============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. TYR 6 0.840 13.750 32.360 24.735 -99.200 -91.000 TYR 18 0.840 26.888 38.220 9.875 -99.200 -91.000 TRP 29 1.040 17.066 45.159 -2.376 -99.200 -91.000 TRP6 29 1.020 16.559 46.682 -0.636 -99.200 -91.000 HIS 30 0.900 19.493 37.219 -1.950 -99.200 -91.000 TYR 31 0.840 15.729 34.834 0.073 -99.200 -91.000 HIS 32 0.900 19.937 34.616 1.710 -99.200 -91.000 PHE 36 1.000 18.604 40.060 11.428 -99.200 -91.000 TRP 44 1.040 11.466 50.908 15.893 -99.200 -91.000 TRP6 44 1.020 10.036 51.792 14.230 -99.200 -91.000 TYR 52 0.840 15.999 45.604 18.673 -99.200 -91.000 PHE 53 1.000 13.441 53.630 11.809 -99.200 -91.000 TYR 55 0.840 22.069 45.762 11.921 -99.200 -91.000 TYR 59 0.840 20.498 45.368 3.772 -99.200 -91.000 PHE 72 1.000 16.364 46.138 -8.669 -99.200 -91.000 PHE 87 1.000 5.777 49.129 1.027 -99.200 -91.000 TYR 90 0.840 7.138 57.527 2.290 -99.200 -91.000 TYR 98 0.840 14.382 55.126 3.448 -99.200 -91.000 TYR 109 0.840 5.497 42.881 -8.579 -99.200 -91.000 PHE 120 1.000 4.687 38.262 -11.757 -99.200 -91.000 TRP 121 1.040 8.918 32.181 -16.928 -99.200 -91.000 TRP6 121 1.020 10.655 32.341 -18.528 -99.200 -91.000 HIS 122 0.900 11.811 31.526 -7.237 -99.200 -91.000 TYR 126 0.840 15.938 28.390 -10.816 -99.200 -91.000 TYR 128 0.840 7.056 28.885 -20.199 -99.200 -91.000 TRP 131 1.040 11.199 27.347 -8.057 -99.200 -91.000 TRP6 131 1.020 13.423 27.352 -7.244 -99.200 -91.000 TYR 136 0.840 8.084 36.724 3.032 -99.200 -91.000 PHE 141 1.000 7.567 46.081 -3.152 -99.200 -91.000 TYR 145 0.840 4.419 50.696 -5.380 -99.200 -91.000 PHE 155 1.000 -5.450 45.687 -3.195 -99.200 -91.000 HIS 168 0.900 -1.067 24.789 -12.577 -99.200 -91.000 PHE 177 1.000 -1.066 24.608 -1.106 -99.200 -91.000 TYR 178 0.840 3.443 17.360 -4.446 -99.200 -91.000 HIS 179 0.900 11.022 24.191 -3.291 -99.200 -91.000 TRP 181 1.040 2.979 23.297 -12.394 -99.200 -91.000 TRP6 181 1.020 2.242 25.186 -13.613 -99.200 -91.000 TRP 189 1.040 12.852 20.489 -10.238 -99.200 -91.000 TRP6 189 1.020 10.779 21.591 -10.551 -99.200 -91.000 PHE 200 1.000 3.485 17.187 -0.036 -99.200 -91.000 TRP 201 1.040 12.705 22.566 2.021 -99.200 -91.000 TRP6 201 1.020 13.115 24.691 1.070 -99.200 -91.000 TRP 207 1.040 10.174 31.011 2.148 -99.200 -91.000 TRP6 207 1.020 10.890 32.720 3.618 -99.200 -91.000 TYR 208 0.840 0.858 29.243 -1.025 -99.200 -91.000 HIS 223 0.900 -9.924 41.055 -3.196 -99.200 -91.000 HIS 227 0.900 -14.964 32.264 2.514 -99.200 -91.000 TRP 229 1.040 -5.475 34.663 -0.729 -99.200 -91.000 TRP6 229 1.020 -4.597 36.844 -1.001 -99.200 -91.000 TYR 243 0.840 1.667 15.334 7.408 -99.200 -91.000 TRP 251 1.040 5.203 21.090 11.771 -99.200 -91.000 TRP6 251 1.020 4.849 22.738 13.434 -99.200 -91.000 TYR 252 0.840 10.546 14.905 11.834 -99.200 -91.000 TRP 264 1.040 17.620 17.120 8.142 -99.200 -91.000 TRP6 264 1.020 17.764 19.482 8.044 -99.200 -91.000 TYR 273 0.840 5.392 24.776 8.630 -99.200 -91.000 TYR 275 0.840 4.322 36.000 11.085 -99.200 -91.000 TYR 285 0.840 -6.720 36.365 9.175 -99.200 -91.000 TYR 290 0.840 -5.191 25.213 14.321 -99.200 -91.000 TYR 298 0.840 8.268 30.418 23.184 -99.200 -91.000 HIS 304 0.900 14.258 18.792 22.001 -99.200 -91.000 PHE 314 1.000 18.441 32.602 21.710 -99.200 -91.000 PHE 327 1.000 14.669 14.257 -8.500 -99.200 -91.000 TYR 328 0.840 13.721 11.956 1.709 -99.200 -91.000 TYR 330 0.840 18.906 20.269 -3.421 -99.200 -91.000 TYR 331 0.840 13.545 19.428 -1.532 -99.200 -91.000 HIS 342 0.900 17.498 31.437 3.801 -99.200 -91.000 PHE 347 1.000 13.936 32.379 17.941 -99.200 -91.000 PHE 358 1.000 4.980 33.506 27.439 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2gh4A1 LYS 11 HA -0.10 -0.04 0.07 -0.75 4.32 3.49 2gh4A1 LYS 11 HB2 0.13 0.00 -0.03 -0.04 1.87 1.93 2gh4A1 LYS 11 HB3 0.17 0.00 0.06 -0.04 1.79 1.98 2gh4A1 LYS 11 HG2 0.23 -0.01 -0.00 -0.04 1.46 1.64 2gh4A1 LYS 11 HG3 0.09 0.00 -0.00 -0.04 1.46 1.51 2gh4A1 LYS 11 HD2 0.07 0.00 -0.01 -0.04 1.69 1.71 2gh4A1 LYS 11 HD3 0.11 0.00 -0.01 -0.04 1.68 1.74 2gh4A1 LYS 11 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.93 2gh4A1 LYS 11 HE3 -0.00 0.02 -0.00 -0.04 2.99 2.96 2gh4A1 SER 12 H -0.15 0.17 0.08 -0.55 8.46 8.01 2gh4A1 SER 12 HA -0.72 0.20 0.60 -0.75 4.49 3.82 2gh4A1 SER 12 HB2 0.01 0.08 0.10 -0.04 3.95 4.10 2gh4A1 SER 12 HB3 0.00 0.07 0.13 -0.04 3.93 4.09 2gh4A1 PRO 13 HA 0.04 0.06 0.37 -0.51 4.44 4.40 2gh4A1 PRO 13 HB2 -0.20 0.01 0.20 -0.04 2.28 2.25 2gh4A1 PRO 13 HB3 -0.30 0.02 0.17 -0.04 2.02 1.86 2gh4A1 PRO 13 HG2 -0.43 0.05 -0.14 -0.04 2.03 1.48 2gh4A1 PRO 13 HG3 -1.00 0.08 0.06 -0.04 2.03 1.12 2gh4A1 PRO 13 HD2 -0.49 0.09 0.22 -0.04 3.68 3.45 2gh4A1 PRO 13 HD3 -1.65 0.29 0.28 -0.04 3.65 2.52 2gh4A1 LEU 14 H -0.10 0.18 -0.15 -0.55 8.37 7.75 2gh4A1 LEU 14 HA -0.05 0.04 0.34 -0.75 4.35 3.92 2gh4A1 LEU 14 HB2 -0.04 0.02 0.00 -0.04 1.64 1.58 2gh4A1 LEU 14 HB3 -0.03 0.01 -0.01 -0.04 1.64 1.57 2gh4A1 LEU 14 HG -0.05 -0.03 0.03 -0.04 1.64 1.56 2gh4A1 LEU 14 HD13 -0.02 0.03 -0.03 -0.04 0.93 0.87 2gh4A1 LEU 14 HD23 -0.05 0.00 -0.09 -0.04 0.89 0.71 2gh4A1 THR 15 H -0.13 0.37 -0.36 -0.55 8.28 7.61 2gh4A1 THR 15 HA -0.10 0.04 0.42 -0.75 4.39 3.99 2gh4A1 THR 15 HB -0.40 0.19 0.12 -0.04 4.32 4.19 2gh4A1 THR 15 HG23 -0.25 0.00 -0.09 -0.04 1.22 0.84 2gh4A1 TYR 16 H -0.15 0.41 -0.14 -0.55 8.29 7.86 2gh4A1 TYR 16 HA -0.43 0.04 0.42 -0.75 4.56 3.83 2gh4A1 TYR 16 HB2 0.12 0.15 0.07 -0.04 3.06 3.36 2gh4A1 TYR 16 HB3 0.27 -0.06 -0.06 -0.04 2.98 3.08 2gh4A1 TYR 16 HD2 -0.16 -0.03 -0.12 -0.04 7.15 6.81 2gh4A1 TYR 16 HE2 0.04 0.06 -0.10 -0.04 6.85 6.80 2gh4A1 ALA 17 H 0.08 0.46 -0.18 -0.55 8.40 8.22 2gh4A1 ALA 17 HA 0.25 -0.02 0.35 -0.75 4.34 4.16 2gh4A1 ALA 17 HB3 -0.00 0.03 0.07 -0.04 1.41 1.47 2gh4A1 GLU 18 H -0.02 0.62 -0.18 -0.55 8.60 8.48 2gh4A1 GLU 18 HA 0.00 -0.01 0.50 -0.75 4.29 4.03 2gh4A1 GLU 18 HB2 0.02 0.13 0.13 -0.04 2.09 2.32 2gh4A1 GLU 18 HB3 0.16 -0.07 0.04 -0.04 1.99 2.08 2gh4A1 GLU 18 HG2 -0.01 -0.09 -0.00 -0.04 2.34 2.21 2gh4A1 GLU 18 HG3 -0.00 0.34 0.10 -0.04 2.34 2.73 2gh4A1 ALA 19 H -0.09 0.50 -0.18 -0.55 8.40 8.09 2gh4A1 ALA 19 HA -0.01 0.02 0.39 -0.75 4.34 3.99 2gh4A1 ALA 19 HB3 -0.33 0.03 0.12 -0.04 1.41 1.19 2gh4A1 LEU 20 H -0.08 0.69 -0.10 -0.55 8.37 8.33 2gh4A1 LEU 20 HA 0.23 0.06 0.44 -0.75 4.35 4.33 2gh4A1 LEU 20 HB2 0.15 0.02 0.03 -0.04 1.64 1.80 2gh4A1 LEU 20 HB3 0.16 0.09 0.08 -0.04 1.64 1.93 2gh4A1 LEU 20 HG 0.17 -0.03 -0.19 -0.04 1.64 1.55 2gh4A1 LEU 20 HD13 0.06 -0.01 0.01 -0.04 0.93 0.95 2gh4A1 LEU 20 HD23 -0.04 -0.03 -0.02 -0.04 0.89 0.76 2gh4A1 ALA 21 H 0.10 0.57 -0.16 -0.55 8.40 8.36 2gh4A1 ALA 21 HA 0.30 -0.03 0.42 -0.75 4.34 4.27 2gh4A1 ALA 21 HB3 0.03 0.02 0.12 -0.04 1.41 1.54 2gh4A1 ASN 22 H 0.13 0.74 -0.08 -0.55 8.53 8.77 2gh4A1 ASN 22 HA 0.08 -0.02 0.43 -0.75 4.76 4.50 2gh4A1 ASN 22 HB2 0.08 0.14 0.13 -0.04 2.88 3.18 2gh4A1 ASN 22 HB3 0.05 -0.04 0.03 -0.04 2.79 2.79 2gh4A1 ASN 22 HD21 0.14 -0.10 -0.04 -0.04 7.03 6.98 2gh4A1 ASN 22 HD22 0.08 0.01 -0.09 -0.04 7.74 7.70 2gh4A1 THR 23 H 0.09 0.46 -0.22 -0.55 8.28 8.06 2gh4A1 THR 23 HA 0.03 0.03 0.45 -0.75 4.39 4.15 2gh4A1 THR 23 HB 0.09 0.16 0.26 -0.04 4.32 4.80 2gh4A1 THR 23 HG23 0.01 0.02 -0.07 -0.04 1.22 1.13 2gh4A1 ILE 24 H 0.08 0.55 -0.09 -0.55 8.25 8.24 2gh4A1 ILE 24 HA -0.04 0.03 0.47 -0.75 4.18 3.88 2gh4A1 ILE 24 HB 0.13 0.11 0.17 -0.04 1.89 2.26 2gh4A1 ILE 24 HG12 0.06 0.35 0.14 -0.04 1.49 2.00 2gh4A1 ILE 24 HG13 -0.10 -0.12 -0.00 -0.04 1.21 0.94 2gh4A1 ILE 24 HG23 -0.58 -0.02 -0.08 -0.04 0.93 0.21 2gh4A1 ILE 24 HD13 -0.06 -0.03 0.03 -0.04 0.88 0.77 2gh4A1 MET 25 H 0.02 0.59 -0.02 -0.55 8.47 8.51 2gh4A1 MET 25 HA -0.17 0.07 0.43 -0.75 4.52 4.09 2gh4A1 MET 25 HB2 -0.10 0.00 0.12 -0.04 2.15 2.12 2gh4A1 MET 25 HB3 -0.29 0.00 0.03 -0.04 2.03 1.72 2gh4A1 MET 25 HG2 -1.36 0.00 0.03 -0.04 2.63 1.25 2gh4A1 MET 25 HG3 -0.12 0.00 0.07 -0.04 2.56 2.47 2gh4A1 MET 25 HE3 0.09 -0.02 -0.17 -0.04 2.10 1.97 2gh4A1 ASN 26 H -0.01 0.44 -0.36 -0.55 8.53 8.06 2gh4A1 ASN 26 HA 0.01 0.02 0.52 -0.75 4.76 4.56 2gh4A1 ASN 26 HB2 -0.01 0.00 0.11 -0.04 2.88 2.94 2gh4A1 ASN 26 HB3 -0.01 0.00 0.03 -0.04 2.79 2.77 2gh4A1 ASN 26 HD21 0.02 -0.12 -0.05 -0.04 7.03 6.83 2gh4A1 ASN 26 HD22 0.02 -0.04 -0.14 -0.04 7.74 7.54 2gh4A1 THR 27 H -0.08 0.27 -0.37 -0.55 8.28 7.56 2gh4A1 THR 27 HA -0.19 0.01 0.53 -0.75 4.39 3.98 2gh4A1 THR 27 HB -0.41 0.11 0.21 -0.04 4.32 4.20 2gh4A1 THR 27 HG23 -0.86 -0.05 -0.04 -0.04 1.22 0.23 2gh4A1 TYR 28 H 0.06 0.51 -0.07 -0.55 8.29 8.24 2gh4A1 TYR 28 HA 0.06 0.11 0.94 -0.75 4.56 4.92 2gh4A1 TYR 28 HB2 0.10 -0.01 -0.02 -0.04 3.06 3.09 2gh4A1 TYR 28 HB3 0.08 -0.09 -0.17 -0.04 2.98 2.76 2gh4A1 TYR 28 HD2 -0.03 0.02 -0.07 -0.04 7.15 7.03 2gh4A1 TYR 28 HE2 -0.05 -0.02 -0.01 -0.04 6.85 6.73 2gh4A1 THR 29 H 0.19 0.06 0.13 -0.55 8.28 8.11 2gh4A1 THR 29 HA 0.23 0.24 0.57 -0.75 4.39 4.67 2gh4A1 THR 29 HB 0.09 -0.02 0.18 -0.04 4.32 4.53 2gh4A1 THR 29 HG23 0.09 0.05 0.03 -0.04 1.22 1.35 2gh4A1 VAL 30 H 0.02 0.21 0.15 -0.55 8.24 8.07 2gh4A1 VAL 30 HA -0.00 0.13 0.43 -0.75 4.13 3.93 2gh4A1 VAL 30 HB 0.00 0.02 -0.00 -0.04 2.12 2.10 2gh4A1 VAL 30 HG13 -0.68 0.01 0.06 -0.04 0.97 0.32 2gh4A1 VAL 30 HG23 -0.04 0.01 -0.10 -0.04 0.95 0.78 2gh4A1 GLU 31 H 0.06 0.01 -0.31 -0.55 8.60 7.82 2gh4A1 GLU 31 HA 0.04 0.15 0.49 -0.75 4.29 4.22 2gh4A1 GLU 31 HB2 0.05 -0.05 0.01 -0.04 2.09 2.06 2gh4A1 GLU 31 HB3 0.04 0.04 0.03 -0.04 1.99 2.06 2gh4A1 GLU 31 HG2 0.02 0.04 0.01 -0.04 2.34 2.37 2gh4A1 GLU 31 HG3 0.01 0.07 -0.01 -0.04 2.34 2.38 2gh4A1 GLU 32 H 0.12 0.18 -0.42 -0.55 8.60 7.93 2gh4A1 GLU 32 HA 0.07 0.16 0.80 -0.75 4.29 4.56 2gh4A1 GLU 32 HB2 0.25 -0.08 0.14 -0.04 2.09 2.36 2gh4A1 GLU 32 HB3 0.29 0.04 0.06 -0.04 1.99 2.34 2gh4A1 GLU 32 HG2 0.11 0.05 -0.01 -0.04 2.34 2.44 2gh4A1 GLU 32 HG3 0.10 -0.10 -0.13 -0.04 2.34 2.16 2gh4A1 LEU 33 H 0.09 0.30 -0.15 -0.55 8.37 8.06 2gh4A1 LEU 33 HA -0.44 0.03 0.30 -0.75 4.35 3.48 2gh4A1 LEU 33 HB2 0.09 0.06 0.07 -0.04 1.64 1.82 2gh4A1 LEU 33 HB3 0.03 0.03 0.06 -0.04 1.64 1.72 2gh4A1 LEU 33 HG -0.17 -0.03 -0.14 -0.04 1.64 1.25 2gh4A1 LEU 33 HD13 -0.10 0.01 -0.05 -0.04 0.93 0.76 2gh4A1 LEU 33 HD23 -0.06 -0.01 -0.03 -0.04 0.89 0.75 2gh4A1 PRO 34 HA -0.10 -0.12 0.43 -0.51 4.44 4.14 2gh4A1 PRO 34 HB2 -0.07 -0.05 0.01 -0.04 2.28 2.13 2gh4A1 PRO 34 HB3 -0.15 0.09 0.15 -0.04 2.02 2.06 2gh4A1 PRO 34 HG2 -0.28 -0.11 0.11 -0.04 2.03 1.72 2gh4A1 PRO 34 HG3 -0.44 0.05 0.08 -0.04 2.03 1.68 2gh4A1 PRO 34 HD2 -0.93 0.03 0.17 -0.04 3.68 2.91 2gh4A1 PRO 34 HD3 -1.46 0.25 0.15 -0.04 3.65 2.56 2gh4A1 PRO 35 HA -0.05 -0.01 0.40 -0.51 4.44 4.27 2gh4A1 PRO 35 HB2 -0.08 0.14 -0.03 -0.04 2.28 2.26 2gh4A1 PRO 35 HB3 -0.11 -0.03 0.08 -0.04 2.02 1.92 2gh4A1 PRO 35 HG2 -0.07 0.10 0.06 -0.04 2.03 2.08 2gh4A1 PRO 35 HG3 -0.34 -0.05 0.04 -0.04 2.03 1.64 2gh4A1 PRO 35 HD2 -0.07 -0.03 0.40 -0.04 3.68 3.93 2gh4A1 PRO 35 HD3 -0.23 -0.01 0.12 -0.04 3.65 3.50 2gh4A1 ALA 36 H -0.02 0.04 0.06 -0.55 8.40 7.92 2gh4A1 ALA 36 HA 0.02 0.20 0.06 -0.75 4.34 3.87 2gh4A1 ALA 36 HB3 0.02 0.04 0.08 -0.04 1.41 1.51 2gh4A1 ASN 37 H 0.06 0.22 0.11 -0.55 8.53 8.37 2gh4A1 ASN 37 HA 0.02 0.03 0.31 -0.75 4.76 4.37 2gh4A1 ASN 37 HB2 0.01 -0.03 -0.27 -0.04 2.88 2.56 2gh4A1 ASN 37 HB3 0.01 -0.02 0.24 -0.04 2.79 2.98 2gh4A1 ASN 37 HD21 -0.01 0.03 0.02 -0.04 7.03 7.02 2gh4A1 ASN 37 HD22 -0.01 -0.02 0.07 -0.04 7.74 7.74 2gh4A1 ARG 38 H 0.09 0.38 -0.15 -0.55 8.46 8.23 2gh4A1 ARG 38 HA 0.08 0.14 0.85 -0.75 4.34 4.66 2gh4A1 ARG 38 HB2 0.00 0.20 -0.07 -0.04 1.90 2.00 2gh4A1 ARG 38 HB3 0.01 -0.11 -0.17 -0.04 1.80 1.49 2gh4A1 ARG 38 HG2 -0.01 -0.03 -0.03 -0.04 1.67 1.56 2gh4A1 ARG 38 HG3 -0.01 0.22 -0.31 -0.04 1.67 1.54 2gh4A1 ARG 38 HD2 -0.07 -0.02 -0.07 -0.04 3.22 3.02 2gh4A1 ARG 38 HD3 -0.09 -0.06 -0.10 -0.04 3.22 2.92 2gh4A1 TRP 39 H 0.29 0.23 0.13 -0.55 7.97 8.07 2gh4A1 TRP 39 HA 0.14 0.08 0.62 -0.75 4.62 4.71 2gh4A1 TRP 39 HB2 -0.01 0.09 0.12 -0.04 3.23 3.39 2gh4A1 TRP 39 HB3 0.08 0.03 0.32 -0.04 3.23 3.61 2gh4A1 TRP 39 HD1 0.00 -0.13 -0.03 -0.04 7.22 7.02 2gh4A1 TRP 39 HE1 -0.24 0.19 -0.04 -0.04 10.20 10.06 2gh4A1 TRP 39 HE3 -0.15 0.05 -0.06 -0.04 7.59 7.39 2gh4A1 TRP 39 HZ2 -0.11 -0.05 -0.47 -0.04 7.44 6.76 2gh4A1 TRP 39 HZ3 -0.03 0.01 -0.08 -0.04 7.13 6.99 2gh4A1 TRP 39 HH2 -0.00 -0.00 -0.16 -0.04 7.19 6.98 2gh4A1 HIS 40 H -0.10 0.29 0.20 -0.55 8.41 8.26 2gh4A1 HIS 40 HA -0.07 0.16 0.71 -0.75 4.63 4.67 2gh4A1 HIS 40 HB2 -0.07 0.15 -0.45 -0.04 3.26 2.86 2gh4A1 HIS 40 HB3 -0.19 0.01 -0.03 -0.04 3.20 2.94 2gh4A1 HIS 40 HD2 -1.08 0.06 0.05 -0.04 6.97 5.95 2gh4A1 HIS 40 HE1 0.21 -0.01 0.01 -0.04 7.75 7.91 2gh4A1 TYR 41 H -0.50 0.23 0.15 -0.55 8.29 7.62 2gh4A1 TYR 41 HA -0.29 0.06 0.43 -0.75 4.56 4.00 2gh4A1 TYR 41 HB2 -0.25 0.02 0.11 -0.04 3.06 2.90 2gh4A1 TYR 41 HB3 -0.28 0.30 0.22 -0.04 2.98 3.18 2gh4A1 TYR 41 HD2 -0.33 0.02 -0.04 -0.04 7.15 6.75 2gh4A1 TYR 41 HE2 0.18 0.01 -0.04 -0.04 6.85 6.96 2gh4A1 HIS 42 H -0.72 0.11 -0.26 -0.55 8.41 6.99 2gh4A1 HIS 42 HA -0.62 0.00 0.35 -0.75 4.63 3.61 2gh4A1 HIS 42 HB2 -0.20 0.08 0.17 -0.04 3.26 3.27 2gh4A1 HIS 42 HB3 -0.23 0.11 0.02 -0.04 3.20 3.05 2gh4A1 HIS 42 HD2 0.00 0.08 -0.05 -0.04 6.97 6.96 2gh4A1 HIS 42 HE1 0.15 -0.01 0.00 -0.04 7.75 7.85 2gh4A1 GLN 43 H -0.16 0.19 -0.13 -0.55 8.47 7.83 2gh4A1 GLN 43 HA -0.11 0.07 0.45 -0.75 4.36 4.02 2gh4A1 GLN 43 HB2 -0.51 0.04 0.06 -0.04 2.15 1.69 2gh4A1 GLN 43 HB3 -0.89 0.01 -0.00 -0.04 2.02 1.10 2gh4A1 GLN 43 HG2 -0.31 0.11 -0.15 -0.04 2.40 2.01 2gh4A1 GLN 43 HG3 -0.19 -0.01 -0.22 -0.04 2.39 1.94 2gh4A1 GLN 43 HE21 0.08 0.14 -0.05 -0.04 6.97 7.09 2gh4A1 GLN 43 HE22 0.13 0.23 -0.20 -0.04 7.69 7.81 2gh4A1 GLY 44 H -0.26 0.30 -0.19 -0.55 8.43 7.74 2gh4A1 GLY 44 HA2 -0.25 0.09 0.36 -0.51 4.01 3.70 2gh4A1 GLY 44 HA3 -0.21 -0.02 0.23 -0.51 4.01 3.49 2gh4A1 VAL 45 H 0.01 0.68 -0.14 -0.55 8.24 8.24 2gh4A1 VAL 45 HA 0.14 0.08 0.37 -0.75 4.13 3.97 2gh4A1 VAL 45 HB 0.31 -0.01 0.07 -0.04 2.12 2.45 2gh4A1 VAL 45 HG13 0.14 0.05 0.03 -0.04 0.97 1.15 2gh4A1 VAL 45 HG23 0.28 -0.02 -0.09 -0.04 0.95 1.08 2gh4A1 PHE 46 H 0.13 0.40 -0.19 -0.55 8.34 8.12 2gh4A1 PHE 46 HA 0.01 -0.04 0.48 -0.75 4.62 4.32 2gh4A1 PHE 46 HB2 -0.03 -0.01 0.15 -0.04 3.15 3.22 2gh4A1 PHE 46 HB3 -0.08 0.10 0.18 -0.04 3.06 3.22 2gh4A1 PHE 46 HD2 0.02 -0.03 -0.14 -0.04 7.28 7.09 2gh4A1 PHE 46 HE2 0.07 0.03 -0.09 -0.04 7.38 7.36 2gh4A1 PHE 46 HZ -0.02 0.09 0.03 -0.04 7.32 7.38 2gh4A1 LEU 47 H -0.03 0.83 -0.08 -0.55 8.37 8.54 2gh4A1 LEU 47 HA -0.30 -0.01 0.45 -0.75 4.35 3.74 2gh4A1 LEU 47 HB2 -0.14 0.12 0.10 -0.04 1.64 1.68 2gh4A1 LEU 47 HB3 -0.09 -0.05 0.07 -0.04 1.64 1.52 2gh4A1 LEU 47 HG -0.07 0.09 0.07 -0.04 1.64 1.68 2gh4A1 LEU 47 HD13 -0.33 -0.00 -0.01 -0.04 0.93 0.55 2gh4A1 LEU 47 HD23 0.08 -0.02 -0.06 -0.04 0.89 0.85 2gh4A1 CYS 48 H -0.03 0.41 -0.33 -0.55 8.50 7.99 2gh4A1 CYS 48 HA 0.03 0.04 0.43 -0.75 4.58 4.33 2gh4A1 CYS 48 HB2 0.06 0.09 0.16 -0.04 2.97 3.23 2gh4A1 CYS 48 HB3 0.07 -0.02 -0.05 -0.04 2.97 2.93 2gh4A1 GLY 49 H -0.07 0.43 -0.23 -0.55 8.43 8.01 2gh4A1 GLY 49 HA2 -0.03 0.03 0.36 -0.51 4.01 3.86 2gh4A1 GLY 49 HA3 -0.09 0.08 0.35 -0.51 4.01 3.84 2gh4A1 VAL 50 H -0.33 0.51 -0.04 -0.55 8.24 7.83 2gh4A1 VAL 50 HA -0.25 0.01 0.41 -0.75 4.13 3.54 2gh4A1 VAL 50 HB -0.25 0.04 0.16 -0.04 2.12 2.03 2gh4A1 VAL 50 HG13 0.08 -0.02 -0.10 -0.04 0.97 0.89 2gh4A1 VAL 50 HG23 -0.74 0.03 0.01 -0.04 0.95 0.20 2gh4A1 LEU 51 H -0.01 0.63 -0.24 -0.55 8.37 8.20 2gh4A1 LEU 51 HA 0.27 -0.01 0.42 -0.75 4.35 4.28 2gh4A1 LEU 51 HB2 0.10 0.14 0.14 -0.04 1.64 1.97 2gh4A1 LEU 51 HB3 0.26 -0.03 0.01 -0.04 1.64 1.84 2gh4A1 LEU 51 HG -0.04 0.03 0.05 -0.04 1.64 1.64 2gh4A1 LEU 51 HD13 -0.01 -0.01 0.00 -0.04 0.93 0.87 2gh4A1 LEU 51 HD23 -0.16 -0.02 -0.02 -0.04 0.89 0.65 2gh4A1 ARG 52 H 0.06 0.43 -0.33 -0.55 8.46 8.07 2gh4A1 ARG 52 HA 0.11 0.06 0.47 -0.75 4.34 4.22 2gh4A1 ARG 52 HB2 0.06 0.18 0.13 -0.04 1.90 2.22 2gh4A1 ARG 52 HB3 0.02 0.08 0.07 -0.04 1.80 1.94 2gh4A1 ARG 52 HG2 0.09 -0.01 -0.02 -0.04 1.67 1.69 2gh4A1 ARG 52 HG3 0.05 -0.02 -0.03 -0.04 1.67 1.63 2gh4A1 ARG 52 HD2 0.09 0.02 -0.02 -0.04 3.22 3.27 2gh4A1 ARG 52 HD3 0.09 -0.02 0.03 -0.04 3.22 3.27 2gh4A1 LEU 53 H -0.01 0.47 -0.19 -0.55 8.37 8.09 2gh4A1 LEU 53 HA -0.06 0.05 0.42 -0.75 4.35 4.02 2gh4A1 LEU 53 HB2 -0.19 0.07 0.06 -0.04 1.64 1.54 2gh4A1 LEU 53 HB3 -0.35 0.14 0.12 -0.04 1.64 1.51 2gh4A1 LEU 53 HG -0.48 -0.06 -0.13 -0.04 1.64 0.93 2gh4A1 LEU 53 HD13 -0.11 0.00 -0.02 -0.04 0.93 0.77 2gh4A1 LEU 53 HD23 -0.65 -0.01 -0.13 -0.04 0.89 0.05 2gh4A1 TRP 54 H 0.27 0.37 -0.36 -0.55 7.97 7.71 2gh4A1 TRP 54 HA 0.23 -0.06 0.39 -0.75 4.62 4.42 2gh4A1 TRP 54 HB2 0.25 -0.09 0.01 -0.04 3.23 3.36 2gh4A1 TRP 54 HB3 0.15 0.26 0.14 -0.04 3.23 3.74 2gh4A1 TRP 54 HD1 0.18 0.10 -0.40 -0.04 7.22 7.06 2gh4A1 TRP 54 HE1 -0.02 0.03 -0.18 -0.04 10.20 9.98 2gh4A1 TRP 54 HE3 0.19 0.18 0.02 -0.04 7.59 7.94 2gh4A1 TRP 54 HZ2 -0.34 0.02 -0.05 -0.04 7.44 7.03 2gh4A1 TRP 54 HZ3 0.16 0.01 -0.04 -0.04 7.13 7.22 2gh4A1 TRP 54 HH2 -0.12 0.04 -0.04 -0.04 7.19 7.03 2gh4A1 GLU 55 H 0.11 0.45 -0.22 -0.55 8.60 8.40 2gh4A1 GLU 55 HA -0.75 0.03 0.40 -0.75 4.29 3.22 2gh4A1 GLU 55 HB2 -0.05 0.12 0.10 -0.04 2.09 2.21 2gh4A1 GLU 55 HB3 -0.18 -0.01 0.05 -0.04 1.99 1.81 2gh4A1 GLU 55 HG2 -0.35 -0.05 0.03 -0.04 2.34 1.93 2gh4A1 GLU 55 HG3 0.24 0.28 0.15 -0.04 2.34 2.97 2gh4A1 ALA 56 H -0.05 0.24 -0.47 -0.55 8.40 7.58 2gh4A1 ALA 56 HA -0.07 0.11 0.56 -0.75 4.34 4.18 2gh4A1 ALA 56 HB3 -0.03 -0.01 0.11 -0.04 1.41 1.43 2gh4A1 THR 57 H -0.02 0.28 -0.09 -0.55 8.28 7.90 2gh4A1 THR 57 HA -0.00 0.25 1.05 -0.75 4.39 4.93 2gh4A1 THR 57 HB 0.11 -0.04 0.08 -0.04 4.32 4.42 2gh4A1 THR 57 HG23 0.04 0.02 -0.07 -0.04 1.22 1.17 2gh4A1 GLY 58 H -0.11 0.76 0.18 -0.55 8.43 8.72 2gh4A1 GLY 58 HA2 -0.28 0.08 0.31 -0.51 4.01 3.60 2gh4A1 GLY 58 HA3 -0.07 0.11 0.54 -0.51 4.01 4.09 2gh4A1 GLU 59 H 0.23 0.07 -0.29 -0.55 8.60 8.07 2gh4A1 GLU 59 HA 0.12 0.10 0.48 -0.75 4.29 4.24 2gh4A1 GLU 59 HB2 0.23 0.00 0.06 -0.04 2.09 2.34 2gh4A1 GLU 59 HB3 -0.05 0.00 0.12 -0.04 1.99 2.02 2gh4A1 GLU 59 HG2 0.03 0.00 0.01 -0.04 2.34 2.34 2gh4A1 GLU 59 HG3 -0.08 0.04 -0.00 -0.04 2.34 2.26 2gh4A1 LYS 60 H 0.16 0.29 0.27 -0.55 8.42 8.58 2gh4A1 LYS 60 HA 0.31 0.08 0.31 -0.75 4.32 4.27 2gh4A1 LYS 60 HB2 0.11 0.04 0.19 -0.04 1.87 2.17 2gh4A1 LYS 60 HB3 0.09 -0.01 -0.02 -0.04 1.79 1.80 2gh4A1 LYS 60 HG2 0.19 0.11 0.08 -0.04 1.46 1.80 2gh4A1 LYS 60 HG3 0.08 0.03 0.05 -0.04 1.46 1.59 2gh4A1 LYS 60 HD2 0.09 -0.05 0.05 -0.04 1.69 1.74 2gh4A1 LYS 60 HD3 0.04 -0.09 0.10 -0.04 1.68 1.69 2gh4A1 LYS 60 HE2 -0.41 -0.00 -0.01 -0.04 2.99 2.53 2gh4A1 LYS 60 HE3 -0.01 0.07 0.01 -0.04 2.99 3.01 2gh4A1 ARG 61 H -0.03 0.13 -0.34 -0.55 8.46 7.66 2gh4A1 ARG 61 HA 0.03 0.09 0.46 -0.75 4.34 4.16 2gh4A1 ARG 61 HB2 -0.04 0.04 0.07 -0.04 1.90 1.93 2gh4A1 ARG 61 HB3 -0.05 0.02 0.05 -0.04 1.80 1.78 2gh4A1 ARG 61 HG2 -0.38 -0.05 -0.05 -0.04 1.67 1.15 2gh4A1 ARG 61 HG3 -0.44 0.03 -0.23 -0.04 1.67 0.99 2gh4A1 ARG 61 HD2 -0.09 0.03 -0.04 -0.04 3.22 3.07 2gh4A1 ARG 61 HD3 -0.09 0.00 -0.02 -0.04 3.22 3.07 2gh4A1 TYR 62 H -0.00 0.46 -0.19 -0.55 8.29 8.01 2gh4A1 TYR 62 HA 0.07 0.07 0.48 -0.75 4.56 4.42 2gh4A1 TYR 62 HB2 0.29 0.07 0.10 -0.04 3.06 3.47 2gh4A1 TYR 62 HB3 0.13 0.15 0.01 -0.04 2.98 3.23 2gh4A1 TYR 62 HD2 0.11 0.01 -0.02 -0.04 7.15 7.21 2gh4A1 TYR 62 HE2 0.04 0.01 -0.05 -0.04 6.85 6.81 2gh4A1 PHE 63 H 0.06 0.22 -0.18 -0.55 8.34 7.89 2gh4A1 PHE 63 HA -0.48 0.06 0.36 -0.75 4.62 3.80 2gh4A1 PHE 63 HB2 -2.52 0.02 0.04 -0.04 3.15 0.65 2gh4A1 PHE 63 HB3 -0.59 0.13 0.14 -0.04 3.06 2.69 2gh4A1 PHE 63 HD2 -1.22 0.01 -0.13 -0.04 7.28 5.90 2gh4A1 PHE 63 HE2 -0.28 0.05 -0.10 -0.04 7.38 7.00 2gh4A1 PHE 63 HZ -0.16 0.05 -0.02 -0.04 7.32 7.15 2gh4A1 GLU 64 H 0.06 0.62 -0.04 -0.55 8.60 8.70 2gh4A1 GLU 64 HA -0.07 0.03 0.39 -0.75 4.29 3.88 2gh4A1 GLU 64 HB2 0.07 0.01 0.11 -0.04 2.09 2.24 2gh4A1 GLU 64 HB3 0.05 -0.02 -0.00 -0.04 1.99 1.98 2gh4A1 GLU 64 HG2 0.12 -0.01 0.01 -0.04 2.34 2.41 2gh4A1 GLU 64 HG3 0.17 0.08 0.06 -0.04 2.34 2.61 2gh4A1 TYR 65 H 0.14 0.50 -0.32 -0.55 8.29 8.06 2gh4A1 TYR 65 HA 0.03 0.01 0.45 -0.75 4.56 4.29 2gh4A1 TYR 65 HB2 0.06 0.12 0.16 -0.04 3.06 3.35 2gh4A1 TYR 65 HB3 0.06 0.07 0.13 -0.04 2.98 3.20 2gh4A1 TYR 65 HD2 0.09 -0.00 -0.07 -0.04 7.15 7.12 2gh4A1 TYR 65 HE2 0.20 0.03 -0.00 -0.04 6.85 7.05 2gh4A1 ALA 66 H 0.00 0.49 -0.16 -0.55 8.40 8.18 2gh4A1 ALA 66 HA -0.02 -0.01 0.45 -0.75 4.34 4.01 2gh4A1 ALA 66 HB3 -0.16 0.03 0.10 -0.04 1.41 1.35 2gh4A1 LYS 67 H -0.36 0.60 -0.13 -0.55 8.42 7.97 2gh4A1 LYS 67 HA -0.24 -0.00 0.39 -0.75 4.32 3.72 2gh4A1 LYS 67 HB2 -0.74 0.08 0.08 -0.04 1.87 1.25 2gh4A1 LYS 67 HB3 -0.21 0.09 0.08 -0.04 1.79 1.70 2gh4A1 LYS 67 HG2 0.01 -0.03 -0.08 -0.04 1.46 1.32 2gh4A1 LYS 67 HG3 -0.11 -0.04 0.03 -0.04 1.46 1.30 2gh4A1 LYS 67 HD2 0.04 0.02 -0.04 -0.04 1.69 1.67 2gh4A1 LYS 67 HD3 0.06 0.00 -0.04 -0.04 1.68 1.65 2gh4A1 LYS 67 HE2 0.29 -0.02 -0.02 -0.04 2.99 3.20 2gh4A1 LYS 67 HE3 0.21 0.03 -0.02 -0.04 2.99 3.16 2gh4A1 ALA 68 H -0.11 0.48 -0.34 -0.55 8.40 7.89 2gh4A1 ALA 68 HA -0.03 0.02 0.39 -0.75 4.34 3.96 2gh4A1 ALA 68 HB3 -0.11 0.04 0.13 -0.04 1.41 1.44 2gh4A1 TYR 69 H -0.02 0.45 -0.17 -0.55 8.29 7.99 2gh4A1 TYR 69 HA -0.07 0.03 0.46 -0.75 4.56 4.23 2gh4A1 TYR 69 HB2 -0.17 -0.02 0.13 -0.04 3.06 2.96 2gh4A1 TYR 69 HB3 -0.09 0.14 0.17 -0.04 2.98 3.16 2gh4A1 TYR 69 HD2 -0.04 0.08 -0.05 -0.04 7.15 7.10 2gh4A1 TYR 69 HE2 -0.27 0.04 -0.04 -0.04 6.85 6.54 2gh4A1 ALA 70 H 0.10 0.48 -0.14 -0.55 8.40 8.29 2gh4A1 ALA 70 HA 0.23 -0.01 0.36 -0.75 4.34 4.17 2gh4A1 ALA 70 HB3 0.14 0.02 0.05 -0.04 1.41 1.58 2gh4A1 ASP 71 H 0.04 0.64 -0.15 -0.55 8.40 8.38 2gh4A1 ASP 71 HA 0.03 0.12 0.45 -0.75 4.63 4.48 2gh4A1 ASP 71 HB2 0.01 0.06 0.09 -0.04 2.71 2.83 2gh4A1 ASP 71 HB3 0.01 -0.05 0.05 -0.04 2.70 2.66 2gh4A1 LEU 72 H -0.06 0.31 -0.45 -0.55 8.37 7.62 2gh4A1 LEU 72 HA -0.04 0.00 0.46 -0.75 4.35 4.01 2gh4A1 LEU 72 HB2 -0.05 -0.03 0.07 -0.04 1.64 1.59 2gh4A1 LEU 72 HB3 -0.15 0.16 0.12 -0.04 1.64 1.74 2gh4A1 LEU 72 HG -0.06 0.02 -0.21 -0.04 1.64 1.35 2gh4A1 LEU 72 HD13 -0.02 -0.02 0.02 -0.04 0.93 0.87 2gh4A1 LEU 72 HD23 -0.02 -0.04 -0.10 -0.04 0.89 0.69 2gh4A1 LEU 73 H -0.11 0.33 -0.25 -0.55 8.37 7.79 2gh4A1 LEU 73 HA -0.06 0.13 0.78 -0.75 4.35 4.44 2gh4A1 LEU 73 HB2 0.02 0.08 0.05 -0.04 1.64 1.75 2gh4A1 LEU 73 HB3 0.01 -0.10 0.05 -0.04 1.64 1.55 2gh4A1 LEU 73 HG -0.22 0.00 -0.22 -0.04 1.64 1.17 2gh4A1 LEU 73 HD13 -0.14 -0.01 -0.25 -0.04 0.93 0.49 2gh4A1 LEU 73 HD23 0.01 -0.01 -0.24 -0.04 0.89 0.62 2gh4A1 ILE 74 H -0.06 0.44 -0.03 -0.55 8.25 8.05 2gh4A1 ILE 74 HA -0.14 0.38 0.94 -0.75 4.18 4.61 2gh4A1 ILE 74 HB -0.03 -0.00 0.02 -0.04 1.89 1.84 2gh4A1 ILE 74 HG12 -0.36 0.01 -0.19 -0.04 1.49 0.91 2gh4A1 ILE 74 HG13 -0.18 -0.03 -0.19 -0.04 1.21 0.76 2gh4A1 ILE 74 HG23 -0.14 0.02 -0.24 -0.04 0.93 0.54 2gh4A1 ILE 74 HD13 -0.05 -0.04 -0.09 -0.04 0.88 0.66 2gh4A1 ASP 75 H -0.09 0.36 0.15 -0.55 8.40 8.27 2gh4A1 ASP 75 HA -0.06 0.29 0.57 -0.75 4.63 4.68 2gh4A1 ASP 75 HB2 -0.05 -0.08 0.19 -0.04 2.71 2.72 2gh4A1 ASP 75 HB3 -0.06 0.15 0.05 -0.04 2.70 2.80 2gh4A1 ASP 76 H -0.05 0.18 0.15 -0.55 8.40 8.13 2gh4A1 ASP 76 HA -0.08 0.12 0.38 -0.75 4.63 4.30 2gh4A1 ASP 76 HB2 -0.04 -0.02 0.06 -0.04 2.71 2.67 2gh4A1 ASP 76 HB3 -0.04 0.03 0.10 -0.04 2.70 2.75 2gh4A1 ASN 77 H -0.07 -0.02 -0.43 -0.55 8.53 7.47 2gh4A1 ASN 77 HA -0.06 0.28 0.92 -0.75 4.76 5.15 2gh4A1 ASN 77 HB2 -0.05 -0.06 0.01 -0.04 2.88 2.73 2gh4A1 ASN 77 HB3 -0.05 0.06 0.12 -0.04 2.79 2.88 2gh4A1 ASN 77 HD21 -0.03 0.00 -0.07 -0.04 7.03 6.89 2gh4A1 ASN 77 HD22 -0.04 0.05 -0.01 -0.04 7.74 7.70 2gh4A1 GLY 78 H -0.10 0.57 -0.26 -0.55 8.43 8.09 2gh4A1 GLY 78 HA2 -0.13 0.10 0.25 -0.51 4.01 3.73 2gh4A1 GLY 78 HA3 -0.10 0.08 0.49 -0.51 4.01 3.97 2gh4A1 ASN 79 H -0.09 -0.13 -0.26 -0.55 8.53 7.51 2gh4A1 ASN 79 HA -0.08 0.14 0.48 -0.75 4.76 4.54 2gh4A1 ASN 79 HB2 -0.07 -0.12 0.05 -0.04 2.88 2.69 2gh4A1 ASN 79 HB3 -0.07 0.06 -0.04 -0.04 2.79 2.70 2gh4A1 ASN 79 HD21 -0.05 0.05 -0.05 -0.04 7.03 6.94 2gh4A1 ASN 79 HD22 -0.05 -0.06 -0.03 -0.04 7.74 7.56 2gh4A1 LEU 80 H -0.07 0.24 0.21 -0.55 8.37 8.20 2gh4A1 LEU 80 HA -0.14 0.34 0.86 -0.75 4.35 4.65 2gh4A1 LEU 80 HB2 -0.37 0.06 -0.24 -0.04 1.64 1.05 2gh4A1 LEU 80 HB3 -0.23 -0.03 -0.01 -0.04 1.64 1.33 2gh4A1 LEU 80 HG -0.27 0.04 -0.39 -0.04 1.64 0.99 2gh4A1 LEU 80 HD13 -0.53 0.01 -0.06 -0.04 0.93 0.31 2gh4A1 LEU 80 HD23 -1.70 -0.03 -0.14 -0.04 0.89 -1.02 2gh4A1 LEU 81 H -0.06 0.28 0.20 -0.55 8.37 8.25 2gh4A1 LEU 81 HA -0.17 0.12 0.86 -0.75 4.35 4.41 2gh4A1 LEU 81 HB2 -0.03 0.04 0.18 -0.04 1.64 1.80 2gh4A1 LEU 81 HB3 -0.07 -0.02 0.04 -0.04 1.64 1.56 2gh4A1 LEU 81 HG -0.07 -0.00 -0.05 -0.04 1.64 1.48 2gh4A1 LEU 81 HD13 -0.05 0.01 0.02 -0.04 0.93 0.86 2gh4A1 LEU 81 HD23 -0.12 0.01 0.01 -0.04 0.89 0.75 2gh4A1 PHE 82 H -0.47 0.30 0.22 -0.55 8.34 7.83 2gh4A1 PHE 82 HA 0.06 0.10 0.58 -0.75 4.62 4.61 2gh4A1 PHE 82 HB2 0.12 -0.05 0.04 -0.04 3.15 3.22 2gh4A1 PHE 82 HB3 -0.10 0.15 -0.20 -0.04 3.06 2.86 2gh4A1 PHE 82 HD2 -0.18 -0.01 -0.60 -0.04 7.28 6.45 2gh4A1 PHE 82 HE2 -0.18 0.04 -0.10 -0.04 7.38 7.10 2gh4A1 PHE 82 HZ -0.16 0.09 -0.13 -0.04 7.32 7.08 2gh4A1 ARG 83 H 0.23 0.20 0.15 -0.55 8.46 8.49 2gh4A1 ARG 83 HA -0.03 0.08 0.57 -0.75 4.34 4.21 2gh4A1 ARG 83 HB2 0.10 -0.07 0.26 -0.04 1.90 2.14 2gh4A1 ARG 83 HB3 0.02 -0.04 0.11 -0.04 1.80 1.85 2gh4A1 ARG 83 HG2 0.09 0.04 0.15 -0.04 1.67 1.90 2gh4A1 ARG 83 HG3 0.05 -0.03 0.08 -0.04 1.67 1.74 2gh4A1 ARG 83 HD2 -0.02 0.03 0.02 -0.04 3.22 3.20 2gh4A1 ARG 83 HD3 -0.03 0.08 -0.00 -0.04 3.22 3.23 2gh4A1 ARG 84 H -0.15 0.26 0.29 -0.55 8.46 8.31 2gh4A1 ARG 84 HA 0.09 0.14 0.28 -0.75 4.34 4.09 2gh4A1 ARG 84 HB2 -0.15 -0.04 0.12 -0.04 1.90 1.78 2gh4A1 ARG 84 HB3 -0.12 0.06 0.12 -0.04 1.80 1.83 2gh4A1 ARG 84 HG2 -0.60 0.04 0.03 -0.04 1.67 1.11 2gh4A1 ARG 84 HG3 -0.62 0.20 0.15 -0.04 1.67 1.36 2gh4A1 ARG 84 HD2 -0.25 -0.04 0.09 -0.04 3.22 2.98 2gh4A1 ARG 84 HD3 -0.22 0.01 0.05 -0.04 3.22 3.02 2gh4A1 ASP 85 H -0.03 -0.01 -0.35 -0.55 8.40 7.46 2gh4A1 ASP 85 HA -0.06 0.37 0.95 -0.75 4.63 5.13 2gh4A1 ASP 85 HB2 -0.02 -0.09 0.21 -0.04 2.71 2.77 2gh4A1 ASP 85 HB3 -0.04 0.09 -0.00 -0.04 2.70 2.71 2gh4A1 GLU 86 H -0.02 0.43 -0.06 -0.55 8.60 8.41 2gh4A1 GLU 86 HA -0.13 0.35 1.24 -0.75 4.29 5.01 2gh4A1 GLU 86 HB2 -0.00 -0.06 0.10 -0.04 2.09 2.09 2gh4A1 GLU 86 HB3 -0.10 -0.09 0.12 -0.04 1.99 1.88 2gh4A1 GLU 86 HG2 -0.05 -0.00 -0.13 -0.04 2.34 2.12 2gh4A1 GLU 86 HG3 -0.00 -0.05 -0.03 -0.04 2.34 2.22 2gh4A1 LEU 87 H -0.24 0.53 0.31 -0.55 8.37 8.43 2gh4A1 LEU 87 HA -0.20 0.18 0.43 -0.75 4.35 4.01 2gh4A1 LEU 87 HB2 -0.18 -0.09 0.18 -0.04 1.64 1.52 2gh4A1 LEU 87 HB3 -0.07 -0.03 0.02 -0.04 1.64 1.52 2gh4A1 LEU 87 HG -0.06 0.22 0.11 -0.04 1.64 1.87 2gh4A1 LEU 87 HD13 0.22 -0.01 0.01 -0.04 0.93 1.11 2gh4A1 LEU 87 HD23 -0.17 0.01 -0.02 -0.04 0.89 0.67 2gh4A1 ASP 88 H -0.22 0.10 -0.09 -0.55 8.40 7.65 2gh4A1 ASP 88 HA -0.22 0.03 0.31 -0.75 4.63 4.01 2gh4A1 ASP 88 HB2 0.03 0.02 0.05 -0.04 2.71 2.76 2gh4A1 ASP 88 HB3 0.18 -0.05 0.01 -0.04 2.70 2.80 2gh4A1 ALA 89 H -0.03 0.32 -0.58 -0.55 8.40 7.57 2gh4A1 ALA 89 HA 0.15 -0.00 0.47 -0.75 4.34 4.20 2gh4A1 ALA 89 HB3 0.16 0.04 0.07 -0.04 1.41 1.64 2gh4A1 ILE 90 H -0.17 0.51 -0.21 -0.55 8.25 7.83 2gh4A1 ILE 90 HA -0.37 0.09 0.50 -0.75 4.18 3.65 2gh4A1 ILE 90 HB -0.26 0.17 0.07 -0.04 1.89 1.83 2gh4A1 ILE 90 HG12 -0.55 0.04 -0.02 -0.04 1.49 0.92 2gh4A1 ILE 90 HG13 -0.32 -0.01 0.04 -0.04 1.21 0.87 2gh4A1 ILE 90 HG23 -0.66 -0.02 -0.07 -0.04 0.93 0.15 2gh4A1 ILE 90 HD13 -0.66 -0.02 -0.01 -0.04 0.88 0.15 2gh4A1 GLN 91 H -0.19 0.15 -0.15 -0.55 8.47 7.74 2gh4A1 GLN 91 HA -0.20 0.18 0.38 -0.75 4.36 3.97 2gh4A1 GLN 91 HB2 -0.29 -0.02 0.17 -0.04 2.15 1.96 2gh4A1 GLN 91 HB3 -0.15 -0.09 0.09 -0.04 2.02 1.82 2gh4A1 GLN 91 HG2 -0.58 0.13 -0.00 -0.04 2.40 1.90 2gh4A1 GLN 91 HG3 -0.35 -0.07 -0.08 -0.04 2.39 1.85 2gh4A1 GLN 91 HE21 0.07 0.02 -0.60 -0.04 6.97 6.42 2gh4A1 GLN 91 HE22 0.07 0.06 -0.15 -0.04 7.69 7.63 2gh4A1 ALA 92 H -0.24 0.19 -0.33 -0.55 8.40 7.47 2gh4A1 ALA 92 HA -0.26 -0.00 0.35 -0.75 4.34 3.67 2gh4A1 ALA 92 HB3 -1.24 0.05 -0.07 -0.04 1.41 0.11 2gh4A1 GLY 93 H 0.00 0.51 -0.58 -0.55 8.43 7.82 2gh4A1 GLY 93 HA2 0.44 0.01 0.34 -0.51 4.01 4.28 2gh4A1 GLY 93 HA3 0.01 0.13 0.27 -0.51 4.01 3.91 2gh4A1 LEU 94 H 0.18 0.58 -0.36 -0.55 8.37 8.22 2gh4A1 LEU 94 HA 0.58 0.03 0.38 -0.75 4.35 4.58 2gh4A1 LEU 94 HB2 0.10 0.08 0.05 -0.04 1.64 1.83 2gh4A1 LEU 94 HB3 0.18 -0.02 -0.03 -0.04 1.64 1.73 2gh4A1 LEU 94 HG 0.15 0.05 0.04 -0.04 1.64 1.84 2gh4A1 LEU 94 HD13 -0.09 -0.01 -0.03 -0.04 0.93 0.76 2gh4A1 LEU 94 HD23 0.17 -0.04 -0.18 -0.04 0.89 0.80 2gh4A1 ILE 95 H 0.11 0.49 -0.29 -0.55 8.25 8.01 2gh4A1 ILE 95 HA 0.09 0.09 0.43 -0.75 4.18 4.03 2gh4A1 ILE 95 HB -0.02 -0.04 0.02 -0.04 1.89 1.81 2gh4A1 ILE 95 HG12 0.12 0.38 0.06 -0.04 1.49 2.01 2gh4A1 ILE 95 HG13 0.10 -0.03 -0.41 -0.04 1.21 0.84 2gh4A1 ILE 95 HG23 -0.04 -0.00 -0.04 -0.04 0.93 0.81 2gh4A1 ILE 95 HD13 0.12 -0.02 -0.07 -0.04 0.88 0.87 2gh4A1 LEU 96 H 0.12 0.44 -0.38 -0.55 8.37 8.00 