20 0.83 -0.75 4.13 4.35 3h4zC1 VAL 1112 HB -0.16 -0.00 0.19 -0.04 2.12 2.11 3h4zC1 VAL 1112 HG13 -0.41 -0.01 -0.18 -0.04 0.97 0.34 3h4zC1 VAL 1112 HG23 -0.12 -0.01 -0.13 -0.04 0.95 0.65 3h4zC1 SER 1113 H -0.02 0.42 0.35 -0.55 8.46 8.67 3h4zC1 SER 1113 HA 0.02 0.26 1.14 -0.75 4.49 5.15 3h4zC1 SER 1113 HB2 0.06 -0.00 -0.05 -0.04 3.95 3.92 3h4zC1 SER 1113 HB3 0.04 -0.06 -0.11 -0.04 3.93 3.75 3h4zC1 MET 1114 H 0.14 0.62 0.29 -0.55 8.47 8.97 3h4zC1 MET 1114 HA 0.09 0.28 1.03 -0.75 4.52 5.17 3h4zC1 GLU 1115 H 0.14 0.61 0.36 -0.55 8.60 9.16 3h4zC1 GLU 1115 HA 0.04 0.22 1.06 -0.75 4.29 4.86 3h4zC1 GLU 1115 HB2 0.15 0.01 0.17 -0.04 2.09 2.38 3h4zC1 GLU 1115 HB3 0.19 0.01 0.16 -0.04 1.99 2.31 3h4zC1 GLU 1115 HG2 0.09 -0.02 -0.05 -0.04 2.34 2.32 3h4zC1 GLU 1115 HG3 0.09 -0.00 -0.02 -0.04 2.34 2.37 3h4zC1 TYR 1116 H -0.39 0.55 0.44 -0.55 8.29 8.34 3h4zC1 TYR 1116 HA 0.08 0.27 0.46 -0.75 4.56 4.61 3h4zC1 TYR 1116 HB2 0.05 0.03 -0.11 -0.04 3.06 2.99 3h4zC1 TYR 1116 HB3 0.05 0.09 -0.19 -0.04 2.98 2.88 3h4zC1 TYR 1116 HD2 0.07 0.05 -0.56 -0.04 7.15 6.67 3h4zC1 TYR 1116 HE2 0.09 -0.01 -0.18 -0.04 6.85 6.71 3h4zC1 ASP 1117 H 0.22 0.76 0.34 -0.55 8.40 9.17 3h4zC1 ASP 1117 HA 0.07 0.10 1.01 -0.75 4.63 5.05 3h4zC1 ASP 1117 HB2 0.12 -0.07 0.15 -0.04 2.71 2.87 3h4zC1 ASP 1117 HB3 0.11 0.01 0.05 -0.04 2.70 2.83 3h4zC1 LEU 1118 H 0.07 1.05 0.52 -0.55 8.37 9.46 3h4zC1 LEU 1118 HA 0.22 0.22 1.21 -0.75 4.35 5.25 3h4zC1 LEU 1118 HB2 0.17 -0.04 -0.15 -0.04 1.64 1.58 3h4zC1 LEU 1118 HB3 0.12 0.00 -0.00 -0.04 1.64 1.72 3h4zC1 LEU 1118 HG 0.37 0.04 -0.26 -0.04 1.64 1.74 3h4zC1 LEU 1118 HD13 0.26 -0.00 -0.01 -0.04 0.93 1.13 3h4zC1 LEU 1118 HD23 0.09 -0.02 -0.16 -0.04 0.89 0.75 3h4zC1 ALA 1119 H 0.22 0.50 0.40 -0.55 8.40 8.98 3h4zC1 ALA 1119 HA 0.05 0.35 0.95 -0.75 4.34 4.94 3h4zC1 ALA 1119 HB3 0.06 -0.01 -0.00 -0.04 1.41 1.41 3h4zC1 TYR 1120 H -0.20 0.50 0.25 -0.55 8.29 8.29 3h4zC1 TYR 1120 HA 0.09 0.03 0.47 -0.75 4.56 4.39 3h4zC1 TYR 1120 HB2 0.38 0.10 0.09 -0.04 3.06 3.58 3h4zC1 TYR 1120 HB3 0.24 0.07 0.01 -0.04 2.98 3.25 3h4zC1 TYR 1120 HD2 0.14 -0.03 -0.33 -0.04 7.15 6.88 3h4zC1 TYR 1120 HE2 0.05 -0.03 -0.18 -0.04 6.85 6.66 3h4zC1 LYS 1121 H 0.15 0.41 -0.04 -0.55 8.42 8.40 3h4zC1 LYS 1121 HA 0.03 0.24 0.71 -0.75 4.32 4.55 3h4zC1 PRO 1127 HA -0.12 -0.11 0.30 -0.51 4.44 4.00 3h4zC1 PRO 1127 HB2 -0.28 0.00 -0.08 -0.04 2.28 1.89 3h4zC1 PRO 1127 HB3 -0.14 -0.03 0.05 -0.04 2.02 1.86 3h4zC1 PRO 1127 HG2 -1.41 -0.05 0.28 -0.04 2.03 0.81 3h4zC1 PRO 1127 HG3 -0.42 -0.06 -0.10 -0.04 2.03 1.41 3h4zC1 PRO 1127 HD2 -0.24 0.30 1.48 -0.04 3.68 5.19 3h4zC1 PRO 1127 HD3 -0.14 -0.07 0.16 -0.04 3.65 3.56 3h4zC1 ASN 1128 H -0.05 0.14 0.18 -0.55 8.53 8.25 3h4zC1 ASN 1128 HA -0.01 0.37 1.16 -0.75 4.76 5.53 3h4zC1 ASN 1128 HB2 0.00 -0.06 0.09 -0.04 2.88 2.88 3h4zC1 ASN 1128 HB3 0.03 0.02 0.07 -0.04 2.79 2.87 3h4zC1 ASN 1128 HD21 -0.01 0.01 -0.05 -0.04 7.03 6.93 3h4zC1 ASN 1128 HD22 -0.01 -0.02 0.01 -0.04 7.74 7.68 3h4zC1 THR 1129 H 0.09 0.74 0.42 -0.55 8.28 8.98 3h4zC1 THR 1129 HA 0.07 0.07 0.65 -0.75 4.39 4.43 3h4zC1 THR 1129 HB 0.14 -0.04 -0.09 -0.04 4.32 4.28 3h4zC1 THR 1129 HG23 0.07 0.15 0.15 -0.04 1.22 1.55 3h4zC1 HIS 1130 H 0.12 0.12 0.25 -0.55 8.41 8.35 3h4zC1 HIS 1130 HA -0.05 0.17 0.91 -0.75 4.63 4.90 3h4zC1 HIS 1130 HB2 -0.01 -0.01 0.12 -0.04 3.26 3.32 3h4zC1 HIS 1130 HB3 -0.02 -0.06 0.16 -0.04 3.20 3.23 3h4zC1 HIS 1130 HD2 -0.03 -0.05 -0.10 -0.04 6.97 6.74 3h4zC1 HIS 1130 HE1 0.00 -0.01 0.00 -0.04 7.75 7.71 3h4zC1 VAL 1131 H -0.92 0.81 0.51 -0.55 8.24 8.10 3h4zC1 VAL 1131 HA -0.28 0.30 1.03 -0.75 4.13 4.42 3h4zC1 VAL 1131 HB -1.47 0.03 -0.07 -0.04 2.12 0.57 3h4zC1 VAL 1131 HG13 -0.20 -0.02 -0.29 -0.04 0.97 0.42 3h4zC1 VAL 1131 HG23 -0.16 -0.02 -0.31 -0.04 0.95 0.43 3h4zC1 ILE 1132 H -0.12 0.33 0.18 -0.55 8.25 8.09 3h4zC1 ILE 1132 HA -0.07 0.26 0.96 -0.75 4.18 4.58 3h4zC1 ILE 1132 HB 0.11 -0.02 0.17 -0.04 1.89 2.10 3h4zC1 ILE 1132 HG12 0.01 0.06 0.02 -0.04 1.49 1.54 3h4zC1 ILE 1132 HG13 -0.10 -0.07 -0.44 -0.04 1.21 0.56 3h4zC1 ILE 1132 HG23 0.11 -0.00 -0.18 -0.04 0.93 0.81 3h4zC1 ILE 1132 HD13 0.10 -0.00 -0.05 -0.04 0.88 0.89 3h4zC1 SER 1133 H 0.14 0.65 0.24 -0.55 8.46 8.95 3h4zC1 SER 1133 HA -0.17 0.35 1.06 -0.75 4.49 4.97 3h4zC1 SER 1133 HB2 -0.05 0.02 0.12 -0.04 3.95 4.00 3h4zC1 SER 1133 HB3 -0.68 0.03 -0.11 -0.04 3.93 3.13 3h4zC1 ASP 1134 H -0.15 0.71 0.38 -0.55 8.40 8.79 3h4zC1 ASP 1134 HA -0.01 0.16 0.87 -0.75 4.63 4.90 3h4zC1 ASP 1134 HB2 -0.03 -0.05 0.10 -0.04 2.71 2.69 3h4zC1 ASP 1134 HB3 0.01 0.00 -0.07 -0.04 2.70 2.60 3h4zC1 ILE 1135 H -0.04 0.42 0.16 -0.55 8.25 8.24 3h4zC1 ILE 1135 HA -0.09 0.28 1.01 -0.75 4.18 4.62 3h4zC1 ILE 1135 HB -0.14 0.14 0.22 -0.04 1.89 2.06 3h4zC1 ILE 1135 HG12 -0.44 0.03 -0.10 -0.04 1.49 0.94 3h4zC1 ILE 1135 HG13 -0.16 -0.06 -0.47 -0.04 1.21 0.48 3h4zC1 ILE 1135 HG23 -0.07 -0.02 -0.15 -0.04 0.93 0.66 3h4zC1 ILE 1135 HD13 -0.91 -0.01 -0.12 -0.04 0.88 -0.21 3h4zC1 GLN 1136 H 0.02 0.29 0.15 -0.55 8.47 8.37 3h4zC1 GLN 1136 HA 0.06 0.13 0.89 -0.75 4.36 4.68 3h4zC1 GLN 1136 HB2 0.03 -0.04 -0.01 -0.04 2.15 2.08 3h4zC1 GLN 1136 HB3 0.04 0.02 0.02 -0.04 2.02 2.06 3h4zC1 GLN 1136 HG2 0.04 0.04 -0.04 -0.04 2.40 2.41 3h4zC1 GLN 1136 HG3 0.05 0.04 0.03 -0.04 2.39 2.47 3h4zC1 GLN 1136 HE21 0.03 -0.01 -0.05 -0.04 6.97 6.90 3h4zC1 GLN 1136 HE22 0.03 0.02 -0.08 -0.04 7.69 7.62 3h4zC1 ASP 1137 H 0.09 0.22 0.18 -0.55 8.40 8.35 3h4zC1 ASP 1137 HA 0.08 0.11 0.36 -0.75 4.63 4.44 3h4zC1 ASP 1137 HB2 0.06 0.14 0.04 -0.04 2.71 2.91 3h4zC1 ASP 1137 HB3 0.04 0.01 0.17 -0.04 2.70 2.87 3h4zC1 PHE 1138 H 0.26 0.07 -0.03 -0.55 8.34 8.08 3h4zC1 PHE 1138 HA 0.17 0.08 0.42 -0.75 4.62 4.54 3h4zC1 PHE 1138 HB2 0.10 0.04 -0.00 -0.04 3.15 3.25 3h4zC1 PHE 1138 HB3 0.07 -0.07 0.12 -0.04 3.06 3.13 3h4zC1 PHE 1138 HD2 0.24 -0.02 -0.12 -0.04 7.28 7.34 3h4zC1 PHE 1138 HE2 0.15 0.01 -0.15 -0.04 7.38 7.35 3h4zC1 PHE 1138 HZ 0.13 -0.01 -0.15 -0.04 7.32 7.25 3h4zC1 VAL 1139 H -0.19 0.23 0.20 -0.55 8.24 7.93 3h4zC1 VAL 1139 HA -0.35 0.23 1.10 -0.75 4.13 4.36 3h4zC1 VAL 1139 HB -0.15 -0.00 0.02 -0.04 2.12 1.95 3h4zC1 VAL 1139 HG13 -0.16 -0.03 -0.21 -0.04 0.97 0.53 3h4zC1 VAL 1139 HG23 -0.06 0.07 -0.24 -0.04 0.95 0.68 3h4zC1 VAL 1140 H -0.32 0.37 0.12 -0.55 8.24 7.86 3h4zC1 VAL 1140 HA -0.44 0.14 1.02 -0.75 4.13 4.10 3h4zC1 VAL 1140 HB -0.30 0.05 0.18 -0.04 2.12 2.01 3h4zC1 VAL 1140 HG13 -0.84 -0.02 -0.24 -0.04 0.97 -0.18 3h4zC1 VAL 1140 HG23 -0.36 -0.01 -0.18 -0.04 0.95 0.36 3h4zC1 GLU 1141 H -0.39 0.57 0.31 -0.55 8.60 8.54 3h4zC1 GLU 1141 HA -0.18 0.26 1.12 -0.75 4.29 4.73 3h4zC1 GLU 1141 HB2 -0.19 -0.03 0.16 -0.04 2.09 1.99 3h4zC1 GLU 1141 HB3 -0.14 0.05 0.05 -0.04 1.99 1.90 3h4zC1 GLU 1141 HG2 -0.14 0.05 -0.04 -0.04 2.34 2.17 3h4zC1 GLU 1141 HG3 -0.19 -0.09 -0.21 -0.04 2.34 1.80 3h4zC1 LEU 1142 H -0.11 0.64 0.33 -0.55 8.37 8.69 3h4zC1 LEU 1142 HA -0.08 0.34 1.07 -0.75 4.35 4.94 3h4zC1 LEU 1142 HB2 -0.06 -0.11 -0.01 -0.04 1.64 1.42 