============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 83 rings ring int. center anis. iso. TYR 3 0.840 10.708 9.393 17.329 -99.200 -91.000 TYR 17 0.840 0.644 17.595 40.996 -99.200 -91.000 TYR 28 0.840 -10.480 13.149 22.574 -99.200 -91.000 TYR 35 0.840 -14.984 13.575 45.810 -99.200 -91.000 PHE 46 1.000 -3.962 8.047 41.159 -99.200 -91.000 PHE 66 1.000 -27.596 7.358 17.915 -99.200 -91.000 PHE 70 1.000 -13.804 2.744 24.975 -99.200 -91.000 PHE 73 1.000 -12.060 -1.287 26.856 -99.200 -91.000 PHE 77 1.000 -3.374 0.013 36.154 -99.200 -91.000 TRP 78 1.040 4.234 3.116 35.019 -99.200 -91.000 TRP6 78 1.020 6.298 1.983 35.129 -99.200 -91.000 TYR 84 0.840 2.400 -11.450 52.349 -99.200 -91.000 TYR 92 0.840 -2.349 -10.298 50.264 -99.200 -91.000 HIS 94 0.900 -9.877 -16.800 52.200 -99.200 -91.000 TYR 97 0.840 -8.231 -4.289 47.651 -99.200 -91.000 TRP 109 1.040 -13.552 0.016 31.850 -99.200 -91.000 TRP6 109 1.020 -12.124 0.896 33.520 -99.200 -91.000 TRP 120 1.040 -9.945 -5.935 31.643 -99.200 -91.000 TRP6 120 1.020 -10.232 -3.589 31.823 -99.200 -91.000 PHE 133 1.000 -6.124 -15.053 37.288 -99.200 -91.000 PHE 134 1.000 1.296 -10.200 37.074 -99.200 -91.000 TYR 136 0.840 1.594 -9.512 43.403 -99.200 -91.000 TYR 145 0.840 6.064 -9.024 39.126 -99.200 -91.000 TRP 149 1.040 5.993 3.278 42.383 -99.200 -91.000 TRP6 149 1.020 3.778 3.961 41.918 -99.200 -91.000 PHE 150 1.000 2.776 -4.694 39.550 -99.200 -91.000 PHE 151 1.000 3.341 0.489 31.423 -99.200 -91.000 TYR 164 0.840 0.308 -6.838 26.129 -99.200 -91.000 PHE 189 1.000 -9.190 6.565 38.593 -99.200 -91.000 PHE 200 1.000 -0.039 1.738 51.473 -99.200 -91.000 TRP 202 1.040 1.659 4.809 47.370 -99.200 -91.000 TRP6 202 1.020 1.791 7.172 47.354 -99.200 -91.000 TYR 205 0.840 3.689 8.814 34.479 -99.200 -91.000 PHE 206 1.000 -6.926 4.706 34.674 -99.200 -91.000 PHE 209 1.000 -3.325 4.928 25.467 -99.200 -91.000 TYR 222 0.840 8.782 -1.450 31.549 -99.200 -91.000 TYR 227 0.840 15.686 8.949 30.144 -99.200 -91.000 TYR 230 0.840 13.722 10.441 39.536 -99.200 -91.000 PHE 234 1.000 13.589 -4.616 46.685 -99.200 -91.000 TRP 235 1.040 10.689 -0.018 49.006 -99.200 -91.000 TRP6 235 1.020 10.129 -2.294 49.336 -99.200 -91.000 TYR 241 0.840 23.257 12.380 47.107 -99.200 -91.000 TYR 245 0.840 18.215 4.465 50.327 -99.200 -91.000 TYR 246 0.840 17.870 -2.283 56.595 -99.200 -91.000 PHE 248 1.000 17.866 -7.594 45.693 -99.200 -91.000 TYR 256 0.840 22.452 -10.703 55.943 -99.200 -91.000 TYR 274 0.840 6.013 -16.370 57.333 -99.200 -91.000 TYR 280 0.840 -3.498 -19.088 52.172 -99.200 -91.000 TYR 283 0.840 8.605 -12.351 54.531 -99.200 -91.000 TYR 287 0.840 12.340 -3.299 56.105 -99.200 -91.000 PHE 292 1.000 25.942 -0.883 53.271 -99.200 -91.000 TYR 313 0.840 32.349 11.983 40.268 -99.200 -91.000 TYR 315 0.840 32.913 11.331 50.410 -99.200 -91.000 PHE 318 1.000 29.867 0.214 57.529 -99.200 -91.000 PHE 319 1.000 24.174 5.786 60.221 -99.200 -91.000 TRP 325 1.040 33.004 2.794 61.562 -99.200 -91.000 TRP6 325 1.020 34.424 0.915 61.790 -99.200 -91.000 TYR 328 0.840 37.418 4.715 53.531 -99.200 -91.000 TYR 330 0.840 43.722 -1.437 51.884 -99.200 -91.000 TYR 332 0.840 49.085 1.945 45.467 -99.200 -91.000 PHE 333 1.000 42.120 -3.862 43.473 -99.200 -91.000 PHE 341 1.000 40.436 -0.523 55.566 -99.200 -91.000 PHE 351 1.000 41.505 4.245 53.312 -99.200 -91.000 TYR 352 0.840 42.171 5.166 44.247 -99.200 -91.000 TYR 360 0.840 28.561 0.791 33.976 -99.200 -91.000 TYR 366 0.840 12.178 -0.120 39.985 -99.200 -91.000 PHE 372 1.000 35.462 2.402 45.632 -99.200 -91.000 HIS 388 0.900 35.676 -13.543 43.354 -99.200 -91.000 PHE 390 1.000 37.630 -12.227 47.638 -99.200 -91.000 TYR 391 0.840 39.136 -18.632 44.917 -99.200 -91.000 PHE 397 1.000 37.942 -21.929 56.775 -99.200 -91.000 TYR 400 0.840 36.527 -22.967 47.058 -99.200 -91.000 TYR 403 0.840 35.523 -12.610 52.745 -99.200 -91.000 PHE 404 1.000 30.269 -3.997 49.998 -99.200 -91.000 TRP 409 1.040 35.253 -10.992 34.935 -99.200 -91.000 TRP6 409 1.020 33.038 -11.522 35.576 -99.200 -91.000 TYR 410 0.840 31.441 -7.346 39.338 -99.200 -91.000 TYR 419 0.840 24.393 -4.040 32.919 -99.200 -91.000 TRP 427 1.040 25.965 -3.499 44.569 -99.200 -91.000 TRP6 427 1.020 26.067 -4.882 46.480 -99.200 -91.000 PHE 429 1.000 22.100 1.973 47.247 -99.200 -91.000 TRP 436 1.040 9.123 -6.115 53.234 -99.200 -91.000 TRP6 436 1.020 8.648 -7.665 51.510 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1z0hA1 ASN 853 HA -0.00 0.05 0.16 -0.75 4.76 4.21 1z0hA1 ASN 853 HB2 -0.10 0.06 0.04 -0.04 2.88 2.85 1z0hA1 ASN 853 HB3 0.04 -0.17 -0.03 -0.04 2.79 2.59 1z0hA1 ASN 853 HD21 -0.03 0.02 0.02 -0.04 7.03 7.01 1z0hA1 ASN 853 HD22 -0.02 0.02 0.08 -0.04 7.74 7.77 1z0hA1 LYS 854 H 0.06 0.29 0.11 -0.55 8.42 8.32 1z0hA1 LYS 854 HA 0.04 0.00 0.32 -0.75 4.32 3.92 1z0hA1 LYS 854 HB2 0.02 0.01 -0.17 -0.04 1.87 1.69 1z0hA1 LYS 854 HB3 0.03 0.18 0.11 -0.04 1.79 2.08 1z0hA1 LYS 854 HG2 0.02 0.02 0.03 -0.04 1.46 1.49 1z0hA1 LYS 854 HG3 0.02 -0.03 0.14 -0.04 1.46 1.55 1z0hA1 LYS 854 HD2 0.01 0.02 0.01 -0.04 1.69 1.69 1z0hA1 LYS 854 HD3 0.02 -0.06 0.04 -0.04 1.68 1.63 1z0hA1 LYS 854 HE2 0.01 0.01 -0.00 -0.04 2.99 2.97 1z0hA1 LYS 854 HE3 0.01 0.02 0.00 -0.04 2.99 2.98 1z0hA1 TYR 855 H 0.22 0.10 -0.34 -0.55 8.29 7.72 1z0hA1 TYR 855 HA -0.01 0.19 0.66 -0.75 4.56 4.64 1z0hA1 TYR 855 HB2 -0.01 0.06 0.03 -0.04 3.06 3.10 1z0hA1 TYR 855 HB3 -0.02 0.03 -0.11 -0.04 2.98 2.83 1z0hA1 TYR 855 HD2 -0.02 -0.01 -0.12 -0.04 7.15 6.96 1z0hA1 TYR 855 HE2 -0.03 0.02 -0.04 -0.04 6.85 6.75 1z0hA1 ASN 856 H 0.07 0.05 -0.06 -0.55 8.53 8.05 1z0hA1 ASN 856 HA -0.24 0.17 0.62 -0.75 4.76 4.55 1z0hA1 ASN 856 HB2 0.00 0.02 0.03 -0.04 2.88 2.90 1z0hA1 ASN 856 HB3 -0.04 0.08 0.15 -0.04 2.79 2.93 1z0hA1 ASN 856 HD21 0.15 0.05 -0.02 -0.04 7.03 7.16 1z0hA1 ASN 856 HD22 0.00 0.03 0.01 -0.04 7.74 7.74 1z0hA1 SER 857 H -0.06 0.13 -0.78 -0.55 8.46 7.20 1z0hA1 SER 857 HA -0.02 0.18 0.49 -0.75 4.49 4.38 1z0hA1 SER 857 HB2 -0.01 0.06 -0.11 -0.04 3.95 3.85 1z0hA1 SER 857 HB3 -0.00 0.02 0.03 -0.04 3.93 3.94 1z0hA1 GLU 858 H -0.16 0.22 -0.42 -0.55 8.60 7.70 1z0hA1 GLU 858 HA -0.06 0.05 0.35 -0.75 4.29 3.88 1z0hA1 GLU 858 HB2 -0.20 0.08 0.09 -0.04 2.09 2.02 1z0hA1 GLU 858 HB3 -0.21 0.02 0.06 -0.04 1.99 1.81 1z0hA1 GLU 858 HG2 -0.10 0.01 -0.28 -0.04 2.34 1.92 1z0hA1 GLU 858 HG3 -0.08 -0.03 -0.02 -0.04 2.34 2.16 1z0hA1 ILE 859 H -0.07 0.20 -0.28 -0.55 8.25 7.54 1z0hA1 ILE 859 HA -0.03 0.07 0.36 -0.75 4.18 3.82 1z0hA1 ILE 859 HB 0.01 0.02 0.09 -0.04 1.89 1.98 1z0hA1 ILE 859 HG12 -0.05 0.04 -0.05 -0.04 1.49 1.38 1z0hA1 ILE 859 HG13 0.01 0.05 -0.33 -0.04 1.21 0.90 1z0hA1 ILE 859 HG23 -0.07 -0.00 -0.07 -0.04 0.93 0.75 1z0hA1 ILE 859 HD13 -0.03 0.01 -0.06 -0.04 0.88 0.76 1z0hA1 LEU 860 H 0.03 0.41 -0.78 -0.55 8.37 7.48 1z0hA1 LEU 860 HA 0.15 0.15 0.77 -0.75 4.35 4.66 1z0hA1 LEU 860 HB2 0.03 0.16 0.06 -0.04 1.64 1.86 1z0hA1 LEU 860 HB3 0.05 -0.04 0.07 -0.04 1.64 1.68 1z0hA1 LEU 860 HG 0.02 -0.04 -0.13 -0.04 1.64 1.45 1z0hA1 LEU 860 HD13 0.01 -0.01 -0.02 -0.04 0.93 0.87 1z0hA1 LEU 860 HD23 0.04 0.02 -0.08 -0.04 0.89 0.82 1z0hA1 ASN 861 H 0.06 0.40 -0.04 -0.55 8.53 8.40 1z0hA1 ASN 861 HA 0.08 -0.02 0.40 -0.75 4.76 4.47 1z0hA1 ASN 861 HB2 0.03 0.09 0.13 -0.04 2.88 3.08 1z0hA1 ASN 861 HB3 0.04 -0.07 0.01 -0.04 2.79 2.73 1z0hA1 ASN 861 HD21 -0.02 -0.05 0.02 -0.04 7.03 6.94 1z0hA1 ASN 861 HD22 -0.02 -0.03 0.06 -0.04 7.74 7.71 1z0hA1 ASN 862 H 0.10 0.12 0.18 -0.55 8.53 8.38 1z0hA1 ASN 862 HA 0.11 0.03 0.30 -0.75 4.76 4.44 1z0hA1 ASN 862 HB2 0.22 0.20 -0.05 -0.04 2.88 3.21 1z0hA1 ASN 862 HB3 0.12 -0.13 0.05 -0.04 2.79 2.79 1z0hA1 ASN 862 HD21 0.04 0.00 -0.05 -0.04 7.03 6.99 1z0hA1 ASN 862 HD22 0.07 0.04 0.01 -0.04 7.74 7.81 1z0hA1 ILE 863 H 0.10 0.44 -0.31 -0.55 8.25 7.93 1z0hA1 ILE 863 HA -0.69 0.12 0.69 -0.75 4.18 3.55 1z0hA1 ILE 863 HB -0.11 0.13 0.01 -0.04 1.89 1.88 1z0hA1 ILE 863 HG12 -0.24 -0.24 -0.18 -0.04 1.49 0.79 1z0hA1 ILE 863 HG13 -1.11 0.10 0.08 -0.04 1.21 0.23 1z0hA1 ILE 863 HG23 0.03 -0.01 0.03 -0.04 0.93 0.94 1z0hA1 ILE 863 HD13 -0.08 0.02 -0.03 -0.04 0.88 0.75 1z0hA1 ILE 864 H -0.21 0.56 0.39 -0.55 8.25 8.44 1z0hA1 ILE 864 HA 0.05 0.21 0.90 -0.75 4.18 4.59 1z0hA1 ILE 864 HB -0.17 -0.03 0.08 -0.04 1.89 1.72 1z0hA1 ILE 864 HG12 0.16 -0.01 -0.19 -0.04 1.49 1.41 1z0hA1 ILE 864 HG13 -0.01 0.10 -0.23 -0.04 1.21 1.04 1z0hA1 ILE 864 HG23 -0.10 0.03 -0.21 -0.04 0.93 0.61 1z0hA1 ILE 864 HD13 0.19 0.00 -0.35 -0.04 0.88 0.68 1z0hA1 LEU 865 H -0.08 0.32 0.21 -0.55 8.37 8.27 1z0hA1 LEU 865 HA 0.14 -0.03 0.51 -0.75 4.35 4.22 1z0hA1 LEU 865 HB2 0.19 0.14 -0.09 -0.04 1.64 1.84 1z0hA1 LEU 865 HB3 0.19 -0.06 0.10 -0.04 1.64 1.83 1z0hA1 LEU 865 HG 0.27 -0.01 -0.24 -0.04 1.64 1.62 1z0hA1 LEU 865 HD13 0.19 -0.01 -0.02 -0.04 0.93 1.04 1z0hA1 LEU 865 HD23 0.49 0.02 -0.14 -0.04 0.89 1.22 1z0hA1 ASN 866 H 0.12 0.00 0.03 -0.55 8.53 8.13 1z0hA1 ASN 866 HA 0.11 0.32 0.87 -0.75 4.76 5.31 1z0hA1 ASN 866 HB2 0.01 0.05 -0.17 -0.04 2.88 2.73 1z0hA1 ASN 866 HB3 0.07 -0.23 -0.01 -0.04 2.79 2.58 1z0hA1 ASN 866 HD21 0.04 0.04 -0.09 -0.04 7.03 6.98 1z0hA1 ASN 866 HD22 0.04 0.02 -0.13 -0.04 7.74 7.63 1z0hA1 LEU 867 H 0.29 0.62 0.14 -0.55 8.37 8.88 1z0hA1 LEU 867 HA 0.14 0.10 0.56 -0.75 4.35 4.40 1z0hA1 LEU 867 HB2 0.36 0.04 0.15 -0.04 1.64 2.15 1z0hA1 LEU 867 HB3 0.11 -0.00 -0.08 -0.04 1.64 1.62 1z0hA1 LEU 867 HG 0.37 -0.02 -0.11 -0.04 1.64 1.84 1z0hA1 LEU 867 HD13 -0.05 0.00 -0.13 -0.04 0.93 0.71 1z0hA1 LEU 867 HD23 0.09 -0.01 -0.27 -0.04 0.89 0.66 1z0hA1 ARG 868 H 0.11 0.59 0.43 -0.55 8.46 9.04 1z0hA1 ARG 868 HA 0.25 0.13 0.95 -0.75 4.34 4.92 1z0hA1 ARG 868 HB2 0.10 0.01 0.07 -0.04 1.90 2.04 1z0hA1 ARG 868 HB3 0.14 0.09 0.00 -0.04 1.80 1.99 1z0hA1 ARG 868 HG2 0.18 0.04 -0.51 -0.04 1.67 1.34 1z0hA1 ARG 868 HG3 0.10 -0.03 -0.11 -0.04 1.67 1.59 1z0hA1 ARG 868 HD2 0.14 0.01 0.03 -0.04 3.22 3.35 1z0hA1 ARG 868 HD3 0.27 -0.03 0.13 -0.04 3.22 3.54 1z0hA1 TYR 869 H 0.29 0.13 0.20 -0.55 8.29 8.37 1z0hA1 TYR 869 HA 0.06 0.27 0.68 -0.75 4.56 4.82 1z0hA1 TYR 869 HB2 0.10 -0.01 0.12 -0.04 3.06 3.23 1z0hA1 TYR 869 HB3 0.08 0.03 0.18 -0.04 2.98 3.23 1z0hA1 TYR 869 HD2 0.06 0.06 -0.12 -0.04 7.15 7.10 1z0hA1 TYR 869 HE2 0.03 0.02 -0.14 -0.04 6.85 6.73 1z0hA1 LYS 870 H -0.67 0.59 0.13 -0.55 8.42 7.92 1z0hA1 LYS 870 HA -0.24 0.00 0.49 -0.75 4.32 3.82 1z0hA1 LYS 870 HB2 -0.06 0.14 -0.27 -0.04 1.87 1.64 1z0hA1 LYS 870 HB3 -0.12 -0.01 -0.10 -0.04 1.79 1.52 1z0hA1 LYS 870 HG2 -0.09 -0.00 -0.18 -0.04 1.46 1.15 1z0hA1 LYS 870 HG3 -0.05 -0.02 0.05 -0.04 1.46 1.40 1z0hA1 LYS 870 HD2 -0.02 0.02 -0.06 -0.04 1.69 1.60 1z0hA1 LYS 870 HD3 -0.04 -0.01 -0.10 -0.04 1.68 1.50 1z0hA1 LYS 870 HE2 -0.03 -0.01 -0.05 -0.04 2.99 2.86 1z0hA1 LYS 870 HE3 -0.01 -0.01 -0.02 -0.04 2.99 2.91 1z0hA1 ASP 871 H -0.22 0.13 0.08 -0.55 8.40 7.84 1z0hA1 ASP 871 HA -0.09 -0.01 0.36 -0.75 4.63 4.14 1z0hA1 ASP 871 HB2 -0.11 0.14 -0.04 -0.04 2.71 2.67 1z0hA1 ASP 871 HB3 -0.06 0.02 0.09 -0.04 2.70 2.71 1z0hA1 ASN 872 H -0.17 0.02 -0.05 -0.55 8.53 7.79 1z0hA1 ASN 872 HA 0.26 -0.02 0.22 -0.75 4.76 4.47 1z0hA1 ASN 872 HB2 0.08 -0.08 -0.02 -0.04 2.88 2.82 1z0hA1 ASN 872 HB3 0.01 0.13 -0.02 -0.04 2.79 2.87 1z0hA1 ASN 872 HD21 0.05 0.01 0.06 -0.04 7.03 7.10 1z0hA1 ASN 872 HD22 0.04 -0.03 0.04 -0.04 7.74 7.75 1z0hA1 ASN 873 H -0.50 0.08 -0.34 -0.55 8.53 7.22 1z0hA1 ASN 873 HA -0.04 0.08 0.55 -0.75 4.76 4.60 1z0hA1 ASN 873 HB2 -0.09 0.15 -0.26 -0.04 2.88 2.65 1z0hA1 ASN 873 HB3 -0.13 0.13 -0.08 -0.04 2.79 2.66 1z0hA1 ASN 873 HD21 -0.07 -0.01 0.12 -0.04 7.03 7.03 1z0hA1 ASN 873 HD22 -0.07 -0.00 0.04 -0.04 7.74 7.66 1z0hA1 LEU 874 H -0.07 0.25 0.16 -0.55 8.37 8.17 1z0hA1 LEU 874 HA -0.00 0.28 0.86 -0.75 4.35 4.74 1z0hA1 LEU 874 HB2 -0.12 -0.03 -0.01 -0.04 1.64 1.44 1z0hA1 LEU 874 HB3 -0.07 -0.02 -0.13 -0.04 1.64 1.38 1z0hA1 LEU 874 HG -0.00 -0.03 -0.35 -0.04 1.64 1.21 1z0hA1 LEU 874 HD13 -0.44 -0.00 -0.17 -0.04 0.93 0.28 1z0hA1 LEU 874 HD23 0.19 0.03 -0.26 -0.04 0.89 0.80 1z0hA1 ILE 875 H 0.01 0.66 0.32 -0.55 8.25 8.70 1z0hA1 ILE 875 HA -0.00 0.16 0.85 -0.75 4.18 4.44 1z0hA1 ILE 875 HB 0.00 -0.00 0.03 -0.04 1.89 1.88 1z0hA1 ILE 875 HG12 -0.02 0.10 -0.09 -0.04 1.49 1.44 1z0hA1 ILE 875 HG13 0.02 -0.06 -0.31 -0.04 1.21 0.82 1z0hA1 ILE 875 HG23 -0.04 0.01 -0.26 -0.04 0.93 0.60 1z0hA1 ILE 875 HD13 -0.02 0.00 -0.14 -0.04 0.88 0.69 1z0hA1 ASP 876 H 0.04 0.25 0.15 -0.55 8.40 8.29 1z0hA1 ASP 876 HA 0.09 0.25 0.64 -0.75 4.63 4.86 1z0hA1 ASP 876 HB2 0.10 0.09 0.02 -0.04 2.71 2.88 1z0hA1 ASP 876 HB3 0.07 0.14 0.25 -0.04 2.70 3.12 1z0hA1 LEU 877 H 0.08 0.76 0.33 -0.55 8.37 8.99 1z0hA1 LEU 877 HA 0.03 0.17 0.84 -0.75 4.35 4.64 1z0hA1 LEU 877 HB2 0.05 0.08 0.10 -0.04 1.64 1.83 1z0hA1 LEU 877 HB3 0.03 0.00 0.17 -0.04 1.64 1.80 1z0hA1 LEU 877 HG 0.05 0.06 -0.16 -0.04 1.64 1.54 1z0hA1 LEU 877 HD13 0.04 0.01 -0.04 -0.04 0.93 0.90 1z0hA1 LEU 877 HD23 0.01 0.01 -0.09 -0.04 0.89 0.78 1z0hA1 SER 878 H 0.08 -0.03 -0.27 -0.55 8.46 7.69 1z0hA1 SER 878 HA 0.05 0.20 0.34 -0.75 4.49 4.33 1z0hA1 SER 878 HB2 0.23 0.19 -0.33 -0.04 3.95 4.00 1z0hA1 SER 878 HB3 0.11 -0.20 -0.22 -0.04 3.93 3.58 1z0hA1 GLY 879 H 0.01 0.02 -0.30 -0.55 8.43 7.60 1z0hA1 GLY 879 HA2 -0.09 0.05 0.24 -0.51 4.01 3.69 1z0hA1 GLY 879 HA3 -0.22 0.27 0.74 -0.51 4.01 4.28 1z0hA1 TYR 880 H 0.09 -0.02 -0.23 -0.55 8.29 7.58 1z0hA1 TYR 880 HA 0.03 0.23 0.73 -0.75 4.56 4.79 1z0hA1 TYR 880 HB2 0.05 0.01 0.00 -0.04 3.06 3.08 1z0hA1 TYR 880 HB3 0.04 0.00 0.10 -0.04 2.98 3.08 1z0hA1 TYR 880 HD2 0.03 -0.05 -0.07 -0.04 7.15 7.01 1z0hA1 TYR 880 HE2 0.03 0.13 0.03 -0.04 6.85 6.99 1z0hA1 GLY 881 H 0.06 -0.11 -0.18 -0.55 8.43 7.66 1z0hA1 GLY 881 HA2 0.05 0.06 0.33 -0.51 4.01 3.94 1z0hA1 GLY 881 HA3 0.04 0.07 0.25 -0.51 4.01 3.87 1z0hA1 ALA 882 H 0.10 -0.09 0.01 -0.55 8.40 7.87 1z0hA1 ALA 882 HA 0.08 0.16 0.59 -0.75 4.34 4.42 1z0hA1 ALA 882 HB3 0.11 0.01 0.03 -0.04 1.41 1.51 1z0hA1 LYS 883 H 0.05 0.43 0.31 -0.55 8.42 8.65 1z0hA1 LYS 883 HA 0.02 0.09 0.66 -0.75 4.32 4.34 1z0hA1 LYS 883 HB2 0.02 0.05 0.12 -0.04 1.87 2.02 1z0hA1 LYS 883 HB3 0.03 -0.05 0.25 -0.04 1.79 1.97 1z0hA1 LYS 883 HG2 0.01 -0.00 -0.31 -0.04 1.46 1.12 1z0hA1 LYS 883 HG3 0.00 0.03 0.00 -0.04 1.46 1.45 1z0hA1 LYS 883 HD2 0.01 0.01 -0.00 -0.04 1.69 1.67 1z0hA1 LYS 883 HD3 0.02 -0.04 -0.02 -0.04 1.68 1.60 1z0hA1 LYS 883 HE2 0.00 -0.01 -0.09 -0.04 2.99 2.86 1z0hA1 LYS 883 HE3 -0.01 0.02 -0.04 -0.04 2.99 2.93 1z0hA1 VAL 884 H 0.00 0.22 0.24 -0.55 8.24 8.15 1z0hA1 VAL 884 HA 0.02 0.25 1.13 -0.75 4.13 4.77 1z0hA1 VAL 884 HB -0.02 0.08 0.21 -0.04 2.12 2.35 1z0hA1 VAL 884 HG13 -0.07 -0.03 -0.27 -0.04 0.97 0.56 1z0hA1 VAL 884 HG23 0.03 0.00 -0.25 -0.04 0.95 0.70 1z0hA1 GLU 885 H 0.01 0.83 0.34 -0.55 8.60 9.24 1z0hA1 GLU 885 HA -0.12 0.18 1.04 -0.75 4.29 4.64 1z0hA1 GLU 885 HB2 0.06 -0.07 0.22 -0.04 2.09 2.26 1z0hA1 GLU 885 HB3 -0.27 0.01 0.03 -0.04 1.99 1.72 1z0hA1 GLU 885 HG2 -0.06 0.05 -0.10 -0.04 2.34 2.18 1z0hA1 GLU 885 HG3 -0.01 -0.03 -0.26 -0.04 2.34 2.00 1z0hA1 VAL 886 H -0.14 0.24 0.18 -0.55 8.24 7.97 1z0hA1 VAL 886 HA -0.02 0.16 1.06 -0.75 4.13 4.57 1z0hA1 VAL 886 HB -0.08 0.00 0.19 -0.04 2.12 2.19 1z0hA1 VAL 886 HG13 -0.05 0.04 -0.08 -0.04 0.97 0.84 1z0hA1 VAL 886 HG23 -0.14 -0.02 -0.07 -0.04 0.95 0.68 1z0hA1 TYR 887 H 0.26 0.55 0.37 -0.55 8.29 8.91 1z0hA1 TYR 887 HA -0.02 0.11 0.79 -0.75 4.56 4.69 1z0hA1 TYR 887 HB2 -0.02 0.01 0.21 -0.04 3.06 3.22 1z0hA1 TYR 887 HB3 -0.01 -0.08 0.24 -0.04 2.98 3.09 1z0hA1 TYR 887 HD2 -0.02 0.09 -0.01 -0.04 7.15 7.17 1z0hA1 TYR 887 HE2 -0.01 -0.02 -0.05 -0.04 6.85 6.73 1z0hA1 ASP 888 H 0.09 0.09 0.23 -0.55 8.40 8.27 1z0hA1 ASP 888 HA 0.02 0.14 0.37 -0.75 4.63 4.41 1z0hA1 ASP 888 HB2 0.05 -0.05 0.13 -0.04 2.71 2.79 1z0hA1 ASP 888 HB3 0.02 0.01 0.10 -0.04 2.70 2.79 1z0hA1 GLY 889 H 0.08 0.54 -0.26 -0.55 8.43 8.24 1z0hA1 GLY 889 HA2 0.01 0.05 0.43 -0.51 4.01 3.99 1z0hA1 GLY 889 HA3 0.02 -0.13 -0.14 -0.51 4.01 3.25 1z0hA1 VAL 890 H 0.04 0.51 -0.12 -0.55 8.24 8.13 1z0hA1 VAL 890 HA -0.00 0.23 0.82 -0.75 4.13 4.42 1z0hA1 VAL 890 HB 0.00 0.06 0.09 -0.04 2.12 2.23 1z0hA1 VAL 890 HG13 -0.00 0.00 -0.26 -0.04 0.97 0.67 1z0hA1 VAL 890 HG23 0.02 -0.03 -0.09 -0.04 0.95 0.81 1z0hA1 GLU 891 H -0.07 0.32 0.29 -0.55 8.60 8.60 1z0hA1 GLU 891 HA 0.03 0.12 0.64 -0.75 4.29 4.32 1z0hA1 GLU 891 HB2 -0.07 0.05 0.08 -0.04 2.09 2.10 1z0hA1 GLU 891 HB3 -0.18 -0.09 0.14 -0.04 1.99 1.82 1z0hA1 GLU 891 HG2 0.13 0.01 -0.24 -0.04 2.34 2.20 1z0hA1 GLU 891 HG3 0.05 0.02 0.02 -0.04 2.34 2.39 1z0hA1 LEU 892 H 0.09 0.23 0.19 -0.55 8.37 8.33 1z0hA1 LEU 892 HA 0.21 0.29 0.96 -0.75 4.35 5.05 1z0hA1 LEU 892 HB2 0.18 0.00 -0.03 -0.04 1.64 1.75 1z0hA1 LEU 892 HB3 0.28 -0.02 -0.16 -0.04 1.64 1.70 1z0hA1 LEU 892 HG 0.09 0.05 -0.48 -0.04 1.64 1.26 1z0hA1 LEU 892 HD13 0.09 -0.00 -0.27 -0.04 0.93 0.71 1z0hA1 LEU 892 HD23 0.18 0.01 -0.19 -0.04 0.89 0.84 1z0hA1 ASN 893 H 0.04 0.46 0.20 -0.55 8.53 8.68 1z0hA1 ASN 893 HA -0.13 0.21 0.85 -0.75 4.76 4.94 1z0hA1 ASN 893 HB2 -0.08 -0.08 0.16 -0.04 2.88 2.84 1z0hA1 ASN 893 HB3 0.05 0.10 -0.08 -0.04 2.79 2.81 1z0hA1 ASN 893 HD21 -0.00 0.03 -0.08 -0.04 7.03 6.94 1z0hA1 ASN 893 HD22 0.13 0.03 -0.10 -0.04 7.74 7.76 1z0hA1 ASP 894 H -0.26 0.19 0.16 -0.55 8.40 7.95 1z0hA1 ASP 894 HA -0.88 0.07 0.41 -0.75 4.63 3.48 1z0hA1 ASP 894 HB2 -0.06 0.06 0.07 -0.04 2.71 2.75 1z0hA1 ASP 894 HB3 -0.10 0.00 0.14 -0.04 2.70 2.71 1z0hA1 LYS 895 H -0.18 0.05 -0.24 -0.55 8.42 7.49 1z0hA1 LYS 895 HA -0.10 0.16 0.44 -0.75 4.32 4.07 1z0hA1 LYS 895 HB2 -0.18 -0.05 0.03 -0.04 1.87 1.63 1z0hA1 LYS 895 HB3 -0.21 0.11 0.17 -0.04 1.79 1.82 1z0hA1 LYS 895 HG2 -0.14 0.04 0.01 -0.04 1.46 1.33 1z0hA1 LYS 895 HG3 -0.15 -0.11 0.04 -0.04 1.46 1.20 1z0hA1 LYS 895 HD2 -0.27 0.08 0.04 -0.04 1.69 1.50 1z0hA1 LYS 895 HD3 -0.26 -0.01 0.02 -0.04 1.68 1.39 1z0hA1 LYS 895 HE2 -0.21 -0.00 -0.00 -0.04 2.99 2.73 1z0hA1 LYS 895 HE3 -0.22 0.04 0.03 -0.04 2.99 2.80 1z0hA1 ASN 896 H -0.16 0.26 -0.76 -0.55 8.53 7.32 1z0hA1 ASN 896 HA 0.09 -0.01 0.30 -0.75 4.76 4.39 1z0hA1 ASN 896 HB2 -0.18 0.26 -0.29 -0.04 2.88 2.62 1z0hA1 ASN 896 HB3 -0.23 -0.13 0.29 -0.04 2.79 2.68 1z0hA1 ASN 896 HD21 0.25 -0.02 0.08 -0.04 7.03 7.31 1z0hA1 ASN 896 HD22 0.18 0.08 -0.07 -0.04 7.74 7.89 1z0hA1 GLN 897 H -0.04 -0.05 -0.41 -0.55 8.47 7.43 1z0hA1 GLN 897 HA 0.12 0.30 0.80 -0.75 4.36 4.83 1z0hA1 GLN 897 HB2 0.20 -0.11 -0.03 -0.04 2.15 2.16 1z0hA1 GLN 897 HB3 0.46 0.04 -0.07 -0.04 2.02 2.42 1z0hA1 GLN 897 HG2 -0.53 0.10 -0.18 -0.04 2.40 1.75 1z0hA1 GLN 897 HG3 -0.23 -0.06 -0.25 -0.04 2.39 1.81 1z0hA1 GLN 897 HE21 -0.30 -0.02 -0.06 -0.04 6.97 6.54 1z0hA1 GLN 897 HE22 -0.91 0.10 -0.08 -0.04 7.69 6.75 1z0hA1 PHE 898 H 0.10 0.68 0.41 -0.55 8.34 8.97 1z0hA1 PHE 898 HA 0.17 0.37 1.03 -0.75 4.62 5.44 1z0hA1 PHE 898 HB2 0.04 0.04 -0.02 -0.04 3.15 3.17 1z0hA1 PHE 898 HB3 0.12 -0.05 -0.13 -0.04 3.06 2.95 1z0hA1 PHE 898 HD2 0.09 0.03 -0.28 -0.04 7.28 7.09 1z0hA1 PHE 898 HE2 0.16 -0.05 -0.15 -0.04 7.38 7.29 1z0hA1 PHE 898 HZ 0.10 -0.02 -0.13 -0.04 7.32 7.23 1z0hA1 LYS 899 H -0.07 0.48 0.28 -0.55 8.42 8.57 1z0hA1 LYS 899 HA -0.48 0.37 1.22 -0.75 4.32 4.68 1z0hA1 LYS 899 HB2 -3.02 -0.04 -0.09 -0.04 1.87 -1.31 1z0hA1 LYS 899 HB3 -0.82 -0.08 0.15 -0.04 1.79 1.00 1z0hA1 LYS 899 HG2 -0.51 0.01 -0.35 -0.04 1.46 0.57 1z0hA1 LYS 899 HG3 -1.18 0.05 -0.11 -0.04 1.46 0.18 1z0hA1 LYS 899 HD2 -1.05 -0.03 -0.09 -0.04 1.69 0.49 1z0hA1 LYS 899 HD3 -0.51 -0.04 -0.06 -0.04 1.68 1.03 1z0hA1 LYS 899 HE2 -0.47 0.02 -0.10 -0.04 2.99 2.40 1z0hA1 LYS 899 HE3 -1.26 0.01 -0.11 -0.04 2.99 1.58 1z0hA1 LEU 900 H -0.07 0.67 0.37 -0.55 8.37 8.80 1z0hA1 LEU 900 HA 0.03 0.11 0.80 -0.75 4.35 4.54 1z0hA1 LEU 900 HB2 0.11 -0.07 0.12 -0.04 1.64 1.76 1z0hA1 LEU 900 HB3 0.10 0.07 0.02 -0.04 1.64 1.79 1z0hA1 LEU 900 HG 0.30 -0.01 -0.17 -0.04 1.64 1.73 1z0hA1 LEU 900 HD13 0.27 -0.02 -0.15 -0.04 0.93 0.99 1z0hA1 LEU 900 HD23 0.19 0.03 -0.29 -0.04 0.89 0.77 1z0hA1 THR 901 H -0.00 0.17 0.20 -0.55 8.28 8.10 1z0hA1 THR 901 HA 0.04 0.32 1.06 -0.75 4.39 5.05 1z0hA1 THR 901 HB -0.01 -0.03 0.21 -0.04 4.32 4.45 1z0hA1 THR 901 HG23 -0.10 0.03 -0.12 -0.04 1.22 0.99 1z0hA1 SER 902 H 0.01 0.23 0.17 -0.55 8.46 8.32 1z0hA1 SER 902 HA -0.02 0.14 0.46 -0.75 4.49 4.32 1z0hA1 SER 902 HB2 -0.02 -0.05 0.11 -0.04 3.95 3.94 1z0hA1 SER 902 HB3 -0.02 0.09 0.06 -0.04 3.93 4.03 1z0hA1 SER 903 H -0.01 -0.01 -0.30 -0.55 8.46 7.61 1z0hA1 SER 903 HA -0.01 0.04 0.48 -0.75 4.49 4.25 1z0hA1 SER 903 HB2 -0.01 0.04 0.05 -0.04 3.95 3.99 1z0hA1 SER 903 HB3 -0.01 -0.12 -0.00 -0.04 3.93 3.76 1z0hA1 ALA 904 H -0.02 0.12 0.20 -0.55 8.40 8.15 1z0hA1 ALA 904 HA -0.04 0.20 0.38 -0.75 4.34 4.13 1z0hA1 ALA 904 HB3 -0.03 0.00 0.10 -0.04 1.41 1.45 1z0hA1 ASN 905 H -0.01 0.02 -0.30 -0.55 8.53 7.70 1z0hA1 ASN 905 HA -0.07 0.21 0.62 -0.75 4.76 4.76 1z0hA1 ASN 905 HB2 0.08 -0.07 0.16 -0.04 2.88 3.01 1z0hA1 ASN 905 HB3 0.02 0.03 0.03 -0.04 2.79 2.82 1z0hA1 ASN 905 HD21 0.02 0.10 -0.17 -0.04 7.03 6.94 1z0hA1 ASN 905 HD22 0.04 -0.01 -0.03 -0.04 7.74 7.69 1z0hA1 SER 906 H -0.02 0.63 -0.62 -0.55 8.46 7.91 1z0hA1 SER 906 HA 0.03 -0.03 0.59 -0.75 4.49 4.33 1z0hA1 SER 906 HB2 -0.00 -0.11 0.04 -0.04 3.95 3.83 1z0hA1 SER 906 HB3 0.00 0.34 0.21 -0.04 3.93 4.44 1z0hA1 LYS 907 H 0.06 0.25 0.00 -0.55 8.42 8.18 1z0hA1 LYS 907 HA 0.05 0.31 0.70 -0.75 4.32 4.63 1z0hA1 LYS 907 HB2 -0.03 0.03 0.08 -0.04 1.87 1.91 1z0hA1 LYS 907 HB3 -0.06 0.11 -0.14 -0.04 1.79 1.66 1z0hA1 LYS 907 HG2 -0.29 -0.11 -0.24 -0.04 1.46 0.78 1z0hA1 LYS 907 HG3 -0.41 -0.07 -0.24 -0.04 1.46 0.71 1z0hA1 LYS 907 HD2 -0.26 -0.02 -0.13 -0.04 1.69 1.25 1z0hA1 LYS 907 HD3 -0.22 0.10 -0.08 -0.04 1.68 1.44 1z0hA1 LYS 907 HE2 -0.63 -0.00 -0.03 -0.04 2.99 2.29 1z0hA1 LYS 907 HE3 -1.43 -0.06 -0.08 -0.04 2.99 1.38 1z0hA1 ILE 908 H 0.12 0.62 0.40 -0.55 8.25 8.85 1z0hA1 ILE 908 HA 0.10 0.27 1.10 -0.75 4.18 4.89 1z0hA1 ILE 908 HB -0.23 -0.07 0.12 -0.04 1.89 1.67 1z0hA1 ILE 908 HG12 -0.23 0.02 -0.04 -0.04 1.49 1.20 1z0hA1 ILE 908 HG13 -0.14 -0.05 -0.42 -0.04 1.21 0.56 1z0hA1 ILE 908 HG23 -0.28 -0.00 -0.21 -0.04 0.93 0.39 1z0hA1 ILE 908 HD13 -0.96 -0.01 -0.14 -0.04 0.88 -0.27 1z0hA1 ARG 909 H 0.15 0.67 0.36 -0.55 8.46 9.09 1z0hA1 ARG 909 HA 0.13 0.28 1.08 -0.75 4.34 5.07 1z0hA1 ARG 909 HB2 0.16 -0.00 -0.03 -0.04 1.90 1.98 1z0hA1 ARG 909 HB3 0.18 -0.05 0.15 -0.04 1.80 2.05 1z0hA1 ARG 909 HG2 0.07 0.05 -0.20 -0.04 1.67 1.55 1z0hA1 ARG 909 HG3 0.05 -0.00 -0.06 -0.04 1.67 1.62 1z0hA1 ARG 909 HD2 0.13 -0.01 -0.06 -0.04 3.22 3.23 1z0hA1 ARG 909 HD3 0.06 -0.02 -0.17 -0.04 3.22 3.05 1z0hA1 VAL 910 H 0.12 0.53 0.29 -0.55 8.24 8.63 1z0hA1 VAL 910 HA 0.08 0.35 1.11 -0.75 4.13 4.92 1z0hA1 VAL 910 HB 0.21 -0.04 0.17 -0.04 2.12 2.41 1z0hA1 VAL 910 HG13 0.16 -0.01 -0.20 -0.04 0.97 0.88 1z0hA1 VAL 910 HG23 0.17 -0.00 -0.19 -0.04 0.95 0.88 1z0hA1 THR 911 H 0.06 0.68 0.33 -0.55 8.28 8.80 1z0hA1 THR 911 HA 0.04 0.12 0.95 -0.75 4.39 4.73 1z0hA1 THR 911 HB 0.02 0.07 0.06 -0.04 4.32 4.43 1z0hA1 THR 911 HG23 0.03 -0.00 -0.13 -0.04 1.22 1.08 1z0hA1 GLN 912 H 0.03 0.24 0.06 -0.55 8.47 8.25 1z0hA1 GLN 912 HA 0.06 0.11 0.83 -0.75 4.36 4.61 1z0hA1 GLN 912 HB2 0.02 0.18 -0.04 -0.04 2.15 2.27 1z0hA1 GLN 912 HB3 0.03 -0.09 0.10 -0.04 2.02 2.02 1z0hA1 GLN 912 HG2 0.11 -0.05 -0.12 -0.04 2.40 2.30 1z0hA1 GLN 912 HG3 0.09 -0.07 -0.33 -0.04 2.39 2.04 1z0hA1 GLN 912 HE21 0.10 0.06 -0.06 -0.04 6.97 7.03 1z0hA1 GLN 912 HE22 0.04 0.46 -0.17 -0.04 7.69 7.97 1z0hA1 ASN 913 H 0.03 0.09 0.11 -0.55 8.53 8.22 1z0hA1 ASN 913 HA 0.02 0.00 0.39 -0.75 4.76 4.42 1z0hA1 ASN 913 HB2 0.00 -0.04 0.08 -0.04 2.88 2.88 1z0hA1 ASN 913 HB3 0.02 0.08 0.01 -0.04 2.79 2.85 1z0hA1 ASN 913 HD21 0.08 0.06 0.04 -0.04 7.03 7.17 1z0hA1 ASN 913 HD22 0.01 -0.03 0.03 -0.04 7.74 7.71 1z0hA1 GLN 914 H 0.01 0.06 0.20 -0.55 8.47 8.20 1z0hA1 GLN 914 HA -0.00 0.14 0.57 -0.75 4.36 4.30 1z0hA1 GLN 914 HB2 0.00 0.05 0.10 -0.04 2.15 2.26 1z0hA1 GLN 914 HB3 0.01 -0.05 0.10 -0.04 2.02 2.04 1z0hA1 GLN 914 HG2 -0.00 -0.01 -0.07 -0.04 2.40 2.28 1z0hA1 GLN 914 HG3 0.00 -0.04 -0.40 -0.04 2.39 1.90 1z0hA1 GLN 914 HE21 -0.01 -0.02 0.03 -0.04 6.97 6.92 1z0hA1 GLN 914 HE22 -0.01 0.02 -0.05 -0.04 7.69 7.60 1z0hA1 ASN 915 H -0.00 0.21 0.14 -0.55 8.53 8.33 1z0hA1 ASN 915 HA 0.04 0.07 0.80 -0.75 4.76 4.91 1z0hA1 ASN 915 HB2 0.05 0.24 -0.06 -0.04 2.88 3.07 1z0hA1 ASN 915 HB3 0.01 -0.02 -0.03 -0.04 2.79 2.70 1z0hA1 ASN 915 HD21 -0.02 0.05 0.10 -0.04 7.03 7.11 1z0hA1 ASN 915 HD22 -0.01 -0.70 0.22 -0.04 7.74 7.21 1z0hA1 ILE 916 H 0.03 0.09 0.07 -0.55 8.25 7.89 1z0hA1 ILE 916 HA -0.02 0.19 0.65 -0.75 4.18 4.24 1z0hA1 ILE 916 HB -0.01 0.02 0.02 -0.04 1.89 1.89 1z0hA1 ILE 916 HG12 -0.03 -0.01 -0.03 -0.04 1.49 1.38 1z0hA1 ILE 916 HG13 -0.07 0.01 -0.29 -0.04 1.21 0.82 1z0hA1 ILE 916 HG23 0.00 -0.07 0.13 -0.04 0.93 0.95 1z0hA1 ILE 916 HD13 -0.04 0.01 -0.00 -0.04 0.88 0.82 1z0hA1 ILE 917 H -0.09 -0.00 0.11 -0.55 8.25 7.72 1z0hA1 ILE 917 HA -0.23 0.18 0.63 -0.75 4.18 4.01 1z0hA1 ILE 917 HB -0.97 -0.06 0.09 -0.04 1.89 0.91 1z0hA1 ILE 917 HG12 -0.20 0.05 -0.00 -0.04 1.49 1.30 1z0hA1 ILE 917 HG13 -0.15 -0.09 0.04 -0.04 1.21 0.97 1z0hA1 ILE 917 HG23 -0.79 0.01 -0.10 -0.04 0.93 0.01 1z0hA1 ILE 917 HD13 -0.14 0.01 0.01 -0.04 0.88 0.72 1z0hA1 PHE 918 H 0.06 -0.05 -0.05 -0.55 8.34 7.75 1z0hA1 PHE 918 HA -0.01 0.26 0.86 -0.75 4.62 4.98 1z0hA1 PHE 918 HB2 -0.01 0.06 -0.07 -0.04 3.15 3.09 1z0hA1 PHE 918 HB3 -0.01 -0.00 0.13 -0.04 3.06 3.13 1z0hA1 PHE 918 HD2 -0.00 -0.00 -0.02 -0.04 7.28 7.21 1z0hA1 PHE 918 HE2 0.00 0.01 -0.02 -0.04 7.38 7.33 1z0hA1 PHE 918 HZ 0.00 0.02 -0.02 -0.04 7.32 7.28 1z0hA1 ASN 919 H 0.16 0.15 0.11 -0.55 8.53 8.40 1z0hA1 ASN 919 HA 0.03 0.19 0.77 -0.75 4.76 4.99 1z0hA1 ASN 919 HB2 0.03 -0.03 -0.02 -0.04 2.88 2.82 1z0hA1 ASN 919 HB3 0.00 0.03 -0.02 -0.04 2.79 2.76 1z0hA1 ASN 919 HD21 0.00 0.03 -0.07 -0.04 7.03 6.96 1z0hA1 ASN 919 HD22 -0.00 0.00 -0.04 -0.04 7.74 7.66 1z0hA1 SER 920 H -0.02 0.17 0.11 -0.55 8.46 8.17 1z0hA1 SER 920 HA -0.05 0.14 0.71 -0.75 4.49 4.55 1z0hA1 SER 920 HB2 -0.08 -0.06 0.14 -0.04 3.95 3.91 1z0hA1 SER 920 HB3 -0.14 0.06 -0.05 -0.04 3.93 3.76 1z0hA1 VAL 921 H -0.08 0.25 0.17 -0.55 8.24 8.04 1z0hA1 VAL 921 HA -0.14 0.19 0.98 -0.75 4.13 4.41 1z0hA1 VAL 921 HB -0.01 -0.01 -0.08 -0.04 2.12 1.98 1z0hA1 VAL 921 HG13 0.04 0.13 0.02 -0.04 0.97 1.12 1z0hA1 VAL 921 HG23 -0.01 -0.02 -0.48 -0.04 0.95 0.39 1z0hA1 PHE 922 H 0.03 0.37 0.18 -0.55 8.34 8.36 1z0hA1 PHE 922 HA -0.02 0.15 0.83 -0.75 4.62 4.83 1z0hA1 PHE 922 HB2 -0.36 0.03 -0.04 -0.04 3.15 2.74 1z0hA1 PHE 922 HB3 -0.09 0.03 -0.36 -0.04 3.06 2.59 1z0hA1 PHE 922 HD2 -0.53 0.00 -0.03 -0.04 7.28 6.69 1z0hA1 PHE 922 HE2 0.03 0.00 -0.05 -0.04 7.38 7.33 1z0hA1 PHE 922 HZ 0.06 -0.02 -0.12 -0.04 7.32 7.20 1z0hA1 LEU 923 H 0.25 0.15 0.06 -0.55 8.37 8.29 1z0hA1 LEU 923 HA 0.14 0.16 0.72 -0.75 4.35 4.61 1z0hA1 LEU 923 HB2 0.11 0.01 0.19 -0.04 1.64 1.91 1z0hA1 LEU 923 HB3 0.09 -0.02 0.04 -0.04 1.64 1.71 1z0hA1 LEU 923 HG 0.07 -0.00 0.01 -0.04 1.64 1.68 1z0hA1 LEU 923 HD13 0.08 0.05 -0.25 -0.04 0.93 0.77 1z0hA1 LEU 923 HD23 0.05 0.00 0.01 -0.04 0.89 0.91 1z0hA1 ASP 924 H 0.11 0.17 0.15 -0.55 8.40 8.29 1z0hA1 ASP 924 HA 0.11 0.35 0.84 -0.75 4.63 5.17 1z0hA1 ASP 924 HB2 0.03 -0.00 0.10 -0.04 2.71 2.79 1z0hA1 ASP 924 HB3 -0.01 -0.00 -0.04 -0.04 2.70 2.61 1z0hA1 PHE 925 H -0.04 0.46 0.19 -0.55 8.34 8.41 1z0hA1 PHE 925 HA -0.32 0.08 0.59 -0.75 4.62 4.21 1z0hA1 PHE 925 HB2 -0.97 0.14 0.22 -0.04 3.15 2.51 1z0hA1 PHE 925 HB3 -1.21 -0.05 -0.27 -0.04 3.06 1.50 1z0hA1 PHE 925 HD2 -0.12 -0.00 -0.26 -0.04 7.28 6.86 1z0hA1 PHE 925 HE2 0.01 0.02 -0.17 -0.04 7.38 7.20 1z0hA1 PHE 925 HZ 0.50 0.00 -0.16 -0.04 7.32 7.62 1z0hA1 SER 926 H -0.08 0.57 0.50 -0.55 8.46 8.90 1z0hA1 SER 926 HA -0.55 0.28 1.15 -0.75 4.49 4.62 1z0hA1 SER 926 HB2 -0.14 -0.06 0.09 -0.04 3.95 3.80 1z0hA1 SER 926 HB3 -0.33 0.05 0.06 -0.04 3.93 3.67 1z0hA1 VAL 927 H -0.48 0.66 0.43 -0.55 8.24 8.30 1z0hA1 VAL 927 HA -0.17 0.28 1.19 -0.75 4.13 4.67 1z0hA1 VAL 927 HB -0.59 -0.07 0.15 -0.04 2.12 1.57 1z0hA1 VAL 927 HG13 -0.11 0.01 -0.12 -0.04 0.97 0.70 1z0hA1 VAL 927 HG23 -0.49 -0.01 -0.19 -0.04 0.95 0.22 1z0hA1 SER 928 H -0.08 0.81 0.47 -0.55 8.46 9.12 1z0hA1 SER 928 HA -0.26 0.26 1.16 -0.75 4.49 4.90 1z0hA1 SER 928 HB2 -0.02 -0.11 -0.06 -0.04 3.95 3.72 1z0hA1 SER 928 HB3 0.27 0.01 0.11 -0.04 3.93 4.28 1z0hA1 PHE 929 H -0.29 0.56 0.41 -0.55 8.34 8.46 1z0hA1 PHE 929 HA 0.46 0.27 0.41 -0.75 4.62 5.01 1z0hA1 PHE 929 HB2 0.49 0.02 0.10 -0.04 3.15 3.72 1z0hA1 PHE 929 HB3 0.34 0.13 0.10 -0.04 3.06 3.58 1z0hA1 PHE 929 HD2 0.14 0.10 -0.51 -0.04 7.28 6.98 1z0hA1 PHE 929 HE2 0.09 -0.02 -0.20 -0.04 7.38 7.21 1z0hA1 PHE 929 HZ 0.16 -0.02 -0.15 -0.04 7.32 7.26 1z0hA1 TRP 930 H 0.84 0.59 0.37 -0.55 7.97 9.22 1z0hA1 TRP 930 HA 0.35 0.17 1.05 -0.75 4.62 5.44 1z0hA1 TRP 930 HB2 0.22 -0.04 0.07 -0.04 3.23 3.43 1z0hA1 TRP 930 HB3 0.50 0.03 -0.01 -0.04 3.23 3.70 1z0hA1 TRP 930 HD1 0.46 0.05 -0.11 -0.04 7.22 7.58 1z0hA1 TRP 930 HE1 -0.14 -0.01 -0.11 -0.04 10.20 9.91 1z0hA1 TRP 930 HE3 0.43 -0.01 -0.35 -0.04 7.59 7.62 1z0hA1 TRP 930 HZ2 -0.35 0.08 -0.13 -0.04 7.44 7.00 1z0hA1 TRP 930 HZ3 0.36 0.07 -0.16 -0.04 7.13 7.37 1z0hA1 TRP 930 HH2 -0.09 0.03 -0.08 -0.04 7.19 7.01 1z0hA1 ILE 931 H 0.34 0.56 0.39 -0.55 8.25 8.98 1z0hA1 ILE 931 HA 0.36 0.27 0.87 -0.75 4.18 4.92 1z0hA1 ILE 931 HB 0.52 -0.03 -0.25 -0.04 1.89 2.09 1z0hA1 ILE 931 HG12 0.05 -0.06 -0.15 -0.04 1.49 1.28 1z0hA1 ILE 931 HG13 0.17 0.21 0.14 -0.04 1.21 1.69 1z0hA1 ILE 931 HG23 -0.48 0.00 -0.16 -0.04 0.93 0.25 1z0hA1 ILE 931 HD13 0.25 -0.02 -0.12 -0.04 0.88 0.95 1z0hA1 ARG 932 H -0.17 0.51 0.19 -0.55 8.46 8.44 1z0hA1 ARG 932 HA -0.22 0.26 0.55 -0.75 4.34 4.17 1z0hA1 ARG 932 HB2 -1.82 0.01 -0.28 -0.04 1.90 -0.22 1z0hA1 ARG 932 HB3 -0.75 -0.10 0.01 -0.04 1.80 0.92 1z0hA1 ARG 932 HG2 -0.24 -0.08 -0.38 -0.04 1.67 0.93 1z0hA1 ARG 932 HG3 -0.19 0.02 -0.66 -0.04 1.67 0.80 1z0hA1 ARG 932 HD2 -0.15 0.37 -0.15 -0.04 3.22 3.26 1z0hA1 ARG 932 HD3 -1.12 -0.03 -0.13 -0.04 3.22 1.89 1z0hA1 ILE 933 H 0.07 0.25 0.02 -0.55 8.25 8.04 1z0hA1 ILE 933 HA 0.05 0.21 0.84 -0.75 4.18 4.53 1z0hA1 ILE 933 HB 0.30 -0.06 0.08 -0.04 1.89 2.16 1z0hA1 ILE 933 HG12 0.16 0.04 -0.12 -0.04 1.49 1.53 1z0hA1 ILE 933 HG13 0.10 -0.10 -0.20 -0.04 1.21 0.97 1z0hA1 ILE 933 HG23 0.25 0.07 -0.06 -0.04 0.93 1.14 1z0hA1 ILE 933 HD13 0.42 0.01 -0.12 -0.04 0.88 1.14 1z0hA1 PRO 934 HA -0.08 0.02 0.56 -0.51 4.44 4.43 1z0hA1 PRO 934 HB2 -0.33 0.15 0.09 -0.04 2.28 2.14 1z0hA1 PRO 934 HB3 -0.50 -0.08 0.13 -0.04 2.02 1.53 1z0hA1 PRO 934 HG2 -0.32 -0.03 0.09 -0.04 2.03 1.73 1z0hA1 PRO 934 HG3 -1.26 -0.02 0.15 -0.04 2.03 0.87 1z0hA1 PRO 934 HD2 -0.13 0.09 0.36 -0.04 3.68 3.96 1z0hA1 PRO 934 HD3 -0.32 0.15 0.23 -0.04 3.65 3.67 1z0hA1 LYS 935 H -0.12 0.58 0.34 -0.55 8.42 8.66 1z0hA1 LYS 935 HA -0.25 -0.03 0.48 -0.75 4.32 3.77 1z0hA1 LYS 935 HB2 -0.33 -0.02 0.14 -0.04 1.87 1.62 1z0hA1 LYS 935 HB3 -0.55 0.08 0.26 -0.04 1.79 1.53 1z0hA1 LYS 935 HG2 -1.39 0.35 -0.06 -0.04 1.46 0.32 1z0hA1 LYS 935 HG3 -1.56 -0.11 0.08 -0.04 1.46 -0.17 1z0hA1 LYS 935 HD2 -3.56 -0.02 -0.00 -0.04 1.69 -1.93 1z0hA1 LYS 935 HD3 -1.87 -0.14 0.06 -0.04 1.68 -0.31 1z0hA1 LYS 935 HE2 -1.50 -0.07 -0.03 -0.04 2.99 1.35 1z0hA1 LYS 935 HE3 -1.98 -0.06 -0.01 -0.04 2.99 0.91 1z0hA1 TYR 936 H -1.05 0.05 0.12 -0.55 8.29 6.86 1z0hA1 TYR 936 HA -0.36 0.09 0.41 -0.75 4.56 3.95 1z0hA1 TYR 936 HB2 -0.74 -0.01 -0.06 -0.04 3.06 2.21 1z0hA1 TYR 936 HB3 -2.43 0.04 0.05 -0.04 2.98 0.61 1z0hA1 TYR 936 HD2 -0.47 0.00 -0.34 -0.04 7.15 6.30 1z0hA1 TYR 936 HE2 -0.18 -0.01 -0.03 -0.04 6.85 6.59 1z0hA1 LYS 937 H -0.07 0.13 0.07 -0.55 8.42 8.00 1z0hA1 LYS 937 HA -0.13 0.20 0.61 -0.75 4.32 4.24 1z0hA1 LYS 937 HB2 -0.02 -0.08 0.08 -0.04 1.87 1.81 1z0hA1 LYS 937 HB3 -0.03 -0.08 -0.01 -0.04 1.79 1.63 1z0hA1 LYS 937 HG2 -0.06 0.08 -0.03 -0.04 1.46 1.41 1z0hA1 LYS 937 HG3 -0.03 -0.02 -0.02 -0.04 1.46 1.35 1z0hA1 LYS 937 HD2 -0.05 -0.07 -0.02 -0.04 1.69 1.52 1z0hA1 LYS 937 HD3 -0.12 0.11 -0.11 -0.04 1.68 1.52 1z0hA1 LYS 937 HE2 -0.05 0.11 -0.09 -0.04 2.99 2.92 1z0hA1 LYS 937 HE3 -0.01 -0.07 -0.06 -0.04 2.99 2.81 1z0hA1 ASN 938 H -0.03 0.26 0.09 -0.55 8.53 8.31 1z0hA1 ASN 938 HA 0.07 0.10 0.32 -0.75 4.76 4.49 1z0hA1 ASN 938 HB2 0.09 -0.00 0.07 -0.04 2.88 2.99 1z0hA1 ASN 938 HB3 0.21 -0.02 0.02 -0.04 2.79 2.96 1z0hA1 ASN 938 HD21 0.29 0.02 0.01 -0.04 7.03 7.31 1z0hA1 ASN 938 HD22 0.20 -0.02 -0.00 -0.04 7.74 7.87 1z0hA1 ASP 939 H 0.02 0.09 -0.27 -0.55 8.40 7.70 1z0hA1 ASP 939 HA 0.04 0.17 0.66 -0.75 4.63 4.74 1z0hA1 ASP 939 HB2 0.02 0.05 0.13 -0.04 2.71 2.87 1z0hA1 ASP 939 HB3 0.03 0.02 0.04 -0.04 2.70 2.75 1z0hA1 GLY 940 H -0.00 0.51 -0.54 -0.55 8.43 7.85 1z0hA1 GLY 940 HA2 0.01 0.20 0.85 -0.51 4.01 4.56 1z0hA1 GLY 940 HA3 0.00 0.01 0.32 -0.51 4.01 3.83 1z0hA1 ILE 941 H -0.02 0.24 -0.17 -0.55 8.25 7.76 1z0hA1 ILE 941 HA -0.14 0.10 0.34 -0.75 4.18 3.73 1z0hA1 ILE 941 HB -0.04 -0.04 0.09 -0.04 1.89 1.85 1z0hA1 ILE 941 HG12 -0.03 0.21 0.10 -0.04 1.49 1.72 1z0hA1 ILE 941 HG13 -0.05 -0.06 0.08 -0.04 1.21 1.15 1z0hA1 ILE 941 HG23 -0.30 -0.01 -0.09 -0.04 0.93 0.49 1z0hA1 ILE 941 HD13 -0.29 -0.00 -0.05 -0.04 0.88 0.49 1z0hA1 GLN 942 H -0.01 0.12 -0.12 -0.55 8.47 7.92 1z0hA1 GLN 942 HA -0.08 0.09 0.36 -0.75 4.36 3.98 1z0hA1 GLN 942 HB2 0.05 -0.02 0.06 -0.04 2.15 2.19 1z0hA1 GLN 942 HB3 0.14 0.08 -0.01 -0.04 2.02 2.18 1z0hA1 GLN 942 HG2 0.05 -0.07 0.05 -0.04 2.40 2.39 1z0hA1 GLN 942 HG3 0.07 0.07 0.02 -0.04 2.39 2.50 1z0hA1 GLN 942 HE21 0.31 0.03 -0.02 -0.04 6.97 7.25 1z0hA1 GLN 942 HE22 0.12 -0.04 -0.01 -0.04 7.69 7.72 1z0hA1 ASN 943 H 0.02 0.08 -0.21 -0.55 8.53 7.88 1z0hA1 ASN 943 HA 0.05 0.06 0.40 -0.75 4.76 4.52 1z0hA1 ASN 943 HB2 0.02 0.02 0.11 -0.04 2.88 2.99 1z0hA1 ASN 943 HB3 0.01 0.06 0.02 -0.04 2.79 2.84 1z0hA1 ASN 943 HD21 0.00 0.01 -0.02 -0.04 7.03 6.98 1z0hA1 ASN 943 HD22 -0.00 -0.02 -0.03 -0.04 7.74 7.65 1z0hA1 TYR 944 H 0.08 0.32 -0.24 -0.55 8.29 7.90 1z0hA1 TYR 944 HA -0.03 0.06 0.44 -0.75 4.56 4.27 1z0hA1 TYR 944 HB2 -0.03 -0.06 0.12 -0.04 3.06 3.06 1z0hA1 TYR 944 HB3 -0.13 0.11 0.21 -0.04 2.98 3.13 1z0hA1 TYR 944 HD2 -0.10 0.03 -0.06 -0.04 7.15 6.98 1z0hA1 TYR 944 HE2 0.02 0.11 -0.09 -0.04 6.85 6.86 1z0hA1 ILE 945 H -0.14 0.51 0.00 -0.55 8.25 8.07 1z0hA1 ILE 945 HA -0.33 0.01 0.39 -0.75 4.18 3.49 1z0hA1 ILE 945 HB -0.71 0.03 0.11 -0.04 1.89 1.28 1z0hA1 ILE 945 HG12 -0.85 -0.02 -0.01 -0.04 1.49 0.57 1z0hA1 ILE 945 HG13 -0.26 -0.02 0.01 -0.04 1.21 0.90 1z0hA1 ILE 945 HG23 -0.58 -0.00 -0.17 -0.04 0.93 0.14 1z0hA1 ILE 945 HD13 -0.37 -0.04 -0.01 -0.04 0.88 0.42 1z0hA1 HIS 946 H -0.16 0.43 -0.16 -0.55 8.41 7.98 1z0hA1 HIS 946 HA -0.07 0.21 0.86 -0.75 4.63 4.87 1z0hA1 HIS 946 HB2 -0.04 0.03 0.05 -0.04 3.26 3.26 1z0hA1 HIS 946 HB3 -0.03 -0.05 0.00 -0.04 3.20 3.08 1z0hA1 HIS 946 HD2 -0.02 0.03 -0.06 -0.04 6.97 6.87 1z0hA1 HIS 946 HE1 0.05 -0.07 -0.02 -0.04 7.75 7.67 1z0hA1 ASN 947 H 0.01 0.54 0.04 -0.55 8.53 8.57 1z0hA1 ASN 947 HA 0.04 0.05 0.83 -0.75 4.76 4.92 1z0hA1 ASN 947 HB2 0.02 0.06 0.24 -0.04 2.88 3.15 1z0hA1 ASN 947 HB3 0.03 -0.02 0.08 -0.04 2.79 2.83 1z0hA1 ASN 947 HD21 0.01 -0.14 0.04 -0.04 7.03 6.90 1z0hA1 ASN 947 HD22 -0.00 0.10 0.12 -0.04 7.74 7.92 1z0hA1 GLU 948 H 0.02 0.13 0.22 -0.55 8.60 8.43 1z0hA1 GLU 948 HA 0.01 0.26 0.76 -0.75 4.29 4.56 1z0hA1 GLU 948 HB2 -0.04 0.02 0.01 -0.04 2.09 2.04 1z0hA1 GLU 948 HB3 -0.01 -0.06 0.08 -0.04 1.99 1.96 1z0hA1 GLU 948 HG2 -0.05 -0.01 -0.33 -0.04 2.34 1.91 1z0hA1 GLU 948 HG3 -0.10 0.01 -0.30 -0.04 2.34 1.92 1z0hA1 TYR 949 H -0.17 0.64 0.34 -0.55 8.29 8.54 1z0hA1 TYR 949 HA -0.02 0.25 0.89 -0.75 4.56 4.92 1z0hA1 TYR 949 HB2 -0.01 -0.03 -0.30 -0.04 3.06 2.68 1z0hA1 TYR 949 HB3 -0.02 -0.05 -0.39 -0.04 2.98 2.48 1z0hA1 TYR 949 HD2 -0.02 0.11 -0.14 -0.04 7.15 7.06 1z0hA1 TYR 949 HE2 -0.04 -0.03 -0.11 -0.04 6.85 6.64 1z0hA1 THR 950 H 0.06 0.61 0.32 -0.55 8.28 8.72 1z0hA1 THR 950 HA -0.05 0.04 0.70 -0.75 4.39 4.32 1z0hA1 THR 950 HB 0.00 0.02 0.12 -0.04 4.32 4.42 1z0hA1 THR 950 HG23 -0.04 0.00 -0.20 -0.04 1.22 0.94 1z0hA1 ILE 951 H -0.01 0.58 0.47 -0.55 8.25 8.74 1z0hA1 ILE 951 HA 0.09 0.23 0.91 -0.75 4.18 4.65 1z0hA1 ILE 951 HB 0.09 -0.05 -0.05 -0.04 1.89 1.85 1z0hA1 ILE 951 HG12 0.01 0.08 -0.11 -0.04 1.49 1.43 1z0hA1 ILE 951 HG13 0.04 -0.01 -0.03 -0.04 1.21 1.16 1z0hA1 ILE 951 HG23 0.04 0.00 -0.19 -0.04 0.93 0.75 1z0hA1 ILE 951 HD13 0.08 -0.01 -0.15 -0.04 0.88 0.76 1z0hA1 ILE 952 H 0.00 0.32 0.35 -0.55 8.25 8.38 1z0hA1 ILE 952 HA -0.24 0.46 1.02 -0.75 4.18 4.67 1z0hA1 ILE 952 HB 0.11 -0.10 0.07 -0.04 1.89 1.94 1z0hA1 ILE 952 HG12 -0.42 0.10 -0.13 -0.04 1.49 0.99 1z0hA1 ILE 952 HG13 -0.07 -0.13 -0.49 -0.04 1.21 0.49 1z0hA1 ILE 952 HG23 -0.58 0.00 -0.24 -0.04 0.93 0.07 1z0hA1 ILE 952 HD13 -0.32 -0.00 -0.13 -0.04 0.88 0.38 1z0hA1 ASN 953 H -0.27 0.59 0.30 -0.55 8.53 8.60 1z0hA1 ASN 953 HA -0.32 0.17 1.11 -0.75 4.76 4.96 1z0hA1 ASN 953 HB2 -0.13 -0.01 -0.13 -0.04 2.88 2.56 1z0hA1 ASN 953 HB3 -0.17 -0.01 0.10 -0.04 2.79 2.68 1z0hA1 ASN 953 HD21 -0.14 -0.02 -0.16 -0.04 7.03 6.67 1z0hA1 ASN 953 HD22 -0.13 -0.01 -0.04 -0.04 7.74 7.51 1z0hA1 CYS 954 H -0.79 0.76 0.26 -0.55 8.50 8.18 1z0hA1 CYS 954 HA -0.44 0.43 0.95 -0.75 4.58 4.77 1z0hA1 CYS 954 HB2 -1.10 -0.06 -0.14 -0.04 2.97 1.63 1z0hA1 CYS 954 HB3 -2.42 -0.06 0.14 -0.04 2.97 0.59 1z0hA1 MET 955 H -0.24 0.31 0.12 -0.55 8.47 8.11 1z0hA1 MET 955 HA -0.20 0.39 0.98 -0.75 4.52 4.94 1z0hA1 MET 955 HB2 -0.14 -0.07 -0.13 -0.04 2.15 1.78 1z0hA1 MET 955 HB3 -0.12 -0.06 -0.19 -0.04 2.03 1.62 1z0hA1 MET 955 HG2 -0.21 0.09 -0.48 -0.04 2.63 1.99 1z0hA1 MET 955 HG3 -0.26 -0.13 -0.59 -0.04 2.56 1.54 1z0hA1 MET 955 HE3 -0.11 -0.01 -0.17 -0.04 2.10 1.77 1z0hA1 LYS 956 H -0.09 0.74 0.28 -0.55 8.42 8.79 1z0hA1 LYS 956 HA -0.07 0.09 0.76 -0.75 4.32 