============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. PHE 1 1.000 65.177 35.529 24.879 -99.200 -91.000 HIS 8 0.900 87.387 34.769 14.089 -99.200 -91.000 HIS 13 0.900 91.037 47.057 3.463 -99.200 -91.000 PHE 23 1.000 92.307 39.788 -8.407 -99.200 -91.000 TRP 29 1.040 91.097 35.352 -18.223 -99.200 -91.000 TRP6 29 1.020 90.001 34.542 -16.286 -99.200 -91.000 HIS 37 0.900 81.435 28.763 -18.891 -99.200 -91.000 TRP 45 1.040 66.009 27.331 -11.899 -99.200 -91.000 TRP6 45 1.020 65.181 27.818 -9.730 -99.200 -91.000 PHE 50 1.000 61.499 23.629 -10.664 -99.200 -91.000 PHE 59 1.000 46.830 27.889 -4.518 -99.200 -91.000 TYR 77 0.840 64.497 15.438 3.273 -99.200 -91.000 PHE 78 1.000 59.383 18.427 6.019 -99.200 -91.000 TYR 94 0.840 75.284 33.959 2.563 -99.200 -91.000 TRP 115 1.040 86.894 41.844 -11.621 -99.200 -91.000 TRP6 115 1.020 87.467 39.553 -11.679 -99.200 -91.000 TRP 118 1.040 80.286 36.087 -10.656 -99.200 -91.000 TRP6 118 1.020 79.465 34.236 -11.881 -99.200 -91.000 TRP 122 1.040 76.821 33.730 -6.884 -99.200 -91.000 TRP6 122 1.020 76.499 34.669 -4.731 -99.200 -91.000 HIS 129 0.900 69.885 28.815 -5.609 -99.200 -91.000 TYR 136 0.840 58.433 21.438 0.116 -99.200 -91.000 TYR 138 0.840 52.694 29.942 4.019 -99.200 -91.000 TYR 154 0.840 67.797 36.193 17.499 -99.200 -91.000 TYR 169 0.840 95.850 37.052 -4.799 -99.200 -91.000 PHE 172 1.000 87.113 36.426 -6.886 -99.200 -91.000 TYR 174 0.840 83.958 31.702 2.932 -99.200 -91.000 PHE 177 1.000 85.932 23.837 1.672 -99.200 -91.000 PHE 183 1.000 77.123 19.534 -7.448 -99.200 -91.000 HIS 186 0.900 70.760 23.411 -1.716 -99.200 -91.000 HIS 196 0.900 62.754 10.160 2.872 -99.200 -91.000 HIS 215 0.900 75.767 30.238 -8.615 -99.200 -91.000 TYR 219 0.840 82.559 32.962 -7.192 -99.200 -91.000 PHE 227 1.000 96.845 28.253 -6.768 -99.200 -91.000 PHE 238 1.000 93.813 25.562 -1.441 -99.200 -91.000 HIS 251 0.900 80.429 30.951 11.786 -99.200 -91.000 TYR 254 0.840 70.101 32.875 20.000 -99.200 -91.000 PHE 262 1.000 76.987 25.453 11.021 -99.200 -91.000 HIS 264 0.900 72.679 21.314 19.651 -99.200 -91.000 PHE 265 1.000 71.884 22.835 9.247 -99.200 -91.000 TYR 275 0.840 79.361 19.818 4.294 -99.200 -91.000 TYR 280 0.840 86.604 21.177 5.964 -99.200 -91.000 PHE 286 1.000 86.700 18.757 -7.947 -99.200 -91.000 TRP 291 1.040 91.930 25.979 -8.134 -99.200 -91.000 TRP6 291 1.020 91.117 26.522 -5.975 -99.200 -91.000 TYR 309 0.840 98.624 23.711 6.947 -99.200 -91.000 PHE 328 1.000 67.294 20.330 15.928 -99.200 -91.000 TRP 330 1.040 65.005 26.239 12.879 -99.200 -91.000 TRP6 330 1.020 67.026 25.275 12.098 -99.200 -91.000 PHE 332 1.000 54.913 24.212 14.642 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1oq9A1 PHE 18 HA 0.16 -0.04 0.09 -0.75 4.62 4.08 1oq9A1 PHE 18 HB2 0.14 -0.02 0.07 -0.04 3.15 3.30 1oq9A1 PHE 18 HB3 0.30 -0.02 0.11 -0.04 3.06 3.40 1oq9A1 PHE 18 HD2 0.12 -0.04 0.03 -0.04 7.28 7.34 1oq9A1 PHE 18 HE2 0.04 0.07 0.06 -0.04 7.38 7.52 1oq9A1 PHE 18 HZ 0.04 -0.03 0.03 -0.04 7.32 7.31 1oq9A1 MET 19 H -0.03 0.11 0.04 -0.55 8.47 8.04 1oq9A1 MET 19 HA 0.00 0.20 0.83 -0.75 4.52 4.80 1oq9A1 MET 19 HB2 -0.09 -0.08 0.10 -0.04 2.15 2.04 1oq9A1 MET 19 HB3 -0.09 0.13 -0.03 -0.04 2.03 1.99 1oq9A1 MET 19 HG2 0.01 0.03 -0.03 -0.04 2.63 2.60 1oq9A1 MET 19 HG3 0.03 -0.00 -0.14 -0.04 2.56 2.41 1oq9A1 MET 19 HE3 -0.01 -0.01 -0.01 -0.04 2.10 2.02 1oq9A1 PRO 20 HA -1.29 -0.01 0.45 -0.51 4.44 3.08 1oq9A1 PRO 20 HB2 -0.12 0.23 0.02 -0.04 2.28 2.37 1oq9A1 PRO 20 HB3 -0.17 -0.07 0.08 -0.04 2.02 1.81 1oq9A1 PRO 20 HG2 -0.04 0.04 0.02 -0.04 2.03 2.01 1oq9A1 PRO 20 HG3 0.15 0.03 0.06 -0.04 2.03 2.23 1oq9A1 PRO 20 HD2 -0.01 0.04 0.24 -0.04 3.68 3.90 1oq9A1 PRO 20 HD3 0.10 0.20 0.20 -0.04 3.65 4.12 1oq9A1 PRO 21 HA -0.15 0.01 0.49 -0.51 4.44 4.28 1oq9A1 PRO 21 HB2 -0.10 -0.00 -0.01 -0.04 2.28 2.13 1oq9A1 PRO 21 HB3 -0.08 -0.01 0.15 -0.04 2.02 2.04 1oq9A1 PRO 21 HG2 -0.03 0.04 0.04 -0.04 2.03 2.05 1oq9A1 PRO 21 HG3 -0.11 0.05 0.16 -0.04 2.03 2.09 1oq9A1 PRO 21 HD2 -0.13 0.37 0.15 -0.04 3.68 4.03 1oq9A1 PRO 21 HD3 -0.45 -0.01 0.22 -0.04 3.65 3.36 1oq9A1 ARG 22 H -0.09 0.10 0.17 -0.55 8.46 8.09 1oq9A1 ARG 22 HA -0.09 0.22 0.87 -0.75 4.34 4.59 1oq9A1 ARG 22 HB2 -0.07 -0.05 0.03 -0.04 1.90 1.77 1oq9A1 ARG 22 HB3 -0.07 0.10 0.01 -0.04 1.80 1.80 1oq9A1 ARG 22 HG2 -0.05 0.01 0.04 -0.04 1.67 1.63 1oq9A1 ARG 22 HG3 -0.07 0.14 -0.21 -0.04 1.67 1.49 1oq9A1 ARG 22 HD2 -0.04 -0.02 -0.01 -0.04 3.22 3.10 1oq9A1 ARG 22 HD3 -0.03 -0.02 -0.01 -0.04 3.22 3.12 1oq9A1 GLU 23 H -0.09 0.16 0.12 -0.55 8.60 8.24 1oq9A1 GLU 23 HA -0.13 0.04 0.63 -0.75 4.29 4.07 1oq9A1 GLU 23 HB2 -0.15 0.04 0.13 -0.04 2.09 2.08 1oq9A1 GLU 23 HB3 -0.44 -0.03 0.07 -0.04 1.99 1.55 1oq9A1 GLU 23 HG2 -0.06 0.07 0.05 -0.04 2.34 2.36 1oq9A1 GLU 23 HG3 -0.01 -0.03 0.06 -0.04 2.34 2.33 1oq9A1 VAL 24 H -0.28 0.11 0.19 -0.55 8.24 7.71 1oq9A1 VAL 24 HA -0.09 0.15 0.34 -0.75 4.13 3.77 1oq9A1 VAL 24 HB -0.00 -0.00 0.02 -0.04 2.12 2.10 1oq9A1 VAL 24 HG13 -0.02 -0.01 0.06 -0.04 0.97 0.97 1oq9A1 VAL 24 HG23 -0.02 0.02 0.09 -0.04 0.95 1.00 1oq9A1 HIS 25 H -0.86 0.01 -0.16 -0.55 8.41 6.85 1oq9A1 HIS 25 HA -0.00 0.17 0.80 -0.75 4.63 4.84 1oq9A1 HIS 25 HB2 -0.01 0.13 0.04 -0.04 3.26 3.38 1oq9A1 HIS 25 HB3 -0.00 0.02 0.02 -0.04 3.20 3.19 1oq9A1 HIS 25 HD2 -0.01 0.05 -0.31 -0.04 6.97 6.66 1oq9A1 HIS 25 HE1 0.03 0.07 0.04 -0.04 7.75 7.83 1oq9A1 VAL 26 H 0.09 0.10 0.13 -0.55 8.24 8.01 1oq9A1 VAL 26 HA 0.03 0.10 0.61 -0.75 4.13 4.12 1oq9A1 VAL 26 HB 0.03 -0.02 0.02 -0.04 2.12 2.11 1oq9A1 VAL 26 HG13 0.01 0.03 0.00 -0.04 0.97 0.97 1oq9A1 VAL 26 HG23 0.02 0.01 0.04 -0.04 0.95 0.98 1oq9A1 GLN 27 H 0.03 0.14 0.14 -0.55 8.47 8.23 1oq9A1 GLN 27 HA 0.06 0.10 0.62 -0.75 4.36 4.39 1oq9A1 GLN 27 HB2 -0.00 -0.01 0.04 -0.04 2.15 2.14 1oq9A1 GLN 27 HB3 0.01 -0.02 0.02 -0.04 2.02 1.98 1oq9A1 GLN 27 HG2 0.05 0.09 -0.11 -0.04 2.40 2.40 1oq9A1 GLN 27 HG3 0.01 0.01 0.07 -0.04 2.39 2.44 1oq9A1 GLN 27 HE21 0.00 0.00 -0.00 -0.04 6.97 6.93 1oq9A1 GLN 27 HE22 -0.02 0.10 -0.01 -0.04 7.69 7.72 1oq9A1 VAL 28 H -0.03 0.15 0.16 -0.55 8.24 7.98 1oq9A1 VAL 28 HA -0.03 0.19 0.88 -0.75 4.13 4.42 1oq9A1 VAL 28 HB -0.06 -0.06 0.03 -0.04 2.12 1.99 1oq9A1 VAL 28 HG13 -0.04 0.02 -0.14 -0.04 0.97 0.77 1oq9A1 VAL 28 HG23 -0.03 0.04 -0.15 -0.04 0.95 0.78 1oq9A1 THR 29 H -0.05 0.24 0.12 -0.55 8.28 8.04 1oq9A1 THR 29 HA -0.23 0.05 0.88 -0.75 4.39 4.34 1oq9A1 THR 29 HB -0.60 0.01 0.01 -0.04 4.32 3.71 1oq9A1 THR 29 HG23 -0.12 0.01 -0.18 -0.04 1.22 0.89 1oq9A1 HIS 30 H -0.42 0.06 -0.12 -0.55 8.41 7.38 1oq9A1 HIS 30 HA -0.05 0.02 0.40 -0.75 4.63 4.24 1oq9A1 HIS 30 HB2 -0.03 0.09 -0.03 -0.04 3.26 3.24 1oq9A1 HIS 30 HB3 -0.04 0.06 0.09 -0.04 3.20 3.26 1oq9A1 HIS 30 HD2 -0.03 0.02 -0.13 -0.04 6.97 6.79 1oq9A1 HIS 30 HE1 -0.04 0.07 0.03 -0.04 7.75 7.76 1oq9A1 SER 31 H -0.04 0.43 0.11 -0.55 8.46 8.40 1oq9A1 SER 31 HA -0.02 0.14 0.50 -0.75 4.49 4.35 1oq9A1 SER 31 HB2 -0.05 0.02 0.01 -0.04 3.95 3.89 1oq9A1 SER 31 HB3 -0.06 -0.01 0.03 -0.04 3.93 3.86 1oq9A1 MET 32 H -0.01 0.01 -0.16 -0.55 8.47 7.77 1oq9A1 MET 32 HA -0.06 0.14 0.56 -0.75 4.52 4.40 1oq9A1 MET 32 HB2 -0.00 -0.12 0.06 -0.04 2.15 2.04 1oq9A1 MET 32 HB3 0.01 -0.01 0.00 -0.04 2.03 1.99 1oq9A1 MET 32 HG2 0.01 0.17 -0.02 -0.04 2.63 2.74 1oq9A1 MET 32 HG3 0.06 -0.08 0.01 -0.04 2.56 2.51 1oq9A1 MET 32 HE3 0.42 -0.03 0.01 -0.04 2.10 2.47 1oq9A1 PRO 33 HA -0.02 0.18 0.54 -0.51 4.44 4.62 1oq9A1 PRO 33 HB2 -0.02 -0.03 -0.12 -0.04 2.28 2.07 1oq9A1 PRO 33 HB3 -0.02 0.03 0.05 -0.04 2.02 2.04 1oq9A1 PRO 33 HG2 -0.05 0.01 0.06 -0.04 2.03 2.01 1oq9A1 PRO 33 HG3 -0.04 0.10 0.07 -0.04 2.03 2.12 1oq9A1 PRO 33 HD2 -0.06 0.02 0.17 -0.04 3.68 3.76 1oq9A1 PRO 33 HD3 -0.07 0.26 0.24 -0.04 3.65 4.04 1oq9A1 PRO 34 HA -0.02 0.07 0.45 -0.51 4.44 4.43 1oq9A1 PRO 34 HB2 -0.03 0.01 0.00 -0.04 2.28 2.22 1oq9A1 PRO 34 HB3 -0.05 0.09 0.12 -0.04 2.02 2.14 1oq9A1 PRO 34 HG2 -0.02 -0.05 0.11 -0.04 2.03 2.03 1oq9A1 PRO 34 HG3 -0.04 0.10 0.09 -0.04 2.03 2.14 1oq9A1 PRO 34 HD2 -0.02 0.08 0.23 -0.04 3.68 3.93 1oq9A1 PRO 34 HD3 -0.03 0.28 0.20 -0.04 3.65 4.06 1oq9A1 GLN 35 H -0.01 0.19 -0.15 -0.55 8.47 7.95 1oq9A1 GLN 35 HA 0.00 0.06 0.72 -0.75 4.36 4.38 1oq9A1 GLN 35 HB2 -0.01 0.01 0.12 -0.04 2.15 2.23 1oq9A1 GLN 35 HB3 -0.01 0.04 0.21 -0.04 2.02 2.22 1oq9A1 GLN 35 HG2 -0.00 -0.02 0.02 -0.04 2.40 2.35 1oq9A1 GLN 35 HG3 -0.00 0.01 0.05 -0.04 2.39 2.41 1oq9A1 GLN 35 HE21 -0.01 0.02 0.02 -0.04 6.97 6.96 1oq9A1 GLN 35 HE22 -0.01 -0.01 0.01 -0.04 7.69 7.65 1oq9A1 LYS 36 H 0.02 -0.10 0.05 -0.55 8.42 7.84 1oq9A1 LYS 36 HA 0.02 0.04 0.46 -0.75 4.32 4.09 1oq9A1 LYS 36 HB2 0.01 0.06 -0.58 -0.04 1.87 1.31 1oq9A1 LYS 36 HB3 0.06 0.15 -0.15 -0.04 1.79 1.81 1oq9A1 LYS 36 HG2 0.06 -0.09 0.15 -0.04 1.46 1.54 1oq9A1 LYS 36 HG3 -0.00 0.06 0.10 -0.04 1.46 1.58 1oq9A1 LYS 36 HD2 0.02 0.04 -0.00 -0.04 1.69 1.70 1oq9A1 LYS 36 HD3 0.08 -0.06 0.03 -0.04 1.68 1.70 1oq9A1 LYS 36 HE2 -0.06 0.02 0.04 -0.04 2.99 2.95 1oq9A1 LYS 36 HE3 -0.09 0.03 0.04 -0.04 2.99 2.93 1oq9A1 ILE 37 H 0.04 0.21 0.24 -0.55 8.25 8.19 1oq9A1 ILE 37 HA 0.13 0.07 0.72 -0.75 4.18 4.35 1oq9A1 ILE 37 HB 0.02 0.14 0.27 -0.04 1.89 2.29 1oq9A1 ILE 37 HG12 -0.02 -0.02 -0.13 -0.04 1.49 1.28 1oq9A1 ILE 37 HG13 0.02 -0.02 0.03 -0.04 1.21 1.20 1oq9A1 ILE 37 HG23 0.03 0.00 -0.06 -0.04 0.93 0.87 1oq9A1 ILE 37 HD13 -0.02 0.05 0.09 -0.04 0.88 0.96 1oq9A1 GLU 38 H 0.04 0.07 0.00 -0.55 8.60 8.16 1oq9A1 GLU 38 HA 0.05 0.07 0.32 -0.75 4.29 3.98 1oq9A1 GLU 38 HB2 0.01 -0.01 0.03 -0.04 2.09 2.08 1oq9A1 GLU 38 HB3 0.01 0.07 -0.05 -0.04 1.99 1.99 1oq9A1 GLU 38 HG2 0.02 -0.02 0.08 -0.04 2.34 2.37 1oq9A1 GLU 38 HG3 0.01 0.07 0.02 -0.04 2.34 2.40 1oq9A1 ILE 39 H -0.01 0.16 -0.50 -0.55 8.25 7.35 1oq9A1 ILE 39 HA -0.10 0.09 0.40 -0.75 4.18 3.81 1oq9A1 ILE 39 HB -0.14 0.01 0.05 -0.04 1.89 1.77 1oq9A1 ILE 39 HG12 -0.69 0.00 -0.16 -0.04 1.49 0.60 1oq9A1 ILE 39 HG13 -0.29 -0.01 0.00 -0.04 1.21 0.87 1oq9A1 ILE 39 HG23 -0.34 0.07 0.02 -0.04 0.93 0.64 1oq9A1 ILE 39 HD13 -0.21 0.01 -0.02 -0.04 0.88 0.61 1oq9A1 PHE 40 H 0.08 0.30 -0.11 -0.55 8.34 8.06 1oq9A1 PHE 40 HA 0.15 0.09 0.47 -0.75 4.62 4.57 1oq9A1 PHE 40 HB2 -0.19 0.09 0.13 -0.04 3.15 3.14 1oq9A1 PHE 40 HB3 -0.49 0.04 -0.05 -0.04 3.06 2.52 1oq9A1 PHE 40 HD2 -0.36 0.05 0.04 -0.04 7.28 6.97 1oq9A1 PHE 40 HE2 -0.23 0.04 -0.03 -0.04 7.38 7.12 1oq9A1 PHE 40 HZ -0.82 -0.01 -0.10 -0.04 7.32 6.35 1oq9A1 LYS 41 H 0.18 0.36 -0.04 -0.55 8.42 8.37 1oq9A1 LYS 41 HA 0.27 0.04 0.55 -0.75 4.32 4.42 1oq9A1 LYS 41 HB2 0.10 -0.02 0.14 -0.04 1.87 2.05 1oq9A1 LYS 41 HB3 0.10 0.00 -0.01 -0.04 1.79 1.85 1oq9A1 LYS 41 HG2 0.14 0.03 0.09 -0.04 1.46 1.69 1oq9A1 LYS 41 HG3 0.09 -0.02 -0.02 -0.04 1.46 1.47 1oq9A1 LYS 41 HD2 0.08 0.00 0.02 -0.04 1.69 1.74 1oq9A1 LYS 41 HD3 0.09 -0.01 0.04 -0.04 1.68 1.76 1oq9A1 LYS 41 HE2 0.05 0.02 0.01 -0.04 2.99 3.03 1oq9A1 LYS 41 HE3 0.05 -0.04 -0.02 -0.04 2.99 2.94 1oq9A1 SER 42 H 0.09 0.59 -0.20 -0.55 8.46 8.39 1oq9A1 SER 42 HA 0.07 0.04 0.57 -0.75 4.49 4.42 1oq9A1 SER 42 HB2 0.00 0.09 0.07 -0.04 3.95 4.07 1oq9A1 SER 42 HB3 0.02 -0.06 0.14 -0.04 3.93 3.99 1oq9A1 LEU 43 H 0.21 0.24 -0.55 -0.55 8.37 7.72 1oq9A1 LEU 43 HA 0.10 0.10 0.75 -0.75 4.35 4.55 1oq9A1 LEU 43 HB2 0.28 0.06 0.22 -0.04 1.64 2.16 1oq9A1 LEU 43 HB3 0.36 -0.10 0.15 -0.04 1.64 2.01 1oq9A1 LEU 43 HG -0.17 0.15 -0.01 -0.04 1.64 1.56 1oq9A1 LEU 43 HD13 -0.40 -0.02 -0.08 -0.04 0.93 0.39 1oq9A1 LEU 43 HD23 -0.37 -0.01 0.03 -0.04 0.89 0.50 1oq9A1 ASP 44 H 0.17 0.32 -0.42 -0.55 8.40 7.92 1oq9A1 ASP 44 HA -0.20 0.02 0.34 -0.75 4.63 4.04 1oq9A1 ASP 44 HB2 0.14 0.32 0.22 -0.04 2.71 3.35 1oq9A1 ASP 44 HB3 0.04 0.00 0.11 -0.04 2.70 2.81 1oq9A1 ASN 45 H 0.05 0.21 -0.06 -0.55 8.53 8.18 1oq9A1 ASN 45 HA -0.03 0.07 0.48 -0.75 4.76 4.53 1oq9A1 ASN 45 HB2 0.06 0.04 0.09 -0.04 2.88 3.02 1oq9A1 ASN 45 HB3 0.01 0.04 0.03 -0.04 2.79 2.83 1oq9A1 ASN 45 HD21 0.03 0.01 0.04 -0.04 7.03 7.07 1oq9A1 ASN 45 HD22 0.04 0.05 0.05 -0.04 7.74 7.83 1oq9A1 TRP 46 H 0.20 0.14 -0.29 -0.55 7.97 7.48 1oq9A1 TRP 46 HA -0.07 0.06 0.35 -0.75 4.62 4.21 1oq9A1 TRP 46 HB2 -0.04 -0.00 0.10 -0.04 3.23 3.24 1oq9A1 TRP 46 HB3 -0.06 0.19 0.13 -0.04 3.23 3.46 1oq9A1 TRP 46 HD1 -0.04 -0.01 0.01 -0.04 7.22 7.14 1oq9A1 TRP 46 HE1 -0.04 0.03 -0.03 -0.04 10.20 10.12 1oq9A1 TRP 46 HE3 -0.12 0.04 -0.17 -0.04 7.59 7.29 1oq9A1 TRP 46 HZ2 -0.06 0.05 -0.05 -0.04 7.44 7.34 1oq9A1 TRP 46 HZ3 -0.07 -0.02 -0.09 -0.04 7.13 6.90 1oq9A1 TRP 46 HH2 -0.09 0.10 -0.29 -0.04 7.19 6.87 1oq9A1 ALA 47 H 0.03 0.48 -0.16 -0.55 8.40 8.21 1oq9A1 ALA 47 HA -0.49 0.04 0.38 -0.75 4.34 3.52 1oq9A1 ALA 47 HB3 -0.71 0.03 0.04 -0.04 1.41 0.73 1oq9A1 GLU 48 H -0.21 0.38 -0.28 -0.55 8.60 7.95 1oq9A1 GLU 48 HA -0.15 -0.00 0.58 -0.75 4.29 3.96 1oq9A1 GLU 48 HB2 -0.11 0.12 0.28 -0.04 2.09 2.34 1oq9A1 GLU 48 HB3 -0.10 0.03 0.03 -0.04 1.99 1.91 1oq9A1 GLU 48 HG2 -0.08 -0.03 0.09 -0.04 2.34 2.28 1oq9A1 GLU 48 HG3 -0.08 -0.04 0.06 -0.04 2.34 2.24 1oq9A1 GLU 49 H -0.25 0.44 -0.08 -0.55 8.60 8.16 1oq9A1 GLU 49 HA -0.16 0.08 0.33 -0.75 4.29 3.78 1oq9A1 GLU 49 HB2 -0.28 0.07 0.09 -0.04 2.09 1.93 1oq9A1 GLU 49 HB3 -0.17 -0.01 0.09 -0.04 1.99 1.85 1oq9A1 GLU 49 HG2 -0.09 -0.02 -0.02 -0.04 2.34 2.17 1oq9A1 GLU 49 HG3 -0.11 0.13 0.06 -0.04 2.34 2.38 1oq9A1 ASN 50 H -0.57 0.06 -0.31 -0.55 8.53 7.16 1oq9A1 ASN 50 HA -0.43 0.23 0.95 -0.75 4.76 4.75 1oq9A1 ASN 50 HB2 -1.85 0.01 -0.04 -0.04 2.88 0.96 1oq9A1 ASN 50 HB3 -0.84 -0.00 0.02 -0.04 2.79 1.93 1oq9A1 ASN 50 HD21 -0.75 -0.07 -0.05 -0.04 7.03 6.12 1oq9A1 ASN 50 HD22 -2.17 0.24 0.03 -0.04 7.74 5.81 1oq9A1 ILE 51 H -0.47 0.30 0.08 -0.55 8.25 7.61 1oq9A1 ILE 51 HA -0.43 0.23 0.99 -0.75 4.18 4.22 1oq9A1 ILE 51 HB -0.43 0.09 0.18 -0.04 1.89 1.69 1oq9A1 ILE 51 HG12 -0.58 -0.11 -0.08 -0.04 1.49 0.68 1oq9A1 ILE 51 HG13 -0.31 -0.04 -0.01 -0.04 1.21 0.80 1oq9A1 ILE 51 HG23 -1.01 -0.01 -0.04 -0.04 0.93 -0.17 1oq9A1 ILE 51 HD13 -0.35 0.09 -0.13 -0.04 0.88 0.45 1oq9A1 LEU 52 H -0.19 0.51 0.29 -0.55 8.37 8.44 1oq9A1 LEU 52 HA 0.17 0.09 0.43 -0.75 4.35 4.29 1oq9A1 LEU 52 HB2 -0.07 0.12 0.26 -0.04 1.64 1.92 1oq9A1 LEU 52 HB3 0.02 -0.02 0.13 -0.04 1.64 1.74 1oq9A1 LEU 52 HG -0.06 0.03 -0.01 -0.04 1.64 1.56 1oq9A1 LEU 52 HD13 -0.02 -0.03 0.03 -0.04 0.93 0.86 1oq9A1 LEU 52 HD23 0.24 -0.00 -0.10 -0.04 0.89 0.99 1oq9A1 VAL 53 H -0.06 0.09 -0.45 -0.55 8.24 7.27 1oq9A1 VAL 53 HA 0.02 0.16 0.82 -0.75 4.13 4.38 1oq9A1 VAL 53 HB 0.01 -0.03 0.09 -0.04 2.12 2.14 1oq9A1 VAL 53 HG13 -0.05 0.06 0.00 -0.04 0.97 0.94 1oq9A1 VAL 53 HG23 0.02 -0.01 -0.29 -0.04 0.95 0.63 1oq9A1 HIS 54 H 0.15 0.26 -0.49 -0.55 8.41 7.79 1oq9A1 HIS 54 HA 0.03 0.14 0.64 -0.75 4.63 4.69 1oq9A1 HIS 54 HB2 -0.03 0.13 0.05 -0.04 3.26 3.36 1oq9A1 HIS 54 HB3 0.07 -0.04 0.20 -0.04 3.20 3.38 1oq9A1 HIS 54 HD2 0.01 -0.03 0.03 -0.04 6.97 6.94 1oq9A1 HIS 54 HE1 -0.04 -0.03 -0.04 -0.04 7.75 7.59 1oq9A1 LEU 55 H 0.12 0.21 -0.67 -0.55 8.37 7.48 1oq9A1 LEU 55 HA 0.19 0.14 0.86 -0.75 4.35 4.79 1oq9A1 LEU 55 HB2 0.14 0.12 -0.03 -0.04 1.64 1.83 1oq9A1 LEU 55 HB3 0.07 0.00 -0.20 -0.04 1.64 1.48 1oq9A1 LEU 55 HG 0.49 0.04 -0.15 -0.04 1.64 1.98 1oq9A1 LEU 55 HD13 0.10 -0.02 -0.06 -0.04 0.93 0.90 1oq9A1 LEU 55 HD23 -0.08 0.01 -0.05 -0.04 0.89 0.73 1oq9A1 LYS 56 H 0.06 0.14 0.04 -0.55 8.42 8.11 1oq9A1 LYS 56 HA 0.02 0.15 0.60 -0.75 4.32 4.34 1oq9A1 LYS 56 HB2 0.05 -0.02 0.05 -0.04 1.87 1.90 1oq9A1 LYS 56 HB3 0.01 -0.01 -0.03 -0.04 1.79 1.72 1oq9A1 LYS 56 HG2 0.02 0.05 -0.18 -0.04 1.46 1.31 1oq9A1 LYS 56 HG3 0.02 -0.00 -0.01 -0.04 1.46 1.43 1oq9A1 LYS 56 HD2 0.06 -0.03 -0.04 -0.04 1.69 1.65 1oq9A1 LYS 56 HD3 0.08 0.01 -0.08 -0.04 1.68 1.65 1oq9A1 LYS 56 HE2 0.04 -0.01 -0.03 -0.04 2.99 2.95 1oq9A1 LYS 56 HE3 0.04 -0.02 -0.04 -0.04 2.99 2.93 1oq9A1 PRO 57 HA -0.01 0.06 0.48 -0.51 4.44 4.46 1oq9A1 PRO 57 HB2 -0.01 -0.11 -0.01 -0.04 2.28 2.12 1oq9A1 PRO 57 HB3 -0.01 0.01 0.09 -0.04 2.02 2.07 1oq9A1 PRO 57 HG2 0.00 0.03 0.07 -0.04 2.03 2.09 1oq9A1 PRO 57 HG3 0.00 0.10 0.08 -0.04 2.03 2.17 1oq9A1 PRO 57 HD2 0.01 0.06 0.18 -0.04 3.68 3.88 1oq9A1 PRO 57 HD3 0.01 0.38 0.30 -0.04 3.65 4.30 1oq9A1 VAL 58 H -0.03 0.13 0.15 -0.55 8.24 7.94 1oq9A1 VAL 58 HA -0.07 0.15 0.30 -0.75 4.13 3.76 1oq9A1 VAL 58 HB -0.04 -0.07 0.13 -0.04 2.12 2.10 1oq9A1 VAL 58 HG13 -0.06 0.02 -0.10 -0.04 0.97 0.78 1oq9A1 VAL 58 HG23 -0.06 0.02 0.07 -0.04 0.95 0.94 1oq9A1 GLU 59 H -0.02 0.03 -0.13 -0.55 8.60 7.93 1oq9A1 GLU 59 HA -0.02 0.07 0.30 -0.75 4.29 3.89 1oq9A1 GLU 59 HB2 -0.01 -0.04 0.00 -0.04 2.09 2.00 1oq9A1 GLU 59 HB3 -0.01 0.05 -0.03 -0.04 1.99 1.96 1oq9A1 GLU 59 HG2 -0.02 -0.06 0.04 -0.04 2.34 2.26 1oq9A1 GLU 59 HG3 -0.01 0.01 0.01 -0.04 2.34 2.31 1oq9A1 LYS 60 H -0.01 0.23 -0.53 -0.55 8.42 7.56 1oq9A1 LYS 60 HA 0.02 0.12 0.68 -0.75 4.32 4.39 1oq9A1 LYS 60 HB2 0.01 0.10 -0.01 -0.04 1.87 1.93 1oq9A1 LYS 60 HB3 0.03 -0.03 0.10 -0.04 1.79 1.85 1oq9A1 LYS 60 HG2 0.01 -0.03 -0.19 -0.04 1.46 1.21 1oq9A1 LYS 60 HG3 0.00 -0.04 -0.04 -0.04 1.46 1.33 1oq9A1 LYS 60 HD2 0.01 0.01 -0.00 -0.04 1.69 1.66 1oq9A1 LYS 60 HD3 0.02 0.02 0.00 -0.04 1.68 1.67 1oq9A1 LYS 60 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.93 1oq9A1 LYS 60 HE3 0.01 -0.01 -0.06 -0.04 2.99 2.89 1oq9A1 CYS 61 H -0.03 0.51 -0.25 -0.55 8.50 8.19 1oq9A1 CYS 61 HA 0.01 0.00 0.58 -0.75 4.58 4.42 1oq9A1 CYS 61 HB2 -0.12 0.15 0.15 -0.04 2.97 3.11 1oq9A1 CYS 61 HB3 -0.29 0.10 0.01 -0.04 2.97 2.75 1oq9A1 TRP 62 H 0.20 0.07 0.15 -0.55 7.97 7.84 1oq9A1 TRP 62 HA 0.03 0.07 0.60 -0.75 4.62 4.57 1oq9A1 TRP 62 HB2 0.23 -0.01 0.05 -0.04 3.23 3.47 1oq9A1 TRP 62 HB3 0.13 0.03 0.10 -0.04 3.23 3.44 1oq9A1 TRP 62 HD1 0.08 0.02 0.06 -0.04 7.22 7.33 1oq9A1 TRP 62 HE1 0.05 0.06 -0.03 -0.04 10.20 10.23 1oq9A1 TRP 62 HE3 0.31 0.07 -0.61 -0.04 7.59 7.32 1oq9A1 TRP 62 HZ2 0.09 0.02 -0.15 -0.04 7.44 7.36 1oq9A1 TRP 62 HZ3 0.14 -0.05 -0.28 -0.04 7.13 6.89 1oq9A1 TRP 62 HH2 0.08 -0.00 -0.29 -0.04 7.19 6.94 1oq9A1 GLN 63 H 0.32 0.14 0.17 -0.55 8.47 8.56 1oq9A1 GLN 63 HA -0.14 0.27 0.77 -0.75 4.36 4.50 1oq9A1 GLN 63 HB2 0.07 -0.09 0.04 -0.04 2.15 2.13 1oq9A1 GLN 63 HB3 0.02 -0.03 0.09 -0.04 2.02 2.06 1oq9A1 GLN 63 HG2 -0.03 0.13 -0.33 -0.04 2.40 2.14 1oq9A1 GLN 63 HG3 -0.03 -0.04 -0.05 -0.04 2.39 2.23 1oq9A1 GLN 63 HE21 -0.15 -0.05 -0.04 -0.04 6.97 6.69 1oq9A1 GLN 63 HE22 -0.09 0.08 -0.11 -0.04 7.69 7.52 1oq9A1 PRO 64 HA 0.58 0.10 0.35 -0.51 4.44 4.96 1oq9A1 PRO 64 HB2 0.16 0.02 -0.01 -0.04 2.28 2.40 1oq9A1 PRO 64 HB3 0.24 0.04 0.00 -0.04 2.02 2.26 1oq9A1 PRO 64 HG2 0.08 0.03 0.08 -0.04 2.03 2.18 1oq9A1 PRO 64 HG3 0.25 0.19 0.14 -0.04 2.03 2.57 1oq9A1 PRO 64 HD2 0.04 0.09 0.19 -0.04 3.68 3.96 1oq9A1 PRO 64 HD3 -0.09 0.21 0.21 -0.04 3.65 3.93 1oq9A1 GLN 65 H 0.13 0.09 -0.31 -0.55 8.47 7.84 1oq9A1 GLN 65 HA 0.11 0.10 0.30 -0.75 4.36 4.12 1oq9A1 GLN 65 HB2 0.06 -0.02 0.05 -0.04 2.15 2.20 1oq9A1 GLN 65 HB3 0.05 0.01 -0.03 -0.04 2.02 2.01 1oq9A1 GLN 65 HG2 0.02 -0.03 -0.01 -0.04 2.40 2.34 1oq9A1 GLN 65 HG3 0.03 0.02 -0.07 -0.04 2.39 2.33 1oq9A1 GLN 65 HE21 0.11 0.42 -0.25 -0.04 6.97 7.21 1oq9A1 GLN 65 HE22 0.06 -0.00 -0.07 -0.04 7.69 7.64 1oq9A1 ASP 66 H 0.11 0.41 -0.31 -0.55 8.40 8.06 1oq9A1 ASP 66 HA -0.13 0.02 0.38 -0.75 4.63 4.15 1oq9A1 ASP 66 HB2 -0.30 0.13 0.08 -0.04 2.71 2.59 1oq9A1 ASP 66 HB3 -0.60 -0.01 0.06 -0.04 2.70 2.10 1oq9A1 PHE 67 H 0.17 0.46 -0.33 -0.55 8.34 8.09 1oq9A1 PHE 67 HA 0.01 0.16 0.82 -0.75 4.62 4.86 1oq9A1 PHE 67 HB2 -0.01 0.05 0.01 -0.04 3.15 3.16 1oq9A1 PHE 67 HB3 -0.06 -0.03 0.12 -0.04 3.06 3.04 1oq9A1 PHE 67 HD2 -0.05 0.03 -0.09 -0.04 7.28 7.12 1oq9A1 PHE 67 HE2 -0.27 -0.03 -0.11 -0.04 7.38 6.92 1oq9A1 PHE 67 HZ -0.32 -0.01 -0.06 -0.04 7.32 6.88 1oq9A1 LEU 68 H 0.12 0.36 -0.16 -0.55 8.37 8.14 1oq9A1 LEU 68 HA 0.17 0.17 0.85 -0.75 4.35 4.79 1oq9A1 LEU 68 HB2 0.15 -0.03 -0.01 -0.04 1.64 1.70 1oq9A1 LEU 68 HB3 0.17 0.05 -0.00 -0.04 1.64 1.81 1oq9A1 LEU 68 HG 0.21 0.01 -0.23 -0.04 1.64 1.59 1oq9A1 LEU 68 HD13 0.16 -0.04 -0.17 -0.04 0.93 0.84 1oq9A1 LEU 68 HD23 0.21 0.03 -0.09 -0.04 0.89 1.00 1oq9A1 PRO 69 HA 0.12 -0.02 0.44 -0.51 4.44 4.46 1oq9A1 PRO 69 HB2 0.23 0.01 -0.05 -0.04 2.28 2.42 1oq9A1 PRO 69 HB3 0.03 -0.02 -0.02 -0.04 2.02 1.97 1oq9A1 PRO 69 HG2 0.03 0.05 -0.02 -0.04 2.03 2.05 1oq9A1 PRO 69 HG3 0.04 0.07 -0.11 -0.04 2.03 2.00 1oq9A1 PRO 69 HD2 0.16 0.09 0.15 -0.04 3.68 4.04 1oq9A1 PRO 69 HD3 0.14 0.19 0.16 -0.04 3.65 4.09 1oq9A1 ASP 70 H 0.17 0.07 0.11 -0.55 8.40 8.20 1oq9A1 ASP 70 HA 0.09 0.23 0.58 -0.75 4.63 4.77 1oq9A1 ASP 70 HB2 0.06 0.15 0.08 -0.04 2.71 2.97 1oq9A1 ASP 70 HB3 0.09 -0.12 0.17 -0.04 2.70 2.79 1oq9A1 PRO 71 HA -1.34 0.06 0.35 -0.51 4.44 3.01 1oq9A1 PRO 71 HB2 -0.45 0.02 0.03 -0.04 2.28 1.85 1oq9A1 PRO 71 HB3 -0.66 0.06 0.07 -0.04 2.02 1.44 1oq9A1 PRO 71 HG2 -0.13 -0.00 0.01 -0.04 2.03 1.87 1oq9A1 PRO 71 HG3 -0.09 0.07 0.06 -0.04 2.03 2.03 1oq9A1 PRO 71 HD2 -0.01 0.04 0.22 -0.04 3.68 3.89 1oq9A1 PRO 71 HD3 0.06 0.48 0.31 -0.04 3.65 4.45 1oq9A1 ALA 72 H -0.08 0.10 -0.31 -0.55 8.40 7.56 1oq9A1 ALA 72 HA -0.09 0.24 0.89 -0.75 4.34 4.63 1oq9A1 ALA 72 HB3 -0.04 0.01 0.09 -0.04 1.41 1.42 1oq9A1 SER 73 H -0.00 0.41 -0.28 -0.55 8.46 8.04 1oq9A1 SER 73 HA 0.02 0.21 0.95 -0.75 4.49 4.91 1oq9A1 SER 73 HB2 0.03 0.07 -0.03 -0.04 3.95 3.99 1oq9A1 SER 73 HB3 0.08 0.19 0.13 -0.04 3.93 4.29 1oq9A1 ASP 74 H 0.03 0.22 0.15 -0.55 8.40 8.25 1oq9A1 ASP 74 HA 0.05 0.12 0.49 -0.75 4.63 4.54 1oq9A1 ASP 74 HB2 0.03 0.00 0.08 -0.04 2.71 2.78 1oq9A1 ASP 74 HB3 0.03 0.03 0.11 -0.04 2.70 2.83 1oq9A1 GLY 75 H 0.06 0.05 -0.42 -0.55 8.43 7.57 1oq9A1 GLY 75 HA2 0.05 0.10 0.50 -0.51 4.01 4.15 1oq9A1 GLY 75 HA3 0.05 0.06 0.26 -0.51 4.01 3.87 1oq9A1 PHE 76 H 0.21 0.57 -0.35 -0.55 8.34 8.22 1oq9A1 PHE 76 HA 0.02 -0.02 0.21 -0.75 4.62 4.08 1oq9A1 PHE 76 HB2 0.02 0.23 0.17 -0.04 3.15 3.53 1oq9A1 PHE 76 HB3 0.02 -0.01 0.11 -0.04 3.06 3.13 1oq9A1 PHE 76 HD2 0.03 -0.05 -0.35 -0.04 7.28 6.86 1oq9A1 PHE 76 HE2 0.04 0.05 -0.10 -0.04 7.38 7.33 1oq9A1 PHE 76 HZ 0.06 0.03 -0.04 -0.04 7.32 7.32 1oq9A1 ASP 77 H 0.11 0.20 -0.10 -0.55 8.40 8.06 1oq9A1 ASP 77 HA -0.23 0.09 0.42 -0.75 4.63 4.16 1oq9A1 ASP 77 HB2 0.02 0.02 0.10 -0.04 2.71 2.81 1oq9A1 ASP 77 HB3 -0.02 0.03 -0.01 -0.04 2.70 2.66 1oq9A1 GLU 78 H -0.02 0.16 -0.17 -0.55 8.60 8.03 1oq9A1 GLU 78 HA -0.04 0.08 0.54 -0.75 4.29 4.13 1oq9A1 GLU 78 HB2 -0.01 0.02 0.08 -0.04 2.09 2.13 1oq9A1 GLU 78 HB3 -0.01 -0.01 0.09 -0.04 1.99 2.02 1oq9A1 GLU 78 HG2 0.01 0.03 0.11 -0.04 2.34 2.45 1oq9A1 GLU 78 HG3 0.00 0.05 -0.14 -0.04 2.34 2.20 1oq9A1 GLN 79 H -0.04 0.49 -0.13 -0.55 8.47 8.25 1oq9A1 GLN 79 HA -0.01 0.04 0.53 -0.75 4.36 4.16 1oq9A1 GLN 79 HB2 -0.02 0.10 0.14 -0.04 2.15 2.33 1oq9A1 GLN 79 HB3 0.02 -0.02 0.02 -0.04 2.02 2.00 1oq9A1 GLN 79 HG2 0.03 0.00 0.02 -0.04 2.40 2.40 1oq9A1 GLN 79 HG3 0.02 0.08 0.04 -0.04 2.39 2.49 1oq9A1 GLN 79 HE21 0.05 -0.02 -0.01 -0.04 6.97 6.95 1oq9A1 GLN 79 HE22 0.04 0.02 -0.02 -0.04 7.69 7.69 1oq9A1 VAL 80 H -0.25 0.55 -0.07 -0.55 8.24 7.93 1oq9A1 VAL 80 HA -0.13 0.05 0.46 -0.75 4.13 3.76 1oq9A1 VAL 80 HB -0.40 0.06 0.19 -0.04 2.12 1.94 1oq9A1 VAL 80 HG13 -0.17 0.01 -0.06 -0.04 0.97 0.71 1oq9A1 VAL 80 HG23 -0.69 0.01 0.02 -0.04 0.95 0.25 1oq9A1 ARG 81 H -0.12 0.52 -0.02 -0.55 8.46 8.29 1oq9A1 ARG 81 HA -0.06 0.05 0.44 -0.75 4.34 4.01 1oq9A1 ARG 81 HB2 -0.06 0.05 0.17 -0.04 1.90 2.02 1oq9A1 ARG 81 HB3 -0.05 0.02 0.19 -0.04 1.80 1.92 1oq9A1 ARG 81 HG2 -0.03 -0.01 -0.08 -0.04 1.67 1.51 1oq9A1 ARG 81 HG3 -0.04 -0.01 0.05 -0.04 1.67 1.64 1oq9A1 ARG 81 HD2 -0.02 -0.01 -0.00 -0.04 3.22 3.14 1oq9A1 ARG 81 HD3 -0.03 -0.03 -0.01 -0.04 3.22 3.12 1oq9A1 GLU 82 H -0.03 0.51 -0.24 -0.55 8.60 8.29 1oq9A1 GLU 82 HA -0.01 0.03 0.56 -0.75 4.29 4.12 1oq9A1 GLU 82 HB2 -0.00 0.10 0.18 -0.04 2.09 2.33 1oq9A1 GLU 82 HB3 0.01 -0.05 0.06 -0.04 1.99 1.96 1oq9A1 GLU 82 HG2 -0.01 -0.04 0.03 -0.04 2.34 2.28 1oq9A1 GLU 82 HG3 -0.01 0.15 0.09 -0.04 2.34 2.52 1oq9A1 LEU 83 H -0.00 0.52 -0.08 -0.55 8.37 8.26 1oq9A1 LEU 83 HA 0.08 -0.03 0.58 -0.75 4.35 4.22 1oq9A1 LEU 83 HB2 0.06 0.01 0.17 -0.04 1.64 1.84 1oq9A1 LEU 83 HB3 0.00 0.18 0.21 -0.04 1.64 1.99 1oq9A1 LEU 83 HG 0.26 -0.08 0.04 -0.04 1.64 1.82 1oq9A1 LEU 83 HD13 0.16 -0.01 0.03 -0.04 0.93 1.07 1oq9A1 LEU 83 HD23 -0.11 0.03 -0.35 -0.04 0.89 0.42 1oq9A1 ARG 84 H -0.03 0.51 -0.13 -0.55 8.46 8.26 1oq9A1 ARG 84 HA -0.03 0.09 0.50 -0.75 4.34 4.15 1oq9A1 ARG 84 HB2 -0.05 0.01 0.13 -0.04 1.90 1.95 1oq9A1 ARG 84 HB3 -0.06 -0.01 0.08 -0.04 1.80 1.77 1oq9A1 ARG 84 HG2 -0.10 0.21 0.07 -0.04 1.67 1.81 1oq9A1 ARG 84 HG3 -0.08 0.15 0.09 -0.04 1.67 1.80 1oq9A1 ARG 84 HD2 -0.10 -0.10 -0.03 -0.04 3.22 2.94 1oq9A1 ARG 84 HD3 -0.08 -0.11 -0.02 -0.04 3.22 2.97 1oq9A1 GLU 85 H -0.01 0.38 -0.16 -0.55 8.60 8.26 1oq9A1 GLU 85 HA -0.01 0.03 0.55 -0.75 4.29 4.11 1oq9A1 GLU 85 HB2 -0.01 0.16 0.25 -0.04 2.09 2.45 1oq9A1 GLU 85 HB3 0.00 0.02 0.04 -0.04 1.99 2.01 1oq9A1 GLU 85 HG2 -0.01 -0.05 0.03 -0.04 2.34 2.27 1oq9A1 GLU 85 HG3 -0.01 -0.02 0.07 -0.04 2.34 2.35 1oq9A1 ARG 86 H 0.02 0.49 -0.09 -0.55 8.46 8.33 1oq9A1 ARG 86 HA 0.02 0.05 0.52 -0.75 4.34 4.17 1oq9A1 ARG 86 HB2 0.06 0.13 0.23 -0.04 1.90 2.29 1oq9A1 ARG 86 HB3 0.04 -0.05 0.01 -0.04 1.80 1.75 1oq9A1 ARG 86 HG2 0.01 0.07 0.12 -0.04 1.67 1.83 1oq9A1 ARG 86 HG3 0.02 0.07 0.13 -0.04 1.67 1.85 1oq9A1 ARG 86 HD2 0.03 -0.08 0.05 -0.04 3.22 3.19 1oq9A1 ARG 86 HD3 0.01 -0.03 0.12 -0.04 3.22 3.29 1oq9A1 ALA 87 H 0.07 0.43 -0.21 -0.55 8.40 8.15 1oq9A1 ALA 87 HA 0.23 -0.03 0.31 -0.75 4.34 4.10 1oq9A1 ALA 87 HB3 0.14 0.03 0.13 -0.04 1.41 1.67 1oq9A1 LYS 88 H 0.03 0.33 -0.33 -0.55 8.42 7.90 1oq9A1 LYS 88 HA 0.02 0.02 0.49 -0.75 4.32 4.11 1oq9A1 LYS 88 HB2 0.01 0.22 0.15 -0.04 1.87 2.21 1oq9A1 LYS 88 HB3 0.00 -0.09 0.01 -0.04 1.79 1.67 1oq9A1 LYS 88 HG2 -0.02 -0.06 0.08 -0.04 1.46 1.41 1oq9A1 LYS 88 HG3 -0.01 0.20 0.12 -0.04 1.46 1.72 1oq9A1 LYS 88 HD2 -0.01 0.02 0.08 -0.04 1.69 1.74 1oq9A1 LYS 88 HD3 -0.01 -0.08 0.04 -0.04 1.68 1.58 1oq9A1 LYS 88 HE2 -0.03 0.00 0.01 -0.04 2.99 2.93 1oq9A1 LYS 88 HE3 -0.02 0.04 -0.04 -0.04 2.99 2.93 1oq9A1 GLU 89 H 0.02 0.40 -0.28 -0.55 8.60 8.19 1oq9A1 GLU 89 HA -0.01 0.03 0.55 -0.75 4.29 4.10 1oq9A1 GLU 89 HB2 -0.02 0.18 0.14 -0.04 2.09 2.35 1oq9A1 GLU 89 HB3 -0.03 -0.04 0.20 -0.04 1.99 2.08 1oq9A1 GLU 89 HG2 -0.00 0.09 0.07 -0.04 2.34 2.46 1oq9A1 GLU 89 HG3 -0.00 -0.05 0.07 -0.04 2.34 2.32 1oq9A1 ILE 90 H 0.04 0.35 -0.44 -0.55 8.25 7.65 1oq9A1 ILE 90 HA -0.47 0.13 0.88 -0.75 4.18 3.96 1oq9A1 ILE 90 HB 0.03 0.10 0.13 -0.04 1.89 2.11 1oq9A1 ILE 90 HG12 -0.50 -0.02 -0.05 -0.04 1.49 0.87 1oq9A1 ILE 90 HG13 -0.16 0.12 -0.17 -0.04 1.21 0.95 1oq9A1 ILE 90 HG23 -0.81 -0.02 -0.10 -0.04 0.93 -0.04 1oq9A1 ILE 90 HD13 -0.14 -0.04 -0.10 -0.04 0.88 0.56 1oq9A1 PRO 91 HA 0.07 0.18 0.37 -0.51 4.44 4.54 1oq9A1 PRO 91 HB2 0.06 -0.16 0.07 -0.04 2.28 2.21 1oq9A1 PRO 91 HB3 0.02 0.12 0.11 -0.04 2.02 2.23 1oq9A1 PRO 91 HG2 0.05 -0.16 0.07 -0.04 2.03 1.95 1oq9A1 PRO 91 HG3 0.02 0.10 0.10 -0.04 2.03 2.21 1oq9A1 PRO 91 HD2 -0.63 0.04 