============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 85 rings ring int. center anis. iso. PHE 4 1.000 -41.101 20.113 21.840 -99.200 -91.000 PHE 18 1.000 -30.538 16.927 29.226 -99.200 -91.000 HIS 19 0.900 -25.504 23.534 29.216 -99.200 -91.000 TRP 26 1.040 -28.324 25.992 22.973 -99.200 -91.000 TRP6 26 1.020 -28.540 23.709 22.403 -99.200 -91.000 PHE 33 1.000 -13.109 34.181 20.748 -99.200 -91.000 TYR 39 0.840 -21.007 27.306 12.219 -99.200 -91.000 HIS 74 0.900 -10.635 31.708 22.849 -99.200 -91.000 TYR 76 0.840 -8.337 32.233 15.559 -99.200 -91.000 TYR 79 0.840 -12.880 24.515 12.320 -99.200 -91.000 PHE 81 1.000 -20.515 26.036 18.826 -99.200 -91.000 HIS 87 0.900 -20.996 18.383 13.154 -99.200 -91.000 TYR 96 0.840 -12.163 22.638 36.337 -99.200 -91.000 TYR 116 0.840 -7.600 24.776 36.909 -99.200 -91.000 HIS 131 0.900 0.965 27.347 28.368 -99.200 -91.000 HIS 142 0.900 -2.241 26.073 22.482 -99.200 -91.000 TYR 148 0.840 4.789 29.724 17.335 -99.200 -91.000 PHE 150 1.000 5.395 35.925 22.870 -99.200 -91.000 HIS 153 0.900 14.102 30.077 18.365 -99.200 -91.000 HIS 155 0.900 11.749 24.976 27.222 -99.200 -91.000 TRP 161 1.040 7.371 20.152 26.065 -99.200 -91.000 TRP6 161 1.020 9.113 19.755 27.615 -99.200 -91.000 HIS 176 0.900 -2.276 5.163 27.845 -99.200 -91.000 PHE 186 1.000 1.281 9.992 22.047 -99.200 -91.000 TRP 187 1.040 3.022 10.568 13.400 -99.200 -91.000 TRP6 187 1.020 1.806 11.101 11.445 -99.200 -91.000 PHE 196 1.000 -6.866 12.153 12.973 -99.200 -91.000 PHE 202 1.000 -5.135 16.258 25.521 -99.200 -91.000 PHE 204 1.000 0.249 17.924 27.506 -99.200 -91.000 PHE 207 1.000 8.995 24.150 30.064 -99.200 -91.000 TYR 216 0.840 12.379 40.483 22.685 -99.200 -91.000 TRP 222 1.040 12.415 49.668 10.562 -99.200 -91.000 TRP6 222 1.020 12.358 47.307 10.732 -99.200 -91.000 HIS 227 0.900 7.428 48.429 7.446 -99.200 -91.000 TRP 237 1.040 19.316 37.439 14.728 -99.200 -91.000 TRP6 237 1.020 17.267 37.334 15.902 -99.200 -91.000 TRP 259 1.040 11.840 43.983 15.542 -99.200 -91.000 TRP6 259 1.020 14.199 43.819 15.603 -99.200 -91.000 PHE 263 1.000 18.043 35.779 26.436 -99.200 -91.000 PHE 264 1.000 12.138 30.221 27.928 -99.200 -91.000 TRP 295 1.040 5.967 29.398 33.269 -99.200 -91.000 TRP6 295 1.020 7.029 29.592 31.166 -99.200 -91.000 TYR 296 0.840 1.337 34.853 38.704 -99.200 -91.000 TYR 302 0.840 3.911 38.160 26.180 -99.200 -91.000 TYR 304 0.840 -1.811 40.787 24.373 -99.200 -91.000 TYR 312 0.840 -17.609 25.542 36.548 -99.200 -91.000 TYR 314 0.840 -13.939 32.215 27.618 -99.200 -91.000 HIS 317 0.900 -19.554 34.796 22.867 -99.200 -91.000 TYR 319 0.840 -19.056 39.618 12.835 -99.200 -91.000 PHE 320 1.000 -11.977 35.948 15.370 -99.200 -91.000 TYR 321 0.840 -11.127 35.584 6.712 -99.200 -91.000 PHE 338 1.000 3.499 41.082 5.418 -99.200 -91.000 TYR 341 0.840 -2.849 43.167 0.540 -99.200 -91.000 PHE 343 1.000 4.612 51.176 4.275 -99.200 -91.000 TRP 354 1.040 -5.033 46.025 8.947 -99.200 -91.000 TRP6 354 1.020 -2.749 45.429 8.791 -99.200 -91.000 TRP 355 1.040 -4.623 41.719 15.589 -99.200 -91.000 TRP6 355 1.020 -3.801 39.528 15.937 -99.200 -91.000 TRP 358 1.040 7.664 37.568 9.689 -99.200 -91.000 TRP6 358 1.020 7.448 38.615 7.576 -99.200 -91.000 PHE 360 1.000 11.586 36.531 13.764 -99.200 -91.000 HIS 361 0.900 6.818 27.046 12.563 -99.200 -91.000 TYR 378 0.840 3.455 22.023 13.480 -99.200 -91.000 HIS 380 0.900 2.366 23.463 8.437 -99.200 -91.000 TRP 385 1.040 9.790 33.526 7.491 -99.200 -91.000 TRP6 385 1.020 10.825 34.617 9.312 -99.200 -91.000 TRP 387 1.040 3.776 35.774 8.067 -99.200 -91.000 TRP6 387 1.020 4.963 34.222 6.743 -99.200 -91.000 PHE 389 1.000 -1.551 36.778 6.992 -99.200 -91.000 TYR 390 0.840 -8.107 38.035 15.473 -99.200 -91.000 TYR 394 0.840 -11.220 46.877 16.568 -99.200 -91.000 TYR 396 0.840 -19.390 42.035 18.285 -99.200 -91.000 TYR 403 0.840 -15.600 40.103 7.311 -99.200 -91.000 PHE 408 1.000 -15.319 36.076 4.336 -99.200 -91.000 PHE 410 1.000 -6.951 43.975 5.069 -99.200 -91.000 PHE 414 1.000 -1.379 42.397 4.763 -99.200 -91.000 TYR 430 0.840 -0.717 26.754 14.490 -99.200 -91.000 PHE 431 1.000 -7.891 22.519 12.823 -99.200 -91.000 TYR 433 0.840 -2.393 31.347 15.162 -99.200 -91.000 TYR 447 0.840 -6.044 24.310 8.152 -99.200 -91.000 TRP 448 1.040 -3.287 18.412 9.529 -99.200 -91.000 TRP6 448 1.020 -5.564 18.951 9.150 -99.200 -91.000 TYR 462 0.840 -6.774 4.215 15.714 -99.200 -91.000 PHE 468 1.000 -15.428 10.907 17.831 -99.200 -91.000 TYR 479 0.840 -0.839 5.237 0.065 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1zr6A1 GLU -4 HA 0.22 0.02 0.14 -0.75 4.29 3.90 1zr6A1 GLU -4 HB2 0.07 -0.10 -0.01 -0.04 2.09 2.01 1zr6A1 GLU -4 HB3 0.08 0.05 0.05 -0.04 1.99 2.12 1zr6A1 GLU -4 HG2 0.05 0.03 -0.00 -0.04 2.34 2.37 1zr6A1 GLU -4 HG3 0.07 0.03 0.03 -0.04 2.34 2.43 1zr6A1 ALA -3 H 0.08 0.12 -0.02 -0.55 8.40 8.04 1zr6A1 ALA -3 HA 0.02 0.23 0.67 -0.75 4.34 4.50 1zr6A1 ALA -3 HB3 -0.10 0.05 -0.07 -0.04 1.41 1.25 1zr6A1 GLU -2 H 0.08 0.22 -0.44 -0.55 8.60 7.91 1zr6A1 GLU -2 HA -0.16 -0.00 0.37 -0.75 4.29 3.74 1zr6A1 GLU -2 HB2 -0.03 0.01 0.03 -0.04 2.09 2.06 1zr6A1 GLU -2 HB3 0.03 0.01 0.04 -0.04 1.99 2.02 1zr6A1 GLU -2 HG2 0.15 0.06 0.02 -0.04 2.34 2.52 1zr6A1 GLU -2 HG3 0.31 0.01 -0.09 -0.04 2.34 2.52 1zr6A1 PHE -1 H -0.51 0.10 0.17 -0.55 8.34 7.56 1zr6A1 PHE -1 HA -0.01 0.00 0.35 -0.75 4.62 4.21 1zr6A1 PHE -1 HB2 -0.02 0.14 -0.11 -0.04 3.15 3.12 1zr6A1 PHE -1 HB3 -0.02 0.02 0.21 -0.04 3.06 3.23 1zr6A1 PHE -1 HD2 -0.01 0.02 -0.13 -0.04 7.28 7.12 1zr6A1 PHE -1 HE2 -0.00 0.01 -0.01 -0.04 7.38 7.33 1zr6A1 PHE -1 HZ -0.00 0.01 -0.00 -0.04 7.32 7.28 1zr6A1 ASN 1 H -0.00 0.41 -0.50 -0.55 8.53 7.90 1zr6A1 ASN 1 HA 0.05 0.15 0.78 -0.75 4.76 4.98 1zr6A1 ASN 1 HB2 0.06 0.17 -0.19 -0.04 2.88 2.88 1zr6A1 ASN 1 HB3 -0.01 -0.09 0.08 -0.04 2.79 2.73 1zr6A1 ASN 1 HD21 0.17 0.42 0.28 -0.04 7.03 7.86 1zr6A1 ASN 1 HD22 0.10 0.01 0.11 -0.04 7.74 7.91 1zr6A1 SER 2 H 0.01 0.28 0.09 -0.55 8.46 8.29 1zr6A1 SER 2 HA -0.04 0.08 0.45 -0.75 4.49 4.23 1zr6A1 SER 2 HB2 -0.01 0.06 0.06 -0.04 3.95 4.01 1zr6A1 SER 2 HB3 -0.01 0.02 0.10 -0.04 3.93 4.00 1zr6A1 ILE 3 H -0.01 0.13 -0.19 -0.55 8.25 7.64 1zr6A1 ILE 3 HA -0.02 0.17 0.44 -0.75 4.18 4.01 1zr6A1 ILE 3 HB 0.02 0.01 -0.02 -0.04 1.89 1.86 1zr6A1 ILE 3 HG12 0.02 0.12 -0.06 -0.04 1.49 1.52 1zr6A1 ILE 3 HG13 0.02 -0.07 -0.00 -0.04 1.21 1.12 1zr6A1 ILE 3 HG23 0.01 0.00 -0.24 -0.04 0.93 0.66 1zr6A1 ILE 3 HD13 0.06 0.04 -0.11 -0.04 0.88 0.83 1zr6A1 ASN 4 H -0.12 0.15 -0.24 -0.55 8.53 7.78 1zr6A1 ASN 4 HA -0.58 0.05 0.33 -0.75 4.76 3.80 1zr6A1 ASN 4 HB2 -0.28 0.18 0.09 -0.04 2.88 2.83 1zr6A1 ASN 4 HB3 -1.24 0.01 -0.08 -0.04 2.79 1.44 1zr6A1 ASN 4 HD21 0.23 0.04 0.04 -0.04 7.03 7.31 1zr6A1 ASN 4 HD22 0.06 0.06 0.01 -0.04 7.74 7.83 1zr6A1 ALA 5 H -0.15 0.32 -0.36 -0.55 8.40 7.67 1zr6A1 ALA 5 HA -0.09 -0.01 0.41 -0.75 4.34 3.90 1zr6A1 ALA 5 HB3 -0.06 0.07 0.10 -0.04 1.41 1.48 1zr6A1 CYS 6 H -0.07 0.40 -0.22 -0.55 8.50 8.05 1zr6A1 CYS 6 HA -0.02 0.03 0.41 -0.75 4.58 4.24 1zr6A1 CYS 6 HB2 -0.02 0.05 0.14 -0.04 2.97 3.09 1zr6A1 CYS 6 HB3 -0.03 0.14 0.19 -0.04 2.97 3.23 1zr6A1 LEU 7 H -0.10 0.56 -0.14 -0.55 8.37 8.14 1zr6A1 LEU 7 HA 0.02 0.00 0.34 -0.75 4.35 3.96 1zr6A1 LEU 7 HB2 -0.15 0.04 0.06 -0.04 1.64 1.54 1zr6A1 LEU 7 HB3 0.12 0.12 -0.11 -0.04 1.64 1.74 1zr6A1 LEU 7 HG -0.03 0.17 -0.05 -0.04 1.64 1.68 1zr6A1 LEU 7 HD13 0.03 -0.02 -0.21 -0.04 0.93 0.69 1zr6A1 LEU 7 HD23 0.04 -0.01 -0.09 -0.04 0.89 0.79 1zr6A1 ALA 8 H -0.07 0.59 -0.22 -0.55 8.40 8.16 1zr6A1 ALA 8 HA 0.21 0.03 0.36 -0.75 4.34 4.18 1zr6A1 ALA 8 HB3 0.14 0.02 0.07 -0.04 1.41 1.61 1zr6A1 ALA 9 H 0.01 0.48 -0.25 -0.55 8.40 8.10 1zr6A1 ALA 9 HA 0.03 -0.00 0.41 -0.75 4.34 4.02 1zr6A1 ALA 9 HB3 0.01 0.03 0.10 -0.04 1.41 1.51 1zr6A1 ALA 10 H 0.03 0.35 -0.44 -0.55 8.40 7.79 1zr6A1 ALA 10 HA 0.02 0.09 0.63 -0.75 4.34 4.33 1zr6A1 ALA 10 HB3 0.02 -0.02 0.05 -0.04 1.41 1.42 1zr6A1 ASP 11 H 0.05 0.42 -0.52 -0.55 8.40 7.81 1zr6A1 ASP 11 HA 0.05 0.05 0.27 -0.75 4.63 4.25 1zr6A1 ASP 11 HB2 0.03 0.01 -0.26 -0.04 2.71 2.45 1zr6A1 ASP 11 HB3 0.02 0.09 0.16 -0.04 2.70 2.93 1zr6A1 VAL 12 H 0.08 0.69 -0.11 -0.55 8.24 8.35 1zr6A1 VAL 12 HA 0.04 0.05 0.82 -0.75 4.13 4.29 1zr6A1 VAL 12 HB 0.07 -0.01 0.01 -0.04 2.12 2.15 1zr6A1 VAL 12 HG13 0.04 0.02 -0.17 -0.04 0.97 0.82 1zr6A1 VAL 12 HG23 0.03 -0.00 -0.17 -0.04 0.95 0.77 1zr6A1 GLU 13 H 0.02 0.13 0.06 -0.55 8.60 8.26 1zr6A1 GLU 13 HA -0.02 0.07 0.37 -0.75 4.29 3.96 1zr6A1 GLU 13 HB2 -0.05 0.00 0.11 -0.04 2.09 2.11 1zr6A1 GLU 13 HB3 -0.06 0.11 0.10 -0.04 1.99 2.10 1zr6A1 GLU 13 HG2 -0.16 0.04 -0.08 -0.04 2.34 2.10 1zr6A1 GLU 13 HG3 -0.14 -0.00 0.07 -0.04 2.34 2.23 1zr6A1 PHE 14 H -0.37 0.26 0.22 -0.55 8.34 7.90 1zr6A1 PHE 14 HA -0.07 0.20 0.76 -0.75 4.62 4.75 1zr6A1 PHE 14 HB2 0.09 0.01 0.05 -0.04 3.15 3.27 1zr6A1 PHE 14 HB3 0.03 0.04 -0.18 -0.04 3.06 2.91 1zr6A1 PHE 14 HD2 0.09 0.13 -0.36 -0.04 7.28 7.11 1zr6A1 PHE 14 HE2 0.06 0.06 -0.12 -0.04 7.38 7.34 1zr6A1 PHE 14 HZ 0.05 -0.04 -0.29 -0.04 7.32 7.00 1zr6A1 HIS 15 H 0.33 0.52 0.23 -0.55 8.41 8.94 1zr6A1 HIS 15 HA 0.11 0.10 0.91 -0.75 4.63 4.99 1zr6A1 HIS 15 HB2 0.27 0.04 0.06 -0.04 3.26 3.59 1zr6A1 HIS 15 HB3 0.41 0.01 -0.15 -0.04 3.20 3.43 1zr6A1 HIS 15 HD2 -0.04 0.05 -0.22 -0.04 6.97 6.71 1zr6A1 HIS 15 HE1 0.03 0.01 -0.06 -0.04 7.75 7.69 1zr6A1 GLU 16 H 0.24 0.10 0.16 -0.55 8.60 8.56 1zr6A1 GLU 16 HA 0.34 0.16 0.57 -0.75 4.29 4.61 1zr6A1 GLU 16 HB2 0.13 -0.08 0.14 -0.04 2.09 2.23 1zr6A1 GLU 16 HB3 0.12 -0.07 0.08 -0.04 1.99 2.08 1zr6A1 GLU 16 HG2 0.42 0.12 0.10 -0.04 2.34 2.93 1zr6A1 GLU 16 HG3 0.17 -0.02 0.07 -0.04 2.34 2.52 1zr6A1 GLU 17 H -0.11 0.23 0.16 -0.55 8.60 8.33 1zr6A1 GLU 17 HA -1.16 0.11 0.35 -0.75 4.29 2.84 1zr6A1 GLU 17 HB2 -0.95 0.06 0.12 -0.04 2.09 1.27 1zr6A1 GLU 17 HB3 -0.47 -0.01 0.05 -0.04 1.99 1.52 1zr6A1 GLU 17 HG2 -0.71 -0.02 -0.01 -0.04 2.34 1.56 1zr6A1 GLU 17 HG3 -2.40 0.02 0.08 -0.04 2.34 -0.00 1zr6A1 ASP 18 H -0.07 0.01 -0.40 -0.55 8.40 7.39 1zr6A1 ASP 18 HA -0.11 0.24 0.69 -0.75 4.63 4.70 1zr6A1 ASP 18 HB2 -0.03 0.02 0.13 -0.04 2.71 2.79 1zr6A1 ASP 18 HB3 -0.07 0.01 0.01 -0.04 2.70 2.61 1zr6A1 SER 19 H 0.06 0.39 -0.39 -0.55 8.46 7.98 1zr6A1 SER 19 HA 0.04 0.23 0.75 -0.75 4.49 4.77 1zr6A1 SER 19 HB2 0.05 -0.10 0.18 -0.04 3.95 4.04 1zr6A1 SER 19 HB3 0.09 0.03 0.09 -0.04 3.93 4.09 1zr6A1 GLU 20 H 0.03 0.18 0.19 -0.55 8.60 8.46 1zr6A1 GLU 20 HA 0.05 0.17 0.48 -0.75 4.29 4.24 1zr6A1 GLU 20 HB2 0.03 -0.03 0.10 -0.04 2.09 2.15 1zr6A1 GLU 20 HB3 0.03 0.05 0.04 -0.04 1.99 2.08 1zr6A1 GLU 20 HG2 0.03 0.07 0.03 -0.04 2.34 2.43 1zr6A1 GLU 20 HG3 0.03 -0.02 0.09 -0.04 2.34 2.40 1zr6A1 GLY 21 H -0.05 0.05 -0.09 -0.55 8.43 7.79 1zr6A1 GLY 21 HA2 -0.21 0.11 0.40 -0.51 4.01 3.81 1zr6A1 GLY 21 HA3 -0.71 0.06 0.25 -0.51 4.01 3.11 1zr6A1 TRP 22 H 0.08 0.08 -0.44 -0.55 7.97 7.15 1zr6A1 TRP 22 HA -0.00 0.04 0.34 -0.75 4.62 4.24 1zr6A1 TRP 22 HB2 0.05 0.05 -0.08 -0.04 3.23 3.22 1zr6A1 TRP 22 HB3 0.02 0.20 -0.02 -0.04 3.23 3.39 1zr6A1 TRP 22 HD1 0.07 0.03 -0.41 -0.04 7.22 6.87 1zr6A1 TRP 22 HE1 0.12 0.06 -0.01 -0.04 10.20 10.32 1zr6A1 TRP 22 HE3 0.19 0.06 -0.39 -0.04 7.59 7.41 1zr6A1 TRP 22 HZ2 0.13 0.12 -0.03 -0.04 7.44 7.62 1zr6A1 TRP 22 HZ3 0.15 -0.10 -0.04 -0.04 7.13 7.10 1zr6A1 TRP 22 HH2 0.11 0.11 -0.45 -0.04 7.19 6.92 1zr6A1 ASP 23 H 0.19 0.24 -0.28 -0.55 8.40 8.01 1zr6A1 ASP 23 HA 0.24 0.06 0.28 -0.75 4.63 4.45 1zr6A1 ASP 23 HB2 0.09 0.06 0.19 -0.04 2.71 3.01 1zr6A1 ASP 23 HB3 0.08 -0.01 -0.05 -0.04 2.70 2.68 1zr6A1 MET 24 H 0.05 0.37 -0.29 -0.55 8.47 8.05 1zr6A1 MET 24 HA 0.12 0.09 0.50 -0.75 4.52 4.48 1zr6A1 MET 24 HB2 0.04 -0.01 0.20 -0.04 2.15 2.33 1zr6A1 MET 24 HB3 0.10 0.06 0.02 -0.04 2.03 2.17 1zr6A1 MET 24 HG2 0.09 0.01 -0.02 -0.04 2.63 2.67 1zr6A1 MET 24 HG3 0.06 0.02 0.00 -0.04 2.56 2.60 1zr6A1 MET 24 HE3 0.13 0.04 -0.01 -0.04 2.10 2.22 1zr6A1 ASP 25 H 0.01 0.49 0.09 -0.55 8.40 8.45 1zr6A1 ASP 25 HA 0.08 0.12 0.50 -0.75 4.63 4.58 1zr6A1 ASP 25 HB2 0.08 0.03 0.02 -0.04 2.71 2.81 1zr6A1 ASP 25 HB3 0.00 -0.08 0.05 -0.04 2.70 2.63 1zr6A1 GLY 26 H -0.09 0.57 -0.28 -0.55 8.43 8.08 1zr6A1 GLY 26 HA2 -0.24 0.02 0.61 -0.51 4.01 3.89 1zr6A1 GLY 26 HA3 -0.61 -0.01 0.31 -0.51 4.01 3.20 1zr6A1 THR 27 H 0.20 0.33 -0.52 -0.55 8.28 7.75 1zr6A1 THR 27 HA 0.13 0.07 0.90 -0.75 4.39 4.73 1zr6A1 THR 27 HB 0.18 0.13 0.16 -0.04 4.32 4.75 1zr6A1 THR 27 HG23 -0.07 -0.00 -0.11 -0.04 1.22 0.99 1zr6A1 ALA 28 H -0.15 0.06 0.06 -0.55 8.40 7.82 1zr6A1 ALA 28 HA 0.23 0.02 0.35 -0.75 4.34 4.19 1zr6A1 ALA 28 HB3 -0.45 -0.03 0.01 -0.04 1.41 0.89 1zr6A1 PHE 29 H 0.23 0.10 0.19 -0.55 8.34 8.30 1zr6A1 PHE 29 HA -0.25 0.26 0.51 -0.75 4.62 4.38 1zr6A1 PHE 29 HB2 -0.17 0.10 0.17 -0.04 3.15 3.20 1zr6A1 PHE 29 HB3 -0.05 -0.05 0.22 -0.04 3.06 3.14 1zr6A1 PHE 29 HD2 0.02 0.20 -0.09 -0.04 7.28 7.37 1zr6A1 PHE 29 HE2 0.27 -0.02 -0.20 -0.04 7.38 7.39 1zr6A1 PHE 29 HZ 0.24 -0.02 -0.14 -0.04 7.32 7.36 1zr6A1 ASN 30 H -0.04 0.09 -0.12 -0.55 8.53 7.90 1zr6A1 ASN 30 HA -0.51 0.16 0.69 -0.75 4.76 4.33 1zr6A1 ASN 30 HB2 -0.38 -0.00 0.05 -0.04 2.88 2.51 1zr6A1 ASN 30 HB3 -0.38 0.04 0.13 -0.04 2.79 2.54 1zr6A1 ASN 30 HD21 -1.31 0.49 0.18 -0.04 7.03 6.35 1zr6A1 ASN 30 HD22 -1.04 0.13 0.13 -0.04 7.74 6.93 1zr6A1 LEU 31 H -0.34 0.72 0.34 -0.55 8.37 8.55 1zr6A1 LEU 31 HA -0.21 0.10 0.26 -0.75 4.35 3.74 1zr6A1 LEU 31 HB2 -0.21 -0.04 0.05 -0.04 1.64 1.40 1zr6A1 LEU 31 HB3 -0.08 -0.01 0.04 -0.04 1.64 1.55 1zr6A1 LEU 31 HG -0.10 0.11 0.07 -0.04 1.64 1.68 1zr6A1 LEU 31 HD13 -0.13 -0.02 -0.09 -0.04 0.93 0.64 1zr6A1 LEU 31 HD23 -0.17 0.01 -0.07 -0.04 0.89 0.62 1zr6A1 ARG 32 H -0.74 -0.01 -0.34 -0.55 8.46 6.82 1zr6A1 ARG 32 HA -0.57 0.10 0.46 -0.75 4.34 3.58 1zr6A1 ARG 32 HB2 -1.82 -0.11 0.09 -0.04 1.90 0.01 1zr6A1 ARG 32 HB3 -0.80 0.06 0.06 -0.04 1.80 1.07 1zr6A1 ARG 32 HG2 -0.32 0.04 -0.03 -0.04 1.67 1.32 1zr6A1 ARG 32 HG3 -0.47 -0.02 0.05 -0.04 1.67 1.19 1zr6A1 ARG 32 HD2 -0.42 -0.04 -0.05 -0.04 3.22 2.68 1zr6A1 ARG 32 HD3 -0.94 -0.05 -0.13 -0.04 3.22 2.06 1zr6A1 VAL 33 H -0.46 0.34 -0.37 -0.55 8.24 7.20 1zr6A1 VAL 33 HA -0.47 0.23 0.82 -0.75 4.13 3.96 1zr6A1 VAL 33 HB -0.18 0.01 0.03 -0.04 2.12 1.94 1zr6A1 VAL 33 HG13 -0.13 -0.01 -0.11 -0.04 0.97 0.68 1zr6A1 VAL 33 HG23 -0.31 -0.02 0.02 -0.04 0.95 0.59 1zr6A1 ASP 34 H -0.44 0.26 -0.23 -0.55 8.40 7.44 1zr6A1 ASP 34 HA -0.52 -0.03 0.64 -0.75 4.63 3.96 1zr6A1 ASP 34 HB2 -0.23 0.04 0.06 -0.04 2.71 2.54 1zr6A1 ASP 34 HB3 -0.22 0.01 0.06 -0.04 2.70 2.50 1zr6A1 TYR 35 H -0.58 0.15 0.17 -0.55 8.29 7.47 1zr6A1 TYR 35 HA -0.04 0.19 0.83 -0.75 4.56 4.78 1zr6A1 TYR 35 HB2 -0.18 -0.02 -0.15 -0.04 3.06 2.67 1zr6A1 TYR 35 HB3 0.04 -0.02 -0.36 -0.04 2.98 2.60 1zr6A1 TYR 35 HD2 -0.18 -0.07 -0.14 -0.04 7.15 6.72 1zr6A1 TYR 35 HE2 -0.10 0.02 -0.12 -0.04 6.85 6.61 1zr6A1 ASP 36 H 0.28 0.09 0.08 -0.55 8.40 8.30 1zr6A1 ASP 36 HA 0.39 0.30 0.89 -0.75 4.63 5.45 1zr6A1 ASP 36 HB2 0.21 0.01 0.02 -0.04 2.71 2.91 1zr6A1 ASP 36 HB3 0.22 -0.10 0.23 -0.04 2.70 3.00 1zr6A1 PRO 37 HA 0.24 -0.00 0.64 -0.51 4.44 4.81 1zr6A1 PRO 37 HB2 -0.02 0.05 0.15 -0.04 2.28 2.43 1zr6A1 PRO 37 HB3 -0.01 0.04 0.15 -0.04 2.02 2.16 1zr6A1 PRO 37 HG2 -0.54 -0.05 -0.03 -0.04 2.03 1.37 1zr6A1 PRO 37 HG3 -0.50 0.04 0.03 -0.04 2.03 1.57 1zr6A1 PRO 37 HD2 0.35 0.15 0.31 -0.04 3.68 4.45 1zr6A1 PRO 37 HD3 0.44 0.21 0.08 -0.04 3.65 4.33 1zr6A1 ALA 38 H 0.20 0.58 0.09 -0.55 8.40 8.72 1zr6A1 ALA 38 HA 0.23 0.08 0.52 -0.75 4.34 4.42 1zr6A1 ALA 38 HB3 0.14 0.01 -0.13 -0.04 1.41 1.38 1zr6A1 ALA 39 H 0.19 0.33 0.07 -0.55 8.40 8.44 1zr6A1 ALA 39 HA 0.57 0.12 0.36 -0.75 4.34 4.64 1zr6A1 ALA 39 HB3 0.15 0.02 -0.09 -0.04 1.41 1.45 1zr6A1 ILE 40 H 0.28 0.21 0.10 -0.55 8.25 8.30 1zr6A1 ILE 40 HA -0.07 0.31 1.08 -0.75 4.18 4.74 1zr6A1 ILE 40 HB 0.01 -0.10 0.11 -0.04 1.89 1.87 1zr6A1 ILE 40 HG12 -0.47 0.10 -0.09 -0.04 1.49 0.98 1zr6A1 ILE 40 HG13 -1.01 -0.10 -0.46 -0.04 1.21 -0.40 1zr6A1 ILE 40 HG23 -0.10 0.00 -0.19 -0.04 0.93 0.60 1zr6A1 ILE 40 HD13 -1.01 0.01 -0.16 -0.04 0.88 -0.32 1zr6A1 ALA 41 H -0.00 0.73 0.32 -0.55 8.40 8.90 1zr6A1 ALA 41 HA 0.08 0.19 0.85 -0.75 4.34 4.71 1zr6A1 ALA 41 HB3 0.03 -0.01 0.02 -0.04 1.41 1.41 1zr6A1 ILE 42 H -0.01 0.72 0.05 -0.55 8.25 8.46 1zr6A1 ILE 42 HA -0.07 0.37 0.93 -0.75 4.18 4.66 1zr6A1 ILE 42 HB -0.12 -0.10 0.03 -0.04 1.89 1.66 1zr6A1 ILE 42 HG12 -0.30 0.06 -0.24 -0.04 1.49 0.96 1zr6A1 ILE 42 HG13 -0.30 -0.04 -0.60 -0.04 1.21 0.24 1zr6A1 ILE 42 HG23 -0.08 0.01 -0.06 -0.04 0.93 0.75 1zr6A1 ILE 42 HD13 -0.82 -0.02 -0.23 -0.04 0.88 -0.23 1zr6A1 PRO 43 HA -0.01 -0.00 0.47 -0.51 4.44 4.39 1zr6A1 PRO 43 HB2 -0.01 -0.04 -0.10 -0.04 2.28 2.09 1zr6A1 PRO 43 HB3 0.00 0.07 -0.26 -0.04 2.02 1.79 1zr6A1 PRO 43 HG2 -0.01 0.03 -0.08 -0.04 2.03 1.93 1zr6A1 PRO 43 HG3 -0.01 0.02 -0.13 -0.04 2.03 1.87 1zr6A1 PRO 43 HD2 -0.02 0.43 -0.07 -0.04 3.68 3.97 1zr6A1 PRO 43 HD3 -0.01 0.04 -0.30 -0.04 3.65 3.34 1zr6A1 ARG 44 H -0.01 0.05 0.22 -0.55 8.46 8.16 1zr6A1 ARG 44 HA -0.04 0.25 0.84 -0.75 4.34 4.64 1zr6A1 ARG 44 HB2 -0.03 -0.02 0.07 -0.04 1.90 1.89 1zr6A1 ARG 44 HB3 -0.04 0.00 0.16 -0.04 1.80 1.88 1zr6A1 ARG 44 HG2 -0.04 0.07 -0.10 -0.04 1.67 1.56 1zr6A1 ARG 44 HG3 -0.04 -0.01 0.01 -0.04 1.67 1.58 1zr6A1 ARG 44 HD2 -0.07 -0.01 -0.01 -0.04 3.22 3.09 1zr6A1 ARG 44 HD3 -0.05 0.20 -0.29 -0.04 3.22 3.04 1zr6A1 SER 45 H -0.01 0.12 0.14 -0.55 8.46 8.16 1zr6A1 SER 45 HA -0.02 0.22 0.58 -0.75 4.49 4.52 1zr6A1 SER 45 HB2 -0.01 -0.04 0.17 -0.04 3.95 4.03 1zr6A1 SER 45 HB3 -0.01 0.24 -0.15 -0.04 3.93 3.97 1zr6A1 THR 46 H -0.01 0.25 0.15 -0.55 8.28 8.12 1zr6A1 THR 46 HA -0.01 0.11 0.40 -0.75 4.39 4.14 1zr6A1 THR 46 HB 0.00 0.01 0.09 -0.04 4.32 4.38 1zr6A1 THR 46 HG23 0.00 0.02 -0.12 -0.04 1.22 1.08 1zr6A1 GLU 47 H 0.00 0.10 -0.10 -0.55 8.60 8.06 1zr6A1 GLU 47 HA 0.01 0.13 0.39 -0.75 4.29 4.07 1zr6A1 GLU 47 HB2 0.01 0.02 0.08 -0.04 2.09 2.15 1zr6A1 GLU 47 HB3 0.00 -0.02 0.03 -0.04 1.99 