4.35 1z0hA1 LYS 956 HB2 -0.07 -0.02 -0.17 -0.04 1.87 1.56 1z0hA1 LYS 956 HB3 -0.06 -0.01 0.03 -0.04 1.79 1.70 1z0hA1 LYS 956 HG2 -0.04 0.01 -0.06 -0.04 1.46 1.32 1z0hA1 LYS 956 HG3 -0.04 0.02 0.05 -0.04 1.46 1.45 1z0hA1 LYS 956 HD2 -0.05 0.02 -0.16 -0.04 1.69 1.46 1z0hA1 LYS 956 HD3 -0.04 -0.04 -0.06 -0.04 1.68 1.50 1z0hA1 LYS 956 HE2 -0.02 0.02 0.03 -0.04 2.99 2.97 1z0hA1 LYS 956 HE3 -0.03 0.01 -0.00 -0.04 2.99 2.93 1z0hA1 ASN 957 H -0.05 0.17 0.13 -0.55 8.53 8.24 1z0hA1 ASN 957 HA -0.03 0.04 0.33 -0.75 4.76 4.34 1z0hA1 ASN 957 HB2 -0.03 0.17 -0.01 -0.04 2.88 2.97 1z0hA1 ASN 957 HB3 -0.02 0.05 0.21 -0.04 2.79 2.98 1z0hA1 ASN 957 HD21 -0.02 0.04 -0.04 -0.04 7.03 6.96 1z0hA1 ASN 957 HD22 -0.02 0.01 -0.11 -0.04 7.74 7.58 1z0hA1 ASN 958 H -0.05 -0.01 -0.28 -0.55 8.53 7.65 1z0hA1 ASN 958 HA -0.06 -0.02 0.13 -0.75 4.76 4.06 1z0hA1 ASN 958 HB2 -0.03 0.21 -0.10 -0.04 2.88 2.92 1z0hA1 ASN 958 HB3 -0.03 0.01 0.11 -0.04 2.79 2.83 1z0hA1 ASN 958 HD21 -0.03 -0.02 -0.10 -0.04 7.03 6.84 1z0hA1 ASN 958 HD22 -0.02 0.10 -0.21 -0.04 7.74 7.57 1z0hA1 SER 959 H -0.06 0.14 -0.32 -0.55 8.46 7.68 1z0hA1 SER 959 HA -0.03 0.26 0.71 -0.75 4.49 4.67 1z0hA1 SER 959 HB2 -0.02 0.12 -0.26 -0.04 3.95 3.75 1z0hA1 SER 959 HB3 -0.03 0.01 0.04 -0.04 3.93 3.91 1z0hA1 GLY 960 H -0.02 0.64 0.41 -0.55 8.43 8.93 1z0hA1 GLY 960 HA2 -0.00 0.14 0.39 -0.51 4.01 4.03 1z0hA1 GLY 960 HA3 -0.17 0.30 1.10 -0.51 4.01 4.73 1z0hA1 TRP 961 H -0.56 0.59 0.38 -0.55 7.97 7.83 1z0hA1 TRP 961 HA -0.30 0.33 1.04 -0.75 4.62 4.94 1z0hA1 TRP 961 HB2 -1.11 -0.01 0.13 -0.04 3.23 2.21 1z0hA1 TRP 961 HB3 -0.16 -0.03 -0.05 -0.04 3.23 2.95 1z0hA1 TRP 961 HD1 0.15 -0.01 -0.10 -0.04 7.22 7.22 1z0hA1 TRP 961 HE1 0.31 0.03 -0.06 -0.04 10.20 10.44 1z0hA1 TRP 961 HE3 -0.01 0.03 -0.42 -0.04 7.59 7.14 1z0hA1 TRP 961 HZ2 0.37 0.01 -0.13 -0.04 7.44 7.65 1z0hA1 TRP 961 HZ3 0.22 -0.02 -0.22 -0.04 7.13 7.06 1z0hA1 TRP 961 HH2 0.31 -0.01 -0.19 -0.04 7.19 7.26 1z0hA1 LYS 962 H -0.17 0.46 0.39 -0.55 8.42 8.55 1z0hA1 LYS 962 HA 0.10 0.14 0.62 -0.75 4.32 4.43 1z0hA1 LYS 962 HB2 -0.06 0.10 0.20 -0.04 1.87 2.07 1z0hA1 LYS 962 HB3 -0.14 0.01 -0.15 -0.04 1.79 1.47 1z0hA1 LYS 962 HG2 -0.08 -0.01 -0.14 -0.04 1.46 1.19 1z0hA1 LYS 962 HG3 -0.02 -0.02 -0.36 -0.04 1.46 1.02 1z0hA1 LYS 962 HD2 -0.05 0.01 -0.16 -0.04 1.69 1.45 1z0hA1 LYS 962 HD3 -0.07 -0.00 -0.17 -0.04 1.68 1.39 1z0hA1 LYS 962 HE2 -0.05 -0.00 -0.19 -0.04 2.99 2.71 1z0hA1 LYS 962 HE3 -0.03 -0.03 -0.21 -0.04 2.99 2.68 1z0hA1 ILE 963 H 0.19 0.68 0.42 -0.55 8.25 8.99 1z0hA1 ILE 963 HA 0.30 0.43 1.16 -0.75 4.18 5.31 1z0hA1 ILE 963 HB 0.24 -0.10 0.19 -0.04 1.89 2.18 1z0hA1 ILE 963 HG12 0.75 0.05 -0.03 -0.04 1.49 2.21 1z0hA1 ILE 963 HG13 0.78 -0.09 -0.30 -0.04 1.21 1.56 1z0hA1 ILE 963 HG23 0.26 0.01 -0.10 -0.04 0.93 1.05 1z0hA1 ILE 963 HD13 0.38 -0.00 -0.11 -0.04 0.88 1.10 1z0hA1 SER 964 H 0.10 0.62 0.36 -0.55 8.46 9.00 1z0hA1 SER 964 HA -0.10 0.11 1.02 -0.75 4.49 4.77 1z0hA1 SER 964 HB2 -0.11 0.08 -0.15 -0.04 3.95 3.74 1z0hA1 SER 964 HB3 -0.04 -0.04 -0.19 -0.04 3.93 3.61 1z0hA1 ILE 965 H -0.48 0.68 0.33 -0.55 8.25 8.23 1z0hA1 ILE 965 HA -0.14 0.33 1.06 -0.75 4.18 4.68 1z0hA1 ILE 965 HB -1.05 -0.01 0.07 -0.04 1.89 0.86 1z0hA1 ILE 965 HG12 0.02 0.04 -0.06 -0.04 1.49 1.45 1z0hA1 ILE 965 HG13 -0.11 -0.12 -0.41 -0.04 1.21 0.52 1z0hA1 ILE 965 HG23 -0.06 -0.01 -0.20 -0.04 0.93 0.62 1z0hA1 ILE 965 HD13 0.09 0.00 -0.11 -0.04 0.88 0.82 1z0hA1 ARG 966 H -0.17 0.58 0.08 -0.55 8.46 8.39 1z0hA1 ARG 966 HA -0.11 0.26 0.73 -0.75 4.34 4.47 1z0hA1 ARG 966 HB2 -0.12 -0.09 -0.14 -0.04 1.90 1.51 1z0hA1 ARG 966 HB3 -0.18 -0.07 0.11 -0.04 1.80 1.61 1z0hA1 ARG 966 HG2 -0.17 0.23 -0.26 -0.04 1.67 1.44 1z0hA1 ARG 966 HG3 -0.07 -0.03 -0.48 -0.04 1.67 1.04 1z0hA1 ARG 966 HD2 -0.06 0.08 -0.01 -0.04 3.22 3.19 1z0hA1 ARG 966 HD3 -0.08 -0.10 -0.07 -0.04 3.22 2.93 1z0hA1 GLY 967 H -0.27 0.23 0.04 -0.55 8.43 7.88 1z0hA1 GLY 967 HA2 -1.85 -0.02 0.30 -0.51 4.01 1.92 1z0hA1 GLY 967 HA3 -0.87 -0.03 0.32 -0.51 4.01 2.92 1z0hA1 ASN 968 H -0.31 0.14 0.20 -0.55 8.53 8.01 1z0hA1 ASN 968 HA -0.30 0.16 0.63 -0.75 4.76 4.49 1z0hA1 ASN 968 HB2 -0.82 0.11 0.26 -0.04 2.88 2.39 1z0hA1 ASN 968 HB3 0.08 -0.06 0.07 -0.04 2.79 2.84 1z0hA1 ASN 968 HD21 -0.10 -0.06 -0.02 -0.04 7.03 6.81 1z0hA1 ASN 968 HD22 -0.16 0.46 0.10 -0.04 7.74 8.09 1z0hA1 ARG 969 H -0.26 0.44 -0.44 -0.55 8.46 7.64 1z0hA1 ARG 969 HA -0.22 0.26 1.16 -0.75 4.34 4.79 1z0hA1 ARG 969 HB2 -0.29 -0.05 -0.07 -0.04 1.90 1.44 1z0hA1 ARG 969 HB3 -0.24 0.07 0.09 -0.04 1.80 1.69 1z0hA1 ARG 969 HG2 -0.10 -0.01 -0.50 -0.04 1.67 1.02 1z0hA1 ARG 969 HG3 -0.11 -0.01 -0.24 -0.04 1.67 1.26 1z0hA1 ARG 969 HD2 -0.42 0.01 -0.14 -0.04 3.22 2.62 1z0hA1 ARG 969 HD3 -1.07 -0.04 -0.19 -0.04 3.22 1.88 1z0hA1 ILE 970 H 0.12 0.71 0.34 -0.55 8.25 8.88 1z0hA1 ILE 970 HA 0.11 0.22 0.96 -0.75 4.18 4.71 1z0hA1 ILE 970 HB 0.36 -0.09 0.13 -0.04 1.89 2.24 1z0hA1 ILE 970 HG12 0.31 0.04 -0.15 -0.04 1.49 1.66 1z0hA1 ILE 970 HG13 0.41 0.02 -0.10 -0.04 1.21 1.50 1z0hA1 ILE 970 HG23 0.31 0.00 -0.09 -0.04 0.93 1.11 1z0hA1 ILE 970 HD13 0.65 -0.01 -0.10 -0.04 0.88 1.38 1z0hA1 ILE 971 H 0.12 0.95 0.38 -0.55 8.25 9.15 1z0hA1 ILE 971 HA 0.27 0.18 1.14 -0.75 4.18 5.02 1z0hA1 ILE 971 HB 0.06 -0.09 -0.05 -0.04 1.89 1.77 1z0hA1 ILE 971 HG12 0.01 -0.00 -0.42 -0.04 1.49 1.03 1z0hA1 ILE 971 HG13 -0.00 0.08 -0.40 -0.04 1.21 0.85 1z0hA1 ILE 971 HG23 0.13 0.01 -0.23 -0.04 0.93 0.80 1z0hA1 ILE 971 HD13 -0.08 -0.01 -0.23 -0.04 0.88 0.52 1z0hA1 TRP 972 H 0.37 0.64 0.38 -0.55 7.97 8.81 1z0hA1 TRP 972 HA 0.15 0.23 0.98 -0.75 4.62 5.24 1z0hA1 TRP 972 HB2 0.08 -0.02 0.02 -0.04 3.23 3.27 1z0hA1 TRP 972 HB3 0.06 0.03 0.20 -0.04 3.23 3.48 1z0hA1 TRP 972 HD1 0.01 -0.09 -0.15 -0.04 7.22 6.95 1z0hA1 TRP 972 HE1 -0.05 -0.01 -0.17 -0.04 10.20 9.94 1z0hA1 TRP 972 HE3 0.12 0.02 -0.03 -0.04 7.59 7.65 1z0hA1 TRP 972 HZ2 -0.22 0.00 -0.16 -0.04 7.44 7.02 1z0hA1 TRP 972 HZ3 -0.62 -0.02 -0.15 -0.04 7.13 6.31 1z0hA1 TRP 972 HH2 -1.16 -0.00 -0.14 -0.04 7.19 5.85 1z0hA1 THR 973 H -0.38 0.62 0.37 -0.55 8.28 8.34 1z0hA1 THR 973 HA -0.15 0.28 1.26 -0.75 4.39 5.02 1z0hA1 THR 973 HB -0.11 -0.04 0.01 -0.04 4.32 4.13 1z0hA1 THR 973 HG23 -0.06 -0.00 -0.25 -0.04 1.22 0.86 1z0hA1 LEU 974 H -0.12 0.68 0.39 -0.55 8.37 8.77 1z0hA1 LEU 974 HA -0.09 0.22 1.00 -0.75 4.35 4.73 1z0hA1 LEU 974 HB2 0.05 -0.03 0.10 -0.04 1.64 1.72 1z0hA1 LEU 974 HB3 0.11 0.02 -0.04 -0.04 1.64 1.68 1z0hA1 LEU 974 HG 0.04 -0.06 -0.18 -0.04 1.64 1.41 1z0hA1 LEU 974 HD13 0.26 -0.00 -0.12 -0.04 0.93 1.03 1z0hA1 LEU 974 HD23 0.41 0.01 -0.11 -0.04 0.89 1.16 1z0hA1 ILE 975 H 0.02 0.69 0.32 -0.55 8.25 8.73 1z0hA1 ILE 975 HA 0.00 0.35 0.92 -0.75 4.18 4.69 1z0hA1 ILE 975 HB -0.04 -0.12 0.03 -0.04 1.89 1.72 1z0hA1 ILE 975 HG12 -0.03 0.07 -0.19 -0.04 1.49 1.30 1z0hA1 ILE 975 HG13 -0.06 -0.09 -0.65 -0.04 1.21 0.38 1z0hA1 ILE 975 HG23 -0.02 0.05 -0.12 -0.04 0.93 0.80 1z0hA1 ILE 975 HD13 -0.05 -0.01 -0.21 -0.04 0.88 0.57 1z0hA1 ASP 976 H 0.02 0.43 0.16 -0.55 8.40 8.46 1z0hA1 ASP 976 HA 0.03 0.22 0.60 -0.75 4.63 4.74 1z0hA1 ASP 976 HB2 0.04 -0.01 -0.08 -0.04 2.71 2.62 1z0hA1 ASP 976 HB3 0.05 0.13 -0.09 -0.04 2.70 2.75 1z0hA1 ILE 977 H 0.02 0.50 0.28 -0.55 8.25 8.50 1z0hA1 ILE 977 HA -0.00 0.14 0.40 -0.75 4.18 3.96 1z0hA1 ILE 977 HB 0.01 0.03 0.11 -0.04 1.89 2.00 1z0hA1 ILE 977 HG12 0.02 -0.08 0.17 -0.04 1.49 1.56 1z0hA1 ILE 977 HG13 0.01 0.04 -0.17 -0.04 1.21 1.06 1z0hA1 ILE 977 HG23 0.01 0.09 0.04 -0.04 0.93 1.03 1z0hA1 ILE 977 HD13 0.02 0.00 0.02 -0.04 0.88 0.88 1z0hA1 ASN 978 H 0.01 -0.08 -0.46 -0.55 8.53 7.46 1z0hA1 ASN 978 HA 0.00 0.26 0.87 -0.75 4.76 5.14 1z0hA1 ASN 978 HB2 0.01 -0.10 0.07 -0.04 2.88 2.83 1z0hA1 ASN 978 HB3 0.01 0.03 0.06 -0.04 2.79 2.85 1z0hA1 ASN 978 HD21 0.01 0.01 0.00 -0.04 7.03 7.02 1z0hA1 ASN 978 HD22 0.01 -0.00 0.02 -0.04 7.74 7.73 1z0hA1 GLY 979 H 0.00 0.55 -0.12 -0.55 8.43 8.31 1z0hA1 GLY 979 HA2 -0.01 0.16 0.29 -0.51 4.01 3.94 1z0hA1 GLY 979 HA3 -0.01 0.13 0.67 -0.51 4.01 4.29 1z0hA1 LYS 980 H 0.01 -0.13 -0.23 -0.55 8.42 7.52 1z0hA1 LYS 980 HA 0.01 0.08 0.46 -0.75 4.32 4.11 1z0hA1 LYS 980 HB2 0.01 0.02 0.05 -0.04 1.87 1.92 1z0hA1 LYS 980 HB3 0.02 -0.18 0.12 -0.04 1.79 1.71 1z0hA1 LYS 980 HG2 0.02 0.01 -0.08 -0.04 1.46 1.38 1z0hA1 LYS 980 HG3 0.02 0.14 -0.09 -0.04 1.46 1.49 1z0hA1 LYS 980 HD2 0.01 -0.01 0.03 -0.04 1.69 1.69 1z0hA1 LYS 980 HD3 0.02 -0.01 0.02 -0.04 1.68 1.66 1z0hA1 LYS 980 HE2 0.02 0.04 0.01 -0.04 2.99 3.01 1z0hA1 LYS 980 HE3 0.01 -0.03 0.01 -0.04 2.99 2.93 1z0hA1 THR 981 H 0.01 0.12 0.24 -0.55 8.28 8.09 1z0hA1 THR 981 HA 0.00 0.40 1.10 -0.75 4.39 5.14 1z0hA1 THR 981 HB 0.00 -0.06 0.09 -0.04 4.32 4.31 1z0hA1 THR 981 HG23 -0.00 -0.01 -0.15 -0.04 1.22 1.02 1z0hA1 LYS 982 H 0.01 0.51 0.31 -0.55 8.42 8.70 1z0hA1 LYS 982 HA 0.04 0.07 0.62 -0.75 4.32 4.30 1z0hA1 LYS 982 HB2 0.06 -0.02 0.01 -0.04 1.87 1.87 1z0hA1 LYS 982 HB3 0.07 0.01 -0.03 -0.04 1.79 1.79 1z0hA1 LYS 982 HG2 0.04 0.06 -0.53 -0.04 1.46 0.99 1z0hA1 LYS 982 HG3 0.05 -0.05 -0.09 -0.04 1.46 1.33 1z0hA1 LYS 982 HD2 0.04 0.06 0.09 -0.04 1.69 1.84 1z0hA1 LYS 982 HD3 0.04 0.03 0.25 -0.04 1.68 1.95 1z0hA1 LYS 982 HE2 0.03 0.05 -0.02 -0.04 2.99 3.01 1z0hA1 LYS 982 HE3 0.03 -0.12 -0.05 -0.04 2.99 2.80 1z0hA1 SER 983 H 0.07 0.22 0.18 -0.55 8.46 8.38 1z0hA1 SER 983 HA 0.09 0.34 1.09 -0.75 4.49 5.25 1z0hA1 SER 983 HB2 0.11 -0.05 0.01 -0.04 3.95 3.97 1z0hA1 SER 983 HB3 0.15 0.03 -0.06 -0.04 3.93 4.01 1z0hA1 VAL 984 H 0.25 0.61 0.34 -0.55 8.24 8.89 1z0hA1 VAL 984 HA 0.02 0.12 0.76 -0.75 4.13 4.28 1z0hA1 VAL 984 HB 0.09 0.01 -0.09 -0.04 2.12 2.09 1z0hA1 VAL 984 HG13 0.27 0.00 -0.14 -0.04 0.97 1.06 1z0hA1 VAL 984 HG23 -0.08 0.03 -0.19 -0.04 0.95 0.67 1z0hA1 PHE 985 H -0.40 0.21 0.16 -0.55 8.34 7.76 1z0hA1 PHE 985 HA 0.13 0.22 1.00 -0.75 4.62 5.21 1z0hA1 PHE 985 HB2 0.03 0.15 -0.02 -0.04 3.15 3.27 1z0hA1 PHE 985 HB3 0.05 -0.05 -0.25 -0.04 3.06 2.77 1z0hA1 PHE 985 HD2 -0.02 -0.02 -0.40 -0.04 7.28 6.80 1z0hA1 PHE 985 HE2 -0.04 0.00 -0.07 -0.04 7.38 7.23 1z0hA1 PHE 985 HZ -0.03 0.00 -0.03 -0.04 7.32 7.22 1z0hA1 PHE 986 H 0.36 0.66 0.31 -0.55 8.34 9.12 1z0hA1 PHE 986 HA -0.01 0.15 0.88 -0.75 4.62 4.89 1z0hA1 PHE 986 HB2 -0.04 -0.03 -0.08 -0.04 3.15 2.97 1z0hA1 PHE 986 HB3 0.08 -0.00 0.12 -0.04 3.06 3.21 1z0hA1 PHE 986 HD2 -0.02 -0.00 -0.06 -0.04 7.28 7.16 1z0hA1 PHE 986 HE2 -0.51 0.01 -0.08 -0.04 7.38 6.76 1z0hA1 PHE 986 HZ -1.21 -0.03 -0.08 -0.04 7.32 5.95 1z0hA1 GLU 987 H -0.33 0.24 0.14 -0.55 8.60 8.10 1z0hA1 GLU 987 HA -0.44 0.37 1.12 -0.75 4.29 4.58 1z0hA1 GLU 987 HB2 -0.05 -0.04 -0.10 -0.04 2.09 1.86 1z0hA1 GLU 987 HB3 -0.06 -0.04 0.06 -0.04 1.99 1.91 1z0hA1 GLU 987 HG2 -0.23 0.03 -0.28 -0.04 2.34 1.81 1z0hA1 GLU 987 HG3 -0.30 0.07 -0.20 -0.04 2.34 1.88 1z0hA1 TYR 988 H -0.96 0.55 0.27 -0.55 8.29 7.59 1z0hA1 TYR 988 HA -0.37 0.12 0.93 -0.75 4.56 4.49 1z0hA1 TYR 988 HB2 0.01 -0.05 0.07 -0.04 3.06 3.04 1z0hA1 TYR 988 HB3 -0.66 0.02 -0.00 -0.04 2.98 2.29 1z0hA1 TYR 988 HD2 -0.03 0.03 -0.16 -0.04 7.15 6.95 1z0hA1 TYR 988 HE2 0.29 -0.01 -0.09 -0.04 6.85 6.99 1z0hA1 ASN 989 H 0.11 0.11 0.16 -0.55 8.53 8.36 1z0hA1 ASN 989 HA 0.05 0.07 0.43 -0.75 4.76 4.56 1z0hA1 ASN 989 HB2 0.07 0.08 0.13 -0.04 2.88 3.12 1z0hA1 ASN 989 HB3 0.15 -0.01 0.13 -0.04 2.79 3.01 1z0hA1 ASN 989 HD21 0.08 0.12 -0.26 -0.04 7.03 6.94 1z0hA1 ASN 989 HD22 0.10 0.03 -0.09 -0.04 7.74 7.74 1z0hA1 ILE 990 H 0.09 0.20 0.18 -0.55 8.25 8.18 1z0hA1 ILE 990 HA 0.29 0.22 1.00 -0.75 4.18 4.94 1z0hA1 ILE 990 HB 0.08 -0.06 0.23 -0.04 1.89 2.09 1z0hA1 ILE 990 HG12 0.05 -0.04 0.11 -0.04 1.49 1.57 1z0hA1 ILE 990 HG13 0.02 0.27 -0.02 -0.04 1.21 1.44 1z0hA1 ILE 990 HG23 0.29 0.03 -0.03 -0.04 0.93 1.18 1z0hA1 ILE 990 HD13 -0.05 -0.04 -0.04 -0.04 0.88 0.71 1z0hA1 ARG 991 H 0.13 0.02 -0.14 -0.55 8.46 7.91 1z0hA1 ARG 991 HA 0.10 0.09 0.84 -0.75 4.34 4.62 1z0hA1 ARG 991 HB2 0.06 -0.07 0.01 -0.04 1.90 1.86 1z0hA1 ARG 991 HB3 0.06 0.00 0.08 -0.04 1.80 1.90 1z0hA1 ARG 991 HG2 0.03 -0.06 -0.40 -0.04 1.67 1.20 1z0hA1 ARG 991 HG3 0.04 0.15 -0.23 -0.04 1.67 1.59 1z0hA1 ARG 991 HD2 0.01 0.15 -0.22 -0.04 3.22 3.12 1z0hA1 ARG 991 HD3 0.02 -0.09 -0.07 -0.04 3.22 3.04 1z0hA1 GLU 992 H 0.19 0.13 -0.18 -0.55 8.60 8.20 1z0hA1 GLU 992 HA 0.13 0.16 0.77 -0.75 4.29 4.59 1z0hA1 GLU 992 HB2 0.15 -0.08 -0.07 -0.04 2.09 2.04 1z0hA1 GLU 992 HB3 0.19 0.04 -0.15 -0.04 1.99 2.03 1z0hA1 GLU 992 HG2 0.14 -0.03 -0.18 -0.04 2.34 2.23 1z0hA1 GLU 992 HG3 0.11 -0.02 0.04 -0.04 2.34 2.44 1z0hA1 ASP 993 H 0.13 0.14 0.05 -0.55 8.40 8.17 1z0hA1 ASP 993 HA 0.17 -0.02 0.25 -0.75 4.63 4.28 1z0hA1 ASP 993 HB2 0.12 -0.05 0.10 -0.04 2.71 2.84 1z0hA1 ASP 993 HB3 0.13 0.06 -0.06 -0.04 2.70 2.79 1z0hA1 ILE 994 H 0.15 0.13 -0.11 -0.55 8.25 7.87 1z0hA1 ILE 994 HA 0.15 0.21 0.83 -0.75 4.18 4.61 1z0hA1 ILE 994 HB 0.19 -0.08 0.05 -0.04 1.89 2.01 1z0hA1 ILE 994 HG12 0.18 -0.21 -0.44 -0.04 1.49 0.98 1z0hA1 ILE 994 HG13 0.38 0.06 -0.11 -0.04 1.21 1.49 1z0hA1 ILE 994 HG23 0.06 0.02 -0.18 -0.04 0.93 0.79 1z0hA1 ILE 994 HD13 0.09 0.07 -0.03 -0.04 0.88 0.96 1z0hA1 SER 995 H 0.18 0.22 0.05 -0.55 8.46 8.36 1z0hA1 SER 995 HA 0.13 0.09 0.74 -0.75 4.49 4.69 1z0hA1 SER 995 HB2 0.27 0.11 0.07 -0.04 3.95 4.36 1z0hA1 SER 995 HB3 0.26 0.11 0.13 -0.04 3.93 4.38 1z0hA1 GLU 996 H -0.11 0.11 0.18 -0.55 8.60 8.24 1z0hA1 GLU 996 HA -0.29 0.21 0.57 -0.75 4.29 4.02 1z0hA1 GLU 996 HB2 -0.83 -0.05 0.06 -0.04 2.09 1.23 1z0hA1 GLU 996 HB3 -0.48 0.06 0.11 -0.04 1.99 1.65 1z0hA1 GLU 996 HG2 -0.10 -0.04 0.01 -0.04 2.34 2.17 1z0hA1 GLU 996 HG3 -0.15 -0.01 0.02 -0.04 2.34 2.17 1z0hA1 TYR 997 H -0.05 -0.18 -0.22 -0.55 8.29 7.29 1z0hA1 TYR 997 HA -0.01 0.40 1.00 -0.75 4.56 5.20 1z0hA1 TYR 997 HB2 -0.53 -0.08 0.03 -0.04 3.06 2.44 1z0hA1 TYR 997 HB3 -0.70 0.05 -0.06 -0.04 2.98 2.22 1z0hA1 TYR 997 HD2 -0.52 0.01 -0.03 -0.04 7.15 6.57 1z0hA1 TYR 997 HE2 -0.10 -0.00 -0.04 -0.04 6.85 6.66 1z0hA1 ILE 998 H 0.09 -0.06 0.01 -0.55 8.25 7.74 1z0hA1 ILE 998 HA 0.07 0.07 0.35 -0.75 4.18 3.91 1z0hA1 ILE 998 HB 0.46 -0.02 0.09 -0.04 1.89 2.39 1z0hA1 ILE 998 HG12 0.41 0.05 0.03 -0.04 1.49 1.94 1z0hA1 ILE 998 HG13 0.24 -0.10 0.09 -0.04 1.21 1.40 1z0hA1 ILE 998 HG23 0.20 0.02 -0.10 -0.04 0.93 1.01 1z0hA1 ILE 998 HD13 0.34 -0.00 0.07 -0.04 0.88 1.24 1z0hA1 ASN 999 H 0.16 0.55 0.26 -0.55 8.53 8.95 1z0hA1 ASN 999 HA 0.03 -0.01 0.08 -0.75 4.76 4.12 1z0hA1 ASN 999 HB2 0.12 -0.09 -0.10 -0.04 2.88 2.77 1z0hA1 ASN 999 HB3 0.19 0.13 -0.15 -0.04 2.79 2.92 1z0hA1 ASN 999 HD21 -0.95 -0.18 -0.12 -0.04 7.03 5.74 1z0hA1 ASN 999 HD22 -1.99 0.07 -0.17 -0.04 7.74 5.62 1z0hA1 ARG 1000 H 0.26 0.53 -0.45 -0.55 8.46 8.24 1z0hA1 ARG 1000 HA 0.34 0.16 0.97 -0.75 4.34 5.06 1z0hA1 ARG 1000 HB2 0.21 0.03 -0.16 -0.04 1.90 1.93 1z0hA1 ARG 1000 HB3 0.27 0.05 -0.05 -0.04 1.80 2.03 1z0hA1 ARG 1000 HG2 0.14 -0.05 -0.18 -0.04 1.67 1.54 1z0hA1 ARG 1000 HG3 0.30 0.24 -0.44 -0.04 1.67 1.73 1z0hA1 ARG 1000 HD2 -0.47 -0.01 -0.14 -0.04 3.22 2.56 1z0hA1 ARG 1000 HD3 -0.21 -0.04 -0.39 -0.04 3.22 2.54 1z0hA1 TRP 1001 H 0.37 0.54 0.23 -0.55 7.97 8.56 1z0hA1 TRP 1001 HA 0.26 0.13 0.46 -0.75 4.62 4.71 1z0hA1 TRP 1001 HB2 0.28 0.03 0.16 -0.04 3.23 3.65 1z0hA1 TRP 1001 HB3 0.45 -0.05 -0.07 -0.04 3.23 3.52 1z0hA1 TRP 1001 HD1 -0.05 0.03 -0.20 -0.04 7.22 6.96 1z0hA1 TRP 1001 HE1 -0.29 -0.09 -0.17 -0.04 10.20 9.62 1z0hA1 TRP 1001 HE3 0.34 0.01 -0.25 -0.04 7.59 7.65 1z0hA1 TRP 1001 HZ2 -0.28 -0.06 -0.17 -0.04 7.44 6.90 1z0hA1 TRP 1001 HZ3 0.21 0.02 -0.58 -0.04 7.13 6.74 1z0hA1 TRP 1001 HH2 0.18 -0.01 -0.38 -0.04 7.19 6.94 1z0hA1 PHE 1002 H 0.37 0.43 0.46 -0.55 8.34 9.05 1z0hA1 PHE 1002 HA 0.45 0.11 0.61 -0.75 4.62 5.04 1z0hA1 PHE 1002 HB2 0.20 -0.12 0.12 -0.04 3.15 3.31 1z0hA1 PHE 1002 HB3 0.28 0.23 -0.05 -0.04 3.06 3.48 1z0hA1 PHE 1002 HD2 0.11 0.22 -0.14 -0.04 7.28 7.43 1z0hA1 PHE 1002 HE2 0.08 -0.04 -0.11 -0.04 7.38 7.27 1z0hA1 PHE 1002 HZ 0.36 -0.04 -0.11 -0.04 7.32 7.49 1z0hA1 PHE 1003 H 0.04 0.13 0.19 -0.55 8.34 8.15 1z0hA1 PHE 1003 HA -0.91 0.19 0.90 -0.75 4.62 4.06 1z0hA1 PHE 1003 HB2 -2.17 0.11 0.07 -0.04 3.15 1.11 1z0hA1 PHE 1003 HB3 -0.70 -0.20 0.20 -0.04 3.06 2.32 1z0hA1 PHE 1003 HD2 -1.04 -0.06 -0.10 -0.04 7.28 6.04 1z0hA1 PHE 1003 HE2 -0.10 0.04 -0.08 -0.04 7.38 7.21 1z0hA1 PHE 1003 HZ -0.09 -0.03 -0.09 -0.04 7.32 7.06 1z0hA1 VAL 1004 H -0.79 0.90 0.53 -0.55 8.24 8.32 1z0hA1 VAL 1004 HA -0.57 0.26 1.21 -0.75 4.13 4.27 1z0hA1 VAL 1004 HB -1.74 0.06 0.07 -0.04 2.12 0.47 1z0hA1 VAL 1004 HG13 -0.44 -0.02 -0.16 -0.04 0.97 0.30 1z0hA1 VAL 1004 HG23 -0.17 0.00 -0.16 -0.04 0.95 0.58 1z0hA1 THR 1005 H -0.52 0.52 0.34 -0.55 8.28 8.07 1z0hA1 THR 1005 HA -0.55 0.36 0.96 -0.75 4.39 4.40 1z0hA1 THR 1005 HB -0.49 -0.12 0.03 -0.04 4.32 3.69 1z0hA1 THR 1005 HG23 -0.45 -0.01 -0.21 -0.04 1.22 0.50 1z0hA1 ILE 1006 H -0.47 0.70 0.37 -0.55 8.25 8.29 1z0hA1 ILE 1006 HA -0.41 0.38 1.20 -0.75 4.18 4.59 1z0hA1 ILE 1006 HB -1.18 -0.05 0.20 -0.04 1.89 0.82 1z0hA1 ILE 1006 HG12 -0.37 0.00 -0.07 -0.04 1.49 1.02 1z0hA1 ILE 1006 HG13 -0.38 -0.10 -0.29 -0.04 1.21 0.40 1z0hA1 ILE 1006 HG23 -1.75 0.01 -0.11 -0.04 0.93 -0.95 1z0hA1 ILE 1006 HD13 -0.15 0.00 -0.09 -0.04 0.88 0.60 1z0hA1 THR 1007 H -0.28 0.45 0.34 -0.55 8.28 8.24 1z0hA1 THR 1007 HA -0.43 0.20 1.19 -0.75 4.39 4.60 1z0hA1 THR 1007 HB -0.20 -0.06 0.08 -0.04 4.32 4.10 1z0hA1 THR 1007 HG23 -0.30 0.05 -0.14 -0.04 1.22 0.78 1z0hA1 ASN 1008 H -0.34 0.46 0.37 -0.55 8.53 8.47 1z0hA1 ASN 1008 HA -0.12 0.26 1.10 -0.75 4.76 5.25 1z0hA1 ASN 1008 HB2 -0.51 -0.07 0.11 -0.04 2.88 2.37 1z0hA1 ASN 1008 HB3 0.03 0.10 0.01 -0.04 2.79 2.89 1z0hA1 ASN 1008 HD21 -1.10 -0.04 -0.31 -0.04 7.03 5.54 1z0hA1 ASN 1008 HD22 -1.20 0.32 -0.15 -0.04 7.74 6.67 1z0hA1 ASN 1009 H 0.00 0.43 0.29 -0.55 8.53 8.71 1z0hA1 ASN 1009 HA 0.04 0.18 0.72 -0.75 4.76 4.94 1z0hA1 ASN 1009 HB2 0.01 -0.07 0.20 -0.04 2.88 2.98 1z0hA1 ASN 1009 HB3 -0.01 0.05 0.03 -0.04 2.79 2.82 1z0hA1 ASN 1009 HD21 -0.02 0.00 -0.02 -0.04 7.03 6.95 1z0hA1 ASN 1009 HD22 -0.02 0.05 -0.04 -0.04 7.74 7.68 1z0hA1 LEU 1010 H 0.04 0.10 0.11 -0.55 8.37 8.08 1z0hA1 LEU 1010 HA 0.08 0.25 0.37 -0.75 4.35 4.30 1z0hA1 LEU 1010 HB2 0.04 -0.08 0.09 -0.04 1.64 1.65 1z0hA1 LEU 1010 HB3 0.05 0.09 0.11 -0.04 1.64 1.84 1z0hA1 LEU 1010 HG 0.06 -0.09 0.03 -0.04 1.64 1.61 1z0hA1 LEU 1010 HD13 0.04 -0.00 0.02 -0.04 0.93 0.95 1z0hA1 LEU 1010 HD23 0.08 0.04 -0.00 -0.04 0.89 0.97 1z0hA1 ASN 1011 H 0.03 -0.10 -0.34 -0.55 8.53 7.58 1z0hA1 ASN 1011 HA 0.03 0.28 1.01 -0.75 4.76 5.33 1z0hA1 ASN 1011 HB2 0.01 -0.02 0.02 -0.04 2.88 2.85 1z0hA1 ASN 1011 HB3 0.01 -0.02 0.03 -0.04 2.79 2.77 1z0hA1 ASN 1011 HD21 0.01 0.04 -0.04 -0.04 7.03 7.00 1z0hA1 ASN 1011 HD22 0.01 -0.01 -0.02 -0.04 7.74 7.68 1z0hA1 ASN 1012 H 0.01 0.03 0.03 -0.55 8.53 8.06 1z0hA1 ASN 1012 HA 0.01 0.30 1.12 -0.75 4.76 5.43 1z0hA1 ASN 1012 HB2 -0.02 -0.07 -0.04 -0.04 2.88 2.71 1z0hA1 ASN 1012 HB3 -0.04 0.06 -0.14 -0.04 2.79 2.62 