============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. TYR 5 0.840 -14.438 13.795 -0.607 -99.200 -91.000 TYR 10 0.840 -5.706 5.336 -8.547 -99.200 -91.000 PHE 24 1.000 -2.802 13.590 -5.950 -99.200 -91.000 PHE 29 1.000 -6.346 14.993 4.926 -99.200 -91.000 HIS 34 0.900 -4.450 25.118 8.513 -99.200 -91.000 PHE 38 1.000 -10.106 20.295 15.698 -99.200 -91.000 TYR 49 0.840 5.168 23.854 17.526 -99.200 -91.000 TRP 53 1.040 2.543 16.242 6.847 -99.200 -91.000 TRP6 53 1.020 0.462 15.119 6.535 -99.200 -91.000 PHE 65 1.000 -2.427 -0.394 -1.003 -99.200 -91.000 TRP 84 1.040 -13.797 6.393 16.365 -99.200 -91.000 TRP6 84 1.020 -14.621 6.997 14.203 -99.200 -91.000 HIS 100 0.900 -8.672 -6.787 -1.245 -99.200 -91.000 TYR 105 0.840 -8.809 -7.510 -5.164 -99.200 -91.000 PHE 109 1.000 3.878 2.124 -1.379 -99.200 -91.000 TYR 113 0.840 4.988 5.568 -5.527 -99.200 -91.000 PHE 117 1.000 -0.490 4.086 -2.815 -99.200 -91.000 HIS 118 0.900 -8.540 3.730 -6.336 -99.200 -91.000 PHE 119 1.000 -7.052 3.362 0.638 -99.200 -91.000 TRP 122 1.040 -23.406 4.340 2.734 -99.200 -91.000 TRP6 122 1.020 -24.579 4.283 0.672 -99.200 -91.000 PHE 124 1.000 -19.976 13.414 1.484 -99.200 -91.000 TRP 127 1.040 -21.325 1.820 -2.140 -99.200 -91.000 TRP6 127 1.020 -19.860 1.098 -0.424 -99.200 -91.000 PHE 145 1.000 -1.730 10.741 13.530 -99.200 -91.000 HIS 147 0.900 2.059 1.217 14.373 -99.200 -91.000 PHE 154 1.000 4.668 1.976 4.543 -99.200 -91.000 TRP 155 1.040 -3.391 -3.152 4.295 -99.200 -91.000 TRP6 155 1.020 -5.562 -2.954 5.262 -99.200 -91.000 TYR 163 0.840 -13.648 6.981 8.389 -99.200 -91.000 TYR 170 0.840 -4.087 11.437 9.812 -99.200 -91.000 PHE 182 1.000 -18.718 -2.306 13.000 -99.200 -91.000 PHE 185 1.000 -14.257 1.272 6.858 -99.200 -91.000 TRP 192 1.040 -27.646 0.086 20.862 -99.200 -91.000 TRP6 192 1.020 -27.491 -0.083 23.217 -99.200 -91.000 TYR 193 0.840 -27.968 -7.486 19.616 -99.200 -91.000 TYR 203 0.840 -21.482 -18.488 21.402 -99.200 -91.000 PHE 233 1.000 -8.839 -3.487 40.322 -99.200 -91.000 HIS 240 0.900 -9.327 0.672 22.969 -99.200 -91.000 TYR 242 0.840 -11.029 -4.459 23.830 -99.200 -91.000 TYR 252 0.840 -12.676 -26.038 31.760 -99.200 -91.000 TRP 266 1.040 -4.679 0.542 22.141 -99.200 -91.000 TRP6 266 1.020 -4.474 0.610 24.505 -99.200 -91.000 TRP 271 1.040 -9.975 -12.400 29.491 -99.200 -91.000 TRP6 271 1.020 -11.239 -11.537 31.294 -99.200 -91.000 TRP 275 1.040 -12.153 -19.980 28.810 -99.200 -91.000 TRP6 275 1.020 -11.552 -22.136 28.031 -99.200 -91.000 TYR 280 0.840 -2.705 -22.481 35.963 -99.200 -91.000 TRP 282 1.040 -6.533 -21.421 26.241 -99.200 -91.000 TRP6 282 1.020 -7.963 -21.774 24.381 -99.200 -91.000 TYR 288 0.840 -8.142 -30.571 15.347 -99.200 -91.000 PHE 302 1.000 -8.855 -10.145 24.715 -99.200 -91.000 TRP 303 1.040 -9.674 -17.791 21.478 -99.200 -91.000 TRP6 303 1.020 -11.520 -18.244 20.078 -99.200 -91.000 PHE 306 1.000 -22.413 -14.813 24.830 -99.200 -91.000 PHE 309 1.000 -18.776 -10.232 24.583 -99.200 -91.000 PHE 313 1.000 -15.308 -6.425 26.238 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2r9fA1 ASN 33 HA 0.04 -0.11 0.19 -0.75 4.76 4.13 2r9fA1 ASN 33 HB2 0.05 -0.03 -0.01 -0.04 2.88 2.85 2r9fA1 ASN 33 HB3 0.06 0.06 -0.06 -0.04 2.79 2.81 2r9fA1 ASN 33 HD21 0.02 -0.02 0.00 -0.04 7.03 7.00 2r9fA1 ASN 33 HD22 0.03 -0.00 -0.01 -0.04 7.74 7.72 2r9fA1 ALA 34 H 0.08 0.02 0.03 -0.55 8.40 7.99 2r9fA1 ALA 34 HA 0.23 0.16 0.48 -0.75 4.34 4.45 2r9fA1 ALA 34 HB3 0.19 -0.04 -0.17 -0.04 1.41 1.36 2r9fA1 ILE 35 H 0.17 0.44 0.36 -0.55 8.25 8.67 2r9fA1 ILE 35 HA 0.09 0.14 0.75 -0.75 4.18 4.41 2r9fA1 ILE 35 HB 0.08 -0.06 0.10 -0.04 1.89 1.97 2r9fA1 ILE 35 HG12 0.13 0.15 0.14 -0.04 1.49 1.86 2r9fA1 ILE 35 HG13 0.12 -0.06 -0.18 -0.04 1.21 1.05 2r9fA1 ILE 35 HG23 0.08 0.03 0.03 -0.04 0.93 1.03 2r9fA1 ILE 35 HD13 0.06 -0.00 -0.02 -0.04 0.88 0.88 2r9fA1 LYS 36 H 0.08 0.13 0.14 -0.55 8.42 8.21 2r9fA1 LYS 36 HA 0.14 0.13 0.51 -0.75 4.32 4.35 2r9fA1 LYS 36 HB2 0.05 -0.11 0.03 -0.04 1.87 1.80 2r9fA1 LYS 36 HB3 0.08 0.34 -0.17 -0.04 1.79 1.99 2r9fA1 LYS 36 HG2 0.07 -0.03 -0.02 -0.04 1.46 1.44 2r9fA1 LYS 36 HG3 0.07 -0.01 0.02 -0.04 1.46 1.50 2r9fA1 LYS 36 HD2 0.03 0.01 -0.06 -0.04 1.69 1.63 2r9fA1 LYS 36 HD3 0.03 0.05 -0.39 -0.04 1.68 1.32 2r9fA1 LYS 36 HE2 0.01 -0.05 -0.04 -0.04 2.99 2.86 2r9fA1 LYS 36 HE3 0.03 -0.10 -0.01 -0.04 2.99 2.86 2r9fA1 TYR 37 H 0.27 0.69 0.37 -0.55 8.29 9.08 2r9fA1 TYR 37 HA 0.08 0.00 0.50 -0.75 4.56 4.39 2r9fA1 TYR 37 HB2 0.13 0.01 0.03 -0.04 3.06 3.19 2r9fA1 TYR 37 HB3 0.11 0.03 0.25 -0.04 2.98 3.33 2r9fA1 TYR 37 HD2 0.15 -0.04 0.01 -0.04 7.15 7.23 2r9fA1 TYR 37 HE2 0.12 0.03 -0.06 -0.04 6.85 6.90 2r9fA1 LEU 38 H -0.19 0.17 0.23 -0.55 8.37 8.04 2r9fA1 LEU 38 HA -0.23 0.04 0.36 -0.75 4.35 3.77 2r9fA1 LEU 38 HB2 -0.24 0.11 0.03 -0.04 1.64 1.50 2r9fA1 LEU 38 HB3 -0.20 -0.00 0.17 -0.04 1.64 1.57 2r9fA1 LEU 38 HG -1.78 -0.08 -0.25 -0.04 1.64 -0.51 2r9fA1 LEU 38 HD13 -0.24 0.02 -0.04 -0.04 0.93 0.63 2r9fA1 LEU 38 HD23 -0.37 0.01 0.04 -0.04 0.89 0.54 2r9fA1 GLY 39 H -0.01 0.45 -0.58 -0.55 8.43 7.74 2r9fA1 GLY 39 HA2 0.01 -0.00 0.21 -0.51 4.01 3.72 2r9fA1 GLY 39 HA3 -0.02 0.07 0.43 -0.51 4.01 3.98 2r9fA1 GLN 40 H 0.02 0.50 -0.39 -0.55 8.47 8.06 2r9fA1 GLN 40 HA 0.03 0.05 0.51 -0.75 4.36 4.20 2r9fA1 GLN 40 HB2 0.10 0.09 0.09 -0.04 2.15 2.39 2r9fA1 GLN 40 HB3 0.09 -0.09 -0.08 -0.04 2.02 1.90 2r9fA1 GLN 40 HG2 0.08 -0.01 -0.07 -0.04 2.40 2.36 2r9fA1 GLN 40 HG3 0.01 0.12 -0.08 -0.04 2.39 2.40 2r9fA1 GLN 40 HE21 0.28 -0.10 -0.07 -0.04 6.97 7.04 2r9fA1 GLN 40 HE22 0.23 0.01 -0.04 -0.04 7.69 7.85 2r9fA1 ASP 41 H -0.02 0.18 0.09 -0.55 8.40 8.10 2r9fA1 ASP 41 HA 0.01 0.16 0.65 -0.75 4.63 4.70 2r9fA1 ASP 41 HB2 -0.01 0.19 -0.02 -0.04 2.71 2.83 2r9fA1 ASP 41 HB3 -0.04 -0.02 0.18 -0.04 2.70 2.78 2r9fA1 TYR 42 H 0.05 0.31 0.05 -0.55 8.29 8.15 2r9fA1 TYR 42 HA -0.24 0.08 0.25 -0.75 4.56 3.90 2r9fA1 TYR 42 HB2 -0.26 0.09 -0.03 -0.04 3.06 2.82 2r9fA1 TYR 42 HB3 -0.38 -0.01 0.07 -0.04 2.98 2.62 2r9fA1 TYR 42 HD2 -0.36 -0.02 -0.18 -0.04 7.15 6.55 2r9fA1 TYR 42 HE2 -0.25 0.11 -0.22 -0.04 6.85 6.46 2r9fA1 GLU 43 H -0.09 0.14 -0.10 -0.55 8.60 7.99 2r9fA1 GLU 43 HA -0.62 0.00 0.26 -0.75 4.29 3.17 2r9fA1 GLU 43 HB2 -0.08 0.00 0.06 -0.04 2.09 2.03 2r9fA1 GLU 43 HB3 -0.10 0.00 0.05 -0.04 1.99 1.91 2r9fA1 GLU 43 HG2 -0.07 0.04 -0.02 -0.04 2.34 2.25 2r9fA1 GLU 43 HG3 -0.12 0.00 -0.16 -0.04 2.34 2.02 2r9fA1 ASN 44 H -0.14 0.09 -0.28 -0.55 8.53 7.64 2r9fA1 ASN 44 HA -0.12 0.09 0.45 -0.75 4.76 4.42 2r9fA1 ASN 44 HB2 -0.07 -0.01 0.07 -0.04 2.88 2.82 2r9fA1 ASN 44 HB3 -0.09 0.05 0.09 -0.04 2.79 2.80 2r9fA1 ASN 44 HD21 -0.05 0.04 0.00 -0.04 7.03 6.98 2r9fA1 ASN 44 HD22 -0.06 -0.02 0.03 -0.04 7.74 7.65 2r9fA1 LEU 45 H -0.22 0.67 -0.05 -0.55 8.37 8.23 2r9fA1 LEU 45 HA -0.14 0.04 0.42 -0.75 4.35 3.92 2r9fA1 LEU 45 HB2 -0.43 0.08 0.05 -0.04 1.64 1.30 2r9fA1 LEU 45 HB3 -0.54 -0.02 -0.05 -0.04 1.64 0.99 2r9fA1 LEU 45 HG -0.12 0.00 0.05 -0.04 1.64 1.52 2r9fA1 LEU 45 HD13 -0.19 -0.02 -0.17 -0.04 0.93 0.51 2r9fA1 LEU 45 HD23 0.04 0.01 -0.01 -0.04 0.89 0.88 2r9fA1 ARG 46 H -0.46 0.57 -0.13 -0.55 8.46 7.88 2r9fA1 ARG 46 HA -0.33 0.02 0.38 -0.75 4.34 3.66 2r9fA1 ARG 46 HB2 -0.80 0.00 0.06 -0.04 1.90 1.12 2r9fA1 ARG 46 HB3 -0.57 0.01 0.14 -0.04 1.80 1.34 2r9fA1 ARG 46 HG2 -0.28 0.04 -0.11 -0.04 1.67 1.28 2r9fA1 ARG 46 HG3 -0.37 -0.11 0.06 -0.04 1.67 1.20 2r9fA1 ARG 46 HD2 -0.23 0.13 0.02 -0.04 3.22 3.10 2r9fA1 ARG 46 HD3 -0.60 -0.07 -0.03 -0.04 3.22 2.48 2r9fA1 ALA 47 H -0.24 0.53 -0.09 -0.55 8.40 8.06 2r9fA1 ALA 47 HA -0.13 0.03 0.36 -0.75 4.34 3.85 2r9fA1 ALA 47 HB3 -0.12 0.01 0.13 -0.04 1.41 1.39 2r9fA1 ARG 48 H -0.12 0.51 -0.20 -0.55 8.46 8.10 2r9fA1 ARG 48 HA -0.05 0.02 0.42 -0.75 4.34 3.97 2r9fA1 ARG 48 HB2 -0.06 0.07 0.15 -0.04 1.90 2.02 2r9fA1 ARG 48 HB3 -0.03 -0.03 0.01 -0.04 1.80 1.70 2r9fA1 ARG 48 HG2 -0.04 -0.03 0.02 -0.04 1.67 1.58 2r9fA1 ARG 48 HG3 -0.06 0.00 0.05 -0.04 1.67 1.62 2r9fA1 ARG 48 HD2 -0.04 -0.05 -0.02 -0.04 3.22 3.07 2r9fA1 ARG 48 HD3 -0.05 0.00 -0.10 -0.04 3.22 3.03 2r9fA1 CYS 49 H -0.09 0.64 -0.09 -0.55 8.50 8.41 2r9fA1 CYS 49 HA -0.01 -0.03 0.44 -0.75 4.58 4.23 2r9fA1 CYS 49 HB2 -0.10 0.07 0.19 -0.04 2.97 3.09 2r9fA1 CYS 49 HB3 -0.03 0.26 -0.01 -0.04 2.97 3.15 2r9fA1 LEU 50 H -0.09 0.49 -0.19 -0.55 8.37 8.04 2r9fA1 LEU 50 HA -0.05 0.06 0.38 -0.75 4.35 3.99 2r9fA1 LEU 50 HB2 -0.08 0.09 0.19 -0.04 1.64 1.81 2r9fA1 LEU 50 HB3 -0.05 -0.07 -0.01 -0.04 1.64 1.47 2r9fA1 LEU 50 HG -0.11 0.05 -0.06 -0.04 1.64 1.48 2r9fA1 LEU 50 HD13 -0.09 -0.01 -0.06 -0.04 0.93 0.73 2r9fA1 LEU 50 HD23 -0.03 -0.00 -0.09 -0.04 0.89 0.72 2r9fA1 GLN 51 H -0.05 0.52 -0.06 -0.55 8.47 8.33 2r9fA1 GLN 51 HA -0.02 -0.00 0.43 -0.75 4.36 4.01 2r9fA1 GLN 51 HB2 -0.03 -0.02 0.13 -0.04 2.15 2.19 2r9fA1 GLN 51 HB3 -0.03 0.07 0.16 -0.04 2.02 2.18 2r9fA1 GLN 51 HG2 -0.02 0.03 -0.14 -0.04 2.40 2.23 2r9fA1 GLN 51 HG3 -0.02 -0.04 0.06 -0.04 2.39 2.34 2r9fA1 GLN 51 HE21 -0.02 -0.04 -0.01 -0.04 6.97 6.87 2r9fA1 GLN 51 HE22 -0.02 -0.01 -0.00 -0.04 7.69 7.63 2r9fA1 ASN 52 H -0.02 0.47 -0.26 -0.55 8.53 8.17 2r9fA1 ASN 52 HA -0.01 0.05 0.52 -0.75 4.76 4.57 2r9fA1 ASN 52 HB2 -0.01 0.07 0.11 -0.04 2.88 3.01 2r9fA1 ASN 52 HB3 -0.00 -0.07 0.11 -0.04 2.79 2.79 2r9fA1 ASN 52 HD21 -0.01 -0.09 -0.02 -0.04 7.03 6.87 2r9fA1 ASN 52 HD22 -0.00 -0.04 -0.06 -0.04 7.74 7.60 2r9fA1 GLY 53 H -0.01 0.33 -0.48 -0.55 8.43 7.72 2r9fA1 GLY 53 HA2 -0.00 0.04 0.29 -0.51 4.01 3.83 2r9fA1 GLY 53 HA3 0.00 -0.03 0.30 -0.51 4.01 3.77 2r9fA1 VAL 54 H -0.01 0.51 -0.03 -0.55 8.24 8.15 2r9fA1 VAL 54 HA 0.01 0.15 0.90 -0.75 4.13 4.44 2r9fA1 VAL 54 HB 0.01 -0.02 0.06 -0.04 2.12 2.13 2r9fA1 VAL 54 HG13 0.01 0.06 -0.17 -0.04 0.97 0.82 2r9fA1 VAL 54 HG23 0.01 -0.02 -0.18 -0.04 0.95 0.72 2r9fA1 LEU 55 H 0.02 0.12 0.10 -0.55 8.37 8.06 2r9fA1 LEU 55 HA -0.04 0.24 0.79 -0.75 4.35 4.58 2r9fA1 LEU 55 HB2 0.04 -0.02 0.02 -0.04 1.64 1.64 2r9fA1 LEU 55 HB3 0.02 -0.03 -0.06 -0.04 1.64 1.53 2r9fA1 LEU 55 HG 0.05 0.01 -0.10 -0.04 1.64 1.56 2r9fA1 LEU 55 HD13 0.18 -0.02 -0.07 -0.04 0.93 0.97 2r9fA1 LEU 55 HD23 -0.12 0.01 -0.25 -0.04 0.89 0.49 2r9fA1 PHE 56 H 0.11 0.64 0.25 -0.55 8.34 8.79 2r9fA1 PHE 56 HA -0.03 0.01 0.34 -0.75 4.62 4.19 2r9fA1 PHE 56 HB2 -0.07 0.06 -0.03 -0.04 3.15 3.07 2r9fA1 PHE 56 HB3 -0.00 0.09 -0.13 -0.04 3.06 2.98 2r9fA1 PHE 56 HD2 0.04 0.06 -0.13 -0.04 7.28 7.21 2r9fA1 PHE 56 HE2 0.07 -0.02 -0.22 -0.04 7.38 7.18 2r9fA1 PHE 56 HZ 0.06 -0.04 -0.14 -0.04 7.32 7.16 2r9fA1 GLN 57 H -0.36 0.24 0.18 -0.55 8.47 7.98 2r9fA1 GLN 57 HA -0.30 0.09 0.66 -0.75 4.36 4.06 2r9fA1 GLN 57 HB2 -0.18 -0.01 0.10 -0.04 2.15 2.02 2r9fA1 GLN 57 HB3 -0.20 -0.01 -0.01 -0.04 2.02 1.76 2r9fA1 GLN 57 HG2 -0.08 0.01 0.02 -0.04 2.40 2.31 2r9fA1 GLN 57 HG3 -0.07 0.14 -0.25 -0.04 2.39 2.16 2r9fA1 GLN 57 HE21 -0.04 -0.01 -0.01 -0.04 6.97 6.87 2r9fA1 GLN 57 HE22 -0.04 0.06 -0.02 -0.04 7.69 7.65 2r9fA1 ASP 58 H -0.35 0.21 0.03 -0.55 8.40 7.75 2r9fA1 ASP 58 HA -0.56 0.07 0.39 -0.75 4.63 3.78 2r9fA1 ASP 58 HB2 -0.06 -0.08 -0.02 -0.04 2.71 2.50 2r9fA1 ASP 58 HB3 0.01 0.24 0.08 -0.04 2.70 2.98 2r9fA1 ASP 59 H -0.10 0.25 0.20 -0.55 8.40 8.19 2r9fA1 ASP 59 HA -0.07 0.08 0.38 -0.75 4.63 4.27 2r9fA1 ASP 59 HB2 0.01 -0.03 0.07 -0.04 2.71 2.72 2r9fA1 ASP 59 HB3 -0.01 0.04 0.01 -0.04 2.70 2.70 2r9fA1 ALA 60 H 0.07 -0.02 -0.41 -0.55 8.40 7.50 2r9fA1 ALA 60 HA 0.07 0.16 0.55 -0.75 4.34 4.37 2r9fA1 ALA 60 HB3 0.09 0.00 0.00 -0.04 1.41 1.47 2r9fA1 PHE 61 H 0.12 0.26 -0.57 -0.55 8.34 7.60 2r9fA1 PHE 61 HA 0.05 0.14 0.47 -0.75 4.62 4.52 2r9fA1 PHE 61 HB2 0.12 0.07 -0.25 -0.04 3.15 3.04 2r9fA1 PHE 61 HB3 0.11 -0.12 0.12 -0.04 3.06 3.12 2r9fA1 PHE 61 HD2 0.14 0.03 0.07 -0.04 7.28 7.47 2r9fA1 PHE 61 HE2 0.12 0.08 -0.16 -0.04 7.38 7.38 2r9fA1 PHE 61 HZ -0.03 -0.07 -0.14 -0.04 7.32 7.04 2r9fA1 PRO 62 HA -0.26 0.08 0.45 -0.51 4.44 4.20 2r9fA1 PRO 62 HB2 -0.25 -0.02 -0.10 -0.04 2.28 1.87 2r9fA1 PRO 62 HB3 -0.16 0.03 -0.00 -0.04 2.02 1.85 2r9fA1 PRO 62 HG2 -0.14 -0.09 -0.05 -0.04 2.03 1.71 2r9fA1 PRO 62 HG3 -0.07 0.10 0.00 -0.04 2.03 2.01 2r9fA1 PRO 62 HD2 -0.08 0.09 0.01 -0.04 3.68 3.65 2r9fA1 PRO 62 HD3 -0.00 0.22 -0.23 -0.04 3.65 3.60 2r9fA1 PRO 63 HA -2.71 0.14 0.42 -0.51 4.44 1.77 2r9fA1 PRO 63 HB2 -0.68 0.02 0.15 -0.04 2.28 1.73 2r9fA1 PRO 63 HB3 -0.54 0.01 0.04 -0.04 2.02 1.49 2r9fA1 PRO 63 HG2 -0.33 0.04 0.07 -0.04 2.03 1.77 2r9fA1 PRO 63 HG3 -0.23 0.02 0.07 -0.04 2.03 1.85 2r9fA1 PRO 63 HD2 -0.30 0.10 0.07 -0.04 3.68 3.51 2r9fA1 PRO 63 HD3 -0.31 0.05 0.16 -0.04 3.65 3.51 2r9fA1 VAL 64 H -0.72 0.59 0.06 -0.55 8.24 7.62 2r9fA1 VAL 64 HA -0.16 0.21 0.70 -0.75 4.13 4.12 2r9fA1 VAL 64 HB -0.17 -0.10 0.10 -0.04 2.12 1.91 2r9fA1 VAL 64 HG13 -0.21 0.01 -0.28 -0.04 0.97 0.45 2r9fA1 VAL 64 HG23 -0.18 -0.03 -0.21 -0.04 0.95 0.49 2r9fA1 SER 65 H -0.03 0.20 0.14 -0.55 8.46 8.22 2r9fA1 SER 65 HA 0.24 0.08 0.16 -0.75 4.49 4.22 2r9fA1 SER 65 HB2 0.08 0.03 -0.09 -0.04 3.95 3.93 2r9fA1 SER 65 HB3 0.07 0.09 0.07 -0.04 3.93 4.12 2r9fA1 HIS 66 H -0.11 0.05 -0.18 -0.55 8.41 7.63 2r9fA1 HIS 66 HA 0.12 0.22 0.55 -0.75 4.63 4.76 2r9fA1 HIS 66 HB2 0.02 -0.00 0.01 -0.04 3.26 3.24 2r9fA1 HIS 66 HB3 0.07 0.08 0.07 -0.04 3.20 3.37 2r9fA1 HIS 66 HD2 0.08 0.05 0.01 -0.04 6.97 7.07 2r9fA1 HIS 66 HE1 0.03 0.01 0.02 -0.04 7.75 7.76 2r9fA1 SER 67 H 0.06 0.31 -0.24 -0.55 8.46 8.04 2r9fA1 SER 67 HA 0.04 0.24 0.79 -0.75 4.49 4.81 2r9fA1 SER 67 HB2 -0.14 0.05 0.09 -0.04 3.95 3.91 2r9fA1 SER 67 HB3 -1.24 -0.06 0.02 -0.04 3.93 2.61 2r9fA1 LEU 68 H 0.34 0.29 -0.11 -0.55 8.37 8.35 2r9fA1 LEU 68 HA 0.44 -0.02 0.66 -0.75 4.35 4.67 2r9fA1 LEU 68 HB2 0.20 0.30 0.22 -0.04 1.64 2.31 2r9fA1 LEU 68 HB3 0.17 -0.14 0.02 -0.04 1.64 1.65 2r9fA1 LEU 68 HG 0.50 0.05 -0.04 -0.04 1.64 2.11 2r9fA1 LEU 68 HD13 0.07 -0.01 -0.06 -0.04 0.93 0.89 2r9fA1 LEU 68 HD23 -0.08 -0.02 -0.06 -0.04 0.89 0.69 2r9fA1 GLY 69 H 0.23 0.69 0.14 -0.55 8.43 8.94 2r9fA1 GLY 69 HA2 0.29 0.04 0.24 -0.51 4.01 4.06 2r9fA1 GLY 69 HA3 0.02 -0.24 0.36 -0.51 4.01 3.64 2r9fA1 PHE 70 H -0.47 -0.28 0.01 -0.55 8.34 7.04 2r9fA1 PHE 70 HA 0.07 0.25 0.81 -0.75 4.62 5.00 2r9fA1 PHE 70 HB2 0.02 0.05 0.02 -0.04 3.15 3.19 2r9fA1 PHE 70 HB3 0.04 0.15 -0.18 -0.04 3.06 3.02 2r9fA1 PHE 70 HD2 0.05 0.04 -0.18 -0.04 7.28 7.14 2r9fA1 PHE 70 HE2 0.05 0.02 -0.12 -0.04 7.38 7.28 2r9fA1 PHE 70 HZ 0.04 0.11 -0.08 -0.04 7.32 7.35 2r9fA1 LYS 71 H -0.55 -0.26 -0.00 -0.55 8.42 7.06 2r9fA1 LYS 71 HA -0.03 0.31 0.85 -0.75 4.32 4.70 2r9fA1 LYS 71 HB2 0.05 0.14 -0.10 -0.04 1.87 1.92 2r9fA1 LYS 71 HB3 -0.32 -0.15 0.17 -0.04 1.79 1.46 2r9fA1 LYS 71 HG2 -0.05 -0.03 -0.10 -0.04 1.46 1.24 2r9fA1 LYS 71 HG3 0.01 0.08 0.02 -0.04 1.46 1.53 2r9fA1 LYS 71 HD2 0.09 0.06 -0.00 -0.04 1.69 1.80 2r9fA1 LYS 71 HD3 0.02 -0.02 0.02 -0.04 1.68 1.65 2r9fA1 LYS 71 HE2 0.03 0.03 -0.00 -0.04 2.99 3.01 2r9fA1 LYS 71 HE3 0.00 -0.03 -0.02 -0.04 2.99 2.90 2r9fA1 GLU 72 H -0.25 0.19 0.16 -0.55 8.60 8.15 2r9fA1 GLU 72 HA -0.08 0.00 0.48 -0.75 4.29 3.94 2r9fA1 GLU 72 HB2 -0.13 0.00 0.13 -0.04 2.09 2.05 2r9fA1 GLU 72 HB3 -0.06 0.00 0.05 -0.04 1.99 1.94 2r9fA1 GLU 72 HG2 -0.04 0.00 0.06 -0.04 2.34 2.32 2r9fA1 GLU 72 HG3 -0.08 0.00 0.09 -0.04 2.34 2.31 2r9fA1 LEU 73 H -0.19 -0.14 -0.27 -0.55 8.37 7.22 2r9fA1 LEU 73 HA -0.04 0.22 0.66 -0.75 4.35 4.43 2r9fA1 LEU 73 HB2 -0.02 -0.09 -0.13 -0.04 1.64 1.36 2r9fA1 LEU 73 HB3 0.07 0.07 -0.11 -0.04 1.64 1.62 2r9fA1 LEU 73 HG 0.01 -0.07 -0.34 -0.04 1.64 1.20 2r9fA1 LEU 73 HD13 0.11 0.03 -0.06 -0.04 0.93 0.96 2r9fA1 LEU 73 HD23 0.07 0.02 -0.11 -0.04 0.89 0.83 2r9fA1 GLY 74 H -0.08 0.32 -0.59 -0.55 8.43 7.54 2r9fA1 GLY 74 HA2 0.07 0.32 0.10 -0.51 4.01 4.00 2r9fA1 GLY 74 HA3 0.01 0.13 -0.11 -0.51 4.01 3.53 2r9fA1 PRO 75 HA -0.00 0.07 0.23 -0.51 4.44 4.23 2r9fA1 PRO 75 HB2 0.06 0.06 -0.02 -0.04 2.28 2.34 2r9fA1 PRO 75 HB3 0.04 -0.00 0.10 -0.04 2.02 2.12 2r9fA1 PRO 75 HG2 0.08 0.03 0.05 -0.04 2.03 2.14 2r9fA1 PRO 75 HG3 0.18 0.07 0.07 -0.04 2.03 2.32 2r9fA1 PRO 75 HD2 0.10 0.12 0.14 -0.04 3.68 4.00 2r9fA1 PRO 75 HD3 0.21 0.22 0.15 -0.04 3.65 4.18 2r9fA1 ASN 76 H -0.05 0.05 -0.48 -0.55 8.53 7.50 2r9fA1 ASN 76 HA -0.15 0.26 0.80 -0.75 4.76 4.92 2r9fA1 ASN 76 HB2 0.01 -0.02 0.02 -0.04 2.88 2.86 2r9fA1 ASN 76 HB3 0.07 0.01 0.14 -0.04 2.79 2.97 2r9fA1 ASN 76 HD21 0.11 -0.00 -0.11 -0.04 7.03 6.99 2r9fA1 ASN 76 HD22 0.23 0.08 -0.06 -0.04 7.74 7.94 2r9fA1 SER 77 H -0.39 0.41 -0.27 -0.55 8.46 7.66 2r9fA1 SER 77 HA -0.14 0.17 0.68 -0.75 4.49 4.44 2r9fA1 SER 77 HB2 -0.10 -0.01 0.08 -0.04 3.95 3.88 2r9fA1 SER 77 HB3 -0.11 0.04 -0.09 -0.04 3.93 3.73 2r9fA1 SER 78 H -0.06 0.16 0.17 -0.55 8.46 8.19 2r9fA1 SER 78 HA 0.11 0.12 0.36 -0.75 4.49 4.33 2r9fA1 SER 78 HB2 -0.01 -0.04 0.14 -0.04 3.95 3.99 2r9fA1 SER 78 HB3 0.02 0.06 0.03 -0.04 3.93 4.00 2r9fA1 LYS 79 H -0.07 0.08 -0.11 -0.55 8.42 7.77 2r9fA1 LYS 79 HA -0.05 0.10 0.41 -0.75 4.32 4.03 2r9fA1 LYS 79 HB2 -0.05 0.10 0.13 -0.04 1.87 2.01 2r9fA1 LYS 79 HB3 -0.05 0.03 0.00 -0.04 1.79 1.74 2r9fA1 LYS 79 HG2 -0.04 0.03 0.02 -0.04 1.46 1.43 2r9fA1 LYS 79 HG3 -0.04 -0.11 0.08 -0.04 1.46 1.35 2r9fA1 LYS 79 HD2 -0.03 0.04 0.05 -0.04 1.69 1.71 2r9fA1 LYS 79 HD3 -0.01 0.02 -0.03 -0.04 1.68 1.63 2r9fA1 LYS 79 HE2 -0.01 -0.03 -0.03 -0.04 2.99 2.89 2r9fA1 LYS 79 HE3 -0.03 0.04 -0.01 -0.04 2.99 2.94 2r9fA1 THR 80 H -0.14 0.05 -0.31 -0.55 8.28 7.34 2r9fA1 THR 80 HA -0.05 0.02 0.30 -0.75 4.39 3.91 2r9fA1 THR 80 HB -0.27 0.07 -0.01 -0.04 4.32 4.07 2r9fA1 THR 80 HG23 0.00 -0.02 -0.19 -0.04 1.22 0.97 2r9fA1 TYR 81 H -0.16 0.36 -0.24 -0.55 8.29 7.71 2r9fA1 TYR 81 HA 0.00 0.03 0.20 -0.75 4.56 4.04 2r9fA1 TYR 81 HB2 -0.01 0.08 0.05 -0.04 3.06 3.14 2r9fA1 TYR 81 HB3 -0.01 -0.03 -0.04 -0.04 2.98 2.86 2r9fA1 TYR 81 HD2 0.00 -0.03 -0.08 -0.04 7.15 7.00 2r9fA1 TYR 81 HE2 0.01 0.00 -0.08 -0.04 6.85 6.75 2r9fA1 GLY 82 H 0.04 0.24 -0.30 -0.55 8.43 7.86 2r9fA1 GLY 82 HA2 0.01 0.06 0.62 -0.51 4.01 4.19 2r9fA1 GLY 82 HA3 -0.02 -0.05 0.30 -0.51 4.01 3.73 2r9fA1 ILE 83 H -0.03 0.42 -0.15 -0.55 8.25 7.94 2r9fA1 ILE 83 HA -0.16 0.20 0.49 -0.75 4.18 3.96 2r9fA1 ILE 83 HB -0.12 0.13 0.15 -0.04 1.89 2.02 2r9fA1 ILE 83 HG12 -0.33 -0.04 -0.12 -0.04 1.49 0.96 2r9fA1 ILE 83 HG13 -0.17 0.09 -0.00 -0.04 1.21 1.09 2r9fA1 ILE 83 HG23 -0.45 -0.06 -0.21 -0.04 0.93 0.16 2r9fA1 ILE 83 HD13 -0.24 -0.05 -0.10 -0.04 0.88 0.45 2r9fA1 LYS 84 H -0.14 0.67 0.42 -0.55 8.42 8.82 2r9fA1 LYS 84 HA 0.07 0.15 0.82 -0.75 4.32 4.62 2r9fA1 LYS 84 HB2 -0.02 -0.08 0.04 -0.04 1.87 1.78 2r9fA1 LYS 84 HB3 0.05 0.02 -0.02 -0.04 1.79 1.81 2r9fA1 LYS 84 HG2 0.04 0.04 -0.04 -0.04 1.46 1.46 2r9fA1 LYS 84 HG3 -0.01 0.12 -0.29 -0.04 1.46 1.24 2r9fA1 LYS 84 HD2 -0.01 -0.09 -0.02 -0.04 1.69 1.53 2r9fA1 LYS 84 HD3 0.02 -0.01 -0.03 -0.04 1.68 1.62 2r9fA1 LYS 84 HE2 0.02 0.02 -0.02 -0.04 2.99 2.97 2r9fA1 LYS 84 HE3 -0.00 0.04 -0.02 -0.04 2.99 2.96 2r9fA1 TRP 85 H 0.39 0.18 0.07 -0.55 7.97 8.06 2r9fA1 TRP 85 HA 0.02 0.24 0.54 -0.75 4.62 4.66 2r9fA1 TRP 85 HB2 0.01 0.03 0.11 -0.04 3.23 3.34 2r9fA1 TRP 85 HB3 0.04 -0.05 -0.15 -0.04 3.23 3.03 2r9fA1 TRP 85 HD1 -0.00 0.03 -0.11 -0.04 7.22 7.10 2r9fA1 TRP 85 HE1 -0.00 -0.05 -0.38 -0.04 10.20 9.73 2r9fA1 TRP 85 HE3 0.10 -0.03 -0.62 -0.04 7.59 7.00 2r9fA1 TRP 85 HZ2 0.03 -0.00 -0.14 -0.04 7.44 7.28 2r9fA1 TRP 85 HZ3 0.22 0.15 -0.11 -0.04 7.13 7.35 2r9fA1 TRP 85 HH2 0.10 0.02 -0.15 -0.04 7.19 7.12 2r9fA1 LYS 86 H 0.13 0.66 0.31 -0.55 8.42 8.96 2r9fA1 LYS 86 HA 0.13 0.11 0.76 -0.75 4.32 4.56 2r9fA1 LYS 86 HB2 0.03 0.03 -0.06 -0.04 1.87 1.83 2r9fA1 LYS 86 HB3 0.04 0.03 -0.06 -0.04 1.79 1.75 2r9fA1 LYS 86 HG2 0.06 0.05 -0.09 -0.04 1.46 1.44 2r9fA1 LYS 86 HG3 0.05 -0.02 -0.66 -0.04 1.46 0.78 2r9fA1 LYS 86 HD2 -0.00 -0.05 -0.16 -0.04 1.69 1.44 2r9fA1 LYS 86 HD3 0.02 0.05 -0.14 -0.04 1.68 1.57 2r9fA1 LYS 86 HE2 0.02 0.03 -0.08 -0.04 2.99 2.91 2r9fA1 LYS 86 HE3 0.01 -0.01 -0.15 -0.04 2.99 2.80 2r9fA1 ARG 87 H 0.11 0.14 0.10 -0.55 8.46 8.26 2r9fA1 ARG 87 HA 0.15 0.47 0.69 -0.75 4.34 4.90 2r9fA1 ARG 87 HB2 0.14 -0.04 0.03 -0.04 1.90 1.99 2r9fA1 ARG 87 HB3 0.25 -0.03 0.02 -0.04 1.80 2.00 2r9fA1 ARG 87 HG2 0.24 -0.02 -0.30 -0.04 1.67 1.55 2r9fA1 ARG 87 HG3 0.16 -0.00 -0.05 -0.04 1.67 1.74 2r9fA1 ARG 87 HD2 0.19 0.02 -0.05 -0.04 3.22 3.35 2r9fA1 ARG 87 HD3 0.28 -0.05 -0.04 -0.04 3.22 3.38 2r9fA1 PRO 88 HA -0.48 0.12 0.44 -0.51 4.44 4.01 2r9fA1 PRO 88 HB2 -1.25 0.01 -0.04 -0.04 2.28 0.96 2r9fA1 PRO 88 HB3 -2.49 0.05 0.04 -0.04 2.02 -0.42 2r9fA1 PRO 88 HG2 -0.20 -0.01 0.01 -0.04 2.03 1.79 2r9fA1 PRO 88 HG3 -0.71 0.10 0.04 -0.04 2.03 1.41 2r9fA1 PRO 88 HD2 0.22 -0.02 0.18 -0.04 3.68 4.02 2r9fA1 PRO 88 HD3 0.08 0.56 0.30 -0.04 3.65 4.55 2r9fA1 THR 89 H -0.07 0.06 -0.36 -0.55 8.28 7.37 2r9fA1 THR 89 HA -0.17 0.24 0.47 -0.75 4.39 4.18 2r9fA1 THR 89 HB 0.03 0.08 0.06 -0.04 4.32 4.45 2r9fA1 THR 89 HG23 -0.29 0.01 0.01 -0.04 1.22 0.90 2r9fA1 GLU 90 H -0.02 0.31 -0.40 -0.55 8.60 7.94 2r9fA1 GLU 90 HA 0.02 0.16 0.72 -0.75 4.29 4.44 2r9fA1 GLU 90 HB2 0.03 0.05 0.10 -0.04 2.09 2.24 2r9fA1 GLU 90 HB3 0.03 0.02 0.03 -0.04 1.99 2.03 2r9fA1 GLU 90 HG2 0.05 0.07 0.01 -0.04 2.34 2.43 2r9fA1 GLU 90 HG3 0.08 -0.09 -0.11 -0.04 2.34 2.18 2r9fA1 LEU 91 H -0.06 0.17 -0.16 -0.55 8.37 7.77 2r9fA1 LEU 91 HA -0.01 0.08 0.58 -0.75 4.35 4.25 2r9fA1 LEU 91 HB2 -0.05 0.03 0.13 -0.04 1.64 1.71 2r9fA1 LEU 91 HB3 0.03 0.04 -0.01 -0.04 1.64 1.65 2r9fA1 LEU 91 HG -0.02 0.05 -0.18 -0.04 1.64 1.45 2r9fA1 LEU 91 HD13 0.04 -0.00 -0.16 -0.04 0.93 0.77 2r9fA1 LEU 91 HD23 -0.00 0.04 -0.12 -0.04 0.89 0.77 2r9fA1 LEU 92 H -0.08 0.50 0.07 -0.55 8.37 8.31 2r9fA1 LEU 92 HA -0.00 0.18 0.88 -0.75 4.35 4.65 2r9fA1 LEU 92 HB2 -0.05 0.08 -0.06 -0.04 1.64 1.58 2r9fA1 LEU 92 HB3 0.01 -0.20 -0.09 -0.04 1.64 1.32 2r9fA1 LEU 92 HG 0.08 -0.01 -0.22 -0.04 1.64 1.45 2r9fA1 LEU 92 HD13 0.20 0.03 -0.03 -0.04 0.93 1.09 2r9fA1 LEU 92 HD23 0.03 0.06 -0.07 -0.04 0.89 0.86 2r9fA1 SER 93 H -0.00 0.11 0.11 -0.55 8.46 8.13 2r9fA1 SER 93 HA -0.01 0.00 0.55 -0.75 4.49 4.28 2r9fA1 SER 93 HB2 0.01 0.00 0.05 -0.04 3.95 3.96 2r9fA1 SER 93 HB3 0.00 0.03 0.08 -0.04 3.93 4.00 2r9fA1 ASN 94 H -0.00 0.03 -0.18 -0.55 8.53 7.83 2r9fA1 ASN 94 HA -0.00 0.28 0.85 -0.75 4.76 5.14 2r9fA1 ASN 94 HB2 0.02 -0.00 -0.11 -0.04 2.88 2.74 2r9fA1 ASN 94 HB3 0.03 -0.04 0.10 -0.04 2.79 2.84 2r9fA1 ASN 94 HD21 0.06 -0.03 -0.03 -0.04 7.03 6.99 2r9fA1 ASN 94 HD22 0.04 -0.03 0.00 -0.04 7.74 7.72 2r9fA1 PRO 95 HA 0.08 0.15 0.51 -0.51 4.44 4.67 2r9fA1 PRO 95 HB2 -1.26 -0.05 -0.16 -0.04 2.28 0.76 2r9fA1 PRO 95 HB3 -0.50 0.10 -0.05 -0.04 2.02 1.53 2r9fA1 PRO 95 HG2 -0.59 -0.05 -0.07 -0.04 2.03 1.27 2r9fA1 PRO 95 HG3 -0.51 0.02 -0.34 -0.04 2.03 1.16 2r9fA1 PRO 95 HD2 -0.11 0.18 -0.06 -0.04 3.68 3.65 2r9fA1 PRO 95 HD3 -0.14 0.29 -0.45 -0.04 3.65 3.31 2r9fA1 GLN 96 H 0.28 0.78 0.35 -0.55 8.47 9.33 2r9fA1 GLN 96 HA 0.42 0.09 0.93 -0.75 4.36 5.04 2r9fA1 GLN 96 HB2 0.19 0.03 -0.10 -0.04 2.15 2.23 2r9fA1 GLN 96 HB3 0.24 -0.04 -0.18 -0.04 2.02 2.00 2r9fA1 GLN 96 HG2 0.13 0.20 -0.32 -0.04 2.40 2.37 2r9fA1 GLN 96 HG3 0.12 -0.06 -0.11 -0.04 2.39 2.31 2r9fA1 GLN 96 HE21 0.12 -0.06 -0.05 -0.04 6.97 6.94 2r9fA1 GLN 96 HE22 0.10 0.09 -0.20 -0.04 7.69 7.64 2r9fA1 PHE 97 H 0.64 0.13 0.15 -0.55 8.34 8.71 2r9fA1 PHE 97 HA 0.52 0.02 0.58 -0.75 4.62 4.98 2r9fA1 PHE 97 HB2 0.17 -0.06 0.00 -0.04 3.15 3.22 2r9fA1 PHE 97 HB3 0.22 0.08 0.20 -0.04 3.06 3.52 2r9fA1 PHE 97 HD2 -0.02 -0.00 -0.08 -0.04 7.28 7.13 2r9fA1 PHE 97 HE2 0.08 0.08 -0.07 -0.04 7.38 7.43 2r9fA1 PHE 97 HZ 0.16 0.11 -0.01 -0.04 7.32 7.54 2r9fA1 ILE 98 H 0.35 0.20 0.09 -0.55 8.25 8.34 2r9fA1 ILE 98 HA 0.22 0.16 0.84 -0.75 4.18 4.65 2r9fA1 ILE 98 HB 0.14 0.00 0.05 -0.04 1.89 2.04 2r9fA1 ILE 98 HG12 -0.60 0.03 -0.08 -0.04 1.49 0.81 2r9fA1 ILE 98 HG13 -0.19 -0.09 -0.53 -0.04 1.21 0.37 2r9fA1 ILE 98 HG23 -0.02 0.01 -0.42 -0.04 0.93 0.45 2r9fA1 ILE 98 HD13 0.02 0.02 -0.05 -0.04 0.88 0.82 2r9fA1 VAL 99 H 0.16 0.30 0.01 -0.55 8.24 8.16 2r9fA1 VAL 99 HA 0.10 0.14 0.82 -0.75 4.13 4.43 2r9fA1 VAL 99 HB 0.08 0.01 0.05 -0.04 2.12 2.21 2r9fA1 VAL 99 HG13 0.06 0.01 -0.11 -0.04 0.97 0.89 2r9fA1 VAL 99 HG23 0.11 -0.00 -0.28 -0.04 0.95 0.74 2r9fA1 ASP 100 H 0.06 0.15 0.09 -0.55 8.40 8.15 2r9fA1 ASP 100 HA 0.04 0.01 0.31 -0.75 4.63 4.24 2r9fA1 ASP 100 HB2 0.04 0.15 -0.13 -0.04 2.71 2.73 2r9fA1 ASP 100 HB3 0.03 0.01 0.19 -0.04 2.70 2.90 2r9fA1 GLY 101 H 0.04 -0.05 -0.39 -0.55 8.43 7.48 2r9fA1 GLY 101 HA2 -0.00 -0.03 0.23 -0.51 4.01 3.70 2r9fA1 GLY 101 HA3 0.00 0.16 0.33 -0.51 4.01 3.99 2r9fA1 ALA 102 H -0.16 0.16 0.05 -0.55 8.40 7.91 2r9fA1 ALA 102 HA -0.22 0.06 0.71 -0.75 4.34 4.13 2r9fA1 ALA 102 HB3 -1.30 0.01 0.09 -0.04 1.41 0.18 2r9fA1 THR 103 H 0.21 0.21 0.09 -0.55 8.28 8.25 2r9fA1 THR 103 HA 0.02 0.33 0.94 -0.75 4.39 4.92 2r9fA1 THR 103 HB 0.02 -0.07 0.11 -0.04 4.32 4.34 2r9fA1 THR 103 HG23 0.01 0.05 -0.24 -0.04 1.22 1.00 2r9fA1 ARG 104 H 0.02 0.23 0.13 -0.55 8.46 8.28 2r9fA1 ARG 104 HA 0.05 0.11 0.26 -0.75 4.34 4.00 2r9fA1 ARG 104 HB2 -0.02 -0.00 0.08 -0.04 1.90 1.91 2r9fA1 ARG 104 HB3 -0.01 0.21 0.13 -0.04 1.80 2.08 2r9fA1 ARG 104 HG2 -0.01 -0.07 0.10 -0.04 1.67 1.65 2r9fA1 ARG 104 HG3 -0.02 0.02 -0.09 -0.04 1.67 1.53 2r9fA1 ARG 104 HD2 -0.07 -0.04 -0.08 -0.04 3.22 3.00 2r9fA1 ARG 104 HD3 -0.05 0.09 -0.01 -0.04 3.22 3.20 2r9fA1 THR 105 H 0.03 0.09 -0.22 -0.55 8.28 7.62 2r9fA1 THR 105 HA -0.01 0.20 0.47 -0.75 4.39 4.30 2r9fA1 THR 105 HB 0.01 0.02 0.10 -0.04 4.32 4.41 2r9fA1 THR 105 HG23 0.01 0.01 0.02 -0.04 1.22 1.22 2r9fA1 ASP 106 H 0.06 0.43 -0.50 -0.55 8.40 7.84 2r9fA1 ASP 106 HA -0.07 -0.11 0.60 -0.75 4.63 4.30 2r9fA1 ASP 106 