2gh4A1 LEU 96 HA -0.10 -0.00 0.38 -0.75 4.35 3.88 2gh4A1 LEU 96 HB2 -0.22 0.21 0.10 -0.04 1.64 1.69 2gh4A1 LEU 96 HB3 -0.09 -0.02 0.01 -0.04 1.64 1.50 2gh4A1 LEU 96 HG 0.28 -0.01 0.04 -0.04 1.64 1.90 2gh4A1 LEU 96 HD13 0.02 0.03 -0.02 -0.04 0.93 0.92 2gh4A1 LEU 96 HD23 0.16 -0.02 -0.03 -0.04 0.89 0.96 2gh4A1 PHE 97 H 0.09 0.33 -0.29 -0.55 8.34 7.91 2gh4A1 PHE 97 HA 0.16 0.04 0.46 -0.75 4.62 4.53 2gh4A1 PHE 97 HB2 0.10 0.15 0.11 -0.04 3.15 3.48 2gh4A1 PHE 97 HB3 0.10 0.00 -0.01 -0.04 3.06 3.11 2gh4A1 PHE 97 HD2 0.07 0.06 0.02 -0.04 7.28 7.38 2gh4A1 PHE 97 HE2 -0.16 -0.02 -0.14 -0.04 7.38 7.02 2gh4A1 PHE 97 HZ -0.47 -0.01 -0.09 -0.04 7.32 6.71 2gh4A1 PRO 98 HA 0.26 0.09 0.46 -0.51 4.44 4.74 2gh4A1 PRO 98 HB2 0.35 0.01 -0.02 -0.04 2.28 2.58 2gh4A1 PRO 98 HB3 0.29 0.05 0.06 -0.04 2.02 2.37 2gh4A1 PRO 98 HG2 0.10 0.15 0.08 -0.04 2.03 2.31 2gh4A1 PRO 98 HG3 0.18 0.02 0.05 -0.04 2.03 2.23 2gh4A1 PRO 98 HD2 0.22 0.06 -0.12 -0.04 3.68 3.80 2gh4A1 PRO 98 HD3 0.28 0.13 0.11 -0.04 3.65 4.12 2gh4A1 LEU 99 H 0.02 0.39 -0.36 -0.55 8.37 7.87 2gh4A1 LEU 99 HA 0.05 0.05 0.41 -0.75 4.35 4.10 2gh4A1 LEU 99 HB2 -0.47 0.08 0.09 -0.04 1.64 1.30 2gh4A1 LEU 99 HB3 -0.95 -0.07 -0.03 -0.04 1.64 0.55 2gh4A1 LEU 99 HG -0.26 0.20 0.02 -0.04 1.64 1.55 2gh4A1 LEU 99 HD13 -0.43 -0.02 -0.14 -0.04 0.93 0.30 2gh4A1 LEU 99 HD23 -0.73 -0.03 -0.05 -0.04 0.89 0.05 2gh4A1 TYR 100 H 0.16 0.54 -0.20 -0.55 8.29 8.25 2gh4A1 TYR 100 HA 0.25 -0.07 0.54 -0.75 4.56 4.53 2gh4A1 TYR 100 HB2 0.13 -0.03 0.05 -0.04 3.06 3.17 2gh4A1 TYR 100 HB3 0.08 0.15 0.15 -0.04 2.98 3.33 2gh4A1 TYR 100 HD2 0.13 0.07 -0.16 -0.04 7.15 7.14 2gh4A1 TYR 100 HE2 0.05 0.06 -0.25 -0.04 6.85 6.66 2gh4A1 GLU 101 H 0.19 0.60 -0.07 -0.55 8.60 8.78 2gh4A1 GLU 101 HA -0.11 0.03 0.37 -0.75 4.29 3.82 2gh4A1 GLU 101 HB2 0.16 0.01 0.10 -0.04 2.09 2.32 2gh4A1 GLU 101 HB3 0.18 0.05 0.14 -0.04 1.99 2.31 2gh4A1 GLU 101 HG2 0.11 -0.03 -0.02 -0.04 2.34 2.36 2gh4A1 GLU 101 HG3 0.10 0.02 -0.19 -0.04 2.34 2.23 2gh4A1 GLN 102 H 0.14 0.24 -0.51 -0.55 8.47 7.80 2gh4A1 GLN 102 HA 0.06 0.14 0.68 -0.75 4.36 4.48 2gh4A1 GLN 102 HB2 0.23 0.00 0.05 -0.04 2.15 2.40 2gh4A1 GLN 102 HB3 0.19 0.04 0.10 -0.04 2.02 2.31 2gh4A1 GLN 102 HG2 -1.12 -0.08 -0.04 -0.04 2.40 1.13 2gh4A1 GLN 102 HG3 -0.18 -0.00 -0.15 -0.04 2.39 2.02 2gh4A1 GLN 102 HE21 0.03 -0.01 0.02 -0.04 6.97 6.98 2gh4A1 GLN 102 HE22 -0.14 -0.04 0.01 -0.04 7.69 7.48 2gh4A1 THR 103 H 0.11 0.25 -0.06 -0.55 8.28 8.03 2gh4A1 THR 103 HA 0.07 0.25 1.02 -0.75 4.39 4.97 2gh4A1 THR 103 HB 0.18 -0.05 0.09 -0.04 4.32 4.50 2gh4A1 THR 103 HG23 0.29 0.02 -0.02 -0.04 1.22 1.47 2gh4A1 LYS 104 H -0.11 0.78 0.20 -0.55 8.42 8.73 2gh4A1 LYS 104 HA -0.59 0.07 0.29 -0.75 4.32 3.34 2gh4A1 LYS 104 HB2 -0.02 0.27 0.05 -0.04 1.87 2.12 2gh4A1 LYS 104 HB3 -0.04 -0.10 0.20 -0.04 1.79 1.81 2gh4A1 LYS 104 HG2 -0.11 0.07 -0.33 -0.04 1.46 1.04 2gh4A1 LYS 104 HG3 -0.06 -0.04 -0.09 -0.04 1.46 1.23 2gh4A1 LYS 104 HD2 -0.17 -0.08 0.01 -0.04 1.69 1.41 2gh4A1 LYS 104 HD3 -0.56 0.07 -0.00 -0.04 1.68 1.14 2gh4A1 LYS 104 HE2 -0.07 -0.05 -0.02 -0.04 2.99 2.81 2gh4A1 LYS 104 HE3 -0.12 -0.05 -0.01 -0.04 2.99 2.78 2gh4A1 ASP 105 H 0.24 0.06 -0.32 -0.55 8.40 7.82 2gh4A1 ASP 105 HA 0.07 0.13 0.55 -0.75 4.63 4.63 2gh4A1 ASP 105 HB2 0.10 0.13 0.02 -0.04 2.71 2.92 2gh4A1 ASP 105 HB3 0.01 -0.05 0.12 -0.04 2.70 2.74 2gh4A1 GLU 106 H 0.07 0.29 0.20 -0.55 8.60 8.62 2gh4A1 GLU 106 HA 0.02 0.05 0.31 -0.75 4.29 3.91 2gh4A1 GLU 106 HB2 -0.01 0.03 0.07 -0.04 2.09 2.14 2gh4A1 GLU 106 HB3 -0.03 -0.00 0.08 -0.04 1.99 2.00 2gh4A1 GLU 106 HG2 0.10 0.12 0.13 -0.04 2.34 2.65 2gh4A1 GLU 106 HG3 0.04 0.02 0.05 -0.04 2.34 2.41 2gh4A1 ARG 107 H -0.17 0.09 -0.53 -0.55 8.46 7.30 2gh4A1 ARG 107 HA -0.15 0.09 0.28 -0.75 4.34 3.81 2gh4A1 ARG 107 HB2 -0.55 -0.03 -0.03 -0.04 1.90 1.25 2gh4A1 ARG 107 HB3 -0.32 0.08 -0.11 -0.04 1.80 1.40 2gh4A1 ARG 107 HG2 -0.14 0.03 -0.16 -0.04 1.67 1.35 2gh4A1 ARG 107 HG3 -0.15 -0.07 -0.02 -0.04 1.67 1.39 2gh4A1 ARG 107 HD2 -0.11 -0.00 0.03 -0.04 3.22 3.10 2gh4A1 ARG 107 HD3 -0.19 -0.05 -0.03 -0.04 3.22 2.91 2gh4A1 TYR 108 H -0.29 0.42 -0.19 -0.55 8.29 7.68 2gh4A1 TYR 108 HA -0.07 0.08 0.44 -0.75 4.56 4.25 2gh4A1 TYR 108 HB2 0.08 0.08 0.05 -0.04 3.06 3.23 2gh4A1 TYR 108 HB3 -0.00 0.02 0.06 -0.04 2.98 3.01 2gh4A1 TYR 108 HD2 0.08 0.01 -0.09 -0.04 7.15 7.11 2gh4A1 TYR 108 HE2 0.04 0.03 -0.09 -0.04 6.85 6.78 2gh4A1 VAL 109 H -0.15 0.19 -0.22 -0.55 8.24 7.51 2gh4A1 VAL 109 HA -0.23 0.07 0.45 -0.75 4.13 3.67 2gh4A1 VAL 109 HB -0.85 0.00 0.02 -0.04 2.12 1.26 2gh4A1 VAL 109 HG13 -0.17 0.04 0.01 -0.04 0.97 0.81 2gh4A1 VAL 109 HG23 -0.25 0.01 -0.04 -0.04 0.95 0.63 2gh4A1 LYS 110 H -0.10 0.54 -0.19 -0.55 8.42 8.10 2gh4A1 LYS 110 HA -0.04 0.02 0.43 -0.75 4.32 3.97 2gh4A1 LYS 110 HB2 -0.09 0.08 0.14 -0.04 1.87 1.96 2gh4A1 LYS 110 HB3 -0.07 0.03 0.02 -0.04 1.79 1.73 2gh4A1 LYS 110 HG2 -0.05 -0.05 -0.00 -0.04 1.46 1.32 2gh4A1 LYS 110 HG3 -0.07 0.13 0.01 -0.04 1.46 1.49 2gh4A1 LYS 110 HD2 -0.07 -0.07 -0.25 -0.04 1.69 1.25 2gh4A1 LYS 110 HD3 -0.06 0.15 -0.06 -0.04 1.68 1.68 2gh4A1 LYS 110 HE2 -0.03 -0.02 -0.04 -0.04 2.99 2.86 2gh4A1 LYS 110 HE3 -0.04 -0.06 -0.09 -0.04 2.99 2.76 2gh4A1 ALA 111 H -0.09 0.40 -0.19 -0.55 8.40 7.97 2gh4A1 ALA 111 HA -0.17 0.16 0.49 -0.75 4.34 4.07 2gh4A1 ALA 111 HB3 -0.21 0.01 0.06 -0.04 1.41 1.23 2gh4A1 ALA 112 H -0.05 0.51 -0.21 -0.55 8.40 8.11 2gh4A1 ALA 112 HA 0.09 -0.02 0.40 -0.75 4.34 4.05 2gh4A1 ALA 112 HB3 0.07 0.03 0.08 -0.04 1.41 1.56 2gh4A1 LYS 113 H 0.06 0.48 -0.35 -0.55 8.42 8.05 2gh4A1 LYS 113 HA 0.07 -0.01 0.43 -0.75 4.32 4.06 2gh4A1 LYS 113 HB2 0.15 0.03 0.09 -0.04 1.87 2.10 2gh4A1 LYS 113 HB3 0.03 0.16 0.12 -0.04 1.79 2.06 2gh4A1 LYS 113 HG2 0.02 0.01 -0.18 -0.04 1.46 1.27 2gh4A1 LYS 113 HG3 0.05 -0.09 0.05 -0.04 1.46 1.43 2gh4A1 LYS 113 HD2 0.12 0.00 -0.01 -0.04 1.69 1.76 2gh4A1 LYS 113 HD3 0.04 0.01 -0.02 -0.04 1.68 1.66 2gh4A1 LYS 113 HE2 0.03 -0.00 -0.03 -0.04 2.99 2.94 2gh4A1 LYS 113 HE3 0.07 -0.03 -0.02 -0.04 2.99 2.97 2gh4A1 ARG 114 H -0.08 0.44 -0.29 -0.55 8.46 7.98 2gh4A1 ARG 114 HA -0.04 0.03 0.46 -0.75 4.34 4.03 2gh4A1 ARG 114 HB2 -0.16 0.20 0.19 -0.04 1.90 2.09 2gh4A1 ARG 114 HB3 0.03 -0.07 0.02 -0.04 1.80 1.74 2gh4A1 ARG 114 HG2 -0.02 -0.08 0.04 -0.04 1.67 1.58 2gh4A1 ARG 114 HG3 -0.05 0.21 0.09 -0.04 1.67 1.87 2gh4A1 ARG 114 HD2 -0.08 0.17 0.10 -0.04 3.22 3.37 2gh4A1 ARG 114 HD3 0.04 -0.06 0.08 -0.04 3.22 3.24 2gh4A1 LEU 115 H -0.26 0.41 -0.21 -0.55 8.37 7.76 2gh4A1 LEU 115 HA -0.57 0.03 0.40 -0.75 4.35 3.46 2gh4A1 LEU 115 HB2 -0.48 0.13 0.13 -0.04 1.64 1.38 2gh4A1 LEU 115 HB3 -0.75 -0.08 0.01 -0.04 1.64 0.78 2gh4A1 LEU 115 HG -0.58 0.21 0.01 -0.04 1.64 1.24 2gh4A1 LEU 115 HD13 -0.26 -0.02 -0.03 -0.04 0.93 0.59 2gh4A1 LEU 115 HD23 -1.17 -0.01 -0.16 -0.04 0.89 -0.50 2gh4A1 ARG 116 H -0.11 0.63 -0.06 -0.55 8.46 8.37 2gh4A1 ARG 116 HA -0.02 -0.01 0.42 -0.75 4.34 3.98 2gh4A1 ARG 116 HB2 -0.48 0.03 0.08 -0.04 1.90 1.48 2gh4A1 ARG 116 HB3 -0.47 0.09 0.12 -0.04 1.80 1.50 2gh4A1 ARG 116 HG2 -0.05 -0.07 0.06 -0.04 1.67 1.56 2gh4A1 ARG 116 HG3 -1.39 -0.02 -0.03 -0.04 1.67 0.19 2gh4A1 ARG 116 HD2 -0.30 0.04 -0.10 -0.04 3.22 2.83 2gh4A1 ARG 116 HD3 -0.10 0.03 -0.49 -0.04 3.22 2.61 2gh4A1 SER 117 H -0.13 0.47 -0.42 -0.55 8.46 7.84 2gh4A1 SER 117 HA -0.03 -0.00 0.42 -0.75 4.49 4.13 2gh4A1 SER 117 HB2 -0.05 0.16 0.09 -0.04 3.95 4.11 2gh4A1 SER 117 HB3 -0.03 -0.09 0.09 -0.04 3.93 3.86 2gh4A1 LEU 118 H -0.24 0.39 -0.64 -0.55 8.37 7.33 2gh4A1 LEU 118 HA -0.10 0.04 0.40 -0.75 4.35 3.93 2gh4A1 LEU 118 HB2 -0.44 0.36 0.14 -0.04 1.64 1.67 2gh4A1 LEU 118 HB3 -0.31 -0.09 -0.13 -0.04 1.64 1.07 2gh4A1 LEU 118 HG -0.03 0.11 0.04 -0.04 1.64 1.71 2gh4A1 LEU 118 HD13 -0.10 -0.03 -0.09 -0.04 0.93 0.66 2gh4A1 LEU 118 HD23 0.04 -0.01 0.04 -0.04 0.89 0.92 2gh4A1 TYR 119 H -0.36 0.35 -0.18 -0.55 8.29 7.55 2gh4A1 TYR 119 HA -0.37 -0.01 0.34 -0.75 4.56 3.76 2gh4A1 TYR 119 HB2 -0.00 0.08 0.07 -0.04 3.06 3.17 2gh4A1 TYR 119 HB3 0.15 -0.02 0.00 -0.04 2.98 3.07 2gh4A1 TYR 119 HD2 -0.38 0.10 0.09 -0.04 7.15 6.92 2gh4A1 TYR 119 HE2 0.02 -0.06 0.03 -0.04 6.85 6.80 2gh4A1 GLY 120 H 0.07 0.24 -0.37 -0.55 8.43 7.83 2gh4A1 GLY 120 HA2 0.10 0.05 0.40 -0.51 4.01 4.05 2gh4A1 GLY 120 HA3 0.05 0.00 0.27 -0.51 4.01 3.82 2gh4A1 THR 121 H -0.04 0.54 -0.30 -0.55 8.28 7.93 2gh4A1 THR 121 HA -0.04 0.12 0.77 -0.75 4.39 4.49 2gh4A1 THR 121 HB -0.06 -0.10 0.11 -0.04 4.32 4.22 2gh4A1 THR 121 HG23 -0.04 0.01 -0.01 -0.04 1.22 1.14 2gh4A1 LEU 122 H -0.06 0.30 -0.13 -0.55 8.37 7.94 2gh4A1 LEU 122 HA -0.15 -0.02 0.55 -0.75 4.35 3.98 2gh4A1 LEU 122 HB2 -0.09 0.10 0.06 -0.04 1.64 1.66 2gh4A1 LEU 122 HB3 -0.09 -0.03 0.03 -0.04 1.64 1.51 2gh4A1 LEU 122 HG -0.23 0.24 -0.11 -0.04 1.64 1.50 2gh4A1 LEU 122 HD13 -0.52 -0.02 -0.14 -0.04 0.93 0.21 2gh4A1 LEU 122 HD23 -0.13 -0.00 -0.15 -0.04 0.89 0.56 2gh4A1 ASN 123 H -0.40 0.01 0.17 -0.55 8.53 7.75 2gh4A1 ASN 123 HA -0.51 0.17 0.55 -0.75 4.76 4.20 2gh4A1 ASN 123 HB2 -2.00 -0.10 0.11 -0.04 2.88 0.85 2gh4A1 ASN 123 HB3 -2.29 0.01 0.10 -0.04 2.79 0.57 2gh4A1 ASN 123 HD21 -0.29 0.02 -0.01 -0.04 7.03 6.71 2gh4A1 ASN 123 HD22 -0.43 0.05 0.01 -0.04 7.74 7.32 2gh4A1 ARG 124 H -0.49 0.21 0.16 -0.55 8.46 7.79 2gh4A1 ARG 124 HA 0.02 0.17 0.85 -0.75 4.34 4.62 2gh4A1 ARG 124 HB2 -0.02 0.02 -0.11 -0.04 1.90 1.75 2gh4A1 ARG 124 HB3 0.03 -0.16 -0.28 -0.04 1.80 1.34 2gh4A1 ARG 124 HG2 -0.03 0.00 -0.43 -0.04 1.67 1.16 2gh4A1 ARG 124 HG3 0.01 0.06 -0.68 -0.04 1.67 1.02 2gh4A1 ARG 124 HD2 -0.02 -0.04 -0.11 -0.04 3.22 3.02 2gh4A1 ARG 124 HD3 -0.07 -0.03 -0.09 -0.04 3.22 2.99 2gh4A1 THR 125 H 0.27 0.57 0.15 -0.55 8.28 8.73 2gh4A1 THR 125 HA 0.51 0.11 0.57 -0.75 4.39 4.82 2gh4A1 THR 125 HB 0.39 -0.01 0.17 -0.04 4.32 4.82 2gh4A1 THR 125 HG23 0.37 0.06 -0.08 -0.04 1.22 1.53 2gh4A1 SER 126 H 0.37 0.16 0.15 -0.55 8.46 8.60 2gh4A1 SER 126 HA 0.21 0.14 0.31 -0.75 4.49 4.39 2gh4A1 SER 126 HB2 0.14 0.06 0.08 -0.04 3.95 4.19 2gh4A1 SER 126 HB3 0.17 0.01 0.13 -0.04 3.93 4.21 2gh4A1 GLU 127 H 0.26 -0.05 -0.36 -0.55 8.60 7.90 2gh4A1 GLU 127 HA 0.13 0.24 0.71 -0.75 4.29 4.61 2gh4A1 GLU 127 HB2 0.25 -0.09 -0.02 -0.04 2.09 2.19 2gh4A1 GLU 127 HB3 0.15 0.05 0.08 -0.04 1.99 2.22 2gh4A1 GLU 127 HG2 0.15 0.07 -0.04 -0.04 2.34 2.48 2gh4A1 GLU 127 HG3 0.23 -0.10 -0.11 -0.04 2.34 2.33 2gh4A1 GLY 128 H 0.15 0.44 -0.34 -0.55 8.43 8.13 2gh4A1 GLY 128 HA2 0.01 0.09 0.17 -0.51 4.01 3.77 2gh4A1 GLY 128 HA3 0.00 0.20 0.70 -0.51 4.01 4.41 2gh4A1 GLY 129 H 0.18 -0.07 -0.11 -0.55 8.43 7.89 2gh4A1 GLY 129 HA2 -0.00 0.12 0.48 -0.51 4.01 4.11 2gh4A1 GLY 129 HA3 0.24 0.00 0.22 -0.51 4.01 3.96 2gh4A1 PHE 130 H -0.00 0.09 0.13 -0.55 8.34 8.01 2gh4A1 PHE 130 HA 0.10 0.23 0.43 -0.75 4.62 4.63 2gh4A1 PHE 130 HB2 0.17 -0.14 0.05 -0.04 3.15 3.19 2gh4A1 PHE 130 HB3 0.12 0.15 -0.01 -0.04 3.06 3.27 2gh4A1 PHE 130 HD2 0.09 0.02 -0.06 -0.04 7.28 7.29 2gh4A1 PHE 130 HE2 0.04 0.10 -0.01 -0.04 7.38 7.46 2gh4A1 PHE 130 HZ 0.05 -0.03 -0.01 -0.04 7.32 7.29 2gh4A1 TRP 131 H 0.33 0.56 0.20 -0.55 7.97 8.51 2gh4A1 TRP 131 HA 0.12 0.03 0.43 -0.75 4.62 4.44 2gh4A1 TRP 131 HB2 0.02 0.01 -0.04 -0.04 3.23 3.17 2gh4A1 TRP 131 HB3 0.03 0.12 -0.02 -0.04 3.23 3.32 2gh4A1 TRP 131 HD1 -0.06 0.09 -0.28 -0.04 7.22 6.93 2gh4A1 TRP 131 HE1 -0.96 0.27 -0.30 -0.04 10.20 9.17 2gh4A1 TRP 131 HE3 -0.05 0.05 -0.04 -0.04 7.59 7.52 2gh4A1 TRP 131 HZ2 -0.57 0.08 0.01 -0.04 7.44 6.92 2gh4A1 TRP 131 HZ3 -0.05 0.09 0.10 -0.04 7.13 7.23 2gh4A1 TRP 131 HH2 -0.06 0.05 0.03 -0.04 7.19 7.18 2gh4A1 HIS 132 H 0.23 0.54 0.37 -0.55 8.41 9.01 2gh4A1 HIS 132 HA 0.01 0.01 0.48 -0.75 4.63 4.38 2gh4A1 HIS 132 HB2 -0.46 0.01 0.20 -0.04 3.26 2.97 2gh4A1 HIS 132 HB3 -0.64 -0.00 0.15 -0.04 3.20 2.67 2gh4A1 HIS 132 HD2 -1.51 0.03 -0.06 -0.04 6.97 5.39 2gh4A1 HIS 132 HE1 -0.03 -0.03 -0.07 -0.04 7.75 7.58 2gh4A1 LYS 133 H 0.18 0.30 -0.02 -0.55 8.42 8.32 2gh4A1 LYS 133 HA -0.02 0.48 0.65 -0.75 4.32 4.67 2gh4A1 LYS 133 HB2 -0.02 -0.06 -0.11 -0.04 1.87 1.64 2gh4A1 LYS 133 HB3 -0.07 -0.08 0.05 -0.04 1.79 1.64 2gh4A1 LYS 133 HG2 -0.19 0.01 0.08 -0.04 1.46 1.32 2gh4A1 LYS 133 HG3 -0.29 -0.06 -0.42 -0.04 1.46 0.65 2gh4A1 LYS 133 HD2 0.04 0.02 -0.09 -0.04 1.69 1.61 2gh4A1 LYS 133 HD3 -0.05 0.01 -0.05 -0.04 1.68 1.56 2gh4A1 LYS 133 HE2 -0.04 -0.07 -0.00 -0.04 2.99 2.84 2gh4A1 LYS 133 HE3 0.05 -0.01 -0.05 -0.04 2.99 2.93 2gh4A1 ASP 134 H 0.04 0.23 0.14 -0.55 8.40 8.26 2gh4A1 ASP 134 HA 0.45 0.11 0.42 -0.75 4.63 4.86 2gh4A1 ASP 134 HB2 0.02 -0.08 0.14 -0.04 2.71 2.75 2gh4A1 ASP 134 HB3 0.09 0.06 -0.01 -0.04 2.70 2.81 2gh4A1 GLY 135 H -0.09 0.01 -0.23 -0.55 8.43 7.57 2gh4A1 GLY 135 HA2 -0.11 0.15 0.40 -0.51 4.01 3.94 2gh4A1 GLY 135 HA3 -0.30 -0.01 0.25 -0.51 4.01 3.43 2gh4A1 TYR 136 H -0.00 0.33 -0.82 -0.55 8.29 7.24 2gh4A1 TYR 136 HA -0.01 0.21 0.77 -0.75 4.56 4.78 2gh4A1 TYR 136 HB2 -0.09 -0.15 0.16 -0.04 3.06 2.94 2gh4A1 TYR 136 HB3 0.09 -0.03 0.14 -0.04 2.98 3.14 2gh4A1 TYR 136 HD2 -0.03 0.02 -0.05 -0.04 7.15 7.04 2gh4A1 TYR 136 HE2 0.10 0.01 -0.06 -0.04 6.85 6.86 2gh4A1 PRO 137 HA -2.58 -0.02 0.47 -0.51 4.44 1.80 2gh4A1 PRO 137 HB2 -0.69 0.02 -0.00 -0.04 2.28 1.56 2gh4A1 PRO 137 HB3 -0.98 0.10 0.12 -0.04 2.02 1.21 2gh4A1 PRO 137 HG2 -0.24 -0.04 0.05 -0.04 2.03 1.75 2gh4A1 PRO 137 HG3 -0.18 0.08 0.03 -0.04 2.03 1.91 2gh4A1 PRO 137 HD2 -0.10 0.16 -0.13 -0.04 3.68 3.57 2gh4A1 PRO 137 HD3 -0.16 0.31 -0.15 -0.04 3.65 3.61 2gh4A1 TYR 138 H -3.45 0.17 0.15 -0.55 8.29 4.61 2gh4A1 TYR 138 HA -0.33 0.05 0.27 -0.75 4.56 3.79 2gh4A1 TYR 138 HB2 -0.43 0.22 -0.23 -0.04 3.06 2.58 2gh4A1 TYR 138 HB3 -0.34 -0.23 0.26 -0.04 2.98 2.63 2gh4A1 TYR 138 HD2 -0.13 -0.06 -0.05 -0.04 7.15 6.86 2gh4A1 TYR 138 HE2 0.20 -0.03 0.03 -0.04 6.85 7.01 2gh4A1 GLN 139 H -0.21 0.36 -0.18 -0.55 8.47 7.90 2gh4A1 GLN 139 HA 0.11 0.37 1.23 -0.75 4.36 5.32 2gh4A1 GLN 139 HB2 0.28 0.03 0.11 -0.04 2.15 2.52 2gh4A1 GLN 139 HB3 0.70 -0.07 -0.08 -0.04 2.02 2.52 2gh4A1 GLN 139 HG2 0.16 -0.06 -0.12 -0.04 2.40 2.34 2gh4A1 GLN 139 HG3 -0.03 0.20 -0.33 -0.04 2.39 2.20 2gh4A1 GLN 139 HE21 0.26 0.04 -0.02 -0.04 6.97 7.21 2gh4A1 GLN 139 HE22 -0.02 0.18 -0.14 -0.04 7.69 7.66 2gh4A1 MET 140 H 0.43 0.70 0.37 -0.55 8.47 9.43 2gh4A1 MET 140 HA 0.40 0.19 0.92 -0.75 4.52 5.28 2gh4A1 MET 140 HB2 0.66 0.00 0.13 -0.04 2.15 2.90 2gh4A1 MET 140 HB3 0.45 0.01 -0.03 -0.04 2.03 2.42 2gh4A1 MET 140 HG2 0.42 0.27 -0.23 -0.04 2.63 3.06 2gh4A1 MET 140 HG3 0.55 -0.04 -0.19 -0.04 2.56 2.83 2gh4A1 MET 140 HE3 0.29 0.02 -0.03 -0.04 2.10 2.34 2gh4A1 TRP 141 H 0.38 0.20 