3h4zC1 LEU 1142 HB3 -0.04 -0.02 -0.01 -0.04 1.64 1.53 3h4zC1 LEU 1142 HG -0.24 -0.02 -0.33 -0.04 1.64 1.00 3h4zC1 LEU 1142 HD13 -0.19 -0.01 -0.15 -0.04 0.93 0.54 3h4zC1 LEU 1142 HD23 -0.11 0.04 -0.10 -0.04 0.89 0.68 3h4zC1 SER 1143 H 0.03 0.25 0.18 -0.55 8.46 8.37 3h4zC1 SER 1143 HA 0.06 0.35 0.93 -0.75 4.49 5.07 3h4zC1 SER 1143 HB2 0.05 -0.12 0.18 -0.04 3.95 4.01 3h4zC1 SER 1143 HB3 0.05 0.03 0.07 -0.04 3.93 4.05 3h4zC1 LEU 1144 H 0.00 0.43 0.25 -0.55 8.37 8.51 3h4zC1 LEU 1144 HA 0.02 0.33 0.90 -0.75 4.35 4.85 3h4zC1 LEU 1144 HB2 0.00 -0.03 0.05 -0.04 1.64 1.62 3h4zC1 LEU 1144 HB3 0.01 -0.06 0.09 -0.04 1.64 1.64 3h4zC1 LEU 1144 HG 0.01 -0.06 -0.09 -0.04 1.64 1.47 3h4zC1 LEU 1144 HD13 0.02 -0.00 -0.08 -0.04 0.93 0.83 3h4zC1 LEU 1144 HD23 0.03 0.01 -0.11 -0.04 0.89 0.78 3h4zC1 GLU 1145 H 0.01 0.11 0.19 -0.55 8.60 8.36 3h4zC1 GLU 1145 HA -0.01 0.36 0.70 -0.75 4.29 4.59 3h4zC1 GLU 1145 HB2 0.00 0.06 -0.24 -0.04 2.09 1.87 3h4zC1 GLU 1145 HB3 0.01 -0.05 0.06 -0.04 1.99 1.96 3h4zC1 GLU 1145 HG2 0.00 -0.04 -0.23 -0.04 2.34 2.03 3h4zC1 GLU 1145 HG3 -0.00 0.04 -0.17 -0.04 2.34 2.17 3h4zC1 VAL 1146 H -0.01 0.40 0.17 -0.55 8.24 8.26 3h4zC1 VAL 1146 HA -0.00 0.21 0.58 -0.75 4.13 4.17 3h4zC1 VAL 1146 HB -0.01 -0.08 0.12 -0.04 2.12 2.11 3h4zC1 VAL 1146 HG13 -0.01 0.08 -0.23 -0.04 0.97 0.77 3h4zC1 VAL 1146 HG23 -0.00 -0.01 -0.06 -0.04 0.95 0.83 3h4zC1 SER 1147 H -0.00 0.50 0.25 -0.55 8.46 8.66 3h4zC1 SER 1147 HA -0.00 0.14 0.58 -0.75 4.49 4.45 3h4zC1 SER 1147 HB2 -0.00 -0.09 0.20 -0.04 3.95 4.02 3h4zC1 SER 1147 HB3 -0.00 0.14 0.13 -0.04 3.93 4.16 3h4zC1 GLU 1148 H -0.01 0.14 0.18 -0.55 8.60 8.37 3h4zC1 GLU 1148 HA -0.01 0.17 0.46 -0.75 4.29 4.16 3h4zC1 GLU 1148 HB2 -0.01 -0.06 0.12 -0.04 2.09 2.10 3h4zC1 GLU 1148 HB3 -0.01 0.03 0.07 -0.04 1.99 2.04 3h4zC1 GLU 1148 HG2 -0.01 0.32 0.15 -0.04 2.34 2.76 3h4zC1 GLU 1148 HG3 -0.00 -0.03 0.10 -0.04 2.34 2.37 3h4zC1 GLU 1149 H -0.01 0.03 -0.07 -0.55 8.60 8.01 3h4zC1 GLU 1149 HA -0.01 0.10 0.39 -0.75 4.29 4.01 3h4zC1 GLY 1150 H -0.01 0.09 -0.72 -0.55 8.43 7.24 3h4zC1 GLY 1150 HA2 -0.01 0.08 0.16 -0.51 4.01 3.73 3h4zC1 GLY 1150 HA3 -0.01 0.19 0.73 -0.51 4.01 4.41 3h4zC1 ASN 1151 H -0.00 -0.09 -0.06 -0.55 8.53 7.84 3h4zC1 ASN 1151 HA -0.00 0.18 0.74 -0.75 4.76 4.93 3h4zC1 ASN 1151 HB2 -0.00 -0.12 0.10 -0.04 2.88 2.82 3h4zC1 ASN 1151 HB3 0.00 0.11 -0.01 -0.04 2.79 2.85 3h4zC1 ASN 1151 HD21 -0.00 0.08 -0.06 -0.04 7.03 7.00 3h4zC1 ASN 1151 HD22 -0.00 -0.11 -0.02 -0.04 7.74 7.56 3h4zC1 MET 1152 H 0.00 0.18 0.17 -0.55 8.47 8.28 3h4zC1 MET 1152 HA 0.01 0.04 0.50 -0.75 4.52 4.31 3h4zC1 MET 1152 HB2 0.01 0.02 0.06 -0.04 2.15 2.20 3h4zC1 MET 1152 HB3 0.01 0.23 0.07 -0.04 2.03 2.30 3h4zC1 MET 1152 HG2 0.02 -0.01 -0.21 -0.04 2.63 2.38 3h4zC1 MET 1152 HG3 0.01 -0.12 -0.02 -0.04 2.56 2.39 3h4zC1 MET 1152 HE3 0.01 -0.01 -0.00 -0.04 2.10 2.06 3h4zC1 THR 1153 H 0.01 0.03 0.13 -0.55 8.28 7.91 3h4zC1 THR 1153 HA 0.02 0.17 0.68 -0.75 4.39 4.50 3h4zC1 THR 1153 HB 0.01 0.00 -0.00 -0.04 4.32 4.29 3h4zC1 THR 1153 HG23 0.01 0.01 -0.15 -0.04 1.22 1.05 3h4zC1 LEU 1154 H 0.02 0.23 0.04 -0.55 8.37 8.12 3h4zC1 LEU 1154 HA 0.04 0.15 0.81 -0.75 4.35 4.58 3h4zC1 LEU 1154 HB2 0.04 -0.02 -0.04 -0.04 1.64 1.58 3h4zC1 LEU 1154 HB3 0.03 0.02 0.12 -0.04 1.64 1.78 3h4zC1 LEU 1154 HG 0.07 -0.03 -0.09 -0.04 1.64 1.54 3h4zC1 LEU 1154 HD13 0.03 0.00 -0.15 -0.04 0.93 0.77 3h4zC1 LEU 1154 HD23 0.11 0.01 -0.48 -0.04 0.89 0.48 3h4zC1 THR 1155 H 0.03 0.67 0.26 -0.55 