============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 2 1.000 31.872 55.488 -22.010 -99.200 -91.000 PHE 19 1.000 34.165 59.368 -9.775 -99.200 -91.000 PHE 30 1.000 47.687 57.366 -2.248 -99.200 -91.000 HIS 32 0.900 52.484 63.270 -1.436 -99.200 -91.000 PHE 40 1.000 60.738 65.070 -4.548 -99.200 -91.000 PHE 49 1.000 56.504 61.297 -3.307 -99.200 -91.000 PHE 57 1.000 43.537 55.094 -6.171 -99.200 -91.000 TYR 63 0.840 39.209 47.951 -11.845 -99.200 -91.000 PHE 68 1.000 41.747 52.980 -14.795 -99.200 -91.000 PHE 71 1.000 44.809 56.767 -18.104 -99.200 -91.000 TYR 86 0.840 40.425 73.717 -22.942 -99.200 -91.000 HIS 104 0.900 49.304 74.773 -7.428 -99.200 -91.000 HIS 114 0.900 51.234 63.163 -23.152 -99.200 -91.000 PHE 116 1.000 49.540 56.901 -15.035 -99.200 -91.000 TYR 125 0.840 39.367 63.580 -22.759 -99.200 -91.000 HIS 144 0.900 53.132 100.184 -13.576 -99.200 -91.000 TYR 147 0.840 53.435 95.421 -12.364 -99.200 -91.000 PHE 153 1.000 38.185 80.886 -10.895 -99.200 -91.000 HIS 154 0.900 41.054 77.668 -4.933 -99.200 -91.000 TYR 173 0.840 27.404 78.858 -12.926 -99.200 -91.000 HIS 182 0.900 38.256 75.962 -2.809 -99.200 -91.000 HIS 192 0.900 30.939 81.815 -9.557 -99.200 -91.000 PHE 210 1.000 45.840 86.435 7.283 -99.200 -91.000 PHE 228 1.000 65.600 97.396 -4.365 -99.200 -91.000 PHE 232 1.000 69.734 91.664 -3.898 -99.200 -91.000 TYR 234 0.840 65.410 87.154 -9.047 -99.200 -91.000 TYR 250 0.840 50.780 87.004 11.094 -99.200 -91.000 TRP 269 1.040 50.344 85.611 17.802 -99.200 -91.000 TRP6 269 1.020 50.678 87.911 17.365 -99.200 -91.000 TYR 274 0.840 40.803 80.371 12.462 -99.200 -91.000 TYR 279 0.840 38.565 93.167 9.430 -99.200 -91.000 TRP 284 1.040 39.964 90.603 -1.344 -99.200 -91.000 TRP6 284 1.020 41.290 91.261 0.506 -99.200 -91.000 PHE 298 1.000 20.497 81.596 -2.400 -99.200 -91.000 HIS 307 0.900 34.871 70.090 5.927 -99.200 -91.000 PHE 311 1.000 36.489 79.489 17.771 -99.200 -91.000 TRP 315 1.040 34.648 84.934 14.707 -99.200 -91.000 TRP6 315 1.020 36.850 84.147 15.057 -99.200 -91.000 PHE 322 1.000 26.568 93.909 4.018 -99.200 -91.000 PHE 329 1.000 26.409 74.024 -1.400 -99.200 -91.000 TYR 355 0.840 46.749 75.123 -23.602 -99.200 -91.000 TRP 362 1.040 40.600 84.009 -23.533 -99.200 -91.000 TRP6 362 1.020 42.101 85.555 -22.557 -99.200 -91.000 TYR 366 0.840 42.514 91.365 -23.563 -99.200 -91.000 TYR 369 0.840 37.494 94.629 -25.511 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1x9jG1 MET 1 HA -0.01 -0.14 0.20 -0.75 4.52 3.82 1x9jG1 MET 1 HB2 -0.06 -0.01 0.03 -0.04 2.15 2.07 1x9jG1 MET 1 HB3 -0.10 0.01 0.07 -0.04 2.03 1.97 1x9jG1 MET 1 HG2 0.01 -0.06 -0.14 -0.04 2.63 2.40 