0.19 -0.55 7.97 8.19 2gh4A1 TRP 141 HA 0.01 0.29 1.07 -0.75 4.62 5.24 2gh4A1 TRP 141 HB2 -0.60 -0.07 0.14 -0.04 3.23 2.66 2gh4A1 TRP 141 HB3 -0.17 -0.04 0.09 -0.04 3.23 3.06 2gh4A1 TRP 141 HD1 -0.02 -0.05 -0.84 -0.04 7.22 6.27 2gh4A1 TRP 141 HE1 -0.07 0.05 -0.11 -0.04 10.20 10.03 2gh4A1 TRP 141 HE3 -0.22 -0.02 0.01 -0.04 7.59 7.31 2gh4A1 TRP 141 HZ2 -1.09 0.09 -0.00 -0.04 7.44 6.39 2gh4A1 TRP 141 HZ3 0.08 0.12 0.04 -0.04 7.13 7.32 2gh4A1 TRP 141 HH2 -0.33 0.05 0.04 -0.04 7.19 6.91 2gh4A1 LEU 142 H 0.38 0.76 0.33 -0.55 8.37 9.29 2gh4A1 LEU 142 HA 0.44 0.09 0.32 -0.75 4.35 4.45 2gh4A1 LEU 142 HB2 0.36 -0.15 0.08 -0.04 1.64 1.89 2gh4A1 LEU 142 HB3 0.41 0.03 -0.03 -0.04 1.64 2.01 2gh4A1 LEU 142 HG 0.31 0.25 0.09 -0.04 1.64 2.24 2gh4A1 LEU 142 HD13 0.12 -0.03 -0.32 -0.04 0.93 0.66 2gh4A1 LEU 142 HD23 0.27 -0.01 -0.12 -0.04 0.89 1.00 2gh4A1 ASN 143 H 0.45 0.10 -0.14 -0.55 8.53 8.38 2gh4A1 ASN 143 HA 0.20 0.07 0.37 -0.75 4.76 4.65 2gh4A1 ASN 143 HB2 0.29 0.01 -0.02 -0.04 2.88 3.11 2gh4A1 ASN 143 HB3 -0.08 0.01 0.04 -0.04 2.79 2.71 2gh4A1 ASN 143 HD21 0.89 -0.00 -0.02 -0.04 7.03 7.86 2gh4A1 ASN 143 HD22 0.72 0.01 -0.01 -0.04 7.74 8.41 2gh4A1 GLY 144 H 0.27 0.40 -0.40 -0.55 8.43 8.14 2gh4A1 GLY 144 HA2 0.13 -0.07 0.34 -0.51 4.01 3.90 2gh4A1 GLY 144 HA3 0.28 0.14 0.30 -0.51 4.01 4.21 2gh4A1 LEU 145 H 0.16 0.62 -0.24 -0.55 8.37 8.37 2gh4A1 LEU 145 HA 0.05 0.05 0.40 -0.75 4.35 4.09 2gh4A1 LEU 145 HB2 -0.02 0.02 0.09 -0.04 1.64 1.69 2gh4A1 LEU 145 HB3 -0.10 0.04 0.06 -0.04 1.64 1.59 2gh4A1 LEU 145 HG -0.27 -0.02 -0.10 -0.04 1.64 1.21 2gh4A1 LEU 145 HD13 -0.11 0.00 -0.01 -0.04 0.93 0.77 2gh4A1 LEU 145 HD23 -1.06 0.01 0.00 -0.04 0.89 -0.19 2gh4A1 TYR 146 H 0.08 0.27 -0.15 -0.55 8.29 7.93 2gh4A1 TYR 146 HA -0.08 0.11 0.51 -0.75 4.56 4.34 2gh4A1 TYR 146 HB2 0.03 0.14 0.08 -0.04 3.06 3.27 2gh4A1 TYR 146 HB3 -0.39 0.02 0.11 -0.04 2.98 2.68 2gh4A1 TYR 146 HD2 -0.54 -0.02 -0.05 -0.04 7.15 6.49 2gh4A1 TYR 146 HE2 -0.09 -0.00 -0.07 -0.04 6.85 6.64 2gh4A1 MET 147 H -0.17 0.32 -0.09 -0.55 8.47 7.98 2gh4A1 MET 147 HA -0.43 -0.01 0.37 -0.75 4.52 3.69 2gh4A1 MET 147 HB2 -0.12 0.04 -0.01 -0.04 2.15 2.01 2gh4A1 MET 147 HB3 -0.22 0.06 -0.33 -0.04 2.03 1.50 2gh4A1 MET 147 HG2 -0.31 0.19 -0.14 -0.04 2.63 2.33 2gh4A1 MET 147 HG3 -0.31 -0.13 -0.12 -0.04 2.56 1.96 2gh4A1 MET 147 HE3 -1.26 0.01 -0.03 -0.04 2.10 0.77 2gh4A1 GLY 148 H -0.02 0.52 -0.17 -0.55 8.43 8.21 2gh4A1 GLY 148 HA2 0.07 0.16 0.82 -0.51 4.01 4.55 2gh4A1 GLY 148 HA3 0.14 0.01 0.26 -0.51 4.01 3.91 2gh4A1 GLY 149 H -0.01 0.46 -0.07 -0.55 8.43 8.27 2gh4A1 GLY 149 HA2 0.05 0.01 0.49 -0.51 4.01 4.05 2gh4A1 GLY 149 HA3 -0.03 0.17 0.41 -0.51 4.01 4.05 2gh4A1 PRO 150 HA 0.00 0.05 0.37 -0.51 4.44 4.36 2gh4A1 PRO 150 HB2 -0.06 0.04 0.02 -0.04 2.28 2.24 2gh4A1 PRO 150 HB3 0.03 0.07 0.01 -0.04 2.02 2.09 2gh4A1 PRO 150 HG2 0.07 0.04 0.08 -0.04 2.03 2.18 2gh4A1 PRO 150 HG3 0.02 0.05 0.07 -0.04 2.03 2.13 2gh4A1 PRO 150 HD2 -0.14 0.31 0.20 -0.04 3.68 4.00 2gh4A1 PRO 150 HD3 -0.06 0.15 0.22 -0.04 3.65 3.91 2gh4A1 PHE 151 H 0.14 0.21 -0.43 -0.55 8.34 7.70 2gh4A1 PHE 151 HA 0.12 0.04 0.28 -0.75 4.62 4.31 2gh4A1 PHE 151 HB2 0.05 0.05 -0.05 -0.04 3.15 3.15 2gh4A1 PHE 151 HB3 0.09 0.06 -0.09 -0.04 3.06 3.08 2gh4A1 PHE 151 HD2 0.27 -0.01 -0.30 -0.04 7.28 7.20 2gh4A1 PHE 151 HE2 -0.04 0.01 -0.08 -0.04 7.38 7.24 2gh4A1 PHE 151 HZ 0.02 0.17 0.08 -0.04 7.32 7.55 2gh4A1 ALA 152 H 0.22 0.37 -0.31 -0.55 8.40 8.14 2gh4A1 ALA 152 HA 0.07 -0.00 0.40 -0.75 4.34 4.05 2gh4A1 ALA 152 HB3 -0.06 0.06 0.16 -0.04 1.41 1.52 2gh4A1 LEU 153 H -0.03 0.40 -0.18 -0.55 8.37 8.01 2gh4A1 LEU 153 HA -0.21 0.01 0.43 -0.75 4.35 3.82 2gh4A1 LEU 153 HB2 0.01 0.09 0.07 -0.04 1.64 1.77 2gh4A1 LEU 153 HB3 0.11 0.04 -0.05 -0.04 1.64 1.70 2gh4A1 LEU 153 HG 0.07 0.13 -0.05 -0.04 1.64 1.75 2gh4A1 LEU 153 HD13 0.27 -0.01 -0.06 -0.04 0.93 1.09 2gh4A1 LEU 153 HD23 0.17 -0.02 -0.14 -0.04 0.89 0.86 2gh4A1 LYS 154 H -0.23 0.59 -0.07 -0.55 8.42 8.15 2gh4A1 LYS 154 HA -0.36 0.07 0.43 -0.75 4.32 3.70 2gh4A1 LYS 154 HB2 -0.84 0.10 0.15 -0.04 1.87 1.25 2gh4A1 LYS 154 HB3 -2.21 -0.05 -0.03 -0.04 1.79 -0.54 2gh4A1 LYS 154 HG2 -0.23 0.06 0.02 -0.04 1.46 1.27 2gh4A1 LYS 154 HG3 -0.33 -0.04 -0.02 -0.04 1.46 1.03 2gh4A1 LYS 154 HD2 -0.43 -0.03 0.01 -0.04 1.69 1.19 2gh4A1 LYS 154 HD3 -0.24 0.02 0.01 -0.04 1.68 1.43 2gh4A1 LYS 154 HE2 -0.04 0.02 -0.04 -0.04 2.99 2.89 2gh4A1 LYS 154 HE3 -0.02 -0.02 -0.02 -0.04 2.99 2.88 2gh4A1 TYR 155 H -0.30 0.57 -0.20 -0.55 8.29 7.82 2gh4A1 TYR 155 HA 0.02 0.02 0.40 -0.75 4.56 4.25 2gh4A1 TYR 155 HB2 -0.46 0.10 0.08 -0.04 3.06 2.73 2gh4A1 TYR 155 HB3 -0.17 0.10 0.06 -0.04 2.98 2.93 2gh4A1 TYR 155 HD2 -0.03 -0.00 -0.16 -0.04 7.15 6.91 2gh4A1 TYR 155 HE2 0.03 -0.01 -0.18 -0.04 6.85 6.64 2gh4A1 ALA 156 H -0.15 0.52 -0.20 -0.55 8.40 8.03 2gh4A1 ALA 156 HA -0.12 -0.09 0.41 -0.75 4.34 3.80 2gh4A1 ALA 156 HB3 -0.70 0.04 0.07 -0.04 1.41 0.78 2gh4A1 ASN 157 H -0.15 0.50 -0.31 -0.55 8.53 8.02 2gh4A1 ASN 157 HA 0.04 0.02 0.50 -0.75 4.76 4.57 2gh4A1 ASN 157 HB2 -0.07 0.10 0.14 -0.04 2.88 3.02 2gh4A1 ASN 157 HB3 0.01 -0.03 0.03 -0.04 2.79 2.76 2gh4A1 ASN 157 HD21 0.20 0.44 0.13 -0.04 7.03 7.75 2gh4A1 ASN 157 HD22 0.03 -0.08 0.02 -0.04 7.74 7.66 2gh4A1 LEU 158 H -0.14 0.34 -0.18 -0.55 8.37 7.84 2gh4A1 LEU 158 HA -0.00 0.07 0.50 -0.75 4.35 4.16 2gh4A1 LEU 158 HB2 0.05 0.05 0.11 -0.04 1.64 1.80 2gh4A1 LEU 158 HB3 -0.18 0.02 0.15 -0.04 1.64 1.58 2gh4A1 LEU 158 HG -0.09 0.00 -0.14 -0.04 1.64 1.37 2gh4A1 LEU 158 HD13 0.20 -0.00 0.02 -0.04 0.93 1.11 2gh4A1 LEU 158 HD23 0.00 -0.03 -0.06 -0.04 0.89 0.76 2gh4A1 LYS 159 H -0.20 0.57 -0.09 -0.55 8.42 8.14 2gh4A1 LYS 159 HA -0.09 0.21 0.88 -0.75 4.32 4.57 2gh4A1 LYS 159 HB2 -0.20 0.03 0.01 -0.04 1.87 1.67 2gh4A1 LYS 159 HB3 -0.05 -0.04 0.09 -0.04 1.79 1.75 2gh4A1 LYS 159 HG2 -0.69 -0.03 -0.17 -0.04 1.46 0.52 2gh4A1 LYS 159 HG3 -0.50 -0.05 -0.05 -0.04 1.46 0.83 2gh4A1 LYS 159 HD2 -0.08 -0.03 -0.00 -0.04 1.69 1.53 2gh4A1 LYS 159 HD3 -0.13 0.18 -0.10 -0.04 1.68 1.60 2gh4A1 LYS 159 HE2 -0.24 -0.02 -0.10 -0.04 2.99 2.60 2gh4A1 LYS 159 HE3 -0.12 -0.03 -0.06 -0.04 2.99 2.74 2gh4A1 GLN 160 H -0.04 0.24 -0.35 -0.55 8.47 7.77 2gh4A1 GLN 160 HA 0.04 0.09 0.35 -0.75 4.36 4.09 2gh4A1 GLN 160 HB2 0.02 0.13 -0.05 -0.04 2.15 2.21 2gh4A1 GLN 160 HB3 0.04 -0.10 0.21 -0.04 2.02 2.12 2gh4A1 GLN 160 HG2 0.03 -0.06 -0.02 -0.04 2.40 2.31 2gh4A1 GLN 160 HG3 0.04 0.05 0.02 -0.04 2.39 2.46 2gh4A1 GLN 160 HE21 0.01 0.17 -0.14 -0.04 6.97 6.97 2gh4A1 GLN 160 HE22 0.02 0.21 -0.03 -0.04 7.69 7.85 2gh4A1 GLU 161 H -0.03 0.34 -0.06 -0.55 8.60 8.30 2gh4A1 GLU 161 HA 0.04 0.18 0.92 -0.75 4.29 4.67 2gh4A1 GLU 161 HB2 0.07 0.02 0.09 -0.04 2.09 2.23 2gh4A1 GLU 161 HB3 0.05 -0.14 0.09 -0.04 1.99 1.95 2gh4A1 GLU 161 HG2 0.07 0.00 -0.02 -0.04 2.34 2.34 2gh4A1 GLU 161 HG3 0.06 0.26 -0.30 -0.04 2.34 2.31 2gh4A1 THR 162 H 0.07 0.35 -0.01 -0.55 8.28 8.15 2gh4A1 THR 162 HA 0.20 0.09 0.34 -0.75 4.39 4.27 2gh4A1 THR 162 HB 0.26 -0.02 0.08 -0.04 4.32 4.61 2gh4A1 THR 162 HG23 0.19 0.05 0.01 -0.04 1.22 1.44 2gh4A1 GLU 163 H 0.04 0.14 -0.35 -0.55 8.60 7.88 2gh4A1 GLU 163 HA 0.05 0.06 0.38 -0.75 4.29 4.03 2gh4A1 GLU 163 HB2 0.04 0.03 0.07 -0.04 2.09 2.19 2gh4A1 GLU 163 HB3 0.02 0.03 0.00 -0.04 1.99 2.01 2gh4A1 GLU 163 HG2 0.02 -0.04 -0.15 -0.04 2.34 2.13 2gh4A1 GLU 163 HG3 0.03 0.01 0.02 -0.04 2.34 2.36 2gh4A1 LEU 164 H -0.08 0.44 -0.28 -0.55 8.37 7.91 2gh4A1 LEU 164 HA -0.09 0.03 0.41 -0.75 4.35 3.94 2gh4A1 LEU 164 HB2 -0.26 0.16 0.12 -0.04 1.64 1.62 2gh4A1 LEU 164 HB3 -0.18 -0.01 -0.02 -0.04 1.64 1.40 2gh4A1 LEU 164 HG -0.03 -0.07 0.02 -0.04 1.64 1.51 2gh4A1 LEU 164 HD13 0.05 0.03 0.02 -0.04 0.93 0.99 2gh4A1 LEU 164 HD23 -0.16 -0.01 0.02 -0.04 0.89 0.70 2gh4A1 PHE 165 H -0.08 0.39 -0.26 -0.55 8.34 7.84 2gh4A1 PHE 165 HA 0.01 0.06 0.43 -0.75 4.62 4.36 2gh4A1 PHE 165 HB2 0.04 0.16 0.18 -0.04 3.15 3.50 2gh4A1 PHE 165 HB3 -0.03 -0.05 0.01 -0.04 3.06 2.95 2gh4A1 PHE 165 HD2 -0.02 -0.05 0.04 -0.04 7.28 7.21 2gh4A1 PHE 165 HE2 -0.00 0.08 -0.12 -0.04 7.38 7.29 2gh4A1 PHE 165 HZ -0.01 0.11 -0.07 -0.04 7.32 7.31 2gh4A1 ASP 166 H 0.17 0.36 -0.08 -0.55 8.40 8.30 2gh4A1 ASP 166 HA 0.12 0.00 0.38 -0.75 4.63 4.39 2gh4A1 ASP 166 HB2 0.07 0.18 0.12 -0.04 2.71 3.03 2gh4A1 ASP 166 HB3 0.06 -0.02 0.02 -0.04 2.70 2.72 2gh4A1 GLN 167 H 0.04 0.40 -0.26 -0.55 8.47 8.10 2gh4A1 GLN 167 HA -0.00 0.04 0.38 -0.75 4.36 4.03 2gh4A1 GLN 167 HB2 -0.03 0.04 0.08 -0.04 2.15 2.20 2gh4A1 GLN 167 HB3 -0.06 0.14 0.18 -0.04 2.02 2.24 2gh4A1 GLN 167 HG2 0.00 -0.03 -0.27 -0.04 2.40 2.07 2gh4A1 GLN 167 HG3 -0.02 -0.00 -0.01 -0.04 2.39 2.32 2gh4A1 GLN 167 HE21 -2.56 0.00 0.03 -0.04 6.97 4.40 2gh4A1 GLN 167 HE22 -0.51 0.01 -0.02 -0.04 7.69 7.13 2gh4A1 VAL 168 H 0.08 0.56 -0.09 -0.55 8.24 8.24 2gh4A1 VAL 168 HA 0.13 -0.02 0.39 -0.75 4.13 3.87 2gh4A1 VAL 168 HB 0.31 0.11 0.10 -0.04 2.12 2.59 2gh4A1 VAL 168 HG13 0.19 -0.03 -0.08 -0.04 0.97 1.01 2gh4A1 VAL 168 HG23 0.06 0.07 0.08 -0.04 0.95 1.12 2gh4A1 VAL 169 H 0.20 0.56 -0.19 -0.55 8.24 8.26 2gh4A1 VAL 169 HA 0.41 -0.03 0.36 -0.75 4.13 4.12 2gh4A1 VAL 169 HB 0.10 0.13 0.15 -0.04 2.12 2.47 2gh4A1 VAL 169 HG13 0.04 -0.02 -0.12 -0.04 0.97 0.83 2gh4A1 VAL 169 HG23 -0.05 0.05 0.02 -0.04 0.95 0.92 2gh4A1 LEU 170 H 0.10 0.65 -0.19 -0.55 8.37 8.39 2gh4A1 LEU 170 HA 0.08 -0.01 0.40 -0.75 4.35 4.08 2gh4A1 LEU 170 HB2 0.04 0.01 0.09 -0.04 1.64 1.73 2gh4A1 LEU 170 HB3 0.01 0.16 0.17 -0.04 1.64 1.94 2gh4A1 LEU 170 HG 0.02 -0.08 -0.38 -0.04 1.64 1.15 2gh4A1 LEU 170 HD13 0.05 -0.00 0.01 -0.04 0.93 0.94 2gh4A1 LEU 170 HD23 -0.02 0.04 -0.01 -0.04 0.89 0.85 2gh4A1 GLN 171 H 0.08 0.65 -0.01 -0.55 8.47 8.64 2gh4A1 GLN 171 HA 0.09 -0.04 0.35 -0.75 4.36 4.01 2gh4A1 GLN 171 HB2 0.13 0.07 0.14 -0.04 2.15 2.45 2gh4A1 GLN 171 HB3 0.16 -0.10 -0.00 -0.04 2.02 2.04 2gh4A1 GLN 171 HG2 -0.01 0.40 0.07 -0.04 2.40 2.82 2gh4A1 GLN 171 HG3 0.20 -0.04 -0.03 -0.04 2.39 2.48 2gh4A1 GLN 171 HE21 -0.54 0.48 0.14 -0.04 6.97 7.00 2gh4A1 GLN 171 HE22 -0.34 0.07 0.03 -0.04 7.69 7.40 2gh4A1 GLU 172 H 0.19 0.71 -0.15 -0.55 8.60 8.81 2gh4A1 GLU 172 HA 0.15 -0.05 0.39 -0.75 4.29 4.02 2gh4A1 GLU 172 HB2 0.08 0.05 0.09 -0.04 2.09 2.27 2gh4A1 GLU 172 HB3 0.46 0.12 0.09 -0.04 1.99 2.61 2gh4A1 GLU 172 HG2 -0.15 -0.07 0.02 -0.04 2.34 2.09 2gh4A1 GLU 172 HG3 -0.41 0.00 -0.04 -0.04 2.34 1.84 2gh4A1 SER 173 H 0.20 0.60 -0.15 -0.55 8.46 8.57 2gh4A1 SER 173 HA 0.16 -0.01 0.41 -0.75 4.49 4.30 2gh4A1 SER 173 HB2 0.06 -0.05 0.03 -0.04 3.95 3.95 2gh4A1 SER 173 HB3 0.13 0.01 0.10 -0.04 3.93 4.13 2gh4A1 LEU 174 H 0.12 0.65 -0.15 -0.55 8.37 8.45 2gh4A1 LEU 174 HA -0.02 0.03 0.41 -0.75 4.35 4.02 2gh4A1 LEU 174 HB2 0.17 0.12 0.09 -0.04 1.64 1.97 2gh4A1 LEU 174 HB3 0.22 -0.12 -0.04 -0.04 1.64 1.66 2gh4A1 LEU 174 HG 0.09 0.21 -0.00 -0.04 1.64 1.90 2gh4A1 LEU 174 HD13 0.14 0.00 -0.30 -0.04 0.93 0.73 2gh4A1 LEU 174 HD23 0.12 -0.01 -0.04 -0.04 0.89 0.91 2gh4A1 MET 175 H 0.20 0.52 -0.20 -0.55 8.47 8.44 2gh4A1 MET 175 HA 0.21 0.00 0.39 -0.75 4.52 4.36 2gh4A1 MET 175 HB2 0.41 0.00 0.13 -0.04 2.15 2.66 2gh4A1 MET 175 HB3 0.45 0.00 -0.08 -0.04 2.03 2.36 2gh4A1 MET 175 HG2 0.35 0.00 -0.11 -0.04 2.63 2.83 2gh4A1 MET 175 HG3 0.27 0.28 0.04 -0.04 2.56 3.11 2gh4A1 MET 175 HE3 0.49 0.02 -0.10 -0.04 2.10 2.47 2gh4A1 ARG 176 H 0.22 0.61 -0.05 -0.55 8.46 8.68 2gh4A1 ARG 176 HA -0.24 -0.05 0.38 -0.75 4.34 3.68 2gh4A1 ARG 176 HB2 0.38 -0.02 0.08 -0.04 1.90 2.29 2gh4A1 ARG 176 HB3 0.13 0.11 0.13 -0.04 1.80 2.13 2gh4A1 ARG 176 HG2 -0.02 0.04 -0.19 -0.04 1.67 1.45 2gh4A1 ARG 176 HG3 -0.21 -0.06 -0.02 -0.04 1.67 1.35 2gh4A1 ARG 176 HD2 0.16 0.01 -0.05 -0.04 3.22 3.30 2gh4A1 ARG 176 HD3 0.41 -0.03 -0.03 -0.04 3.22 3.52 2gh4A1 LYS 177 H -0.11 0.56 -0.23 -0.55 8.42 8.08 2gh4A1 LYS 177 HA -0.22 0.01 0.37 -0.75 4.32 3.72 2gh4A1 LYS 177 HB2 -0.20 0.00 0.11 -0.04 1.87 1.74 2gh4A1 LYS 177 HB3 -0.44 0.08 0.16 -0.04 1.79 1.55 2gh4A1 LYS 177 HG2 -0.84 0.02 -0.29 -0.04 1.46 0.31 2gh4A1 LYS 177 HG3 -0.29 -0.04 0.02 -0.04 1.46 1.10 2gh4A1 LYS 177 HD2 -0.18 -0.02 -0.03 -0.04 1.69 1.41 2gh4A1 LYS 177 HD3 -0.45 -0.02 -0.02 -0.04 1.68 1.15 2gh4A1 LYS 177 HE2 -0.29 0.01 -0.05 -0.04 2.99 2.62 2gh4A1 LYS 177 HE3 -0.14 -0.01 -0.02 -0.04 2.99 2.78 2gh4A1 HIS 178 H -0.34 0.36 -0.26 -0.55 8.41 7.62 2gh4A1 HIS 178 HA -0.39 0.19 0.81 -0.75 4.63 4.49 2gh4A1 HIS 178 HB2 -0.92 0.02 0.07 -0.04 3.26 2.39 2gh4A1 HIS 178 HB3 -2.00 -0.05 0.04 -0.04 3.20 1.16 2gh4A1 HIS 178 HD2 -0.73 0.10 0.03 -0.04 6.97 6.32 2gh4A1 HIS 178 HE1 -0.08 -0.00 -0.02 -0.04 7.75 7.60 2gh4A1 THR 179 H -0.15 0.47 -0.04 -0.55 8.28 8.02 2gh4A1 THR 179 HA 0.17 0.21 1.04 -0.75 4.39 5.06 2gh4A1 THR 179 HB 0.22 -0.07 0.08 -0.04 4.32 4.51 2gh4A1 THR 179 HG23 0.25 -0.01 -0.24 -0.04 1.22 1.18 2gh4A1 LYS 180 H -0.44 0.45 0.01 -0.55 8.42 7.88 2gh4A1 LYS 180 HA -0.88 -0.00 0.45 -0.75 4.32 3.14 2gh4A1 LYS 180 HB2 -1.48 -0.08 0.09 -0.04 1.87 0.35 2gh4A1 LYS 180 HB3 -0.46 0.15 0.10 -0.04 1.79 1.54 2gh4A1 LYS 180 HG2 -0.23 -0.05 -0.54 -0.04 1.46 0.61 2gh4A1 LYS 180 HG3 -0.37 0.03 -0.19 -0.04 1.46 0.89 2gh4A1 LYS 180 HD2 -0.15 -0.05 -0.08 -0.04 1.69 1.38 2gh4A1 LYS 180 HD3 -0.16 -0.00 -0.12 -0.04 1.68 1.36 2gh4A1 LYS 180 HE2 -0.03 -0.01 -0.14 -0.04 2.99 2.77 2gh4A1 LYS 180 HE3 0.07 0.05 -0.09 -0.04 2.99 2.98 2gh4A1 ASP 181 H -0.17 0.76 0.25 -0.55 8.40 8.70 2gh4A1 ASP 181 HA 0.07 0.12 0.75 -0.75 4.63 4.82 2gh4A1 ASP 181 HB2 -0.00 0.07 0.05 -0.04 2.71 2.78 2gh4A1 ASP 181 HB3 -0.11 0.01 0.18 -0.04 2.70 2.74 2gh4A1 ALA 182 H 0.03 0.21 0.12 -0.55 8.40 8.21 2gh4A1 ALA 182 HA -0.01 0.13 0.31 -0.75 4.34 4.01 2gh4A1 ALA 182 HB3 0.01 0.01 0.08 -0.04 1.41 1.47 2gh4A1 LYS 183 H 0.06 0.01 -0.09 -0.55 8.42 7.84 2gh4A1 LYS 183 HA 0.04 0.10 0.34 -0.75 4.32 4.05 2gh4A1 LYS 183 HB2 0.08 -0.01 0.11 -0.04 1.87 2.01 2gh4A1 LYS 183 HB3 0.10 -0.13 0.10 -0.04 1.79 1.83 2gh4A1 LYS 183 HG2 0.08 0.05 -0.16 -0.04 1.46 1.38 2gh4A1 LYS 183 HG3 0.05 0.03 0.02 -0.04 1.46 1.52 2gh4A1 LYS 183 HD2 0.08 -0.01 0.02 -0.04 1.69 1.73 2gh4A1 LYS 183 HD3 0.10 -0.03 -0.00 -0.04 1.68 1.71 2gh4A1 LYS 183 HE2 0.05 0.02 -0.00 -0.04 2.99 3.02 2gh4A1 LYS 183 HE3 0.06 -0.01 0.00 -0.04 2.99 3.00 2gh4A1 THR 184 H 0.03 -0.03 -0.10 -0.55 8.28 7.63 2gh4A1 THR 184 HA 0.05 0.24 0.66 -0.75 4.39 4.59 2gh4A1 THR 184 HB -0.05 0.05 0.04 -0.04 4.32 4.32 2gh4A1 THR 184 HG23 0.14 -0.00 -0.00 -0.04 1.22 1.31 2gh4A1 GLY 185 H -0.06 0.47 -0.10 -0.55 8.43 8.19 2gh4A1 GLY 185 HA2 -0.01 0.08 0.27 -0.51 4.01 3.85 2gh4A1 GLY 185 HA3 -0.02 0.16 0.67 -0.51 4.01 