8.28 8.70 3h4zC1 THR 1155 HA 0.03 0.10 0.56 -0.75 4.39 4.32 3h4zC1 THR 1155 HB 0.03 -0.04 -0.03 -0.04 4.32 4.24 3h4zC1 THR 1155 HG23 0.02 -0.01 -0.13 -0.04 1.22 1.06 3h4zC1 SER 1156 H 0.05 0.22 0.11 -0.55 8.46 8.30 3h4zC1 SER 1156 HA 0.06 0.14 0.57 -0.75 4.49 4.52 3h4zC1 SER 1156 HB2 0.02 -0.00 -0.04 -0.04 3.95 3.88 3h4zC1 SER 1156 HB3 0.03 0.10 -0.20 -0.04 3.93 3.82 3h4zC1 PHE 1157 H 0.13 0.26 0.04 -0.55 8.34 8.22 3h4zC1 PHE 1157 HA -0.08 0.30 0.82 -0.75 4.62 4.90 3h4zC1 PHE 1157 HB2 -0.05 0.00 -0.17 -0.04 3.15 2.89 3h4zC1 PHE 1157 HB3 -0.01 -0.01 0.07 -0.04 3.06 3.08 3h4zC1 PHE 1157 HD2 -0.14 -0.01 -0.13 -0.04 7.28 6.95 3h4zC1 PHE 1157 HE2 -0.41 -0.01 -0.13 -0.04 7.38 6.79 3h4zC1 PHE 1157 HZ 0.14 0.04 -0.19 -0.04 7.32 7.27 3h4zC1 GLU 1158 H -0.44 0.44 0.21 -0.55 8.60 8.26 3h4zC1 GLU 1158 HA -0.10 0.14 0.84 -0.75 4.29 4.42 3h4zC1 GLU 1158 HB2 -0.15 -0.03 -0.02 -0.04 2.09 1.85 3h4zC1 GLU 1158 HB3 -0.12 0.08 -0.10 -0.04 1.99 1.81 3h4zC1 GLU 1158 HG2 -0.03 -0.13 -0.55 -0.04 2.34 1.58 3h4zC1 GLU 1158 HG3 -0.05 -0.00 -0.12 -0.04 2.34 2.13 3h4zC1 VAL 1159 H -0.12 0.16 0.10 -0.55 8.24 7.84 3h4zC1 VAL 1159 HA -0.30 0.12 0.77 -0.75 4.13 3.97 3h4zC1 VAL 1159 HB -0.05 -0.02 0.14 -0.04 2.12 2.14 3h4zC1 VAL 1159 HG13 0.03 0.06 -0.11 -0.04 0.97 0.91 3h4zC1 VAL 1159 HG23 0.13 -0.02 -0.08 -0.04 0.95 0.94 3h4zC1 ARG 1160 H -0.26 0.39 0.25 -0.55 8.46 8.29 3h4zC1 ARG 1160 HA -0.16 -0.03 0.32 -0.75 4.34 3.72 3h4zC1 ARG 1160 HB2 -0.17 -0.05 0.02 -0.04 1.90 1.65 3h4zC1 ARG 1160 HB3 -0.15 0.01 0.02 -0.04 1.80 1.65 3h4zC1 ARG 1160 HG2 -0.08 0.21 -0.08 -0.04 1.67 1.68 3h4zC1 ARG 1160 HG3 -0.10 -0.14 0.08 -0.04 1.67 1.47 3h4zC1 ARG 1160 HD2 -0.07 -0.00 -0.02 -0.04 3.22 3.09 3h4zC1 ARG 1160 HD3 -0.11 -0.04 -0.03 -0.04 3.22 3.00 3h4zC1 GLN 1161 H -0.12 0.04 0.13 -0.55 8.47 7.97 3h4zC1 GLN 1161 HA -0.22 0.00 0.41 -0.75 4.36 3.79 3h4zC1 GLN 1161 HB2 -0.07 -0.04 0.15 -0.04 2.15 2.15 3h4zC1 GLN 1161 HB3 -0.05 -0.01 0.07 -0.04 2.02 1.99 3h4zC1 GLN 1161 HG2 -0.02 -0.03 -0.01 -0.04 2.40 2.30 3h4zC1 GLN 1161 HG3 0.00 0.18 -0.09 -0.04 2.39 2.44 3h4zC1 GLN 1161 HE21 -0.04 0.04 0.06 -0.04 6.97 6.99 3h4zC1 GLN 1161 HE22 -0.05 -0.05 0.05 -0.04 7.69 7.61 3h4zC1 PHE 1162 H -0.28 0.01 0.17 -0.55 8.34 7.69 3h4zC1 PHE 1162 HA 0.07 0.07 0.41 -0.75 4.62 4.41 3h4zC1 PHE 1162 HB2 0.07 -0.04 0.00 -0.04 3.15 3.15 3h4zC1 PHE 1162 HB3 0.09 0.01 -0.10 -0.04 3.06 3.02 3h4zC1 PHE 1162 HD2 0.18 -0.01 -0.06 -0.04 7.28 7.35 3h4zC1 PHE 1162 HE2 0.26 0.00 -0.22 -0.04 7.38 7.39 3h4zC1 PHE 1162 HZ 0.08 -0.01 -0.12 -0.04 7.32 7.22 3h4zC1 ALA 1163 H 0.20 0.19 0.18 -0.55 8.40 8.42 3h4zC1 ALA 1163 HA 0.06 0.07 0.45 -0.75 4.34 4.16 3h4zC1 ALA 1163 HB3 0.06 0.02 0.15 -0.04 1.41 1.60 3h4zC1 ASN 1164 H 0.09 0.23 0.08 -0.55 8.53 8.38 3h4zC1 ASN 1164 HA 0.03 0.14 0.55 -0.75 4.76 4.72 3h4zC1 ASN 1164 HB2 0.02 0.14 -0.18 -0.04 2.88 2.81 3h4zC1 ASN 1164 HB3 0.02 -0.07 -0.08 -0.04 2.79 2.62 3h4zC1 ASN 1164 HD21 -0.02 -0.01 -0.16 -0.04 7.03 6.80 3h4zC1 ASN 1164 HD22 -0.00 -0.04 -0.16 -0.04 7.74 7.49 3h4zC1 VAL 1165 H -0.04 0.23 0.12 -0.55 8.24 8.00 3h4zC1 VAL 1165 HA -0.13 0.42 1.12 -0.75 4.13 4.78 3h4zC1 VAL 1165 HB -0.16 -0.04 0.08 -0.04 2.12 1.96 3h4zC1 VAL 1165 HG13 -0.51 0.01 -0.24 -0.04 0.97 0.19 3h4zC1 VAL 1165 HG23 -0.06 0.01 -0.19 -0.04 0.95 0.67 3h4zC1 VAL 1166 H -0.15 0.59 0.24 -0.55 8.24 8.37 3h4zC1 VAL 1166 HA -0.15 0.16 0.88 -0.75 4.13 4.27 3h4zC1 VAL 1166 HB -0.15 -0.09 0.17 -0.04 2.12 2.01 3h4zC1 VAL 