1x9jG1 MET 1 HG3 -0.02 0.01 -0.08 -0.04 2.56 2.43 1x9jG1 MET 1 HE3 -0.05 0.01 -0.07 -0.04 2.10 1.95 1x9jG1 PHE 2 H 0.33 0.04 0.12 -0.55 8.34 8.27 1x9jG1 PHE 2 HA -0.03 0.23 0.88 -0.75 4.62 4.95 1x9jG1 PHE 2 HB2 -0.00 -0.10 0.03 -0.04 3.15 3.04 1x9jG1 PHE 2 HB3 -0.01 0.01 -0.01 -0.04 3.06 3.01 1x9jG1 PHE 2 HD2 0.00 -0.07 0.03 -0.04 7.28 7.20 1x9jG1 PHE 2 HE2 0.00 0.01 -0.02 -0.04 7.38 7.33 1x9jG1 PHE 2 HZ -0.00 0.05 -0.03 -0.04 7.32 7.30 1x9jG1 ARG 3 H 0.01 0.21 0.21 -0.55 8.46 8.33 1x9jG1 ARG 3 HA -0.03 0.34 1.06 -0.75 4.34 4.96 1x9jG1 ARG 3 HB2 -0.27 0.02 0.11 -0.04 1.90 1.72 1x9jG1 ARG 3 HB3 -0.36 0.05 0.35 -0.04 1.80 1.80 1x9jG1 ARG 3 HG2 -0.67 -0.08 -0.19 -0.04 1.67 0.68 1x9jG1 ARG 3 HG3 -0.39 0.01 -0.01 -0.04 1.67 1.24 1x9jG1 ARG 3 HD2 -1.29 0.26 -0.01 -0.04 3.22 2.15 1x9jG1 ARG 3 HD3 -1.61 -0.09 -0.09 -0.04 3.22 1.39 1x9jG1 ILE 4 H 0.14 0.74 0.39 -0.55 8.25 8.97 1x9jG1 ILE 4 HA 0.14 0.25 1.11 -0.75 4.18 4.92 1x9jG1 ILE 4 HB 0.10 -0.09 0.03 -0.04 1.89 1.89 1x9jG1 ILE 4 HG12 0.05 0.04 -0.28 -0.04 1.49 1.26 1x9jG1 ILE 4 HG13 0.10 0.02 -0.40 -0.04 1.21 0.89 1x9jG1 ILE 4 HG23 0.02 0.01 -0.21 -0.04 0.93 0.71 1x9jG1 ILE 4 HD13 -0.05 -0.01 -0.14 -0.04 0.88 0.64 1x9jG1 LEU 5 H 0.04 0.52 0.35 -0.55 8.37 8.74 1x9jG1 LEU 5 HA 0.25 0.31 1.15 -0.75 4.35 5.31 1x9jG1 LEU 5 HB2 -0.57 0.02 -0.02 -0.04 1.64 1.03 1x9jG1 LEU 5 HB3 -0.23 0.00 0.20 -0.04 1.64 1.57 1x9jG1 LEU 5 HG 0.13 0.01 -0.28 -0.04 1.64 1.45 1x9jG1 LEU 5 HD13 0.25 0.04 -0.04 -0.04 0.93 1.14 1x9jG1 LEU 5 HD23 0.11 -0.01 -0.10 -0.04 0.89 0.84 1x9jG1 THR 6 H 0.18 0.63 0.38 -0.55 8.28 8.91 1x9jG1 THR 6 HA 0.06 0.35 1.05 -0.75 4.39 5.09 1x9jG1 THR 6 HB 0.01 -0.02 -0.03 -0.04 4.32 4.24 1x9jG1 THR 6 HG23 0.00 0.03 -0.18 -0.04 1.22 1.03 1x9jG1 ILE 7 H 0.02 0.72 0.48 -0.55 8.25 8.92 1x9jG1 ILE 7 HA -0.02 0.19 0.99 -0.75 4.18 4.58 1x9jG1 ILE 7 HB -0.04 -0.06 0.13 -0.04 1.89 1.88 1x9jG1 ILE 7 HG12 0.03 0.06 -0.22 -0.04 1.49 1.32 1x9jG1 ILE 7 HG13 0.06 0.04 -0.36 -0.04 1.21 0.92 1x9jG1 ILE 7 HG23 -0.09 -0.01 -0.09 -0.04 0.93 0.70 1x9jG1 ILE 7 HD13 -0.12 -0.01 -0.17 -0.04 0.88 0.54 1x9jG1 ASN 8 H -0.03 0.62 0.16 -0.55 8.53 8.74 1x9jG1 ASN 8 HA -0.02 0.13 1.02 -0.75 4.76 5.14 1x9jG1 ASN 8 HB2 0.00 -0.01 -0.16 -0.04 2.88 2.67 1x9jG1 ASN 8 HB3 0.00 -0.07 0.23 -0.04 2.79 2.92 1x9jG1 ASN 8 HD21 0.02 -0.06 -0.12 -0.04 7.03 6.82 1x9jG1 ASN 8 HD22 0.01 0.04 -0.53 -0.04 7.74 7.23 1x9jG1 PRO 9 HA 0.01 0.08 0.65 -0.51 4.44 4.67 1x9jG1 PRO 9 HB2 -0.02 0.14 -0.00 -0.04 2.28 2.36 1x9jG1 PRO 9 HB3 -0.03 0.07 0.05 -0.04 2.02 2.07 1x9jG1 PRO 9 HG2 -0.07 -0.05 -0.02 -0.04 2.03 1.85 1x9jG1 PRO 9 HG3 -0.06 0.07 -0.08 -0.04 2.03 1.92 1x9jG1 