1z0hA1 ASN 1012 HD21 -0.01 0.05 -0.15 -0.04 7.03 6.87 1z0hA1 ASN 1012 HD22 -0.01 -0.06 -0.15 -0.04 7.74 7.48 1z0hA1 ALA 1013 H 0.01 0.58 0.31 -0.55 8.40 8.75 1z0hA1 ALA 1013 HA -0.04 0.32 1.02 -0.75 4.34 4.88 1z0hA1 ALA 1013 HB3 0.16 -0.00 0.03 -0.04 1.41 1.56 1z0hA1 LYS 1014 H -0.16 0.61 0.32 -0.55 8.42 8.63 1z0hA1 LYS 1014 HA -0.18 0.26 1.16 -0.75 4.32 4.81 1z0hA1 LYS 1014 HB2 -0.08 -0.08 0.06 -0.04 1.87 1.74 1z0hA1 LYS 1014 HB3 -0.43 0.06 0.05 -0.04 1.79 1.43 1z0hA1 LYS 1014 HG2 -0.15 0.02 -0.12 -0.04 1.46 1.18 1z0hA1 LYS 1014 HG3 -0.09 -0.03 -0.27 -0.04 1.46 1.03 1z0hA1 LYS 1014 HD2 0.00 -0.01 -0.08 -0.04 1.69 1.56 1z0hA1 LYS 1014 HD3 -0.24 0.02 -0.06 -0.04 1.68 1.36 1z0hA1 LYS 1014 HE2 -0.05 -0.01 -0.07 -0.04 2.99 2.82 1z0hA1 LYS 1014 HE3 -0.08 0.00 -0.10 -0.04 2.99 2.77 1z0hA1 ILE 1015 H -0.26 0.54 0.30 -0.55 8.25 8.28 1z0hA1 ILE 1015 HA -0.23 0.28 1.10 -0.75 4.18 4.58 1z0hA1 ILE 1015 HB -0.13 -0.08 0.07 -0.04 1.89 1.70 1z0hA1 ILE 1015 HG12 -0.14 0.06 -0.11 -0.04 1.49 1.26 1z0hA1 ILE 1015 HG13 -0.08 -0.07 -0.34 -0.04 1.21 0.68 1z0hA1 ILE 1015 HG23 -0.15 -0.00 -0.23 -0.04 0.93 0.50 1z0hA1 ILE 1015 HD13 0.13 0.02 -0.30 -0.04 0.88 0.69 1z0hA1 TYR 1016 H -0.12 0.98 0.41 -0.55 8.29 9.01 1z0hA1 TYR 1016 HA -0.28 0.14 0.96 -0.75 4.56 4.63 1z0hA1 TYR 1016 HB2 -0.38 0.00 0.03 -0.04 3.06 2.67 1z0hA1 TYR 1016 HB3 -0.30 -0.05 -0.34 -0.04 2.98 2.24 1z0hA1 TYR 1016 HD2 -0.24 0.10 -0.36 -0.04 7.15 6.61 1z0hA1 TYR 1016 HE2 -0.17 -0.03 -0.10 -0.04 6.85 6.51 1z0hA1 ILE 1017 H -0.28 0.76 0.25 -0.55 8.25 8.44 1z0hA1 ILE 1017 HA -0.38 0.38 1.16 -0.75 4.18 4.58 1z0hA1 ILE 1017 HB -0.57 0.00 0.11 -0.04 1.89 1.39 1z0hA1 ILE 1017 HG12 -0.83 -0.10 -0.30 -0.04 1.49 0.22 1z0hA1 ILE 1017 HG13 -2.63 -0.01 -0.09 -0.04 1.21 -1.56 1z0hA1 ILE 1017 HG23 -0.38 0.01 -0.11 -0.04 0.93 0.41 1z0hA1 ILE 1017 HD13 -0.37 0.07 -0.07 -0.04 0.88 0.47 1z0hA1 ASN 1018 H -0.31 0.73 0.27 -0.55 8.53 8.67 1z0hA1 ASN 1018 HA -0.74 0.01 0.37 -0.75 4.76 3.65 1z0hA1 ASN 1018 HB2 -0.21 0.11 -0.11 -0.04 2.88 2.63 1z0hA1 ASN 1018 HB3 -0.49 0.04 0.24 -0.04 2.79 2.54 1z0hA1 ASN 1018 HD21 0.10 0.12 0.04 -0.04 7.03 7.25 1z0hA1 ASN 1018 HD22 -0.02 -0.01 -0.02 -0.04 7.74 7.65 1z0hA1 GLY 1019 H -0.28 0.09 -0.39 -0.55 8.43 7.30 1z0hA1 GLY 1019 HA2 -0.11 -0.05 0.05 -0.51 4.01 3.39 1z0hA1 GLY 1019 HA3 -0.18 0.14 0.39 -0.51 4.01 3.85 1z0hA1 LYS 1020 H -0.17 0.49 -0.56 -0.55 8.42 7.63 1z0hA1 LYS 1020 HA 0.00 0.12 0.97 -0.75 4.32 4.66 1z0hA1 LYS 1020 HB2 -0.07 0.03 -0.08 -0.04 1.87 1.72 1z0hA1 LYS 1020 HB3 -0.10 0.13 0.05 -0.04 1.79 1.82 1z0hA1 LYS 1020 HG2 -0.08 0.15 -0.19 -0.04 1.46 1.29 1z0hA1 LYS 1020 HG3 -0.04 -0.06 0.04 -0.04 1.46 1.35 1z0hA1 LYS 1020 HD2 -0.03 -0.02 -0.01 -0.04 1.69 1.59 1z0hA1 LYS 1020 HD3 -0.04 -0.00 -0.05 -0.04 1.68 1.54 1z0hA1 LYS 1020 HE2 -0.05 0.14 0.01 -0.04 2.99 3.06 1z0hA1 LYS 1020 HE3 -0.03 -0.05 0.01 -0.04 2.99 2.88 1z0hA1 LEU 1021 H -0.08 0.12 0.14 -0.55 8.37 8.00 1z0hA1 LEU 1021 HA -0.68 0.05 0.54 -0.75 4.35 3.51 1z0hA1 LEU 1021 HB2 -0.46 -0.05 0.09 -0.04 1.64 1.18 1z0hA1 LEU 1021 HB3 -0.21 0.00 0.14 -0.04 1.64 1.53 1z0hA1 LEU 1021 HG -0.29 0.04 -0.31 -0.04 1.64 1.04 1z0hA1 LEU 1021 HD13 -0.76 0.03 0.01 -0.04 0.93 0.17 1z0hA1 LEU 1021 HD23 -0.21 -0.01 -0.06 -0.04 0.89 0.56 1z0hA1 GLU 1022 H -0.34 0.53 0.53 -0.55 8.60 8.77 1z0hA1 GLU 1022 HA -0.11 0.20 1.06 -0.75 4.29 4.69 1z0hA1 GLU 1022 HB2 -0.22 0.02 0.10 -0.04 2.09 1.94 1z0hA1 GLU 1022 HB3 0.08 -0.03 0.05 -0.04 1.99 2.05 1z0hA1 GLU 1022 HG2 -0.25 0.08 -0.13 -0.04 2.34 2.00 1z0hA1 GLU 1022 HG3 -0.52 -0.04 -0.01 -0.04 2.34 1.73 1z0hA1 SER 1023 H -0.24 0.34 0.42 -0.55 8.46 8.43 1z0hA1 SER 1023 HA -0.16 0.21 0.96 -0.75 4.49 4.75 1z0hA1 SER 1023 HB2 -0.14 -0.13 0.01 -0.04 3.95 3.65 1z0hA1 SER 1023 HB3 -0.23 -0.03 0.17 -0.04 3.93 3.79 1z0hA1 ASN 1024 H -0.15 0.30 0.23 -0.55 8.53 8.36 1z0hA1 ASN 1024 HA -0.12 0.28 0.89 -0.75 4.76 5.05 1z0hA1 ASN 1024 HB2 -0.15 0.03 -0.23 -0.04 2.88 2.48 1z0hA1 ASN 1024 HB3 -0.10 -0.01 0.02 -0.04 2.79 2.66 1z0hA1 ASN 1024 HD21 -0.07 -0.05 -0.12 -0.04 7.03 6.75 1z0hA1 ASN 1024 HD22 -0.12 0.00 -0.09 -0.04 7.74 7.49 1z0hA1 THR 1025 H -0.04 0.62 0.35 -0.55 8.28 8.67 1z0hA1 THR 1025 HA -0.03 0.18 1.09 -0.75 4.39 4.88 1z0hA1 THR 1025 HB 0.05 -0.05 0.03 -0.04 4.32 4.30 1z0hA1 THR 1025 HG23 0.04 0.02 -0.16 -0.04 1.22 1.07 1z0hA1 ASP 1026 H -0.00 0.17 0.20 -0.55 8.40 8.21 1z0hA1 ASP 1026 HA 0.01 0.15 0.70 -0.75 4.63 4.74 1z0hA1 ASP 1026 HB2 -0.00 0.01 0.16 -0.04 2.71 2.84 1z0hA1 ASP 1026 HB3 0.01 0.01 0.25 -0.04 2.70 2.93 1z0hA1 ILE 1027 H 0.03 0.84 0.34 -0.55 8.25 8.92 1z0hA1 ILE 1027 HA 0.05 0.18 0.91 -0.75 4.18 4.57 1z0hA1 ILE 1027 HB 0.09 0.01 0.05 -0.04 1.89 1.99 1z0hA1 ILE 1027 HG12 0.05 -0.08 -0.53 -0.04 1.49 0.88 1z0hA1 ILE 1027 HG13 0.07 0.13 -0.61 -0.04 1.21 0.75 1z0hA1 ILE 1027 HG23 0.09 0.02 -0.27 -0.04 0.93 0.74 1z0hA1 ILE 1027 HD13 0.12 0.04 -0.24 -0.04 0.88 0.76 1z0hA1 LYS 1028 H 0.03 0.08 0.07 -0.55 8.42 8.05 1z0hA1 LYS 1028 HA 0.04 0.33 0.55 -0.75 4.32 4.48 1z0hA1 LYS 1028 HB2 0.02 -0.06 0.11 -0.04 1.87 1.90 1z0hA1 LYS 1028 HB3 0.02 0.02 0.02 -0.04 1.79 1.81 1z0hA1 LYS 1028 HG2 0.02 0.02 0.10 -0.04 1.46 1.56 1z0hA1 LYS 1028 HG3 0.02 0.00 0.20 -0.04 1.46 1.64 1z0hA1 LYS 1028 HD2 0.01 -0.00 0.04 -0.04 1.69 1.69 1z0hA1 LYS 1028 HD3 0.01 0.02 0.02 -0.04 1.68 1.69 1z0hA1 LYS 1028 HE2 0.01 -0.03 -0.00 -0.04 2.99 2.93 1z0hA1 LYS 1028 HE3 0.01 -0.02 0.01 -0.04 2.99 2.95 1z0hA1 ASP 1029 H 0.03 0.02 -0.35 -0.55 8.40 7.55 1z0hA1 ASP 1029 HA 0.03 0.10 0.46 -0.75 4.63 4.47 1z0hA1 ASP 1029 HB2 0.03 0.03 -0.04 -0.04 2.71 2.69 1z0hA1 ASP 1029 HB3 0.02 -0.01 0.09 -0.04 2.70 2.77 1z0hA1 ILE 1030 H 0.05 0.57 -0.40 -0.55 8.25 7.91 1z0hA1 ILE 1030 HA 0.04 -0.01 0.64 -0.75 4.18 4.09 1z0hA1 ILE 1030 HB 0.06 -0.08 -0.03 -0.04 1.89 1.79 1z0hA1 ILE 1030 HG12 0.06 0.02 -0.13 -0.04 1.49 1.40 1z0hA1 ILE 1030 HG13 0.04 -0.06 -0.11 -0.04 1.21 1.05 1z0hA1 ILE 1030 HG23 0.09 0.17 -0.07 -0.04 0.93 1.08 1z0hA1 ILE 1030 HD13 0.07 -0.01 -0.24 -0.04 0.88 0.66 1z0hA1 ARG 1031 H 0.04 -0.04 0.09 -0.55 8.46 8.00 1z0hA1 ARG 1031 HA 0.05 0.30 0.79 -0.75 4.34 4.72 1z0hA1 ARG 1031 HB2 0.03 -0.09 0.18 -0.04 1.90 1.97 1z0hA1 ARG 1031 HB3 0.03 -0.26 0.27 -0.04 1.80 1.80 1z0hA1 ARG 1031 HG2 0.03 0.06 -0.05 -0.04 1.67 1.67 1z0hA1 ARG 1031 HG3 0.02 -0.02 0.03 -0.04 1.67 1.67 1z0hA1 ARG 1031 HD2 0.03 -0.06 0.01 -0.04 3.22 3.16 1z0hA1 ARG 1031 HD3 0.04 0.19 -0.14 -0.04 3.22 3.26 1z0hA1 GLU 1032 H 0.04 0.07 0.16 -0.55 8.60 8.32 1z0hA1 GLU 1032 HA 0.06 0.20 0.51 -0.75 4.29 4.32 1z0hA1 GLU 1032 HB2 0.03 0.03 -0.07 -0.04 2.09 2.04 1z0hA1 GLU 1032 HB3 0.04 0.06 0.08 -0.04 1.99 2.12 1z0hA1 GLU 1032 HG2 0.02 -0.14 0.14 -0.04 2.34 2.33 1z0hA1 GLU 1032 HG3 0.02 0.05 0.00 -0.04 2.34 2.37 1z0hA1 VAL 1033 H 0.07 0.25 0.18 -0.55 8.24 8.19 1z0hA1 VAL 1033 HA 0.04 0.14 0.95 -0.75 4.13 4.50 1z0hA1 VAL 1033 HB 0.13 -0.02 0.06 -0.04 2.12 2.25 1z0hA1 VAL 1033 HG13 0.13 0.03 -0.19 -0.04 0.97 0.90 1z0hA1 VAL 1033 HG23 0.13 0.06 -0.27 -0.04 0.95 0.82 1z0hA1 ILE 1034 H -0.01 0.17 0.03 -0.55 8.25 7.89 1z0hA1 ILE 1034 HA -0.06 0.14 0.49 -0.75 4.18 4.00 1z0hA1 ILE 1034 HB -0.06 0.11 0.07 -0.04 1.89 1.97 1z0hA1 ILE 1034 HG12 -0.02 -0.06 0.03 -0.04 1.49 1.40 1z0hA1 ILE 1034 HG13 -0.03 0.19 0.04 -0.04 1.21 1.37 1z0hA1 ILE 1034 HG23 -0.07 -0.04 -0.07 -0.04 0.93 0.71 1z0hA1 ILE 1034 HD13 -0.02 -0.01 -0.06 -0.04 0.88 0.74 1z0hA1 ALA 1035 H -0.18 0.53 0.29 -0.55 8.40 8.49 1z0hA1 ALA 1035 HA -0.10 0.26 0.92 -0.75 4.34 4.67 1z0hA1 ALA 1035 HB3 -0.86 -0.00 -0.14 -0.04 1.41 0.36 1z0hA1 ASN 1036 H -0.13 0.00 -0.03 -0.55 8.53 7.83 1z0hA1 ASN 1036 HA -0.07 0.30 0.93 -0.75 4.76 5.16 1z0hA1 ASN 1036 HB2 -0.04 0.20 0.10 -0.04 2.88 3.09 1z0hA1 ASN 1036 HB3 -0.10 -0.07 -0.02 -0.04 2.79 2.56 1z0hA1 ASN 1036 HD21 -0.05 -0.03 0.02 -0.04 7.03 6.93 1z0hA1 ASN 1036 HD22 -0.09 0.00 0.07 -0.04 7.74 7.68 1z0hA1 GLY 1037 H -0.10 0.09 -0.53 -0.55 8.43 7.35 1z0hA1 GLY 1037 HA2 -0.06 0.03 0.37 -0.51 4.01 3.84 1z0hA1 GLY 1037 HA3 -0.11 0.05 -0.04 -0.51 4.01 3.39 1z0hA1 GLU 1038 H -0.06 0.07 0.19 -0.55 8.60 8.25 1z0hA1 GLU 1038 HA -0.00 0.16 0.65 -0.75 4.29 4.34 1z0hA1 GLU 1038 HB2 -0.05 -0.04 0.07 -0.04 2.09 2.04 1z0hA1 GLU 1038 HB3 -0.00 0.03 0.03 -0.04 1.99 2.01 1z0hA1 GLU 1038 HG2 -0.00 0.00 0.07 -0.04 2.34 2.37 1z0hA1 GLU 1038 HG3 -0.03 -0.05 0.14 -0.04 2.34 2.36 1z0hA1 ILE 1039 H 0.04 0.60 0.36 -0.55 8.25 8.70 1z0hA1 ILE 1039 HA -0.22 0.28 0.98 -0.75 4.18 4.46 1z0hA1 ILE 1039 HB 0.20 -0.10 0.15 -0.04 1.89 2.09 1z0hA1 ILE 1039 HG12 0.04 0.05 -0.19 -0.04 1.49 1.35 1z0hA1 ILE 1039 HG13 0.11 0.07 -0.07 -0.04 1.21 1.29 1z0hA1 ILE 1039 HG23 -0.20 -0.01 -0.22 -0.04 0.93 0.46 1z0hA1 ILE 1039 HD13 0.45 -0.02 -0.11 -0.04 0.88 1.15 1z0hA1 ILE 1040 H -0.20 0.75 0.30 -0.55 8.25 8.55 1z0hA1 ILE 1040 HA 0.06 0.29 1.08 -0.75 4.18 4.85 1z0hA1 ILE 1040 HB -0.10 -0.05 0.16 -0.04 1.89 1.85 1z0hA1 ILE 1040 HG12 -0.09 0.09 -0.10 -0.04 1.49 1.34 1z0hA1 ILE 1040 HG13 -0.07 -0.03 -0.04 -0.04 1.21 1.03 1z0hA1 ILE 1040 HG23 -0.03 -0.00 -0.23 -0.04 0.93 0.63 1z0hA1 ILE 1040 HD13 -0.01 -0.00 -0.15 -0.04 0.88 0.68 1z0hA1 PHE 1041 H 0.33 0.80 0.41 -0.55 8.34 9.32 1z0hA1 PHE 1041 HA -0.02 0.24 0.95 -0.75 4.62 5.04 1z0hA1 PHE 1041 HB2 -0.06 -0.14 0.26 -0.04 3.15 3.17 1z0hA1 PHE 1041 HB3 0.03 0.03 0.01 -0.04 3.06 3.09 1z0hA1 PHE 1041 HD2 -0.01 0.13 -0.09 -0.04 7.28 7.28 1z0hA1 PHE 1041 HE2 -0.41 -0.01 -0.14 -0.04 7.38 6.78 1z0hA1 PHE 1041 HZ -0.94 -0.03 -0.15 -0.04 7.32 6.15 1z0hA1 LYS 1042 H 0.06 0.75 0.17 -0.55 8.42 8.84 1z0hA1 LYS 1042 HA 0.07 0.10 0.49 -0.75 4.32 4.23 1z0hA1 LYS 1042 HB2 0.01 0.05 -0.01 -0.04 1.87 1.88 1z0hA1 LYS 1042 HB3 -0.00 -0.10 -0.25 -0.04 1.79 1.39 1z0hA1 LYS 1042 HG2 0.00 0.17 -0.29 -0.04 1.46 1.30 1z0hA1 LYS 1042 HG3 -0.01 0.21 0.06 -0.04 1.46 1.69 1z0hA1 LYS 1042 HD2 -0.08 -0.07 -0.10 -0.04 1.69 1.41 1z0hA1 LYS 1042 HD3 -0.04 -0.10 -0.14 -0.04 1.68 1.35 1z0hA1 LYS 1042 HE2 -0.06 0.13 0.02 -0.04 2.99 3.04 1z0hA1 LYS 1042 HE3 -0.07 -0.11 -0.01 -0.04 2.99 2.76 1z0hA1 LEU 1043 H 0.06 0.22 0.12 -0.55 8.37 8.23 1z0hA1 LEU 1043 HA 0.17 0.20 0.57 -0.75 4.35 4.54 1z0hA1 LEU 1043 HB2 0.03 0.07 0.03 -0.04 1.64 1.73 1z0hA1 LEU 1043 HB3 0.06 -0.06 -0.12 -0.04 1.64 1.48 1z0hA1 LEU 1043 HG 0.08 0.00 -0.11 -0.04 1.64 1.57 1z0hA1 LEU 1043 HD13 0.01 -0.00 -0.42 -0.04 0.93 0.48 1z0hA1 LEU 1043 HD23 0.22 -0.01 -0.15 -0.04 0.89 0.90 1z0hA1 ASP 1044 H 0.14 0.59 0.25 -0.55 8.40 8.83 1z0hA1 ASP 1044 HA 0.03 0.17 0.99 -0.75 4.63 5.06 1z0hA1 ASP 1044 HB2 0.01 0.12 -0.26 -0.04 2.71 2.54 1z0hA1 ASP 1044 HB3 0.02 -0.13 0.13 -0.04 2.70 2.67 1z0hA1 GLY 1045 H 0.02 0.35 0.17 -0.55 8.43 8.43 1z0hA1 GLY 1045 HA2 0.03 0.03 0.33 -0.51 4.01 3.89 1z0hA1 GLY 1045 HA3 0.08 0.21 0.59 -0.51 4.01 4.39 1z0hA1 ASP 1046 H 0.02 0.24 0.05 -0.55 8.40 8.16 1z0hA1 ASP 1046 HA -0.02 0.10 0.59 -0.75 4.63 4.55 1z0hA1 ASP 1046 HB2 -0.00 -0.01 0.10 -0.04 2.71 2.76 1z0hA1 ASP 1046 HB3 0.00 0.01 0.21 -0.04 2.70 2.88 1z0hA1 ILE 1047 H -0.06 0.37 0.07 -0.55 8.25 8.09 1z0hA1 ILE 1047 HA -0.12 0.20 0.93 -0.75 4.18 4.43 1z0hA1 ILE 1047 HB -0.30 -0.03 -0.04 -0.04 1.89 1.48 1z0hA1 ILE 1047 HG12 -0.09 0.09 -0.04 -0.04 1.49 1.41 1z0hA1 ILE 1047 HG13 -0.10 0.01 -0.28 -0.04 1.21 0.80 1z0hA1 ILE 1047 HG23 -0.40 0.01 -0.43 -0.04 0.93 0.07 1z0hA1 ILE 1047 HD13 -0.13 0.00 -0.18 -0.04 0.88 0.54 1z0hA1 ASP 1048 H -0.10 0.13 0.12 -0.55 8.40 8.00 1z0hA1 ASP 1048 HA -0.03 0.06 0.43 -0.75 4.63 4.33 1z0hA1 ASP 1048 HB2 -0.03 0.06 0.13 -0.04 2.71 2.82 1z0hA1 ASP 1048 HB3 -0.05 0.02 0.10 -0.04 2.70 2.72 1z0hA1 ARG 1049 H -0.02 0.13 0.19 -0.55 8.46 8.21 1z0hA1 ARG 1049 HA -0.02 0.17 0.41 -0.75 4.34 4.14 1z0hA1 ARG 1049 HB2 -0.01 0.03 0.15 -0.04 1.90 2.03 1z0hA1 ARG 1049 HB3 -0.00 -0.04 0.08 -0.04 1.80 1.80 1z0hA1 ARG 1049 HG2 0.00 0.01 0.03 -0.04 1.67 1.67 1z0hA1 ARG 1049 HG3 -0.01 0.02 0.10 -0.04 1.67 1.75 1z0hA1 ARG 1049 HD2 0.00 -0.01 -0.01 -0.04 3.22 3.16 1z0hA1 ARG 1049 HD3 -0.00 -0.00 0.01 -0.04 3.22 3.18 1z0hA1 THR 1050 H -0.01 -0.08 -0.56 -0.55 8.28 7.08 1z0hA1 THR 1050 HA 0.05 0.21 0.75 -0.75 4.39 4.65 1z0hA1 THR 1050 HB 0.07 0.05 0.07 -0.04 4.32 4.47 1z0hA1 THR 1050 HG23 0.02 -0.02 -0.08 -0.04 1.22 1.10 1z0hA1 GLN 1051 H -0.04 0.38 -0.26 -0.55 8.47 8.00 1z0hA1 GLN 1051 HA -0.14 0.03 0.40 -0.75 4.36 3.89 1z0hA1 GLN 1051 HB2 -0.17 -0.16 0.08 -0.04 2.15 1.86 1z0hA1 GLN 1051 HB3 -0.16 0.07 -0.02 -0.04 2.02 1.87 1z0hA1 GLN 1051 HG2 -0.60 -0.02 -0.12 -0.04 2.40 1.61 1z0hA1 GLN 1051 HG3 -0.19 0.08 -0.25 -0.04 2.39 1.99 1z0hA1 GLN 1051 HE21 -0.05 0.05 0.03 -0.04 6.97 6.96 1z0hA1 GLN 1051 HE22 -0.14 0.18 0.09 -0.04 7.69 7.77 1z0hA1 PHE 1052 H -0.36 0.25 0.25 -0.55 8.34 7.93 1z0hA1 PHE 1052 HA -0.06 0.24 0.68 -0.75 4.62 4.72 1z0hA1 PHE 1052 HB2 -0.20 0.04 0.09 -0.04 3.15 3.04 1z0hA1 PHE 1052 HB3 -0.08 0.04 -0.17 -0.04 3.06 2.80 1z0hA1 PHE 1052 HD2 -0.08 0.13 -0.28 -0.04 7.28 7.01 1z0hA1 PHE 1052 HE2 0.18 0.00 -0.14 -0.04 7.38 7.38 1z0hA1 PHE 1052 HZ 0.05 -0.14 -0.15 -0.04 7.32 7.04 1z0hA1 ILE 1053 H 0.09 0.59 0.37 -0.55 8.25 8.75 1z0hA1 ILE 1053 HA 0.11 0.24 0.93 -0.75 4.18 4.71 1z0hA1 ILE 1053 HB 0.12 -0.07 0.05 -0.04 1.89 1.95 1z0hA1 ILE 1053 HG12 0.15 -0.08 -0.58 -0.04 1.49 0.94 1z0hA1 ILE 1053 HG13 0.23 -0.03 -0.14 -0.04 1.21 1.23 1z0hA1 ILE 1053 HG23 0.12 -0.00 -0.14 -0.04 0.93 0.87 1z0hA1 ILE 1053 HD13 0.17 0.03 0.04 -0.04 0.88 1.08 1z0hA1 TRP 1054 H 0.18 0.46 0.31 -0.55 7.97 8.38 1z0hA1 TRP 1054 HA 0.04 0.29 1.08 -0.75 4.62 5.28 1z0hA1 TRP 1054 HB2 -0.54 0.01 0.12 -0.04 3.23 2.78 1z0hA1 TRP 1054 HB3 -0.14 0.02 -0.07 -0.04 3.23 2.99 1z0hA1 TRP 1054 HD1 0.17 0.05 -0.14 -0.04 7.22 7.26 1z0hA1 TRP 1054 HE1 -0.29 -0.04 -0.12 -0.04 10.20 9.71 1z0hA1 TRP 1054 HE3 0.24 0.06 -0.29 -0.04 7.59 7.55 1z0hA1 TRP 1054 HZ2 -0.11 -0.03 -0.09 -0.04 7.44 7.16 1z0hA1 TRP 1054 HZ3 0.10 0.07 -0.40 -0.04 7.13 6.86 1z0hA1 TRP 1054 HH2 0.01 -0.03 -0.15 -0.04 7.19 6.98 1z0hA1 MET 1055 H -0.01 0.69 0.39 -0.55 8.47 9.00 1z0hA1 MET 1055 HA 0.45 0.28 0.89 -0.75 4.52 5.39 1z0hA1 MET 1055 HB2 -0.68 -0.03 -0.03 -0.04 2.15 1.37 1z0hA1 MET 1055 HB3 -0.06 -0.03 0.01 -0.04 2.03 1.92 1z0hA1 MET 1055 HG2 0.29 0.13 0.12 -0.04 2.63 3.13 1z0hA1 MET 1055 HG3 0.12 -0.05 -0.37 -0.04 2.56 2.23 1z0hA1 MET 1055 HE3 0.31 0.00 -0.08 -0.04 2.10 2.30 1z0hA1 LYS 1056 H 0.47 0.49 0.30 -0.55 8.42 9.14 1z0hA1 LYS 1056 HA 0.08 0.22 0.85 -0.75 4.32 4.72 1z0hA1 LYS 1056 HB2 -0.32 0.01 -0.32 -0.04 1.87 1.20 1z0hA1 LYS 1056 HB3 -0.25 -0.06 -0.09 -0.04 1.79 1.35 1z0hA1 LYS 1056 HG2 -1.26 -0.02 -0.16 -0.04 1.46 -0.02 1z0hA1 LYS 1056 HG3 -0.67 0.10 -0.04 -0.04 1.46 0.81 1z0hA1 LYS 1056 HD2 -0.98 -0.06 -0.15 -0.04 1.69 0.46 1z0hA1 LYS 1056 HD3 -1.22 -0.04 -0.11 -0.04 1.68 0.27 1z0hA1 LYS 1056 HE2 -1.44 -0.02 -0.02 -0.04 2.99 1.47 1z0hA1 LYS 1056 HE3 -0.81 0.20 0.07 -0.04 2.99 2.41 1z0hA1 TYR 1057 H 0.23 0.25 0.23 -0.55 8.29 8.45 1z0hA1 TYR 1057 HA 0.29 0.13 0.40 -0.75 4.56 4.62 1z0hA1 TYR 1057 HB2 0.51 0.08 -0.06 -0.04 3.06 3.55 1z0hA1 TYR 1057 HB3 0.34 -0.02 0.17 -0.04 2.98 3.43 1z0hA1 TYR 1057 HD2 0.04 0.01 0.04 -0.04 7.15 7.20 1z0hA1 TYR 1057 HE2 -0.17 0.08 0.05 -0.04 6.85 6.77 1z0hA1 PHE 1058 H 0.66 0.03 -0.06 -0.55 8.34 8.43 1z0hA1 PHE 1058 HA 0.52 0.32 0.68 -0.75 4.62 5.38 1z0hA1 PHE 1058 HB2 0.57 -0.02 0.02 -0.04 3.15 3.68 1z0hA1 PHE 1058 HB3 0.43 -0.10 0.08 -0.04 3.06 3.42 1z0hA1 PHE 1058 HD2 0.33 -0.06 -0.18 -0.04 7.28 7.32 1z0hA1 PHE 1058 HE2 0.23 -0.04 -0.16 -0.04 7.38 7.37 1z0hA1 PHE 1058 HZ 0.40 -0.02 -0.14 -0.04 7.32 7.52 1z0hA1 SER 1059 H -0.24 0.69 0.51 -0.55 8.46 8.87 1z0hA1 SER 1059 HA 0.05 0.09 0.82 -0.75 4.49 4.70 1z0hA1 SER 1059 HB2 -0.17 -0.01 0.09 -0.04 3.95 3.83 1z0hA1 SER 1059 HB3 0.08 -0.05 0.09 -0.04 3.93 4.02 1z0hA1 ILE 1060 H -0.14 0.49 0.44 -0.55 8.25 8.49 1z0hA1 ILE 1060 HA 0.01 0.35 1.22 -0.75 4.18 5.01 1z0hA1 ILE 1060 HB 0.15 -0.12 0.07 -0.04 1.89 1.95 1z0hA1 ILE 1060 HG12 0.06 0.08 -0.07 -0.04 1.49 1.52 1z0hA1 ILE 1060 HG13 0.15 -0.12 -0.37 -0.04 1.21 0.84 1z0hA1 ILE 1060 HG23 0.23 0.03 -0.03 -0.04 0.93 1.12 1z0hA1 ILE 1060 HD13 0.69 0.00 -0.11 -0.04 0.88 1.42 1z0hA1 PHE 1061 H 0.15 0.70 0.50 -0.55 8.34 9.14 1z0hA1 PHE 1061 HA -0.00 0.25 1.10 -0.75 4.62 5.21 1z0hA1 PHE 1061 HB2 -0.12 -0.08 0.12 -0.04 3.15 3.02 1z0hA1 PHE 1061 HB3 -0.06 0.02 0.01 -0.04 3.06 2.99 1z0hA1 PHE 1061 HD2 -0.06 0.08 -0.35 -0.04 7.28 6.91 1z0hA1 PHE 1061 HE2 -0.02 0.09 -0.21 -0.04 7.38 7.21 1z0hA1 PHE 1061 HZ 0.02 0.06 -0.06 -0.04 7.32 7.30 1z0hA1 ASN 1062 H 0.06 0.52 0.22 -0.55 8.53 8.79 1z0hA1 ASN 1062 HA -0.31 0.17 1.03 -0.75 4.76 4.90 1z0hA1 ASN 1062 HB2 0.15 -0.01 0.26 -0.04 2.88 3.24 1z0hA1 ASN 1062 HB3 0.17 -0.02 0.08 -0.04 2.79 2.97 1z0hA1 ASN 1062 HD21 0.04 -0.02 0.02 -0.04 7.03 7.03 1z0hA1 ASN 1062 HD22 0.08 -0.00 0.04 -0.04 7.74 7.82 1z0hA1 THR 1063 H 0.02 0.16 -0.54 -0.55 8.28 7.37 1z0hA1 THR 1063 HA -0.00 0.16 0.54 -0.75 4.39 4.33 1z0hA1 THR 1063 HB 0.03 0.06 -0.17 -0.04 4.32 4.20 1z0hA1 THR 1063 HG23 0.02 -0.02 -0.30 -0.04 1.22 0.88 1z0hA1 GLU 1064 H -0.05 0.17 -0.00 -0.55 8.60 8.17 1z0hA1 GLU 1064 HA -0.15 0.14 0.69 -0.75 4.29 4.21 1z0hA1 GLU 1064 HB2 -0.06 0.07 0.02 -0.04 2.09 2.08 1z0hA1 GLU 1064 HB3 -0.06 -0.05 0.12 -0.04 1.99 1.96 1z0hA1 GLU 1064 HG2 -0.12 0.14 -0.25 -0.04 2.34 2.07 1z0hA1 GLU 1064 HG3 -0.10 -0.02 -0.23 -0.04 2.34 1.95 1z0hA1 LEU 1065 H -0.25 0.19 -0.06 -0.55 8.37 7.71 1z0hA1 LEU 1065 HA -0.22 0.02 0.27 -0.75 4.35 3.66 1z0hA1 LEU 1065 HB2 -0.41 -0.02 -0.06 -0.04 1.64 1.11 1z0hA1 LEU 1065 HB3 -0.38 0.02 -0.11 -0.04 1.64 1.13 1z0hA1 LEU 1065 HG -0.42 0.01 -0.08 -0.04 1.64 1.11 1z0hA1 LEU 1065 HD13 -0.97 0.02 -0.16 -0.04 0.93 -0.22 1z0hA1 LEU 1065 HD23 -0.51 0.01 -0.17 -0.04 0.89 0.18 1z0hA1 SER 1066 H -0.18 0.09 0.13 -0.55 8.46 7.96 1z0hA1 SER 1066 HA -0.13 0.19 0.56 -0.75 4.49 4.37 1z0hA1 SER 1066 HB2 -0.08 -0.01 0.13 -0.04 3.95 3.95 1z0hA1 SER 1066 HB3 -0.09 0.15 0.11 -0.04 3.93 4.06 1z0hA1 GLN 1067 H -0.09 0.22 0.14 -0.55 8.47 8.19 1z0hA1 GLN 1067 HA -0.39 0.12 0.34 -0.75 4.36 3.68 1z0hA1 GLN 1067 HB2 0.12 0.04 0.11 -0.04 2.15 2.38 1z0hA1 GLN 1067 HB3 -0.01 -0.04 0.12 -0.04 2.02 2.05 1z0hA1 GLN 1067 HG2 0.09 0.11 0.06 -0.04 2.40 2.61 1z0hA1 GLN 1067 HG3 0.09 -0.01 0.04 -0.04 2.39 2.48 1z0hA1 GLN 1067 HE21 -0.01 -0.04 -0.02 -0.04 6.97 6.86 1z0hA1 GLN 1067 HE22 -0.01 0.61 0.16 -0.04 7.69 8.41 1z0hA1 SER 1068 H -0.08 0.06 -0.16 -0.55 8.46 7.73 1z0hA1 SER 1068 HA -0.05 0.14 0.37 -0.75 4.49 4.20 1z0hA1 SER 1068 HB2 -0.04 0.03 0.08 -0.04 3.95 3.98 1z0hA1 SER 1068 HB3 -0.06 -0.06 0.02 -0.04 3.93 3.78 1z0hA1 ASN 1069 H -0.13 0.04 -0.37 -0.55 8.53 7.53 1z0hA1 ASN 1069 HA -0.10 0.08 0.42 -0.75 4.76 4.41 1z0hA1 ASN 1069 HB2 -0.13 -0.03 0.04 -0.04 2.88 2.72 1z0hA1 ASN 1069 HB3 -0.19 0.06 0.08 -0.04 2.79 2.69 1z0hA1 ASN 1069 HD21 -0.11 0.12 -0.11 -0.04 7.03 6.89 1z0hA1 ASN 1069 HD22 -0.10 -0.04 -0.08 -0.04 7.74 