1166 HG13 -0.36 0.01 -0.16 -0.04 0.97 0.42 3h4zC1 VAL 1166 HG23 -0.05 0.02 -0.12 -0.04 0.95 0.76 3h4zC1 ASN 1167 H -0.16 0.22 0.15 -0.55 8.53 8.20 3h4zC1 ASN 1167 HA -0.22 0.14 0.83 -0.75 4.76 4.76 3h4zC1 ASN 1167 HB2 -0.13 0.01 0.14 -0.04 2.88 2.85 3h4zC1 ASN 1167 HB3 -0.10 -0.03 -0.09 -0.04 2.79 2.53 3h4zC1 ASN 1167 HD21 -0.24 0.04 -0.07 -0.04 7.03 6.72 3h4zC1 ASN 1167 HD22 -0.20 -0.01 0.02 -0.04 7.74 7.50 3h4zC1 HIS 1168 H -0.08 0.45 0.11 -0.55 8.41 8.34 3h4zC1 HIS 1168 HA 0.02 0.17 0.88 -0.75 4.63 4.95 3h4zC1 HIS 1168 HB2 -0.04 -0.04 0.34 -0.04 3.26 3.48 3h4zC1 HIS 1168 HB3 -0.02 -0.03 0.07 -0.04 3.20 3.18 3h4zC1 HIS 1168 HD2 -0.02 0.03 -0.01 -0.04 6.97 6.92 3h4zC1 HIS 1168 HE1 -0.01 -0.01 -0.08 -0.04 7.75 7.61 3h4zC1 ILE 1169 H 0.21 0.24 -0.06 -0.55 8.25 8.10 3h4zC1 ILE 1169 HA 0.01 0.13 0.72 -0.75 4.18 4.28 3h4zC1 ILE 1169 HB 0.25 -0.01 0.05 -0.04 1.89 2.14 3h4zC1 ILE 1169 HG12 0.01 0.02 -0.17 -0.04 1.49 1.30 3h4zC1 ILE 1169 HG13 0.16 -0.03 -0.17 -0.04 1.21 1.12 3h4zC1 ILE 1169 HG23 0.07 0.04 -0.18 -0.04 0.93 0.82 3h4zC1 ILE 1169 HD13 -0.08 0.00 -0.10 -0.04 0.88 0.66 3h4zC1 GLY 1170 H 0.02 0.55 0.31 -0.55 8.43 8.78 3h4zC1 GLY 1170 HA2 0.03 -0.03 0.37 -0.51 4.01 3.87 3h4zC1 GLY 1170 HA3 0.05 0.03 0.40 -0.51 4.01 3.97 3h4zC1 GLY 1171 H 0.01 0.12 0.17 -0.55 8.43 8.18 3h4zC1 GLY 1171 HA2 0.00 -0.01 0.33 -0.51 4.01 3.82 3h4zC1 GLY 1171 HA3 0.02 0.06 0.37 -0.51 4.01 3.95 3h4zC1 LEU 1172 H 0.01 0.37 -0.52 -0.55 8.37 7.68 3h4zC1 LEU 1172 HA 0.02 0.10 0.90 -0.75 4.35 4.61 3h4zC1 LEU 1172 HB2 0.09 0.13 -0.23 -0.04 1.64 1.60 3h4zC1 LEU 1172 HB3 0.09 0.00 -0.08 -0.04 1.64 1.61 3h4zC1 LEU 1172 HG 0.10 -0.05 -0.08 -0.04 1.64 1.58 3h4zC1 LEU 1172 HD13 0.08 0.00 -0.01 -0.04 0.93 0.96 3h4zC1 LEU 1172 HD23 0.11 -0.01 -0.18 -0.04 0.89 0.76 3h4zC1 SER 1173 H -0.05 0.13 0.13 -0.55 8.46 8.14 3h4zC1 SER 1173 HA -0.16 0.14 0.58 -0.75 4.49 4.30 3h4zC1 SER 1173 HB2 -0.06 0.12 0.11 -0.04 3.95 4.08 3h4zC1 SER 1173 HB3 -0.06 -0.05 0.18 -0.04 3.93 3.96 3h4zC1 ILE 1174 H -0.33 0.21 0.21 -0.55 8.25 7.79 3h4zC1 ILE 1174 HA -1.86 0.10 0.35 -0.75 4.18 2.01 3h4zC1 ILE 1174 HB -0.39 0.06 0.16 -0.04 1.89 1.67 3h4zC1 ILE 1174 HG12 -0.10 0.02 -0.14 -0.04 1.49 1.22 3h4zC1 ILE 1174 HG13 -0.13 0.02 0.12 -0.04 1.21 1.19 3h4zC1 ILE 1174 HG23 -0.16 -0.00 0.04 -0.04 0.93 0.77 3h4zC1 ILE 1174 HD13 -0.04 0.00 0.01 -0.04 0.88 0.81 3h4zC1 LEU 1175 H -0.17 -0.15 -0.80 -0.55 8.37 6.70 3h4zC1 LEU 1175 HA -0.00 0.23 0.72 -0.75 4.35 4.54 3h4zC1 LEU 1175 HB2 -0.05 -0.03 -0.04 -0.04 1.64 1.47 3h4zC1 LEU 1175 HB3 -0.04 -0.03 -0.06 -0.04 1.64 1.47 3h4zC1 LEU 1175 HG -0.01 0.05 0.04 -0.04 1.64 1.68 3h4zC1 LEU 1175 HD13 -0.02 -0.00 -0.02 -0.04 0.93 0.85 3h4zC1 LEU 1175 HD23 -0.00 -0.00 -0.00 -0.04 0.89 0.84 3h4zC1 ASP 1176 H -0.06 0.41 -0.05 -0.55 8.40 8.16 3h4zC1 ASP 1176 HA 0.02 0.10 0.44 -0.75 4.63 4.44 3h4zC1 ASP 1176 HB2 0.04 0.28 0.21 -0.04 2.71 3.20 3h4zC1 ASP 1176 HB3 0.06 -0.20 0.02 -0.04 2.70 2.55 3h4zC1 PRO 1177 HA 0.01 0.13 0.46 -0.51 4.44 4.53 3h4zC1 PRO 1177 HB2 -0.00 -0.00 0.09 -0.04 2.28 2.33 3h4zC1 PRO 1177 HB3 -0.00 0.07 0.11 -0.04 2.02 2.16 3h4zC1 PRO 1177 HG2 0.01 0.05 0.12 -0.04 2.03 2.16 3h4zC1 PRO 1177 HG3 0.01 0.12 0.14 -0.04 2.03 2.25 3h4zC1 PRO 1177 HD2 0.02 0.04 0.25 -0.04 3.68 3.95 3h4zC1 PRO 1177 HD3 0.01 0.18 0.28 -0.04 3.65 4.08 3h4zC1 ILE 1178 H 0.01 0.14 -0.13 -0.55 8.25 7.72 3h4zC1 ILE 1178 HA -0.12 0.11 0.37 -0.75 4.18 3.78 3h4zC1 ILE 1178 HB -0.01 0.05 0.06 -0.04 