4.31 2gh4A1 LEU 186 H -0.38 -0.07 -0.31 -0.55 8.37 7.06 2gh4A1 LEU 186 HA -0.25 0.15 0.57 -0.75 4.35 4.07 2gh4A1 LEU 186 HB2 -2.21 -0.07 -0.05 -0.04 1.64 -0.73 2gh4A1 LEU 186 HB3 -0.99 -0.05 -0.00 -0.04 1.64 0.55 2gh4A1 LEU 186 HG -0.42 0.10 -0.22 -0.04 1.64 1.06 2gh4A1 LEU 186 HD13 -0.81 -0.01 -0.08 -0.04 0.93 -0.02 2gh4A1 LEU 186 HD23 -0.27 0.04 -0.22 -0.04 0.89 0.40 2gh4A1 PHE 187 H -0.03 0.11 0.11 -0.55 8.34 7.97 2gh4A1 PHE 187 HA -0.11 0.35 0.83 -0.75 4.62 4.93 2gh4A1 PHE 187 HB2 -0.23 -0.12 0.01 -0.04 3.15 2.78 2gh4A1 PHE 187 HB3 -0.13 0.09 -0.19 -0.04 3.06 2.80 2gh4A1 PHE 187 HD2 -0.42 -0.13 -0.51 -0.04 7.28 6.17 2gh4A1 PHE 187 HE2 -0.23 0.08 -0.08 -0.04 7.38 7.11 2gh4A1 PHE 187 HZ -0.09 0.02 -0.05 -0.04 7.32 7.16 2gh4A1 TYR 188 H 0.18 0.75 0.22 -0.55 8.29 8.89 2gh4A1 TYR 188 HA 0.17 0.03 0.44 -0.75 4.56 4.45 2gh4A1 TYR 188 HB2 0.12 0.06 0.17 -0.04 3.06 3.37 2gh4A1 TYR 188 HB3 0.04 -0.09 0.10 -0.04 2.98 2.99 2gh4A1 TYR 188 HD2 -0.13 0.02 -0.18 -0.04 7.15 6.81 2gh4A1 TYR 188 HE2 -0.30 0.02 -0.10 -0.04 6.85 6.43 2gh4A1 HIS 189 H 0.24 0.32 0.29 -0.55 8.41 8.72 2gh4A1 HIS 189 HA 0.11 -0.01 0.44 -0.75 4.63 4.41 2gh4A1 HIS 189 HB2 0.05 -0.03 0.25 -0.04 3.26 3.49 2gh4A1 HIS 189 HB3 -0.17 -0.02 0.23 -0.04 3.20 3.20 2gh4A1 HIS 189 HD2 0.11 -0.10 0.21 -0.04 6.97 7.14 2gh4A1 HIS 189 HE1 -0.34 0.14 -0.43 -0.04 7.75 7.08 2gh4A1 ALA 190 H -0.15 0.11 0.03 -0.55 8.40 7.84 2gh4A1 ALA 190 HA 0.04 0.30 1.04 -0.75 4.34 4.96 2gh4A1 ALA 190 HB3 -1.22 -0.03 -0.07 -0.04 1.41 0.05 2gh4A1 TRP 191 H 0.46 0.59 0.32 -0.55 7.97 8.80 2gh4A1 TRP 191 HA 0.29 0.26 0.85 -0.75 4.62 5.26 2gh4A1 TRP 191 HB2 0.20 0.07 -0.22 -0.04 3.23 3.24 2gh4A1 TRP 191 HB3 0.21 -0.07 0.09 -0.04 3.23 3.42 2gh4A1 TRP 191 HD1 0.10 -0.05 -0.31 -0.04 7.22 6.92 2gh4A1 TRP 191 HE1 -0.03 0.28 0.05 -0.04 10.20 10.46 2gh4A1 TRP 191 HE3 0.12 -0.09 -0.05 -0.04 7.59 7.54 2gh4A1 TRP 191 HZ2 -0.38 0.09 0.00 -0.04 7.44 7.10 2gh4A1 TRP 191 HZ3 0.03 -0.10 -0.04 -0.04 7.13 6.98 2gh4A1 TRP 191 HH2 -0.24 -0.07 0.01 -0.04 7.19 6.85 2gh4A1 ASP 192 H -0.20 0.82 0.23 -0.55 8.40 8.70 2gh4A1 ASP 192 HA -0.33 0.26 1.09 -0.75 4.63 4.90 2gh4A1 ASP 192 HB2 -0.55 -0.03 -0.03 -0.04 2.71 2.07 2gh4A1 ASP 192 HB3 -0.55 0.10 0.22 -0.04 2.70 2.43 2gh4A1 GLU 193 H -0.96 0.60 0.28 -0.55 8.60 7.97 2gh4A1 GLU 193 HA -1.05 0.14 0.40 -0.75 4.29 3.04 2gh4A1 GLU 193 HB2 -1.02 -0.01 0.17 -0.04 2.09 1.19 2gh4A1 GLU 193 HB3 -0.27 -0.04 0.18 -0.04 1.99 1.82 2gh4A1 GLU 193 HG2 -0.21 0.06 -0.09 -0.04 2.34 2.05 2gh4A1 GLU 193 HG3 -0.05 0.09 0.11 -0.04 2.34 2.44 2gh4A1 ALA 194 H -0.39 0.05 -0.22 -0.55 8.40 7.30 2gh4A1 ALA 194 HA -0.34 0.17 0.52 -0.75 4.34 3.94 2gh4A1 ALA 194 HB3 -0.32 -0.01 0.01 -0.04 1.41 1.04 2gh4A1 LYS 195 H -0.37 0.23 -0.36 -0.55 8.42 7.36 2gh4A1 LYS 195 HA -0.30 -0.03 0.25 -0.75 4.32 3.49 2gh4A1 LYS 195 HB2 -0.15 0.18 -0.14 -0.04 1.87 1.72 2gh4A1 LYS 195 HB3 -0.14 -0.02 0.11 -0.04 1.79 1.70 2gh4A1 LYS 195 HG2 -0.13 -0.06 -0.09 -0.04 1.46 1.14 2gh4A1 LYS 195 HG3 -0.18 0.08 -0.29 -0.04 1.46 1.03 2gh4A1 LYS 195 HD2 -0.06 -0.03 -0.10 -0.04 1.69 1.45 2gh4A1 LYS 195 HD3 -0.05 0.06 -0.07 -0.04 1.68 1.58 2gh4A1 LYS 195 HE2 0.04 -0.11 -0.50 -0.04 2.99 2.38 2gh4A1 LYS 195 HE3 0.03 -0.00 -0.17 -0.04 2.99 2.81 2gh4A1 LYS 196 H -0.31 -0.11 -0.27 -0.55 8.42 7.17 2gh4A1 LYS 196 HA -0.18 0.28 0.75 -0.75 4.32 4.41 2gh4A1 LYS 196 HB2 -0.21 -0.09 -0.04 -0.04 1.87 1.49 2gh4A1 LYS 196 HB3 -0.16 -0.01 -0.05 -0.04 1.79 1.53 2gh4A1 LYS 196 HG2 -0.13 0.07 -0.06 -0.04 1.46 1.29 2gh4A1 LYS 196 HG3 -0.18 0.09 -0.20 -0.04 1.46 1.13 2gh4A1 LYS 196 HD2 -0.12 -0.04 -0.05 -0.04 1.69 1.43 2gh4A1 LYS 196 HD3 -0.10 -0.02 -0.04 -0.04 1.68 1.48 2gh4A1 LYS 196 HE2 -0.08 0.02 -0.02 -0.04 2.99 2.87 2gh4A1 LYS 196 HE3 -0.10 0.02 -0.02 -0.04 2.99 2.84 2gh4A1 MET 197 H -0.53 -0.07 -0.03 -0.55 8.47 7.30 2gh4A1 MET 197 HA -0.37 0.18 0.46 -0.75 4.52 4.04 2gh4A1 MET 197 HB2 -1.78 -0.04 0.00 -0.04 2.15 0.29 2gh4A1 MET 197 HB3 -1.62 -0.08 -0.01 -0.04 2.03 0.29 2gh4A1 MET 197 HG2 -0.44 -0.02 -0.01 -0.04 2.63 2.12 2gh4A1 MET 197 HG3 -0.38 -0.03 -0.04 -0.04 2.56 2.07 2gh4A1 MET 197 HE3 -0.13 -0.00 -0.15 -0.04 2.10 1.78 2gh4A1 PRO 198 HA -0.06 0.20 0.39 -0.51 4.44 4.46 2gh4A1 PRO 198 HB2 0.25 -0.01 -0.01 -0.04 2.28 2.47 2gh4A1 PRO 198 HB3 0.03 0.08 0.11 -0.04 2.02 2.19 2gh4A1 PRO 198 HG2 0.08 -0.06 0.03 -0.04 2.03 2.03 2gh4A1 PRO 198 HG3 0.06 0.06 0.06 -0.04 2.03 2.17 2gh4A1 PRO 198 HD2 -0.25 0.02 0.20 -0.04 3.68 3.61 2gh4A1 PRO 198 HD3 -0.12 0.23 0.19 -0.04 3.65 3.92 2gh4A1 TRP 199 H -0.65 0.01 -0.42 -0.55 7.97 6.37 2gh4A1 TRP 199 HA -0.53 0.17 0.58 -0.75 4.62 4.08 2gh4A1 TRP 199 HB2 -0.53 -0.02 0.05 -0.04 3.23 2.69 2gh4A1 TRP 199 HB3 -0.87 -0.07 -0.11 -0.04 3.23 2.13 2gh4A1 TRP 199 HD1 -0.28 0.05 -0.12 -0.04 7.22 6.82 2gh4A1 TRP 199 HE1 -0.15 0.04 -0.07 -0.04 10.20 9.97 2gh4A1 TRP 199 HE3 -0.20 0.08 -0.81 -0.04 7.59 6.62 2gh4A1 TRP 199 HZ2 -0.00 0.01 -0.12 -0.04 7.44 7.29 2gh4A1 TRP 199 HZ3 -0.09 0.18 -0.34 -0.04 7.13 6.84 2gh4A1 TRP 199 HH2 -0.05 0.02 -0.41 -0.04 7.19 6.71 2gh4A1 ALA 200 H -0.56 0.38 -0.54 -0.55 8.40 7.14 2gh4A1 ALA 200 HA 0.03 0.09 0.12 -0.75 4.34 3.83 2gh4A1 ALA 200 HB3 -0.50 0.02 -0.05 -0.04 1.41 0.85 2gh4A1 ASN 201 H 0.05 0.50 0.06 -0.55 8.53 8.60 2gh4A1 ASN 201 HA 0.00 0.07 0.43 -0.75 4.76 4.51 2gh4A1 ASN 201 HB2 -0.04 0.24 0.16 -0.04 2.88 3.20 2gh4A1 ASN 201 HB3 0.02 -0.31 0.28 -0.04 2.79 2.73 2gh4A1 ASN 201 HD21 -0.00 0.03 0.05 -0.04 7.03 7.07 2gh4A1 ASN 201 HD22 -0.03 0.10 0.06 -0.04 7.74 7.83 2gh4A1 GLU 202 H -0.00 0.14 0.20 -0.55 8.60 8.39 2gh4A1 GLU 202 HA -0.03 0.19 0.31 -0.75 4.29 4.00 2gh4A1 GLU 202 HB2 -0.01 0.00 0.09 -0.04 2.09 2.13 2gh4A1 GLU 202 HB3 -0.01 0.00 0.15 -0.04 1.99 2.08 2gh4A1 GLU 202 HG2 0.01 -0.05 0.11 -0.04 2.34 2.37 2gh4A1 GLU 202 HG3 0.01 -0.03 -0.07 -0.04 2.34 2.20 2gh4A1 GLU 203 H 0.02 -0.13 -0.36 -0.55 8.60 7.58 2gh4A1 GLU 203 HA 0.03 0.27 0.89 -0.75 4.29 4.73 2gh4A1 GLU 203 HB2 0.03 -0.10 0.08 -0.04 2.09 2.07 2gh4A1 GLU 203 HB3 0.04 0.06 -0.00 -0.04 1.99 2.04 2gh4A1 GLU 203 HG2 0.02 0.08 -0.04 -0.04 2.34 2.35 2gh4A1 GLU 203 HG3 0.02 -0.10 -0.11 -0.04 2.34 2.11 2gh4A1 THR 204 H 0.06 -0.12 0.04 -0.55 8.28 7.71 2gh4A1 THR 204 HA 0.16 0.27 0.81 -0.75 4.39 4.88 2gh4A1 THR 204 HB 0.14 0.16 0.12 -0.04 4.32 4.70 2gh4A1 THR 204 HG23 0.07 -0.00 -0.00 -0.04 1.22 1.24 2gh4A1 GLY 205 H 0.08 0.27 0.09 -0.55 8.43 8.32 2gh4A1 GLY 205 HA2 -0.03 0.12 0.25 -0.51 4.01 3.84 2gh4A1 GLY 205 HA3 0.06 0.19 0.54 -0.51 4.01 4.29 2gh4A1 CYS 206 H 0.16 -0.02 -0.16 -0.55 8.50 7.93 2gh4A1 CYS 206 HA 0.40 0.21 0.85 -0.75 4.58 5.29 2gh4A1 CYS 206 HB2 -0.17 -0.12 0.09 -0.04 2.97 2.73 2gh4A1 CYS 206 HB3 -0.11 0.05 0.15 -0.04 2.97 3.02 2gh4A1 SER 207 H 0.08 0.45 0.33 -0.55 8.46 8.77 2gh4A1 SER 207 HA 0.20 0.32 0.51 -0.75 4.49 4.77 2gh4A1 SER 207 HB2 -0.35 0.03 0.22 -0.04 3.95 3.81 2gh4A1 SER 207 HB3 -1.01 -0.04 0.11 -0.04 3.93 2.94 2gh4A1 PRO 208 HA -0.21 0.20 0.64 -0.51 4.44 4.56 2gh4A1 PRO 208 HB2 0.08 -0.05 0.08 -0.04 2.28 2.35 2gh4A1 PRO 208 HB3 0.04 0.10 0.14 -0.04 2.02 2.25 2gh4A1 PRO 208 HG2 0.07 -0.09 0.22 -0.04 2.03 2.18 2gh4A1 PRO 208 HG3 -0.04 -0.04 0.16 -0.04 2.03 2.07 2gh4A1 PRO 208 HD2 -0.20 0.15 0.36 -0.04 3.68 3.95 2gh4A1 PRO 208 HD3 -0.14 0.33 0.30 -0.04 3.65 4.10 2gh4A1 GLU 209 H 0.05 0.10 -0.00 -0.55 8.60 8.20 2gh4A1 GLU 209 HA -0.14 0.35 1.15 -0.75 4.29 4.91 2gh4A1 GLU 209 HB2 -0.07 -0.03 -0.09 -0.04 2.09 1.85 2gh4A1 GLU 209 HB3 -0.01 -0.01 -0.04 -0.04 1.99 1.89 2gh4A1 GLU 209 HG2 0.25 -0.04 -0.14 -0.04 2.34 2.36 2gh4A1 GLU 209 HG3 0.36 -0.04 -0.11 -0.04 2.34 2.50 2gh4A1 PHE 210 H -0.11 0.18 0.07 -0.55 8.34 7.94 2gh4A1 PHE 210 HA -0.06 0.23 0.74 -0.75 4.62 4.79 2gh4A1 PHE 210 HB2 -0.13 -0.15 0.20 -0.04 3.15 3.02 2gh4A1 PHE 210 HB3 -0.16 0.06 0.02 -0.04 3.06 2.94 2gh4A1 PHE 210 HD2 -0.20 0.09 -0.25 -0.04 7.28 6.88 2gh4A1 PHE 210 HE2 -0.64 0.08 -0.23 -0.04 7.38 6.55 2gh4A1 PHE 210 HZ -0.44 -0.00 -0.07 -0.04 7.32 6.77 2gh4A1 TRP 211 H 0.04 0.22 0.08 -0.55 7.97 7.76 2gh4A1 TRP 211 HA -0.39 0.33 0.89 -0.75 4.62 4.70 2gh4A1 TRP 211 HB2 -1.23 0.03 0.02 -0.04 3.23 2.00 2gh4A1 TRP 211 HB3 -0.61 -0.06 0.18 -0.04 3.23 2.71 2gh4A1 TRP 211 HD1 -0.39 0.26 0.10 -0.04 7.22 7.15 2gh4A1 TRP 211 HE1 -0.18 0.06 0.01 -0.04 10.20 10.04 2gh4A1 TRP 211 HE3 -1.23 -0.02 0.02 -0.04 7.59 6.32 2gh4A1 TRP 211 HZ2 -0.06 0.11 -0.05 -0.04 7.44 7.40 2gh4A1 TRP 211 HZ3 -0.06 0.02 -0.03 -0.04 7.13 7.01 2gh4A1 TRP 211 HH2 0.15 0.02 -0.01 -0.04 7.19 7.30 2gh4A1 ALA 212 H -0.27 0.68 0.30 -0.55 8.40 8.57 2gh4A1 ALA 212 HA -0.21 0.06 0.28 -0.75 4.34 3.72 2gh4A1 ALA 212 HB3 -0.34 0.06 0.04 -0.04 1.41 1.13 2gh4A1 ARG 213 H -1.34 0.16 -0.03 -0.55 8.46 6.70 2gh4A1 ARG 213 HA -0.95 0.07 0.35 -0.75 4.34 3.06 2gh4A1 ARG 213 HB2 -0.82 -0.06 0.04 -0.04 1.90 1.02 2gh4A1 ARG 213 HB3 -1.72 0.04 0.02 -0.04 1.80 0.10 2gh4A1 ARG 213 HG2 -1.08 0.01 -0.23 -0.04 1.67 0.33 2gh4A1 ARG 213 HG3 -1.38 0.02 -0.04 -0.04 1.67 0.22 2gh4A1 ARG 213 HD2 -0.49 0.05 -0.10 -0.04 3.22 2.64 2gh4A1 ARG 213 HD3 -0.41 -0.09 -0.11 -0.04 3.22 2.57 2gh4A1 SER 214 H -1.47 0.19 -0.22 -0.55 8.46 6.42 2gh4A1 SER 214 HA 0.10 -0.01 0.39 -0.75 4.49 4.21 2gh4A1 SER 214 HB2 0.19 -0.05 0.11 -0.04 3.95 4.16 2gh4A1 SER 214 HB3 -0.16 -0.03 0.13 -0.04 3.93 3.84 2gh4A1 ILE 215 H -0.27 0.39 -0.13 -0.55 8.25 7.69 2gh4A1 ILE 215 HA -0.09 0.05 0.41 -0.75 4.18 3.80 2gh4A1 ILE 215 HB -0.09 0.11 0.06 -0.04 1.89 1.94 2gh4A1 ILE 215 HG12 -0.11 0.01 0.05 -0.04 1.49 1.39 2gh4A1 ILE 215 HG13 -0.07 -0.04 0.01 -0.04 1.21 1.06 2gh4A1 ILE 215 HG23 -0.27 0.00 -0.07 -0.04 0.93 0.55 2gh4A1 ILE 215 HD13 -0.11 0.01 -0.08 -0.04 0.88 0.66 2gh4A1 GLY 216 H -0.38 0.48 -0.17 -0.55 8.43 7.81 2gh4A1 GLY 216 HA2 -0.12 0.03 0.30 -0.51 4.01 3.71 2gh4A1 GLY 216 HA3 -0.62 0.00 0.28 -0.51 4.01 3.16 2gh4A1 TRP 217 H -0.20 0.58 -0.15 -0.55 7.97 7.66 2gh4A1 TRP 217 HA -0.27 0.03 0.39 -0.75 4.62 4.02 2gh4A1 TRP 217 HB2 -0.01 0.16 0.10 -0.04 3.23 3.43 2gh4A1 TRP 217 HB3 0.04 -0.06 0.03 -0.04 3.23 3.20 2gh4A1 TRP 217 HD1 -0.02 -0.11 -0.03 -0.04 7.22 7.02 2gh4A1 TRP 217 HE1 0.14 -0.05 -0.07 -0.04 10.20 10.18 2gh4A1 TRP 217 HE3 -0.68 0.03 0.01 -0.04 7.59 6.92 2gh4A1 TRP 217 HZ2 0.35 -0.06 -0.05 -0.04 7.44 7.65 2gh4A1 TRP 217 HZ3 -0.51 0.06 -0.05 -0.04 7.13 6.58 2gh4A1 TRP 217 HH2 0.06 0.01 -0.02 -0.04 7.19 7.20 2gh4A1 TYR 218 H 0.23 0.35 -0.31 -0.55 8.29 8.01 2gh4A1 TYR 218 HA 0.03 -0.01 0.39 -0.75 4.56 4.22 2gh4A1 TYR 218 HB2 -0.01 0.02 0.13 -0.04 3.06 3.16 2gh4A1 TYR 218 HB3 -0.18 0.12 0.12 -0.04 2.98 3.00 2gh4A1 TYR 218 HD2 -0.07 -0.01 -0.12 -0.04 7.15 6.91 2gh4A1 TYR 218 HE2 0.07 0.00 -0.06 -0.04 6.85 6.82 2gh4A1 VAL 219 H 0.03 0.56 -0.03 -0.55 8.24 8.24 2gh4A1 VAL 219 HA -0.03 0.04 0.42 -0.75 4.13 3.80 2gh4A1 VAL 219 HB -0.09 -0.00 -0.01 -0.04 2.12 1.98 2gh4A1 VAL 219 HG13 -0.18 0.03 -0.04 -0.04 0.97 0.74 2gh4A1 VAL 219 HG23 -0.02 0.03 -0.01 -0.04 0.95 0.90 2gh4A1 MET 220 H -0.02 0.54 -0.19 -0.55 8.47 8.25 2gh4A1 MET 220 HA 0.15 0.03 0.37 -0.75 4.52 4.32 2gh4A1 MET 220 HB2 -0.09 0.00 0.10 -0.04 2.15 2.12 2gh4A1 MET 220 HB3 -0.10 0.00 0.10 -0.04 2.03 1.98 2gh4A1 MET 220 HG2 -0.08 0.00 -0.24 -0.04 2.63 2.28 2gh4A1 MET 220 HG3 -0.27 0.00 -0.03 -0.04 2.56 2.21 2gh4A1 MET 220 HE3 -0.97 0.00 -0.06 -0.04 2.10 1.04 2gh4A1 SER 221 H -0.00 0.39 -0.39 -0.55 8.46 7.92 2gh4A1 SER 221 HA 0.07 0.01 0.36 -0.75 4.49 4.17 2gh4A1 SER 221 HB2 -0.25 0.21 0.16 -0.04 3.95 4.02 2gh4A1 SER 221 HB3 -0.21 -0.06 -0.08 -0.04 3.93 3.54 2gh4A1 LEU 222 H -0.21 0.49 -0.03 -0.55 8.37 8.07 2gh4A1 LEU 222 HA -0.51 -0.03 0.37 -0.75 4.35 3.43 2gh4A1 LEU 222 HB2 -0.12 0.09 0.13 -0.04 1.64 1.69 2gh4A1 LEU 222 HB3 -0.17 0.02 -0.00 -0.04 1.64 1.45 2gh4A1 LEU 222 HG -0.30 0.19 0.06 -0.04 1.64 1.55 2gh4A1 LEU 222 HD13 0.03 -0.01 -0.09 -0.04 0.93 0.82 2gh4A1 LEU 222 HD23 -0.71 -0.03 -0.02 -0.04 0.89 0.09 2gh4A1 ALA 223 H -0.02 0.56 -0.21 -0.55 8.40 8.18 2gh4A1 ALA 223 HA 0.10 0.01 0.30 -0.75 4.34 3.99 2gh4A1 ALA 223 HB3 0.08 0.01 0.07 -0.04 1.41 1.53 2gh4A1 ASP 224 H 0.07 0.37 -0.36 -0.55 8.40 7.94 2gh4A1 ASP 224 HA 0.15 0.16 0.79 -0.75 4.63 4.98 2gh4A1 ASP 224 HB2 0.12 0.06 0.11 -0.04 2.71 2.95 2gh4A1 ASP 224 HB3 0.12 -0.06 -0.03 -0.04 2.70 2.68 2gh4A1 MET 225 H -0.03 0.60 0.03 -0.55 8.47 8.53 2gh4A1 MET 225 HA 0.09 0.09 0.55 -0.75 4.52 4.50 2gh4A1 MET 225 HB2 -0.35 0.04 0.02 -0.04 2.15 1.81 2gh4A1 MET 225 HB3 0.10 -0.08 -0.03 -0.04 2.03 1.98 2gh4A1 MET 225 HG2 -0.02 -0.07 -0.07 -0.04 2.63 2.43 2gh4A1 MET 225 HG3 -0.13 0.31 0.06 -0.04 2.56 2.76 2gh4A1 MET 225 HE3 -0.95 0.01 -0.24 -0.04 2.10 0.88 2gh4A1 ILE 226 H 0.10 0.44 -0.16 -0.55 8.25 8.08 2gh4A1 ILE 226 HA 0.30 -0.03 0.33 -0.75 4.18 4.02 2gh4A1 ILE 226 HB -0.08 0.08 0.03 -0.04 1.89 1.88 2gh4A1 ILE 226 HG12 0.13 -0.08 0.02 -0.04 1.49 1.52 2gh4A1 ILE 226 HG13 0.07 0.16 0.06 -0.04 1.21 1.46 2gh4A1 ILE 226 HG23 -0.12 -0.00 -0.12 -0.04 0.93 0.64 2gh4A1 ILE 226 HD13 -0.63 -0.00 -0.17 -0.04 0.88 0.03 2gh4A1 GLU 227 H 0.17 0.21 -0.28 -0.55 8.60 8.15 2gh4A1 GLU 227 HA 0.12 0.08 0.38 -0.75 4.29 4.11 2gh4A1 GLU 227 HB2 0.09 -0.00 0.06 -0.04 2.09 2.20 2gh4A1 GLU 227 HB3 0.16 -0.00 0.06 -0.04 1.99 2.17 2gh4A1 GLU 227 HG2 0.14 0.03 -0.06 -0.04 2.34 2.40 2gh4A1 GLU 227 HG3 0.09 0.01 -0.20 -0.04 2.34 2.20 2gh4A1 GLU 228 H 0.13 0.30 -0.59 -0.55 8.60 7.89 2gh4A1 GLU 228 HA 0.09 0.11 0.59 -0.75 4.29 4.32 2gh4A1 GLU 228 HB2 0.17 0.10 0.04 -0.04 2.09 2.36 2gh4A1 GLU 228 HB3 0.14 -0.07 -0.05 -0.04 1.99 1.97 2gh4A1 GLU 228 HG2 0.08 0.14 -0.01 -0.04 2.34 2.51 2gh4A1 GLU 228 HG3 0.04 -0.11 -0.06 -0.04 2.34 2.17 2gh4A1 LEU 229 H 0.07 0.29 -0.17 -0.55 8.37 8.02 2gh4A1 LEU 229 HA -0.35 -0.02 0.43 -0.75 4.35 3.66 2gh4A1 LEU 229 HB2 -0.12 0.18 0.07 -0.04 1.64 1.73 2gh4A1 LEU 229 HB3 -0.42 -0.04 0.04 -0.04 1.64 1.18 2gh4A1 LEU 229 HG 0.08 0.14 -0.02 -0.04 1.64 1.80 2gh4A1 LEU 229 HD13 -0.52 -0.05 -0.19 -0.04 0.93 0.13 2gh4A1 LEU 229 HD23 -0.77 -0.03 -0.03 -0.04 0.89 0.02 2gh4A1 PRO 230 HA -0.10 0.11 0.50 -0.51 4.44 4.44 2gh4A1 PRO 230 HB2 -0.11 0.09 0.05 -0.04 2.28 2.26 2gh4A1 PRO 230 HB3 -0.21 0.03 0.11 -0.04 2.02 1.92 2gh4A1 PRO 230 HG2 -0.09 -0.04 0.04 -0.04 2.03 1.91 2gh4A1 PRO 230 HG3 -0.33 0.00 0.07 -0.04 2.03 1.73 2gh4A1 PRO 230 HD2 -0.90 -0.03 0.22 -0.04 3.68 2.93 2gh4A1 PRO 230 HD3 -1.84 0.15 0.17 -0.04 3.65 2.10 2gh4A1 LYS 231 H -0.03 0.10 0.15 -0.55 8.42 8.08 2gh4A1 LYS 231 HA -0.01 0.08 0.39 -0.75 4.32 4.03 2gh4A1 LYS 231 HB2 -0.02 -0.02 0.05 -0.04 1.87 1.85 2gh4A1 LYS 231 HB3 -0.01 -0.00 0.08 -0.04 1.79 1.82 