============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 6 1.000 14.023 -20.554 -3.191 -99.200 -91.000 HIS 39 0.900 6.516 -3.554 21.401 -99.200 -91.000 TYR 44 0.840 3.147 -8.600 8.381 -99.200 -91.000 TYR 45 0.840 6.715 -5.387 7.686 -99.200 -91.000 TYR 68 0.840 -6.372 3.013 1.597 -99.200 -91.000 TRP 70 1.040 -7.084 2.462 12.728 -99.200 -91.000 TRP6 70 1.020 -8.787 0.986 12.007 -99.200 -91.000 TYR 75 0.840 3.503 12.284 9.692 -99.200 -91.000 TRP 83 1.040 8.007 2.915 9.786 -99.200 -91.000 TRP6 83 1.020 7.182 0.823 9.056 -99.200 -91.000 HIS 91 0.900 18.294 -3.992 8.911 -99.200 -91.000 PHE 98 1.000 15.607 -0.720 -0.661 -99.200 -91.000 TRP 102 1.040 0.591 5.111 -0.136 -99.200 -91.000 TRP6 102 1.020 -0.755 3.841 1.341 -99.200 -91.000 HIS 103 0.900 0.401 13.004 -0.845 -99.200 -91.000 HIS 109 0.900 -14.192 10.734 4.477 -99.200 -91.000 PHE 132 1.000 -8.904 0.502 5.610 -99.200 -91.000 PHE 142 1.000 -13.639 -1.322 3.299 -99.200 -91.000 TYR 163 0.840 6.742 11.568 -2.247 -99.200 -91.000 PHE 175 1.000 12.052 1.259 6.900 -99.200 -91.000 HIS 181 0.900 2.174 2.862 -4.142 -99.200 -91.000 TYR 186 0.840 -2.705 4.484 -3.525 -99.200 -91.000 PHE 191 1.000 0.944 15.763 -10.163 -99.200 -91.000 TYR 203 0.840 5.123 20.239 -12.029 -99.200 -91.000 PHE 213 1.000 4.678 15.389 -7.613 -99.200 -91.000 TYR 252 0.840 2.943 3.693 -16.535 -99.200 -91.000 HIS 262 0.900 16.049 10.840 -11.880 -99.200 -91.000 TYR 266 0.840 13.216 -1.699 -5.457 -99.200 -91.000 HIS 268 0.900 7.624 -4.014 -6.400 -99.200 -91.000 TRP 274 1.040 -6.868 -4.990 -3.819 -99.200 -91.000 TRP6 274 1.020 -6.841 -6.306 -1.853 -99.200 -91.000 PHE 284 1.000 4.565 -2.231 -20.978 -99.200 -91.000 TYR 292 0.840 15.435 -0.007 -13.672 -99.200 -91.000 TYR 298 0.840 7.780 -7.271 -14.495 -99.200 -91.000 TYR 302 0.840 4.914 -12.826 -11.544 -99.200 -91.000 PHE 321 1.000 6.450 -15.432 -5.290 -99.200 -91.000 PHE 325 1.000 7.113 -13.605 1.910 -99.200 -91.000 HIS 337 0.900 12.163 -28.271 1.110 -99.200 -91.000 TYR 339 0.840 7.797 -28.200 2.728 -99.200 -91.000 HIS 344 0.900 -5.701 -13.197 1.552 -99.200 -91.000 PHE 350 1.000 -6.780 -3.863 4.063 -99.200 -91.000 TYR 360 0.840 -2.399 -15.861 8.088 -99.200 -91.000 TYR 363 0.840 4.236 -28.055 5.125 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2gq8A1 MET 1 HA -0.01 0.01 0.13 -0.75 4.52 3.90 2gq8A1 THR 2 H 0.02 0.17 0.10 -0.55 8.28 8.03 2gq8A1 THR 2 HA 0.04 -0.10 0.33 -0.75 4.39 3.91 2gq8A1 THR 2 HB 0.27 -0.08 0.12 -0.04 4.32 4.60 2gq8A1 THR 2 HG23 0.06 -0.01 -0.25 -0.04 1.22 0.98 2gq8A1 GLN 3 H 0.03 0.13 -0.13 -0.55 8.47 7.96 2gq8A1 GLN 3 HA 0.08 0.17 0.32 -0.75 4.36 4.17 2gq8A1 GLN 3 HB2 0.01 0.04 0.05 -0.04 2.15 2.20 2gq8A1 GLN 3 HB3 0.01 -0.06 0.08 -0.04 2.02 2.01 2gq8A1 GLN 3 HG2 0.02 0.03 -0.18 -0.04 2.40 2.23 2gq8A1 GLN 3 HG3 0.02 0.05 0.01 -0.04 2.39 2.43 2gq8A1 GLN 3 HE21 -0.00 -0.02 -0.02 -0.04 6.97 6.88 2gq8A1 GLN 3 HE22 0.00 0.03 -0.05 -0.04 7.69 7.63 2gq8A1 SER 4 H 0.01 0.03 -0.07 -0.55 8.46 7.89 2gq8A1 SER 4 HA -0.00 0.16 0.46 -0.75 4.49 4.35 2gq8A1 SER 4 HB2 -0.02 -0.08 0.07 -0.04 3.95 3.88 2gq8A1 SER 4 HB3 -0.03 0.12 0.00 -0.04 3.93 3.99 2gq8A1 LEU 5 H -0.03 -0.07 -0.38 -0.55 8.37 7.34 2gq8A1 LEU 5 HA -0.16 0.09 0.34 -0.75 4.35 3.86 2gq8A1 LEU 5 HB2 -0.09 -0.14 0.02 -0.04 1.64 1.38 2gq8A1 LEU 5 HB3 -0.25 0.21 0.03 -0.04 1.64 1.58 2gq8A1 LEU 5 HG -0.56 0.00 -0.08 -0.04 1.64 0.97 2gq8A1 LEU 5 HD13 -0.05 0.00 -0.11 -0.04 0.93 0.73 2gq8A1 LEU 5 HD23 -0.13 -0.01 -0.07 -0.04 0.89 0.64 2gq8A1 PHE 6 H 0.05 0.32 -0.52 -0.55 8.34 7.63 2gq8A1 PHE 6 HA -0.02 0.10 0.92 -0.75 4.62 4.86 2gq8A1 PHE 6 HB2 -0.04 0.07 0.12 -0.04 3.15 3.25 2gq8A1 PHE 6 HB3 -0.04 -0.02 0.21 -0.04 3.06 3.17 2gq8A1 PHE 6 HD2 -0.05 0.16 0.01 -0.04 7.28 7.36 2gq8A1 PHE 6 HE2 -0.07 -0.04 -0.12 -0.04 7.38 7.11 2gq8A1 PHE 6 HZ -0.12 0.07 0.05 -0.04 7.32 7.28 2gq8A1 GLN 7 H -0.03 0.38 -0.35 -0.55 8.47 7.93 2gq8A1 GLN 7 HA 0.03 0.07 0.76 -0.75 4.36 4.46 2gq8A1 GLN 7 HB2 -0.02 0.15 0.19 -0.04 2.15 2.43 2gq8A1 GLN 7 HB3 -0.01 0.04 0.09 -0.04 2.02 2.10 2gq8A1 GLN 7 HG2 0.02 0.16 0.04 -0.04 2.40 2.58 2gq8A1 GLN 7 HG3 -0.00 -0.12 0.05 -0.04 2.39 2.28 2gq8A1 GLN 7 HE21 0.00 -0.07 0.03 -0.04 6.97 6.89 2gq8A1 GLN 7 HE22 -0.00 0.04 0.04 -0.04 7.69 7.74 2gq8A1 PRO 8 HA -0.01 0.13 0.16 -0.51 4.44 4.21 2gq8A1 PRO 8 HB2 0.00 -0.05 0.03 -0.04 2.28 2.23 2gq8A1 PRO 8 HB3 0.01 0.07 0.10 -0.04 2.02 2.17 2gq8A1 PRO 8 HG2 0.00 -0.05 -0.03 -0.04 2.03 1.90 2gq8A1 PRO 8 HG3 0.01 -0.03 0.05 -0.04 2.03 2.01 2gq8A1 PRO 8 HD2 0.01 -0.02 0.24 -0.04 3.68 3.88 2gq8A1 PRO 8 HD3 0.02 0.20 0.20 -0.04 3.65 4.03 2gq8A1 ILE 9 H -0.01 0.44 0.19 -0.55 8.25 8.32 2gq8A1 ILE 9 HA -0.02 0.06 0.57 -0.75 4.18 4.04 2gq8A1 ILE 9 HB -0.04 0.17 -0.29 -0.04 1.89 1.68 2gq8A1 ILE 9 HG12 -0.03 0.16 -0.21 -0.04 1.49 1.36 2gq8A1 ILE 9 HG13 -0.03 -0.07 0.09 -0.04 1.21 1.17 2gq8A1 ILE 9 HG23 -0.06 -0.01 -0.23 -0.04 0.93 0.58 2gq8A1 ILE 9 HD13 -0.05 -0.01 -0.09 -0.04 0.88 0.69 2gq8A1 THR 10 H -0.01 0.14 0.13 -0.55 8.28 8.00 2gq8A1 THR 10 HA 0.00 0.19 0.86 -0.75 4.39 4.69 2gq8A1 THR 10 HB -0.00 -0.05 0.14 -0.04 4.32 4.37 2gq8A1 THR 10 HG23 0.01 -0.01 -0.14 -0.04 1.22 1.04 2gq8A1 LEU 11 H 0.02 0.75 0.06 -0.55 8.37 8.65 2gq8A1 LEU 11 HA 0.03 0.15 0.81 -0.75 4.35 4.59 2gq8A1 LEU 11 HB2 -0.03 0.02 -0.21 -0.04 1.64 1.38 2gq8A1 LEU 11 HB3 0.03 -0.04 0.06 -0.04 1.64 1.64 2gq8A1 LEU 11 HG 0.12 0.04 -0.18 -0.04 1.64 1.57 2gq8A1 LEU 11 HD13 0.07 -0.00 -0.12 -0.04 0.93 0.83 2gq8A1 LEU 11 HD23 -0.20 -0.02 -0.19 -0.04 0.89 0.44 2gq8A1 GLY 12 H 0.05 0.18 0.01 -0.55 8.43 8.11 2gq8A1 GLY 12 HA2 0.04 0.01 0.38 -0.51 4.01 3.94 2gq8A1 GLY 12 HA3 0.08 0.15 0.59 -0.51 4.01 4.31 2gq8A1 ALA 13 H 0.05 0.21 0.26 -0.55 8.40 8.38 2gq8A1 ALA 13 HA 0.02 0.12 0.64 -0.75 4.34 4.36 2gq8A1 ALA 13 HB3 0.02 -0.00 0.12 -0.04 1.41 1.50 2gq8A1 LEU 14 H 0.06 0.44 -0.27 -0.55 8.37 8.05 2gq8A1 LEU 14 HA 0.03 0.16 0.84 -0.75 4.35 4.62 2gq8A1 LEU 14 HB2 0.07 0.04 0.02 -0.04 1.64 1.73 2gq8A1 LEU 14 HB3 0.06 0.03 0.00 -0.04 1.64 1.69 2gq8A1 LEU 14 HG 0.10 -0.08 0.02 -0.04 1.64 1.63 2gq8A1 LEU 14 HD13 0.23 0.01 -0.01 -0.04 0.93 1.12 2gq8A1 LEU 14 HD23 0.05 0.02 -0.03 -0.04 0.89 0.89 2gq8A1 THR 15 H 0.02 0.25 0.15 -0.55 8.28 8.15 2gq8A1 THR 15 HA 0.01 0.14 0.89 -0.75 4.39 4.68 2gq8A1 THR 15 HB 0.01 0.04 -0.03 -0.04 4.32 4.31 2gq8A1 THR 15 HG23 0.01 -0.01 -0.17 -0.04 1.22 1.02 2gq8A1 LEU 16 H -0.00 0.81 0.30 -0.55 8.37 8.94 2gq8A1 LEU 16 HA 0.01 0.17 0.93 -0.75 4.35 4.70 2gq8A1 LEU 16 HB2 -0.04 0.02 0.08 -0.04 1.64 1.66 2gq8A1 LEU 16 HB3 -0.03 0.04 0.13 -0.04 1.64 1.74 2gq8A1 LEU 16 HG -0.02 -0.01 -0.17 -0.04 1.64 1.40 2gq8A1 LEU 16 HD13 -0.11 -0.01 -0.25 -0.04 0.93 0.52 2gq8A1 LEU 16 HD23 0.01 0.07 -0.17 -0.04 0.89 0.75 2gq8A1 LYS 17 H 0.02 0.24 0.24 -0.55 8.42 8.37 2gq8A1 LYS 17 HA 0.03 0.03 0.41 -0.75 4.32 4.04 2gq8A1 ASN 18 H -0.01 0.13 0.00 -0.55 8.53 8.10 2gq8A1 ASN 18 HA -0.03 0.38 0.23 -0.75 4.76 4.58 2gq8A1 ASN 18 HB2 -0.24 0.13 0.29 -0.04 2.88 3.02 2gq8A1 ASN 18 HB3 0.08 0.14 -0.12 -0.04 2.79 2.85 2gq8A1 ASN 18 HD21 0.10 0.37 0.02 -0.04 7.03 7.48 2gq8A1 ASN 18 HD22 0.17 0.02 -0.12 -0.04 7.74 7.76 2gq8A1 ARG 19 H -0.19 0.68 0.29 -0.55 8.46 8.68 2gq8A1 ARG 19 HA -0.11 0.15 0.67 -0.75 4.34 4.29 2gq8A1 ARG 19 HB2 -0.15 -0.12 0.19 -0.04 1.90 1.78 2gq8A1 ARG 19 HB3 -0.12 0.01 0.36 -0.04 1.80 2.01 2gq8A1 ARG 19 HG2 -0.10 0.18 0.09 -0.04 1.67 1.80 2gq8A1 ARG 19 HG3 -0.08 -0.07 0.04 -0.04 1.67 1.52 2gq8A1 ARG 19 HD2 -0.08 0.12 0.01 -0.04 3.22 3.23 2gq8A1 ARG 19 HD3 -0.07 -0.07 -0.39 -0.04 3.22 2.65 2gq8A1 ILE 20 H -0.10 0.11 -0.25 -0.55 8.25 7.45 2gq8A1 ILE 20 HA 0.05 0.24 0.88 -0.75 4.18 4.59 2gq8A1 ILE 20 HB 0.00 -0.03 0.12 -0.04 1.89 1.94 2gq8A1 ILE 20 HG12 -0.01 -0.02 -0.05 -0.04 1.49 1.37 2gq8A1 ILE 20 HG13 -0.29 0.02 -0.06 -0.04 1.21 0.85 2gq8A1 ILE 20 HG23 0.23 -0.01 -0.17 -0.04 0.93 0.94 2gq8A1 ILE 20 HD13 -0.37 0.01 -0.05 -0.04 0.88 0.42 2gq8A1 VAL 21 H 0.04 0.64 0.35 -0.55 8.24 8.72 2gq8A1 VAL 21 HA -0.06 0.30 1.01 -0.75 4.13 4.63 2gq8A1 VAL 21 HB -0.21 -0.14 -0.26 -0.04 2.12 1.48 2gq8A1 VAL 21 HG13 -0.25 -0.01 -0.50 -0.04 0.97 0.16 2gq8A1 VAL 21 HG23 -0.30 0.01 -0.38 -0.04 0.95 0.24 2gq8A1 MET 22 H -0.08 0.72 0.32 -0.55 8.47 8.88 2gq8A1 MET 22 HA 0.08 0.17 0.85 -0.75 4.52 4.86 2gq8A1 MET 22 HB2 -0.97 0.06 0.15 -0.04 2.15 1.35 2gq8A1 MET 22 HB3 -0.27 -0.10 0.30 -0.04 2.03 1.91 2gq8A1 MET 22 HG2 -0.15 0.11 -0.14 -0.04 2.63 2.41 2gq8A1 MET 22 HG3 -0.49 0.01 0.08 -0.04 2.56 2.12 2gq8A1 MET 22 HE3 -0.40 -0.01 -0.08 -0.04 2.10 1.58 2gq8A1 PRO 23 HA 0.05 0.07 0.34 -0.51 4.44 4.39 2gq8A1 PRO 23 HB2 0.00 0.07 -0.10 -0.04 2.28 2.21 2gq8A1 PRO 23 HB3 0.09 -0.06 -0.10 -0.04 2.02 1.90 2gq8A1 PRO 23 HG2 0.01 0.06 -0.19 -0.04 2.03 1.86 2gq8A1 PRO 23 HG3 0.03 -0.18 -0.31 -0.04 2.03 1.53 2gq8A1 PRO 23 HD2 0.13 0.31 0.10 -0.04 3.68 4.17 2gq8A1 PRO 23 HD3 0.11 0.03 -0.02 -0.04 3.65 3.73 2gq8A1 PRO 24 HA 0.01 0.23 0.02 -0.51 4.44 4.19 2gq8A1 PRO 24 HB2 -0.22 -0.17 -0.08 -0.04 2.28 1.76 2gq8A1 PRO 24 HB3 -0.13 0.24 -0.09 -0.04 2.02 2.00 2gq8A1 PRO 24 HG2 -0.23 -0.05 0.02 -0.04 2.03 1.72 2gq8A1 PRO 24 HG3 -0.27 -0.02 -0.06 -0.04 2.03 1.63 2gq8A1 PRO 24 HD2 0.02 -0.00 0.07 -0.04 3.68 3.72 2gq8A1 PRO 24 HD3 0.03 0.14 0.03 -0.04 3.65 3.80 2gq8A1 MET 25 H 0.10 0.21 0.00 -0.55 8.47 8.23 2gq8A1 MET 25 HA -0.01 0.03 0.75 -0.75 4.52 4.54 2gq8A1 MET 25 HB2 0.09 0.07 0.03 -0.04 2.15 2.30 2gq8A1 MET 25 HB3 0.03 0.06 -0.07 -0.04 2.03 2.00 2gq8A1 MET 25 HG2 -0.08 -0.07 -0.07 -0.04 2.63 2.37 2gq8A1 MET 25 HG3 -0.02 0.17 -0.75 -0.04 2.56 1.92 2gq8A1 MET 25 HE3 0.06 0.10 -0.05 -0.04 2.10 2.17 2gq8A1 THR 26 H 0.06 0.10 0.07 -0.55 8.28 7.97 2gq8A1 THR 26 HA 0.21 -0.03 0.52 -0.75 4.39 4.34 2gq8A1 THR 26 HB 0.32 0.04 0.12 -0.04 4.32 4.77 2gq8A1 THR 26 HG23 0.37 0.01 -0.13 -0.04 1.22 1.43 2gq8A1 ARG 27 H 0.25 -0.05 0.30 -0.55 8.46 8.40 2gq8A1 ARG 27 HA 0.15 0.49 0.96 -0.75 4.34 5.19 2gq8A1 ARG 27 HB2 -0.04 -0.19 0.05 -0.04 1.90 1.68 2gq8A1 ARG 27 HB3 -0.11 0.17 0.12 -0.04 1.80 1.94 2gq8A1 ARG 27 HG2 0.02 0.12 -0.08 -0.04 1.67 1.69 2gq8A1 ARG 27 HG3 -0.49 -0.01 -0.00 -0.04 1.67 1.13 2gq8A1 ARG 27 HD2 -0.00 0.16 -0.33 -0.04 3.22 3.01 2gq8A1 ARG 27 HD3 0.00 -0.08 -0.11 -0.04 3.22 2.99 2gq8A1 SER 28 H 0.35 -0.10 0.13 -0.55 8.46 8.29 2gq8A1 SER 28 HA 0.39 0.09 0.19 -0.75 4.49 4.41 2gq8A1 SER 28 HB2 0.64 -0.06 -0.15 -0.04 3.95 4.34 2gq8A1 SER 28 HB3 0.80 0.07 0.10 -0.04 3.93 4.87 2gq8A1 ARG 29 H 0.16 -0.05 -0.07 -0.55 8.46 7.95 2gq8A1 ARG 29 HA 0.02 0.29 0.79 -0.75 4.34 4.69 2gq8A1 ARG 29 HB2 -0.01 -0.13 -0.09 -0.04 1.90 1.63 2gq8A1 ARG 29 HB3 -0.03 -0.08 0.03 -0.04 1.80 1.67 2gq8A1 ARG 29 HG2 -0.00 0.02 -0.38 -0.04 1.67 1.27 2gq8A1 ARG 29 HG3 -0.12 -0.05 -0.18 -0.04 1.67 1.29 2gq8A1 ARG 29 HD2 -0.05 -0.03 -0.31 -0.04 3.22 2.79 2gq8A1 ARG 29 HD3 0.02 0.07 -0.43 -0.04 3.22 2.85 2gq8A1 ALA 30 H 0.17 0.42 -0.01 -0.55 8.40 8.44 2gq8A1 ALA 30 HA -0.03 0.02 0.25 -0.75 4.34 3.83 2gq8A1 ALA 30 HB3 0.07 -0.05 -0.43 -0.04 1.41 0.97 2gq8A1 SER 31 H -0.05 0.61 0.20 -0.55 8.46 8.67 2gq8A1 SER 31 HA -0.03 0.08 0.45 -0.75 4.49 4.24 2gq8A1 SER 31 HB2 -0.04 -0.00 0.08 -0.04 3.95 3.94 2gq8A1 SER 31 HB3 -0.02 0.06 -0.03 -0.04 3.93 3.90 2gq8A1 GLN 32 H -0.02 0.22 0.19 -0.55 8.47 8.32 2gq8A1 GLN 32 HA 0.06 -0.13 0.75 -0.75 4.36 4.28 2gq8A1 GLN 32 HB2 0.01 0.04 0.09 -0.04 2.15 2.25 2gq8A1 GLN 32 HB3 0.09 -0.03 0.07 -0.04 2.02 2.10 2gq8A1 GLN 32 HG2 0.02 0.18 -0.10 -0.04 2.40 2.45 2gq8A1 GLN 32 HG3 0.12 -0.00 -0.02 -0.04 2.39 2.44 2gq8A1 GLN 32 HE21 0.26 -0.11 -0.13 -0.04 6.97 6.94 2gq8A1 GLN 32 HE22 0.21 0.54 -0.38 -0.04 7.69 8.03 2gq8A1 PRO 33 HA 0.06 0.01 0.42 -0.51 4.44 4.42 2gq8A1 PRO 33 HB2 0.03 0.02 0.06 -0.04 2.28 2.36 2gq8A1 PRO 33 HB3 0.04 0.04 0.11 -0.04 2.02 2.17 2gq8A1 PRO 33 HG2 0.02 0.03 -0.02 -0.04 2.03 2.02 2gq8A1 PRO 33 HG3 0.02 0.05 0.06 -0.04 2.03 2.12 2gq8A1 PRO 33 HD2 0.01 0.13 0.40 -0.04 3.68 4.18 2gq8A1 PRO 33 HD3 0.02 0.09 0.11 -0.04 3.65 3.82 2gq8A1 GLY 34 H 0.05 0.12 0.14 -0.55 8.43 8.19 2gq8A1 GLY 34 HA2 0.01 -0.00 0.31 -0.51 4.01 3.82 2gq8A1 GLY 34 HA3 -0.01 0.24 0.78 -0.51 4.01 4.51 2gq8A1 ASP 35 H 0.05 0.12 -0.07 -0.55 8.40 7.95 2gq8A1 ASP 35 HA 0.07 0.09 0.08 -0.75 4.63 4.12 2gq8A1 ASP 35 HB2 0.02 0.04 -0.05 -0.04 2.71 2.68 2gq8A1 ASP 35 HB3 0.07 0.16 0.27 -0.04 2.70 3.16 2gq8A1 VAL 36 H -0.03 0.46 -0.12 -0.55 8.24 7.99 2gq8A1 VAL 36 HA -0.16 0.14 0.89 -0.75 4.13 4.25 2gq8A1 VAL 36 HB -0.08 -0.04 -0.02 -0.04 2.12 1.94 2gq8A1 VAL 36 HG13 -0.12 0.07 -0.11 -0.04 0.97 0.77 2gq8A1 VAL 36 HG23 -0.05 -0.00 -0.27 -0.04 0.95 0.58 2gq8A1 ALA 37 H -0.47 0.20 0.21 -0.55 8.40 7.79 2gq8A1 ALA 37 HA -0.45 -0.01 0.39 -0.75 4.34 3.52 2gq8A1 ALA 37 HB3 -1.22 0.01 -0.11 -0.04 1.41 0.04 2gq8A1 ASN 38 H -0.17 0.08 0.16 -0.55 8.53 8.06 2gq8A1 ASN 38 HA -0.19 0.29 0.91 -0.75 4.76 5.01 2gq8A1 ASN 38 HB2 0.01 -0.19 0.20 -0.04 2.88 2.86 2gq8A1 ASN 38 HB3 -0.07 0.17 -0.14 -0.04 2.79 2.71 2gq8A1 ASN 38 HD21 -0.03 0.57 0.09 -0.04 7.03 7.61 2gq8A1 ASN 38 HD22 -0.04 -0.06 0.06 -0.04 7.74 7.66 2gq8A1 HIS 39 H -0.04 0.20 0.17 -0.55 8.41 8.19 2gq8A1 HIS 