1.96 1zr6A1 GLU 47 HG2 0.01 0.05 -0.17 -0.04 2.34 2.20 1zr6A1 GLU 47 HG3 0.01 0.02 0.04 -0.04 2.34 2.37 1zr6A1 ASP 48 H 0.00 -0.01 -0.39 -0.55 8.40 7.46 1zr6A1 ASP 48 HA 0.01 0.19 0.39 -0.75 4.63 4.47 1zr6A1 ASP 48 HB2 -0.00 -0.10 0.23 -0.04 2.71 2.79 1zr6A1 ASP 48 HB3 0.00 0.03 0.05 -0.04 2.70 2.75 1zr6A1 ILE 49 H 0.00 0.38 -0.19 -0.55 8.25 7.90 1zr6A1 ILE 49 HA 0.01 0.04 0.39 -0.75 4.18 3.87 1zr6A1 ILE 49 HB -0.00 0.15 0.15 -0.04 1.89 2.14 1zr6A1 ILE 49 HG12 -0.01 0.01 -0.06 -0.04 1.49 1.39 1zr6A1 ILE 49 HG13 -0.01 0.07 0.01 -0.04 1.21 1.24 1zr6A1 ILE 49 HG23 -0.02 0.00 -0.16 -0.04 0.93 0.71 1zr6A1 ILE 49 HD13 -0.03 -0.02 -0.14 -0.04 0.88 0.66 1zr6A1 ALA 50 H 0.02 0.43 -0.13 -0.55 8.40 8.18 1zr6A1 ALA 50 HA 0.06 0.02 0.39 -0.75 4.34 4.05 1zr6A1 ALA 50 HB3 0.03 0.06 0.08 -0.04 1.41 1.55 1zr6A1 ALA 51 H 0.02 0.50 -0.19 -0.55 8.40 8.19 1zr6A1 ALA 51 HA 0.02 0.04 0.43 -0.75 4.34 4.08 1zr6A1 ALA 51 HB3 0.02 0.02 0.09 -0.04 1.41 1.50 1zr6A1 ALA 52 H 0.03 0.53 -0.22 -0.55 8.40 8.20 1zr6A1 ALA 52 HA 0.03 0.01 0.38 -0.75 4.34 4.00 1zr6A1 ALA 52 HB3 0.03 0.02 0.03 -0.04 1.41 1.45 1zr6A1 VAL 53 H 0.06 0.56 -0.18 -0.55 8.24 8.13 1zr6A1 VAL 53 HA 0.12 0.02 0.35 -0.75 4.13 3.87 1zr6A1 VAL 53 HB 0.10 0.12 0.13 -0.04 2.12 2.43 1zr6A1 VAL 53 HG13 0.15 0.01 -0.18 -0.04 0.97 0.91 1zr6A1 VAL 53 HG23 0.21 0.03 -0.08 -0.04 0.95 1.08 1zr6A1 GLN 54 H 0.04 0.50 -0.27 -0.55 8.47 8.20 1zr6A1 GLN 54 HA 0.02 0.03 0.36 -0.75 4.36 4.02 1zr6A1 GLN 54 HB2 0.02 0.06 0.11 -0.04 2.15 2.30 1zr6A1 GLN 54 HB3 0.02 0.15 0.12 -0.04 2.02 2.28 1zr6A1 GLN 54 HG2 0.01 -0.02 -0.02 -0.04 2.40 2.33 1zr6A1 GLN 54 HG3 0.01 -0.04 -0.15 -0.04 2.39 2.17 1zr6A1 GLN 54 HE21 -0.00 0.02 -0.01 -0.04 6.97 6.93 1zr6A1 GLN 54 HE22 0.00 -0.05 0.01 -0.04 7.69 7.61 1zr6A1 CYS 55 H 0.03 0.45 -0.25 -0.55 8.50 8.18 1zr6A1 CYS 55 HA 0.01 0.01 0.41 -0.75 4.58 4.25 1zr6A1 CYS 55 HB2 0.02 0.16 0.12 -0.04 2.97 3.23 1zr6A1 CYS 55 HB3 0.01 -0.08 -0.03 -0.04 2.97 2.82 1zr6A1 GLY 56 H 0.04 0.47 -0.28 -0.55 8.43 8.12 1zr6A1 GLY 56 HA2 0.03 -0.04 0.41 -0.51 4.01 3.89 1zr6A1 GLY 56 HA3 0.04 0.09 0.24 -0.51 4.01 3.88 1zr6A1 LEU 57 H 0.01 0.48 -0.18 -0.55 8.37 8.14 1zr6A1 LEU 57 HA -0.02 0.06 0.46 -0.75 4.35 4.09 1zr6A1 LEU 57 HB2 -0.00 0.13 0.19 -0.04 1.64 1.91 1zr6A1 LEU 57 HB3 -0.02 -0.06 0.02 -0.04 1.64 1.54 1zr6A1 LEU 57 HG -0.01 0.23 0.04 -0.04 1.64 1.86 1zr6A1 LEU 57 HD13 -0.02 -0.02 -0.07 -0.04 0.93 0.78 1zr6A1 LEU 57 HD23 -0.08 0.03 0.06 -0.04 0.89 0.86 1zr6A1 ASP 58 H 0.00 0.54 -0.13 -0.55 8.40 8.26 1zr6A1 ASP 58 HA -0.00 0.01 0.39 -0.75 4.63 4.26 1zr6A1 ASP 58 HB2 0.00 0.12 0.13 -0.04 2.71 2.91 1zr6A1 ASP 58 HB3 -0.00 -0.08 0.02 -0.04 2.70 2.60 1zr6A1 ALA 59 H 0.00 0.30 -0.46 -0.55 8.40 7.70 1zr6A1 ALA 59 HA 0.00 0.04 0.59 -0.75 4.34 4.22 1zr6A1 ALA 59 HB3 0.02 -0.02 0.07 -0.04 1.41 1.43 1zr6A1 GLY 60 H -0.01 0.35 -0.24 -0.55 8.43 7.98 1zr6A1 GLY 60 HA2 -0.02 0.03 0.33 -0.51 4.01 3.84 1zr6A1 GLY 60 HA3 -0.01 0.00 0.49 -0.51 4.01 3.98 1zr6A1 VAL 61 H -0.01 0.33 0.02 -0.55 8.24 8.03 1zr6A1 VAL 61 HA -0.04 0.20 0.99 -0.75 4.13 4.53 1zr6A1 VAL 61 HB -0.00 0.11 0.23 -0.04 2.12 2.41 1zr6A1 VAL 61 HG13 0.03 -0.01 -0.14 -0.04 0.97 0.80 1zr6A1 VAL 61 HG23 0.03 -0.01 -0.05 -0.04 0.95 0.88 1zr6A1 GLN 62 H -0.21 0.12 0.20 -0.55 8.47 8.04 1zr6A1 GLN 62 HA -0.08 0.19 0.74 -0.75 4.36 4.46 1zr6A1 GLN 62 HB2 -0.93 -0.09 0.09 -0.04 2.15 1.17 1zr6A1 GLN 62 HB3 -0.21 0.12 0.04 -0.04 2.02 1.92 1zr6A1 GLN 62 HG2 -0.10 0.13 0.11 -0.04 2.40 2.50 1zr6A1 GLN 62 HG3 -0.18 -0.09 0.03 -0.04 2.39 2.12 1zr6A1 GLN 62 HE21 0.03 -0.14 -0.11 -0.04 6.97 6.70 1zr6A1 GLN 62 HE22 -0.03 0.48 0.12 -0.04 7.69 8.22 1zr6A1 ILE 63 H 0.15 0.78 0.35 -0.55 8.25 8.99 1zr6A1 ILE 63 HA 0.14 0.19 1.01 -0.75 4.18 4.77 1zr6A1 ILE 63 HB 0.46 -0.07 -0.00 -0.04 1.89 2.24 1zr6A1 ILE 63 HG12 0.09 -0.04 -0.21 -0.04 1.49 1.30 1zr6A1 ILE 63 HG13 0.08 0.12 -0.40 -0.04 1.21 0.96 1zr6A1 ILE 63 HG23 0.13 -0.03 -0.23 -0.04 0.93 0.75 1zr6A1 ILE 63 HD13 0.12 -0.06 -0.03 -0.04 0.88 0.87 1zr6A1 SER 64 H 0.13 0.71 0.19 -0.55 8.46 8.94 1zr6A1 SER 64 HA 0.10 0.14 1.03 -0.75 4.49 5.01 1zr6A1 SER 64 HB2 0.11 0.04 -0.27 -0.04 3.95 3.78 1zr6A1 SER 64 HB3 0.20 0.04 -0.37 -0.04 3.93 3.75 1zr6A1 ALA 65 H -0.03 0.12 0.16 -0.55 8.40 8.10 1zr6A1 ALA 65 HA -0.03 0.13 0.70 -0.75 4.34 4.38 1zr6A1 ALA 65 HB3 -0.06 -0.01 0.09 -0.04 1.41 1.38 1zr6A1 LYS 66 H -0.01 0.73 0.37 -0.55 8.42 8.95 1zr6A1 LYS 66 HA 0.04 -0.05 0.94 -0.75 4.32 4.50 1zr6A1 LYS 66 HB2 -0.11 0.28 -0.05 -0.04 1.87 1.94 1zr6A1 LYS 66 HB3 -0.06 0.00 0.15 -0.04 1.79 1.83 1zr6A1 LYS 66 HG2 0.03 -0.08 -0.29 -0.04 1.46 1.08 1zr6A1 LYS 66 HG3 0.02 -0.20 0.01 -0.04 1.46 1.25 1zr6A1 LYS 66 HD2 -0.31 0.13 -0.09 -0.04 1.69 1.38 1zr6A1 LYS 66 HD3 -0.07 -0.03 -0.04 -0.04 1.68 1.49 1zr6A1 LYS 66 HE2 0.09 -0.08 -0.18 -0.04 2.99 2.78 1zr6A1 LYS 66 HE3 0.13 -0.10 -0.05 -0.04 2.99 2.93 1zr6A1 GLY 67 H 0.08 -0.05 0.13 -0.55 8.43 8.04 1zr6A1 GLY 67 HA2 0.07 0.29 0.83 -0.51 4.01 4.69 1zr6A1 GLY 67 HA3 0.09 -0.13 0.46 -0.51 4.01 3.92 1zr6A1 GLY 68 H 0.07 -0.13 0.27 -0.55 8.43 8.09 1zr6A1 GLY 68 HA2 0.00 0.42 0.80 -0.51 4.01 4.72 1zr6A1 GLY 68 HA3 0.00 -0.01 0.39 -0.51 4.01 3.88 1zr6A1 GLY 69 H 0.09 -0.15 0.05 -0.55 8.43 7.87 1zr6A1 GLY 69 HA2 0.14 -0.08 0.33 -0.51 4.01 3.89 1zr6A1 GLY 69 HA3 0.13 0.32 0.41 -0.51 4.01 4.36 1zr6A1 HIS 70 H 0.12 -0.12 -0.16 -0.55 8.41 7.71 1zr6A1 HIS 70 HA -0.01 0.36 0.80 -0.75 4.63 5.03 1zr6A1 HIS 70 HB2 -0.08 -0.18 -0.00 -0.04 3.26 2.96 1zr6A1 HIS 70 HB3 -0.04 0.02 0.06 -0.04 3.20 3.19 1zr6A1 HIS 70 HD2 -0.23 0.23 -0.30 -0.04 6.97 6.62 1zr6A1 HIS 70 HE1 -0.92 0.03 -0.10 -0.04 7.75 6.72 1zr6A1 SER 71 H 0.11 -0.07 -0.19 -0.55 8.46 7.76 1zr6A1 SER 71 HA -0.06 0.17 0.45 -0.75 4.49 4.30 1zr6A1 SER 71 HB2 0.09 0.10 0.10 -0.04 3.95 4.19 1zr6A1 SER 71 HB3 0.07 -0.13 0.13 -0.04 3.93 3.96 1zr6A1 TYR 72 H -0.06 0.19 0.21 -0.55 8.29 8.08 1zr6A1 TYR 72 HA 0.18 0.16 0.43 -0.75 4.56 4.58 1zr6A1 TYR 72 HB2 0.08 0.01 0.09 -0.04 3.06 3.20 1zr6A1 TYR 72 HB3 0.11 0.03 0.13 -0.04 2.98 3.20 1zr6A1 TYR 72 HD2 0.35 0.06 -0.12 -0.04 7.15 7.40 1zr6A1 TYR 72 HE2 0.27 0.00 0.03 -0.04 6.85 7.11 1zr6A1 GLY 73 H -0.30 -0.09 -0.33 -0.55 8.43 7.16 1zr6A1 GLY 73 HA2 -0.19 0.31 0.80 -0.51 4.01 4.42 1zr6A1 GLY 73 HA3 -0.68 0.01 0.20 -0.51 4.01 3.03 1zr6A1 SER 74 H -0.16 0.30 -0.37 -0.55 8.46 7.68 1zr6A1 SER 74 HA 0.07 -0.01 0.31 -0.75 4.49 4.10 1zr6A1 SER 74 HB2 0.12 0.20 0.06 -0.04 3.95 4.29 1zr6A1 SER 74 HB3 -0.18 -0.07 0.17 -0.04 3.93 3.81 1zr6A1 TYR 75 H -0.16 0.01 -0.13 -0.55 8.29 7.46 1zr6A1 TYR 75 HA 0.11 0.14 0.38 -0.75 4.56 4.44 1zr6A1 TYR 75 HB2 0.16 -0.06 0.01 -0.04 3.06 3.13 1zr6A1 TYR 75 HB3 0.21 0.09 0.04 -0.04 2.98 3.28 1zr6A1 TYR 75 HD2 -0.01 0.00 -0.17 -0.04 7.15 6.93 1zr6A1 TYR 75 HE2 -0.01 0.08 -0.08 -0.04 6.85 6.80 1zr6A1 GLY 76 H 0.25 -0.00 -0.35 -0.55 8.43 7.78 1zr6A1 GLY 76 HA2 0.12 0.41 0.50 -0.51 4.01 4.52 1zr6A1 GLY 76 HA3 0.11 -0.10 0.28 -0.51 4.01 3.79 1zr6A1 PHE 77 H 0.41 0.20 -0.49 -0.55 8.34 7.90 1zr6A1 PHE 77 HA 0.02 0.19 0.63 -0.75 4.62 4.71 1zr6A1 PHE 77 HB2 0.07 0.15 0.08 -0.04 3.15 3.40 1zr6A1 PHE 77 HB3 0.04 0.06 -0.01 -0.04 3.06 3.10 1zr6A1 PHE 77 HD2 0.08 -0.14 -0.13 -0.04 7.28 7.04 1zr6A1 PHE 77 HE2 0.02 0.13 -0.08 -0.04 7.38 7.42 1zr6A1 PHE 77 HZ 0.03 0.07 -0.70 -0.04 7.32 6.68 1zr6A1 GLY 78 H 0.16 0.06 -0.31 -0.55 8.43 7.80 1zr6A1 GLY 78 HA2 0.04 0.07 0.28 -0.51 4.01 3.89 1zr6A1 GLY 78 HA3 -0.71 0.27 0.70 -0.51 4.01 3.77 1zr6A1 GLY 79 H -0.02 0.22 -0.11 -0.55 8.43 7.98 1zr6A1 GLY 79 HA2 -0.17 0.27 0.23 -0.51 4.01 3.83 1zr6A1 GLY 79 HA3 0.13 -0.09 0.47 -0.51 4.01 4.01 1zr6A1 GLU 80 H -0.54 0.30 -0.41 -0.55 8.60 7.40 1zr6A1 GLU 80 HA -0.96 0.07 0.40 -0.75 4.29 3.06 1zr6A1 GLU 80 HB2 -0.07 -0.07 0.11 -0.04 2.09 2.02 1zr6A1 GLU 80 HB3 -0.16 0.09 -0.18 -0.04 1.99 1.69 1zr6A1 GLU 80 HG2 -0.19 -0.03 -0.30 -0.04 2.34 1.77 1zr6A1 GLU 80 HG3 0.05 0.27 -0.33 -0.04 2.34 2.29 1zr6A1 ASP 81 H 0.05 0.10 0.12 -0.55 8.40 8.12 1zr6A1 ASP 81 HA 0.20 0.03 0.48 -0.75 4.63 4.58 1zr6A1 ASP 81 HB2 0.13 -0.01 0.11 -0.04 2.71 2.90 1zr6A1 ASP 81 HB3 0.17 0.10 0.13 -0.04 2.70 3.06 1zr6A1 GLY 82 H 0.22 0.63 0.29 -0.55 8.43 9.01 1zr6A1 GLY 82 HA2 0.18 -0.00 0.34 -0.51 4.01 4.01 1zr6A1 GLY 82 HA3 0.17 0.10 0.45 -0.51 4.01 4.22 1zr6A1 HIS 83 H 0.31 0.19 -0.02 -0.55 8.41 8.34 1zr6A1 HIS 83 HA 0.07 0.25 0.92 -0.75 4.63 5.12 1zr6A1 HIS 83 HB2 0.09 0.15 -0.04 -0.04 3.26 3.41 1zr6A1 HIS 83 HB3 0.08 -0.00 -0.21 -0.04 3.20 3.02 1zr6A1 HIS 83 HD2 0.06 0.02 -0.43 -0.04 6.97 6.57 1zr6A1 HIS 83 HE1 0.06 0.17 0.01 -0.04 7.75 7.94 1zr6A1 LEU 84 H 0.11 0.76 0.32 -0.55 8.37 9.01 1zr6A1 LEU 84 HA 0.09 -0.03 0.68 -0.75 4.35 4.34 1zr6A1 LEU 84 HB2 0.07 -0.02 0.03 -0.04 1.64 1.68 1zr6A1 LEU 84 HB3 0.08 0.10 0.13 -0.04 1.64 1.91 1zr6A1 LEU 84 HG 0.06 -0.04 -0.46 -0.04 1.64 1.16 1zr6A1 LEU 84 HD13 0.05 0.00 -0.19 -0.04 0.93 0.76 1zr6A1 LEU 84 HD23 0.06 -0.01 -0.13 -0.04 0.89 0.76 1zr6A1 MET 85 H -0.00 0.63 0.39 -0.55 8.47 8.94 1zr6A1 MET 85 HA -0.02 0.32 0.92 -0.75 4.52 4.98 1zr6A1 MET 85 HB2 -0.22 0.04 0.10 -0.04 2.15 2.03 1zr6A1 MET 85 HB3 -0.20 0.01 0.28 -0.04 2.03 2.07 1zr6A1 MET 85 HG2 -0.16 -0.16 -0.49 -0.04 2.63 1.78 1zr6A1 MET 85 HG3 -0.22 0.16 -0.08 -0.04 2.56 2.38 1zr6A1 MET 85 HE3 -1.33 0.05 -0.15 -0.04 2.10 0.62 1zr6A1 LEU 86 H -0.03 0.71 0.25 -0.55 8.37 8.75 1zr6A1 LEU 86 HA -0.02 0.15 0.90 -0.75 4.35 4.63 1zr6A1 LEU 86 HB2 -0.03 0.01 0.02 -0.04 1.64 1.61 1zr6A1 LEU 86 HB3 -0.02 -0.06 0.01 -0.04 1.64 1.52 1zr6A1 LEU 86 HG 0.00 -0.00 -0.08 -0.04 1.64 1.52 1zr6A1 LEU 86 HD13 0.03 0.04 -0.43 -0.04 0.93 0.52 1zr6A1 LEU 86 HD23 -0.01 -0.01 -0.10 -0.04 0.89 0.74 1zr6A1 GLU 87 H -0.06 0.62 0.14 -0.55 8.60 8.76 1zr6A1 GLU 87 HA -0.04 0.03 0.67 -0.75 4.29 4.20 1zr6A1 GLU 87 HB2 -0.07 0.03 0.06 -0.04 2.09 2.07 1zr6A1 GLU 87 HB3 -0.07 0.11 0.18 -0.04 1.99 2.17 1zr6A1 GLU 87 HG2 0.05 0.01 -0.03 -0.04 2.34 2.34 1zr6A1 GLU 87 HG3 0.02 -0.13 -0.19 -0.04 2.34 2.00 1zr6A1 LEU 88 H 0.01 0.65 0.44 -0.55 8.37 8.93 1zr6A1 LEU 88 HA 0.01 0.20 0.81 -0.75 4.35 4.61 1zr6A1 LEU 88 HB2 0.05 0.10 0.11 -0.04 1.64 1.86 1zr6A1 LEU 88 HB3 0.04 -0.12 0.05 -0.04 1.64 1.57 1zr6A1 LEU 88 HG 0.00 0.19 0.05 -0.04 1.64 1.85 1zr6A1 LEU 88 HD13 0.02 -0.03 -0.10 -0.04 0.93 0.78 1zr6A1 LEU 88 HD23 -0.01 -0.01 -0.19 -0.04 0.89 0.64 1zr6A1 ASP 89 H 0.06 0.15 -0.05 -0.55 8.40 8.01 1zr6A1 ASP 89 HA 0.12 0.21 0.32 -0.75 4.63 4.52 1zr6A1 ASP 89 HB2 0.07 0.09 0.09 -0.04 2.71 2.92 1zr6A1 ASP 89 HB3 0.07 0.19 0.18 -0.04 2.70 3.09 1zr6A1 ARG 90 H 0.08 0.18 -0.69 -0.55 8.46 7.47 1zr6A1 ARG 90 HA 0.29 0.08 0.65 -0.75 4.34 4.61 1zr6A1 ARG 90 HB2 -0.01 0.13 -0.05 -0.04 1.90 1.93 1zr6A1 ARG 90 HB3 -0.05 -0.02 0.01 -0.04 1.80 1.70 1zr6A1 ARG 90 HG2 -0.15 0.01 -0.04 -0.04 1.67 1.46 1zr6A1 ARG 90 HG3 -0.27 -0.04 0.01 -0.04 1.67 1.33 1zr6A1 ARG 90 HD2 0.09 -0.06 -0.33 -0.04 3.22 2.88 1zr6A1 ARG 90 HD3 -0.01 0.07 -0.12 -0.04 3.22 3.11 1zr6A1 MET 91 H 0.08 0.64 -0.09 -0.55 8.47 8.55 1zr6A1 MET 91 HA -0.12 0.10 0.79 -0.75 4.52 4.54 1zr6A1 MET 91 HB2 0.03 0.12 0.23 -0.04 2.15 2.49 1zr6A1 MET 91 HB3 -0.00 -0.09 0.07 -0.04 2.03 1.97 1zr6A1 MET 91 HG2 -0.04 0.04 -0.20 -0.04 2.63 2.40 1zr6A1 MET 91 HG3 -0.02 0.18 -0.12 -0.04 2.56 2.56 1zr6A1 MET 91 HE3 -0.02 0.01 -0.26 -0.04 2.10 1.79 1zr6A1 TYR 92 H -0.55 0.24 -0.10 -0.55 8.29 7.32 1zr6A1 TYR 92 HA 0.05 0.15 0.76 -0.75 4.56 4.77 1zr6A1 TYR 92 HB2 -0.20 -0.07 0.09 -0.04 3.06 2.84 1zr6A1 TYR 92 HB3 -0.08 0.18 -0.40 -0.04 2.98 2.64 1zr6A1 TYR 92 HD2 -0.29 0.10 -0.30 -0.04 7.15 6.62 1zr6A1 TYR 92 HE2 0.09 -0.00 -0.02 -0.04 6.85 6.88 1zr6A1 ARG 93 H -0.10 0.05 0.01 -0.55 8.46 7.86 1zr6A1 ARG 93 HA 0.11 0.07 0.41 -0.75 4.34 4.17 1zr6A1 ARG 93 HB2 -0.07 0.02 0.11 -0.04 1.90 1.93 1zr6A1 ARG 93 HB3 0.01 -0.06 0.08 -0.04 1.80 1.78 1zr6A1 ARG 93 HG2 0.06 0.04 -0.38 -0.04 1.67 1.34 1zr6A1 ARG 93 HG3 0.05 0.04 -0.02 -0.04 1.67 1.69 1zr6A1 ARG 93 HD2 0.02 0.03 -0.08 -0.04 3.22 3.15 1zr6A1 ARG 93 HD3 -0.01 0.01 -0.02 -0.04 3.22 3.17 1zr6A1 VAL 94 H 0.19 0.20 0.22 -0.55 8.24 8.31 1zr6A1 VAL 94 HA 0.13 0.38 1.06 -0.75 4.13 4.95 1zr6A1 VAL 94 HB 0.07 -0.04 0.12 -0.04 2.12 2.23 1zr6A1 VAL 94 HG13 0.03 0.00 -0.22 -0.04 0.97 0.74 1zr6A1 VAL 94 HG23 0.23 0.04 -0.12 -0.04 0.95 1.06 1zr6A1 SER 95 H 0.08 0.62 0.27 -0.55 8.46 8.89 1zr6A1 SER 95 HA 0.04 0.16 0.88 -0.75 4.49 4.82 1zr6A1 SER 95 HB2 0.05 0.00 -0.16 -0.04 3.95 3.80 1zr6A1 SER 95 HB3 0.05 -0.05 0.06 -0.04 3.93 3.95 1zr6A1 VAL 96 H 0.02 0.22 0.13 -0.55 8.24 8.05 1zr6A1 VAL 96 HA 0.03 0.27 0.88 -0.75 4.13 4.56 1zr6A1 VAL 96 HB -0.01 0.03 0.13 -0.04 2.12 2.24 1zr6A1 VAL 96 HG13 -0.01 0.06 -0.20 -0.04 0.97 0.78 1zr6A1 VAL 96 HG23 -0.01 -0.00 -0.16 -0.04 0.95 0.74 1zr6A1 ASP 97 H 0.03 0.53 0.23 -0.55 8.40 8.64 1zr6A1 ASP 97 HA 0.02 0.22 0.75 -0.75 4.63 4.87 1zr6A1 ASP 97 HB2 0.02 -0.10 0.19 -0.04 2.71 2.78 1zr6A1 ASP 97 HB3 0.02 0.08 0.05 -0.04 2.70 2.82 1zr6A1 ASP 98 H 0.01 0.16 0.16 -0.55 8.40 8.18 1zr6A1 ASP 98 HA 0.01 0.18 0.42 -0.75 4.63 4.48 1zr6A1 ASP 98 HB2 0.01 -0.02 0.08 -0.04 2.71 2.74 1zr6A1 ASP 98 HB3 0.01 0.05 0.14 -0.04 2.70 2.85 1zr6A1 ASN 99 H 0.02 -0.04 -0.51 -0.55 8.53 7.45 1zr6A1 ASN 99 HA 0.02 0.24 0.76 -0.75 4.76 5.02 1zr6A1 ASN 99 HB2 0.03 -0.08 0.00 -0.04 2.88 2.79 1zr6A1 ASN 99 HB3 0.03 0.07 0.12 -0.04 2.79 2.97 1zr6A1 ASN 99 HD21 0.01 0.02 -0.04 -0.04 7.03 6.98 1zr6A1 ASN 99 HD22 0.02 -0.03 -0.02 -0.04 7.74 7.66 1zr6A1 ASN 100 H 0.02 0.47 -0.30 -0.55 8.53 8.17 1zr6A1 ASN 100 HA 0.01 0.12 0.22 -0.75 4.76 4.35 1zr6A1 ASN 100 HB2 0.04 0.27 -0.02 -0.04 2.88 3.13 1zr6A1 ASN 100 HB3 0.01 -0.03 0.15 -0.04 2.79 2.88 1zr6A1 ASN 100 HD21 0.00 -0.02 -0.08 -0.04 7.03 6.89 1zr6A1 ASN 100 HD22 0.02 0.01 -0.11 -0.04 7.74 7.62 1zr6A1 VAL 101 H 0.04 -0.14 -0.31 -0.55 8.24 7.29 1zr6A1 VAL 101 HA 0.11 0.33 0.80 -0.75 4.13 4.62 1zr6A1 VAL 101 HB 0.06 -0.18 0.03 -0.04 2.12 1.99 1zr6A1 VAL 101 HG13 0.10 0.01 -0.26 -0.04 0.97 0.78 1zr6A1 VAL 101 HG23 0.07 0.03 -0.13 -0.04 0.95 0.87 1zr6A1 ALA 102 H 0.16 0.80 0.27 -0.55 8.40 9.09 1zr6A1 ALA 102 HA 0.08 0.29 1.05 -0.75 4.34 5.01 1zr6A1 ALA 102 HB3 0.09 0.00 -0.14 -0.04 1.41 1.32 1zr6A1 THR 103 H 0.10 0.78 0.36 -0.55 8.28 8.97 1zr6A1 THR 103 HA 0.16 0.27 0.91 -0.75 4.39 4.97 1zr6A1 THR 103 HB 0.08 0.03 0.20 -0.04 4.32 4.59 1zr6A1 THR 103 HG23 0.08 -0.02 -0.20 -0.04 1.22 1.04 1zr6A1 ILE 104 H 0.27 0.69 0.27 -0.55 8.25 8.93 1zr6A1 ILE 104 HA 0.19 0.32 1.04 -0.75 4.18 4.98 1zr6A1 ILE 104 HB 0.45 -0.06 0.00 -0.04 1.89 2.24 1zr6A1 ILE 104 HG12 0.14 0.03 -0.22 -0.04 1.49 1.39 1zr6A1 ILE 104 HG13 0.25 -0.07 -0.75 -0.04 1.21 0.61 1zr6A1 ILE 104 HG23 0.20 0.04 -0.18 -0.04 0.93 0.96 1zr6A1 ILE 104 HD13 0.02 -0.00 -0.21 -0.04 0.88 0.65 1zr6A1 GLN 105 H 0.15 0.58 0.09 -0.55 8.47 8.75 1zr6A1 GLN 105 HA 0.09 0.12 0.64 -0.75 4.36 4.47 1zr6A1 GLN 105 HB2 0.08 -0.14 -0.27 -0.04 2.15 1.79 1zr6A1 GLN 105 HB3 0.05 0.06 -0.01 -0.04 2.02 2.08 1zr6A1 GLN 105 HG2 0.03 0.05 0.02 -0.04 2.40 2.46 1zr6A1 GLN 105 HG3 0.05 0.11 0.02 -0.04 2.39 2.52 1zr6A1 GLN 105 HE21 -0.03 0.08 0.01 -0.04 6.97 6.98 1zr6A1 GLN 105 HE22 -0.01 -0.01 -0.02 -0.04 7.69 7.60 1zr6A1 GLY 106 H 0.04 0.67 0.15 -0.55 8.43 8.74 1zr6A1 GLY 106 HA2 0.36 -0.05 0.22 -0.51 4.01 4.03 1zr6A1 GLY 106 HA3 0.06 0.30 0.34 -0.51 4.01 4.20 1zr6A1 GLY 107 H 0.12 0.42 -0.32 -0.55 8.43 8.11 1zr6A1 GLY 107 HA2 0.10 -0.02 0.79 -0.51 4.01 4.37 1zr6A1 GLY 107 HA3 0.10 0.27 0.05 -0.51 4.01 3.93 1zr6A1 ALA 108 H 0.17 0.43 -0.05 -0.55 8.40 8.40 1zr6A1 ALA 108 HA 0.13 0.07 0.47 -0.75 4.34 4.26 1zr6A1 ALA 108 HB3 0.20 -0.01 0.03 -0.04 1.41 1.59 1zr6A1 ARG 109 H 0.02 0.16 0.23 -0.55 8.46 8.31 1zr6A1 ARG 109 HA -0.08 0.12 0.91 -0.75 4.34 4.54 1zr6A1 ARG 109 HB2 -0.10 0.00 0.17 -0.04 1.90 1.93 1zr6A1 ARG 109 HB3 -0.16 0.14 0.04 -0.04 1.80 1.77 1zr6A1 ARG 109 HG2 -0.12 -0.04 -0.22 -0.04 1.67 1.24 1zr6A1 ARG 109 HG3 -0.08 0.03 -0.14 -0.04 1.67 1.44 1zr6A1 ARG 109 HD2 -0.20 0.10 -0.24 -0.04 3.22 2.84 1zr6A1 ARG 109 HD3 -0.32 -0.07 0.01 -0.04 3.22 2.80 1zr6A1 LEU 110 H -0.20 0.60 0.10 -0.55 8.37 8.33 1zr6A1 LEU 110 HA -0.32 -0.00 0.25 -0.75 4.35 3.52 1zr6A1 LEU 110 HB2 -0.26 0.13 -0.01 -0.04 1.64 1.45 1zr6A1 LEU 110 HB3 -0.48 0.03 -0.18 -0.04 1.64 0.97 1zr6A1 LEU 110 HG -0.35 0.12 -0.13 -0.04 1.64 1.23 1zr6A1 LEU 110 HD13 -0.49 0.04 -0.20 -0.04 0.93 0.24 1zr6A1 LEU 110 HD23 -0.41 -0.03 -0.19 -0.04 0.89 0.22 1zr6A1 GLY 111 H -0.14 0.52 0.13 -0.55 8.43 8.39 1zr6A1 GLY 111 HA2 -0.09 0.02 0.42 -0.51 4.01 3.86 1zr6A1 GLY 111 HA3 -0.07 0.37 0.50 -0.51 4.01 4.30 1zr6A1 TYR 112 H 0.05 0.20 -0.00 -0.55 8.29 7.99 1zr6A1 TYR 112 HA -0.05 -0.00 0.40 -0.75 4.56 4.15 1zr6A1 TYR 112 HB2 -0.13 0.05 0.08 -0.04 3.06 3.02 1zr6A1 TYR 112 HB3 -0.09 0.02 0.15 -0.04 2.98 3.02 1zr6A1 TYR 112 HD2 -0.02 -0.02 -0.11 -0.04 7.15 6.96 1zr6A1 TYR 112 HE2 0.13 0.09 -0.01 -0.04 6.85 7.01 1zr6A1 THR 113 H 0.03 0.50 -0.27 -0.55 8.28 8.00 1zr6A1 THR 113 HA -0.05 0.01 0.34 -0.75 4.39 3.94 1zr6A1 THR 113 HB -0.15 0.09 0.04 -0.04 4.32 4.27 1zr6A1 THR 113 HG23 -0.09 -0.02 -0.24 -0.04 1.22 0.83 1zr6A1 ALA 114 H -0.10 0.70 -0.09 -0.55 8.40 8.36 1zr6A1 ALA 114 HA 0.09 -0.01 0.33 -0.75 4.34 4.00 1zr6A1 ALA 114 HB3 0.07 0.02 0.07 -0.04 1.41 1.53 1zr6A1 LEU 115 H -0.06 0.56 -0.20 -0.55 8.37 8.13 1zr6A1 LEU 115 HA 0.02 -0.02 0.41 -0.75 4.35 4.00 1zr6A1 LEU 115 HB2 -0.17 0.15 0.15 -0.04 1.64 1.73 1zr6A1 LEU 115 HB3 -0.09 -0.06 -0.02 -0.04 1.64 1.44 1zr6A1 LEU 115 HG 0.01 0.16 -0.01 -0.04 1.64 1.76 1zr6A1 LEU 115 HD13 0.01 -0.04 -0.13 -0.04 0.93 0.73 1zr6A1 LEU 115 HD23 0.15 -0.02 -0.02 -0.04 0.89 0.95 1zr6A1 GLU 116 H -0.26 0.61 -0.10 -0.55 8.60 8.31 1zr6A1 GLU 116 HA -0.15 -0.02 0.42 -0.75 4.29 3.79 1zr6A1 GLU 116 HB2 -0.22 0.12 0.14 -0.04 2.09 2.09 1zr6A1 GLU 116 HB3 -0.11 -0.02 -0.04 -0.04 1.99 1.77 1zr6A1 GLU 116 HG2 -0.98 0.12 0.07 -0.04 2.34 1.51 1zr6A1 GLU 116 HG3 -0.42 -0.04 0.04 -0.04 2.34 1.88 1zr6A1 