1.89 1.96 3h4zC1 ILE 1178 HG12 0.03 0.04 -0.09 -0.04 1.49 1.44 3h4zC1 ILE 1178 HG13 -0.17 -0.02 -0.32 -0.04 1.21 0.66 3h4zC1 ILE 1178 HG23 0.04 0.00 -0.05 -0.04 0.93 0.88 3h4zC1 ILE 1178 HD13 -0.22 0.01 0.01 -0.04 0.88 0.64 3h4zC1 PHE 1179 H 0.11 0.14 -0.56 -0.55 8.34 7.48 3h4zC1 PHE 1179 HA -0.14 -0.01 0.36 -0.75 4.62 4.08 3h4zC1 PHE 1179 HB2 -0.06 -0.09 -0.06 -0.04 3.15 2.90 3h4zC1 PHE 1179 HB3 -0.06 0.39 0.00 -0.04 3.06 3.35 3h4zC1 PHE 1179 HD2 -0.06 0.07 -0.17 -0.04 7.28 7.07 3h4zC1 PHE 1179 HE2 -0.06 -0.02 0.01 -0.04 7.38 7.26 3h4zC1 PHE 1179 HZ -0.08 0.07 0.09 -0.04 7.32 7.36 3h4zC1 ALA 1180 H 0.00 0.39 -0.24 -0.55 8.40 8.00 3h4zC1 ALA 1180 HA -0.25 0.03 0.39 -0.75 4.34 3.75 3h4zC1 ALA 1180 HB3 -0.04 0.06 0.09 -0.04 1.41 1.48 3h4zC1 VAL 1181 H -0.21 0.33 -0.29 -0.55 8.24 7.52 3h4zC1 VAL 1181 HA -0.18 0.06 0.43 -0.75 4.13 3.69 3h4zC1 VAL 1181 HB -0.51 0.09 0.05 -0.04 2.12 1.70 3h4zC1 VAL 1181 HG13 -0.31 -0.01 -0.00 -0.04 0.97 0.61 3h4zC1 VAL 1181 HG23 -0.17 0.06 0.05 -0.04 0.95 0.84 3h4zC1 LEU 1182 H -0.39 0.38 -0.15 -0.55 8.37 7.67 3h4zC1 LEU 1182 HA -0.24 0.06 0.45 -0.75 4.35 3.86 3h4zC1 LEU 1182 HB2 -0.35 0.03 0.13 -0.04 1.64 1.40 3h4zC1 LEU 1182 HB3 -0.23 -0.04 -0.08 -0.04 1.64 1.25 3h4zC1 LEU 1182 HG -0.52 0.21 0.03 -0.04 1.64 1.31 3h4zC1 LEU 1182 HD13 -0.73 -0.01 -0.12 -0.04 0.93 0.02 3h4zC1 LEU 1182 HD23 -0.41 -0.01 -0.09 -0.04 0.89 0.34 3h4zC1 SER 1183 H -0.60 0.58 0.03 -0.55 8.46 7.93 3h4zC1 SER 1183 HA -0.28 -0.05 0.32 -0.75 4.49 3.73 3h4zC1 SER 1183 HB2 -1.03 0.00 0.11 -0.04 3.95 3.00 3h4zC1 SER 1183 HB3 -0.71 0.12 0.11 -0.04 3.93 3.41 3h4zC1 ASP 1184 H -0.27 0.40 -0.43 -0.55 8.40 7.56 3h4zC1 ASP 1184 HA -0.11 0.00 0.37 -0.75 4.63 4.13 3h4zC1 ASP 1184 HB2 -0.15 0.52 0.24 -0.04 2.71 3.29 3h4zC1 ASP 1184 HB3 -0.10 0.04 0.10 -0.04 2.70 2.70 3h4zC1 VAL 1185 H -0.10 0.47 -0.17 -0.55 8.24 7.89 3h4zC1 VAL 1185 HA 0.01 0.05 0.56 -0.75 4.13 4.00 3h4zC1 VAL 1185 HB 0.05 0.08 0.12 -0.04 2.12 2.33 3h4zC1 VAL 1185 HG13 0.11 -0.03 -0.14 -0.04 0.97 0.87 3h4zC1 VAL 1185 HG23 0.07 0.04 0.08 -0.04 0.95 1.10 3h4zC1 LEU 1186 H -0.07 0.89 -0.01 -0.55 8.37 8.64 3h4zC1 LEU 1186 HA 0.05 0.01 0.36 -0.75 4.35 4.02 3h4zC1 LEU 1186 HB2 -0.10 0.05 0.01 -0.04 1.64 1.56 3h4zC1 LEU 1186 HB3 -0.02 -0.05 -0.11 -0.04 1.64 1.42 3h4zC1 LEU 1186 HG -0.01 0.13 -0.11 -0.04 1.64 1.60 3h4zC1 LEU 1186 HD13 0.07 -0.02 -0.22 -0.04 0.93 0.71 3h4zC1 LEU 1186 HD23 0.14 -0.01 -0.13 -0.04 0.89 0.86 3h4zC1 THR 1187 H -0.10 0.68 -0.21 -0.55 8.28 8.10 3h4zC1 THR 1187 HA -0.16 -0.01 0.37 -0.75 4.39 3.83 3h4zC1 THR 1187 HB -0.06 0.17 0.11 -0.04 4.32 4.50 3h4zC1 THR 1187 HG23 -0.00 -0.03 -0.09 -0.04 1.22 1.06 3h4zC1 ALA 1188 H 0.00 0.34 -0.33 -0.55 8.40 7.87 3h4zC1 ALA 1188 HA 0.05 0.03 0.37 -0.75 4.34 4.03 3h4zC1 ALA 1188 HB3 0.03 0.07 0.12 -0.04 1.41 1.59 3h4zC1 ILE 1189 H 0.05 0.67 -0.14 -0.55 8.25 8.28 3h4zC1 ILE 1189 HA -0.03 0.01 0.30 -0.75 4.18 3.71 3h4zC1 ILE 1189 HB 0.02 0.10 0.06 -0.04 1.89 2.03 3h4zC1 ILE 1189 HG12 0.01 -0.04 -0.05 -0.04 1.49 1.37 3h4zC1 ILE 1189 HG13 0.04 0.24 0.03 -0.04 1.21 1.48 3h4zC1 ILE 1189 HG23 -0.47 -0.02 -0.07 -0.04 0.93 0.32 3h4zC1 ILE 1189 HD13 0.11 -0.03 -0.17 -0.04 0.88 0.75 3h4zC1 PHE 1190 H 0.26 0.37 -0.79 -0.55 8.34 7.63 3h4zC1 PHE 1190 HA 0.00 0.00 0.62 -0.75 4.62 4.49 3h4zC1 PHE 1190 HB2 0.02 0.20 0.22 -0.04 3.15 3.55 3h4zC1 PHE 1190 HB3 0.15 -0.03 -0.02 -0.04 3.06 3.12 3h4zC1 PHE 1190 HD2 -0.23 0.07 -0.12 -0.04 7.28 6.95 3h4zC1 PHE 