0.21 -0.04 3.68 3.26 1oq9A1 PRO 91 HD3 -0.41 0.35 0.26 -0.04 3.65 3.81 1oq9A1 ASP 92 H 0.11 0.19 0.19 -0.55 8.40 8.33 1oq9A1 ASP 92 HA 0.26 0.15 0.34 -0.75 4.63 4.63 1oq9A1 ASP 92 HB2 0.09 0.00 0.17 -0.04 2.71 2.93 1oq9A1 ASP 92 HB3 0.10 -0.01 -0.08 -0.04 2.70 2.67 1oq9A1 ASP 93 H 0.10 0.13 -0.11 -0.55 8.40 7.97 1oq9A1 ASP 93 HA 0.01 0.05 0.31 -0.75 4.63 4.24 1oq9A1 ASP 93 HB2 0.03 0.10 0.02 -0.04 2.71 2.82 1oq9A1 ASP 93 HB3 0.04 -0.02 0.11 -0.04 2.70 2.79 1oq9A1 TYR 94 H 0.19 0.17 -0.26 -0.55 8.29 7.85 1oq9A1 TYR 94 HA 0.01 0.06 0.54 -0.75 4.56 4.41 1oq9A1 TYR 94 HB2 0.02 -0.01 0.07 -0.04 3.06 3.10 1oq9A1 TYR 94 HB3 -0.14 0.25 0.04 -0.04 2.98 3.08 1oq9A1 TYR 94 HD2 -0.21 0.03 -0.22 -0.04 7.15 6.71 1oq9A1 TYR 94 HE2 -0.12 -0.00 -0.03 -0.04 6.85 6.66 1oq9A1 PHE 95 H 0.30 0.41 -0.22 -0.55 8.34 8.28 1oq9A1 PHE 95 HA 0.18 0.01 0.35 -0.75 4.62 4.40 1oq9A1 PHE 95 HB2 0.10 0.14 0.09 -0.04 3.15 3.44 1oq9A1 PHE 95 HB3 0.10 -0.07 -0.11 -0.04 3.06 2.94 1oq9A1 PHE 95 HD2 0.11 0.00 -0.13 -0.04 7.28 7.22 1oq9A1 PHE 95 HE2 0.09 0.20 0.02 -0.04 7.38 7.64 1oq9A1 PHE 95 HZ 0.09 -0.01 0.03 -0.04 7.32 7.39 1oq9A1 VAL 96 H 0.16 0.52 -0.18 -0.55 8.24 8.19 1oq9A1 VAL 96 HA 0.27 -0.05 0.37 -0.75 4.13 3.97 1oq9A1 VAL 96 HB -0.07 0.23 0.12 -0.04 2.12 2.36 1oq9A1 VAL 96 HG13 -0.27 -0.02 -0.15 -0.04 0.97 0.49 1oq9A1 VAL 96 HG23 -0.26 0.03 -0.06 -0.04 0.95 0.62 1oq9A1 VAL 97 H 0.05 0.46 -0.25 -0.55 8.24 7.95 1oq9A1 VAL 97 HA 0.47 0.00 0.45 -0.75 4.13 4.29 1oq9A1 VAL 97 HB -0.15 0.13 0.12 -0.04 2.12 2.18 1oq9A1 VAL 97 HG13 0.01 -0.02 -0.07 -0.04 0.97 0.86 1oq9A1 VAL 97 HG23 0.01 0.08 -0.06 -0.04 0.95 0.93 1oq9A1 LEU 98 H -0.12 0.67 -0.02 -0.55 8.37 8.36 1oq9A1 LEU 98 HA -0.06 0.01 0.43 -0.75 4.35 3.98 1oq9A1 LEU 98 HB2 -0.24 0.10 0.09 -0.04 1.64 1.55 1oq9A1 LEU 98 HB3 0.08 0.07 0.08 -0.04 1.64 1.83 1oq9A1 LEU 98 HG 0.11 -0.04 -0.08 -0.04 1.64 1.60 1oq9A1 LEU 98 HD13 -0.03 -0.01 0.01 -0.04 0.93 0.86 1oq9A1 LEU 98 HD23 0.18 0.01 -0.06 -0.04 0.89 0.98 1oq9A1 VAL 99 H 0.03 0.67 -0.30 -0.55 8.24 8.10 1oq9A1 VAL 99 HA -0.16 0.01 0.40 -0.75 4.13 3.62 1oq9A1 VAL 99 HB -0.10 0.12 0.11 -0.04 2.12 2.21 1oq9A1 VAL 99 HG13 -0.96 -0.04 -0.13 -0.04 0.97 -0.21 1oq9A1 VAL 99 HG23 0.06 0.06 -0.04 -0.04 0.95 0.98 1oq9A1 GLY 100 H -0.24 0.57 -0.08 -0.55 8.43 8.13 1oq9A1 GLY 100 HA2 -0.87 -0.03 0.46 -0.51 4.01 3.06 1oq9A1 GLY 100 HA3 -1.38 0.06 0.28 -0.51 4.01 2.46 1oq9A1 ASP 101 H -0.04 0.66 -0.21 -0.55 8.40 8.27 1oq9A1 ASP 101 HA 0.07 -0.01 0.46 -0.75 4.63 4.40 1oq9A1 ASP 101 HB2 0.03 0.16 0.15 -0.04 2.71 3.01 1oq9A1 ASP 101 HB3 0.07 -0.05 -0.02 -0.04 2.70 2.65 1oq9A1 MET 102 H -0.06 0.55 -0.17 -0.55 8.47 8.25 1oq9A1 MET 102 HA 0.06 0.00 0.40 -0.75 4.52 4.23 1oq9A1 MET 102 HB2 0.03 0.02 0.04 -0.04 2.15 2.20 1oq9A1 MET 102 HB3 -0.08 0.12 0.14 -0.04 2.03 2.16 1oq9A1 MET 102 HG2 0.01 -0.06 -0.07 -0.04 2.63 2.47 1oq9A1 MET 102 HG3 0.03 -0.01 -0.29 -0.04 2.56 2.24 1oq9A1 MET 102 HE3 -0.02 -0.01 -0.08 -0.04 2.10 1.95 1oq9A1 ILE 103 H -0.22 0.60 -0.10 -0.55 8.25 7.97 1oq9A1 ILE 103 HA -0.08 0.00 0.36 -0.75 4.18 3.71 1oq9A1 ILE 103 HB -0.27 0.10 0.10 -0.04 1.89 1.78 1oq9A1 ILE 103 HG12 -0.26 -0.03 0.00 -0.04 1.49 1.16 1oq9A1 ILE 103 HG13 -0.45 0.13 0.06 -0.04 1.21 0.91 1oq9A1 ILE 103 HG23 0.01 -0.02 -0.18 -0.04 0.93 0.69 1oq9A1 ILE 103 HD13 -1.03 -0.04 -0.08 -0.04 0.88 -0.31 1oq9A1 THR 104 H 0.00 0.44 -0.35 -0.55 8.28 7.82 1oq9A1 THR 104 HA 0.21 0.01 0.39 -0.75 4.39 4.25 1oq9A1 THR 104 HB 0.15 0.22 0.14 -0.04 4.32 4.79 1oq9A1 THR 104 HG23 0.22 -0.03 -0.12 -0.04 1.22 1.25 1oq9A1 GLU 105 H 0.14 0.51 -0.07 -0.55 8.60 8.63 1oq9A1 GLU 105 HA 0.24 0.01 0.41 -0.75 4.29 4.20 1oq9A1 GLU 105 HB2 0.12 0.17 0.12 -0.04 2.09 2.46 1oq9A1 GLU 105 HB3 0.15 -0.13 -0.02 -0.04 1.99 1.95 1oq9A1 GLU 105 HG2 0.25 0.19 0.06 -0.04 2.34 2.79 1oq9A1 GLU 105 HG3 0.21 -0.03 -0.11 -0.04 2.34 2.38 1oq9A1 GLU 106 H 0.05 0.43 -0.40 -0.55 8.60 8.14 1oq9A1 GLU 106 HA -0.01 -0.01 0.41 -0.75 4.29 3.92 1oq9A1 GLU 106 HB2 -0.01 0.14 0.09 -0.04 2.09 2.27 1oq9A1 GLU 106 HB3 -0.02 -0.06 0.07 -0.04 1.99 1.93 1oq9A1 GLU 106 HG2 0.01 0.10 0.03 -0.04 2.34 2.44 1oq9A1 GLU 106 HG3 -0.02 -0.06 -0.09 -0.04 2.34 2.13 1oq9A1 ALA 107 H 0.01 0.44 -0.38 -0.55 8.40 7.93 1oq9A1 ALA 107 HA -0.11 0.10 0.71 -0.75 4.34 4.28 1oq9A1 ALA 107 HB3 -0.01 0.03 0.07 -0.04 1.41 1.46 1oq9A1 LEU 108 H -0.18 0.32 -0.53 -0.55 8.37 7.43 1oq9A1 LEU 108 HA -0.44 -0.04 0.31 -0.75 4.35 3.42 1oq9A1 LEU 108 HB2 -0.08 0.19 0.11 -0.04 1.64 1.82 1oq9A1 LEU 108 HB3 -0.11 0.04 0.05 -0.04 1.64 1.57 1oq9A1 LEU 108 HG -0.06 -0.05 -0.39 -0.04 1.64 1.09 1oq9A1 LEU 108 HD13 -0.15 -0.04 0.00 -0.04 0.93 0.70 1oq9A1 LEU 108 HD23 -0.14 0.01 -0.10 -0.04 0.89 0.61 1oq9A1 PRO 109 HA -0.02 -0.01 0.45 -0.51 4.44 4.36 1oq9A1 PRO 109 HB2 -0.04 0.07 -0.02 -0.04 2.28 2.24 1oq9A1 PRO 109 HB3 -0.03 0.01 0.09 -0.04 2.02 2.04 1oq9A1 PRO 109 HG2 -0.09 0.08 -0.01 -0.04 2.03 1.97 1oq9A1 PRO 109 HG3 -0.06 0.04 0.03 -0.04 2.03 2.01 1oq9A1 PRO 109 HD2 -0.14 0.17 -0.37 -0.04 3.68 3.30 1oq9A1 PRO 109 HD3 -0.09 0.08 0.03 -0.04 3.65 3.63 1oq9A1 THR 110 H -0.20 0.56 -0.11 -0.55 8.28 7.98 1oq9A1 THR 110 HA 0.02 0.02 0.45 -0.75 4.39 4.12 1oq9A1 THR 110 HB -0.16 0.11 0.08 -0.04 4.32 4.31 1oq9A1 THR 110 HG23 0.14 -0.02 -0.02 -0.04 1.22 1.29 1oq9A1 TYR 111 H -0.20 0.44 -0.21 -0.55 8.29 7.77 1oq9A1 TYR 111 HA 0.14 0.02 0.37 -0.75 4.56 4.33 1oq9A1 TYR 111 HB2 0.44 0.07 0.04 -0.04 3.06 3.58 1oq9A1 TYR 111 HB3 0.35 -0.05 0.04 -0.04 2.98 3.27 1oq9A1 TYR 111 HD2 0.20 -0.04 -0.15 -0.04 7.15 7.12 1oq9A1 TYR 111 HE2 0.14 0.09 -0.12 -0.04 6.85 6.92 1oq9A1 GLN 112 H 0.22 0.46 -0.06 -0.55 8.47 8.53 1oq9A1 GLN 112 HA 0.24 0.03 0.60 -0.75 4.36 4.47 1oq9A1 GLN 112 HB2 0.25 0.01 0.08 -0.04 2.15 2.45 1oq9A1 GLN 112 HB3 0.12 0.11 0.08 -0.04 2.02 2.28 1oq9A1 GLN 112 HG2 0.11 -0.03 -0.08 -0.04 2.40 2.36 1oq9A1 GLN 112 HG3 0.20 -0.00 0.02 -0.04 2.39 2.56 1oq9A1 GLN 112 HE21 0.05 0.01 -0.02 -0.04 6.97 6.98 1oq9A1 GLN 112 HE22 0.10 -0.05 -0.13 -0.04 7.69 7.57 1oq9A1 THR 113 H 0.09 0.47 -0.17 -0.55 8.28 8.12 1oq9A1 THR 113 HA 0.04 0.02 0.48 -0.75 4.39 4.18 1oq9A1 THR 113 HB 0.05 0.20 0.22 -0.04 4.32 4.76 1oq9A1 THR 113 HG23 0.02 -0.01 -0.12 -0.04 1.22 1.06 1oq9A1 MET 114 H 0.10 0.56 -0.07 -0.55 8.47 8.51 1oq9A1 MET 114 HA -0.02 -0.02 0.41 -0.75 4.52 4.14 1oq9A1 MET 114 HB2 0.09 0.12 0.14 -0.04 2.15 2.46 1oq9A1 MET 114 HB3 0.08 0.19 0.15 -0.04 2.03 2.40 1oq9A1 MET 114 HG2 -0.11 -0.12 0.02 -0.04 2.63 2.39 1oq9A1 MET 114 HG3 -0.10 0.02 -0.02 -0.04 2.56 2.43 1oq9A1 MET 114 HE3 0.09 0.02 -0.06 -0.04 2.10 2.12 1oq9A1 LEU 115 H 0.03 0.50 -0.19 -0.55 8.37 8.16 1oq9A1 LEU 115 HA -0.10 -0.03 0.36 -0.75 4.35 3.82 1oq9A1 LEU 115 HB2 0.02 0.12 0.15 -0.04 1.64 1.89 1oq9A1 LEU 115 HB3 0.04 -0.05 0.03 -0.04 1.64 1.61 1oq9A1 LEU 115 HG -0.14 0.04 0.02 -0.04 1.64 1.52 1oq9A1 LEU 115 HD13 -0.51 -0.00 -0.02 -0.04 0.93 0.36 1oq9A1 LEU 115 HD23 -0.03 -0.02 -0.03 -0.04 0.89 0.76 1oq9A1 ASN 116 H 0.01 0.44 -0.45 -0.55 8.53 7.99 1oq9A1 ASN 116 HA -0.01 0.01 0.77 -0.75 4.76 4.77 1oq9A1 ASN 116 HB2 0.03 0.16 0.15 -0.04 2.88 3.18 1oq9A1 ASN 116 HB3 0.02 0.01 0.18 -0.04 2.79 2.96 1oq9A1 ASN 116 HD21 0.08 -0.09 -0.01 -0.04 7.03 6.97 1oq9A1 ASN 116 HD22 0.06 0.07 -0.05 -0.04 7.74 7.78 1oq9A1 THR 117 H -0.06 0.42 -0.35 -0.55 8.28 7.74 1oq9A1 THR 117 HA -0.04 0.16 0.79 -0.75 4.39 4.55 1oq9A1 THR 117 HB -0.09 -0.15 0.13 -0.04 4.32 4.16 1oq9A1 THR 117 HG23 -0.03 0.10 -0.03 -0.04 1.22 1.21 1oq9A1 LEU 118 H -0.14 0.27 -0.35 -0.55 8.37 7.61 1oq9A1 LEU 118 HA -0.20 0.04 0.32 -0.75 4.35 3.76 1oq9A1 LEU 118 HB2 -0.37 0.06 -0.05 -0.04 1.64 1.24 1oq9A1 LEU 118 HB3 -0.48 -0.15 -0.22 -0.04 1.64 0.74 1oq9A1 LEU 118 HG -0.23 0.18 -0.02 -0.04 1.64 1.54 1oq9A1 LEU 118 HD13 -0.59 -0.00 -0.07 -0.04 0.93 0.23 1oq9A1 LEU 118 HD23 -0.26 -0.01 -0.32 -0.04 0.89 0.25 1oq9A1 ASP 119 H -0.16 0.67 0.34 -0.55 8.40 8.70 1oq9A1 ASP 119 HA -0.05 0.12 0.16 -0.75 4.63 4.10 1oq9A1 ASP 119 HB2 -0.08 -0.08 0.27 -0.04 2.71 2.77 1oq9A1 ASP 119 HB3 -0.04 -0.03 0.04 -0.04 2.70 2.63 1oq9A1 GLY 120 H -0.33 0.07 0.06 -0.55 8.43 7.68 1oq9A1 GLY 120 HA2 -0.08 0.19 0.65 -0.51 4.01 4.27 1oq9A1 GLY 120 HA3 -0.14 -0.03 0.41 -0.51 4.01 3.74 1oq9A1 VAL 121 H -0.34 0.27 -0.29 -0.55 8.24 7.32 1oq9A1 VAL 121 HA -0.47 0.15 0.83 -0.75 4.13 3.89 1oq9A1 VAL 121 HB -0.43 0.01 0.09 -0.04 2.12 1.76 1oq9A1 VAL 121 HG13 -1.75 -0.02 -0.20 -0.04 0.97 -1.05 1oq9A1 VAL 121 HG23 -0.71 0.00 -0.14 -0.04 0.95 0.06 1oq9A1 ARG 122 H -0.09 0.18 -0.10 -0.55 8.46 7.89 1oq9A1 ARG 122 HA 0.03 0.15 0.65 -0.75 4.34 4.41 1oq9A1 ARG 122 HB2 -0.01 0.00 0.08 -0.04 1.90 1.93 1oq9A1 ARG 122 HB3 -0.07 0.37 -0.04 -0.04 1.80 2.02 1oq9A1 ARG 122 HG2 0.02 -0.22 -0.51 -0.04 1.67 0.92 1oq9A1 ARG 122 HG3 0.01 0.15 -0.26 -0.04 1.67 1.54 1oq9A1 ARG 122 HD2 -0.03 0.09 -0.10 -0.04 3.22 3.14 1oq9A1 ARG 122 HD3 0.00 -0.11 -0.11 -0.04 3.22 2.97 1oq9A1 ASP 123 H 0.08 0.23 0.12 -0.55 8.40 8.28 1oq9A1 ASP 123 HA 0.10 -0.05 0.72 -0.75 4.63 4.64 1oq9A1 ASP 123 HB2 0.11 0.10 0.15 -0.04 2.71 3.02 1oq9A1 ASP 123 HB3 0.07 0.13 0.17 -0.04 2.70 3.03 1oq9A1 GLU 124 H 0.06 0.08 0.17 -0.55 8.60 8.37 1oq9A1 GLU 124 HA 0.03 0.27 0.47 -0.75 4.29 4.31 1oq9A1 GLU 124 HB2 0.04 -0.08 0.09 -0.04 2.09 2.10 1oq9A1 GLU 124 HB3 0.03 0.04 0.08 -0.04 1.99 2.09 1oq9A1 GLU 124 HG2 0.02 0.08 -0.14 -0.04 2.34 2.27 1oq9A1 GLU 124 HG3 0.04 0.07 -0.06 -0.04 2.34 2.35 1oq9A1 THR 125 H 0.04 -0.25 -0.03 -0.55 8.28 7.49 1oq9A1 THR 125 HA 0.02 0.33 0.94 -0.75 4.39 4.93 1oq9A1 THR 125 HB 0.02 0.11 -0.01 -0.04 4.32 4.40 1oq9A1 THR 125 HG23 0.03 0.02 -0.11 -0.04 1.22 1.12 1oq9A1 GLY 126 H 0.04 -0.19 0.03 -0.55 8.43 7.77 1oq9A1 GLY 126 HA2 0.04 0.09 0.33 -0.51 4.01 3.95 1oq9A1 GLY 126 HA3 0.03 0.30 0.76 -0.51 4.01 4.58 1oq9A1 ALA 127 H 0.03 -0.05 -0.05 -0.55 8.40 7.79 1oq9A1 ALA 127 HA 0.03 0.24 0.51 -0.75 4.34 4.37 1oq9A1 ALA 127 HB3 0.02 0.03 -0.01 -0.04 1.41 1.41 1oq9A1 SER 128 H 0.05 -0.14 0.08 -0.55 8.46 7.91 1oq9A1 SER 128 HA 0.05 0.16 0.37 -0.75 4.49 4.32 1oq9A1 SER 128 HB2 0.06 -0.16 0.22 -0.04 3.95 4.04 1oq9A1 SER 128 HB3 0.09 -0.01 0.20 -0.04 3.93 4.17 1oq9A1 PRO 129 HA 0.04 0.20 0.57 -0.51 4.44 4.74 1oq9A1 PRO 129 HB2 0.03 0.01 0.16 -0.04 2.28 2.44 1oq9A1 PRO 129 HB3 0.03 0.08 0.12 -0.04 2.02 2.21 1oq9A1 PRO 129 HG2 0.04 0.01 -0.02 -0.04 2.03 2.02 1oq9A1 PRO 129 HG3 0.03 0.06 0.07 -0.04 2.03 2.15 1oq9A1 PRO 129 HD2 0.05 0.02 0.18 -0.04 3.68 3.89 1oq9A1 PRO 129 HD3 0.04 0.18 0.20 -0.04 3.65 4.03 1oq9A1 THR 130 H 0.09 -0.02 -0.45 -0.55 8.28 7.35 1oq9A1 THR 130 HA 0.06 0.17 0.71 -0.75 4.39 4.58 1oq9A1 THR 130 HB 0.22 -0.02 0.10 -0.04 4.32 4.58 1oq9A1 THR 130 HG23 0.13 0.03 0.03 -0.04 1.22 1.38 1oq9A1 SER 131 H -0.09 0.20 0.15 -0.55 8.46 8.17 1oq9A1 SER 131 HA -0.06 0.12 0.36 -0.75 4.49 4.15 1oq9A1 SER 131 HB2 -0.54 -0.02 0.15 -0.04 3.95 3.50 1oq9A1 SER 131 HB3 -0.41 -0.00 -0.09 -0.04 3.93 3.39 1oq9A1 TRP 132 H -0.03 0.04 -0.29 -0.55 7.97 7.15 1oq9A1 TRP 132 HA 0.19 0.12 0.50 -0.75 4.62 4.68 1oq9A1 TRP 132 HB2 0.12 -0.03 -0.05 -0.04 3.23 3.22 1oq9A1 TRP 132 HB3 0.17 0.24 0.08 -0.04 3.23 3.68 1oq9A1 TRP 132 HD1 0.11 -0.02 0.02 -0.04 7.22 7.29 1oq9A1 TRP 132 HE1 0.19 0.40 -0.05 -0.04 10.20 10.69 1oq9A1 TRP 132 HE3 0.17 0.03 0.00 -0.04 7.59 7.74 1oq9A1 TRP 132 HZ2 0.25 0.02 -0.04 -0.04 7.44 7.63 1oq9A1 TRP 132 HZ3 -0.18 0.04 -0.03 -0.04 7.13 6.92 1oq9A1 TRP 132 HH2 0.19 0.03 -0.03 -0.04 7.19 7.34 1oq9A1 ALA 133 H 0.27 0.04 -0.26 -0.55 8.40 7.91 1oq9A1 ALA 133 HA 0.21 0.07 0.42 -0.75 4.34 4.29 1oq9A1 ALA 133 HB3 0.13 0.03 0.03 -0.04 1.41 1.57 1oq9A1 ILE 134 H 0.13 0.50 -0.18 -0.55 8.25 8.15 1oq9A1 ILE 134 HA 0.07 0.05 0.38 -0.75 4.18 3.92 1oq9A1 ILE 134 HB 0.07 0.02 0.03 -0.04 1.89 1.96 1oq9A1 ILE 134 HG12 0.04 -0.01 -0.03 -0.04 1.49 1.44 1oq9A1 ILE 134 HG13 0.06 0.12 -0.06 -0.04 1.21 1.29 1oq9A1 ILE 134 HG23 0.05 0.00 -0.13 -0.04 0.93 0.81 1oq9A1 ILE 134 HD13 0.02 -0.02 -0.13 -0.04 0.88 0.70 1oq9A1 TRP 135 H 0.30 0.38 -0.31 -0.55 7.97 7.79 1oq9A1 TRP 135 HA 0.06 0.05 0.42 -0.75 4.62 4.40 1oq9A1 TRP 135 HB2 -0.02 0.01 0.05 -0.04 3.23 3.23 1oq9A1 TRP 135 HB3 0.10 0.11 0.15 -0.04 3.23 3.54 1oq9A1 TRP 135 HD1 0.12 0.03 -0.17 -0.04 7.22 7.16 1oq9A1 TRP 135 HE1 -0.40 -0.01 -0.08 -0.04 10.20 9.66 1oq9A1 TRP 135 HE3 -0.01 -0.01 -0.13 -0.04 7.59 7.40 1oq9A1 TRP 135 HZ2 -0.16 -0.00 0.01 -0.04 7.44 7.25 1oq9A1 TRP 135 HZ3 0.07 0.14 -0.12 -0.04 7.13 7.17 1oq9A1 TRP 135 HH2 0.20 0.07 -0.06 -0.04 7.19 7.36 1oq9A1 THR 136 H 0.31 0.48 -0.17 -0.55 8.28 8.35 1oq9A1 THR 136 HA 0.07 0.01 0.32 -0.75 4.39 4.03 1oq9A1 THR 136 HB 0.18 0.06 0.18 -0.04 4.32 4.70 1oq9A1 THR 136 HG23 0.14 -0.02 -0.07 -0.04 1.22 1.24 1oq9A1 ARG 137 H 0.07 0.51 -0.23 -0.55 8.46 8.26 1oq9A1 ARG 137 HA 0.05 0.02 0.46 -0.75 4.34 4.11 1oq9A1 ARG 137 HB2 0.03 0.11 0.13 -0.04 1.90 2.13 1oq9A1 ARG 137 HB3 0.01 -0.03 0.02 -0.04 1.80 1.75 1oq9A1 ARG 137 HG2 0.05 -0.04 0.02 -0.04 1.67 1.66 1oq9A1 ARG 137 HG3 0.07 0.09 0.04 -0.04 1.67 1.82 1oq9A1 ARG 137 HD2 0.02 -0.01 0.03 -0.04 3.22 3.22 1oq9A1 ARG 137 HD3 0.04 0.05 -0.08 -0.04 3.22 3.19 1oq9A1 ALA 138 H -0.09 0.50 -0.13 -0.55 8.40 8.14 1oq9A1 ALA 138 HA -0.11 0.02 0.48 -0.75 4.34 3.98 1oq9A1 ALA 138 HB3 -0.12 0.02 0.08 -0.04 1.41 1.35 1oq9A1 TRP 139 H -0.34 0.63 -0.11 -0.55 7.97 7.60 1oq9A1 TRP 139 HA -0.56 0.06 0.59 -0.75 4.62 3.95 1oq9A1 TRP 139 HB2 -1.55 0.02 0.06 -0.04 3.23 1.73 1oq9A1 TRP 139 HB3 -0.60 0.11 0.12 -0.04 3.23 2.82 1oq9A1 TRP 139 HD1 -0.86 