39 HA 0.01 0.14 0.34 -0.75 4.63 4.37 2gq8A1 HIS 39 HB2 -0.01 -0.05 0.14 -0.04 3.26 3.30 2gq8A1 HIS 39 HB3 0.00 0.08 0.03 -0.04 3.20 3.27 2gq8A1 HIS 39 HD2 -0.02 -0.03 0.11 -0.04 6.97 6.98 2gq8A1 HIS 39 HE1 -0.00 0.04 0.02 -0.04 7.75 7.76 2gq8A1 MET 40 H 0.10 0.12 -0.05 -0.55 8.47 8.08 2gq8A1 MET 40 HA 0.07 0.11 0.41 -0.75 4.52 4.36 2gq8A1 MET 40 HB2 0.01 0.06 -0.00 -0.04 2.15 2.17 2gq8A1 MET 40 HB3 0.02 -0.02 0.08 -0.04 2.03 2.07 2gq8A1 MET 40 HG2 0.01 -0.09 0.02 -0.04 2.63 2.53 2gq8A1 MET 40 HG3 -0.01 0.05 -0.16 -0.04 2.56 2.40 2gq8A1 MET 40 HE3 -0.03 -0.04 0.03 -0.04 2.10 2.02 2gq8A1 MET 41 H 0.04 0.04 -0.37 -0.55 8.47 7.64 2gq8A1 MET 41 HA 0.11 0.13 0.42 -0.75 4.52 4.43 2gq8A1 MET 41 HB2 0.02 0.01 0.13 -0.04 2.15 2.27 2gq8A1 MET 41 HB3 0.27 0.05 0.01 -0.04 2.03 2.32 2gq8A1 MET 41 HG2 0.03 0.07 -0.04 -0.04 2.63 2.65 2gq8A1 MET 41 HG3 -0.01 -0.01 -0.07 -0.04 2.56 2.44 2gq8A1 MET 41 HE3 -0.19 0.03 0.00 -0.04 2.10 1.91 2gq8A1 ALA 42 H 0.10 0.42 -0.13 -0.55 8.40 8.24 2gq8A1 ALA 42 HA 0.21 0.02 0.41 -0.75 4.34 4.24 2gq8A1 ALA 42 HB3 0.06 0.03 -0.03 -0.04 1.41 1.43 2gq8A1 ILE 43 H 0.12 0.44 -0.15 -0.55 8.25 8.11 2gq8A1 ILE 43 HA 0.08 0.06 0.41 -0.75 4.18 3.97 2gq8A1 ILE 43 HB 0.09 0.04 0.16 -0.04 1.89 2.14 2gq8A1 ILE 43 HG12 0.07 0.02 0.01 -0.04 1.49 1.55 2gq8A1 ILE 43 HG13 0.09 0.08 0.05 -0.04 1.21 1.39 2gq8A1 ILE 43 HG23 0.07 0.00 -0.10 -0.04 0.93 0.86 2gq8A1 ILE 43 HD13 0.05 -0.04 -0.04 -0.04 0.88 0.81 2gq8A1 TYR 44 H 0.20 0.50 -0.14 -0.55 8.29 8.29 2gq8A1 TYR 44 HA -0.02 0.06 0.36 -0.75 4.56 4.21 2gq8A1 TYR 44 HB2 -0.05 -0.05 0.03 -0.04 3.06 2.94 2gq8A1 TYR 44 HB3 -0.12 0.03 0.23 -0.04 2.98 3.08 2gq8A1 TYR 44 HD2 -0.50 0.07 0.00 -0.04 7.15 6.68 2gq8A1 TYR 44 HE2 -0.34 0.01 0.01 -0.04 6.85 6.48 2gq8A1 TYR 45 H 0.17 0.53 -0.13 -0.55 8.29 8.30 2gq8A1 TYR 45 HA -0.34 0.07 0.42 -0.75 4.56 3.96 2gq8A1 TYR 45 HB2 0.05 0.05 0.10 -0.04 3.06 3.22 2gq8A1 TYR 45 HB3 -0.04 -0.00 -0.08 -0.04 2.98 2.82 2gq8A1 TYR 45 HD2 0.06 0.08 -0.07 -0.04 7.15 7.18 2gq8A1 TYR 45 HE2 0.27 -0.01 -0.04 -0.04 6.85 7.02 2gq8A1 ALA 46 H 0.11 0.55 -0.14 -0.55 8.40 8.38 2gq8A1 ALA 46 HA 0.04 0.04 0.32 -0.75 4.34 3.98 2gq8A1 ALA 46 HB3 0.05 -0.01 0.01 -0.04 1.41 1.42 2gq8A1 GLN 47 H 0.01 0.54 -0.31 -0.55 8.47 8.17 2gq8A1 GLN 47 HA 0.04 -0.03 0.42 -0.75 4.36 4.04 2gq8A1 GLN 47 HB2 0.01 0.24 0.14 -0.04 2.15 2.50 2gq8A1 GLN 47 HB3 0.05 -0.09 0.06 -0.04 2.02 2.01 2gq8A1 GLN 47 HG2 0.06 -0.10 0.05 -0.04 2.40 2.36 2gq8A1 GLN 47 HG3 0.06 0.18 0.05 -0.04 2.39 2.63 2gq8A1 GLN 47 HE21 0.08 0.44 0.16 -0.04 6.97 7.61 2gq8A1 GLN 47 HE22 0.06 -0.12 0.02 -0.04 7.69 7.61 2gq8A1 ARG 48 H -0.07 0.40 -0.52 -0.55 8.46 7.72 2gq8A1 ARG 48 HA 0.10 0.34 0.95 -0.75 4.34 4.97 2gq8A1 ARG 48 HB2 -0.33 0.07 0.16 -0.04 1.90 1.76 2gq8A1 ARG 48 HB3 -0.60 -0.14 0.23 -0.04 1.80 1.25 2gq8A1 ARG 48 HG2 0.13 0.01 0.10 -0.04 1.67 1.87 2gq8A1 ARG 48 HG3 -0.08 -0.08 -0.21 -0.04 1.67 1.27 2gq8A1 ARG 48 HD2 -0.82 0.06 -0.02 -0.04 3.22 2.40 2gq8A1 ARG 48 HD3 -0.44 -0.13 -0.03 -0.04 3.22 2.58 2gq8A1 ALA 49 H 0.02 0.42 -0.32 -0.55 8.40 7.98 2gq8A1 ALA 49 HA -0.01 0.01 0.29 -0.75 4.34 3.88 2gq8A1 ALA 49 HB3 0.03 0.02 0.03 -0.04 1.41 1.44 2gq8A1 SER 50 H 0.11 0.11 -0.55 -0.55 8.46 7.58 2gq8A1 SER 50 HA 0.08 0.21 0.62 -0.75 4.49 4.65 2gq8A1 SER 50 HB2 0.11 -0.07 0.11 -0.04 3.95 4.06 2gq8A1 SER 50 HB3 0.09 0.01 0.05 -0.04 3.93 4.05 2gq8A1 ALA 51 H 0.11 0.32 -0.26 -0.55 8.40 8.02 2gq8A1 ALA 51 HA 0.21 -0.07 0.40 -0.75 4.34 4.12 2gq8A1 ALA 51 HB3 0.03 0.00 -0.05 -0.04 1.41 1.35 2gq8A1 GLY 52 H 0.03 0.42 0.24 -0.55 8.43 8.57 2gq8A1 GLY 52 HA2 0.01 -0.02 0.61 -0.51 4.01 4.10 2gq8A1 GLY 52 HA3 -0.03 0.15 0.34 -0.51 4.01 3.96 2gq8A1 LEU 53 H -0.05 0.32 0.09 -0.55 8.37 8.18 2gq8A1 LEU 53 HA -0.06 0.23 0.71 -0.75 4.35 4.47 2gq8A1 LEU 53 HB2 -0.19 0.08 -0.25 -0.04 1.64 1.24 2gq8A1 LEU 53 HB3 -0.22 -0.09 -0.15 -0.04 1.64 1.15 2gq8A1 LEU 53 HG -0.22 -0.03 -0.66 -0.04 1.64 0.69 2gq8A1 LEU 53 HD13 -0.25 0.03 -0.25 -0.04 0.93 0.42 2gq8A1 LEU 53 HD23 -0.58 -0.03 -0.30 -0.04 0.89 -0.06 2gq8A1 ILE 54 H -0.04 0.68 0.23 -0.55 8.25 8.57 2gq8A1 ILE 54 HA -0.10 0.12 0.97 -0.75 4.18 4.42 2gq8A1 ILE 54 HB -0.05 0.02 0.07 -0.04 1.89 1.90 2gq8A1 ILE 54 HG12 -0.18 0.00 -0.04 -0.04 1.49 1.23 2gq8A1 ILE 54 HG13 -0.08 0.01 -0.26 -0.04 1.21 0.84 2gq8A1 ILE 54 HG23 -0.01 -0.03 -0.30 -0.04 0.93 0.55 2gq8A1 ILE 54 HD13 -0.02 -0.00 -0.23 -0.04 0.88 0.58 2gq8A1 VAL 55 H -0.04 0.77 0.13 -0.55 8.24 8.55 2gq8A1 VAL 55 HA 0.02 0.10 0.83 -0.75 4.13 4.33 2gq8A1 VAL 55 HB -0.00 -0.03 -0.00 -0.04 2.12 2.04 2gq8A1 VAL 55 HG13 0.01 0.02 -0.20 -0.04 0.97 0.76 2gq8A1 VAL 55 HG23 -0.06 -0.01 -0.29 -0.04 0.95 0.55 2gq8A1 SER 56 H -0.11 0.70 0.23 -0.55 8.46 8.73 2gq8A1 SER 56 HA -0.01 0.08 0.40 -0.75 4.49 4.20 2gq8A1 SER 56 HB2 -0.24 -0.04 0.09 -0.04 3.95 3.72 2gq8A1 SER 56 HB3 -0.32 0.08 0.08 -0.04 3.93 3.73 2gq8A1 GLU 57 H 0.44 0.13 0.12 -0.55 8.60 8.73 2gq8A1 GLU 57 HA 0.04 -0.13 0.28 -0.75 4.29 3.72 2gq8A1 GLU 57 HB2 0.18 -0.14 -0.13 -0.04 2.09 1.97 2gq8A1 GLU 57 HB3 0.30 0.34 -0.04 -0.04 1.99 2.55 2gq8A1 GLU 57 HG2 0.61 -0.08 0.04 -0.04 2.34 2.87 2gq8A1 GLU 57 HG3 0.43 0.18 -0.17 -0.04 2.34 2.74 2gq8A1 GLY 58 H -0.35 -0.02 0.02 -0.55 8.43 7.53 2gq8A1 GLY 58 HA2 -0.22 0.19 0.33 -0.51 4.01 3.80 2gq8A1 GLY 58 HA3 -0.98 -0.09 0.25 -0.51 4.01 2.69 2gq8A1 THR 59 H 0.19 0.66 0.30 -0.55 8.28 8.89 2gq8A1 THR 59 HA 0.45 0.32 0.92 -0.75 4.39 5.33 2gq8A1 THR 59 HB 0.46 0.03 -0.13 -0.04 4.32 4.63 2gq8A1 THR 59 HG23 -0.13 0.01 -0.09 -0.04 1.22 0.97 2gq8A1 GLN 60 H 0.32 0.26 0.07 -0.55 8.47 8.57 2gq8A1 GLN 60 HA 0.14 0.26 0.54 -0.75 4.36 4.55 2gq8A1 GLN 60 HB2 -0.08 -0.08 -0.07 -0.04 2.15 1.87 2gq8A1 GLN 60 HB3 -0.06 -0.01 -0.09 -0.04 2.02 1.82 2gq8A1 GLN 60 HG2 0.30 -0.17 0.06 -0.04 2.40 2.56 2gq8A1 GLN 60 HG3 0.17 0.08 -0.06 -0.04 2.39 2.53 2gq8A1 GLN 60 HE21 0.13 0.43 -0.08 -0.04 6.97 7.40 2gq8A1 GLN 60 HE22 0.16 -0.09 -0.05 -0.04 7.69 7.66 2gq8A1 ILE 61 H -0.04 0.42 0.31 -0.55 8.25 8.39 2gq8A1 ILE 61 HA 0.12 0.16 0.51 -0.75 4.18 4.21 2gq8A1 ILE 61 HB -0.11 0.10 -0.02 -0.04 1.89 1.82 2gq8A1 ILE 61 HG12 -0.22 0.12 0.10 -0.04 1.49 1.45 2gq8A1 ILE 61 HG13 -0.20 -0.05 -0.26 -0.04 1.21 0.66 2gq8A1 ILE 61 HG23 -0.04 0.02 -0.02 -0.04 0.93 0.86 2gq8A1 ILE 61 HD13 -0.79 -0.03 -0.13 -0.04 0.88 -0.11 2gq8A1 SER 62 H -0.16 0.17 -0.15 -0.55 8.46 7.77 2gq8A1 SER 62 HA -1.02 0.18 0.44 -0.75 4.49 3.33 2gq8A1 SER 62 HB2 -0.32 0.05 0.13 -0.04 3.95 3.77 2gq8A1 SER 62 HB3 -0.23 0.19 -0.23 -0.04 3.93 3.62 2gq8A1 PRO 63 HA -0.12 0.11 0.47 -0.51 4.44 4.39 2gq8A1 PRO 63 HB2 -0.15 0.04 0.04 -0.04 2.28 2.17 2gq8A1 PRO 63 HB3 -0.07 0.06 0.06 -0.04 2.02 2.02 2gq8A1 PRO 63 HG2 -0.16 0.08 0.06 -0.04 2.03 1.97 2gq8A1 PRO 63 HG3 -0.20 0.04 0.04 -0.04 2.03 1.88 2gq8A1 PRO 63 HD2 -0.37 0.12 0.19 -0.04 3.68 3.58 2gq8A1 PRO 63 HD3 -1.12 0.16 0.16 -0.04 3.65 2.81 2gq8A1 THR 64 H -0.22 0.10 -0.22 -0.55 8.28 7.39 2gq8A1 THR 64 HA -0.16 0.27 0.70 -0.75 4.39 4.44 2gq8A1 THR 64 HB -0.08 0.05 0.09 -0.04 4.32 4.34 2gq8A1 THR 64 HG23 -0.09 0.03 -0.06 -0.04 1.22 1.05 2gq8A1 ALA 65 H -0.34 0.35 -0.46 -0.55 8.40 7.40 2gq8A1 ALA 65 HA -1.24 0.09 0.75 -0.75 4.34 3.18 2gq8A1 ALA 65 HB3 -0.53 0.01 0.21 -0.04 1.41 1.06 2gq8A1 LYS 66 H -0.29 0.23 -0.24 -0.55 8.42 7.56 2gq8A1 LYS 66 HA -0.46 -0.01 0.60 -0.75 4.32 3.70 2gq8A1 LYS 66 HB2 -0.11 -0.05 0.09 -0.04 1.87 1.76 2gq8A1 LYS 66 HB3 -0.17 0.27 0.13 -0.04 1.79 1.98 2gq8A1 LYS 66 HG2 -0.22 -0.04 -0.24 -0.04 1.46 0.92 2gq8A1 LYS 66 HG3 -0.13 -0.08 0.08 -0.04 1.46 1.29 2gq8A1 LYS 66 HD2 0.00 -0.04 0.05 -0.04 1.69 1.66 2gq8A1 LYS 66 HD3 -0.07 0.27 0.12 -0.04 1.68 1.95 2gq8A1 LYS 66 HE2 -0.15 -0.03 -0.07 -0.04 2.99 2.70 2gq8A1 LYS 66 HE3 -0.03 -0.07 0.12 -0.04 2.99 2.97 2gq8A1 GLY 67 H -0.60 0.01 0.20 -0.55 8.43 7.50 2gq8A1 GLY 67 HA2 -0.46 0.17 0.99 -0.51 4.01 4.20 2gq8A1 GLY 67 HA3 -0.66 0.19 0.37 -0.51 4.01 3.39 2gq8A1 TYR 68 H -0.26 0.04 0.19 -0.55 8.29 7.70 2gq8A1 TYR 68 HA -0.69 0.30 1.03 -0.75 4.56 4.45 2gq8A1 TYR 68 HB2 -0.30 -0.05 0.01 -0.04 3.06 2.67 2gq8A1 TYR 68 HB3 -1.56 0.06 0.06 -0.04 2.98 1.49 2gq8A1 TYR 68 HD2 -0.81 -0.11 0.01 -0.04 7.15 6.21 2gq8A1 TYR 68 HE2 0.06 0.05 0.01 -0.04 6.85 6.93 2gq8A1 ALA 69 H -0.57 0.40 0.14 -0.55 8.40 7.82 2gq8A1 ALA 69 HA -0.42 0.01 0.42 -0.75 4.34 3.59 2gq8A1 ALA 69 HB3 -1.26 -0.02 -0.08 -0.04 1.41 0.01 2gq8A1 TRP 70 H -0.18 0.09 0.17 -0.55 7.97 7.50 2gq8A1 TRP 70 HA 0.07 0.02 0.27 -0.75 4.62 4.22 2gq8A1 TRP 70 HB2 0.16 0.19 -0.11 -0.04 3.23 3.43 2gq8A1 TRP 70 HB3 0.08 0.10 -0.04 -0.04 3.23 3.33 2gq8A1 TRP 70 HD1 0.05 -0.01 -0.01 -0.04 7.22 7.21 2gq8A1 TRP 70 HE1 0.04 -0.04 -0.01 -0.04 10.20 10.14 2gq8A1 TRP 70 HE3 0.16 0.17 -0.10 -0.04 7.59 7.77 2gq8A1 TRP 70 HZ2 0.03 -0.01 0.02 -0.04 7.44 7.43 2gq8A1 TRP 70 HZ3 -0.07 0.09 -0.21 -0.04 7.13 6.90 2gq8A1 TRP 70 HH2 -0.01 -0.01 -0.45 -0.04 7.19 6.68 2gq8A1 THR 71 H 0.16 0.22 -0.21 -0.55 8.28 7.90 2gq8A1 THR 71 HA 0.30 0.00 0.74 -0.75 4.39 4.68 2gq8A1 THR 71 HB 0.44 0.17 0.10 -0.04 4.32 4.98 2gq8A1 THR 71 HG23 0.35 -0.00 -0.07 -0.04 1.22 1.45 2gq8A1 PRO 72 HA 0.06 0.17 0.48 -0.51 4.44 4.63 2gq8A1 PRO 72 HB2 -0.13 0.13 0.01 -0.04 2.28 2.25 2gq8A1 PRO 72 HB3 -0.18 -0.09 -0.04 -0.04 2.02 1.67 2gq8A1 PRO 72 HG2 0.59 0.14 0.12 -0.04 2.03 2.84 2gq8A1 PRO 72 HG3 0.32 0.01 0.06 -0.04 2.03 2.37 2gq8A1 PRO 72 HD2 0.34 0.10 0.29 -0.04 3.68 4.37 2gq8A1 PRO 72 HD3 0.21 0.02 0.23 -0.04 3.65 4.07 2gq8A1 GLY 73 H 0.03 0.58 0.40 -0.55 8.43 8.89 2gq8A1 GLY 73 HA2 0.24 0.11 0.80 -0.51 4.01 4.65 2gq8A1 GLY 73 HA3 -0.03 -0.06 0.40 -0.51 4.01 3.81 2gq8A1 ILE 74 H 0.24 0.46 0.12 -0.55 8.25 8.52 2gq8A1 ILE 74 HA 0.26 0.13 0.61 -0.75 4.18 4.43 2gq8A1 ILE 74 HB 0.26 0.03 -0.29 -0.04 1.89 1.85 2gq8A1 ILE 74 HG12 0.08 0.00 0.07 -0.04 1.49 1.61 2gq8A1 ILE 74 HG13 0.25 0.00 -0.03 -0.04 1.21 1.39 2gq8A1 ILE 74 HG23 0.11 0.04 -0.15 -0.04 0.93 0.88 2gq8A1 ILE 74 HD13 -0.27 -0.00 -0.07 -0.04 0.88 0.49 2gq8A1 TYR 75 H -0.36 -0.04 0.02 -0.55 8.29 7.37 2gq8A1 TYR 75 HA 0.05 0.32 1.00 -0.75 4.56 5.17 2gq8A1 TYR 75 HB2 0.02 0.01 0.08 -0.04 3.06 3.12 2gq8A1 TYR 75 HB3 0.02 0.21 -0.16 -0.04 2.98 3.01 2gq8A1 TYR 75 HD2 0.02 0.09 -0.25 -0.04 7.15 6.98 2gq8A1 TYR 75 HE2 0.01 0.04 -0.13 -0.04 6.85 6.72 2gq8A1 THR 76 H -0.31 -0.02 0.06 -0.55 8.28 7.45 2gq8A1 THR 76 HA 0.04 0.34 0.95 -0.75 4.39 4.97 2gq8A1 THR 76 HB -0.02 0.05 0.15 -0.04 4.32 4.45 2gq8A1 THR 76 HG23 -0.17 0.02 -0.03 -0.04 1.22 1.00 2gq8A1 PRO 77 HA 0.03 0.16 0.42 -0.51 4.44 4.54 2gq8A1 PRO 77 HB2 0.01 -0.01 0.07 -0.04 2.28 2.31 2gq8A1 PRO 77 HB3 0.02 0.10 0.08 -0.04 2.02 2.17 2gq8A1 PRO 77 HG2 0.02 0.06 0.09 -0.04 2.03 2.16 2gq8A1 PRO 77 HG3 0.03 0.11 0.07 -0.04 2.03 2.20 2gq8A1 PRO 77 HD2 0.02 0.06 0.23 -0.04 3.68 3.95 2gq8A1 PRO 77 HD3 0.04 0.22 0.24 -0.04 3.65 4.12 2gq8A1 GLU 78 H -0.01 0.13 -0.12 -0.55 8.60 8.05 2gq8A1 GLU 78 HA -0.01 0.14 0.45 -0.75 4.29 4.11 2gq8A1 GLU 78 HB2 -0.03 0.06 0.02 -0.04 2.09 2.09 2gq8A1 GLU 78 HB3 -0.02 0.03 0.07 -0.04 1.99 2.04 2gq8A1 GLU 78 HG2 -0.03 -0.09 0.03 -0.04 2.34 2.20 2gq8A1 GLU 78 HG3 -0.06 0.05 -0.12 -0.04 2.34 2.17 2gq8A1 GLN 79 H -0.06 0.04 -0.35 -0.55 8.47 7.55 2gq8A1 GLN 79 HA -0.10 0.00 0.48 -0.75 4.36 3.99 2gq8A1 GLN 79 HB2 -0.10 -0.08 0.04 -0.04 2.15 1.97 2gq8A1 GLN 79 HB3 0.01 0.35 -0.11 -0.04 2.02 2.23 2gq8A1 GLN 79 HG2 -0.14 0.22 0.08 -0.04 2.40 2.52 2gq8A1 GLN 79 HG3 -0.16 -0.07 -0.01 -0.04 2.39 2.11 2gq8A1 GLN 79 HE21 -0.58 -0.10 0.03 -0.04 6.97 6.28 2gq8A1 GLN 79 HE22 -0.18 0.58 0.18 -0.04 7.69 8.22 2gq8A1 ILE 80 H 0.05 0.43 -0.23 -0.55 8.25 7.96 2gq8A1 ILE 80 HA 0.27 0.08 0.42 -0.75 4.18 4.20 2gq8A1 ILE 80 HB 0.07 0.08 0.10 -0.04 1.89 2.09 2gq8A1 ILE 80 HG12 0.13 0.06 -0.09 -0.04 1.49 1.55 2gq8A1 ILE 80 HG13 0.09 0.02 -0.15 -0.04 1.21 1.13 2gq8A1 ILE 80 HG23 0.10 0.03 -0.19 -0.04 0.93 0.82 2gq8A1 ILE 80 HD13 0.07 -0.01 -0.14 -0.04 0.88 0.76 2gq8A1 ALA 81 H 0.03 0.41 -0.19 -0.55 8.40 8.11 2gq8A1 ALA 81 HA 0.03 0.09 0.42 -0.75 4.34 4.12 2gq8A1 ALA 81 HB3 -0.00 0.01 0.10 -0.04 1.41 1.48 2gq8A1 GLY 82 H -0.04 0.51 -0.17 -0.55 8.43 8.19 2gq8A1 GLY 82 HA2 -0.12 -0.00 0.45 -0.51 4.01 3.82 2gq8A1 GLY 82 HA3 -0.18 0.10 0.35 -0.51 4.01 3.76 2gq8A1 TRP 83 H 0.11 0.58 -0.09 -0.55 7.97 8.02 2gq8A1 TRP 83 HA -0.00 -0.08 0.46 -0.75 4.62 4.24 2gq8A1 TRP 83 HB2 0.10 0.16 0.21 -0.04 3.23 3.67 2gq8A1 TRP 83 HB3 0.06 0.02 0.03 -0.04 3.23 3.30 2gq8A1 TRP 83 HD1 0.12 0.03 -0.00 -0.04 7.22 7.32 2gq8A1 TRP 83 HE1 0.10 0.08 -0.22 -0.04 10.20 10.12 2gq8A1 TRP 83 HE3 0.03 -0.02 0.06 -0.04 7.59 7.62 2gq8A1 TRP 83 HZ2 0.15 0.08 -0.08 -0.04 7.44 7.55 2gq8A1 TRP 83 HZ3 0.00 0.01 -0.04 -0.04 7.13 7.07 2gq8A1 TRP 83 HH2 0.22 -0.06 -0.01 -0.04 7.19 7.31 2gq8A1 ARG 84 H 0.11 0.33 -0.37 -0.55 8.46 7.97 2gq8A1 ARG 84 HA -0.03 0.37 0.53 -0.75 4.34 4.45 2gq8A1 ARG 84 HB2 0.04 0.06 0.15 -0.04 1.90 2.11 2gq8A1 ARG 84 HB3 0.02 0.10 0.17 -0.04 1.80 2.05 2gq8A1 ARG 84 HG2 0.01 -0.06 -0.01 -0.04 1.67 1.57 2gq8A1 ARG 84 HG3 0.00 -0.09 -0.15 -0.04 1.67 1.39 2gq8A1 ARG 84 HD2 -0.02 0.02 0.06 -0.04 3.22 3.24 2gq8A1 ARG 84 HD3 0.01 0.09 -0.15 -0.04 3.22 3.13 2gq8A1 ILE 85 H -0.02 0.40 -0.26 -0.55 8.25 7.83 2gq8A1 ILE 85 HA -0.02 0.02 0.41 -0.75 4.18 3.84 2gq8A1 ILE 85 HB -0.09 0.11 0.04 -0.04 1.89 1.91 2gq8A1 ILE 85 HG12 -0.08 0.28 0.15 -0.04 1.49 1.81 2gq8A1 ILE 85 HG13 -0.19 -0.12 0.02 -0.04 1.21 0.88 2gq8A1 ILE 85 HG23 -0.08 -0.04 -0.09 -0.04 0.93 0.68 2gq8A1 ILE 85 HD13 -0.05 -0.02 -0.02 -0.04 0.88 0.76 2gq8A1 VAL 86 H 0.03 0.32 -0.27 -0.55 8.24 7.77 2gq8A1 VAL 86 HA 0.07 -0.05 0.44 -0.75 4.13 3.84 2gq8A1 VAL 86 HB 0.32 0.22 0.18 -0.04 2.12 2.79 2gq8A1 VAL 86 HG13 0.14 -0.01 -0.17 -0.04 0.97 0.89 2gq8A1 VAL 86 HG23 0.13 -0.01 -0.09 -0.04 0.95 0.93 2gq8A1 THR 87 H -0.15 0.72 0.04 -0.55 8.28 8.34 2gq8A1 THR 87 HA -0.40 -0.03 0.34 -0.75 4.39 3.55 2gq8A1 THR 87 HB -0.43 0.07 -0.04 -0.04 4.32 3.89 2gq8A1 THR 87 HG23 -0.99 -0.00 -0.17 -0.04 1.22 0.01 2gq8A1 GLU 88 H -0.06 0.61 -0.23 -0.55 8.60 8.38 2gq8A1 GLU 88 HA 0.06 0.04 0.47 -0.75 4.29 4.10 2gq8A1 GLU 88 HB2 -0.00 0.09 0.17 -0.04 2.09 2.30 2gq8A1 GLU 88 HB3 0.02 -0.09 0.01 -0.04 1.99 1.89 2gq8A1 GLU 88 HG2 0.01 0.18 0.08 -0.04 2.34 2.57 2gq8A1 GLU 88 HG3 0.01 -0.10 0.00 -0.04 2.34 2.21 2gq8A1 ALA 89 H -0.02 0.48 -0.18 -0.55 8.40 8.14 2gq8A1 ALA 89 HA 0.02 -0.01 0.43 -0.75 4.34 4.03 2gq8A1 ALA 89 HB3 0.04 0.01 0.11 -0.04 1.41 1.53 2gq8A1 VAL 90 H -0.08 0.58 -0.08 -0.55 8.24 8.11 2gq8A1 VAL 90 HA -0.01 0.04 0.37 -0.75 4.13 3.78 2gq8A1 VAL 90 HB -0.29 0.05 0.07 -0.04 2.12 1.91 2gq8A1 VAL 90 HG13 -0.08 0.02 -0.30 -0.04 0.97 0.57 2gq8A1 VAL 90 HG23 -0.03 0.02 -0.17 -0.04 0.95 0.73 2gq8A1 HIS 91 H -0.17 0.69 -0.05 -0.55 8.41 8.33 2gq8A1 HIS 91 HA 0.00 0.02 0.56 -0.75 4.63 4.45 2gq8A1 HIS 91 HB2 -0.02 0.09 0.19 -0.04 3.26 3.49 2gq8A1 HIS 91 HB3 -0.00 -0.09 0.09 -0.04 3.20 3.16 2gq8A1 HIS 91 HD2 0.01 0.27 0.18 -0.04 6.97 7.38 2gq8A1 HIS 91 HE1 -0.07 0.64 0.18 -0.04 7.75 8.45 2gq8A1 ALA 92 H 0.06 0.44 -0.36 -0.55 8.40 8.00 2gq8A1 ALA 92 HA 0.05 -0.02 0.45 -0.75 4.34 4.07 2gq8A1 ALA 92 HB3 0.04 0.02 0.12 -0.04 1.41 1.55 2gq8A1 LYS 93 H 0.05 0.34 -0.44 -0.55 8.42 7.81 2gq8A1 LYS 93 HA 0.04 0.02 0.65 -0.75 4.32 4.28 2gq8A1 LYS 93 HB2 0.03 0.14 0.12 -0.04 1.87 2.13 2gq8A1 LYS 93 HB3 0.04 -0.03 0.08 -0.04 1.79 1.83 2gq8A1 LYS 93 HG2 0.04 0.05 0.01 -0.04 1.46 1.51 2gq8A1 LYS 93 HG3 0.04 0.08 0.06 -0.04 1.46 1.60 2gq8A1 LYS 93 HD2 0.04 -0.01 0.03 -0.04 1.69 1.71 2gq8A1 LYS 93 HD3 0.03 0.03 -0.04 -0.04 1.68 1.66 2gq8A1 LYS 93 HE2 0.03 -0.04 -0.05 -0.04 2.99 2.89 2gq8A1 LYS 93 HE3 0.04 0.01 -0.05 -0.04 2.99 2.94 2gq8A1 GLY 94 H 0.07 0.23 -0.36 -0.55 8.43 7.82 2gq8A1 GLY 94 HA2 0.07 -0.03 0.39 -0.51 4.01 3.92 2gq8A1 GLY 94 HA3 0.05 0.01 0.54 -0.51 4.01 4.11 2gq8A1 CYS 95 H 0.13 0.23 0.17 -0.55 8.50 8.48 2gq8A1 CYS 95 HA 0.05 0.11 0.55 -0.75 4.58 4.54 2gq8A1 CYS 95 HB2 0.04 0.42 -0.16 -0.04 2.97 3.23 2gq8A1 CYS 95 HB3 0.02 -0.14 -0.17 -0.04 2.97 2.64 2gq8A1 ALA 96 H 0.05 0.31 0.17 -0.55 8.40 8.39 2gq8A1 ALA 96 HA 0.22 0.12 0.78 -0.75 4.34 4.70 2gq8A1 ALA 96 HB3 0.12 0.02 0.08 -0.04 1.41 1.58 2gq8A1 ILE 97 H 0.25 0.20 0.20 -0.55 8.25 8.35 2gq8A1 ILE 97 HA 0.11 0.36 0.92 -0.75 4.18 4.81 2gq8A1 ILE 97 HB -0.08 0.08 -0.22 -0.04 1.89 1.63 2gq8A1 ILE 97 HG12 0.24 -0.08 -0.35 -0.04 1.49 1.26 2gq8A1 ILE 97 HG13 -0.01 0.10 -0.14 -0.04 1.21 1.11 2gq8A1 ILE 97 HG23 -0.23 -0.02 0.02 -0.04 0.93 0.66 2gq8A1 ILE 97 HD13 -0.30 -0.02 -0.18 -0.04 0.88 0.34 2gq8A1 PHE 98 H 0.24 0.64 0.29 -0.55 8.34 8.96 2gq8A1 PHE 98 HA 0.01 0.25 0.87 -0.75 4.62 5.00 2gq8A1 PHE 98 HB2 0.04 0.01 -0.09 -0.04 3.15 3.07 2gq8A1 PHE 98 HB3 -0.05 -0.08 -0.43 -0.04 3.06 2.46 2gq8A1 PHE 98 HD2 0.01 -0.07 -0.67 -0.04 7.28 6.51 2gq8A1 PHE 98 HE2 -0.02 0.00 -0.35 -0.04 7.38 6.97 2gq8A1 PHE 98 HZ 0.06 0.14 -0.16 -0.04 7.32 7.32 2gq8A1 ALA 99 H -0.55 0.60 0.37 -0.55 8.40 8.28 2gq8A1 ALA 99 HA -0.86 0.07 0.76 -0.75 4.34 3.55 2gq8A1 ALA 99 HB3 -1.79 0.03 0.06 -0.04 1.41 -0.33 2gq8A1 GLN 100 H -0.29 0.28 0.02 -0.55 8.47 7.93 2gq8A1 GLN 100 HA -0.10 0.19 0.81 -0.75 4.36 4.50 2gq8A1 GLN 100 HB2 -0.14 0.08 -0.07 -0.04 2.15 1.97 2gq8A1 GLN 100 HB3 -0.17 -0.00 -0.14 -0.04 2.02 1.66 2gq8A1 GLN 100 HG2 -0.09 -0.02 -0.38 -0.04 2.40 1.87 2gq8A1 GLN 100 HG3 -0.14 0.03 -0.20 -0.04 2.39 2.05 2gq8A1 GLN 100 HE21 -0.89 -0.03 -0.11 -0.04 6.97 5.90 2gq8A1 GLN 100 HE22 -0.44 0.01 -0.18 -0.04 7.69 7.03 2gq8A1 LEU 101 H -0.03 0.43 0.26 -0.55 8.37 8.48 2gq8A1 LEU 101 HA 0.09 0.17 0.54 -0.75 4.35 4.40 2gq8A1 LEU 101 HB2 0.17 -0.09 0.14 -0.04 1.64 1.82 2gq8A1 LEU 101 HB3 0.25 -0.02 0.00 -0.04 1.64 1.83 2gq8A1 LEU 101 HG -0.08 0.06 0.01 -0.04 1.64 1.60 2gq8A1 LEU 101 HD13 0.03 0.00 -0.07 -0.04 0.93 0.85 2gq8A1 LEU 101 HD23 -0.09 0.01 -0.18 -0.04 0.89 0.58 2gq8A1 TRP 102 H 0.31 0.61 0.29 -0.55 7.97 8.63 2gq8A1 TRP 102 HA 0.16 0.15 1.01 -0.75 4.62 5.19 2gq8A1 TRP 102 HB2 0.08 0.02 -0.16 -0.04 3.23 3.13 2gq8A1 TRP 102 HB3 0.03 -0.05 -0.34 -0.04 3.23 2.84 2gq8A1 TRP 102 HD1 -0.11 -0.02 -0.02 -0.04 7.22 7.02 2gq8A1 TRP 102 HE1 -1.74 0.04 -0.09 -0.04 10.20 8.36 2gq8A1 TRP 102 HE3 0.07 0.05 -0.43 -0.04 7.59 7.23 2gq8A1 TRP 102 HZ2 -0.43 0.07 -0.03 -0.04 7.44 7.00 2gq8A1 TRP 102 HZ3 0.08 0.04 -0.01 -0.04 7.13 7.19 2gq8A1 TRP 102 HH2 -0.14 0.02 -0.01 -0.04 7.19 7.02 2gq8A1 HIS 103 H 0.47 0.33 0.17 -0.55 8.41 8.83 2gq8A1 HIS 103 HA -0.17 0.17 0.80 -0.75 4.63 4.68 2gq8A1 HIS 103 HB2 -0.16 0.06 -0.01 -0.04 3.26 3.10 2gq8A1 HIS 103 HB3 0.18 -0.07 0.17 -0.04 3.20 3.44 2gq8A1 HIS 103 HD2 -0.19 0.02 -0.03 -0.04 6.97 6.73 2gq8A1 HIS 103 HE1 -0.06 0.16 0.05 -0.04 7.75 7.85 2gq8A1 VAL 104 H -0.45 0.61 0.13 -0.55 8.24 7.98 2gq8A1 VAL 104 HA 0.07 0.01 0.61 -0.75 4.13 4.08 2gq8A1 VAL 104 HB -0.01 0.13 0.05 -0.04 2.12 2.25 2gq8A1 VAL 104 HG13 -1.32 -0.00 0.00 -0.04 0.97 -0.40 2gq8A1 VAL 104 HG23 -0.31 0.07 -0.55 -0.04 0.95 0.13 2gq8A1 GLY 105 H 0.59 0.01 -0.18 -0.55 8.43 8.31 2gq8A1 GLY 105 HA2 0.14 0.08 0.36 -0.51 4.01 4.08 2gq8A1 GLY 105 HA3 0.12 -0.06 0.47 -0.51 4.01 4.03 2gq8A1 ARG 106 H 0.03 0.07 0.22 -0.55 8.46 8.23 2gq8A1 ARG 106 HA -0.03 0.04 0.31 -0.75 4.34 3.90 2gq8A1 ARG 106 HB2 -0.03 0.06 0.12 -0.04 1.90 2.01 2gq8A1 ARG 106 HB3 -0.03 -0.05 0.01 -0.04 1.80 1.69 2gq8A1 ARG 106 HG2 0.00 -0.04 0.08 -0.04 1.67 1.67 2gq8A1 ARG 106 HG3 -0.01 0.02 -0.22 -0.04 1.67 1.41 2gq8A1 ARG 106 HD2 -0.03 0.04 0.05 -0.04 3.22 3.24 2gq8A1 ARG 106 HD3 -0.04 -0.06 0.04 -0.04 3.22 3.12 2gq8A1 VAL 107 H 0.06 0.42 -0.39 -0.55 8.24 7.77 2gq8A1 VAL 107 HA -0.02 0.13 0.70 -0.75 4.13 4.19 2gq8A1 VAL 107 HB 0.30 -0.07 0.18 -0.04 2.12 2.50 2gq8A1 VAL 107 HG13 0.11 -0.02 -0.05 -0.04 0.97 0.97 2gq8A1 VAL 107 HG23 -0.04 0.01 0.02 -0.04 0.95 0.90 2gq8A1 THR 108 H -0.10 0.55 0.06 -0.55 8.28 8.24 2gq8A1 THR 108 HA -0.32 0.15 0.48 -0.75 4.39 3.94 2gq8A1 THR 108 HB -0.26 0.06 -0.27 -0.04 4.32 3.81 2gq8A1 THR 108 HG23 -0.13 0.01 -0.35 -0.04 1.22 0.71 2gq8A1 HIS 109 H -0.13 0.24 0.13 -0.55 8.41 8.10 2gq8A1 HIS 109 HA -0.11 0.23 0.81 -0.75 4.63 4.81 2gq8A1 HIS 109 HB2 -0.14 0.14 -0.19 -0.04 3.26 3.03 2gq8A1 HIS 109 HB3 -0.17 -0.10 -0.05 -0.04 3.20 2.84 2gq8A1 HIS 109 HD2 -0.06 0.33 -0.02 -0.04 6.97 7.18 2gq8A1 HIS 109 HE1 -0.05 0.02 -0.02 -0.04 7.75 7.67 2gq8A1 PRO 110 HA -0.13 0.28 0.30 -0.51 4.44 4.38 2gq8A1 PRO 110 HB2 -0.19 -0.05 -0.01 -0.04 2.28 1.99 2gq8A1 PRO 110 HB3 -0.13 0.18 -0.17 -0.04 2.02 1.86 2gq8A1 PRO 110 HG2 -0.29 0.02 0.03 -0.04 2.03 1.75 2gq8A1 PRO 110 HG3 -0.21 0.18 0.01 -0.04 2.03 1.97 2gq8A1 PRO 110 HD2 -1.50 0.09 0.17 -0.04 3.68 2.39 2gq8A1 PRO 110 HD3 -0.46 0.16 0.18 -0.04 3.65 3.50 2gq8A1 ASP 111 H 0.66 0.14 -0.38 -0.55 8.40 8.27 2gq8A1 ASP 111 HA 0.04 0.05 0.35 -0.75 4.63 4.32 2gq8A1 ASP 111 HB2 0.02 -0.00 -0.05 -0.04 2.71 2.64 2gq8A1 ASP 111 HB3 -0.05 0.01 0.01 -0.04 2.70 2.63 2gq8A1 ASN 112 H -0.03 0.58 -0.37 -0.55 8.53 8.16 2gq8A1 ASN 112 HA -0.12 0.10 0.78 -0.75 4.76 4.77 2gq8A1 ASN 112 HB2 -0.19 0.09 -0.06 -0.04 2.88 2.68 2gq8A1 ASN 112 HB3 -0.22 -0.03 -0.22 -0.04 2.79 2.27 2gq8A1 ASN 112 HD21 -0.39 0.27 -0.08 -0.04 7.03 6.79 2gq8A1 ASN 112 HD22 -0.36 0.16 -0.21 -0.04 7.74 7.29 2gq8A1 ILE 113 H -0.08 0.33 -0.27 -0.55 8.25 7.68 2gq8A1 ILE 113 HA -0.10 0.33 0.95 -0.75 4.18 4.60 2gq8A1 ILE 113 HB -0.11 -0.11 0.09 -0.04 1.89 1.72 2gq8A1 ILE 113 HG12 -0.11 0.04 -0.16 -0.04 1.49 1.21 2gq8A1 ILE 113 HG13 -0.09 -0.05 -0.07 -0.04 1.21 0.96 2gq8A1 ILE 113 HG23 -0.17 0.06 -0.14 -0.04 0.93 0.64 2gq8A1 ILE 113 HD13 -0.10 0.02 -0.38 -0.04 0.88 0.38 2gq8A1 ASP 114 H -0.04 0.19 -0.23 -0.55 8.40 7.77 2gq8A1 ASP 114 HA -0.02 0.03 0.28 -0.75 4.63 4.16 2gq8A1 ASP 114 HB2 -0.04 0.13 -0.11 -0.04 2.71 2.64 2gq8A1 ASP 114 HB3 -0.02 -0.00 0.17 -0.04 2.70 2.80 2gq8A1 GLY 115 H -0.04 0.50 -0.13 -0.55 8.43 8.22 2gq8A1 GLY 115 HA2 -0.04 -0.09 0.16 -0.51 4.01 3.53 2gq8A1 GLY 115 HA3 -0.03 0.02 0.34 -0.51 4.01 3.83 2gq8A1 GLN 116 H -0.06 0.40 -0.58 -0.55 8.47 7.69 2gq8A1 GLN 116 HA -0.05 0.03 0.48 -0.75 4.36 4.06 2gq8A1 GLN 116 HB2 -0.07 0.13 0.02 -0.04 2.15 2.20 2gq8A1 GLN 116 HB3 -0.06 0.03 0.01 -0.04 2.02 1.96 2gq8A1 GLN 116 HG2 -0.05 0.12 -0.02 -0.04 2.40 2.41 2gq8A1 GLN 116 HG3 -0.05 -0.09 -0.01 -0.04 2.39 2.20 2gq8A1 GLN 116 HE21 -0.04 -0.04 0.02 -0.04 6.97 6.86 2gq8A1 GLN 116 HE22 -0.04 0.05 0.02 -0.04 7.69 7.68 2gq8A1 GLN 117 H -0.06 0.06 0.13 -0.55 8.47 8.05 2gq8A1 GLN 117 HA -0.09 0.13 0.60 -0.75 4.36 4.24 2gq8A1 GLN 117 HB2 -0.06 -0.03 0.08 -0.04 2.15 2.10 2gq8A1 GLN 117 HB3 -0.05 -0.10 0.11 -0.04 2.02 1.93 2gq8A1 GLN 117 HG2 -0.06 0.15 -0.17 -0.04 2.40 2.28 2gq8A1 GLN 117 HG3 -0.07 0.16 0.07 -0.04 2.39 2.51 2gq8A1 GLN 117 HE21 -0.05 -0.12 -0.16 -0.04 6.97 6.60 2gq8A1 GLN 117 HE22 -0.05 0.56 -0.14 -0.04 7.69 8.01 2gq8A1 PRO 118 HA -0.05 0.07 0.30 -0.51 4.44 4.24 2gq8A1 PRO 118 HB2 -0.06 -0.02 -0.19 -0.04 2.28 1.97 2gq8A1 PRO 118 HB3 -0.06 0.19 -0.06 -0.04 2.02 2.05 2gq8A1 PRO 118 HG2 -0.10 0.09 -0.14 -0.04 2.03 1.85 2gq8A1 PRO 118 HG3 -0.11 -0.02 -0.26 -0.04 2.03 1.60 2gq8A1 PRO 118 HD2 -0.09 0.23 -0.06 -0.04 3.68 3.72 2gq8A1 PRO 118 HD3 -0.12 0.12 0.13 -0.04 3.65 3.74 2gq8A1 ILE 119 H 0.01 0.20 0.06 -0.55 8.25 7.97 2gq8A1 ILE 119 HA -0.04 0.31 0.98 -0.75 4.18 4.67 2gq8A1 ILE 119 HB -0.05 -0.03 0.01 -0.04 1.89 1.78 2gq8A1 ILE 119 HG12 0.10 0.06 0.04 -0.04 1.49 1.65 2gq8A1 ILE 119 HG13 -0.02 -0.06 -0.20 -0.04 1.21 0.89 2gq8A1 ILE 119 HG23 -0.02 0.01 -0.14 -0.04 0.93 0.74 2gq8A1 ILE 119 HD13 -0.05 -0.03 -0.09 -0.04 0.88 0.68 2gq8A1 SER 120 H -0.08 0.55 0.24 -0.55 8.46 8.63 2gq8A1 SER 120 HA -0.05 0.03 0.55 -0.75 4.49 4.26 2gq8A1 SER 120 HB2 -0.05 0.04 -0.19 -0.04 3.95 3.70 2gq8A1 SER 120 HB3 -0.10 0.35 -0.04 -0.04 3.93 4.10 2gq8A1 SER 121 H -0.38 0.24 0.13 -0.55 8.46 7.91 2gq8A1 SER 121 HA -1.03 0.01 0.52 -0.75 4.49 3.23 2gq8A1 SER 121 HB2 -0.87 -0.08 0.09 -0.04 3.95 3.06 2gq8A1 SER 121 HB3 -1.81 -0.01 -0.06 -0.04 3.93 2.01 2gq8A1 SER 122 H -0.22 0.18 -0.03 -0.55 8.46 7.84 2gq8A1 SER 122 HA -0.13 0.17 0.75 -0.75 4.49 4.52 2gq8A1 SER 122 HB2 -0.11 0.14 0.00 -0.04 3.95 3.94 2gq8A1 SER 122 HB3 -0.09 -0.05 0.08 -0.04 3.93 3.83 2gq8A1 THR 123 H -0.07 0.14 0.01 -0.55 8.28 7.81 2gq8A1 THR 123 HA -0.06 0.36 0.45 -0.75 4.39 4.39 2gq8A1 THR 123 HB -0.04 0.10 0.19 -0.04 4.32 4.52 2gq8A1 THR 123 HG23 -0.05 -0.03 0.00 -0.04 1.22 1.10 2gq8A1 LEU 124 H -0.07 0.03 -0.63 -0.55 8.37 7.16 2gq8A1 LEU 124 HA -0.04 0.08 0.69 -0.75 4.35 4.33 2gq8A1 LEU 124 HB2 -0.05 0.02 0.05 -0.04 1.64 1.61 2gq8A1 LEU 124 HB3 -0.03 0.13 -0.04 -0.04 1.64 1.66 2gq8A1 LEU 124 HG -0.05 -0.21 -0.12 -0.04 1.64 1.22 2gq8A1 LEU 124 HD13 -0.04 0.07 -0.14 -0.04 0.93 0.78 2gq8A1 LEU 124 HD23 -0.03 0.02 -0.04 -0.04 0.89 0.80 2gq8A1 LYS 125 H -0.03 0.09 0.15 -0.55 8.42 8.07 2gq8A1 LYS 125 HA -0.03 0.17 0.57 -0.75 4.32 4.27 2gq8A1 LYS 125 HB2 -0.03 -0.03 0.02 -0.04 1.87 1.79 2gq8A1 LYS 125 HB3 -0.02 -0.07 0.04 -0.04 1.79 1.69 2gq8A1 LYS 125 HG2 -0.01 0.09 -0.46 -0.04 1.46 1.04 2gq8A1 LYS 125 HG3 -0.02 0.12 -0.24 -0.04 1.46 1.27 2gq8A1 LYS 125 HD2 -0.02 -0.06 -0.13 -0.04 1.69 1.44 2gq8A1 LYS 125 HD3 -0.01 -0.09 -0.09 -0.04 1.68 1.45 2gq8A1 LYS 125 HE2 -0.01 0.31 -0.09 -0.04 2.99 3.16 2gq8A1 LYS 125 HE3 -0.01 -0.08 -0.02 -0.04 2.99 2.84 2gq8A1 ALA 126 H -0.02 0.21 0.08 -0.55 8.40 8.13 2gq8A1 ALA 126 HA -0.01 0.08 0.50 -0.75 4.34 4.15 2gq8A1 ALA 126 HB3 -0.01 0.04 0.04 -0.04 1.41 1.44 2gq8A1 GLU 127 H -0.00 0.18 0.17 -0.55 8.60 8.40 2gq8A1 ASN 128 H 0.01 0.09 0.16 -0.55 8.53 8.25 2gq8A1 ASN 128 HA 0.01 -0.02 0.33 -0.75 4.76 4.32 2gq8A1 ASN 128 HB2 0.01 0.19 -0.04 -0.04 2.88 3.01 2gq8A1 ASN 128 HB3 0.01 -0.03 0.18 -0.04 2.79 2.91 2gq8A1 ASN 128 HD21 0.01 -0.02 -0.06 -0.04 7.03 6.91 2gq8A1 ASN 128 HD22 0.01 0.07 -0.19 -0.04 7.74 7.59 2gq8A1 VAL 129 H 0.02 0.20 -0.06 -0.55 8.24 7.86 2gq8A1 VAL 129 HA 0.05 0.18 0.91 -0.75 4.13 4.51 2gq8A1 VAL 129 HB 0.02 0.03 -0.08 -0.04 2.12 2.05 2gq8A1 VAL 129 HG13 0.06 -0.01 -0.13 -0.04 0.97 0.85 2gq8A1 VAL 129 HG23 0.03 0.13 -0.44 -0.04 0.95 0.62 2gq8A1 LYS 130 H 0.09 0.23 0.16 -0.55 8.42 8.35 2gq8A1 LYS 130 HA 0.06 0.21 1.02 -0.75 4.32 4.86 2gq8A1 LYS 130 HB2 0.17 -0.06 -0.03 -0.04 1.87 1.91 2gq8A1 LYS 130 HB3 0.21 0.09 -0.01 -0.04 1.79 2.03 2gq8A1 LYS 130 HG2 0.07 