2gh4A1 LYS 231 HG2 0.00 0.09 0.08 -0.04 1.46 1.59 2gh4A1 LYS 231 HG3 -0.01 -0.02 0.13 -0.04 1.46 1.52 2gh4A1 LYS 231 HD2 -0.00 -0.03 0.02 -0.04 1.69 1.64 2gh4A1 LYS 231 HD3 0.00 0.01 0.03 -0.04 1.68 1.69 2gh4A1 LYS 231 HE2 0.01 -0.00 0.02 -0.04 2.99 2.97 2gh4A1 LYS 231 HE3 0.01 0.05 0.03 -0.04 2.99 3.04 2gh4A1 LYS 232 H -0.01 0.15 0.15 -0.55 8.42 8.15 2gh4A1 LYS 232 HA -0.03 -0.00 0.31 -0.75 4.32 3.85 2gh4A1 LYS 232 HB2 -0.05 0.27 0.13 -0.04 1.87 2.18 2gh4A1 LYS 232 HB3 -0.05 -0.05 0.12 -0.04 1.79 1.77 2gh4A1 LYS 232 HG2 -0.02 -0.01 -0.05 -0.04 1.46 1.34 2gh4A1 LYS 232 HG3 -0.02 -0.09 -0.48 -0.04 1.46 0.83 2gh4A1 LYS 232 HD2 -0.03 0.04 -0.09 -0.04 1.69 1.57 2gh4A1 LYS 232 HD3 -0.03 -0.02 -0.03 -0.04 1.68 1.55 2gh4A1 LYS 232 HE2 -0.01 -0.00 -0.06 -0.04 2.99 2.87 2gh4A1 LYS 232 HE3 -0.02 -0.01 -0.03 -0.04 2.99 2.89 2gh4A1 HIS 233 H 0.01 0.44 -0.54 -0.55 8.41 7.77 2gh4A1 HIS 233 HA -0.15 0.10 0.36 -0.75 4.63 4.19 2gh4A1 HIS 233 HB2 -0.24 0.30 0.07 -0.04 3.26 3.35 2gh4A1 HIS 233 HB3 -0.22 -0.10 0.05 -0.04 3.20 2.88 2gh4A1 HIS 233 HD2 -0.35 0.05 0.04 -0.04 6.97 6.66 2gh4A1 HIS 233 HE1 -0.26 0.01 -0.02 -0.04 7.75 7.43 2gh4A1 PRO 234 HA -0.11 0.11 0.44 -0.51 4.44 4.37 2gh4A1 PRO 234 HB2 -0.22 -0.02 0.06 -0.04 2.28 2.06 2gh4A1 PRO 234 HB3 -0.14 0.04 0.11 -0.04 2.02 1.99 2gh4A1 PRO 234 HG2 -0.30 0.04 0.10 -0.04 2.03 1.82 2gh4A1 PRO 234 HG3 -0.21 0.10 0.13 -0.04 2.03 2.01 2gh4A1 PRO 234 HD2 -1.34 0.05 0.21 -0.04 3.68 2.56 2gh4A1 PRO 234 HD3 -0.45 0.23 0.24 -0.04 3.65 3.63 2gh4A1 ASN 235 H 0.34 0.16 -0.33 -0.55 8.53 8.16 2gh4A1 ASN 235 HA -0.30 0.05 0.69 -0.75 4.76 4.45 2gh4A1 ASN 235 HB2 -0.69 0.06 0.02 -0.04 2.88 2.22 2gh4A1 ASN 235 HB3 -1.92 0.01 0.04 -0.04 2.79 0.88 2gh4A1 ASN 235 HD21 -0.19 0.07 -0.02 -0.04 7.03 6.85 2gh4A1 ASN 235 HD22 -1.67 -0.03 -0.01 -0.04 7.74 5.99 2gh4A1 ARG 236 H -0.06 0.60 -0.30 -0.55 8.46 8.15 2gh4A1 ARG 236 HA -0.05 0.09 0.46 -0.75 4.34 4.08 2gh4A1 ARG 236 HB2 -0.00 0.18 0.07 -0.04 1.90 2.11 2gh4A1 ARG 236 HB3 0.02 0.01 -0.05 -0.04 1.80 1.74 2gh4A1 ARG 236 HG2 0.00 0.10 0.02 -0.04 1.67 1.76 2gh4A1 ARG 236 HG3 -0.06 -0.07 -0.01 -0.04 1.67 1.50 2gh4A1 ARG 236 HD2 -0.00 -0.17 0.02 -0.04 3.22 3.03 2gh4A1 ARG 236 HD3 0.02 -0.04 -0.02 -0.04 3.22 3.15 2gh4A1 HIS 237 H 0.05 0.25 -0.25 -0.55 8.41 7.92 2gh4A1 HIS 237 HA -0.01 0.16 0.62 -0.75 4.63 4.64 2gh4A1 HIS 237 HB2 -0.02 0.02 0.02 -0.04 3.26 3.25 2gh4A1 HIS 237 HB3 -0.04 0.10 0.09 -0.04 3.20 3.31 2gh4A1 HIS 237 HD2 0.01 0.03 0.00 -0.04 6.97 6.97 2gh4A1 HIS 237 HE1 0.01 -0.00 -0.05 -0.04 7.75 7.67 2gh4A1 VAL 238 H -0.02 0.24 -0.01 -0.55 8.24 7.90 2gh4A1 VAL 238 HA 0.03 0.08 0.42 -0.75 4.13 3.91 2gh4A1 VAL 238 HB -0.22 -0.06 0.15 -0.04 2.12 1.95 2gh4A1 VAL 238 HG13 0.10 0.00 -0.11 -0.04 0.97 0.92 2gh4A1 VAL 238 HG23 -0.00 0.09 0.03 -0.04 0.95 1.03 2gh4A1 TRP 239 H -0.03 0.69 -0.09 -0.55 7.97 8.00 2gh4A1 TRP 239 HA -0.02 0.01 0.45 -0.75 4.62 4.30 2gh4A1 TRP 239 HB2 -0.10 0.21 0.10 -0.04 3.23 3.41 2gh4A1 TRP 239 HB3 -0.10 -0.03 -0.01 -0.04 3.23 3.05 2gh4A1 TRP 239 HD1 0.03 -0.02 -0.16 -0.04 7.22 7.03 2gh4A1 TRP 239 HE1 0.04 -0.00 -0.06 -0.04 10.20 10.14 2gh4A1 TRP 239 HE3 -0.07 0.04 -0.20 -0.04 7.59 7.33 2gh4A1 TRP 239 HZ2 0.02 0.02 -0.25 -0.04 7.44 7.19 2gh4A1 TRP 239 HZ3 -0.04 0.12 -0.23 -0.04 7.13 6.94 2gh4A1 TRP 239 HH2 -0.00 -0.01 -0.14 -0.04 7.19 7.00 2gh4A1 LYS 240 H -0.02 0.35 -0.32 -0.55 8.42 7.88 2gh4A1 LYS 240 HA -0.17 0.03 0.40 -0.75 4.32 3.83 2gh4A1 LYS 240 HB2 -0.14 0.00 0.19 -0.04 1.87 1.88 2gh4A1 LYS 240 HB3 -0.06 0.00 0.04 -0.04 1.79 1.72 2gh4A1 LYS 240 HG2 -0.49 -0.07 0.05 -0.04 1.46 0.91 2gh4A1 LYS 240 HG3 -0.20 0.25 0.20 -0.04 1.46 1.67 2gh4A1 LYS 240 HD2 0.01 -0.07 -0.01 -0.04 1.69 1.58 2gh4A1 LYS 240 HD3 0.10 0.01 0.00 -0.04 1.68 1.74 2gh4A1 LYS 240 HE2 0.22 0.01 -0.05 -0.04 2.99 3.13 2gh4A1 LYS 240 HE3 0.02 -0.01 -0.03 -0.04 2.99 2.92 2gh4A1 ASN 241 H -0.16 0.53 -0.23 -0.55 8.53 8.13 2gh4A1 ASN 241 HA -0.07 0.04 0.44 -0.75 4.76 4.42 2gh4A1 ASN 241 HB2 -0.36 0.23 0.17 -0.04 2.88 2.88 2gh4A1 ASN 241 HB3 -0.06 0.03 0.03 -0.04 2.79 2.74 2gh4A1 ASN 241 HD21 0.01 -0.02 -0.01 -0.04 7.03 6.98 2gh4A1 ASN 241 HD22 0.01 0.01 -0.09 -0.04 7.74 7.63 2gh4A1 THR 242 H 0.06 0.50 -0.17 -0.55 8.28 8.11 2gh4A1 THR 242 HA 0.08 0.02 0.43 -0.75 4.39 4.17 2gh4A1 THR 242 HB 0.17 0.06 0.14 -0.04 4.32 4.65 2gh4A1 THR 242 HG23 0.22 -0.03 -0.09 -0.04 1.22 1.28 2gh4A1 LEU 243 H 0.01 0.67 -0.20 -0.55 8.37 8.30 2gh4A1 LEU 243 HA -0.07 -0.06 0.40 -0.75 4.35 3.87 2gh4A1 LEU 243 HB2 -0.05 -0.01 0.06 -0.04 1.64 1.60 2gh4A1 LEU 243 HB3 -0.04 0.21 0.14 -0.04 1.64 1.91 2gh4A1 LEU 243 HG -0.06 -0.02 -0.25 -0.04 1.64 1.27 2gh4A1 LEU 243 HD13 -0.08 -0.03 0.02 -0.04 0.93 0.79 2gh4A1 LEU 243 HD23 0.02 0.01 -0.10 -0.04 0.89 0.78 2gh4A1 GLN 244 H -0.02 0.60 -0.11 -0.55 8.47 8.39 2gh4A1 GLN 244 HA -0.04 -0.03 0.41 -0.75 4.36 3.95 2gh4A1 GLN 244 HB2 0.01 0.08 0.16 -0.04 2.15 2.35 2gh4A1 GLN 244 HB3 0.04 -0.09 0.08 -0.04 2.02 2.00 2gh4A1 GLN 244 HG2 0.04 0.08 0.14 -0.04 2.40 2.61 2gh4A1 GLN 244 HG3 -0.00 0.56 0.22 -0.04 2.39 3.12 2gh4A1 GLN 244 HE21 0.04 -0.10 -0.01 -0.04 6.97 6.86 2gh4A1 GLN 244 HE22 0.07 0.52 0.12 -0.04 7.69 8.36 2gh4A1 ASP 245 H -0.00 0.55 -0.18 -0.55 8.40 8.22 2gh4A1 ASP 245 HA 0.01 0.01 0.46 -0.75 4.63 4.35 2gh4A1 ASP 245 HB2 0.03 0.11 0.16 -0.04 2.71 2.98 2gh4A1 ASP 245 HB3 0.03 -0.03 0.03 -0.04 2.70 2.69 2gh4A1 MET 246 H -0.06 0.56 -0.11 -0.55 8.47 8.32 2gh4A1 MET 246 HA -0.13 0.12 0.48 -0.75 4.52 4.23 2gh4A1 MET 246 HB2 -0.18 0.07 0.16 -0.04 2.15 2.16 2gh4A1 MET 246 HB3 -0.32 -0.13 -0.01 -0.04 2.03 1.53 2gh4A1 MET 246 HG2 -0.38 0.05 0.04 -0.04 2.63 2.30 2gh4A1 MET 246 HG3 -0.11 0.27 0.08 -0.04 2.56 2.75 2gh4A1 MET 246 HE3 -1.34 -0.02 -0.02 -0.04 2.10 0.68 2gh4A1 ILE 247 H -0.14 0.79 -0.07 -0.55 8.25 8.28 2gh4A1 ILE 247 HA -0.27 -0.06 0.38 -0.75 4.18 3.48 2gh4A1 ILE 247 HB -0.25 0.14 0.14 -0.04 1.89 1.87 2gh4A1 ILE 247 HG12 -0.19 0.21 0.05 -0.04 1.49 1.52 2gh4A1 ILE 247 HG13 -0.25 -0.01 -0.10 -0.04 1.21 0.80 2gh4A1 ILE 247 HG23 -0.62 -0.02 -0.13 -0.04 0.93 0.12 2gh4A1 ILE 247 HD13 -0.26 -0.04 -0.09 -0.04 0.88 0.45 2gh4A1 LYS 248 H -0.03 0.62 -0.18 -0.55 8.42 8.28 2gh4A1 LYS 248 HA 0.15 -0.04 0.35 -0.75 4.32 4.03 2gh4A1 LYS 248 HB2 0.09 0.03 0.14 -0.04 1.87 2.09 2gh4A1 LYS 248 HB3 0.02 0.16 0.19 -0.04 1.79 2.12 2gh4A1 LYS 248 HG2 0.02 0.02 -0.23 -0.04 1.46 1.23 2gh4A1 LYS 248 HG3 0.05 -0.07 0.01 -0.04 1.46 1.42 2gh4A1 LYS 248 HD2 0.03 -0.02 -0.01 -0.04 1.69 1.66 2gh4A1 LYS 248 HD3 0.02 0.04 -0.01 -0.04 1.68 1.69 2gh4A1 LYS 248 HE2 0.01 -0.04 -0.02 -0.04 2.99 2.90 2gh4A1 LYS 248 HE3 0.01 -0.02 -0.02 -0.04 2.99 2.92 2gh4A1 SER 249 H -0.04 0.58 -0.16 -0.55 8.46 8.30 2gh4A1 SER 249 HA 0.00 0.04 0.40 -0.75 4.49 4.18 2gh4A1 SER 249 HB2 -0.09 0.04 0.09 -0.04 3.95 3.94 2gh4A1 SER 249 HB3 -0.02 -0.05 -0.05 -0.04 3.93 3.76 2gh4A1 ILE 250 H -0.14 0.73 -0.13 -0.55 8.25 8.16 2gh4A1 ILE 250 HA -0.06 -0.07 0.34 -0.75 4.18 3.64 2gh4A1 ILE 250 HB -0.41 0.12 0.13 -0.04 1.89 1.68 2gh4A1 ILE 250 HG12 -0.61 -0.16 -0.03 -0.04 1.49 0.64 2gh4A1 ILE 250 HG13 -0.36 0.30 0.06 -0.04 1.21 1.16 2gh4A1 ILE 250 HG23 -1.29 -0.04 -0.21 -0.04 0.93 -0.66 2gh4A1 ILE 250 HD13 -0.69 -0.04 -0.16 -0.04 0.88 -0.05 2gh4A1 CYS 251 H 0.04 0.75 -0.08 -0.55 8.50 8.66 2gh4A1 CYS 251 HA 0.49 -0.03 0.42 -0.75 4.58 4.71 2gh4A1 CYS 251 HB2 0.19 0.15 0.08 -0.04 2.97 3.36 2gh4A1 CYS 251 HB3 0.21 -0.06 0.05 -0.04 2.97 3.13 2gh4A1 ARG 252 H 0.02 0.43 -0.45 -0.55 8.46 7.91 2gh4A1 ARG 252 HA -0.10 0.01 0.43 -0.75 4.34 3.92 2gh4A1 ARG 252 HB2 -0.14 0.00 0.13 -0.04 1.90 1.85 2gh4A1 ARG 252 HB3 -0.40 0.00 0.13 -0.04 1.80 1.48 2gh4A1 ARG 252 HG2 -0.59 0.00 -0.01 -0.04 1.67 1.03 2gh4A1 ARG 252 HG3 -0.22 -0.05 0.10 -0.04 1.67 1.46 2gh4A1 ARG 252 HD2 -0.15 0.00 0.04 -0.04 3.22 3.07 2gh4A1 ARG 252 HD3 -0.39 0.01 0.03 -0.04 3.22 2.83 2gh4A1 TYR 253 H 0.23 0.41 -0.45 -0.55 8.29 7.93 2gh4A1 TYR 253 HA 0.06 0.17 0.88 -0.75 4.56 4.92 2gh4A1 TYR 253 HB2 0.22 0.05 0.05 -0.04 3.06 3.34 2gh4A1 TYR 253 HB3 0.17 0.03 0.17 -0.04 2.98 3.30 2gh4A1 TYR 253 HD2 0.03 0.07 0.03 -0.04 7.15 7.23 2gh4A1 TYR 253 HE2 -0.03 0.04 0.00 -0.04 6.85 6.82 2gh4A1 GLN 254 H 0.08 0.34 -0.26 -0.55 8.47 8.09 2gh4A1 GLN 254 HA -1.42 -0.01 0.31 -0.75 4.36 2.48 2gh4A1 GLN 254 HB2 -0.36 -0.05 0.04 -0.04 2.15 1.73 2gh4A1 GLN 254 HB3 -0.21 0.10 0.03 -0.04 2.02 1.90 2gh4A1 GLN 254 HG2 -0.49 -0.00 -0.44 -0.04 2.40 1.43 2gh4A1 GLN 254 HG3 -1.38 0.05 -0.28 -0.04 2.39 0.75 2gh4A1 GLN 254 HE21 -0.07 0.18 0.13 -0.04 6.97 7.17 2gh4A1 GLN 254 HE22 -0.54 0.53 0.13 -0.04 7.69 7.77 2gh4A1 ASP 255 H -0.66 0.80 0.20 -0.55 8.40 8.19 2gh4A1 ASP 255 HA -0.07 0.07 0.49 -0.75 4.63 4.37 2gh4A1 ASP 255 HB2 -0.44 0.15 0.08 -0.04 2.71 2.46 2gh4A1 ASP 255 HB3 -0.32 -0.34 0.21 -0.04 2.70 2.21 2gh4A1 LYS 256 H -0.05 0.21 0.20 -0.55 8.42 8.22 2gh4A1 LYS 256 HA -0.09 0.12 0.28 -0.75 4.32 3.89 2gh4A1 LYS 256 HB2 -0.04 0.08 0.14 -0.04 1.87 2.01 2gh4A1 LYS 256 HB3 -0.02 -0.07 0.09 -0.04 1.79 1.74 2gh4A1 LYS 256 HG2 -0.03 0.01 -0.12 -0.04 1.46 1.28 2gh4A1 LYS 256 HG3 -0.04 0.03 0.04 -0.04 1.46 1.45 2gh4A1 LYS 256 HD2 -0.02 0.03 0.01 -0.04 1.69 1.67 2gh4A1 LYS 256 HD3 -0.02 -0.03 -0.01 -0.04 1.68 1.58 2gh4A1 LYS 256 HE2 -0.02 0.01 -0.01 -0.04 2.99 2.93 2gh4A1 LYS 256 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.92 2gh4A1 GLU 257 H -0.05 -0.02 -0.21 -0.55 8.60 7.77 2gh4A1 GLU 257 HA -0.02 0.19 0.54 -0.75 4.29 4.24 2gh4A1 GLU 257 HB2 -0.01 -0.01 0.04 -0.04 2.09 2.07 2gh4A1 GLU 257 HB3 -0.05 -0.07 0.04 -0.04 1.99 1.87 2gh4A1 GLU 257 HG2 -0.01 0.05 -0.20 -0.04 2.34 2.14 2gh4A1 GLU 257 HG3 0.00 0.02 0.02 -0.04 2.34 2.34 2gh4A1 THR 258 H -0.13 -0.07 -0.09 -0.55 8.28 7.44 2gh4A1 THR 258 HA 0.02 0.30 0.90 -0.75 4.39 4.85 2gh4A1 THR 258 HB -0.11 0.06 0.04 -0.04 4.32 4.28 2gh4A1 THR 258 HG23 -0.46 0.01 -0.07 -0.04 1.22 0.67 2gh4A1 GLY 259 H -0.19 0.58 0.00 -0.55 8.43 8.28 2gh4A1 GLY 259 HA2 -0.29 0.10 0.20 -0.51 4.01 3.51 2gh4A1 GLY 259 HA3 -0.15 0.16 0.33 -0.51 4.01 3.84 2gh4A1 LEU 260 H -0.29 -0.08 -0.30 -0.55 8.37 7.15 2gh4A1 LEU 260 HA -0.21 0.23 0.79 -0.75 4.35 4.41 2gh4A1 LEU 260 HB2 -0.19 -0.05 -0.08 -0.04 1.64 1.27 2gh4A1 LEU 260 HB3 -0.03 -0.06 0.07 -0.04 1.64 1.58 2gh4A1 LEU 260 HG -0.05 0.13 -0.34 -0.04 1.64 1.34 2gh4A1 LEU 260 HD13 0.01 0.02 -0.22 -0.04 0.93 0.70 2gh4A1 LEU 260 HD23 0.07 0.02 -0.13 -0.04 0.89 0.81 2gh4A1 TRP 261 H 0.23 0.17 0.17 -0.55 7.97 8.00 2gh4A1 TRP 261 HA -0.11 0.29 0.97 -0.75 4.62 5.01 2gh4A1 TRP 261 HB2 0.05 -0.10 0.00 -0.04 3.23 3.13 2gh4A1 TRP 261 HB3 0.09 0.02 -0.02 -0.04 3.23 3.29 2gh4A1 TRP 261 HD1 0.06 0.03 -0.16 -0.04 7.22 7.11 2gh4A1 TRP 261 HE1 -0.05 0.35 -0.16 -0.04 10.20 10.31 2gh4A1 TRP 261 HE3 0.06 -0.17 0.03 -0.04 7.59 7.47 2gh4A1 TRP 261 HZ2 -0.02 0.01 -0.12 -0.04 7.44 7.26 2gh4A1 TRP 261 HZ3 0.05 0.02 0.02 -0.04 7.13 7.19 2gh4A1 TRP 261 HH2 0.03 0.02 -0.10 -0.04 7.19 7.10 2gh4A1 TYR 262 H 0.24 0.28 0.11 -0.55 8.29 8.37 2gh4A1 TYR 262 HA -0.08 0.19 0.75 -0.75 4.56 4.67 2gh4A1 TYR 262 HB2 0.01 0.12 -0.07 -0.04 3.06 3.08 2gh4A1 TYR 262 HB3 -0.08 -0.11 -0.07 -0.04 2.98 2.68 2gh4A1 TYR 262 HD2 0.02 0.02 -0.18 -0.04 7.15 6.97 2gh4A1 TYR 262 HE2 0.02 0.04 -0.08 -0.04 6.85 6.79 2gh4A1 GLN 263 H -0.39 0.80 0.35 -0.55 8.47 8.68 2gh4A1 GLN 263 HA -0.36 -0.09 0.42 -0.75 4.36 3.58 2gh4A1 GLN 263 HB2 -1.81 0.11 0.11 -0.04 2.15 0.52 2gh4A1 GLN 263 HB3 -0.84 -0.05 0.14 -0.04 2.02 1.23 2gh4A1 GLN 263 HG2 -0.36 0.15 -0.29 -0.04 2.40 1.86 2gh4A1 GLN 263 HG3 -0.12 -0.11 -0.35 -0.04 2.39 1.77 2gh4A1 GLN 263 HE21 0.27 -0.08 0.01 -0.04 6.97 7.13 2gh4A1 GLN 263 HE22 0.05 0.48 0.02 -0.04 7.69 8.20 2gh4A1 ILE 264 H -0.11 0.18 -0.26 -0.55 8.25 7.51 2gh4A1 ILE 264 HA -0.03 0.24 0.89 -0.75 4.18 4.53 2gh4A1 ILE 264 HB 0.07 0.03 0.12 -0.04 1.89 2.07 2gh4A1 ILE 264 HG12 -0.22 -0.02 -0.18 -0.04 1.49 1.02 2gh4A1 ILE 264 HG13 -0.30 0.02 -0.04 -0.04 1.21 0.86 2gh4A1 ILE 264 HG23 0.17 -0.04 -0.06 -0.04 0.93 0.95 2gh4A1 ILE 264 HD13 -0.17 0.01 -0.14 -0.04 0.88 0.55 2gh4A1 VAL 265 H 0.00 0.33 0.09 -0.55 8.24 8.12 2gh4A1 VAL 265 HA 0.14 0.05 0.34 -0.75 4.13 3.90 2gh4A1 VAL 265 HB -0.13 -0.08 0.09 -0.04 2.12 1.96 2gh4A1 VAL 265 HG13 -0.14 0.03 -0.12 -0.04 0.97 0.70 2gh4A1 VAL 265 HG23 -0.02 0.02 -0.03 -0.04 0.95 0.88 2gh4A1 ASP 266 H -0.04 0.04 -0.11 -0.55 8.40 7.74 2gh4A1 ASP 266 HA -0.28 0.27 0.70 -0.75 4.63 4.56 2gh4A1 ASP 266 HB2 -0.06 0.07 0.19 -0.04 2.71 2.86 2gh4A1 ASP 266 HB3 -0.57 0.02 0.06 -0.04 2.70 2.17 2gh4A1 LYS 267 H 0.03 0.48 -0.39 -0.55 8.42 7.98 2gh4A1 LYS 267 HA 0.01 0.21 0.94 -0.75 4.32 4.72 2gh4A1 LYS 267 HB2 0.16 -0.01 0.08 -0.04 1.87 2.06 2gh4A1 LYS 267 HB3 0.04 -0.06 0.19 -0.04 1.79 1.92 2gh4A1 LYS 267 HG2 0.02 0.13 -0.07 -0.04 1.46 1.50 2gh4A1 LYS 267 HG3 0.07 -0.13 -0.53 -0.04 1.46 0.82 2gh4A1 LYS 267 HD2 0.19 -0.08 -0.04 -0.04 1.69 1.72 2gh4A1 LYS 267 HD3 -0.14 0.00 -0.00 -0.04 1.68 1.50 2gh4A1 LYS 267 HE2 0.01 0.08 -0.02 -0.04 2.99 3.01 2gh4A1 LYS 267 HE3 0.06 -0.03 -0.04 -0.04 2.99 2.93 2gh4A1 GLY 268 H -0.08 0.27 -0.08 -0.55 8.43 8.00 2gh4A1 GLY 268 HA2 -1.27 0.02 0.31 -0.51 4.01 2.57 2gh4A1 GLY 268 HA3 -0.74 0.09 0.28 -0.51 4.01 3.13 2gh4A1 ASP 269 H -0.11 0.03 -0.31 -0.55 8.40 7.47 2gh4A1 ASP 269 HA -0.07 0.11 0.40 -0.75 4.63 4.31 2gh4A1 ASP 269 HB2 -0.03 -0.05 0.04 -0.04 2.71 2.62 2gh4A1 ASP 269 HB3 -0.02 0.01 -0.05 -0.04 2.70 2.59 2gh4A1 ARG 270 H -0.06 0.13 -0.23 -0.55 8.46 7.76 2gh4A1 ARG 270 HA 0.00 -0.00 0.40 -0.75 4.34 3.99 2gh4A1 ARG 270 HB2 0.09 0.00 0.13 -0.04 1.90 2.08 2gh4A1 ARG 270 HB3 0.09 0.00 0.06 -0.04 1.80 1.90 2gh4A1 ARG 270 HG2 -0.03 0.00 0.09 -0.04 1.67 1.68 2gh4A1 ARG 270 HG3 -0.10 0.00 0.06 -0.04 1.67 1.59 2gh4A1 ARG 270 HD2 -0.03 0.02 -0.01 -0.04 3.22 3.16 2gh4A1 ARG 270 HD3 -0.10 0.02 0.02 -0.04 3.22 3.12 2gh4A1 SER 271 H 0.04 0.09 0.22 -0.55 8.46 8.26 2gh4A1 SER 271 HA 0.06 0.22 0.50 -0.75 4.49 4.51 2gh4A1 SER 271 HB2 0.05 0.03 0.11 -0.04 3.95 4.10 2gh4A1 SER 271 HB3 0.03 0.05 0.15 -0.04 3.93 4.12 2gh4A1 ASP 272 H 0.13 -0.06 -0.21 -0.55 8.40 7.72 2gh4A1 ASP 272 HA 0.15 0.21 0.68 -0.75 4.63 4.91 2gh4A1 ASP 272 HB2 0.18 0.03 0.06 -0.04 2.71 2.95 2gh4A1 ASP 272 HB3 0.14 -0.00 0.03 -0.04 2.70 2.83 2gh4A1 ASN 273 H 0.16 0.20 -0.44 -0.55 8.53 7.91 2gh4A1 ASN 273 HA 0.11 -0.01 0.52 -0.75 4.76 4.63 2gh4A1 ASN 273 HB2 0.11 -0.06 0.07 -0.04 2.88 2.96 2gh4A1 ASN 273 HB3 -0.07 0.22 -0.03 -0.04 2.79 2.87 2gh4A1 ASN 273 HD21 0.01 0.09 0.02 -0.04 7.03 7.11 2gh4A1 ASN 273 HD22 0.02 0.34 -0.09 -0.04 7.74 7.97 