0.02 0.01 -0.04 7.22 6.35 1oq9A1 TRP 139 HE1 -0.00 -0.01 -0.04 -0.04 10.20 10.11 1oq9A1 TRP 139 HE3 -0.06 0.12 -0.09 -0.04 7.59 7.53 1oq9A1 TRP 139 HZ2 0.17 -0.01 -0.06 -0.04 7.44 7.50 1oq9A1 TRP 139 HZ3 0.10 -0.03 -0.15 -0.04 7.13 7.01 1oq9A1 TRP 139 HH2 0.26 -0.02 -0.09 -0.04 7.19 7.29 1oq9A1 THR 140 H 0.15 0.55 -0.08 -0.55 8.28 8.36 1oq9A1 THR 140 HA -0.43 0.00 0.45 -0.75 4.39 3.66 1oq9A1 THR 140 HB 0.01 0.13 0.16 -0.04 4.32 4.57 1oq9A1 THR 140 HG23 0.00 -0.02 -0.06 -0.04 1.22 1.10 1oq9A1 ALA 141 H -0.14 0.50 -0.19 -0.55 8.40 8.03 1oq9A1 ALA 141 HA -0.16 -0.01 0.33 -0.75 4.34 3.74 1oq9A1 ALA 141 HB3 -0.12 0.04 0.11 -0.04 1.41 1.39 1oq9A1 GLU 142 H -0.30 0.31 -0.45 -0.55 8.60 7.61 1oq9A1 GLU 142 HA -0.30 0.06 0.58 -0.75 4.29 3.87 1oq9A1 GLU 142 HB2 -0.24 0.13 0.23 -0.04 2.09 2.17 1oq9A1 GLU 142 HB3 -0.10 -0.05 -0.00 -0.04 1.99 1.79 1oq9A1 GLU 142 HG2 -0.15 -0.04 0.07 -0.04 2.34 2.18 1oq9A1 GLU 142 HG3 -0.15 0.04 0.05 -0.04 2.34 2.24 1oq9A1 GLU 143 H -0.65 0.55 -0.04 -0.55 8.60 7.91 1oq9A1 GLU 143 HA -1.00 -0.00 0.47 -0.75 4.29 3.00 1oq9A1 GLU 143 HB2 -0.76 0.12 0.19 -0.04 2.09 1.60 1oq9A1 GLU 143 HB3 -0.46 -0.06 0.06 -0.04 1.99 1.50 1oq9A1 GLU 143 HG2 -1.53 0.17 0.07 -0.04 2.34 1.01 1oq9A1 GLU 143 HG3 -2.14 -0.05 -0.02 -0.04 2.34 0.09 1oq9A1 ASN 144 H -0.32 0.46 -0.32 -0.55 8.53 7.80 1oq9A1 ASN 144 HA -0.14 0.01 0.40 -0.75 4.76 4.28 1oq9A1 ASN 144 HB2 -0.15 0.05 0.07 -0.04 2.88 2.80 1oq9A1 ASN 144 HB3 -0.17 0.18 0.09 -0.04 2.79 2.85 1oq9A1 ASN 144 HD21 -0.07 -0.05 -0.04 -0.04 7.03 6.83 1oq9A1 ASN 144 HD22 -0.11 0.08 -0.06 -0.04 7.74 7.61 1oq9A1 ARG 145 H -0.26 0.40 -0.29 -0.55 8.46 7.76 1oq9A1 ARG 145 HA -0.05 -0.02 0.47 -0.75 4.34 4.00 1oq9A1 ARG 145 HB2 -0.43 0.02 -0.05 -0.04 1.90 1.40 1oq9A1 ARG 145 HB3 -0.32 -0.09 0.13 -0.04 1.80 1.47 1oq9A1 ARG 145 HG2 -0.31 -0.03 0.16 -0.04 1.67 1.45 1oq9A1 ARG 145 HG3 -0.47 0.33 0.21 -0.04 1.67 1.70 1oq9A1 ARG 145 HD2 -0.40 -0.13 0.09 -0.04 3.22 2.75 1oq9A1 ARG 145 HD3 -0.37 0.04 0.09 -0.04 3.22 2.94 1oq9A1 HIS 146 H -0.05 0.37 -0.30 -0.55 8.41 7.89 1oq9A1 HIS 146 HA 0.18 0.03 0.38 -0.75 4.63 4.47 1oq9A1 HIS 146 HB2 0.03 0.15 0.18 -0.04 3.26 3.58 1oq9A1 HIS 146 HB3 0.03 -0.04 0.02 -0.04 3.20 3.16 1oq9A1 HIS 146 HD2 0.33 -0.09 -0.08 -0.04 6.97 7.09 1oq9A1 HIS 146 HE1 0.13 -0.04 -0.04 -0.04 7.75 7.75 1oq9A1 GLY 147 H 0.09 0.35 -0.08 -0.55 8.43 8.25 1oq9A1 GLY 147 HA2 0.08 0.04 0.46 -0.51 4.01 4.07 1oq9A1 GLY 147 HA3 0.04 0.12 0.19 -0.51 4.01 3.85 1oq9A1 ASP 148 H 0.04 0.47 -0.11 -0.55 8.40 8.26 1oq9A1 ASP 148 HA 0.04 -0.00 0.38 -0.75 4.63 4.29 1oq9A1 ASP 148 HB2 0.05 0.10 0.18 -0.04 2.71 3.00 1oq9A1 ASP 148 HB3 0.06 -0.06 -0.03 -0.04 2.70 2.64 1oq9A1 LEU 149 H 0.16 0.61 -0.20 -0.55 8.37 8.40 1oq9A1 LEU 149 HA 0.17 -0.00 0.41 -0.75 4.35 4.17 1oq9A1 LEU 149 HB2 0.35 -0.05 0.11 -0.04 1.64 2.01 1oq9A1 LEU 149 HB3 0.21 0.13 0.14 -0.04 1.64 2.07 1oq9A1 LEU 149 HG 0.04 -0.01 -0.24 -0.04 1.64 1.39 1oq9A1 LEU 149 HD13 0.21 0.00 0.01 -0.04 0.93 1.11 1oq9A1 LEU 149 HD23 -0.16 -0.01 -0.05 -0.04 0.89 0.63 1oq9A1 LEU 150 H 0.11 0.56 -0.05 -0.55 8.37 8.44 1oq9A1 LEU 150 HA 0.15 0.03 0.49 -0.75 4.35 4.27 1oq9A1 LEU 150 HB2 0.08 0.07 0.14 -0.04 1.64 1.89 1oq9A1 LEU 150 HB3 0.09 -0.05 0.03 -0.04 1.64 1.67 1oq9A1 LEU 150 HG 0.03 0.16 0.08 -0.04 1.64 1.87 1oq9A1 LEU 150 HD13 0.08 -0.01 -0.08 -0.04 0.93 0.87 1oq9A1 LEU 150 HD23 -0.02 -0.01 -0.05 -0.04 0.89 0.76 1oq9A1 ASN 151 H 0.08 0.75 -0.11 -0.55 8.53 8.71 1oq9A1 ASN 151 HA 0.06 -0.03 0.43 -0.75 4.76 4.47 1oq9A1 ASN 151 HB2 0.03 0.12 0.09 -0.04 2.88 3.08 1oq9A1 ASN 151 HB3 0.04 0.08 0.15 -0.04 2.79 3.02 1oq9A1 ASN 151 HD21 -0.02 -0.04 -0.04 -0.04 7.03 6.90 1oq9A1 ASN 151 HD22 -0.01 0.04 -0.04 -0.04 7.74 7.69 1oq9A1 LYS 152 H 0.10 0.58 -0.07 -0.55 8.42 8.49 1oq9A1 LYS 152 HA 0.13 -0.01 0.44 -0.75 4.32 4.13 1oq9A1 LYS 152 HB2 0.12 0.17 0.14 -0.04 1.87 2.26 1oq9A1 LYS 152 HB3 0.14 -0.01 -0.00 -0.04 1.79 1.88 1oq9A1 LYS 152 HG2 0.02 -0.04 0.04 -0.04 1.46 1.44 1oq9A1 LYS 152 HG3 0.01 -0.02 0.01 -0.04 1.46 1.42 1oq9A1 LYS 152 HD2 0.08 0.01 -0.02 -0.04 1.69 1.71 1oq9A1 LYS 152 HD3 0.01 -0.04 -0.01 -0.04 1.68 1.60 1oq9A1 LYS 152 HE2 0.04 0.06 0.02 -0.04 2.99 3.08 1oq9A1 LYS 152 HE3 0.09 0.03 -0.07 -0.04 2.99 2.99 1oq9A1 TYR 153 H 0.24 0.53 -0.20 -0.55 8.29 8.31 1oq9A1 TYR 153 HA 0.11 0.03 0.52 -0.75 4.56 4.47 1oq9A1 TYR 153 HB2 0.08 0.03 0.10 -0.04 3.06 3.22 1oq9A1 TYR 153 HB3 0.08 0.06 0.16 -0.04 2.98 3.23 1oq9A1 TYR 153 HD2 0.10 0.02 -0.06 -0.04 7.15 7.17 1oq9A1 TYR 153 HE2 0.15 -0.01 -0.05 -0.04 6.85 6.90 1oq9A1 LEU 154 H 0.15 0.67 -0.10 -0.55 8.37 8.55 1oq9A1 LEU 154 HA -0.12 0.01 0.42 -0.75 4.35 3.91 1oq9A1 LEU 154 HB2 0.07 0.13 0.15 -0.04 1.64 1.96 1oq9A1 LEU 154 HB3 0.03 -0.11 -0.03 -0.04 1.64 1.48 1oq9A1 LEU 154 HG 0.27 0.09 0.02 -0.04 1.64 1.99 1oq9A1 LEU 154 HD13 0.04 -0.02 -0.13 -0.04 0.93 0.78 1oq9A1 LEU 154 HD23 0.32 -0.02 -0.07 -0.04 0.89 1.08 1oq9A1 TYR 155 H 0.14 0.62 -0.10 -0.55 8.29 8.40 1oq9A1 TYR 155 HA -0.03 -0.04 0.47 -0.75 4.56 4.20 1oq9A1 TYR 155 HB2 -0.00 -0.02 0.09 -0.04 3.06 3.09 1oq9A1 TYR 155 HB3 0.00 0.10 0.18 -0.04 2.98 3.22 1oq9A1 TYR 155 HD2 0.01 0.00 -0.03 -0.04 7.15 7.10 1oq9A1 TYR 155 HE2 0.03 -0.03 -0.03 -0.04 6.85 6.78 1oq9A1 LEU 156 H 0.05 0.57 -0.11 -0.55 8.37 8.33 1oq9A1 LEU 156 HA -0.22 -0.01 0.34 -0.75 4.35 3.70 1oq9A1 LEU 156 HB2 -0.05 0.14 0.14 -0.04 1.64 1.83 1oq9A1 LEU 156 HB3 -0.05 -0.06 0.06 -0.04 1.64 1.54 1oq9A1 LEU 156 HG 0.25 0.07 0.11 -0.04 1.64 2.02 1oq9A1 LEU 156 HD13 0.13 -0.02 0.01 -0.04 0.93 1.01 1oq9A1 LEU 156 HD23 0.13 -0.03 0.01 -0.04 0.89 0.96 1oq9A1 SER 157 H -0.26 0.26 -0.53 -0.55 8.46 7.38 1oq9A1 SER 157 HA -0.18 0.03 0.23 -0.75 4.49 3.82 1oq9A1 SER 157 HB2 -0.15 -0.02 0.08 -0.04 3.95 3.82 1oq9A1 SER 157 HB3 -0.55 0.22 0.14 -0.04 3.93 3.70 1oq9A1 GLY 158 H -0.20 0.33 -0.22 -0.55 8.43 7.79 1oq9A1 GLY 158 HA2 -0.12 0.00 0.34 -0.51 4.01 3.71 1oq9A1 GLY 158 HA3 -0.13 0.10 0.52 -0.51 4.01 3.99 1oq9A1 ARG 159 H -0.26 0.06 -0.29 -0.55 8.46 7.41 1oq9A1 ARG 159 HA -0.14 0.20 0.63 -0.75 4.34 4.27 1oq9A1 ARG 159 HB2 -1.17 -0.06 -0.02 -0.04 1.90 0.61 1oq9A1 ARG 159 HB3 -0.72 -0.03 0.06 -0.04 1.80 1.06 1oq9A1 ARG 159 HG2 -0.23 0.13 -0.27 -0.04 1.67 1.26 1oq9A1 ARG 159 HG3 -0.36 0.04 -0.11 -0.04 1.67 1.20 1oq9A1 ARG 159 HD2 -0.12 -0.06 -0.05 -0.04 3.22 2.95 1oq9A1 ARG 159 HD3 -0.06 -0.02 -0.22 -0.04 3.22 2.88 1oq9A1 VAL 160 H -0.11 0.12 -0.06 -0.55 8.24 7.64 1oq9A1 VAL 160 HA -0.09 0.23 1.04 -0.75 4.13 4.56 1oq9A1 VAL 160 HB -0.05 0.08 0.06 -0.04 2.12 2.16 1oq9A1 VAL 160 HG13 -0.11 -0.01 -0.24 -0.04 0.97 0.58 1oq9A1 VAL 160 HG23 -0.06 -0.01 -0.15 -0.04 0.95 0.68 1oq9A1 ASP 161 H -0.32 0.89 0.26 -0.55 8.40 8.69 1oq9A1 ASP 161 HA -0.50 0.12 0.62 -0.75 4.63 4.11 1oq9A1 ASP 161 HB2 -1.45 -0.05 0.04 -0.04 2.71 1.21 1oq9A1 ASP 161 HB3 -0.31 0.01 0.27 -0.04 2.70 2.63 1oq9A1 MET 162 H -0.01 0.37 0.17 -0.55 8.47 8.45 1oq9A1 MET 162 HA -0.01 0.06 0.27 -0.75 4.52 4.09 1oq9A1 MET 162 HB2 0.10 0.02 0.13 -0.04 2.15 2.36 1oq9A1 MET 162 HB3 0.09 0.01 0.03 -0.04 2.03 2.11 1oq9A1 MET 162 HG2 0.04 0.14 0.02 -0.04 2.63 2.79 1oq9A1 MET 162 HG3 0.27 0.04 0.04 -0.04 2.56 2.87 1oq9A1 MET 162 HE3 0.06 -0.01 -0.01 -0.04 2.10 2.10 1oq9A1 ARG 163 H 0.03 0.14 -0.11 -0.55 8.46 7.96 1oq9A1 ARG 163 HA 0.02 0.10 0.44 -0.75 4.34 4.15 1oq9A1 ARG 163 HB2 0.05 0.03 0.10 -0.04 1.90 2.04 1oq9A1 ARG 163 HB3 0.04 0.01 0.04 -0.04 1.80 1.84 1oq9A1 ARG 163 HG2 0.02 0.01 -0.11 -0.04 1.67 1.55 1oq9A1 ARG 163 HG3 0.02 0.01 0.06 -0.04 1.67 1.71 1oq9A1 ARG 163 HD2 0.04 0.00 0.00 -0.04 3.22 3.22 1oq9A1 ARG 163 HD3 0.03 0.02 -0.03 -0.04 3.22 3.20 1oq9A1 GLN 164 H 0.00 0.17 -0.22 -0.55 8.47 7.88 1oq9A1 GLN 164 HA 0.08 0.11 0.40 -0.75 4.36 4.20 1oq9A1 GLN 164 HB2 0.05 0.13 0.03 -0.04 2.15 2.31 1oq9A1 GLN 164 HB3 0.20 -0.09 -0.15 -0.04 2.02 1.94 1oq9A1 GLN 164 HG2 0.03 -0.04 -0.00 -0.04 2.40 2.34 1oq9A1 GLN 164 HG3 0.03 0.02 0.00 -0.04 2.39 2.40 1oq9A1 GLN 164 HE21 0.03 0.40 0.10 -0.04 6.97 7.47 1oq9A1 GLN 164 HE22 0.05 -0.20 0.01 -0.04 7.69 7.51 1oq9A1 ILE 165 H 0.02 0.41 -0.17 -0.55 8.25 7.96 1oq9A1 ILE 165 HA -0.10 0.02 0.55 -0.75 4.18 3.89 1oq9A1 ILE 165 HB -0.07 0.07 0.15 -0.04 1.89 2.01 1oq9A1 ILE 165 HG12 -0.59 -0.04 -0.01 -0.04 1.49 0.80 1oq9A1 ILE 165 HG13 -0.06 0.03 0.02 -0.04 1.21 1.15 1oq9A1 ILE 165 HG23 -0.18 0.00 -0.12 -0.04 0.93 0.59 1oq9A1 ILE 165 HD13 -0.12 -0.00 -0.17 -0.04 0.88 0.55 1oq9A1 GLU 166 H -0.00 0.79 0.03 -0.55 8.60 8.88 1oq9A1 GLU 166 HA -0.01 0.00 0.41 -0.75 4.29 3.93 1oq9A1 GLU 166 HB2 0.01 0.09 0.22 -0.04 2.09 2.36 1oq9A1 GLU 166 HB3 -0.01 -0.03 0.05 -0.04 1.99 1.96 1oq9A1 GLU 166 HG2 -0.01 -0.02 0.03 -0.04 2.34 2.29 1oq9A1 GLU 166 HG3 -0.01 0.00 0.08 -0.04 2.34 2.38 1oq9A1 LYS 167 H 0.04 0.54 -0.18 -0.55 8.42 8.26 1oq9A1 LYS 167 HA -0.02 0.00 0.47 -0.75 4.32 4.01 1oq9A1 LYS 167 HB2 0.01 -0.01 0.09 -0.04 1.87 1.92 1oq9A1 LYS 167 HB3 0.08 0.01 0.18 -0.04 1.79 2.02 1oq9A1 LYS 167 HG2 0.17 0.06 -0.13 -0.04 1.46 1.52 1oq9A1 LYS 167 HG3 0.04 -0.04 -0.09 -0.04 1.46 1.33 1oq9A1 LYS 167 HD2 0.08 0.02 -0.08 -0.04 1.69 1.67 1oq9A1 LYS 167 HD3 -0.06 -0.03 -0.02 -0.04 1.68 1.53 1oq9A1 LYS 167 HE2 -0.00 -0.03 -0.04 -0.04 2.99 2.88 1oq9A1 LYS 167 HE3 0.04 -0.01 -0.02 -0.04 2.99 2.96 1oq9A1 THR 168 H 0.16 0.44 -0.18 -0.55 8.28 8.15 1oq9A1 THR 168 HA 0.32 0.31 0.60 -0.75 4.39 4.86 1oq9A1 THR 168 HB 0.16 0.12 0.20 -0.04 4.32 4.75 1oq9A1 THR 168 HG23 0.41 -0.05 -0.12 -0.04 1.22 1.42 1oq9A1 ILE 169 H 0.06 0.55 -0.14 -0.55 8.25 8.16 1oq9A1 ILE 169 HA 0.06 0.01 0.45 -0.75 4.18 3.95 1oq9A1 ILE 169 HB 0.00 0.14 0.17 -0.04 1.89 2.17 1oq9A1 ILE 169 HG12 -0.03 0.01 0.03 -0.04 1.49 1.46 1oq9A1 ILE 169 HG13 -0.04 0.07 0.04 -0.04 1.21 1.24 1oq9A1 ILE 169 HG23 -0.01 -0.01 -0.12 -0.04 0.93 0.75 1oq9A1 ILE 169 HD13 -0.05 -0.03 -0.11 -0.04 0.88 0.65 1oq9A1 GLN 170 H 0.02 0.54 -0.02 -0.55 8.47 8.46 1oq9A1 GLN 170 HA -0.01 -0.00 0.45 -0.75 4.36 4.05 1oq9A1 GLN 170 HB2 -0.05 0.01 0.12 -0.04 2.15 2.20 1oq9A1 GLN 170 HB3 -0.12 0.08 0.12 -0.04 2.02 2.06 1oq9A1 GLN 170 HG2 -0.09 0.01 -0.07 -0.04 2.40 2.22 1oq9A1 GLN 170 HG3 -0.05 -0.04 0.06 -0.04 2.39 2.33 1oq9A1 GLN 170 HE21 -0.07 -0.02 -0.01 -0.04 6.97 6.82 1oq9A1 GLN 170 HE22 -0.06 -0.00 -0.01 -0.04 7.69 7.57 1oq9A1 TYR 171 H 0.12 0.53 -0.17 -0.55 8.29 8.22 1oq9A1 TYR 171 HA 0.08 0.01 0.48 -0.75 4.56 4.38 1oq9A1 TYR 171 HB2 0.13 0.21 0.28 -0.04 3.06 3.65 1oq9A1 TYR 171 HB3 0.19 -0.04 0.00 -0.04 2.98 3.09 1oq9A1 TYR 171 HD2 0.11 0.06 -0.03 -0.04 7.15 7.25 1oq9A1 TYR 171 HE2 0.10 0.03 -0.14 -0.04 6.85 6.80 1oq9A1 LEU 172 H 0.18 0.40 -0.21 -0.55 8.37 8.20 1oq9A1 LEU 172 HA 0.13 0.06 0.31 -0.75 4.35 4.10 1oq9A1 LEU 172 HB2 0.15 0.00 0.11 -0.04 1.64 1.85 1oq9A1 LEU 172 HB3 0.09 0.10 0.20 -0.04 1.64 1.99 1oq9A1 LEU 172 HG 0.09 0.00 -0.16 -0.04 1.64 1.53 1oq9A1 LEU 172 HD13 0.11 0.01 -0.03 -0.04 0.93 0.97 1oq9A1 LEU 172 HD23 0.13 -0.01 -0.10 -0.04 0.89 0.87 1oq9A1 ILE 173 H 0.05 0.58 0.03 -0.55 8.25 8.36 1oq9A1 ILE 173 HA 0.02 0.01 0.51 -0.75 4.18 3.96 1oq9A1 ILE 173 HB 0.00 0.05 0.13 -0.04 1.89 2.03 1oq9A1 ILE 173 HG12 -0.05 -0.07 0.10 -0.04 1.49 1.43 1oq9A1 ILE 173 HG13 0.00 0.07 0.10 -0.04 1.21 1.34 1oq9A1 ILE 173 HG23 -0.01 -0.02 -0.03 -0.04 0.93 0.82 1oq9A1 ILE 173 HD13 -0.03 0.02 -0.00 -0.04 0.88 0.83 1oq9A1 GLY 174 H 0.05 0.43 -0.22 -0.55 8.43 8.15 1oq9A1 GLY 174 HA2 0.02 -0.04 0.41 -0.51 4.01 3.89 1oq9A1 GLY 174 HA3 0.05 0.06 0.30 -0.51 4.01 3.91 1oq9A1 SER 175 H 0.09 0.49 -0.17 -0.55 8.46 8.32 1oq9A1 SER 175 HA 0.03 -0.02 0.48 -0.75 4.49 4.23 1oq9A1 SER 175 HB2 0.05 0.08 0.09 -0.04 3.95 4.12 1oq9A1 SER 175 HB3 -0.00 -0.08 0.03 -0.04 3.93 3.83 1oq9A1 GLY 176 H 0.05 0.34 -0.24 -0.55 8.43 8.03 1oq9A1 GLY 176 HA2 0.06 -0.02 0.36 -0.51 4.01 3.89 1oq9A1 GLY 176 HA3 0.04 -0.05 0.46 -0.51 4.01 3.94 1oq9A1 MET 177 H 0.05 0.17 0.17 -0.55 8.47 8.31 1oq9A1 MET 177 HA 0.05 0.04 0.62 -0.75 4.52 4.48 1oq9A1 MET 177 HB2 0.14 0.22 -0.60 -0.04 2.15 1.87 1oq9A1 MET 177 HB3 0.15 -0.09 -0.12 -0.04 2.03 1.92 1oq9A1 MET 177 HG2 0.23 -0.05 -0.09 -0.04 2.63 2.68 1oq9A1 MET 177 HG3 0.20 0.18 -0.01 -0.04 2.56 2.89 1oq9A1 MET 177 HE3 0.12 0.02 -0.38 -0.04 2.10 1.82 1oq9A1 ASP 178 H 0.11 0.20 0.09 -0.55 8.40 8.25 1oq9A1 ASP 178 HA 0.00 0.20 0.99 -0.75 4.63 5.06 1oq9A1 ASP 178 HB2 0.04 0.07 0.07 -0.04 2.71 2.85 1oq9A1 ASP 178 HB3 0.14 0.03 0.19 -0.04 2.70 3.01 1oq9A1 PRO 179 HA -0.18 0.22 0.45 -0.51 4.44 4.42 1oq9A1 PRO 179 HB2 -1.16 0.01 -0.02 -0.04 2.28 1.07 1oq9A1 PRO 179 HB3 -0.79 0.10 0.00 -0.04 2.02 1.29 1oq9A1 PRO 179 HG2 -0.31 -0.15 -0.02 -0.04 2.03 1.52 1oq9A1 PRO 179 HG3 -0.27 0.09 -0.00 -0.04 2.03 1.81 1oq9A1 PRO 179 HD2 -0.10 -0.01 0.22 -0.04 3.68 3.75 1oq9A1 PRO 179 HD3 -0.06 0.39 -0.04 -0.04 3.65 3.89 1oq9A1 ARG 180 H -0.10 0.02 -0.36 -0.55 8.46 7.46 1oq9A1 ARG 180 HA -0.10 -0.04 0.27 -0.75 4.34 3.71 1oq9A1 ARG 180 HB2 -0.11 0.24 0.06 -0.04 1.90 2.06 1oq9A1 ARG 180 HB3 -0.14 -0.03 0.13 -0.04 1.80 1.72 1oq9A1 ARG 180 HG2 -0.06 -0.00 -0.26 -0.04 1.67 1.31 1oq9A1 ARG 180 HG3 -0.15 0.13 -0.17 -0.04 1.67 1.44 1oq9A1 ARG 180 HD2 -0.31 -0.06 0.01 -0.04 3.22 2.82 1oq9A1 ARG 180 HD3 -0.64 -0.03 -0.04 -0.04 3.22 2.48 1oq9A1 THR 181 H -0.17 0.03 -0.11 -0.55 8.28 7.49 1oq9A1 THR 181 HA -0.11 0.24 0.51 -0.75 4.39 4.28 1oq9A1 THR 181 HB -0.17 -0.06 -0.05 -0.04 4.32 4.00 1oq9A1 THR 181 HG23 -0.28 0.06 -0.28 -0.04 1.22 0.68 1oq9A1 GLU 182 H -0.12 0.07 -0.07 -0.55 8.60 7.93 1oq9A1 GLU 182 HA -0.14 