PRO 9 HD2 -0.04 0.08 0.20 -0.04 3.68 3.89 1x9jG1 PRO 9 HD3 -0.04 0.15 -0.45 -0.04 3.65 3.27 1x9jG1 GLY 10 H 0.04 0.76 0.46 -0.55 8.43 9.15 1x9jG1 GLY 10 HA2 0.05 0.13 0.89 -0.51 4.01 4.57 1x9jG1 GLY 10 HA3 0.04 -0.11 0.32 -0.51 4.01 3.76 1x9jG1 SER 11 H -0.01 0.10 0.19 -0.55 8.46 8.19 1x9jG1 SER 11 HA -0.11 0.04 0.48 -0.75 4.49 4.14 1x9jG1 SER 11 HB2 -0.02 -0.07 0.16 -0.04 3.95 3.98 1x9jG1 SER 11 HB3 -0.07 0.14 0.09 -0.04 3.93 4.06 1x9jG1 THR 12 H 0.03 -0.13 -0.02 -0.55 8.28 7.60 1x9jG1 THR 12 HA 0.09 0.35 1.02 -0.75 4.39 5.10 1x9jG1 THR 12 HB 0.04 0.06 0.13 -0.04 4.32 4.51 1x9jG1 THR 12 HG23 0.03 0.01 -0.09 -0.04 1.22 1.13 1x9jG1 SER 13 H 0.04 -0.13 -0.04 -0.55 8.46 7.78 1x9jG1 SER 13 HA -0.25 0.34 1.02 -0.75 4.49 4.84 1x9jG1 SER 13 HB2 -0.06 0.04 -0.08 -0.04 3.95 3.81 1x9jG1 SER 13 HB3 -0.04 -0.01 -0.17 -0.04 3.93 3.67 1x9jG1 THR 14 H -0.04 0.46 0.17 -0.55 8.28 8.32 1x9jG1 THR 14 HA 0.03 0.11 0.82 -0.75 4.39 4.60 1x9jG1 THR 14 HB 0.09 0.02 0.11 -0.04 4.32 4.50 1x9jG1 THR 14 HG23 -0.04 -0.01 -0.19 -0.04 1.22 0.94 1x9jG1 LYS 15 H 0.01 0.55 0.25 -0.55 8.42 8.68 1x9jG1 LYS 15 HA 0.02 0.37 1.21 -0.75 4.32 5.16 1x9jG1 LYS 15 HB2 0.01 -0.04 0.14 -0.04 1.87 1.94 1x9jG1 LYS 15 HB3 0.01 0.03 -0.05 -0.04 1.79 1.74 1x9jG1 LYS 15 HG2 -0.00 0.06 -0.05 -0.04 1.46 1.43 1x9jG1 LYS 15 HG3 0.01 -0.10 -0.13 -0.04 1.46 1.20 1x9jG1 LYS 15 HD2 0.03 0.00 -0.05 -0.04 1.69 1.63 1x9jG1 LYS 15 HD3 0.02 0.02 -0.05 -0.04 1.68 1.63 1x9jG1 LYS 15 HE2 0.03 0.00 -0.03 -0.04 2.99 2.96 1x9jG1 LYS 15 HE3 0.04 -0.05 -0.03 -0.04 2.99 2.91 1x9jG1 LEU 16 H -0.13 0.63 0.44 -0.55 8.37 8.77 1x9jG1 LEU 16 HA -0.10 0.32 0.98 -0.75 4.35 4.80 1x9jG1 LEU 16 HB2 -1.21 -0.02 0.07 -0.04 1.64 0.44 1x9jG1 LEU 16 HB3 -0.61 0.07 0.07 -0.04 1.64 1.13 1x9jG1 LEU 16 HG -0.17 -0.11 -0.44 -0.04 1.64 0.88 1x9jG1 LEU 16 HD13 -0.28 0.01 -0.10 -0.04 0.93 0.52 1x9jG1 LEU 16 HD23 -0.07 0.02 0.06 -0.04 0.89 0.86 1x9jG1 SER 17 H 0.10 0.42 0.34 -0.55 8.46 8.77 1x9jG1 SER 17 HA 0.30 0.24 0.76 -0.75 4.49 5.04 1x9jG1 SER 17 HB2 0.26 0.13 0.12 -0.04 3.95 4.42 1x9jG1 SER 17 HB3 0.19 -0.07 -0.19 -0.04 3.93 3.83 1x9jG1 ILE 18 H 0.22 0.70 0.35 -0.55 8.25 8.98 1x9jG1 ILE 18 HA 0.36 0.38 1.19 -0.75 4.18 5.35 1x9jG1 ILE 18 HB 0.13 -0.07 0.10 -0.04 1.89 2.00 1x9jG1 ILE 18 HG12 0.49 0.05 -0.11 -0.04 1.49 1.88 1x9jG1 ILE 18 HG13 0.55 -0.14 -0.36 -0.04 1.21 1.22 1x9jG1 ILE 18 HG23 -0.01 0.02 -0.16 -0.04 0.93 0.73 1x9jG1 ILE 18 HD13 0.15 0.02 -0.16 -0.04 0.88 0.85 1x9jG1 PHE 19 H 0.37 0.76 0.38 -0.55 8.34 9.30 1x9jG1 PHE 19 HA 0.04 0.16 1.08 -0.75 4.62 5.14 1x9jG1 PHE 19 HB2 0.05 -0.07 0.02 -0.04 3.15 3.10 1x9jG1 PHE 19 HB3 0.03 0.25 -0.22 -0.04 3.06 3.08 1x9jG1 PHE 19 HD2 0.05 0.08 -0.50 -0.04 7.28 6.87 1x9jG1 PHE 19 HE2 0.04 -0.01 -0.19 -0.04 7.38 7.18 1x9jG1 PHE 19 HZ 0.03 -0.14 -0.19 -0.04 7.32 6.98 1x9jG1 GLU 20 H 0.07 0.76 0.17 -0.55 8.60 9.05 1x9jG1 GLU 20 HA 0.05 0.26 0.84 -0.75 4.29 4.68 1x9jG1 GLU 20 HB2 0.01 -0.03 0.17 -0.04 2.09 2.20 1x9jG1 GLU 20 HB3 0.00 0.03 0.00 -0.04 1.99 1.99 1x9jG1 GLU 20 HG2 -0.08 0.06 -0.19 -0.04 2.34 2.09 1x9jG1 GLU 20 HG3 -0.03 -0.06 -0.14 -0.04 2.34 2.07 1x9jG1 ASP 21 H 0.14 0.54 0.13 -0.55 8.40 8.67 1x9jG1 ASP 21 HA 0.14 0.04 0.32 -0.75 4.63 4.38 1x9jG1 ASP 21 HB2 0.07 0.22 0.04 -0.04 2.71 3.00 1x9jG1 ASP 21 HB3 0.08 -0.14 0.27 -0.04 2.70 2.88 1x9jG1 GLU 22 H 0.08 0.15 0.18 -0.55 8.60 8.46 1x9jG1 GLU 22 HA 0.15 0.13 0.56 -0.75 4.29 4.37 1x9jG1 GLU 22 HB2 0.06 0.03 0.04 -0.04 2.09 2.18 1x9jG1 GLU 22 HB3 0.08 -0.02 0.10 -0.04 1.99 2.11 1x9jG1 GLU 22 HG2 0.04 0.03 -0.00 -0.04 2.34 2.36 1x9jG1 GLU 22 HG3 0.04 0.01 -0.06 -0.04 2.34 2.28 1x9jG1 ARG 23 H 0.09 0.41 -0.18 -0.55 8.46 8.22 1x9jG1 ARG 23 HA 0.02 0.12 0.88 -0.75 4.34 4.61 1x9jG1 ARG 23 HB2 0.01 0.11 0.12 -0.04 1.90 2.09 1x9jG1 ARG 23 HB3 -0.03 0.05 -0.09 -0.04 1.80 1.69 1x9jG1 ARG 23 HG2 0.01 0.02 -0.06 -0.04 1.67 1.60 1x9jG1 ARG 23 HG3 0.03 -0.09 -0.06 -0.04 1.67 1.51 1x9jG1 ARG 23 HD2 0.01 0.02 -0.00 -0.04 3.22 3.21 1x9jG1 ARG 23 HD3 -0.00 0.02 -0.03 -0.04 3.22 3.17 1x9jG1 MET 24 H -0.20 0.16 0.14 -0.55 8.47 8.02 1x9jG1 MET 24 HA -1.02 0.12 0.68 -0.75 4.52 3.55 1x9jG1 MET 24 HB2 -1.01 -0.03 0.03 -0.04 2.15 1.10 1x9jG1 MET 24 HB3 -0.31 0.01 0.15 -0.04 2.03 1.84 1x9jG1 MET 24 HG2 -0.27 -0.01 -0.28 -0.04 2.63 2.03 1x9jG1 MET 24 HG3 -0.80 0.05 -0.06 -0.04 2.56 1.72 1x9jG1 MET 24 HE3 -0.04 0.01 -0.09 -0.04 2.10 1.95 1x9jG1 VAL 25 H -0.20 0.53 0.41 -0.55 8.24 8.42 1x9jG1 VAL 25 HA -0.06 0.15 0.73 -0.75 4.13 4.19 1x9jG1 VAL 25 HB 0.02 0.00 0.08 -0.04 2.12 2.17 1x9jG1 VAL 25 HG13 -0.02 0.02 -0.06 -0.04 0.97 0.86 1x9jG1 VAL 25 HG23 -0.01 0.04 -0.12 -0.04 0.95 0.81 1x9jG1 LYS 26 H -0.07 0.26 0.16 -0.55 8.42 8.21 1x9jG1 LYS 26 HA 0.03 0.12 0.45 -0.75 4.32 4.17 1x9jG1 LYS 26 HB2 0.01 0.24 -0.08 -0.04 1.87 2.01 1x9jG1 LYS 26 HB3 0.07 -0.09 -0.09 -0.04 1.79 1.63 1x9jG1 LYS 26 HG2 0.30 -0.08 -0.24 -0.04 1.46 1.40 1x9jG1 LYS 26 HG3 0.05 0.02 0.08 -0.04 1.46 1.57 1x9jG1 LYS 26 HD2 -0.16 0.07 -0.05 -0.04 1.69 1.52 1x9jG1 LYS 26 HD3 -0.58 -0.03 -0.17 -0.04 1.68 0.86 1x9jG1 LYS 26 HE2 -0.39 -0.11 -0.16 -0.04 2.99 2.28 1x9jG1 LYS 26 HE3 -0.07 -0.01 -0.05 -0.04 2.99 2.82 1x9jG1 MET 27 H 0.16 0.38 0.19 -0.55 8.47 8.65 1x9jG1 MET 27 HA 0.27 0.25 0.78 -0.75 4.52 5.06 1x9jG1 MET 27 HB2 0.09 -0.01 0.16 -0.04 2.15 