2gh4A1 TRP 274 H -0.15 0.01 0.21 -0.55 7.97 7.49 2gh4A1 TRP 274 HA 0.24 0.17 0.47 -0.75 4.62 4.75 2gh4A1 TRP 274 HB2 0.06 0.02 0.01 -0.04 3.23 3.29 2gh4A1 TRP 274 HB3 0.07 0.23 -0.01 -0.04 3.23 3.48 2gh4A1 TRP 274 HD1 0.04 0.30 -0.33 -0.04 7.22 7.19 2gh4A1 TRP 274 HE1 -0.02 0.27 0.22 -0.04 10.20 10.63 2gh4A1 TRP 274 HE3 0.03 0.25 -0.34 -0.04 7.59 7.49 2gh4A1 TRP 274 HZ2 -0.01 0.13 -0.05 -0.04 7.44 7.46 2gh4A1 TRP 274 HZ3 0.02 -0.02 -0.10 -0.04 7.13 6.99 2gh4A1 TRP 274 HH2 0.04 -0.10 -0.14 -0.04 7.19 6.95 2gh4A1 LEU 275 H 0.27 0.24 0.11 -0.55 8.37 8.45 2gh4A1 LEU 275 HA -0.19 0.09 0.56 -0.75 4.35 4.06 2gh4A1 LEU 275 HB2 0.01 0.05 0.11 -0.04 1.64 1.77 2gh4A1 LEU 275 HB3 -0.11 0.03 -0.09 -0.04 1.64 1.43 2gh4A1 LEU 275 HG -0.20 -0.00 -0.04 -0.04 1.64 1.36 2gh4A1 LEU 275 HD13 -0.20 0.01 -0.06 -0.04 0.93 0.64 2gh4A1 LEU 275 HD23 -0.99 -0.04 -0.37 -0.04 0.89 -0.55 2gh4A1 GLU 276 H -0.10 0.38 0.36 -0.55 8.60 8.69 2gh4A1 GLU 276 HA 0.24 0.35 0.95 -0.75 4.29 5.09 2gh4A1 GLU 276 HB2 -0.54 0.03 0.05 -0.04 2.09 1.59 2gh4A1 GLU 276 HB3 -0.21 -0.12 0.06 -0.04 1.99 1.68 2gh4A1 GLU 276 HG2 0.27 0.24 0.16 -0.04 2.34 2.96 2gh4A1 GLU 276 HG3 -0.08 0.03 0.06 -0.04 2.34 2.31 2gh4A1 SER 277 H 0.11 0.74 0.33 -0.55 8.46 9.09 2gh4A1 SER 277 HA 0.04 0.13 0.50 -0.75 4.49 4.41 2gh4A1 SER 277 HB2 0.05 -0.09 -0.06 -0.04 3.95 3.81 2gh4A1 SER 277 HB3 0.07 -0.03 -0.07 -0.04 3.93 3.86 2gh4A1 SER 278 H -0.04 0.09 0.10 -0.55 8.46 8.06 2gh4A1 SER 278 HA -0.11 0.16 0.40 -0.75 4.49 4.20 2gh4A1 SER 278 HB2 -0.21 0.12 -0.14 -0.04 3.95 3.68 2gh4A1 SER 278 HB3 -0.05 -0.03 0.01 -0.04 3.93 3.81 2gh4A1 GLY 279 H -0.32 0.07 -0.25 -0.55 8.43 7.38 2gh4A1 GLY 279 HA2 -0.81 0.06 0.31 -0.51 4.01 3.06 2gh4A1 GLY 279 HA3 -0.65 0.00 0.10 -0.51 4.01 2.95 2gh4A1 SER 280 H -0.19 0.31 -0.21 -0.55 8.46 7.82 2gh4A1 SER 280 HA 0.03 0.03 0.37 -0.75 4.49 4.16 2gh4A1 SER 280 HB2 0.08 0.16 0.17 -0.04 3.95 4.32 2gh4A1 SER 280 HB3 0.33 0.07 0.04 -0.04 3.93 4.33 2gh4A1 CYS 281 H -0.12 0.51 -0.23 -0.55 8.50 8.12 2gh4A1 CYS 281 HA -0.03 0.06 0.37 -0.75 4.58 4.23 2gh4A1 CYS 281 HB2 -0.08 0.01 0.03 -0.04 2.97 2.89 2gh4A1 CYS 281 HB3 -0.05 0.08 -0.34 -0.04 2.97 2.62 2gh4A1 LEU 282 H -0.40 0.44 -0.22 -0.55 8.37 7.64 2gh4A1 LEU 282 HA -0.22 0.06 0.46 -0.75 4.35 3.90 2gh4A1 LEU 282 HB2 -0.70 0.06 0.16 -0.04 1.64 1.12 2gh4A1 LEU 282 HB3 -0.43 0.05 -0.03 -0.04 1.64 1.20 2gh4A1 LEU 282 HG -0.58 0.18 0.03 -0.04 1.64 1.23 2gh4A1 LEU 282 HD13 -1.26 -0.06 -0.19 -0.04 0.93 -0.61 2gh4A1 LEU 282 HD23 -0.46 0.01 -0.05 -0.04 0.89 0.35 2gh4A1 TYR 283 H -0.57 0.53 -0.15 -0.55 8.29 7.55 2gh4A1 TYR 283 HA -0.36 0.00 0.41 -0.75 4.56 3.85 2gh4A1 TYR 283 HB2 -0.95 0.16 0.10 -0.04 3.06 2.33 2gh4A1 TYR 283 HB3 -0.93 -0.00 -0.04 -0.04 2.98 1.97 2gh4A1 TYR 283 HD2 -1.25 -0.00 -0.12 -0.04 7.15 5.74 2gh4A1 TYR 283 HE2 -0.49 -0.06 -0.22 -0.04 6.85 6.04 2gh4A1 MET 284 H -0.07 0.54 -0.17 -0.55 8.47 8.22 2gh4A1 MET 284 HA 0.03 0.00 0.37 -0.75 4.52 4.17 2gh4A1 MET 284 HB2 -0.00 0.12 0.17 -0.04 2.15 2.40 2gh4A1 MET 284 HB3 0.00 -0.02 -0.01 -0.04 2.03 1.96 2gh4A1 MET 284 HG2 0.19 -0.00 0.03 -0.04 2.63 2.80 2gh4A1 MET 284 HG3 0.23 0.13 0.03 -0.04 2.56 2.91 2gh4A1 MET 284 HE3 0.10 0.01 -0.07 -0.04 2.10 2.09 2gh4A1 TYR 285 H 0.03 0.48 -0.28 -0.55 8.29 7.97 2gh4A1 TYR 285 HA -0.08 0.05 0.44 -0.75 4.56 4.20 2gh4A1 TYR 285 HB2 -0.11 0.02 0.06 -0.04 3.06 2.99 2gh4A1 TYR 285 HB3 -0.13 0.09 0.16 -0.04 2.98 3.06 2gh4A1 TYR 285 HD2 -0.07 0.02 -0.42 -0.04 7.15 6.65 2gh4A1 TYR 285 HE2 -0.01 0.07 -0.09 -0.04 6.85 6.78 2gh4A1 ALA 286 H 0.04 0.57 -0.10 -0.55 8.40 8.36 2gh4A1 ALA 286 HA -0.03 0.05 0.38 -0.75 4.34 3.98 2gh4A1 ALA 286 HB3 -0.03 0.00 -0.08 -0.04 1.41 1.26 2gh4A1 ILE 287 H -0.11 0.61 -0.24 -0.55 8.25 7.97 2gh4A1 ILE 287 HA -0.18 0.02 0.41 -0.75 4.18 3.68 2gh4A1 ILE 287 HB -0.05 0.09 0.10 -0.04 1.89 1.99 2gh4A1 ILE 287 HG12 -0.29 -0.06 -0.03 -0.04 1.49 1.07 2gh4A1 ILE 287 HG13 -0.18 0.13 0.02 -0.04 1.21 1.14 2gh4A1 ILE 287 HG23 -0.04 -0.01 -0.20 -0.04 0.93 0.64 2gh4A1 ILE 287 HD13 -0.01 -0.02 -0.13 -0.04 0.88 0.68 2gh4A1 ALA 288 H -0.13 0.62 -0.09 -0.55 8.40 8.25 2gh4A1 ALA 288 HA -0.09 -0.01 0.37 -0.75 4.34 3.86 2gh4A1 ALA 288 HB3 -0.16 0.06 -0.04 -0.04 1.41 1.24 2gh4A1 LYS 289 H -0.35 0.66 -0.13 -0.55 8.42 8.04 2gh4A1 LYS 289 HA -0.25 0.03 0.41 -0.75 4.32 3.76 2gh4A1 LYS 289 HB2 -0.81 0.02 0.09 -0.04 1.87 1.12 2gh4A1 LYS 289 HB3 -0.29 0.01 0.13 -0.04 1.79 1.60 2gh4A1 LYS 289 HG2 -0.01 -0.06 -0.21 -0.04 1.46 1.13 2gh4A1 LYS 289 HG3 -0.02 0.02 -0.22 -0.04 1.46 1.20 2gh4A1 LYS 289 HD2 -0.13 -0.05 0.06 -0.04 1.69 1.53 2gh4A1 LYS 289 HD3 -0.15 -0.03 -0.02 -0.04 1.68 1.43 2gh4A1 LYS 289 HE2 0.11 -0.02 -0.06 -0.04 2.99 2.98 2gh4A1 LYS 289 HE3 0.07 0.05 0.02 -0.04 2.99 3.09 2gh4A1 GLY 290 H -0.12 0.55 -0.31 -0.55 8.43 8.00 2gh4A1 GLY 290 HA2 0.08 0.00 0.37 -0.51 4.01 3.95 2gh4A1 GLY 290 HA3 -0.01 0.07 0.27 -0.51 4.01 3.84 2gh4A1 ILE 291 H -0.09 0.59 -0.21 -0.55 8.25 7.99 2gh4A1 ILE 291 HA -0.03 0.09 0.44 -0.75 4.18 3.92 2gh4A1 ILE 291 HB -0.05 0.13 0.15 -0.04 1.89 2.08 2gh4A1 ILE 291 HG12 0.07 0.00 -0.24 -0.04 1.49 1.28 2gh4A1 ILE 291 HG13 -0.01 0.18 -0.01 -0.04 1.21 1.32 2gh4A1 ILE 291 HG23 -0.02 -0.02 -0.12 -0.04 0.93 0.73 2gh4A1 ILE 291 HD13 0.07 -0.05 -0.20 -0.04 0.88 0.65 2gh4A1 ASN 292 H -0.13 0.63 -0.03 -0.55 8.53 8.46 2gh4A1 ASN 292 HA -0.09 0.01 0.40 -0.75 4.76 4.32 2gh4A1 ASN 292 HB2 -0.14 0.07 0.15 -0.04 2.88 2.91 2gh4A1 ASN 292 HB3 -0.10 -0.05 0.06 -0.04 2.79 2.66 2gh4A1 ASN 292 HD21 -0.11 0.29 0.08 -0.04 7.03 7.25 2gh4A1 ASN 292 HD22 -0.14 -0.10 -0.02 -0.04 7.74 7.44 2gh4A1 LYS 293 H -0.31 0.45 -0.22 -0.55 8.42 7.79 2gh4A1 LYS 293 HA -0.27 0.11 0.66 -0.75 4.32 4.07 2gh4A1 LYS 293 HB2 -1.35 -0.01 0.08 -0.04 1.87 0.55 2gh4A1 LYS 293 HB3 -1.01 -0.07 0.11 -0.04 1.79 0.79 2gh4A1 LYS 293 HG2 -0.23 0.12 0.06 -0.04 1.46 1.38 2gh4A1 LYS 293 HG3 -0.13 0.00 0.03 -0.04 1.46 1.33 2gh4A1 LYS 293 HD2 -0.14 0.05 -0.10 -0.04 1.69 1.46 2gh4A1 LYS 293 HD3 -0.06 -0.03 -0.02 -0.04 1.68 1.53 2gh4A1 LYS 293 HE2 0.05 -0.04 0.02 -0.04 2.99 2.97 2gh4A1 LYS 293 HE3 -0.11 0.01 0.07 -0.04 2.99 2.91 2gh4A1 GLY 294 H -0.22 0.32 -0.43 -0.55 8.43 7.55 2gh4A1 GLY 294 HA2 -0.07 0.05 0.31 -0.51 4.01 3.80 2gh4A1 GLY 294 HA3 -0.08 0.06 0.55 -0.51 4.01 4.03 2gh4A1 TYR 295 H -0.26 0.50 0.06 -0.55 8.29 8.04 2gh4A1 TYR 295 HA 0.01 0.11 0.62 -0.75 4.56 4.54 2gh4A1 TYR 295 HB2 -0.03 -0.05 0.03 -0.04 3.06 2.97 2gh4A1 TYR 295 HB3 -0.00 -0.06 0.07 -0.04 2.98 2.94 2gh4A1 TYR 295 HD2 -0.00 -0.01 -0.11 -0.04 7.15 6.98 2gh4A1 TYR 295 HE2 0.02 0.12 -0.02 -0.04 6.85 6.93 2gh4A1 LEU 296 H 0.03 0.38 -0.17 -0.55 8.37 8.06 2gh4A1 LEU 296 HA 0.10 0.17 0.89 -0.75 4.35 4.76 2gh4A1 LEU 296 HB2 -0.00 0.00 -0.27 -0.04 1.64 1.33 2gh4A1 LEU 296 HB3 0.01 -0.02 -0.04 -0.04 1.64 1.55 2gh4A1 LEU 296 HG 0.02 -0.06 -0.34 -0.04 1.64 1.22 2gh4A1 LEU 296 HD13 -0.23 0.02 -0.03 -0.04 0.93 0.64 2gh4A1 LEU 296 HD23 -0.13 0.04 -0.13 -0.04 0.89 0.63 2gh4A1 ASP 297 H 0.25 0.12 0.10 -0.55 8.40 8.32 2gh4A1 ASP 297 HA 0.06 0.13 0.43 -0.75 4.63 4.50 2gh4A1 ASP 297 HB2 0.06 0.10 0.13 -0.04 2.71 2.96 2gh4A1 ASP 297 HB3 -0.00 -0.05 0.11 -0.04 2.70 2.71 2gh4A1 ARG 298 H 0.03 0.22 0.21 -0.55 8.46 8.36 2gh4A1 ARG 298 HA 0.05 0.13 0.38 -0.75 4.34 4.13 2gh4A1 ARG 298 HB2 0.00 0.03 0.18 -0.04 1.90 2.08 2gh4A1 ARG 298 HB3 0.00 0.01 -0.00 -0.04 1.80 1.76 2gh4A1 ARG 298 HG2 -0.00 0.07 0.07 -0.04 1.67 1.77 2gh4A1 ARG 298 HG3 -0.01 0.06 0.05 -0.04 1.67 1.73 2gh4A1 ARG 298 HD2 -0.01 0.02 0.02 -0.04 3.22 3.21 2gh4A1 ARG 298 HD3 0.01 -0.13 0.14 -0.04 3.22 3.20 2gh4A1 ALA 299 H -0.02 0.03 -0.60 -0.55 8.40 7.27 2gh4A1 ALA 299 HA -0.04 0.10 0.38 -0.75 4.34 4.03 2gh4A1 ALA 299 HB3 -0.14 0.02 0.02 -0.04 1.41 1.28 2gh4A1 TYR 300 H 0.09 0.55 -0.37 -0.55 8.29 8.01 2gh4A1 TYR 300 HA 0.02 0.04 0.43 -0.75 4.56 4.29 2gh4A1 TYR 300 HB2 -0.00 0.20 -0.01 -0.04 3.06 3.22 2gh4A1 TYR 300 HB3 0.01 -0.06 -0.02 -0.04 2.98 2.88 2gh4A1 TYR 300 HD2 0.02 0.09 0.02 -0.04 7.15 7.23 2gh4A1 TYR 300 HE2 0.00 -0.00 -0.02 -0.04 6.85 6.79 2gh4A1 GLU 301 H 0.07 0.55 -0.45 -0.55 8.60 8.22 2gh4A1 GLU 301 HA 0.07 0.02 0.32 -0.75 4.29 3.94 2gh4A1 GLU 301 HB2 0.03 0.10 0.14 -0.04 2.09 2.31 2gh4A1 GLU 301 HB3 0.02 0.03 0.07 -0.04 1.99 2.07 2gh4A1 GLU 301 HG2 0.03 -0.05 -0.17 -0.04 2.34 2.11 2gh4A1 GLU 301 HG3 0.03 -0.02 0.02 -0.04 2.34 2.33 2gh4A1 THR 302 H 0.03 0.33 -0.26 -0.55 8.28 7.83 2gh4A1 THR 302 HA 0.04 0.08 0.42 -0.75 4.39 4.18 2gh4A1 THR 302 HB 0.01 0.04 0.08 -0.04 4.32 4.41 2gh4A1 THR 302 HG23 0.01 0.01 -0.08 -0.04 1.22 1.11 2gh4A1 THR 303 H 0.08 0.19 -0.15 -0.55 8.28 7.85 2gh4A1 THR 303 HA 0.06 0.07 0.38 -0.75 4.39 4.14 2gh4A1 THR 303 HB 0.24 0.13 0.12 -0.04 4.32 4.78 2gh4A1 THR 303 HG23 0.26 -0.00 -0.07 -0.04 1.22 1.37 2gh4A1 LEU 304 H 0.13 0.49 -0.24 -0.55 8.37 8.20 2gh4A1 LEU 304 HA 0.17 0.00 0.41 -0.75 4.35 4.18 2gh4A1 LEU 304 HB2 0.09 -0.00 0.01 -0.04 1.64 1.69 2gh4A1 LEU 304 HB3 0.07 0.15 0.13 -0.04 1.64 1.96 2gh4A1 LEU 304 HG 0.02 -0.01 -0.19 -0.04 1.64 1.42 2gh4A1 LEU 304 HD13 0.02 -0.02 0.06 -0.04 0.93 0.95 2gh4A1 LEU 304 HD23 -0.02 -0.00 -0.06 -0.04 0.89 0.77 2gh4A1 LEU 305 H 0.09 0.67 -0.01 -0.55 8.37 8.57 2gh4A1 LEU 305 HA 0.19 0.00 0.48 -0.75 4.35 4.27 2gh4A1 LEU 305 HB2 0.09 0.06 0.12 -0.04 1.64 1.88 2gh4A1 LEU 305 HB3 0.16 -0.03 0.07 -0.04 1.64 1.80 2gh4A1 LEU 305 HG 0.08 0.26 0.12 -0.04 1.64 2.05 2gh4A1 LEU 305 HD13 0.06 -0.01 -0.04 -0.04 0.93 0.89 2gh4A1 LEU 305 HD23 0.16 -0.02 -0.03 -0.04 0.89 0.97 2gh4A1 LYS 306 H 0.08 0.48 -0.34 -0.55 8.42 8.09 2gh4A1 LYS 306 HA 0.05 0.03 0.48 -0.75 4.32 4.12 2gh4A1 LYS 306 HB2 0.02 -0.01 0.08 -0.04 1.87 1.92 2gh4A1 LYS 306 HB3 0.02 0.14 0.18 -0.04 1.79 2.08 2gh4A1 LYS 306 HG2 -0.05 -0.03 -0.27 -0.04 1.46 1.07 2gh4A1 LYS 306 HG3 -0.02 -0.02 -0.04 -0.04 1.46 1.34 2gh4A1 LYS 306 HD2 -0.03 -0.03 -0.05 -0.04 1.69 1.54 2gh4A1 LYS 306 HD3 -0.05 -0.01 -0.03 -0.04 1.68 1.54 2gh4A1 LYS 306 HE2 -0.14 -0.09 -0.11 -0.04 2.99 2.61 2gh4A1 LYS 306 HE3 -0.07 0.15 -0.07 -0.04 2.99 2.96 2gh4A1 ALA 307 H 0.10 0.42 -0.13 -0.55 8.40 8.24 2gh4A1 ALA 307 HA -0.00 0.11 0.44 -0.75 4.34 4.13 2gh4A1 ALA 307 HB3 0.23 0.01 0.13 -0.04 1.41 1.74 2gh4A1 TYR 308 H 0.22 0.54 -0.13 -0.55 8.29 8.37 2gh4A1 TYR 308 HA -0.00 -0.05 0.36 -0.75 4.56 4.11 2gh4A1 TYR 308 HB2 0.01 0.03 0.11 -0.04 3.06 3.17 2gh4A1 TYR 308 HB3 0.04 0.15 0.16 -0.04 2.98 3.29 2gh4A1 TYR 308 HD2 -0.01 -0.01 0.00 -0.04 7.15 7.09 2gh4A1 TYR 308 HE2 -0.14 0.04 -0.01 -0.04 6.85 6.70 2gh4A1 GLN 309 H 0.10 0.50 -0.26 -0.55 8.47 8.26 2gh4A1 GLN 309 HA -0.18 -0.01 0.40 -0.75 4.36 3.82 2gh4A1 GLN 309 HB2 0.03 0.00 0.13 -0.04 2.15 2.27 2gh4A1 GLN 309 HB3 0.02 0.16 0.20 -0.04 2.02 2.37 2gh4A1 GLN 309 HG2 0.00 -0.01 -0.01 -0.04 2.40 2.33 2gh4A1 GLN 309 HG3 -0.03 0.03 -0.32 -0.04 2.39 2.04 2gh4A1 GLN 309 HE21 -0.04 -0.02 -0.00 -0.04 6.97 6.86 2gh4A1 GLN 309 HE22 -0.05 0.01 -0.05 -0.04 7.69 7.57 2gh4A1 GLY 310 H 0.01 0.57 -0.11 -0.55 8.43 8.35 2gh4A1 GLY 310 HA2 0.06 -0.05 0.46 -0.51 4.01 3.97 2gh4A1 GLY 310 HA3 0.06 0.48 0.42 -0.51 4.01 4.46 2gh4A1 LEU 311 H 0.03 0.78 -0.17 -0.55 8.37 8.46 2gh4A1 LEU 311 HA 0.07 -0.07 0.34 -0.75 4.35 3.93 2gh4A1 LEU 311 HB2 0.10 0.03 0.03 -0.04 1.64 1.76 2gh4A1 LEU 311 HB3 0.05 0.13 0.17 -0.04 1.64 1.95 2gh4A1 LEU 311 HG 0.25 0.01 -0.31 -0.04 1.64 1.55 2gh4A1 LEU 311 HD13 0.16 -0.04 -0.05 -0.04 0.93 0.97 2gh4A1 LEU 311 HD23 0.11 -0.02 -0.08 -0.04 0.89 0.86 2gh4A1 ILE 312 H -0.16 0.61 -0.04 -0.55 8.25 8.11 2gh4A1 ILE 312 HA -0.12 -0.06 0.34 -0.75 4.18 3.59 2gh4A1 ILE 312 HB -0.30 0.11 0.12 -0.04 1.89 1.78 2gh4A1 ILE 312 HG12 -0.56 0.27 0.12 -0.04 1.49 1.28 2gh4A1 ILE 312 HG13 -0.88 -0.00 -0.02 -0.04 1.21 0.27 2gh4A1 ILE 312 HG23 -0.26 -0.02 -0.12 -0.04 0.93 0.50 2gh4A1 ILE 312 HD13 -0.56 -0.04 -0.06 -0.04 0.88 0.17 2gh4A1 GLN 313 H -0.14 0.57 -0.13 -0.55 8.47 8.23 2gh4A1 GLN 313 HA -0.14 0.01 0.42 -0.75 4.36 3.89 2gh4A1 GLN 313 HB2 -0.17 -0.02 0.13 -0.04 2.15 2.06 2gh4A1 GLN 313 HB3 -0.24 0.06 0.20 -0.04 2.02 2.00 2gh4A1 GLN 313 HG2 -0.81 -0.00 -0.26 -0.04 2.40 1.28 2gh4A1 GLN 313 HG3 -0.26 -0.05 0.02 -0.04 2.39 2.06 2gh4A1 GLN 313 HE21 -0.08 -0.02 -0.02 -0.04 6.97 6.82 2gh4A1 GLN 313 HE22 -0.24 -0.03 -0.03 -0.04 7.69 7.34 2gh4A1 HIS 314 H -0.03 0.76 0.03 -0.55 8.41 8.62 2gh4A1 HIS 314 HA -0.03 0.16 0.88 -0.75 4.63 4.89 2gh4A1 HIS 314 HB2 -0.03 0.12 0.08 -0.04 3.26 3.40 2gh4A1 HIS 314 HB3 -0.02 -0.11 0.07 -0.04 3.20 3.11 2gh4A1 HIS 314 HD2 -0.04 0.05 0.13 -0.04 6.97 7.06 2gh4A1 HIS 314 HE1 -0.01 -0.03 -0.03 -0.04 7.75 7.63 2gh4A1 LYS 315 H 0.01 0.60 0.01 -0.55 8.42 8.49 2gh4A1 LYS 315 HA -0.00 0.16 1.05 -0.75 4.32 4.77 2gh4A1 LYS 315 HB2 0.04 0.14 0.08 -0.04 1.87 2.09 2gh4A1 LYS 315 HB3 0.01 -0.10 0.15 -0.04 1.79 1.81 2gh4A1 LYS 315 HG2 0.07 0.02 -0.23 -0.04 1.46 1.28 2gh4A1 LYS 315 HG3 0.06 -0.12 -0.09 -0.04 1.46 1.27 2gh4A1 LYS 315 HD2 0.06 -0.02 -0.09 -0.04 1.69 1.60 2gh4A1 LYS 315 HD3 0.05 0.21 -0.18 -0.04 1.68 1.71 2gh4A1 LYS 315 HE2 0.03 -0.02 -0.15 -0.04 2.99 2.80 2gh4A1 LYS 315 HE3 0.06 -0.11 -0.25 -0.04 2.99 2.64 2gh4A1 THR 316 H -0.09 0.43 0.05 -0.55 8.28 8.12 2gh4A1 THR 316 HA -0.31 0.35 1.27 -0.75 4.39 4.94 2gh4A1 THR 316 HB -0.68 -0.08 0.09 -0.04 4.32 3.61 2gh4A1 THR 316 HG23 -0.06 -0.00 -0.20 -0.04 1.22 0.91 2gh4A1 GLU 317 H -0.50 0.43 0.37 -0.55 8.60 8.36 2gh4A1 GLU 317 HA -0.10 0.11 0.47 -0.75 4.29 4.02 2gh4A1 GLU 317 HB2 -0.07 -0.01 0.08 -0.04 2.09 2.05 2gh4A1 GLU 317 HB3 -0.10 0.21 -0.18 -0.04 1.99 1.88 2gh4A1 GLU 317 HG2 -0.15 -0.02 -0.23 -0.04 2.34 1.90 2gh4A1 GLU 317 HG3 -0.14 -0.07 -0.44 -0.04 2.34 1.66 2gh4A1 THR 318 H -0.03 0.24 0.15 -0.55 8.28 8.09 2gh4A1 THR 318 HA -0.03 0.29 0.96 -0.75 4.39 4.85 2gh4A1 THR 318 HB 0.05 0.00 0.06 -0.04 4.32 4.39 2gh4A1 THR 318 HG23 0.07 0.06 -0.25 -0.04 1.22 1.05 2gh4A1 SER 319 H -0.02 0.52 0.24 -0.55 8.46 8.65 2gh4A1 SER 319 HA -0.03 0.16 0.50 -0.75 4.49 4.37 2gh4A1 SER 319 HB2 -0.02 -0.02 0.16 -0.04 3.95 4.03 2gh4A1 SER 319 HB3 -0.04 0.13 0.10 -0.04 3.93 4.09 2gh4A1 GLU 320 H -0.01 0.17 0.17 -0.55 8.60 8.38 2gh4A1 GLU 320 HA -0.00 0.14 0.39 -0.75 4.29 4.06 2gh4A1 GLU 320 HB2 -0.01 0.02 0.15 -0.04 2.09 2.22 2gh4A1 GLU 320 HB3 -0.01 -0.05 0.10 -0.04 1.99 1.99 2gh4A1 GLU 320 HG2 -0.00 -0.00 -0.02 -0.04 2.34 2.27 2gh4A1 GLU 320 HG3 -0.00 0.04 -0.06 -0.04 2.34 2.28 2gh4A1 ASP 321 H -0.01 -0.05 -0.34 -0.55 8.40 7.45 2gh4A1 ASP 321 HA 0.00 0.17 0.48 -0.75 4.63 4.53 2gh4A1 ASP 321 HB2 -0.01 -0.07 -0.05 -0.04 2.71 2.54 2gh4A1 ASP 321 HB3 -0.00 0.07 0.05 -0.04 