LEU 117 H -0.07 0.61 -0.20 -0.55 8.37 8.16 1zr6A1 LEU 117 HA -0.06 0.03 0.30 -0.75 4.35 3.87 1zr6A1 LEU 117 HB2 -0.04 0.11 -0.01 -0.04 1.64 1.65 1zr6A1 LEU 117 HB3 -0.13 -0.05 -0.36 -0.04 1.64 1.05 1zr6A1 LEU 117 HG -0.06 0.23 -0.11 -0.04 1.64 1.66 1zr6A1 LEU 117 HD13 -0.14 -0.03 -0.31 -0.04 0.93 0.41 1zr6A1 LEU 117 HD23 -0.05 -0.02 -0.22 -0.04 0.89 0.55 1zr6A1 LEU 118 H -0.01 0.45 -0.25 -0.55 8.37 8.01 1zr6A1 LEU 118 HA -0.02 -0.01 0.49 -0.75 4.35 4.05 1zr6A1 LEU 118 HB2 0.03 0.15 0.21 -0.04 1.64 1.99 1zr6A1 LEU 118 HB3 0.01 -0.09 0.00 -0.04 1.64 1.52 1zr6A1 LEU 118 HG 0.22 0.19 0.04 -0.04 1.64 2.05 1zr6A1 LEU 118 HD13 0.24 -0.05 -0.07 -0.04 0.93 1.01 1zr6A1 LEU 118 HD23 0.16 -0.04 -0.04 -0.04 0.89 0.93 1zr6A1 ASP 119 H -0.05 0.62 -0.02 -0.55 8.40 8.40 1zr6A1 ASP 119 HA -0.05 -0.01 0.42 -0.75 4.63 4.23 1zr6A1 ASP 119 HB2 -0.06 -0.01 0.12 -0.04 2.71 2.72 1zr6A1 ASP 119 HB3 -0.06 0.08 0.13 -0.04 2.70 2.81 1zr6A1 GLN 120 H -0.05 0.50 -0.41 -0.55 8.47 7.97 1zr6A1 GLN 120 HA -0.03 0.12 0.87 -0.75 4.36 4.57 1zr6A1 GLN 120 HB2 -0.03 0.07 0.17 -0.04 2.15 2.32 1zr6A1 GLN 120 HB3 -0.02 -0.05 0.16 -0.04 2.02 2.08 1zr6A1 GLN 120 HG2 -0.01 -0.02 -0.02 -0.04 2.40 2.30 1zr6A1 GLN 120 HG3 -0.03 0.06 -0.00 -0.04 2.39 2.37 1zr6A1 GLN 120 HE21 0.02 0.48 0.08 -0.04 6.97 7.51 1zr6A1 GLN 120 HE22 -0.03 -0.05 0.02 -0.04 7.69 7.59 1zr6A1 GLY 121 H -0.03 0.25 -0.13 -0.55 8.43 7.98 1zr6A1 GLY 121 HA2 -0.03 -0.04 0.27 -0.51 4.01 3.71 1zr6A1 GLY 121 HA3 -0.04 0.16 0.71 -0.51 4.01 4.34 1zr6A1 ASN 122 H -0.05 0.39 -0.07 -0.55 8.53 8.26 1zr6A1 ASN 122 HA -0.05 0.02 0.45 -0.75 4.76 4.42 1zr6A1 ASN 122 HB2 -0.04 -0.05 -0.06 -0.04 2.88 2.70 1zr6A1 ASN 122 HB3 -0.05 0.15 0.06 -0.04 2.79 2.91 1zr6A1 ASN 122 HD21 -0.03 0.05 0.03 -0.04 7.03 7.04 1zr6A1 ASN 122 HD22 -0.04 0.01 0.09 -0.04 7.74 7.76 1zr6A1 ARG 123 H -0.11 0.65 -0.17 -0.55 8.46 8.28 1zr6A1 ARG 123 HA -0.26 0.14 0.83 -0.75 4.34 4.30 1zr6A1 ARG 123 HB2 -0.15 -0.04 -0.12 -0.04 1.90 1.54 1zr6A1 ARG 123 HB3 -0.24 -0.02 -0.03 -0.04 1.80 1.47 1zr6A1 ARG 123 HG2 -0.08 0.05 -0.31 -0.04 1.67 1.29 1zr6A1 ARG 123 HG3 -0.08 -0.05 -0.11 -0.04 1.67 1.39 1zr6A1 ARG 123 HD2 -0.12 0.08 -0.40 -0.04 3.22 2.74 1zr6A1 ARG 123 HD3 -0.06 -0.01 -0.13 -0.04 3.22 2.98 1zr6A1 ALA 124 H -0.73 0.64 0.26 -0.55 8.40 8.02 1zr6A1 ALA 124 HA -0.39 0.09 0.67 -0.75 4.34 3.95 1zr6A1 ALA 124 HB3 -1.50 0.01 -0.18 -0.04 1.41 -0.31 1zr6A1 LEU 125 H -0.25 0.22 0.12 -0.55 8.37 7.91 1zr6A1 LEU 125 HA -0.82 0.21 0.77 -0.75 4.35 3.75 1zr6A1 LEU 125 HB2 -0.31 0.04 -0.20 -0.04 1.64 1.12 1zr6A1 LEU 125 HB3 0.04 -0.07 -0.14 -0.04 1.64 1.42 1zr6A1 LEU 125 HG -0.15 0.08 -0.19 -0.04 1.64 1.34 1zr6A1 LEU 125 HD13 -0.32 0.03 0.08 -0.04 0.93 0.67 1zr6A1 LEU 125 HD23 -0.69 -0.02 -0.15 -0.04 0.89 -0.01 1zr6A1 SER 126 H -0.33 0.26 0.02 -0.55 8.46 7.87 1zr6A1 SER 126 HA 0.12 0.04 0.59 -0.75 4.49 4.49 1zr6A1 SER 126 HB2 0.09 0.03 -0.14 -0.04 3.95 3.90 1zr6A1 SER 126 HB3 0.14 0.08 -0.15 -0.04 3.93 3.95 1zr6A1 HIS 127 H -0.21 0.27 0.05 -0.55 8.41 7.97 1zr6A1 HIS 127 HA 0.20 0.08 0.34 -0.75 4.63 4.49 1zr6A1 HIS 127 HB2 0.07 -0.17 -0.02 -0.04 3.26 3.11 1zr6A1 HIS 127 HB3 0.06 0.12 -0.30 -0.04 3.20 3.04 1zr6A1 HIS 127 HD2 -0.08 -0.06 -0.41 -0.04 6.97 6.39 1zr6A1 HIS 127 HE1 -0.07 -0.01 -0.13 -0.04 7.75 7.50 1zr6A1 GLY 128 H 0.69 0.03 -0.05 -0.55 8.43 8.56 1zr6A1 GLY 128 HA2 0.14 0.19 0.35 -0.51 4.01 4.19 1zr6A1 GLY 128 HA3 0.16 -0.05 0.31 -0.51 4.01 3.93 1zr6A1 THR 129 H 0.06 0.07 0.17 -0.55 8.28 8.04 1zr6A1 THR 129 HA 0.06 0.20 0.62 -0.75 4.39 4.51 1zr6A1 THR 129 HB 0.17 0.28 0.10 -0.04 4.32 4.82 1zr6A1 THR 129 HG23 -0.01 -0.02 0.02 -0.04 1.22 1.17 1zr6A1 CYS 130 H -0.01 -0.06 0.02 -0.55 8.50 7.91 1zr6A1 CYS 130 HA -0.04 0.30 0.50 -0.75 4.58 4.59 1zr6A1 CYS 130 HB2 -0.19 -0.12 0.14 -0.04 2.97 2.76 1zr6A1 CYS 130 HB3 -0.23 -0.01 0.03 -0.04 2.97 2.72 1zr6A1 PRO 131 HA -0.14 -0.05 0.42 -0.51 4.44 4.16 1zr6A1 PRO 131 HB2 -0.09 0.15 0.16 -0.04 2.28 2.45 1zr6A1 PRO 131 HB3 -0.09 0.02 0.17 -0.04 2.02 2.09 1zr6A1 PRO 131 HG2 -0.06 -0.04 0.01 -0.04 2.03 1.90 1zr6A1 PRO 131 HG3 -0.05 0.08 -0.20 -0.04 2.03 1.82 1zr6A1 PRO 131 HD2 -0.05 0.07 0.26 -0.04 3.68 3.92 1zr6A1 PRO 131 HD3 -0.06 0.34 0.26 -0.04 3.65 4.15 1zr6A1 ALA 132 H -0.23 0.09 -0.32 -0.55 8.40 7.39 1zr6A1 ALA 132 HA -0.35 0.16 0.52 -0.75 4.34 3.91 1zr6A1 ALA 132 HB3 -0.50 0.02 0.00 -0.04 1.41 0.89 1zr6A1 VAL 133 H -0.33 0.26 -0.28 -0.55 8.24 7.34 1zr6A1 VAL 133 HA -0.17 -0.05 0.36 -0.75 4.13 3.52 1zr6A1 VAL 133 HB -0.31 0.17 0.05 -0.04 2.12 1.99 1zr6A1 VAL 133 HG13 -0.26 -0.04 -0.24 -0.04 0.97 0.39 1zr6A1 VAL 133 HG23 -0.21 -0.02 0.02 -0.04 0.95 0.70 1zr6A1 GLY 134 H -0.01 -0.10 0.21 -0.55 8.43 7.98 1zr6A1 GLY 134 HA2 -0.03 0.41 0.61 -0.51 4.01 4.49 1zr6A1 GLY 134 HA3 0.03 -0.24 0.37 -0.51 4.01 3.65 1zr6A1 VAL 135 H 0.00 0.91 0.22 -0.55 8.24 8.82 1zr6A1 VAL 135 HA -0.03 0.00 0.28 -0.75 4.13 3.63 1zr6A1 VAL 135 HB 0.08 0.10 -0.06 -0.04 2.12 2.20 1zr6A1 VAL 135 HG13 -0.11 0.00 -0.22 -0.04 0.97 0.59 1zr6A1 VAL 135 HG23 -0.07 0.01 -0.31 -0.04 0.95 0.54 1zr6A1 GLY 136 H 0.13 0.21 -0.26 -0.55 8.43 7.97 1zr6A1 GLY 136 HA2 0.22 0.12 0.29 -0.51 4.01 4.13 1zr6A1 GLY 136 HA3 0.27 0.14 0.29 -0.51 4.01 4.20 1zr6A1 GLY 137 H 0.12 -0.01 -0.07 -0.55 8.43 7.93 1zr6A1 GLY 137 HA2 0.17 0.13 0.35 -0.51 4.01 4.14 1zr6A1 GLY 137 HA3 0.13 -0.09 0.28 -0.51 4.01 3.82 1zr6A1 HIS 138 H 0.15 0.40 -0.35 -0.55 8.41 8.07 1zr6A1 HIS 138 HA 0.01 -0.06 0.28 -0.75 4.63 4.11 1zr6A1 HIS 138 HB2 -0.01 0.15 0.01 -0.04 3.26 3.37 1zr6A1 HIS 138 HB3 -0.02 0.15 0.07 -0.04 3.20 3.35 1zr6A1 HIS 138 HD2 0.02 0.16 -0.05 -0.04 6.97 7.06 1zr6A1 HIS 138 HE1 0.10 0.08 0.07 -0.04 7.75 7.95 1zr6A1 VAL 139 H 0.05 0.70 -0.08 -0.55 8.24 8.35 1zr6A1 VAL 139 HA -0.01 0.11 0.31 -0.75 4.13 3.79 1zr6A1 VAL 139 HB 0.02 -0.01 0.02 -0.04 2.12 2.11 1zr6A1 VAL 139 HG13 -0.44 0.06 -0.05 -0.04 0.97 0.49 1zr6A1 VAL 139 HG23 0.09 -0.01 -0.15 -0.04 0.95 0.84 1zr6A1 LEU 140 H 0.08 0.42 -0.20 -0.55 8.37 8.13 1zr6A1 LEU 140 HA 0.05 0.40 0.54 -0.75 4.35 4.59 1zr6A1 LEU 140 HB2 0.17 -0.05 0.05 -0.04 1.64 1.77 1zr6A1 LEU 140 HB3 0.13 0.08 0.03 -0.04 1.64 1.84 1zr6A1 LEU 140 HG 0.22 0.14 0.09 -0.04 1.64 2.06 1zr6A1 LEU 140 HD13 0.17 -0.04 -0.09 -0.04 0.93 0.93 1zr6A1 LEU 140 HD23 0.13 0.05 0.06 -0.04 0.89 1.10 1zr6A1 GLY 141 H 0.10 0.34 -0.42 -0.55 8.43 7.91 1zr6A1 GLY 141 HA2 0.28 0.21 0.72 -0.51 4.01 4.71 1zr6A1 GLY 141 HA3 0.16 -0.13 0.24 -0.51 4.01 3.78 1zr6A1 GLY 142 H 0.05 0.33 -0.27 -0.55 8.43 7.99 1zr6A1 GLY 142 HA2 -0.01 0.05 0.30 -0.51 4.01 3.84 1zr6A1 GLY 142 HA3 0.17 0.07 0.74 -0.51 4.01 4.48 1zr6A1 GLY 143 H 0.05 0.07 -0.03 -0.55 8.43 7.97 1zr6A1 GLY 143 HA2 -1.26 -0.05 0.33 -0.51 4.01 2.52 1zr6A1 GLY 143 HA3 -0.43 0.14 0.80 -0.51 4.01 4.00 1zr6A1 TYR 144 H 0.10 0.12 0.11 -0.55 8.29 8.07 1zr6A1 TYR 144 HA -0.04 0.25 0.81 -0.75 4.56 4.83 1zr6A1 TYR 144 HB2 -0.20 0.00 -0.09 -0.04 3.06 2.73 1zr6A1 TYR 144 HB3 -0.02 -0.03 0.00 -0.04 2.98 2.88 1zr6A1 TYR 144 HD2 -0.05 -0.03 -0.22 -0.04 7.15 6.81 1zr6A1 TYR 144 HE2 -0.02 0.06 -0.11 -0.04 6.85 6.74 1zr6A1 GLY 145 H -0.79 0.28 0.10 -0.55 8.43 7.48 1zr6A1 GLY 145 HA2 -0.28 0.11 0.40 -0.51 4.01 3.73 1zr6A1 GLY 145 HA3 -0.13 0.21 0.18 -0.51 4.01 3.76 1zr6A1 PHE 146 H -0.17 0.26 0.07 -0.55 8.34 7.94 1zr6A1 PHE 146 HA -0.04 0.12 0.44 -0.75 4.62 4.39 1zr6A1 PHE 146 HB2 -0.15 0.07 0.02 -0.04 3.15 3.05 1zr6A1 PHE 146 HB3 -0.03 -0.02 0.10 -0.04 3.06 3.07 1zr6A1 PHE 146 HD2 -0.37 0.01 -0.03 -0.04 7.28 6.85 1zr6A1 PHE 146 HE2 -0.63 0.10 -0.13 -0.04 7.38 6.68 1zr6A1 PHE 146 HZ -0.24 0.03 -0.14 -0.04 7.32 6.93 1zr6A1 ALA 147 H 0.06 0.04 -0.58 -0.55 8.40 7.38 1zr6A1 ALA 147 HA 0.43 0.24 0.79 -0.75 4.34 5.04 1zr6A1 ALA 147 HB3 0.45 0.02 -0.05 -0.04 1.41 1.78 1zr6A1 THR 148 H -0.14 0.30 -0.17 -0.55 8.28 7.72 1zr6A1 THR 148 HA -0.05 0.49 0.35 -0.75 4.39 4.42 1zr6A1 THR 148 HB -0.60 0.11 0.11 -0.04 4.32 3.90 1zr6A1 THR 148 HG23 -0.11 -0.00 -0.25 -0.04 1.22 0.82 1zr6A1 HIS 149 H 0.07 0.11 -0.13 -0.55 8.41 7.91 1zr6A1 HIS 149 HA -0.06 0.03 0.50 -0.75 4.63 4.34 1zr6A1 HIS 149 HB2 0.06 -0.11 0.22 -0.04 3.26 3.39 1zr6A1 HIS 149 HB3 0.03 0.07 -0.02 -0.04 3.20 3.24 1zr6A1 HIS 149 HD2 0.06 0.21 0.05 -0.04 6.97 7.24 1zr6A1 HIS 149 HE1 -0.11 0.01 -0.59 -0.04 7.75 7.01 1zr6A1 THR 150 H -0.08 -0.07 -0.50 -0.55 8.28 7.08 1zr6A1 THR 150 HA -0.31 0.28 0.72 -0.75 4.39 4.33 1zr6A1 THR 150 HB -0.95 -0.04 0.01 -0.04 4.32 3.29 1zr6A1 THR 150 HG23 -1.28 -0.03 -0.10 -0.04 1.22 -0.23 1zr6A1 HIS 151 H -0.15 0.64 0.08 -0.55 8.41 8.44 1zr6A1 HIS 151 HA -0.03 0.21 0.88 -0.75 4.63 4.94 1zr6A1 HIS 151 HB2 -0.16 0.02 -0.03 -0.04 3.26 3.06 1zr6A1 HIS 151 HB3 0.10 -0.04 0.06 -0.04 3.20 3.29 1zr6A1 HIS 151 HD2 -0.62 -0.07 -0.10 -0.04 6.97 6.13 1zr6A1 HIS 151 HE1 -0.45 -0.02 -0.06 -0.04 7.75 7.18 1zr6A1 GLY 152 H -0.05 0.37 -0.04 -0.55 8.43 8.16 1zr6A1 GLY 152 HA2 -0.07 0.00 0.27 -0.51 4.01 3.71 1zr6A1 GLY 152 HA3 0.01 0.10 0.26 -0.51 4.01 3.87 1zr6A1 LEU 153 H -0.05 0.11 0.11 -0.55 8.37 7.99 1zr6A1 LEU 153 HA -0.03 0.22 0.52 -0.75 4.35 4.30 1zr6A1 LEU 153 HB2 -0.13 -0.02 0.03 -0.04 1.64 1.47 1zr6A1 LEU 153 HB3 -0.12 0.04 -0.07 -0.04 1.64 1.44 1zr6A1 LEU 153 HG -0.27 -0.00 -0.04 -0.04 1.64 1.28 1zr6A1 LEU 153 HD13 -0.98 0.01 -0.05 -0.04 0.93 -0.13 1zr6A1 LEU 153 HD23 -0.15 -0.03 -0.25 -0.04 0.89 0.42 1zr6A1 THR 154 H 0.01 0.33 0.26 -0.55 8.28 8.33 1zr6A1 THR 154 HA 0.21 0.18 0.49 -0.75 4.39 4.52 1zr6A1 THR 154 HB 0.04 0.10 0.20 -0.04 4.32 4.61 1zr6A1 THR 154 HG23 0.06 -0.03 -0.04 -0.04 1.22 1.17 1zr6A1 LEU 155 H 0.04 0.36 -0.03 -0.55 8.37 8.19 1zr6A1 LEU 155 HA 0.13 0.01 0.46 -0.75 4.35 4.20 1zr6A1 LEU 155 HB2 -0.09 -0.01 0.12 -0.04 1.64 1.62 1zr6A1 LEU 155 HB3 -0.01 0.22 0.19 -0.04 1.64 1.99 1zr6A1 LEU 155 HG -0.08 -0.08 0.04 -0.04 1.64 1.48 1zr6A1 LEU 155 HD13 -0.11 0.03 -0.26 -0.04 0.93 0.55 1zr6A1 LEU 155 HD23 -0.02 -0.01 -0.32 -0.04 0.89 0.50 1zr6A1 ASP 156 H 0.11 0.42 -0.58 -0.55 8.40 7.81 1zr6A1 ASP 156 HA -0.09 0.10 0.52 -0.75 4.63 4.40 1zr6A1 ASP 156 HB2 -0.00 0.27 0.07 -0.04 2.71 3.01 1zr6A1 ASP 156 HB3 -0.28 0.02 0.06 -0.04 2.70 2.46 1zr6A1 TRP 157 H 0.40 0.37 -0.31 -0.55 7.97 7.89 1zr6A1 TRP 157 HA 0.13 0.18 0.85 -0.75 4.62 5.03 1zr6A1 TRP 157 HB2 0.27 0.08 0.13 -0.04 3.23 3.67 1zr6A1 TRP 157 HB3 0.25 0.08 0.18 -0.04 3.23 3.70 1zr6A1 TRP 157 HD1 0.09 0.19 -0.05 -0.04 7.22 7.41 1zr6A1 TRP 157 HE1 0.05 0.68 0.04 -0.04 10.20 10.93 1zr6A1 TRP 157 HE3 0.12 -0.06 -0.38 -0.04 7.59 7.23 1zr6A1 TRP 157 HZ2 -0.12 0.01 -0.04 -0.04 7.44 7.24 1zr6A1 TRP 157 HZ3 0.10 0.07 -0.28 -0.04 7.13 6.97 1zr6A1 TRP 157 HH2 -0.01 -0.03 -0.09 -0.04 7.19 7.01 1zr6A1 LEU 158 H 0.20 0.23 -0.18 -0.55 8.37 8.07 1zr6A1 LEU 158 HA -0.22 0.07 0.71 -0.75 4.35 4.16 1zr6A1 LEU 158 HB2 -0.12 -0.04 0.11 -0.04 1.64 1.55 1zr6A1 LEU 158 HB3 -0.09 0.14 0.14 -0.04 1.64 1.79 1zr6A1 LEU 158 HG 0.18 -0.09 -0.09 -0.04 1.64 1.60 1zr6A1 LEU 158 HD13 -0.62 0.05 0.05 -0.04 0.93 0.38 1zr6A1 LEU 158 HD23 -0.09 -0.01 -0.12 -0.04 0.89 0.63 1zr6A1 ILE 159 H 0.05 0.65 0.48 -0.55 8.25 8.88 1zr6A1 ILE 159 HA 0.22 0.22 0.99 -0.75 4.18 4.86 1zr6A1 ILE 159 HB 0.03 -0.09 0.12 -0.04 1.89 1.90 1zr6A1 ILE 159 HG12 0.10 0.09 -0.22 -0.04 1.49 1.42 1zr6A1 ILE 159 HG13 0.05 -0.04 -0.28 -0.04 1.21 0.89 1zr6A1 ILE 159 HG23 0.10 0.05 -0.16 -0.04 0.93 0.87 1zr6A1 ILE 159 HD13 0.08 -0.02 -0.16 -0.04 0.88 0.74 1zr6A1 GLY 160 H 0.10 0.32 0.34 -0.55 8.43 8.64 1zr6A1 GLY 160 HA2 -0.46 0.21 0.54 -0.51 4.01 3.79 1zr6A1 GLY 160 HA3 -0.11 0.01 0.49 -0.51 4.01 3.89 1zr6A1 ALA 161 H -0.42 0.48 0.37 -0.55 8.40 8.29 1zr6A1 ALA 161 HA -0.06 0.13 0.55 -0.75 4.34 4.20 1zr6A1 ALA 161 HB3 -0.09 0.02 -0.02 -0.04 1.41 1.28 1zr6A1 THR 162 H -0.11 0.58 0.34 -0.55 8.28 8.54 1zr6A1 THR 162 HA 0.01 0.25 0.98 -0.75 4.39 4.87 1zr6A1 THR 162 HB -0.02 -0.13 0.21 -0.04 4.32 4.34 1zr6A1 THR 162 HG23 0.01 0.00 -0.10 -0.04 1.22 1.09 1zr6A1 VAL 163 H -0.03 0.79 0.34 -0.55 8.24 8.79 1zr6A1 VAL 163 HA -0.08 0.10 1.17 -0.75 4.13 4.56 1zr6A1 VAL 163 HB -0.05 -0.00 -0.23 -0.04 2.12 1.80 1zr6A1 VAL 163 HG13 -0.12 -0.00 -0.45 -0.04 0.97 0.36 1zr6A1 VAL 163 HG23 -0.02 0.02 -0.32 -0.04 0.95 0.59 1zr6A1 VAL 164 H -0.02 0.67 0.34 -0.55 8.24 8.68 1zr6A1 VAL 164 HA 0.06 0.30 1.05 -0.75 4.13 4.78 1zr6A1 VAL 164 HB 0.02 -0.06 0.12 -0.04 2.12 2.16 1zr6A1 VAL 164 HG13 0.11 0.07 -0.17 -0.04 0.97 0.94 1zr6A1 VAL 164 HG23 0.01 -0.03 -0.09 -0.04 0.95 0.79 1zr6A1 LEU 165 H 0.12 0.66 0.21 -0.55 8.37 8.81 1zr6A1 LEU 165 HA 0.31 0.21 0.76 -0.75 4.35 4.87 1zr6A1 LEU 165 HB2 0.11 -0.16 0.07 -0.04 1.64 1.63 1zr6A1 LEU 165 HB3 0.16 0.13 0.21 -0.04 1.64 2.09 1zr6A1 LEU 165 HG 0.12 -0.01 -0.16 -0.04 1.64 1.54 1zr6A1 LEU 165 HD13 0.21 0.01 -0.05 -0.04 0.93 1.07 1zr6A1 LEU 165 HD23 0.14 0.02 -0.16 -0.04 0.89 0.86 1zr6A1 ALA 166 H 0.03 0.38 0.22 -0.55 8.40 8.48 1zr6A1 ALA 166 HA -0.69 0.11 0.36 -0.75 4.34 3.37 1zr6A1 ALA 166 HB3 -0.46 0.04 0.16 -0.04 1.41 1.11 1zr6A1 ASP 167 H 0.00 0.01 -0.39 -0.55 8.40 7.47 1zr6A1 ASP 167 HA -0.04 0.27 0.81 -0.75 4.63 4.91 1zr6A1 ASP 167 HB2 -0.01 0.05 0.15 -0.04 2.71 2.85 1zr6A1 ASP 167 HB3 -0.03 0.04 0.02 -0.04 2.70 2.69 1zr6A1 ALA 168 H 0.05 0.48 -0.32 -0.55 8.40 8.06 1zr6A1 ALA 168 HA 0.09 0.06 0.29 -0.75 4.34 4.02 1zr6A1 ALA 168 HB3 0.03 0.07 0.02 -0.04 1.41 1.49 1zr6A1 SER 169 H 0.05 -0.09 -0.38 -0.55 8.46 7.50 1zr6A1 SER 169 HA 0.04 0.15 0.54 -0.75 4.49 4.46 1zr6A1 SER 169 HB2 0.04 0.04 0.05 -0.04 3.95 4.04 1zr6A1 SER 169 HB3 0.04 0.08 0.00 -0.04 3.93 4.01 1zr6A1 ILE 170 H 0.04 0.22 0.19 -0.55 8.25 8.14 1zr6A1 ILE 170 HA 0.04 0.29 1.10 -0.75 4.18 4.86 1zr6A1 ILE 170 HB 0.03 -0.03 0.13 -0.04 1.89 1.98 1zr6A1 ILE 170 HG12 0.03 0.02 -0.13 -0.04 1.49 1.36 1zr6A1 ILE 170 HG13 0.03 0.06 -0.28 -0.04 1.21 0.98 1zr6A1 ILE 170 HG23 0.02 -0.01 -0.13 -0.04 0.93 0.77 1zr6A1 ILE 170 HD13 0.02 -0.02 -0.08 -0.04 0.88 0.75 1zr6A1 VAL 171 H 0.03 0.66 0.32 -0.55 8.24 8.71 1zr6A1 VAL 171 HA 0.05 0.20 0.98 -0.75 4.13 4.61 1zr6A1 VAL 171 HB 0.06 0.05 0.07 -0.04 2.12 2.26 1zr6A1 VAL 171 HG13 0.08 -0.01 -0.28 -0.04 0.97 0.72 1zr6A1 VAL 171 HG23 0.04 -0.00 -0.23 -0.04 0.95 0.71 1zr6A1 HIS 172 H 0.10 0.18 0.20 -0.55 8.41 8.34 1zr6A1 HIS 172 HA -0.03 0.27 1.12 -0.75 4.63 5.23 1zr6A1 HIS 172 HB2 -0.02 -0.04 0.04 -0.04 3.26 3.20 1zr6A1 HIS 172 HB3 -0.03 -0.03 0.09 -0.04 3.20 3.19 1zr6A1 HIS 172 HD2 -0.04 -0.07 -0.12 -0.04 6.97 6.70 1zr6A1 HIS 172 HE1 -0.11 -0.01 -0.08 -0.04 7.75 7.50 1zr6A1 VAL 173 H -0.69 0.60 0.39 -0.55 8.24 7.99 1zr6A1 VAL 173 HA -0.18 0.34 0.95 -0.75 4.13 4.49 1zr6A1 VAL 173 HB 0.03 0.03 -0.02 -0.04 2.12 2.13 1zr6A1 VAL 173 HG13 -0.08 -0.02 -0.31 -0.04 0.97 0.52 1zr6A1 VAL 173 HG23 -0.01 0.01 -0.14 -0.04 0.95 0.77 1zr6A1 SER 174 H -0.30 0.72 0.27 -0.55 8.46 8.60 1zr6A1 SER 174 HA -1.85 0.19 0.36 -0.75 4.49 2.43 1zr6A1 SER 174 HB2 -0.37 0.19 0.29 -0.04 3.95 4.01 1zr6A1 SER 174 HB3 -0.28 0.12 -0.06 -0.04 3.93 3.66 1zr6A1 GLU 175 H -0.40 0.31 0.15 -0.55 8.60 8.12 1zr6A1 GLU 175 HA 0.12 0.13 0.46 -0.75 4.29 4.25 1zr6A1 GLU 175 HB2 -0.02 -0.00 0.13 -0.04 2.09 2.16 1zr6A1 GLU 175 HB3 0.05 0.02 0.09 -0.04 1.99 2.10 1zr6A1 GLU 175 HG2 0.28 0.05 0.05 -0.04 2.34 2.67 1zr6A1 GLU 175 HG3 0.34 0.02 0.05 -0.04 2.34 2.70 1zr6A1 THR 176 H -0.12 -0.00 -0.39 -0.55 8.28 7.22 1zr6A1 THR 176 HA -0.01 0.28 0.96 -0.75 4.39 4.85 1zr6A1 THR 176 HB -0.02 0.01 0.11 -0.04 4.32 4.39 1zr6A1 THR 176 HG23 -0.02 0.01 -0.12 -0.04 1.22 1.05 1zr6A1 GLU 177 H -0.08 0.25 -0.28 -0.55 8.60 7.94 1zr6A1 GLU 177 HA 0.01 0.15 0.83 -0.75 4.29 4.53 1zr6A1 GLU 177 HB2 0.03 0.04 -0.21 -0.04 2.09 1.90 1zr6A1 GLU 177 HB3 0.00 -0.07 -0.07 -0.04 1.99 1.81 1zr6A1 GLU 177 HG2 0.04 0.16 -0.14 -0.04 2.34 2.35 1zr6A1 GLU 177 HG3 0.04 -0.01 0.04 -0.04 2.34 2.37 1zr6A1 ASN 178 H 0.04 0.20 0.12 -0.55 8.53 8.34 1zr6A1 ASN 178 HA 0.12 0.04 0.36 -0.75 4.76 4.52 1zr6A1 ASN 178 HB2 -0.01 0.24 0.08 -0.04 2.88 3.15 1zr6A1 ASN 178 HB3 0.02 -0.08 0.21 -0.04 2.79 2.90 1zr6A1 ASN 178 HD21 0.07 -0.05 0.01 -0.04 7.03 7.03 1zr6A1 ASN 178 HD22 0.03 0.50 0.01 -0.04 7.74 8.23 1zr6A1 ALA 179 H 0.04 0.11 -0.27 -0.55 8.40 7.73 1zr6A1 ALA 179 HA 0.13 0.29 0.28 -0.75 4.34 4.28 1zr6A1 ALA 179 HB3 0.05 0.04 -0.07 -0.04 1.41 1.39 1zr6A1 ASP 180 H 0.09 0.04 -0.29 -0.55 8.40 7.69 1zr6A1 ASP 180 HA 0.03 0.17 0.45 -0.75 4.63 4.52 1zr6A1 ASP 180 HB2 0.09 0.06 -0.02 -0.04 2.71 2.80 1zr6A1 ASP 180 HB3 0.00 0.04 0.04 -0.04 2.70 2.74 1zr6A1 LEU 181 H 0.01 0.13 -0.18 -0.55 8.37 7.79 1zr6A1 LEU 181 HA -0.20 0.08 0.36 -0.75 4.35 3.84 1zr6A1 LEU 181 HB2 -1.32 -0.02 0.03 -0.04 1.64 0.30 1zr6A1 LEU 181 HB3 -0.30 0.14 0.08 -0.04 1.64 1.52 1zr6A1 LEU 181 HG -0.19 -0.02 -0.31 -0.04 1.64 1.07 1zr6A1 LEU 181 HD13 -0.24 -0.00 -0.12 -0.04 0.93 0.52 1zr6A1 LEU 181 HD23 -0.45 -0.00 -0.15 -0.04 0.89 0.25 1zr6A1 PHE 182 H 0.14 0.46 -0.19 -0.55 8.34 8.20 1zr6A1 PHE 182 HA -0.08 -0.02 0.24 -0.75 4.62 4.00 1zr6A1 PHE 182 HB2 -0.06 -0.02 -0.04 -0.04 3.15 3.00 1zr6A1 PHE 182 HB3 0.01 0.16 -0.08 -0.04 3.06 3.11 1zr6A1 PHE 182 HD2 -0.04 0.01 -0.31 -0.04 7.28 6.90 1zr6A1 PHE 182 HE2 -0.05 0.02 -0.21 -0.04 7.38 7.10 1zr6A1 PHE 182 HZ -0.05 0.06 -0.68 -0.04 7.32 6.61 1zr6A1 TRP 183 H 0.26 0.46 -0.34 -0.55 7.97 7.81 1zr6A1 TRP 183 HA -0.19 0.07 0.40 -0.75 4.62 4.15 1zr6A1 TRP 183 HB2 -0.03 0.07 0.10 -0.04 3.23 3.34 1zr6A1 TRP 183 HB3 -0.08 0.11 0.12 -0.04 3.23 3.34 1zr6A1 TRP 183 HD1 -0.03 0.14 -0.15 -0.04 7.22 7.14 1zr6A1 TRP 183 HE1 -0.02 0.36 -0.50 -0.04 10.20 9.99 1zr6A1 TRP 183 HE3 -0.15 0.03 -0.24 -0.04 7.59 7.19 1zr6A1 TRP 183 HZ2 -0.02 0.11 -0.09 -0.04 7.44 7.40 1zr6A1 TRP 183 HZ3 -0.09 -0.07 -0.18 -0.04 7.13 6.76 1zr6A1 TRP 183 HH2 -0.03 -0.03 0.01 -0.04 7.19 7.10 1zr6A1 ALA 184 H 0.06 0.43 -0.21 -0.55 8.40 8.13 1zr6A1 ALA 184 HA -0.46 0.04 0.32 -0.75 4.34 3.49 1zr6A1 ALA 184 HB3 -0.82 0.01 0.02 -0.04 1.41 0.58 1zr6A1 LEU 185 H -0.27 0.55 -0.27 -0.55 8.37 7.83 1zr6A1 LEU 185 HA -0.19 0.02 0.40 -0.75 4.35 3.83 1zr6A1 LEU 185 HB2 -0.18 0.15 0.00 -0.04 1.64 1.57 1zr6A1 LEU 185 HB3 -0.03 -0.10 -0.05 -0.04 1.64 1.43 1zr6A1 LEU 185 HG -0.14 0.18 -0.09 -0.04 1.64 1.55 1zr6A1 LEU 185 HD13 -0.01 -0.04 -0.24 -0.04 0.93 0.60 1zr6A1 LEU 185 HD23 0.02 -0.03 -0.13 -0.04 0.89 0.71 1zr6A1 ARG 186 H -0.38 0.38 -0.52 -0.55 8.46 7.38 1zr6A1 ARG 186 HA -0.18 0.12 0.68 -0.75 4.34 4.20 1zr6A1 ARG 186 HB2 -0.43 0.08 0.29 -0.04 1.90 1.80 1zr6A1 ARG 186 HB3 -0.27 -0.07 0.19 -0.04 1.80 1.61 1zr6A1 ARG 186 HG2 -0.35 -0.06 0.02 -0.04 1.67 1.24 1zr6A1 ARG 186 HG3 -0.75 0.07 -0.03 -0.04 1.67 0.92 1zr6A1 ARG 186 HD2 -0.28 0.08 0.07 -0.04 3.22 3.05 1zr6A1 ARG 186 HD3 -0.70 -0.00 -0.03 -0.04 3.22 2.45 1zr6A1 GLY 187 H -0.07 0.49 -0.05 -0.55 8.43 8.26 1zr6A1 GLY 187 HA2 0.17 -0.08 0.10 -0.51 4.01 3.69 1zr6A1 GLY 187 HA3 0.02 0.04 0.73 -0.51 4.01 4.28 1zr6A1 GLY 188 H -0.25 0.46 -0.09 -0.55 8.43 8.01 1zr6A1 GLY 188 HA2 -0.52 0.01 0.37 -0.51 4.01 3.37 1zr6A1 GLY 188 HA3 -0.48 0.08 0.33 -0.51 4.01 3.44 1zr6A1 GLY 189 H 0.11 0.52 -0.36 -0.55 8.43 8.16 1zr6A1 GLY 189 HA2 0.20 -0.10 0.02 -0.51 4.01 3.62 1zr6A1 GLY 189 HA3 -0.16 0.02 0.44 -0.51 4.01 3.81 1zr6A1 GLY 190 H -0.16 0.04 0.11 -0.55 8.43 7.87 1zr6A1 GLY 190 HA2 0.11 0.09 0.60 -0.51 4.01 4.30 1zr6A1 GLY 190 HA3 0.10 -0.02 0.32 -0.51 4.01 3.90 1zr6A1 GLY 191 H 0.04 0.09 0.14 -0.55 8.43 8.16 1zr6A1 GLY 191 HA2 0.11 0.18 0.19 -0.51 4.01 3.98 1zr6A1 GLY 191 HA3 -0.11 0.15 0.39 -0.51 4.01 3.93 1zr6A1 PHE 192 H 0.21 0.10 -0.17 -0.55 8.34 7.92 1zr6A1 PHE 192 HA 0.08 0.19 0.66 -0.75 4.62 4.80 1zr6A1 PHE 192 HB2 -0.03 0.00 -0.07 -0.04 3.15 3.01 1zr6A1 PHE 192 HB3 -0.03 -0.05 -0.14 -0.04 3.06 2.80 1zr6A1 PHE 192 HD2 -0.06 0.01 -0.29 -0.04 7.28 6.90 1zr6A1 PHE 192 HE2 -0.24 0.14 -0.10 -0.04 7.38 7.14 1zr6A1 PHE 192 HZ -0.28 -0.04 -0.07 -0.04 7.32 6.89 1zr6A1 ALA 193 H 0.12 0.22 0.09 -0.55 8.40 8.29 1zr6A1 ALA 193 HA 0.27 0.14 0.39 -0.75 4.34 4.38 1zr6A1 ALA 193 HB3 0.06 0.03 -0.22 -0.04 1.41 1.25 1zr6A1 ILE 194 H -0.13 0.70 0.24 -0.55 8.25 8.50 1zr6A1 ILE 194 HA -0.20 0.12 0.92 -0.75 4.18 4.28 1zr6A1 ILE 194 HB -0.19 -0.01 0.13 -0.04 1.89 1.78 1zr6A1 ILE 194 HG12 -0.54 -0.01 -0.11 -0.04 1.49 0.80 1zr6A1 ILE 194 HG13 -1.33 0.02 -0.22 -0.04 1.21 -0.36 1zr6A1 ILE 194 HG23 -0.11 -0.01 -0.15 -0.04 0.93 0.63 1zr6A1 ILE 194 HD13 -0.28 0.03 -0.16 -0.04 0.88 0.42 1zr6A1 VAL 195 H -0.10 0.19 0.06 -0.55 8.24 7.85 1zr6A1 VAL 195 HA -0.21 0.10 0.72 -0.75 4.13 3.99 1zr6A1 VAL 195 HB -0.39 -0.02 0.07 -0.04 2.12 1.74 1zr6A1 VAL 195 HG13 -1.41 -0.01 -0.31 -0.04 0.97 -0.79 1zr6A1 VAL 195 HG23 -0.13 0.03 -0.14 -0.04 0.95 0.67 1zr6A1 SER 196 H -0.15 0.58 0.46 -0.55 8.46 8.81 1zr6A1 SER 196 HA -0.06 0.09 0.63 -0.75 4.49 4.39 1zr6A1 SER 196 HB2 -0.05 0.01 0.05 -0.04 3.95 3.93 1zr6A1 SER 196 HB3 -0.06 0.10 0.12 -0.04 3.93 4.05 1zr6A1 GLU 197 H -0.19 0.40 0.26 -0.55 8.60 8.52 1zr6A1 GLU 197 HA -0.01 0.20 0.77 -0.75 4.29 4.50 1zr6A1 GLU 197 HB2 -0.00 -0.01 -0.23 -0.04 2.09 1.80 1zr6A1 GLU 197 HB3 -0.01 -0.09 0.03 -0.04 1.99 1.87 1zr6A1 GLU 197 HG2 0.07 0.17 -0.29 -0.04 2.34 2.25 1zr6A1 GLU 197 HG3 0.07 -0.00 -0.22 -0.04 2.34 2.15 1zr6A1 PHE 198 H 0.23 0.84 0.27 -0.55 8.34 9.12 1zr6A1 PHE 198 HA -0.04 0.17 0.98 -0.75 4.62 4.97 1zr6A1 PHE 198 HB2 0.24 0.04 0.06 -0.04 3.15 3.46 1zr6A1 PHE 198 HB3 -0.33 0.06 -0.03 -0.04 3.06 2.71 1zr6A1 PHE 198 HD2 0.02 0.12 -0.15 -0.04 7.28 7.23 1zr6A1 PHE 198 HE2 0.05 0.01 -0.11 -0.04 7.38 7.29 1zr6A1 PHE 198 HZ 0.06 -0.01 -0.02 -0.04 7.32 7.31 1zr6A1 GLU 199 H -0.00 0.72 0.32 -0.55 8.60 9.09 1zr6A1 GLU 199 HA 0.13 0.25 0.93 -0.75 4.29 4.85 1zr6A1 GLU 199 HB2 0.04 -0.09 0.05 -0.04 2.09 2.05 1zr6A1 GLU 199 HB3 0.08 0.04 -0.11 -0.04 1.99 1.96 1zr6A1 GLU 199 HG2 0.09 0.04 -0.20 -0.04 2.34 2.22 1zr6A1 GLU 199 HG3 0.08 -0.08 -0.53 -0.04 2.34 1.77 1zr6A1 PHE 200 H 0.29 0.78 0.30 -0.55 8.34 9.15 1zr6A1 PHE 200 HA 0.19 0.19 1.19 -0.75 4.62 5.44 1zr6A1 PHE 200 HB2 0.10 -0.06 0.04 -0.04 3.15 3.19 1zr6A1 PHE 200 HB3 0.15 0.32 -0.03 -0.04 3.06 3.46 1zr6A1 PHE 200 HD2 0.19 0.06 -0.30 -0.04 7.28 7.19 1zr6A1 PHE 200 HE2 -0.01 0.06 -0.14 -0.04 7.38 7.25 1zr6A1 PHE 200 HZ -0.29 -0.05 -0.13 -0.04 7.32 6.81 1zr6A1 ASN 201 H 0.44 0.74 0.38 -0.55 8.53 9.54 1zr6A1 ASN 201 HA 0.23 0.04 0.66 -0.75 4.76 4.93 1zr6A1 ASN 201 HB2 0.36 0.12 0.20 -0.04 2.88 3.51 1zr6A1 ASN 201 HB3 0.50 0.05 0.06 -0.04 2.79 3.36 1zr6A1 ASN 201 HD21 0.06 -0.06 -0.00 -0.04 7.03 6.99 1zr6A1 ASN 201 HD22 0.04 0.06 0.01 -0.04 7.74 7.80 1zr6A1 THR 202 H 0.20 0.28 0.27 -0.55 8.28 8.48 1zr6A1 THR 202 HA -0.29 0.16 0.88 -0.75 4.39 4.38 1zr6A1 THR 202 HB -0.38 0.04 0.13 -0.04 4.32 4.07 1zr6A1 THR 202 HG23 -0.06 -0.03 -0.31 -0.04 1.22 0.78 1zr6A1 PHE 203 H -1.09 0.50 0.27 -0.55 8.34 7.47 1zr6A1 PHE 203 HA -0.11 0.18 0.91 -0.75 4.62 4.84 1zr6A1 PHE 203 HB2 -0.30 0.00 0.06 -0.04 3.15 2.87 1zr6A1 PHE 203 HB3 -0.32 0.04 -0.04 -0.04 3.06 2.70 1zr6A1 PHE 203 HD2 -1.54 0.15 -0.23 -0.04 7.28 5.61 1zr6A1 PHE 203 HE2 -1.08 -0.07 -0.24 -0.04 7.38 5.95 1zr6A1 PHE 203 HZ -0.43 -0.01 -0.43 -0.04 7.32 6.41 1zr6A1 GLU 204 H 0.02 0.10 0.11 -0.55 8.60 8.29 1zr6A1 GLU 204 HA -0.16 0.18 0.59 -0.75 4.29 4.15 1zr6A1 GLU 204 HB2 -0.03 -0.01 0.11 -0.04 2.09 2.12 1zr6A1 GLU 204 HB3 -0.01 -0.09 0.08 -0.04 1.99 1.93 1zr6A1 GLU 204 HG2 -0.05 0.19 -0.21 -0.04 2.34 2.23 1zr6A1 GLU 204 HG3 -0.06 0.15 0.11 -0.04 2.34 2.50 1zr6A1 ALA 205 H -0.24 0.65 0.22 -0.55 8.40 8.48 1zr6A1 ALA 205 HA -0.71 -0.00 0.25 -0.75 4.34 3.13 1zr6A1 ALA 205 HB3 -0.16 -0.02 -0.09 -0.04 1.41 1.10 1zr6A1 PRO 206 HA 0.04 0.04 0.42 -0.51 4.44 4.43 1zr6A1 PRO 206 HB2 0.11 0.05 -0.06 -0.04 2.28 2.35 1zr6A1 PRO 206 HB3 0.24 0.08 0.09 -0.04 2.02 2.40 1zr6A1 PRO 206 HG2 0.26 -0.12 -0.08 -0.04 2.03 2.06 1zr6A1 PRO 206 HG3 0.18 0.04 -0.03 -0.04 2.03 2.18 1zr6A1 PRO 206 HD2 -0.83 -0.02 0.13 -0.04 3.68 2.92 1zr6A1 PRO 206 HD3 -0.24 0.23 0.11 -0.04 3.65 3.71 1zr6A1 GLU 207 H 0.04 0.13 0.17 -0.55 8.60 8.39 1zr6A1 GLU 207 HA 0.03 0.10 0.46 -0.75 4.29 4.12 1zr6A1 GLU 207 HB2 0.02 -0.02 0.08 -0.04 2.09 2.13 1zr6A1 GLU 207 HB3 0.02 0.05 0.13 -0.04 1.99 2.15 1zr6A1 GLU 207 HG2 0.03 -0.02 0.11 -0.04 2.34 2.43 1zr6A1 GLU 207 HG3 0.03 0.01 -0.13 -0.04 2.34 2.21 1zr6A1 ILE 208 H 0.05 0.13 -0.15 -0.55 8.25 7.73 1zr6A1 ILE 208 HA 0.04 0.32 0.87 -0.75 4.18 4.65 1zr6A1 ILE 208 HB 0.03 0.03 -0.21 -0.04 1.89 1.70 1zr6A1 ILE 208 HG12 0.04 0.12 -0.29 -0.04 1.49 1.32 1zr6A1 ILE 208 HG13 0.03 0.09 0.10 -0.04 1.21 1.39 1zr6A1 ILE 208 HG23 0.03 -0.03 -0.15 -0.04 0.93 0.74 1zr6A1 ILE 208 HD13 0.04 -0.06 -0.09 -0.04 0.88 0.73 1zr6A1 ILE 209 H 0.02 0.70 0.29 -0.55 8.25 8.71 1zr6A1 ILE 209 HA -0.10 0.25 0.96 -0.75 4.18 4.54 1zr6A1 ILE 209 HB -0.02 -0.05 -0.20 -0.04 1.89 1.58 1zr6A1 ILE 209 HG12 0.06 -0.05 -0.59 -0.04 1.49 0.87 1zr6A1 ILE 209 HG13 0.20 -0.04 -0.27 -0.04 1.21 1.06 1zr6A1 ILE 209 HG23 -0.16 -0.02 -0.28 -0.04 0.93 0.43 1zr6A1 ILE 209 HD13 -0.65 0.03 -0.05 -0.04 0.88 0.17 1zr6A1 THR 210 H 0.08 0.71 0.37 -0.55 8.28 8.89 1zr6A1 THR 210 HA 0.04 0.28 1.15 -0.75 4.39 5.10 1zr6A1 THR 210 HB 0.29 -0.00 0.05 -0.04 4.32 4.62 1zr6A1 THR 210 HG23 0.08 -0.02 -0.28 -0.04 1.22 0.96 1zr6A1 THR 211 H -0.02 0.50 0.31 -0.55 8.28 8.52 1zr6A1 THR 211 HA -0.02 0.25 0.95 -0.75 4.39 4.81 1zr6A1 THR 211 HB -0.19 0.06 0.08 -0.04 4.32 4.22 1zr6A1 THR 211 HG23 -0.16 0.00 -0.07 -0.04 1.22 0.94 1zr6A1 TYR 212 H -0.31 0.54 0.37 -0.55 8.29 8.34 1zr6A1 TYR 212 HA -0.07 0.16 0.52 -0.75 4.56 4.42 1zr6A1 TYR 212 HB2 -0.06 0.05 0.13 -0.04 3.06 3.14 1zr6A1 TYR 212 HB3 -0.04 -0.03 -0.33 -0.04 2.98 2.54 1zr6A1 TYR 212 HD2 0.01 0.02 -0.36 -0.04 7.15 6.78 1zr6A1 TYR 212 HE2 0.14 0.05 -0.32 -0.04 6.85 6.68 1zr6A1 GLN 213 H 0.09 0.53 0.37 -0.55 8.47 8.91 1zr6A1 GLN 213 HA -0.08 0.35 0.89 -0.75 4.36 4.76 1zr6A1 GLN 213 HB2 -0.10 0.05 -0.08 -0.04 2.15 1.98 1zr6A1 GLN 213 HB3 -0.08 -0.12 -0.04 -0.04 2.02 1.74 1zr6A1 GLN 213 HG2 -0.10 -0.04 -0.25 -0.04 2.40 1.97 1zr6A1 GLN 213 HG3 -0.06 0.11 0.04 -0.04 2.39 2.44 1zr6A1 GLN 213 HE21 -0.05 -0.01 -0.06 -0.04 6.97 6.81 1zr6A1 GLN 213 HE22 -0.04 0.01 -0.06 -0.04 7.69 7.56 1zr6A1 VAL 214 H -0.04 0.81 0.40 -0.55 8.24 8.86 1zr6A1 VAL 214 HA -0.29 0.17 1.08 -0.75 4.13 4.33 1zr6A1 VAL 214 HB -0.83 -0.09 0.16 -0.04 2.12 1.32 1zr6A1 VAL 214 HG13 -1.32 0.01 -0.25 -0.04 0.97 -0.63 1zr6A1 VAL 214 HG23 -0.28 -0.01 -0.18 -0.04 0.95 0.45 1zr6A1 THR 215 H -0.31 0.64 0.34 -0.55 8.28 8.41 1zr6A1 THR 215 HA -0.27 0.12 1.07 -0.75 4.39 4.56 1zr6A1 THR 215 HB -0.18 -0.01 0.15 -0.04 4.32 4.24 1zr6A1 THR 215 HG23 -0.15 0.02 -0.08 -0.04 1.22 0.97 1zr6A1 THR 216 H -0.42 0.38 0.37 -0.55 8.28 8.06 1zr6A1 THR 216 HA -0.56 0.21 1.08 -0.75 4.39 4.36 1zr6A1 THR 216 HB -2.25 0.06 0.09 -0.04 4.32 2.17 1zr6A1 THR 216 HG23 -1.34 -0.00 -0.05 -0.04 1.22 -0.22 1zr6A1 THR 217 H -0.26 0.73 0.15 -0.55 8.28 8.35 1zr6A1 THR 217 HA 0.01 0.13 0.73 -0.75 4.39 4.50 1zr6A1 THR 217 HB 0.04 0.01 0.17 -0.04 4.32 4.49 1zr6A1 THR 217 HG23 0.07 -0.02 0.02 -0.04 1.22 1.25 1zr6A1 TRP 218 H 0.21 0.19 -0.07 -0.55 7.97 7.75 1zr6A1 TRP 218 HA 0.11 0.16 1.02 -0.75 4.62 5.15 1zr6A1 TRP 218 HB2 -0.12 -0.01 0.00 -0.04 3.23 3.06 1zr6A1 TRP 218 HB3 0.15 -0.04 -0.20 -0.04 3.23 3.09 1zr6A1 TRP 218 HD1 0.03 0.09 -0.24 -0.04 7.22 7.06 1zr6A1 TRP 218 HE1 0.02 0.52 -0.12 -0.04 10.20 10.57 1zr6A1 TRP 218 HE3 -0.36 -0.07 -0.06 -0.04 7.59 7.06 1zr6A1 TRP 218 HZ2 0.27 0.04 -0.11 -0.04 7.44 7.60 1zr6A1 TRP 218 HZ3 -0.01 -0.05 -0.08 -0.04 7.13 6.94 1zr6A1 TRP 218 HH2 0.34 -0.03 -0.09 -0.04 7.19 7.38 1zr6A1 ASN 219 H 0.29 0.08 0.14 -0.55 8.53 8.49 1zr6A1 ASN 219 HA 0.40 0.25 0.60 -0.75 4.76 5.24 1zr6A1 ASN 219 HB2 0.07 -0.08 0.21 -0.04 2.88 3.04 1zr6A1 ASN 219 HB3 0.15 0.13 0.10 -0.04 2.79 3.13 1zr6A1 ASN 219 HD21 0.04 0.04 0.04 -0.04 7.03 7.10 1zr6A1 ASN 219 HD22 0.07 0.09 0.05 -0.04 7.74 7.92 1zr6A1 ARG 220 H -0.30 0.19 0.14 -0.55 8.46 7.95 1zr6A1 ARG 220 HA -0.79 0.16 0.35 -0.75 4.34 3.31 1zr6A1 ARG 220 HB2 -1.08 0.09 0.14 -0.04 1.90 1.00 1zr6A1 ARG 220 HB3 -0.33 -0.08 0.15 -0.04 1.80 1.50 1zr6A1 ARG 220 HG2 -0.22 -0.03 -0.22 -0.04 1.67 1.16 1zr6A1 ARG 220 HG3 -0.53 0.06 -0.07 -0.04 1.67 1.09 1zr6A1 ARG 220 HD2 -0.15 -0.03 -0.03 -0.04 3.22 2.97 1zr6A1 ARG 220 HD3 -0.12 0.03 -0.04 -0.04 3.22 3.05 1zr6A1 LYS 221 H -0.09 0.12 -0.03 -0.55 8.42 7.86 1zr6A1 LYS 221 HA -0.04 0.09 0.42 -0.75 4.32 4.03 1zr6A1 LYS 221 HB2 -0.04 0.03 0.10 -0.04 1.87 1.92 1zr6A1 LYS 221 HB3 -0.03 -0.02 0.06 -0.04 1.79 1.76 1zr6A1 LYS 221 HG2 -0.05 0.03 -0.19 -0.04 1.46 1.21 1zr6A1 LYS 221 HG3 -0.03 0.01 0.04 -0.04 1.46 1.43 1zr6A1 LYS 221 HD2 -0.02 0.00 0.01 -0.04 1.69 1.64 1zr6A1 LYS 221 HD3 -0.02 0.01 -0.02 -0.04 1.68 1.60 1zr6A1 LYS 221 HE2 -0.03 0.02 -0.04 -0.04 2.99 2.91 1zr6A1 LYS 221 HE3 -0.02 -0.00 -0.01 -0.04 2.99 2.92 1zr6A1 GLN 222 H 0.00 0.02 -0.36 -0.55 8.47 7.59 1zr6A1 GLN 222 HA -0.27 0.11 0.46 -0.75 4.36 3.90 1zr6A1 GLN 222 HB2 0.06 -0.09 0.10 -0.04 2.15 2.18 1zr6A1 GLN 222 HB3 -0.57 0.18 0.06 -0.04 2.02 1.65 1zr6A1 GLN 222 HG2 -0.10 0.11 0.03 -0.04 2.40 2.39 1zr6A1 GLN 222 HG3 -0.01 -0.16 0.03 -0.04 2.39 2.20 1zr6A1 GLN 222 HE21 0.09 0.03 0.07 -0.04 6.97 7.13 1zr6A1 GLN 222 HE22 0.02 0.03 0.04 -0.04 7.69 7.74 1zr6A1 HIS 223 H 0.24 0.45 -0.31 -0.55 8.41 8.24 1zr6A1 HIS 223 HA 0.28 0.05 0.37 -0.75 4.63 4.58 1zr6A1 HIS 223 HB2 0.21 0.19 0.18 -0.04 3.26 3.81 1zr6A1 HIS 223 HB3 0.30 -0.05 -0.07 -0.04 3.20 3.33 1zr6A1 HIS 223 HD2 0.50 -0.04 -0.06 -0.04 6.97 7.33 1zr6A1 HIS 223 HE1 0.42 0.12 -0.08 -0.04 7.75 8.17 1zr6A1 VAL 224 H 0.09 0.40 -0.15 -0.55 8.24 8.02 1zr6A1 VAL 224 HA 0.09 0.02 0.32 -0.75 4.13 3.80 1zr6A1 VAL 224 HB 0.01 0.12 0.14 -0.04 2.12 2.35 1zr6A1 VAL 224 HG13 0.05 -0.02 -0.13 -0.04 0.97 0.83 1zr6A1 VAL 224 HG23 0.09 0.05 -0.01 -0.04 0.95 1.04 1zr6A1 ALA 225 H -0.12 0.51 -0.07 -0.55 8.40 8.16 1zr6A1 ALA 225 HA -0.07 -0.02 0.42 -0.75 4.34 3.92 1zr6A1 ALA 225 HB3 -0.15 0.02 0.07 -0.04 1.41 1.31 1zr6A1 GLY 226 H -0.53 0.56 -0.25 -0.55 8.43 7.67 1zr6A1 GLY 226 HA2 -0.33 0.10 0.53 -0.51 4.01 3.80 1zr6A1 GLY 226 HA3 -1.16 0.11 0.35 -0.51 4.01 2.80 1zr6A1 LEU 227 H -0.15 0.67 -0.08 -0.55 8.37 8.26 1zr6A1 LEU 227 HA -0.21 -0.00 0.41 -0.75 4.35 3.79 1zr6A1 LEU 227 HB2 -0.03 0.09 0.11 -0.04 1.64 1.77 1zr6A1 LEU 227 HB3 -0.24 -0.08 -0.03 -0.04 1.64 1.25 1zr6A1 LEU 227 HG -0.03 0.14 0.05 -0.04 1.64 1.76 1zr6A1 LEU 227 HD13 0.08 -0.03 -0.11 -0.04 0.93 0.83 1zr6A1 LEU 227 HD23 -1.13 -0.02 -0.05 -0.04 0.89 -0.35 1zr6A1 LYS 228 H -0.02 0.54 -0.22 -0.55 8.42 8.17 1zr6A1 LYS 228 HA 0.12 -0.01 0.42 -0.75 4.32 4.09 1zr6A1 LYS 228 HB2 0.01 0.16 0.16 -0.04 1.87 2.17 1zr6A1 LYS 228 HB3 0.06 -0.05 0.01 -0.04 1.79 1.76 1zr6A1 LYS 228 HG2 0.09 -0.07 -0.00 -0.04 1.46 1.44 1zr6A1 LYS 228 HG3 0.06 0.10 0.04 -0.04 1.46 1.63 1zr6A1 LYS 228 HD2 0.05 -0.10 -0.04 -0.04 1.69 1.56 1zr6A1 LYS 228 HD3 0.02 0.04 -0.11 -0.04 1.68 1.58 1zr6A1 LYS 228 HE2 0.03 -0.02 -0.02 -0.04 2.99 2.94 1zr6A1 LYS 228 HE3 0.04 0.06 -0.01 -0.04 2.99 3.03 1zr6A1 ALA 229 H -0.00 0.54 -0.20 -0.55 8.40 8.19 1zr6A1 ALA 229 HA 0.09 -0.01 0.40 -0.75 4.34 4.06 1zr6A1 ALA 229 HB3 0.02 0.05 -0.01 -0.04 1.41 1.43 1zr6A1 LEU 230 H 0.04 0.65 -0.09 -0.55 8.37 8.42 1zr6A1 LEU 230 HA 0.20 -0.01 0.39 -0.75 4.35 4.17 1zr6A1 LEU 230 HB2 -0.03 0.10 0.11 -0.04 1.64 1.77 1zr6A1 LEU 230 HB3 0.29 -0.06 -0.05 -0.04 1.64 1.78 1zr6A1 LEU 230 HG -0.18 0.11 0.01 -0.04 1.64 1.54 1zr6A1 LEU 230 HD13 -0.41 -0.02 -0.14 -0.04 0.93 0.32 1zr6A1 LEU 230 HD23 -1.05 -0.03 -0.07 -0.04 0.89 -0.30 1zr6A1 GLN 231 H 0.22 0.50 -0.39 -0.55 8.47 8.25 1zr6A1 GLN 231 HA 0.59 0.02 0.43 -0.75 4.36 4.65 1zr6A1 GLN 231 HB2 0.53 0.05 0.10 -0.04 2.15 2.78 1zr6A1 GLN 231 HB3 0.28 0.16 0.17 -0.04 2.02 2.59 1zr6A1 GLN 231 HG2 0.23 0.00 -0.20 -0.04 2.40 2.39 1zr6A1 GLN 231 HG3 0.49 -0.05 0.03 -0.04 2.39 2.82 1zr6A1 GLN 231 HE21 0.26 0.41 0.11 -0.04 6.97 7.71 1zr6A1 GLN 231 HE22 0.22 0.02 0.02 -0.04 7.69 7.90 1zr6A1 ASP 232 H 0.20 0.52 -0.06 -0.55 8.40 8.51 1zr6A1 ASP 232 HA 0.10 0.01 0.44 -0.75 4.63 4.43 1zr6A1 ASP 232 HB2 0.16 0.13 0.15 -0.04 2.71 3.11 1zr6A1 ASP 232 HB3 0.12 -0.04 0.02 -0.04 2.70 2.75 1zr6A1 TRP 233 H 0.37 0.55 -0.21 -0.55 7.97 8.14 1zr6A1 TRP 233 HA 0.06 -0.01 0.40 -0.75 4.62 4.31 1zr6A1 TRP 233 HB2 0.07 0.04 0.07 -0.04 3.23 3.37 1zr6A1 TRP 233 HB3 0.10 0.12 0.13 -0.04 3.23 3.55 1zr6A1 TRP 233 HD1 0.05 0.01 -0.04 -0.04 7.22 7.20 1zr6A1 TRP 233 HE1 0.03 0.05 -0.10 -0.04 10.20 10.13 1zr6A1 TRP 233 HE3 0.22 0.14 -0.05 -0.04 7.59 7.86 1zr6A1 TRP 233 HZ2 -0.03 0.00 -0.13 -0.04 7.44 7.25 1zr6A1 TRP 233 HZ3 -0.34 -0.01 -0.11 -0.04 7.13 6.63 1zr6A1 TRP 233 HH2 -0.12 0.00 -0.16 -0.04 7.19 6.88 1zr6A1 ALA 234 H 0.38 0.65 -0.14 -0.55 8.40 8.75 1zr6A1 ALA 234 HA -0.21 -0.00 0.40 -0.75 4.34 3.78 1zr6A1 ALA 234 HB3 0.05 0.02 0.09 -0.04 1.41 1.53 1zr6A1 GLN 235 H -0.04 0.47 -0.22 -0.55 8.47 8.13 1zr6A1 GLN 235 HA -0.15 -0.03 0.61 -0.75 4.36 4.04 1zr6A1 GLN 235 HB2 -0.14 -0.04 0.11 -0.04 2.15 2.05 1zr6A1 GLN 235 HB3 -0.03 0.10 0.17 -0.04 2.02 2.21 1zr6A1 GLN 235 HG2 -0.05 -0.04 0.01 -0.04 2.40 2.29 1zr6A1 GLN 235 HG3 -0.05 0.04 -0.17 -0.04 2.39 2.16 1zr6A1 GLN 235 HE21 -0.08 0.02 0.02 -0.04 6.97 6.90 1zr6A1 GLN 235 HE22 -0.06 0.03 0.03 -0.04 7.69 7.65 1zr6A1 ASN 236 H -0.05 0.48 -0.00 -0.55 8.53 8.42 1zr6A1 ASN 236 HA -0.06 0.21 1.11 -0.75 4.76 5.27 1zr6A1 ASN 236 HB2 0.02 0.03 0.03 -0.04 2.88 2.92 1zr6A1 ASN 236 HB3 -0.00 -0.04 0.10 -0.04 2.79 2.81 1zr6A1 ASN 236 HD21 -0.01 -0.04 -0.06 -0.04 7.03 6.88 1zr6A1 ASN 236 HD22 -0.02 0.04 -0.02 -0.04 7.74 7.70 1zr6A1 THR 237 H -0.24 0.53 0.12 -0.55 8.28 8.13 1zr6A1 THR 237 HA -0.09 0.22 1.10 -0.75 4.39 4.86 1zr6A1 THR 237 HB -0.20 -0.02 0.09 -0.04 4.32 4.14 1zr6A1 THR 237 HG23 0.13 -0.02 -0.10 -0.04 1.22 1.19 1zr6A1 MET 238 H -1.02 0.55 0.14 -0.55 8.47 7.59 1zr6A1 MET 238 HA -0.97 -0.04 0.30 -0.75 4.52 3.06 1zr6A1 MET 238 HB2 -1.81 -0.10 -0.02 -0.04 2.15 0.17 1zr6A1 MET 238 HB3 -0.51 0.11 0.11 -0.04 2.03 1.69 1zr6A1 MET 238 HG2 -0.58 0.23 -0.28 -0.04 2.63 1.96 1zr6A1 MET 238 HG3 -0.74 -0.11 -0.10 -0.04 2.56 1.57 1zr6A1 MET 238 HE3 -0.33 0.01 -0.17 -0.04 2.10 1.56 1zr6A1 PRO 239 HA 0.00 0.09 0.49 -0.51 4.44 4.51 1zr6A1 PRO 239 HB2 0.17 -0.11 -0.06 -0.04 2.28 2.24 1zr6A1 PRO 239 HB3 0.10 -0.01 0.09 -0.04 2.02 2.15 1zr6A1 PRO 239 HG2 0.16 -0.04 0.01 -0.04 2.03 2.12 1zr6A1 PRO 239 HG3 0.07 0.13 0.06 -0.04 2.03 2.25 1zr6A1 PRO 239 HD2 0.04 0.03 0.10 -0.04 3.68 3.81 1zr6A1 PRO 239 HD3 -0.05 0.09 0.09 -0.04 3.65 3.74 1zr6A1 ARG 240 H 0.02 0.08 0.19 -0.55 8.46 8.19 1zr6A1 ARG 240 HA 0.07 0.45 0.48 -0.75 4.34 4.58 1zr6A1 ARG 240 HB2 -0.07 0.07 0.21 -0.04 1.90 2.07 1zr6A1 ARG 240 HB3 -0.05 -0.17 0.20 -0.04 1.80 1.73 1zr6A1 ARG 240 HG2 -0.14 -0.06 0.05 -0.04 1.67 1.47 1zr6A1 ARG 240 HG3 -0.20 -0.09 -0.19 -0.04 1.67 1.15 1zr6A1 ARG 240 HD2 -0.23 0.06 0.20 -0.04 3.22 3.20 1zr6A1 ARG 240 HD3 -0.18 0.24 0.36 -0.04 3.22 3.60 1zr6A1 GLU 241 H 0.01 0.02 -0.15 -0.55 8.60 7.93 1zr6A1 GLU 241 HA -0.16 0.14 0.44 -0.75 4.29 3.95 1zr6A1 GLU 241 HB2 -0.14 -0.05 0.23 -0.04 2.09 2.08 1zr6A1 GLU 241 HB3 -0.14 0.02 0.11 -0.04 1.99 1.95 1zr6A1 GLU 241 HG2 0.03 0.04 -0.31 -0.04 2.34 2.06 1zr6A1 GLU 241 HG3 -0.62 0.02 -0.12 -0.04 2.34 1.57 1zr6A1 LEU 242 H 0.13 0.57 -0.69 -0.55 8.37 7.84 1zr6A1 LEU 242 HA 0.39 0.18 1.12 -0.75 4.35 5.29 1zr6A1 LEU 242 HB2 0.44 -0.13 -0.12 -0.04 1.64 1.78 1zr6A1 LEU 242 HB3 0.09 0.15 -0.02 -0.04 1.64 1.82 1zr6A1 LEU 242 HG 0.20 0.07 -0.36 -0.04 1.64 1.51 1zr6A1 LEU 242 HD13 0.23 0.01 -0.05 -0.04 0.93 1.07 1zr6A1 LEU 242 HD23 0.28 -0.03 -0.14 -0.04 0.89 0.96 1zr6A1 SER 243 H 0.31 0.58 0.37 -0.55 8.46 9.18 1zr6A1 SER 243 HA 0.06 0.25 0.93 -0.75 4.49 4.98 1zr6A1 SER 243 HB2 0.26 -0.07 0.15 -0.04 3.95 4.25 1zr6A1 SER 243 HB3 0.27 0.03 0.01 -0.04 3.93 4.20 1zr6A1 MET 244 H 0.19 0.30 0.25 -0.55 8.47 8.66 1zr6A1 MET 244 HA 0.19 0.26 0.70 -0.75 4.52 4.92 1zr6A1 MET 244 HB2 0.08 0.08 -0.26 -0.04 2.15 2.01 1zr6A1 MET 244 HB3 -0.65 0.00 -0.04 -0.04 2.03 1.30 1zr6A1 MET 244 HG2 -0.43 0.01 -0.18 -0.04 2.63 1.98 1zr6A1 MET 244 HG3 0.10 -0.05 0.04 -0.04 2.56 2.61 1zr6A1 MET 244 HE3 0.08 -0.00 -0.14 -0.04 2.10 2.00 1zr6A1 ARG 245 H 0.17 0.57 0.44 -0.55 8.46 9.10 1zr6A1 ARG 245 HA 0.45 0.28 0.80 -0.75 4.34 5.12 1zr6A1 ARG 245 HB2 0.24 -0.03 -0.08 -0.04 1.90 1.98 1zr6A1 ARG 245 HB3 0.23 -0.04 -0.15 -0.04 1.80 1.80 1zr6A1 ARG 245 HG2 0.35 0.06 -0.04 -0.04 1.67 2.00 1zr6A1 ARG 245 HG3 0.20 0.01 -0.39 -0.04 1.67 1.46 1zr6A1 ARG 245 HD2 0.10 -0.02 -0.14 -0.04 3.22 3.12 1zr6A1 ARG 245 HD3 -0.13 -0.05 -0.14 -0.04 3.22 2.86 1zr6A1 LEU 246 H 0.34 0.53 0.34 -0.55 8.37 9.04 1zr6A1 LEU 246 HA 0.19 0.33 1.13 -0.75 4.35 5.24 1zr6A1 LEU 246 HB2 0.21 -0.10 0.15 -0.04 1.64 1.86 1zr6A1 LEU 246 HB3 0.11 0.04 -0.03 -0.04 1.64 1.72 1zr6A1 LEU 246 HG 0.21 0.08 0.01 -0.04 1.64 1.89 1zr6A1 LEU 246 HD13 -0.61 -0.00 -0.07 -0.04 0.93 0.21 1zr6A1 LEU 246 HD23 -0.23 0.00 -0.19 -0.04 0.89 0.43 1zr6A1 GLU 247 H 0.15 0.80 0.39 -0.55 8.60 9.39 1zr6A1 GLU 247 HA 0.15 0.15 0.89 -0.75 4.29 4.73 1zr6A1 GLU 247 HB2 0.04 -0.03 0.22 -0.04 2.09 2.28 1zr6A1 GLU 247 HB3 -0.01 0.00 0.02 -0.04 1.99 1.96 1zr6A1 GLU 247 HG2 0.08 -0.03 -0.15 -0.04 2.34 2.19 1zr6A1 GLU 247 HG3 0.05 0.02 -0.05 -0.04 2.34 2.32 1zr6A1 ILE 248 H 0.26 0.76 0.44 -0.55 8.25 9.16 1zr6A1 ILE 248 HA 0.19 0.29 1.15 -0.75 4.18 5.06 1zr6A1 ILE 248 HB 0.46 -0.06 0.12 -0.04 1.89 2.37 1zr6A1 ILE 248 HG12 0.33 0.03 -0.10 -0.04 1.49 1.72 1zr6A1 ILE 248 HG13 0.32 -0.07 -0.54 -0.04 1.21 0.87 1zr6A1 ILE 248 HG23 0.55 0.02 -0.05 -0.04 0.93 1.41 1zr6A1 ILE 248 HD13 0.61 -0.01 -0.11 -0.04 0.88 1.33 1zr6A1 ASN 249 H 0.05 0.63 0.37 -0.55 8.53 9.03 1zr6A1 ASN 249 HA -1.20 0.16 0.67 -0.75 4.76 3.63 1zr6A1 ASN 249 HB2 -0.56 -0.04 0.32 -0.04 2.88 2.56 1zr6A1 ASN 249 HB3 -0.23 0.09 0.09 -0.04 2.79 2.69 1zr6A1 ASN 249 HD21 -0.07 0.01 -0.11 -0.04 7.03 6.82 1zr6A1 ASN 249 HD22 -0.09 0.04 -0.13 -0.04 7.74 7.51 1zr6A1 ALA 250 H -0.81 0.18 0.22 -0.55 8.40 7.44 1zr6A1 ALA 250 HA 0.29 0.15 0.41 -0.75 4.34 4.43 1zr6A1 ALA 250 HB3 0.10 0.02 0.15 -0.04 1.41 1.64 1zr6A1 ASN 251 H -0.10 -0.03 -0.22 -0.55 8.53 7.64 1zr6A1 ASN 251 HA -0.03 0.31 1.05 -0.75 4.76 5.34 1zr6A1 ASN 251 HB2 -0.03 -0.04 0.03 -0.04 2.88 2.79 1zr6A1 ASN 251 HB3 -0.01 0.01 0.18 -0.04 2.79 2.93 1zr6A1 ASN 251 HD21 0.00 -0.00 -0.04 -0.04 7.03 6.95 1zr6A1 ASN 251 HD22 -0.00 0.00 0.03 -0.04 7.74 7.73 1zr6A1 ALA 252 H 0.01 0.27 -0.04 -0.55 8.40 8.09 1zr6A1 ALA 252 HA 0.03 0.20 0.67 -0.75 4.34 4.49 1zr6A1 ALA 252 HB3 -0.03 0.00 -0.08 -0.04 1.41 1.26 1zr6A1 LEU 253 H -0.05 0.29 0.12 -0.55 8.37 8.19 1zr6A1 LEU 253 HA 0.12 0.26 0.76 -0.75 4.35 4.74 1zr6A1 LEU 253 HB2 0.21 0.07 -0.07 -0.04 1.64 1.80 1zr6A1 LEU 253 HB3 -0.17 -0.05 0.13 -0.04 1.64 1.50 1zr6A1 LEU 253 HG 0.16 0.02 -0.04 -0.04 1.64 1.74 1zr6A1 LEU 253 HD13 0.22 -0.00 -0.05 -0.04 0.93 1.06 1zr6A1 LEU 253 HD23 -0.02 -0.00 -0.30 -0.04 0.89 0.52 1zr6A1 ASN 254 H 0.07 0.63 0.36 -0.55 8.53 9.04 1zr6A1 ASN 254 HA -0.11 0.26 1.28 -0.75 4.76 5.44 1zr6A1 ASN 254 HB2 0.00 -0.07 0.13 -0.04 2.88 2.90 1zr6A1 ASN 254 HB3 -0.06 0.09 0.11 -0.04 2.79 2.88 1zr6A1 ASN 254 HD21 -0.06 0.00 -0.05 -0.04 7.03 6.88 1zr6A1 ASN 254 HD22 -0.04 -0.00 -0.03 -0.04 7.74 7.63 1zr6A1 TRP 255 H -0.00 0.53 0.44 -0.55 7.97 8.38 1zr6A1 TRP 255 HA -0.01 0.22 0.93 -0.75 4.62 5.01 1zr6A1 TRP 255 HB2 0.05 -0.11 0.05 -0.04 3.23 3.18 1zr6A1 TRP 255 HB3 0.01 0.04 0.06 -0.04 3.23 3.30 1zr6A1 TRP 255 HD1 -0.18 -0.11 -0.33 -0.04 7.22 6.55 1zr6A1 TRP 255 HE1 -0.50 0.04 -0.13 -0.04 10.20 9.58 1zr6A1 TRP 255 HE3 -0.14 -0.02 -0.11 -0.04 7.59 7.28 1zr6A1 TRP 255 HZ2 0.30 0.08 -0.10 -0.04 7.44 7.68 1zr6A1 TRP 255 HZ3 -0.35 -0.00 -0.16 -0.04 7.13 6.58 1zr6A1 TRP 255 HH2 -0.10 0.08 -0.33 -0.04 7.19 6.81 1zr6A1 GLU 256 H 0.14 0.52 0.45 -0.55 8.60 9.17 1zr6A1 GLU 256 HA -0.45 0.19 0.69 -0.75 4.29 3.97 1zr6A1 GLU 256 HB2 -0.14 0.05 0.19 -0.04 2.09 2.14 1zr6A1 GLU 256 HB3 -0.04 0.02 -0.05 -0.04 1.99 1.87 1zr6A1 GLU 256 HG2 0.12 0.05 -0.07 -0.04 2.34 2.40 1zr6A1 GLU 256 HG3 0.19 -0.06 -0.13 -0.04 2.34 2.30 1zr6A1 GLY 257 H -0.94 0.47 0.35 -0.55 8.43 7.77 1zr6A1 GLY 257 HA2 -0.68 -0.04 0.30 -0.51 4.01 3.08 1zr6A1 GLY 257 HA3 -0.08 0.33 0.48 -0.51 4.01 4.23 1zr6A1 ASN 258 H 0.12 0.19 0.25 -0.55 8.53 8.55 1zr6A1 ASN 258 HA 0.05 0.24 1.04 -0.75 4.76 5.34 1zr6A1 ASN 258 HB2 0.12 0.11 0.06 -0.04 2.88 3.14 1zr6A1 ASN 258 HB3 -0.10 0.00 -0.08 -0.04 2.79 2.57 1zr6A1 ASN 258 HD21 -0.03 0.01 -0.14 -0.04 7.03 6.83 1zr6A1 ASN 258 HD22 -0.01 0.04 -0.16 -0.04 7.74 7.56 1zr6A1 PHE 259 H 0.18 0.38 0.26 -0.55 8.34 8.62 1zr6A1 PHE 259 HA 0.21 0.36 1.02 -0.75 4.62 5.46 1zr6A1 PHE 259 HB2 0.12 0.02 -0.11 -0.04 3.15 3.13 1zr6A1 PHE 259 HB3 0.08 -0.06 0.12 -0.04 3.06 3.16 1zr6A1 PHE 259 HD2 0.08 0.03 -0.29 -0.04 7.28 7.06 1zr6A1 PHE 259 HE2 0.06 -0.07 -0.19 -0.04 7.38 7.14 1zr6A1 PHE 259 HZ 0.05 -0.00 -0.19 -0.04 7.32 7.14 1zr6A1 PHE 260 H 0.15 0.77 0.23 -0.55 8.34 8.94 1zr6A1 PHE 260 HA -0.06 0.11 0.75 -0.75 4.62 4.67 1zr6A1 PHE 260 HB2 -0.21 0.01 0.29 -0.04 3.15 3.20 1zr6A1 PHE 260 HB3 -0.11 -0.01 0.21 -0.04 3.06 3.10 1zr6A1 PHE 260 HD2 0.02 0.12 0.01 -0.04 7.28 7.39 1zr6A1 PHE 260 HE2 0.14 0.07 -0.05 -0.04 7.38 7.50 1zr6A1 PHE 260 HZ 0.42 -0.07 -0.08 -0.04 7.32 7.56 1zr6A1 GLY 261 H -0.13 0.57 0.05 -0.55 8.43 8.38 1zr6A1 GLY 261 HA2 -0.06 0.05 0.32 -0.51 4.01 3.82 1zr6A1 GLY 261 HA3 -0.32 0.04 0.30 -0.51 4.01 3.51 1zr6A1 ASN 262 H 0.21 0.12 0.10 -0.55 8.53 8.40 1zr6A1 ASN 262 HA 0.12 0.24 0.71 -0.75 4.76 5.08 1zr6A1 ASN 262 HB2 0.07 -0.06 0.13 -0.04 2.88 2.98 1zr6A1 ASN 262 HB3 0.08 0.12 0.05 -0.04 2.79 2.99 1zr6A1 ASN 262 HD21 0.08 0.06 0.02 -0.04 7.03 7.15 1zr6A1 ASN 262 HD22 0.07 0.08 0.03 -0.04 7.74 7.88 1zr6A1 ALA 263 H 0.07 0.19 0.13 -0.55 8.40 8.24 1zr6A1 ALA 263 HA 0.02 0.13 0.34 -0.75 4.34 4.08 1zr6A1 ALA 263 HB3 0.01 0.03 0.03 -0.04 1.41 1.44 1zr6A1 LYS 264 H 0.03 0.10 -0.09 -0.55 8.42 7.90 1zr6A1 LYS 264 HA -0.02 0.11 0.40 -0.75 4.32 4.06 1zr6A1 LYS 264 HB2 0.02 -0.04 0.05 -0.04 1.87 1.86 1zr6A1 LYS 264 HB3 0.01 0.08 -0.01 -0.04 1.79 1.83 1zr6A1 LYS 264 HG2 -0.00 0.05 0.02 -0.04 1.46 1.49 1zr6A1 LYS 264 HG3 0.01 -0.07 0.05 -0.04 1.46 1.40 1zr6A1 LYS 264 HD2 0.01 -0.00 0.01 -0.04 1.69 1.67 1zr6A1 LYS 264 HD3 0.01 0.04 -0.00 -0.04 1.68 1.68 1zr6A1 LYS 264 HE2 -0.00 0.02 0.00 -0.04 2.99 2.97 1zr6A1 LYS 264 HE3 0.00 -0.02 0.01 -0.04 2.99 2.94 1zr6A1 ASP 265 H 0.06 0.05 -0.32 -0.55 8.40 7.65 1zr6A1 ASP 265 HA 0.01 0.11 0.41 -0.75 4.63 4.41 1zr6A1 ASP 265 HB2 0.30 0.04 0.04 -0.04 2.71 3.05 1zr6A1 ASP 265 HB3 0.20 0.07 -0.05 -0.04 2.70 2.88 1zr6A1 LEU 266 H -0.17 0.36 -0.22 -0.55 8.37 7.79 1zr6A1 LEU 266 HA -0.93 0.07 0.34 -0.75 4.35 3.07 1zr6A1 LEU 266 HB2 -0.76 0.03 -0.05 -0.04 1.64 0.82 1zr6A1 LEU 266 HB3 -0.24 0.04 0.08 -0.04 1.64 1.49 1zr6A1 LEU 266 HG -0.37 -0.04 -0.34 -0.04 1.64 0.84 1zr6A1 LEU 266 HD13 -0.67 -0.01 -0.07 -0.04 0.93 0.14 1zr6A1 LEU 266 HD23 -0.10 0.00 -0.20 -0.04 0.89 0.55 1zr6A1 LYS 267 H -0.14 0.59 -0.13 -0.55 8.42 8.18 1zr6A1 LYS 267 HA -0.15 -0.01 0.38 -0.75 4.32 3.79 1zr6A1 LYS 267 HB2 -0.08 -0.04 0.04 -0.04 1.87 1.76 1zr6A1 LYS 267 HB3 -0.09 0.01 0.09 -0.04 1.79 1.76 1zr6A1 LYS 267 HG2 -0.06 0.14 0.22 -0.04 1.46 1.71 1zr6A1 LYS 267 HG3 -0.06 0.03 -0.08 -0.04 1.46 1.31 1zr6A1 LYS 267 HD2 -0.04 -0.01 -0.03 -0.04 1.69 1.56 1zr6A1 LYS 267 HD3 -0.04 -0.04 -0.03 -0.04 1.68 1.52 1zr6A1 LYS 267 HE2 -0.02 -0.02 -0.00 -0.04 2.99 2.91 1zr6A1 LYS 267 HE3 -0.02 -0.19 0.09 -0.04 2.99 2.83 1zr6A1 LYS 268 H -0.09 0.34 -0.41 -0.55 8.42 7.71 1zr6A1 LYS 268 HA -0.04 0.02 0.44 -0.75 4.32 3.99 1zr6A1 LYS 268 HB2 -0.02 0.15 0.08 -0.04 1.87 2.04 1zr6A1 LYS 268 HB3 -0.01 -0.03 0.07 -0.04 1.79 1.78 1zr6A1 LYS 268 HG2 -0.02 -0.06 0.01 -0.04 1.46 1.35 1zr6A1 LYS 268 HG3 -0.03 0.35 0.12 -0.04 1.46 1.87 1zr6A1 LYS 268 HD2 0.00 -0.01 0.00 -0.04 1.69 1.64 1zr6A1 LYS 268 HD3 0.00 -0.05 -0.03 -0.04 1.68 1.56 1zr6A1 LYS 268 HE2 0.01 -0.07 -0.08 -0.04 2.99 2.81 1zr6A1 LYS 268 HE3 0.02 0.06 0.01 -0.04 2.99 3.03 1zr6A1 ILE 269 H -0.13 0.32 -0.41 -0.55 8.25 7.48 1zr6A1 ILE 269 HA 0.05 0.10 0.62 -0.75 4.18 4.20 1zr6A1 ILE 269 HB -0.18 0.11 0.14 -0.04 1.89 1.92 1zr6A1 ILE 269 HG12 0.07 -0.00 -0.03 -0.04 1.49 1.49 1zr6A1 ILE 269 HG13 -0.05 0.11 -0.02 -0.04 1.21 1.21 1zr6A1 ILE 269 HG23 0.24 -0.01 -0.15 -0.04 0.93 0.96 1zr6A1 ILE 269 HD13 -0.03 -0.03 -0.09 -0.04 0.88 0.69 1zr6A1 LEU 270 H -0.16 0.49 0.03 -0.55 8.37 8.19 1zr6A1 LEU 270 HA -0.14 0.04 0.37 -0.75 4.35 3.87 1zr6A1 LEU 270 HB2 -0.18 0.03 0.07 -0.04 1.64 1.52 1zr6A1 LEU 270 HB3 -0.17 -0.06 -0.08 -0.04 1.64 1.29 1zr6A1 LEU 270 HG -0.35 0.15 -0.06 -0.04 1.64 1.34 1zr6A1 LEU 270 HD13 -0.43 -0.02 -0.14 -0.04 0.93 0.30 1zr6A1 LEU 270 HD23 -0.28 -0.00 -0.14 -0.04 0.89 0.43 1zr6A1 GLN 271 H -0.08 0.58 -0.13 -0.55 8.47 8.29 1zr6A1 GLN 271 HA -0.07 -0.03 0.33 -0.75 4.36 3.83 1zr6A1 GLN 271 HB2 -0.04 0.12 0.08 -0.04 2.15 2.27 1zr6A1 GLN 271 HB3 -0.04 -0.06 -0.03 -0.04 2.02 1.85 1zr6A1 GLN 271 HG2 -0.07 -0.10 0.03 -0.04 2.40 2.22 1zr6A1 GLN 271 HG3 -0.07 0.35 0.14 -0.04 2.39 2.76 1zr6A1 GLN 271 HE21 -0.03 -0.02 -0.03 -0.04 6.97 6.85 1zr6A1 GLN 271 HE22 -0.05 -0.03 -0.01 -0.04 7.69 7.56 1zr6A1 PRO 272 HA -0.00 0.02 0.43 -0.51 4.44 4.38 1zr6A1 PRO 272 HB2 0.03 0.07 0.05 -0.04 2.28 2.39 1zr6A1 PRO 272 HB3 0.04 -0.01 0.05 -0.04 2.02 2.06 1zr6A1 PRO 272 HG2 0.03 0.14 0.11 -0.04 2.03 2.28 1zr6A1 PRO 272 HG3 0.01 -0.05 0.05 -0.04 2.03 2.00 1zr6A1 PRO 272 HD2 -0.02 0.27 -0.49 -0.04 3.68 3.40 1zr6A1 PRO 272 HD3 -0.02 0.06 -0.04 -0.04 3.65 3.60 1zr6A1 ILE 273 H -0.13 0.40 -0.19 -0.55 8.25 7.78 1zr6A1 ILE 273 HA -0.14 0.02 0.40 -0.75 4.18 3.71 1zr6A1 ILE 273 HB -1.09 0.02 0.03 -0.04 1.89 0.81 1zr6A1 ILE 273 HG12 -1.51 0.00 -0.09 -0.04 1.49 -0.14 1zr6A1 ILE 273 HG13 -0.34 -0.00 -0.23 -0.04 1.21 0.59 1zr6A1 ILE 273 HG23 -0.47 0.05 -0.01 -0.04 0.93 0.45 1zr6A1 ILE 273 HD13 -0.19 -0.03 -0.12 -0.04 0.88 0.50 1zr6A1 MET 274 H -0.02 0.65 -0.23 -0.55 8.47 8.32 1zr6A1 MET 274 HA 0.26 0.03 0.36 -0.75 4.52 4.41 1zr6A1 MET 274 HB2 -0.07 0.13 0.09 -0.04 2.15 2.26 1zr6A1 MET 274 HB3 -0.11 -0.07 -0.09 -0.04 2.03 1.71 1zr6A1 MET 274 HG2 -0.65 -0.06 -0.11 -0.04 2.63 1.76 1zr6A1 MET 274 HG3 -0.12 0.17 -0.04 -0.04 2.56 2.52 1zr6A1 MET 274 HE3 -0.31 -0.03 -0.29 -0.04 2.10 1.43 1zr6A1 LYS 275 H 0.01 0.50 -0.25 -0.55 8.42 8.13 1zr6A1 LYS 275 HA 0.03 -0.04 0.45 -0.75 4.32 4.00 1zr6A1 LYS 275 HB2 0.01 0.18 0.20 -0.04 1.87 2.21 1zr6A1 LYS 275 HB3 0.01 -0.06 0.01 -0.04 1.79 1.72 1zr6A1 LYS 275 HG2 -0.00 -0.08 0.01 -0.04 1.46 1.35 1zr6A1 LYS 275 HG3 -0.01 0.27 0.08 -0.04 1.46 1.76 1zr6A1 LYS 275 HD2 0.00 0.00 -0.05 -0.04 1.69 1.60 1zr6A1 LYS 275 HD3 0.00 -0.04 -0.02 -0.04 1.68 1.59 1zr6A1 LYS 275 HE2 -0.02 -0.00 -0.08 -0.04 2.99 2.84 1zr6A1 LYS 275 HE3 -0.01 -0.02 -0.05 -0.04 2.99 2.87 1zr6A1 LYS 276 H 0.03 0.61 0.02 -0.55 8.42 8.53 1zr6A1 LYS 276 HA 0.03 0.01 0.40 -0.75 4.32 4.01 1zr6A1 LYS 276 HB2 0.01 0.04 0.11 -0.04 1.87 1.99 1zr6A1 LYS 276 HB3 0.04 -0.04 0.01 -0.04 1.79 1.76 1zr6A1 LYS 276 HG2 0.04 -0.05 0.02 -0.04 1.46 1.44 1zr6A1 LYS 276 HG3 0.03 0.16 0.04 -0.04 1.46 1.66 1zr6A1 LYS 276 HD2 0.07 -0.02 -0.11 -0.04 1.69 1.59 1zr6A1 LYS 276 HD3 0.08 -0.02 -0.03 -0.04 1.68 1.67 1zr6A1 LYS 276 HE2 0.10 -0.00 -0.06 -0.04 2.99 2.99 1zr6A1 LYS 276 HE3 0.06 -0.02 -0.03 -0.04 2.99 2.96 1zr6A1 ALA 277 H 0.12 0.50 -0.43 -0.55 8.40 8.04 1zr6A1 ALA 277 HA 0.02 0.03 0.48 -0.75 4.34 4.12 1zr6A1 ALA 277 HB3 0.40 -0.01 0.08 -0.04 1.41 1.84 1zr6A1 GLY 278 H 0.05 0.40 -0.68 -0.55 8.43 7.65 1zr6A1 GLY 278 HA2 -0.00 -0.02 0.23 -0.51 4.01 3.70 1zr6A1 GLY 278 HA3 -0.09 0.06 0.63 -0.51 4.01 4.10 1zr6A1 GLY 279 H 0.12 0.39 0.07 -0.55 8.43 8.46 1zr6A1 GLY 279 HA2 0.08 0.03 0.23 -0.51 4.01 3.84 1zr6A1 GLY 279 HA3 0.07 -0.07 0.38 -0.51 4.01 3.89 1zr6A1 LYS 280 H 0.08 0.06 0.20 -0.55 8.42 8.21 1zr6A1 LYS 280 HA 0.09 -0.03 0.37 -0.75 4.32 4.00 1zr6A1 LYS 280 HB2 0.53 0.22 -0.15 -0.04 1.87 2.42 1zr6A1 LYS 280 HB3 0.34 0.08 0.25 -0.04 1.79 2.42 1zr6A1 LYS 280 HG2 0.12 0.08 0.02 -0.04 1.46 1.64 1zr6A1 LYS 280 HG3 0.16 -0.07 0.05 -0.04 1.46 1.56 1zr6A1 LYS 280 HD2 0.12 0.05 0.12 -0.04 1.69 1.94 1zr6A1 LYS 280 HD3 0.08 -0.04 0.12 -0.04 1.68 1.79 1zr6A1 LYS 280 HE2 0.08 -0.05 0.06 -0.04 2.99 3.04 1zr6A1 LYS 280 HE3 0.06 -0.03 0.05 -0.04 2.99 3.03 1zr6A1 SER 281 H -0.02 0.17 -0.10 -0.55 8.46 7.96 1zr6A1 SER 281 HA -0.24 0.22 0.66 -0.75 4.49 4.39 1zr6A1 SER 281 HB2 -0.57 -0.06 -0.14 -0.04 3.95 3.14 1zr6A1 SER 281 HB3 -0.34 0.14 -0.30 -0.04 3.93 3.38 1zr6A1 THR 282 H -0.30 0.53 0.28 -0.55 8.28 8.24 1zr6A1 THR 282 HA -0.18 0.10 0.62 -0.75 4.39 4.18 1zr6A1 THR 282 HB -0.11 0.05 -0.18 -0.04 4.32 4.03 1zr6A1 THR 282 HG23 -0.13 0.01 -0.20 -0.04 1.22 0.86 1zr6A1 ILE 283 H -0.15 0.15 0.15 -0.55 8.25 7.86 1zr6A1 ILE 283 HA -0.17 0.14 0.79 -0.75 4.18 4.20 1zr6A1 ILE 283 HB -0.10 -0.01 0.16 -0.04 1.89 1.90 1zr6A1 ILE 283 HG12 -0.16 0.03 -0.00 -0.04 1.49 1.31 1zr6A1 ILE 283 HG13 -0.16 -0.04 0.05 -0.04 1.21 1.01 1zr6A1 ILE 283 HG23 -0.06 -0.01 -0.09 -0.04 0.93 0.73 1zr6A1 ILE 283 HD13 -0.11 0.00 -0.01 -0.04 0.88 0.72 1zr6A1 SER 284 H -0.11 0.60 0.39 -0.55 8.46 8.79 1zr6A1 SER 284 HA -0.09 0.19 0.86 -0.75 4.49 4.70 1zr6A1 SER 284 HB2 -0.09 -0.00 0.07 -0.04 3.95 3.89 1zr6A1 SER 284 HB3 -0.12 0.01 -0.03 -0.04 3.93 3.75 1zr6A1 LYS 285 H -0.05 0.32 0.21 -0.55 8.42 8.34 1zr6A1 LYS 285 HA -0.06 0.13 0.54 -0.75 4.32 4.18 1zr6A1 LYS 285 HB2 -0.07 -0.11 -0.08 -0.04 1.87 1.57 1zr6A1 LYS 285 HB3 -0.09 0.02 -0.11 -0.04 1.79 1.58 1zr6A1 LYS 285 HG2 -0.09 0.08 0.05 -0.04 1.46 1.46 1zr6A1 LYS 285 HG3 -0.08 -0.01 -0.43 -0.04 1.46 0.89 1zr6A1 LYS 285 HD2 -0.11 -0.02 -0.16 -0.04 1.69 1.35 1zr6A1 LYS 285 HD3 -0.14 0.00 -0.09 -0.04 1.68 1.41 1zr6A1 LYS 285 HE2 -0.10 0.02 -0.04 -0.04 2.99 2.83 1zr6A1 LYS 285 HE3 -0.08 -0.01 -0.08 -0.04 2.99 2.77 1zr6A1 LEU 286 H -0.04 0.21 -0.05 -0.55 8.37 7.95 1zr6A1 LEU 286 HA 0.03 0.25 0.69 -0.75 4.35 4.56 1zr6A1 LEU 286 HB2 -0.02 0.07 -0.14 -0.04 1.64 1.51 1zr6A1 LEU 286 HB3 -0.03 -0.01 0.08 -0.04 1.64 1.63 1zr6A1 LEU 286 HG -0.01 -0.06 -0.15 -0.04 1.64 1.38 1zr6A1 LEU 286 HD13 -0.02 0.02 -0.01 -0.04 0.93 0.87 1zr6A1 LEU 286 HD23 -0.04 -0.01 -0.04 -0.04 0.89 0.76 1zr6A1 VAL 287 H -0.01 0.64 0.27 -0.55 8.24 8.58 1zr6A1 VAL 287 HA -0.02 0.12 0.94 -0.75 4.13 4.42 1zr6A1 VAL 287 HB -0.05 0.02 -0.14 -0.04 2.12 1.91 1zr6A1 VAL 287 HG13 -0.09 -0.01 -0.04 -0.04 0.97 0.79 1zr6A1 VAL 287 HG23 -0.05 0.04 -0.04 -0.04 0.95 0.87 1zr6A1 GLU 288 H -0.01 0.15 0.23 -0.55 8.60 8.42 1zr6A1 GLU 288 HA 0.01 0.21 0.88 -0.75 4.29 4.65 1zr6A1 GLU 288 HB2 0.01 0.01 0.17 -0.04 2.09 2.24 1zr6A1 GLU 288 HB3 0.02 0.07 0.09 -0.04 1.99 2.14 1zr6A1 GLU 288 HG2 0.05 -0.00 0.04 -0.04 2.34 2.39 1zr6A1 GLU 288 HG3 0.02 -0.00 0.08 -0.04 2.34 2.39 1zr6A1 THR 289 H -0.00 0.72 0.46 -0.55 8.28 8.90 1zr6A1 THR 289 HA -0.01 0.11 0.63 -0.75 4.39 4.38 1zr6A1 THR 289 HB -0.06 0.08 -0.24 -0.04 4.32 4.06 1zr6A1 THR 289 HG23 -0.08 0.08 -0.17 -0.04 1.22 1.01 1zr6A1 ASP 290 H 0.02 0.03 0.16 -0.55 8.40 8.06 1zr6A1 ASP 290 HA 0.08 0.32 0.81 -0.75 4.63 5.09 1zr6A1 ASP 290 HB2 0.12 0.05 0.17 -0.04 2.71 3.01 1zr6A1 ASP 290 HB3 0.06 0.15 0.02 -0.04 2.70 2.89 1zr6A1 TRP 291 H 0.30 0.37 0.07 -0.55 7.97 8.16 1zr6A1 TRP 291 HA -0.03 0.08 0.32 -0.75 4.62 4.23 1zr6A1 TRP 291 HB2 0.00 0.15 0.06 -0.04 3.23 3.40 1zr6A1 TRP 291 HB3 0.01 -0.02 0.05 -0.04 3.23 3.23 1zr6A1 TRP 291 HD1 -0.03 0.05 -0.11 -0.04 7.22 7.10 1zr6A1 TRP 291 HE1 -0.09 -0.01 0.01 -0.04 10.20 10.07 1zr6A1 TRP 291 HE3 -0.04 -0.03 -0.09 -0.04 7.59 7.39 1zr6A1 TRP 291 HZ2 -0.15 0.20 0.01 -0.04 7.44 7.46 1zr6A1 TRP 291 HZ3 -0.06 0.00 -0.11 -0.04 7.13 6.92 1zr6A1 TRP 291 HH2 0.26 -0.04 -0.10 -0.04 7.19 7.27 1zr6A1 TYR 292 H 0.28 0.15 -0.09 -0.55 8.29 8.08 1zr6A1 TYR 292 HA -0.10 0.11 0.34 -0.75 4.56 4.15 1zr6A1 TYR 292 HB2 0.02 0.07 0.07 -0.04 3.06 3.17 1zr6A1 TYR 292 HB3 -0.01 -0.06 0.02 -0.04 2.98 2.89 1zr6A1 TYR 292 HD2 -0.04 0.00 -0.07 -0.04 7.15 6.99 1zr6A1 TYR 292 HE2 -0.05 0.01 -0.04 -0.04 6.85 6.73 1zr6A1 GLY 293 H 0.04 -0.02 -0.45 -0.55 8.43 7.45 1zr6A1 GLY 293 HA2 -0.21 0.07 0.31 -0.51 4.01 3.68 1zr6A1 GLY 293 HA3 -0.09 -0.04 0.26 -0.51 4.01 3.62 1zr6A1 GLN 294 H -0.20 0.51 -0.11 -0.55 8.47 8.12 1zr6A1 GLN 294 HA -0.28 0.04 0.37 -0.75 4.36 3.75 1zr6A1 GLN 294 HB2 -0.17 -0.04 -0.05 -0.04 2.15 1.85 1zr6A1 GLN 294 HB3 -0.18 0.00 -0.04 -0.04 2.02 1.76 1zr6A1 GLN 294 HG2 -0.45 -0.04 -0.08 -0.04 2.40 1.79 1zr6A1 GLN 294 HG3 -0.64 0.30 0.14 -0.04 2.39 2.15 1zr6A1 GLN 294 HE21 -0.94 -0.01 -0.13 -0.04 6.97 5.85 1zr6A1 GLN 294 HE22 -2.94 0.02 -0.06 -0.04 7.69 4.66 1zr6A1 ILE 295 H -0.46 0.51 -0.20 -0.55 8.25 7.56 1zr6A1 ILE 295 HA -0.25 0.04 0.35 -0.75 4.18 3.56 1zr6A1 ILE 295 HB -0.38 0.12 0.12 -0.04 1.89 1.71 1zr6A1 ILE 295 HG12 -0.49 -0.01 -0.02 -0.04 1.49 0.93 1zr6A1 ILE 295 HG13 -0.95 0.15 0.03 -0.04 1.21 0.40 1zr6A1 ILE 295 HG23 -0.18 -0.01 -0.15 -0.04 0.93 0.56 1zr6A1 ILE 295 HD13 -0.27 -0.03 -0.10 -0.04 0.88 0.43 1zr6A1 ASN 296 H -0.41 0.48 -0.24 -0.55 8.53 7.81 1zr6A1 ASN 296 HA -0.29 0.03 0.41 -0.75 4.76 4.15 1zr6A1 ASN 296 HB2 -0.41 0.10 0.08 -0.04 2.88 2.61 1zr6A1 ASN 296 HB3 -0.30 -0.06 0.11 -0.04 2.79 2.49 1zr6A1 ASN 296 HD21 -1.41 -0.10 -0.02 -0.04 7.03 5.45 1zr6A1 ASN 296 HD22 -1.00 0.71 0.13 -0.04 7.74 7.53 1zr6A1 THR 297 H -0.39 0.39 -0.82 -0.55 8.28 6.92 1zr6A1 THR 297 HA -0.46 0.08 0.63 -0.75 4.39 3.88 1zr6A1 THR 297 HB -0.93 0.21 0.12 -0.04 4.32 3.68 1zr6A1 THR 297 HG23 -0.95 -0.04 -0.04 -0.04 1.22 0.15 1zr6A1 TYR 298 H -0.28 0.43 -0.17 -0.55 8.29 7.72 1zr6A1 TYR 298 HA -0.78 0.17 0.91 -0.75 4.56 4.10 1zr6A1 TYR 298 HB2 -0.06 0.08 0.13 -0.04 3.06 3.17 1zr6A1 TYR 298 HB3 0.05 -0.08 0.12 -0.04 2.98 3.03 1zr6A1 TYR 298 HD2 -0.07 0.09 -0.05 -0.04 7.15 7.07 1zr6A1 TYR 298 HE2 -0.36 -0.02 -0.09 -0.04 