7.48 1z0hA1 ILE 1070 H -0.22 0.45 -0.23 -0.55 8.25 7.70 1z0hA1 ILE 1070 HA -0.11 0.06 0.35 -0.75 4.18 3.74 1z0hA1 ILE 1070 HB -0.37 0.10 0.06 -0.04 1.89 1.65 1z0hA1 ILE 1070 HG12 -0.43 -0.01 -0.15 -0.04 1.49 0.86 1z0hA1 ILE 1070 HG13 -0.44 0.24 -0.22 -0.04 1.21 0.75 1z0hA1 ILE 1070 HG23 -0.25 -0.01 -0.18 -0.04 0.93 0.45 1z0hA1 ILE 1070 HD13 -1.13 -0.02 -0.26 -0.04 0.88 -0.56 1z0hA1 GLU 1071 H -0.07 0.59 -0.15 -0.55 8.60 8.43 1z0hA1 GLU 1071 HA 0.10 0.03 0.40 -0.75 4.29 4.06 1z0hA1 GLU 1071 HB2 -0.00 0.08 0.12 -0.04 2.09 2.25 1z0hA1 GLU 1071 HB3 -0.01 0.07 0.14 -0.04 1.99 2.16 1z0hA1 GLU 1071 HG2 0.03 -0.03 -0.03 -0.04 2.34 2.27 1z0hA1 GLU 1071 HG3 0.06 -0.02 -0.20 -0.04 2.34 2.14 1z0hA1 GLU 1072 H -0.03 0.36 -0.25 -0.55 8.60 8.14 1z0hA1 GLU 1072 HA -0.01 0.06 0.45 -0.75 4.29 4.04 1z0hA1 GLU 1072 HB2 -0.05 0.07 0.13 -0.04 2.09 2.20 1z0hA1 GLU 1072 HB3 -0.06 0.08 0.09 -0.04 1.99 2.05 1z0hA1 GLU 1072 HG2 -0.09 -0.04 -0.02 -0.04 2.34 2.14 1z0hA1 GLU 1072 HG3 -0.07 -0.01 -0.08 -0.04 2.34 2.13 1z0hA1 ARG 1073 H -0.02 0.46 -0.22 -0.55 8.46 8.13 1z0hA1 ARG 1073 HA -0.03 0.01 0.41 -0.75 4.34 3.97 1z0hA1 ARG 1073 HB2 -0.01 0.01 0.09 -0.04 1.90 1.95 1z0hA1 ARG 1073 HB3 0.08 0.08 0.12 -0.04 1.80 2.04 1z0hA1 ARG 1073 HG2 0.02 0.01 -0.21 -0.04 1.67 1.44 1z0hA1 ARG 1073 HG3 0.04 -0.02 0.01 -0.04 1.67 1.66 1z0hA1 ARG 1073 HD2 0.23 -0.05 -0.05 -0.04 3.22 3.31 1z0hA1 ARG 1073 HD3 0.27 0.03 -0.05 -0.04 3.22 3.43 1z0hA1 TYR 1074 H 0.09 0.52 -0.25 -0.55 8.29 8.10 1z0hA1 TYR 1074 HA -0.67 -0.00 0.30 -0.75 4.56 3.43 1z0hA1 TYR 1074 HB2 0.05 -0.05 -0.00 -0.04 3.06 3.01 1z0hA1 TYR 1074 HB3 -0.02 0.18 0.13 -0.04 2.98 3.23 1z0hA1 TYR 1074 HD2 -0.29 -0.01 -0.05 -0.04 7.15 6.76 1z0hA1 TYR 1074 HE2 0.02 -0.01 -0.00 -0.04 6.85 6.82 1z0hA1 LYS 1075 H 0.01 0.48 -0.21 -0.55 8.42 8.15 1z0hA1 LYS 1075 HA -0.20 0.04 0.41 -0.75 4.32 3.81 1z0hA1 LYS 1075 HB2 -0.03 0.07 0.20 -0.04 1.87 2.06 1z0hA1 LYS 1075 HB3 -0.06 -0.02 0.01 -0.04 1.79 1.68 1z0hA1 LYS 1075 HG2 -0.02 -0.01 0.07 -0.04 1.46 1.45 1z0hA1 LYS 1075 HG3 0.06 0.13 0.09 -0.04 1.46 1.69 1z0hA1 LYS 1075 HD2 0.01 -0.05 -0.06 -0.04 1.69 1.54 1z0hA1 LYS 1075 HD3 -0.02 -0.01 0.01 -0.04 1.68 1.62 1z0hA1 LYS 1075 HE2 0.05 -0.02 -0.01 -0.04 2.99 2.96 1z0hA1 LYS 1075 HE3 0.01 -0.06 -0.02 -0.04 2.99 2.88 1z0hA1 ILE 1076 H -0.06 0.59 -0.06 -0.55 8.25 8.17 1z0hA1 ILE 1076 HA -0.06 0.02 0.46 -0.75 4.18 3.84 1z0hA1 ILE 1076 HB -0.06 0.06 0.17 -0.04 1.89 2.02 1z0hA1 ILE 1076 HG12 -0.09 -0.03 0.05 -0.04 1.49 1.38 1z0hA1 ILE 1076 HG13 -0.07 0.10 0.08 -0.04 1.21 1.27 1z0hA1 ILE 1076 HG23 -0.07 -0.01 -0.14 -0.04 0.93 0.67 1z0hA1 ILE 1076 HD13 -0.08 -0.04 -0.01 -0.04 0.88 0.72 1z0hA1 GLN 1077 H -0.03 0.68 -0.11 -0.55 8.47 8.46 1z0hA1 GLN 1077 HA -0.08 0.10 0.63 -0.75 4.36 4.25 1z0hA1 GLN 1077 HB2 0.33 0.04 0.01 -0.04 2.15 2.49 1z0hA1 GLN 1077 HB3 0.12 -0.05 0.09 -0.04 2.02 2.14 1z0hA1 GLN 1077 HG2 -0.23 -0.04 -0.05 -0.04 2.40 2.04 1z0hA1 GLN 1077 HG3 -0.03 0.15 0.05 -0.04 2.39 2.53 1z0hA1 GLN 1077 HE21 0.05 0.03 -0.02 -0.04 6.97 6.99 1z0hA1 GLN 1077 HE22 -0.31 -0.03 -0.04 -0.04 7.69 7.27 1z0hA1 SER 1078 H -0.07 0.22 -0.56 -0.55 8.46 7.50 1z0hA1 SER 1078 HA -0.29 0.08 0.64 -0.75 4.49 4.17 1z0hA1 SER 1078 HB2 -0.17 0.11 0.14 -0.04 3.95 3.99 1z0hA1 SER 1078 HB3 -0.12 -0.12 0.06 -0.04 3.93 3.71 1z0hA1 TYR 1079 H 0.01 0.16 -0.22 -0.55 8.29 7.70 1z0hA1 TYR 1079 HA -0.16 0.03 0.47 -0.75 4.56 4.15 1z0hA1 TYR 1079 HB2 -0.11 0.08 0.16 -0.04 3.06 3.14 1z0hA1 TYR 1079 HB3 -0.12 0.05 0.13 -0.04 2.98 3.00 1z0hA1 TYR 1079 HD2 -0.10 0.02 -0.07 -0.04 7.15 6.96 1z0hA1 TYR 1079 HE2 -0.08 -0.03 -0.05 -0.04 6.85 6.65 1z0hA1 SER 1080 H -0.82 0.32 0.25 -0.55 8.46 7.66 1z0hA1 SER 1080 HA -0.54 0.01 0.54 -0.75 4.49 3.74 1z0hA1 SER 1080 HB2 -1.54 -0.21 0.12 -0.04 3.95 2.28 1z0hA1 SER 1080 HB3 -0.65 0.20 -0.24 -0.04 3.93 3.19 1z0hA1 GLU 1081 H -0.43 0.10 0.17 -0.55 8.60 7.89 1z0hA1 GLU 1081 HA -0.32 0.14 0.63 -0.75 4.29 3.98 1z0hA1 GLU 1081 HB2 -0.10 -0.01 0.08 -0.04 2.09 2.03 1z0hA1 GLU 1081 HB3 -0.14 0.01 0.10 -0.04 1.99 1.92 1z0hA1 GLU 1081 HG2 -0.12 -0.02 0.14 -0.04 2.34 2.30 1z0hA1 GLU 1081 HG3 0.00 0.01 -0.04 -0.04 2.34 2.28 1z0hA1 TYR 1082 H -0.68 -0.00 -0.05 -0.55 8.29 7.00 1z0hA1 TYR 1082 HA -0.12 0.07 0.88 -0.75 4.56 4.63 1z0hA1 TYR 1082 HB2 -0.12 0.17 0.14 -0.04 3.06 3.21 1z0hA1 TYR 1082 HB3 -0.10 -0.11 -0.02 -0.04 2.98 2.72 1z0hA1 TYR 1082 HD2 -0.12 0.12 -0.15 -0.04 7.15 6.96 1z0hA1 TYR 1082 HE2 -0.16 0.03 -0.05 -0.04 6.85 6.63 1z0hA1 LEU 1083 H -0.00 0.49 0.29 -0.55 8.37 8.61 1z0hA1 LEU 1083 HA -0.06 0.18 0.59 -0.75 4.35 4.31 1z0hA1 LEU 1083 HB2 -0.09 -0.05 -0.01 -0.04 1.64 1.45 1z0hA1 LEU 1083 HB3 -0.04 0.09 0.04 -0.04 1.64 1.69 1z0hA1 LEU 1083 HG -0.10 -0.08 -0.21 -0.04 1.64 1.21 1z0hA1 LEU 1083 HD13 -0.10 -0.02 -0.23 -0.04 0.93 0.54 1z0hA1 LEU 1083 HD23 -0.08 0.03 -0.08 -0.04 0.89 0.73 1z0hA1 LYS 1084 H 0.00 0.23 0.15 -0.55 8.42 8.25 1z0hA1 LYS 1084 HA -0.03 0.11 1.02 -0.75 4.32 4.67 1z0hA1 LYS 1084 HB2 -0.17 0.01 0.03 -0.04 1.87 1.71 1z0hA1 LYS 1084 HB3 -0.24 -0.01 -0.21 -0.04 1.79 1.29 1z0hA1 LYS 1084 HG2 0.04 -0.02 -0.60 -0.04 1.46 0.84 1z0hA1 LYS 1084 HG3 -0.01 0.05 -0.07 -0.04 1.46 1.39 1z0hA1 LYS 1084 HD2 -0.08 -0.03 -0.05 -0.04 1.69 1.49 1z0hA1 LYS 1084 HD3 -0.13 0.16 -0.19 -0.04 1.68 1.48 1z0hA1 LYS 1084 HE2 -0.19 -0.00 -0.06 -0.04 2.99 2.69 1z0hA1 LYS 1084 HE3 -0.15 -0.10 -0.15 -0.04 2.99 2.55 1z0hA1 ASP 1085 H -0.09 0.60 0.17 -0.55 8.40 8.53 1z0hA1 ASP 1085 HA -0.07 0.12 0.93 -0.75 4.63 4.87 1z0hA1 ASP 1085 HB2 -0.09 0.23 0.29 -0.04 2.71 3.11 1z0hA1 ASP 1085 HB3 -0.06 -0.00 0.01 -0.04 2.70 2.61 1z0hA1 PHE 1086 H -0.08 0.77 0.31 -0.55 8.34 8.79 1z0hA1 PHE 1086 HA -0.20 0.06 0.34 -0.75 4.62 4.06 1z0hA1 PHE 1086 HB2 -0.46 -0.03 -0.21 -0.04 3.15 2.40 1z0hA1 PHE 1086 HB3 -1.06 -0.02 0.06 -0.04 3.06 1.99 1z0hA1 PHE 1086 HD2 -1.64 -0.03 -0.19 -0.04 7.28 5.38 1z0hA1 PHE 1086 HE2 -1.21 -0.01 -0.11 -0.04 7.38 6.01 1z0hA1 PHE 1086 HZ -0.61 -0.02 -0.06 -0.04 7.32 6.58 1z0hA1 TRP 1087 H -0.13 0.01 -0.25 -0.55 7.97 7.05 1z0hA1 TRP 1087 HA -0.04 0.24 0.59 -0.75 4.62 4.65 1z0hA1 TRP 1087 HB2 0.03 -0.13 0.01 -0.04 3.23 3.10 1z0hA1 TRP 1087 HB3 0.02 0.14 0.17 -0.04 3.23 3.52 1z0hA1 TRP 1087 HD1 0.12 -0.04 0.01 -0.04 7.22 7.28 1z0hA1 TRP 1087 HE1 0.20 0.47 0.01 -0.04 10.20 10.84 1z0hA1 TRP 1087 HE3 0.07 0.17 -0.25 -0.04 7.59 7.54 1z0hA1 TRP 1087 HZ2 0.06 -0.01 -0.07 -0.04 7.44 7.37 1z0hA1 TRP 1087 HZ3 0.07 0.13 -0.16 -0.04 7.13 7.13 1z0hA1 TRP 1087 HH2 -0.90 -0.07 -0.11 -0.04 7.19 6.07 1z0hA1 GLY 1088 H -0.29 0.44 -0.30 -0.55 8.43 7.73 1z0hA1 GLY 1088 HA2 -1.62 0.10 0.27 -0.51 4.01 2.25 1z0hA1 GLY 1088 HA3 -0.23 0.13 0.72 -0.51 4.01 4.12 1z0hA1 ASN 1089 H 0.06 -0.08 -0.13 -0.55 8.53 7.84 1z0hA1 ASN 1089 HA -0.09 0.22 0.68 -0.75 4.76 4.83 1z0hA1 ASN 1089 HB2 0.10 -0.09 -0.00 -0.04 2.88 2.85 1z0hA1 ASN 1089 HB3 -0.04 0.08 0.06 -0.04 2.79 2.86 1z0hA1 ASN 1089 HD21 -0.06 0.01 -0.09 -0.04 7.03 6.85 1z0hA1 ASN 1089 HD22 0.12 -0.03 -0.05 -0.04 7.74 7.73 1z0hA1 PRO 1090 HA -0.05 0.28 0.60 -0.51 4.44 4.75 1z0hA1 PRO 1090 HB2 -0.45 0.02 -0.01 -0.04 2.28 1.80 1z0hA1 PRO 1090 HB3 -1.30 0.04 0.09 -0.04 2.02 0.81 1z0hA1 PRO 1090 HG2 -0.26 -0.02 0.07 -0.04 2.03 1.78 1z0hA1 PRO 1090 HG3 -0.49 -0.00 0.06 -0.04 2.03 1.56 1z0hA1 PRO 1090 HD2 -0.18 0.02 0.19 -0.04 3.68 3.68 1z0hA1 PRO 1090 HD3 -0.25 0.20 0.14 -0.04 3.65 3.70 1z0hA1 LEU 1091 H -0.04 0.78 0.23 -0.55 8.37 8.78 1z0hA1 LEU 1091 HA -0.04 0.02 0.41 -0.75 4.35 3.99 1z0hA1 LEU 1091 HB2 -0.12 0.09 -0.43 -0.04 1.64 1.14 1z0hA1 LEU 1091 HB3 -0.15 -0.02 -0.05 -0.04 1.64 1.38 1z0hA1 LEU 1091 HG -0.32 0.02 -0.18 -0.04 1.64 1.13 1z0hA1 LEU 1091 HD13 -0.63 0.02 -0.06 -0.04 0.93 0.22 1z0hA1 LEU 1091 HD23 -0.37 -0.00 -0.14 -0.04 0.89 0.34 1z0hA1 MET 1092 H 0.18 0.17 0.17 -0.55 8.47 8.44 1z0hA1 MET 1092 HA -0.11 0.10 1.18 -0.75 4.52 4.94 1z0hA1 MET 1092 HB2 0.01 -0.05 0.02 -0.04 2.15 2.08 1z0hA1 MET 1092 HB3 -0.01 0.04 0.18 -0.04 2.03 2.21 1z0hA1 MET 1092 HG2 -0.06 -0.02 -0.25 -0.04 2.63 2.26 1z0hA1 MET 1092 HG3 -0.03 0.15 -0.52 -0.04 2.56 2.11 1z0hA1 MET 1092 HE3 -0.04 -0.05 -0.09 -0.04 2.10 1.88 1z0hA1 TYR 1093 H 0.10 0.51 0.18 -0.55 8.29 8.53 1z0hA1 TYR 1093 HA -0.03 0.11 0.60 -0.75 4.56 4.49 1z0hA1 TYR 1093 HB2 -0.03 -0.06 -0.18 -0.04 3.06 2.75 1z0hA1 TYR 1093 HB3 -0.03 0.01 -0.05 -0.04 2.98 2.87 1z0hA1 TYR 1093 HD2 -0.04 -0.03 -0.55 -0.04 7.15 6.49 1z0hA1 TYR 1093 HE2 -0.06 0.12 -0.27 -0.04 6.85 6.60 1z0hA1 ASN 1094 H 0.13 0.75 0.26 -0.55 8.53 9.13 1z0hA1 ASN 1094 HA 0.05 -0.00 0.22 -0.75 4.76 4.28 1z0hA1 ASN 1094 HB2 0.03 0.15 -0.21 -0.04 2.88 2.81 1z0hA1 ASN 1094 HB3 0.03 0.04 0.01 -0.04 2.79 2.83 1z0hA1 ASN 1094 HD21 0.04 -0.10 -0.05 -0.04 7.03 6.87 1z0hA1 ASN 1094 HD22 0.07 0.06 -0.00 -0.04 7.74 7.83 1z0hA1 LYS 1095 H -0.12 0.11 -0.33 -0.55 8.42 7.53 1z0hA1 LYS 1095 HA -0.15 0.14 0.87 -0.75 4.32 4.43 1z0hA1 LYS 1095 HB2 -0.18 0.08 -0.20 -0.04 1.87 1.53 1z0hA1 LYS 1095 HB3 -0.64 -0.01 -0.09 -0.04 1.79 1.01 1z0hA1 LYS 1095 HG2 -0.52 0.10 -0.16 -0.04 1.46 0.84 1z0hA1 LYS 1095 HG3 -0.18 -0.02 0.05 -0.04 1.46 1.27 1z0hA1 LYS 1095 HD2 -0.07 -0.00 -0.04 -0.04 1.69 1.53 1z0hA1 LYS 1095 HD3 -0.08 -0.04 -0.05 -0.04 1.68 1.47 1z0hA1 LYS 1095 HE2 0.03 0.01 -0.01 -0.04 2.99 2.99 1z0hA1 LYS 1095 HE3 -0.02 -0.02 -0.00 -0.04 2.99 2.92 1z0hA1 GLU 1096 H -0.16 0.11 0.11 -0.55 8.60 8.12 1z0hA1 GLU 1096 HA -0.03 0.25 0.54 -0.75 4.29 4.30 1z0hA1 GLU 1096 HB2 -0.11 -0.05 0.16 -0.04 2.09 2.05 1z0hA1 GLU 1096 HB3 -0.11 0.01 -0.03 -0.04 1.99 1.82 1z0hA1 GLU 1096 HG2 0.16 0.05 -0.08 -0.04 2.34 2.42 1z0hA1 GLU 1096 HG3 -0.01 -0.01 -0.02 -0.04 2.34 2.26 1z0hA1 TYR 1097 H 0.12 0.79 0.34 -0.55 8.29 8.99 1z0hA1 TYR 1097 HA 0.06 0.21 0.80 -0.75 4.56 4.87 1z0hA1 TYR 1097 HB2 0.29 -0.04 -0.09 -0.04 3.06 3.18 1z0hA1 TYR 1097 HB3 0.32 -0.05 -0.16 -0.04 2.98 3.05 1z0hA1 TYR 1097 HD2 0.02 -0.05 -0.26 -0.04 7.15 6.82 1z0hA1 TYR 1097 HE2 -0.09 0.10 -0.01 -0.04 6.85 6.82 1z0hA1 TYR 1098 H 0.34 0.75 0.35 -0.55 8.29 9.17 1z0hA1 TYR 1098 HA 0.27 0.21 0.87 -0.75 4.56 5.15 1z0hA1 TYR 1098 HB2 0.10 0.02 0.24 -0.04 3.06 3.39 1z0hA1 TYR 1098 HB3 0.10 0.16 0.16 -0.04 2.98 3.36 1z0hA1 TYR 1098 HD2 0.15 0.24 -0.14 -0.04 7.15 7.36 1z0hA1 TYR 1098 HE2 -0.04 -0.02 -0.16 -0.04 6.85 6.60 1z0hA1 MET 1099 H 0.29 0.19 0.23 -0.55 8.47 8.62 1z0hA1 MET 1099 HA -0.10 0.22 1.01 -0.75 4.52 4.89 1z0hA1 MET 1099 HB2 -0.26 -0.06 0.14 -0.04 2.15 1.93 1z0hA1 MET 1099 HB3 -0.18 0.02 -0.06 -0.04 2.03 1.78 1z0hA1 MET 1099 HG2 -0.79 0.03 -0.13 -0.04 2.63 1.70 1z0hA1 MET 1099 HG3 -0.38 0.01 -0.16 -0.04 2.56 1.99 1z0hA1 MET 1099 HE3 -1.13 0.00 -0.13 -0.04 2.10 0.80 1z0hA1 PHE 1100 H 0.11 0.65 0.44 -0.55 8.34 8.99 1z0hA1 PHE 1100 HA -0.02 0.23 0.88 -0.75 4.62 4.96 1z0hA1 PHE 1100 HB2 -0.26 0.05 -0.05 -0.04 3.15 2.85 1z0hA1 PHE 1100 HB3 -0.11 0.00 0.10 -0.04 3.06 3.01 1z0hA1 PHE 1100 HD2 -0.06 -0.02 -0.13 -0.04 7.28 7.03 1z0hA1 PHE 1100 HE2 0.01 -0.01 -0.10 -0.04 7.38 7.24 1z0hA1 PHE 1100 HZ 0.03 -0.04 -0.08 -0.04 7.32 7.19 1z0hA1 ASN 1101 H -0.83 0.36 0.10 -0.55 8.53 7.61 1z0hA1 ASN 1101 HA -0.89 0.29 0.99 -0.75 4.76 4.40 1z0hA1 ASN 1101 HB2 -0.97 0.02 -0.12 -0.04 2.88 1.77 1z0hA1 ASN 1101 HB3 -0.57 0.09 0.03 -0.04 2.79 2.30 1z0hA1 ASN 1101 HD21 -0.75 0.39 0.08 -0.04 7.03 6.71 1z0hA1 ASN 1101 HD22 -2.04 -0.02 -0.14 -0.04 7.74 5.49 1z0hA1 ALA 1102 H -0.43 0.61 0.17 -0.55 8.40 8.20 1z0hA1 ALA 1102 HA -0.17 0.04 0.33 -0.75 4.34 3.78 1z0hA1 ALA 1102 HB3 -0.03 0.02 0.05 -0.04 1.41 1.40 1z0hA1 GLY 1103 H -0.33 0.12 -0.14 -0.55 8.43 7.54 1z0hA1 GLY 1103 HA2 -0.10 0.10 0.37 -0.51 4.01 3.87 1z0hA1 GLY 1103 HA3 -0.14 0.01 -0.01 -0.51 4.01 3.36 1z0hA1 ASN 1104 H -0.35 0.22 -0.62 -0.55 8.53 7.23 1z0hA1 ASN 1104 HA -0.10 0.13 0.69 -0.75 4.76 4.72 1z0hA1 ASN 1104 HB2 -0.19 0.01 0.10 -0.04 2.88 2.75 1z0hA1 ASN 1104 HB3 -0.09 -0.04 0.05 -0.04 2.79 2.67 1z0hA1 ASN 1104 HD21 -0.01 -0.02 -0.11 -0.04 7.03 6.84 1z0hA1 ASN 1104 HD22 -0.03 -0.02 -0.08 -0.04 7.74 7.57 1z0hA1 LYS 1105 H -0.13 0.22 -0.12 -0.55 8.42 7.83 1z0hA1 LYS 1105 HA -0.52 0.21 0.38 -0.75 4.32 3.64 1z0hA1 LYS 1105 HB2 0.26 -0.01 0.03 -0.04 1.87 2.11 1z0hA1 LYS 1105 HB3 0.05 0.13 0.11 -0.04 1.79 2.04 1z0hA1 LYS 1105 HG2 0.02 -0.04 0.04 -0.04 1.46 1.43 1z0hA1 LYS 1105 HG3 0.07 -0.01 -0.16 -0.04 1.46 1.32 1z0hA1 LYS 1105 HD2 0.13 -0.03 -0.02 -0.04 1.69 1.73 1z0hA1 LYS 1105 HD3 0.08 0.07 0.01 -0.04 1.68 1.81 1z0hA1 LYS 1105 HE2 0.05 0.02 -0.00 -0.04 2.99 3.01 1z0hA1 LYS 1105 HE3 0.08 -0.05 -0.02 -0.04 2.99 2.95 1z0hA1 ASN 1106 H -0.02 0.03 -0.28 -0.55 8.53 7.72 1z0hA1 ASN 1106 HA 0.09 0.22 0.71 -0.75 4.76 5.03 1z0hA1 ASN 1106 HB2 0.02 -0.01 0.03 -0.04 2.88 2.88 1z0hA1 ASN 1106 HB3 0.06 -0.03 0.19 -0.04 2.79 2.96 1z0hA1 ASN 1106 HD21 0.06 -0.03 -0.02 -0.04 7.03 7.00 1z0hA1 ASN 1106 HD22 0.04 0.01 -0.01 -0.04 7.74 7.74 1z0hA1 SER 1107 H -0.06 0.52 -0.30 -0.55 8.46 8.07 1z0hA1 SER 1107 HA -0.01 0.31 1.10 -0.75 4.49 5.13 1z0hA1 SER 1107 HB2 -0.09 0.09 0.04 -0.04 3.95 3.95 1z0hA1 SER 1107 HB3 -0.06 -0.04 -0.05 -0.04 3.93 3.73 1z0hA1 TYR 1108 H -0.22 0.54 0.31 -0.55 8.29 8.37 1z0hA1 TYR 1108 HA 0.04 0.23 0.76 -0.75 4.56 4.84 1z0hA1 TYR 1108 HB2 0.07 0.08 0.05 -0.04 3.06 3.22 1z0hA1 TYR 1108 HB3 0.04 0.10 -0.25 -0.04 2.98 2.83 1z0hA1 TYR 1108 HD2 0.03 0.07 -0.41 -0.04 7.15 6.80 1z0hA1 TYR 1108 HE2 0.02 0.11 -0.32 -0.04 6.85 6.62 1z0hA1 ILE 1109 H 0.23 0.24 0.20 -0.55 8.25 8.36 1z0hA1 ILE 1109 HA -0.05 0.29 0.85 -0.75 4.18 4.52 1z0hA1 ILE 1109 HB 0.06 -0.02 0.12 -0.04 1.89 2.01 1z0hA1 ILE 1109 HG12 -0.12 0.02 -0.17 -0.04 1.49 1.17 1z0hA1 ILE 1109 HG13 0.04 0.02 -0.05 -0.04 1.21 1.17 1z0hA1 ILE 1109 HG23 -0.35 -0.01 -0.16 -0.04 0.93 0.38 1z0hA1 ILE 1109 HD13 -1.24 0.01 -0.09 -0.04 0.88 -0.48 1z0hA1 LYS 1110 H -0.06 0.75 0.30 -0.55 8.42 8.85 1z0hA1 LYS 1110 HA 0.01 0.03 0.82 -0.75 4.32 4.42 1z0hA1 LYS 1110 HB2 0.17 -0.00 -0.15 -0.04 1.87 1.85 1z0hA1 LYS 1110 HB3 -0.06 0.02 -0.01 -0.04 1.79 1.70 1z0hA1 LYS 1110 HG2 0.03 -0.03 -0.09 -0.04 1.46 1.33 1z0hA1 LYS 1110 HG3 0.00 0.23 -0.32 -0.04 1.46 1.33 1z0hA1 LYS 1110 HD2 0.05 -0.06 0.07 -0.04 1.69 1.72 1z0hA1 LYS 1110 HD3 0.14 -0.03 -0.02 -0.04 1.68 1.73 1z0hA1 LYS 1110 HE2 0.01 0.11 0.01 -0.04 2.99 3.08 1z0hA1 LYS 1110 HE3 0.03 -0.03 0.00 -0.04 2.99 2.95 1z0hA1 LEU 1111 H -0.10 0.11 0.09 -0.55 8.37 7.94 1z0hA1 LEU 1111 HA -0.05 0.11 0.50 -0.75 4.35 4.15 1z0hA1 LEU 1111 HB2 -0.13 -0.03 0.06 -0.04 1.64 1.50 1z0hA1 LEU 1111 HB3 -0.06 -0.06 0.11 -0.04 1.64 1.59 1z0hA1 LEU 1111 HG 0.01 0.14 -0.19 -0.04 1.64 1.55 1z0hA1 LEU 1111 HD13 0.11 0.05 -0.08 -0.04 0.93 0.97 1z0hA1 LEU 1111 HD23 -0.16 -0.02 -0.05 -0.04 0.89 0.62 1z0hA1 LYS 1112 H 0.03 0.61 0.45 -0.55 8.42 8.96 1z0hA1 LYS 1112 HA 0.00 -0.00 0.52 -0.75 4.32 4.08 1z0hA1 LYS 1112 HB2 0.02 -0.08 0.06 -0.04 1.87 1.84 1z0hA1 LYS 1112 HB3 0.09 -0.03 0.08 -0.04 1.79 1.89 1z0hA1 LYS 1112 HG2 0.06 0.21 -0.19 -0.04 1.46 1.51 1z0hA1 LYS 1112 HG3 0.02 -0.05 0.03 -0.04 1.46 1.42 1z0hA1 LYS 1112 HD2 0.10 -0.03 -0.06 -0.04 1.69 1.66 1z0hA1 LYS 1112 HD3 0.22 -0.03 -0.08 -0.04 1.68 1.74 1z0hA1 LYS 1112 HE2 0.10 -0.01 -0.04 -0.04 2.99 3.00 1z0hA1 LYS 1112 HE3 0.24 -0.04 -0.06 -0.04 2.99 3.09 1z0hA1 LYS 1113 H 0.02 0.08 0.17 -0.55 8.42 8.13 1z0hA1 LYS 1113 HA 0.02 0.03 0.38 -0.75 4.32 4.00 1z0hA1 LYS 1113 HB2 0.01 0.02 0.15 -0.04 1.87 2.02 1z0hA1 LYS 1113 HB3 0.02 -0.01 0.09 -0.04 1.79 1.85 1z0hA1 LYS 1113 HG2 0.02 0.04 -0.10 -0.04 1.46 1.38 1z0hA1 LYS 1113 HG3 0.02 -0.01 0.07 -0.04 1.46 1.50 1z0hA1 LYS 1113 HD2 0.01 -0.00 -0.02 -0.04 1.69 1.64 1z0hA1 LYS 1113 HD3 0.01 0.00 -0.01 -0.04 1.68 1.65 1z0hA1 LYS 1113 HE2 0.01 -0.00 0.03 -0.04 2.99 2.99 1z0hA1 LYS 1113 HE3 0.01 0.00 0.01 -0.04 2.99 2.97 1z0hA1 ASP 1114 H 0.04 0.11 0.19 -0.55 8.40 8.19 1z0hA1 ASP 1114 HA 0.06 -0.00 0.35 -0.75 4.63 4.28 1z0hA1 ASP 1114 HB2 0.04 0.19 -0.09 -0.04 2.71 2.82 1z0hA1 ASP 1114 HB3 0.04 -0.02 0.19 -0.04 2.70 2.87 1z0hA1 SER 1115 H 0.08 0.40 -0.27 -0.55 8.46 8.12 1z0hA1 SER 1115 HA 0.10 0.17 0.81 -0.75 4.49 4.81 1z0hA1 SER 1115 HB2 0.10 0.08 -0.11 -0.04 3.95 3.97 1z0hA1 SER 1115 HB3 0.11 -0.12 0.06 -0.04 3.93 3.94 1z0hA1 PRO 1116 HA 0.11 0.23 0.76 -0.51 4.44 5.03 1z0hA1 PRO 1116 HB2 -0.42 0.01 0.23 -0.04 2.28 2.06 1z0hA1 PRO 1116 HB3 0.07 0.01 0.08 -0.04 2.02 2.14 1z0hA1 PRO 1116 HG2 0.26 0.02 -0.06 -0.04 2.03 2.21 1z0hA1 PRO 1116 HG3 0.35 0.01 0.04 -0.04 2.03 2.39 1z0hA1 PRO 1116 HD2 0.13 0.08 0.16 -0.04 3.68 4.01 1z0hA1 PRO 1116 HD3 0.14 0.15 0.11 -0.04 3.65 4.00 1z0hA1 VAL 1117 H 0.11 0.17 -0.34 -0.55 8.24 7.63 1z0hA1 VAL 1117 HA 0.14 0.31 1.01 -0.75 4.13 4.84 1z0hA1 VAL 1117 HB 0.19 0.01 0.11 -0.04 2.12 2.40 1z0hA1 VAL 1117 HG13 0.10 0.04 -0.16 -0.04 0.97 0.90 1z0hA1 VAL 1117 HG23 0.22 -0.03 -0.18 -0.04 0.95 0.92 1z0hA1 GLY 1118 H 0.24 0.27 0.19 -0.55 8.43 8.58 1z0hA1 GLY 1118 HA2 0.03 0.14 0.91 -0.51 4.01 4.58 1z0hA1 GLY 1118 HA3 0.14 0.01 0.28 -0.51 4.01 3.93 1z0hA1 GLU 1119 H -0.04 0.64 0.36 -0.55 8.60 9.02 1z0hA1 GLU 1119 HA -0.36 0.15 0.88 -0.75 4.29 4.20 1z0hA1 GLU 1119 HB2 -0.27 0.05 0.11 -0.04 2.09 1.93 1z0hA1 GLU 1119 HB3 -0.20 -0.05 0.08 -0.04 1.99 1.78 1z0hA1 GLU 1119 HG2 -0.07 0.25 0.02 -0.04 2.34 2.50 1z0hA1 GLU 1119 HG3 -0.12 -0.05 -0.20 -0.04 2.34 1.93 1z0hA1 ILE 1120 H -0.23 0.50 0.24 -0.55 8.25 8.21 1z0hA1 ILE 1120 HA -0.14 0.32 0.92 -0.75 4.18 4.51 1z0hA1 ILE 1120 HB -0.06 -0.08 0.01 -0.04 1.89 1.72 1z0hA1 ILE 1120 HG12 0.03 -0.03 -0.57 -0.04 1.49 0.88 1z0hA1 ILE 1120 HG13 0.11 -0.05 -0.40 -0.04 1.21 0.83 1z0hA1 ILE 1120 HG23 -0.05 0.01 -0.20 -0.04 0.93 0.65 1z0hA1 ILE 1120 HD13 0.13 0.04 -0.38 -0.04 0.88 0.64 1z0hA1 LEU 1121 H -0.51 0.58 0.29 -0.55 8.37 8.18 1z0hA1 LEU 1121 HA -0.21 0.16 0.93 -0.75 4.35 4.48 1z0hA1 LEU 1121 HB2 -1.20 0.01 -0.09 -0.04 1.64 0.32 1z0hA1 LEU 1121 HB3 -0.25 0.01 0.07 -0.04 1.64 1.43 1z0hA1 LEU 1121 HG -0.31 0.00 -0.25 -0.04 1.64 1.05 1z0hA1 LEU 1121 HD13 -0.03 -0.00 -0.09 -0.04 0.93 0.77 1z0hA1 LEU 1121 HD23 -0.13 0.04 -0.21 -0.04 0.89 0.55 1z0hA1 THR 1122 H -0.09 0.10 0.15 -0.55 8.28 7.89 1z0hA1 THR 1122 HA 0.00 0.29 0.78 -0.75 4.39 4.71 1z0hA1 THR 1122 HB 0.03 -0.04 0.09 -0.04 4.32 4.36 1z0hA1 THR 1122 HG23 0.04 0.05 -0.01 -0.04 1.22 1.27 1z0hA1 ARG 1123 H 0.16 0.71 0.28 -0.55 8.46 9.06 1z0hA1 ARG 1123 HA 0.35 -0.06 0.32 -0.75 4.34 4.20 1z0hA1 ARG 1123 HB2 0.13 -0.08 0.09 -0.04 1.90 2.00 1z0hA1 ARG 1123 HB3 0.11 0.08 0.03 -0.04 1.80 1.98 1z0hA1 ARG 1123 HG2 0.21 -0.04 -0.16 -0.04 1.67 1.64 1z0hA1 ARG 1123 HG3 0.23 0.04 -0.38 -0.04 1.67 1.52 1z0hA1 ARG 1123 HD2 0.13 -0.11 0.04 -0.04 3.22 3.25 1z0hA1 ARG 1123 HD3 0.10 0.12 -0.07 -0.04 3.22 3.34 1z0hA1 SER 1124 H 0.07 0.03 0.16 -0.55 8.46 8.18 1z0hA1 SER 1124 HA 0.07 0.10 0.52 -0.75 4.49 4.42 1z0hA1 SER 1124 HB2 0.03 0.05 0.09 -0.04 3.95 4.08 1z0hA1 SER 1124 HB3 0.05 0.02 0.12 -0.04 3.93 4.08 1z0hA1 LYS 1125 H 0.02 