2.70 2.78 2gh4A1 GLY 322 H 0.01 0.45 -0.44 -0.55 8.43 7.90 2gh4A1 GLY 322 HA2 0.03 0.07 0.18 -0.51 4.01 3.79 2gh4A1 GLY 322 HA3 0.03 0.17 0.65 -0.51 4.01 4.35 2gh4A1 ALA 323 H 0.01 -0.09 -0.01 -0.55 8.40 7.76 2gh4A1 ALA 323 HA 0.05 0.21 0.74 -0.75 4.34 4.59 2gh4A1 ALA 323 HB3 -0.01 0.01 -0.02 -0.04 1.41 1.35 2gh4A1 PHE 324 H 0.18 0.21 0.13 -0.55 8.34 8.31 2gh4A1 PHE 324 HA -0.01 0.14 0.66 -0.75 4.62 4.66 2gh4A1 PHE 324 HB2 0.03 0.03 -0.05 -0.04 3.15 3.12 2gh4A1 PHE 324 HB3 -0.01 -0.02 -0.13 -0.04 3.06 2.86 2gh4A1 PHE 324 HD2 -0.05 -0.05 -0.16 -0.04 7.28 6.99 2gh4A1 PHE 324 HE2 -0.26 -0.01 -0.14 -0.04 7.38 6.94 2gh4A1 PHE 324 HZ -0.16 0.02 -0.08 -0.04 7.32 7.06 2gh4A1 LEU 325 H -0.59 0.74 0.39 -0.55 8.37 8.36 2gh4A1 LEU 325 HA -0.21 0.14 1.03 -0.75 4.35 4.55 2gh4A1 LEU 325 HB2 -0.22 0.02 -0.00 -0.04 1.64 1.40 2gh4A1 LEU 325 HB3 -0.15 -0.06 -0.10 -0.04 1.64 1.28 2gh4A1 LEU 325 HG -0.13 0.19 -0.15 -0.04 1.64 1.50 2gh4A1 LEU 325 HD13 -0.08 -0.03 -0.13 -0.04 0.93 0.65 2gh4A1 LEU 325 HD23 -0.07 0.03 -0.35 -0.04 0.89 0.45 2gh4A1 VAL 326 H -0.19 0.12 0.16 -0.55 8.24 7.77 2gh4A1 VAL 326 HA -0.26 0.44 1.00 -0.75 4.13 4.56 2gh4A1 VAL 326 HB -0.14 -0.19 0.13 -0.04 2.12 1.88 2gh4A1 VAL 326 HG13 -0.04 0.03 -0.12 -0.04 0.97 0.80 2gh4A1 VAL 326 HG23 -0.55 0.02 -0.16 -0.04 0.95 0.22 2gh4A1 LYS 327 H -0.10 0.78 0.25 -0.55 8.42 8.80 2gh4A1 LYS 327 HA -0.05 0.06 0.90 -0.75 4.32 4.48 2gh4A1 LYS 327 HB2 -0.05 -0.11 0.07 -0.04 1.87 1.73 2gh4A1 LYS 327 HB3 -0.07 0.03 -0.05 -0.04 1.79 1.65 2gh4A1 LYS 327 HG2 -0.04 0.17 0.02 -0.04 1.46 1.57 2gh4A1 LYS 327 HG3 -0.01 -0.02 -0.35 -0.04 1.46 1.04 2gh4A1 LYS 327 HD2 -0.04 -0.09 -0.03 -0.04 1.69 1.49 2gh4A1 LYS 327 HD3 -0.04 0.00 -0.07 -0.04 1.68 1.53 2gh4A1 LYS 327 HE2 -0.00 0.29 0.07 -0.04 2.99 3.31 2gh4A1 LYS 327 HE3 0.00 -0.07 -0.00 -0.04 2.99 2.88 2gh4A1 ASP 328 H -0.02 0.14 0.02 -0.55 8.40 7.99 2gh4A1 ASP 328 HA 0.01 0.02 0.30 -0.75 4.63 4.21 2gh4A1 ASP 328 HB2 0.09 0.18 -0.09 -0.04 2.71 2.85 2gh4A1 ASP 328 HB3 0.25 0.04 0.34 -0.04 2.70 3.29 2gh4A1 ILE 329 H 0.04 0.51 -0.01 -0.55 8.25 8.25 2gh4A1 ILE 329 HA 0.09 -0.14 0.86 -0.75 4.18 4.23 2gh4A1 ILE 329 HB 0.04 0.16 0.18 -0.04 1.89 2.23 2gh4A1 ILE 329 HG12 0.04 -0.11 -0.05 -0.04 1.49 1.33 2gh4A1 ILE 329 HG13 0.02 0.20 -0.29 -0.04 1.21 1.10 2gh4A1 ILE 329 HG23 0.05 -0.03 -0.12 -0.04 0.93 0.79 2gh4A1 ILE 329 HD13 0.01 -0.05 0.01 -0.04 0.88 0.82 2gh4A1 CYS 330 H 0.16 -0.03 0.16 -0.55 8.50 8.24 2gh4A1 CYS 330 HA 0.26 0.29 0.49 -0.75 4.58 4.87 2gh4A1 CYS 330 HB2 0.39 -0.00 0.09 -0.04 2.97 3.40 2gh4A1 CYS 330 HB3 0.23 -0.18 0.12 -0.04 2.97 3.10 2gh4A1 VAL 331 H 0.08 0.47 0.21 -0.55 8.24 8.45 2gh4A1 VAL 331 HA -0.02 -0.03 0.42 -0.75 4.13 3.75 2gh4A1 VAL 331 HB 0.09 -0.08 0.15 -0.04 2.12 2.23 2gh4A1 VAL 331 HG13 0.05 0.04 -0.01 -0.04 0.97 1.00 2gh4A1 VAL 331 HG23 0.05 0.09 0.00 -0.04 0.95 1.05 2gh4A1 GLY 332 H 0.11 0.06 0.12 -0.55 8.43 8.18 2gh4A1 GLY 332 HA2 0.19 -0.03 0.38 -0.51 4.01 4.04 2gh4A1 GLY 332 HA3 0.36 0.01 0.30 -0.51 4.01 4.17 2gh4A1 THR 333 H 0.37 0.11 0.19 -0.55 8.28 8.40 2gh4A1 THR 333 HA 0.11 0.16 0.90 -0.75 4.39 4.81 2gh4A1 THR 333 HB -0.54 -0.12 0.02 -0.04 4.32 3.64 2gh4A1 THR 333 HG23 -0.62 0.04 -0.09 -0.04 1.22 0.50 2gh4A1 SER 334 H 0.24 0.17 0.08 -0.55 8.46 8.40 2gh4A1 SER 334 HA 0.18 0.12 0.70 -0.75 4.49 4.73 2gh4A1 SER 334 HB2 -0.03 0.07 0.00 -0.04 3.95 3.95 2gh4A1 SER 334 HB3 0.11 -0.05 0.14 -0.04 3.93 4.08 2gh4A1 ALA 335 H -1.22 0.11 0.12 -0.55 8.40 6.86 2gh4A1 ALA 335 HA -0.81 0.04 0.52 -0.75 4.34 3.33 2gh4A1 ALA 335 HB3 -2.13 0.01 0.04 -0.04 1.41 -0.72 2gh4A1 GLY 336 H -0.56 0.15 0.17 -0.55 8.43 7.65 2gh4A1 GLY 336 HA2 -0.54 0.11 0.39 -0.51 4.01 3.46 2gh4A1 GLY 336 HA3 -0.66 0.06 0.34 -0.51 4.01 3.24 2gh4A1 PHE 337 H -0.03 0.15 0.14 -0.55 8.34 8.04 2gh4A1 PHE 337 HA 0.08 0.24 0.85 -0.75 4.62 5.04 2gh4A1 PHE 337 HB2 0.02 -0.03 0.07 -0.04 3.15 3.18 2gh4A1 PHE 337 HB3 0.09 -0.04 0.12 -0.04 3.06 3.19 2gh4A1 PHE 337 HD2 0.03 -0.04 0.03 -0.04 7.28 7.25 2gh4A1 PHE 337 HE2 0.04 0.04 -0.08 -0.04 7.38 7.34 2gh4A1 PHE 337 HZ 0.04 0.38 -0.20 -0.04 7.32 7.49 2gh4A1 TYR 338 H 0.43 0.24 0.14 -0.55 8.29 8.56 2gh4A1 TYR 338 HA 0.30 0.04 0.33 -0.75 4.56 4.49 2gh4A1 TYR 338 HB2 0.14 0.06 0.12 -0.04 3.06 3.34 2gh4A1 TYR 338 HB3 0.13 -0.01 0.14 -0.04 2.98 3.20 2gh4A1 TYR 338 HD2 0.08 -0.02 -0.12 -0.04 7.15 7.05 2gh4A1 TYR 338 HE2 0.05 0.03 -0.07 -0.04 6.85 6.82 2gh4A1 ASP 339 H 0.31 0.12 -0.10 -0.55 8.40 8.18 2gh4A1 ASP 339 HA 0.12 0.11 0.32 -0.75 4.63 4.43 2gh4A1 ASP 339 HB2 0.13 -0.04 0.01 -0.04 2.71 2.77 2gh4A1 ASP 339 HB3 0.11 0.10 -0.01 -0.04 2.70 2.85 2gh4A1 TYR 340 H 0.16 0.06 -0.45 -0.55 8.29 7.51 2gh4A1 TYR 340 HA -0.06 0.12 0.41 -0.75 4.56 4.28 2gh4A1 TYR 340 HB2 -0.07 -0.01 0.05 -0.04 3.06 2.99 2gh4A1 TYR 340 HB3 -0.30 0.04 0.13 -0.04 2.98 2.81 2gh4A1 TYR 340 HD2 -0.57 -0.01 -0.11 -0.04 7.15 6.41 2gh4A1 TYR 340 HE2 -0.29 0.17 -0.11 -0.04 6.85 6.58 2gh4A1 TYR 341 H -0.16 0.40 -0.08 -0.55 8.29 7.89 2gh4A1 TYR 341 HA -0.54 0.03 0.36 -0.75 4.56 3.66 2gh4A1 TYR 341 HB2 -0.27 0.10 0.11 -0.04 3.06 2.96 2gh4A1 TYR 341 HB3 -0.28 -0.04 -0.09 -0.04 2.98 2.52 2gh4A1 TYR 341 HD2 -0.59 -0.01 -0.20 -0.04 7.15 6.31 2gh4A1 TYR 341 HE2 -0.44 0.08 -0.11 -0.04 6.85 6.34 2gh4A1 VAL 342 H -0.16 0.47 -0.06 -0.55 8.24 7.94 2gh4A1 VAL 342 HA 0.29 -0.01 0.38 -0.75 4.13 4.03 2gh4A1 VAL 342 HB 0.27 0.36 0.08 -0.04 2.12 2.79 2gh4A1 VAL 342 HG13 -0.47 -0.06 -0.07 -0.04 0.97 0.33 2gh4A1 VAL 342 HG23 -0.00 0.00 -0.11 -0.04 0.95 0.80 2gh4A1 SER 343 H -0.01 0.19 -0.66 -0.55 8.46 7.43 2gh4A1 SER 343 HA 0.03 0.13 0.60 -0.75 4.49 4.50 2gh4A1 SER 343 HB2 -0.03 0.05 0.10 -0.04 3.95 4.02 2gh4A1 SER 343 HB3 -0.01 -0.09 0.11 -0.04 3.93 3.90 2gh4A1 ARG 344 H 0.04 0.35 -0.35 -0.55 8.46 7.94 2gh4A1 ARG 344 HA -0.10 -0.04 0.39 -0.75 4.34 3.84 2gh4A1 ARG 344 HB2 0.24 -0.01 0.04 -0.04 1.90 2.14 2gh4A1 ARG 344 HB3 0.02 -0.07 0.02 -0.04 1.80 1.73 2gh4A1 ARG 344 HG2 -0.32 0.24 0.24 -0.04 1.67 1.80 2gh4A1 ARG 344 HG3 -0.30 -0.15 0.03 -0.04 1.67 1.20 2gh4A1 ARG 344 HD2 -0.50 0.04 -0.03 -0.04 3.22 2.69 2gh4A1 ARG 344 HD3 -1.54 -0.10 -0.10 -0.04 3.22 1.45 2gh4A1 GLU 345 H -0.02 0.04 0.18 -0.55 8.60 8.25 2gh4A1 GLU 345 HA -0.09 0.11 0.43 -0.75 4.29 3.99 2gh4A1 GLU 345 HB2 -0.01 0.04 0.15 -0.04 2.09 2.23 2gh4A1 GLU 345 HB3 0.01 -0.13 0.12 -0.04 1.99 1.95 2gh4A1 GLU 345 HG2 -0.03 0.06 -0.35 -0.04 2.34 1.98 2gh4A1 GLU 345 HG3 -0.04 0.05 0.04 -0.04 2.34 2.35 2gh4A1 ARG 346 H -0.18 0.20 0.20 -0.55 8.46 8.13 2gh4A1 ARG 346 HA -0.04 0.09 0.59 -0.75 4.34 4.22 2gh4A1 ARG 346 HB2 -0.25 0.01 0.15 -0.04 1.90 1.77 2gh4A1 ARG 346 HB3 -0.20 -0.15 0.02 -0.04 1.80 1.43 2gh4A1 ARG 346 HG2 -1.27 0.01 -0.13 -0.04 1.67 0.24 2gh4A1 ARG 346 HG3 -0.70 0.11 0.04 -0.04 1.67 1.08 2gh4A1 ARG 346 HD2 -0.48 -0.03 0.02 -0.04 3.22 2.69 2gh4A1 ARG 346 HD3 -0.77 -0.03 -0.01 -0.04 3.22 2.37 2gh4A1 SER 347 H 0.02 0.75 0.27 -0.55 8.46 8.95 2gh4A1 SER 347 HA -0.02 0.23 0.97 -0.75 4.49 4.92 2gh4A1 SER 347 HB2 0.02 0.03 -0.12 -0.04 3.95 3.83 2gh4A1 SER 347 HB3 0.03 -0.02 0.01 -0.04 3.93 3.91 2gh4A1 THR 348 H -0.01 0.24 0.16 -0.55 8.28 8.12 2gh4A1 THR 348 HA -0.04 0.26 1.00 -0.75 4.39 4.86 2gh4A1 THR 348 HB -0.04 0.02 0.13 -0.04 4.32 4.38 2gh4A1 THR 348 HG23 -0.08 0.02 -0.25 -0.04 1.22 0.87 2gh4A1 ASN 349 H -0.04 0.67 0.34 -0.55 8.53 8.96 2gh4A1 ASN 349 HA -0.03 -0.00 0.33 -0.75 4.76 4.31 2gh4A1 ASN 349 HB2 -0.02 0.19 -0.20 -0.04 2.88 2.80 2gh4A1 ASN 349 HB3 -0.01 -0.00 0.21 -0.04 2.79 2.95 2gh4A1 ASN 349 HD21 -0.04 0.44 0.14 -0.04 7.03 7.53 2gh4A1 ASN 349 HD22 -0.04 0.00 -0.04 -0.04 7.74 7.63 2gh4A1 ASP 350 H 0.02 0.10 -0.40 -0.55 8.40 7.57 2gh4A1 ASP 350 HA 0.05 0.14 0.39 -0.75 4.63 4.45 2gh4A1 ASP 350 HB2 0.05 0.10 -0.10 -0.04 2.71 2.72 2gh4A1 ASP 350 HB3 0.06 -0.10 -0.01 -0.04 2.70 2.61 2gh4A1 LEU 351 H -0.01 0.24 0.16 -0.55 8.37 8.21 2gh4A1 LEU 351 HA -0.06 0.08 0.30 -0.75 4.35 3.93 2gh4A1 LEU 351 HB2 -0.12 -0.07 0.06 -0.04 1.64 1.46 2gh4A1 LEU 351 HB3 -0.07 0.15 0.04 -0.04 1.64 1.72 2gh4A1 LEU 351 HG -0.15 0.02 0.09 -0.04 1.64 1.55 2gh4A1 LEU 351 HD13 -0.17 0.03 -0.13 -0.04 0.93 0.62 2gh4A1 LEU 351 HD23 -0.46 0.02 0.00 -0.04 0.89 0.41 2gh4A1 HIS 352 H 0.15 0.07 -0.39 -0.55 8.41 7.69 2gh4A1 HIS 352 HA 0.13 0.09 0.37 -0.75 4.63 4.47 2gh4A1 HIS 352 HB2 0.02 -0.00 -0.01 -0.04 3.26 3.24 2gh4A1 HIS 352 HB3 0.04 -0.01 -0.09 -0.04 3.20 3.09 2gh4A1 HIS 352 HD2 0.65 -0.00 -0.05 -0.04 6.97 7.52 2gh4A1 HIS 352 HE1 -0.44 -0.01 0.02 -0.04 7.75 7.27 2gh4A1 GLY 353 H 0.11 0.24 -0.20 -0.55 8.43 8.04 2gh4A1 GLY 353 HA2 0.02 0.01 0.46 -0.51 4.01 3.99 2gh4A1 GLY 353 HA3 0.05 0.05 0.23 -0.51 4.01 3.83 2gh4A1 ALA 354 H 0.08 0.43 -0.19 -0.55 8.40 8.18 2gh4A1 ALA 354 HA 0.15 0.07 0.37 -0.75 4.34 4.17 2gh4A1 ALA 354 HB3 0.12 0.03 -0.04 -0.04 1.41 1.48 2gh4A1 GLY 355 H 0.19 0.52 -0.22 -0.55 8.43 8.37 2gh4A1 GLY 355 HA2 0.16 0.08 0.45 -0.51 4.01 4.19 2gh4A1 GLY 355 HA3 0.16 0.06 -0.00 -0.51 4.01 3.72 2gh4A1 ALA 356 H 0.06 0.33 -0.25 -0.55 8.40 7.99 2gh4A1 ALA 356 HA -0.11 0.05 0.34 -0.75 4.34 3.86 2gh4A1 ALA 356 HB3 -0.16 0.00 0.07 -0.04 1.41 1.28 2gh4A1 PHE 357 H 0.22 0.54 -0.27 -0.55 8.34 8.28 2gh4A1 PHE 357 HA 0.03 0.01 0.35 -0.75 4.62 4.26 2gh4A1 PHE 357 HB2 0.06 0.06 0.06 -0.04 3.15 3.30 2gh4A1 PHE 357 HB3 0.10 0.06 0.11 -0.04 3.06 3.29 2gh4A1 PHE 357 HD2 0.09 -0.00 -0.22 -0.04 7.28 7.10 2gh4A1 PHE 357 HE2 0.08 -0.00 -0.30 -0.04 7.38 7.12 2gh4A1 PHE 357 HZ 0.05 0.02 -0.12 -0.04 7.32 7.23 2gh4A1 ILE 358 H 0.26 0.57 -0.09 -0.55 8.25 8.44 2gh4A1 ILE 358 HA 0.12 -0.01 0.41 -0.75 4.18 3.95 2gh4A1 ILE 358 HB 0.05 0.06 0.15 -0.04 1.89 2.11 2gh4A1 ILE 358 HG12 0.17 0.02 0.09 -0.04 1.49 1.73 2gh4A1 ILE 358 HG13 0.29 0.09 0.11 -0.04 1.21 1.65 2gh4A1 ILE 358 HG23 -0.06 -0.02 -0.23 -0.04 0.93 0.57 2gh4A1 ILE 358 HD13 0.09 -0.03 -0.07 -0.04 0.88 0.83 2gh4A1 LEU 359 H 0.01 0.56 -0.17 -0.55 8.37 8.23 2gh4A1 LEU 359 HA 0.03 0.03 0.38 -0.75 4.35 4.03 2gh4A1 LEU 359 HB2 -0.13 0.07 0.13 -0.04 1.64 1.67 2gh4A1 LEU 359 HB3 -0.32 -0.03 -0.04 -0.04 1.64 1.20 2gh4A1 LEU 359 HG -0.04 0.02 0.07 -0.04 1.64 1.65 2gh4A1 LEU 359 HD13 -0.15 -0.03 -0.13 -0.04 0.93 0.59 2gh4A1 LEU 359 HD23 -0.05 -0.01 -0.14 -0.04 0.89 0.64 2gh4A1 ALA 360 H -0.01 0.57 -0.22 -0.55 8.40 8.20 2gh4A1 ALA 360 HA 0.17 -0.02 0.37 -0.75 4.34 4.10 2gh4A1 ALA 360 HB3 -0.08 0.05 0.09 -0.04 1.41 1.42 2gh4A1 MET 361 H -0.15 0.54 -0.20 -0.55 8.47 8.11 2gh4A1 MET 361 HA -0.22 -0.02 0.40 -0.75 4.52 3.92 2gh4A1 MET 361 HB2 -0.08 0.15 0.08 -0.04 2.15 2.26 2gh4A1 MET 361 HB3 -0.10 -0.10 -0.23 -0.04 2.03 1.56 2gh4A1 MET 361 HG2 -0.55 0.39 0.05 -0.04 2.63 2.47 2gh4A1 MET 361 HG3 -0.09 -0.11 -0.07 -0.04 2.56 2.25 2gh4A1 MET 361 HE3 -0.51 -0.02 -0.09 -0.04 2.10 1.43 2gh4A1 THR 362 H -0.02 0.48 -0.28 -0.55 8.28 7.91 2gh4A1 THR 362 HA -0.04 -0.00 0.42 -0.75 4.39 4.01 2gh4A1 THR 362 HB 0.01 0.01 0.00 -0.04 4.32 4.29 2gh4A1 THR 362 HG23 -0.02 0.03 -0.11 -0.04 1.22 1.08 2gh4A1 GLU 363 H -0.03 0.34 -0.22 -0.55 8.60 8.14 2gh4A1 GLU 363 HA -0.09 0.16 0.68 -0.75 4.29 4.27 2gh4A1 GLU 363 HB2 -0.24 0.06 0.11 -0.04 2.09 1.98 2gh4A1 GLU 363 HB3 -0.27 -0.09 -0.09 -0.04 1.99 1.50 2gh4A1 GLU 363 HG2 -0.07 0.02 -0.04 -0.04 2.34 2.20 2gh4A1 GLU 363 HG3 -0.93 -0.01 0.01 -0.04 2.34 1.36 2gh4A1 LEU 364 H -0.12 0.34 -0.16 -0.55 8.37 7.88 2gh4A1 LEU 364 HA -0.11 0.04 0.55 -0.75 4.35 4.07 2gh4A1 LEU 364 HB2 -0.20 0.12 0.07 -0.04 1.64 1.59 2gh4A1 LEU 364 HB3 -0.28 -0.01 0.17 -0.04 1.64 1.49 2gh4A1 LEU 364 HG -0.42 -0.03 -0.11 -0.04 1.64 1.04 2gh4A1 LEU 364 HD13 -0.11 -0.01 -0.01 -0.04 0.93 0.76 2gh4A1 LEU 364 HD23 -0.70 -0.01 -0.04 -0.04 0.89 0.10 2gh4A1 GLU 365 H -0.12 0.54 -0.01 -0.55 8.60 8.47 2gh4A1 GLU 365 HA -0.05 -0.07 0.40 -0.75 4.29 3.81 2gh4A1 GLU 365 HB2 -0.08 -0.04 0.16 -0.04 2.09 2.10 2gh4A1 GLU 365 HB3 -0.04 0.20 0.10 -0.04 1.99 2.20 2gh4A1 GLU 365 HG2 -0.02 0.06 -0.00 -0.04 2.34 2.34 2gh4A1 GLU 365 HG3 0.01 0.03 -0.26 -0.04 2.34 2.09 2gh4A1 PRO 366 HA -0.00 0.03 0.39 -0.51 4.44 4.34 2gh4A1 PRO 366 HB2 -0.04 0.06 0.03 -0.04 2.28 2.29 2gh4A1 PRO 366 HB3 -0.03 0.02 0.05 -0.04 2.02 2.02 2gh4A1 PRO 366 HG2 -0.05 0.10 0.06 -0.04 2.03 2.10 2gh4A1 PRO 366 HG3 -0.03 0.00 0.06 -0.04 2.03 2.02 2gh4A1 PRO 366 HD2 -0.06 0.21 -0.64 -0.04 3.68 3.15 2gh4A1 PRO 366 HD3 -0.04 0.13 -0.03 -0.04 3.65 3.67 2gh4A1 LEU 367 H -0.02 0.33 -0.18 -0.55 8.37 7.95 2gh4A1 LEU 367 HA -0.01 0.03 0.45 -0.75 4.35 4.06 2gh4A1 LEU 367 HB2 -0.01 0.14 0.17 -0.04 1.64 1.89 2gh4A1 LEU 367 HB3 0.00 -0.08 0.02 -0.04 1.64 1.54 2gh4A1 LEU 367 HG -0.05 0.10 0.09 -0.04 1.64 1.74 2gh4A1 LEU 367 HD13 -0.04 -0.01 0.06 -0.04 0.93 0.89 2gh4A1 LEU 367 HD23 -0.03 -0.01 -0.03 -0.04 0.89 0.78 2gh4A1 PHE 368 H 0.12 0.59 -0.07 -0.55 8.34 8.43 2gh4A1 PHE 368 HA -0.03 -0.01 0.44 -0.75 4.62 4.26 2gh4A1 PHE 368 HB2 -0.13 -0.05 0.06 -0.04 3.15 2.98 2gh4A1 PHE 368 HB3 -0.07 0.16 0.20 -0.04 3.06 3.31 2gh4A1 PHE 368 HD2 0.00 -0.01 -0.01 -0.04 7.28 7.22 2gh4A1 PHE 368 HE2 0.10 -0.03 -0.02 -0.04 7.38 7.38 2gh4A1 PHE 368 HZ 0.09 -0.02 -0.12 -0.04 7.32 7.23 2gh4A1 ARG 369 H 0.09 0.49 -0.15 -0.55 8.46 8.34 2gh4A1 ARG 369 HA -0.13 0.09 0.61 -0.75 4.34 4.15 2gh4A1 ARG 369 HB2 0.03 0.10 0.11 -0.04 1.90 2.10 2gh4A1 ARG 369 HB3 -0.00 -0.03 0.04 -0.04 1.80 1.76 2gh4A1 ARG 369 HG2 0.06 -0.02 0.04 -0.04 1.67 1.71 2gh4A1 ARG 369 HG3 0.22 -0.04 -0.01 -0.04 1.67 1.81 2gh4A1 ARG 369 HD2 0.06 -0.02 -0.05 -0.04 3.22 3.16 2gh4A1 ARG 369 HD3 0.02 0.02 -0.01 -0.04 3.22 3.22 2gh4A1 SER 370 H -0.03 0.32 -0.21 -0.55 8.46 7.99 2gh4A1 SER 370 HA -0.05 0.14 0.83 -0.75 4.49 4.66 2gh4A1 SER 370 HB2 -0.03 -0.09 0.15 -0.04 3.95 3.93 2gh4A1 SER 370 HB3 -0.03 0.01 0.05 -0.04 3.93 3.92 2gh4A1 ALA 371 H -0.10 0.24 -0.31 -0.55 8.40 7.68 2gh4A1 ALA 371 HA -0.04 -0.06 0.44 -0.75 4.34 3.92 2gh4A1 ALA 371 HB3 -0.10 0.04 0.11 -0.04 1.41 1.41 2gh4A1 GLY 372 H -0.03 0.12 0.17 -0.55 8.43 8.14 2gh4A1 GLY 372 HA2 -0.03 -0.05 0.35 -0.51 4.01 3.77 2gh4A1 GLY 372 HA3 -0.04 0.15 0.69 -0.51 4.01 4.30 2gh4A1 LYS 373 H -0.04 0.49 -0.33 -0.55 8.42 8.00 2gh4A1 LYS 373 HA -0.03 0.10 0.29 -0.75 4.32 3.93 2gh4A1 LYS 373 HB2 -0.03 0.15 0.14 -0.04 1.87 2.09 2gh4A1 LYS 373 HB3 -0.02 -0.07 0.08 -0.04 1.79 1.73 2gh4A1 LYS 373 HG2 -0.04 0.10 -0.19 -0.04 1.46 1.29 2gh4A1 LYS 373 HG3 -0.03 -0.03 0.05 -0.04 1.46 1.41 2gh4A1 LYS 373 HD2 -0.03 -0.05 0.00 -0.04 1.69 1.57 2gh4A1 LYS 373 HD3 -0.03 -0.01 -0.10 -0.04 1.68 1.49 2gh4A1 LYS 373 HE2 -0.03 -0.02 0.01 -0.04 2.99 2.91 2gh4A1 LYS 373 HE3 -0.03 -0.06 -0.02 -0.04 2.99 2.84