1190 HE2 -0.26 0.01 -0.14 -0.04 7.38 6.95 3h4zC1 PHE 1190 HZ -0.03 0.02 -0.05 -0.04 7.32 7.22 3h4zC1 GLN 1191 H 0.29 0.55 0.09 -0.55 8.47 8.86 3h4zC1 GLN 1191 HA 0.02 0.04 0.65 -0.75 4.36 4.32 3h4zC1 GLN 1191 HB2 -0.03 -0.02 0.24 -0.04 2.15 2.29 3h4zC1 GLN 1191 HB3 0.33 -0.06 0.13 -0.04 2.02 2.38 3h4zC1 GLN 1191 HG2 0.17 0.22 0.14 -0.04 2.40 2.88 3h4zC1 GLN 1191 HG3 0.07 0.01 -0.03 -0.04 2.39 2.39 3h4zC1 GLN 1191 HE21 0.06 0.03 -0.05 -0.04 6.97 6.97 3h4zC1 GLN 1191 HE22 0.06 -0.02 -0.07 -0.04 7.69 7.62 3h4zC1 ASP 1192 H 0.06 -0.04 -0.75 -0.55 8.40 7.12 3h4zC1 ASP 1192 HA -0.00 0.18 0.84 -0.75 4.63 4.89 3h4zC1 THR 1193 H -0.02 0.01 -0.06 -0.55 8.28 7.66 3h4zC1 THR 1193 HA -0.01 0.20 0.91 -0.75 4.39 4.73 3h4zC1 THR 1193 HB -0.20 0.29 0.21 -0.04 4.32 4.58 3h4zC1 THR 1193 HG23 -0.03 -0.01 -0.09 -0.04 1.22 1.05 3h4zC1 VAL 1194 H -0.12 0.42 0.38 -0.55 8.24 8.37 3h4zC1 VAL 1194 HA -0.12 0.11 0.54 -0.75 4.13 3.90 3h4zC1 VAL 1194 HB -0.32 0.12 0.25 -0.04 2.12 2.13 3h4zC1 VAL 1194 HG13 -0.34 -0.01 -0.08 -0.04 0.97 0.50 3h4zC1 VAL 1194 HG23 -0.56 0.07 0.04 -0.04 0.95 0.46 3h4zC1 ARG 1195 H 0.03 0.58 0.16 -0.55 8.46 8.68 3h4zC1 ARG 1195 HA 0.08 0.05 0.37 -0.75 4.34 4.09 3h4zC1 ARG 1195 HB2 -0.20 0.04 0.16 -0.04 1.90 1.86 3h4zC1 ARG 1195 HB3 -0.11 -0.02 -0.09 -0.04 1.80 1.54 3h4zC1 ARG 1195 HG2 -0.19 -0.01 -0.18 -0.04 1.67 1.25 3h4zC1 ARG 1195 HG3 -0.40 -0.04 -0.03 -0.04 1.67 1.16 3h4zC1 ARG 1195 HD2 -0.50 0.26 -0.39 -0.04 3.22 2.55 3h4zC1 ARG 1195 HD3 -1.00 -0.16 0.01 -0.04 3.22 2.03 3h4zC1 ALA 1196 H -0.02 0.10 -0.47 -0.55 8.40 7.46 3h4zC1 ALA 1196 HA 0.01 0.03 0.36 -0.75 4.34 3.99 3h4zC1 ALA 1196 HB3 0.00 0.05 -0.04 -0.04 1.41 1.38 3h4zC1 GLU 1197 H 0.00 0.31 -0.48 -0.55 8.60 7.89 3h4zC1 GLU 1197 HA 0.03 0.03 0.47 -0.75 4.29 4.07 3h4zC1 GLU 1197 HB2 -0.01 0.04 0.15 -0.04 2.09 2.23 3h4zC1 GLU 1197 HB3 -0.02 0.13 0.25 -0.04 1.99 2.31 3h4zC1 GLU 1197 HG2 -0.02 -0.01 0.03 -0.04 2.34 2.29 3h4zC1 GLU 1197 HG3 0.01 -0.00 -0.27 -0.04 2.34 2.04 3h4zC1 MET 1198 H 0.06 0.59 -0.06 -0.55 8.47 8.51 3h4zC1 MET 1198 HA 0.13 0.06 0.41 -0.75 4.52 4.37 3h4zC1 MET 1198 HB2 0.18 0.09 0.11 -0.04 2.15 2.49 3h4zC1 MET 1198 HB3 0.21 -0.05 0.01 -0.04 2.03 2.16 3h4zC1 MET 1198 HG2 0.05 -0.03 -0.01 -0.04 2.63 2.59 3h4zC1 MET 1198 HG3 0.04 0.36 0.09 -0.04 2.56 3.02 3h4zC1 MET 1198 HE3 -0.09 -0.01 -0.09 -0.04 2.10 1.87 3h4zC1 THR 1199 H 0.12 0.45 -0.22 -0.55 8.28 8.08 3h4zC1 THR 1199 HA 0.40 -0.01 0.45 -0.75 4.39 4.48 3h4zC1 THR 1199 HB 0.10 0.14 0.16 -0.04 4.32 4.68 3h4zC1 THR 1199 HG23 0.24 -0.02 -0.01 -0.04 1.22 1.38 3h4zC1 LYS 1200 H 0.09 0.51 -0.10 -0.55 8.42 8.37 3h4zC1 LYS 1200 HA 0.07 -0.01 0.39 -0.75 4.32 4.02 3h4zC1 LYS 1200 HB2 0.05 -0.00 0.17 -0.04 1.87 2.04 3h4zC1 LYS 1200 HB3 0.05 0.15 0.21 -0.04 1.79 2.16 3h4zC1 LYS 1200 HG2 0.04 0.02 -0.15 -0.04 1.46 1.33 3h4zC1 LYS 1200 HG3 0.03 -0.06 0.08 -0.04 1.46 1.48 3h4zC1 LYS 1200 HD2 0.03 -0.03 0.02 -0.04 1.69 1.66 3h4zC1 LYS 1200 HD3 0.03 0.03 0.02 -0.04 1.68 1.72 3h4zC1 LYS 1200 HE2 0.02 0.01 -0.01 -0.04 2.99 2.96 3h4zC1 LYS 1200 HE3 0.02 -0.03 0.01 -0.04 2.99 2.95 3h4zC1 VAL 1201 H 0.13 0.19 -0.65 -0.55 8.24 7.36 3h4zC1 VAL 1201 HA 0.11 0.11 0.76 -0.75 4.13 4.36 3h4zC1 VAL 1201 HB 0.17 0.03 0.11 -0.04 2.12 2.40 3h4zC1 VAL 1201 HG13 0.13 -0.02 -0.07 -0.04 0.97 0.97 3h4zC1 VAL 1201 HG23 0.04 0.08 0.00 -0.04 0.95 1.02 3h4zC1 LEU 1202 H 0.21 0.62 0.09 -0.55 8.37 8.75 3h4zC1 LEU 1202 HA -0.04 0.06 0.57 -0.75 4.35 4.18 3h4zC1 LEU 