0.27 0.36 -0.75 4.29 4.03 1oq9A1 GLU 182 HB2 -0.08 0.06 -0.34 -0.04 2.09 1.69 1oq9A1 GLU 182 HB3 -0.09 -0.10 -0.09 -0.04 1.99 1.67 1oq9A1 GLU 182 HG2 -0.08 0.15 -0.11 -0.04 2.34 2.26 1oq9A1 GLU 182 HG3 -0.09 -0.07 -0.26 -0.04 2.34 1.87 1oq9A1 ASN 183 H -0.16 0.10 -0.27 -0.55 8.53 7.66 1oq9A1 ASN 183 HA -0.15 0.15 0.12 -0.75 4.76 4.12 1oq9A1 ASN 183 HB2 -0.13 -0.03 0.16 -0.04 2.88 2.84 1oq9A1 ASN 183 HB3 -0.03 0.12 0.32 -0.04 2.79 3.16 1oq9A1 ASN 183 HD21 -0.19 -0.02 0.06 -0.04 7.03 6.84 1oq9A1 ASN 183 HD22 -0.12 0.66 0.21 -0.04 7.74 8.45 1oq9A1 SER 184 H -0.12 0.65 -0.35 -0.55 8.46 8.10 1oq9A1 SER 184 HA -0.09 0.16 0.83 -0.75 4.49 4.63 1oq9A1 SER 184 HB2 -0.04 0.01 0.05 -0.04 3.95 3.93 1oq9A1 SER 184 HB3 -0.06 0.24 0.14 -0.04 3.93 4.21 1oq9A1 PRO 185 HA -0.85 0.11 0.40 -0.51 4.44 3.59 1oq9A1 PRO 185 HB2 -1.18 0.10 -0.04 -0.04 2.28 1.12 1oq9A1 PRO 185 HB3 -1.41 0.09 0.04 -0.04 2.02 0.69 1oq9A1 PRO 185 HG2 -1.03 0.11 0.10 -0.04 2.03 1.16 1oq9A1 PRO 185 HG3 -0.76 -0.11 0.04 -0.04 2.03 1.15 1oq9A1 PRO 185 HD2 -0.05 0.12 0.25 -0.04 3.68 3.96 1oq9A1 PRO 185 HD3 -0.23 0.24 0.40 -0.04 3.65 4.02 1oq9A1 TYR 186 H 0.09 0.12 -0.18 -0.55 8.29 7.76 1oq9A1 TYR 186 HA -0.06 0.12 0.37 -0.75 4.56 4.23 1oq9A1 TYR 186 HB2 -0.09 -0.07 0.05 -0.04 3.06 2.91 1oq9A1 TYR 186 HB3 -0.11 0.08 -0.06 -0.04 2.98 2.86 1oq9A1 TYR 186 HD2 -0.11 -0.04 -0.04 -0.04 7.15 6.92 1oq9A1 TYR 186 HE2 -0.02 0.06 -0.03 -0.04 6.85 6.82 1oq9A1 LEU 187 H 0.02 0.07 -0.18 -0.55 8.37 7.74 1oq9A1 LEU 187 HA 0.03 0.14 0.40 -0.75 4.35 4.17 1oq9A1 LEU 187 HB2 -0.06 0.13 0.17 -0.04 1.64 1.84 1oq9A1 LEU 187 HB3 -0.02 0.09 0.05 -0.04 1.64 1.71 1oq9A1 LEU 187 HG -0.02 -0.15 0.02 -0.04 1.64 1.45 1oq9A1 LEU 187 HD13 -0.05 0.08 -0.10 -0.04 0.93 0.81 1oq9A1 LEU 187 HD23 0.02 0.01 0.01 -0.04 0.89 0.88 1oq9A1 GLY 188 H -0.17 0.56 -0.11 -0.55 8.43 8.16 1oq9A1 GLY 188 HA2 -0.10 0.05 0.34 -0.51 4.01 3.79 1oq9A1 GLY 188 HA3 -0.27 0.06 0.23 -0.51 4.01 3.52 1oq9A1 PHE 189 H -0.20 0.69 -0.06 -0.55 8.34 8.22 1oq9A1 PHE 189 HA -0.14 0.03 0.52 -0.75 4.62 4.28 1oq9A1 PHE 189 HB2 -0.13 0.18 0.11 -0.04 3.15 3.27 1oq9A1 PHE 189 HB3 0.01 0.02 -0.00 -0.04 3.06 3.04 1oq9A1 PHE 189 HD2 -0.13 -0.01 -0.06 -0.04 7.28 7.04 1oq9A1 PHE 189 HE2 -0.28 -0.01 -0.04 -0.04 7.38 7.02 1oq9A1 PHE 189 HZ -0.22 0.01 -0.02 -0.04 7.32 7.05 1oq9A1 ILE 190 H 0.06 0.37 -0.29 -0.55 8.25 7.84 1oq9A1 ILE 190 HA 0.20 0.04 0.55 -0.75 4.18 4.23 1oq9A1 ILE 190 HB 0.05 0.12 0.11 -0.04 1.89 2.12 1oq9A1 ILE 190 HG12 -0.45 -0.04 0.01 -0.04 1.49 0.97 1oq9A1 ILE 190 HG13 -0.17 0.05 0.06 -0.04 1.21 1.11 1oq9A1 ILE 190 HG23 0.08 -0.01 -0.12 -0.04 0.93 0.84 1oq9A1 ILE 190 HD13 -0.14 -0.03 -0.13 -0.04 0.88 0.55 1oq9A1 TYR 191 H 0.17 0.42 -0.25 -0.55 8.29 8.08 1oq9A1 TYR 191 HA 0.07 0.03 0.36 -0.75 4.56 4.26 1oq9A1 TYR 191 HB2 -0.02 0.09 0.07 -0.04 3.06 3.17 1oq9A1 TYR 191 HB3 -0.04 0.06 0.15 -0.04 2.98 3.10 1oq9A1 TYR 191 HD2 -0.04 0.04 -0.14 -0.04 7.15 6.96 1oq9A1 TYR 191 HE2 -0.05 0.05 -0.02 -0.04 6.85 6.79 1oq9A1 THR 192 H 0.07 0.46 -0.18 -0.55 8.28 8.08 1oq9A1 THR 192 HA -0.06 0.03 0.53 -0.75 4.39 4.13 1oq9A1 THR 192 HB -0.80 -0.03 -0.04 -0.04 4.32 3.41 1oq9A1 THR 192 HG23 -0.25 0.02 -0.00 -0.04 1.22 0.94 1oq9A1 SER 193 H 0.13 0.51 -0.20 -0.55 8.46 8.35 1oq9A1 SER 193 HA 0.25 -0.01 0.42 -0.75 4.49 4.40 1oq9A1 SER 193 HB2 0.42 0.15 0.13 -0.04 3.95 4.61 1oq9A1 SER 193 HB3 0.30 -0.04 -0.01 -0.04 3.93 4.14 1oq9A1 PHE 194 H 0.24 0.49 -0.27 -0.55 8.34 8.25 1oq9A1 PHE 194 HA 0.02 0.02 0.42 -0.75 4.62 4.32 1oq9A1 PHE 194 HB2 0.02 0.11 0.07 -0.04 3.15 3.31 1oq9A1 PHE 194 HB3 -0.13 0.10 0.04 -0.04 3.06 3.03 1oq9A1 PHE 194 HD2 0.01 0.01 -0.19 -0.04 7.28 7.06 1oq9A1 PHE 194 HE2 -0.05 -0.02 -0.03 -0.04 7.38 7.23 1oq9A1 PHE 194 HZ -1.15 0.07 0.06 -0.04 7.32 6.25 1oq9A1 GLN 195 H 0.02 0.46 -0.14 -0.55 8.47 8.26 1oq9A1 GLN 195 HA 0.09 -0.00 0.36 -0.75 4.36 4.05 1oq9A1 GLN 195 HB2 -0.06 0.09 0.18 -0.04 2.15 2.31 1oq9A1 GLN 195 HB3 0.00 -0.07 -0.01 -0.04 2.02 1.91 1oq9A1 GLN 195 HG2 -0.74 0.23 0.07 -0.04 2.40 1.91 1oq9A1 GLN 195 HG3 -0.37 -0.03 -0.01 -0.04 2.39 1.94 1oq9A1 GLN 195 HE21 -0.01 -0.06 -0.22 -0.04 6.97 6.65 1oq9A1 GLN 195 HE22 -0.47 0.08 -0.15 -0.04 7.69 7.11 1oq9A1 GLU 196 H 0.14 0.70 -0.10 -0.55 8.60 8.80 1oq9A1 GLU 196 HA 0.28 -0.02 0.42 -0.75 4.29 4.22 1oq9A1 GLU 196 HB2 0.25 0.12 0.09 -0.04 2.09 2.50 1oq9A1 GLU 196 HB3 0.32 0.05 0.01 -0.04 1.99 2.33 1oq9A1 GLU 196 HG2 0.31 0.20 -0.01 -0.04 2.34 2.80 1oq9A1 GLU 196 HG3 0.61 -0.01 -0.30 -0.04 2.34 2.60 1oq9A1 ARG 197 H 0.07 0.44 -0.24 -0.55 8.46 8.18 1oq9A1 ARG 197 HA 0.11 0.02 0.42 -0.75 4.34 4.13 1oq9A1 ARG 197 HB2 -0.04 0.08 0.13 -0.04 1.90 2.02 1oq9A1 ARG 197 HB3 -0.15 0.12 0.13 -0.04 1.80 1.86 1oq9A1 ARG 197 HG2 -0.12 -0.03 -0.12 -0.04 1.67 1.37 1oq9A1 ARG 197 HG3 -0.02 -0.05 0.05 -0.04 1.67 1.60 1oq9A1 ARG 197 HD2 -0.10 0.04 0.00 -0.04 3.22 3.13 1oq9A1 ARG 197 HD3 -0.25 -0.02 0.01 -0.04 3.22 2.93 1oq9A1 ALA 198 H 0.01 0.48 -0.19 -0.55 8.40 8.15 1oq9A1 ALA 198 HA 0.05 -0.00 0.37 -0.75 4.34 4.01 1oq9A1 ALA 198 HB3 -0.08 0.04 0.08 -0.04 1.41 1.41 1oq9A1 THR 199 H 0.08 0.58 -0.08 -0.55 8.28 8.31 1oq9A1 THR 199 HA -0.11 0.01 0.55 -0.75 4.39 4.09 1oq9A1 THR 199 HB 0.14 -0.05 0.04 -0.04 4.32 4.40 1oq9A1 THR 199 HG23 0.09 0.06 0.01 -0.04 1.22 1.34 1oq9A1 PHE 200 H 0.25 0.55 -0.15 -0.55 8.34 8.45 1oq9A1 PHE 200 HA 0.08 -0.01 0.47 -0.75 4.62 4.40 1oq9A1 PHE 200 HB2 0.06 -0.05 0.03 -0.04 3.15 3.15 1oq9A1 PHE 200 HB3 0.01 0.17 0.17 -0.04 3.06 3.37 1oq9A1 PHE 200 HD2 -0.03 0.16 0.02 -0.04 7.28 7.39 1oq9A1 PHE 200 HE2 -0.06 -0.02 -0.07 -0.04 7.38 7.19 1oq9A1 PHE 200 HZ -0.04 -0.01 -0.03 -0.04 7.32 7.19 1oq9A1 ILE 201 H 0.02 0.41 -0.34 -0.55 8.25 7.79 1oq9A1 ILE 201 HA -0.37 0.03 0.52 -0.75 4.18 3.60 1oq9A1 ILE 201 HB 0.05 0.11 0.19 -0.04 1.89 2.20 1oq9A1 ILE 201 HG12 -0.08 -0.04 0.01 -0.04 1.49 1.34 1oq9A1 ILE 201 HG13 -0.00 -0.01 -0.02 -0.04 1.21 1.15 1oq9A1 ILE 201 HG23 0.03 0.00 -0.07 -0.04 0.93 0.85 1oq9A1 ILE 201 HD13 0.00 -0.01 -0.09 -0.04 0.88 0.74 1oq9A1 SER 202 H -0.07 0.58 0.09 -0.55 8.46 8.52 1oq9A1 SER 202 HA -0.05 0.18 0.39 -0.75 4.49 4.26 1oq9A1 SER 202 HB2 -0.20 0.09 0.26 -0.04 3.95 4.07 1oq9A1 SER 202 HB3 -0.29 -0.04 -0.01 -0.04 3.93 3.55 1oq9A1 HIS 203 H -0.16 0.79 -0.06 -0.55 8.41 8.44 1oq9A1 HIS 203 HA -0.08 -0.03 0.41 -0.75 4.63 4.17 1oq9A1 HIS 203 HB2 -0.07 0.10 0.09 -0.04 3.26 3.35 1oq9A1 HIS 203 HB3 -0.11 0.11 0.04 -0.04 3.20 3.19 1oq9A1 HIS 203 HD2 0.03 -0.01 -0.17 -0.04 6.97 6.77 1oq9A1 HIS 203 HE1 0.00 -0.02 -0.10 -0.04 7.75 7.59 1oq9A1 GLY 204 H -0.18 0.46 -0.27 -0.55 8.43 7.90 1oq9A1 GLY 204 HA2 -0.17 -0.06 0.44 -0.51 4.01 3.71 1oq9A1 GLY 204 HA3 -0.35 0.13 0.39 -0.51 4.01 3.67 1oq9A1 ASN 205 H -0.12 0.69 -0.14 -0.55 8.53 8.42 1oq9A1 ASN 205 HA -0.07 -0.01 0.61 -0.75 4.76 4.54 1oq9A1 ASN 205 HB2 -0.06 0.18 0.27 -0.04 2.88 3.23 1oq9A1 ASN 205 HB3 -0.05 -0.01 0.12 -0.04 2.79 2.81 1oq9A1 ASN 205 HD21 -0.06 -0.19 -0.01 -0.04 7.03 6.73 1oq9A1 ASN 205 HD22 -0.03 0.43 0.06 -0.04 7.74 8.16 1oq9A1 THR 206 H -0.06 0.49 -0.03 -0.55 8.28 8.14 1oq9A1 THR 206 HA 0.01 0.05 0.57 -0.75 4.39 4.26 1oq9A1 THR 206 HB -0.07 -0.06 0.06 -0.04 4.32 4.21 1oq9A1 THR 206 HG23 -0.18 0.05 0.01 -0.04 1.22 1.06 1oq9A1 ALA 207 H -0.04 0.42 -0.38 -0.55 8.40 7.85 1oq9A1 ALA 207 HA -0.04 0.01 0.56 -0.75 4.34 4.12 1oq9A1 ALA 207 HB3 -0.09 0.04 0.06 -0.04 1.41 1.39 1oq9A1 ARG 208 H -0.05 0.43 -0.05 -0.55 8.46 8.25 1oq9A1 ARG 208 HA -0.05 0.01 0.48 -0.75 4.34 4.03 1oq9A1 ARG 208 HB2 -0.06 0.15 0.21 -0.04 1.90 2.17 1oq9A1 ARG 208 HB3 -0.05 0.11 0.13 -0.04 1.80 1.95 1oq9A1 ARG 208 HG2 -0.05 -0.03 -0.03 -0.04 1.67 1.52 1oq9A1 ARG 208 HG3 -0.05 -0.05 0.08 -0.04 1.67 1.61 1oq9A1 ARG 208 HD2 -0.05 0.01 0.01 -0.04 3.22 3.15 1oq9A1 ARG 208 HD3 -0.04 -0.05 0.02 -0.04 3.22 3.10 1oq9A1 GLN 209 H 0.00 0.41 -0.23 -0.55 8.47 8.10 1oq9A1 GLN 209 HA -0.10 0.04 0.44 -0.75 4.36 3.98 1oq9A1 GLN 209 HB2 0.11 0.16 0.16 -0.04 2.15 2.54 1oq9A1 GLN 209 HB3 0.05 -0.03 -0.03 -0.04 2.02 1.96 1oq9A1 GLN 209 HG2 -0.12 -0.06 0.05 -0.04 2.40 2.23 1oq9A1 GLN 209 HG3 -0.04 0.01 0.03 -0.04 2.39 2.35 1oq9A1 GLN 209 HE21 0.01 0.05 -0.13 -0.04 6.97 6.85 1oq9A1 GLN 209 HE22 -0.01 0.04 -0.04 -0.04 7.69 7.64 1oq9A1 ALA 210 H 0.04 0.37 -0.27 -0.55 8.40 8.00 1oq9A1 ALA 210 HA -0.04 0.02 0.27 -0.75 4.34 3.84 1oq9A1 ALA 210 HB3 -0.02 0.04 0.03 -0.04 1.41 1.42 1oq9A1 LYS 211 H -0.04 0.32 -0.51 -0.55 8.42 7.63 1oq9A1 LYS 211 HA -0.03 -0.04 0.38 -0.75 4.32 3.86 1oq9A1 LYS 211 HB2 -0.05 0.10 0.16 -0.04 1.87 2.05 1oq9A1 LYS 211 HB3 -0.03 -0.06 0.03 -0.04 1.79 1.68 1oq9A1 LYS 211 HG2 -0.04 0.06 0.08 -0.04 1.46 1.51 1oq9A1 LYS 211 HG3 -0.04 0.07 0.12 -0.04 1.46 1.57 1oq9A1 LYS 211 HD2 -0.03 -0.03 0.01 -0.04 1.69 1.60 1oq9A1 LYS 211 HD3 -0.03 -0.07 0.00 -0.04 1.68 1.54 1oq9A1 LYS 211 HE2 -0.04 -0.03 -0.04 -0.04 2.99 2.84 1oq9A1 LYS 211 HE3 -0.04 0.06 -0.02 -0.04 2.99 2.95 1oq9A1 GLU 212 H -0.07 0.28 -0.00 -0.55 8.60 8.27 1oq9A1 GLU 212 HA -0.03 0.04 0.38 -0.75 4.29 3.92 1oq9A1 GLU 212 HB2 -0.08 0.02 0.01 -0.04 2.09 2.00 1oq9A1 GLU 212 HB3 -0.05 -0.04 0.11 -0.04 1.99 1.96 1oq9A1 GLU 212 HG2 -0.13 0.19 0.22 -0.04 2.34 2.58 1oq9A1 GLU 212 HG3 -0.11 -0.02 0.07 -0.04 2.34 2.23 1oq9A1 HIS 213 H -0.09 0.53 -0.12 -0.55 8.41 8.18 1oq9A1 HIS 213 HA -0.08 0.02 0.41 -0.75 4.63 4.23 1oq9A1 HIS 213 HB2 -0.19 0.00 0.01 -0.04 3.26 3.05 1oq9A1 HIS 213 HB3 -0.20 0.01 -0.01 -0.04 3.20 2.96 1oq9A1 HIS 213 HD2 -0.62 -0.05 -0.11 -0.04 6.97 6.14 1oq9A1 HIS 213 HE1 -0.05 -0.04 0.05 -0.04 7.75 7.67 1oq9A1 GLY 214 H 0.00 0.18 -1.00 -0.55 8.43 7.07 1oq9A1 GLY 214 HA2 -0.00 -0.03 0.27 -0.51 4.01 3.74 1oq9A1 GLY 214 HA3 0.00 0.07 0.57 -0.51 4.01 4.14 1oq9A1 ASP 215 H -0.02 0.48 0.05 -0.55 8.40 8.37 1oq9A1 ASP 215 HA -0.01 0.03 0.87 -0.75 4.63 4.77 1oq9A1 ASP 215 HB2 -0.05 -0.16 0.07 -0.04 2.71 2.53 1oq9A1 ASP 215 HB3 -0.01 -0.00 -0.02 -0.04 2.70 2.63 1oq9A1 ILE 216 H -0.01 0.00 0.13 -0.55 8.25 7.82 1oq9A1 ILE 216 HA -0.03 0.13 0.35 -0.75 4.18 3.87 1oq9A1 ILE 216 HB -0.01 0.03 -0.04 -0.04 1.89 1.83 1oq9A1 ILE 216 HG12 -0.01 0.06 0.04 -0.04 1.49 1.54 1oq9A1 ILE 216 HG13 -0.01 0.00 0.18 -0.04 1.21 1.34 1oq9A1 ILE 216 HG23 -0.02 0.02 0.03 -0.04 0.93 0.92 1oq9A1 ILE 216 HD13 0.00 -0.01 0.04 -0.04 0.88 0.87 1oq9A1 LYS 217 H -0.01 0.12 -0.06 -0.55 8.42 7.92 1oq9A1 LYS 217 HA 0.02 0.10 0.44 -0.75 4.32 4.12 1oq9A1 LYS 217 HB2 0.02 0.01 0.07 -0.04 1.87 1.93 1oq9A1 LYS 217 HB3 0.04 0.13 0.03 -0.04 1.79 1.95 1oq9A1 LYS 217 HG2 0.03 -0.02 0.01 -0.04 1.46 1.44 1oq9A1 LYS 217 HG3 0.02 -0.01 0.05 -0.04 1.46 1.48 1oq9A1 LYS 217 HD2 0.06 0.06 -0.02 -0.04 1.69 1.74 1oq9A1 LYS 217 HD3 0.05 0.04 -0.02 -0.04 1.68 1.70 1oq9A1 LYS 217 HE2 0.02 -0.02 -0.00 -0.04 2.99 2.95 1oq9A1 LYS 217 HE3 0.03 0.01 -0.02 -0.04 2.99 2.97 1oq9A1 LEU 218 H -0.07 0.17 -0.25 -0.55 8.37 7.67 1oq9A1 LEU 218 HA -0.27 0.09 0.54 -0.75 4.35 3.95 1oq9A1 LEU 218 HB2 -0.23 0.01 0.04 -0.04 1.64 1.42 1oq9A1 LEU 218 HB3 -0.13 0.15 0.02 -0.04 1.64 1.64 1oq9A1 LEU 218 HG -0.13 0.01 -0.15 -0.04 1.64 1.33 1oq9A1 LEU 218 HD13 -0.66 -0.02 0.03 -0.04 0.93 0.23 1oq9A1 LEU 218 HD23 -0.12 0.02 -0.05 -0.04 0.89 0.69 1oq9A1 ALA 219 H -0.08 0.29 -0.26 -0.55 8.40 7.80 1oq9A1 ALA 219 HA -0.09 0.05 0.58 -0.75 4.34 4.13 1oq9A1 ALA 219 HB3 -0.06 0.05 0.03 -0.04 1.41 1.39 1oq9A1 GLN 220 H -0.10 0.40 -0.24 -0.55 8.47 7.98 1oq9A1 GLN 220 HA -0.16 0.02 0.46 -0.75 4.36 3.94 1oq9A1 GLN 220 HB2 -0.02 0.21 0.18 -0.04 2.15 2.48 1oq9A1 GLN 220 HB3 0.02 -0.04 -0.01 -0.04 2.02 1.95 1oq9A1 GLN 220 HG2 -0.02 -0.05 0.01 -0.04 2.40 2.31 1oq9A1 GLN 220 HG3 -0.01 0.19 0.03 -0.04 2.39 2.56 1oq9A1 GLN 220 HE21 0.08 -0.00 -0.01 -0.04 6.97 6.99 1oq9A1 GLN 220 HE22 0.14 0.04 0.03 -0.04 7.69 7.85 1oq9A1 ILE 221 H -0.29 0.35 -0.20 -0.55 8.25 7.55 1oq9A1 ILE 221 HA -0.89 0.02 0.36 -0.75 4.18 2.91 1oq9A1 ILE 221 HB -0.30 0.13 0.19 -0.04 1.89 1.87 1oq9A1 ILE 221 HG12 -0.27 -0.06 0.02 -0.04 1.49 1.13 1oq9A1 ILE 221 HG13 -0.19 0.19 0.13 -0.04 1.21 1.30 1oq9A1 ILE 221 HG23 -0.25 -0.02 -0.19 -0.04 0.93 0.43 1oq9A1 ILE 221 HD13 -0.13 0.02 -0.01 -0.04 0.88 0.72 1oq9A1 CYS 222 H -0.25 0.48 -0.13 -0.55 8.50 8.05 1oq9A1 CYS 222 HA -0.26 0.01 0.38 -0.75 4.58 3.96 1oq9A1 CYS 222 HB2 -0.11 0.05 0.06 -0.04 2.97 2.93 1oq9A1 CYS 222 HB3 -0.06 0.12 0.03 -0.04 2.97 3.02 1oq9A1 GLY 223 H -0.23 0.45 -0.24 -0.55 8.43 7.87 1oq9A1 GLY 223 HA2 -0.12 0.03 0.39 -0.51 4.01 3.79 1oq9A1 GLY 223 HA3 -0.15 0.12 0.29 -0.51 4.01 3.77 1oq9A1 THR 224 H -0.45 0.59 -0.15 -0.55 8.28 7.72 1oq9A1 THR 224 HA -0.30 0.01 0.51 -0.75 4.39 3.85 1oq9A1 THR 224 HB -1.21 0.09 0.07 -0.04 4.32 3.23 1oq9A1 THR 224 HG23 -1.26 -0.03 -0.03 -0.04 1.22 -0.15 1oq9A1 ILE 225 H -0.48 0.43 -0.25 -0.55 8.25 7.40 1oq9A1 ILE 225 HA -0.33 0.03 0.54 -0.75 4.18 3.67 1oq9A1 ILE 225 HB -0.60 0.17 0.15 -0.04 1.89 1.57 1oq9A1 ILE 225 HG12 -0.36 -0.09 0.02 -0.04 1.49 1.02 1oq9A1 ILE 225 HG13 -0.48 0.12 0.05 -0.04 1.21 0.86 1oq9A1 ILE 225 HG23 -1.10 -0.03 -0.08 -0.04 0.93 -0.32 1oq9A1 ILE 225 HD13 -0.28 -0.02 -0.03 -0.04 0.88 0.52 1oq9A1 ALA 226 H -0.18 0.52 -0.13 -0.55 8.40 8.07 1oq9A1 ALA 226 HA 0.15 -0.03 0.42 -0.75 4.34 4.12 1oq9A1 ALA 226 HB3 -0.01 0.04 0.08 -0.04 1.41 1.48 1oq9A1 ALA 227 H 0.00 0.59 -0.16 -0.55 8.40 8.28 1oq9A1 ALA 227 HA 0.10 -0.00 0.46 -0.75 4.34 4.14 1oq9A1 ALA 227 HB3 0.03 0.04 0.10 -0.04 1.41 1.53 1oq9A1 ASP 228 H 0.07 0.40 -0.30 -0.55 8.40 8.03 1oq9A1 ASP 228 HA 0.01 0.03 0.54 -0.75 4.63 4.46 