2.35 1x9jG1 MET 27 HB3 0.06 -0.01 -0.25 -0.04 2.03 1.79 1x9jG1 MET 27 HG2 0.04 -0.03 -0.08 -0.04 2.63 2.51 1x9jG1 MET 27 HG3 0.04 0.02 -0.02 -0.04 2.56 2.56 1x9jG1 MET 27 HE3 0.04 -0.03 -0.10 -0.04 2.10 1.97 1x9jG1 GLN 28 H -0.04 0.59 0.38 -0.55 8.47 8.85 1x9jG1 GLN 28 HA -0.05 0.11 0.72 -0.75 4.36 4.39 1x9jG1 GLN 28 HB2 0.35 0.08 -0.26 -0.04 2.15 2.28 1x9jG1 GLN 28 HB3 0.01 -0.02 -0.01 -0.04 2.02 1.96 1x9jG1 GLN 28 HG2 -0.93 -0.04 -0.17 -0.04 2.40 1.23 1x9jG1 GLN 28 HG3 -0.23 0.01 0.11 -0.04 2.39 2.24 1x9jG1 GLN 28 HE21 0.11 0.05 -0.03 -0.04 6.97 7.06 1x9jG1 GLN 28 HE22 0.15 0.02 -0.05 -0.04 7.69 7.77 1x9jG1 ASN 29 H -0.20 0.25 0.13 -0.55 8.53 8.17 1x9jG1 ASN 29 HA -0.03 0.20 1.01 -0.75 4.76 5.20 1x9jG1 ASN 29 HB2 -0.04 -0.02 -0.03 -0.04 2.88 2.75 1x9jG1 ASN 29 HB3 -0.08 0.03 0.16 -0.04 2.79 2.86 1x9jG1 ASN 29 HD21 -0.00 -0.07 -0.10 -0.04 7.03 6.82 1x9jG1 ASN 29 HD22 -0.00 0.00 -0.06 -0.04 7.74 7.64 1x9jG1 PHE 30 H 0.26 0.73 0.26 -0.55 8.34 9.03 1x9jG1 PHE 30 HA -0.07 0.13 0.79 -0.75 4.62 4.71 1x9jG1 PHE 30 HB2 -0.10 -0.03 0.16 -0.04 3.15 3.14 1x9jG1 PHE 30 HB3 -0.05 0.06 0.00 -0.04 3.06 3.03 1x9jG1 PHE 30 HD2 -0.05 0.12 0.02 -0.04 7.28 7.33 1x9jG1 PHE 30 HE2 -0.09 0.01 -0.07 -0.04 7.38 7.19 1x9jG1 PHE 30 HZ 0.33 0.05 -0.07 -0.04 7.32 7.58 1x9jG1 SER 31 H -0.05 0.20 0.21 -0.55 8.46 8.27 1x9jG1 SER 31 HA -0.22 0.09 0.88 -0.75 4.49 4.49 1x9jG1 SER 31 HB2 -0.03 0.03 -0.01 -0.04 3.95 3.89 1x9jG1 SER 31 HB3 -0.05 -0.04 0.00 -0.04 3.93 3.80 1x9jG1 HIS 32 H -0.09 0.94 0.37 -0.55 8.41 9.08 1x9jG1 HIS 32 HA 0.15 0.11 0.95 -0.75 4.63 5.09 1x9jG1 HIS 32 HB2 0.10 0.03 0.09 -0.04 3.26 3.44 1x9jG1 HIS 32 HB3 0.18 -0.01 -0.05 -0.04 3.20 3.28 1x9jG1 HIS 32 HD2 0.07 0.01 -0.39 -0.04 6.97 6.62 1x9jG1 HIS 32 HE1 -0.17 -0.00 -0.18 -0.04 7.75 7.35 1x9jG1 SER 33 H 0.15 0.18 0.13 -0.55 8.46 8.37 1x9jG1 SER 33 HA 0.07 0.15 0.46 -0.75 4.49 4.41 1x9jG1 SER 33 HB2 0.05 -0.00 0.11 -0.04 3.95 4.07 1x9jG1 SER 33 HB3 0.07 0.09 0.13 -0.04 3.93 4.18 1x9jG1 PRO 34 HA 0.04 0.10 0.44 -0.51 4.44 4.52 1x9jG1 PRO 34 HB2 0.03 0.04 0.04 -0.04 2.28 2.35 1x9jG1 PRO 34 HB3 0.03 0.10 0.12 -0.04 2.02 2.22 1x9jG1 PRO 34 HG2 0.03 0.06 0.10 -0.04 2.03 2.19 1x9jG1 PRO 34 HG3 0.04 0.08 0.14 -0.04 2.03 2.24 1x9jG1 PRO 34 HD2 0.04 0.09 0.24 -0.04 3.68 4.00 1x9jG1 PRO 34 HD3 0.05 0.16 0.28 -0.04 3.65 4.09 1x9jG1 ASP 35 H 0.04 0.03 -0.41 -0.55 8.40 7.51 1x9jG1 ASP 35 HA 0.01 0.16 0.49 -0.75 4.63 4.54 1x9jG1 ASP 35 HB2 0.02 -0.02 0.05 -0.04 2.71 2.72 1x9jG1 ASP 35 HB3 0.03 -0.03 -0.03 -0.04 2.70 2.62 1x9jG1 GLU 36 H 0.04 0.27 -0.29 -0.55 8.60 8.08 1x9jG1 GLU 36 HA -0.01 0.16 0.54 -0.75 4.29 4.23 1x9jG1 GLU 