6.85 6.34 1zr6A1 LEU 299 H -0.36 0.18 -0.26 -0.55 8.37 7.39 1zr6A1 LEU 299 HA -0.06 0.21 0.66 -0.75 4.35 4.41 1zr6A1 LEU 299 HB2 -0.15 -0.07 -0.01 -0.04 1.64 1.37 1zr6A1 LEU 299 HB3 -0.08 0.10 -0.03 -0.04 1.64 1.59 1zr6A1 LEU 299 HG -0.21 0.01 -0.02 -0.04 1.64 1.38 1zr6A1 LEU 299 HD13 -0.14 -0.00 -0.05 -0.04 0.93 0.70 1zr6A1 LEU 299 HD23 -0.11 0.01 -0.12 -0.04 0.89 0.63 1zr6A1 TYR 300 H -0.45 0.11 -0.08 -0.55 8.29 7.32 1zr6A1 TYR 300 HA -0.06 0.05 0.26 -0.75 4.56 4.06 1zr6A1 TYR 300 HB2 -0.04 0.14 -0.18 -0.04 3.06 2.93 1zr6A1 TYR 300 HB3 -0.06 0.01 0.12 -0.04 2.98 3.01 1zr6A1 TYR 300 HD2 -0.06 0.04 -0.20 -0.04 7.15 6.89 1zr6A1 TYR 300 HE2 -0.00 -0.00 -0.06 -0.04 6.85 6.75 1zr6A1 GLY 301 H -0.04 0.07 -0.19 -0.55 8.43 7.72 1zr6A1 GLY 301 HA2 -0.00 -0.01 0.26 -0.51 4.01 3.75 1zr6A1 GLY 301 HA3 0.04 0.14 0.51 -0.51 4.01 4.19 1zr6A1 ALA 302 H 0.04 0.41 -0.61 -0.55 8.40 7.69 1zr6A1 ALA 302 HA 0.07 0.04 0.45 -0.75 4.34 4.15 1zr6A1 ALA 302 HB3 0.05 0.01 0.05 -0.04 1.41 1.48 1zr6A1 ASP 303 H 0.07 0.09 0.10 -0.55 8.40 8.11 1zr6A1 ASP 303 HA 0.00 0.08 0.45 -0.75 4.63 4.40 1zr6A1 ASP 303 HB2 0.05 -0.01 -0.04 -0.04 2.71 2.66 1zr6A1 ASP 303 HB3 0.01 -0.03 -0.08 -0.04 2.70 2.57 1zr6A1 LEU 304 H -0.02 0.12 0.11 -0.55 8.37 8.03 1zr6A1 LEU 304 HA -0.06 0.13 0.47 -0.75 4.35 4.14 1zr6A1 LEU 304 HB2 -0.08 0.06 0.06 -0.04 1.64 1.65 1zr6A1 LEU 304 HB3 -0.02 -0.05 0.10 -0.04 1.64 1.64 1zr6A1 LEU 304 HG -0.01 -0.01 -0.29 -0.04 1.64 1.29 1zr6A1 LEU 304 HD13 -0.09 0.00 -0.00 -0.04 0.93 0.79 1zr6A1 LEU 304 HD23 -0.04 0.00 -0.05 -0.04 0.89 0.77 1zr6A1 ASN 305 H -0.01 0.09 -0.08 -0.55 8.53 7.99 1zr6A1 ASN 305 HA 0.02 0.11 0.65 -0.75 4.76 4.80 1zr6A1 ASN 305 HB2 0.02 -0.00 -0.01 -0.04 2.88 2.86 1zr6A1 ASN 305 HB3 0.01 0.00 0.15 -0.04 2.79 2.91 1zr6A1 ASN 305 HD21 0.09 0.02 -0.05 -0.04 7.03 7.05 1zr6A1 ASN 305 HD22 0.03 -0.00 -0.01 -0.04 7.74 7.72 1zr6A1 ILE 306 H -0.05 0.24 0.03 -0.55 8.25 7.93 1zr6A1 ILE 306 HA -0.09 0.16 0.89 -0.75 4.18 4.38 1zr6A1 ILE 306 HB -0.17 0.03 -0.04 -0.04 1.89 1.67 1zr6A1 ILE 306 HG12 0.03 0.02 -0.24 -0.04 1.49 1.26 1zr6A1 ILE 306 HG13 -0.04 -0.05 -0.66 -0.04 1.21 0.42 1zr6A1 ILE 306 HG23 -0.16 0.05 -0.20 -0.04 0.93 0.59 1zr6A1 ILE 306 HD13 -0.03 -0.04 -0.14 -0.04 0.88 0.64 1zr6A1 THR 307 H -0.25 0.06 -0.02 -0.55 8.28 7.52 1zr6A1 THR 307 HA -0.44 0.23 0.92 -0.75 4.39 4.35 1zr6A1 THR 307 HB -1.12 0.12 0.12 -0.04 4.32 3.40 1zr6A1 THR 307 HG23 -1.03 -0.00 -0.20 -0.04 1.22 -0.05 1zr6A1 TYR 308 H -0.66 0.09 0.12 -0.55 8.29 7.29 1zr6A1 TYR 308 HA 0.01 0.29 0.82 -0.75 4.56 4.93 1zr6A1 TYR 308 HB2 0.07 -0.02 0.04 -0.04 3.06 3.11 1zr6A1 TYR 308 HB3 0.08 0.21 -0.15 -0.04 2.98 3.09 1zr6A1 TYR 308 HD2 0.17 0.04 -0.14 -0.04 7.15 7.18 1zr6A1 TYR 308 HE2 0.12 0.01 -0.02 -0.04 6.85 6.91 1zr6A1 ASN 309 H -0.23 -0.02 -0.18 -0.55 8.53 7.56 1zr6A1 ASN 309 HA 0.13 0.20 0.75 -0.75 4.76 5.09 1zr6A1 ASN 309 HB2 -0.12 -0.06 0.18 -0.04 2.88 2.83 1zr6A1 ASN 309 HB3 0.01 0.04 0.08 -0.04 2.79 2.88 1zr6A1 ASN 309 HD21 0.04 0.02 -0.02 -0.04 7.03 7.03 1zr6A1 ASN 309 HD22 -0.07 0.00 0.01 -0.04 7.74 7.65 1zr6A1 TYR 310 H 0.19 0.39 -0.14 -0.55 8.29 8.18 1zr6A1 TYR 310 HA 0.03 0.09 0.84 -0.75 4.56 4.77 1zr6A1 TYR 310 HB2 0.01 -0.01 -0.30 -0.04 3.06 2.72 1zr6A1 TYR 310 HB3 0.05 0.08 -0.02 -0.04 2.98 3.05 1zr6A1 TYR 310 HD2 0.03 0.06 -0.03 -0.04 7.15 7.17 1zr6A1 TYR 310 HE2 0.01 0.01 -0.02 -0.04 6.85 6.81 1zr6A1 ASP 311 H -0.29 0.10 -0.01 -0.55 8.40 7.66 1zr6A1 ASP 311 HA -0.07 0.30 0.65 -0.75 4.63 4.75 1zr6A1 ASP 311 HB2 0.05 -0.03 -0.31 -0.04 2.71 2.38 1zr6A1 ASP 311 HB3 0.03 -0.05 0.06 -0.04 2.70 2.71 1zr6A1 VAL 312 H -0.98 0.12 0.04 -0.55 8.24 6.87 1zr6A1 VAL 312 HA -0.01 0.16 0.84 -0.75 4.13 4.36 1zr6A1 VAL 312 HB -0.29 -0.02 0.06 -0.04 2.12 1.82 1zr6A1 VAL 312 HG13 0.25 0.01 -0.08 -0.04 0.97 1.11 1zr6A1 VAL 312 HG23 -0.11 -0.03 -0.02 -0.04 0.95 0.74 1zr6A1 HIS 313 H 0.18 0.19 0.22 -0.55 8.41 8.46 1zr6A1 HIS 313 HA -0.07 0.23 0.91 -0.75 4.63 4.94 1zr6A1 HIS 313 HB2 0.03 -0.10 -0.01 -0.04 3.26 3.16 1zr6A1 HIS 313 HB3 -0.13 0.05 0.14 -0.04 3.20 3.22 1zr6A1 HIS 313 HD2 0.02 -0.01 -0.45 -0.04 6.97 6.49 1zr6A1 HIS 313 HE1 0.07 0.29 -0.21 -0.04 7.75 7.85 1zr6A1 GLU 314 H -0.42 0.69 0.43 -0.55 8.60 8.75 1zr6A1 GLU 314 HA 0.02 0.17 0.70 -0.75 4.29 4.42 1zr6A1 GLU 314 HB2 -0.32 -0.02 -0.08 -0.04 2.09 1.62 1zr6A1 GLU 314 HB3 0.17 -0.06 0.01 -0.04 1.99 2.07 1zr6A1 GLU 314 HG2 0.20 0.05 0.07 -0.04 2.34 2.62 1zr6A1 GLU 314 HG3 0.17 0.03 -0.37 -0.04 2.34 2.13 1zr6A1 TYR 315 H 0.05 0.31 0.15 -0.55 8.29 8.25 1zr6A1 TYR 315 HA -0.41 -0.03 0.87 -0.75 4.56 4.24 1zr6A1 TYR 315 HB2 -1.04 0.03 -0.07 -0.04 3.06 1.93 1zr6A1 TYR 315 HB3 -0.22 0.11 0.26 -0.04 2.98 3.09 1zr6A1 TYR 315 HD2 -0.26 -0.02 -0.18 -0.04 7.15 6.65 1zr6A1 TYR 315 HE2 -0.14 0.06 -0.10 -0.04 6.85 6.62 1zr6A1 PHE 316 H -0.86 0.22 0.19 -0.55 8.34 7.33 1zr6A1 PHE 316 HA -0.32 0.22 0.83 -0.75 4.62 4.60 1zr6A1 PHE 316 HB2 -0.67 0.07 -0.03 -0.04 3.15 2.48 1zr6A1 PHE 316 HB3 -0.26 -0.01 -0.26 -0.04 3.06 2.48 1zr6A1 PHE 316 HD2 -0.67 -0.07 -0.39 -0.04 7.28 6.10 1zr6A1 PHE 316 HE2 -0.81 0.00 -0.12 -0.04 7.38 6.41 1zr6A1 PHE 316 HZ 0.11 0.02 -0.08 -0.04 7.32 7.32 1zr6A1 TYR 317 H -0.18 0.67 0.36 -0.55 8.29 8.60 1zr6A1 TYR 317 HA -0.36 0.16 0.91 -0.75 4.56 4.51 1zr6A1 TYR 317 HB2 -0.52 0.05 0.01 -0.04 3.06 2.55 1zr6A1 TYR 317 HB3 -0.22 -0.01 0.14 -0.04 2.98 2.85 1zr6A1 TYR 317 HD2 0.09 -0.01 0.04 -0.04 7.15 7.23 1zr6A1 TYR 317 HE2 0.10 -0.14 0.04 -0.04 6.85 6.81 1zr6A1 ALA 318 H -0.39 0.19 0.22 -0.55 8.40 7.88 1zr6A1 ALA 318 HA -0.45 0.26 1.14 -0.75 4.34 4.54 1zr6A1 ALA 318 HB3 -0.19 0.00 0.10 -0.04 1.41 1.28 1zr6A1 ASN 319 H -0.06 0.58 0.45 -0.55 8.53 8.95 1zr6A1 ASN 319 HA -0.01 0.09 0.49 -0.75 4.76 4.58 1zr6A1 ASN 319 HB2 -0.33 -0.04 -0.32 -0.04 2.88 2.15 1zr6A1 ASN 319 HB3 -0.24 -0.00 -0.06 -0.04 2.79 2.44 1zr6A1 ASN 319 HD21 -0.00 -0.00 -0.00 -0.04 7.03 6.98 1zr6A1 ASN 319 HD22 0.04 -0.05 -0.12 -0.04 7.74 7.56 1zr6A1 SER 320 H 0.10 0.26 0.27 -0.55 8.46 8.54 1zr6A1 SER 320 HA 0.46 0.16 0.70 -0.75 4.49 5.05 1zr6A1 SER 320 HB2 0.39 0.00 0.38 -0.04 3.95 4.68 1zr6A1 SER 320 HB3 0.45 0.05 0.12 -0.04 3.93 4.51 1zr6A1 LEU 321 H 0.32 0.38 0.39 -0.55 8.37 8.91 1zr6A1 LEU 321 HA 0.08 0.41 0.80 -0.75 4.35 4.88 1zr6A1 LEU 321 HB2 -0.00 0.10 -0.06 -0.04 1.64 1.63 1zr6A1 LEU 321 HB3 0.26 -0.13 -0.09 -0.04 1.64 1.64 1zr6A1 LEU 321 HG 0.13 0.02 -0.33 -0.04 1.64 1.41 1zr6A1 LEU 321 HD13 -0.06 0.05 0.17 -0.04 0.93 1.04 1zr6A1 LEU 321 HD23 -0.75 -0.02 -0.09 -0.04 0.89 -0.01 1zr6A1 THR 322 H 0.06 0.55 0.22 -0.55 8.28 8.56 1zr6A1 THR 322 HA 0.02 0.31 0.93 -0.75 4.39 4.89 1zr6A1 THR 322 HB -0.21 0.08 0.11 -0.04 4.32 4.25 1zr6A1 THR 322 HG23 -0.57 -0.05 -0.26 -0.04 1.22 0.30 1zr6A1 ALA 323 H 0.14 0.46 0.28 -0.55 8.40 8.73 1zr6A1 ALA 323 HA 0.14 0.28 0.63 -0.75 4.34 4.62 1zr6A1 ALA 323 HB3 0.36 0.01 -0.10 -0.04 1.41 1.64 1zr6A1 PRO 324 HA -0.01 -0.08 0.74 -0.51 4.44 4.58 1zr6A1 PRO 324 HB2 0.04 -0.01 0.21 -0.04 2.28 2.48 1zr6A1 PRO 324 HB3 0.04 0.08 0.17 -0.04 2.02 2.26 1zr6A1 PRO 324 HG2 0.10 0.16 -0.04 -0.04 2.03 2.21 1zr6A1 PRO 324 HG3 0.06 0.01 0.09 -0.04 2.03 2.15 1zr6A1 PRO 324 HD2 0.11 0.12 0.21 -0.04 3.68 4.08 1zr6A1 PRO 324 HD3 0.08 0.22 0.18 -0.04 3.65 4.08 1zr6A1 ARG 325 H -0.00 0.11 0.18 -0.55 8.46 8.19 1zr6A1 ARG 325 HA 0.13 0.01 0.40 -0.75 4.34 4.13 1zr6A1 ARG 325 HB2 -0.01 0.01 0.14 -0.04 1.90 2.01 1zr6A1 ARG 325 HB3 0.06 -0.01 0.08 -0.04 1.80 1.88 1zr6A1 ARG 325 HG2 0.16 0.12 -0.13 -0.04 1.67 1.78 1zr6A1 ARG 325 HG3 0.11 0.00 0.02 -0.04 1.67 1.76 1zr6A1 ARG 325 HD2 0.08 0.00 -0.04 -0.04 3.22 3.22 1zr6A1 ARG 325 HD3 0.04 0.00 -0.01 -0.04 3.22 3.22 1zr6A1 LEU 326 H 0.43 0.08 0.15 -0.55 8.37 8.49 1zr6A1 LEU 326 HA 0.19 0.21 0.82 -0.75 4.35 4.82 1zr6A1 LEU 326 HB2 0.33 -0.03 0.01 -0.04 1.64 1.91 1zr6A1 LEU 326 HB3 0.20 -0.06 0.04 -0.04 1.64 1.77 1zr6A1 LEU 326 HG 0.61 0.03 -0.05 -0.04 1.64 2.18 1zr6A1 LEU 326 HD13 0.16 -0.02 -0.13 -0.04 0.93 0.90 1zr6A1 LEU 326 HD23 0.24 0.03 -0.17 -0.04 0.89 0.95 1zr6A1 SER 327 H 0.12 0.14 0.17 -0.55 8.46 8.34 1zr6A1 SER 327 HA 0.10 0.21 0.60 -0.75 4.49 4.64 1zr6A1 SER 327 HB2 0.07 -0.01 0.19 -0.04 3.95 4.16 1zr6A1 SER 327 HB3 0.07 0.16 0.14 -0.04 3.93 4.26 1zr6A1 ASP 328 H 0.08 0.21 0.17 -0.55 8.40 8.31 1zr6A1 ASP 328 HA 0.10 0.12 0.40 -0.75 4.63 4.49 1zr6A1 ASP 328 HB2 0.06 0.01 0.11 -0.04 2.71 2.85 1zr6A1 ASP 328 HB3 0.06 0.02 0.03 -0.04 2.70 2.77 1zr6A1 GLU 329 H 0.07 0.08 -0.23 -0.55 8.60 7.97 1zr6A1 GLU 329 HA 0.06 0.08 0.41 -0.75 4.29 4.10 1zr6A1 GLU 329 HB2 0.04 0.01 0.07 -0.04 2.09 2.18 1zr6A1 GLU 329 HB3 0.05 -0.02 0.07 -0.04 1.99 2.06 1zr6A1 GLU 329 HG2 0.04 0.10 -0.38 -0.04 2.34 2.06 1zr6A1 GLU 329 HG3 0.04 -0.03 0.00 -0.04 2.34 2.32 1zr6A1 ALA 330 H 0.09 0.08 -0.20 -0.55 8.40 7.82 1zr6A1 ALA 330 HA 0.06 0.33 0.45 -0.75 4.34 4.43 1zr6A1 ALA 330 HB3 0.07 0.02 0.09 -0.04 1.41 1.55 1zr6A1 ILE 331 H 0.16 0.35 -0.20 -0.55 8.25 8.01 1zr6A1 ILE 331 HA 0.32 0.06 0.34 -0.75 4.18 4.14 1zr6A1 ILE 331 HB 0.16 0.01 0.08 -0.04 1.89 2.10 1zr6A1 ILE 331 HG12 0.35 -0.01 -0.09 -0.04 1.49 1.69 1zr6A1 ILE 331 HG13 0.22 0.07 -0.08 -0.04 1.21 1.38 1zr6A1 ILE 331 HG23 0.18 0.01 -0.12 -0.04 0.93 0.96 1zr6A1 ILE 331 HD13 0.19 -0.01 -0.18 -0.04 0.88 0.85 1zr6A1 GLN 332 H 0.14 0.69 -0.09 -0.55 8.47 8.67 1zr6A1 GLN 332 HA 0.14 -0.02 0.38 -0.75 4.36 4.10 1zr6A1 GLN 332 HB2 0.08 0.02 0.13 -0.04 2.15 2.33 1zr6A1 GLN 332 HB3 0.08 0.08 0.14 -0.04 2.02 2.27 1zr6A1 GLN 332 HG2 0.04 -0.00 -0.04 -0.04 2.40 2.36 1zr6A1 GLN 332 HG3 0.06 -0.02 -0.17 -0.04 2.39 2.22 1zr6A1 GLN 332 HE21 -0.01 -0.04 -0.05 -0.04 6.97 6.83 1zr6A1 GLN 332 HE22 0.02 -0.02 -0.00 -0.04 7.69 7.65 1zr6A1 ALA 333 H 0.13 0.64 -0.19 -0.55 8.40 8.44 1zr6A1 ALA 333 HA 0.10 -0.03 0.41 -0.75 4.34 4.07 1zr6A1 ALA 333 HB3 0.07 0.04 0.11 -0.04 1.41 1.59 1zr6A1 PHE 334 H 0.33 0.56 -0.24 -0.55 8.34 8.44 1zr6A1 PHE 334 HA 0.20 0.04 0.39 -0.75 4.62 4.50 1zr6A1 PHE 334 HB2 0.12 0.05 0.03 -0.04 3.15 3.32 1zr6A1 PHE 334 HB3 0.31 0.09 0.13 -0.04 3.06 3.55 1zr6A1 PHE 334 HD2 0.28 0.05 -0.15 -0.04 7.28 7.41 1zr6A1 PHE 334 HE2 0.18 -0.01 -0.12 -0.04 7.38 7.38 1zr6A1 PHE 334 HZ 0.27 -0.03 -0.12 -0.04 7.32 7.40 1zr6A1 VAL 335 H 0.44 0.59 -0.13 -0.55 8.24 8.59 1zr6A1 VAL 335 HA 0.40 0.02 0.39 -0.75 4.13 4.18 1zr6A1 VAL 335 HB 0.21 0.10 0.14 -0.04 2.12 2.53 1zr6A1 VAL 335 HG13 0.12 0.01 -0.06 -0.04 0.97 1.00 1zr6A1 VAL 335 HG23 0.46 0.04 -0.06 -0.04 0.95 1.35 1zr6A1 ASP 336 H 0.15 0.71 -0.09 -0.55 8.40 8.63 1zr6A1 ASP 336 HA 0.09 -0.05 0.38 -0.75 4.63 4.30 1zr6A1 ASP 336 HB2 0.08 0.12 0.14 -0.04 2.71 3.02 1zr6A1 ASP 336 HB3 0.04 -0.05 -0.01 -0.04 2.70 2.64 1zr6A1 TYR 337 H 0.12 0.55 -0.36 -0.55 8.29 8.05 1zr6A1 TYR 337 HA -0.20 -0.03 0.37 -0.75 4.56 3.95 1zr6A1 TYR 337 HB2 -0.26 0.17 0.13 -0.04 3.06 3.07 1zr6A1 TYR 337 HB3 -0.76 0.11 0.06 -0.04 2.98 2.35 1zr6A1 TYR 337 HD2 -1.49 0.00 -0.16 -0.04 7.15 5.45 1zr6A1 TYR 337 HE2 -0.35 -0.01 -0.07 -0.04 6.85 6.37 1zr6A1 LYS 338 H 0.04 0.47 -0.15 -0.55 8.42 8.23 1zr6A1 LYS 338 HA 0.11 -0.01 0.35 -0.75 4.32 4.01 1zr6A1 LYS 338 HB2 0.39 -0.04 0.04 -0.04 1.87 2.21 1zr6A1 LYS 338 HB3 0.26 0.11 0.16 -0.04 1.79 2.29 1zr6A1 LYS 338 HG2 -0.20 0.03 -0.40 -0.04 1.46 0.86 1zr6A1 LYS 338 HG3 0.45 -0.07 -0.09 -0.04 1.46 1.72 1zr6A1 LYS 338 HD2 0.46 -0.06 -0.06 -0.04 1.69 1.99 1zr6A1 LYS 338 HD3 0.18 -0.06 -0.06 -0.04 1.68 1.70 1zr6A1 LYS 338 HE2 -0.38 -0.03 -0.11 -0.04 2.99 2.42 1zr6A1 LYS 338 HE3 0.08 0.13 -0.02 -0.04 2.99 3.13 1zr6A1 PHE 339 H 0.34 0.47 -0.15 -0.55 8.34 8.44 1zr6A1 PHE 339 HA 0.05 0.11 0.55 -0.75 4.62 4.58 1zr6A1 PHE 339 HB2 -0.00 0.06 0.14 -0.04 3.15 3.31 1zr6A1 PHE 339 HB3 0.00 -0.06 0.01 -0.04 3.06 2.98 1zr6A1 PHE 339 HD2 -0.01 0.17 0.05 -0.04 7.28 7.45 1zr6A1 PHE 339 HE2 -0.39 -0.02 -0.04 -0.04 7.38 6.90 1zr6A1 PHE 339 HZ 0.01 0.15 -0.22 -0.04 7.32 7.22 1zr6A1 ASP 340 H 0.02 0.58 -0.04 -0.55 8.40 8.41 1zr6A1 ASP 340 HA -0.01 0.22 1.09 -0.75 4.63 5.17 1zr6A1 ASP 340 HB2 -0.07 0.06 0.03 -0.04 2.71 2.69 1zr6A1 ASP 340 HB3 -0.05 -0.06 0.09 -0.04 2.70 2.64 1zr6A1 ASN 341 H -0.32 0.63 0.05 -0.55 8.53 8.35 1zr6A1 ASN 341 HA -0.29 0.19 1.04 -0.75 4.76 4.95 1zr6A1 ASN 341 HB2 -1.67 0.05 0.10 -0.04 2.88 1.31 1zr6A1 ASN 341 HB3 -0.64 -0.05 0.18 -0.04 2.79 2.23 1zr6A1 ASN 341 HD21 -0.15 -0.03 -0.10 -0.04 7.03 6.70 1zr6A1 ASN 341 HD22 -0.23 -0.01 -0.02 -0.04 7.74 7.44 1zr6A1 SER 342 H -0.15 0.21 -0.14 -0.55 8.46 7.85 1zr6A1 SER 342 HA -0.39 0.21 0.93 -0.75 4.49 4.48 1zr6A1 SER 342 HB2 0.22 -0.13 0.15 -0.04 3.95 4.15 1zr6A1 SER 342 HB3 -0.08 0.01 -0.01 -0.04 3.93 3.81 1zr6A1 SER 343 H -0.17 0.11 -0.24 -0.55 8.46 7.62 1zr6A1 SER 343 HA 0.04 0.08 0.62 -0.75 4.49 4.47 1zr6A1 SER 343 HB2 -0.03 0.02 0.03 -0.04 3.95 3.93 1zr6A1 SER 343 HB3 -0.09 -0.01 0.05 -0.04 3.93 3.84 1zr6A1 VAL 344 H 0.05 0.22 0.22 -0.55 8.24 8.19 1zr6A1 VAL 344 HA -0.10 0.14 0.85 -0.75 4.13 4.28 1zr6A1 VAL 344 HB 0.04 -0.02 0.00 -0.04 2.12 2.10 1zr6A1 VAL 344 HG13 -0.17 0.01 -0.29 -0.04 0.97 0.48 1zr6A1 VAL 344 HG23 0.22 0.01 -0.11 -0.04 0.95 1.03 1zr6A1 ARG 345 H -0.02 0.09 0.10 -0.55 8.46 8.07 1zr6A1 ARG 345 HA 0.01 0.08 0.41 -0.75 4.34 4.08 1zr6A1 ARG 345 HB2 0.00 0.06 0.10 -0.04 1.90 2.03 1zr6A1 ARG 345 HB3 -0.02 -0.05 0.09 -0.04 1.80 1.78 1zr6A1 ARG 345 HG2 0.00 -0.08 -0.01 -0.04 1.67 1.55 1zr6A1 ARG 345 HG3 0.03 0.06 -0.40 -0.04 1.67 1.31 1zr6A1 ARG 345 HD2 -0.00 0.02 -0.06 -0.04 3.22 3.14 1zr6A1 ARG 345 HD3 -0.02 -0.08 -0.09 -0.04 3.22 3.00 1zr6A1 PRO 346 HA 0.08 0.07 0.59 -0.51 4.44 4.67 1zr6A1 PRO 346 HB2 0.04 0.02 0.06 -0.04 2.28 2.35 1zr6A1 PRO 346 HB3 0.03 0.03 0.16 -0.04 2.02 2.21 1zr6A1 PRO 346 HG2 0.02 0.03 0.14 -0.04 2.03 2.18 1zr6A1 PRO 346 HG3 0.01 0.04 0.11 -0.04 2.03 2.15 1zr6A1 PRO 346 HD2 0.01 0.06 0.24 -0.04 3.68 3.95 1zr6A1 PRO 346 HD3 0.02 0.14 0.21 -0.04 3.65 3.97 1zr6A1 GLY 347 H 0.16 0.18 0.21 -0.55 8.43 8.44 1zr6A1 GLY 347 HA2 0.20 -0.05 0.38 -0.51 4.01 4.03 1zr6A1 GLY 347 HA3 0.09 0.22 0.82 -0.51 4.01 4.63 1zr6A1 ARG 348 H 0.11 0.50 -0.06 -0.55 8.46 8.46 1zr6A1 ARG 348 HA -0.11 0.20 1.08 -0.75 4.34 4.76 1zr6A1 ARG 348 HB2 0.04 0.01 -0.04 -0.04 1.90 1.87 1zr6A1 ARG 348 HB3 0.06 0.07 0.03 -0.04 1.80 1.93 1zr6A1 ARG 348 HG2 0.14 -0.04 -0.07 -0.04 1.67 1.65 1zr6A1 ARG 348 HG3 0.09 0.13 0.08 -0.04 1.67 1.93 1zr6A1 ARG 348 HD2 0.05 0.09 0.04 -0.04 3.22 3.37 1zr6A1 ARG 348 HD3 0.02 -0.13 0.03 -0.04 3.22 3.10 1zr6A1 GLY 349 H -0.14 0.71 0.41 -0.55 8.43 8.86 1zr6A1 GLY 349 HA2 0.22 0.14 0.74 -0.51 4.01 4.60 1zr6A1 GLY 349 HA3 0.30 -0.01 0.33 -0.51 4.01 4.12 1zr6A1 TRP 350 H -0.00 0.23 0.31 -0.55 7.97 7.95 1zr6A1 TRP 350 HA 0.09 0.24 1.07 -0.75 4.62 5.27 1zr6A1 TRP 350 HB2 0.19 0.07 0.21 -0.04 3.23 3.66 1zr6A1 TRP 350 HB3 0.39 -0.03 -0.04 -0.04 3.23 3.50 1zr6A1 TRP 350 HD1 0.21 -0.02 -0.03 -0.04 7.22 7.34 1zr6A1 TRP 350 HE1 0.18 0.35 0.16 -0.04 10.20 10.84 1zr6A1 TRP 350 HE3 0.12 0.04 -0.29 -0.04 7.59 7.41 1zr6A1 TRP 350 HZ2 0.24 0.12 -0.06 -0.04 7.44 7.71 1zr6A1 TRP 350 HZ3 0.08 0.01 -0.24 -0.04 7.13 6.93 1zr6A1 TRP 350 HH2 0.31 0.08 -0.28 -0.04 7.19 7.26 1zr6A1 TRP 351 H 0.09 0.56 0.47 -0.55 7.97 8.55 1zr6A1 TRP 351 HA -0.06 0.26 0.79 -0.75 4.62 4.85 1zr6A1 TRP 351 HB2 -0.02 0.01 0.13 -0.04 3.23 3.31 1zr6A1 TRP 351 HB3 -0.09 0.05 0.04 -0.04 3.23 3.20 1zr6A1 TRP 351 HD1 0.06 -0.00 -0.26 -0.04 7.22 6.98 1zr6A1 TRP 351 HE1 -0.22 -0.00 -0.12 -0.04 10.20 9.82 1zr6A1 TRP 351 HE3 -0.02 0.06 -0.48 -0.04 7.59 7.11 1zr6A1 TRP 351 HZ2 -1.41 0.00 -0.10 -0.04 7.44 5.90 1zr6A1 TRP 351 HZ3 -0.13 -0.04 -0.14 -0.04 7.13 6.78 1zr6A1 TRP 351 HH2 -0.39 -0.02 -0.10 -0.04 7.19 6.64 1zr6A1 ILE 352 H 0.47 0.67 0.47 -0.55 8.25 9.31 1zr6A1 ILE 352 HA 0.06 0.29 1.10 -0.75 4.18 4.88 1zr6A1 ILE 352 HB 0.36 -0.03 0.08 -0.04 1.89 2.26 1zr6A1 ILE 352 HG12 -0.31 -0.01 0.08 -0.04 1.49 1.20 1zr6A1 ILE 352 HG13 0.32 -0.08 -0.45 -0.04 1.21 0.95 1zr6A1 ILE 352 HG23 -0.08 0.01 -0.16 -0.04 0.93 0.66 1zr6A1 ILE 352 HD13 -0.90 0.00 -0.12 -0.04 0.88 -0.18 1zr6A1 GLN 353 H 0.14 0.49 0.40 -0.55 8.47 8.96 1zr6A1 GLN 353 HA 0.26 0.43 1.12 -0.75 4.36 5.42 1zr6A1 GLN 353 HB2 0.20 -0.09 0.19 -0.04 2.15 2.41 1zr6A1 GLN 353 HB3 0.18 -0.00 -0.02 -0.04 2.02 2.13 1zr6A1 GLN 353 HG2 0.13 0.06 -0.06 -0.04 2.40 2.48 1zr6A1 GLN 353 HG3 0.58 -0.04 -0.23 -0.04 2.39 2.67 1zr6A1 GLN 353 HE21 -0.17 -0.02 -0.08 -0.04 6.97 6.66 1zr6A1 GLN 353 HE22 -0.31 0.03 -0.09 -0.04 7.69 7.28 1zr6A1 TRP 354 H 0.34 0.59 0.31 -0.55 7.97 8.67 1zr6A1 TRP 354 HA -0.56 0.16 0.85 -0.75 4.62 4.31 1zr6A1 TRP 354 HB2 0.00 0.03 0.03 -0.04 3.23 3.26 1zr6A1 TRP 354 HB3 -0.01 -0.12 0.28 -0.04 3.23 3.34 1zr6A1 TRP 354 HD1 -0.71 0.00 -0.43 -0.04 7.22 6.04 1zr6A1 TRP 354 HE1 -4.05 0.02 -0.14 -0.04 10.20 5.98 1zr6A1 TRP 354 HE3 -0.17 -0.00 -0.09 -0.04 7.59 7.28 1zr6A1 TRP 354 HZ2 -0.80 -0.00 -0.10 -0.04 7.44 6.50 1zr6A1 TRP 354 HZ3 -1.21 0.00 -0.10 -0.04 7.13 5.78 1zr6A1 TRP 354 HH2 -0.22 -0.03 -0.10 -0.04 7.19 6.79 1zr6A1 ASP 355 H -0.31 0.76 0.35 -0.55 8.40 8.66 1zr6A1 ASP 355 HA 0.39 0.11 0.93 -0.75 4.63 5.30 1zr6A1 ASP 355 HB2 -0.20 0.04 0.16 -0.04 2.71 2.67 1zr6A1 ASP 355 HB3 0.12 0.03 -0.08 -0.04 2.70 2.72 1zr6A1 PHE 356 H 0.76 0.56 0.34 -0.55 8.34 9.44 1zr6A1 PHE 356 HA 0.42 0.09 0.60 -0.75 4.62 4.98 1zr6A1 PHE 356 HB2 0.25 0.02 0.34 -0.04 3.15 3.72 1zr6A1 PHE 356 HB3 0.17 0.10 0.16 -0.04 3.06 3.44 1zr6A1 PHE 356 HD2 0.29 0.03 -0.02 -0.04 7.28 7.54 1zr6A1 PHE 356 HE2 0.25 0.02 -0.09 -0.04 7.38 7.51 1zr6A1 PHE 356 HZ -0.16 -0.04 -0.12 -0.04 7.32 6.96 1zr6A1 HIS 357 H 0.23 0.41 0.18 -0.55 8.41 8.68 1zr6A1 HIS 357 HA 0.30 -0.07 0.41 -0.75 4.63 4.52 1zr6A1 HIS 357 HB2 -0.18 -0.16 -0.07 -0.04 3.26 2.81 1zr6A1 HIS 357 HB3 -0.10 0.10 -0.11 -0.04 3.20 3.04 1zr6A1 HIS 357 HD2 -0.36 -0.14 -0.11 -0.04 6.97 6.31 1zr6A1 HIS 357 HE1 0.16 0.39 -0.09 -0.04 7.75 8.17 1zr6A1 GLY 358 H -0.02 0.53 0.16 -0.55 8.43 8.56 1zr6A1 GLY 358 HA2 -0.13 0.11 0.78 -0.51 