HB2 0.23 0.24 0.07 -0.04 2.71 3.21 2r9fA1 ASP 106 HB3 -0.18 -0.13 0.14 -0.04 2.70 2.49 2r9fA1 ILE 107 H -0.08 0.38 -0.54 -0.55 8.25 7.45 2r9fA1 ILE 107 HA -0.27 0.08 0.75 -0.75 4.18 3.98 2r9fA1 ILE 107 HB -0.08 0.14 0.19 -0.04 1.89 2.09 2r9fA1 ILE 107 HG12 -0.07 -0.02 -0.22 -0.04 1.49 1.14 2r9fA1 ILE 107 HG13 -0.07 -0.05 -0.19 -0.04 1.21 0.86 2r9fA1 ILE 107 HG23 -0.13 0.03 -0.06 -0.04 0.93 0.73 2r9fA1 ILE 107 HD13 -0.45 0.03 -0.24 -0.04 0.88 0.18 2r9fA1 CYS 108 H -0.33 0.50 0.11 -0.55 8.50 8.24 2r9fA1 CYS 108 HA -0.12 0.24 0.81 -0.75 4.58 4.76 2r9fA1 CYS 108 HB2 -0.72 0.07 -0.04 -0.04 2.97 2.23 2r9fA1 CYS 108 HB3 -0.29 0.09 -0.07 -0.04 2.97 2.66 2r9fA1 GLN 109 H 0.01 0.50 0.25 -0.55 8.47 8.68 2r9fA1 GLN 109 HA -0.06 -0.15 0.22 -0.75 4.36 3.61 2r9fA1 GLN 109 HB2 0.17 -0.03 -0.12 -0.04 2.15 2.13 2r9fA1 GLN 109 HB3 0.25 -0.02 0.00 -0.04 2.02 2.21 2r9fA1 GLN 109 HG2 0.05 0.35 -0.10 -0.04 2.40 2.66 2r9fA1 GLN 109 HG3 0.05 -0.16 -0.03 -0.04 2.39 2.20 2r9fA1 GLN 109 HE21 0.23 -0.27 0.05 -0.04 6.97 6.93 2r9fA1 GLN 109 HE22 0.10 0.41 0.14 -0.04 7.69 8.30 2r9fA1 GLY 110 H 0.03 -0.13 -0.13 -0.55 8.43 7.65 2r9fA1 GLY 110 HA2 0.04 0.24 0.72 -0.51 4.01 4.51 2r9fA1 GLY 110 HA3 0.08 0.15 0.31 -0.51 4.01 4.04 2r9fA1 ALA 111 H 0.02 0.72 0.21 -0.55 8.40 8.80 2r9fA1 ALA 111 HA -0.01 0.09 0.41 -0.75 4.34 4.08 2r9fA1 ALA 111 HB3 -0.07 0.00 0.11 -0.04 1.41 1.42 2r9fA1 LEU 112 H 0.07 0.60 0.18 -0.55 8.37 8.67 2r9fA1 LEU 112 HA 0.07 0.09 0.56 -0.75 4.35 4.32 2r9fA1 LEU 112 HB2 -0.03 0.15 -0.42 -0.04 1.64 1.30 2r9fA1 LEU 112 HB3 -0.00 -0.09 -0.21 -0.04 1.64 1.30 2r9fA1 LEU 112 HG -0.02 -0.10 -0.23 -0.04 1.64 1.25 2r9fA1 LEU 112 HD13 -0.12 0.05 -0.11 -0.04 0.93 0.70 2r9fA1 LEU 112 HD23 -0.29 0.04 -0.09 -0.04 0.89 0.50 2r9fA1 GLY 113 H 0.07 0.21 0.06 -0.55 8.43 8.22 2r9fA1 GLY 113 HA2 0.14 0.16 0.47 -0.51 4.01 4.27 2r9fA1 GLY 113 HA3 0.14 0.02 0.46 -0.51 4.01 4.12 2r9fA1 ASP 114 H 0.02 0.40 -0.56 -0.55 8.40 7.71 2r9fA1 ASP 114 HA -0.21 0.31 0.82 -0.75 4.63 4.79 2r9fA1 ASP 114 HB2 -0.65 -0.04 0.10 -0.04 2.71 2.08 2r9fA1 ASP 114 HB3 -0.13 0.10 -0.19 -0.04 2.70 2.44 2r9fA1 CYS 115 H 0.11 0.24 -0.28 -0.55 8.50 8.02 2r9fA1 CYS 115 HA -0.05 0.12 0.34 -0.75 4.58 4.24 2r9fA1 CYS 115 HB2 -0.28 0.13 0.15 -0.04 2.97 2.92 2r9fA1 CYS 115 HB3 0.27 0.12 0.13 -0.04 2.97 3.44 2r9fA1 TRP 116 H 0.23 0.16 -0.20 -0.55 7.97 7.61 2r9fA1 TRP 116 HA -0.15 0.03 0.32 -0.75 4.62 4.06 2r9fA1 TRP 116 HB2 -0.16 -0.09 -0.48 -0.04 3.23 2.46 2r9fA1 TRP 116 HB3 -0.10 0.09 -0.13 -0.04 3.23 3.04 2r9fA1 TRP 116 HD1 -0.03 -0.02 0.09 -0.04 7.22 7.22 2r9fA1 TRP 116 HE1 -0.01 0.59 -0.05 -0.04 10.20 10.70 2r9fA1 TRP 116 HE3 -0.17 -0.04 -0.40 -0.04 7.59 6.94 2r9fA1 TRP 116 HZ2 0.03 0.18 -0.02 -0.04 7.44 7.59 2r9fA1 TRP 116 HZ3 -0.05 0.01 -0.11 -0.04 7.13 6.94 2r9fA1 TRP 116 HH2 0.21 0.11 -0.07 -0.04 7.19 7.41 2r9fA1 LEU 117 H -1.61 0.18 -0.32 -0.55 8.37 6.07 2r9fA1 LEU 117 HA -0.63 0.04 0.42 -0.75 4.35 3.42 2r9fA1 LEU 117 HB2 -2.00 0.01 0.04 -0.04 1.64 -0.35 2r9fA1 LEU 117 HB3 -1.04 0.13 0.12 -0.04 1.64 0.81 2r9fA1 LEU 117 HG -0.48 -0.02 -0.35 -0.04 1.64 0.75 2r9fA1 LEU 117 HD13 -1.14 0.00 -0.03 -0.04 0.93 -0.28 2r9fA1 LEU 117 HD23 -0.50 0.02 -0.05 -0.04 0.89 0.32 2r9fA1 LEU 118 H -0.39 0.49 -0.08 -0.55 8.37 7.85 2r9fA1 LEU 118 HA -0.18 0.04 0.35 -0.75 4.35 3.80 2r9fA1 LEU 118 HB2 -0.13 0.03 0.09 -0.04 1.64 1.58 2r9fA1 LEU 118 HB3 -0.13 0.05 -0.01 -0.04 1.64 1.51 2r9fA1 LEU 118 HG -0.24 0.17 -0.01 -0.04 1.64 1.52 2r9fA1 LEU 118 HD13 -0.07 -0.01 -0.13 -0.04 0.93 0.68 2r9fA1 LEU 118 HD23 -0.20 -0.01 -0.10 -0.04 0.89 0.54 2r9fA1 ALA 119 H -0.14 0.68 -0.09 -0.55 8.40 8.30 2r9fA1 ALA 119 HA -0.05 0.05 0.46 -0.75 4.34 4.03 2r9fA1 ALA 119 HB3 -0.07 0.04 -0.14 -0.04 1.41 1.20 2r9fA1 ALA 120 H -0.02 0.35 -0.38 -0.55 8.40 7.81 2r9fA1 ALA 120 HA 0.53 -0.02 0.30 -0.75 4.34 4.39 2r9fA1 ALA 120 HB3 0.21 0.06 0.01 -0.04 1.41 1.65 2r9fA1 ILE 121 H 0.05 0.51 -0.04 -0.55 8.25 8.23 2r9fA1 ILE 121 HA -0.13 0.05 0.46 -0.75 4.18 3.80 2r9fA1 ILE 121 HB -0.10 0.04 0.07 -0.04 1.89 1.86 2r9fA1 ILE 121 HG12 -0.20 0.01 -0.05 -0.04 1.49 1.21 2r9fA1 ILE 121 HG13 0.05 0.17 0.01 -0.04 1.21 1.40 2r9fA1 ILE 121 HG23 -0.03 -0.01 -0.16 -0.04 0.93 0.69 2r9fA1 ILE 121 HD13 -0.15 -0.02 -0.13 -0.04 0.88 0.53 2r9fA1 ALA 122 H -0.01 0.65 -0.14 -0.55 8.40 8.35 2r9fA1 ALA 122 HA 0.02 -0.04 0.35 -0.75 4.34 3.92 2r9fA1 ALA 122 HB3 -0.03 0.02 0.13 -0.04 1.41 1.50 2r9fA1 SER 123 H 0.06 0.50 -0.17 -0.55 8.46 8.30 2r9fA1 SER 123 HA -0.02 0.02 0.41 -0.75 4.49 4.14 2r9fA1 SER 123 HB2 0.17 0.08 0.17 -0.04 3.95 4.32 2r9fA1 SER 123 HB3 -0.06 -0.08 0.09 -0.04 3.93 3.85 2r9fA1 LEU 124 H 0.02 0.54 -0.17 -0.55 8.37 8.21 2r9fA1 LEU 124 HA -0.06 -0.00 0.37 -0.75 4.35 3.91 2r9fA1 LEU 124 HB2 -0.08 0.03 0.10 -0.04 1.64 1.64 2r9fA1 LEU 124 HB3 -0.14 0.18 0.17 -0.04 1.64 1.81 2r9fA1 LEU 124 HG -0.19 -0.06 -0.19 -0.04 1.64 1.16 2r9fA1 LEU 124 HD13 -0.04 0.01 -0.08 -0.04 0.93 0.78 2r9fA1 LEU 124 HD23 -0.60 -0.00 -0.01 -0.04 0.89 0.23 2r9fA1 THR 125 H -0.03 0.46 -0.29 -0.55 8.28 7.87 2r9fA1 THR 125 HA -0.15 0.00 0.30 -0.75 4.39 3.79 2r9fA1 THR 125 HB -0.05 0.08 0.09 -0.04 4.32 4.40 2r9fA1 THR 125 HG23 0.11 0.07 -0.20 -0.04 1.22 1.15 2r9fA1 LEU 126 H -0.06 0.50 -0.46 -0.55 8.37 7.81 2r9fA1 LEU 126 HA -0.05 -0.00 0.52 -0.75 4.35 4.06 2r9fA1 LEU 126 HB2 -0.07 0.22 0.14 -0.04 1.64 1.88 2r9fA1 LEU 126 HB3 -0.06 -0.05 0.19 -0.04 1.64 1.68 2r9fA1 LEU 126 HG -0.05 0.02 0.07 -0.04 1.64 1.64 2r9fA1 LEU 126 HD13 -0.08 -0.02 0.11 -0.04 0.93 0.90 2r9fA1 LEU 126 HD23 -0.06 -0.03 0.06 -0.04 0.89 0.83 2r9fA1 ASN 127 H -0.08 0.57 -0.39 -0.55 8.53 8.08 2r9fA1 ASN 127 HA -0.05 0.11 0.92 -0.75 4.76 4.98 2r9fA1 ASN 127 HB2 -0.06 0.19 0.05 -0.04 2.88 3.02 2r9fA1 ASN 127 HB3 -0.06 0.04 0.25 -0.04 2.79 2.98 2r9fA1 ASN 127 HD21 -0.04 -0.07 0.08 -0.04 7.03 6.95 2r9fA1 ASN 127 HD22 -0.05 0.54 0.16 -0.04 7.74 8.35 2r9fA1 GLU 128 H -0.03 0.24 0.07 -0.55 8.60 8.34 2r9fA1 GLU 128 HA -0.05 0.12 0.35 -0.75 4.29 3.96 2r9fA1 GLU 128 HB2 0.02 0.08 0.12 -0.04 2.09 2.26 2r9fA1 GLU 128 HB3 0.01 -0.00 0.17 -0.04 1.99 2.12 2r9fA1 GLU 128 HG2 0.09 0.01 -0.41 -0.04 2.34 1.98 2r9fA1 GLU 128 HG3 0.14 -0.00 0.00 -0.04 2.34 2.44 2r9fA1 THR 129 H -0.02 0.12 -0.10 -0.55 8.28 7.74 2r9fA1 THR 129 HA 0.01 0.08 0.40 -0.75 4.39 4.13 2r9fA1 THR 129 HB -0.03 0.00 0.10 -0.04 4.32 4.36 2r9fA1 THR 129 HG23 -0.03 0.01 -0.09 -0.04 1.22 1.06 2r9fA1 ILE 130 H -0.05 0.17 -0.11 -0.55 8.25 7.72 2r9fA1 ILE 130 HA -0.07 0.00 0.48 -0.75 4.18 3.84 2r9fA1 ILE 130 HB -0.01 0.00 0.10 -0.04 1.89 1.93 2r9fA1 ILE 130 HG12 0.11 -0.01 0.08 -0.04 1.49 1.63 2r9fA1 ILE 130 HG13 0.07 0.02 0.06 -0.04 1.21 1.32 2r9fA1 ILE 130 HG23 -0.04 0.00 0.07 -0.04 0.93 0.92 2r9fA1 ILE 130 HD13 0.06 -0.00 0.14 -0.04 0.88 1.04 2r9fA1 LEU 131 H -0.12 0.62 -0.08 -0.55 8.37 8.25 2r9fA1 LEU 131 HA -0.24 0.02 0.39 -0.75 4.35 3.77 2r9fA1 LEU 131 HB2 -0.24 0.18 -0.03 -0.04 1.64 1.52 2r9fA1 LEU 131 HB3 -0.28 0.03 0.15 -0.04 1.64 1.50 2r9fA1 LEU 131 HG -0.98 -0.03 -0.23 -0.04 1.64 0.36 2r9fA1 LEU 131 HD13 -0.50 -0.04 -0.07 -0.04 0.93 0.28 2r9fA1 LEU 131 HD23 -0.46 -0.01 0.06 -0.04 0.89 0.44 2r9fA1 HIS 132 H -0.13 0.52 -0.19 -0.55 8.41 8.06 2r9fA1 HIS 132 HA -0.35 0.27 0.52 -0.75 4.63 4.30 2r9fA1 HIS 132 HB2 -0.26 0.09 0.12 -0.04 3.26 3.17 2r9fA1 HIS 132 HB3 -1.02 -0.08 0.14 -0.04 3.20 2.20 2r9fA1 HIS 132 HD2 -0.08 0.01 0.04 -0.04 6.97 6.90 2r9fA1 HIS 132 HE1 -0.28 -0.08 -0.03 -0.04 7.75 7.31 2r9fA1 ARG 133 H -0.11 0.21 -0.37 -0.55 8.46 7.64 2r9fA1 ARG 133 HA -0.12 0.00 0.77 -0.75 4.34 4.23 2r9fA1 ARG 133 HB2 -0.19 0.00 0.10 -0.04 1.90 1.76 2r9fA1 ARG 133 HB3 -0.18 0.00 0.11 -0.04 1.80 1.69 2r9fA1 ARG 133 HG2 -0.37 0.00 -0.18 -0.04 1.67 1.08 2r9fA1 ARG 133 HG3 -0.29 -0.04 0.04 -0.04 1.67 1.33 2r9fA1 ARG 133 HD2 -0.53 -0.04 -0.03 -0.04 3.22 2.58 2r9fA1 ARG 133 HD3 -0.99 0.00 -0.06 -0.04 3.22 2.13 2r9fA1 VAL 134 H -0.06 0.44 -0.03 -0.55 8.24 8.04 2r9fA1 VAL 134 HA 0.18 0.19 0.58 -0.75 4.13 4.33 2r9fA1 VAL 134 HB -0.08 0.07 0.23 -0.04 2.12 2.30 2r9fA1 VAL 134 HG13 0.04 -0.01 -0.01 -0.04 0.97 0.94 2r9fA1 VAL 134 HG23 0.23 0.03 0.17 -0.04 0.95 1.34 2r9fA1 VAL 135 H -0.12 0.55 -0.02 -0.55 8.24 8.10 2r9fA1 VAL 135 HA 0.16 0.17 0.88 -0.75 4.13 4.59 2r9fA1 VAL 135 HB -0.34 0.02 0.12 -0.04 2.12 1.88 2r9fA1 VAL 135 HG13 0.13 -0.02 -0.06 -0.04 0.97 0.98 2r9fA1 VAL 135 HG23 0.13 -0.02 -0.09 -0.04 0.95 0.93 2r9fA1 PRO 136 HA -0.18 0.14 0.46 -0.51 4.44 4.35 2r9fA1 PRO 136 HB2 -0.44 -0.02 -0.04 -0.04 2.28 1.73 2r9fA1 PRO 136 HB3 -0.13 -0.02 0.05 -0.04 2.02 1.88 2r9fA1 PRO 136 HG2 -0.91 -0.07 -0.12 -0.04 2.03 0.89 2r9fA1 PRO 136 HG3 -0.21 0.10 -0.06 -0.04 2.03 1.83 2r9fA1 PRO 136 HD2 -0.55 0.25 0.27 -0.04 3.68 3.60 2r9fA1 PRO 136 HD3 -0.15 0.34 -0.16 -0.04 3.65 3.64 2r9fA1 TYR 137 H -0.05 0.10 0.20 -0.55 8.29 8.00 2r9fA1 TYR 137 HA -0.04 0.02 0.49 -0.75 4.56 4.27 2r9fA1 TYR 137 HB2 -0.06 0.01 0.12 -0.04 3.06 3.09 2r9fA1 TYR 137 HB3 -0.08 -0.03 0.08 -0.04 2.98 2.91 2r9fA1 TYR 137 HD2 -0.19 -0.03 0.08 -0.04 7.15 6.97 2r9fA1 TYR 137 HE2 -0.47 -0.02 0.02 -0.04 6.85 6.34 2r9fA1 GLY 138 H 0.15 0.08 0.19 -0.55 8.43 8.30 2r9fA1 GLY 138 HA2 0.06 -0.01 0.27 -0.51 4.01 3.82 2r9fA1 GLY 138 HA3 0.05 0.10 0.23 -0.51 4.01 3.88 2r9fA1 GLN 139 H -0.02 0.10 -0.01 -0.55 8.47 7.99 2r9fA1 GLN 139 HA -0.12 0.22 0.90 -0.75 4.36 4.60 2r9fA1 GLN 139 HB2 -1.08 -0.05 0.05 -0.04 2.15 1.03 2r9fA1 GLN 139 HB3 -0.45 -0.02 0.03 -0.04 2.02 1.55 2r9fA1 GLN 139 HG2 -0.17 0.02 -0.14 -0.04 2.40 2.07 2r9fA1 GLN 139 HG3 -0.23 0.18 -0.28 -0.04 2.39 2.02 2r9fA1 GLN 139 HE21 -0.77 0.39 0.19 -0.04 6.97 6.74 2r9fA1 GLN 139 HE22 -0.35 0.32 0.01 -0.04 7.69 7.62 2r9fA1 SER 140 H -0.10 0.36 0.17 -0.55 8.46 8.34 2r9fA1 SER 140 HA 0.12 0.02 0.74 -0.75 4.49 4.61 2r9fA1 SER 140 HB2 0.15 -0.06 0.12 -0.04 3.95 4.12 2r9fA1 SER 140 HB3 0.09 0.09 -0.51 -0.04 3.93 3.56 2r9fA1 PHE 141 H 0.32 0.13 0.13 -0.55 8.34 8.36 2r9fA1 PHE 141 HA -0.13 0.14 0.81 -0.75 4.62 4.68 2r9fA1 PHE 141 HB2 0.00 0.19 0.04 -0.04 3.15 3.34 2r9fA1 PHE 141 HB3 -0.29 0.06 0.13 -0.04 3.06 2.91 2r9fA1 PHE 141 HD2 -0.14 -0.05 -0.14 -0.04 7.28 6.91 2r9fA1 PHE 141 HE2 0.28 -0.01 -0.33 -0.04 7.38 7.28 2r9fA1 PHE 141 HZ -0.08 0.04 -0.15 -0.04 7.32 7.09 2r9fA1 GLN 142 H 0.13 -0.06 -0.33 -0.55 8.47 7.67 2r9fA1 GLN 142 HA 0.09 0.29 0.86 -0.75 4.36 4.85 2r9fA1 GLN 142 HB2 0.09 -0.03 0.15 -0.04 2.15 2.32 2r9fA1 GLN 142 HB3 0.07 0.01 0.17 -0.04 2.02 2.23 2r9fA1 GLN 142 HG2 0.08 0.03 0.01 -0.04 2.40 2.48 2r9fA1 GLN 142 HG3 0.09 0.14 -0.12 -0.04 2.39 2.46 2r9fA1 GLN 142 HE21 0.24 -0.04 0.05 -0.04 6.97 7.17 2r9fA1 GLN 142 HE22 0.15 0.17 -0.13 -0.04 7.69 7.84 2r9fA1 GLU 143 H 0.07 0.08 0.10 -0.55 8.60 8.30 2r9fA1 GLU 143 HA 0.06 0.06 0.33 -0.75 4.29 3.98 2r9fA1 GLU 143 HB2 0.04 0.01 0.13 -0.04 2.09 2.23 2r9fA1 GLU 143 HB3 0.04 -0.03 0.15 -0.04 1.99 2.11 2r9fA1 GLU 143 HG2 0.02 -0.00 -0.01 -0.04 2.34 2.30 2r9fA1 GLU 143 HG3 0.02 0.05 -0.23 -0.04 2.34 2.13 2r9fA1 GLY 144 H 0.04 0.17 0.20 -0.55 8.43 8.29 2r9fA1 GLY 144 HA2 -0.02 0.01 0.30 -0.51 4.01 3.79 2r9fA1 GLY 144 HA3 -0.02 0.08 0.42 -0.51 4.01 3.98 2r9fA1 TYR 145 H 0.15 0.46 -0.32 -0.55 8.29 8.03 2r9fA1 TYR 145 HA -0.14 -0.03 0.52 -0.75 4.56 4.15 2r9fA1 TYR 145 HB2 0.03 0.00 -0.12 -0.04 3.06 2.93 2r9fA1 TYR 145 HB3 0.05 0.14 0.01 -0.04 2.98 3.14 2r9fA1 TYR 145 HD2 -0.01 0.13 0.01 -0.04 7.15 7.24 2r9fA1 TYR 145 HE2 0.32 0.02 -0.04 -0.04 6.85 7.10 2r9fA1 ALA 146 H -0.50 0.03 0.24 -0.55 8.40 7.63 2r9fA1 ALA 146 HA -0.37 0.24 0.59 -0.75 4.34 4.04 2r9fA1 ALA 146 HB3 -0.19 0.03 0.09 -0.04 1.41 1.30 2r9fA1 GLY 147 H -1.47 0.13 0.13 -0.55 8.43 6.68 2r9fA1 GLY 147 HA2 -0.02 0.01 0.31 -0.51 4.01 3.81 2r9fA1 GLY 147 HA3 -0.07 0.10 0.37 -0.51 4.01 3.89 2r9fA1 ILE 148 H -0.35 0.07 -0.05 -0.55 8.25 7.37 2r9fA1 ILE 148 HA 0.28 0.31 0.97 -0.75 4.18 4.99 2r9fA1 ILE 148 HB -0.13 0.01 -0.18 -0.04 1.89 1.54 2r9fA1 ILE 148 HG12 0.09 0.04 -0.19 -0.04 1.49 1.40 2r9fA1 ILE 148 HG13 -0.01 0.10 -0.05 -0.04 1.21 1.21 2r9fA1 ILE 148 HG23 -0.35 -0.03 -0.10 -0.04 0.93 0.42 2r9fA1 ILE 148 HD13 -0.89 -0.02 -0.13 -0.04 0.88 -0.21 2r9fA1 PHE 149 H 0.40 0.72 0.30 -0.55 8.34 9.21 2r9fA1 PHE 149 HA 0.03 0.12 0.68 -0.75 4.62 4.70 2r9fA1 PHE 149 HB2 0.31 0.04 -0.07 -0.04 3.15 3.38 2r9fA1 PHE 149 HB3 -0.07 0.05 0.05 -0.04 3.06 3.05 2r9fA1 PHE 149 HD2 -0.22 0.03 -0.24 -0.04 7.28 6.81 2r9fA1 PHE 149 HE2 -0.19 -0.09 -0.23 -0.04 7.38 6.83 2r9fA1 PHE 149 HZ -1.18 -0.02 -0.25 -0.04 7.32 5.83 2r9fA1 HIS 150 H -0.33 0.28 0.19 -0.55 8.41 8.00 2r9fA1 HIS 150 HA 0.03 0.30 0.82 -0.75 4.63 5.03 2r9fA1 HIS 150 HB2 -0.12 0.04 -0.01 -0.04 3.26 3.13 2r9fA1 HIS 150 HB3 -0.29 -0.08 -0.19 -0.04 3.20 2.60 2r9fA1 HIS 150 HD2 -1.34 -0.07 -0.05 -0.04 6.97 5.47 2r9fA1 HIS 150 HE1 -0.18 