1oq9A1 ASP 228 HB2 0.20 0.24 0.19 -0.04 2.71 3.30 1oq9A1 ASP 228 HB3 0.10 -0.07 -0.01 -0.04 2.70 2.67 1oq9A1 GLU 229 H 0.09 0.45 -0.10 -0.55 8.60 8.50 1oq9A1 GLU 229 HA 0.17 -0.02 0.37 -0.75 4.29 4.06 1oq9A1 GLU 229 HB2 0.31 0.07 0.09 -0.04 2.09 2.52 1oq9A1 GLU 229 HB3 0.31 -0.01 0.13 -0.04 1.99 2.38 1oq9A1 GLU 229 HG2 0.16 0.34 0.08 -0.04 2.34 2.89 1oq9A1 GLU 229 HG3 0.33 -0.07 -0.20 -0.04 2.34 2.36 1oq9A1 LYS 230 H 0.00 0.43 -0.24 -0.55 8.42 8.06 1oq9A1 LYS 230 HA -0.29 0.00 0.45 -0.75 4.32 3.73 1oq9A1 LYS 230 HB2 -0.57 0.07 0.12 -0.04 1.87 1.45 1oq9A1 LYS 230 HB3 -0.14 0.15 0.12 -0.04 1.79 1.88 1oq9A1 LYS 230 HG2 -0.23 0.01 -0.01 -0.04 1.46 1.18 1oq9A1 LYS 230 HG3 -0.22 -0.06 -0.05 -0.04 1.46 1.09 1oq9A1 LYS 230 HD2 -2.03 0.02 0.01 -0.04 1.69 -0.34 1oq9A1 LYS 230 HD3 -0.59 0.00 -0.00 -0.04 1.68 1.05 1oq9A1 LYS 230 HE2 -0.25 -0.00 0.00 -0.04 2.99 2.70 1oq9A1 LYS 230 HE3 -0.39 -0.05 0.05 -0.04 2.99 2.55 1oq9A1 ARG 231 H -0.02 0.41 -0.13 -0.55 8.46 8.17 1oq9A1 ARG 231 HA 0.11 0.01 0.51 -0.75 4.34 4.22 1oq9A1 ARG 231 HB2 0.01 0.18 0.24 -0.04 1.90 2.29 1oq9A1 ARG 231 HB3 0.21 0.03 0.05 -0.04 1.80 2.05 1oq9A1 ARG 231 HG2 0.08 -0.04 0.07 -0.04 1.67 1.74 1oq9A1 ARG 231 HG3 0.04 0.08 0.10 -0.04 1.67 1.85 1oq9A1 ARG 231 HD2 0.08 0.03 -0.01 -0.04 3.22 3.28 1oq9A1 ARG 231 HD3 0.06 -0.03 -0.00 -0.04 3.22 3.20 1oq9A1 HIS 232 H 0.05 0.47 -0.12 -0.55 8.41 8.26 1oq9A1 HIS 232 HA 0.60 0.02 0.47 -0.75 4.63 4.97 1oq9A1 HIS 232 HB2 0.50 0.11 0.15 -0.04 3.26 3.98 1oq9A1 HIS 232 HB3 0.85 -0.08 0.03 -0.04 3.20 3.95 1oq9A1 HIS 232 HD2 0.46 -0.02 -0.05 -0.04 6.97 7.32 1oq9A1 HIS 232 HE1 -0.16 -0.04 -0.11 -0.04 7.75 7.40 1oq9A1 GLU 233 H 0.26 0.69 -0.10 -0.55 8.60 8.91 1oq9A1 GLU 233 HA 0.30 -0.04 0.44 -0.75 4.29 4.23 1oq9A1 GLU 233 HB2 0.11 0.04 0.01 -0.04 2.09 2.21 1oq9A1 GLU 233 HB3 0.02 0.16 0.17 -0.04 1.99 2.30 1oq9A1 GLU 233 HG2 0.09 -0.04 -0.15 -0.04 2.34 2.20 1oq9A1 GLU 233 HG3 0.10 0.04 0.06 -0.04 2.34 2.50 1oq9A1 THR 234 H 0.10 0.67 -0.06 -0.55 8.28 8.45 1oq9A1 THR 234 HA 0.07 -0.03 0.37 -0.75 4.39 4.06 1oq9A1 THR 234 HB 0.12 0.18 0.21 -0.04 4.32 4.78 1oq9A1 THR 234 HG23 0.07 -0.02 -0.02 -0.04 1.22 1.20 1oq9A1 ALA 235 H 0.04 0.47 -0.22 -0.55 8.40 8.14 1oq9A1 ALA 235 HA -0.27 0.05 0.38 -0.75 4.34 3.76 1oq9A1 ALA 235 HB3 -0.64 0.03 0.13 -0.04 1.41 0.88 1oq9A1 TYR 236 H 0.02 0.57 -0.04 -0.55 8.29 8.29 1oq9A1 TYR 236 HA -0.20 -0.01 0.55 -0.75 4.56 4.15 1oq9A1 TYR 236 HB2 0.14 0.14 0.12 -0.04 3.06 3.41 1oq9A1 TYR 236 HB3 0.12 -0.01 0.03 -0.04 2.98 3.09 1oq9A1 TYR 236 HD2 -0.03 0.02 -0.03 -0.04 7.15 7.07 1oq9A1 TYR 236 HE2 0.03 -0.02 -0.04 -0.04 6.85 6.78 1oq9A1 THR 237 H 0.24 0.71 0.01 -0.55 8.28 8.69 1oq9A1 THR 237 HA 0.76 -0.01 0.50 -0.75 4.39 4.89 1oq9A1 THR 237 HB 0.28 -0.04 0.05 -0.04 4.32 4.56 1oq9A1 THR 237 HG23 0.16 0.05 0.05 -0.04 1.22 1.44 1oq9A1 LYS 238 H 0.11 0.45 -0.31 -0.55 8.42 8.11 1oq9A1 LYS 238 HA 0.19 0.04 0.55 -0.75 4.32 4.35 1oq9A1 LYS 238 HB2 -0.03 0.30 0.23 -0.04 1.87 2.33 1oq9A1 LYS 238 HB3 0.02 -0.03 -0.04 -0.04 1.79 1.70 1oq9A1 LYS 238 HG2 -0.02 -0.05 0.02 -0.04 1.46 1.37 1oq9A1 LYS 238 HG3 0.08 -0.06 0.07 -0.04 1.46 1.51 1oq9A1 LYS 238 HD2 -0.02 -0.05 0.01 -0.04 1.69 1.60 1oq9A1 LYS 238 HD3 -0.12 0.12 -0.07 -0.04 1.68 1.58 1oq9A1 LYS 238 HE2 -0.40 0.14 0.04 -0.04 2.99 2.72 1oq9A1 LYS 238 HE3 -0.14 -0.07 0.01 -0.04 2.99 2.76 1oq9A1 ILE 239 H 0.03 0.44 -0.17 -0.55 8.25 8.00 1oq9A1 ILE 239 HA 0.21 0.02 0.47 -0.75 4.18 4.13 1oq9A1 ILE 239 HB -0.26 0.17 0.16 -0.04 1.89 1.91 1oq9A1 ILE 239 HG12 0.18 -0.10 0.02 -0.04 1.49 1.54 1oq9A1 ILE 239 HG13 -0.12 0.26 0.12 -0.04 1.21 1.43 1oq9A1 ILE 239 HG23 -0.17 -0.04 -0.08 -0.04 0.93 0.59 1oq9A1 ILE 239 HD13 -0.63 -0.03 -0.01 -0.04 0.88 0.17 1oq9A1 VAL 240 H 0.02 0.42 -0.22 -0.55 8.24 7.91 1oq9A1 VAL 240 HA -0.30 -0.02 0.46 -0.75 4.13 3.51 1oq9A1 VAL 240 HB -0.66 0.14 0.05 -0.04 2.12 1.61 1oq9A1 VAL 240 HG13 -1.23 -0.01 -0.04 -0.04 0.97 -0.36 1oq9A1 VAL 240 HG23 -0.09 0.06 -0.11 -0.04 0.95 0.77 1oq9A1 GLU 241 H 0.09 0.48 -0.25 -0.55 8.60 8.37 1oq9A1 GLU 241 HA 0.11 0.07 0.50 -0.75 4.29 4.21 1oq9A1 GLU 241 HB2 0.32 0.05 0.12 -0.04 2.09 2.55 1oq9A1 GLU 241 HB3 0.21 0.11 0.27 -0.04 1.99 2.53 1oq9A1 GLU 241 HG2 0.14 -0.02 -0.21 -0.04 2.34 2.21 1oq9A1 GLU 241 HG3 0.13 -0.04 -0.09 -0.04 2.34 2.30 1oq9A1 LYS 242 H -0.04 0.45 -0.24 -0.55 8.42 8.04 1oq9A1 LYS 242 HA -0.12 0.07 0.51 -0.75 4.32 4.02 1oq9A1 LYS 242 HB2 -0.47 0.16 0.12 -0.04 1.87 1.64 1oq9A1 LYS 242 HB3 -0.81 -0.03 -0.03 -0.04 1.79 0.88 1oq9A1 LYS 242 HG2 -0.10 0.02 0.02 -0.04 1.46 1.36 1oq9A1 LYS 242 HG3 -0.33 0.01 0.00 -0.04 1.46 1.11 1oq9A1 LYS 242 HD2 -1.08 -0.03 0.00 -0.04 1.69 0.54 1oq9A1 LYS 242 HD3 -0.48 -0.05 0.06 -0.04 1.68 1.17 1oq9A1 LYS 242 HE2 -0.06 0.04 0.00 -0.04 2.99 2.93 1oq9A1 LYS 242 HE3 -0.15 -0.01 -0.00 -0.04 2.99 2.79 1oq9A1 LEU 243 H -0.22 0.29 -0.37 -0.55 8.37 7.52 1oq9A1 LEU 243 HA -0.30 0.00 0.58 -0.75 4.35 3.87 1oq9A1 LEU 243 HB2 -0.35 0.10 0.20 -0.04 1.64 1.55 1oq9A1 LEU 243 HB3 -0.37 -0.08 -0.03 -0.04 1.64 1.12 1oq9A1 LEU 243 HG -0.21 0.25 -0.01 -0.04 1.64 1.63 1oq9A1 LEU 243 HD13 -0.24 -0.04 -0.12 -0.04 0.93 0.49 1oq9A1 LEU 243 HD23 -0.61 -0.03 -0.03 -0.04 0.89 0.17 1oq9A1 PHE 244 H -0.08 0.63 -0.15 -0.55 8.34 8.19 1oq9A1 PHE 244 HA -0.06 -0.03 0.34 -0.75 4.62 4.12 1oq9A1 PHE 244 HB2 -0.13 0.19 0.16 -0.04 3.15 3.34 1oq9A1 PHE 244 HB3 -0.03 0.05 -0.04 -0.04 3.06 3.00 1oq9A1 PHE 244 HD2 -0.29 0.05 -0.00 -0.04 7.28 7.00 1oq9A1 PHE 244 HE2 -0.31 -0.04 -0.08 -0.04 7.38 6.91 1oq9A1 PHE 244 HZ 0.29 -0.03 -0.16 -0.04 7.32 7.39 1oq9A1 GLU 245 H 0.01 0.29 -0.29 -0.55 8.60 8.07 1oq9A1 GLU 245 HA 0.03 0.07 0.43 -0.75 4.29 4.07 1oq9A1 GLU 245 HB2 -0.04 0.05 0.19 -0.04 2.09 2.25 1oq9A1 GLU 245 HB3 -0.07 -0.02 -0.02 -0.04 1.99 1.85 1oq9A1 GLU 245 HG2 -0.00 -0.05 0.02 -0.04 2.34 2.26 1oq9A1 GLU 245 HG3 0.02 0.02 0.05 -0.04 2.34 2.39 1oq9A1 ILE 246 H -0.12 0.35 -0.21 -0.55 8.25 7.72 1oq9A1 ILE 246 HA -0.07 0.10 0.60 -0.75 4.18 4.06 1oq9A1 ILE 246 HB -0.19 0.01 0.09 -0.04 1.89 1.76 1oq9A1 ILE 246 HG12 -0.16 -0.05 -0.00 -0.04 1.49 1.24 1oq9A1 ILE 246 HG13 -0.19 0.05 0.04 -0.04 1.21 1.07 1oq9A1 ILE 246 HG23 -0.12 -0.03 0.01 -0.04 0.93 0.75 1oq9A1 ILE 246 HD13 -0.34 -0.02 -0.01 -0.04 0.88 0.47 1oq9A1 ASP 247 H -0.07 0.54 -0.22 -0.55 8.40 8.10 1oq9A1 ASP 247 HA -0.02 0.14 0.89 -0.75 4.63 4.89 1oq9A1 ASP 247 HB2 -0.03 0.02 -0.12 -0.04 2.71 2.54 1oq9A1 ASP 247 HB3 0.05 0.05 0.21 -0.04 2.70 2.96 1oq9A1 PRO 248 HA 0.23 0.10 0.47 -0.51 4.44 4.72 1oq9A1 PRO 248 HB2 0.08 -0.05 -0.03 -0.04 2.28 2.24 1oq9A1 PRO 248 HB3 0.14 0.07 0.08 -0.04 2.02 2.28 1oq9A1 PRO 248 HG2 0.04 0.06 0.06 -0.04 2.03 2.15 1oq9A1 PRO 248 HG3 0.07 0.30 0.08 -0.04 2.03 2.44 1oq9A1 PRO 248 HD2 0.01 -0.02 0.12 -0.04 3.68 3.75 1oq9A1 PRO 248 HD3 0.01 0.26 -0.46 -0.04 3.65 3.41 1oq9A1 ASP 249 H 0.01 0.19 -0.16 -0.55 8.40 7.89 1oq9A1 ASP 249 HA 0.03 0.07 0.41 -0.75 4.63 4.38 1oq9A1 ASP 249 HB2 -0.00 0.13 0.14 -0.04 2.71 2.94 1oq9A1 ASP 249 HB3 -0.03 0.03 0.03 -0.04 2.70 2.70 1oq9A1 GLY 250 H -0.07 0.15 -0.11 -0.55 8.43 7.86 1oq9A1 GLY 250 HA2 -0.18 0.08 0.46 -0.51 4.01 3.86 1oq9A1 GLY 250 HA3 -0.25 0.08 0.28 -0.51 4.01 3.60 1oq9A1 THR 251 H -0.13 0.45 -0.23 -0.55 8.28 7.83 1oq9A1 THR 251 HA -0.09 0.02 0.45 -0.75 4.39 4.02 1oq9A1 THR 251 HB -1.22 0.10 -0.02 -0.04 4.32 3.14 1oq9A1 THR 251 HG23 -0.95 -0.01 -0.07 -0.04 1.22 0.15 1oq9A1 VAL 252 H 0.05 0.50 -0.07 -0.55 8.24 8.16 1oq9A1 VAL 252 HA 0.48 0.08 0.49 -0.75 4.13 4.43 1oq9A1 VAL 252 HB 0.39 0.19 0.17 -0.04 2.12 2.84 1oq9A1 VAL 252 HG13 0.10 0.01 0.04 -0.04 0.97 1.09 1oq9A1 VAL 252 HG23 0.23 -0.01 -0.03 -0.04 0.95 1.09 1oq9A1 LEU 253 H 0.02 0.29 -0.34 -0.55 8.37 7.80 1oq9A1 LEU 253 HA 0.04 0.04 0.46 -0.75 4.35 4.14 1oq9A1 LEU 253 HB2 -0.06 0.10 0.10 -0.04 1.64 1.74 1oq9A1 LEU 253 HB3 -0.04 -0.02 -0.03 -0.04 1.64 1.52 1oq9A1 LEU 253 HG 0.01 -0.03 0.02 -0.04 1.64 1.60 1oq9A1 LEU 253 HD13 -0.04 0.04 -0.07 -0.04 0.93 0.82 1oq9A1 LEU 253 HD23 -0.02 -0.01 -0.05 -0.04 0.89 0.77 1oq9A1 ALA 254 H -0.02 0.28 -0.33 -0.55 8.40 7.78 1oq9A1 ALA 254 HA 0.01 0.04 0.47 -0.75 4.34 4.11 1oq9A1 ALA 254 HB3 -0.00 0.03 -0.02 -0.04 1.41 1.37 1oq9A1 PHE 255 H 0.25 0.55 -0.18 -0.55 8.34 8.40 1oq9A1 PHE 255 HA 0.17 0.02 0.38 -0.75 4.62 4.43 1oq9A1 PHE 255 HB2 0.26 0.12 0.13 -0.04 3.15 3.63 1oq9A1 PHE 255 HB3 0.24 0.07 0.13 -0.04 3.06 3.45 1oq9A1 PHE 255 HD2 0.38 -0.02 -0.02 -0.04 7.28 7.57 1oq9A1 PHE 255 HE2 0.38 0.01 -0.11 -0.04 7.38 7.61 1oq9A1 PHE 255 HZ 0.25 0.00 -0.12 -0.04 7.32 7.41 1oq9A1 ALA 256 H 0.24 0.52 -0.10 -0.55 8.40 8.51 1oq9A1 ALA 256 HA 0.19 0.03 0.33 -0.75 4.34 4.14 1oq9A1 ALA 256 HB3 0.10 0.04 0.09 -0.04 1.41 1.59 1oq9A1 ASP 257 H 0.09 0.43 -0.32 -0.55 8.40 8.05 1oq9A1 ASP 257 HA 0.01 -0.02 0.31 -0.75 4.63 4.17 1oq9A1 ASP 257 HB2 0.01 0.13 0.16 -0.04 2.71 2.96 1oq9A1 ASP 257 HB3 0.04 0.14 0.14 -0.04 2.70 2.98 1oq9A1 MET 258 H 0.15 0.47 -0.27 -0.55 8.47 8.28 1oq9A1 MET 258 HA 0.07 0.07 0.39 -0.75 4.52 4.29 1oq9A1 MET 258 HB2 0.24 0.15 0.09 -0.04 2.15 2.58 1oq9A1 MET 258 HB3 0.13 -0.06 -0.04 -0.04 2.03 2.02 1oq9A1 MET 258 HG2 0.10 0.16 0.08 -0.04 2.63 2.93 1oq9A1 MET 258 HG3 0.13 -0.05 0.02 -0.04 2.56 2.62 1oq9A1 MET 258 HE3 0.14 -0.01 -0.05 -0.04 2.10 2.13 1oq9A1 MET 259 H 0.21 0.39 -0.19 -0.55 8.47 8.34 1oq9A1 MET 259 HA 0.15 -0.01 0.53 -0.75 4.52 4.43 1oq9A1 MET 259 HB2 0.23 0.06 0.11 -0.04 2.15 2.51 1oq9A1 MET 259 HB3 0.14 -0.02 0.00 -0.04 2.03 2.11 1oq9A1 MET 259 HG2 0.30 0.19 -0.03 -0.04 2.63 3.04 1oq9A1 MET 259 HG3 0.07 -0.03 -0.03 -0.04 2.56 2.54 1oq9A1 MET 259 HE3 0.41 0.02 -0.11 -0.04 2.10 2.38 1oq9A1 ARG 260 H 0.17 0.83 0.04 -0.55 8.46 8.95 1oq9A1 ARG 260 HA 0.17 0.01 0.45 -0.75 4.34 4.21 1oq9A1 ARG 260 HB2 -0.07 0.03 0.01 -0.04 1.90 1.84 1oq9A1 ARG 260 HB3 -0.02 0.10 0.03 -0.04 1.80 1.87 1oq9A1 ARG 260 HG2 -0.06 0.01 -0.05 -0.04 1.67 1.53 1oq9A1 ARG 260 HG3 -0.24 -0.04 0.01 -0.04 1.67 1.36 1oq9A1 ARG 260 HD2 -0.10 0.01 -0.05 -0.04 3.22 3.04 1oq9A1 ARG 260 HD3 -0.10 -0.03 -0.05 -0.04 3.22 3.00 1oq9A1 LYS 261 H 0.05 0.36 -0.31 -0.55 8.42 7.96 1oq9A1 LYS 261 HA -0.01 0.02 0.54 -0.75 4.32 4.12 1oq9A1 LYS 261 HB2 -0.01 0.09 0.06 -0.04 1.87 1.98 1oq9A1 LYS 261 HB3 -0.07 -0.06 0.07 -0.04 1.79 1.69 1oq9A1 LYS 261 HG2 -0.05 -0.08 -0.01 -0.04 1.46 1.27 1oq9A1 LYS 261 HG3 -0.02 0.24 0.08 -0.04 1.46 1.72 1oq9A1 LYS 261 HD2 -0.12 -0.06 0.01 -0.04 1.69 1.48 1oq9A1 LYS 261 HD3 -0.07 -0.10 -0.01 -0.04 1.68 1.45 1oq9A1 LYS 261 HE2 -0.01 0.09 -0.19 -0.04 2.99 2.83 1oq9A1 LYS 261 HE3 -0.05 0.05 0.02 -0.04 2.99 2.97 1oq9A1 LYS 262 H 0.08 0.07 -0.51 -0.55 8.42 7.50 1oq9A1 LYS 262 HA 0.10 -0.04 0.39 -0.75 4.32 4.02 1oq9A1 LYS 262 HB2 0.02 0.20 0.27 -0.04 1.87 2.32 1oq9A1 LYS 262 HB3 0.02 -0.09 -0.03 -0.04 1.79 1.65 1oq9A1 LYS 262 HG2 0.07 -0.02 -0.03 -0.04 1.46 1.44 1oq9A1 LYS 262 HG3 0.06 0.11 -0.42 -0.04 1.46 1.17 1oq9A1 LYS 262 HD2 -0.00 -0.07 -0.05 -0.04 1.69 1.53 1oq9A1 LYS 262 HD3 0.02 -0.05 -0.05 -0.04 1.68 1.56 1oq9A1 LYS 262 HE2 0.03 0.15 -0.10 -0.04 2.99 3.02 1oq9A1 LYS 262 HE3 0.02 -0.10 -0.03 -0.04 2.99 2.84 1oq9A1 ILE 263 H 0.08 0.06 0.07 -0.55 8.25 7.92 1oq9A1 ILE 263 HA 0.04 0.09 0.38 -0.75 4.18 3.93 1oq9A1 ILE 263 HB -0.20 -0.05 0.13 -0.04 1.89 1.72 1oq9A1 ILE 263 HG12 -0.21 0.01 -0.02 -0.04 1.49 1.23 1oq9A1 ILE 263 HG13 -1.30 -0.04 -0.03 -0.04 1.21 -0.20 1oq9A1 ILE 263 HG23 -0.36 -0.02 -0.21 -0.04 0.93 0.30 1oq9A1 ILE 263 HD13 -0.09 0.02 -0.08 -0.04 0.88 0.68 1oq9A1 SER 264 H 0.07 0.23 0.21 -0.55 8.46 8.43 1oq9A1 SER 264 HA -0.10 0.05 0.72 -0.75 4.49 4.41 1oq9A1 SER 264 HB2 -0.69 -0.03 -0.02 -0.04 3.95 3.17 1oq9A1 SER 264 HB3 -0.20 0.06 0.04 -0.04 3.93 3.79 1oq9A1 MET 265 H -0.08 0.10 0.10 -0.55 8.47 8.04 1oq9A1 MET 265 HA 0.07 0.15 0.36 -0.75 4.52 4.34 1oq9A1 MET 265 HB2 -0.11 -0.07 -0.00 -0.04 2.15 1.92 1oq9A1 MET 265 HB3 0.17 -0.01 0.01 -0.04 2.03 2.16 1oq9A1 MET 265 HG2 0.21 0.06 0.05 -0.04 2.63 2.91 1oq9A1 MET 265 HG3 0.46 -0.02 -0.03 -0.04 2.56 2.93 1oq9A1 MET 265 HE3 -0.01 -0.01 -0.05 -0.04 2.10 1.98 1oq9A1 PRO 266 HA 0.16 0.11 0.22 -0.51 4.44 4.43 1oq9A1 PRO 266 HB2 0.02 0.03 -0.05 -0.04 2.28 2.24 1oq9A1 PRO 266 HB3 -0.31 0.04 0.01 -0.04 2.02 1.72 1oq9A1 PRO 266 HG2 -0.12 0.04 0.02 -0.04 2.03 1.93 1oq9A1 PRO 266 HG3 -0.03 0.07 0.04 -0.04 2.03 2.07 1oq9A1 PRO 266 HD2 0.08 0.06 0.12 -0.04 3.68 3.89 1oq9A1 PRO 266 HD3 0.04 0.17 0.18 -0.04 3.65 4.00 1oq9A1 ALA 267 H 0.10 0.08 -0.33 -0.55 8.40 7.70 1oq9A1 ALA 267 HA 0.14 0.28 0.67 -0.75 4.34 4.68 1oq9A1 ALA 267 HB3 0.27 0.00 0.02 -0.04 1.41 1.66 1oq9A1 HIS 268 H 0.02 0.47 -0.45 -0.55 8.41 7.91 1oq9A1 HIS 268 HA -1.06 -0.01 0.29 -0.75 4.63 3.10 1oq9A1 HIS 268 HB2 -0.49 -0.06 0.07 -0.04 3.26 2.75 1oq9A1 HIS 268 HB3 -0.66 -0.00 0.03 -0.04 3.20 2.52 1oq9A1 HIS 268 HD2 -0.04 -0.03 -0.10 -0.04 6.97 6.76 1oq9A1 HIS 268 HE1 0.01 -0.06 -0.09 -0.04 7.75 7.58 1oq9A1 LEU 269 H -0.28 0.20 -0.27 -0.55 8.37 7.47 1oq9A1 LEU 269 HA -0.17 0.14 0.67 -0.75 4.35 4.24 1oq9A1 LEU 269 HB2 -0.12 0.11 0.00 -0.04 1.64 1.59 1oq9A1 LEU 269 HB3 -0.11 0.13 0.09 -0.04 1.64 1.71 1oq9A1 LEU 269 HG -0.59 -0.09 -0.10 -0.04 1.64 0.81 1oq9A1 LEU 269 HD13 -0.10 0.07 -0.11 -0.04 0.93 0.74 1oq9A1 LEU 269 HD23 -0.27 -0.01 -0.45 -0.04 0.89 0.12 1oq9A1 MET 270 H 0.10 0.23 -0.54 -0.55 8.47 7.70 1oq9A1 MET 270 HA 0.20 0.03 0.30 -0.75 4.52 4.31 1oq9A1 MET 270 HB2 0.37 0.02 0.07 -0.04 2.15 2.57 1oq9A1 MET 270 HB3 0.33 -0.17 -0.18 -0.04 2.03 1.96 1oq9A1 MET 