36 HB2 0.06 -0.10 0.06 -0.04 2.09 2.08 1x9jG1 GLU 36 HB3 0.08 0.05 0.08 -0.04 1.99 2.16 1x9jG1 GLU 36 HG2 -0.21 0.02 -0.19 -0.04 2.34 1.92 1x9jG1 GLU 36 HG3 -0.02 0.03 -0.00 -0.04 2.34 2.31 1x9jG1 LEU 37 H 0.04 0.53 -0.01 -0.55 8.37 8.39 1x9jG1 LEU 37 HA -0.01 0.01 0.33 -0.75 4.35 3.92 1x9jG1 LEU 37 HB2 0.04 0.00 0.03 -0.04 1.64 1.67 1x9jG1 LEU 37 HB3 0.01 -0.02 0.02 -0.04 1.64 1.61 1x9jG1 LEU 37 HG 0.11 -0.01 -0.20 -0.04 1.64 1.50 1x9jG1 LEU 37 HD13 0.07 -0.01 0.06 -0.04 0.93 1.01 1x9jG1 LEU 37 HD23 -0.06 -0.02 -0.03 -0.04 0.89 0.74 1x9jG1 GLY 38 H 0.03 0.24 -0.65 -0.55 8.43 7.51 1x9jG1 GLY 38 HA2 0.04 0.00 0.47 -0.51 4.01 4.01 1x9jG1 GLY 38 HA3 0.01 0.06 0.32 -0.51 4.01 3.90 1x9jG1 ARG 39 H 0.11 0.09 0.28 -0.55 8.46 8.38 1x9jG1 ARG 39 HA -0.18 0.03 0.38 -0.75 4.34 3.82 1x9jG1 ARG 39 HB2 -0.16 0.22 -0.35 -0.04 1.90 1.57 1x9jG1 ARG 39 HB3 -0.37 0.08 -0.21 -0.04 1.80 1.26 1x9jG1 ARG 39 HG2 -0.65 -0.08 0.09 -0.04 1.67 0.98 1x9jG1 ARG 39 HG3 -0.27 -0.02 0.09 -0.04 1.67 1.43 1x9jG1 ARG 39 HD2 -0.19 0.05 -0.01 -0.04 3.22 3.02 1x9jG1 ARG 39 HD3 -0.43 -0.01 -0.05 -0.04 3.22 2.69 1x9jG1 PHE 40 H 0.17 0.13 0.25 -0.55 8.34 8.33 1x9jG1 PHE 40 HA -0.05 0.11 0.87 -0.75 4.62 4.79 1x9jG1 PHE 40 HB2 -0.07 0.05 0.03 -0.04 3.15 3.12 1x9jG1 PHE 40 HB3 -0.05 -0.05 -0.05 -0.04 3.06 2.87 1x9jG1 PHE 40 HD2 -0.10 0.11 -0.22 -0.04 7.28 7.03 1x9jG1 PHE 40 HE2 -0.25 0.10 -0.06 -0.04 7.38 7.12 1x9jG1 PHE 40 HZ -0.49 -0.03 -0.06 -0.04 7.32 6.70 1x9jG1 GLN 41 H 0.03 0.12 0.12 -0.55 8.47 8.20 1x9jG1 GLN 41 HA 0.01 0.12 0.46 -0.75 4.36 4.20 1x9jG1 GLN 41 HB2 0.01 -0.09 0.16 -0.04 2.15 2.19 1x9jG1 GLN 41 HB3 -0.00 0.03 0.02 -0.04 2.02 2.02 1x9jG1 GLN 41 HG2 -0.02 0.01 0.05 -0.04 2.40 2.39 1x9jG1 GLN 41 HG3 -0.02 0.02 0.02 -0.04 2.39 2.38 1x9jG1 GLN 41 HE21 -0.03 0.03 -0.14 -0.04 6.97 6.79 1x9jG1 GLN 41 HE22 -0.05 0.02 -0.18 -0.04 7.69 7.44 1x9jG1 LYS 42 H 0.04 0.05 0.07 -0.55 8.42 8.02 1x9jG1 LYS 42 HA -0.00 0.28 0.87 -0.75 4.32 4.71 1x9jG1 LYS 42 HB2 0.01 -0.03 0.05 -0.04 1.87 1.85 1x9jG1 LYS 42 HB3 -0.01 -0.06 0.08 -0.04 1.79 1.76 1x9jG1 LYS 42 HG2 -0.02 0.10 -0.04 -0.04 1.46 1.46 1x9jG1 LYS 42 HG3 -0.01 -0.04 -0.12 -0.04 1.46 1.24 1x9jG1 LYS 42 HD2 -0.01 -0.01 -0.01 -0.04 1.69 1.62 1x9jG1 LYS 42 HD3 -0.02 0.03 -0.00 -0.04 1.68 1.66 1x9jG1 LYS 42 HE2 -0.02 -0.02 -0.03 -0.04 2.99 2.88 1x9jG1 LYS 42 HE3 -0.02 0.05 -0.01 -0.04 2.99 2.97 1x9jG1 ILE 43 H -0.02 0.22 0.11 -0.55 8.25 8.01 1x9jG1 ILE 43 HA -0.07 0.16 0.34 -0.75 4.18 3.86 1x9jG1 ILE 43 HB -0.04 -0.01 0.01 -0.04 1.89 1.82 1x9jG1 ILE 43 HG12 -0.04 0.06 0.04 -0.04 1.49 1.51 1x9jG1 ILE 43 HG13 -0.06 -0.06 -0.20 -0.04 1.21 0.85 1x9jG1 