0.01 -0.08 -0.04 7.75 7.46 2r9fA1 PHE 151 H 0.21 0.56 0.40 -0.55 8.34 8.96 2r9fA1 PHE 151 HA -0.05 0.28 0.88 -0.75 4.62 4.97 2r9fA1 PHE 151 HB2 0.14 -0.07 -0.00 -0.04 3.15 3.17 2r9fA1 PHE 151 HB3 0.14 0.13 0.14 -0.04 3.06 3.43 2r9fA1 PHE 151 HD2 0.16 0.09 -0.11 -0.04 7.28 7.38 2r9fA1 PHE 151 HE2 0.35 -0.04 -0.18 -0.04 7.38 7.47 2r9fA1 PHE 151 HZ 0.46 -0.08 -0.10 -0.04 7.32 7.56 2r9fA1 GLN 152 H 0.24 0.63 0.41 -0.55 8.47 9.21 2r9fA1 GLN 152 HA 0.26 0.30 1.21 -0.75 4.36 5.38 2r9fA1 GLN 152 HB2 0.16 0.17 0.08 -0.04 2.15 2.52 2r9fA1 GLN 152 HB3 0.31 -0.06 -0.03 -0.04 2.02 2.20 2r9fA1 GLN 152 HG2 0.15 -0.04 -0.23 -0.04 2.40 2.24 2r9fA1 GLN 152 HG3 0.02 0.07 -0.10 -0.04 2.39 2.34 2r9fA1 GLN 152 HE21 0.09 -0.07 -0.03 -0.04 6.97 6.93 2r9fA1 GLN 152 HE22 0.16 -0.05 -0.09 -0.04 7.69 7.68 2r9fA1 LEU 153 H 0.30 0.57 0.38 -0.55 8.37 9.08 2r9fA1 LEU 153 HA 0.43 0.26 0.95 -0.75 4.35 5.24 2r9fA1 LEU 153 HB2 -0.02 -0.07 -0.02 -0.04 1.64 1.49 2r9fA1 LEU 153 HB3 -0.00 0.08 0.02 -0.04 1.64 1.70 2r9fA1 LEU 153 HG 0.21 -0.06 -0.39 -0.04 1.64 1.35 2r9fA1 LEU 153 HD13 -0.11 -0.02 -0.15 -0.04 0.93 0.62 2r9fA1 LEU 153 HD23 0.46 0.05 -0.06 -0.04 0.89 1.30 2r9fA1 TRP 154 H 0.02 0.81 0.26 -0.55 7.97 8.51 2r9fA1 TRP 154 HA -0.85 0.19 0.82 -0.75 4.62 4.02 2r9fA1 TRP 154 HB2 -1.75 -0.00 -0.11 -0.04 3.23 1.33 2r9fA1 TRP 154 HB3 -0.51 0.02 0.19 -0.04 3.23 2.88 2r9fA1 TRP 154 HD1 -0.24 -0.02 -0.14 -0.04 7.22 6.78 2r9fA1 TRP 154 HE1 -0.15 -0.01 -0.07 -0.04 10.20 9.93 2r9fA1 TRP 154 HE3 -1.98 0.02 -0.31 -0.04 7.59 5.27 2r9fA1 TRP 154 HZ2 -0.09 -0.00 -0.06 -0.04 7.44 7.24 2r9fA1 TRP 154 HZ3 -0.15 -0.03 -0.20 -0.04 7.13 6.70 2r9fA1 TRP 154 HH2 -0.05 0.07 -0.13 -0.04 7.19 7.04 2r9fA1 GLN 155 H -0.71 0.92 0.35 -0.55 8.47 8.48 2r9fA1 GLN 155 HA -0.70 0.09 0.85 -0.75 4.36 3.84 2r9fA1 GLN 155 HB2 -0.49 0.02 -0.07 -0.04 2.15 1.57 2r9fA1 GLN 155 HB3 -1.37 -0.00 -0.08 -0.04 2.02 0.53 2r9fA1 GLN 155 HG2 -0.36 -0.01 -0.59 -0.04 2.40 1.39 2r9fA1 GLN 155 HG3 -0.52 0.01 -0.13 -0.04 2.39 1.70 2r9fA1 GLN 155 HE21 -0.32 -0.10 0.09 -0.04 6.97 6.59 2r9fA1 GLN 155 HE22 -0.35 0.69 0.36 -0.04 7.69 8.34 2r9fA1 PHE 156 H -0.72 0.17 0.14 -0.55 8.34 7.38 2r9fA1 PHE 156 HA -0.22 0.03 0.33 -0.75 4.62 4.01 2r9fA1 PHE 156 HB2 -0.18 0.13 0.14 -0.04 3.15 3.19 2r9fA1 PHE 156 HB3 -0.13 0.01 0.18 -0.04 3.06 3.08 2r9fA1 PHE 156 HD2 -0.09 0.04 -0.08 -0.04 7.28 7.11 2r9fA1 PHE 156 HE2 -0.02 0.01 -0.02 -0.04 7.38 7.32 2r9fA1 PHE 156 HZ 0.05 0.10 0.02 -0.04 7.32 7.45 2r9fA1 GLY 157 H -0.74 0.02 -0.35 -0.55 8.43 6.82 2r9fA1 GLY 157 HA2 -0.85 -0.01 0.19 -0.51 4.01 2.82 2r9fA1 GLY 157 HA3 -0.28 0.07 0.45 -0.51 4.01 3.74 2r9fA1 GLU 158 H -0.95 0.39 -0.23 -0.55 8.60 7.26 2r9fA1 GLU 158 HA -0.20 0.12 0.76 -0.75 4.29 4.21 2r9fA1 GLU 158 HB2 -0.08 0.07 -0.08 -0.04 2.09 1.96 2r9fA1 GLU 158 HB3 0.02 0.02 -0.02 -0.04 1.99 1.97 2r9fA1 GLU 158 HG2 -0.11 0.08 -0.52 -0.04 2.34 1.74 2r9fA1 GLU 158 HG3 0.00 -0.05 -0.10 -0.04 2.34 2.15 2r9fA1 TRP 159 H 0.39 0.15 0.12 -0.55 7.97 8.09 2r9fA1 TRP 159 HA 0.22 0.26 0.93 -0.75 4.62 5.28 2r9fA1 TRP 159 HB2 0.19 -0.01 0.14 -0.04 3.23 3.51 2r9fA1 TRP 159 HB3 0.17 0.01 -0.05 -0.04 3.23 3.32 2r9fA1 TRP 159 HD1 0.32 -0.00 -0.03 -0.04 7.22 7.47 2r9fA1 TRP 159 HE1 -0.03 0.02 -0.09 -0.04 10.20 10.05 2r9fA1 TRP 159 HE3 0.21 0.06 -0.36 -0.04 7.59 7.46 2r9fA1 TRP 159 HZ2 -0.08 0.18 -0.23 -0.04 7.44 7.28 2r9fA1 TRP 159 HZ3 0.22 0.12 -0.34 -0.04 7.13 7.09 2r9fA1 TRP 159 HH2 0.12 0.18 -0.47 -0.04 7.19 6.98 2r9fA1 VAL 160 H 0.24 0.80 0.35 -0.55 8.24 9.08 2r9fA1 VAL 160 HA 0.20 0.29 0.99 -0.75 4.13 4.86 2r9fA1 VAL 160 HB 0.20 -0.02 0.00 -0.04 2.12 2.26 2r9fA1 VAL 160 HG13 0.13 0.01 -0.25 -0.04 0.97 0.82 2r9fA1 VAL 160 HG23 -0.04 0.01 -0.05 -0.04 0.95 0.82 2r9fA1 ASP 161 H 0.19 0.58 0.20 -0.55 8.40 8.83 2r9fA1 ASP 161 HA 0.21 0.30 0.98 -0.75 4.63 5.36 2r9fA1 ASP 161 HB2 0.17 0.02 -0.03 -0.04 2.71 2.83 2r9fA1 ASP 161 HB3 0.16 -0.08 0.04 -0.04 2.70 2.78 2r9fA1 VAL 162 H 0.22 0.82 0.37 -0.55 8.24 9.11 2r9fA1 VAL 162 HA 0.29 0.10 0.92 -0.75 4.13 4.68 2r9fA1 VAL 162 HB 0.20 -0.01 0.09 -0.04 2.12 2.36 2r9fA1 VAL 162 HG13 0.15 0.05 -0.09 -0.04 0.97 1.03 2r9fA1 VAL 162 HG23 -0.06 0.01 -0.18 -0.04 0.95 0.68 2r9fA1 VAL 163 H 0.27 0.14 0.15 -0.55 8.24 8.25 2r9fA1 VAL 163 HA 0.28 0.29 1.04 -0.75 4.13 4.98 2r9fA1 VAL 163 HB 0.15 0.06 0.02 -0.04 2.12 2.32 2r9fA1 VAL 163 HG13 0.13 -0.01 -0.18 -0.04 0.97 0.86 2r9fA1 VAL 163 HG23 0.25 -0.02 -0.16 -0.04 0.95 0.98 2r9fA1 VAL 164 H 0.40 0.59 0.30 -0.55 8.24 8.98 2r9fA1 VAL 164 HA 0.43 0.07 0.41 -0.75 4.13 4.28 2r9fA1 VAL 164 HB 0.43 0.21 0.06 -0.04 2.12 2.78 2r9fA1 VAL 164 HG13 0.29 -0.01 -0.26 -0.04 0.97 0.96 2r9fA1 VAL 164 HG23 0.53 -0.02 -0.18 -0.04 0.95 1.24 2r9fA1 ASP 165 H 0.35 0.10 0.11 -0.55 8.40 8.42 2r9fA1 ASP 165 HA 0.53 0.34 0.94 -0.75 4.63 5.69 2r9fA1 ASP 165 HB2 0.17 0.28 0.21 -0.04 2.71 3.33 2r9fA1 ASP 165 HB3 -0.09 -0.16 -0.10 -0.04 2.70 2.31 2r9fA1 ASP 166 H 0.38 0.34 0.12 -0.55 8.40 8.70 2r9fA1 ASP 166 HA 0.43 0.25 0.55 -0.75 4.63 5.10 2r9fA1 ASP 166 HB2 0.43 -0.01 0.11 -0.04 2.71 3.20 2r9fA1 ASP 166 HB3 0.74 -0.01 -0.15 -0.04 2.70 3.24 2r9fA1 LEU 167 H 0.29 0.04 -0.35 -0.55 8.37 7.80 2r9fA1 LEU 167 HA 0.29 0.02 0.24 -0.75 4.35 4.15 2r9fA1 LEU 167 HB2 0.23 -0.00 -0.01 -0.04 1.64 1.82 2r9fA1 LEU 167 HB3 0.47 0.01 -0.20 -0.04 1.64 1.88 2r9fA1 LEU 167 HG 0.17 -0.07 -0.07 -0.04 1.64 1.63 2r9fA1 LEU 167 HD13 -0.01 0.01 0.01 -0.04 0.93 0.90 2r9fA1 LEU 167 HD23 0.17 -0.01 -0.20 -0.04 0.89 0.81 2r9fA1 LEU 168 H 0.25 0.52 0.18 -0.55 8.37 8.78 2r9fA1 LEU 168 HA 0.28 0.21 0.85 -0.75 4.35 4.93 2r9fA1 LEU 168 HB2 0.12 0.06 0.04 -0.04 1.64 1.82 2r9fA1 LEU 168 HB3 0.10 0.00 -0.03 -0.04 1.64 1.66 2r9fA1 LEU 168 HG 0.28 0.09 -0.53 -0.04 1.64 1.43 2r9fA1 LEU 168 HD13 0.24 -0.03 -0.07 -0.04 0.93 1.03 2r9fA1 LEU 168 HD23 0.31 -0.00 -0.14 -0.04 0.89 1.01 2r9fA1 PRO 169 HA -0.85 0.09 0.37 -0.51 4.44 3.55 2r9fA1 PRO 169 HB2 -0.73 -0.12 0.10 -0.04 2.28 1.48 2r9fA1 PRO 169 HB3 -0.77 0.06 0.01 -0.04 2.02 1.28 2r9fA1 PRO 169 HG2 -0.55 0.01 0.03 -0.04 2.03 1.48 2r9fA1 PRO 169 HG3 -1.58 0.08 -0.04 -0.04 2.03 0.45 2r9fA1 PRO 169 HD2 -0.12 0.02 0.18 -0.04 3.68 3.73 2r9fA1 PRO 169 HD3 -0.01 0.21 0.19 -0.04 3.65 4.00 2r9fA1 THR 170 H -0.32 0.53 0.35 -0.55 8.28 8.29 2r9fA1 THR 170 HA -0.22 0.20 0.93 -0.75 4.39 4.55 2r9fA1 THR 170 HB -0.09 -0.07 -0.23 -0.04 4.32 3.88 2r9fA1 THR 170 HG23 -0.05 0.05 -0.35 -0.04 1.22 0.82 2r9fA1 LYS 171 H -0.16 0.74 0.19 -0.55 8.42 8.63 2r9fA1 LYS 171 HA -0.11 0.19 0.67 -0.75 4.32 4.32 2r9fA1 LYS 171 HB2 -0.18 0.01 -0.16 -0.04 1.87 1.50 2r9fA1 LYS 171 HB3 -0.15 0.01 0.03 -0.04 1.79 1.64 2r9fA1 LYS 171 HG2 -0.09 -0.03 -0.13 -0.04 1.46 1.17 2r9fA1 LYS 171 HG3 -0.08 0.16 0.07 -0.04 1.46 1.57 2r9fA1 LYS 171 HD2 -0.11 0.00 -0.09 -0.04 1.69 1.45 2r9fA1 LYS 171 HD3 -0.11 -0.02 -0.05 -0.04 1.68 1.45 2r9fA1 LYS 171 HE2 -0.05 0.03 0.03 -0.04 2.99 2.95 2r9fA1 LYS 171 HE3 -0.06 -0.03 -0.01 -0.04 2.99 2.85 2r9fA1 ASP 172 H -0.06 0.23 0.12 -0.55 8.40 8.14 2r9fA1 ASP 172 HA -0.04 0.04 0.34 -0.75 4.63 4.21 2r9fA1 ASP 172 HB2 -0.07 0.15 0.00 -0.04 2.71 2.75 2r9fA1 ASP 172 HB3 -0.05 0.01 0.21 -0.04 2.70 2.82 2r9fA1 GLY 173 H -0.06 0.04 -0.37 -0.55 8.43 7.49 2r9fA1 GLY 173 HA2 -0.03 -0.00 0.18 -0.51 4.01 3.65 2r9fA1 GLY 173 HA3 -0.03 0.11 0.29 -0.51 4.01 3.86 2r9fA1 LYS 174 H -0.09 0.39 -0.44 -0.55 8.42 7.73 2r9fA1 LYS 174 HA -0.08 0.15 0.86 -0.75 4.32 4.50 2r9fA1 LYS 174 HB2 -0.14 0.04 0.00 -0.04 1.87 1.73 2r9fA1 LYS 174 HB3 -0.18 0.04 0.02 -0.04 1.79 1.63 2r9fA1 LYS 174 HG2 -0.08 0.15 -0.14 -0.04 1.46 1.34 2r9fA1 LYS 174 HG3 -0.11 -0.04 -0.02 -0.04 1.46 1.25 2r9fA1 LYS 174 HD2 -0.13 -0.02 0.00 -0.04 1.69 1.51 2r9fA1 LYS 174 HD3 -0.08 0.07 -0.09 -0.04 1.68 1.54 2r9fA1 LYS 174 HE2 -0.06 0.05 -0.03 -0.04 2.99 2.91 2r9fA1 LYS 174 HE3 -0.08 -0.04 -0.01 -0.04 2.99 2.82 2r9fA1 LEU 175 H -0.10 0.12 0.11 -0.55 8.37 7.96 2r9fA1 LEU 175 HA -0.13 0.17 0.55 -0.75 4.35 4.18 2r9fA1 LEU 175 HB2 -0.07 0.02 0.02 -0.04 1.64 1.56 2r9fA1 LEU 175 HB3 -0.03 -0.01 -0.10 -0.04 1.64 1.46 2r9fA1 LEU 175 HG 0.07 -0.03 0.04 -0.04 1.64 1.69 2r9fA1 LEU 175 HD13 0.03 0.03 0.07 -0.04 0.93 1.02 2r9fA1 LEU 175 HD23 0.12 0.01 -0.06 -0.04 0.89 0.91 2r9fA1 VAL 176 H -0.38 0.46 0.21 -0.55 8.24 7.99 2r9fA1 VAL 176 HA -0.34 0.14 0.63 -0.75 4.13 3.81 2r9fA1 VAL 176 HB -1.18 -0.03 -0.01 -0.04 2.12 0.86 2r9fA1 VAL 176 HG13 -0.80 -0.02 -0.10 -0.04 0.97 0.00 2r9fA1 VAL 176 HG23 -0.40 0.02 -0.25 -0.04 0.95 0.27 2r9fA1 PHE 177 H -0.32 0.10 -0.05 -0.55 8.34 7.52 2r9fA1 PHE 177 HA -0.08 -0.04 0.61 -0.75 4.62 4.35 2r9fA1 PHE 177 HB2 -0.14 0.10 0.12 -0.04 3.15 3.19 2r9fA1 PHE 177 HB3 -0.05 -0.09 0.08 -0.04 3.06 2.96 2r9fA1 PHE 177 HD2 -0.56 -0.01 -0.21 -0.04 7.28 6.47 2r9fA1 PHE 177 HE2 -0.53 0.15 -0.04 -0.04 7.38 6.92 2r9fA1 PHE 177 HZ -0.24 -0.01 -0.06 -0.04 7.32 6.97 2r9fA1 VAL 178 H 0.15 0.04 0.06 -0.55 8.24 7.94 2r9fA1 VAL 178 HA -0.08 0.22 0.29 -0.75 4.13 3.81 2r9fA1 VAL 178 HB -0.08 -0.12 0.02 -0.04 2.12 1.91 2r9fA1 VAL 178 HG13 -0.13 -0.01 -0.28 -0.04 0.97 0.50 2r9fA1 VAL 178 HG23 -0.23 0.03 -0.18 -0.04 0.95 0.53 2r9fA1 HIS 179 H -0.49 0.64 0.29 -0.55 8.41 8.30 2r9fA1 HIS 179 HA -0.19 0.01 0.57 -0.75 4.63 4.26 2r9fA1 HIS 179 HB2 -0.16 0.01 0.10 -0.04 3.26 3.16 2r9fA1 HIS 179 HB3 -0.12 0.03 -0.10 -0.04 3.20 2.97 2r9fA1 HIS 179 HD2 -0.10 0.09 -0.32 -0.04 6.97 6.60 2r9fA1 HIS 179 HE1 -0.09 0.04 -0.17 -0.04 7.75 7.49 2r9fA1 SER 180 H -0.18 0.20 0.17 -0.55 8.46 8.10 2r9fA1 SER 180 HA -0.19 0.19 0.73 -0.75 4.49 4.47 2r9fA1 SER 180 HB2 -0.27 -0.04 0.16 -0.04 3.95 3.76 2r9fA1 SER 180 HB3 -0.19 0.30 0.21 -0.04 3.93 4.21 2r9fA1 ALA 181 H -0.06 0.44 0.20 -0.55 8.40 8.43 2r9fA1 ALA 181 HA 0.02 0.11 0.52 -0.75 4.34 4.23 2r9fA1 ALA 181 HB3 -0.00 0.00 0.10 -0.04 1.41 1.47 2r9fA1 GLN 182 H -0.04 0.04 -0.26 -0.55 8.47 7.66 2r9fA1 GLN 182 HA -0.02 0.11 0.69 -0.75 4.36 4.39 2r9fA1 GLN 182 HB2 0.01 0.06 0.03 -0.04 2.15 2.21 2r9fA1 GLN 182 HB3 -0.02 -0.03 0.14 -0.04 2.02 2.07 2r9fA1 GLN 182 HG2 0.03 0.00 -0.05 -0.04 2.40 2.34 2r9fA1 GLN 182 HG3 -0.01 -0.17 -0.16 -0.04 2.39 2.00 2r9fA1 GLN 182 HE21 0.01 0.05 -0.02 -0.04 6.97 6.98 2r9fA1 GLN 182 HE22 0.01 -0.06 -0.06 -0.04 7.69 7.54 2r9fA1 GLY 183 H -0.04 0.20 0.07 -0.55 8.43 8.12 2r9fA1 GLY 183 HA2 -0.12 0.19 0.16 -0.51 4.01 3.73 2r9fA1 GLY 183 HA3 -0.07 0.05 0.29 -0.51 4.01 3.77 2r9fA1 ASN 184 H -0.07 -0.01 -0.51 -0.55 8.53 7.39 2r9fA1 ASN 184 HA -0.00 0.27 0.94 -0.75 4.76 5.21 2r9fA1 ASN 184 HB2 0.09 0.05 0.13 -0.04 2.88 3.11 2r9fA1 ASN 184 HB3 0.03 -0.01 -0.04 -0.04 2.79 2.73 2r9fA1 ASN 184 HD21 0.06 -0.06 -0.06 -0.04 7.03 6.93 2r9fA1 ASN 184 HD22 0.06 0.24 0.02 -0.04 7.74 8.03 2r9fA1 GLU 185 H -0.31 0.55 -0.08 -0.55 8.60 8.22 2r9fA1 GLU 185 HA 0.06 0.32 0.87 -0.75 4.29 4.78 2r9fA1 GLU 185 HB2 0.02 -0.08 -0.03 -0.04 2.09 1.96 2r9fA1 GLU 185 HB3 -0.11 0.12 0.19 -0.04 1.99 2.15 2r9fA1 GLU 185 HG2 -0.00 -0.09 -0.17 -0.04 2.34 2.03 2r9fA1 GLU 185 HG3 0.23 0.06 -0.06 -0.04 2.34 2.53 2r9fA1 PHE 186 H 0.26 0.42 0.38 -0.55 8.34 8.84 2r9fA1 PHE 186 HA -0.05 0.18 0.90 -0.75 4.62 4.90 2r9fA1 PHE 186 HB2 0.37 0.03 -0.02 -0.04 3.15 3.49 2r9fA1 PHE 186 HB3 0.17 -0.04 0.04 -0.04 3.06 3.20 2r9fA1 PHE 186 HD2 -0.01 0.05 -0.08 -0.04 7.28 7.19 2r9fA1 PHE 186 HE2 -0.08 0.01 -0.06 -0.04 7.38 7.21 2r9fA1 PHE 186 HZ -0.07 0.08 -0.01 -0.04 7.32 7.27 2r9fA1 TRP 187 H 0.04 0.47 0.26 -0.55 7.97 8.19 2r9fA1 TRP 187 HA -0.44 0.04 0.28 -0.75 4.62 3.74 2r9fA1 TRP 187 HB2 -0.67 0.04 0.03 -0.04 3.23 2.59 2r9fA1 TRP 187 HB3 -1.26 0.11 0.07 -0.04 3.23 2.11 2r9fA1 TRP 187 HD1 -0.19 0.12 0.21 -0.04 7.22 7.32 2r9fA1 TRP 187 HE1 -0.10 0.02 0.11 -0.04 10.20 10.18 2r9fA1 TRP 187 HE3 -0.09 -0.01 -0.28 -0.04 7.59 7.17 2r9fA1 TRP 187 HZ2 -0.11 0.09 -0.13 -0.04 7.44 7.25 2r9fA1 TRP 187 HZ3 -0.19 0.03 -0.12 -0.04 7.13 6.81 2r9fA1 TRP 187 HH2 -0.16 0.07 -0.20 -0.04 7.19 6.85 2r9fA1 SER 188 H -1.42 0.14 -0.21 -0.55 8.46 6.43 2r9fA1 SER 188 HA -0.94 0.07 0.32 -0.75 4.49 3.19 2r9fA1 SER 188 HB2 -0.78 -0.03 -0.09 -0.04 3.95 3.01 2r9fA1 SER 188 HB3 -2.10 -0.00 -0.07 -0.04 3.93 1.71 2r9fA1 ALA 189 H -0.28 0.13 -0.23 -0.55 8.40 7.48 2r9fA1 ALA 189 HA -0.03 0.01 0.41 -0.75 4.34 3.98 2r9fA1 ALA 189 HB3 0.11 0.06 0.08 -0.04 1.41 1.62 2r9fA1 LEU 190 H 0.07 0.49 -0.28 -0.55 8.37 8.10 2r9fA1 LEU 190 HA 0.23 0.07 0.32 -0.75 4.35 4.22 2r9fA1 LEU 190 HB2 0.49 0.07 0.05 -0.04 1.64 2.22 2r9fA1 LEU 190 HB3 0.60 -0.04 -0.08 -0.04 1.64 2.08 2r9fA1 LEU 190 HG 0.25 0.02 -0.07 -0.04 1.64 1.80 2r9fA1 LEU 190 HD13 -0.17 -0.03 -0.18 -0.04 0.93 0.50 2r9fA1 LEU 190 HD23 0.32 0.00 -0.14 -0.04 0.89 1.04 2r9fA1 LEU 191 H -0.24 0.62 -0.05 -0.55 8.37 8.15 2r9fA1 LEU 191 HA -1.34 0.04 0.36 -0.75 4.35 2.66 2r9fA1 LEU 191 HB2 -0.40 0.04 0.04 -0.04 