4.01 4.25 1zr6A1 GLY 358 HA3 -0.06 0.06 0.34 -0.51 4.01 3.84 1zr6A1 GLY 359 H -0.13 0.11 0.06 -0.55 8.43 7.92 1zr6A1 GLY 359 HA2 -0.16 -0.06 0.39 -0.51 4.01 3.67 1zr6A1 GLY 359 HA3 -0.12 0.37 0.86 -0.51 4.01 4.62 1zr6A1 LYS 360 H -0.10 0.47 0.27 -0.55 8.42 8.51 1zr6A1 LYS 360 HA -0.08 0.00 0.37 -0.75 4.32 3.86 1zr6A1 LYS 360 HB2 -0.07 0.08 0.26 -0.04 1.87 2.10 1zr6A1 LYS 360 HB3 -0.08 0.01 0.07 -0.04 1.79 1.75 1zr6A1 LYS 360 HG2 -0.06 0.00 -0.23 -0.04 1.46 1.14 1zr6A1 LYS 360 HG3 -0.05 -0.07 0.05 -0.04 1.46 1.35 1zr6A1 LYS 360 HD2 -0.05 0.06 -0.08 -0.04 1.69 1.59 1zr6A1 LYS 360 HD3 -0.04 -0.08 -0.02 -0.04 1.68 1.50 1zr6A1 LYS 360 HE2 -0.03 -0.08 0.05 -0.04 2.99 2.89 1zr6A1 LYS 360 HE3 -0.05 0.10 0.15 -0.04 2.99 3.15 1zr6A1 ASN 361 H -0.09 0.18 -0.27 -0.55 8.53 7.80 1zr6A1 ASN 361 HA -0.11 0.19 0.80 -0.75 4.76 4.88 1zr6A1 ASN 361 HB2 0.00 0.41 -0.04 -0.04 2.88 3.21 1zr6A1 ASN 361 HB3 -0.04 -0.21 0.13 -0.04 2.79 2.63 1zr6A1 ASN 361 HD21 -0.06 -0.04 -0.19 -0.04 7.03 6.70 1zr6A1 ASN 361 HD22 -0.08 0.42 -0.37 -0.04 7.74 7.67 1zr6A1 SER 362 H -0.24 0.40 -0.53 -0.55 8.46 7.55 1zr6A1 SER 362 HA -1.10 0.23 0.73 -0.75 4.49 3.60 1zr6A1 SER 362 HB2 -0.39 0.25 -0.16 -0.04 3.95 3.60 1zr6A1 SER 362 HB3 -0.24 0.01 -0.12 -0.04 3.93 3.54 1zr6A1 ALA 363 H -0.34 0.79 0.30 -0.55 8.40 8.60 1zr6A1 ALA 363 HA -0.17 0.06 0.33 -0.75 4.34 3.82 1zr6A1 ALA 363 HB3 -0.16 0.00 -0.15 -0.04 1.41 1.06 1zr6A1 LEU 364 H -0.20 0.21 -0.16 -0.55 8.37 7.67 1zr6A1 LEU 364 HA -0.14 -0.06 0.41 -0.75 4.35 3.81 1zr6A1 LEU 364 HB2 -0.18 -0.08 0.04 -0.04 1.64 1.37 1zr6A1 LEU 364 HB3 -0.24 0.22 0.06 -0.04 1.64 1.63 1zr6A1 LEU 364 HG -0.21 -0.09 -0.04 -0.04 1.64 1.26 1zr6A1 LEU 364 HD13 -0.38 -0.02 -0.12 -0.04 0.93 0.37 1zr6A1 LEU 364 HD23 -0.22 0.05 -0.42 -0.04 0.89 0.25 1zr6A1 ALA 365 H -0.17 0.20 -0.38 -0.55 8.40 7.50 1zr6A1 ALA 365 HA -0.06 0.13 0.53 -0.75 4.34 4.19 1zr6A1 ALA 365 HB3 -0.10 0.02 0.10 -0.04 1.41 1.38 1zr6A1 ALA 366 H -0.11 0.42 -0.63 -0.55 8.40 7.53 1zr6A1 ALA 366 HA -0.07 0.06 0.53 -0.75 4.34 4.10 1zr6A1 ALA 366 HB3 -0.10 0.02 0.08 -0.04 1.41 1.37 1zr6A1 VAL 367 H -0.06 0.35 -0.33 -0.55 8.24 7.65 1zr6A1 VAL 367 HA -0.03 0.06 0.80 -0.75 4.13 4.21 1zr6A1 VAL 367 HB -0.03 0.08 0.08 -0.04 2.12 2.21 1zr6A1 VAL 367 HG13 -0.02 0.02 -0.04 -0.04 0.97 0.90 1zr6A1 VAL 367 HG23 -0.09 0.01 -0.06 -0.04 0.95 0.78 1zr6A1 SER 368 H 0.01 0.08 0.13 -0.55 8.46 8.13 1zr6A1 SER 368 HA 0.02 0.23 0.58 -0.75 4.49 4.56 1zr6A1 SER 368 HB2 0.03 -0.02 0.13 -0.04 3.95 4.04 1zr6A1 SER 368 HB3 0.01 0.12 0.08 -0.04 3.93 4.10 1zr6A1 ASN 369 H 0.04 0.15 0.13 -0.55 8.53 8.30 1zr6A1 ASN 369 HA 0.06 0.23 0.43 -0.75 4.76 4.72 1zr6A1 ASN 369 HB2 0.04 -0.05 0.10 -0.04 2.88 2.93 1zr6A1 ASN 369 HB3 0.05 0.07 0.02 -0.04 2.79 2.89 1zr6A1 ASN 369 HD21 -0.01 -0.09 -0.08 -0.04 7.03 6.82 1zr6A1 ASN 369 HD22 0.01 0.02 0.01 -0.04 7.74 7.74 1zr6A1 ASP 370 H 0.09 -0.07 -0.40 -0.55 8.40 7.47 1zr6A1 ASP 370 HA 0.29 0.21 0.62 -0.75 4.63 5.00 1zr6A1 ASP 370 HB2 0.08 -0.04 -0.02 -0.04 2.71 2.69 1zr6A1 ASP 370 HB3 0.07 0.02 0.03 -0.04 2.70 2.78 1zr6A1 GLU 371 H 0.13 0.24 -0.24 -0.55 8.60 8.19 1zr6A1 GLU 371 HA 0.22 0.06 0.49 -0.75 4.29 4.30 1zr6A1 GLU 371 HB2 0.05 0.13 0.11 -0.04 2.09 2.35 1zr6A1 GLU 371 HB3 0.06 0.02 0.03 -0.04 1.99 2.06 1zr6A1 GLU 371 HG2 0.06 0.02 0.03 -0.04 2.34 2.41 1zr6A1 GLU 371 HG3 0.06 -0.13 0.03 -0.04 2.34 2.25 1zr6A1 THR 372 H 0.04 0.35 -0.13 -0.55 8.28 7.99 1zr6A1 THR 372 HA -0.49 0.13 0.70 -0.75 4.39 3.97 1zr6A1 THR 372 HB -0.31 0.12 0.24 -0.04 4.32 4.34 1zr6A1 THR 372 HG23 -0.08 -0.01 -0.20 -0.04 1.22 0.88 1zr6A1 ALA 373 H -0.98 0.47 0.20 -0.55 8.40 7.55 1zr6A1 ALA 373 HA -1.64 0.04 0.37 -0.75 4.34 2.37 1zr6A1 ALA 373 HB3 -0.78 -0.03 -0.19 -0.04 1.41 0.36 1zr6A1 TYR 374 H -0.12 0.14 -0.18 -0.55 8.29 7.58 1zr6A1 TYR 374 HA 0.04 0.04 0.43 -0.75 4.56 4.32 1zr6A1 TYR 374 HB2 -0.04 0.04 0.04 -0.04 3.06 3.05 1zr6A1 TYR 374 HB3 -0.05 0.02 -0.00 -0.04 2.98 2.90 1zr6A1 TYR 374 HD2 0.10 0.10 -0.08 -0.04 7.15 7.23 1zr6A1 TYR 374 HE2 0.28 0.06 -0.09 -0.04 6.85 7.05 1zr6A1 ALA 375 H -0.54 0.16 0.24 -0.55 8.40 7.72 1zr6A1 ALA 375 HA -0.15 0.24 0.95 -0.75 4.34 4.62 1zr6A1 ALA 375 HB3 -0.23 0.01 0.07 -0.04 1.41 1.22 1zr6A1 HIS 376 H -0.69 0.13 -0.16 -0.55 8.41 7.15 1zr6A1 HIS 376 HA -0.06 0.24 0.93 -0.75 4.63 4.98 1zr6A1 HIS 376 HB2 -0.20 -0.00 0.01 -0.04 3.26 3.04 1zr6A1 HIS 376 HB3 -0.08 -0.00 0.12 -0.04 3.20 3.19 1zr6A1 HIS 376 HD2 -0.71 -0.07 0.06 -0.04 6.97 6.21 1zr6A1 HIS 376 HE1 -0.09 0.16 0.10 -0.04 7.75 7.88 1zr6A1 ARG 377 H 0.07 0.20 -0.25 -0.55 8.46 7.93 1zr6A1 ARG 377 HA 0.17 0.11 0.24 -0.75 4.34 4.11 1zr6A1 ARG 377 HB2 0.06 -0.18 -0.07 -0.04 1.90 1.66 1zr6A1 ARG 377 HB3 0.04 0.31 0.09 -0.04 1.80 2.21 1zr6A1 ARG 377 HG2 0.20 -0.13 -0.18 -0.04 1.67 1.51 1zr6A1 ARG 377 HG3 0.08 0.05 -0.58 -0.04 1.67 1.19 1zr6A1 ARG 377 HD2 0.03 0.38 0.05 -0.04 3.22 3.64 1zr6A1 ARG 377 HD3 0.20 -0.16 -0.13 -0.04 3.22 3.08 1zr6A1 ASP 378 H 0.06 0.03 -0.48 -0.55 8.40 7.46 1zr6A1 ASP 378 HA 0.02 0.20 0.61 -0.75 4.63 4.70 1zr6A1 ASP 378 HB2 0.02 -0.02 0.09 -0.04 2.71 2.76 1zr6A1 ASP 378 HB3 0.02 -0.04 0.01 -0.04 2.70 2.65 1zr6A1 GLN 379 H 0.13 0.45 -0.42 -0.55 8.47 8.08 1zr6A1 GLN 379 HA 0.02 0.04 0.60 -0.75 4.36 4.26 1zr6A1 GLN 379 HB2 0.01 0.09 0.05 -0.04 2.15 2.27 1zr6A1 GLN 379 HB3 -0.01 -0.01 -0.02 -0.04 2.02 1.95 1zr6A1 GLN 379 HG2 0.12 -0.15 -0.09 -0.04 2.40 2.23 1zr6A1 GLN 379 HG3 0.16 -0.01 -0.06 -0.04 2.39 2.43 1zr6A1 GLN 379 HE21 0.08 0.47 -0.01 -0.04 6.97 7.47 1zr6A1 GLN 379 HE22 0.12 -0.11 -0.33 -0.04 7.69 7.33 1zr6A1 LEU 380 H -0.13 0.14 0.28 -0.55 8.37 8.11 1zr6A1 LEU 380 HA -0.24 -0.01 0.48 -0.75 4.35 3.82 1zr6A1 LEU 380 HB2 -0.38 -0.01 0.07 -0.04 1.64 1.28 1zr6A1 LEU 380 HB3 -0.66 0.03 -0.01 -0.04 1.64 0.96 1zr6A1 LEU 380 HG -2.24 0.01 -0.28 -0.04 1.64 -0.92 1zr6A1 LEU 380 HD13 -0.51 -0.02 -0.25 -0.04 0.93 0.10 1zr6A1 LEU 380 HD23 -0.70 -0.00 -0.05 -0.04 0.89 0.10 1zr6A1 TRP 381 H -0.12 0.57 0.13 -0.55 7.97 7.99 1zr6A1 TRP 381 HA -0.45 0.27 1.22 -0.75 4.62 4.90 1zr6A1 TRP 381 HB2 -0.80 -0.02 -0.05 -0.04 3.23 2.32 1zr6A1 TRP 381 HB3 -2.13 0.01 -0.05 -0.04 3.23 1.01 1zr6A1 TRP 381 HD1 0.08 0.19 -0.18 -0.04 7.22 7.27 1zr6A1 TRP 381 HE1 0.16 -0.13 -0.04 -0.04 10.20 10.15 1zr6A1 TRP 381 HE3 -0.46 0.29 -0.01 -0.04 7.59 7.37 1zr6A1 TRP 381 HZ2 0.08 -0.06 -0.03 -0.04 7.44 7.39 1zr6A1 TRP 381 HZ3 -1.86 -0.02 -0.18 -0.04 7.13 5.03 1zr6A1 TRP 381 HH2 -0.54 0.04 -0.21 -0.04 7.19 6.44 1zr6A1 LEU 382 H -0.50 0.47 0.36 -0.55 8.37 8.16 1zr6A1 LEU 382 HA -0.28 0.30 1.00 -0.75 4.35 4.61 1zr6A1 LEU 382 HB2 -0.75 0.06 -0.02 -0.04 1.64 0.89 1zr6A1 LEU 382 HB3 -0.44 -0.06 0.09 -0.04 1.64 1.19 1zr6A1 LEU 382 HG -0.16 -0.01 -0.31 -0.04 1.64 1.13 1zr6A1 LEU 382 HD13 -0.20 0.03 0.07 -0.04 0.93 0.79 1zr6A1 LEU 382 HD23 -0.90 -0.02 -0.09 -0.04 0.89 -0.16 1zr6A1 TRP 383 H 0.23 0.57 0.43 -0.55 7.97 8.65 1zr6A1 TRP 383 HA -0.19 0.34 1.22 -0.75 4.62 5.24 1zr6A1 TRP 383 HB2 -0.06 -0.06 0.04 -0.04 3.23 3.10 1zr6A1 TRP 383 HB3 -0.73 0.02 -0.05 -0.04 3.23 2.42 1zr6A1 TRP 383 HD1 -0.52 0.02 -0.10 -0.04 7.22 6.58 1zr6A1 TRP 383 HE1 -2.84 -0.01 -0.09 -0.04 10.20 7.22 1zr6A1 TRP 383 HE3 -0.18 0.13 -0.41 -0.04 7.59 7.09 1zr6A1 TRP 383 HZ2 -2.11 -0.01 -0.14 -0.04 7.44 5.15 1zr6A1 TRP 383 HZ3 -0.11 0.02 -0.42 -0.04 7.13 6.57 1zr6A1 TRP 383 HH2 -0.27 0.06 -0.18 -0.04 7.19 6.76 1zr6A1 GLN 384 H -0.00 0.47 0.41 -0.55 8.47 8.80 1zr6A1 GLN 384 HA 0.08 0.27 1.09 -0.75 4.36 5.04 1zr6A1 GLN 384 HB2 -0.54 -0.01 0.05 -0.04 2.15 1.61 1zr6A1 GLN 384 HB3 0.01 -0.08 0.19 -0.04 2.02 2.09 1zr6A1 GLN 384 HG2 -0.28 -0.03 -0.29 -0.04 2.40 1.77 1zr6A1 GLN 384 HG3 -0.23 0.12 0.09 -0.04 2.39 2.33 1zr6A1 GLN 384 HE21 0.08 -0.03 -0.05 -0.04 6.97 6.93 1zr6A1 GLN 384 HE22 0.05 -0.03 -0.04 -0.04 7.69 7.64 1zr6A1 PHE 385 H 0.16 0.77 0.37 -0.55 8.34 9.09 1zr6A1 PHE 385 HA -0.17 0.20 0.99 -0.75 4.62 4.88 1zr6A1 PHE 385 HB2 -0.20 -0.10 0.07 -0.04 3.15 2.87 1zr6A1 PHE 385 HB3 -0.27 0.01 -0.00 -0.04 3.06 2.75 1zr6A1 PHE 385 HD2 -0.29 0.03 -0.31 -0.04 7.28 6.67 1zr6A1 PHE 385 HE2 -0.27 0.02 -0.28 -0.04 7.38 6.82 1zr6A1 PHE 385 HZ -0.64 0.04 -0.18 -0.04 7.32 6.51 1zr6A1 TYR 386 H -0.31 0.62 0.36 -0.55 8.29 8.41 1zr6A1 TYR 386 HA -0.46 0.15 1.07 -0.75 4.56 4.58 1zr6A1 TYR 386 HB2 -2.23 -0.02 -0.14 -0.04 3.06 0.63 1zr6A1 TYR 386 HB3 -2.21 -0.05 0.11 -0.04 2.98 0.78 1zr6A1 TYR 386 HD2 -0.45 -0.00 -0.16 -0.04 7.15 6.49 1zr6A1 TYR 386 HE2 -0.60 -0.01 -0.10 -0.04 6.85 6.10 1zr6A1 ASP 387 H -0.32 0.61 0.29 -0.55 8.40 8.44 1zr6A1 ASP 387 HA 0.21 0.17 0.98 -0.75 4.63 5.24 1zr6A1 ASP 387 HB2 0.14 -0.07 0.05 -0.04 2.71 2.79 1zr6A1 ASP 387 HB3 0.12 -0.02 0.34 -0.04 2.70 3.10 1zr6A1 SER 388 H 0.10 0.74 0.40 -0.55 8.46 9.15 1zr6A1 SER 388 HA 0.03 0.17 1.12 -0.75 4.49 5.05 1zr6A1 SER 388 HB2 -0.14 0.01 0.07 -0.04 3.95 3.85 1zr6A1 SER 388 HB3 -0.07 0.03 -0.08 -0.04 3.93 3.77 1zr6A1 ILE 389 H 0.08 0.62 0.37 -0.55 8.25 8.77 1zr6A1 ILE 389 HA -0.03 0.18 0.99 -0.75 4.18 4.56 1zr6A1 ILE 389 HB 0.17 -0.03 0.25 -0.04 1.89 2.24 1zr6A1 ILE 389 HG12 0.15 -0.08 -0.13 -0.04 1.49 1.39 1zr6A1 ILE 389 HG13 0.23 0.05 -0.02 -0.04 1.21 1.43 1zr6A1 ILE 389 HG23 -0.01 -0.04 -0.06 -0.04 0.93 0.78 1zr6A1 ILE 389 HD13 0.17 0.04 -0.08 -0.04 0.88 0.97 1zr6A1 TYR 390 H -0.11 0.71 0.29 -0.55 8.29 8.64 1zr6A1 TYR 390 HA 0.19 0.07 0.61 -0.75 4.56 4.68 1zr6A1 TYR 390 HB2 0.07 0.01 0.12 -0.04 3.06 3.21 1zr6A1 TYR 390 HB3 0.07 -0.02 0.05 -0.04 2.98 3.04 1zr6A1 TYR 390 HD2 0.12 -0.04 -0.18 -0.04 7.15 7.01 1zr6A1 TYR 390 HE2 0.14 0.03 -0.19 -0.04 6.85 6.79 1zr6A1 ASP 391 H 0.12 0.33 0.08 -0.55 8.40 8.39 1zr6A1 ASP 391 HA -0.07 0.16 0.78 -0.75 4.63 4.75 1zr6A1 ASP 391 HB2 -0.02 -0.04 0.21 -0.04 2.71 2.81 1zr6A1 ASP 391 HB3 0.04 -0.01 0.10 -0.04 2.70 2.80 1zr6A1 TYR 392 H 0.05 0.33 -0.63 -0.55 8.29 7.49 1zr6A1 TYR 392 HA -0.23 0.25 0.12 -0.75 4.56 3.94 1zr6A1 TYR 392 HB2 -0.64 -0.02 -0.02 -0.04 3.06 2.34 1zr6A1 TYR 392 HB3 -0.18 0.15 0.06 -0.04 2.98 2.96 1zr6A1 TYR 392 HD2 0.01 0.16 -0.16 -0.04 7.15 7.11 1zr6A1 TYR 392 HE2 0.06 0.03 -0.04 -0.04 6.85 6.85 1zr6A1 GLU 393 H -0.63 0.10 -0.32 -0.55 8.60 7.20 1zr6A1 GLU 393 HA -0.07 0.11 0.38 -0.75 4.29 3.95 1zr6A1 GLU 393 HB2 -0.26 -0.03 -0.00 -0.04 2.09 1.76 1zr6A1 GLU 393 HB3 -0.13 0.02 0.02 -0.04 1.99 1.86 1zr6A1 GLU 393 HG2 -0.15 0.04 -0.03 -0.04 2.34 2.17 1zr6A1 GLU 393 HG3 -0.99 -0.03 -0.01 -0.04 2.34 1.27 1zr6A1 ASN 394 H -0.12 0.27 -0.35 -0.55 8.53 7.78 1zr6A1 ASN 394 HA -0.05 0.17 0.87 -0.75 4.76 5.00 1zr6A1 ASN 394 HB2 -0.06 -0.07 -0.01 -0.04 2.88 2.70 1zr6A1 ASN 394 HB3 -0.05 0.07 0.10 -0.04 2.79 2.87 1zr6A1 ASN 394 HD21 -0.02 -0.04 -0.04 -0.04 7.03 6.89 1zr6A1 ASN 394 HD22 -0.02 0.01 -0.06 -0.04 7.74 7.63 1zr6A1 ASN 395 H -0.07 0.62 0.13 -0.55 8.53 8.66 1zr6A1 ASN 395 HA -0.05 0.05 0.63 -0.75 4.76 4.64 1zr6A1 ASN 395 HB2 -0.03 0.10 -0.13 -0.04 2.88 2.78 1zr6A1 ASN 395 HB3 -0.03 -0.01 0.00 -0.04 2.79 2.72 1zr6A1 ASN 395 HD21 -0.02 -0.02 -0.07 -0.04 7.03 6.88 1zr6A1 ASN 395 HD22 -0.01 0.02 -0.06 -0.04 7.74 7.65 1zr6A1 THR 396 H -0.07 0.15 0.11 -0.55 8.28 7.92 1zr6A1 THR 396 HA -0.19 0.15 0.84 -0.75 4.39 4.44 1zr6A1 THR 396 HB -0.29 -0.09 -0.01 -0.04 4.32 3.89 1zr6A1 THR 396 HG23 -0.48 -0.00 -0.08 -0.04 1.22 0.61 1zr6A1 SER 397 H -0.03 -0.04 -0.04 -0.55 8.46 7.80 1zr6A1 SER 397 HA -0.03 0.08 0.24 -0.75 4.49 4.02 1zr6A1 SER 397 HB2 -0.03 0.00 0.00 -0.04 3.95 3.88 1zr6A1 SER 397 HB3 -0.05 0.00 -0.00 -0.04 3.93 3.84 1zr6A1 PRO 398 HA -0.11 0.01 0.32 -0.51 4.44 4.15 1zr6A1 PRO 398 HB2 -0.28 -0.13 -0.20 -0.04 2.28 1.64 1zr6A1 PRO 398 HB3 -0.16 0.02 0.03 -0.04 2.02 1.86 1zr6A1 PRO 398 HG2 -0.76 0.20 0.02 -0.04 2.03 1.45 1zr6A1 PRO 398 HG3 -0.29 -0.05 0.03 -0.04 2.03 1.68 1zr6A1 PRO 398 HD2 -0.07 0.15 0.35 -0.04 3.68 4.07 1zr6A1 PRO 398 HD3 -0.10 0.04 0.17 -0.04 3.65 3.71 1zr6A1 TYR 399 H -0.01 0.40 0.05 -0.55 8.29 8.18 1zr6A1 TYR 399 HA -0.10 0.04 0.44 -0.75 4.56 4.18 1zr6A1 TYR 399 HB2 0.15 0.18 0.06 -0.04 3.06 3.41 1zr6A1 TYR 399 HB3 0.07 -0.02 0.05 -0.04 2.98 3.03 1zr6A1 TYR 399 HD2 -0.31 0.11 -0.07 -0.04 7.15 6.84 1zr6A1 TYR 399 HE2 -1.05 -0.05 -0.13 -0.04 6.85 5.58 1zr6A1 PRO 400 HA 0.27 0.04 0.33 -0.51 4.44 4.57 1zr6A1 PRO 400 HB2 0.13 0.06 0.07 -0.04 2.28 2.49 1zr6A1 PRO 400 HB3 0.14 0.07 0.11 -0.04 2.02 2.30 1zr6A1 PRO 400 HG2 0.07 0.01 0.00 -0.04 2.03 2.08 1zr6A1 PRO 400 HG3 0.07 0.06 0.07 -0.04 2.03 2.19 1zr6A1 PRO 400 HD2 0.06 0.07 0.34 -0.04 3.68 4.11 1zr6A1 PRO 400 HD3 0.11 0.10 0.10 -0.04 3.65 3.93 1zr6A1 GLU 401 H 0.03 0.19 -0.07 -0.55 8.60 8.21 1zr6A1 GLU 401 HA 0.06 0.05 0.42 -0.75 4.29 4.06 1zr6A1 GLU 401 HB2 -0.04 0.12 0.17 -0.04 2.09 2.30 1zr6A1 GLU 401 HB3 -0.01 -0.05 0.02 -0.04 1.99 1.91 1zr6A1 GLU 401 HG2 -0.00 -0.02 0.02 -0.04 2.34 2.30 1zr6A1 GLU 401 HG3 0.02 -0.00 0.04 -0.04 2.34 2.35 1zr6A1 SER 402 H -0.17 0.62 0.02 -0.55 8.46 8.38 1zr6A1 SER 402 HA 0.02 0.16 0.70 -0.75 4.49 4.62 1zr6A1 SER 402 HB2 -0.08 -0.23 0.16 -0.04 3.95 3.76 1zr6A1 SER 402 HB3 -0.04 0.11 -0.14 -0.04 3.93 3.82 1zr6A1 GLY 403 H -0.21 0.09 0.10 -0.55 8.43 7.86 1zr6A1 GLY 403 HA2 -0.30 0.07 0.34 -0.51 4.01 3.61 1zr6A1 GLY 403 HA3 -1.06 0.30 0.80 -0.51 4.01 3.54 1zr6A1 PHE 404 H -0.51 0.22 -0.16 -0.55 8.34 7.34 1zr6A1 PHE 404 HA -0.22 0.10 0.33 -0.75 4.62 4.08 1zr6A1 PHE 404 HB2 -0.17 0.01 0.03 -0.04 3.15 2.98 1zr6A1 PHE 404 HB3 -0.36 0.01 0.02 -0.04 3.06 2.69 1zr6A1 PHE 404 HD2 -1.08 -0.06 -0.00 -0.04 7.28 6.10 1zr6A1 PHE 404 HE2 -0.17 0.16 -0.08 -0.04 7.38 7.26 1zr6A1 PHE 404 HZ 0.00 0.09 -0.03 -0.04 7.32 7.35 1zr6A1 GLU 405 H 0.06 0.02 -0.26 -0.55 8.60 7.88 1zr6A1 GLU 405 HA 0.07 0.06 0.32 -0.75 4.29 3.98 1zr6A1 GLU 405 HB2 0.04 0.07 0.05 -0.04 2.09 2.21 1zr6A1 GLU 405 HB3 0.04 0.00 0.07 -0.04 1.99 2.06 1zr6A1 GLU 405 HG2 0.06 0.11 -0.26 -0.04 2.34 2.21 1zr6A1 GLU 405 HG3 0.01 0.07 -0.05 -0.04 2.34 2.33 1zr6A1 PHE 406 H 0.20 0.39 -0.39 -0.55 8.34 7.98 1zr6A1 PHE 406 HA 0.05 0.13 0.43 -0.75 4.62 4.48 1zr6A1 PHE 406 HB2 -0.03 0.01 0.10 -0.04 3.15 3.19 1zr6A1 PHE 406 HB3 0.04 0.08 0.17 -0.04 3.06 3.30 1zr6A1 PHE 406 HD2 0.00 -0.00 0.01 -0.04 7.28 7.25 1zr6A1 PHE 406 HE2 -0.33 0.02 -0.09 -0.04 7.38 6.94 1zr6A1 PHE 406 HZ -1.87 0.00 -0.06 -0.04 7.32 5.35 1zr6A1 MET 407 H 0.09 0.22 -0.02 -0.55 8.47 8.21 1zr6A1 MET 407 HA -0.39 0.10 0.48 -0.75 4.52 3.96 1zr6A1 MET 407 HB2 0.13 0.06 0.01 -0.04 2.15 2.31 1zr6A1 MET 407 HB3 -0.24 -0.03 -0.09 -0.04 2.03 1.64 1zr6A1 MET 407 HG2 -0.21 0.02 -0.07 -0.04 2.63 2.32 1zr6A1 MET 407 HG3 -0.14 0.02 -0.19 -0.04 2.56 2.21 1zr6A1 MET 407 HE3 -0.13 0.01 -0.11 -0.04 2.10 1.84 1zr6A1 GLN 408 H 0.07 0.53 -0.18 -0.55 8.47 8.34 1zr6A1 GLN 408 HA -0.12 0.03 0.41 -0.75 4.36 3.92 1zr6A1 GLN 408 HB2 0.02 0.00 0.02 -0.04 2.15 2.16 1zr6A1 GLN 408 HB3 -0.03 -0.00 -0.03 -0.04 2.02 1.92 1zr6A1 GLN 408 HG2 0.08 -0.03 -0.02 -0.04 2.40 2.38 1zr6A1 GLN 408 HG3 0.19 0.18 0.00 -0.04 2.39 2.72 1zr6A1 GLN 408 HE21 -0.09 0.04 -0.06 -0.04 6.97 6.83 1zr6A1 GLN 408 HE22 0.01 -0.03 -0.06 -0.04 7.69 7.57 1zr6A1 GLY 409 H -0.04 0.53 -0.30 -0.55 8.43 8.07 1zr6A1 GLY 409 HA2 -0.15 -0.00 0.42 -0.51 4.01 3.77 1zr6A1 GLY 409 HA3 -0.06 0.14 0.30 -0.51 4.01 3.88 1zr6A1 PHE 410 H -0.39 0.33 -0.26 -0.55 8.34 7.48 1zr6A1 PHE 410 HA -1.28 0.04 0.36 -0.75 4.62 2.98 1zr6A1 PHE 410 HB2 -0.62 0.11 0.14 -0.04 3.15 2.74 1zr6A1 PHE 410 HB3 -0.51 -0.00 -0.03 -0.04 3.06 2.48 1zr6A1 PHE 410 HD2 -0.67 -0.03 -0.04 -0.04 7.28 6.50 1zr6A1 PHE 410 HE2 -1.36 0.04 -0.08 -0.04 7.38 5.94 1zr6A1 PHE 410 HZ -0.21 -0.01 -0.12 -0.04 7.32 6.93 1zr6A1 VAL 411 H -0.51 0.59 -0.20 -0.55 8.24 7.56 1zr6A1 VAL 411 HA -0.62 0.01 0.37 -0.75 4.13 3.13 1zr6A1 VAL 411 HB -0.38 0.13 0.16 -0.04 2.12 1.98 1zr6A1 VAL 411 HG13 -0.27 -0.02 -0.11 -0.04 0.97 0.53 1zr6A1 VAL 411 HG23 -1.05 0.02 -0.03 -0.04 0.95 -0.15 1zr6A1 ALA 412 H -0.27 0.52 -0.23 -0.55 8.40 7.88 1zr6A1 ALA 412 HA -0.15 -0.07 0.34 -0.75 4.34 3.71 1zr6A1 ALA 412 HB3 -0.13 0.05 0.08 -0.04 1.41 1.36 1zr6A1 THR 413 H -0.24 0.44 -0.41 -0.55 8.28 7.52 1zr6A1 THR 413 HA -0.06 -0.01 0.26 -0.75 4.39 3.83 1zr6A1 THR 413 HB 0.06 -0.17 -0.33 -0.04 4.32 3.84 1zr6A1 THR 413 HG23 -0.27 0.07 -0.01 -0.04 1.22 0.97 1zr6A1 ILE 414 H -0.15 0.35 -0.36 -0.55 8.25 7.54 1zr6A1 ILE 414 HA -0.07 0.06 0.81 -0.75 4.18 4.23 1zr6A1 ILE 414 HB -0.47 0.10 0.07 -0.04 1.89 1.54 1zr6A1 ILE 414 HG12 -0.17 -0.04 -0.16 -0.04 1.49 1.08 1zr6A1 ILE 414 HG13 -0.07 -0.00 -0.13 -0.04 1.21 0.96 1zr6A1 ILE 414 HG23 -0.36 -0.02 -0.20 -0.04 0.93 0.32 1zr6A1 ILE 414 HD13 -1.22 -0.01 -0.11 -0.04 0.88 -0.50 1zr6A1 GLU 415 H -0.19 0.60 0.15 -0.55 8.60 8.62 1zr6A1 GLU 415 HA -0.08 0.06 0.36 -0.75 4.29 3.87 1zr6A1 GLU 415 HB2 -0.15 0.04 0.06 -0.04 2.09 1.99 1zr6A1 GLU 415 HB3 -0.12 -0.04 -0.02 -0.04 1.99 1.78 1zr6A1 GLU 415 HG2 -0.06 0.02 -0.04 -0.04 2.34 2.22 1zr6A1 GLU 415 HG3 -0.07 0.01 0.08 -0.04 2.34 2.32 1zr6A1 ASP 416 H -0.08 0.56 -0.17 -0.55 8.40 8.17 1zr6A1 ASP 416 HA -0.03 0.03 0.34 -0.75 4.63 4.21 1zr6A1 ASP 416 HB2 -0.03 0.14 -0.03 -0.04 2.71 2.75 1zr6A1 ASP 416 HB3 -0.02 -0.07 0.00 -0.04 2.70 2.58 1zr6A1 THR 417 H -0.02 0.39 -0.58 -0.55 8.28 7.52 1zr6A1 THR 417 HA 0.01 0.09 0.59 -0.75 4.39 4.32 1zr6A1 THR 417 HB 0.03 -0.16 0.13 -0.04 4.32 4.29 1zr6A1 THR 417 HG23 0.02 -0.02 -0.08 -0.04 1.22 1.10 1zr6A1 LEU 418 H -0.01 0.50 -0.26 -0.55 8.37 8.05 1zr6A1 LEU 418 HA 0.03 0.13 0.83 -0.75 4.35 4.59 1zr6A1 LEU 418 HB2 0.01 0.05 -0.02 -0.04 1.64 1.64 1zr6A1 LEU 418 HB3 0.03 -0.02 0.00 -0.04 1.64 1.61 1zr6A1 LEU 418 HG -0.00 0.10 0.01 -0.04 1.64 1.70 1zr6A1 LEU 418 HD13 0.02 -0.00 -0.01 -0.04 0.93 0.90 1zr6A1 LEU 418 HD23 0.07 -0.03 -0.11 -0.04 0.89 0.78 1zr6A1 PRO 419 HA 0.01 0.07 0.47 -0.51 4.44 4.49 1zr6A1 PRO 419 HB2 0.02 -0.09 0.05 -0.04 2.28 2.21 1zr6A1 PRO 419 HB3 0.02 0.02 0.13 -0.04 2.02 2.15 1zr6A1 PRO 419 HG2 0.03 0.04 0.10 -0.04 2.03 2.15 1zr6A1 PRO 419 HG3 0.02 0.07 0.09 -0.04 2.03 2.18 1zr6A1 PRO 