0.01 -0.31 -0.04 1.46 1.19 2gq8A1 LYS 130 HG3 0.05 -0.08 -0.45 -0.04 1.46 0.94 2gq8A1 LYS 130 HD2 0.03 -0.01 -0.14 -0.04 1.69 1.52 2gq8A1 LYS 130 HD3 0.10 0.01 -0.24 -0.04 1.68 1.51 2gq8A1 LYS 130 HE2 0.03 -0.02 -0.14 -0.04 2.99 2.82 2gq8A1 LYS 130 HE3 0.01 -0.01 -0.14 -0.04 2.99 2.81 2gq8A1 VAL 131 H 0.01 0.56 0.25 -0.55 8.24 8.51 2gq8A1 VAL 131 HA 0.05 0.15 0.71 -0.75 4.13 4.28 2gq8A1 VAL 131 HB -0.86 0.09 0.20 -0.04 2.12 1.50 2gq8A1 VAL 131 HG13 -0.36 0.01 -0.34 -0.04 0.97 0.23 2gq8A1 VAL 131 HG23 -0.22 -0.04 -0.26 -0.04 0.95 0.39 2gq8A1 PHE 132 H -0.69 0.21 0.22 -0.55 8.34 7.52 2gq8A1 PHE 132 HA -0.39 0.34 0.89 -0.75 4.62 4.70 2gq8A1 PHE 132 HB2 -0.65 -0.06 -0.20 -0.04 3.15 2.20 2gq8A1 PHE 132 HB3 -1.47 0.05 -0.32 -0.04 3.06 1.28 2gq8A1 PHE 132 HD2 -0.57 0.00 -0.25 -0.04 7.28 6.42 2gq8A1 PHE 132 HE2 -0.72 0.14 -0.09 -0.04 7.38 6.66 2gq8A1 PHE 132 HZ -0.24 0.03 -0.14 -0.04 7.32 6.92 2gq8A1 VAL 133 H -0.17 0.71 0.28 -0.55 8.24 8.51 2gq8A1 VAL 133 HA -0.33 0.11 0.91 -0.75 4.13 4.06 2gq8A1 VAL 133 HB -0.21 -0.01 0.02 -0.04 2.12 1.88 2gq8A1 VAL 133 HG13 -0.32 -0.01 -0.27 -0.04 0.97 0.33 2gq8A1 VAL 133 HG23 -0.21 0.06 -0.20 -0.04 0.95 0.56 2gq8A1 ASP 134 H -0.26 0.17 0.13 -0.55 8.40 7.90 2gq8A1 ASP 134 HA -0.02 0.16 0.67 -0.75 4.63 4.69 2gq8A1 ASP 134 HB2 -0.22 -0.03 0.11 -0.04 2.71 2.54 2gq8A1 ASP 134 HB3 0.00 0.03 0.20 -0.04 2.70 2.89 2gq8A1 ASN 135 H 0.11 0.26 0.13 -0.55 8.53 8.48 2gq8A1 ASN 135 HA 0.02 0.24 0.95 -0.75 4.76 5.21 2gq8A1 ASN 135 HB2 0.02 0.02 0.15 -0.04 2.88 3.02 2gq8A1 ASN 135 HB3 -0.01 0.01 -0.10 -0.04 2.79 2.64 2gq8A1 ASN 135 HD21 0.05 0.06 -0.04 -0.04 7.03 7.07 2gq8A1 ASN 135 HD22 0.02 -0.02 -0.00 -0.04 7.74 7.70 2gq8A1 GLY 136 H 0.11 0.09 -0.13 -0.55 8.43 7.95 2gq8A1 GLY 136 HA2 0.07 0.00 0.29 -0.51 4.01 3.86 2gq8A1 GLY 136 HA3 0.05 0.13 0.50 -0.51 4.01 4.17 2gq8A1 SER 137 H 0.16 0.17 0.03 -0.55 8.46 8.26 2gq8A1 SER 137 HA 0.05 0.12 0.49 -0.75 4.49 4.39 2gq8A1 SER 137 HB2 0.05 0.01 0.10 -0.04 3.95 4.07 2gq8A1 SER 137 HB3 0.06 0.16 -0.36 -0.04 3.93 3.74 2gq8A1 ASP 138 H 0.01 0.19 0.07 -0.55 8.40 8.13 2gq8A1 GLU 139 H 0.18 0.15 -0.72 -0.55 8.60 7.66 2gq8A1 GLU 139 HA 0.13 0.30 0.86 -0.75 4.29 4.83 2gq8A1 PRO 140 HA -0.14 -0.00 0.33 -0.51 4.44 4.13 2gq8A1 PRO 140 HB2 -0.26 0.00 0.02 -0.04 2.28 2.00 2gq8A1 PRO 140 HB3 -1.31 -0.04 -0.07 -0.04 2.02 0.56 2gq8A1 PRO 140 HG2 -0.09 0.13 -0.06 -0.04 2.03 1.97 2gq8A1 PRO 140 HG3 0.07 0.00 -0.15 -0.04 2.03 1.91 2gq8A1 PRO 140 HD2 0.11 0.11 0.16 -0.04 3.68 4.02 2gq8A1 PRO 140 HD3 0.21 0.22 0.11 -0.04 3.65 4.15 2gq8A1 GLY 141 H -0.12 0.40 0.26 -0.55 8.43 8.43 2gq8A1 GLY 141 HA2 0.07 0.17 0.90 -0.51 4.01 4.64 2gq8A1 GLY 141 HA3 -0.01 0.00 0.36 -0.51 4.01 3.86 2gq8A1 PHE 142 H 0.38 0.19 0.08 -0.55 8.34 8.43 2gq8A1 PHE 142 HA 0.07 0.23 0.74 -0.75 4.62 4.91 2gq8A1 PHE 142 HB2 0.02 -0.04 0.08 -0.04 3.15 3.18 2gq8A1 PHE 142 HB3 0.04 0.03 -0.05 -0.04 3.06 3.04 2gq8A1 PHE 142 HD2 0.06 0.04 -0.13 -0.04 7.28 7.21 2gq8A1 PHE 142 HE2 0.06 0.04 -0.12 -0.04 7.38 7.32 2gq8A1 PHE 142 HZ 0.04 0.02 -0.10 -0.04 7.32 7.24 2gq8A1 VAL 143 H 0.04 0.69 0.38 -0.55 8.24 8.80 2gq8A1 VAL 143 HA 0.03 0.13 0.82 -0.75 4.13 4.35 2gq8A1 VAL 143 HB -0.08 0.04 0.06 -0.04 2.12 2.10 2gq8A1 VAL 143 HG13 -0.18 0.01 -0.27 -0.04 0.97 0.49 2gq8A1 VAL 143 HG23 -0.27 -0.01 -0.22 -0.04 0.95 0.41 2gq8A1 ASP 144 H 0.05 0.09 0.16 -0.55 8.40 8.14 2gq8A1 ASP 144 HA 0.04 0.16 0.69 -0.75 4.63 4.77 2gq8A1 ASP 144 HB2 0.03 -0.08 0.14 -0.04 2.71 2.77 2gq8A1 ASP 144 HB3 0.04 0.01 0.11 -0.04 2.70 2.82 2gq8A1 VAL 145 H 0.02 0.37 0.29 -0.55 8.24 8.36 2gq8A1 VAL 145 HA -0.00 0.09 0.48 -0.75 4.13 3.94 2gq8A1 VAL 145 HB -0.04 0.20 0.30 -0.04 2.12 2.54 2gq8A1 VAL 145 HG13 -0.03 -0.03 -0.10 -0.04 0.97 0.77 2gq8A1 VAL 145 HG23 -0.01 -0.01 0.05 -0.04 0.95 0.94 2gq8A1 ALA 146 H -0.07 0.37 0.33 -0.55 8.40 8.48 2gq8A1 ALA 146 HA -0.06 0.11 0.81 -0.75 4.34 4.45 2gq8A1 ALA 146 HB3 -0.16 -0.01 0.10 -0.04 1.41 1.29 2gq8A1 VAL 147 H -0.06 0.07 0.15 -0.55 8.24 7.85 2gq8A1 VAL 147 HA -0.04 0.07 0.48 -0.75 4.13 3.89 2gq8A1 VAL 147 HB -0.04 -0.07 0.13 -0.04 2.12 2.10 2gq8A1 VAL 147 HG13 -0.04 0.05 -0.09 -0.04 0.97 0.84 2gq8A1 VAL 147 HG23 -0.03 -0.02 0.05 -0.04 0.95 0.90 2gq8A1 PRO 148 HA -0.06 0.22 0.45 -0.51 4.44 4.54 2gq8A1 PRO 148 HB2 -0.06 -0.01 -0.37 -0.04 2.28 1.80 2gq8A1 PRO 148 HB3 -0.05 -0.03 -0.25 -0.04 2.02 1.66 2gq8A1 PRO 148 HG2 -0.06 -0.05 -0.22 -0.04 2.03 1.66 2gq8A1 PRO 148 HG3 -0.05 0.10 -0.11 -0.04 2.03 1.92 2gq8A1 PRO 148 HD2 -0.05 -0.02 -0.34 -0.04 3.68 3.23 2gq8A1 PRO 148 HD3 -0.04 0.23 0.13 -0.04 3.65 3.92 2gq8A1 ARG 149 H -0.05 0.63 0.23 -0.55 8.46 8.72 2gq8A1 ARG 149 HA -0.05 0.09 0.72 -0.75 4.34 4.35 2gq8A1 ARG 149 HB2 -0.04 -0.05 0.04 -0.04 1.90 1.81 2gq8A1 ARG 149 HB3 -0.04 0.02 -0.02 -0.04 1.80 1.72 2gq8A1 ARG 149 HG2 -0.05 0.25 -0.02 -0.04 1.67 1.81 2gq8A1 ARG 149 HG3 -0.05 -0.06 -0.28 -0.04 1.67 1.24 2gq8A1 ARG 149 HD2 -0.04 -0.04 -0.05 -0.04 3.22 3.05 2gq8A1 ARG 149 HD3 -0.04 0.01 -0.04 -0.04 3.22 3.10 2gq8A1 ALA 150 H -0.06 0.08 -0.03 -0.55 8.40 7.85 2gq8A1 ALA 150 HA -0.10 0.20 0.25 -0.75 4.34 3.94 2gq8A1 ALA 150 HB3 -0.07 -0.01 -0.03 -0.04 1.41 1.26 2gq8A1 MET 151 H -0.10 0.61 0.25 -0.55 8.47 8.68 2gq8A1 MET 151 HA -0.06 -0.02 0.45 -0.75 4.52 4.13 2gq8A1 MET 151 HB2 -0.04 0.04 0.10 -0.04 2.15 2.21 2gq8A1 MET 151 HB3 -0.10 -0.06 -0.06 -0.04 2.03 1.77 2gq8A1 MET 151 HG2 -0.08 -0.06 -0.05 -0.04 2.63 2.41 2gq8A1 MET 151 HG3 -0.07 0.13 0.03 -0.04 2.56 2.61 2gq8A1 MET 151 HE3 -0.21 -0.01 -0.24 -0.04 2.10 1.59 2gq8A1 THR 152 H -0.05 0.03 0.21 -0.55 8.28 7.92 2gq8A1 THR 152 HA -0.03 0.25 0.69 -0.75 4.39 4.55 2gq8A1 THR 152 HB -0.01 -0.04 0.20 -0.04 4.32 4.42 2gq8A1 THR 152 HG23 -0.02 0.07 0.04 -0.04 1.22 1.27 2gq8A1 LYS 153 H -0.00 0.23 0.17 -0.55 8.42 8.26 2gq8A1 LYS 153 HA -0.02 0.12 0.41 -0.75 4.32 4.07 2gq8A1 ALA 154 H -0.01 0.08 -0.15 -0.55 8.40 7.78 2gq8A1 ALA 154 HA -0.00 0.13 0.41 -0.75 4.34 4.13 2gq8A1 ALA 154 HB3 -0.01 0.03 0.04 -0.04 1.41 1.43 2gq8A1 ASP 155 H -0.04 0.02 -0.29 -0.55 8.40 7.55 2gq8A1 ASP 155 HA -0.03 0.09 0.39 -0.75 4.63 4.33 2gq8A1 ASP 155 HB2 -0.07 0.09 0.15 -0.04 2.71 2.85 2gq8A1 ASP 155 HB3 -0.06 0.06 -0.00 -0.04 2.70 2.65 2gq8A1 ILE 156 H -0.09 0.49 -0.24 -0.55 8.25 7.85 2gq8A1 ILE 156 HA -0.09 0.01 0.36 -0.75 4.18 3.70 2gq8A1 ILE 156 HB -0.14 0.13 0.14 -0.04 1.89 1.97 2gq8A1 ILE 156 HG12 -0.67 -0.02 -0.05 -0.04 1.49 0.71 2gq8A1 ILE 156 HG13 -0.26 0.11 -0.08 -0.04 1.21 0.94 2gq8A1 ILE 156 HG23 -0.09 -0.00 -0.15 -0.04 0.93 0.65 2gq8A1 ILE 156 HD13 -0.89 -0.01 -0.10 -0.04 0.88 -0.17 2gq8A1 ALA 157 H -0.00 0.46 -0.14 -0.55 8.40 8.17 2gq8A1 ALA 157 HA 0.04 0.04 0.39 -0.75 4.34 4.06 2gq8A1 ALA 157 HB3 0.02 0.03 0.09 -0.04 1.41 1.51 2gq8A1 GLN 158 H 0.01 0.48 -0.25 -0.55 8.47 8.15 2gq8A1 GLN 158 HA 0.01 0.04 0.42 -0.75 4.36 4.08 2gq8A1 GLN 158 HB2 -0.01 0.04 0.10 -0.04 2.15 2.25 2gq8A1 GLN 158 HB3 -0.01 0.08 0.17 -0.04 2.02 2.23 2gq8A1 GLN 158 HG2 -0.02 -0.02 -0.03 -0.04 2.40 2.29 2gq8A1 GLN 158 HG3 -0.01 -0.03 -0.21 -0.04 2.39 2.10 2gq8A1 GLN 158 HE21 -0.01 0.03 0.00 -0.04 6.97 6.95 2gq8A1 GLN 158 HE22 -0.02 -0.04 -0.00 -0.04 7.69 7.59 2gq8A1 VAL 159 H 0.03 0.68 -0.02 -0.55 8.24 8.38 2gq8A1 VAL 159 HA 0.01 0.00 0.41 -0.75 4.13 3.79 2gq8A1 VAL 159 HB 0.19 0.09 0.10 -0.04 2.12 2.46 2gq8A1 VAL 159 HG13 0.16 -0.02 -0.12 -0.04 0.97 0.95 2gq8A1 VAL 159 HG23 -0.03 0.03 -0.01 -0.04 0.95 0.90 2gq8A1 ILE 160 H 0.11 0.60 -0.18 -0.55 8.25 8.23 2gq8A1 ILE 160 HA 0.13 -0.01 0.44 -0.75 4.18 3.99 2gq8A1 ILE 160 HB 0.05 0.11 0.13 -0.04 1.89 2.15 2gq8A1 ILE 160 HG12 -0.13 -0.06 -0.06 -0.04 1.49 1.20 2gq8A1 ILE 160 HG13 0.15 0.11 0.06 -0.04 1.21 1.49 2gq8A1 ILE 160 HG23 -0.00 -0.00 -0.11 -0.04 0.93 0.78 2gq8A1 ILE 160 HD13 0.07 -0.02 -0.12 -0.04 0.88 0.76 2gq8A1 ALA 161 H 0.04 0.49 -0.23 -0.55 8.40 8.16 2gq8A1 ALA 161 HA 0.03 0.02 0.44 -0.75 4.34 4.08 2gq8A1 ALA 161 HB3 0.02 0.03 0.13 -0.04 1.41 1.55 2gq8A1 ASP 162 H 0.01 0.49 -0.17 -0.55 8.40 8.18 2gq8A1 ASP 162 HA -0.01 0.04 0.48 -0.75 4.63 4.38 2gq8A1 ASP 162 HB2 -0.09 0.06 0.18 -0.04 2.71 2.82 2gq8A1 ASP 162 HB3 -0.11 0.00 -0.02 -0.04 2.70 2.53 2gq8A1 TYR 163 H 0.07 0.60 -0.10 -0.55 8.29 8.31 2gq8A1 TYR 163 HA 0.01 -0.02 0.42 -0.75 4.56 4.22 2gq8A1 TYR 163 HB2 -0.06 0.12 0.21 -0.04 3.06 3.29 2gq8A1 TYR 163 HB3 -0.07 0.01 -0.04 -0.04 2.98 2.84 2gq8A1 TYR 163 HD2 -0.05 0.03 -0.09 -0.04 7.15 7.00 2gq8A1 TYR 163 HE2 0.04 -0.00 -0.16 -0.04 6.85 6.69 2gq8A1 ARG 164 H 0.09 0.60 -0.12 -0.55 8.46 8.48 2gq8A1 ARG 164 HA 0.02 0.03 0.30 -0.75 4.34 3.94 2gq8A1 ARG 164 HB2 0.02 0.06 0.12 -0.04 1.90 2.06 2gq8A1 ARG 164 HB3 0.03 0.07 0.15 -0.04 1.80 2.00 2gq8A1 ARG 164 HG2 0.01 -0.03 -0.09 -0.04 1.67 1.52 2gq8A1 ARG 164 HG3 -0.00 0.13 0.01 -0.04 1.67 1.76 2gq8A1 ARG 164 HD2 0.01 -0.04 0.00 -0.04 3.22 3.14 2gq8A1 ARG 164 HD3 0.01 -0.03 -0.01 -0.04 3.22 3.15 2gq8A1 GLN 165 H 0.03 0.57 -0.11 -0.55 8.47 8.42 2gq8A1 GLN 165 HA 0.02 0.03 0.49 -0.75 4.36 4.14 2gq8A1 GLN 165 HB2 0.03 0.02 0.16 -0.04 2.15 2.31 2gq8A1 GLN 165 HB3 0.03 0.09 0.17 -0.04 2.02 2.27 2gq8A1 GLN 165 HG2 0.04 -0.03 0.04 -0.04 2.40 2.41 2gq8A1 GLN 165 HG3 0.05 0.01 -0.07 -0.04 2.39 2.34 2gq8A1 GLN 165 HE21 0.03 0.01 0.01 -0.04 6.97 6.98 2gq8A1 GLN 165 HE22 0.04 -0.01 0.02 -0.04 7.69 7.70 2gq8A1 ALA 166 H 0.04 0.54 -0.17 -0.55 8.40 8.27 2gq8A1 ALA 166 HA 0.06 0.11 0.47 -0.75 4.34 4.22 2gq8A1 ALA 166 HB3 0.05 0.01 0.14 -0.04 1.41 1.57 2gq8A1 ALA 167 H 0.02 0.50 -0.27 -0.55 8.40 8.10 2gq8A1 ALA 167 HA -0.07 -0.01 0.44 -0.75 4.34 3.95 2gq8A1 ALA 167 HB3 -0.04 0.05 0.09 -0.04 1.41 1.47 2gq8A1 LEU 168 H 0.00 0.40 -0.10 -0.55 8.37 8.13 2gq8A1 LEU 168 HA -0.01 0.08 0.45 -0.75 4.35 4.12 2gq8A1 LEU 168 HB2 0.02 0.10 0.20 -0.04 1.64 1.92 2gq8A1 LEU 168 HB3 0.01 -0.06 0.04 -0.04 1.64 1.59 2gq8A1 LEU 168 HG 0.00 0.15 0.09 -0.04 1.64 1.84 2gq8A1 LEU 168 HD13 0.01 -0.03 0.02 -0.04 0.93 0.89 2gq8A1 LEU 168 HD23 -0.00 0.01 0.01 -0.04 0.89 0.86 2gq8A1 ASN 169 H 0.03 0.65 -0.13 -0.55 8.53 8.53 2gq8A1 ASN 169 HA 0.05 -0.04 0.38 -0.75 4.76 4.40 2gq8A1 ASN 169 HB2 0.06 0.16 0.24 -0.04 2.88 3.29 2gq8A1 ASN 169 HB3 0.09 -0.11 0.00 -0.04 2.79 2.74 2gq8A1 ASN 169 HD21 0.09 -0.09 0.00 -0.04 7.03 6.99 2gq8A1 ASN 169 HD22 0.11 0.39 0.23 -0.04 7.74 8.43 2gq8A1 ALA 170 H -0.01 0.53 -0.24 -0.55 8.40 8.14 2gq8A1 ALA 170 HA 0.13 -0.03 0.42 -0.75 4.34 4.10 2gq8A1 ALA 170 HB3 -0.22 0.03 0.10 -0.04 1.41 1.28 2gq8A1 MET 171 H 0.01 0.45 -0.22 -0.55 8.47 8.15 2gq8A1 MET 171 HA 0.03 0.17 0.47 -0.75 4.52 4.44 2gq8A1 MET 171 HB2 0.00 0.08 0.17 -0.04 2.15 2.36 2gq8A1 MET 171 HB3 -0.00 -0.04 0.06 -0.04 2.03 2.00 2gq8A1 MET 171 HG2 -0.05 0.19 0.06 -0.04 2.63 2.79 2gq8A1 MET 171 HG3 -0.04 -0.02 0.02 -0.04 2.56 2.48 2gq8A1 MET 171 HE3 -0.11 -0.06 -0.35 -0.04 2.10 1.55 2gq8A1 GLU 172 H 0.04 0.49 -0.14 -0.55 8.60 8.44 2gq8A1 GLU 172 HA 0.03 0.02 0.41 -0.75 4.29 4.00 2gq8A1 GLU 172 HB2 0.03 0.00 0.10 -0.04 2.09 2.18 2gq8A1 GLU 172 HB3 0.06 0.09 0.12 -0.04 1.99 2.22 2gq8A1 GLU 172 HG2 0.04 -0.01 -0.12 -0.04 2.34 2.21 2gq8A1 GLU 172 HG3 0.03 -0.02 0.07 -0.04 2.34 2.38 2gq8A1 ALA 173 H 0.11 0.36 -0.42 -0.55 8.40 7.90 2gq8A1 ALA 173 HA 0.07 0.04 0.50 -0.75 4.34 4.20 2gq8A1 ALA 173 HB3 0.23 -0.05 0.10 -0.04 1.41 1.64 2gq8A1 GLY 174 H 0.04 0.44 -0.55 -0.55 8.43 7.82 2gq8A1 GLY 174 HA2 0.03 0.05 0.28 -0.51 4.01 3.86 2gq8A1 GLY 174 HA3 -0.01 0.03 0.55 -0.51 4.01 4.07 2gq8A1 PHE 175 H 0.11 0.36 -0.07 -0.55 8.34 8.18 2gq8A1 PHE 175 HA -0.04 0.04 0.52 -0.75 4.62 4.39 2gq8A1 PHE 175 HB2 -0.16 0.06 -0.01 -0.04 3.15 2.99 2gq8A1 PHE 175 HB3 -0.21 -0.00 0.18 -0.04 3.06 2.99 2gq8A1 PHE 175 HD2 -0.19 0.13 -0.18 -0.04 7.28 7.01 2gq8A1 PHE 175 HE2 -0.58 -0.03 -0.13 -0.04 7.38 6.59 2gq8A1 PHE 175 HZ -1.90 -0.07 -0.05 -0.04 7.32 5.26 2gq8A1 ASP 176 H 0.18 0.58 0.41 -0.55 8.40 9.03 2gq8A1 ASP 176 HA 0.02 0.14 0.65 -0.75 4.63 4.69 2gq8A1 ASP 176 HB2 0.34 -0.04 0.06 -0.04 2.71 3.03 2gq8A1 ASP 176 HB3 0.20 -0.01 0.11 -0.04 2.70 2.96 2gq8A1 GLY 177 H -0.39 0.21 0.10 -0.55 8.43 7.80 2gq8A1 GLY 177 HA2 -0.55 0.13 0.39 -0.51 4.01 3.47 2gq8A1 GLY 177 HA3 -1.87 0.07 0.41 -0.51 4.01 2.11 2gq8A1 ILE 178 H -0.47 0.78 0.39 -0.55 8.25 8.40 2gq8A1 ILE 178 HA -0.29 0.06 1.05 -0.75 4.18 4.25 2gq8A1 ILE 178 HB -0.17 -0.02 0.12 -0.04 1.89 1.78 2gq8A1 ILE 178 HG12 -0.13 -0.01 0.00 -0.04 1.49 1.31 2gq8A1 ILE 178 HG13 -0.19 0.18 0.20 -0.04 1.21 1.36 2gq8A1 ILE 178 HG23 -0.25 -0.01 -0.10 -0.04 0.93 0.53 2gq8A1 ILE 178 HD13 -0.12 -0.04 -0.27 -0.04 0.88 0.41 2gq8A1 GLU 179 H -0.08 0.72 0.20 -0.55 8.60 8.89 2gq8A1 GLU 179 HA -0.08 0.25 0.84 -0.75 4.29 4.55 2gq8A1 GLU 179 HB2 0.23 0.04 -0.26 -0.04 2.09 2.06 2gq8A1 GLU 179 HB3 0.02 -0.06 -0.11 -0.04 1.99 1.79 2gq8A1 GLU 179 HG2 -0.01 -0.02 -0.55 -0.04 2.34 1.72 2gq8A1 GLU 179 HG3 0.09 -0.02 -0.42 -0.04 2.34 1.96 2gq8A1 LEU 180 H -0.11 0.77 0.32 -0.55 8.37 8.81 2gq8A1 LEU 180 HA -0.01 0.12 0.73 -0.75 4.35 4.44 2gq8A1 LEU 180 HB2 -0.18 0.06 0.08 -0.04 1.64 1.56 2gq8A1 LEU 180 HB3 -0.13 -0.02 0.25 -0.04 1.64 1.70 2gq8A1 LEU 180 HG -0.09 -0.07 -0.45 -0.04 1.64 