1.64 1.28 2r9fA1 LEU 191 HB3 -0.27 0.02 0.10 -0.04 1.64 1.45 2r9fA1 LEU 191 HG -0.11 -0.05 -0.30 -0.04 1.64 1.14 2r9fA1 LEU 191 HD13 -0.08 0.00 -0.04 -0.04 0.93 0.77 2r9fA1 LEU 191 HD23 -0.03 -0.00 -0.09 -0.04 0.89 0.73 2r9fA1 GLU 192 H -0.17 0.67 -0.10 -0.55 8.60 8.44 2r9fA1 GLU 192 HA -0.09 -0.02 0.46 -0.75 4.29 3.88 2r9fA1 GLU 192 HB2 -0.11 -0.00 0.08 -0.04 2.09 2.01 2r9fA1 GLU 192 HB3 0.03 0.17 0.12 -0.04 1.99 2.26 2r9fA1 GLU 192 HG2 0.09 0.03 -0.17 -0.04 2.34 2.25 2r9fA1 GLU 192 HG3 -0.09 -0.05 0.01 -0.04 2.34 2.16 2r9fA1 LYS 193 H 0.07 0.49 -0.32 -0.55 8.42 8.10 2r9fA1 LYS 193 HA -0.10 -0.03 0.40 -0.75 4.32 3.84 2r9fA1 LYS 193 HB2 0.38 0.03 0.09 -0.04 1.87 2.33 2r9fA1 LYS 193 HB3 0.26 0.12 0.11 -0.04 1.79 2.25 2r9fA1 LYS 193 HG2 0.42 -0.05 -0.16 -0.04 1.46 1.63 2r9fA1 LYS 193 HG3 0.62 -0.06 0.02 -0.04 1.46 2.00 2r9fA1 LYS 193 HD2 0.53 0.05 -0.03 -0.04 1.69 2.19 2r9fA1 LYS 193 HD3 0.45 0.02 -0.03 -0.04 1.68 2.08 2r9fA1 LYS 193 HE2 0.64 -0.08 0.01 -0.04 2.99 3.51 2r9fA1 LYS 193 HE3 0.76 -0.06 -0.03 -0.04 2.99 3.62 2r9fA1 ALA 194 H -0.01 0.59 -0.10 -0.55 8.40 8.33 2r9fA1 ALA 194 HA 0.02 0.04 0.39 -0.75 4.34 4.03 2r9fA1 ALA 194 HB3 0.12 0.01 -0.04 -0.04 1.41 1.47 2r9fA1 TYR 195 H 0.03 0.58 -0.22 -0.55 8.29 8.12 2r9fA1 TYR 195 HA -0.13 0.02 0.47 -0.75 4.56 4.17 2r9fA1 TYR 195 HB2 -0.06 0.08 0.04 -0.04 3.06 3.09 2r9fA1 TYR 195 HB3 -0.15 0.03 0.06 -0.04 2.98 2.89 2r9fA1 TYR 195 HD2 -0.09 0.05 -0.16 -0.04 7.15 6.90 2r9fA1 TYR 195 HE2 -0.10 0.01 -0.06 -0.04 6.85 6.66 2r9fA1 ALA 196 H -0.14 0.63 -0.15 -0.55 8.40 8.20 2r9fA1 ALA 196 HA -0.12 0.01 0.32 -0.75 4.34 3.80 2r9fA1 ALA 196 HB3 -0.51 0.01 -0.07 -0.04 1.41 0.81 2r9fA1 LYS 197 H -0.53 0.53 -0.30 -0.55 8.42 7.57 2r9fA1 LYS 197 HA -1.67 0.02 0.19 -0.75 4.32 2.11 2r9fA1 LYS 197 HB2 -0.98 0.01 0.07 -0.04 1.87 0.93 2r9fA1 LYS 197 HB3 -0.32 0.14 0.16 -0.04 1.79 1.73 2r9fA1 LYS 197 HG2 0.03 -0.03 -0.28 -0.04 1.46 1.14 2r9fA1 LYS 197 HG3 -0.20 0.04 -0.05 -0.04 1.46 1.21 2r9fA1 LYS 197 HD2 0.17 -0.05 -0.01 -0.04 1.69 1.76 2r9fA1 LYS 197 HD3 0.14 0.05 0.01 -0.04 1.68 1.83 2r9fA1 LYS 197 HE2 0.38 -0.05 -0.06 -0.04 2.99 3.22 2r9fA1 LYS 197 HE3 0.23 0.01 -0.19 -0.04 2.99 3.01 2r9fA1 VAL 198 H -0.32 0.46 -0.16 -0.55 8.24 7.67 2r9fA1 VAL 198 HA -0.18 0.01 0.35 -0.75 4.13 3.56 2r9fA1 VAL 198 HB -0.49 -0.08 0.05 -0.04 2.12 1.56 2r9fA1 VAL 198 HG13 -0.57 0.04 0.00 -0.04 0.97 0.41 2r9fA1 VAL 198 HG23 -0.55 0.03 -0.03 -0.04 0.95 0.35 2r9fA1 ASN 199 H -0.23 0.36 -0.49 -0.55 8.53 7.63 2r9fA1 ASN 199 HA -0.07 0.08 0.80 -0.75 4.76 4.82 2r9fA1 ASN 199 HB2 -0.05 0.12 0.05 -0.04 2.88 2.96 2r9fA1 ASN 199 HB3 0.03 -0.08 0.07 -0.04 2.79 2.76 2r9fA1 ASN 199 HD21 -0.78 -0.13 -0.07 -0.04 7.03 6.01 2r9fA1 ASN 199 HD22 -0.50 0.56 0.01 -0.04 7.74 7.77 2r9fA1 GLY 200 H -0.05 0.45 -0.20 -0.55 8.43 8.08 2r9fA1 GLY 200 HA2 0.13 0.04 0.33 -0.51 4.01 3.99 2r9fA1 GLY 200 HA3 0.09 0.05 0.58 -0.51 4.01 4.22 2r9fA1 SER 201 H 0.14 0.31 -0.22 -0.55 8.46 8.14 2r9fA1 SER 201 HA 0.51 0.26 0.41 -0.75 4.49 4.92 2r9fA1 SER 201 HB2 0.33 -0.03 -0.52 -0.04 3.95 3.69 2r9fA1 SER 201 HB3 0.32 0.34 -0.19 -0.04 3.93 4.35 2r9fA1 TYR 202 H 0.42 0.62 0.24 -0.55 8.29 9.02 2r9fA1 TYR 202 HA -0.01 0.04 0.59 -0.75 4.56 4.43 2r9fA1 TYR 202 HB2 -0.07 0.19 0.32 -0.04 3.06 3.46 2r9fA1 TYR 202 HB3 -0.57 -0.11 0.02 -0.04 2.98 2.28 2r9fA1 TYR 202 HD2 -0.12 0.04 0.02 -0.04 7.15 7.05 2r9fA1 TYR 202 HE2 0.21 -0.01 -0.07 -0.04 6.85 6.93 2r9fA1 GLU 203 H 0.19 0.61 0.08 -0.55 8.60 8.94 2r9fA1 GLU 203 HA 0.03 -0.01 0.34 -0.75 4.29 3.90 2r9fA1 GLU 203 HB2 -0.07 0.06 0.19 -0.04 2.09 2.23 2r9fA1 GLU 203 HB3 -0.02 0.02 0.13 -0.04 1.99 2.08 2r9fA1 GLU 203 HG2 -0.27 0.16 -0.05 -0.04 2.34 2.13 2r9fA1 GLU 203 HG3 -0.14 0.04 0.12 -0.04 2.34 2.32 2r9fA1 ALA 204 H 0.27 0.14 -0.49 -0.55 8.40 7.78 2r9fA1 ALA 204 HA 0.28 0.01 0.41 -0.75 4.34 4.28 2r9fA1 ALA 204 HB3 0.15 0.05 0.03 -0.04 1.41 1.61 2r9fA1 LEU 205 H 0.17 0.51 -0.54 -0.55 8.37 7.96 2r9fA1 LEU 205 HA 0.51 0.12 0.57 -0.75 4.35 4.81 2r9fA1 LEU 205 HB2 0.07 0.09 0.01 -0.04 1.64 1.77 2r9fA1 LEU 205 HB3 0.05 -0.20 0.03 -0.04 1.64 1.48 2r9fA1 LEU 205 HG 0.08 0.19 0.05 -0.04 1.64 1.92 2r9fA1 LEU 205 HD13 -0.05 -0.04 -0.06 -0.04 0.93 0.73 2r9fA1 LEU 205 HD23 0.30 0.02 -0.21 -0.04 0.89 0.95 2r9fA1 SER 206 H 0.19 0.56 -0.25 -0.55 8.46 8.41 2r9fA1 SER 206 HA 0.23 -0.15 0.37 -0.75 4.49 4.19 2r9fA1 SER 206 HB2 0.10 0.16 0.23 -0.04 3.95 4.40 2r9fA1 SER 206 HB3 0.10 -0.04 0.10 -0.04 3.93 4.04 2r9fA1 GLY 207 H 0.33 0.52 0.35 -0.55 8.43 9.09 2r9fA1 GLY 207 HA2 0.07 -0.10 0.51 -0.51 4.01 3.98 2r9fA1 GLY 207 HA3 0.02 0.12 0.67 -0.51 4.01 4.30 2r9fA1 GLY 208 H -0.33 0.15 0.23 -0.55 8.43 7.94 2r9fA1 GLY 208 HA2 -0.83 0.20 0.49 -0.51 4.01 3.36 2r9fA1 GLY 208 HA3 -2.69 0.09 0.26 -0.51 4.01 1.15 2r9fA1 CYS 209 H -1.14 0.29 0.10 -0.55 8.50 7.19 2r9fA1 CYS 209 HA -0.25 0.00 0.89 -0.75 4.58 4.46 2r9fA1 CYS 209 HB2 -0.28 0.00 0.11 -0.04 2.97 2.76 2r9fA1 CYS 209 HB3 -0.21 0.00 0.01 -0.04 2.97 2.73 2r9fA1 THR 210 H -0.08 0.26 0.11 -0.55 8.28 8.02 2r9fA1 THR 210 HA 0.00 0.17 0.33 -0.75 4.39 4.14 2r9fA1 THR 210 HB -0.28 -0.01 0.02 -0.04 4.32 4.01 2r9fA1 THR 210 HG23 -0.66 0.08 -0.08 -0.04 1.22 0.52 2r9fA1 SER 211 H -0.19 0.07 -0.25 -0.55 8.46 7.54 2r9fA1 SER 211 HA -0.10 0.09 0.26 -0.75 4.49 3.99 2r9fA1 SER 211 HB2 -0.05 -0.04 -0.05 -0.04 3.95 3.77 2r9fA1 SER 211 HB3 0.06 0.09 -0.11 -0.04 3.93 3.93 2r9fA1 GLU 212 H -0.09 0.14 -0.36 -0.55 8.60 7.75 2r9fA1 GLU 212 HA 0.01 0.09 0.50 -0.75 4.29 4.14 2r9fA1 GLU 212 HB2 -0.13 0.09 0.15 -0.04 2.09 2.17 2r9fA1 GLU 212 HB3 -0.01 0.09 -0.02 -0.04 1.99 2.01 2r9fA1 GLU 212 HG2 -0.08 0.06 0.02 -0.04 2.34 2.30 2r9fA1 GLU 212 HG3 -0.14 -0.13 0.02 -0.04 2.34 2.04 2r9fA1 ALA 213 H 0.15 0.25 -0.12 -0.55 8.40 8.14 2r9fA1 ALA 213 HA -0.11 0.10 0.47 -0.75 4.34 4.05 2r9fA1 ALA 213 HB3 -0.12 0.03 0.03 -0.04 1.41 1.31 2r9fA1 PHE 214 H -0.00 0.49 -0.13 -0.55 8.34 8.15 2r9fA1 PHE 214 HA 0.15 0.07 0.33 -0.75 4.62 4.42 2r9fA1 PHE 214 HB2 0.06 0.09 0.09 -0.04 3.15 3.35 2r9fA1 PHE 214 HB3 0.07 -0.02 -0.14 -0.04 3.06 2.93 2r9fA1 PHE 214 HD2 0.11 -0.00 -0.16 -0.04 7.28 7.18 2r9fA1 PHE 214 HE2 0.07 0.03 -0.26 -0.04 7.38 7.18 2r9fA1 PHE 214 HZ 0.04 0.01 -0.61 -0.04 7.32 6.72 2r9fA1 GLU 215 H 0.17 0.58 -0.18 -0.55 8.60 8.62 2r9fA1 GLU 215 HA 0.07 -0.06 0.42 -0.75 4.29 3.97 2r9fA1 GLU 215 HB2 0.09 0.13 0.19 -0.04 2.09 2.45 2r9fA1 GLU 215 HB3 0.13 -0.02 0.01 -0.04 1.99 2.08 2r9fA1 GLU 215 HG2 0.07 0.14 0.01 -0.04 2.34 2.52 2r9fA1 GLU 215 HG3 0.12 -0.03 0.02 -0.04 2.34 2.41 2r9fA1 ASP 216 H 0.02 0.49 -0.15 -0.55 8.40 8.22 2r9fA1 ASP 216 HA 0.06 0.21 0.54 -0.75 4.63 4.69 2r9fA1 ASP 216 HB2 -0.14 0.02 0.17 -0.04 2.71 2.71 2r9fA1 ASP 216 HB3 -0.05 -0.04 0.13 -0.04 2.70 2.69 2r9fA1 PHE 217 H 0.08 0.35 -0.52 -0.55 8.34 7.69 2r9fA1 PHE 217 HA 0.28 0.18 1.00 -0.75 4.62 5.32 2r9fA1 PHE 217 HB2 0.17 0.06 0.05 -0.04 3.15 3.38 2r9fA1 PHE 217 HB3 0.16 -0.05 0.12 -0.04 3.06 3.25 2r9fA1 PHE 217 HD2 0.18 0.04 -0.09 -0.04 7.28 7.37 2r9fA1 PHE 217 HE2 0.03 -0.04 -0.15 -0.04 7.38 7.18 2r9fA1 PHE 217 HZ -0.22 -0.06 -0.10 -0.04 7.32 6.90 2r9fA1 THR 218 H 0.15 0.27 -0.08 -0.55 8.28 8.07 2r9fA1 THR 218 HA 0.46 0.23 1.04 -0.75 4.39 5.36 2r9fA1 THR 218 HB 0.07 -0.07 -0.05 -0.04 4.32 4.23 2r9fA1 THR 218 HG23 0.14 0.01 -0.23 -0.04 1.22 1.10 2r9fA1 GLY 219 H -0.24 0.68 0.34 -0.55 8.43 8.66 2r9fA1 GLY 219 HA2 -1.45 0.02 0.35 -0.51 4.01 2.41 2r9fA1 GLY 219 HA3 -1.54 0.05 0.50 -0.51 4.01 2.52 2r9fA1 GLY 220 H -0.12 -0.05 -0.31 -0.55 8.43 7.40 2r9fA1 GLY 220 HA2 -0.10 0.14 0.49 -0.51 4.01 4.02 2r9fA1 GLY 220 HA3 -0.05 0.04 0.13 -0.51 4.01 3.62 2r9fA1 VAL 221 H -0.02 0.55 0.23 -0.55 8.24 8.45 2r9fA1 VAL 221 HA 0.01 0.12 0.76 -0.75 4.13 4.26 2r9fA1 VAL 221 HB 0.00 -0.02 0.17 -0.04 2.12 2.23 2r9fA1 VAL 221 HG13 0.01 0.00 -0.10 -0.04 0.97 0.84 2r9fA1 VAL 221 HG23 -0.02 0.02 -0.02 -0.04 0.95 0.89 2r9fA1 THR 222 H 0.06 0.18 0.20 -0.55 8.28 8.17 2r9fA1 THR 222 HA 0.11 0.31 1.15 -0.75 4.39 5.21 2r9fA1 THR 222 HB 0.16 -0.04 -0.06 -0.04 4.32 4.34 2r9fA1 THR 222 HG23 0.20 0.01 -0.14 -0.04 1.22 1.25 2r9fA1 GLU 223 H 0.14 0.69 0.45 -0.55 8.60 9.33 2r9fA1 GLU 223 HA 0.06 0.12 0.76 -0.75 4.29 4.47 2r9fA1 GLU 223 HB2 -0.21 0.02 0.12 -0.04 2.09 1.99 2r9fA1 GLU 223 HB3 -0.02 0.05 -0.10 -0.04 1.99 1.88 2r9fA1 GLU 223 HG2 0.11 0.13 0.13 -0.04 2.34 2.66 2r9fA1 GLU 223 HG3 0.03 -0.05 -0.19 -0.04 2.34 2.09 2r9fA1 TRP 224 H -0.11 0.25 0.24 -0.55 7.97 7.80 2r9fA1 TRP 224 HA 0.08 0.30 1.03 -0.75 4.62 5.28 2r9fA1 TRP 224 HB2 0.05 0.02 0.12 -0.04 3.23 3.37 2r9fA1 TRP 224 HB3 0.02 -0.07 -0.05 -0.04 3.23 3.09 2r9fA1 TRP 224 HD1 -0.04 -0.01 -0.01 -0.04 7.22 7.12 2r9fA1 TRP 224 HE1 -0.04 0.04 -0.02 -0.04 10.20 10.14 2r9fA1 TRP 224 HE3 0.04 0.06 -0.20 -0.04 7.59 7.46 2r9fA1 TRP 224 HZ2 -0.02 0.03 -0.04 -0.04 7.44 7.38 2r9fA1 TRP 224 HZ3 0.02 0.01 -0.09 -0.04 7.13 7.03 2r9fA1 TRP 224 HH2 -0.00 0.02 -0.04 -0.04 7.19 7.13 2r9fA1 TYR 225 H 0.44 0.55 0.38 -0.55 8.29 9.11 2r9fA1 TYR 225 HA -0.40 0.18 0.91 -0.75 4.56 4.49 2r9fA1 TYR 225 HB2 0.08 -0.07 0.04 -0.04 3.06 3.07 2r9fA1 TYR 225 HB3 -0.02 0.05 -0.10 -0.04 2.98 2.86 2r9fA1 TYR 225 HD2 0.01 0.04 -0.13 -0.04 7.15 7.02 2r9fA1 TYR 225 HE2 -0.01 0.00 -0.12 -0.04 6.85 6.68 2r9fA1 ASP 226 H -0.29 0.24 0.11 -0.55 8.40 7.91 2r9fA1 ASP 226 HA 0.31 0.22 0.85 -0.75 4.63 5.25 2r9fA1 ASP 226 HB2 -0.09 0.03 0.11 -0.04 2.71 2.72 2r9fA1 ASP 226 HB3 -0.09 0.05 0.20 -0.04 2.70 2.82 2r9fA1 LEU 227 H 0.12 0.74 0.21 -0.55 8.37 8.89 2r9fA1 LEU 227 HA 0.03 -0.02 0.08 -0.75 4.35 3.69 2r9fA1 LEU 227 HB2 -0.05 0.13 -0.08 -0.04 1.64 1.59 2r9fA1 LEU 227 HB3 -0.16 0.06 0.02 -0.04 1.64 1.52 2r9fA1 LEU 227 HG 0.08 -0.00 -0.43 -0.04 1.64 1.24 2r9fA1 LEU 227 HD13 -0.40 -0.03 -0.43 -0.04 0.93 0.03 2r9fA1 LEU 227 HD23 0.09 -0.03 -0.22 -0.04 0.89 0.69 2r9fA1 GLN 228 H 0.04 0.04 -0.27 -0.55 8.47 7.74 2r9fA1 GLN 228 HA -0.01 0.20 0.68 -0.75 4.36 4.47 2r9fA1 GLN 228 HB2 0.03 -0.07 0.08 -0.04 2.15 2.16 2r9fA1 GLN 228 HB3 0.01 0.00 0.11 -0.04 2.02 2.10 2r9fA1 GLN 228 HG2 0.00 -0.04 0.05 -0.04 2.40 2.38 2r9fA1 GLN 228 HG3 -0.01 0.07 0.08 -0.04 2.39 2.48 2r9fA1 GLN 228 HE21 -0.07 0.42 0.04 -0.04 6.97 7.32 2r9fA1 GLN 228 HE22 -0.06 0.13 0.02 -0.04 7.69 7.74 2r9fA1 LYS 229 H 0.02 0.44 -0.39 -0.55 8.42 7.93 2r9fA1 LYS 229 HA 0.01 0.17 0.69 -0.75 4.32 4.43 2r9fA1 LYS 229 HB2 -0.01 -0.05 0.11 -0.04 1.87 1.88 2r9fA1 LYS 229 HB3 -0.01 -0.02 0.16 -0.04 1.79 1.89 2r9fA1 LYS 229 HG2 0.01 0.10 -0.03 -0.04 1.46 1.50 2r9fA1 LYS 229 HG3 0.02 -0.10 -0.40 -0.04 1.46 0.93 2r9fA1 LYS 229 HD2 0.01 -0.05 -0.01 -0.04 1.69 1.60 2r9fA1 LYS 229 HD3 -0.00 0.00 0.01 -0.04 1.68 1.65 2r9fA1 LYS 229 HE2 0.01 0.04 -0.02 -0.04 2.99 2.98 2r9fA1 LYS 229 HE3 0.02 -0.02 -0.04 -0.04 2.99 2.91 2r9fA1 ALA 230 H 0.02 0.22 -0.23 -0.55 8.40 7.86 2r9fA1 ALA 230 HA 0.07 0.04 0.32 -0.75 4.34 4.02 2r9fA1 ALA 230 HB3 0.06 -0.01 0.04 -0.04 1.41 1.45 2r9fA1 PRO 231 HA 0.04 0.13 0.56 -0.51 4.44 4.66 2r9fA1 PRO 231 HB2 0.04 -0.17 -0.02 -0.04 2.28 2.09 2r9fA1 PRO 231 HB3 0.06 0.12 0.13 -0.04 2.02 2.28 2r9fA1 PRO 231 HG2 0.02 -0.10 0.03 -0.04 2.03 1.93 2r9fA1 PRO 231 HG3 0.18 0.11 0.05 -0.04 2.03 2.33 2r9fA1 PRO 231 HD2 0.10 0.03 0.19 -0.04 3.68 3.96 2r9fA1 PRO 231 HD3 0.13 0.25 0.20 -0.04 3.65 4.19 2r9fA1 SER 232 H 0.03 0.19 0.16 -0.55 8.46 8.30 2r9fA1 SER 232 HA 0.06 0.15 0.36 -0.75 4.49 4.30 2r9fA1 SER 232 HB2 0.03 0.02 0.07 -0.04 3.95 4.02 2r9fA1 SER 232 HB3 0.03 0.08 0.12 -0.04 3.93 4.12 2r9fA1 ASP 233 H 0.03 0.08 -0.35 -0.55 8.40 7.61 2r9fA1 ASP 233 HA 0.01 0.21 0.78 -0.75 4.63 4.87 2r9fA1 ASP 233 HB2 -0.01 -0.02 0.13 -0.04 2.71 2.76 2r9fA1 ASP 233 HB3 0.00 0.07 -0.01 -0.04 2.70 2.72 2r9fA1 LEU 234 H 0.05 0.55 -0.44 -0.55 8.37 7.98 2r9fA1 LEU 234 HA -0.11 0.04 0.25 -0.75 4.35 3.77 2r9fA1 LEU 234 HB2 0.05 0.13 0.05 -0.04 1.64 1.84 2r9fA1 LEU 234 HB3 0.30 0.02 -0.01 -0.04 1.64 1.91 2r9fA1 LEU 234 HG 0.12 -0.04 -0.23 -0.04 1.64 1.45 2r9fA1 LEU 234 HD13 -0.58 -0.01 -0.03 -0.04 0.93 0.27 2r9fA1 LEU 234 HD23 0.15 0.01 -0.10 -0.04 0.89 0.91 2r9fA1 TYR 235 H -0.09 0.19 -0.24 -0.55 8.29 7.61 2r9fA1 TYR 235 HA -0.64 0.07 0.38 -0.75 4.56 3.61 2r9fA1 TYR 235 HB2 -1.12 0.01 0.04 -0.04 3.06 1.95 2r9fA1 TYR 235 HB3 -0.37 0.04 -0.00 -0.04 2.98 2.60 2r9fA1 TYR 235 HD2 -0.81 0.02 -0.10 -0.04 7.15 6.21 2r9fA1 TYR 235 HE2 -0.17 0.07 -0.14 -0.04 6.85 6.57 2r9fA1 GLN 236 H -0.08 0.19 -0.29 -0.55 8.47 7.75 2r9fA1 GLN 236 HA -0.18 0.04 0.41 -0.75 4.36 3.88 2r9fA1 GLN 236 HB2 -0.05 0.12 0.12 -0.04 2.15 2.30 2r9fA1 GLN 236 HB3 -0.06 0.02 -0.01 -0.04 2.02 1.93 2r9fA1 GLN 236 HG2 -0.01 -0.07 0.00 -0.04 2.40 2.28 2r9fA1 GLN 236 HG3 -0.02 0.04 0.01 -0.04 2.39 2.38 2r9fA1 GLN 236 HE21 -0.00 0.03 -0.04 -0.04 6.97 6.91 2r9fA1 GLN 236 HE22 0.03 -0.03 -0.05 -0.04 7.69 7.60 2r9fA1 ILE 237 H -0.12 0.45 -0.12 -0.55 8.25 7.92 2r9fA1 ILE 237 HA -0.09 0.04 0.44 -0.75 4.18 3.82 2r9fA1 ILE 237 HB -0.19 0.11 0.10 -0.04 1.89 1.87 2r9fA1 ILE 237 HG12 -0.02 0.01 -0.03 -0.04 1.49 1.41 2r9fA1 ILE 237 HG13 -0.06 0.08 -0.07 -0.04 1.21 1.12 2r9fA1 ILE 237 HG23 -0.10 -0.00 -0.17 -0.04 0.93 0.62 2r9fA1 ILE 237 HD13 -0.01 -0.02 -0.11 -0.04 0.88 0.70 2r9fA1 ILE 238 H -0.24 0.56 -0.17 -0.55 8.25 7.84 2r9fA1 ILE 238 HA -0.17 0.03 0.38 -0.75 4.18 3.66 2r9fA1 ILE 238 HB -0.43 0.10 0.13 -0.04 1.89 1.65 2r9fA1 ILE 238 HG12 -0.12 -0.02 -0.07 -0.04 1.49 1.25 2r9fA1 ILE 238 HG13 -0.17 0.05 -0.04 -0.04 1.21 1.01 2r9fA1 ILE 238 HG23 -0.27 -0.01 -0.19 -0.04 0.93 0.41 2r9fA1 ILE 238 HD13 0.05 -0.03 -0.14 -0.04 0.88 0.71 2r9fA1 LEU 239 H -0.42 0.58 -0.04 -0.55 8.37 7.94 2r9fA1 LEU 239 HA -0.26 0.02 0.44 -0.75 4.35 3.79 2r9fA1 LEU 239 HB2 -0.25 0.08 0.18 -0.04 1.64 1.60 2r9fA1 LEU 239 HB3 -0.18 -0.00 -0.02 -0.04 1.64 1.40 2r9fA1 LEU 239 HG -0.85 0.07 0.04 -0.04 1.64 0.86 2r9fA1 LEU 239 HD13 -0.16 -0.04 -0.08 -0.04 0.93 0.62 2r9fA1 LEU 239 HD23 -0.23 -0.02 -0.01 -0.04 0.89 0.58 2r9fA1 LYS 240 H -0.15 0.56 -0.20 -0.55 8.42 8.08 2r9fA1 LYS 240 HA -0.08 0.02 0.40 -0.75 4.32 3.90 2r9fA1 LYS 240 HB2 -0.08 0.04 0.11 -0.04 1.87 1.89 2r9fA1 LYS 240 HB3 -0.08 0.10 0.13 -0.04 1.79 1.90 2r9fA1 LYS 240 HG2 -0.05 0.00 -0.17 -0.04 1.46 1.20 2r9fA1 LYS 240 HG3 -0.05 -0.03 0.03 -0.04 1.46 1.37 2r9fA1 LYS 240 HD2 -0.04 -0.02 -0.02 -0.04 1.69 1.56 2r9fA1 LYS 240 HD3 -0.03 -0.01 -0.04 -0.04 1.68 1.56 2r9fA1 LYS 240 HE2 -0.03 0.02 -0.04 -0.04 2.99 2.90 2r9fA1 LYS 240 HE3 -0.03 -0.00 -0.02 -0.04 2.99 2.90 2r9fA1 ALA 241 H -0.10 0.55 -0.13 -0.55 8.40 8.17 2r9fA1 ALA 241 HA -0.06 -0.01 0.40 -0.75 4.34 3.92 2r9fA1 ALA 241 HB3 -0.07 0.01 0.01 -0.04 1.41 1.32 2r9fA1 LEU 242 H -0.12 0.61 -0.13 -0.55 8.37 8.17 2r9fA1 LEU 242 HA -0.10 0.11 0.39 -0.75 4.35 4.00 2r9fA1 LEU 242 HB2 -0.13 0.09 0.14 -0.04 1.64 1.69 2r9fA1 LEU 242 HB3 -0.10 -0.01 -0.02 -0.04 1.64 1.47 2r9fA1 LEU 242 HG -0.14 0.01 -0.05 -0.04 1.64 1.42 2r9fA1 LEU 242 HD13 -0.17 -0.06 -0.27 -0.04 0.93 0.39 2r9fA1 LEU 242 HD23 -0.12 0.03 -0.17 -0.04 0.89 0.59 2r9fA1 GLU 243 H -0.09 0.53 -0.17 -0.55 8.60 8.33 2r9fA1 GLU 243 HA -0.05 0.02 0.41 -0.75 4.29 3.91 2r9fA1 GLU 243 HB2 -0.06 -0.04 0.13 -0.04 2.09 2.08 2r9fA1 GLU 243 HB3 -0.06 0.11 0.21 -0.04 1.99 2.21 2r9fA1 GLU 243 HG2 -0.04 -0.06 -0.01 -0.04 2.34 2.19 2r9fA1 GLU 243 HG3 -0.04 0.01 -0.29 -0.04 2.34 1.98 2r9fA1 ARG 244 H -0.06 0.42 -0.17 -0.55 8.46 8.09 2r9fA1 ARG 244 HA -0.04 0.00 0.56 -0.75 4.34 4.11 2r9fA1 ARG 244 HB2 -0.04 -0.02 0.12 -0.04 1.90 1.92 2r9fA1 ARG 244 HB3 -0.04 0.00 0.07 -0.04 1.80 1.79 2r9fA1 ARG 244 HG2 -0.05 0.16 0.05 -0.04 1.67 1.79 2r9fA1 ARG 244 HG3 -0.05 0.05 0.13 -0.04 1.67 1.76 2r9fA1 ARG 244 HD2 -0.04 -0.10 0.00 -0.04 3.22 3.05 2r9fA1 ARG 244 HD3 -0.03 0.03 -0.03 -0.04 3.22 3.15 2r9fA1 GLY 245 H -0.06 0.42 -0.39 -0.55 8.43 7.85 2r9fA1 GLY 245 HA2 -0.07 0.14 0.31 -0.51 4.01 3.88 2r9fA1 GLY 245 HA3 -0.05 -0.01 0.66 -0.51 4.01 4.09 2r9fA1 SER 246 H -0.07 0.25 -0.01 -0.55 8.46 8.08 2r9fA1 SER 246 HA -0.10 0.03 0.57 -0.75 4.49 4.24 2r9fA1 SER 246 HB2 -0.08 -0.07 -0.05 -0.04 3.95 3.71 2r9fA1 SER 246 HB3 -0.09 0.07 -0.02 -0.04 3.93 3.85 2r9fA1 LEU 247 H -0.26 0.42 0.28 -0.55 8.37 8.26 2r9fA1 LEU 247 HA -0.27 0.25 0.83 -0.75 4.35 4.40 2r9fA1 LEU 247 HB2 -1.31 -0.15 0.09 -0.04 1.64 0.23 2r9fA1 LEU 247 HB3 -0.97 -0.01 -0.01 -0.04 1.64 0.61 2r9fA1 LEU 247 HG -0.23 0.01 -0.01 -0.04 1.64 1.37 2r9fA1 LEU 247 HD13 -0.03 -0.01 -0.05 -0.04 0.93 0.80 2r9fA1 LEU 247 HD23 -0.12 0.04 -0.30 -0.04 0.89 0.47 2r9fA1 LEU 248 H -0.13 0.33 0.23 -0.55 8.37 8.25 2r9fA1 LEU 248 HA 0.09 0.37 1.18 -0.75 4.35 5.24 2r9fA1 LEU 248 HB2 -0.06 0.10 0.11 -0.04 1.64 1.75 2r9fA1 LEU 248 HB3 0.01 -0.05 0.03 -0.04 1.64 1.59 2r9fA1 LEU 248 HG -0.03 0.02 -0.21 -0.04 1.64 1.38 2r9fA1 LEU 248 HD13 -0.11 -0.03 -0.45 -0.04 0.93 0.30 2r9fA1 LEU 248 HD23 -0.08 -0.02 -0.09 -0.04 0.89 0.65 2r9fA1 GLY 249 H 0.30 0.59 0.43 -0.55 8.43 9.20 2r9fA1 GLY 249 HA2 0.13 0.14 0.96 -0.51 4.01 4.74 2r9fA1 GLY 249 HA3 0.21 -0.03 0.39 -0.51 4.01 4.07 2r9fA1 CYS 250 H 0.11 0.60 0.36 -0.55 8.50 9.02 2r9fA1 CYS 250 HA 0.16 0.19 0.90 -0.75 4.58 5.08 2r9fA1 CYS 250 HB2 0.03 0.04 0.20 -0.04 2.97 3.20 2r9fA1 CYS 250 HB3 0.15 0.01 -0.01 -0.04 2.97 3.08 2r9fA1 SER 251 H 0.26 0.51 0.42 -0.55 8.46 9.10 2r9fA1 SER 251 HA 0.41 0.28 0.74 -0.75 4.49 5.17 2r9fA1 SER 251 HB2 0.12 -0.05 0.01 -0.04 3.95 4.00 2r9fA1 SER 251 HB3 0.13 0.06 -0.20 -0.04 3.93 3.88 2r9fA1 ILE 252 H 0.09 0.26 0.26 -0.55 8.25 8.30 2r9fA1 ILE 252 HA -0.07 0.06 1.03 -0.75 4.18 4.44 2r9fA1 ILE 252 HB -0.12 -0.07 0.17 -0.04 1.89 1.83 2r9fA1 ILE 252 HG12 -0.81 0.26 -0.07 -0.04 1.49 0.83 2r9fA1 ILE 252 HG13 -0.81 -0.17 -0.21 -0.04 1.21 -0.02 2r9fA1 ILE 252 HG23 -0.14 0.09 -0.03 -0.04 0.93 0.80 2r9fA1 ILE 252 HD13 -0.60 0.03 -0.18 -0.04 0.88 0.09 2r9fA1 ASN 253 H -0.02 0.16 0.13 -0.55 8.53 8.25 2r9fA1 ASN 253 HA -0.01 0.04 0.51 -0.75 4.76 4.54 2r9fA1 ASN 253 HB2 -0.01 -0.01 0.05 -0.04 2.88 2.87 2r9fA1 ASN 253 HB3 -0.01 0.03 0.05 -0.04 2.79 2.81 2r9fA1 ASN 253 HD21 -0.01 0.10 -0.17 -0.04 7.03 6.91 2r9fA1 ASN 253 HD22 -0.00 -0.03 -0.15 -0.04 7.74 7.52 2r9fA1 ILE 254 H -0.01 0.18 0.15 -0.55 8.25 8.02 2r9fA1 ILE 254 HA -0.01 0.10 0.79 -0.75 4.18 4.30 2r9fA1 ILE 254 HB -0.00 0.07 0.13 -0.04 1.89 2.05 2r9fA1 ILE 254 HG12 -0.00 0.05 -0.09 -0.04 1.49 1.40 2r9fA1 ILE 254 HG13 0.01 -0.10 -0.08 -0.04 1.21 1.00 2r9fA1 ILE 254 HG23 -0.01 0.03 -0.38 -0.04 0.93 0.53 2r9fA1 ILE 254 HD13 0.02 0.05 -0.12 -0.04 0.88 0.79 2r9fA1 SER 255 H -0.01 0.19 0.02 -0.55 8.46 8.11 2r9fA1 SER 255 HA -0.01 0.17 0.38 -0.75 4.49 4.28 2r9fA1 SER 255 HB2 -0.00 -0.02 0.07 -0.04 3.95 3.95 2r9fA1 SER 255 HB3 0.00 0.05 -0.04 -0.04 3.93 3.90 2r9fA1 ASP 256 H -0.00 -0.07 -0.02 -0.55 8.40 7.75 2r9fA1 ASP 256 HA 0.00 0.25 0.67 -0.75 4.63 4.79 2r9fA1 ASP 256 HB2 0.00 0.01 0.11 -0.04 2.71 2.79 2r9fA1 ASP 256 HB3 -0.00 -0.28 0.09 -0.04 2.70 2.47 2r9fA1 ILE 257 H -0.00 -0.10 -0.12 -0.55 8.25 7.48 2r9fA1 ILE 257 HA -0.00 0.15 0.16 -0.75 4.18 3.74 2r9fA1 ILE 257 HB -0.00 0.45 0.51 -0.04 1.89 2.81 2r9fA1 ILE 257 HG12 -0.00 0.03 0.07 -0.04 1.49 1.54 2r9fA1 ILE 257 HG13 -0.00 0.02 0.03 -0.04 1.21 1.22 2r9fA1 ILE 257 HG23 -0.00 -0.03 -0.16 -0.04 0.93 0.70 2r9fA1 ILE 257 HD13 0.00 -0.01 -0.09 -0.04 0.88 0.74 2r9fA1 ARG 258 H -0.00 -0.25 0.15 -0.55 8.46 7.81 2r9fA1 ARG 258 HA -0.01 0.09 0.11 -0.75 4.34 3.78 2r9fA1 ARG 258 HB2 -0.00 -0.05 0.07 -0.04 1.90 1.88 2r9fA1 ARG 258 HB3 0.00 0.18 0.26 -0.04 1.80 2.21 2r9fA1 ARG 258 HG2 0.00 0.07 -0.49 -0.04 1.67 1.21 2r9fA1 ARG 258 HG3 -0.00 -0.03 -0.27 -0.04 1.67 1.32 2r9fA1 ARG 258 HD2 0.00 -0.00 -0.04 -0.04 3.22 3.14 2r9fA1 ARG 258 HD3 0.00 0.03 -0.08 -0.04 3.22 3.13 2r9fA1 ASP 259 H -0.01 -0.21 0.11 -0.55 8.40 7.75 2r9fA1 ASP 259 HA -0.01 0.14 0.17 -0.75 4.63 4.18 2r9fA1 ASP 259 HB2 -0.00 -0.11 0.16 -0.04 2.71 2.72 2r9fA1 ASP 259 HB3 0.00 0.11 0.01 -0.04 2.70 2.78 2r9fA1 LEU 260 H -0.02 0.01 -0.02 -0.55 8.37 7.79 2r9fA1 LEU 260 HA -0.07 0.12 0.49 -0.75 4.35 4.13 2r9fA1 LEU 260 HB2 -0.02 -0.09 0.13 -0.04 1.64 1.62 2r9fA1 LEU 260 HB3 -0.09 0.04 0.11 -0.04 1.64 1.65 2r9fA1 LEU 260 HG -0.40 0.02 0.12 -0.04 1.64 1.35 2r9fA1 LEU 260 HD13 0.16 0.01 0.02 -0.04 0.93 1.09 2r9fA1 LEU 260 HD23 0.18 -0.01 0.05 -0.04 0.89 1.07 2r9fA1 GLU 261 H -0.05 0.43 -0.85 -0.55 8.60 7.57 2r9fA1 GLU 261 HA -0.04 0.07 0.31 -0.75 4.29 3.88 2r9fA1 GLU 261 HB2 -0.14 0.15 -0.10 -0.04 2.09 1.96 2r9fA1 GLU 261 HB3 -0.07 -0.16 0.18 -0.04 1.99 1.90 2r9fA1 GLU 261 HG2 -0.04 -0.00 0.06 -0.04 2.34 2.32 2r9fA1 GLU 261 HG3 -0.03 -0.08 0.13 -0.04 2.34 2.32 2r9fA1 ALA 262 H -0.01 0.12 0.13 -0.55 8.40 8.09 2r9fA1 ALA 262 HA 0.00 0.07 0.64 -0.75 4.34 4.30 2r9fA1 ALA 262 HB3 0.04 0.01 0.11 -0.04 1.41 1.53 2r9fA1 ILE 263 H -0.01 0.06 -0.02 -0.55 8.25 7.72 2r9fA1 ILE 263 HA -0.00 0.24 0.83 -0.75 4.18 4.49 2r9fA1 ILE 263 HB 0.00 -0.02 0.07 -0.04 1.89 1.90 2r9fA1 ILE 263 HG12 0.08 0.02 -0.20 -0.04 1.49 1.35 2r9fA1 ILE 263 HG13 0.09 -0.10 -0.07 -0.04 1.21 1.08 2r9fA1 ILE 263 HG23 0.03 0.05 -0.19 -0.04 0.93 0.77 2r9fA1 ILE 263 HD13 0.18 0.01 -0.08 -0.04 0.88 0.95 2r9fA1 THR 264 H -0.02 0.70 0.25 -0.55 8.28 8.66 2r9fA1 THR 264 HA -0.18 0.27 0.46 -0.75 4.39 4.19 2r9fA1 THR 264 HB 0.02 -0.04 0.15 -0.04 4.32 4.41 2r9fA1 THR 264 HG23 -0.04 0.10 -0.06 -0.04 1.22 1.18 2r9fA1 PHE 265 H -0.03 0.16 0.16 -0.55 8.34 8.08 2r9fA1 PHE 265 HA -0.01 0.18 0.45 -0.75 4.62 4.48 2r9fA1 PHE 265 HB2 -0.00 -0.05 0.12 -0.04 3.15 3.18 2r9fA1 PHE 265 HB3 -0.02 0.04 0.06 -0.04 3.06 3.10 2r9fA1 PHE 265 HD2 -0.00 -0.01 0.07 -0.04 7.28 7.30 2r9fA1 PHE 265 HE2 -0.00 -0.00 0.02 -0.04 7.38 7.36 2r9fA1 PHE 265 HZ 0.00 0.00 0.02 -0.04 7.32 7.30 2r9fA1 LYS 266 H 0.12 0.02 -0.26 -0.55 8.42 7.74 2r9fA1 LYS 266 HA -0.08 0.29 0.71 -0.75 4.32 4.48 2r9fA1 LYS 266 HB2 0.18 -0.02 0.03 -0.04 1.87 2.02 2r9fA1 LYS 266 HB3 -0.52 -0.14 0.13 -0.04 1.79 1.22 2r9fA1 LYS 266 HG2 0.06 -0.04 -0.11 -0.04 1.46 1.33 2r9fA1 LYS 266 HG3 -0.04 0.00 -0.01 -0.04 1.46 1.37 2r9fA1 LYS 266 HD2 -0.38 -0.04 -0.11 -0.04 1.69 1.12 2r9fA1 LYS 266 HD3 -0.14 0.15 -0.14 -0.04 1.68 1.51 2r9fA1 LYS 266 HE2 -0.07 -0.03 -0.03 -0.04 2.99 2.82 2r9fA1 LYS 266 HE3 -0.11 0.05 -0.05 -0.04 2.99 2.84 2r9fA1 ASN 267 H 0.03 0.48 -0.53 -0.55 8.53 7.96 2r9fA1 ASN 267 HA 0.03 0.13 0.14 -0.75 4.76 4.31 2r9fA1 ASN 267 HB2 -0.02 -0.05 -0.44 -0.04 2.88 2.33 2r9fA1 ASN 267 HB3 -0.01 0.26 0.02 -0.04 2.79 3.02 2r9fA1 ASN 267 HD21 0.07 -0.12 0.01 -0.04 7.03 6.95 2r9fA1 ASN 267 HD22 0.02 0.45 0.09 -0.04 7.74 8.25 2r9fA1 LEU 268 H 0.10 -0.07 -0.28 -0.55 8.37 7.57 2r9fA1 LEU 268 HA 0.18 0.20 0.74 -0.75 4.35 4.71 2r9fA1 LEU 268 HB2 -0.00 -0.07 -0.05 -0.04 1.64 1.47 2r9fA1 LEU 268 HB3 -0.10 0.09 -0.07 -0.04 1.64 1.51 2r9fA1 LEU 268 HG 0.39 -0.04 -0.20 -0.04 1.64 1.75 2r9fA1 LEU 268 HD13 -0.21 0.00 -0.10 -0.04 0.93 0.58 2r9fA1 LEU 268 HD23 0.14 0.02 -0.05 -0.04 0.89 0.96 2r9fA1 VAL 269 H 0.30 0.17 0.08 -0.55 8.24 8.25 2r9fA1 VAL 269 HA -0.01 0.24 0.89 -0.75 4.13 4.49 2r9fA1 VAL 269 HB -0.24 -0.06 0.06 -0.04 2.12 1.84 2r9fA1 VAL 269 HG13 -0.26 0.04 -0.11 -0.04 0.97 0.60 2r9fA1 VAL 269 HG23 -0.56 0.01 -0.09 -0.04 0.95 0.28 2r9fA1 ARG 270 H 0.01 0.85 0.29 -0.55 8.46 9.06 2r9fA1 ARG 270 HA 0.02 0.01 0.74 -0.75 4.34 4.35 2r9fA1 ARG 270 HB2 -0.00 0.05 0.05 -0.04 1.90 1.96 2r9fA1 ARG 270 HB3 -0.01 -0.05 -0.09 -0.04 1.80 1.62 2r9fA1 ARG 270 HG2 -0.06 -0.04 -0.11 -0.04 1.67 1.41 2r9fA1 ARG 270 HG3 -0.04 0.05 -0.09 -0.04 1.67 1.54 2r9fA1 ARG 270 HD2 -0.03 0.26 -0.12 -0.04 3.22 3.29 2r9fA1 ARG 270 HD3 -0.03 -0.13 -0.07 -0.04 3.22 2.95 2r9fA1 GLY 271 H 0.04 0.75 0.33 -0.55 8.43 9.00 2r9fA1 GLY 271 HA2 0.05 -0.05 0.36 -0.51 4.01 3.86 2r9fA1 GLY 271 HA3 0.05 0.06 0.47 -0.51 4.01 4.09 2r9fA1 HIS 272 H 0.18 0.11 -0.08 -0.55 8.41 8.08 2r9fA1 HIS 272 HA 0.04 0.06 0.80 -0.75 4.63 4.77 2r9fA1 HIS 272 HB2 -0.02 0.16 -0.38 -0.04 3.26 2.97 2r9fA1 HIS 272 HB3 0.00 0.14 -0.14 -0.04 3.20 3.16 2r9fA1 HIS 272 HD2 -0.99 -0.04 -0.08 -0.04 6.97 5.82 2r9fA1 HIS 272 HE1 -0.04 -0.03 0.03 -0.04 7.75 7.67 2r9fA1 ALA 273 H -0.25 0.06 0.10 -0.55 8.40 7.77 2r9fA1 ALA 273 HA 0.01 0.17 0.68 -0.75 4.34 4.45 2r9fA1 ALA 273 HB3 -0.06 -0.02 -0.10 -0.04 1.41 1.20 2r9fA1 TYR 274 H 0.23 0.64 0.49 -0.55 8.29 9.10 2r9fA1 TYR 274 HA -0.13 0.27 1.03 -0.75 4.56 4.98 2r9fA1 TYR 274 HB2 -0.00 -0.03 0.11 -0.04 3.06 3.10 2r9fA1 TYR 274 HB3 -0.10 -0.00 -0.02 -0.04 2.98 2.82 2r9fA1 TYR 274 HD2 0.12 0.06 -0.12 -0.04 7.15 7.17 2r9fA1 TYR 274 HE2 0.32 0.15 0.07 -0.04 6.85 7.34 2r9fA1 SER 275 H -0.01 0.57 0.36 -0.55 8.46 8.84 2r9fA1 SER 275 HA 0.06 0.18 0.98 -0.75 4.49 4.96 2r9fA1 SER 275 HB2 -0.05 -0.10 0.13 -0.04 3.95 3.89 2r9fA1 SER 275 HB3 -0.01 0.12 0.05 -0.04 3.93 4.06 2r9fA1 VAL 276 H -0.01 0.65 0.20 -0.55 8.24 8.54 2r9fA1 VAL 276 HA -0.23 0.06 0.99 -0.75 4.13 4.20 2r9fA1 VAL 276 HB -0.09 0.00 -0.00 -0.04 2.12 1.99 2r9fA1 VAL 276 HG13 -0.24 0.01 -0.12 -0.04 0.97 0.57 2r9fA1 VAL 276 HG23 -0.15 -0.03 -0.21 -0.04 0.95 0.51 2r9fA1 THR 277 H -0.28 0.62 0.31 -0.55 8.28 8.38 2r9fA1 THR 277 HA -0.14 0.29 0.89 -0.75 4.39 4.67 2r9fA1 THR 277 HB -0.16 0.03 0.02 -0.04 4.32 4.18 2r9fA1 THR 277 HG23 -0.13 0.00 -0.30 -0.04 1.22 0.76 2r9fA1 ASP 278 H -0.28 0.30 0.26 -0.55 8.40 8.13 2r9fA1 ASP 278 HA -0.12 0.16 0.29 -0.75 4.63 4.21 2r9fA1 ASP 278 HB2 -0.22 0.16 -0.28 -0.04 2.71 2.33 2r9fA1 ASP 278 HB3 -0.35 -0.12 -0.13 -0.04 2.70 2.06 2r9fA1 ALA 279 H -0.00 0.36 0.08 -0.55 8.40 8.30 2r9fA1 ALA 279 HA 0.14 0.12 0.66 -0.75 4.34 4.49 2r9fA1 ALA 279 HB3 -0.29 0.01 0.05 -0.04 1.41 1.15 2r9fA1 LYS 280 H 0.35 0.38 0.13 -0.55 8.42 8.73 2r9fA1 LYS 280 