419 HD2 0.03 0.07 0.21 -0.04 3.68 3.95 1zr6A1 PRO 419 HD3 0.03 0.22 0.27 -0.04 3.65 4.12 1zr6A1 GLU 420 H 0.01 0.12 0.18 -0.55 8.60 8.37 1zr6A1 GLU 420 HA 0.00 0.15 0.36 -0.75 4.29 4.05 1zr6A1 GLU 420 HB2 0.01 -0.07 0.17 -0.04 2.09 2.15 1zr6A1 GLU 420 HB3 0.01 0.04 -0.01 -0.04 1.99 1.99 1zr6A1 GLU 420 HG2 0.00 0.02 0.11 -0.04 2.34 2.43 1zr6A1 GLU 420 HG3 0.00 -0.01 0.06 -0.04 2.34 2.35 1zr6A1 ASP 421 H 0.02 0.02 -0.20 -0.55 8.40 7.69 1zr6A1 ASP 421 HA 0.02 0.13 0.42 -0.75 4.63 4.44 1zr6A1 ASP 421 HB2 0.02 0.03 0.10 -0.04 2.71 2.82 1zr6A1 ASP 421 HB3 0.02 -0.04 0.08 -0.04 2.70 2.71 1zr6A1 ARG 422 H 0.02 0.42 -0.42 -0.55 8.46 7.93 1zr6A1 ARG 422 HA 0.04 0.15 0.75 -0.75 4.34 4.52 1zr6A1 ARG 422 HB2 0.04 0.09 0.06 -0.04 1.90 2.05 1zr6A1 ARG 422 HB3 0.05 -0.05 0.15 -0.04 1.80 1.91 1zr6A1 ARG 422 HG2 0.03 -0.11 -0.05 -0.04 1.67 1.50 1zr6A1 ARG 422 HG3 0.03 -0.02 0.04 -0.04 1.67 1.69 1zr6A1 ARG 422 HD2 0.03 0.11 -0.26 -0.04 3.22 3.07 1zr6A1 ARG 422 HD3 0.02 -0.04 -0.07 -0.04 3.22 3.09 1zr6A1 LYS 423 H 0.02 0.33 -0.23 -0.55 8.42 7.98 1zr6A1 LYS 423 HA 0.01 0.05 0.67 -0.75 4.32 4.31 1zr6A1 LYS 423 HB2 -0.01 0.08 0.17 -0.04 1.87 2.07 1zr6A1 LYS 423 HB3 -0.03 -0.08 0.03 -0.04 1.79 1.68 1zr6A1 LYS 423 HG2 -0.01 0.02 0.01 -0.04 1.46 1.43 1zr6A1 LYS 423 HG3 -0.00 0.10 -0.08 -0.04 1.46 1.44 1zr6A1 LYS 423 HD2 -0.02 -0.06 0.03 -0.04 1.69 1.60 1zr6A1 LYS 423 HD3 -0.03 -0.09 -0.03 -0.04 1.68 1.48 1zr6A1 LYS 423 HE2 -0.02 0.30 -0.03 -0.04 2.99 3.20 1zr6A1 LYS 423 HE3 -0.01 0.00 -0.17 -0.04 2.99 2.77 1zr6A1 GLY 424 H 0.02 0.28 0.39 -0.55 8.43 8.57 1zr6A1 GLY 424 HA2 0.04 0.24 0.94 -0.51 4.01 4.72 1zr6A1 GLY 424 HA3 0.13 0.04 0.34 -0.51 4.01 4.01 1zr6A1 LYS 425 H 0.02 0.75 0.13 -0.55 8.42 8.77 1zr6A1 LYS 425 HA 0.04 0.03 0.44 -0.75 4.32 4.08 1zr6A1 LYS 425 HB2 -0.23 -0.02 -0.21 -0.04 1.87 1.36 1zr6A1 LYS 425 HB3 0.20 -0.04 -0.11 -0.04 1.79 1.81 1zr6A1 LYS 425 HG2 -0.01 0.27 0.02 -0.04 1.46 1.70 1zr6A1 LYS 425 HG3 -0.11 -0.03 -0.31 -0.04 1.46 0.97 1zr6A1 LYS 425 HD2 -0.17 -0.06 -0.04 -0.04 1.69 1.38 1zr6A1 LYS 425 HD3 0.04 -0.09 0.06 -0.04 1.68 1.65 1zr6A1 LYS 425 HE2 -0.10 -0.01 -0.03 -0.04 2.99 2.80 1zr6A1 LYS 425 HE3 -0.05 -0.10 0.03 -0.04 2.99 2.84 1zr6A1 TYR 426 H 0.25 0.17 0.01 -0.55 8.29 8.16 1zr6A1 TYR 426 HA -0.08 0.24 0.81 -0.75 4.56 4.78 1zr6A1 TYR 426 HB2 -0.15 0.10 -0.01 -0.04 3.06 2.96 1zr6A1 TYR 426 HB3 -0.00 0.01 0.16 -0.04 2.98 3.10 1zr6A1 TYR 426 HD2 -0.40 0.11 0.03 -0.04 7.15 6.85 1zr6A1 TYR 426 HE2 -0.37 0.16 -0.03 -0.04 6.85 6.56 1zr6A1 PHE 427 H -0.09 0.38 0.14 -0.55 8.34 8.21 1zr6A1 PHE 427 HA -1.30 0.05 0.20 -0.75 4.62 2.82 1zr6A1 PHE 427 HB2 -0.91 0.15 0.08 -0.04 3.15 2.43 1zr6A1 PHE 427 HB3 -0.30 0.05 0.09 -0.04 3.06 2.86 1zr6A1 PHE 427 HD2 -0.68 0.04 -0.09 -0.04 7.28 6.52 1zr6A1 PHE 427 HE2 -0.22 -0.01 -0.08 -0.04 7.38 7.02 1zr6A1 PHE 427 HZ -0.23 -0.04 -0.05 -0.04 7.32 6.96 1zr6A1 ASN 428 H -1.14 0.15 -0.30 -0.55 8.53 6.69 1zr6A1 ASN 428 HA -0.59 0.03 0.40 -0.75 4.76 3.84 1zr6A1 ASN 428 HB2 -1.82 0.02 -0.02 -0.04 2.88 1.02 1zr6A1 ASN 428 HB3 -0.51 -0.02 0.01 -0.04 2.79 2.23 1zr6A1 ASN 428 HD21 -0.08 0.34 -0.00 -0.04 7.03 7.24 1zr6A1 ASN 428 HD22 -0.09 -0.18 -0.05 -0.04 7.74 7.39 1zr6A1 TYR 429 H -0.41 0.53 -0.55 -0.55 8.29 7.32 1zr6A1 TYR 429 HA -0.25 0.10 0.76 -0.75 4.56 4.42 1zr6A1 TYR 429 HB2 0.19 0.01 0.18 -0.04 3.06 3.40 1zr6A1 TYR 429 HB3 0.27 0.06 0.11 -0.04 2.98 3.39 1zr6A1 TYR 429 HD2 0.10 0.15 -0.04 -0.04 7.15 7.32 1zr6A1 TYR 429 HE2 0.17 -0.01 -0.09 -0.04 6.85 6.88 1zr6A1 ALA 430 H -0.12 0.03 -0.24 -0.55 8.40 7.52 1zr6A1 ALA 430 HA 0.21 0.10 0.32 -0.75 4.34 4.21 1zr6A1 ALA 430 HB3 0.11 0.01 -0.04 -0.04 1.41 1.45 1zr6A1 ASP 431 H 0.37 0.19 0.09 -0.55 8.40 8.50 1zr6A1 ASP 431 HA 0.13 0.33 0.83 -0.75 4.63 5.17 1zr6A1 ASP 431 HB2 0.09 0.00 0.17 -0.04 2.71 2.93 1zr6A1 ASP 431 HB3 0.11 0.00 0.22 -0.04 2.70 2.99 1zr6A1 THR 432 H 0.25 0.26 0.10 -0.55 8.28 8.34 1zr6A1 THR 432 HA 0.21 0.10 0.36 -0.75 4.39 4.32 1zr6A1 THR 432 HB 0.09 0.09 0.13 -0.04 4.32 4.59 1zr6A1 THR 432 HG23 0.06 0.01 -0.00 -0.04 1.22 1.25 1zr6A1 THR 433 H 0.15 -0.00 -0.36 -0.55 8.28 7.51 1zr6A1 THR 433 HA -0.15 0.21 0.57 -0.75 4.39 4.26 1zr6A1 THR 433 HB -0.22 0.02 0.09 -0.04 4.32 4.17 1zr6A1 THR 433 HG23 -0.50 -0.01 -0.01 -0.04 1.22 0.65 1zr6A1 LEU 434 H 0.07 0.24 -0.30 -0.55 8.37 7.83 1zr6A1 LEU 434 HA -0.01 0.02 0.50 -0.75 4.35 4.11 1zr6A1 LEU 434 HB2 0.05 0.08 0.03 -0.04 1.64 1.76 1zr6A1 LEU 434 HB3 -0.04 -0.06 0.04 -0.04 1.64 1.54 1zr6A1 LEU 434 HG 0.02 -0.04 0.04 -0.04 1.64 1.62 1zr6A1 LEU 434 HD13 -0.21 -0.00 -0.01 -0.04 0.93 0.66 1zr6A1 LEU 434 HD23 -0.06 -0.00 -0.07 -0.04 0.89 0.71 1zr6A1 THR 435 H -0.01 0.01 0.20 -0.55 8.28 7.93 1zr6A1 THR 435 HA 0.03 0.27 0.64 -0.75 4.39 4.57 1zr6A1 THR 435 HB 0.02 0.01 0.19 -0.04 4.32 4.49 1zr6A1 THR 435 HG23 -0.01 0.05 0.08 -0.04 1.22 1.30 1zr6A1 LYS 436 H 0.04 0.21 0.20 -0.55 8.42 8.33 1zr6A1 LYS 436 HA 0.10 0.12 0.47 -0.75 4.32 4.25 1zr6A1 LYS 436 HB2 0.06 0.29 0.15 -0.04 1.87 2.33 1zr6A1 LYS 436 HB3 0.05 -0.10 0.12 -0.04 1.79 1.81 1zr6A1 LYS 436 HG2 0.06 -0.07 -0.26 -0.04 1.46 1.15 1zr6A1 LYS 436 HG3 0.08 0.02 -0.19 -0.04 1.46 1.34 1zr6A1 LYS 436 HD2 0.04 -0.06 -0.06 -0.04 1.69 1.57 1zr6A1 LYS 436 HD3 0.03 0.01 -0.11 -0.04 1.68 1.57 1zr6A1 LYS 436 HE2 0.06 0.04 -0.30 -0.04 2.99 2.75 1zr6A1 LYS 436 HE3 0.04 -0.01 -0.08 -0.04 2.99 2.89 1zr6A1 GLU 437 H 0.03 0.06 -0.12 -0.55 8.60 8.03 1zr6A1 GLU 437 HA 0.05 0.15 0.42 -0.75 4.29 4.16 1zr6A1 GLU 437 HB2 0.02 0.05 -0.02 -0.04 2.09 2.10 1zr6A1 GLU 437 HB3 0.03 0.06 0.07 -0.04 1.99 2.10 1zr6A1 GLU 437 HG2 0.01 -0.30 0.06 -0.04 2.34 2.07 1zr6A1 GLU 437 HG3 0.01 0.07 -0.01 -0.04 2.34 2.37 1zr6A1 GLU 438 H 0.01 0.02 -0.20 -0.55 8.60 7.88 1zr6A1 GLU 438 HA -0.02 0.09 0.39 -0.75 4.29 4.00 1zr6A1 GLU 438 HB2 -0.04 -0.03 0.13 -0.04 2.09 2.12 1zr6A1 GLU 438 HB3 -0.06 0.05 0.02 -0.04 1.99 1.96 1zr6A1 GLU 438 HG2 -0.02 0.07 0.03 -0.04 2.34 2.38 1zr6A1 GLU 438 HG3 -0.01 -0.08 0.09 -0.04 2.34 2.29 1zr6A1 ALA 439 H -0.01 0.66 -0.14 -0.55 8.40 8.36 1zr6A1 ALA 439 HA -0.41 -0.05 0.36 -0.75 4.34 3.48 1zr6A1 ALA 439 HB3 0.12 0.03 0.04 -0.04 1.41 1.56 1zr6A1 GLN 440 H 0.13 0.53 -0.22 -0.55 8.47 8.36 1zr6A1 GLN 440 HA 0.66 0.03 0.36 -0.75 4.36 4.66 1zr6A1 GLN 440 HB2 0.16 0.09 0.13 -0.04 2.15 2.49 1zr6A1 GLN 440 HB3 0.28 -0.08 -0.03 -0.04 2.02 2.14 1zr6A1 GLN 440 HG2 0.34 -0.09 -0.15 -0.04 2.40 2.46 1zr6A1 GLN 440 HG3 0.25 0.23 -0.03 -0.04 2.39 2.80 1zr6A1 GLN 440 HE21 0.05 -0.09 -0.11 -0.04 6.97 6.79 1zr6A1 GLN 440 HE22 0.09 0.18 -0.32 -0.04 7.69 7.59 1zr6A1 LYS 441 H 0.06 0.39 -0.20 -0.55 8.42 8.11 1zr6A1 LYS 441 HA 0.10 0.03 0.46 -0.75 4.32 4.16 1zr6A1 LYS 441 HB2 0.00 0.07 0.16 -0.04 1.87 2.06 1zr6A1 LYS 441 HB3 0.02 -0.00 0.05 -0.04 1.79 1.82 1zr6A1 LYS 441 HG2 0.07 -0.05 0.02 -0.04 1.46 1.46 1zr6A1 LYS 441 HG3 0.05 0.21 0.10 -0.04 1.46 1.77 1zr6A1 LYS 441 HD2 0.03 -0.01 -0.00 -0.04 1.69 1.67 1zr6A1 LYS 441 HD3 0.03 -0.04 -0.02 -0.04 1.68 1.61 1zr6A1 LYS 441 HE2 0.01 -0.03 -0.09 -0.04 2.99 2.85 1zr6A1 LYS 441 HE3 0.00 0.05 0.00 -0.04 2.99 3.00 1zr6A1 LEU 442 H -0.13 0.49 -0.07 -0.55 8.37 8.12 1zr6A1 LEU 442 HA -0.05 0.26 0.56 -0.75 4.35 4.36 1zr6A1 LEU 442 HB2 -0.41 0.03 0.09 -0.04 1.64 1.31 1zr6A1 LEU 442 HB3 -0.22 -0.13 -0.13 -0.04 1.64 1.12 1zr6A1 LEU 442 HG -0.10 0.05 0.01 -0.04 1.64 1.55 1zr6A1 LEU 442 HD13 -0.15 -0.04 -0.12 -0.04 0.93 0.59 1zr6A1 LEU 442 HD23 -0.06 0.06 -0.21 -0.04 0.89 0.64 1zr6A1 TYR 443 H -0.38 0.72 0.01 -0.55 8.29 8.09 1zr6A1 TYR 443 HA -0.28 0.21 0.55 -0.75 4.56 4.28 1zr6A1 TYR 443 HB2 -1.78 0.14 0.08 -0.04 3.06 1.45 1zr6A1 TYR 443 HB3 -1.88 -0.08 0.02 -0.04 2.98 1.00 1zr6A1 TYR 443 HD2 -0.30 0.11 -0.38 -0.04 7.15 6.54 1zr6A1 TYR 443 HE2 0.07 0.01 -0.25 -0.04 6.85 6.64 1zr6A1 TRP 444 H 0.01 0.44 -0.12 -0.55 7.97 7.76 1zr6A1 TRP 444 HA -0.08 0.20 1.03 -0.75 4.62 5.02 1zr6A1 TRP 444 HB2 0.05 0.10 0.06 -0.04 3.23 3.39 1zr6A1 TRP 444 HB3 0.01 -0.08 -0.00 -0.04 3.23 3.11 1zr6A1 TRP 444 HD1 -0.08 0.07 -0.04 -0.04 7.22 7.13 1zr6A1 TRP 444 HE1 -0.06 0.35 0.08 -0.04 10.20 10.52 1zr6A1 TRP 444 HE3 0.08 0.08 0.10 -0.04 7.59 7.81 1zr6A1 TRP 444 HZ2 -0.78 -0.14 -0.18 -0.04 7.44 6.29 1zr6A1 TRP 444 HZ3 0.05 0.14 -0.08 -0.04 7.13 7.20 1zr6A1 TRP 444 HH2 -0.56 -0.11 -0.08 -0.04 7.19 6.40 1zr6A1 ARG 445 H 0.04 0.35 -0.08 -0.55 8.46 8.21 1zr6A1 ARG 445 HA 0.05 0.16 0.51 -0.75 4.34 4.31 1zr6A1 ARG 445 HB2 -0.12 -0.02 -0.03 -0.04 1.90 1.70 1zr6A1 ARG 445 HB3 -0.01 -0.03 0.24 -0.04 1.80 1.96 1zr6A1 ARG 445 HG2 0.02 0.12 0.14 -0.04 1.67 1.91 1zr6A1 ARG 445 HG3 0.01 0.07 0.07 -0.04 1.67 1.78 1zr6A1 ARG 445 HD2 0.13 -0.01 -0.21 -0.04 3.22 3.09 1zr6A1 ARG 445 HD3 -0.11 -0.06 -0.08 -0.04 3.22 2.93 1zr6A1 GLY 446 H -0.00 0.21 0.24 -0.55 8.43 8.33 1zr6A1 GLY 446 HA2 0.06 0.01 0.46 -0.51 4.01 4.03 1zr6A1 GLY 446 HA3 0.04 0.02 0.42 -0.51 4.01 3.98 1zr6A1 ASN 447 H 0.11 0.69 -0.10 -0.55 8.53 8.68 1zr6A1 ASN 447 HA 0.23 0.10 0.88 -0.75 4.76 5.21 1zr6A1 ASN 447 HB2 0.13 0.20 0.12 -0.04 2.88 3.29 1zr6A1 ASN 447 HB3 0.30 -0.12 0.13 -0.04 2.79 3.06 1zr6A1 ASN 447 HD21 0.07 0.49 0.04 -0.04 7.03 7.58 1zr6A1 ASN 447 HD22 -0.07 0.27 -0.31 -0.04 7.74 7.59 1zr6A1 LEU 448 H 0.17 0.51 -0.26 -0.55 8.37 8.25 1zr6A1 LEU 448 HA 0.18 0.06 0.33 -0.75 4.35 4.16 1zr6A1 LEU 448 HB2 0.25 0.10 -0.07 -0.04 1.64 1.88 1zr6A1 LEU 448 HB3 0.15 0.03 0.05 -0.04 1.64 1.83 1zr6A1 LEU 448 HG 0.13 -0.04 -0.32 -0.04 1.64 1.37 1zr6A1 LEU 448 HD13 0.20 -0.00 0.01 -0.04 0.93 1.10 1zr6A1 LEU 448 HD23 0.15 0.01 -0.24 -0.04 0.89 0.76 1zr6A1 GLU 449 H 0.12 0.21 -0.14 -0.55 8.60 8.24 1zr6A1 GLU 449 HA 0.13 0.09 0.37 -0.75 4.29 4.13 1zr6A1 GLU 449 HB2 0.09 0.03 0.05 -0.04 2.09 2.22 1zr6A1 GLU 449 HB3 0.21 0.00 -0.01 -0.04 1.99 2.14 1zr6A1 GLU 449 HG2 0.15 0.02 -0.00 -0.04 2.34 2.46 1zr6A1 GLU 449 HG3 0.12 0.02 0.03 -0.04 2.34 2.47 1zr6A1 LYS 450 H 0.09 0.19 -0.28 -0.55 8.42 7.86 1zr6A1 LYS 450 HA -0.05 0.01 0.42 -0.75 4.32 3.95 1zr6A1 LYS 450 HB2 -0.08 -0.01 0.09 -0.04 1.87 1.82 1zr6A1 LYS 450 HB3 0.15 0.19 0.08 -0.04 1.79 2.16 1zr6A1 LYS 450 HG2 -0.42 -0.02 -0.14 -0.04 1.46 0.84 1zr6A1 LYS 450 HG3 -0.31 -0.07 0.03 -0.04 1.46 1.08 1zr6A1 LYS 450 HD2 -0.45 -0.01 -0.00 -0.04 1.69 1.19 1zr6A1 LYS 450 HD3 -1.63 0.11 -0.05 -0.04 1.68 0.07 1zr6A1 LYS 450 HE2 -0.54 -0.07 -0.02 -0.04 2.99 2.32 1zr6A1 LYS 450 HE3 -0.93 0.07 -0.03 -0.04 2.99 2.06 1zr6A1 LEU 451 H 0.21 0.58 -0.12 -0.55 8.37 8.50 1zr6A1 LEU 451 HA 0.26 -0.02 0.41 -0.75 4.35 4.24 1zr6A1 LEU 451 HB2 0.06 0.11 0.17 -0.04 1.64 1.94 1zr6A1 LEU 451 HB3 0.07 -0.05 -0.01 -0.04 1.64 1.61 1zr6A1 LEU 451 HG 0.24 0.09 0.03 -0.04 1.64 1.95 1zr6A1 LEU 451 HD13 -0.37 0.01 -0.10 -0.04 0.93 0.43 1zr6A1 LEU 451 HD23 -0.26 -0.02 0.00 -0.04 0.89 0.58 1zr6A1 GLN 452 H 0.10 0.62 -0.13 -0.55 8.47 8.51 1zr6A1 GLN 452 HA 0.04 0.13 0.45 -0.75 4.36 4.22 1zr6A1 GLN 452 HB2 0.09 0.10 0.16 -0.04 2.15 2.46 1zr6A1 GLN 452 HB3 0.05 -0.07 0.13 -0.04 2.02 2.09 1zr6A1 GLN 452 HG2 0.02 -0.07 0.08 -0.04 2.40 2.39 1zr6A1 GLN 452 HG3 0.07 0.27 0.07 -0.04 2.39 2.76 1zr6A1 GLN 452 HE21 0.06 -0.03 -0.06 -0.04 6.97 6.90 1zr6A1 GLN 452 HE22 0.05 -0.08 -0.01 -0.04 7.69 7.62 1zr6A1 ALA 453 H 0.09 0.41 -0.24 -0.55 8.40 8.12 1zr6A1 ALA 453 HA 0.07 0.05 0.39 -0.75 4.34 4.10 1zr6A1 ALA 453 HB3 0.05 0.02 0.13 -0.04 1.41 1.56 1zr6A1 ILE 454 H 0.14 0.56 -0.14 -0.55 8.25 8.26 1zr6A1 ILE 454 HA 0.18 -0.03 0.41 -0.75 4.18 3.99 1zr6A1 ILE 454 HB 0.26 0.16 0.10 -0.04 1.89 2.37 1zr6A1 ILE 454 HG12 0.09 -0.15 -0.05 -0.04 1.49 1.35 1zr6A1 ILE 454 HG13 0.06 0.20 0.05 -0.04 1.21 1.48 1zr6A1 ILE 454 HG23 0.29 -0.02 -0.23 -0.04 0.93 0.93 1zr6A1 ILE 454 HD13 0.11 0.05 -0.08 -0.04 0.88 0.91 1zr6A1 LYS 455 H 0.25 0.65 -0.23 -0.55 8.42 8.53 1zr6A1 LYS 455 HA 0.13 -0.02 0.34 -0.75 4.32 4.01 1zr6A1 LYS 455 HB2 -0.25 0.01 -0.10 -0.04 1.87 1.50 1zr6A1 LYS 455 HB3 -0.01 0.17 -0.03 -0.04 1.79 1.87 1zr6A1 LYS 455 HG2 -0.21 0.04 -0.70 -0.04 1.46 0.56 1zr6A1 LYS 455 HG3 -0.11 -0.05 -0.48 -0.04 1.46 0.78 1zr6A1 LYS 455 HD2 -0.26 -0.15 0.00 -0.04 1.69 1.25 1zr6A1 LYS 455 HD3 -0.79 0.00 -0.17 -0.04 1.68 0.68 1zr6A1 LYS 455 HE2 -0.20 0.01 0.01 -0.04 2.99 2.78 1zr6A1 LYS 455 HE3 -0.23 0.22 0.01 -0.04 2.99 2.96 1zr6A1 ALA 456 H 0.06 0.50 -0.35 -0.55 8.40 8.07 1zr6A1 ALA 456 HA -0.01 0.04 0.25 -0.75 4.34 3.87 1zr6A1 ALA 456 HB3 0.01 0.01 -0.11 -0.04 1.41 1.28 1zr6A1 LYS 457 H 0.04 0.30 -0.48 -0.55 8.42 7.73 1zr6A1 LYS 457 HA -0.11 0.06 0.54 -0.75 4.32 4.05 1zr6A1 LYS 457 HB2 -0.09 -0.01 0.07 -0.04 1.87 1.81 1zr6A1 LYS 457 HB3 -0.07 0.11 0.16 -0.04 1.79 1.95 1zr6A1 LYS 457 HG2 -0.93 -0.00 -0.27 -0.04 1.46 0.21 1zr6A1 LYS 457 HG3 -0.29 -0.02 0.01 -0.04 1.46 1.12 1zr6A1 LYS 457 HD2 -0.12 0.00 -0.01 -0.04 1.69 1.52 1zr6A1 LYS 457 HD3 -0.13 -0.03 -0.02 -0.04 1.68 1.46 1zr6A1 LYS 457 HE2 -0.54 -0.02 -0.04 -0.04 2.99 2.35 1zr6A1 LYS 457 HE3 -0.21 0.02 -0.02 -0.04 2.99 2.74 1zr6A1 TYR 458 H 0.18 0.51 -0.03 -0.55 8.29 8.39 1zr6A1 TYR 458 HA 0.03 0.10 0.79 -0.75 4.56 4.72 1zr6A1 TYR 458 HB2 0.15 0.12 0.10 -0.04 3.06 3.39 1zr6A1 TYR 458 HB3 0.11 -0.02 0.08 -0.04 2.98 3.11 1zr6A1 TYR 458 HD2 0.09 0.13 0.02 -0.04 7.15 7.35 1zr6A1 TYR 458 HE2 0.05 -0.05 -0.05 -0.04 6.85 6.75 1zr6A1 ASP 459 H 0.06 0.75 -0.10 -0.55 8.40 8.56 1zr6A1 ASP 459 HA -0.07 0.02 0.72 -0.75 4.63 4.54 1zr6A1 ASP 459 HB2 0.00 0.09 -0.05 -0.04 2.71 2.71 1zr6A1 ASP 459 HB3 -0.07 0.14 0.19 -0.04 2.70 2.93 1zr6A1 PRO 460 HA -0.04 0.08 0.48 -0.51 4.44 4.45 1zr6A1 PRO 460 HB2 -0.04 -0.03 0.01 -0.04 2.28 2.18 1zr6A1 PRO 460 HB3 -0.04 0.29 0.18 -0.04 2.02 2.40 1zr6A1 PRO 460 HG2 -0.06 -0.08 0.01 -0.04 2.03 1.86 1zr6A1 PRO 460 HG3 -0.05 0.05 0.01 -0.04 2.03 2.00 1zr6A1 PRO 460 HD2 -0.05 0.05 -0.19 -0.04 3.68 3.45 1zr6A1 PRO 460 HD3 -0.04 0.29 -0.36 -0.04 3.65 3.50 1zr6A1 GLU 461 H -0.08 0.04 -0.31 -0.55 8.60 7.70 1zr6A1 GLU 461 HA -0.05 0.23 0.72 -0.75 4.29 4.43 1zr6A1 GLU 461 HB2 -0.09 -0.05 -0.01 -0.04 2.09 1.89 1zr6A1 GLU 461 HB3 -0.06 0.06 0.10 -0.04 1.99 2.05 1zr6A1 GLU 461 HG2 -0.05 0.05 -0.09 -0.04 2.34 2.21 1zr6A1 GLU 461 HG3 -0.06 -0.06 -0.07 -0.04 2.34 2.11 1zr6A1 ASP 462 H -0.09 0.51 -0.38 -0.55 8.40 7.89 1zr6A1 ASP 462 HA -0.10 0.06 0.33 -0.75 4.63 4.17 1zr6A1 ASP 462 HB2 -0.06 0.07 -0.06 -0.04 2.71 2.61 1zr6A1 ASP 462 HB3 -0.05 0.13 -0.05 -0.04 2.70 2.69 1zr6A1 VAL 463 H -0.21 0.00 -0.21 -0.55 8.24 7.28 1zr6A1 VAL 463 HA -0.12 0.20 0.42 -0.75 4.13 3.88 1zr6A1 VAL 463 HB -0.64 -0.11 0.10 -0.04 2.12 1.42 1zr6A1 VAL 463 HG13 -0.16 0.04 -0.02 -0.04 0.97 0.80 1zr6A1 VAL 463 HG23 -0.18 0.02 -0.04 -0.04 0.95 0.70 1zr6A1 PHE 464 H -0.14 0.05 -0.14 -0.55 8.34 7.56 1zr6A1 PHE 464 HA 0.02 0.40 0.86 -0.75 4.62 5.14 1zr6A1 PHE 464 HB2 -0.04 0.23 -0.06 -0.04 3.15 3.24 1zr6A1 PHE 464 HB3 0.01 -0.15 0.10 -0.04 3.06 2.99 1zr6A1 PHE 464 HD2 0.02 0.19 -0.34 -0.04 7.28 7.10 1zr6A1 PHE 464 HE2 0.03 -0.01 -0.15 -0.04 7.38 7.21 1zr6A1 PHE 464 HZ 0.02 0.10 -0.44 -0.04 7.32 6.96 1zr6A1 GLY 465 H 0.04 0.23 -0.47 -0.55 8.43 7.69 1zr6A1 GLY 465 HA2 0.01 -0.03 0.32 -0.51 4.01 3.80 1zr6A1 GLY 465 HA3 0.02 0.10 0.26 -0.51 4.01 3.89 1zr6A1 ASN 466 H 0.04 0.02 0.16 -0.55 8.53 8.20 1zr6A1 ASN 466 HA 0.19 0.35 0.80 -0.75 4.76 5.35 1zr6A1 ASN 466 HB2 0.18 0.04 0.00 -0.04 2.88 3.06 1zr6A1 ASN 466 HB3 0.15 0.08 -0.01 -0.04 2.79 2.97 1zr6A1 ASN 466 HD21 -0.04 -0.05 -0.06 -0.04 7.03 6.84 1zr6A1 ASN 466 HD22 0.11 0.08 -0.05 -0.04 7.74 7.84 1zr6A1 VAL 467 H 0.12 0.39 0.14 -0.55 8.24 8.35 1zr6A1 VAL 467 HA 0.08 0.14 0.36 -0.75 4.13 3.96 1zr6A1 VAL 467 HB 0.09 -0.02 0.14 -0.04 2.12 2.29 1zr6A1 VAL 467 HG13 0.03 0.07 -0.04 -0.04 0.97 0.98 1zr6A1 VAL 467 HG23 0.21 0.01 -0.00 -0.04 0.95 1.13 1zr6A1 VAL 468 H 0.03 -0.08 -0.44 -0.55 8.24 7.20 1zr6A1 VAL 468 HA 0.12 0.17 0.80 -0.75 4.13 4.47 1zr6A1 VAL 468 HB 0.28 -0.04 0.04 -0.04 2.12 2.36 1zr6A1 VAL 468 HG13 0.20 0.00 -0.33 -0.04 0.97 0.80 1zr6A1 VAL 468 HG23 -0.01 -0.03 -0.20 -0.04 0.95 0.67 1zr6A1 SER 469 H 0.02 0.11 -0.11 -0.55 8.46 7.93 1zr6A1 SER 469 HA 0.03 0.09 0.45 -0.75 4.49 4.30 1zr6A1 SER 469 HB2 -0.21 0.26 0.07 -0.04 3.95 4.03 1zr6A1 SER 469 HB3 -0.10 -0.14 0.03 -0.04 3.93 3.68 1zr6A1 VAL 470 H -0.47 0.18 0.12 -0.55 8.24 7.51 1zr6A1 VAL 470 HA -0.13 -0.02 0.39 -0.75 4.13 3.61 1zr6A1 VAL 470 HB -0.55 0.02 0.03 -0.04 2.12 1.57 1zr6A1 VAL 470 HG13 -0.07 0.01 -0.33 -0.04 0.97 0.55 1zr6A1 VAL 470 HG23 -0.91 0.00 0.05 -0.04 0.95 0.05 1zr6A1 GLU 471 H -0.04 0.04 0.15 -0.55 8.60 8.20 1zr6A1 GLU 471 HA -0.08 0.20 0.64 -0.75 4.29 4.29 1zr6A1 GLU 471 HB2 -0.00 -0.09 -0.01 -0.04 2.09 1.95 1zr6A1 GLU 471 HB3 -0.02 0.08 -0.06 -0.04 1.99 1.95 1zr6A1 GLU 471 HG2 -0.01 0.05 -0.07 -0.04 2.34 2.27 1zr6A1 GLU 471 HG3 0.00 0.11 -0.06 -0.04 2.34 2.35 1zr6A1 PRO 472 HA -0.02 0.08 0.45 -0.51 4.44 4.44 1zr6A1 PRO 472 HB2 -0.03 0.00 0.08 -0.04 2.28 2.29 1zr6A1 PRO 472 HB3 -0.05 0.14 -0.19 -0.04 2.02 1.88 1zr6A1 PRO 472 HG2 -0.03 -0.01 0.17 -0.04 2.03 2.12 1zr6A1 PRO 472 HG3 -0.05 0.07 0.02 -0.04 2.03 2.03 1zr6A1 PRO 472 HD2 -0.04 0.05 0.15 -0.04 3.68 3.80 1zr6A1 PRO 472 HD3 -0.08 0.16 0.12 -0.04 3.65 3.81 1zr6A1 ILE 473 H 0.02 0.52 0.12 -0.55 8.25 8.36 1zr6A1 ILE 473 HA 0.01 0.12 0.80 -0.75 4.18 4.35 1zr6A1 ILE 473 HB 0.04 -0.04 0.01 -0.04 1.89 1.86 1zr6A1 ILE 473 HG12 0.00 0.10 -0.16 -0.04 1.49 1.39 1zr6A1 ILE 473 HG13 0.00 -0.07 -0.84 -0.04 1.21 0.26 1zr6A1 ILE 473 HG23 0.01 0.01 -0.14 -0.04 0.93 0.77 1zr6A1 ILE 473 HD13 0.02 -0.02 -0.11 -0.04 0.88 0.73 1zr6A1 ALA 474 H 0.01 0.13 0.04 -0.55 8.40 8.04 1zr6A1 ALA 474 HA 0.06 0.03 0.50 -0.75 4.34 4.17 1zr6A1 ALA 474 HB3 0.02 0.01 0.05 -0.04 1.41 1.45 1zr6A1 TYR 475 H 0.16 0.07 0.07 -0.55 8.29 8.04 1zr6A1 TYR 475 HA -0.00 0.18 0.29 -0.75 4.56 4.27 1zr6A1 TYR 475 HB2 -0.01 0.02 0.08 -0.04 3.06 3.11 1zr6A1 TYR 475 HB3 -0.01 -0.01 0.07 -0.04 2.98 2.99 1zr6A1 TYR 475 HD2 -0.00 0.03 -0.03 -0.04 7.15 7.11 1zr6A1 TYR 475 HE2 0.00 -0.02 -0.02 -0.04 6.85 6.78