0.98 2gq8A1 LEU 180 HD13 -0.43 0.01 -0.03 -0.04 0.93 0.44 2gq8A1 LEU 180 HD23 -0.30 -0.01 -0.07 -0.04 0.89 0.47 2gq8A1 HIS 181 H 0.20 0.60 0.25 -0.55 8.41 8.91 2gq8A1 HIS 181 HA 0.00 0.03 0.60 -0.75 4.63 4.51 2gq8A1 HIS 181 HB2 -0.06 0.10 -0.01 -0.04 3.26 3.25 2gq8A1 HIS 181 HB3 0.24 -0.06 0.25 -0.04 3.20 3.58 2gq8A1 HIS 181 HD2 -1.17 -0.01 -0.08 -0.04 6.97 5.66 2gq8A1 HIS 181 HE1 0.18 -0.15 -0.47 -0.04 7.75 7.27 2gq8A1 ALA 182 H 0.20 0.53 0.30 -0.55 8.40 8.89 2gq8A1 ALA 182 HA 0.18 -0.01 0.78 -0.75 4.34 4.54 2gq8A1 ALA 182 HB3 0.05 0.04 0.05 -0.04 1.41 1.52 2gq8A1 ALA 183 H 0.63 0.06 -0.20 -0.55 8.40 8.34 2gq8A1 ALA 183 HA 0.19 0.19 0.92 -0.75 4.34 4.89 2gq8A1 ALA 183 HB3 0.16 -0.01 -0.31 -0.04 1.41 1.21 2gq8A1 ASN 184 H 0.15 0.18 0.06 -0.55 8.53 8.36 2gq8A1 ASN 184 HA 0.07 0.04 0.26 -0.75 4.76 4.38 2gq8A1 ASN 184 HB2 0.48 0.06 -0.17 -0.04 2.88 3.20 2gq8A1 ASN 184 HB3 0.19 0.04 0.13 -0.04 2.79 3.11 2gq8A1 ASN 184 HD21 0.02 0.06 -0.03 -0.04 7.03 7.04 2gq8A1 ASN 184 HD22 0.26 0.03 -0.07 -0.04 7.74 7.93 2gq8A1 GLY 185 H 0.02 0.06 -0.39 -0.55 8.43 7.57 2gq8A1 GLY 185 HA2 -0.02 0.00 0.12 -0.51 4.01 3.60 2gq8A1 GLY 185 HA3 -0.15 0.05 0.27 -0.51 4.01 3.68 2gq8A1 TYR 186 H -0.01 0.41 -0.27 -0.55 8.29 7.86 2gq8A1 TYR 186 HA 0.11 0.34 0.67 -0.75 4.56 4.92 2gq8A1 TYR 186 HB2 -0.00 0.00 0.04 -0.04 3.06 3.06 2gq8A1 TYR 186 HB3 0.17 0.04 0.28 -0.04 2.98 3.43 2gq8A1 TYR 186 HD2 -0.17 0.06 -0.00 -0.04 7.15 7.01 2gq8A1 TYR 186 HE2 0.34 -0.00 -0.02 -0.04 6.85 7.13 2gq8A1 LEU 187 H 0.34 0.42 0.02 -0.55 8.37 8.60 2gq8A1 LEU 187 HA 0.19 0.04 0.20 -0.75 4.35 4.03 2gq8A1 LEU 187 HB2 0.17 -0.08 -0.11 -0.04 1.64 1.59 2gq8A1 LEU 187 HB3 0.27 0.03 0.10 -0.04 1.64 2.01 2gq8A1 LEU 187 HG 0.32 0.01 -0.37 -0.04 1.64 1.55 2gq8A1 LEU 187 HD13 0.10 0.01 -0.06 -0.04 0.93 0.93 2gq8A1 LEU 187 HD23 -0.45 -0.00 -0.09 -0.04 0.89 0.31 2gq8A1 ILE 188 H 0.29 0.23 -0.03 -0.55 8.25 8.19 2gq8A1 ILE 188 HA 0.43 0.06 0.40 -0.75 4.18 4.32 2gq8A1 ILE 188 HB 0.15 0.03 0.14 -0.04 1.89 2.17 2gq8A1 ILE 188 HG12 -0.02 -0.02 -0.06 -0.04 1.49 1.36 2gq8A1 ILE 188 HG13 0.22 -0.03 0.06 -0.04 1.21 1.41 2gq8A1 ILE 188 HG23 0.05 0.00 -0.04 -0.04 0.93 0.89 2gq8A1 ILE 188 HD13 -0.33 0.03 -0.07 -0.04 0.88 0.47 2gq8A1 ASN 189 H 0.21 0.13 -0.43 -0.55 8.53 7.90 2gq8A1 ASN 189 HA 0.18 0.04 0.35 -0.75 4.76 4.58 2gq8A1 ASN 189 HB2 0.16 0.01 -0.29 -0.04 2.88 2.72 2gq8A1 ASN 189 HB3 0.11 0.15 -0.26 -0.04 2.79 2.75 2gq8A1 ASN 189 HD21 0.20 0.10 -0.05 -0.04 7.03 7.23 2gq8A1 ASN 189 HD22 0.17 -0.09 0.12 -0.04 7.74 7.90 2gq8A1 GLN 190 H 0.18 0.48 -0.44 -0.55 8.47 8.15 2gq8A1 GLN 190 HA 0.03 0.03 0.35 -0.75 4.36 4.02 2gq8A1 GLN 190 HB2 0.09 0.18 0.11 -0.04 2.15 2.49 2gq8A1 GLN 190 HB3 -0.08 -0.15 0.11 -0.04 2.02 1.85 2gq8A1 GLN 190 HG2 -0.01 0.02 -0.01 -0.04 2.40 2.37 2gq8A1 GLN 190 HG3 0.05 0.11 -0.21 -0.04 2.39 2.30 2gq8A1 GLN 190 HE21 0.11 0.11 0.12 -0.04 6.97 7.27 2gq8A1 GLN 190 HE22 0.05 0.69 0.10 -0.04 7.69 8.49 2gq8A1 PHE 191 H 0.35 0.35 -0.48 -0.55 8.34 8.01 2gq8A1 PHE 191 HA 0.02 0.06 0.76 -0.75 4.62 4.71 2gq8A1 PHE 191 HB2 0.16 0.11 0.22 -0.04 3.15 3.60 2gq8A1 PHE 191 HB3 0.12 0.09 0.08 -0.04 3.06 3.31 2gq8A1 PHE 191 HD2 0.02 0.23 0.05 -0.04 7.28 7.54 2gq8A1 PHE 191 HE2 -0.37 -0.05 -0.09 -0.04 7.38 6.82 2gq8A1 PHE 191 HZ -0.56 -0.01 -0.09 -0.04 7.32 6.62 2gq8A1 ILE 192 H 0.22 0.31 0.09 -0.55 8.25 8.33 2gq8A1 ILE 192 HA 0.08 0.13 0.34 -0.75 4.18 3.98 2gq8A1 ILE 192 HB 0.12 -0.01 0.15 -0.04 1.89 2.11 2gq8A1 ILE 192 HG12 0.02 -0.01 0.02 -0.04 1.49 1.48 2gq8A1 ILE 192 HG13 0.14 0.16 0.09 -0.04 1.21 1.56 2gq8A1 ILE 192 HG23 -0.23 -0.04 -0.20 -0.04 0.93 0.42 2gq8A1 ILE 192 HD13 0.04 -0.02 -0.04 -0.04 0.88 0.82 2gq8A1 ASP 193 H 0.11 0.53 -0.08 -0.55 8.40 8.41 2gq8A1 ASP 193 HA 0.09 -0.08 0.45 -0.75 4.63 4.34 2gq8A1 ASP 193 HB2 0.08 0.11 -0.04 -0.04 2.71 2.82 2gq8A1 ASP 193 HB3 0.08 0.05 -0.56 -0.04 2.70 2.23 2gq8A1 SER 194 H 0.05 -0.04 0.28 -0.55 8.46 8.21 2gq8A1 SER 194 HA 0.02 0.18 0.36 -0.75 4.49 4.30 2gq8A1 SER 194 HB2 0.01 0.09 0.10 -0.04 3.95 4.12 2gq8A1 SER 194 HB3 0.02 -0.01 0.21 -0.04 3.93 4.11 2gq8A1 GLU 195 H 0.02 0.39 0.05 -0.55 8.60 8.51 2gq8A1 GLU 195 HA -0.00 0.11 0.53 -0.75 4.29 4.17 2gq8A1 GLU 195 HB2 0.01 0.07 0.10 -0.04 2.09 2.23 2gq8A1 GLU 195 HB3 0.00 0.01 0.12 -0.04 1.99 2.08 2gq8A1 GLU 195 HG2 0.02 -0.09 -0.14 -0.04 2.34 2.08 2gq8A1 GLU 195 HG3 0.01 0.01 -0.09 -0.04 2.34 2.23 2gq8A1 ALA 196 H 0.00 0.42 -0.36 -0.55 8.40 7.92 2gq8A1 ALA 196 HA -0.03 0.17 0.86 -0.75 4.34 4.58 2gq8A1 ALA 196 HB3 -0.01 0.00 0.07 -0.04 1.41 1.43 2gq8A1 ASN 197 H -0.03 0.29 -0.23 -0.55 8.53 8.02 2gq8A1 ASN 197 HA -0.15 0.00 0.94 -0.75 4.76 4.80 2gq8A1 ASN 197 HB2 -0.09 0.25 -0.02 -0.04 2.88 2.99 2gq8A1 ASN 197 HB3 -0.02 -0.01 0.12 -0.04 2.79 2.83 2gq8A1 ASN 197 HD21 0.09 0.44 0.32 -0.04 7.03 7.84 2gq8A1 ASN 197 HD22 0.07 0.50 0.26 -0.04 7.74 8.52 2gq8A1 ASN 198 H -0.09 0.12 -0.02 -0.55 8.53 7.99 2gq8A1 ASN 198 HA -0.03 0.27 0.90 -0.75 4.76 5.15 2gq8A1 ASN 198 HB2 -0.03 0.01 0.13 -0.04 2.88 2.95 2gq8A1 ASN 198 HB3 -0.04 0.07 -0.09 -0.04 2.79 2.69 2gq8A1 ASN 198 HD21 -0.04 -0.09 -0.05 -0.04 7.03 6.80 2gq8A1 ASN 198 HD22 -0.03 0.07 -0.05 -0.04 7.74 7.68 2gq8A1 ARG 199 H -0.06 0.09 -0.21 -0.55 8.46 7.73 2gq8A1 ARG 199 HA -0.03 0.06 0.44 -0.75 4.34 4.05 2gq8A1 ARG 199 HB2 0.02 0.04 -0.19 -0.04 1.90 1.72 2gq8A1 ARG 199 HB3 0.03 -0.21 -0.04 -0.04 1.80 1.55 2gq8A1 ARG 199 HG2 -0.09 0.12 0.07 -0.04 1.67 1.73 2gq8A1 ARG 199 HG3 -0.17 -0.09 -0.05 -0.04 1.67 1.32 2gq8A1 ARG 199 HD2 -0.33 0.02 0.10 -0.04 3.22 2.96 2gq8A1 ARG 199 HD3 0.06 0.12 -0.17 -0.04 3.22 3.19 2gq8A1 SER 200 H 0.00 0.08 0.17 -0.55 8.46 8.16 2gq8A1 SER 200 HA 0.01 0.26 0.78 -0.75 4.49 4.78 2gq8A1 SER 200 HB2 0.00 0.00 0.13 -0.04 3.95 4.04 2gq8A1 SER 200 HB3 -0.00 0.07 0.04 -0.04 3.93 3.99 2gq8A1 ASP 201 H 0.04 -0.07 -0.09 -0.55 8.40 7.74 2gq8A1 ASP 201 HA 0.03 0.27 0.76 -0.75 4.63 4.93 2gq8A1 ASP 201 HB2 0.08 -0.07 0.20 -0.04 2.71 2.88 2gq8A1 ASP 201 HB3 0.06 0.05 0.07 -0.04 2.70 2.84 2gq8A1 GLU 202 H 0.02 0.13 0.12 -0.55 8.60 8.33 2gq8A1 GLU 202 HA -0.07 0.17 0.41 -0.75 4.29 4.04 2gq8A1 GLU 202 HB2 -0.19 0.04 0.14 -0.04 2.09 2.04 2gq8A1 GLU 202 HB3 -0.09 0.00 0.13 -0.04 1.99 1.99 2gq8A1 GLU 202 HG2 -0.38 -0.08 -0.09 -0.04 2.34 1.75 2gq8A1 GLU 202 HG3 -0.77 0.04 -0.15 -0.04 2.34 1.42 2gq8A1 TYR 203 H 0.16 -0.06 -0.63 -0.55 8.29 7.22 2gq8A1 TYR 203 HA 0.11 0.37 0.87 -0.75 4.56 5.15 2gq8A1 TYR 203 HB2 0.15 -0.06 -0.01 -0.04 3.06 3.09 2gq8A1 TYR 203 HB3 0.36 0.03 0.14 -0.04 2.98 3.47 2gq8A1 TYR 203 HD2 0.07 -0.07 -0.04 -0.04 7.15 7.06 2gq8A1 TYR 203 HE2 0.07 -0.00 -0.14 -0.04 6.85 6.73 2gq8A1 GLY 204 H 0.07 0.52 -0.26 -0.55 8.43 8.21 2gq8A1 GLY 204 HA2 0.07 0.15 0.39 -0.51 4.01 4.11 2gq8A1 GLY 204 HA3 0.04 -0.00 0.18 -0.51 4.01 3.72 2gq8A1 GLY 205 H 0.02 0.20 0.05 -0.55 8.43 8.15 2gq8A1 GLY 205 HA2 0.00 0.04 0.38 -0.51 4.01 3.92 2gq8A1 GLY 205 HA3 0.01 0.21 0.60 -0.51 4.01 4.32 2gq8A1 SER 206 H 0.01 0.21 -0.37 -0.55 8.46 7.77 2gq8A1 SER 206 HA 0.00 0.23 0.74 -0.75 4.49 4.70 2gq8A1 SER 206 HB2 -0.00 -0.03 0.13 -0.04 3.95 4.01 2gq8A1 SER 206 HB3 -0.00 0.17 -0.10 -0.04 3.93 3.96 2gq8A1 LEU 207 H 0.00 0.22 0.13 -0.55 8.37 8.17 2gq8A1 LEU 207 HA 0.01 0.14 0.47 -0.75 4.35 4.22 2gq8A1 LEU 207 HB2 0.00 0.02 0.11 -0.04 1.64 1.73 2gq8A1 LEU 207 HB3 0.00 -0.02 0.13 -0.04 1.64 1.71 2gq8A1 LEU 207 HG -0.00 0.03 -0.26 -0.04 1.64 1.37 2gq8A1 LEU 207 HD13 -0.02 0.01 0.05 -0.04 0.93 0.93 2gq8A1 LEU 207 HD23 0.01 0.01 -0.07 -0.04 0.89 0.80 2gq8A1 GLU 208 H -0.00 0.08 -0.11 -0.55 8.60 8.03 2gq8A1 GLU 208 HA -0.00 0.12 0.32 -0.75 4.29 3.98 2gq8A1 GLU 208 HB2 -0.01 0.01 0.07 -0.04 2.09 2.12 2gq8A1 GLU 208 HB3 -0.01 -0.03 0.01 -0.04 1.99 1.92 2gq8A1 GLU 208 HG2 -0.02 0.03 -0.19 -0.04 2.34 2.12 2gq8A1 GLU 208 HG3 -0.01 0.03 -0.00 -0.04 2.34 2.32 2gq8A1 ASN 209 H -0.00 -0.04 -0.46 -0.55 8.53 7.48 2gq8A1 ASN 209 HA -0.04 0.18 0.43 -0.75 4.76 4.57 2gq8A1 ASN 209 HB2 0.01 -0.24 -0.18 -0.04 2.88 2.43 2gq8A1 ASN 209 HB3 0.01 -0.09 -0.45 -0.04 2.79 2.23 2gq8A1 ASN 209 HD21 -0.02 -0.08 -0.04 -0.04 7.03 6.85 2gq8A1 ASN 209 HD22 -0.00 0.60 0.06 -0.04 7.74 8.35 2gq8A1 ARG 210 H 0.04 0.47 -0.24 -0.55 8.46 8.18 2gq8A1 ARG 210 HA 0.16 0.21 0.35 -0.75 4.34 4.31 2gq8A1 ARG 210 HB2 0.03 -0.04 0.16 -0.04 1.90 2.01 2gq8A1 ARG 210 HB3 0.06 0.10 0.10 -0.04 1.80 2.01 2gq8A1 ARG 210 HG2 0.06 0.14 0.07 -0.04 1.67 1.90 2gq8A1 ARG 210 HG3 0.04 -0.13 -0.03 -0.04 1.67 1.51 2gq8A1 ARG 210 HD2 0.03 0.38 -0.09 -0.04 3.22 3.50 2gq8A1 ARG 210 HD3 0.02 -0.03 -0.07 -0.04 3.22 3.10 2gq8A1 LEU 211 H 0.04 0.38 -0.41 -0.55 8.37 7.84 2gq8A1 LEU 211 HA 0.05 0.08 0.67 -0.75 4.35 4.39 2gq8A1 LEU 211 HB2 0.01 0.11 0.02 -0.04 1.64 1.74 2gq8A1 LEU 211 HB3 0.01 -0.07 0.08 -0.04 1.64 1.61 2gq8A1 LEU 211 HG -0.02 0.14 -0.02 -0.04 1.64 1.71 2gq8A1 LEU 211 HD13 -0.02 -0.01 -0.13 -0.04 0.93 0.73 2gq8A1 LEU 211 HD23 -0.08 0.00 -0.05 -0.04 0.89 0.72 2gq8A1 ARG 212 H 0.08 0.41 -0.42 -0.55 8.46 7.97 2gq8A1 ARG 212 HA 0.03 0.03 0.36 -0.75 4.34 4.01 2gq8A1 ARG 212 HB2 -0.07 0.12 0.21 -0.04 1.90 2.12 2gq8A1 ARG 212 HB3 0.00 0.05 0.16 -0.04 1.80 1.96 2gq8A1 ARG 212 HG2 0.00 -0.09 -0.19 -0.04 1.67 1.36 2gq8A1 ARG 212 HG3 -0.07 -0.02 0.02 -0.04 1.67 1.56 2gq8A1 ARG 212 HD2 -1.29 -0.07 -0.15 -0.04 3.22 1.67 2gq8A1 ARG 212 HD3 -0.37 -0.07 -0.05 -0.04 3.22 2.68 2gq8A1 PHE 213 H 0.32 0.30 -0.16 -0.55 8.34 8.25 2gq8A1 PHE 213 HA -0.01 0.03 0.38 -0.75 4.62 4.27 2gq8A1 PHE 213 HB2 -0.51 0.05 0.09 -0.04 3.15 2.74 2gq8A1 PHE 213 HB3 -0.38 0.06 0.05 -0.04 3.06 2.75 2gq8A1 PHE 213 HD2 -0.44 0.01 -0.04 -0.04 7.28 6.77 2gq8A1 PHE 213 HE2 -0.18 0.01 -0.08 -0.04 7.38 7.08 2gq8A1 PHE 213 HZ -0.10 -0.02 -0.10 -0.04 7.32 7.06 2gq8A1 LEU 214 H 0.04 0.20 -0.27 -0.55 8.37 7.80 2gq8A1 LEU 214 HA -0.26 -0.02 0.37 -0.75 4.35 3.69 2gq8A1 LEU 214 HB2 -0.02 -0.02 0.09 -0.04 1.64 1.64 2gq8A1 LEU 214 HB3 -0.02 0.18 0.12 -0.04 1.64 1.88 2gq8A1 LEU 214 HG -0.10 0.03 -0.29 -0.04 1.64 1.24 2gq8A1 LEU 214 HD13 -0.11 -0.02 -0.01 -0.04 0.93 0.75 2gq8A1 LEU 214 HD23 -0.03 0.01 -0.03 -0.04 0.89 0.79 2gq8A1 ASP 215 H -0.01 0.60 -0.18 -0.55 8.40 8.26 2gq8A1 ASP 215 HA -0.00 0.02 0.34 -0.75 4.63 4.24 2gq8A1 ASP 215 HB2 0.05 0.04 0.06 -0.04 2.71 2.82 2gq8A1 ASP 215 HB3 0.04 0.12 0.17 -0.04 2.70 2.99 2gq8A1 GLU 216 H -0.03 0.64 -0.06 -0.55 8.60 8.61 2gq8A1 GLU 216 HA -0.01 0.04 0.45 -0.75 4.29 4.01 2gq8A1 GLU 216 HB2 0.02 0.03 0.12 -0.04 2.09 2.22 2gq8A1 GLU 216 HB3 0.02 -0.05 0.01 -0.04 1.99 1.93 2gq8A1 GLU 216 HG2 0.05 -0.02 -0.00 -0.04 2.34 2.33 2gq8A1 GLU 216 HG3 0.07 0.15 0.06 -0.04 2.34 2.57 2gq8A1 VAL 217 H -0.36 0.66 -0.09 -0.55 8.24 7.90 2gq8A1 VAL 217 HA -0.27 0.01 0.47 -0.75 4.13 3.59 2gq8A1 VAL 217 HB -0.57 0.09 0.14 -0.04 2.12 1.74 2gq8A1 VAL 217 HG13 -0.80 -0.02 -0.12 -0.04 0.97 -0.01 2gq8A1 VAL 217 HG23 -0.97 0.01 -0.00 -0.04 0.95 -0.06 2gq8A1 VAL 218 H -0.31 0.67 -0.07 -0.55 8.24 7.98 2gq8A1 VAL 218 HA -0.28 -0.01 0.39 -0.75 4.13 3.48 2gq8A1 VAL 218 HB -0.58 0.13 0.12 -0.04 2.12 1.75 2gq8A1 VAL 218 HG13 -0.53 -0.00 -0.11 -0.04 0.97 0.28 2gq8A1 VAL 218 HG23 -0.27 0.00 0.01 -0.04 0.95 0.65 2gq8A1 ALA 219 H -0.19 0.53 -0.21 -0.55 8.40 7.99 2gq8A1 ALA 219 HA 0.03 0.04 0.38 -0.75 4.34 4.03 2gq8A1 ALA 219 HB3 0.07 0.03 0.10 -0.04 1.41 1.57 2gq8A1 ALA 220 H -0.09 0.44 -0.26 -0.55 8.40 7.94 2gq8A1 ALA 220 HA -0.02 0.01 0.43 -0.75 4.34 4.00 2gq8A1 ALA 220 HB3 -0.04 0.02 0.12 -0.04 1.41 1.46 2gq8A1 LEU 221 H -0.12 0.52 -0.10 -0.55 8.37 8.13 2gq8A1 LEU 221 HA -0.06 0.02 0.43 -0.75 4.35 3.99 2gq8A1 LEU 221 HB2 -0.15 0.08 0.13 -0.04 1.64 1.66 2gq8A1 LEU 221 HB3 -0.11 -0.01 -0.03 -0.04 1.64 1.45 2gq8A1 LEU 221 HG -0.16 0.17 0.01 -0.04 1.64 1.61 2gq8A1 LEU 221 HD13 -0.25 -0.04 -0.10 -0.04 0.93 0.50 2gq8A1 LEU 221 HD23 -0.03 -0.03 -0.11 -0.04 0.89 0.69 2gq8A1 VAL 222 H -0.09 0.68 -0.11 -0.55 8.24 8.17 2gq8A1 VAL 222 HA -0.04 0.02 0.18 -0.75 4.13 3.54 2gq8A1 VAL 222 HB 0.01 0.11 0.12 -0.04 2.12 2.31 2gq8A1 VAL 222 HG13 0.02 -0.03 -0.11 -0.04 0.97 0.81 2gq8A1 VAL 222 HG23 -0.04 0.03 -0.01 -0.04 0.95 0.89 2gq8A1 ASP 223 H -0.02 0.52 -0.20 -0.55 8.40 8.15 2gq8A1 ASP 223 HA -0.00 -0.01 0.39 -0.75 4.63 4.26 2gq8A1 ASP 223 HB2 -0.00 0.08 0.14 -0.04 2.71 2.90 2gq8A1 ASP 223 HB3 -0.01 0.07 0.14 -0.04 2.70 2.86 2gq8A1 ALA 224 H -0.02 0.41 -0.29 -0.55 8.40 7.95 2gq8A1 ALA 224 HA -0.01 0.01 0.49 -0.75 4.34 4.08 2gq8A1 ALA 224 HB3 -0.02 -0.02 0.13 -0.04 1.41 1.46 2gq8A1 ILE 225 H -0.04 0.49 0.01 -0.55 8.25 8.17 2gq8A1 ILE 225 HA -0.03 0.25 1.12 -0.75 4.18 4.76 2gq8A1 ILE 225 HB -0.06 -0.01 0.12 -0.04 1.89 1.90 2gq8A1 ILE 225 HG12 -0.07 0.08 -0.02 -0.04 1.49 1.44 2gq8A1 ILE 225 HG13 -0.08 0.13 -0.29 -0.04 1.21 0.92 2gq8A1 ILE 225 HG23 -0.04 0.00 -0.31 -0.04 0.93 0.54 2gq8A1 ILE 225 HD13 -0.14 -0.01 -0.06 -0.04 0.88 0.62 2gq8A1 GLY 226 H -0.03 0.53 0.03 -0.55 8.43 8.42 2gq8A1 GLY 226 HA2 -0.01 0.03 0.44 -0.51 4.01 3.96 2gq8A1 GLY 226 HA3 -0.02 0.14 0.75 -0.51 4.01 4.38 2gq8A1 ALA 227 H 0.00 0.19 0.18 -0.55 8.40 8.22 2gq8A1 ALA 227 HA -0.01 0.03 0.42 -0.75 4.34 4.02 2gq8A1 ALA 227 HB3 