ILE 43 HG23 -0.07 -0.02 -0.30 -0.04 0.93 0.49 1x9jG1 ILE 43 HD13 -0.07 0.04 -0.02 -0.04 0.88 0.78 1x9jG1 LEU 44 H -0.02 0.16 -0.18 -0.55 8.37 7.78 1x9jG1 LEU 44 HA -0.04 0.03 0.31 -0.75 4.35 3.90 1x9jG1 LEU 44 HB2 -0.02 0.08 0.08 -0.04 1.64 1.74 1x9jG1 LEU 44 HB3 -0.01 0.01 -0.03 -0.04 1.64 1.58 1x9jG1 LEU 44 HG -0.01 -0.02 -0.05 -0.04 1.64 1.52 1x9jG1 LEU 44 HD13 -0.03 -0.01 0.04 -0.04 0.93 0.88 1x9jG1 LEU 44 HD23 -0.02 0.07 0.02 -0.04 0.89 0.92 1x9jG1 ASP 45 H 0.03 0.39 -0.66 -0.55 8.40 7.62 1x9jG1 ASP 45 HA 0.09 0.09 0.48 -0.75 4.63 4.54 1x9jG1 ASP 45 HB2 0.27 0.18 0.07 -0.04 2.71 3.20 1x9jG1 ASP 45 HB3 0.29 0.04 0.11 -0.04 2.70 3.11 1x9jG1 GLN 46 H -0.11 0.62 -0.16 -0.55 8.47 8.27 1x9jG1 GLN 46 HA -0.64 0.12 0.52 -0.75 4.36 3.60 1x9jG1 GLN 46 HB2 -0.23 0.09 0.07 -0.04 2.15 2.03 1x9jG1 GLN 46 HB3 -0.35 -0.08 0.08 -0.04 2.02 1.63 1x9jG1 GLN 46 HG2 -1.56 0.04 -0.00 -0.04 2.40 0.84 1x9jG1 GLN 46 HG3 -0.42 0.03 0.06 -0.04 2.39 2.03 1x9jG1 GLN 46 HE21 -0.12 0.01 0.03 -0.04 6.97 6.84 1x9jG1 GLN 46 HE22 -0.14 -0.03 -0.01 -0.04 7.69 7.47 1x9jG1 LEU 47 H -0.04 0.36 -0.47 -0.55 8.37 7.68 1x9jG1 LEU 47 HA -0.07 -0.03 0.31 -0.75 4.35 3.80 1x9jG1 LEU 47 HB2 -0.04 0.09 0.14 -0.04 1.64 1.79 1x9jG1 LEU 47 HB3 -0.01 0.03 0.10 -0.04 1.64 1.72 1x9jG1 LEU 47 HG -0.04 0.00 -0.24 -0.04 1.64 1.31 1x9jG1 LEU 47 HD13 -0.09 -0.03 -0.01 -0.04 0.93 0.76 1x9jG1 LEU 47 HD23 -0.03 0.01 -0.02 -0.04 0.89 0.80 1x9jG1 GLU 48 H 0.05 0.25 -0.19 -0.55 8.60 8.16 1x9jG1 GLU 48 HA 0.01 0.04 0.39 -0.75 4.29 3.98 1x9jG1 GLU 48 HB2 0.11 0.07 0.05 -0.04 2.09 2.29 1x9jG1 GLU 48 HB3 0.08 0.03 -0.03 -0.04 1.99 2.03 1x9jG1 GLU 48 HG2 0.04 0.05 0.01 -0.04 2.34 2.40 1x9jG1 GLU 48 HG3 0.03 0.01 0.01 -0.04 2.34 2.35 1x9jG1 PHE 49 H 0.17 0.18 -0.32 -0.55 8.34 7.82 1x9jG1 PHE 49 HA -0.00 0.06 0.41 -0.75 4.62 4.33 1x9jG1 PHE 49 HB2 0.10 0.02 0.08 -0.04 3.15 3.31 1x9jG1 PHE 49 HB3 -0.30 0.12 0.18 -0.04 3.06 3.03 1x9jG1 PHE 49 HD2 -0.24 -0.01 -0.05 -0.04 7.28 6.94 1x9jG1 PHE 49 HE2 -0.52 -0.01 -0.10 -0.04 7.38 6.71 1x9jG1 PHE 49 HZ 0.04 -0.02 -0.09 -0.04 7.32 7.21 1x9jG1 ARG 50 H -0.10 0.64 -0.03 -0.55 8.46 8.41 1x9jG1 ARG 50 HA -0.44 0.04 0.38 -0.75 4.34 3.57 1x9jG1 ARG 50 HB2 -0.14 0.05 0.06 -0.04 1.90 1.83 1x9jG1 ARG 50 HB3 -0.15 -0.07 -0.05 -0.04 1.80 1.50 1x9jG1 ARG 50 HG2 -0.13 0.17 -0.07 -0.04 1.67 1.60 1x9jG1 ARG 50 HG3 -0.11 -0.06 -0.07 -0.04 1.67 1.40 1x9jG1 ARG 50 HD2 -0.08 -0.04 -0.07 -0.04 3.22 2.99 1x9jG1 ARG 50 HD3 -0.41 -0.01 -0.14 -0.04 3.22 2.62 1x9jG1 GLU 51 H -0.11 0.65 -0.05 -0.55 8.60 8.54 1x9jG1 GLU 51 HA -0.09 -0.03 0.34 -0.75 4.29 3.76 1x9jG1 GLU 51 HB2 -0.11 0.04 0.10 -0.04 2.09 