270 HG2 0.33 -0.03 -0.02 -0.04 2.63 2.87 1oq9A1 MET 270 HG3 0.28 0.16 0.07 -0.04 2.56 3.03 1oq9A1 MET 270 HE3 -0.01 -0.02 -0.01 -0.04 2.10 2.01 1oq9A1 TYR 271 H 0.24 0.27 0.19 -0.55 8.29 8.44 1oq9A1 TYR 271 HA -0.03 0.00 0.73 -0.75 4.56 4.51 1oq9A1 TYR 271 HB2 -0.12 0.28 -0.13 -0.04 3.06 3.05 1oq9A1 TYR 271 HB3 -0.28 0.05 0.06 -0.04 2.98 2.77 1oq9A1 TYR 271 HD2 -0.91 0.13 0.01 -0.04 7.15 6.35 1oq9A1 TYR 271 HE2 -0.20 0.09 -0.36 -0.04 6.85 6.34 1oq9A1 ASP 272 H -0.46 0.08 0.19 -0.55 8.40 7.67 1oq9A1 ASP 272 HA 0.07 0.31 0.84 -0.75 4.63 5.09 1oq9A1 ASP 272 HB2 0.04 0.06 0.15 -0.04 2.71 2.92 1oq9A1 ASP 272 HB3 0.10 0.03 -0.01 -0.04 2.70 2.77 1oq9A1 GLY 273 H -1.98 0.13 -0.11 -0.55 8.43 5.92 1oq9A1 GLY 273 HA2 -0.43 0.12 0.20 -0.51 4.01 3.39 1oq9A1 GLY 273 HA3 0.03 0.17 0.57 -0.51 4.01 4.27 1oq9A1 ARG 274 H -0.37 -0.21 -0.19 -0.55 8.46 7.14 1oq9A1 ARG 274 HA -0.02 0.29 0.89 -0.75 4.34 4.74 1oq9A1 ARG 274 HB2 -0.11 -0.13 -0.05 -0.04 1.90 1.56 1oq9A1 ARG 274 HB3 -0.06 0.02 -0.09 -0.04 1.80 1.63 1oq9A1 ARG 274 HG2 0.04 0.11 -0.05 -0.04 1.67 1.73 1oq9A1 ARG 274 HG3 0.02 0.06 -0.42 -0.04 1.67 1.29 1oq9A1 ARG 274 HD2 -0.03 -0.10 -0.08 -0.04 3.22 2.97 1oq9A1 ARG 274 HD3 0.01 0.03 -0.06 -0.04 3.22 3.16 1oq9A1 ASP 275 H -0.16 -0.06 0.12 -0.55 8.40 7.75 1oq9A1 ASP 275 HA -0.03 0.19 0.74 -0.75 4.63 4.78 1oq9A1 ASP 275 HB2 -0.18 0.07 0.03 -0.04 2.71 2.59 1oq9A1 ASP 275 HB3 -0.14 -0.08 0.12 -0.04 2.70 2.56 1oq9A1 ASP 276 H 0.02 0.21 0.15 -0.55 8.40 8.24 1oq9A1 ASP 276 HA 0.11 0.20 0.59 -0.75 4.63 4.77 1oq9A1 ASP 276 HB2 -0.00 -0.03 0.09 -0.04 2.71 2.73 1oq9A1 ASP 276 HB3 -0.02 0.05 0.09 -0.04 2.70 2.77 1oq9A1 ASN 277 H -0.07 0.02 -0.21 -0.55 8.53 7.72 1oq9A1 ASN 277 HA -0.07 0.30 0.85 -0.75 4.76 5.09 1oq9A1 ASN 277 HB2 -0.60 -0.00 0.12 -0.04 2.88 2.35 1oq9A1 ASN 277 HB3 -0.33 -0.05 0.16 -0.04 2.79 2.53 1oq9A1 ASN 277 HD21 -0.03 0.05 -0.03 -0.04 7.03 6.98 1oq9A1 ASN 277 HD22 -0.05 -0.03 0.05 -0.04 7.74 7.67 1oq9A1 LEU 278 H 0.04 0.43 -0.21 -0.55 8.37 8.08 1oq9A1 LEU 278 HA -0.02 0.02 0.19 -0.75 4.35 3.79 1oq9A1 LEU 278 HB2 0.01 0.02 0.01 -0.04 1.64 1.64 1oq9A1 LEU 278 HB3 0.15 0.28 -0.13 -0.04 1.64 1.90 1oq9A1 LEU 278 HG 0.14 0.04 -0.23 -0.04 1.64 1.55 1oq9A1 LEU 278 HD13 -0.58 -0.03 0.00 -0.04 0.93 0.29 1oq9A1 LEU 278 HD23 0.08 -0.03 -0.18 -0.04 0.89 0.72 1oq9A1 PHE 279 H 0.29 0.29 -0.07 -0.55 8.34 8.30 1oq9A1 PHE 279 HA 0.42 0.07 0.37 -0.75 4.62 4.73 1oq9A1 PHE 279 HB2 0.22 0.12 0.12 -0.04 3.15 3.57 1oq9A1 PHE 279 HB3 0.16 0.05 0.12 -0.04 3.06 3.35 1oq9A1 PHE 279 HD2 0.29 0.06 -0.12 -0.04 7.28 7.47 1oq9A1 PHE 279 HE2 0.26 0.02 -0.11 -0.04 7.38 7.50 1oq9A1 PHE 279 HZ 0.17 0.01 -0.08 -0.04 7.32 7.38 1oq9A1 ASP 280 H 0.15 0.14 -0.22 -0.55 8.40 7.92 1oq9A1 ASP 280 HA -0.03 0.05 0.35 -0.75 4.63 4.25 1oq9A1 ASP 280 HB2 -0.13 0.06 0.07 -0.04 2.71 2.67 1oq9A1 ASP 280 HB3 -0.02 0.02 -0.02 -0.04 2.70 2.65 1oq9A1 HIS 281 H -0.05 0.43 -0.27 -0.55 8.41 7.97 1oq9A1 HIS 281 HA 0.06 0.03 0.45 -0.75 4.63 4.41 1oq9A1 HIS 281 HB2 -0.02 0.06 0.10 -0.04 3.26 3.37 1oq9A1 HIS 281 HB3 0.02 -0.01 -0.03 -0.04 3.20 3.14 1oq9A1 HIS 281 HD2 0.00 -0.02 -0.09 -0.04 6.97 6.81 1oq9A1 HIS 281 HE1 -0.09 -0.06 -0.02 -0.04 7.75 7.54 1oq9A1 PHE 282 H 0.34 0.57 -0.07 -0.55 8.34 8.62 1oq9A1 PHE 282 HA 0.17 0.02 0.48 -0.75 4.62 4.54 1oq9A1 PHE 282 HB2 0.38 -0.05 0.06 -0.04 3.15 3.50 1oq9A1 PHE 282 HB3 0.21 0.17 0.18 -0.04 3.06 3.58 1oq9A1 PHE 282 HD2 0.12 0.01 -0.03 -0.04 7.28 7.34 1oq9A1 PHE 282 HE2 0.14 0.02 -0.03 -0.04 7.38 7.48 1oq9A1 PHE 282 HZ 0.06 0.02 -0.21 -0.04 7.32 7.16 1oq9A1 SER 283 H -0.32 0.78 -0.02 -0.55 8.46 8.35 1oq9A1 SER 283 HA -0.72 0.00 0.44 -0.75 4.49 3.46 1oq9A1 SER 283 HB2 -0.35 0.10 0.14 -0.04 3.95 3.80 1oq9A1 SER 283 HB3 -0.25 -0.04 -0.03 -0.04 3.93 3.57 1oq9A1 ALA 284 H -0.06 0.50 -0.20 -0.55 8.40 8.10 1oq9A1 ALA 284 HA -0.05 0.00 0.45 -0.75 4.34 3.99 1oq9A1 ALA 284 HB3 0.04 0.03 0.12 -0.04 1.41 1.55 1oq9A1 VAL 285 H 0.00 0.38 -0.20 -0.55 8.24 7.87 1oq9A1 VAL 285 HA 0.00 0.14 0.57 -0.75 4.13 4.09 1oq9A1 VAL 285 HB -0.00 0.04 0.10 -0.04 2.12 2.22 1oq9A1 VAL 285 HG13 -0.03 0.00 0.00 -0.04 0.97 0.91 1oq9A1 VAL 285 HG23 0.02 0.12 0.06 -0.04 0.95 1.11 1oq9A1 ALA 286 H -0.19 0.53 -0.06 -0.55 8.40 8.13 1oq9A1 ALA 286 HA -0.08 0.00 0.49 -0.75 4.34 4.00 1oq9A1 ALA 286 HB3 -0.24 0.01 0.13 -0.04 1.41 1.27 1oq9A1 GLN 287 H -0.10 0.58 -0.12 -0.55 8.47 8.28 1oq9A1 GLN 287 HA -0.07 0.01 0.43 -0.75 4.36 3.98 1oq9A1 GLN 287 HB2 -0.08 -0.02 0.15 -0.04 2.15 2.16 1oq9A1 GLN 287 HB3 -0.06 0.09 0.27 -0.04 2.02 2.28 1oq9A1 GLN 287 HG2 -0.04 -0.01 0.02 -0.04 2.40 2.33 1oq9A1 GLN 287 HG3 -0.04 0.08 -0.29 -0.04 2.39 2.10 1oq9A1 GLN 287 HE21 -0.06 -0.16 0.09 -0.04 6.97 6.80 1oq9A1 GLN 287 HE22 -0.04 0.13 -0.04 -0.04 7.69 7.69 1oq9A1 ARG 288 H -0.03 0.68 0.01 -0.55 8.46 8.57 1oq9A1 ARG 288 HA -0.02 -0.01 0.40 -0.75 4.34 3.95 1oq9A1 ARG 288 HB2 -0.00 0.15 0.16 -0.04 1.90 2.17 1oq9A1 ARG 288 HB3 0.00 0.04 0.08 -0.04 1.80 1.87 1oq9A1 ARG 288 HG2 0.00 -0.05 0.04 -0.04 1.67 1.63 1oq9A1 ARG 288 HG3 0.00 -0.07 0.04 -0.04 1.67 1.60 1oq9A1 ARG 288 HD2 0.01 -0.09 -0.04 -0.04 3.22 3.06 1oq9A1 ARG 288 HD3 0.02 0.26 -0.15 -0.04 3.22 3.31 1oq9A1 LEU 289 H -0.02 0.40 -0.34 -0.55 8.37 7.86 1oq9A1 LEU 289 HA 0.01 0.11 0.56 -0.75 4.35 4.27 1oq9A1 LEU 289 HB2 -0.01 0.08 0.08 -0.04 1.64 1.75 1oq9A1 LEU 289 HB3 0.02 -0.04 0.05 -0.04 1.64 1.62 1oq9A1 LEU 289 HG 0.02 0.07 -0.04 -0.04 1.64 1.65 1oq9A1 LEU 289 HD13 0.06 -0.05 -0.19 -0.04 0.93 0.72 1oq9A1 LEU 289 HD23 0.07 -0.01 -0.03 -0.04 0.89 0.88 1oq9A1 GLY 290 H -0.03 0.38 -0.50 -0.55 8.43 7.73 1oq9A1 GLY 290 HA2 -0.04 -0.03 0.22 -0.51 4.01 3.64 1oq9A1 GLY 290 HA3 -0.03 0.05 0.46 -0.51 4.01 3.98 1oq9A1 VAL 291 H -0.03 0.55 -0.01 -0.55 8.24 8.19 1oq9A1 VAL 291 HA -0.03 0.14 0.67 -0.75 4.13 4.15 1oq9A1 VAL 291 HB -0.04 -0.04 0.14 -0.04 2.12 2.14 1oq9A1 VAL 291 HG13 -0.05 0.00 -0.08 -0.04 0.97 0.80 1oq9A1 VAL 291 HG23 -0.07 -0.00 -0.13 -0.04 0.95 0.71 1oq9A1 TYR 292 H 0.02 0.33 -0.11 -0.55 8.29 7.98 1oq9A1 TYR 292 HA -0.04 0.07 0.48 -0.75 4.56 4.31 1oq9A1 TYR 292 HB2 -0.05 0.09 -0.09 -0.04 3.06 2.96 1oq9A1 TYR 292 HB3 -0.08 -0.05 -0.01 -0.04 2.98 2.81 1oq9A1 TYR 292 HD2 -0.02 0.01 -0.05 -0.04 7.15 7.06 1oq9A1 TYR 292 HE2 0.11 -0.01 -0.09 -0.04 6.85 6.81 1oq9A1 THR 293 H -0.40 0.09 0.07 -0.55 8.28 7.49 1oq9A1 THR 293 HA -0.18 0.30 0.90 -0.75 4.39 4.65 1oq9A1 THR 293 HB -0.10 -0.03 0.20 -0.04 4.32 4.35 1oq9A1 THR 293 HG23 -0.08 0.09 -0.11 -0.04 1.22 1.07 1oq9A1 ALA 294 H -0.11 0.25 0.17 -0.55 8.40 8.16 1oq9A1 ALA 294 HA -0.08 0.12 0.61 -0.75 4.34 4.24 1oq9A1 ALA 294 HB3 -0.05 0.06 0.09 -0.04 1.41 1.47 1oq9A1 LYS 295 H -0.07 0.10 -0.06 -0.55 8.42 7.83 1oq9A1 LYS 295 HA -0.00 0.16 0.43 -0.75 4.32 4.14 1oq9A1 LYS 295 HB2 -0.03 0.07 0.10 -0.04 1.87 1.96 1oq9A1 LYS 295 HB3 -0.06 -0.04 0.02 -0.04 1.79 1.67 1oq9A1 LYS 295 HG2 -0.02 -0.03 -0.14 -0.04 1.46 1.23 1oq9A1 LYS 295 HG3 -0.02 0.06 0.03 -0.04 1.46 1.50 1oq9A1 LYS 295 HD2 -0.02 0.04 -0.01 -0.04 1.69 1.66 1oq9A1 LYS 295 HD3 -0.04 -0.01 -0.04 -0.04 1.68 1.56 1oq9A1 LYS 295 HE2 -0.03 0.02 -0.05 -0.04 2.99 2.89 1oq9A1 LYS 295 HE3 -0.02 -0.03 -0.08 -0.04 2.99 2.82 1oq9A1 ASP 296 H -0.16 -0.00 -0.35 -0.55 8.40 7.34 1oq9A1 ASP 296 HA -0.07 0.10 0.40 -0.75 4.63 4.31 1oq9A1 ASP 296 HB2 -0.57 0.16 0.15 -0.04 2.71 2.40 1oq9A1 ASP 296 HB3 -0.13 0.07 -0.04 -0.04 2.70 2.56 1oq9A1 TYR 297 H -0.05 0.33 -0.27 -0.55 8.29 7.75 1oq9A1 TYR 297 HA 0.19 0.02 0.33 -0.75 4.56 4.34 1oq9A1 TYR 297 HB2 0.06 0.01 0.13 -0.04 3.06 3.21 1oq9A1 TYR 297 HB3 0.03 0.23 0.16 -0.04 2.98 3.37 1oq9A1 TYR 297 HD2 0.27 0.01 -0.11 -0.04 7.15 7.28 1oq9A1 TYR 297 HE2 0.02 0.05 -0.01 -0.04 6.85 6.87 1oq9A1 ALA 298 H 0.16 0.38 -0.22 -0.55 8.40 8.17 1oq9A1 ALA 298 HA 0.08 0.04 0.56 -0.75 4.34 4.27 1oq9A1 ALA 298 HB3 0.09 0.05 0.08 -0.04 1.41 1.59 1oq9A1 ASP 299 H 0.00 0.41 -0.24 -0.55 8.40 8.03 1oq9A1 ASP 299 HA 0.01 0.02 0.47 -0.75 4.63 4.37 1oq9A1 ASP 299 HB2 -0.03 0.10 0.20 -0.04 2.71 2.93 1oq9A1 ASP 299 HB3 -0.03 -0.04 -0.01 -0.04 2.70 2.58 1oq9A1 ILE 300 H -0.11 0.48 -0.23 -0.55 8.25 7.84 1oq9A1 ILE 300 HA -0.13 0.06 0.58 -0.75 4.18 3.93 1oq9A1 ILE 300 HB -0.59 0.17 0.14 -0.04 1.89 1.57 1oq9A1 ILE 300 HG12 -0.22 -0.04 -0.07 -0.04 1.49 1.12 1oq9A1 ILE 300 HG13 -0.13 0.05 -0.04 -0.04 1.21 1.05 1oq9A1 ILE 300 HG23 -0.93 -0.00 -0.08 -0.04 0.93 -0.13 1oq9A1 ILE 300 HD13 -0.06 -0.01 -0.13 -0.04 0.88 0.64 1oq9A1 LEU 301 H -0.10 0.42 -0.07 -0.55 8.37 8.07 1oq9A1 LEU 301 HA 0.17 0.01 0.41 -0.75 4.35 4.19 1oq9A1 LEU 301 HB2 0.01 0.10 0.26 -0.04 1.64 1.98 1oq9A1 LEU 301 HB3 0.04 0.05 0.06 -0.04 1.64 1.75 1oq9A1 LEU 301 HG 0.08 0.01 -0.02 -0.04 1.64 1.66 1oq9A1 LEU 301 HD13 0.05 -0.01 -0.01 -0.04 0.93 0.93 1oq9A1 LEU 301 HD23 0.22 0.00 0.01 -0.04 0.89 1.08 1oq9A1 GLU 302 H 0.02 0.67 -0.12 -0.55 8.60 8.62 1oq9A1 GLU 302 HA 0.01 0.04 0.43 -0.75 4.29 4.01 1oq9A1 GLU 302 HB2 0.02 0.15 0.12 -0.04 2.09 2.34 1oq9A1 GLU 302 HB3 0.03 0.05 0.00 -0.04 1.99 2.03 1oq9A1 GLU 302 HG2 -0.00 -0.05 0.08 -0.04 2.34 2.32 1oq9A1 GLU 302 HG3 -0.00 -0.01 0.01 -0.04 2.34 2.30 1oq9A1 PHE 303 H 0.11 0.40 -0.34 -0.55 8.34 7.95 1oq9A1 PHE 303 HA -0.08 0.04 0.61 -0.75 4.62 4.44 1oq9A1 PHE 303 HB2 -0.08 0.08 0.17 -0.04 3.15 3.28 1oq9A1 PHE 303 HB3 -0.14 0.11 0.19 -0.04 3.06 3.18 1oq9A1 PHE 303 HD2 -0.14 0.02 -0.06 -0.04 7.28 7.06 1oq9A1 PHE 303 HE2 -0.10 -0.00 -0.03 -0.04 7.38 7.20 1oq9A1 PHE 303 HZ -0.08 0.00 -0.02 -0.04 7.32 7.19 1oq9A1 LEU 304 H -0.02 0.53 -0.19 -0.55 8.37 8.13 1oq9A1 LEU 304 HA -0.68 0.04 0.47 -0.75 4.35 3.42 1oq9A1 LEU 304 HB2 0.04 0.14 0.13 -0.04 1.64 1.91 1oq9A1 LEU 304 HB3 -0.53 -0.06 -0.02 -0.04 1.64 1.00 1oq9A1 LEU 304 HG -0.13 0.10 -0.01 -0.04 1.64 1.57 1oq9A1 LEU 304 HD13 0.02 -0.02 -0.13 -0.04 0.93 0.75 1oq9A1 LEU 304 HD23 -0.68 -0.01 -0.07 -0.04 0.89 0.09 1oq9A1 VAL 305 H 0.03 0.58 -0.02 -0.55 8.24 8.28 1oq9A1 VAL 305 HA 0.22 0.02 0.52 -0.75 4.13 4.14 1oq9A1 VAL 305 HB 0.02 0.15 0.17 -0.04 2.12 2.41 1oq9A1 VAL 305 HG13 -0.02 -0.01 -0.12 -0.04 0.97 0.78 1oq9A1 VAL 305 HG23 -0.04 0.03 -0.06 -0.04 0.95 0.83 1oq9A1 GLY 306 H -0.13 0.37 -0.37 -0.55 8.43 7.75 1oq9A1 GLY 306 HA2 -0.09 -0.01 0.51 -0.51 4.01 3.91 1oq9A1 GLY 306 HA3 -0.16 0.11 0.30 -0.51 4.01 3.76 1oq9A1 ARG 307 H -0.50 0.55 -0.06 -0.55 8.46 7.90 1oq9A1 ARG 307 HA -0.35 0.03 0.42 -0.75 4.34 3.69 1oq9A1 ARG 307 HB2 -1.10 0.20 0.17 -0.04 1.90 1.12 1oq9A1 ARG 307 HB3 -0.91 -0.02 0.10 -0.04 1.80 0.93 1oq9A1 ARG 307 HG2 -0.31 -0.02 0.07 -0.04 1.67 1.37 1oq9A1 ARG 307 HG3 -0.44 -0.03 -0.01 -0.04 1.67 1.15 1oq9A1 ARG 307 HD2 -0.51 -0.04 -0.09 -0.04 3.22 2.54 1oq9A1 ARG 307 HD3 -0.17 0.04 -0.32 -0.04 3.22 2.73 1oq9A1 TRP 308 H -0.16 0.41 -0.25 -0.55 7.97 7.42 1oq9A1 TRP 308 HA -0.10 0.14 0.66 -0.75 4.62 4.57 1oq9A1 TRP 308 HB2 -0.12 0.07 0.03 -0.04 3.23 3.17 1oq9A1 TRP 308 HB3 -0.48 -0.04 0.05 -0.04 3.23 2.72 1oq9A1 TRP 308 HD1 0.03 0.07 -0.12 -0.04 7.22 7.16 1oq9A1 TRP 308 HE1 0.06 0.28 0.12 -0.04 10.20 10.62 1oq9A1 TRP 308 HE3 -0.01 0.02 -0.07 -0.04 7.59 7.48 1oq9A1 TRP 308 HZ2 0.05 -0.05 0.01 -0.04 7.44 7.41 1oq9A1 TRP 308 HZ3 -0.95 -0.02 -0.05 -0.04 7.13 6.07 1oq9A1 TRP 308 HH2 -0.08 -0.01 0.02 -0.04 7.19 7.08 1oq9A1 LYS 309 H -0.04 0.18 -0.68 -0.55 8.42 7.33 1oq9A1 LYS 309 HA -0.04 0.01 0.33 -0.75 4.32 3.87 1oq9A1 LYS 309 HB2 -0.02 0.11 -0.23 -0.04 1.87 1.70 1oq9A1 LYS 309 HB3 -0.02 -0.11 0.17 -0.04 1.79 1.79 1oq9A1 LYS 309 HG2 -0.04 -0.02 0.06 -0.04 1.46 1.43 1oq9A1 LYS 309 HG3 -0.03 0.15 -0.10 -0.04 1.46 1.44 1oq9A1 LYS 309 HD2 -0.01 -0.01 0.00 -0.04 1.69 1.64 1oq9A1 LYS 309 HD3 -0.01 -0.07 0.01 -0.04 1.68 1.57 1oq9A1 LYS 309 HE2 -0.01 0.13 -0.01 -0.04 2.99 3.05 1oq9A1 LYS 309 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.91 1oq9A1 VAL 310 H -0.01 0.42 -0.02 -0.55 8.24 8.07 1oq9A1 VAL 310 HA -0.12 0.12 0.20 -0.75 4.13 3.58 1oq9A1 VAL 310 HB 0.01 -0.02 0.02 -0.04 2.12 2.09 1oq9A1 VAL 310 HG13 0.04 -0.01 -0.03 -0.04 0.97 0.93 1oq9A1 VAL 310 HG23 0.13 0.03 -0.02 -0.04 0.95 1.04 1oq9A1 ASP 311 H -0.02 0.09 -0.20 -0.55 8.40 7.72 1oq9A1 ASP 311 HA -0.01 0.05 0.40 -0.75 4.63 4.32 1oq9A1 ASP 311 HB2 -0.01 -0.00 -0.07 -0.04 2.71 2.59 1oq9A1 ASP 311 HB3 -0.01 0.01 0.05 -0.04 2.70 2.70 1oq9A1 LYS 312 H -0.02 0.17 -0.37 -0.55 8.42 7.64 1oq9A1 LYS 312 HA -0.00 0.08 0.76 -0.75 4.32 4.40 1oq9A1 LYS 312 HB2 -0.01 0.10 0.20 -0.04 1.87 2.12 1oq9A1 LYS 312 HB3 -0.00 -0.05 0.08 -0.04 1.79 1.78 1oq9A1 LYS 312 HG2 -0.00 -0.02 -0.04 -0.04 1.46 1.36 1oq9A1 LYS 312 HG3 -0.01 -0.09 -0.13 -0.04 1.46 1.19 1oq9A1 LYS 312 HD2 -0.01 0.06 0.03 -0.04 1.69 1.73 1oq9A1 LYS 312 HD3 -0.00 -0.03 -0.00 -0.04 1.68 1.60 1oq9A1 LYS 312 HE2 -0.01 -0.02 -0.02 -0.04 2.99 2.90 1oq9A1 LYS 312 HE3 -0.01 -0.04 -0.04 -0.04 2.99 2.86 1oq9A1 LEU 313 H 0.01 0.35 -0.21 -0.55 8.37 7.97 1oq9A1 LEU 313 HA 0.02 0.11 0.62 -0.75 4.35 4.34 1oq9A1 LEU 313 HB2 0.02 0.14 0.07 -0.04 1.64 1.83 1oq9A1 LEU 313 HB3 0.06 -0.11 -0.05 -0.04 1.64 1.49 1oq9A1 LEU 313 HG -0.06 0.27 -0.15 -0.04 1.64 1.66 1oq9A1 LEU 313 HD13 -0.04 -0.03 0.00 -0.04 0.93 0.83 1oq9A1 LEU 313 HD23 0.07 -0.03 0.06 -0.04 0.89 0.95 1oq9A1 THR 314 H 0.02 0.21 0.06 -0.55 8.28 8.02 1oq9A1 THR 314 HA 0.02 0.12 0.72 -0.75 4.39 4.50 1oq9A1 THR 314 HB 0.01 -0.02 0.02 -0.04 4.32 4.29 1oq9A1 THR 314 HG23 0.01 0.01 -0.10 -0.04 1.22 1.09 1oq9A1 GLY 315 H 0.01 0.11 0.16 -0.55 8.43 8.17 1oq9A1 GLY 315 HA2 0.01 0.01 0.36 -0.51 4.01 3.88 1oq9A1 GLY 315 HA3 0.01 