0.03 0.08 0.06 -0.04 1.41 1.54 2gq8A1 GLU 228 H 0.01 0.06 -0.16 -0.55 8.60 7.96 2gq8A1 GLU 228 HA 0.05 0.12 0.44 -0.75 4.29 4.14 2gq8A1 GLU 228 HB2 0.02 0.05 0.04 -0.04 2.09 2.16 2gq8A1 GLU 228 HB3 0.05 -0.09 0.17 -0.04 1.99 2.08 2gq8A1 GLU 228 HG2 0.03 0.06 0.06 -0.04 2.34 2.45 2gq8A1 GLU 228 HG3 0.02 -0.03 0.07 -0.04 2.34 2.35 2gq8A1 ARG 229 H -0.02 0.42 -0.57 -0.55 8.46 7.73 2gq8A1 ARG 229 HA -0.02 0.21 0.92 -0.75 4.34 4.69 2gq8A1 ARG 229 HB2 -0.10 0.18 0.01 -0.04 1.90 1.95 2gq8A1 ARG 229 HB3 -0.23 -0.14 0.25 -0.04 1.80 1.64 2gq8A1 ARG 229 HG2 -0.05 0.12 0.03 -0.04 1.67 1.74 2gq8A1 ARG 229 HG3 -0.03 -0.16 -0.14 -0.04 1.67 1.30 2gq8A1 ARG 229 HD2 -0.11 0.04 -0.02 -0.04 3.22 3.09 2gq8A1 ARG 229 HD3 -0.04 -0.08 0.04 -0.04 3.22 3.10 2gq8A1 VAL 230 H -0.02 0.45 -0.10 -0.55 8.24 8.02 2gq8A1 VAL 230 HA -0.13 0.22 1.19 -0.75 4.13 4.66 2gq8A1 VAL 230 HB -0.08 0.02 0.16 -0.04 2.12 2.19 2gq8A1 VAL 230 HG13 -0.15 -0.03 -0.17 -0.04 0.97 0.58 2gq8A1 VAL 230 HG23 -0.10 0.04 -0.32 -0.04 0.95 0.53 2gq8A1 GLY 231 H -0.19 0.71 0.42 -0.55 8.43 8.82 2gq8A1 GLY 231 HA2 -0.59 0.24 0.97 -0.51 4.01 4.12 2gq8A1 GLY 231 HA3 -1.53 -0.01 0.27 -0.51 4.01 2.24 2gq8A1 VAL 232 H -0.26 0.53 0.28 -0.55 8.24 8.25 2gq8A1 VAL 232 HA -0.11 0.07 1.01 -0.75 4.13 4.34 2gq8A1 VAL 232 HB -0.15 0.02 0.07 -0.04 2.12 2.03 2gq8A1 VAL 232 HG13 -0.07 -0.01 -0.15 -0.04 0.97 0.70 2gq8A1 VAL 232 HG23 -0.17 -0.00 -0.22 -0.04 0.95 0.52 2gq8A1 ARG 233 H -0.02 0.68 0.30 -0.55 8.46 8.87 2gq8A1 ARG 233 HA -0.03 0.39 1.12 -0.75 4.34 5.07 2gq8A1 ARG 233 HB2 -0.14 0.02 -0.09 -0.04 1.90 1.65 2gq8A1 ARG 233 HB3 -0.12 -0.21 0.09 -0.04 1.80 1.52 2gq8A1 ARG 233 HG2 -0.21 -0.07 -0.17 -0.04 1.67 1.18 2gq8A1 ARG 233 HG3 -0.48 0.13 -0.10 -0.04 1.67 1.19 2gq8A1 ARG 233 HD2 -0.51 0.03 -0.13 -0.04 3.22 2.57 2gq8A1 ARG 233 HD3 -0.45 -0.09 -0.12 -0.04 3.22 2.52 2gq8A1 LEU 234 H -0.04 0.75 0.41 -0.55 8.37 8.94 2gq8A1 LEU 234 HA 0.13 0.19 0.68 -0.75 4.35 4.60 2gq8A1 LEU 234 HB2 0.06 0.05 -0.01 -0.04 1.64 1.70 2gq8A1 LEU 234 HB3 0.30 -0.05 -0.02 -0.04 1.64 1.83 2gq8A1 LEU 234 HG 0.03 -0.01 -0.41 -0.04 1.64 1.21 2gq8A1 LEU 234 HD13 0.14 0.01 -0.13 -0.04 0.93 0.90 2gq8A1 LEU 234 HD23 0.14 0.03 -0.08 -0.04 0.89 0.94 2gq8A1 ALA 235 H 0.09 0.25 0.04 -0.55 8.40 8.25 2gq8A1 ALA 235 HA -0.06 0.31 0.89 -0.75 4.34 4.72 2gq8A1 ALA 235 HB3 0.03 -0.02 0.15 -0.04 1.41 1.53 2gq8A1 PRO 236 HA -1.87 0.05 0.42 -0.51 4.44 2.52 2gq8A1 PRO 236 HB2 0.11 0.04 -0.01 -0.04 2.28 2.38 2gq8A1 PRO 236 HB3 -0.14 0.02 0.02 -0.04 2.02 1.88 2gq8A1 PRO 236 HG2 0.00 0.11 -0.04 -0.04 2.03 2.06 2gq8A1 PRO 236 HG3 -0.19 0.02 -0.04 -0.04 2.03 1.77 2gq8A1 PRO 236 HD2 -0.07 0.16 0.07 -0.04 3.68 3.79 2gq8A1 PRO 236 HD3 -0.12 0.14 -0.32 -0.04 3.65 3.31 2gq8A1 LEU 237 H -0.07 0.07 -0.11 -0.55 8.37 7.72 2gq8A1 LEU 237 HA -0.05 0.23 1.02 -0.75 4.35 4.80 2gq8A1 LEU 237 HB2 0.04 0.08 -0.04 -0.04 1.64 1.67 2gq8A1 LEU 237 HB3 0.01 0.00 0.02 -0.04 1.64 1.63 2gq8A1 LEU 237 HG 0.11 -0.13 -0.22 -0.04 1.64 1.35 2gq8A1 LEU 237 HD13 0.11 0.04 -0.03 -0.04 0.93 1.01 2gq8A1 LEU 237 HD23 -0.11 0.03 -0.14 -0.04 0.89 0.63 2gq8A1 THR 238 H -0.01 0.00 -0.04 -0.55 8.28 7.68 2gq8A1 THR 238 HA 0.03 0.10 0.53 -0.75 4.39 4.29 2gq8A1 THR 238 HB 0.06 -0.16 0.08 -0.04 4.32 4.26 2gq8A1 THR 238 HG23 0.04 0.03 -0.13 -0.04 1.22 1.12 2gq8A1 THR 239 H 0.05 0.04 0.19 -0.55 8.28 8.00 2gq8A1 THR 239 HA 0.03 0.33 0.80 -0.75 4.39 4.79 2gq8A1 THR 239 HB 0.03 -0.04 -0.02 -0.04 4.32 4.25 2gq8A1 THR 239 HG23 0.02 0.09 -0.21 -0.04 1.22 1.08 2gq8A1 LEU 240 H 0.07 0.01 0.11 -0.55 8.37 8.02 2gq8A1 LEU 240 HA 0.07 0.12 0.38 -0.75 4.35 4.17 2gq8A1 LEU 240 HB2 0.14 -0.04 0.20 -0.04 1.64 1.90 2gq8A1 LEU 240 HB3 0.16 -0.03 0.08 -0.04 1.64 1.80 2gq8A1 LEU 240 HG 0.15 0.09 -0.15 -0.04 1.64 1.68 2gq8A1 LEU 240 HD13 0.09 0.01 0.09 -0.04 0.93 1.07 2gq8A1 LEU 240 HD23 0.37 0.01 -0.02 -0.04 0.89 1.21 2gq8A1 ASN 241 H 0.04 -0.01 -0.31 -0.55 8.53 7.71 2gq8A1 ASN 241 HA 0.04 0.24 0.69 -0.75 4.76 4.98 2gq8A1 ASN 241 HB2 -0.09 -0.05 -0.13 -0.04 2.88 2.57 2gq8A1 ASN 241 HB3 -0.11 0.07 0.14 -0.04 2.79 2.85 2gq8A1 ASN 241 HD21 0.26 -0.08 -0.00 -0.04 7.03 7.17 2gq8A1 ASN 241 HD22 -0.21 0.51 0.11 -0.04 7.74 8.12 2gq8A1 GLY 242 H 0.02 0.49 -0.50 -0.55 8.43 7.90 2gq8A1 GLY 242 HA2 0.01 0.06 0.23 -0.51 4.01 3.80 2gq8A1 GLY 242 HA3 0.00 0.11 0.56 -0.51 4.01 4.18 2gq8A1 THR 243 H 0.01 0.02 -0.22 -0.55 8.28 7.54 2gq8A1 THR 243 HA 0.02 0.22 0.89 -0.75 4.39 4.76 2gq8A1 THR 243 HB 0.06 0.02 -0.15 -0.04 4.32 4.21 2gq8A1 THR 243 HG23 0.01 0.03 -0.27 -0.04 1.22 0.95 2gq8A1 VAL 244 H 0.03 0.25 0.05 -0.55 8.24 8.02 2gq8A1 VAL 244 HA 0.04 0.25 0.85 -0.75 4.13 4.52 2gq8A1 VAL 244 HB 0.02 -0.03 -0.03 -0.04 2.12 2.03 2gq8A1 VAL 244 HG13 0.02 0.01 -0.14 -0.04 0.97 0.82 2gq8A1 VAL 244 HG23 0.02 0.02 -0.30 -0.04 0.95 0.65 2gq8A1 ASP 245 H 0.07 0.35 0.15 -0.55 8.40 8.42 2gq8A1 ASP 245 HA 0.06 -0.06 0.97 -0.75 4.63 4.85 2gq8A1 ASP 245 HB2 0.19 0.08 0.01 -0.04 2.71 2.95 2gq8A1 ASP 245 HB3 0.16 0.12 0.07 -0.04 2.70 3.01 2gq8A1 ALA 246 H 0.03 0.09 0.16 -0.55 8.40 8.13 2gq8A1 ALA 246 HA 0.02 0.17 0.47 -0.75 4.34 4.25 2gq8A1 ALA 246 HB3 0.01 0.02 0.09 -0.04 1.41 1.49 2gq8A1 ASP 247 H 0.03 0.01 -0.19 -0.55 8.40 7.71 2gq8A1 ASP 247 HA -0.00 0.25 0.81 -0.75 4.63 4.94 2gq8A1 ASP 247 HB2 0.01 0.09 -0.10 -0.04 2.71 2.67 2gq8A1 ASP 247 HB3 0.02 -0.05 0.19 -0.04 2.70 2.82 2gq8A1 PRO 248 HA 0.26 -0.01 0.43 -0.51 4.44 4.61 2gq8A1 PRO 248 HB2 -0.03 0.05 -0.05 -0.04 2.28 2.21 2gq8A1 PRO 248 HB3 0.09 0.15 0.15 -0.04 2.02 2.37 2gq8A1 PRO 248 HG2 -0.11 -0.05 0.04 -0.04 2.03 1.87 2gq8A1 PRO 248 HG3 -0.03 0.16 0.06 -0.04 2.03 2.18 2gq8A1 PRO 248 HD2 -0.02 0.18 0.00 -0.04 3.68 3.80 2gq8A1 PRO 248 HD3 0.02 0.39 -0.25 -0.04 3.65 3.77 2gq8A1 ILE 249 H -0.13 0.16 -0.20 -0.55 8.25 7.54 2gq8A1 ILE 249 HA -0.54 0.11 0.38 -0.75 4.18 3.39 2gq8A1 ILE 249 HB -0.10 -0.03 0.05 -0.04 1.89 1.76 2gq8A1 ILE 249 HG12 -0.26 -0.02 0.04 -0.04 1.49 1.21 2gq8A1 ILE 249 HG13 -0.20 0.04 0.01 -0.04 1.21 1.02 2gq8A1 ILE 249 HG23 -0.04 0.02 -0.09 -0.04 0.93 0.78 2gq8A1 ILE 249 HD13 -1.01 0.01 -0.04 -0.04 0.88 -0.20 2gq8A1 LEU 250 H 0.00 0.10 -0.19 -0.55 8.37 7.74 2gq8A1 LEU 250 HA 0.05 0.11 0.46 -0.75 4.35 4.22 2gq8A1 LEU 250 HB2 0.02 0.01 0.09 -0.04 1.64 1.72 2gq8A1 LEU 250 HB3 0.02 0.06 0.17 -0.04 1.64 1.84 2gq8A1 LEU 250 HG 0.02 -0.00 -0.29 -0.04 1.64 1.32 2gq8A1 LEU 250 HD13 0.03 0.01 0.02 -0.04 0.93 0.95 2gq8A1 LEU 250 HD23 0.01 -0.00 0.00 -0.04 0.89 0.86 2gq8A1 THR 251 H 0.05 0.57 0.05 -0.55 8.28 8.40 2gq8A1 THR 251 HA -0.03 0.03 0.35 -0.75 4.39 3.98 2gq8A1 THR 251 HB 0.08 -0.02 0.09 -0.04 4.32 4.43 2gq8A1 THR 251 HG23 -0.33 0.02 -0.16 -0.04 1.22 0.71 2gq8A1 TYR 252 H 0.29 0.68 -0.13 -0.55 8.29 8.58 2gq8A1 TYR 252 HA 0.10 0.04 0.60 -0.75 4.56 4.55 2gq8A1 TYR 252 HB2 0.31 0.23 0.11 -0.04 3.06 3.67 2gq8A1 TYR 252 HB3 0.23 -0.01 0.01 -0.04 2.98 3.17 2gq8A1 TYR 252 HD2 0.08 0.04 0.04 -0.04 7.15 7.27 2gq8A1 TYR 252 HE2 0.06 -0.05 -0.06 -0.04 6.85 6.76 2gq8A1 THR 253 H 0.25 0.47 -0.16 -0.55 8.28 8.29 2gq8A1 THR 253 HA 0.19 0.08 0.51 -0.75 4.39 4.41 2gq8A1 THR 253 HB 0.14 0.03 0.17 -0.04 4.32 4.61 2gq8A1 THR 253 HG23 0.11 -0.00 -0.07 -0.04 1.22 1.22 2gq8A1 ALA 254 H 0.08 0.54 -0.19 -0.55 8.40 8.28 2gq8A1 ALA 254 HA 0.04 0.04 0.39 -0.75 4.34 4.06 2gq8A1 ALA 254 HB3 0.01 0.03 0.07 -0.04 1.41 1.48 2gq8A1 ALA 255 H -0.01 0.44 -0.12 -0.55 8.40 8.16 2gq8A1 ALA 255 HA -0.01 -0.00 0.40 -0.75 4.34 3.97 2gq8A1 ALA 255 HB3 -0.09 0.02 0.08 -0.04 1.41 1.37 2gq8A1 ALA 256 H 0.08 0.55 -0.30 -0.55 8.40 8.19 2gq8A1 ALA 256 HA 0.03 -0.02 0.34 -0.75 4.34 3.94 2gq8A1 ALA 256 HB3 0.10 0.05 0.06 -0.04 1.41 1.58 2gq8A1 ALA 257 H 0.08 0.46 -0.23 -0.55 8.40 8.16 2gq8A1 ALA 257 HA 0.08 0.36 0.50 -0.75 4.34 4.53 2gq8A1 ALA 257 HB3 0.05 -0.00 0.12 -0.04 1.41 1.53 2gq8A1 LEU 258 H 0.05 0.54 -0.18 -0.55 8.37 8.23 2gq8A1 LEU 258 HA 0.03 0.01 0.45 -0.75 4.35 4.09 2gq8A1 LEU 258 HB2 0.03 -0.02 0.08 -0.04 1.64 1.69 2gq8A1 LEU 258 HB3 0.04 0.13 0.19 -0.04 1.64 1.97 2gq8A1 LEU 258 HG 0.16 0.01 -0.28 -0.04 1.64 1.49 2gq8A1 LEU 258 HD13 0.05 -0.02 0.01 -0.04 0.93 0.93 2gq8A1 LEU 258 HD23 0.04 -0.03 -0.04 -0.04 0.89 0.82 2gq8A1 LEU 259 H 0.08 0.65 -0.10 -0.55 8.37 8.45 2gq8A1 LEU 259 HA 0.17 -0.02 0.43 -0.75 4.35 4.17 2gq8A1 LEU 259 HB2 0.00 0.14 0.08 -0.04 1.64 1.82 2gq8A1 LEU 259 HB3 -0.03 -0.05 -0.00 -0.04 1.64 1.52 2gq8A1 LEU 259 HG 0.01 0.19 0.04 -0.04 1.64 1.84 2gq8A1 LEU 259 HD13 -0.08 -0.03 -0.12 -0.04 0.93 0.66 2gq8A1 LEU 259 HD23 -0.08 -0.02 -0.08 -0.04 0.89 0.67 2gq8A1 ASN 260 H 0.17 0.47 -0.34 -0.55 8.53 8.29 2gq8A1 ASN 260 HA 0.23 -0.01 0.44 -0.75 4.76 4.66 2gq8A1 ASN 260 HB2 0.19 0.16 0.32 -0.04 2.88 3.50 2gq8A1 ASN 260 HB3 0.07 0.14 0.23 -0.04 2.79 3.20 2gq8A1 ASN 260 HD21 -0.05 -0.05 -0.03 -0.04 7.03 6.87 2gq8A1 ASN 260 HD22 -0.00 0.01 -0.07 -0.04 7.74 7.64 2gq8A1 LYS 261 H 0.05 0.42 -0.24 -0.55 8.42 8.09 2gq8A1 LYS 261 HA -0.02 0.03 0.43 -0.75 4.32 4.01 2gq8A1 LYS 261 HB2 -0.03 0.05 0.17 -0.04 1.87 2.02 2gq8A1 LYS 261 HB3 -0.11 0.12 0.12 -0.04 1.79 1.88 2gq8A1 LYS 261 HG2 -0.14 -0.01 -0.06 -0.04 1.46 1.21 2gq8A1 LYS 261 HG3 -0.06 -0.02 0.07 -0.04 1.46 1.41 2gq8A1 LYS 261 HD2 -0.05 -0.01 0.01 -0.04 1.69 1.59 2gq8A1 LYS 261 HD3 -0.13 -0.01 -0.01 -0.04 1.68 1.49 2gq8A1 LYS 261 HE2 -0.09 0.00 -0.02 -0.04 2.99 2.84 2gq8A1 LYS 261 HE3 -0.05 -0.00 0.00 -0.04 2.99 2.89 2gq8A1 HIS 262 H 0.11 0.29 -0.32 -0.55 8.41 7.94 2gq8A1 HIS 262 HA -0.00 0.03 0.47 -0.75 4.63 4.38 2gq8A1 HIS 262 HB2 0.00 0.10 0.11 -0.04 3.26 3.44 2gq8A1 HIS 262 HB3 -0.02 -0.05 0.00 -0.04 3.20 3.09 2gq8A1 HIS 262 HD2 -0.02 0.14 -0.10 -0.04 6.97 6.94 2gq8A1 HIS 262 HE1 -0.04 -0.03 0.00 -0.04 7.75 7.64 2gq8A1 ARG 263 H 0.10 0.31 -0.67 -0.55 8.46 7.64 2gq8A1 ARG 263 HA 0.06 0.10 0.29 -0.75 4.34 4.03 2gq8A1 ILE 264 H 0.15 0.19 -0.16 -0.55 8.25 7.88 2gq8A1 ILE 264 HA 0.03 0.10 0.46 -0.75 4.18 4.01 2gq8A1 ILE 264 HB -0.08 0.20 0.08 -0.04 1.89 2.04 2gq8A1 ILE 264 HG12 0.14 0.09 -0.09 -0.04 1.49 1.59 2gq8A1 ILE 264 HG13 0.09 -0.03 -0.34 -0.04 1.21 0.89 2gq8A1 ILE 264 HG23 -0.04 -0.03 -0.05 -0.04 0.93 0.77 2gq8A1 ILE 264 HD13 -0.21 -0.03 -0.06 -0.04 0.88 0.54 2gq8A1 VAL 265 H 0.01 0.49 0.37 -0.55 8.24 8.56 2gq8A1 VAL 265 HA 0.11 0.05 0.40 -0.75 4.13 3.94 2gq8A1 VAL 265 HB 0.09 0.03 0.15 -0.04 2.12 2.35 2gq8A1 VAL 265 HG13 0.16 0.03 -0.34 -0.04 0.97 0.78 2gq8A1 VAL 265 HG23 0.12 0.00 -0.01 -0.04 0.95 1.02 2gq8A1 TYR 266 H -0.08 0.25 0.02 -0.55 8.29 7.93 2gq8A1 TYR 266 HA 0.17 0.22 0.59 -0.75 4.56 4.79 2gq8A1 TYR 266 HB2 -0.08 0.12 -0.00 -0.04 3.06 3.06 2gq8A1 TYR 266 HB3 -0.05 0.07 -0.26 -0.04 2.98 2.69 2gq8A1 TYR 266 HD2 -0.19 0.05 -0.56 -0.04 7.15 6.41 2gq8A1 TYR 266 HE2 -0.54 -0.01 -0.31 -0.04 6.85 5.94 2gq8A1 LEU 267 H 0.04 0.70 0.28 -0.55 8.37 8.84 2gq8A1 LEU 267 HA -0.20 0.13 0.90 -0.75 4.35 4.42 2gq8A1 LEU 267 HB2 -1.38 0.02 -0.07 -0.04 1.64 0.17 2gq8A1 LEU 267 HB3 -0.60 0.05 0.07 -0.04 1.64 1.12 2gq8A1 LEU 267 HG -0.23 -0.04 -0.28 -0.04 1.64 1.05 2gq8A1 LEU 267 HD13 -0.18 0.02 -0.03 -0.04 0.93 0.70 2gq8A1 LEU 267 HD23 -0.23 0.01 -0.07 -0.04 0.89 0.57 2gq8A1 HIS 268 H 0.07 0.72 0.34 -0.55 8.41 8.99 2gq8A1 HIS 268 HA -0.20 0.26 0.91 -0.75 4.63 4.85 2gq8A1 HIS 268 HB2 0.08 0.02 -0.21 -0.04 3.26 3.12 2gq8A1 HIS 268 HB3 0.00 -0.10 0.02 -0.04 3.20 3.08 2gq8A1 HIS 268 HD2 -0.19 0.15 -0.32 -0.04 6.97 6.57 2gq8A1 HIS 268 HE1 -0.14 -0.01 -0.16 -0.04 7.75 7.40 2gq8A1 ILE 269 H -0.20 0.86 0.39 -0.55 8.25 8.75 2gq8A1 ILE 269 HA -0.14 0.19 1.03 -0.75 4.18 4.51 2gq8A1 ILE 269 HB -0.84 0.01 0.23 -0.04 1.89 1.26 2gq8A1 ILE 269 HG12 -0.50 0.08 -0.12 -0.04 1.49 0.91 2gq8A1 ILE 269 HG13 -0.57 0.03 -0.05 -0.04 1.21 0.58 2gq8A1 ILE 269 HG23 -0.04 -0.03 -0.20 -0.04 0.93 0.62 2gq8A1 ILE 269 HD13 -0.13 -0.01 -0.14 -0.04 0.88 0.56 2gq8A1 ALA 270 H -0.10 0.68 0.35 -0.55 8.40 8.79 2gq8A1 ALA 270 HA -0.07 0.10 0.75 -0.75 4.34 4.37 2gq8A1 ALA 270 HB3 -0.10 -0.02 0.10 -0.04 1.41 1.35 2gq8A1 GLU 271 H 0.08 0.66 0.40 -0.55 8.60 9.20 2gq8A1 GLU 271 HA 0.08 -0.00 0.52 -0.75 4.29 4.13 2gq8A1 GLU 271 HB2 0.27 -0.02 0.08 -0.04 2.09 2.39 2gq8A1 GLU 271 HB3 0.14 0.05 0.03 -0.04 1.99 2.17 2gq8A1 GLU 271 HG2 0.05 0.03 -0.03 -0.04 2.34 2.35 2gq8A1 GLU 271 HG3 0.14 -0.06 0.03 -0.04 2.34 2.41 2gq8A1 VAL 272 H 0.02 0.25 0.14 -0.55 8.24 8.10 2gq8A1 VAL 272 HA 0.03 0.38 0.85 -0.75 4.13 4.63 2gq8A1 VAL 272 HB -0.00 -0.24 0.03 -0.04 2.12 1.86 2gq8A1 VAL 272 HG13 0.03 -0.02 -0.41 -0.04 0.97 0.53 2gq8A1 VAL 272 HG23 -0.01 0.02 -0.31 -0.04 0.95 0.61 2gq8A1 ASP 273 H 0.06 0.62 0.08 -0.55 8.40 8.61 2gq8A1 ASP 273 HA -0.09 0.15 0.78 -0.75 4.63 4.72 2gq8A1 ASP 273 HB2 0.07 0.00 -0.05 -0.04 2.71 2.69 2gq8A1 ASP 273 HB3 0.16 -0.09 0.20 -0.04 2.70 2.92 2gq8A1 TRP 274 H -0.33 0.17 0.00 -0.55 7.97 7.27 2gq8A1 TRP 274 HA 0.08 0.07 0.33 -0.75 4.62 4.34 2gq8A1 TRP 274 HB2 0.08 0.10 0.08 -0.04 3.23 3.46 2gq8A1 TRP 274 HB3 0.09 0.04 0.17 -0.04 3.23 3.49 2gq8A1 TRP 274 HD1 0.12 -0.02 -0.16 -0.04 7.22 7.12 2gq8A1 TRP 274 HE1 0.20 0.04 -0.03 -0.04 10.20 10.36 2gq8A1 TRP 274 HE3 0.12 -0.01 0.01 -0.04 7.59 7.67 2gq8A1 