0.15 0.16 -0.55 8.42 8.19 1z0hA1 LYS 1125 HA 0.02 0.18 1.10 -0.75 4.32 4.87 1z0hA1 LYS 1125 HB2 -0.00 -0.00 0.11 -0.04 1.87 1.94 1z0hA1 LYS 1125 HB3 0.03 0.03 -0.07 -0.04 1.79 1.74 1z0hA1 LYS 1125 HG2 0.00 -0.11 0.05 -0.04 1.46 1.36 1z0hA1 LYS 1125 HG3 -0.03 0.22 -0.21 -0.04 1.46 1.40 1z0hA1 LYS 1125 HD2 0.00 0.00 -0.02 -0.04 1.69 1.64 1z0hA1 LYS 1125 HD3 0.02 0.00 -0.03 -0.04 1.68 1.63 1z0hA1 LYS 1125 HE2 0.02 -0.02 -0.02 -0.04 2.99 2.93 1z0hA1 LYS 1125 HE3 0.04 0.02 -0.05 -0.04 2.99 2.96 1z0hA1 TYR 1126 H -0.22 0.46 0.26 -0.55 8.29 8.25 1z0hA1 TYR 1126 HA -0.35 -0.11 0.40 -0.75 4.56 3.74 1z0hA1 TYR 1126 HB2 -1.20 0.01 0.10 -0.04 3.06 1.94 1z0hA1 TYR 1126 HB3 -0.32 0.02 0.18 -0.04 2.98 2.82 1z0hA1 TYR 1126 HD2 -0.07 0.07 -0.03 -0.04 7.15 7.08 1z0hA1 TYR 1126 HE2 0.03 -0.03 -0.06 -0.04 6.85 6.74 1z0hA1 ASN 1127 H -0.21 -0.03 0.25 -0.55 8.53 7.99 1z0hA1 ASN 1127 HA -0.21 0.22 0.71 -0.75 4.76 4.74 1z0hA1 ASN 1127 HB2 -0.12 -0.11 0.16 -0.04 2.88 2.77 1z0hA1 ASN 1127 HB3 -0.12 -0.01 0.02 -0.04 2.79 2.65 1z0hA1 ASN 1127 HD21 -0.01 -0.02 0.03 -0.04 7.03 7.00 1z0hA1 ASN 1127 HD22 -0.02 -0.06 0.05 -0.04 7.74 7.67 1z0hA1 GLN 1128 H -0.80 -0.08 0.02 -0.55 8.47 7.06 1z0hA1 GLN 1128 HA -0.22 0.10 0.37 -0.75 4.36 3.86 1z0hA1 GLN 1128 HB2 -0.17 -0.06 0.06 -0.04 2.15 1.93 1z0hA1 GLN 1128 HB3 -0.08 0.01 0.15 -0.04 2.02 2.06 1z0hA1 GLN 1128 HG2 -0.19 -0.04 0.07 -0.04 2.40 2.20 1z0hA1 GLN 1128 HG3 0.10 0.02 0.02 -0.04 2.39 2.50 1z0hA1 GLN 1128 HE21 -0.05 0.08 0.02 -0.04 6.97 6.98 1z0hA1 GLN 1128 HE22 -0.11 -0.11 0.11 -0.04 7.69 7.54 1z0hA1 ASN 1129 H -0.05 0.05 0.05 -0.55 8.53 8.03 1z0hA1 ASN 1129 HA -0.03 0.36 0.88 -0.75 4.76 5.22 1z0hA1 ASN 1129 HB2 -0.06 0.06 -0.17 -0.04 2.88 2.67 1z0hA1 ASN 1129 HB3 -0.01 -0.07 0.11 -0.04 2.79 2.78 1z0hA1 ASN 1129 HD21 -0.01 -0.00 0.01 -0.04 7.03 6.98 1z0hA1 ASN 1129 HD22 -0.02 -0.03 0.01 -0.04 7.74 7.66 1z0hA1 SER 1130 H 0.40 0.09 -0.06 -0.55 8.46 8.34 1z0hA1 SER 1130 HA 0.11 0.06 0.55 -0.75 4.49 4.46 1z0hA1 SER 1130 HB2 0.20 0.03 0.13 -0.04 3.95 4.27 1z0hA1 SER 1130 HB3 0.14 0.06 0.13 -0.04 3.93 4.22 1z0hA1 LYS 1131 H 0.01 0.12 0.19 -0.55 8.42 8.18 1z0hA1 LYS 1131 HA -0.02 0.21 0.48 -0.75 4.32 4.24 1z0hA1 LYS 1131 HB2 -0.11 0.04 0.13 -0.04 1.87 1.88 1z0hA1 LYS 1131 HB3 -0.08 0.02 0.12 -0.04 1.79 1.81 1z0hA1 LYS 1131 HG2 -0.58 0.04 -0.42 -0.04 1.46 0.46 1z0hA1 LYS 1131 HG3 -0.30 0.02 -0.03 -0.04 1.46 1.11 1z0hA1 LYS 1131 HD2 -0.09 -0.13 0.11 -0.04 1.69 1.55 1z0hA1 LYS 1131 HD3 -0.41 -0.00 -0.03 -0.04 1.68 1.19 1z0hA1 LYS 1131 HE2 -0.12 0.02 0.01 -0.04 2.99 2.86 1z0hA1 LYS 1131 HE3 -0.07 0.04 0.05 -0.04 2.99 2.97 1z0hA1 TYR 1132 H 0.10 -0.12 -0.37 -0.55 8.29 7.35 1z0hA1 TYR 1132 HA -0.06 0.22 0.76 -0.75 4.56 4.73 1z0hA1 TYR 1132 HB2 -0.14 -0.10 0.04 -0.04 3.06 2.82 1z0hA1 TYR 1132 HB3 -0.16 0.04 -0.06 -0.04 2.98 2.75 1z0hA1 TYR 1132 HD2 -0.06 -0.03 -0.01 -0.04 7.15 7.01 1z0hA1 TYR 1132 HE2 -0.04 0.01 -0.04 -0.04 6.85 6.74 1z0hA1 ILE 1133 H -0.03 -0.00 -0.10 -0.55 8.25 7.57 1z0hA1 ILE 1133 HA -0.05 0.44 1.13 -0.75 4.18 4.95 1z0hA1 ILE 1133 HB -0.19 0.06 0.05 -0.04 1.89 1.77 1z0hA1 ILE 1133 HG12 -0.28 -0.18 0.04 -0.04 1.49 1.03 1z0hA1 ILE 1133 HG13 -0.82 0.05 -0.21 -0.04 1.21 0.19 1z0hA1 ILE 1133 HG23 -0.87 -0.03 -0.16 -0.04 0.93 -0.18 1z0hA1 ILE 1133 HD13 -0.43 -0.01 -0.06 -0.04 0.88 0.33 1z0hA1 ASN 1134 H 0.08 0.65 0.35 -0.55 8.53 9.06 1z0hA1 ASN 1134 HA -0.00 0.03 0.47 -0.75 4.76 4.50 1z0hA1 ASN 1134 HB2 0.07 0.14 -0.09 -0.04 2.88 2.96 1z0hA1 ASN 1134 HB3 0.08 -0.04 -0.11 -0.04 2.79 2.68 1z0hA1 ASN 1134 HD21 0.04 -0.02 -0.02 -0.04 7.03 6.99 1z0hA1 ASN 1134 HD22 0.09 0.05 0.12 -0.04 7.74 7.96 1z0hA1 TYR 1135 H -0.14 0.20 0.16 -0.55 8.29 7.96 1z0hA1 TYR 1135 HA 0.19 0.32 0.36 -0.75 4.56 4.67 1z0hA1 TYR 1135 HB2 0.40 0.13 0.10 -0.04 3.06 3.66 1z0hA1 TYR 1135 HB3 0.23 0.10 -0.16 -0.04 2.98 3.11 1z0hA1 TYR 1135 HD2 0.16 0.16 -0.56 -0.04 7.15 6.87 1z0hA1 TYR 1135 HE2 -0.02 -0.07 -0.16 -0.04 6.85 6.56 1z0hA1 ARG 1136 H 0.35 0.75 0.33 -0.55 8.46 9.35 1z0hA1 ARG 1136 HA 0.14 0.10 0.85 -0.75 4.34 4.68 1z0hA1 ARG 1136 HB2 0.17 0.08 0.04 -0.04 1.90 2.15 1z0hA1 ARG 1136 HB3 0.14 0.07 0.00 -0.04 1.80 1.97 1z0hA1 ARG 1136 HG2 0.15 -0.17 -0.01 -0.04 1.67 1.60 1z0hA1 ARG 1136 HG3 0.12 -0.03 -0.06 -0.04 1.67 1.67 1z0hA1 ARG 1136 HD2 0.10 0.20 -0.19 -0.04 3.22 3.28 1z0hA1 ARG 1136 HD3 0.09 -0.08 -0.20 -0.04 3.22 2.98 1z0hA1 ASP 1137 H 0.15 0.57 0.16 -0.55 8.40 8.74 1z0hA1 ASP 1137 HA 0.37 -0.03 0.31 -0.75 4.63 4.53 1z0hA1 ASP 1137 HB2 0.03 0.00 -0.02 -0.04 2.71 2.68 1z0hA1 ASP 1137 HB3 0.04 -0.09 -0.10 -0.04 2.70 2.51 1z0hA1 LEU 1138 H -0.10 -0.02 0.12 -0.55 8.37 7.82 1z0hA1 LEU 1138 HA -0.22 0.29 0.85 -0.75 4.35 4.51 1z0hA1 LEU 1138 HB2 -0.83 -0.05 -0.03 -0.04 1.64 0.69 1z0hA1 LEU 1138 HB3 -0.63 0.03 0.00 -0.04 1.64 0.99 1z0hA1 LEU 1138 HG -0.46 0.02 -0.08 -0.04 1.64 1.08 1z0hA1 LEU 1138 HD13 -1.83 -0.01 -0.07 -0.04 0.93 -1.02 1z0hA1 LEU 1138 HD23 -0.44 0.04 -0.14 -0.04 0.89 0.30 1z0hA1 TYR 1139 H -0.27 -0.04 -0.02 -0.55 8.29 7.41 1z0hA1 TYR 1139 HA -1.48 0.26 0.77 -0.75 4.56 3.35 1z0hA1 TYR 1139 HB2 -0.17 -0.06 0.19 -0.04 3.06 2.98 1z0hA1 TYR 1139 HB3 -0.46 0.03 0.12 -0.04 2.98 2.64 1z0hA1 TYR 1139 HD2 -0.01 0.07 -0.16 -0.04 7.15 7.00 1z0hA1 TYR 1139 HE2 0.29 0.13 -0.07 -0.04 6.85 7.16 1z0hA1 ILE 1140 H -0.37 0.49 -0.35 -0.55 8.25 7.47 1z0hA1 ILE 1140 HA -0.16 0.15 0.75 -0.75 4.18 4.16 1z0hA1 ILE 1140 HB -0.66 -0.06 -0.04 -0.04 1.89 1.10 1z0hA1 ILE 1140 HG12 -0.25 -0.06 -0.46 -0.04 1.49 0.68 1z0hA1 ILE 1140 HG13 -0.52 0.07 -0.30 -0.04 1.21 0.42 1z0hA1 ILE 1140 HG23 -0.16 -0.05 -0.29 -0.04 0.93 0.40 1z0hA1 ILE 1140 HD13 -0.30 0.02 -0.11 -0.04 0.88 0.44 1z0hA1 GLY 1141 H -0.14 0.03 0.08 -0.55 8.43 7.86 1z0hA1 GLY 1141 HA2 0.24 -0.00 0.34 -0.51 4.01 4.07 1z0hA1 GLY 1141 HA3 0.24 0.14 0.74 -0.51 4.01 4.62 1z0hA1 GLU 1142 H 0.06 0.49 0.29 -0.55 8.60 8.89 1z0hA1 GLU 1142 HA -0.05 -0.01 0.39 -0.75 4.29 3.87 1z0hA1 GLU 1142 HB2 -0.77 -0.01 0.01 -0.04 2.09 1.28 1z0hA1 GLU 1142 HB3 -0.60 0.03 -0.09 -0.04 1.99 1.29 1z0hA1 GLU 1142 HG2 -0.18 0.10 0.01 -0.04 2.34 2.23 1z0hA1 GLU 1142 HG3 -0.62 -0.00 -0.10 -0.04 2.34 1.57 1z0hA1 LYS 1143 H -0.03 0.10 0.19 -0.55 8.42 8.13 1z0hA1 LYS 1143 HA -0.22 0.21 0.65 -0.75 4.32 4.21 1z0hA1 LYS 1143 HB2 0.13 -0.14 0.23 -0.04 1.87 2.06 1z0hA1 LYS 1143 HB3 -0.09 0.03 0.04 -0.04 1.79 1.72 1z0hA1 LYS 1143 HG2 -0.08 0.12 -0.06 -0.04 1.46 1.39 1z0hA1 LYS 1143 HG3 0.04 -0.04 0.10 -0.04 1.46 1.52 1z0hA1 LYS 1143 HD2 -0.03 -0.06 0.03 -0.04 1.69 1.58 1z0hA1 LYS 1143 HD3 -0.07 0.02 -0.01 -0.04 1.68 1.57 1z0hA1 LYS 1143 HE2 0.05 -0.04 0.01 -0.04 2.99 2.97 1z0hA1 LYS 1143 HE3 0.04 -0.02 -0.00 -0.04 2.99 2.97 1z0hA1 PHE 1144 H 0.30 0.72 0.36 -0.55 8.34 9.17 1z0hA1 PHE 1144 HA 0.13 0.10 0.91 -0.75 4.62 5.00 1z0hA1 PHE 1144 HB2 0.19 0.04 0.05 -0.04 3.15 3.38 1z0hA1 PHE 1144 HB3 0.16 0.01 0.08 -0.04 3.06 3.27 1z0hA1 PHE 1144 HD2 0.07 0.17 -0.04 -0.04 7.28 7.44 1z0hA1 PHE 1144 HE2 -0.13 -0.02 -0.07 -0.04 7.38 7.12 1z0hA1 PHE 1144 HZ -0.55 -0.08 -0.11 -0.04 7.32 6.55 1z0hA1 ILE 1145 H 0.21 0.65 0.16 -0.55 8.25 8.72 1z0hA1 ILE 1145 HA 0.10 0.26 0.59 -0.75 4.18 4.38 1z0hA1 ILE 1145 HB 0.15 0.04 -0.35 -0.04 1.89 1.70 1z0hA1 ILE 1145 HG12 0.05 0.00 -0.33 -0.04 1.49 1.18 1z0hA1 ILE 1145 HG13 0.02 0.00 -0.15 -0.04 1.21 1.04 1z0hA1 ILE 1145 HG23 -0.20 -0.02 -0.25 -0.04 0.93 0.42 1z0hA1 ILE 1145 HD13 0.14 -0.01 -0.32 -0.04 0.88 0.66 1z0hA1 ILE 1146 H 0.05 0.23 0.15 -0.55 8.25 8.14 1z0hA1 ILE 1146 HA 0.07 0.22 0.93 -0.75 4.18 4.64 1z0hA1 ILE 1146 HB -0.14 0.02 0.12 -0.04 1.89 1.85 1z0hA1 ILE 1146 HG12 -0.18 0.01 -0.10 -0.04 1.49 1.18 1z0hA1 ILE 1146 HG13 -0.05 -0.04 -0.03 -0.04 1.21 1.05 1z0hA1 ILE 1146 HG23 -0.13 0.00 -0.16 -0.04 0.93 0.61 1z0hA1 ILE 1146 HD13 -0.89 0.03 -0.10 -0.04 0.88 -0.12 1z0hA1 ARG 1147 H 0.14 0.63 0.39 -0.55 8.46 9.06 1z0hA1 ARG 1147 HA 0.16 0.08 0.95 -0.75 4.34 4.78 1z0hA1 ARG 1147 HB2 0.22 -0.02 0.06 -0.04 1.90 2.13 1z0hA1 ARG 1147 HB3 0.13 0.08 0.01 -0.04 1.80 1.98 1z0hA1 ARG 1147 HG2 0.07 0.02 -0.24 -0.04 1.67 1.49 1z0hA1 ARG 1147 HG3 0.06 0.02 -0.09 -0.04 1.67 1.62 1z0hA1 ARG 1147 HD2 0.06 0.03 -0.04 -0.04 3.22 3.23 1z0hA1 ARG 1147 HD3 0.08 0.01 -0.27 -0.04 3.22 3.00 1z0hA1 ARG 1148 H -0.11 0.10 0.10 -0.55 8.46 8.00 1z0hA1 ARG 1148 HA -0.17 0.08 0.52 -0.75 4.34 4.02 1z0hA1 ARG 1148 HB2 -0.98 -0.06 0.05 -0.04 1.90 0.87 1z0hA1 ARG 1148 HB3 -0.30 -0.04 0.06 -0.04 1.80 1.48 1z0hA1 ARG 1148 HG2 -0.23 0.15 -0.32 -0.04 1.67 1.24 1z0hA1 ARG 1148 HG3 -0.46 -0.07 0.02 -0.04 1.67 1.12 1z0hA1 ARG 1148 HD2 -0.20 -0.01 0.04 -0.04 3.22 3.01 1z0hA1 ARG 1148 HD3 -0.20 0.08 0.05 -0.04 3.22 3.11 1z0hA1 LYS 1149 H -0.16 0.51 0.26 -0.55 8.42 8.48 1z0hA1 LYS 1149 HA -0.66 0.11 0.55 -0.75 4.32 3.57 1z0hA1 LYS 1149 HB2 -0.72 0.04 -0.26 -0.04 1.87 0.89 1z0hA1 LYS 1149 HB3 -0.16 0.13 -0.23 -0.04 1.79 1.49 1z0hA1 LYS 1149 HG2 -0.16 -0.01 -0.04 -0.04 1.46 1.20 1z0hA1 LYS 1149 HG3 -0.16 -0.07 -0.04 -0.04 1.46 1.15 1z0hA1 LYS 1149 HD2 -0.28 0.02 -0.18 -0.04 1.69 1.21 1z0hA1 LYS 1149 HD3 -0.57 0.05 -0.10 -0.04 1.68 1.02 1z0hA1 LYS 1149 HE2 -0.05 -0.06 -0.10 -0.04 2.99 2.74 1z0hA1 LYS 1149 HE3 0.12 0.02 -0.06 -0.04 2.99 3.02 1z0hA1 SER 1150 H -0.08 0.09 0.10 -0.55 8.46 8.02 1z0hA1 SER 1150 HA -0.07 -0.05 0.34 -0.75 4.49 3.96 1z0hA1 SER 1150 HB2 -0.03 0.03 0.04 -0.04 3.95 3.94 1z0hA1 SER 1150 HB3 -0.04 -0.02 0.16 -0.04 3.93 3.98 1z0hA1 ASN 1151 H -0.04 0.04 0.15 -0.55 8.53 8.12 1z0hA1 ASN 1151 HA -0.03 -0.04 0.36 -0.75 4.76 4.30 1z0hA1 ASN 1151 HB2 -0.03 -0.05 -0.03 -0.04 2.88 2.73 1z0hA1 ASN 1151 HB3 -0.05 0.13 0.04 -0.04 2.79 2.87 1z0hA1 ASN 1151 HD21 -0.02 0.00 -0.01 -0.04 7.03 6.96 1z0hA1 ASN 1151 HD22 -0.02 -0.01 0.01 -0.04 7.74 7.67 1z0hA1 SER 1152 H -0.03 0.08 -0.01 -0.55 8.46 7.96 1z0hA1 SER 1152 HA -0.08 0.17 0.71 -0.75 4.49 4.53 1z0hA1 SER 1152 HB2 -0.01 -0.08 0.05 -0.04 3.95 3.87 1z0hA1 SER 1152 HB3 -0.03 0.31 -0.02 -0.04 3.93 4.15 1z0hA1 GLN 1153 H -0.06 0.37 0.01 -0.55 8.47 8.25 1z0hA1 GLN 1153 HA -0.02 0.13 0.92 -0.75 4.36 4.64 1z0hA1 SER 1154 H -0.01 0.18 0.10 -0.55 8.46 8.19 1z0hA1 SER 1154 HA -0.01 0.04 0.26 -0.75 4.49 4.03 1z0hA1 SER 1154 HB2 -0.01 -0.03 0.03 -0.04 3.95 3.90 1z0hA1 SER 1154 HB3 -0.02 0.07 -0.05 -0.04 3.93 3.90 1z0hA1 ILE 1155 H -0.03 0.02 -0.43 -0.55 8.25 7.27 1z0hA1 ILE 1155 HA -0.05 0.08 0.42 -0.75 4.18 3.87 1z0hA1 ILE 1155 HB -0.05 -0.03 -0.04 -0.04 1.89 1.73 1z0hA1 ILE 1155 HG12 -0.02 -0.06 -0.02 -0.04 1.49 1.35 1z0hA1 ILE 1155 HG13 -0.00 0.04 0.09 -0.04 1.21 1.29 1z0hA1 ILE 1155 HG23 -0.13 -0.01 -0.04 -0.04 0.93 0.72 1z0hA1 ILE 1155 HD13 0.00 0.01 0.01 -0.04 0.88 0.86 1z0hA1 ASN 1156 H -0.02 0.16 0.38 -0.55 8.53 8.50 1z0hA1 ASN 1156 HA 0.00 0.14 0.81 -0.75 4.76 4.96 1z0hA1 ASP 1157 H -0.00 0.19 0.24 -0.55 8.40 8.28 1z0hA1 ASP 1157 HA 0.04 0.18 0.12 -0.75 4.63 4.22 1z0hA1 ASP 1157 HB2 -0.00 -0.05 -0.38 -0.04 2.71 2.24 1z0hA1 ASP 1157 HB3 0.00 -0.09 0.05 -0.04 2.70 2.62 1z0hA1 ASP 1158 H 0.05 0.33 0.22 -0.55 8.40 8.45 1z0hA1 ASP 1158 HA 0.02 0.05 0.31 -0.75 4.63 4.26 1z0hA1 ASP 1158 HB2 0.01 0.57 0.46 -0.04 2.71 3.71 1z0hA1 ASP 1158 HB3 0.18 -0.04 -0.13 -0.04 2.70 2.67 1z0hA1 ILE 1159 H 0.05 0.16 0.16 -0.55 8.25 8.07 1z0hA1 ILE 1159 HA -0.05 0.28 0.97 -0.75 4.18 4.64 1z0hA1 ILE 1159 HB -0.02 -0.05 0.11 -0.04 1.89 1.88 1z0hA1 ILE 1159 HG12 -0.17 0.12 -0.09 -0.04 1.49 1.31 1z0hA1 ILE 1159 HG13 -0.08 -0.13 -0.09 -0.04 1.21 0.87 1z0hA1 ILE 1159 HG23 -0.09 0.03 -0.18 -0.04 0.93 0.64 1z0hA1 ILE 1159 HD13 -0.24 -0.00 -0.01 -0.04 0.88 0.59 1z0hA1 VAL 1160 H -0.16 0.74 0.21 -0.55 8.24 8.49 1z0hA1 VAL 1160 HA -0.15 0.05 0.56 -0.75 4.13 3.83 1z0hA1 VAL 1160 HB -0.28 -0.01 -0.08 -0.04 2.12 1.71 1z0hA1 VAL 1160 HG13 -0.33 0.00 -0.21 -0.04 0.97 0.39 1z0hA1 VAL 1160 HG23 -0.99 -0.01 -0.40 -0.04 0.95 -0.48 1z0hA1 ARG 1161 H -0.00 0.14 0.18 -0.55 8.46 8.23 1z0hA1 ARG 1161 HA -0.04 0.14 1.11 -0.75 4.34 4.80 1z0hA1 ARG 1161 HB2 -0.01 -0.05 0.04 -0.04 1.90 1.85 1z0hA1 ARG 1161 HB3 -0.04 0.16 0.06 -0.04 1.80 1.94 1z0hA1 ARG 1161 HG2 0.05 -0.02 -0.32 -0.04 1.67 1.34 1z0hA1 ARG 1161 HG3 0.04 0.02 -0.29 -0.04 1.67 1.39 1z0hA1 ARG 1161 HD2 0.01 -0.01 -0.04 -0.04 3.22 3.15 1z0hA1 ARG 1161 HD3 -0.01 0.02 -0.07 -0.04 3.22 3.12 1z0hA1 LYS 1162 H -0.11 0.55 0.25 -0.55 8.42 8.56 1z0hA1 LYS 1162 HA -0.14 0.02 0.37 -0.75 4.32 3.82 1z0hA1 LYS 1162 HB2 -0.12 -0.00 0.13 -0.04 1.87 1.84 1z0hA1 LYS 1162 HB3 -0.14 -0.04 0.07 -0.04 1.79 1.63 1z0hA1 LYS 1162 HG2 -0.15 -0.05 -0.05 -0.04 1.46 1.18 1z0hA1 LYS 1162 HG3 -0.15 0.07 -0.01 -0.04 1.46 1.32 1z0hA1 LYS 1162 HD2 -0.18 -0.04 0.09 -0.04 1.69 1.51 1z0hA1 LYS 1162 HD3 -0.14 -0.04 0.03 -0.04 1.68 1.48 1z0hA1 LYS 1162 HE2 -0.18 -0.06 -0.03 -0.04 2.99 2.69 1z0hA1 LYS 1162 HE3 -0.28 0.16 -0.10 -0.04 2.99 2.74 1z0hA1 GLU 1163 H -0.18 0.48 0.36 -0.55 8.60 8.71 1z0hA1 GLU 1163 HA -0.24 0.01 0.35 -0.75 4.29 3.66 1z0hA1 GLU 1163 HB2 -0.11 0.23 0.22 -0.04 2.09 2.39 1z0hA1 GLU 1163 HB3 -0.14 -0.07 0.16 -0.04 1.99 1.91 1z0hA1 GLU 1163 HG2 -0.11 -0.00 -0.45 -0.04 2.34 1.74 1z0hA1 GLU 1163 HG3 -0.08 -0.02 -0.06 -0.04 2.34 2.13 1z0hA1 ASP 1164 H -0.15 0.42 -0.18 -0.55 8.40 7.94 1z0hA1 ASP 1164 HA -0.08 0.02 0.49 -0.75 4.63 4.30 1z0hA1 ASP 1164 HB2 -0.06 0.11 0.14 -0.04 2.71 2.86 1z0hA1 ASP 1164 HB3 0.08 -0.03 -0.05 -0.04 2.70 2.66 1z0hA1 TYR 1165 H 0.05 0.11 0.26 -0.55 8.29 8.16 1z0hA1 TYR 1165 HA -0.07 0.30 1.03 -0.75 4.56 5.05 1z0hA1 TYR 1165 HB2 -0.08 -0.13 0.27 -0.04 3.06 3.07 1z0hA1 TYR 1165 HB3 -0.11 -0.02 0.10 -0.04 2.98 2.91 1z0hA1 TYR 1165 HD2 -0.05 -0.01 -0.04 -0.04 7.15 7.01 1z0hA1 TYR 1165 HE2 -0.03 0.01 -0.05 -0.04 6.85 6.74 1z0hA1 ILE 1166 H -0.03 0.92 0.42 -0.55 8.25 9.01 1z0hA1 ILE 1166 HA -0.07 0.11 1.13 -0.75 4.18 4.59 1z0hA1 ILE 1166 HB 0.06 0.05 0.08 -0.04 1.89 2.04 1z0hA1 ILE 1166 HG12 -0.08 0.09 -0.16 -0.04 1.49 1.30 1z0hA1 ILE 1166 HG13 -0.03 -0.04 -0.58 -0.04 1.21 0.51 1z0hA1 ILE 1166 HG23 0.04 0.01 -0.38 -0.04 0.93 0.56 1z0hA1 ILE 1166 HD13 -0.09 -0.01 -0.21 -0.04 0.88 0.53 1z0hA1 TYR 1167 H 0.08 0.61 0.31 -0.55 8.29 8.75 1z0hA1 TYR 1167 HA -0.02 0.27 0.89 -0.75 4.56 4.94 1z0hA1 TYR 1167 HB2 0.01 -0.05 0.08 -0.04 3.06 3.06 1z0hA1 TYR 1167 HB3 -0.03 0.02 -0.03 -0.04 2.98 2.89 1z0hA1 TYR 1167 HD2 -0.00 0.17 0.00 -0.04 7.15 7.28 1z0hA1 TYR 1167 HE2 0.03 -0.03 -0.12 -0.04 6.85 6.69 1z0hA1 LEU 1168 H 0.08 0.29 0.13 -0.55 8.37 8.32 1z0hA1 LEU 1168 HA 0.11 0.14 0.97 -0.75 4.35 4.82 1z0hA1 LEU 1168 HB2 0.02 -0.03 -0.02 -0.04 1.64 1.57 1z0hA1 LEU 1168 HB3 0.08 0.00 0.17 -0.04 1.64 1.85 1z0hA1 LEU 1168 HG 0.31 0.05 -0.25 -0.04 1.64 1.71 1z0hA1 LEU 1168 HD13 0.14 0.01 -0.08 -0.04 0.93 0.96 1z0hA1 LEU 1168 HD23 -0.08 -0.01 -0.11 -0.04 0.89 0.64 1z0hA1 ASP 1169 H 0.12 0.49 0.26 -0.55 8.40 8.73 1z0hA1 ASP 1169 HA 0.10 0.13 1.03 -0.75 4.63 5.13 1z0hA1 ASP 1169 HB2 -0.09 -0.00 0.03 -0.04 2.71 2.61 1z0hA1 ASP 1169 HB3 -0.21 0.12 0.15 -0.04 2.70 2.72 1z0hA1 PHE 1170 H -0.35 0.60 0.21 -0.55 8.34 8.24 1z0hA1 PHE 1170 HA -0.32 0.18 0.64 -0.75 4.62 4.37 1z0hA1 PHE 1170 HB2 -0.70 0.01 -0.22 -0.04 3.15 2.20 1z0hA1 PHE 1170 HB3 -0.73 0.05 -0.33 -0.04 3.06 2.01 1z0hA1 PHE 1170 HD2 -0.14 0.07 -0.43 -0.04 7.28 6.74 1z0hA1 PHE 1170 HE2 -0.08 0.04 -0.26 -0.04 7.38 7.05 1z0hA1 PHE 1170 HZ 0.15 0.03 -0.22 -0.04 7.32 7.24 1z0hA1 PHE 1171 H 0.02 0.53 0.22 -0.55 8.34 8.57 1z0hA1 PHE 1171 HA -0.22 0.31 0.80 -0.75 4.62 4.76 1z0hA1 PHE 1171 HB2 -0.08 -0.02 0.15 -0.04 3.15 3.17 1z0hA1 PHE 1171 HB3 -0.10 -0.16 -0.11 -0.04 3.06 2.65 1z0hA1 PHE 1171 HD2 -0.06 0.07 -0.28 -0.04 7.28 6.96 1z0hA1 PHE 1171 HE2 -0.03 0.02 -0.18 -0.04 7.38 7.14 1z0hA1 PHE 1171 HZ -0.03 0.02 -0.14 -0.04 7.32 7.13 1z0hA1 ASN 1172 H -0.29 0.93 0.19 -0.55 8.53 8.82 1z0hA1 ASN 1172 HA -0.24 0.11 0.81 -0.75 4.76 4.69 1z0hA1 ASN 1172 HB2 -1.38 0.00 -0.05 -0.04 2.88 1.41 1z0hA1 ASN 1172 HB3 -1.20 -0.00 0.15 -0.04 2.79 1.70 1z0hA1 ASN 1172 HD21 -1.01 0.01 -0.04 -0.04 7.03 5.94 1z0hA1 ASN 1172 HD22 -3.54 -0.00 -0.07 -0.04 7.74 4.08 1z0hA1 LEU 1173 H -0.06 0.21 -0.12 -0.55 8.37 7.86 1z0hA1 LEU 1173 HA -0.03 0.02 0.33 -0.75 4.35 3.91 1z0hA1 LEU 1173 HB2 -0.07 0.16 -0.01 -0.04 1.64 1.68 1z0hA1 LEU 1173 HB3 -0.03 0.02 0.15 -0.04 1.64 1.74 1z0hA1 LEU 1173 HG -0.03 0.01 0.03 -0.04 1.64 1.60 1z0hA1 LEU 1173 HD13 -0.10 0.00 -0.10 -0.04 0.93 0.68 1z0hA1 LEU 1173 HD23 -0.03 0.01 -0.01 -0.04 0.89 0.81 1z0hA1 ASN 1174 H 0.00 0.08 -0.11 -0.55 8.53 7.95 1z0hA1 ASN 1174 HA -0.03 0.00 0.29 -0.75 4.76 4.26 1z0hA1 ASN 1174 HB2 0.01 0.35 0.25 -0.04 2.88 3.45 1z0hA1 ASN 1174 HB3 0.01 -0.03 0.06 -0.04 2.79 2.79 1z0hA1 ASN 1174 HD21 -0.02 -0.02 -0.07 -0.04 7.03 6.87 1z0hA1 ASN 1174 HD22 -0.01 0.04 -0.06 -0.04 7.74 7.67 1z0hA1 GLN 1175 H 0.03 0.45 -0.84 -0.55 8.47 7.57 1z0hA1 GLN 1175 HA 0.14 0.12 0.68 -0.75 4.36 4.55 1z0hA1 GLN 1175 HB2 0.11 0.11 0.06 -0.04 2.15 2.39 1z0hA1 GLN 1175 HB3 0.31 -0.03 -0.04 -0.04 2.02 2.23 1z0hA1 GLN 1175 HG2 0.12 -0.02 0.00 -0.04 2.40 2.46 1z0hA1 GLN 1175 HG3 0.09 0.10 0.01 -0.04 2.39 2.55 1z0hA1 GLN 1175 HE21 0.13 -0.05 0.02 -0.04 6.97 7.04 1z0hA1 GLN 1175 HE22 0.08 0.07 0.06 -0.04 7.69 7.85 1z0hA1 GLU 1176 H 0.11 0.18 0.12 -0.55 8.60 8.46 1z0hA1 GLU 1176 HA -0.34 0.16 0.75 -0.75 4.29 4.11 1z0hA1 GLU 1176 HB2 -0.04 0.01 0.01 -0.04 2.09 2.03 1z0hA1 GLU 1176 HB3 -0.05 -0.03 0.18 -0.04 1.99 2.05 1z0hA1 GLU 1176 HG2 -0.23 0.10 -0.18 -0.04 2.34 1.98 1z0hA1 GLU 1176 HG3 -0.69 -0.02 -0.14 -0.04 2.34 1.45 1z0hA1 TRP 1177 H -0.39 0.59 0.31 -0.55 7.97 7.93 1z0hA1 TRP 1177 HA -0.24 0.04 0.72 -0.75 4.62 4.38 1z0hA1 TRP 1177 HB2 -1.48 0.03 -0.03 -0.04 3.23 1.71 1z0hA1 TRP 1177 HB3 -0.40 0.08 -0.04 -0.04 3.23 2.83 1z0hA1 TRP 1177 HD1 -0.21 -0.14 -0.68 -0.04 7.22 6.16 1z0hA1 TRP 1177 HE1 -0.06 0.01 -0.08 -0.04 10.20 10.03 1z0hA1 TRP 1177 HE3 0.11 0.01 -0.37 -0.04 7.59 7.30 1z0hA1 TRP 1177 HZ2 -0.00 -0.00 -0.03 -0.04 7.44 7.37 1z0hA1 TRP 1177 HZ3 0.02 0.14 -0.07 -0.04 7.13 7.17 1z0hA1 TRP 1177 HH2 0.02 0.00 -0.02 -0.04 7.19 7.14 1z0hA1 ARG 1178 H 0.06 0.80 0.31 -0.55 8.46 9.08 1z0hA1 ARG 1178 HA -0.01 0.14 1.02 -0.75 4.34 4.74 1z0hA1 ARG 1178 HB2 -0.21 -0.05 -0.22 -0.04 1.90 1.38 1z0hA1 ARG 1178 HB3 -0.36 0.04 -0.06 -0.04 1.80 1.38 1z0hA1 ARG 1178 HG2 -1.05 0.14 -0.16 -0.04 1.67 0.55 1z0hA1 ARG 1178 HG3 -0.27 -0.02 0.04 -0.04 1.67 1.38 1z0hA1 ARG 1178 HD2 -0.48 -0.03 -0.04 -0.04 3.22 2.63 1z0hA1 ARG 1178 HD3 -0.50 0.07 0.03 -0.04 3.22 2.78 1z0hA1 VAL 1179 H -0.04 0.54 0.32 -0.55 8.24 8.52 1z0hA1 VAL 1179 HA 0.20 0.10 0.77 -0.75 4.13 4.44 1z0hA1 VAL 1179 HB 0.14 -0.04 0.16 -0.04 2.12 2.34 1z0hA1 VAL 1179 HG13 0.18 -0.02 -0.17 -0.04 0.97 0.92 1z0hA1 VAL 1179 HG23 0.43 0.03 -0.16 -0.04 0.95 1.21 1z0hA1 TYR 1180 H 0.22 0.49 0.29 -0.55 8.29 8.74 1z0hA1 TYR 1180 HA 0.07 0.26 0.98 -0.75 4.56 5.12 1z0hA1 TYR 1180 HB2 -0.27 -0.06 -0.05 -0.04 3.06 2.64 1z0hA1 TYR 1180 HB3 -0.54 0.07 0.04 -0.04 2.98 2.51 1z0hA1 TYR 1180 HD2 -0.30 0.18 -0.19 -0.04 7.15 6.80 1z0hA1 TYR 1180 HE2 -0.18 0.08 -0.09 -0.04 6.85 6.63 1z0hA1 THR 1181 H -0.17 0.57 0.26 -0.55 8.28 8.39 1z0hA1 THR 1181 HA -0.15 0.09 0.79 -0.75 4.39 4.37 1z0hA1 THR 1181 HB -1.04 -0.01 -0.15 -0.04 4.32 3.08 1z0hA1 THR 1181 HG23 -0.47 -0.00 -0.17 -0.04 1.22 0.54 1z0hA1 TYR 1182 H 0.14 0.16 0.08 -0.55 8.29 8.11 1z0hA1 TYR 1182 HA -0.04 0.15 0.70 -0.75 4.56 4.62 1z0hA1 TYR 1182 HB2 -0.03 0.00 0.10 -0.04 3.06 3.10 1z0hA1 TYR 1182 HB3 0.00 -0.03 0.10 -0.04 2.98 3.01 1z0hA1 TYR 1182 HD2 -0.06 0.01 0.04 -0.04 7.15 7.09 1z0hA1 TYR 1182 HE2 -0.20 0.00 -0.03 -0.04 6.85 6.58 1z0hA1 LYS 1183 H -0.31 0.46 0.27 -0.55 8.42 8.29 1z0hA1 LYS 1183 HA -0.43 0.06 0.34 -0.75 4.32 3.53 1z0hA1 LYS 1183 HB2 -1.07 0.04 -0.01 -0.04 1.87 0.80 1z0hA1 LYS 1183 HB3 -0.96 -0.01 0.04 -0.04 1.79 0.82 1z0hA1 LYS 1183 HG2 -2.19 -0.03 -0.14 -0.04 1.46 -0.94 1z0hA1 LYS 1183 HG3 -0.66 -0.04 -0.37 -0.04 1.46 0.35 1z0hA1 LYS 1183 HD2 -0.43 0.14 -0.10 -0.04 1.69 1.25 1z0hA1 LYS 1183 HD3 -0.54 -0.04 -0.06 -0.04 1.68 1.00 1z0hA1 LYS 1183 HE2 -0.40 -0.04 -0.22 -0.04 2.99 2.28 1z0hA1 LYS 1183 HE3 -0.26 0.01 -0.38 -0.04 2.99 2.32 1z0hA1 TYR 1184 H 0.12 0.04 -0.51 -0.55 8.29 7.39 1z0hA1 TYR 1184 HA 0.11 0.21 0.89 -0.75 4.56 5.01 1z0hA1 TYR 1184 HB2 0.06 -0.03 0.04 -0.04 3.06 3.09 1z0hA1 TYR 1184 HB3 0.04 -0.00 -0.06 -0.04 2.98 2.92 1z0hA1 TYR 1184 HD2 0.02 0.03 -0.03 -0.04 7.15 7.12 1z0hA1 TYR 1184 HE2 -0.01 0.00 -0.03 -0.04 6.85 6.76 1z0hA1 PHE 1185 H 0.02 0.37 0.06 -0.55 8.34 8.24 1z0hA1 PHE 1185 HA 0.04 0.02 0.50 -0.75 4.62 4.43 1z0hA1 PHE 1185 HB2 0.04 -0.10 -0.01 -0.04 3.15 3.04 1z0hA1 PHE 1185 HB3 0.05 0.11 -0.09 -0.04 3.06 3.09 1z0hA1 PHE 1185 HD2 0.07 -0.01 -0.43 -0.04 7.28 6.87 1z0hA1 PHE 1185 HE2 0.07 0.02 -0.23 -0.04 7.38 7.21 1z0hA1 PHE 1185 HZ 0.09 0.02 -0.24 -0.04 7.32 7.15 1z0hA1 LYS 1186 H 0.10 0.08 0.12 -0.55 8.42 8.17 1z0hA1 LYS 1186 HA -0.08 0.26 0.82 -0.75 4.32 4.56 1z0hA1 LYS 1186 HB2 0.02 -0.02 0.05 -0.04 1.87 1.88 1z0hA1 LYS 1186 HB3 -0.01 0.03 0.07 -0.04 1.79 1.84 1z0hA1 LYS 1186 HG2 -0.02 0.06 -0.11 -0.04 1.46 1.36 1z0hA1 LYS 1186 HG3 0.02 -0.08 -0.08 -0.04 1.46 1.28 1z0hA1 LYS 1186 HD2 -0.00 -0.01 -0.01 -0.04 1.69 1.63 1z0hA1 LYS 1186 HD3 -0.01 0.02 -0.01 -0.04 1.68 1.63 1z0hA1 LYS 1186 HE2 -0.03 0.02 -0.05 -0.04 2.99 2.89 1z0hA1 LYS 1186 HE3 -0.02 -0.01 -0.05 -0.04 2.99 2.87 1z0hA1 LYS 1187 H 0.15 -0.02 -0.02 -0.55 8.42 7.97 1z0hA1 LYS 1187 HA 0.03 0.09 0.50 -0.75 4.32 4.19 1z0hA1 LYS 1187 HB2 0.16 0.17 0.05 -0.04 1.87 2.21 1z0hA1 LYS 1187 HB3 0.04 -0.07 0.20 -0.04 1.79 1.91 1z0hA1 LYS 1187 HG2 0.05 0.02 0.07 -0.04 1.46 1.56 1z0hA1 LYS 1187 HG3 0.08 -0.11 0.09 -0.04 1.46 1.48 1z0hA1 LYS 1187 HD2 0.13 0.02 0.11 -0.04 1.69 1.91 1z0hA1 LYS 1187 HD3 0.09 0.00 0.09 -0.04 1.68 1.82 1z0hA1 LYS 1187 HE2 0.06 0.01 0.05 -0.04 2.99 3.07 1z0hA1 LYS 1187 HE3 0.05 -0.03 0.05 -0.04 2.99 3.03 1z0hA1 GLU 1188 H -0.02 0.13 0.19 -0.55 8.60 8.35 1z0hA1 GLU 1188 HA 0.02 0.13 0.43 -0.75 4.29 4.11 1z0hA1 GLU 1188 HB2 -0.06 0.05 0.17 -0.04 2.09 2.21 1z0hA1 GLU 1188 HB3 -0.17 -0.00 0.09 -0.04 1.99 1.87 1z0hA1 GLU 1188 HG2 -0.14 0.03 0.04 -0.04 2.34 2.23 1z0hA1 GLU 1188 HG3 -0.00 -0.22 0.10 -0.04 2.34 2.18 1z0hA1 GLU 1189 H -0.02 0.12 -0.24 -0.55 8.60 7.92 1z0hA1 GLU 1189 HA 0.15 0.21 0.73 -0.75 4.29 4.64 1z0hA1 GLU 1189 HB2 -0.11 0.12 0.00 -0.04 2.09 2.06 1z0hA1 GLU 1189 HB3 -0.25 -0.08 -0.04 -0.04 1.99 1.59 1z0hA1 GLU 1189 HG2 -0.49 -0.02 -0.04 -0.04 2.34 1.75 1z0hA1 GLU 1189 HG3 -1.25 0.01 -0.15 -0.04 2.34 0.91 1z0hA1 GLU 1190 H 0.01 0.48 0.24 -0.55 8.60 8.79 1z0hA1 GLU 1190 HA 0.27 0.12 0.72 -0.75 4.29 4.63 1z0hA1 GLU 1190 HB2 -0.05 -0.02 0.13 -0.04 2.09 2.12 1z0hA1 GLU 1190 HB3 0.10 -0.03 -0.22 -0.04 1.99 1.79 1z0hA1 GLU 1190 HG2 -1.58 0.03 -0.14 -0.04 2.34 0.60 1z0hA1 GLU 1190 HG3 -0.68 -0.07 -0.17 -0.04 2.34 1.38 1z0hA1 LYS 1191 H -0.11 0.12 0.14 -0.55 8.42 8.01 1z0hA1 LYS 1191 HA -0.02 0.11 0.66 -0.75 4.32 4.32 1z0hA1 LYS 1191 HB2 -0.14 -0.02 0.12 -0.04 1.87 1.79 1z0hA1 LYS 1191 HB3 -0.06 0.12 0.10 -0.04 1.79 1.90 1z0hA1 LYS 1191 HG2 -0.85 0.02 -0.04 -0.04 1.46 0.54 1z0hA1 LYS 1191 HG3 -0.83 -0.10 0.02 -0.04 1.46 0.50 1z0hA1 LYS 1191 HD2 -0.41 0.01 0.01 -0.04 1.69 1.26 1z0hA1 LYS 1191 HD3 -0.56 0.02 -0.02 -0.04 1.68 1.07 1z0hA1 LYS 1191 HE2 -2.26 0.00 -0.05 -0.04 2.99 0.64 1z0hA1 LYS 1191 HE3 -0.98 -0.03 -0.02 -0.04 2.99 1.91 1z0hA1 LEU 1192 H 0.00 0.49 0.42 -0.55 8.37 8.73 1z0hA1 LEU 1192 HA -0.02 0.04 0.53 -0.75 4.35 4.14 1z0hA1 LEU 1192 HB2 -0.18 -0.01 0.06 -0.04 1.64 1.47 1z0hA1 LEU 1192 HB3 -0.07 0.07 0.00 -0.04 1.64 1.60 1z0hA1 LEU 1192 HG -0.24 -0.13 -0.27 -0.04 1.64 0.97 1z0hA1 LEU 1192 HD13 -1.10 -0.01 -0.17 -0.04 0.93 -0.40 1z0hA1 LEU 1192 HD23 -0.05 0.01 -0.20 -0.04 0.89 0.60 1z0hA1 PHE 1193 H 0.22 0.67 0.23 -0.55 8.34 8.91 1z0hA1 PHE 1193 HA 0.18 0.30 0.96 -0.75 4.62 5.31 1z0hA1 PHE 1193 HB2 0.32 -0.03 -0.07 -0.04 3.15 3.34 1z0hA1 PHE 1193 HB3 -0.02 -0.09 -0.07 -0.04 3.06 2.85 1z0hA1 PHE 1193 HD2 -0.05 -0.01 -0.12 -0.04 7.28 7.05 1z0hA1 PHE 1193 HE2 0.14 -0.04 -0.09 -0.04 7.38 7.34 1z0hA1 PHE 1193 HZ 0.08 -0.04 -0.07 -0.04 7.32 7.25 1z0hA1 LEU 1194 H -0.11 0.82 0.26 -0.55 8.37 8.79 1z0hA1 LEU 1194 HA 0.26 0.27 0.90 -0.75 4.35 5.03 1z0hA1 LEU 1194 HB2 0.16 -0.01 -0.19 -0.04 1.64 1.56 1z0hA1 LEU 1194 HB3 0.53 -0.02 -0.15 -0.04 1.64 1.96 1z0hA1 LEU 1194 HG 0.24 0.05 -0.20 -0.04 1.64 1.69 1z0hA1 LEU 1194 HD13 0.27 0.01 -0.38 -0.04 0.93 0.79 1z0hA1 LEU 1194 HD23 -0.12 -0.03 -0.30 -0.04 0.89 0.39 1z0hA1 ALA 1195 H 0.24 0.58 0.32 -0.55 8.40 8.99 1z0hA1 ALA 1195 HA -0.67 0.07 0.54 -0.75 4.34 3.52 1z0hA1 ALA 1195 HB3 -0.35 0.02 -0.09 -0.04 1.41 0.95 1z0hA1 PRO 1196 HA -0.89 0.06 0.47 -0.51 4.44 3.57 1z0hA1 PRO 1196 HB2 -0.35 0.01 -0.06 -0.04 2.28 1.84 1z0hA1 PRO 1196 HB3 -0.42 0.04 0.08 -0.04 2.02 1.67 1z0hA1 PRO 1196 HG2 -0.55 0.04 0.04 -0.04 2.03 1.53 1z0hA1 PRO 1196 HG3 -1.58 0.04 0.04 -0.04 2.03 0.48 1z0hA1 PRO 1196 HD2 -0.57 0.10 0.15 -0.04 3.68 3.33 1z0hA1 PRO 1196 HD3 -1.70 0.14 0.19 -0.04 3.65 2.24 1z0hA1 ILE 1197 H -0.17 0.18 0.18 -0.55 8.25 7.89 1z0hA1 ILE 1197 HA 0.01 0.08 0.49 -0.75 4.18 4.01 1z0hA1 ILE 1197 HB -0.07 -0.04 0.21 -0.04 1.89 1.95 1z0hA1 ILE 1197 HG12 -0.13 -0.01 -0.08 -0.04 1.49 1.22 1z0hA1 ILE 1197 HG13 -0.10 0.14 0.13 -0.04 1.21 1.34 1z0hA1 ILE 1197 HG23 -0.09 -0.01 -0.13 -0.04 0.93 0.66 1z0hA1 ILE 1197 HD13 -0.08 -0.02 -0.02 -0.04 0.88 0.72 1z0hA1 SER 1198 H 0.16 0.30 0.26 -0.55 8.46 8.63 1z0hA1 SER 1198 HA 0.00 0.16 0.77 -0.75 4.49 4.66 1z0hA1 SER 1198 HB2 -0.02 0.07 -0.11 -0.04 3.95 3.84 1z0hA1 SER 1198 HB3 0.04 0.13 -0.06 -0.04 3.93 4.00 1z0hA1 ASP 1199 H 0.01 0.14 0.11 -0.55 8.40 8.11 1z0hA1 ASP 1199 HA 0.09 0.25 0.75 -0.75 4.63 4.96 1z0hA1 ASP 1199 HB2 0.02 0.02 0.02 -0.04 2.71 2.73 1z0hA1 ASP 1199 HB3 0.00 -0.03 0.06 -0.04 2.70 2.70 1z0hA1 SER 1200 H 0.02 0.01 -0.27 -0.55 8.46 7.67 1z0hA1 SER 1200 HA -0.18 -0.01 0.35 -0.75 4.49 3.90 1z0hA1 SER 1200 HB2 -0.37 0.04 0.07 -0.04 3.95 3.65 1z0hA1 SER 1200 HB3 -0.66 0.10 -0.01 -0.04 3.93 3.33 1z0hA1 ASP 1201 H -0.20 0.10 0.18 -0.55 8.40 7.94 1z0hA1 ASP 1201 HA -0.09 0.27 0.74 -0.75 4.63 4.79 1z0hA1 ASP 1201 HB2 -0.07 0.01 0.13 -0.04 2.71 2.74 1z0hA1 ASP 1201 HB3 -0.10 -0.02 0.07 -0.04 2.70 2.61 1z0hA1 GLU 1202 H -0.57 -0.01 -0.31 -0.55 8.60 7.17 1z0hA1 GLU 1202 HA -0.26 0.18 0.70 -0.75 4.29 4.16 1z0hA1 GLU 1202 HB2 -0.85 -0.01 0.01 -0.04 2.09 1.21 1z0hA1 GLU 1202 HB3 -0.43 0.01 0.09 -0.04 1.99 1.61 1z0hA1 GLU 1202 HG2 -0.28 -0.09 -0.03 -0.04 2.34 1.90 1z0hA1 GLU 1202 HG3 -0.24 0.03 0.01 -0.04 2.34 2.10 1z0hA1 PHE 1203 H -0.36 0.29 -0.26 -0.55 8.34 7.46 1z0hA1 PHE 1203 HA -0.48 -0.09 0.68 -0.75 4.62 3.98 1z0hA1 PHE 1203 HB2 -0.29 0.31 0.02 -0.04 3.15 3.15 1z0hA1 PHE 1203 HB3 -0.76 -0.05 -0.12 -0.04 3.06 2.09 1z0hA1 PHE 1203 HD2 -0.73 0.05 -0.17 -0.04 7.28 6.38 1z0hA1 PHE 1203 HE2 -0.37 0.03 -0.15 -0.04 7.38 6.85 1z0hA1 PHE 1203 HZ -0.53 -0.02 -0.11 -0.04 7.32 6.62 1z0hA1 TYR 1204 H -0.04 0.44 0.18 -0.55 8.29 8.32 1z0hA1 TYR 1204 HA 0.17 0.10 0.70 -0.75 4.56 4.77 1z0hA1 TYR 1204 HB2 -0.07 -0.04 0.03 -0.04 3.06 2.95 1z0hA1 TYR 1204 HB3 0.24 0.03 0.04 -0.04 2.98 3.25 1z0hA1 TYR 1204 HD2 0.04 0.00 -0.07 -0.04 7.15 7.08 1z0hA1 TYR 1204 HE2 0.02 0.06 0.02 -0.04 6.85 6.90 1z0hA1 ASN 1205 H 0.38 0.04 0.25 -0.55 8.53 8.65 1z0hA1 ASN 1205 HA 0.24 0.27 0.96 -0.75 4.76 5.48 1z0hA1 ASN 1205 HB2 -0.05 -0.02 0.10 -0.04 2.88 2.87 1z0hA1 ASN 1205 HB3 0.32 0.06 -0.09 -0.04 2.79 3.04 1z0hA1 ASN 1205 HD21 0.20 -0.02 0.03 -0.04 7.03 7.19 1z0hA1 ASN 1205 HD22 0.30 0.09 -0.02 -0.04 7.74 8.07 1z0hA1 THR 1206 H 0.34 -0.02 0.18 -0.55 8.28 8.23 1z0hA1 THR 1206 HA 0.22 0.29 0.93 -0.75 4.39 5.07 1z0hA1 THR 1206 HB 0.15 -0.00 0.15 -0.04 4.32 4.58 1z0hA1 THR 1206 HG23 0.08 -0.01 -0.13 -0.04 1.22 1.13 1z0hA1 ILE 1207 H 0.00 0.63 0.37 -0.55 8.25 8.71 1z0hA1 ILE 1207 HA -0.28 0.29 0.96 -0.75 4.18 4.39 1z0hA1 ILE 1207 HB -0.16 -0.05 -0.08 -0.04 1.89 1.55 1z0hA1 ILE 1207 HG12 -1.40 -0.00 -0.30 -0.04 1.49 -0.26 1z0hA1 ILE 1207 HG13 -0.39 0.03 -0.41 -0.04 1.21 0.40 1z0hA1 ILE 1207 HG23 -0.27 -0.01 -0.28 -0.04 0.93 0.33 1z0hA1 ILE 1207 HD13 -0.19 -0.03 -0.12 -0.04 0.88 0.51 1z0hA1 GLN 1208 H -0.13 0.68 0.32 -0.55 8.47 8.80 1z0hA1 GLN 1208 HA -0.31 0.31 1.04 -0.75 4.36 4.65 1z0hA1 GLN 1208 HB2 -0.27 -0.03 -0.04 -0.04 2.15 1.77 1z0hA1 GLN 1208 HB3 -0.13 -0.06 0.11 -0.04 2.02 1.90 1z0hA1 GLN 1208 HG2 -0.29 -0.04 -0.34 -0.04 2.40 1.70 1z0hA1 GLN 1208 HG3 -0.68 0.21 -0.19 -0.04 2.39 1.69 1z0hA1 GLN 1208 HE21 -0.11 -0.03 0.01 -0.04 6.97 6.80 1z0hA1 GLN 1208 HE22 -0.59 0.32 0.04 -0.04 7.69 7.42 1z0hA1 ILE 1209 H -0.20 0.46 0.15 -0.55 8.25 8.11 1z0hA1 ILE 1209 HA -0.11 0.18 0.82 -0.75 4.18 4.32 1z0hA1 ILE 1209 HB -0.12 -0.06 -0.02 -0.04 1.89 1.65 1z0hA1 ILE 1209 HG12 -0.10 0.01 -0.18 -0.04 1.49 1.18 1z0hA1 ILE 1209 HG13 -0.04 0.09 0.05 -0.04 1.21 1.27 1z0hA1 ILE 1209 HG23 -0.16 0.02 0.03 -0.04 0.93 0.78 1z0hA1 ILE 1209 HD13 -0.10 -0.01 -0.13 -0.04 0.88 0.59 1z0hA1 LYS 1210 H -0.13 0.73 0.44 -0.55 8.42 8.91 1z0hA1 LYS 1210 HA -0.24 0.14 1.04 -0.75 4.32 4.50 1z0hA1 LYS 1210 HB2 -0.66 -0.07 -0.08 -0.04 1.87 1.01 1z0hA1 LYS 1210 HB3 -0.55 0.01 0.04 -0.04 1.79 1.25 1z0hA1 LYS 1210 HG2 -0.16 0.13 -0.18 -0.04 1.46 1.20 1z0hA1 LYS 1210 HG3 -0.17 -0.05 -0.13 -0.04 1.46 1.07 1z0hA1 LYS 1210 HD2 -0.22 0.04 -0.28 -0.04 1.69 1.18 1z0hA1 LYS 1210 HD3 -0.13 0.01 -0.19 -0.04 1.68 1.32 1z0hA1 LYS 1210 HE2 -0.05 -0.02 -0.09 -0.04 2.99 2.78 1z0hA1 LYS 1210 HE3 -0.30 0.00 -0.07 -0.04 2.99 2.58 1z0hA1 GLU 1211 H -0.40 0.27 0.04 -0.55 8.60 7.96 1z0hA1 GLU 1211 HA -0.19 0.07 0.78 -0.75 4.29 4.19 1z0hA1 GLU 1211 HB2 -0.14 0.04 -0.06 -0.04 2.09 1.89 1z0hA1 GLU 1211 HB3 -0.17 0.00 0.15 -0.04 1.99 1.93 1z0hA1 GLU 1211 HG2 -0.10 0.06 0.01 -0.04 2.34 2.27 1z0hA1 GLU 1211 HG3 -0.13 0.13 -0.15 -0.04 2.34 2.15 1z0hA1 TYR 1212 H -0.27 0.10 0.02 -0.55 8.29 7.58 1z0hA1 TYR 1212 HA -0.23 0.18 0.65 -0.75 4.56 4.40 1z0hA1 TYR 1212 HB2 -0.72 -0.05 0.01 -0.04 3.06 2.27 1z0hA1 TYR 1212 HB3 -0.48 0.14 0.04 -0.04 2.98 2.65 1z0hA1 TYR 1212 HD2 -0.08 0.04 -0.06 -0.04 7.15 7.02 1z0hA1 TYR 1212 HE2 -0.01 -0.01 -0.11 -0.04 6.85 6.68 1z0hA1 ASP 1213 H -0.38 0.00 -0.12 -0.55 8.40 7.36 1z0hA1 ASP 1213 HA -0.24 -0.02 0.47 -0.75 4.63 4.08 1z0hA1 ASP 1213 HB2 -0.07 -0.07 0.01 -0.04 2.71 2.54 1z0hA1 ASP 1213 HB3 -0.04 0.16 0.00 -0.04 2.70 2.77 1z0hA1 GLU 1214 H 0.03 0.03 0.22 -0.55 8.60 8.34 1z0hA1 GLU 1214 HA -0.01 0.19 0.59 -0.75 4.29 4.30 1z0hA1 GLU 1214 HB2 0.04 -0.09 0.12 -0.04 2.09 2.11 1z0hA1 GLU 1214 HB3 0.01 -0.01 0.08 -0.04 1.99 2.03 1z0hA1 GLU 1214 HG2 0.00 0.04 0.01 -0.04 2.34 2.35 1z0hA1 GLU 1214 HG3 0.01 0.11 0.04 -0.04 2.34 2.46 1z0hA1 GLN 1215 H 0.05 -0.06 -0.10 -0.55 8.47 7.81 1z0hA1 GLN 1215 HA 0.02 0.18 0.70 -0.75 4.36 4.51 1z0hA1 GLN 1215 HB2 0.07 -0.01 -0.03 -0.04 2.15 2.13 1z0hA1 GLN 1215 HB3 0.07 0.08 0.07 -0.04 2.02 2.20 1z0hA1 GLN 1215 HG2 0.06 -0.16 -0.02 -0.04 2.40 2.24 1z0hA1 GLN 1215 HG3 0.06 0.00 0.00 -0.04 2.39 2.41 1z0hA1 GLN 1215 HE21 0.03 0.01 -0.05 -0.04 6.97 6.91 1z0hA1 GLN 1215 HE22 0.04 -0.07 -0.05 -0.04 7.69 7.56 1z0hA1 PRO 1216 HA -0.04 0.09 0.38 -0.51 4.44 4.36 1z0hA1 PRO 1216 HB2 -0.05 -0.04 0.04 -0.04 2.28 2.20 1z0hA1 PRO 1216 HB3 -0.23 0.10 0.03 -0.04 2.02 1.87 1z0hA1 PRO 1216 HG2 -0.53 -0.00 -0.04 -0.04 2.03 1.42 1z0hA1 PRO 1216 HG3 -0.21 0.11 0.05 -0.04 2.03 1.94 1z0hA1 PRO 1216 HD2 0.08 0.05 0.16 -0.04 3.68 3.93 1z0hA1 PRO 1216 HD3 -0.01 0.12 0.21 -0.04 3.65 3.93 1z0hA1 THR 1217 H 0.00 0.36 0.24 -0.55 8.28 8.34 1z0hA1 THR 1217 HA -0.11 0.09 0.58 -0.75 4.39 4.19 1z0hA1 THR 1217 HB 0.03 0.13 -0.22 -0.04 4.32 4.22 1z0hA1 THR 1217 HG23 0.03 0.05 -0.09 -0.04 1.22 1.17 1z0hA1 TYR 1218 H -0.01 0.11 0.14 -0.55 8.29 7.98 1z0hA1 TYR 1218 HA 0.00 0.21 0.85 -0.75 4.56 4.86 1z0hA1 TYR 1218 HB2 -0.07 -0.05 -0.01 -0.04 3.06 2.89 1z0hA1 TYR 1218 HB3 -0.03 0.08 -0.06 -0.04 2.98 2.93 1z0hA1 TYR 1218 HD2 -0.08 0.16 -0.19 -0.04 7.15 6.99 1z0hA1 TYR 1218 HE2 0.10 0.08 -0.12 -0.04 6.85 6.87 1z0hA1 SER 1219 H 0.10 -0.06 -0.02 -0.55 8.46 7.93 1z0hA1 SER 1219 HA 0.14 0.34 0.68 -0.75 4.49 4.90 1z0hA1 SER 1219 HB2 0.09 -0.05 0.02 -0.04 3.95 3.98 1z0hA1 SER 1219 HB3 0.09 -0.03 0.02 -0.04 3.93 3.97 1z0hA1 CYS 1220 H 0.15 0.46 0.42 -0.55 8.50 8.99 1z0hA1 CYS 1220 HA 0.02 0.14 0.85 -0.75 4.58 4.83 1z0hA1 CYS 1220 HB2 0.01 0.12 0.23 -0.04 2.97 3.29 1z0hA1 CYS 1220 HB3 0.05 0.05 -0.07 -0.04 2.97 2.96 1z0hA1 GLN 1221 H -0.02 0.58 0.30 -0.55 8.47 8.78 1z0hA1 GLN 1221 HA 0.22 0.37 1.09 -0.75 4.36 5.28 1z0hA1 GLN 1221 HB2 0.07 -0.10 -0.05 -0.04 2.15 2.04 1z0hA1 GLN 1221 HB3 0.25 0.01 0.03 -0.04 2.02 2.27 1z0hA1 GLN 1221 HG2 0.48 -0.03 -0.12 -0.04 2.40 2.69 1z0hA1 GLN 1221 HG3 0.20 0.23 -0.16 -0.04 2.39 2.62 1z0hA1 GLN 1221 HE21 0.01 0.11 -0.26 -0.04 6.97 6.79 1z0hA1 GLN 1221 HE22 0.15 0.10 -0.31 -0.04 7.69 7.59 1z0hA1 LEU 1222 H 0.17 0.31 0.21 -0.55 8.37 8.50 1z0hA1 LEU 1222 HA -0.05 0.20 0.93 -0.75 4.35 4.68 1z0hA1 LEU 1222 HB2 -0.06 -0.05 0.17 -0.04 1.64 1.65 1z0hA1 LEU 1222 HB3 -0.16 0.02 -0.05 -0.04 1.64 1.41 1z0hA1 LEU 1222 HG 0.05 -0.05 -0.35 -0.04 1.64 1.25 1z0hA1 LEU 1222 HD13 -0.40 0.01 -0.13 -0.04 0.93 0.37 1z0hA1 LEU 1222 HD23 0.01 0.03 -0.18 -0.04 0.89 0.71 1z0hA1 LEU 1223 H -0.07 0.60 0.26 -0.55 8.37 8.61 1z0hA1 LEU 1223 HA 0.10 0.24 1.15 -0.75 4.35 5.09 1z0hA1 LEU 1223 HB2 0.14 -0.04 -0.10 -0.04 1.64 1.60 1z0hA1 LEU 1223 HB3 0.01 0.11 0.11 -0.04 1.64 1.83 1z0hA1 LEU 1223 HG 0.09 -0.04 -0.54 -0.04 1.64 1.10 1z0hA1 LEU 1223 HD13 0.16 0.05 -0.10 -0.04 0.93 0.99 1z0hA1 LEU 1223 HD23 0.10 0.00 -0.13 -0.04 0.89 0.82 1z0hA1 PHE 1224 H 0.26 0.66 0.35 -0.55 8.34 9.06 1z0hA1 PHE 1224 HA 0.05 0.28 0.91 -0.75 4.62 5.10 1z0hA1 PHE 1224 HB2 0.10 -0.05 0.12 -0.04 3.15 3.27 1z0hA1 PHE 1224 HB3 0.04 0.04 -0.08 -0.04 3.06 3.01 1z0hA1 PHE 1224 HD2 0.09 0.03 -0.20 -0.04 7.28 7.16 1z0hA1 PHE 1224 HE2 0.02 0.02 -0.34 -0.04 7.38 7.04 1z0hA1 PHE 1224 HZ -0.01 0.07 -0.42 -0.04 7.32 6.93 1z0hA1 LYS 1225 H 0.09 0.33 0.15 -0.55 8.42 8.43 1z0hA1 LYS 1225 HA 0.01 0.01 1.04 -0.75 4.32 4.63 1z0hA1 LYS 1225 HB2 0.08 0.03 -0.07 -0.04 1.87 1.86 1z0hA1 LYS 1225 HB3 0.03 0.01 -0.02 -0.04 1.79 1.77 1z0hA1 LYS 1225 HG2 0.07 -0.07 -0.18 -0.04 1.46 1.24 1z0hA1 LYS 1225 HG3 0.08 -0.04 -0.29 -0.04 1.46 1.16 1z0hA1 LYS 1225 HD2 0.07 0.03 -0.19 -0.04 1.69 1.56 1z0hA1 LYS 1225 HD3 0.07 -0.04 -0.12 -0.04 1.68 1.55 1z0hA1 LYS 1225 HE2 0.20 -0.10 -0.08 -0.04 2.99 2.97 1z0hA1 LYS 1225 HE3 0.15 0.17 -0.03 -0.04 2.99 3.24 1z0hA1 LYS 1226 H -0.08 0.60 0.22 -0.55 8.42 8.61 1z0hA1 LYS 1226 HA -0.51 0.05 0.40 -0.75 4.32 3.50 1z0hA1 LYS 1226 HB2 -0.03 0.08 0.17 -0.04 1.87 2.04 1z0hA1 LYS 1226 HB3 -0.02 -0.14 0.12 -0.04 1.79 1.72 1z0hA1 LYS 1226 HG2 0.11 0.04 0.07 -0.04 1.46 1.64 1z0hA1 LYS 1226 HG3 0.06 -0.01 0.03 -0.04 1.46 1.49 1z0hA1 LYS 1226 HD2 0.05 0.03 -0.40 -0.04 1.69 1.34 1z0hA1 LYS 1226 HD3 0.09 0.02 -0.04 -0.04 1.68 1.70 1z0hA1 LYS 1226 HE2 0.01 -0.08 -0.10 -0.04 2.99 2.79 1z0hA1 LYS 1226 HE3 0.03 -0.02 -0.09 -0.04 2.99 2.87 1z0hA1 ASP 1227 H -0.03 0.25 -0.13 -0.55 8.40 7.94 1z0hA1 ASP 1227 HA -0.02 0.17 0.43 -0.75 4.63 4.46 1z0hA1 ASP 1227 HB2 0.01 0.15 -0.31 -0.04 2.71 2.53 1z0hA1 ASP 1227 HB3 -0.02 -0.18 -0.07 -0.04 2.70 2.40 1z0hA1 GLU 1228 H -0.16 0.13 0.13 -0.55 8.60 8.16 1z0hA1 GLU 1228 HA -0.30 0.16 0.41 -0.75 4.29 3.80 1z0hA1 GLU 1228 HB2 -0.28 -0.07 0.14 -0.04 2.09 1.84 1z0hA1 GLU 1228 HB3 -0.61 0.08 0.04 -0.04 1.99 1.46 1z0hA1 GLU 1228 HG2 -1.58 0.06 0.03 -0.04 2.34 0.81 1z0hA1 GLU 1228 HG3 -0.41 -0.05 0.10 -0.04 2.34 1.94 1z0hA1 GLU 1229 H -0.07 -0.01 -0.04 -0.55 8.60 7.93 1z0hA1 GLU 1229 HA -0.00 0.19 0.55 -0.75 4.29 4.28 1z0hA1 GLU 1229 HB2 -0.02 -0.07 0.06 -0.04 2.09 2.01 1z0hA1 GLU 1229 HB3 -0.01 0.02 -0.01 -0.04 1.99 1.95 1z0hA1 GLU 1229 HG2 -0.01 0.06 0.02 -0.04 2.34 2.37 1z0hA1 GLU 1229 HG3 -0.04 -0.05 -0.02 -0.04 2.34 2.19 1z0hA1 SER 1230 H -0.01 -0.09 -0.43 -0.55 8.46 7.39 1z0hA1 SER 1230 HA 0.01 0.10 0.46 -0.75 4.49 4.31 1z0hA1 SER 1230 HB2 0.02 -0.09 0.11 -0.04 3.95 3.95 1z0hA1 SER 1230 HB3 0.01 0.02 0.02 -0.04 3.93 3.94 1z0hA1 THR 1231 H 0.02 0.09 0.14 -0.55 8.28 7.99 1z0hA1 THR 1231 HA 0.04 0.30 0.80 -0.75 4.39 4.77 1z0hA1 THR 1231 HB 0.03 0.03 0.14 -0.04 4.32 4.48 1z0hA1 THR 1231 HG23 0.02 0.03 -0.08 -0.04 1.22 1.15 1z0hA1 ASP 1232 H 0.02 -0.02 -0.08 -0.55 8.40 7.78 1z0hA1 ASP 1232 HA 0.03 0.16 0.64 -0.75 4.63 4.70 1z0hA1 ASP 1232 HB2 0.03 0.01 0.10 -0.04 2.71 2.80 1z0hA1 ASP 1232 HB3 0.02 -0.12 0.19 -0.04 2.70 2.75 1z0hA1 GLU 1233 H 0.04 0.26 0.14 -0.55 8.60 8.50 1z0hA1 GLU 1233 HA 0.06 0.03 0.65 -0.75 4.29 4.28 1z0hA1 GLU 1233 HB2 0.07 0.00 0.05 -0.04 2.09 2.17 1z0hA1 GLU 1233 HB3 0.10 -0.01 -0.04 -0.04 1.99 2.00 1z0hA1 GLU 1233 HG2 0.06 -0.01 -0.18 -0.04 2.34 2.17 1z0hA1 GLU 1233 HG3 0.05 0.11 0.06 -0.04 2.34 2.52 1z0hA1 ILE 1234 H 0.09 0.57 0.44 -0.55 8.25 8.80 1z0hA1 ILE 1234 HA 0.11 0.07 0.49 -0.75 4.18 4.09 1z0hA1 ILE 1234 HB 0.20 0.02 0.03 -0.04 1.89 2.10 1z0hA1 ILE 1234 HG12 -0.12 -0.10 -0.33 -0.04 1.49 0.91 1z0hA1 ILE 1234 HG13 -0.37 0.01 -0.30 -0.04 1.21 0.51 1z0hA1 ILE 1234 HG23 0.35 -0.01 -0.19 -0.04 0.93 1.03 1z0hA1 ILE 1234 HD13 0.02 -0.00 -0.18 -0.04 0.88 0.67 1z0hA1 GLY 1235 H 0.23 0.37 0.25 -0.55 8.43 8.73 1z0hA1 GLY 1235 HA2 0.21 0.08 0.31 -0.51 4.01 4.10 1z0hA1 GLY 1235 HA3 0.29 0.03 0.28 -0.51 4.01 4.10 1z0hA1 LEU 1236 H 0.33 0.40 0.30 -0.55 8.37 8.85 1z0hA1 LEU 1236 HA 0.24 0.33 1.20 -0.75 4.35 5.35 1z0hA1 LEU 1236 HB2 0.37 -0.14 0.07 -0.04 1.64 1.90 1z0hA1 LEU 1236 HB3 0.17 0.14 0.03 -0.04 1.64 1.94 1z0hA1 LEU 1236 HG 0.18 -0.07 -0.22 -0.04 1.64 1.48 1z0hA1 LEU 1236 HD13 0.05 -0.01 -0.20 -0.04 0.93 0.73 1z0hA1 LEU 1236 HD23 0.24 0.01 -0.19 -0.04 0.89 0.91 1z0hA1 ILE 1237 H 0.19 0.66 0.36 -0.55 8.25 8.91 1z0hA1 ILE 