0.07 0.37 -0.51 4.01 3.95 1oq9A1 LEU 316 H 0.02 0.08 0.02 -0.55 8.37 7.94 1oq9A1 LEU 316 HA 0.02 0.16 0.77 -0.75 4.35 4.54 1oq9A1 LEU 316 HB2 0.03 0.03 -0.09 -0.04 1.64 1.56 1oq9A1 LEU 316 HB3 0.03 -0.17 -0.08 -0.04 1.64 1.38 1oq9A1 LEU 316 HG 0.05 0.04 -0.49 -0.04 1.64 1.19 1oq9A1 LEU 316 HD13 0.06 0.06 -0.12 -0.04 0.93 0.89 1oq9A1 LEU 316 HD23 0.07 0.00 -0.23 -0.04 0.89 0.70 1oq9A1 SER 317 H 0.01 0.08 0.14 -0.55 8.46 8.14 1oq9A1 SER 317 HA 0.00 0.23 0.62 -0.75 4.49 4.59 1oq9A1 SER 317 HB2 -0.00 0.09 0.17 -0.04 3.95 4.17 1oq9A1 SER 317 HB3 -0.00 -0.26 0.10 -0.04 3.93 3.72 1oq9A1 ALA 318 H -0.00 0.22 0.19 -0.55 8.40 8.26 1oq9A1 ALA 318 HA 0.01 0.16 0.57 -0.75 4.34 4.32 1oq9A1 ALA 318 HB3 -0.00 0.04 0.12 -0.04 1.41 1.53 1oq9A1 GLU 319 H -0.01 0.10 -0.01 -0.55 8.60 8.14 1oq9A1 GLU 319 HA -0.01 0.15 0.50 -0.75 4.29 4.18 1oq9A1 GLU 319 HB2 -0.01 0.01 0.11 -0.04 2.09 2.15 1oq9A1 GLU 319 HB3 -0.01 -0.01 0.01 -0.04 1.99 1.93 1oq9A1 GLU 319 HG2 -0.02 0.04 0.01 -0.04 2.34 2.33 1oq9A1 GLU 319 HG3 -0.02 0.03 -0.04 -0.04 2.34 2.27 1oq9A1 GLY 320 H 0.01 -0.10 -0.49 -0.55 8.43 7.29 1oq9A1 GLY 320 HA2 0.03 0.15 0.54 -0.51 4.01 4.22 1oq9A1 GLY 320 HA3 0.02 -0.07 0.30 -0.51 4.01 3.75 1oq9A1 GLN 321 H 0.02 0.50 -0.15 -0.55 8.47 8.29 1oq9A1 GLN 321 HA 0.03 0.11 0.54 -0.75 4.36 4.28 1oq9A1 GLN 321 HB2 0.01 0.03 0.16 -0.04 2.15 2.31 1oq9A1 GLN 321 HB3 0.02 -0.00 -0.01 -0.04 2.02 1.99 1oq9A1 GLN 321 HG2 0.02 0.02 0.00 -0.04 2.40 2.40 1oq9A1 GLN 321 HG3 0.02 0.06 -0.16 -0.04 2.39 2.27 1oq9A1 GLN 321 HE21 0.01 -0.01 0.00 -0.04 6.97 6.93 1oq9A1 GLN 321 HE22 0.01 0.03 0.01 -0.04 7.69 7.70 1oq9A1 LYS 322 H 0.02 0.40 -0.14 -0.55 8.42 8.14 1oq9A1 LYS 322 HA 0.03 0.08 0.53 -0.75 4.32 4.21 1oq9A1 LYS 322 HB2 0.00 0.07 0.14 -0.04 1.87 2.04 1oq9A1 LYS 322 HB3 -0.00 0.02 -0.08 -0.04 1.79 1.69 1oq9A1 LYS 322 HG2 0.01 0.01 0.03 -0.04 1.46 1.46 1oq9A1 LYS 322 HG3 0.01 -0.01 0.03 -0.04 1.46 1.45 1oq9A1 LYS 322 HD2 -0.00 -0.04 -0.03 -0.04 1.69 1.58 1oq9A1 LYS 322 HD3 -0.01 -0.01 -0.01 -0.04 1.68 1.61 1oq9A1 LYS 322 HE2 -0.02 0.01 -0.02 -0.04 2.99 2.91 1oq9A1 LYS 322 HE3 -0.00 0.01 -0.02 -0.04 2.99 2.94 1oq9A1 ALA 323 H 0.03 0.25 -0.33 -0.55 8.40 7.80 1oq9A1 ALA 323 HA 0.06 0.05 0.43 -0.75 4.34 4.13 1oq9A1 ALA 323 HB3 0.06 0.07 -0.00 -0.04 1.41 1.49 1oq9A1 GLN 324 H 0.06 0.43 -0.21 -0.55 8.47 8.20 1oq9A1 GLN 324 HA 0.06 0.02 0.36 -0.75 4.36 4.04 1oq9A1 GLN 324 HB2 0.06 0.06 0.15 -0.04 2.15 2.38 1oq9A1 GLN 324 HB3 0.04 0.07 0.17 -0.04 2.02 2.26 1oq9A1 GLN 324 HG2 0.02 -0.06 -0.23 -0.04 2.40 2.09 1oq9A1 GLN 324 HG3 0.04 0.08 0.01 -0.04 2.39 2.48 1oq9A1 GLN 324 HE21 0.02 0.05 0.12 -0.04 6.97 7.12 1oq9A1 GLN 324 HE22 0.02 0.48 0.13 -0.04 7.69 8.28 1oq9A1 ASP 325 H 0.05 0.45 -0.25 -0.55 8.40 8.09 1oq9A1 ASP 325 HA 0.02 0.03 0.44 -0.75 4.63 4.37 1oq9A1 ASP 325 HB2 0.04 0.17 0.17 -0.04 2.71 3.05 1oq9A1 ASP 325 HB3 0.05 0.01 -0.05 -0.04 2.70 2.67 1oq9A1 TYR 326 H 0.15 0.37 -0.33 -0.55 8.29 7.93 1oq9A1 TYR 326 HA -0.01 0.05 0.44 -0.75 4.56 4.28 1oq9A1 TYR 326 HB2 -0.01 0.03 0.09 -0.04 3.06 3.14 1oq9A1 TYR 326 HB3 -0.02 0.08 0.16 -0.04 2.98 3.16 1oq9A1 TYR 326 HD2 -0.01 -0.02 -0.07 -0.04 7.15 7.01 1oq9A1 TYR 326 HE2 0.01 -0.01 -0.10 -0.04 6.85 6.71 1oq9A1 VAL 327 H 0.03 0.47 -0.07 -0.55 8.24 8.11 1oq9A1 VAL 327 HA -0.25 0.07 0.44 -0.75 4.13 3.63 1oq9A1 VAL 327 HB -0.23 0.05 -0.02 -0.04 2.12 1.88 1oq9A1 VAL 327 HG13 -1.08 -0.01 -0.05 -0.04 0.97 -0.21 1oq9A1 VAL 327 HG23 -0.05 0.10 0.04 -0.04 0.95 0.99 1oq9A1 CYS 328 H -0.06 0.38 -0.21 -0.55 8.50 8.06 1oq9A1 CYS 328 HA -0.06 0.03 0.42 -0.75 4.58 4.22 1oq9A1 CYS 328 HB2 -0.02 0.10 0.12 -0.04 2.97 3.13 1oq9A1 CYS 328 HB3 -0.03 -0.04 -0.03 -0.04 2.97 2.83 1oq9A1 ARG 329 H -0.09 0.33 -0.31 -0.55 8.46 7.83 1oq9A1 ARG 329 HA -0.05 0.09 0.60 -0.75 4.34 4.24 1oq9A1 ARG 329 HB2 -0.05 0.28 0.14 -0.04 1.90 2.23 1oq9A1 ARG 329 HB3 -0.06 -0.05 0.03 -0.04 1.80 1.69 1oq9A1 ARG 329 HG2 -0.02 -0.05 0.02 -0.04 1.67 1.59 1oq9A1 ARG 329 HG3 -0.02 -0.02 0.01 -0.04 1.67 1.60 1oq9A1 ARG 329 HD2 -0.01 -0.05 -0.04 -0.04 3.22 3.08 1oq9A1 ARG 329 HD3 -0.01 0.25 0.07 -0.04 3.22 3.49 1oq9A1 LEU 330 H -0.16 0.22 -0.40 -0.55 8.37 7.49 1oq9A1 LEU 330 HA -0.13 0.04 0.43 -0.75 4.35 3.93 1oq9A1 LEU 330 HB2 -0.38 0.27 0.15 -0.04 1.64 1.64 1oq9A1 LEU 330 HB3 -0.14 0.03 0.02 -0.04 1.64 1.50 1oq9A1 LEU 330 HG -0.07 -0.09 -0.01 -0.04 1.64 1.43 1oq9A1 LEU 330 HD13 -0.44 0.01 -0.03 -0.04 0.93 0.43 1oq9A1 LEU 330 HD23 -0.09 0.00 -0.07 -0.04 0.89 0.70 1oq9A1 PRO 331 HA 0.02 0.01 0.50 -0.51 4.44 4.46 1oq9A1 PRO 331 HB2 -0.01 0.07 0.00 -0.04 2.28 2.30 1oq9A1 PRO 331 HB3 0.01 0.01 0.07 -0.04 2.02 2.06 1oq9A1 PRO 331 HG2 -0.02 0.06 -0.00 -0.04 2.03 2.02 1oq9A1 PRO 331 HG3 -0.01 -0.04 -0.10 -0.04 2.03 1.85 1oq9A1 PRO 331 HD2 -0.06 0.27 -0.26 -0.04 3.68 3.59 1oq9A1 PRO 331 HD3 -0.09 0.24 0.04 -0.04 3.65 3.81 1oq9A1 PRO 332 HA 0.00 0.05 0.56 -0.51 4.44 4.54 1oq9A1 PRO 332 HB2 -0.01 0.08 -0.04 -0.04 2.28 2.26 1oq9A1 PRO 332 HB3 -0.01 -0.01 0.05 -0.04 2.02 2.02 1oq9A1 PRO 332 HG2 -0.02 0.07 0.03 -0.04 2.03 2.07 1oq9A1 PRO 332 HG3 -0.01 -0.00 0.01 -0.04 2.03 1.99 1oq9A1 PRO 332 HD2 -0.03 0.32 -0.30 -0.04 3.68 3.63 1oq9A1 PRO 332 HD3 -0.02 0.14 -0.00 -0.04 3.65 3.72 1oq9A1 ARG 333 H -0.02 0.31 -0.30 -0.55 8.46 7.89 1oq9A1 ARG 333 HA -0.01 0.01 0.35 -0.75 4.34 3.94 1oq9A1 ARG 333 HB2 -0.04 0.24 0.19 -0.04 1.90 2.24 1oq9A1 ARG 333 HB3 -0.03 0.05 0.04 -0.04 1.80 1.82 1oq9A1 ARG 333 HG2 -0.01 -0.03 0.07 -0.04 1.67 1.66 1oq9A1 ARG 333 HG3 -0.02 -0.02 0.01 -0.04 1.67 1.61 1oq9A1 ARG 333 HD2 -0.00 0.02 -0.10 -0.04 3.22 3.09 1oq9A1 ARG 333 HD3 0.00 -0.05 -0.02 -0.04 3.22 3.11 1oq9A1 ILE 334 H 0.02 0.43 -0.15 -0.55 8.25 8.00 1oq9A1 ILE 334 HA 0.03 0.08 0.41 -0.75 4.18 3.94 1oq9A1 ILE 334 HB 0.09 0.06 0.10 -0.04 1.89 2.10 1oq9A1 ILE 334 HG12 0.08 -0.03 -0.02 -0.04 1.49 1.49 1oq9A1 ILE 334 HG13 0.04 0.05 -0.01 -0.04 1.21 1.25 1oq9A1 ILE 334 HG23 0.14 -0.03 -0.15 -0.04 0.93 0.85 1oq9A1 ILE 334 HD13 0.23 -0.02 -0.08 -0.04 0.88 0.96 1oq9A1 ARG 335 H 0.02 0.31 -0.23 -0.55 8.46 8.01 1oq9A1 ARG 335 HA 0.02 -0.04 0.30 -0.75 4.34 3.86 1oq9A1 ARG 335 HB2 0.01 0.14 0.16 -0.04 1.90 2.17 1oq9A1 ARG 335 HB3 0.01 0.07 0.01 -0.04 1.80 1.84 1oq9A1 ARG 335 HG2 0.00 -0.02 0.00 -0.04 1.67 1.61 1oq9A1 ARG 335 HG3 0.00 -0.05 0.11 -0.04 1.67 1.69 1oq9A1 ARG 335 HD2 0.00 -0.05 0.01 -0.04 3.22 3.13 1oq9A1 ARG 335 HD3 0.01 0.01 -0.00 -0.04 3.22 3.20 1oq9A1 ARG 336 H 0.01 0.31 -0.58 -0.55 8.46 7.64 1oq9A1 ARG 336 HA 0.00 0.04 0.67 -0.75 4.34 4.30 1oq9A1 ARG 336 HB2 0.00 0.15 0.15 -0.04 1.90 2.16 1oq9A1 ARG 336 HB3 0.00 -0.07 0.13 -0.04 1.80 1.81 1oq9A1 ARG 336 HG2 0.00 -0.03 -0.09 -0.04 1.67 1.51 1oq9A1 ARG 336 HG3 -0.00 0.05 -0.00 -0.04 1.67 1.67 1oq9A1 ARG 336 HD2 -0.00 -0.04 -0.01 -0.04 3.22 3.13 1oq9A1 ARG 336 HD3 0.00 -0.02 0.01 -0.04 3.22 3.17 1oq9A1 LEU 337 H -0.00 0.47 -0.19 -0.55 8.37 8.10 1oq9A1 LEU 337 HA -0.00 0.14 0.45 -0.75 4.35 4.19 1oq9A1 LEU 337 HB2 0.00 0.24 -0.26 -0.04 1.64 1.59 1oq9A1 LEU 337 HB3 -0.01 -0.06 -0.00 -0.04 1.64 1.53 1oq9A1 LEU 337 HG -0.01 -0.05 0.06 -0.04 1.64 1.60 1oq9A1 LEU 337 HD13 -0.00 0.01 0.02 -0.04 0.93 0.93 1oq9A1 LEU 337 HD23 -0.02 -0.03 0.01 -0.04 0.89 0.81 1oq9A1 LYS 346 HA 0.00 -0.03 0.19 -0.75 4.32 3.73 1oq9A1 LYS 346 HB2 0.00 -0.01 0.07 -0.04 1.87 1.89 1oq9A1 LYS 346 HB3 0.00 -0.02 -0.03 -0.04 1.79 1.70 1oq9A1 LYS 346 HG2 0.00 0.00 0.04 -0.04 1.46 1.46 1oq9A1 LYS 346 HG3 0.00 -0.01 0.02 -0.04 1.46 1.43 1oq9A1 LYS 346 HD2 0.00 0.01 -0.08 -0.04 1.69 1.58 1oq9A1 LYS 346 HD3 0.00 -0.01 -0.01 -0.04 1.68 1.62 1oq9A1 LYS 346 HE2 0.00 0.00 -0.01 -0.04 2.99 2.95 1oq9A1 LYS 346 HE3 0.00 -0.01 -0.04 -0.04 2.99 2.90 1oq9A1 GLU 347 H 0.00 0.06 0.11 -0.55 8.60 8.23 1oq9A1 GLU 347 HA 0.00 0.16 0.84 -0.75 4.29 4.53 1oq9A1 GLU 347 HB2 0.00 -0.08 0.26 -0.04 2.09 2.24 1oq9A1 GLU 347 HB3 0.00 -0.01 0.08 -0.04 1.99 2.02 1oq9A1 GLU 347 HG2 0.00 -0.00 -0.16 -0.04 2.34 2.14 1oq9A1 GLU 347 HG3 0.00 0.00 0.12 -0.04 2.34 2.42 1oq9A1 ALA 348 H 0.01 0.03 0.15 -0.55 8.40 8.03 1oq9A1 ALA 348 HA 0.01 0.08 0.36 -0.75 4.34 4.03 1oq9A1 ALA 348 HB3 0.01 -0.03 0.09 -0.04 1.41 1.44 1oq9A1 PRO 349 HA 0.00 0.16 0.56 -0.51 4.44 4.66 1oq9A1 PRO 349 HB2 -0.02 0.13 0.08 -0.04 2.28 2.43 1oq9A1 PRO 349 HB3 -0.01 0.05 0.10 -0.04 2.02 2.12 1oq9A1 PRO 349 HG2 -0.04 0.00 -0.08 -0.04 2.03 1.87 1oq9A1 PRO 349 HG3 -0.02 0.03 0.05 -0.04 2.03 2.05 1oq9A1 PRO 349 HD2 0.00 -0.03 0.20 -0.04 3.68 3.80 1oq9A1 PRO 349 HD3 0.00 0.19 0.21 -0.04 3.65 4.01 1oq9A1 THR 350 H 0.00 0.14 0.15 -0.55 8.28 8.02 1oq9A1 THR 350 HA 0.03 0.27 0.69 -0.75 4.39 4.63 1oq9A1 THR 350 HB 0.01 -0.01 -0.07 -0.04 4.32 4.22 1oq9A1 THR 350 HG23 0.04 -0.04 -0.35 -0.04 1.22 0.83 1oq9A1 MET 351 H 0.07 0.57 0.24 -0.55 8.47 8.80 1oq9A1 MET 351 HA -0.08 0.16 0.76 -0.75 4.52 4.61 1oq9A1 MET 351 HB2 -0.22 0.02 -0.07 -0.04 2.15 1.84 1oq9A1 MET 351 HB3 -0.10 0.00 -0.10 -0.04 2.03 1.79 1oq9A1 MET 351 HG2 -0.61 -0.08 -0.17 -0.04 2.63 1.73 1oq9A1 MET 351 HG3 -0.47 0.26 -0.43 -0.04 2.56 1.88 1oq9A1 MET 351 HE3 -0.20 0.01 0.04 -0.04 2.10 1.91 1oq9A1 PRO 352 HA 0.09 0.30 0.41 -0.51 4.44 4.73 1oq9A1 PRO 352 HB2 -0.04 -0.08 -0.13 -0.04 2.28 1.99 1oq9A1 PRO 352 HB3 0.01 0.26 -0.05 -0.04 2.02 2.20 1oq9A1 PRO 352 HG2 -0.10 -0.03 0.03 -0.04 2.03 1.89 1oq9A1 PRO 352 HG3 -0.04 0.07 0.02 -0.04 2.03 2.04 1oq9A1 PRO 352 HD2 -0.14 0.08 0.20 -0.04 3.68 3.78 1oq9A1 PRO 352 HD3 -0.05 0.16 0.09 -0.04 3.65 3.81 1oq9A1 PHE 353 H 0.20 0.58 0.12 -0.55 8.34 8.69 1oq9A1 PHE 353 HA -0.20 0.14 0.78 -0.75 4.62 4.58 1oq9A1 PHE 353 HB2 -0.01 0.10 0.06 -0.04 3.15 3.26 1oq9A1 PHE 353 HB3 -0.19 -0.18 -0.03 -0.04 3.06 2.61 1oq9A1 PHE 353 HD2 -0.36 0.00 -0.13 -0.04 7.28 6.75 1oq9A1 PHE 353 HE2 -0.06 0.04 -0.16 -0.04 7.38 7.16 1oq9A1 PHE 353 HZ 0.02 0.09 -0.25 -0.04 7.32 7.14 1oq9A1 SER 354 H -0.20 0.22 0.08 -0.55 8.46 8.01 1oq9A1 SER 354 HA 0.00 0.07 0.39 -0.75 4.49 4.19 1oq9A1 SER 354 HB2 -0.01 0.07 0.07 -0.04 3.95 4.05 1oq9A1 SER 354 HB3 -0.09 0.04 0.07 -0.04 3.93 3.91 1oq9A1 TRP 355 H -0.04 0.09 -0.25 -0.55 7.97 7.22 1oq9A1 TRP 355 HA -0.09 0.08 0.35 -0.75 4.62 4.22 1oq9A1 TRP 355 HB2 0.06 0.03 -0.07 -0.04 3.23 3.21 1oq9A1 TRP 355 HB3 -0.01 0.05 -0.01 -0.04 3.23 3.22 1oq9A1 TRP 355 HD1 -0.00 -0.02 -0.26 -0.04 7.22 6.89 1oq9A1 TRP 355 HE1 0.03 0.06 -0.06 -0.04 10.20 10.18 1oq9A1 TRP 355 HE3 0.01 0.03 0.00 -0.04 7.59 7.58 1oq9A1 TRP 355 HZ2 0.03 -0.00 -0.10 -0.04 7.44 7.33 1oq9A1 TRP 355 HZ3 -0.09 0.10 0.01 -0.04 7.13 7.11 1oq9A1 TRP 355 HH2 -0.24 0.02 -0.05 -0.04 7.19 6.87 1oq9A1 ILE 356 H 0.15 0.27 -0.56 -0.55 8.25 7.56 1oq9A1 ILE 356 HA -0.05 0.19 0.88 -0.75 4.18 4.45 1oq9A1 ILE 356 HB 0.13 0.05 0.20 -0.04 1.89 2.23 1oq9A1 ILE 356 HG12 0.17 -0.12 -0.10 -0.04 1.49 1.40 1oq9A1 ILE 356 HG13 0.17 0.14 0.05 -0.04 1.21 1.53 1oq9A1 ILE 356 HG23 0.11 0.06 -0.10 -0.04 0.93 0.95 1oq9A1 ILE 356 HD13 0.11 -0.00 -0.16 -0.04 0.88 0.79 1oq9A1 PHE 357 H -0.32 0.30 -0.15 -0.55 8.34 7.62 1oq9A1 PHE 357 HA 0.05 0.03 0.33 -0.75 4.62 4.27 1oq9A1 PHE 357 HB2 0.02 0.14 -0.05 -0.04 3.15 3.22 1oq9A1 PHE 357 HB3 0.02 0.00 0.16 -0.04 3.06 3.20 1oq9A1 PHE 357 HD2 0.01 0.05 -0.16 -0.04 7.28 7.14 1oq9A1 PHE 357 HE2 -0.02 0.04 -0.24 -0.04 7.38 7.13 1oq9A1 PHE 357 HZ -0.02 0.04 -0.10 -0.04 7.32 7.19 1oq9A1 ASP 358 H 0.09 0.25 -0.22 -0.55 8.40 7.98 1oq9A1 ASP 358 HA 0.06 -0.11 0.02 -0.75 4.63 3.84 1oq9A1 ASP 358 HB2 0.08 0.15 -0.35 -0.04 2.71 2.55 1oq9A1 ASP 358 HB3 0.04 0.01 0.14 -0.04 2.70 2.85 1oq9A1 ARG 359 H 0.14 0.43 -0.33 -0.55 8.46 8.15 1oq9A1 ARG 359 HA 0.08 0.08 0.64 -0.75 4.34 4.38 1oq9A1 ARG 359 HB2 0.12 0.03 0.08 -0.04 1.90 2.09 1oq9A1 ARG 359 HB3 0.09 -0.05 0.10 -0.04 1.80 1.90 1oq9A1 ARG 359 HG2 0.07 -0.04 0.04 -0.04 1.67 1.71 1oq9A1 ARG 359 HG3 0.14 0.14 0.04 -0.04 1.67 1.95 1oq9A1 ARG 359 HD2 0.06 -0.05 0.05 -0.04 3.22 3.24 1oq9A1 ARG 359 HD3 0.07 -0.01 0.02 -0.04 3.22 3.26 1oq9A1 GLN 360 H 0.07 0.15 0.13 -0.55 8.47 8.28 1oq9A1 GLN 360 HA 0.15 0.27 0.70 -0.75 4.36 4.72 1oq9A1 GLN 360 HB2 0.05 -0.01 -0.06 -0.04 2.15 2.08 1oq9A1 GLN 360 HB3 0.05 -0.04 -0.30 -0.04 2.02 1.69 1oq9A1 GLN 360 HG2 0.04 0.04 -0.43 -0.04 2.40 2.02 1oq9A1 GLN 360 HG3 0.04 0.01 -0.07 -0.04 2.39 2.32 1oq9A1 GLN 360 HE21 0.00 -0.01 -0.05 -0.04 6.97 6.87 1oq9A1 GLN 360 HE22 0.01 0.04 -0.04 -0.04 7.69 7.67 1oq9A1 VAL 361 H 0.19 0.58 0.27 -0.55 8.24 8.72 1oq9A1 VAL 361 HA 0.07 0.12 0.71 -0.75 4.13 4.28 1oq9A1 VAL 361 HB 0.04 -0.04 0.13 -0.04 2.12 2.21 1oq9A1 VAL 361 HG13 0.04 -0.00 -0.34 -0.04 0.97 0.63 1oq9A1 VAL 361 HG23 -0.03 0.06 -0.14 -0.04 0.95 0.79 1oq9A1 LYS 362 H 0.05 0.08 0.13 -0.55 8.42 8.13 1oq9A1 LYS 362 HA 0.04 0.17 0.52 -0.75 4.32 4.30 1oq9A1 LYS 362 HB2 0.03 -0.09 0.11 -0.04 1.87 1.88 1oq9A1 LYS 362 HB3 0.03 0.06 -0.05 -0.04 1.79 1.78 1oq9A1 LYS 362 HG2 0.02 0.12 -0.23 -0.04 1.46 1.33 1oq9A1 LYS 362 HG3 0.02 -0.06 -0.08 -0.04 1.46 1.30 1oq9A1 LYS 362 HD2 0.02 -0.00 -0.07 -0.04 1.69 1.59 1oq9A1 LYS 362 HD3 0.01 0.07 -0.03 -0.04 1.68 1.70 1oq9A1 LYS 362 HE2 0.02 0.01 -0.02 -0.04 2.99 2.95 1oq9A1 LYS 362 HE3 0.02 -0.07 -0.01 -0.04 2.99 2.89 1oq9A1 LEU 363 H 0.03 0.56 0.10 -0.55 8.37 8.51 1oq9A1 LEU 363 HA 0.08 0.15 0.34 -0.75 4.35 4.16 1oq9A1 LEU 363 HB2 0.01 0.16 0.00 -0.04 1.64 1.77 1oq9A1 LEU 363 HB3 0.02 -0.04 0.06 -0.04 1.64 1.64 1oq9A1 LEU 363 HG 0.09 -0.03 0.03 -0.04 1.64 1.69 1oq9A1 LEU 363 HD13 0.13 -0.01 -0.07 -0.04 0.93 0.93 1oq9A1 LEU 363 HD23 -0.16 -0.01 -0.05 -0.04 0.89 0.62