TRP 274 HZ2 0.46 0.03 -0.02 -0.04 7.44 7.87 2gq8A1 TRP 274 HZ3 0.14 0.01 -0.01 -0.04 7.13 7.23 2gq8A1 TRP 274 HH2 0.18 0.07 -0.02 -0.04 7.19 7.38 2gq8A1 ASP 275 H 0.35 0.15 0.25 -0.55 8.40 8.60 2gq8A1 ASP 275 HA 0.14 0.23 0.86 -0.75 4.63 5.11 2gq8A1 ASP 275 HB2 0.13 0.01 0.09 -0.04 2.71 2.89 2gq8A1 ASP 275 HB3 0.10 0.01 0.16 -0.04 2.70 2.93 2gq8A1 ASP 276 H 0.18 0.57 0.01 -0.55 8.40 8.61 2gq8A1 ASP 276 HA 0.08 0.10 0.62 -0.75 4.63 4.67 2gq8A1 ASP 276 HB2 0.12 0.02 0.20 -0.04 2.71 3.01 2gq8A1 ASP 276 HB3 0.12 -0.02 0.35 -0.04 2.70 3.11 2gq8A1 ALA 277 H 0.05 0.29 0.01 -0.55 8.40 8.20 2gq8A1 ALA 277 HA 0.03 0.25 0.88 -0.75 4.34 4.75 2gq8A1 ALA 277 HB3 0.02 0.00 -0.05 -0.04 1.41 1.34 2gq8A1 PRO 278 HA 0.02 -0.00 0.45 -0.51 4.44 4.40 2gq8A1 PRO 278 HB2 0.02 0.11 -0.07 -0.04 2.28 2.30 2gq8A1 PRO 278 HB3 0.02 -0.00 0.01 -0.04 2.02 2.01 2gq8A1 PRO 278 HG2 0.04 0.06 -0.11 -0.04 2.03 1.97 2gq8A1 PRO 278 HG3 0.03 -0.01 -0.49 -0.04 2.03 1.51 2gq8A1 PRO 278 HD2 0.03 0.34 0.10 -0.04 3.68 4.11 2gq8A1 PRO 278 HD3 0.04 -0.05 -0.32 -0.04 3.65 3.28 2gq8A1 ASP 279 H 0.01 0.06 0.15 -0.55 8.40 8.08 2gq8A1 ASP 279 HA 0.01 0.06 0.41 -0.75 4.63 4.35 2gq8A1 THR 280 H 0.03 0.17 0.07 -0.55 8.28 8.00 2gq8A1 THR 280 HA 0.14 0.15 0.80 -0.75 4.39 4.72 2gq8A1 THR 280 HB 0.05 -0.02 0.16 -0.04 4.32 4.47 2gq8A1 THR 280 HG23 0.21 -0.01 -0.08 -0.04 1.22 1.29 2gq8A1 PRO 281 HA 0.05 0.03 0.40 -0.51 4.44 4.41 2gq8A1 PRO 281 HB2 0.15 -0.14 0.08 -0.04 2.28 2.33 2gq8A1 PRO 281 HB3 0.06 0.04 0.09 -0.04 2.02 2.17 2gq8A1 PRO 281 HG2 0.02 0.06 0.04 -0.04 2.03 2.11 2gq8A1 PRO 281 HG3 0.04 0.07 0.01 -0.04 2.03 2.10 2gq8A1 PRO 281 HD2 0.16 0.08 0.11 -0.04 3.68 3.98 2gq8A1 PRO 281 HD3 0.06 0.43 -0.18 -0.04 3.65 3.92 2gq8A1 VAL 282 H 0.03 0.18 0.20 -0.55 8.24 8.11 2gq8A1 VAL 282 HA -0.00 0.17 0.47 -0.75 4.13 4.01 2gq8A1 VAL 282 HB 0.01 -0.05 0.12 -0.04 2.12 2.17 2gq8A1 VAL 282 HG13 -0.01 0.03 -0.06 -0.04 0.97 0.90 2gq8A1 VAL 282 HG23 -0.01 0.02 0.08 -0.04 0.95 1.00 2gq8A1 SER 283 H 0.06 0.04 -0.18 -0.55 8.46 7.83 2gq8A1 SER 283 HA 0.06 0.15 0.36 -0.75 4.49 4.30 2gq8A1 SER 283 HB2 0.07 0.07 0.01 -0.04 3.95 4.05 2gq8A1 SER 283 HB3 0.05 0.03 0.07 -0.04 3.93 4.04 2gq8A1 PHE 284 H 0.22 0.11 -0.41 -0.55 8.34 7.71 2gq8A1 PHE 284 HA 0.05 0.04 0.44 -0.75 4.62 4.40 2gq8A1 PHE 284 HB2 0.04 -0.08 0.05 -0.04 3.15 3.11 2gq8A1 PHE 284 HB3 0.04 0.23 0.04 -0.04 3.06 3.32 2gq8A1 PHE 284 HD2 0.06 0.01 -0.01 -0.04 7.28 7.30 2gq8A1 PHE 284 HE2 0.05 0.01 -0.07 -0.04 7.38 7.33 2gq8A1 PHE 284 HZ 0.10 -0.02 -0.11 -0.04 7.32 7.26 2gq8A1 LYS 285 H 0.05 0.43 -0.11 -0.55 8.42 8.24 2gq8A1 LYS 285 HA -0.14 0.01 0.40 -0.75 4.32 3.84 2gq8A1 LYS 285 HB2 -0.05 0.06 0.16 -0.04 1.87 2.00 2gq8A1 LYS 285 HB3 -0.11 0.07 0.02 -0.04 1.79 1.74 2gq8A1 LYS 285 HG2 -0.06 -0.04 -0.02 -0.04 1.46 1.29 2gq8A1 LYS 285 HG3 -0.02 0.09 -0.07 -0.04 1.46 1.43 2gq8A1 LYS 285 HD2 -0.13 -0.05 -0.02 -0.04 1.69 1.45 2gq8A1 LYS 285 HD3 -0.44 0.02 -0.04 -0.04 1.68 1.18 2gq8A1 LYS 285 HE2 -0.17 -0.05 -0.04 -0.04 2.99 2.69 2gq8A1 LYS 285 HE3 -0.04 0.16 -0.02 -0.04 2.99 3.04 2gq8A1 ARG 286 H 0.02 0.49 -0.24 -0.55 8.46 8.19 2gq8A1 ARG 286 HA 0.01 0.17 0.46 -0.75 4.34 4.23 2gq8A1 ARG 286 HB2 0.03 0.01 0.12 -0.04 1.90 2.02 2gq8A1 ARG 286 HB3 0.02 -0.01 0.02 -0.04 1.80 1.79 2gq8A1 ARG 286 HG2 0.00 0.09 -0.04 -0.04 1.67 1.69 2gq8A1 ARG 286 HG3 0.01 0.08 0.01 -0.04 1.67 1.73 2gq8A1 ARG 286 HD2 0.02 -0.09 -0.03 -0.04 3.22 3.07 2gq8A1 ARG 286 HD3 0.01 0.04 -0.01 -0.04 3.22 3.22 2gq8A1 ALA 287 H 0.07 0.34 -0.23 -0.55 8.40 8.03 2gq8A1 ALA 287 HA 0.06 0.04 0.46 -0.75 4.34 4.14 2gq8A1 ALA 287 HB3 0.16 0.01 0.13 -0.04 1.41 1.66 2gq8A1 LEU 288 H -0.06 0.53 -0.12 -0.55 8.37 8.17 2gq8A1 LEU 288 HA 0.03 -0.05 0.45 -0.75 4.35 4.02 2gq8A1 LEU 288 HB2 -0.07 0.19 0.14 -0.04 1.64 1.86 2gq8A1 LEU 288 HB3 -0.04 -0.02 0.01 -0.04 1.64 1.54 2gq8A1 LEU 288 HG -0.68 0.15 0.01 -0.04 1.64 1.07 2gq8A1 LEU 288 HD13 -0.47 -0.03 -0.08 -0.04 0.93 0.31 2gq8A1 LEU 288 HD23 0.01 -0.04 -0.10 -0.04 0.89 0.72 2gq8A1 ARG 289 H 0.03 0.37 -0.30 -0.55 8.46 8.01 2gq8A1 ARG 289 HA 0.07 0.10 0.43 -0.75 4.34 4.19 2gq8A1 ARG 289 HB2 0.05 0.04 0.18 -0.04 1.90 2.13 2gq8A1 ARG 289 HB3 0.03 0.07 0.20 -0.04 1.80 2.05 2gq8A1 ARG 289 HG2 0.01 0.06 0.08 -0.04 1.67 1.78 2gq8A1 ARG 289 HG3 0.01 -0.07 -0.14 -0.04 1.67 1.43 2gq8A1 ARG 289 HD2 0.04 0.03 -0.04 -0.04 3.22 3.20 2gq8A1 ARG 289 HD3 0.01 -0.06 0.01 -0.04 3.22 3.13 2gq8A1 GLU 290 H 0.04 0.23 -0.37 -0.55 8.60 7.96 2gq8A1 GLU 290 HA 0.01 0.15 0.71 -0.75 4.29 4.41 2gq8A1 GLU 290 HB2 0.03 0.02 0.12 -0.04 2.09 2.22 2gq8A1 GLU 290 HB3 0.02 -0.09 0.01 -0.04 1.99 1.89 2gq8A1 GLU 290 HG2 0.02 0.20 0.02 -0.04 2.34 2.54 2gq8A1 GLU 290 HG3 0.02 -0.12 -0.00 -0.04 2.34 2.19 2gq8A1 ALA 291 H 0.06 0.43 -0.04 -0.55 8.40 8.30 2gq8A1 ALA 291 HA 0.05 -0.01 0.41 -0.75 4.34 4.04 2gq8A1 ALA 291 HB3 0.09 -0.04 0.09 -0.04 1.41 1.50 2gq8A1 TYR 292 H 0.13 0.67 -0.18 -0.55 8.29 8.36 2gq8A1 TYR 292 HA 0.01 0.08 0.82 -0.75 4.56 4.73 2gq8A1 TYR 292 HB2 0.01 -0.05 -0.09 -0.04 3.06 2.89 2gq8A1 TYR 292 HB3 -0.00 0.10 0.07 -0.04 2.98 3.10 2gq8A1 TYR 292 HD2 0.00 0.07 -0.19 -0.04 7.15 7.00 2gq8A1 TYR 292 HE2 0.01 0.14 -0.46 -0.04 6.85 6.50 2gq8A1 GLN 293 H -0.48 0.10 0.02 -0.55 8.47 7.55 2gq8A1 GLN 293 HA -0.22 0.37 0.94 -0.75 4.36 4.70 2gq8A1 GLN 293 HB2 -0.17 -0.06 0.05 -0.04 2.15 1.94 2gq8A1 GLN 293 HB3 -0.12 -0.02 0.16 -0.04 2.02 2.00 2gq8A1 GLN 293 HG2 -0.07 0.25 -0.29 -0.04 2.40 2.25 2gq8A1 GLN 293 HG3 -0.09 -0.04 -0.37 -0.04 2.39 1.85 2gq8A1 GLN 293 HE21 -0.02 -0.16 0.01 -0.04 6.97 6.76 2gq8A1 GLN 293 HE22 -0.02 0.46 0.06 -0.04 7.69 8.15 2gq8A1 GLY 294 H -1.78 -0.02 -0.30 -0.55 8.43 5.78 2gq8A1 GLY 294 HA2 -0.17 0.16 0.69 -0.51 4.01 4.18 2gq8A1 GLY 294 HA3 -0.21 0.10 0.25 -0.51 4.01 3.63 2gq8A1 VAL 295 H 0.17 0.47 0.21 -0.55 8.24 8.53 2gq8A1 VAL 295 HA 0.04 0.09 0.60 -0.75 4.13 4.10 2gq8A1 VAL 295 HB 0.11 0.09 0.24 -0.04 2.12 2.52 2gq8A1 VAL 295 HG13 -0.08 -0.03 -0.25 -0.04 0.97 0.56 2gq8A1 VAL 295 HG23 0.01 0.01 0.07 -0.04 0.95 1.00 2gq8A1 LEU 296 H 0.05 0.19 0.20 -0.55 8.37 8.26 2gq8A1 LEU 296 HA 0.04 0.21 0.95 -0.75 4.35 4.80 2gq8A1 LEU 296 HB2 0.17 0.16 -0.03 -0.04 1.64 1.89 2gq8A1 LEU 296 HB3 0.09 -0.09 0.19 -0.04 1.64 1.79 2gq8A1 LEU 296 HG 0.04 -0.08 -0.10 -0.04 1.64 1.46 2gq8A1 LEU 296 HD13 -0.06 0.02 -0.03 -0.04 0.93 0.82 2gq8A1 LEU 296 HD23 0.16 0.08 -0.04 -0.04 0.89 1.05 2gq8A1 ILE 297 H -0.18 0.75 0.43 -0.55 8.25 8.71 2gq8A1 ILE 297 HA -0.20 0.33 1.01 -0.75 4.18 4.57 2gq8A1 ILE 297 HB -0.57 -0.11 0.02 -0.04 1.89 1.19 2gq8A1 ILE 297 HG12 -0.39 0.04 -0.31 -0.04 1.49 0.79 2gq8A1 ILE 297 HG13 -0.35 0.03 -0.38 -0.04 1.21 0.47 2gq8A1 ILE 297 HG23 -0.64 -0.01 -0.33 -0.04 0.93 -0.10 2gq8A1 ILE 297 HD13 -1.08 -0.01 -0.29 -0.04 0.88 -0.54 2gq8A1 TYR 298 H -0.13 0.51 0.39 -0.55 8.29 8.51 2gq8A1 TYR 298 HA -0.01 0.23 1.07 -0.75 4.56 5.09 2gq8A1 TYR 298 HB2 -0.31 0.03 0.11 -0.04 3.06 2.85 2gq8A1 TYR 298 HB3 -0.02 -0.03 0.01 -0.04 2.98 2.89 2gq8A1 TYR 298 HD2 -0.03 -0.02 -0.11 -0.04 7.15 6.95 2gq8A1 TYR 298 HE2 -0.06 0.13 -0.05 -0.04 6.85 6.84 2gq8A1 ALA 299 H 0.14 0.53 0.42 -0.55 8.40 8.94 2gq8A1 ALA 299 HA -0.04 0.26 0.84 -0.75 4.34 4.65 2gq8A1 ALA 299 HB3 0.07 -0.01 -0.02 -0.04 1.41 1.41 2gq8A1 GLY 300 H 0.16 0.15 0.10 -0.55 8.43 8.30 2gq8A1 GLY 300 HA2 0.01 -0.01 0.39 -0.51 4.01 3.89 2gq8A1 GLY 300 HA3 0.06 0.13 0.86 -0.51 4.01 4.54 2gq8A1 ARG 301 H 0.01 0.08 0.16 -0.55 8.46 8.16 2gq8A1 ARG 301 HA 0.01 0.03 0.33 -0.75 4.34 3.96 2gq8A1 ARG 301 HB2 -0.11 0.18 -0.15 -0.04 1.90 1.78 2gq8A1 ARG 301 HB3 -0.06 0.01 0.19 -0.04 1.80 1.90 2gq8A1 ARG 301 HG2 -0.00 -0.08 -0.14 -0.04 1.67 1.40 2gq8A1 ARG 301 HG3 -0.00 0.05 -0.07 -0.04 1.67 1.61 2gq8A1 ARG 301 HD2 0.02 0.02 0.03 -0.04 3.22 3.25 2gq8A1 ARG 301 HD3 0.03 -0.08 0.07 -0.04 3.22 3.20 2gq8A1 TYR 302 H 0.10 -0.07 -0.21 -0.55 8.29 7.56 2gq8A1 TYR 302 HA -0.02 0.12 0.67 -0.75 4.56 4.57 2gq8A1 TYR 302 HB2 -0.47 0.02 0.05 -0.04 3.06 2.62 2gq8A1 TYR 302 HB3 -0.21 0.07 -0.08 -0.04 2.98 2.72 2gq8A1 TYR 302 HD2 -0.12 -0.22 -0.27 -0.04 7.15 6.50 2gq8A1 TYR 302 HE2 -0.07 0.00 -0.22 -0.04 6.85 6.52 2gq8A1 ASN 303 H 0.15 0.04 0.18 -0.55 8.53 8.35 2gq8A1 ASN 303 HA 0.23 0.27 0.72 -0.75 4.76 5.23 2gq8A1 ASN 303 HB2 0.06 -0.01 0.17 -0.04 2.88 3.06 2gq8A1 ASN 303 HB3 0.07 0.13 0.01 -0.04 2.79 2.96 2gq8A1 ASN 303 HD21 0.01 0.02 0.02 -0.04 7.03 7.04 2gq8A1 ASN 303 HD22 0.02 0.10 0.01 -0.04 7.74 7.83 2gq8A1 ALA 304 H 0.05 0.25 0.11 -0.55 8.40 8.26 2gq8A1 ALA 304 HA 0.11 0.11 0.36 -0.75 4.34 4.16 2gq8A1 ALA 304 HB3 -0.01 0.05 0.07 -0.04 1.41 1.49 2gq8A1 GLU 305 H 0.05 0.10 -0.10 -0.55 8.60 8.10 2gq8A1 GLU 305 HA 0.03 0.16 0.46 -0.75 4.29 4.19 2gq8A1 GLU 305 HB2 0.02 0.07 0.10 -0.04 2.09 2.23 2gq8A1 GLU 305 HB3 0.03 -0.06 0.08 -0.04 1.99 1.99 2gq8A1 GLU 305 HG2 0.01 -0.02 -0.19 -0.04 2.34 2.11 2gq8A1 GLU 305 HG3 0.01 0.06 0.04 -0.04 2.34 2.41 2gq8A1 LYS 306 H 0.08 0.04 -0.16 -0.55 8.42 7.82 2gq8A1 LYS 306 HA 0.05 0.10 0.43 -0.75 4.32 4.14 2gq8A1 LYS 306 HB2 0.07 -0.16 0.14 -0.04 1.87 1.88 2gq8A1 LYS 306 HB3 -0.03 0.08 0.03 -0.04 1.79 1.83 2gq8A1 LYS 306 HG2 -0.03 0.04 0.02 -0.04 1.46 1.45 2gq8A1 LYS 306 HG3 0.00 -0.09 0.05 -0.04 1.46 1.38 2gq8A1 LYS 306 HD2 -0.09 0.03 0.09 -0.04 1.69 1.68 2gq8A1 LYS 306 HD3 -0.18 0.06 0.02 -0.04 1.68 1.54 2gq8A1 LYS 306 HE2 -0.05 -0.01 0.00 -0.04 2.99 2.89 2gq8A1 LYS 306 HE3 -0.03 -0.04 0.01 -0.04 2.99 2.89 2gq8A1 ALA 307 H 0.20 0.47 -0.25 -0.55 8.40 8.26 2gq8A1 ALA 307 HA -0.01 0.05 0.39 -0.75 4.34 4.02 2gq8A1 ALA 307 HB3 0.14 0.03 -0.00 -0.04 1.41 1.54 2gq8A1 GLU 308 H 0.06 0.55 -0.06 -0.55 8.60 8.60 2gq8A1 GLU 308 HA -0.01 0.01 0.40 -0.75 4.29 3.93 2gq8A1 GLU 308 HB2 0.02 0.03 0.20 -0.04 2.09 2.31 2gq8A1 GLU 308 HB3 0.02 0.15 0.22 -0.04 1.99 2.34 2gq8A1 GLU 308 HG2 0.01 0.06 0.11 -0.04 2.34 2.48 2gq8A1 GLU 308 HG3 0.00 0.06 -0.10 -0.04 2.34 2.26 2gq8A1 GLN 309 H 0.03 0.52 -0.20 -0.55 8.47 8.27 2gq8A1 GLN 309 HA -0.00 0.02 0.37 -0.75 4.36 4.00 2gq8A1 GLN 309 HB2 0.01 0.07 0.12 -0.04 2.15 2.31 2gq8A1 GLN 309 HB3 0.02 0.05 0.11 -0.04 2.02 2.16 2gq8A1 GLN 309 HG2 -0.01 -0.01 -0.13 -0.04 2.40 2.22 2gq8A1 GLN 309 HG3 -0.00 -0.01 0.03 -0.04 2.39 2.37 2gq8A1 GLN 309 HE21 -0.01 -0.03 -0.03 -0.04 6.97 6.86 2gq8A1 GLN 309 HE22 -0.01 0.01 -0.05 -0.04 7.69 7.59 2gq8A1 ALA 310 H 0.02 0.53 -0.23 -0.55 8.40 8.18 2gq8A1 ALA 310 HA -0.04 -0.02 0.38 -0.75 4.34 3.90 2gq8A1 ALA 310 HB3 -0.04 0.03 0.06 -0.04 1.41 1.41 2gq8A1 ILE 311 H -0.04 0.43 -0.25 -0.55 8.25 7.84 2gq8A1 ILE 311 HA -0.05 0.33 0.57 -0.75 4.18 4.28 2gq8A1 ILE 311 HB -0.04 -0.05 0.11 -0.04 1.89 1.87 2gq8A1 ILE 311 HG12 -0.08 0.10 -0.36 -0.04 1.49 1.10 2gq8A1 ILE 311 HG13 -0.09 0.01 -0.11 -0.04 1.21 0.98 2gq8A1 ILE 311 HG23 -0.04 0.03 -0.08 -0.04 0.93 0.80 2gq8A1 ILE 311 HD13 -0.09 -0.02 -0.21 -0.04 0.88 0.52 2gq8A1 ASN 312 H -0.02 0.58 0.01 -0.55 8.53 8.56 2gq8A1 ASN 312 HA -0.02 0.08 0.45 -0.75 4.76 4.53 2gq8A1 ASN 312 HB2 -0.01 0.03 0.13 -0.04 2.88 2.99 2gq8A1 ASN 312 HB3 -0.01 -0.04 0.07 -0.04 2.79 2.77 2gq8A1 ASN 312 HD21 -0.00 -0.17 0.03 -0.04 7.03 6.85 2gq8A1 ASN 312 HD22 -0.00 -0.01 -0.05 -0.04 7.74 7.64 2gq8A1 ASP 313 H -0.02 0.47 -0.31 -0.55 8.40 7.98 2gq8A1 ASP 313 HA -0.01 0.07 0.60 -0.75 4.63 4.53 2gq8A1 ASP 313 HB2 -0.03 0.05 0.08 -0.04 2.71 2.77 2gq8A1 ASP 313 HB3 -0.02 -0.08 0.10 -0.04 2.70 2.66 2gq8A1 GLY 314 H -0.02 0.41 -0.52 -0.55 8.43 7.75 2gq8A1 GLY 314 HA2 -0.01 0.11 0.28 -0.51 4.01 3.87 2gq8A1 GLY 314 HA3 -0.01 0.03 0.44 -0.51 4.01 3.96 2gq8A1 LEU 315 H -0.04 0.38 -0.01 -0.55 8.37 8.16 2gq8A1 LEU 315 HA -0.01 0.15 0.64 -0.75 4.35 4.37 2gq8A1 LEU 315 HB2 -0.13 0.03 0.06 -0.04 1.64 1.56 2gq8A1 LEU 315 HB3 -0.18 -0.10 -0.02 -0.04 1.64 1.30 2gq8A1 LEU 315 HG -0.05 0.04 -0.17 -0.04 1.64 1.43 2gq8A1 LEU 315 HD13 -0.09 -0.05 -0.02 -0.04 0.93 0.74 2gq8A1 LEU 315 HD23 -0.03 -0.00 -0.19 -0.04 0.89 0.62 2gq8A1 ALA 316 H -0.04 0.34 0.03 -0.55 8.40 8.19 2gq8A1 ALA 316 HA 0.11 0.19 0.81 -0.75 4.34 4.69 2gq8A1 ALA 316 HB3 -0.01 -0.00 -0.14 -0.04 1.41 1.22 2gq8A1 ASP 317 H -0.01 0.65 0.39 -0.55 8.40 8.88 2gq8A1 ASP 317 HA -0.04 0.17 0.87 -0.75 4.63 4.88 2gq8A1 ASP 317 HB2 -0.04 -0.06 0.13 -0.04 2.71 2.70 2gq8A1 ASP 317 HB3 -0.04 0.03 0.05 -0.04 2.70 2.70 2gq8A1 MET 318 H -0.11 0.36 0.33 -0.55 8.47 8.50 2gq8A1 MET 318 HA -0.14 0.30 0.86 -0.75 4.52 4.78 2gq8A1 MET 318 HB2 -0.26 -0.14 -0.14 -0.04 2.15 1.57 2gq8A1 MET 318 HB3 -0.21 0.05 -0.12 -0.04 2.03 1.71 2gq8A1 MET 318 HG2 -0.13 0.16 -0.14 -0.04 2.63 2.48 2gq8A1 MET 318 HG3 -0.14 -0.11 -0.48 -0.04 2.56 1.80 2gq8A1 MET 318 HE3 -0.15 0.02 -0.28 -0.04 2.10 1.66 2gq8A1 ILE 319 H -0.19 0.75 0.35 -0.55 8.25 8.61 2gq8A1 ILE 319 HA -0.41 0.18 1.14 -0.75 4.18 4.34 2gq8A1 ILE 319 HB -0.31 -0.01 0.06 -0.04 1.89 1.59 2gq8A1 ILE 319 HG12 -0.26 0.00 -0.51 -0.04 1.49 0.68 2gq8A1 ILE 319 HG13 -0.34 -0.07 -0.05 -0.04 1.21 0.72 2gq8A1 ILE 319 HG23 -1.12 -0.02 -0.13 -0.04 0.93 -0.38 2gq8A1 ILE 319 HD13 -0.76 -0.01 0.01 -0.04 0.88 0.08 2gq8A1 GLY 320 H -0.36 0.68 0.39 -0.55 8.43 8.59 2gq8A1 GLY 320 HA2 -0.09 0.36 0.96 -0.51 