1237 HA 0.21 0.17 0.64 -0.75 4.18 4.45 1z0hA1 ILE 1237 HB 0.02 -0.07 0.18 -0.04 1.89 1.98 1z0hA1 ILE 1237 HG12 0.19 0.00 -0.10 -0.04 1.49 1.54 1z0hA1 ILE 1237 HG13 0.06 0.05 -0.05 -0.04 1.21 1.23 1z0hA1 ILE 1237 HG23 -0.19 0.01 -0.12 -0.04 0.93 0.59 1z0hA1 ILE 1237 HD13 -0.20 -0.01 -0.14 -0.04 0.88 0.49 1z0hA1 GLY 1238 H 0.39 0.83 0.38 -0.55 8.43 9.48 1z0hA1 GLY 1238 HA2 0.65 0.24 0.55 -0.51 4.01 4.94 1z0hA1 GLY 1238 HA3 0.59 -0.11 0.24 -0.51 4.01 4.22 1z0hA1 ILE 1239 H 0.38 0.22 0.14 -0.55 8.25 8.44 1z0hA1 ILE 1239 HA 0.40 0.26 1.00 -0.75 4.18 5.08 1z0hA1 ILE 1239 HB 0.07 -0.03 0.05 -0.04 1.89 1.95 1z0hA1 ILE 1239 HG12 0.36 0.03 -0.14 -0.04 1.49 1.70 1z0hA1 ILE 1239 HG13 0.36 0.02 -0.40 -0.04 1.21 1.15 1z0hA1 ILE 1239 HG23 0.11 -0.02 -0.24 -0.04 0.93 0.74 1z0hA1 ILE 1239 HD13 0.00 -0.01 -0.18 -0.04 0.88 0.66 1z0hA1 HIS 1240 H 0.38 0.57 0.27 -0.55 8.41 9.08 1z0hA1 HIS 1240 HA 0.00 0.14 0.75 -0.75 4.63 4.76 1z0hA1 HIS 1240 HB2 -0.04 0.02 -0.27 -0.04 3.26 2.93 1z0hA1 HIS 1240 HB3 -0.00 -0.00 -0.09 -0.04 3.20 3.06 1z0hA1 HIS 1240 HD2 -0.25 0.03 0.05 -0.04 6.97 6.76 1z0hA1 HIS 1240 HE1 -0.55 -0.02 -0.08 -0.04 7.75 7.07 1z0hA1 ARG 1241 H -0.55 0.18 0.07 -0.55 8.46 7.61 1z0hA1 ARG 1241 HA 0.03 0.11 0.53 -0.75 4.34 4.25 1z0hA1 ARG 1241 HB2 -0.07 -0.01 -0.03 -0.04 1.90 1.75 1z0hA1 ARG 1241 HB3 -0.24 -0.01 0.14 -0.04 1.80 1.65 1z0hA1 ARG 1241 HG2 -0.06 0.04 -0.21 -0.04 1.67 1.39 1z0hA1 ARG 1241 HG3 0.06 -0.04 -0.30 -0.04 1.67 1.34 1z0hA1 ARG 1241 HD2 0.00 -0.00 -0.04 -0.04 3.22 3.13 1z0hA1 ARG 1241 HD3 0.17 -0.00 -0.08 -0.04 3.22 3.26 1z0hA1 PHE 1242 H 0.42 0.63 0.35 -0.55 8.34 9.20 1z0hA1 PHE 1242 HA -0.80 0.10 0.55 -0.75 4.62 3.71 1z0hA1 PHE 1242 HB2 -0.08 0.08 0.08 -0.04 3.15 3.18 1z0hA1 PHE 1242 HB3 -0.28 -0.06 0.07 -0.04 3.06 2.75 1z0hA1 PHE 1242 HD2 -0.04 0.10 0.06 -0.04 7.28 7.35 1z0hA1 PHE 1242 HE2 0.05 0.04 -0.11 -0.04 7.38 7.33 1z0hA1 PHE 1242 HZ 0.01 0.00 -0.49 -0.04 7.32 6.80 1z0hA1 TYR 1243 H -0.41 0.19 0.13 -0.55 8.29 7.65 1z0hA1 TYR 1243 HA 0.16 0.17 0.92 -0.75 4.56 5.05 1z0hA1 TYR 1243 HB2 0.02 -0.02 0.18 -0.04 3.06 3.19 1z0hA1 TYR 1243 HB3 0.02 0.04 0.00 -0.04 2.98 3.00 1z0hA1 TYR 1243 HD2 -0.44 0.04 -0.13 -0.04 7.15 6.57 1z0hA1 TYR 1243 HE2 -0.29 0.03 0.01 -0.04 6.85 6.56 1z0hA1 GLU 1244 H 0.17 0.75 0.28 -0.55 8.60 9.25 1z0hA1 GLU 1244 HA 0.14 0.14 0.67 -0.75 4.29 4.49 1z0hA1 GLU 1244 HB2 0.16 0.05 0.07 -0.04 2.09 2.33 1z0hA1 GLU 1244 HB3 0.15 -0.10 0.26 -0.04 1.99 2.26 1z0hA1 GLU 1244 HG2 0.32 -0.04 -0.02 -0.04 2.34 2.56 1z0hA1 GLU 1244 HG3 0.15 0.03 -0.03 -0.04 2.34 2.44 1z0hA1 SER 1245 H 0.14 0.38 -0.01 -0.55 8.46 8.43 1z0hA1 SER 1245 HA 0.09 -0.08 0.53 -0.75 4.49 4.27 1z0hA1 SER 1245 HB2 0.10 0.02 0.18 -0.04 3.95 4.22 1z0hA1 SER 1245 HB3 0.08 0.08 0.10 -0.04 3.93 4.14 1z0hA1 GLY 1246 H 0.25 -0.02 0.43 -0.55 8.43 8.54 1z0hA1 GLY 1246 HA2 0.14 0.20 0.55 -0.51 4.01 4.39 1z0hA1 GLY 1246 HA3 0.24 -0.05 0.44 -0.51 4.01 4.12 1z0hA1 ILE 1247 H 0.07 0.18 0.17 -0.55 8.25 8.12 1z0hA1 ILE 1247 HA 0.05 0.16 0.41 -0.75 4.18 4.04 1z0hA1 ILE 1247 HB 0.03 0.05 0.00 -0.04 1.89 1.93 1z0hA1 ILE 1247 HG12 0.02 0.06 0.05 -0.04 1.49 1.58 1z0hA1 ILE 1247 HG13 0.04 -0.01 0.15 -0.04 1.21 1.35 1z0hA1 ILE 1247 HG23 0.03 0.02 0.06 -0.04 0.93 1.00 1z0hA1 ILE 1247 HD13 0.03 -0.08 0.03 -0.04 0.88 0.82 1z0hA1 VAL 1248 H 0.11 -0.49 -0.55 -0.55 8.24 6.76 1z0hA1 VAL 1248 HA 0.06 0.19 0.49 -0.75 4.13 4.11 1z0hA1 VAL 1248 HB 0.04 0.10 -0.09 -0.04 2.12 2.13 1z0hA1 VAL 1248 HG13 0.03 -0.03 -0.14 -0.04 0.97 0.79 1z0hA1 VAL 1248 HG23 0.05 0.01 -0.03 -0.04 0.95 0.94 1z0hA1 PHE 1249 H 0.21 -0.38 -0.06 -0.55 8.34 7.56 1z0hA1 PHE 1249 HA 0.02 0.12 0.33 -0.75 4.62 4.33 1z0hA1 PHE 1249 HB2 0.04 -0.08 0.24 -0.04 3.15 3.31 1z0hA1 PHE 1249 HB3 0.05 -0.41 0.45 -0.04 3.06 3.11 1z0hA1 PHE 1249 HD2 0.04 0.04 0.02 -0.04 7.28 7.35 1z0hA1 PHE 1249 HE2 0.05 0.01 -0.04 -0.04 7.38 7.35 1z0hA1 PHE 1249 HZ 0.04 0.01 -0.05 -0.04 7.32 7.28 1z0hA1 GLU 1250 H 0.08 -0.12 0.22 -0.55 8.60 8.23 1z0hA1 GLU 1250 HA -0.05 -0.05 0.27 -0.75 4.29 3.70 1z0hA1 GLU 1250 HB2 0.01 -0.02 -0.23 -0.04 2.09 1.80 1z0hA1 GLU 1250 HB3 -0.03 0.39 0.50 -0.04 1.99 2.81 1z0hA1 GLU 1250 HG2 -0.05 0.01 0.03 -0.04 2.34 2.28 1z0hA1 GLU 1250 HG3 -0.15 -0.03 0.06 -0.04 2.34 2.18 1z0hA1 GLU 1251 H -0.37 0.21 0.03 -0.55 8.60 7.92 1z0hA1 GLU 1251 HA -0.40 0.17 0.72 -0.75 4.29 4.02 1z0hA1 GLU 1251 HB2 -0.72 0.15 -0.26 -0.04 2.09 1.21 1z0hA1 GLU 1251 HB3 -1.94 -0.08 -0.07 -0.04 1.99 -0.14 1z0hA1 GLU 1251 HG2 -0.18 -0.03 0.10 -0.04 2.34 2.19 1z0hA1 GLU 1251 HG3 -0.15 0.00 -0.02 -0.04 2.34 2.13 1z0hA1 TYR 1252 H -0.12 0.21 0.17 -0.55 8.29 8.00 1z0hA1 TYR 1252 HA 0.07 0.17 0.97 -0.75 4.56 5.02 1z0hA1 TYR 1252 HB2 0.00 -0.02 0.10 -0.04 3.06 3.10 1z0hA1 TYR 1252 HB3 0.07 0.08 -0.01 -0.04 2.98 3.07 1z0hA1 TYR 1252 HD2 0.04 -0.02 -0.23 -0.04 7.15 6.90 1z0hA1 TYR 1252 HE2 -0.05 -0.01 -0.09 -0.04 6.85 6.66 1z0hA1 LYS 1253 H 0.21 0.63 0.20 -0.55 8.42 8.91 1z0hA1 LYS 1253 HA 0.09 0.14 0.84 -0.75 4.32 4.63 1z0hA1 LYS 1253 HB2 0.16 0.04 -0.29 -0.04 1.87 1.73 1z0hA1 LYS 1253 HB3 0.42 -0.06 -0.06 -0.04 1.79 2.05 1z0hA1 LYS 1253 HG2 -0.37 0.09 -0.20 -0.04 1.46 0.94 1z0hA1 LYS 1253 HG3 -0.06 0.02 0.10 -0.04 1.46 1.48 1z0hA1 LYS 1253 HD2 0.14 0.00 -0.05 -0.04 1.69 1.74 1z0hA1 LYS 1253 HD3 0.23 -0.04 -0.08 -0.04 1.68 1.75 1z0hA1 LYS 1253 HE2 -0.02 -0.01 -0.02 -0.04 2.99 2.90 1z0hA1 LYS 1253 HE3 -0.44 -0.01 -0.01 -0.04 2.99 2.49 1z0hA1 ASP 1254 H -0.01 0.20 0.18 -0.55 8.40 8.23 1z0hA1 ASP 1254 HA 0.16 0.13 0.64 -0.75 4.63 4.80 1z0hA1 ASP 1254 HB2 -0.04 0.10 0.18 -0.04 2.71 2.91 1z0hA1 ASP 1254 HB3 0.03 0.02 -0.09 -0.04 2.70 2.61 1z0hA1 TYR 1255 H 0.43 0.59 0.39 -0.55 8.29 9.15 1z0hA1 TYR 1255 HA 0.10 0.19 1.03 -0.75 4.56 5.13 1z0hA1 TYR 1255 HB2 -0.13 -0.03 0.04 -0.04 3.06 2.90 1z0hA1 TYR 1255 HB3 -0.06 0.08 0.02 -0.04 2.98 2.98 1z0hA1 TYR 1255 HD2 -0.00 0.08 -0.15 -0.04 7.15 7.04 1z0hA1 TYR 1255 HE2 -0.00 -0.03 -0.13 -0.04 6.85 6.64 1z0hA1 PHE 1256 H 0.36 0.67 0.26 -0.55 8.34 9.09 1z0hA1 PHE 1256 HA 0.27 0.15 0.59 -0.75 4.62 4.89 1z0hA1 PHE 1256 HB2 0.12 -0.00 0.05 -0.04 3.15 3.27 1z0hA1 PHE 1256 HB3 0.12 -0.10 0.30 -0.04 3.06 3.34 1z0hA1 PHE 1256 HD2 0.18 0.04 0.00 -0.04 7.28 7.46 1z0hA1 PHE 1256 HE2 -0.39 0.01 -0.12 -0.04 7.38 6.83 1z0hA1 PHE 1256 HZ -0.45 0.00 -0.12 -0.04 7.32 6.72 1z0hA1 CYS 1257 H 0.36 0.64 0.34 -0.55 8.50 9.29 1z0hA1 CYS 1257 HA 0.07 0.06 1.18 -0.75 4.58 5.14 1z0hA1 CYS 1257 HB2 0.31 0.20 0.02 -0.04 2.97 3.46 1z0hA1 CYS 1257 HB3 0.49 -0.03 -0.26 -0.04 2.97 3.13 1z0hA1 ILE 1258 H 0.04 0.59 0.28 -0.55 8.25 8.61 1z0hA1 ILE 1258 HA 0.20 0.26 0.73 -0.75 4.18 4.61 1z0hA1 ILE 1258 HB -0.04 0.01 -0.16 -0.04 1.89 1.67 1z0hA1 ILE 1258 HG12 0.22 0.01 -0.34 -0.04 1.49 1.34 1z0hA1 ILE 1258 HG13 0.26 -0.01 -0.36 -0.04 1.21 1.07 1z0hA1 ILE 1258 HG23 -0.41 0.02 -0.15 -0.04 0.93 0.36 1z0hA1 ILE 1258 HD13 0.06 0.00 -0.26 -0.04 0.88 0.64 1z0hA1 SER 1259 H 0.29 0.41 0.21 -0.55 8.46 8.83 1z0hA1 SER 1259 HA 0.14 0.27 1.02 -0.75 4.49 5.18 1z0hA1 SER 1259 HB2 -0.14 0.09 -0.19 -0.04 3.95 3.66 1z0hA1 SER 1259 HB3 -0.18 0.03 0.01 -0.04 3.93 3.75 1z0hA1 LYS 1260 H 0.17 0.66 0.36 -0.55 8.42 9.06 1z0hA1 LYS 1260 HA 0.15 0.19 0.64 -0.75 4.32 4.55 1z0hA1 LYS 1260 HB2 0.09 -0.05 0.14 -0.04 1.87 2.02 1z0hA1 LYS 1260 HB3 0.07 0.02 0.12 -0.04 1.79 1.95 1z0hA1 LYS 1260 HG2 0.06 0.14 0.07 -0.04 1.46 1.69 1z0hA1 LYS 1260 HG3 0.17 0.08 0.11 -0.04 1.46 1.79 1z0hA1 LYS 1260 HD2 -0.01 -0.09 0.03 -0.04 1.69 1.58 1z0hA1 LYS 1260 HD3 -0.06 -0.03 0.03 -0.04 1.68 1.58 1z0hA1 LYS 1260 HE2 -0.21 0.26 -0.11 -0.04 2.99 2.90 1z0hA1 LYS 1260 HE3 -0.23 -0.03 -0.06 -0.04 2.99 2.63 1z0hA1 TRP 1261 H 0.20 0.15 0.06 -0.55 7.97 7.82 1z0hA1 TRP 1261 HA -0.04 0.11 0.39 -0.75 4.62 4.33 1z0hA1 TRP 1261 HB2 -0.15 0.04 0.11 -0.04 3.23 3.20 1z0hA1 TRP 1261 HB3 -0.30 -0.06 0.06 -0.04 3.23 2.89 1z0hA1 TRP 1261 HD1 -0.05 0.03 0.03 -0.04 7.22 7.18 1z0hA1 TRP 1261 HE1 -0.03 0.04 -0.01 -0.04 10.20 10.15 1z0hA1 TRP 1261 HE3 -0.50 -0.05 -0.10 -0.04 7.59 6.90 1z0hA1 TRP 1261 HZ2 -0.02 0.04 -0.03 -0.04 7.44 7.40 1z0hA1 TRP 1261 HZ3 0.09 -0.04 -0.03 -0.04 7.13 7.11 1z0hA1 TRP 1261 HH2 0.02 0.03 -0.03 -0.04 7.19 7.16 1z0hA1 TYR 1262 H 0.08 0.12 -0.26 -0.55 8.29 7.68 1z0hA1 TYR 1262 HA -0.30 0.01 0.32 -0.75 4.56 3.83 1z0hA1 TYR 1262 HB2 0.11 0.07 0.04 -0.04 3.06 3.24 1z0hA1 TYR 1262 HB3 0.02 0.04 -0.07 -0.04 2.98 2.93 1z0hA1 TYR 1262 HD2 0.10 0.09 -0.04 -0.04 7.15 7.25 1z0hA1 TYR 1262 HE2 0.28 -0.03 -0.16 -0.04 6.85 6.91 1z0hA1 LEU 1263 H 0.11 0.24 -0.43 -0.55 8.37 7.74 1z0hA1 LEU 1263 HA -0.03 -0.00 0.26 -0.75 4.35 3.83 1z0hA1 LEU 1263 HB2 0.04 0.30 0.12 -0.04 1.64 2.05 1z0hA1 LEU 1263 HB3 0.02 -0.00 -0.01 -0.04 1.64 1.60 1z0hA1 LEU 1263 HG 0.14 -0.05 0.08 -0.04 1.64 1.77 1z0hA1 LEU 1263 HD13 0.09 -0.00 -0.24 -0.04 0.93 0.74 1z0hA1 LEU 1263 HD23 0.10 -0.03 -0.13 -0.04 0.89 0.79 1z0hA1 LYS 1264 H -0.14 0.38 -0.27 -0.55 8.42 7.84 1z0hA1 LYS 1264 HA -0.11 0.17 0.81 -0.75 4.32 4.44 1z0hA1 LYS 1264 HB2 -0.11 -0.02 0.06 -0.04 1.87 1.75 1z0hA1 LYS 1264 HB3 -0.07 0.00 0.05 -0.04 1.79 1.73 1z0hA1 LYS 1264 HG2 -0.20 0.22 0.21 -0.04 1.46 1.65 1z0hA1 LYS 1264 HG3 -0.34 -0.04 -0.02 -0.04 1.46 1.02 1z0hA1 LYS 1264 HD2 -0.04 -0.01 -0.01 -0.04 1.69 1.59 1z0hA1 LYS 1264 HD3 -0.01 0.00 0.01 -0.04 1.68 1.65 1z0hA1 LYS 1264 HE2 0.13 -0.01 0.00 -0.04 2.99 3.07 1z0hA1 LYS 1264 HE3 0.18 -0.06 0.04 -0.04 2.99 3.11 1z0hA1 GLU 1265 H -0.42 0.34 0.06 -0.55 8.60 8.04 1z0hA1 GLU 1265 HA -0.36 0.04 0.43 -0.75 4.29 3.65 1z0hA1 GLU 1265 HB2 -0.47 0.00 0.13 -0.04 2.09 1.71 1z0hA1 GLU 1265 HB3 -0.50 -0.03 0.02 -0.04 1.99 1.43 1z0hA1 GLU 1265 HG2 -1.83 0.16 -0.08 -0.04 2.34 0.54 1z0hA1 GLU 1265 HG3 -2.85 -0.07 -0.07 -0.04 2.34 -0.69 1z0hA1 VAL 1266 H -0.20 0.60 -0.18 -0.55 8.24 7.91 1z0hA1 VAL 1266 HA 0.05 -0.00 0.41 -0.75 4.13 3.83 1z0hA1 VAL 1266 HB -0.54 -0.03 0.03 -0.04 2.12 1.54 1z0hA1 VAL 1266 HG13 -0.12 0.01 -0.06 -0.04 0.97 0.76 1z0hA1 VAL 1266 HG23 -0.57 0.04 -0.18 -0.04 0.95 0.20 1z0hA1 LYS 1267 H -0.14 0.30 -0.69 -0.55 8.42 7.33 1z0hA1 LYS 1267 HA -0.04 0.09 0.58 -0.75 4.32 4.20 1z0hA1 LYS 1267 HB2 -0.08 0.21 0.13 -0.04 1.87 2.09 1z0hA1 LYS 1267 HB3 -0.04 -0.08 0.03 -0.04 1.79 1.65 1z0hA1 LYS 1267 HG2 -0.05 -0.04 0.00 -0.04 1.46 1.33 1z0hA1 LYS 1267 HG3 -0.11 0.10 0.04 -0.04 1.46 1.44 1z0hA1 LYS 1267 HD2 -0.06 -0.04 0.11 -0.04 1.69 1.66 1z0hA1 LYS 1267 HD3 -0.03 -0.06 0.03 -0.04 1.68 1.58 1z0hA1 LYS 1267 HE2 -0.02 -0.04 0.01 -0.04 2.99 2.90 1z0hA1 LYS 1267 HE3 -0.05 0.24 0.05 -0.04 2.99 3.20 1z0hA1 ARG 1268 H -0.09 0.19 -0.12 -0.55 8.46 7.89 1z0hA1 ARG 1268 HA -0.04 -0.04 0.39 -0.75 4.34 3.89 1z0hA1 ARG 1268 HB2 -0.11 0.15 0.15 -0.04 1.90 2.05 1z0hA1 ARG 1268 HB3 -0.06 0.03 -0.06 -0.04 1.80 1.66 1z0hA1 ARG 1268 HG2 -0.06 -0.02 0.04 -0.04 1.67 1.59 1z0hA1 ARG 1268 HG3 -0.10 0.03 0.06 -0.04 1.67 1.62 1z0hA1 ARG 1268 HD2 -0.16 -0.04 0.05 -0.04 3.22 3.03 1z0hA1 ARG 1268 HD3 -0.07 0.01 0.00 -0.04 3.22 3.12 1z0hA1 LYS 1269 H -0.01 0.10 0.17 -0.55 8.42 8.13 1z0hA1 LYS 1269 HA 0.03 0.04 0.65 -0.75 4.32 4.29 1z0hA1 LYS 1269 HB2 0.01 -0.04 0.09 -0.04 1.87 1.89 1z0hA1 LYS 1269 HB3 0.02 -0.04 0.02 -0.04 1.79 1.74 1z0hA1 LYS 1269 HG2 0.01 0.15 -0.08 -0.04 1.46 1.49 1z0hA1 LYS 1269 HG3 0.02 -0.05 -0.01 -0.04 1.46 1.37 1z0hA1 LYS 1269 HD2 0.05 -0.15 0.01 -0.04 1.69 1.56 1z0hA1 LYS 1269 HD3 0.06 0.23 -0.32 -0.04 1.68 1.61 1z0hA1 LYS 1269 HE2 0.03 -0.08 -0.00 -0.04 2.99 2.89 1z0hA1 LYS 1269 HE3 0.05 0.02 -0.01 -0.04 2.99 3.02 1z0hA1 PRO 1270 HA 0.04 0.04 0.37 -0.51 4.44 4.38 1z0hA1 PRO 1270 HB2 0.03 0.07 0.02 -0.04 2.28 2.36 1z0hA1 PRO 1270 HB3 0.02 0.01 0.10 -0.04 2.02 2.11 1z0hA1 PRO 1270 HG2 -0.01 0.02 -0.05 -0.04 2.03 1.94 1z0hA1 PRO 1270 HG3 0.00 0.01 0.05 -0.04 2.03 2.05 1z0hA1 PRO 1270 HD2 -0.01 0.11 0.33 -0.04 3.68 4.07 1z0hA1 PRO 1270 HD3 0.00 0.06 0.19 -0.04 3.65 3.86 1z0hA1 TYR 1271 H 0.15 0.02 0.14 -0.55 8.29 8.05 1z0hA1 TYR 1271 HA -0.03 0.32 0.40 -0.75 4.56 4.49 1z0hA1 TYR 1271 HB2 0.02 0.12 0.13 -0.04 3.06 3.29 1z0hA1 TYR 1271 HB3 0.01 -0.14 0.09 -0.04 2.98 2.90 1z0hA1 TYR 1271 HD2 -0.01 0.12 -0.12 -0.04 7.15 7.11 1z0hA1 TYR 1271 HE2 -0.05 -0.05 -0.08 -0.04 6.85 6.64 1z0hA1 ASN 1272 H -0.65 0.23 0.13 -0.55 8.53 7.69 1z0hA1 ASN 1272 HA -0.25 0.06 0.45 -0.75 4.76 4.27 1z0hA1 ASN 1272 HB2 -0.29 0.19 0.12 -0.04 2.88 2.85 1z0hA1 ASN 1272 HB3 -0.42 -0.09 0.11 -0.04 2.79 2.35 1z0hA1 ASN 1272 HD21 -0.03 -0.01 -0.05 -0.04 7.03 6.91 1z0hA1 ASN 1272 HD22 -0.13 0.08 -0.01 -0.04 7.74 7.64 1z0hA1 LEU 1273 H -0.15 0.22 0.21 -0.55 8.37 8.11 1z0hA1 LEU 1273 HA -0.08 0.13 0.48 -0.75 4.35 4.13 1z0hA1 LEU 1273 HB2 -0.03 -0.03 0.06 -0.04 1.64 1.59 1z0hA1 LEU 1273 HB3 -0.00 0.02 0.04 -0.04 1.64 1.66 1z0hA1 LEU 1273 HG 0.02 0.02 0.01 -0.04 1.64 1.65 1z0hA1 LEU 1273 HD13 0.12 -0.01 -0.10 -0.04 0.93 0.91 1z0hA1 LEU 1273 HD23 -0.02 0.04 0.09 -0.04 0.89 0.96 1z0hA1 LYS 1274 H -0.10 0.03 -0.13 -0.55 8.42 7.67 1z0hA1 LYS 1274 HA -0.05 0.20 0.41 -0.75 4.32 4.12 1z0hA1 LYS 1274 HB2 -0.02 -0.03 -0.05 -0.04 1.87 1.73 1z0hA1 LYS 1274 HB3 -0.01 0.05 0.09 -0.04 1.79 1.88 1z0hA1 LYS 1274 HG2 -0.04 -0.09 0.04 -0.04 1.46 1.33 1z0hA1 LYS 1274 HG3 -0.01 0.02 0.01 -0.04 1.46 1.44 1z0hA1 LYS 1274 HD2 -0.02 0.03 -0.14 -0.04 1.69 1.52 1z0hA1 LYS 1274 HD3 -0.01 0.01 -0.03 -0.04 1.68 1.61 1z0hA1 LYS 1274 HE2 -0.00 -0.02 0.01 -0.04 2.99 2.93 1z0hA1 LYS 1274 HE3 -0.01 0.04 0.04 -0.04 2.99 3.01 1z0hA1 LEU 1275 H -0.15 0.18 -0.57 -0.55 8.37 7.29 1z0hA1 LEU 1275 HA 0.07 0.03 0.35 -0.75 4.35 4.04 1z0hA1 LEU 1275 HB2 -0.17 0.20 0.00 -0.04 1.64 1.63 1z0hA1 LEU 1275 HB3 -0.15 -0.20 -0.02 -0.04 1.64 1.22 1z0hA1 LEU 1275 HG -0.20 -0.00 -0.03 -0.04 1.64 1.37 1z0hA1 LEU 1275 HD13 -0.20 0.03 -0.12 -0.04 0.93 0.59 1z0hA1 LEU 1275 HD23 0.10 -0.00 -0.03 -0.04 0.89 0.91 1z0hA1 GLY 1276 H 0.21 0.16 0.16 -0.55 8.43 8.41 1z0hA1 GLY 1276 HA2 -0.21 0.05 0.54 -0.51 4.01 3.88 1z0hA1 GLY 1276 HA3 0.06 0.06 0.39 -0.51 4.01 4.01 1z0hA1 CYS 1277 H -0.37 0.00 -0.67 -0.55 8.50 6.91 1z0hA1 CYS 1277 HA -0.17 0.38 1.00 -0.75 4.58 5.04 1z0hA1 CYS 1277 HB2 -0.27 0.04 0.11 -0.04 2.97 2.81 1z0hA1 CYS 1277 HB3 -1.97 -0.09 -0.10 -0.04 2.97 0.78 1z0hA1 ASN 1278 H -0.34 0.22 -0.23 -0.55 8.53 7.63 1z0hA1 ASN 1278 HA 0.03 0.31 0.90 -0.75 4.76 5.25 1z0hA1 ASN 1278 HB2 -0.13 0.02 0.16 -0.04 2.88 2.89 1z0hA1 ASN 1278 HB3 0.01 -0.00 0.01 -0.04 2.79 2.76 1z0hA1 ASN 1278 HD21 0.02 0.15 0.00 -0.04 7.03 7.16 1z0hA1 ASN 1278 HD22 -0.05 0.20 -0.03 -0.04 7.74 7.81 1z0hA1 TRP 1279 H 0.22 0.60 0.37 -0.55 7.97 8.61 1z0hA1 TRP 1279 HA -0.10 0.29 1.22 -0.75 4.62 5.28 1z0hA1 TRP 1279 HB2 -0.18 -0.04 -0.03 -0.04 3.23 2.94 1z0hA1 TRP 1279 HB3 -0.42 0.02 -0.00 -0.04 3.23 2.78 1z0hA1 TRP 1279 HD1 -0.03 0.11 -0.12 -0.04 7.22 7.14 1z0hA1 TRP 1279 HE1 0.04 0.34 -0.31 -0.04 10.20 10.23 1z0hA1 TRP 1279 HE3 -0.28 0.10 -0.23 -0.04 7.59 7.14 1z0hA1 TRP 1279 HZ2 0.28 0.01 -0.23 -0.04 7.44 7.45 1z0hA1 TRP 1279 HZ3 -0.20 0.00 -0.30 -0.04 7.13 6.60 1z0hA1 TRP 1279 HH2 0.06 -0.05 -0.20 -0.04 7.19 6.96 1z0hA1 GLN 1280 H 0.16 0.66 0.37 -0.55 8.47 9.12 1z0hA1 GLN 1280 HA 0.12 0.25 0.85 -0.75 4.36 4.82 1z0hA1 GLN 1280 HB2 0.48 -0.05 -0.04 -0.04 2.15 2.50 1z0hA1 GLN 1280 HB3 0.21 -0.00 -0.06 -0.04 2.02 2.12 1z0hA1 GLN 1280 HG2 0.17 0.38 -0.37 -0.04 2.40 2.54 1z0hA1 GLN 1280 HG3 0.22 -0.13 -0.57 -0.04 2.39 1.87 1z0hA1 GLN 1280 HE21 0.05 0.05 -0.11 -0.04 6.97 6.92 1z0hA1 GLN 1280 HE22 0.16 -0.07 -0.19 -0.04 7.69 7.55 1z0hA1 PHE 1281 H 0.15 0.24 0.20 -0.55 8.34 8.38 1z0hA1 PHE 1281 HA -0.09 0.25 0.92 -0.75 4.62 4.95 1z0hA1 PHE 1281 HB2 -0.76 -0.02 0.13 -0.04 3.15 2.46 1z0hA1 PHE 1281 HB3 -1.06 0.03 -0.07 -0.04 3.06 1.92 1z0hA1 PHE 1281 HD2 -0.11 0.06 -0.11 -0.04 7.28 7.08 1z0hA1 PHE 1281 HE2 -0.12 0.01 -0.17 -0.04 7.38 7.06 1z0hA1 PHE 1281 HZ -0.18 -0.02 -0.17 -0.04 7.32 6.90 1z0hA1 ILE 1282 H 0.09 0.86 0.35 -0.55 8.25 9.00 1z0hA1 ILE 1282 HA -0.18 0.13 1.10 -0.75 4.18 4.48 1z0hA1 ILE 1282 HB 0.04 0.01 0.20 -0.04 1.89 2.10 1z0hA1 ILE 1282 HG12 -1.13 -0.04 -0.18 -0.04 1.49 0.10 1z0hA1 ILE 1282 HG13 -0.30 0.03 -0.16 -0.04 1.21 0.74 1z0hA1 ILE 1282 HG23 -0.34 -0.00 -0.18 -0.04 0.93 0.37 1z0hA1 ILE 1282 HD13 -0.85 0.01 -0.08 -0.04 0.88 -0.08 1z0hA1 PRO 1283 HA 0.30 0.19 0.80 -0.51 4.44 5.22 1z0hA1 PRO 1283 HB2 0.22 0.07 0.06 -0.04 2.28 2.60 1z0hA1 PRO 1283 HB3 0.37 0.05 0.03 -0.04 2.02 2.43 1z0hA1 PRO 1283 HG2 0.64 0.05 -0.02 -0.04 2.03 2.65 1z0hA1 PRO 1283 HG3 0.50 0.01 0.03 -0.04 2.03 2.53 1z0hA1 PRO 1283 HD2 0.15 0.03 0.27 -0.04 3.68 4.09 1z0hA1 PRO 1283 HD3 0.28 0.17 0.07 -0.04 3.65 4.13 1z0hA1 LYS 1284 H 0.09 0.11 0.16 -0.55 8.42 8.22 1z0hA1 LYS 1284 HA -0.32 0.03 0.41 -0.75 4.32 3.69 1z0hA1 LYS 1284 HB2 -0.03 -0.02 0.13 -0.04 1.87 1.91 1z0hA1 LYS 1284 HB3 -0.07 0.01 -0.05 -0.04 1.79 1.64 1z0hA1 LYS 1284 HG2 -0.15 0.01 0.07 -0.04 1.46 1.35 1z0hA1 LYS 1284 HG3 -0.10 -0.01 0.04 -0.04 1.46 1.35 1z0hA1 LYS 1284 HD2 -0.37 0.03 0.04 -0.04 1.69 1.35 1z0hA1 LYS 1284 HD3 -1.80 0.00 0.03 -0.04 1.68 -0.13 1z0hA1 LYS 1284 HE2 -0.05 -0.01 0.01 -0.04 2.99 2.90 1z0hA1 LYS 1284 HE3 -0.03 -0.02 0.03 -0.04 2.99 2.93 1z0hA1 ASP 1285 H 0.35 0.27 0.23 -0.55 8.40 8.70 1z0hA1 ASP 1285 HA 0.04 0.14 0.81 -0.75 4.63 4.86 1z0hA1 ASP 1285 HB2 -0.11 0.21 -0.19 -0.04 2.71 2.58 1z0hA1 ASP 1285 HB3 -0.43 -0.01 0.04 -0.04 2.70 2.26 1z0hA1 GLU 1286 H 0.03 0.21 0.11 -0.55 8.60 8.40 1z0hA1 GLU 1286 HA 0.09 0.09 0.34 -0.75 4.29 4.06 1z0hA1 GLU 1286 HB2 0.11 0.03 0.06 -0.04 2.09 2.26 1z0hA1 GLU 1286 HB3 0.05 0.00 0.09 -0.04 1.99 2.10 1z0hA1 GLU 1286 HG2 0.04 -0.06 0.04 -0.04 2.34 2.32 1z0hA1 GLU 1286 HG3 0.31 0.07 -0.27 -0.04 2.34 2.41 1z0hA1 GLY 1287 H 0.02 0.03 -0.39 -0.55 8.43 7.55 1z0hA1 GLY 1287 HA2 0.08 0.13 0.43 -0.51 4.01 4.13 1z0hA1 GLY 1287 HA3 0.01 0.04 0.25 -0.51 4.01 3.80 1z0hA1 TRP 1288 H 0.09 0.53 -0.48 -0.55 7.97 7.57 1z0hA1 TRP 1288 HA -0.20 0.12 0.85 -0.75 4.62 4.63 1z0hA1 TRP 1288 HB2 -0.34 0.05 -0.18 -0.04 3.23 2.73 1z0hA1 TRP 1288 HB3 0.02 -0.03 0.09 -0.04 3.23 3.27 1z0hA1 TRP 1288 HD1 -0.52 -0.08 -0.31 -0.04 7.22 6.27 1z0hA1 TRP 1288 HE1 -0.42 -0.19 -0.16 -0.04 10.20 9.39 1z0hA1 TRP 1288 HE3 0.04 0.04 -0.11 -0.04 7.59 7.51 1z0hA1 TRP 1288 HZ2 -0.37 0.05 -0.08 -0.04 7.44 6.99 1z0hA1 TRP 1288 HZ3 0.02 -0.04 -0.04 -0.04 7.13 7.04 1z0hA1 TRP 1288 HH2 -0.07 0.00 -0.00 -0.04 7.19 7.08 1z0hA1 THR 1289 H -0.54 0.25 0.04 -0.55 8.28 7.49 1z0hA1 THR 1289 HA 0.07 0.18 0.90 -0.75 4.39 4.79 1z0hA1 THR 1289 HB -0.03 -0.01 0.03 -0.04 4.32 4.28 1z0hA1 THR 1289 HG23 -0.00 0.03 -0.15 -0.04 1.22 1.05 1z0hA1 GLU 1290 H 0.06 0.26 0.03 -0.55 8.60 8.40 1z0hA1 GLU 1290 HA -0.05 0.18 0.53 -0.75 4.29 4.19 1z0hA1 GLU 1290 HB2 0.27 0.01 -0.02 -0.04 2.09 2.31 1z0hA1 GLU 1290 HB3 -0.13 0.13 -0.27 -0.04 1.99 1.67 1z0hA1 GLU 1290 HG2 0.07 0.04 -0.06 -0.04 2.34 2.35 1z0hA1 GLU 1290 HG3 0.14 0.04 0.02 -0.04 2.34 2.50