1202 HB2 0.41 0.05 0.14 -0.04 1.64 2.20 3h4zC1 LEU 1202 HB3 0.29 -0.09 -0.05 -0.04 1.64 1.75 3h4zC1 LEU 1202 HG 0.32 0.05 0.05 -0.04 1.64 2.02 3h4zC1 LEU 1202 HD13 0.41 -0.03 -0.11 -0.04 0.93 1.16 3h4zC1 LEU 1202 HD23 -0.00 -0.01 -0.05 -0.04 0.89 0.79 3h4zC1 ALA 1203 H -0.08 0.67 0.05 -0.55 8.40 8.49 3h4zC1 ALA 1203 HA -1.37 -0.07 0.32 -0.75 4.34 2.47 3h4zC1 ALA 1203 HB3 -0.02 0.02 0.06 -0.04 1.41 1.43 3h4zC1 PRO 1204 HA -0.03 -0.02 0.36 -0.51 4.44 4.23 3h4zC1 PRO 1204 HB2 0.04 0.10 -0.01 -0.04 2.28 2.37 3h4zC1 PRO 1204 HB3 0.01 -0.02 0.05 -0.04 2.02 2.02 3h4zC1 PRO 1204 HG2 0.03 0.19 0.09 -0.04 2.03 2.30 3h4zC1 PRO 1204 HG3 0.01 -0.05 0.05 -0.04 2.03 2.00 3h4zC1 PRO 1204 HD2 0.02 0.16 -0.55 -0.04 3.68 3.27 3h4zC1 PRO 1204 HD3 -0.01 0.10 -0.01 -0.04 3.65 3.69 3h4zC1 ALA 1205 H -0.08 0.32 -0.47 -0.55 8.40 7.62 3h4zC1 ALA 1205 HA -0.08 -0.01 0.35 -0.75 4.34 3.86 3h4zC1 ALA 1205 HB3 -0.42 0.05 0.08 -0.04 1.41 1.09 3h4zC1 PHE 1206 H -0.15 0.53 -0.07 -0.55 8.34 8.09 3h4zC1 PHE 1206 HA -0.13 0.03 0.44 -0.75 4.62 4.21 3h4zC1 PHE 1206 HB2 -0.46 0.17 0.13 -0.04 3.15 2.95 3h4zC1 PHE 1206 HB3 -0.11 -0.09 -0.09 -0.04 3.06 2.74 3h4zC1 PHE 1206 HD2 -0.23 0.03 -0.08 -0.04 7.28 6.96 3h4zC1 PHE 1206 HE2 0.09 -0.01 -0.11 -0.04 7.38 7.31 3h4zC1 PHE 1206 HZ 0.06 0.03 -0.12 -0.04 7.32 7.25 3h4zC1 LYS 1207 H -0.02 0.54 -0.09 -0.55 8.42 8.30 3h4zC1 LYS 1207 HA 0.03 -0.07 0.33 -0.75 4.32 3.86 3h4zC1 LYS 1207 HB2 -0.01 -0.00 0.04 -0.04 1.87 1.86 3h4zC1 LYS 1207 HB3 -0.02 0.12 0.12 -0.04 1.79 1.97 3h4zC1 LYS 1207 HG2 0.00 0.05 -0.34 -0.04 1.46 1.14 3h4zC1 LYS 1207 HG3 0.01 -0.11 -0.02 -0.04 1.46 1.30 3h4zC1 LYS 1207 HD2 0.01 0.02 -0.02 -0.04 1.69 1.66 3h4zC1 LYS 1207 HD3 0.00 0.02 -0.03 -0.04 1.68 1.62 3h4zC1 LYS 1207 HE2 0.01 0.02 -0.05 -0.04 2.99 2.93 3h4zC1 LYS 1207 HE3 0.01 -0.04 -0.01 -0.04 2.99 2.91 3h4zC1 LYS 1208 H -0.02 0.58 -0.08 -0.55 8.42 8.34 3h4zC1 LYS 1208 HA -0.01 0.02 0.25 -0.75 4.32 3.84 3h4zC1 GLU 1209 H -0.03 0.28 -0.61 -0.55 8.60 7.69 3h4zC1 GLU 1209 HA -0.02 0.05 0.52 -0.75 4.29 4.09 3h4zC1 GLU 1209 HB2 -0.04 0.11 0.26 -0.04 2.09 2.39 3h4zC1 GLU 1209 HB3 -0.03 -0.10 0.07 -0.04 1.99 1.90 3h4zC1 GLU 1209 HG2 -0.12 0.25 0.08 -0.04 2.34 2.50 3h4zC1 GLU 1209 HG3 -0.16 0.03 0.07 -0.04 2.34 2.24 3h4zC1 LEU 1210 H 0.05 0.59 0.17 -0.55 8.37 8.63 3h4zC1 LEU 1210 HA 0.04 0.00 0.37 -0.75 4.35 4.01 3h4zC1 LEU 1210 HB2 0.06 0.04 -0.02 -0.04 1.64 1.68 3h4zC1 LEU 1210 HB3 0.05 -0.10 -0.08 -0.04 1.64 1.46 3h4zC1 LEU 1210 HG 0.17 0.19 0.09 -0.04 1.64 2.05 3h4zC1 LEU 1210 HD13 0.10 -0.03 -0.15 -0.04 0.93 0.81 3h4zC1 LEU 1210 HD23 0.10 -0.02 -0.06 -0.04 0.89 0.87 3h4zC1 GLU 1211 H 0.02 0.80 -0.41 -0.55 8.60 8.46 3h4zC1 GLU 1211 HA 0.01 0.10 0.75 -0.75 4.29 4.39 3h4zC1 GLU 1211 HB2 0.01 0.16 -0.01 -0.04 2.09 2.21 3h4zC1 GLU 1211 HB3 0.01 -0.06 0.17 -0.04 1.99 2.07 3h4zC1 GLU 1211 HG2 0.01 0.36 -0.02 -0.04 2.34 2.65 3h4zC1 GLU 1211 HG3 0.02 -0.12 -0.19 -0.04 2.34 2.01 3h4zC1 ARG 1212 H 0.01 0.44 -0.37 -0.55 8.46 7.98 3h4zC1 ARG 1212 HA -0.00 0.14 0.82 -0.75 4.34 4.54 3h4zC1 ASN 1213 H 0.00 0.20 0.10 -0.55 8.53 8.29 3h4zC1 ASN 1213 HA -0.00 0.07 0.38 -0.75 4.76 4.46 3h4zC1 ASN 1213 HB2 0.00 0.02 0.05 -0.04 2.88 2.91 3h4zC1 ASN 1213 HB3 -0.00 0.01 0.13 -0.04 2.79 2.89 3h4zC1 ASN 1213 HD21 0.00 -0.00 0.04 -0.04 7.03 7.02 3h4zC1 ASN 1213 HD22 0.01 0.04 0.07 -0.04 7.74 7.82 3h4zC1 ASN 1214 H 0.00 0.05 -0.95 -0.55 8.53 7.08 3h4zC1 ASN 1214 HA -0.00 0.11 0.28 -0.75 4.76 4.40