4.01 4.73 2gq8A1 GLY 320 HA3 -0.14 -0.06 0.26 -0.51 4.01 3.57 2gq8A1 PHE 321 H 0.26 0.70 0.31 -0.55 8.34 9.06 2gq8A1 PHE 321 HA 0.05 -0.03 0.83 -0.75 4.62 4.71 2gq8A1 PHE 321 HB2 -0.03 0.10 0.15 -0.04 3.15 3.33 2gq8A1 PHE 321 HB3 -0.04 -0.06 -0.00 -0.04 3.06 2.92 2gq8A1 PHE 321 HD2 -0.02 0.09 -0.05 -0.04 7.28 7.26 2gq8A1 PHE 321 HE2 -0.05 -0.03 -0.38 -0.04 7.38 6.88 2gq8A1 PHE 321 HZ -0.07 -0.03 -0.22 -0.04 7.32 6.96 2gq8A1 GLY 322 H 0.07 0.00 0.09 -0.55 8.43 8.05 2gq8A1 GLY 322 HA2 0.08 0.30 0.61 -0.51 4.01 4.49 2gq8A1 GLY 322 HA3 -0.02 -0.01 0.34 -0.51 4.01 3.81 2gq8A1 ARG 323 H -0.05 0.04 0.14 -0.55 8.46 8.04 2gq8A1 ARG 323 HA -0.20 0.11 0.39 -0.75 4.34 3.89 2gq8A1 ARG 323 HB2 -0.00 -0.02 0.15 -0.04 1.90 1.98 2gq8A1 ARG 323 HB3 -0.03 0.03 0.04 -0.04 1.80 1.79 2gq8A1 ARG 323 HG2 -0.54 0.07 0.04 -0.04 1.67 1.20 2gq8A1 ARG 323 HG3 -0.25 -0.06 0.08 -0.04 1.67 1.40 2gq8A1 ARG 323 HD2 0.16 0.04 0.02 -0.04 3.22 3.40 2gq8A1 ARG 323 HD3 -0.04 0.01 0.02 -0.04 3.22 3.17 2gq8A1 PRO 324 HA 0.01 0.13 0.39 -0.51 4.44 4.45 2gq8A1 PRO 324 HB2 -0.02 0.05 -0.10 -0.04 2.28 2.17 2gq8A1 PRO 324 HB3 -0.05 0.07 0.01 -0.04 2.02 2.01 2gq8A1 PRO 324 HG2 0.16 0.10 0.01 -0.04 2.03 2.26 2gq8A1 PRO 324 HG3 0.07 0.06 -0.01 -0.04 2.03 2.11 2gq8A1 PRO 324 HD2 0.13 -0.05 -0.22 -0.04 3.68 3.50 2gq8A1 PRO 324 HD3 0.07 -0.01 0.08 -0.04 3.65 3.74 2gq8A1 PHE 325 H 0.16 0.28 -0.48 -0.55 8.34 7.75 2gq8A1 PHE 325 HA -0.04 0.15 0.46 -0.75 4.62 4.44 2gq8A1 PHE 325 HB2 0.02 0.24 0.23 -0.04 3.15 3.60 2gq8A1 PHE 325 HB3 -0.03 0.01 -0.01 -0.04 3.06 2.99 2gq8A1 PHE 325 HD2 0.01 0.12 0.17 -0.04 7.28 7.54 2gq8A1 PHE 325 HE2 0.00 0.06 -0.05 -0.04 7.38 7.36 2gq8A1 PHE 325 HZ -0.01 -0.02 -0.04 -0.04 7.32 7.22 2gq8A1 ILE 326 H 0.03 0.23 -0.30 -0.55 8.25 7.67 2gq8A1 ILE 326 HA 0.07 0.11 0.38 -0.75 4.18 3.98 2gq8A1 ILE 326 HB -0.13 0.04 0.14 -0.04 1.89 1.90 2gq8A1 ILE 326 HG12 0.05 0.06 -0.03 -0.04 1.49 1.53 2gq8A1 ILE 326 HG13 -0.03 0.07 -0.06 -0.04 1.21 1.15 2gq8A1 ILE 326 HG23 -0.07 -0.01 -0.13 -0.04 0.93 0.68 2gq8A1 ILE 326 HD13 -0.18 -0.04 -0.05 -0.04 0.88 0.57 2gq8A1 ALA 327 H -0.16 0.24 -0.26 -0.55 8.40 7.67 2gq8A1 ALA 327 HA -1.59 0.14 0.48 -0.75 4.34 2.63 2gq8A1 ALA 327 HB3 -0.16 -0.02 -0.35 -0.04 1.41 0.84 2gq8A1 ASN 328 H -0.06 0.28 -0.54 -0.55 8.53 7.67 2gq8A1 ASN 328 HA 0.03 0.22 0.80 -0.75 4.76 5.06 2gq8A1 ASN 328 HB2 -0.12 0.08 0.11 -0.04 2.88 2.91 2gq8A1 ASN 328 HB3 -0.05 -0.12 -0.09 -0.04 2.79 2.50 2gq8A1 ASN 328 HD21 -0.01 0.29 -0.06 -0.04 7.03 7.20 2gq8A1 ASN 328 HD22 -0.06 0.39 0.04 -0.04 7.74 8.08 2gq8A1 PRO 329 HA 0.19 0.15 0.40 -0.51 4.44 4.67 2gq8A1 PRO 329 HB2 0.10 0.14 -0.03 -0.04 2.28 2.44 2gq8A1 PRO 329 HB3 0.11 0.06 0.01 -0.04 2.02 2.16 2gq8A1 PRO 329 HG2 0.10 -0.18 -0.12 -0.04 2.03 1.79 2gq8A1 PRO 329 HG3 0.12 0.26 -0.13 -0.04 2.03 2.24 2gq8A1 PRO 329 HD2 0.11 0.19 -0.05 -0.04 3.68 3.89 2gq8A1 PRO 329 HD3 0.14 0.16 -0.22 -0.04 3.65 3.69 2gq8A1 ASP 330 H 0.08 0.10 -0.35 -0.55 8.40 7.69 2gq8A1 ASP 330 HA 0.10 0.25 0.76 -0.75 4.63 4.97 2gq8A1 ASP 330 HB2 0.08 -0.07 0.18 -0.04 2.71 2.87 2gq8A1 ASP 330 HB3 0.08 0.10 0.06 -0.04 2.70 2.91 2gq8A1 LEU 331 H -0.12 0.51 -0.50 -0.55 8.37 7.72 2gq8A1 LEU 331 HA -0.21 -0.03 0.24 -0.75 4.35 3.59 2gq8A1 LEU 331 HB2 -0.68 0.27 0.03 -0.04 1.64 1.22 2gq8A1 LEU 331 HB3 -1.42 0.06 0.02 -0.04 1.64 0.26 2gq8A1 LEU 331 HG -0.64 -0.06 -0.29 -0.04 1.64 0.60 2gq8A1 LEU 331 HD13 -0.31 -0.01 -0.08 -0.04 0.93 0.49 2gq8A1 LEU 331 HD23 -0.77 -0.02 -0.17 -0.04 0.89 -0.11 2gq8A1 PRO 332 HA 0.03 0.01 0.36 -0.51 4.44 4.33 2gq8A1 PRO 332 HB2 0.14 0.03 -0.03 -0.04 2.28 2.38 2gq8A1 PRO 332 HB3 0.26 0.08 -0.01 -0.04 2.02 2.30 2gq8A1 PRO 332 HG2 0.20 0.17 -0.42 -0.04 2.03 1.93 2gq8A1 PRO 332 HG3 0.01 -0.04 -0.10 -0.04 2.03 1.87 2gq8A1 PRO 332 HD2 0.06 0.11 -0.14 -0.04 3.68 3.67 2gq8A1 PRO 332 HD3 -0.35 0.13 0.01 -0.04 3.65 3.39 2gq8A1 GLU 333 H 0.05 0.20 -0.24 -0.55 8.60 8.05 2gq8A1 GLU 333 HA -0.01 0.06 0.40 -0.75 4.29 3.98 2gq8A1 GLU 333 HB2 0.07 0.03 0.10 -0.04 2.09 2.25 2gq8A1 GLU 333 HB3 0.10 0.09 0.10 -0.04 1.99 2.24 2gq8A1 GLU 333 HG2 0.15 -0.01 -0.01 -0.04 2.34 2.43 2gq8A1 GLU 333 HG3 0.16 -0.05 -0.12 -0.04 2.34 2.29 2gq8A1 ARG 334 H 0.00 0.50 -0.19 -0.55 8.46 8.23 2gq8A1 ARG 334 HA -0.03 -0.06 0.41 -0.75 4.34 3.91 2gq8A1 ARG 334 HB2 -0.09 0.08 0.06 -0.04 1.90 1.91 2gq8A1 ARG 334 HB3 -0.06 0.12 -0.12 -0.04 1.80 1.70 2gq8A1 ARG 334 HG2 0.13 -0.10 -0.05 -0.04 1.67 1.61 2gq8A1 ARG 334 HG3 0.04 0.20 -0.09 -0.04 1.67 1.79 2gq8A1 ARG 334 HD2 -0.02 -0.04 -0.11 -0.04 3.22 3.00 2gq8A1 ARG 334 HD3 -0.03 0.23 -0.15 -0.04 3.22 3.23 2gq8A1 LEU 335 H -0.10 0.68 -0.07 -0.55 8.37 8.34 2gq8A1 LEU 335 HA -0.11 -0.04 0.41 -0.75 4.35 3.85 2gq8A1 LEU 335 HB2 0.02 0.16 0.10 -0.04 1.64 1.88 2gq8A1 LEU 335 HB3 -0.07 -0.10 -0.02 -0.04 1.64 1.41 2gq8A1 LEU 335 HG -0.35 0.20 -0.04 -0.04 1.64 1.41 2gq8A1 LEU 335 HD13 -0.89 -0.02 -0.14 -0.04 0.93 -0.16 2gq8A1 LEU 335 HD23 -0.28 -0.05 -0.04 -0.04 0.89 0.48 2gq8A1 ARG 336 H -0.07 0.57 -0.15 -0.55 8.46 8.26 2gq8A1 ARG 336 HA -0.17 0.05 0.42 -0.75 4.34 3.87 2gq8A1 ARG 336 HB2 -1.14 0.05 0.10 -0.04 1.90 0.88 2gq8A1 ARG 336 HB3 -0.48 0.04 0.11 -0.04 1.80 1.43 2gq8A1 ARG 336 HG2 -0.65 -0.03 -0.08 -0.04 1.67 0.87 2gq8A1 ARG 336 HG3 -0.71 0.00 0.05 -0.04 1.67 0.97 2gq8A1 ARG 336 HD2 -0.62 -0.02 -0.00 -0.04 3.22 2.54 2gq8A1 ARG 336 HD3 -1.99 0.02 -0.00 -0.04 3.22 1.21 2gq8A1 HIS 337 H -0.28 0.44 -0.12 -0.55 8.41 7.91 2gq8A1 HIS 337 HA -0.33 0.14 0.68 -0.75 4.63 4.36 2gq8A1 HIS 337 HB2 -1.47 0.07 0.09 -0.04 3.26 1.91 2gq8A1 HIS 337 HB3 -1.21 -0.07 0.02 -0.04 3.20 1.90 2gq8A1 HIS 337 HD2 -0.32 0.19 0.07 -0.04 6.97 6.87 2gq8A1 HIS 337 HE1 -0.06 -0.04 -0.01 -0.04 7.75 7.60 2gq8A1 GLY 338 H -0.22 0.39 -0.25 -0.55 8.43 7.81 2gq8A1 GLY 338 HA2 -0.10 -0.03 0.29 -0.51 4.01 3.66 2gq8A1 GLY 338 HA3 -0.10 0.01 0.50 -0.51 4.01 3.91 2gq8A1 TYR 339 H -0.28 0.23 -0.00 -0.55 8.29 7.69 2gq8A1 TYR 339 HA -0.32 0.08 0.44 -0.75 4.56 4.00 2gq8A1 TYR 339 HB2 -0.41 -0.10 0.05 -0.04 3.06 2.56 2gq8A1 TYR 339 HB3 -1.28 0.05 -0.03 -0.04 2.98 1.68 2gq8A1 TYR 339 HD2 -0.23 0.01 -0.14 -0.04 7.15 6.75 2gq8A1 TYR 339 HE2 -0.12 -0.01 -0.07 -0.04 6.85 6.61 2gq8A1 PRO 340 HA -0.02 0.01 0.41 -0.51 4.44 4.33 2gq8A1 PRO 340 HB2 0.04 0.05 -0.07 -0.04 2.28 2.26 2gq8A1 PRO 340 HB3 0.03 0.01 0.08 -0.04 2.02 2.09 2gq8A1 PRO 340 HG2 0.14 0.01 0.01 -0.04 2.03 2.15 2gq8A1 PRO 340 HG3 0.12 0.02 0.03 -0.04 2.03 2.17 2gq8A1 PRO 340 HD2 -0.45 0.03 0.16 -0.04 3.68 3.38 2gq8A1 PRO 340 HD3 -0.00 0.16 0.18 -0.04 3.65 3.94 2gq8A1 LEU 341 H -0.00 0.07 0.12 -0.55 8.37 8.01 2gq8A1 LEU 341 HA -0.00 0.14 0.73 -0.75 4.35 4.47 2gq8A1 LEU 341 HB2 -0.00 -0.08 0.06 -0.04 1.64 1.57 2gq8A1 LEU 341 HB3 -0.02 0.12 -0.00 -0.04 1.64 1.70 2gq8A1 LEU 341 HG -0.04 -0.01 -0.01 -0.04 1.64 1.54 2gq8A1 LEU 341 HD13 -0.06 -0.03 -0.03 -0.04 0.93 0.77 2gq8A1 LEU 341 HD23 -0.09 0.03 -0.20 -0.04 0.89 0.59 2gq8A1 ALA 342 H 0.05 0.16 0.07 -0.55 8.40 8.13 2gq8A1 ALA 342 HA 0.07 0.02 0.48 -0.75 4.34 4.17 2gq8A1 ALA 342 HB3 0.12 0.07 0.05 -0.04 1.41 1.61 2gq8A1 GLU 343 H 0.08 0.14 0.15 -0.55 8.60 8.42 2gq8A1 GLU 343 HA 0.07 0.13 0.82 -0.75 4.29 4.55 2gq8A1 GLU 343 HB2 0.03 -0.03 0.06 -0.04 2.09 2.11 2gq8A1 GLU 343 HB3 -0.02 0.04 0.02 -0.04 1.99 1.99 2gq8A1 GLU 343 HG2 0.04 0.08 -0.18 -0.04 2.34 2.23 2gq8A1 GLU 343 HG3 0.02 -0.03 -0.02 -0.04 2.34 2.27 2gq8A1 HIS 344 H 0.17 0.07 0.07 -0.55 8.41 8.17 2gq8A1 HIS 344 HA 0.14 0.18 0.50 -0.75 4.63 4.70 2gq8A1 HIS 344 HB2 0.04 0.09 -0.04 -0.04 3.26 3.31 2gq8A1 HIS 344 HB3 -0.07 0.06 0.03 -0.04 3.20 3.18 2gq8A1 HIS 344 HD2 0.04 -0.00 0.02 -0.04 6.97 6.97 2gq8A1 HIS 344 HE1 0.21 -0.03 -0.08 -0.04 7.75 7.81 2gq8A1 VAL 345 H 0.36 0.24 0.07 -0.55 8.24 8.36 2gq8A1 VAL 345 HA 0.00 0.20 0.76 -0.75 4.13 4.33 2gq8A1 VAL 345 HB 0.12 0.03 0.15 -0.04 2.12 2.38 2gq8A1 VAL 345 HG13 0.04 -0.05 -0.08 -0.04 0.97 0.84 2gq8A1 VAL 345 HG23 0.07 0.03 -0.04 -0.04 0.95 0.97 2gq8A1 PRO 346 HA 0.25 0.08 0.39 -0.51 4.44 4.66 2gq8A1 PRO 346 HB2 0.07 0.01 0.05 -0.04 2.28 2.37 2gq8A1 PRO 346 HB3 0.15 0.03 0.06 -0.04 2.02 2.22 2gq8A1 PRO 346 HG2 0.02 0.04 0.07 -0.04 2.03 2.11 2gq8A1 PRO 346 HG3 0.07 0.04 0.02 -0.04 2.03 2.12 2gq8A1 PRO 346 HD2 -0.02 0.06 0.22 -0.04 3.68 3.90 2gq8A1 PRO 346 HD3 -0.22 0.47 0.22 -0.04 3.65 4.09 2gq8A1 ALA 347 H 0.06 0.09 -0.25 -0.55 8.40 7.75 2gq8A1 ALA 347 HA 0.08 0.07 0.34 -0.75 4.34 4.08 2gq8A1 ALA 347 HB3 0.04 -0.00 0.03 -0.04 1.41 1.44 2gq8A1 THR 348 H 0.08 0.34 -0.42 -0.55 8.28 7.73 2gq8A1 THR 348 HA 0.04 0.29 0.94 -0.75 4.39 4.91 2gq8A1 THR 348 HB 0.02 0.20 0.16 -0.04 4.32 4.66 2gq8A1 THR 348 HG23 0.01 -0.06 -0.21 -0.04 1.22 0.91 2gq8A1 LEU 349 H 0.00 0.35 -0.16 -0.55 8.37 8.02 2gq8A1 LEU 349 HA -0.12 0.09 0.46 -0.75 4.35 4.02 2gq8A1 LEU 349 HB2 -0.44 0.03 0.13 -0.04 1.64 1.32 2gq8A1 LEU 349 HB3 -0.85 -0.03 -0.01 -0.04 1.64 0.71 2gq8A1 LEU 349 HG 0.15 0.02 0.04 -0.04 1.64 1.80 2gq8A1 LEU 349 HD13 0.30 -0.03 0.01 -0.04 0.93 1.17 2gq8A1 LEU 349 HD23 -0.10 -0.00 -0.04 -0.04 0.89 0.70 2gq8A1 PHE 350 H 0.00 0.09 -0.17 -0.55 8.34 7.72 2gq8A1 PHE 350 HA 0.15 0.37 0.91 -0.75 4.62 5.29 2gq8A1 PHE 350 HB2 -0.17 -0.05 -0.05 -0.04 3.15 2.84 2gq8A1 PHE 350 HB3 0.00 -0.05 -0.15 -0.04 3.06 2.82 2gq8A1 PHE 350 HD2 0.22 -0.01 -0.23 -0.04 7.28 7.21 2gq8A1 PHE 350 HE2 0.28 -0.00 -0.08 -0.04 7.38 7.54 2gq8A1 PHE 350 HZ 0.69 -0.07 -0.06 -0.04 7.32 7.84 2gq8A1 GLY 351 H 0.35 0.36 0.13 -0.55 8.43 8.72 2gq8A1 GLY 351 HA2 0.08 0.25 0.45 -0.51 4.01 4.27 2gq8A1 GLY 351 HA3 0.13 -0.07 0.46 -0.51 4.01 4.02 2gq8A1 GLY 352 H -0.33 -0.01 0.18 -0.55 8.43 7.73 2gq8A1 GLY 352 HA2 -0.15 -0.08 0.37 -0.51 4.01 3.65 2gq8A1 GLY 352 HA3 -0.07 0.16 0.59 -0.51 4.01 4.18 2gq8A1 GLY 353 H -0.06 0.07 0.09 -0.55 8.43 7.98 2gq8A1 GLY 353 HA2 -0.07 0.25 0.88 -0.51 4.01 4.57 2gq8A1 GLY 353 HA3 -0.06 -0.13 0.38 -0.51 4.01 3.69 2gq8A1 GLU 354 H -0.04 0.10 0.14 -0.55 8.60 8.26 2gq8A1 GLU 354 HA -0.03 0.15 0.41 -0.75 4.29 4.07 2gq8A1 GLU 354 HB2 -0.02 0.01 0.09 -0.04 2.09 2.12 2gq8A1 GLU 354 HB3 -0.01 -0.01 0.05 -0.04 1.99 1.99 2gq8A1 GLU 354 HG2 -0.00 0.02 0.03 -0.04 2.34 2.34 2gq8A1 GLU 354 HG3 -0.02 -0.02 0.08 -0.04 2.34 2.34 2gq8A1 LYS 355 H -0.04 0.01 -0.19 -0.55 8.42 7.64 2gq8A1 LYS 355 HA -0.07 -0.01 0.49 -0.75 4.32 3.98 2gq8A1 LYS 355 HB2 -0.04 -0.01 0.09 -0.04 1.87 1.87 2gq8A1 LYS 355 HB3 -0.06 0.07 -0.02 -0.04 1.79 1.74 2gq8A1 LYS 355 HG2 -0.05 0.04 0.02 -0.04 1.46 1.43 2gq8A1 LYS 355 HG3 -0.04 -0.09 0.04 -0.04 1.46 1.32 2gq8A1 LYS 355 HD2 -0.04 -0.01 0.01 -0.04 1.69 1.62 2gq8A1 LYS 355 HD3 -0.04 0.04 -0.00 -0.04 1.68 1.64 2gq8A1 LYS 355 HE2 -0.04 0.03 0.00 -0.04 2.99 2.94 2gq8A1 LYS 355 HE3 -0.03 -0.03 0.01 -0.04 2.99 2.89 2gq8A1 GLY 356 H -0.16 0.07 0.19 -0.55 8.43 7.97 2gq8A1 GLY 356 HA2 -0.24 -0.03 0.28 -0.51 4.01 3.52 2gq8A1 GLY 356 HA3 -0.00 0.15 0.54 -0.51 4.01 4.18 2gq8A1 LEU 357 H -0.00 0.20 -0.19 -0.55 8.37 7.83 2gq8A1 LEU 357 HA 0.05 0.28 0.92 -0.75 4.35 4.85 2gq8A1 LEU 357 HB2 -0.09 0.23 -0.18 -0.04 1.64 1.56 2gq8A1 LEU 357 HB3 -0.03 -0.18 0.13 -0.04 1.64 1.51 2gq8A1 LEU 357 HG -0.18 -0.01 -0.21 -0.04 1.64 1.20 2gq8A1 LEU 357 HD13 -0.74 0.02 -0.02 -0.04 0.93 0.16 2gq8A1 LEU 357 HD23 -0.12 -0.04 -0.21 -0.04 0.89 0.47 2gq8A1 THR 358 H 0.04 0.39 0.29 -0.55 8.28 8.45 2gq8A1 THR 358 HA 0.18 0.35 0.92 -0.75 4.39 5.09 2gq8A1 THR 358 HB 0.08 0.04 0.12 -0.04 4.32 4.51 2gq8A1 THR 358 HG23 0.11 -0.01 -0.06 -0.04 1.22 1.22 2gq8A1 ASP 359 H 0.01 0.01 -0.03 -0.55 8.40 7.84 2gq8A1 ASP 359 HA 0.02 0.33 0.95 -0.75 4.63 5.18 2gq8A1 ASP 359 HB2 -0.05 0.04 0.16 -0.04 2.71 2.81 2gq8A1 ASP 359 HB3 -0.03 -0.03 -0.04 -0.04 2.70 2.55 2gq8A1 TYR 360 H 0.22 0.19 -0.36 -0.55 8.29 7.79 2gq8A1 TYR 360 HA 0.04 0.05 0.62 -0.75 4.56 4.52 2gq8A1 TYR 360 HB2 0.08 0.06 -0.00 -0.04 3.06 3.16 2gq8A1 TYR 360 HB3 0.07 0.24 -0.09 -0.04 2.98 3.16 2gq8A1 TYR 360 HD2 0.07 0.09 -0.10 -0.04 7.15 7.17 2gq8A1 TYR 360 HE2 0.07 0.22 -0.11 -0.04 6.85 6.99 2gq8A1 PRO 361 HA 0.07 0.08 0.52 -0.51 4.44 4.60 2gq8A1 PRO 361 HB2 0.02 0.16 0.06 -0.04 2.28 2.47 2gq8A1 PRO 361 HB3 0.02 -0.04 0.07 -0.04 2.02 2.03 2gq8A1 PRO 361 HG2 0.06 0.03 -0.00 -0.04 2.03 2.08 2gq8A1 PRO 361 HG3 0.02 -0.03 0.06 -0.04 2.03 2.04 2gq8A1 PRO 361 HD2 0.13 0.04 0.24 -0.04 3.68 4.05 2gq8A1 PRO 361 HD3 0.03 0.24 0.24 -0.04 3.65 4.11 2gq8A1 THR 362 H 0.04 0.06 0.13 -0.55 8.28 7.97 2gq8A1 THR 362 HA 0.09 0.03 0.56 -0.75 4.39 4.31 2gq8A1 THR 362 HB 0.06 -0.01 0.10 -0.04 4.32 4.43 2gq8A1 THR 362 HG23 0.06 0.01 0.03 -0.04 1.22 1.28 2gq8A1 TYR 363 H 0.16 0.07 0.10 -0.55 8.29 8.06 2gq8A1 TYR 363 HA -0.06 0.10 0.37 -0.75 4.56 4.22 2gq8A1 TYR 363 HB2 -0.03 0.05 0.05 -0.04 3.06 3.08 2gq8A1 TYR 363 HB3 -0.15 -0.03 0.05 -0.04 2.98 2.81 2gq8A1 TYR 363 HD2 -0.57 0.02 -0.12 -0.04 7.15 6.45 2gq8A1 TYR 363 HE2 -0.45 -0.00 -0.08 -0.04 6.85 6.27 2gq8A1 GLN 364 H -0.72 0.26 0.09 -0.55 8.47 7.56 2gq8A1 GLN 364 HA -0.41 0.10 0.75 -0.75 4.36 4.05 2gq8A1 ALA 365 H -0.47 0.18 -0.02 -0.55 8.40 7.54 2gq8A1 ALA 365 HA -0.38 0.13 0.26 -0.75 4.34 3.59 2gq8A1 ALA 365 HB3 -0.11 0.02 0.06 -0.04 1.41 1.34