HA 0.07 0.18 0.80 -0.75 4.32 4.62 2r9fA1 LYS 280 HB2 -0.03 -0.03 -0.11 -0.04 1.87 1.66 2r9fA1 LYS 280 HB3 -0.05 0.05 0.02 -0.04 1.79 1.77 2r9fA1 LYS 280 HG2 0.27 -0.08 -0.49 -0.04 1.46 1.12 2r9fA1 LYS 280 HG3 0.28 0.07 -0.12 -0.04 1.46 1.65 2r9fA1 LYS 280 HD2 0.04 -0.02 0.05 -0.04 1.69 1.72 2r9fA1 LYS 280 HD3 0.05 0.06 0.18 -0.04 1.68 1.93 2r9fA1 LYS 280 HE2 0.09 0.03 -0.02 -0.04 2.99 3.05 2r9fA1 LYS 280 HE3 0.04 -0.00 0.03 -0.04 2.99 3.01 2r9fA1 GLN 281 H -0.02 0.23 0.20 -0.55 8.47 8.34 2r9fA1 GLN 281 HA -0.15 0.00 1.07 -0.75 4.36 4.53 2r9fA1 GLN 281 HB2 -0.02 0.00 0.07 -0.04 2.15 2.16 2r9fA1 GLN 281 HB3 -0.06 0.00 0.01 -0.04 2.02 1.93 2r9fA1 GLN 281 HG2 -0.02 -0.06 -0.09 -0.04 2.40 2.19 2r9fA1 GLN 281 HG3 0.11 0.00 -0.26 -0.04 2.39 2.20 2r9fA1 GLN 281 HE21 0.03 0.03 -0.06 -0.04 6.97 6.94 2r9fA1 GLN 281 HE22 -0.02 -0.05 -0.09 -0.04 7.69 7.48 2r9fA1 VAL 282 H -0.22 0.64 0.39 -0.55 8.24 8.49 2r9fA1 VAL 282 HA -0.07 0.23 0.94 -0.75 4.13 4.48 2r9fA1 VAL 282 HB -0.04 -0.03 0.00 -0.04 2.12 2.01 2r9fA1 VAL 282 HG13 -0.28 0.02 -0.25 -0.04 0.97 0.41 2r9fA1 VAL 282 HG23 -0.56 0.01 -0.15 -0.04 0.95 0.22 2r9fA1 THR 283 H 0.04 0.14 0.13 -0.55 8.28 8.04 2r9fA1 THR 283 HA 0.05 0.22 0.68 -0.75 4.39 4.58 2r9fA1 THR 283 HB 0.06 -0.07 0.19 -0.04 4.32 4.46 2r9fA1 THR 283 HG23 0.03 -0.02 -0.24 -0.04 1.22 0.95 2r9fA1 TYR 284 H 0.18 0.79 0.14 -0.55 8.29 8.86 2r9fA1 TYR 284 HA 0.11 0.28 0.71 -0.75 4.56 4.90 2r9fA1 TYR 284 HB2 0.29 -0.08 -0.12 -0.04 3.06 3.10 2r9fA1 TYR 284 HB3 0.13 0.06 0.10 -0.04 2.98 3.22 2r9fA1 TYR 284 HD2 0.10 0.03 -0.11 -0.04 7.15 7.12 2r9fA1 TYR 284 HE2 -0.09 0.02 -0.02 -0.04 6.85 6.72 2r9fA1 GLN 285 H -0.17 0.71 0.29 -0.55 8.47 8.76 2r9fA1 GLN 285 HA -0.13 0.08 0.35 -0.75 4.36 3.90 2r9fA1 GLN 285 HB2 -0.27 0.07 0.14 -0.04 2.15 2.04 2r9fA1 GLN 285 HB3 -0.17 0.01 0.18 -0.04 2.02 2.00 2r9fA1 GLN 285 HG2 -0.34 0.07 0.10 -0.04 2.40 2.20 2r9fA1 GLN 285 HG3 -1.06 -0.07 -0.12 -0.04 2.39 1.09 2r9fA1 GLN 285 HE21 -0.12 -0.00 0.01 -0.04 6.97 6.81 2r9fA1 GLN 285 HE22 -0.14 0.01 0.03 -0.04 7.69 7.56 2r9fA1 GLY 286 H -0.01 0.11 -0.32 -0.55 8.43 7.67 2r9fA1 GLY 286 HA2 0.01 -0.02 0.19 -0.51 4.01 3.67 2r9fA1 GLY 286 HA3 -0.01 0.13 0.31 -0.51 4.01 3.93 2r9fA1 GLN 287 H 0.04 0.34 -0.55 -0.55 8.47 7.76 2r9fA1 GLN 287 HA 0.02 0.00 0.86 -0.75 4.36 4.49 2r9fA1 GLN 287 HB2 0.03 0.00 -0.06 -0.04 2.15 2.08 2r9fA1 GLN 287 HB3 0.08 0.15 0.05 -0.04 2.02 2.26 2r9fA1 GLN 287 HG2 0.04 0.01 -0.01 -0.04 2.40 2.40 2r9fA1 GLN 287 HG3 0.04 -0.03 0.02 -0.04 2.39 2.37 2r9fA1 GLN 287 HE21 0.06 -0.14 0.02 -0.04 6.97 6.87 2r9fA1 GLN 287 HE22 0.03 -0.03 0.03 -0.04 7.69 7.68 2r9fA1 ARG 288 H 0.01 0.17 0.12 -0.55 8.46 8.21 2r9fA1 ARG 288 HA -0.00 0.23 0.63 -0.75 4.34 4.44 2r9fA1 ARG 288 HB2 -0.01 0.02 0.09 -0.04 1.90 1.96 2r9fA1 ARG 288 HB3 -0.02 -0.01 0.04 -0.04 1.80 1.76 2r9fA1 ARG 288 HG2 -0.06 0.02 0.01 -0.04 1.67 1.60 2r9fA1 ARG 288 HG3 -0.02 0.01 -0.07 -0.04 1.67 1.54 2r9fA1 ARG 288 HD2 -0.09 -0.08 -0.25 -0.04 3.22 2.77 2r9fA1 ARG 288 HD3 -0.04 -0.03 -0.11 -0.04 3.22 3.01 2r9fA1 VAL 289 H -0.09 0.63 0.42 -0.55 8.24 8.66 2r9fA1 VAL 289 HA -0.09 0.13 0.80 -0.75 4.13 4.21 2r9fA1 VAL 289 HB -0.23 -0.04 0.08 -0.04 2.12 1.89 2r9fA1 VAL 289 HG13 -0.28 -0.01 -0.12 -0.04 0.97 0.52 2r9fA1 VAL 289 HG23 0.11 0.05 -0.13 -0.04 0.95 0.93 2r9fA1 ASN 290 H -0.22 0.16 0.15 -0.55 8.53 8.07 2r9fA1 ASN 290 HA -0.28 0.10 0.75 -0.75 4.76 4.57 2r9fA1 ASN 290 HB2 -0.51 -0.11 0.19 -0.04 2.88 2.40 2r9fA1 ASN 290 HB3 -1.59 0.09 -0.01 -0.04 2.79 1.25 2r9fA1 ASN 290 HD21 -0.26 0.06 -0.03 -0.04 7.03 6.76 2r9fA1 ASN 290 HD22 -0.52 -0.04 0.01 -0.04 7.74 7.15 2r9fA1 LEU 291 H -0.11 0.69 0.44 -0.55 8.37 8.84 2r9fA1 LEU 291 HA -0.14 0.09 1.10 -0.75 4.35 4.64 2r9fA1 LEU 291 HB2 -0.16 0.07 0.03 -0.04 1.64 1.54 2r9fA1 LEU 291 HB3 0.08 0.05 0.01 -0.04 1.64 1.74 2r9fA1 LEU 291 HG -0.71 -0.01 -0.15 -0.04 1.64 0.72 2r9fA1 LEU 291 HD13 -1.06 0.01 -0.19 -0.04 0.93 -0.36 2r9fA1 LEU 291 HD23 -1.47 -0.01 -0.36 -0.04 0.89 -0.99 2r9fA1 ILE 292 H 0.16 0.70 0.35 -0.55 8.25 8.92 2r9fA1 ILE 292 HA 0.08 0.19 0.84 -0.75 4.18 4.53 2r9fA1 ILE 292 HB 0.05 -0.03 -0.09 -0.04 1.89 1.78 2r9fA1 ILE 292 HG12 -0.50 -0.01 -0.13 -0.04 1.49 0.81 2r9fA1 ILE 292 HG13 -0.26 0.25 0.23 -0.04 1.21 1.38 2r9fA1 ILE 292 HG23 -0.33 -0.02 -0.16 -0.04 0.93 0.39 2r9fA1 ILE 292 HD13 -0.73 -0.02 -0.07 -0.04 0.88 0.01 2r9fA1 ARG 293 H -0.35 0.73 0.28 -0.55 8.46 8.57 2r9fA1 ARG 293 HA -0.64 0.31 1.10 -0.75 4.34 4.36 2r9fA1 ARG 293 HB2 -2.49 -0.04 -0.18 -0.04 1.90 -0.85 2r9fA1 ARG 293 HB3 -0.82 -0.09 -0.02 -0.04 1.80 0.83 2r9fA1 ARG 293 HG2 -0.71 0.01 -0.16 -0.04 1.67 0.77 2r9fA1 ARG 293 HG3 -1.45 -0.01 -0.25 -0.04 1.67 -0.08 2r9fA1 ARG 293 HD2 -0.53 0.04 -0.15 -0.04 3.22 2.55 2r9fA1 ARG 293 HD3 -1.22 0.02 -0.15 -0.04 3.22 1.82 2r9fA1 MET 294 H -0.70 0.62 0.42 -0.55 8.47 8.26 2r9fA1 MET 294 HA -0.35 0.12 0.99 -0.75 4.52 4.53 2r9fA1 MET 294 HB2 -0.26 0.09 0.14 -0.04 2.15 2.08 2r9fA1 MET 294 HB3 -0.44 0.00 -0.10 -0.04 2.03 1.45 2r9fA1 MET 294 HG2 -0.87 0.02 0.03 -0.04 2.63 1.77 2r9fA1 MET 294 HG3 -0.92 0.02 -0.20 -0.04 2.56 1.42 2r9fA1 MET 294 HE3 -0.40 -0.01 -0.16 -0.04 2.10 1.49 2r9fA1 ARG 295 H -0.13 0.64 0.36 -0.55 8.46 8.77 2r9fA1 ARG 295 HA -0.14 0.31 1.01 -0.75 4.34 4.77 2r9fA1 ARG 295 HB2 -0.14 -0.02 -0.19 -0.04 1.90 1.51 2r9fA1 ARG 295 HB3 -0.09 -0.04 0.04 -0.04 1.80 1.66 2r9fA1 ARG 295 HG2 -0.04 0.02 -0.51 -0.04 1.67 1.10 2r9fA1 ARG 295 HG3 -0.02 0.00 -0.25 -0.04 1.67 1.36 2r9fA1 ARG 295 HD2 -0.05 -0.08 -0.14 -0.04 3.22 2.91 2r9fA1 ARG 295 HD3 -0.05 -0.04 -0.10 -0.04 3.22 2.99 2r9fA1 ASN 296 H 0.12 0.78 0.30 -0.55 8.53 9.18 2r9fA1 ASN 296 HA -0.47 0.09 0.74 -0.75 4.76 4.36 2r9fA1 ASN 296 HB2 0.16 0.03 0.25 -0.04 2.88 3.29 2r9fA1 ASN 296 HB3 0.08 -0.06 0.31 -0.04 2.79 3.08 2r9fA1 ASN 296 HD21 -1.32 -0.12 0.12 -0.04 7.03 5.66 2r9fA1 ASN 296 HD22 -0.14 0.48 0.31 -0.04 7.74 8.35 2r9fA1 PRO 297 HA -0.04 0.22 0.42 -0.51 4.44 4.54 2r9fA1 PRO 297 HB2 -0.01 -0.05 0.01 -0.04 2.28 2.18 2r9fA1 PRO 297 HB3 -0.10 0.02 -0.06 -0.04 2.02 1.84 2r9fA1 PRO 297 HG2 -0.20 -0.07 0.14 -0.04 2.03 1.85 2r9fA1 PRO 297 HG3 -0.28 0.09 0.19 -0.04 2.03 1.99 2r9fA1 PRO 297 HD2 -0.59 0.04 0.40 -0.04 3.68 3.49 2r9fA1 PRO 297 HD3 -0.31 0.15 0.52 -0.04 3.65 3.97 2r9fA1 TRP 298 H 0.04 0.06 -0.36 -0.55 7.97 7.17 2r9fA1 TRP 298 HA -0.03 0.04 0.72 -0.75 4.62 4.60 2r9fA1 TRP 298 HB2 0.02 0.15 0.07 -0.04 3.23 3.43 2r9fA1 TRP 298 HB3 -0.00 0.04 0.02 -0.04 3.23 3.24 2r9fA1 TRP 298 HD1 0.04 -0.06 -0.12 -0.04 7.22 7.04 2r9fA1 TRP 298 HE1 0.02 -0.06 -0.01 -0.04 10.20 10.11 2r9fA1 TRP 298 HE3 -0.01 0.06 -0.09 -0.04 7.59 7.50 2r9fA1 TRP 298 HZ2 -0.29 -0.03 -0.03 -0.04 7.44 7.05 2r9fA1 TRP 298 HZ3 -0.05 -0.03 -0.06 -0.04 7.13 6.95 2r9fA1 TRP 298 HH2 -0.14 -0.04 -0.06 -0.04 7.19 6.92 2r9fA1 GLY 299 H 0.12 0.59 -0.08 -0.55 8.43 8.51 2r9fA1 GLY 299 HA2 0.06 0.19 0.24 -0.51 4.01 3.99 2r9fA1 GLY 299 HA3 0.05 0.10 0.47 -0.51 4.01 4.12 2r9fA1 GLU 300 H 0.24 0.21 -0.25 -0.55 8.60 8.26 2r9fA1 GLU 300 HA 0.15 -0.14 0.23 -0.75 4.29 3.77 2r9fA1 GLU 300 HB2 0.14 -0.13 0.03 -0.04 2.09 2.09 2r9fA1 GLU 300 HB3 0.12 0.25 -0.16 -0.04 1.99 2.15 2r9fA1 GLU 300 HG2 0.20 0.20 -0.42 -0.04 2.34 2.27 2r9fA1 GLU 300 HG3 0.32 -0.06 -0.33 -0.04 2.34 2.23 2r9fA1 VAL 301 H 0.17 0.09 0.07 -0.55 8.24 8.02 2r9fA1 VAL 301 HA 0.15 -0.01 0.39 -0.75 4.13 3.92 2r9fA1 VAL 301 HB 0.33 0.15 0.25 -0.04 2.12 2.81 2r9fA1 VAL 301 HG13 0.17 0.01 -0.13 -0.04 0.97 0.98 2r9fA1 VAL 301 HG23 0.38 -0.01 -0.16 -0.04 0.95 1.12 2r9fA1 GLU 302 H 0.09 0.15 0.14 -0.55 8.60 8.43 2r9fA1 GLU 302 HA 0.08 0.16 0.79 -0.75 4.29 4.57 2r9fA1 GLU 302 HB2 0.06 0.04 -0.02 -0.04 2.09 2.13 2r9fA1 GLU 302 HB3 0.02 0.03 -0.06 -0.04 1.99 1.94 2r9fA1 GLU 302 HG2 0.37 0.07 -0.43 -0.04 2.34 2.31 2r9fA1 GLU 302 HG3 0.18 -0.17 -0.15 -0.04 2.34 2.16 2r9fA1 TRP 303 H -0.98 0.06 0.07 -0.55 7.97 6.57 2r9fA1 TRP 303 HA -0.23 0.21 0.47 -0.75 4.62 4.31 2r9fA1 TRP 303 HB2 -0.61 0.00 0.05 -0.04 3.23 2.63 2r9fA1 TRP 303 HB3 -1.33 -0.01 0.04 -0.04 3.23 1.89 2r9fA1 TRP 303 HD1 0.22 0.11 -0.15 -0.04 7.22 7.36 2r9fA1 TRP 303 HE1 0.24 0.62 -0.13 -0.04 10.20 10.89 2r9fA1 TRP 303 HE3 -0.04 0.06 -0.03 -0.04 7.59 7.54 2r9fA1 TRP 303 HZ2 0.12 -0.01 0.04 -0.04 7.44 7.56 2r9fA1 TRP 303 HZ3 0.02 -0.01 -0.02 -0.04 7.13 7.08 2r9fA1 TRP 303 HH2 0.06 0.03 0.02 -0.04 7.19 7.26 2r9fA1 LYS 304 H -0.51 0.42 0.25 -0.55 8.42 8.03 2r9fA1 LYS 304 HA -0.29 0.11 0.82 -0.75 4.32 4.21 2r9fA1 LYS 304 HB2 -0.27 -0.01 0.03 -0.04 1.87 1.59 2r9fA1 LYS 304 HB3 -0.21 -0.03 0.16 -0.04 1.79 1.66 2r9fA1 LYS 304 HG2 -0.11 0.22 -0.17 -0.04 1.46 1.36 2r9fA1 LYS 304 HG3 -0.09 -0.01 -0.06 -0.04 1.46 1.26 2r9fA1 LYS 304 HD2 -0.07 -0.03 -0.01 -0.04 1.69 1.54 2r9fA1 LYS 304 HD3 -0.09 -0.02 -0.01 -0.04 1.68 1.52 2r9fA1 LYS 304 HE2 -0.02 0.19 -0.04 -0.04 2.99 3.08 2r9fA1 LYS 304 HE3 -0.01 -0.01 -0.02 -0.04 2.99 2.91 2r9fA1 GLY 305 H -2.72 0.01 -0.03 -0.55 8.43 5.15 2r9fA1 GLY 305 HA2 -0.64 0.18 0.66 -0.51 4.01 3.71 2r9fA1 GLY 305 HA3 -1.59 0.02 0.37 -0.51 4.01 2.30 2r9fA1 PRO 306 HA -0.20 -0.05 0.52 -0.51 4.44 4.20 2r9fA1 PRO 306 HB2 0.31 -0.06 0.07 -0.04 2.28 2.57 2r9fA1 PRO 306 HB3 -0.24 0.04 0.09 -0.04 2.02 1.87 2r9fA1 PRO 306 HG2 0.13 0.05 0.10 -0.04 2.03 2.27 2r9fA1 PRO 306 HG3 -0.04 0.08 0.11 -0.04 2.03 2.14 2r9fA1 PRO 306 HD2 0.25 0.08 0.22 -0.04 3.68 4.19 2r9fA1 PRO 306 HD3 -0.10 0.19 0.19 -0.04 3.65 3.89 2r9fA1 TRP 307 H -0.45 0.01 0.13 -0.55 7.97 7.12 2r9fA1 TRP 307 HA -0.24 -0.02 0.24 -0.75 4.62 3.84 2r9fA1 TRP 307 HB2 0.30 0.21 -0.11 -0.04 3.23 3.60 2r9fA1 TRP 307 HB3 0.14 -0.01 -0.15 -0.04 3.23 3.17 2r9fA1 TRP 307 HD1 0.04 -0.05 -0.29 -0.04 7.22 6.88 2r9fA1 TRP 307 HE1 -0.27 0.02 -0.09 -0.04 10.20 9.82 2r9fA1 TRP 307 HE3 -2.09 0.08 -0.13 -0.04 7.59 5.41 2r9fA1 TRP 307 HZ2 -0.78 0.03 -0.11 -0.04 7.44 6.55 2r9fA1 TRP 307 HZ3 -1.23 0.05 -0.26 -0.04 7.13 5.65 2r9fA1 TRP 307 HH2 -0.30 0.04 -0.21 -0.04 7.19 6.68 2r9fA1 SER 308 H 0.32 0.39 -0.51 -0.55 8.46 8.11 2r9fA1 SER 308 HA 0.60 0.08 0.46 -0.75 4.49 4.89 2r9fA1 SER 308 HB2 0.07 0.09 0.12 -0.04 3.95 4.19 2r9fA1 SER 308 HB3 -0.10 -0.06 -0.24 -0.04 3.93 3.48 2r9fA1 ASP 309 H 0.28 0.20 0.18 -0.55 8.40 8.50 2r9fA1 ASP 309 HA 0.20 0.08 0.20 -0.75 4.63 4.37 2r9fA1 ASP 309 HB2 0.11 -0.03 0.13 -0.04 2.71 2.87 2r9fA1 ASP 309 HB3 0.07 -0.03 0.05 -0.04 2.70 2.75 2r9fA1 ASN 310 H 0.09 0.03 -0.35 -0.55 8.53 7.75 2r9fA1 ASN 310 HA 0.03 0.20 0.62 -0.75 4.76 4.86 2r9fA1 ASN 310 HB2 -0.03 -0.01 -0.03 -0.04 2.88 2.76 2r9fA1 ASN 310 HB3 -0.06 0.02 0.09 -0.04 2.79 2.80 2r9fA1 ASN 310 HD21 0.01 0.00 -0.06 -0.04 7.03 6.94 2r9fA1 ASN 310 HD22 -0.01 0.02 -0.03 -0.04 7.74 7.67 2r9fA1 SER 311 H 0.17 0.46 -0.36 -0.55 8.46 8.18 2r9fA1 SER 311 HA -0.18 0.12 0.35 -0.75 4.49 4.02 2r9fA1 SER 311 HB2 -0.17 -0.17 0.09 -0.04 3.95 3.65 2r9fA1 SER 311 HB3 -0.01 0.17 0.00 -0.04 3.93 4.05 2r9fA1 TYR 312 H -0.14 0.15 0.14 -0.55 8.29 7.88 2r9fA1 TYR 312 HA 0.00 0.21 0.47 -0.75 4.56 4.49 2r9fA1 TYR 312 HB2 -0.09 -0.04 0.08 -0.04 3.06 2.97 2r9fA1 TYR 312 HB3 -0.04 0.03 0.01 -0.04 2.98 2.93 2r9fA1 TYR 312 HD2 -0.02 -0.02 0.03 -0.04 7.15 7.10 2r9fA1 TYR 312 HE2 -0.01 0.02 -0.00 -0.04 6.85 6.81 2r9fA1 GLU 313 H -0.33 -0.01 -0.23 -0.55 8.60 7.49 2r9fA1 GLU 313 HA -0.25 0.12 0.27 -0.75 4.29 3.68 2r9fA1 GLU 313 HB2 -1.72 -0.10 0.04 -0.04 2.09 0.27 2r9fA1 GLU 313 HB3 -2.96 0.05 -0.08 -0.04 1.99 -1.04 2r9fA1 GLU 313 HG2 -1.68 0.00 -0.02 -0.04 2.34 0.60 2r9fA1 GLU 313 HG3 -0.80 0.09 0.00 -0.04 2.34 1.60 2r9fA1 TRP 314 H -0.06 0.24 -0.40 -0.55 7.97 7.20 2r9fA1 TRP 314 HA 0.16 -0.00 0.28 -0.75 4.62 4.30 2r9fA1 TRP 314 HB2 0.05 0.15 -0.04 -0.04 3.23 3.34 2r9fA1 TRP 314 HB3 0.09 0.02 -0.01 -0.04 3.23 3.29 2r9fA1 TRP 314 HD1 0.05 0.13 -0.14 -0.04 7.22 7.23 2r9fA1 TRP 314 HE1 0.33 0.38 -0.28 -0.04 10.20 10.59 2r9fA1 TRP 314 HE3 0.14 -0.04 -0.04 -0.04 7.59 7.62 2r9fA1 TRP 314 HZ2 0.15 0.05 -0.08 -0.04 7.44 7.51 2r9fA1 TRP 314 HZ3 -0.18 0.00 -0.18 -0.04 7.13 6.73 2r9fA1 TRP 314 HH2 -1.06 -0.01 -0.20 -0.04 7.19 5.88 2r9fA1 ASN 315 H 0.18 0.34 -0.36 -0.55 8.53 8.14 2r9fA1 ASN 315 HA 0.15 0.06 0.42 -0.75 4.76 4.63 2r9fA1 ASN 315 HB2 0.10 0.16 0.08 -0.04 2.88 3.18 2r9fA1 ASN 315 HB3 0.07 -0.03 0.07 -0.04 2.79 2.86 2r9fA1 ASN 315 HD21 0.32 -0.01 0.02 -0.04 7.03 7.31 2r9fA1 ASN 315 HD22 0.18 -0.02 0.06 -0.04 7.74 7.93 2r9fA1 LYS 316 H 0.14 0.36 -0.50 -0.55 8.42 7.87 2r9fA1 LYS 316 HA 0.02 0.23 0.83 -0.75 4.32 4.65 2r9fA1 LYS 316 HB2 -0.00 0.04 0.06 -0.04 1.87 1.93 2r9fA1 LYS 316 HB3 -0.26 -0.12 0.18 -0.04 1.79 1.55 2r9fA1 LYS 316 HG2 -0.05 0.07 -0.15 -0.04 1.46 1.29 2r9fA1 LYS 316 HG3 0.01 -0.01 -0.24 -0.04 1.46 1.19 2r9fA1 LYS 316 HD2 -0.06 -0.04 -0.05 -0.04 1.69 1.49 2r9fA1 LYS 316 HD3 -0.21 -0.02 -0.02 -0.04 1.68 1.39 2r9fA1 LYS 316 HE2 -0.05 0.01 -0.07 -0.04 2.99 2.84 2r9fA1 LYS 316 HE3 -0.07 -0.02 -0.04 -0.04 2.99 2.82 2r9fA1 VAL 317 H 0.21 0.32 -0.14 -0.55 8.24 8.07 2r9fA1 VAL 317 HA 0.16 0.43 1.10 -0.75 4.13 5.07 2r9fA1 VAL 317 HB 0.19 -0.21 0.13 -0.04 2.12 2.19 2r9fA1 VAL 317 HG13 0.37 0.01 -0.23 -0.04 0.97 1.08 2r9fA1 VAL 317 HG23 0.39 0.10 -0.11 -0.04 0.95 1.29 2r9fA1 ASP 318 H 0.12 0.05 0.22 -0.55 8.40 8.24 2r9fA1 ASP 318 HA 0.09 0.19 0.59 -0.75 4.63 4.74 2r9fA1 ASP 318 HB2 0.08 0.07 0.20 -0.04 2.71 3.03 2r9fA1 ASP 318 HB3 0.12 -0.13 0.22 -0.04 2.70 2.87 2r9fA1 PRO 319 HA 0.11 0.14 0.37 -0.51 4.44 4.55 2r9fA1 PRO 319 HB2 0.10 -0.01 0.06 -0.04 2.28 2.39 2r9fA1 PRO 319 HB3 0.08 0.09 0.10 -0.04 2.02 2.24 2r9fA1 PRO 319 HG2 0.06 0.05 0.11 -0.04 2.03 2.21 2r9fA1 PRO 319 HG3 0.07 0.14 0.13 -0.04 2.03 2.33 2r9fA1 PRO 319 HD2 0.09 0.03 0.24 -0.04 3.68 4.00 2r9fA1 PRO 319 HD3 0.08 0.24 0.31 -0.04 3.65 4.23 2r9fA1 TYR 320 H 0.21 0.11 -0.16 -0.55 8.29 7.91 2r9fA1 TYR 320 HA 0.03 0.13 0.49 -0.75 4.56 4.46 2r9fA1 TYR 320 HB2 0.03 0.04 0.09 -0.04 3.06 3.17 2r9fA1 TYR 320 HB3 0.03 -0.07 0.05 -0.04 2.98 2.95 2r9fA1 TYR 320 HD2 0.02 -0.02 -0.05 -0.04 7.15 7.06 2r9fA1 TYR 320 HE2 0.02 0.03 -0.03 -0.04 6.85 6.82 2r9fA1 GLU 321 H 0.16 0.05 -0.16 -0.55 8.60 8.10 2r9fA1 GLU 321 HA -0.05 0.07 0.44 -0.75 4.29 3.99 2r9fA1 GLU 321 HB2 0.13 0.14 0.17 -0.04 2.09 2.49 2r9fA1 GLU 321 HB3 0.08 -0.01 0.01 -0.04 1.99 2.03 2r9fA1 GLU 321 HG2 0.05 0.10 0.10 -0.04 2.34 2.56 2r9fA1 GLU 321 HG3 0.14 -0.03 0.09 -0.04 2.34 2.50 2r9fA1 ARG 322 H 0.13 0.51 -0.22 -0.55 8.46 8.32 2r9fA1 ARG 322 HA 0.20 -0.06 0.41 -0.75 4.34 4.14 2r9fA1 ARG 322 HB2 0.27 0.02 0.02 -0.04 1.90 2.17 2r9fA1 ARG 322 HB3 0.10 0.18 0.12 -0.04 1.80 2.15 2r9fA1 ARG 322 HG2 -0.05 0.02 -0.20 -0.04 1.67 1.41 2r9fA1 ARG 322 HG3 0.17 -0.10 -0.01 -0.04 1.67 1.70 2r9fA1 ARG 322 HD2 0.07 -0.00 -0.06 -0.04 3.22 3.19 2r9fA1 ARG 322 HD3 0.10 -0.05 -0.11 -0.04 3.22 3.12 2r9fA1 GLU 323 H -0.03 0.44 -0.12 -0.55 8.60 8.33 2r9fA1 GLU 323 HA -0.08 0.09 0.43 -0.75 4.29 3.97 2r9fA1 GLU 323 HB2 -0.04 -0.03 0.08 -0.04 2.09 2.07 2r9fA1 GLU 323 HB3 -0.01 0.00 0.11 -0.04 1.99 2.05 2r9fA1 GLU 323 HG2 -0.17 0.19 0.28 -0.04 2.34 2.60 2r9fA1 GLU 323 HG3 -0.16 -0.00 -0.10 -0.04 2.34 2.04 2r9fA1 GLN 324 H -0.23 0.43 -0.16 -0.55 8.47 7.96 2r9fA1 GLN 324 HA -0.14 0.06 0.49 -0.75 4.36 4.02 2r9fA1 GLN 324 HB2 -0.24 -0.00 0.11 -0.04 2.15 1.98 2r9fA1 GLN 324 HB3 -0.14 -0.05 0.01 -0.04 2.02 1.79 2r9fA1 GLN 324 HG2 -1.03 0.16 0.03 -0.04 2.40 1.52 2r9fA1 GLN 324 HG3 -0.73 -0.10 -0.04 -0.04 2.39 1.48 2r9fA1 GLN 324 HE21 -0.05 -0.01 -0.04 -0.04 6.97 6.83 2r9fA1 GLN 324 HE22 -0.45 -0.02 -0.05 -0.04 7.69 7.13 2r9fA1 LEU 325 H -0.12 0.30 -0.24 -0.55 8.37 7.77 2r9fA1 LEU 325 HA 0.12 0.15 0.58 -0.75 4.35 4.45 2r9fA1 LEU 325 HB2 -0.10 0.05 0.03 -0.04 1.64 1.58 2r9fA1 LEU 325 HB3 -0.57 -0.12 -0.13 -0.04 1.64 0.79 2r9fA1 LEU 325 HG -0.09 0.08 -0.04 -0.04 1.64 1.55 2r9fA1 LEU 325 HD13 -0.34 -0.04 -0.16 -0.04 0.93 0.34 2r9fA1 LEU 325 HD23 0.02 0.01 -0.19 -0.04 0.89 0.69 2r9fA1 ARG 326 H -0.43 0.46 0.12 -0.55 8.46 8.05 2r9fA1 ARG 326 HA -0.39 -0.02 0.46 -0.75 4.34 3.64 2r9fA1 ARG 326 HB2 -2.56 -0.11 0.06 -0.04 1.90 -0.76 2r9fA1 ARG 326 HB3 -0.72 0.14 0.11 -0.04 1.80 1.29 2r9fA1 ARG 326 HG2 -0.41 -0.05 -0.29 -0.04 1.67 0.87 2r9fA1 ARG 326 HG3 -0.96 -0.03 -0.05 -0.04 1.67 0.59 2r9fA1 ARG 326 HD2 -0.36 0.27 0.01 -0.04 3.22 3.10 2r9fA1 ARG 326 HD3 -1.20 -0.11 -0.04 -0.04 3.22 1.83 2r9fA1 VAL 327 H 0.01 0.17 0.13 -0.55 8.24 8.00 2r9fA1 VAL 327 HA -0.05 0.18 0.67 -0.75 4.13 4.18 2r9fA1 VAL 327 HB 0.05 -0.05 0.11 -0.04 2.12 2.19 2r9fA1 VAL 327 HG13 0.01 -0.02 -0.17 -0.04 0.97 0.75 2r9fA1 VAL 327 HG23 0.03 0.05 -0.23 -0.04 0.95 0.76 2r9fA1 LYS 328 H -0.05 0.23 -0.02 -0.55 8.42 8.03 2r9fA1 LYS 328 HA 0.01 0.06 0.71 -0.75 4.32 4.35 2r9fA1 LYS 328 HB2 -0.03 0.02 0.16 -0.04 1.87 1.99 2r9fA1 LYS 328 HB3 -0.00 -0.01 0.08 -0.04 1.79 1.81 2r9fA1 LYS 328 HG2 -0.01 0.01 -0.06 -0.04 1.46 1.36 2r9fA1 LYS 328 HG3 -0.09 0.00 -0.05 -0.04 1.46 1.29 2r9fA1 LYS 328 HD2 -0.03 0.00 -0.01 -0.04 1.69 1.61 2r9fA1 LYS 328 HD3 -0.01 -0.04 -0.01 -0.04 1.68 1.59 2r9fA1 LYS 328 HE2 0.00 -0.05 -0.07 -0.04 2.99 2.83 2r9fA1 LYS 328 HE3 -0.01 0.08 0.02 -0.04 2.99 3.04 2r9fA1 MET 329 H 0.06 0.43 0.17 -0.55 8.47 8.58 2r9fA1 MET 329 HA 0.03 0.00 0.61 -0.75 4.52 4.41 2r9fA1 MET 329 HB2 0.04 -0.00 -0.17 -0.04 2.15 1.98 2r9fA1 MET 329 HB3 0.04 0.00 -0.21 -0.04 2.03 1.82 2r9fA1 MET 329 HG2 0.02 0.02 0.02 -0.04 2.63 2.65 2r9fA1 MET 329 HG3 0.02 0.10 -0.38 -0.04 2.56 2.25 2r9fA1 MET 329 HE3 0.02 -0.00 -0.05 -0.04 2.10 2.02 2r9fA1 GLU 330 H 0.05 0.24 0.08 -0.55 8.60 8.42 2r9fA1 GLU 330 HA 0.09 0.01 0.77 -0.75 4.29 4.41 2r9fA1 GLU 330 HB2 0.05 0.00 0.14 -0.04 2.09 2.25 2r9fA1 GLU 330 HB3 0.05 0.08 0.26 -0.04 1.99 2.33 2r9fA1 GLU 330 HG2 0.06 0.06 0.08 -0.04 2.34 2.51 2r9fA1 GLU 330 HG3 0.08 0.10 0.02 -0.04 2.34 2.50 2r9fA1 ASP 331 H 0.11 0.14 0.14 -0.55 8.40 8.25 2r9fA1 ASP 331 HA 0.06 0.43 0.88 -0.75 4.63 5.25 2r9fA1 ASP 331 HB2 0.04 0.02 0.12 -0.04 2.71 2.84 2r9fA1 ASP 331 HB3 0.04 0.01 -0.18 -0.04 2.70 2.53 2r9fA1 GLY 332 H 0.15 -0.03 -0.08 -0.55 8.43 7.92 2r9fA1 GLY 332 HA2 0.22 0.01 0.04 -0.51 4.01 3.76 2r9fA1 GLY 332 HA3 0.13 0.21 0.49 -0.51 4.01 4.32 2r9fA1 GLU 333 H 0.11 0.06 -0.35 -0.55 8.60 7.89 2r9fA1 GLU 333 HA -0.14 0.32 1.09 -0.75 4.29 4.80 2r9fA1 GLU 333 HB2 -0.06 0.03 -0.07 -0.04 2.09 1.95 2r9fA1 GLU 333 HB3 -0.02 -0.01 0.02 -0.04 1.99 1.94 2r9fA1 GLU 333 HG2 -0.24 -0.02 -0.17 -0.04 2.34 1.87 2r9fA1 GLU 333 HG3 -0.31 0.12 -0.04 -0.04 2.34 2.07 2r9fA1 PHE 334 H -0.59 0.59 0.43 -0.55 8.34 8.22 2r9fA1 PHE 334 HA 0.14 0.13 0.64 -0.75 4.62 4.78 2r9fA1 PHE 334 HB2 0.40 0.04 0.11 -0.04 3.15 3.65 2r9fA1 PHE 334 HB3 0.23 0.07 -0.08 -0.04 3.06 3.25 2r9fA1 PHE 334 HD2 0.20 0.09 -0.48 -0.04 7.28 7.05 2r9fA1 PHE 334 HE2 0.13 0.07 -0.05 -0.04 7.38 7.48 2r9fA1 PHE 334 HZ 0.06 0.01 -0.04 -0.04 7.32 7.31 2r9fA1 TRP 335 H 0.81 0.22 0.15 -0.55 7.97 8.60 2r9fA1 TRP 335 HA 0.13 0.26 1.04 -0.75 4.62 5.29 2r9fA1 TRP 335 HB2 0.66 0.18 0.02 -0.04 3.23 4.05 2r9fA1 TRP 335 HB3 0.21 -0.05 -0.05 -0.04 3.23 3.29 2r9fA1 TRP 335 HD1 0.39 -0.01 -0.05 -0.04 7.22 7.52 2r9fA1 TRP 335 HE1 0.07 0.50 -0.07 -0.04 10.20 10.66 2r9fA1 TRP 335 HE3 -0.01 -0.02 -0.38 -0.04 7.59 7.15 2r9fA1 TRP 335 HZ2 0.04 0.15 -0.09 -0.04 7.44 7.50 2r9fA1 TRP 335 HZ3 -0.02 -0.16 -0.36 -0.04 7.13 6.55 2r9fA1 TRP 335 HH2 0.00 0.01 -0.21 -0.04 7.19 6.95 2r9fA1 MET 336 H 0.25 0.67 0.37 -0.55 8.47 9.21 2r9fA1 MET 336 HA 0.42 0.25 0.50 -0.75 4.52 4.94 2r9fA1 MET 336 HB2 -0.02 -0.03 -0.04 -0.04 2.15 2.03 2r9fA1 MET 336 HB3 -0.15 -0.07 0.07 -0.04 2.03 1.84 2r9fA1 MET 336 HG2 -1.33 0.06 -0.08 -0.04 2.63 1.24 2r9fA1 MET 336 HG3 0.05 -0.01 -0.45 -0.04 2.56 2.12 2r9fA1 MET 336 HE3 -1.24 -0.02 -0.19 -0.04 2.10 0.61 2r9fA1 SER 337 H 0.29 0.17 0.08 -0.55 8.46 8.45 2r9fA1 SER 337 HA -0.24 0.27 0.88 -0.75 4.49 4.64 2r9fA1 SER 337 HB2 -0.03 0.03 0.15 -0.04 3.95 4.05 2r9fA1 SER 337 HB3 0.04 0.09 0.09 -0.04 3.93 4.11 2r9fA1 PHE 338 H 0.02 0.78 0.28 -0.55 8.34 8.86 2r9fA1 PHE 338 HA 0.07 0.09 0.31 -0.75 4.62 4.34 2r9fA1 PHE 338 HB2 -0.25 0.07 -0.08 -0.04 3.15 2.85 2r9fA1 PHE 338 HB3 -0.22 -0.02 0.07 -0.04 3.06 2.85 2r9fA1 PHE 338 HD2 0.00 0.02 -0.10 -0.04 7.28 7.16 2r9fA1 PHE 338 HE2 0.13 0.06 -0.11 -0.04 7.38 7.41 2r9fA1 PHE 338 HZ 0.12 0.01 -0.16 -0.04 7.32 7.24 2r9fA1 ARG 339 H 0.05 0.09 -0.14 -0.55 8.46 7.91 2r9fA1 ARG 339 HA -0.08 0.00 0.38 -0.75 4.34 3.89 2r9fA1 ARG 339 HB2 0.03 0.00 0.09 -0.04 1.90 1.98 2r9fA1 ARG 339 HB3 0.04 0.00 0.08 -0.04 1.80 1.88 2r9fA1 ARG 339 HG2 0.03 0.00 -0.31 -0.04 1.67 1.35 2r9fA1 ARG 339 HG3 0.01 0.00 -0.02 -0.04 1.67 1.62 2r9fA1 ARG 339 HD2 0.05 0.04 -0.04 -0.04 3.22 3.23 2r9fA1 ARG 339 HD3 0.04 0.04 -0.00 -0.04 3.22 3.25 2r9fA1 ASP 340 H 0.06 0.06 -0.25 -0.55 8.40 7.72 2r9fA1 ASP 340 HA 0.03 0.12 0.46 -0.75 4.63 4.49 2r9fA1 ASP 340 HB2 0.11 -0.01 0.13 -0.04 2.71 2.90 2r9fA1 ASP 340 HB3 0.02 0.03 0.01 -0.04 2.70 2.72 2r9fA1 PHE 341 H 0.06 0.60 -0.17 -0.55 8.34 8.28 2r9fA1 PHE 341 HA -0.09 -0.02 0.41 -0.75 4.62 4.17 2r9fA1 PHE 341 HB2 -0.13 -0.02 -0.04 -0.04 3.15 2.92 2r9fA1 PHE 341 HB3 -0.22 0.09 0.12 -0.04 3.06 3.00 2r9fA1 PHE 341 HD2 -0.45 0.01 -0.11 -0.04 7.28 6.69 2r9fA1 PHE 341 HE2 -0.41 -0.01 -0.14 -0.04 7.38 6.77 2r9fA1 PHE 341 HZ -0.12 0.01 -0.13 -0.04 7.32 7.04 2r9fA1 ILE 342 H -0.29 0.50 -0.16 -0.55 8.25 7.75 2r9fA1 ILE 342 HA -0.52 0.05 0.35 -0.75 4.18 3.30 2r9fA1 ILE 342 HB -0.22 0.16 0.11 -0.04 1.89 1.90 2r9fA1 ILE 342 HG12 -0.31 0.03 0.11 -0.04 1.49 1.28 2r9fA1 ILE 342 HG13 -0.16 0.07 -0.16 -0.04 1.21 0.92 2r9fA1 ILE 342 HG23 -0.61 -0.02 -0.04 -0.04 0.93 0.21 2r9fA1 ILE 342 HD13 -0.15 -0.03 -0.03 -0.04 0.88 0.64 2r9fA1 ARG 343 H -0.14 0.14 -0.46 -0.55 8.46 7.45 2r9fA1 ARG 343 HA -0.07 0.13 0.68 -0.75 4.34 4.33 2r9fA1 ARG 343 HB2 -0.03 0.00 0.10 -0.04 1.90 1.93 2r9fA1 ARG 343 HB3 -0.02 -0.00 0.16 -0.04 1.80 1.90 2r9fA1 ARG 343 HG2 -0.00 0.01 -0.13 -0.04 1.67 1.51 2r9fA1 ARG 343 HG3 -0.01 0.01 0.05 -0.04 1.67 1.68 2r9fA1 ARG 343 HD2 0.03 -0.01 -0.01 -0.04 3.22 3.19 2r9fA1 ARG 343 HD3 0.03 -0.02 -0.00 -0.04 3.22 3.18 2r9fA1 GLU 344 H -0.12 0.44 0.02 -0.55 8.60 8.40 2r9fA1 GLU 344 HA -0.09 0.03 0.38 -0.75 4.29 3.86 2r9fA1 GLU 344 HB2 -0.16 0.01 0.10 -0.04 2.09 2.00 2r9fA1 GLU 344 HB3 -0.25 -0.10 -0.04 -0.04 1.99 1.56 2r9fA1 GLU 344 HG2 -0.04 0.12 0.08 -0.04 2.34 2.47 2r9fA1 GLU 344 HG3 -0.28 -0.10 -0.02 -0.04 2.34 1.90 2r9fA1 PHE 345 H -0.11 0.48 0.07 -0.55 8.34 8.23 2r9fA1 PHE 345 HA -0.16 0.03 0.72 -0.75 4.62 4.46 2r9fA1 PHE 345 HB2 -0.90 0.17 0.04 -0.04 3.15 2.41 2r9fA1 PHE 345 HB3 -0.31 -0.06 0.05 -0.04 3.06 2.70 2r9fA1 PHE 345 HD2 -0.18 0.00 -0.11 -0.04 7.28 6.95 2r9fA1 PHE 345 HE2 -0.26 0.02 -0.13 -0.04 7.38 6.97 2r9fA1 PHE 345 HZ -0.88 0.00 -0.08 -0.04 7.32 6.31 2r9fA1 THR 346 H 0.07 0.41 0.48 -0.55 8.28 8.69 2r9fA1 THR 346 HA -0.00 0.25 0.98 -0.75 4.39 4.86 2r9fA1 THR 346 HB 0.04 -0.01 0.13 -0.04 4.32 4.44 2r9fA1 THR 346 HG23 -0.04 0.07 -0.10 -0.04 1.22 1.10 2r9fA1 LYS 347 H 0.14 0.33 0.39 -0.55 8.42 8.72 2r9fA1 LYS 347 HA 0.31 0.36 1.11 -0.75 4.32 5.35 2r9fA1 LYS 347 HB2 0.11 0.01 -0.13 -0.04 1.87 1.83 2r9fA1 LYS 347 HB3 0.11 -0.10 0.08 -0.04 1.79 1.85 2r9fA1 LYS 347 HG2 0.17 -0.05 -0.28 -0.04 1.46 1.27 2r9fA1 LYS 347 HG3 0.39 0.08 -0.00 -0.04 1.46 1.89 2r9fA1 LYS 347 HD2 -0.25 0.03 -0.08 -0.04 1.69 1.35 2r9fA1 LYS 347 HD3 -0.09 -0.06 -0.11 -0.04 1.68 1.38 2r9fA1 LYS 347 HE2 -0.16 -0.05 -0.11 -0.04 2.99 2.63 2r9fA1 LYS 347 HE3 -0.81 0.05 -0.08 -0.04 2.99 2.11 2r9fA1 LEU 348 H 0.36 0.51 0.37 -0.55 8.37 9.06 2r9fA1 LEU 348 HA 0.24 0.27 1.02 -0.75 4.35 5.12 2r9fA1 LEU 348 HB2 0.28 0.00 -0.03 -0.04 1.64 1.86 2r9fA1 LEU 348 HB3 0.29 -0.05 0.10 -0.04 1.64 1.94 2r9fA1 LEU 348 HG 0.24 0.02 -0.32 -0.04 1.64 1.54 2r9fA1 LEU 348 HD13 0.15 0.05 -0.03 -0.04 0.93 1.06 2r9fA1 LEU 348 HD23 0.00 -0.01 -0.13 -0.04 0.89 0.71 2r9fA1 GLU 349 H 0.25 0.76 0.38 -0.55 8.60 9.44 2r9fA1 GLU 349 HA 0.34 0.27 1.13 -0.75 4.29 5.28 2r9fA1 GLU 349 HB2 0.23 -0.06 0.07 -0.04 2.09 2.30 2r9fA1 GLU 349 HB3 0.27 0.03 -0.02 -0.04 1.99 2.24 2r9fA1 GLU 349 HG2 0.19 0.08 -0.08 -0.04 2.34 2.50 2r9fA1 GLU 349 HG3 0.17 -0.06 -0.32 -0.04 2.34 2.09 2r9fA1 ILE 350 H 0.27 0.74 0.36 -0.55 8.25 9.08 2r9fA1 ILE 350 HA 0.10 0.37 1.08 -0.75 4.18 4.99 2r9fA1 ILE 350 HB 0.20 -0.04 0.05 -0.04 1.89 2.06 2r9fA1 ILE 350 HG12 0.10 0.08 -0.20 -0.04 1.49 1.43 2r9fA1 ILE 350 HG13 0.28 -0.10 -0.41 -0.04 1.21 0.95 2r9fA1 ILE 350 HG23 0.02 0.01 -0.22 -0.04 0.93 0.70 2r9fA1 ILE 350 HD13 0.03 -0.01 -0.18 -0.04 0.88 0.68 2r9fA1 CYS 351 H -0.18 0.73 0.27 -0.55 8.50 8.77 2r9fA1 CYS 351 HA 0.06 0.26 0.88 -0.75 4.58 5.03 2r9fA1 CYS 351 HB2 0.20 -0.09 -0.08 -0.04 2.97 2.95 2r9fA1 CYS 351 HB3 -0.36 -0.03 0.12 -0.04 2.97 2.66 2r9fA1 ASN 352 H 0.01 0.72 0.24 -0.55 8.53 8.95 2r9fA1 ASN 352 HA -0.04 0.06 0.85 -0.75 4.76 4.88 2r9fA1 ASN 352 HB2 -0.00 0.02 0.16 -0.04 2.88 3.02 2r9fA1 ASN 352 HB3 -0.01 0.13 0.04 -0.04 2.79 2.90 2r9fA1 ASN 352 HD21 0.05 -0.05 -0.10 -0.04 7.03 6.88 2r9fA1 ASN 352 HD22 0.03 0.05 -0.05 -0.04 7.74 7.73 2r9fA1 LEU 353 H -0.04 0.13 0.09 -0.55 8.37 8.00 2r9fA1 LEU 353 HA -0.03 0.16 0.78 -0.75 4.35 4.51 2r9fA1 LEU 353 HB2 -0.02 0.03 0.03 -0.04 1.64 1.64 2r9fA1 LEU 353 HB3 -0.01 -0.01 0.13 -0.04 1.64 1.71 2r9fA1 LEU 353 HG -0.01 0.01 -0.01 -0.04 1.64 1.60 2r9fA1 LEU 353 HD13 -0.04 -0.02 -0.18 -0.04 0.93 0.66 2r9fA1 LEU 353 HD23 -0.04 0.05 -0.14 -0.04 0.89 0.72 2r9fA1 THR 354 H -0.02 0.13 0.03 -0.55 8.28 7.87 2r9fA1 THR 354 HA -0.02 0.18 0.52 -0.75 4.39 4.32 2r9fA1 THR 354 HB -0.02 0.02 0.09 -0.04 4.32 4.37 2r9fA1 THR 354 HG23 -0.01 0.01 0.03 -0.04 1.22 1.21