2.08 1x9jG1 GLU 51 HB3 -0.03 0.09 0.08 -0.04 1.99 2.09 1x9jG1 GLU 51 HG2 0.16 -0.02 -0.14 -0.04 2.34 2.29 1x9jG1 GLU 51 HG3 -0.16 -0.04 0.03 -0.04 2.34 2.14 1x9jG1 LYS 52 H -0.07 0.52 -0.35 -0.55 8.42 7.96 1x9jG1 LYS 52 HA -0.00 -0.01 0.38 -0.75 4.32 3.94 1x9jG1 LYS 52 HB2 0.00 0.15 0.15 -0.04 1.87 2.13 1x9jG1 LYS 52 HB3 -0.10 0.15 0.12 -0.04 1.79 1.93 1x9jG1 LYS 52 HG2 -0.02 -0.04 -0.12 -0.04 1.46 1.24 1x9jG1 LYS 52 HG3 0.01 -0.03 0.04 -0.04 1.46 1.43 1x9jG1 LYS 52 HD2 0.06 0.01 -0.03 -0.04 1.69 1.69 1x9jG1 LYS 52 HD3 0.05 -0.02 -0.03 -0.04 1.68 1.64 1x9jG1 LYS 52 HE2 0.05 -0.02 -0.02 -0.04 2.99 2.96 1x9jG1 LYS 52 HE3 0.08 0.09 -0.04 -0.04 2.99 3.08 1x9jG1 ILE 53 H -0.26 0.40 -0.27 -0.55 8.25 7.56 1x9jG1 ILE 53 HA -0.25 0.02 0.41 -0.75 4.18 3.61 1x9jG1 ILE 53 HB -0.43 0.16 0.14 -0.04 1.89 1.71 1x9jG1 ILE 53 HG12 -0.34 -0.04 -0.00 -0.04 1.49 1.06 1x9jG1 ILE 53 HG13 -0.57 0.26 0.10 -0.04 1.21 0.96 1x9jG1 ILE 53 HG23 -1.08 -0.03 -0.11 -0.04 0.93 -0.33 1x9jG1 ILE 53 HD13 -0.54 -0.04 -0.08 -0.04 0.88 0.19 1x9jG1 ALA 54 H -0.12 0.46 -0.16 -0.55 8.40 8.03 1x9jG1 ALA 54 HA -0.03 -0.02 0.34 -0.75 4.34 3.88 1x9jG1 ALA 54 HB3 0.14 0.02 0.04 -0.04 1.41 1.57 1x9jG1 ARG 55 H 0.09 0.58 -0.11 -0.55 8.46 8.47 1x9jG1 ARG 55 HA -0.07 -0.02 0.34 -0.75 4.34 3.84 1x9jG1 ARG 55 HB2 0.01 0.14 0.14 -0.04 1.90 2.15 1x9jG1 ARG 55 HB3 -0.03 -0.02 -0.07 -0.04 1.80 1.65 1x9jG1 ARG 55 HG2 -0.31 -0.05 0.01 -0.04 1.67 1.27 1x9jG1 ARG 55 HG3 0.08 0.05 0.01 -0.04 1.67 1.78 1x9jG1 ARG 55 HD2 0.02 0.01 -0.03 -0.04 3.22 3.17 1x9jG1 ARG 55 HD3 -0.05 -0.00 -0.03 -0.04 3.22 3.11 1x9jG1 GLN 56 H 0.00 0.49 -0.18 -0.55 8.47 8.24 1x9jG1 GLN 56 HA 0.04 -0.02 0.32 -0.75 4.36 3.94 1x9jG1 GLN 56 HB2 -0.01 0.14 0.15 -0.04 2.15 2.39 1x9jG1 GLN 56 HB3 0.01 0.11 0.09 -0.04 2.02 2.19 1x9jG1 GLN 56 HG2 0.07 -0.03 -0.03 -0.04 2.40 2.37 1x9jG1 GLN 56 HG3 0.08 -0.01 -0.06 -0.04 2.39 2.36 1x9jG1 GLN 56 HE21 0.03 -0.01 -0.01 -0.04 6.97 6.94 1x9jG1 GLN 56 HE22 0.05 -0.00 -0.01 -0.04 7.69 7.69 1x9jG1 PHE 57 H 0.17 0.50 -0.35 -0.55 8.34 8.11 1x9jG1 PHE 57 HA 0.17 -0.03 0.24 -0.75 4.62 4.25 1x9jG1 PHE 57 HB2 0.05 0.03 0.08 -0.04 3.15 3.27 1x9jG1 PHE 57 HB3 0.07 0.17 0.16 -0.04 3.06 3.42 1x9jG1 PHE 57 HD2 0.29 0.02 -0.12 -0.04 7.28 7.42 1x9jG1 PHE 57 HE2 0.14 -0.03 -0.31 -0.04 7.38 7.14 1x9jG1 PHE 57 HZ 0.11 -0.09 -0.47 -0.04 7.32 6.83 1x9jG1 VAL 58 H 0.26 0.37 -0.08 -0.55 8.24 8.24 1x9jG1 VAL 58 HA 0.09 -0.02 0.19 -0.75 4.13 3.64 1x9jG1 VAL 58 HB 0.06 0.04 0.01 -0.04 2.12 2.19 1x9jG1 VAL 58 HG13 0.35 -0.00 -0.41 -0.04 0.97 0.86 1x9jG1 VAL 58 HG23 0.15 0.01 -0.07 -0.04 0.95 1.00 1x9jG1 GLU 59 H 0.05 0.84 -0.13 -0.55 8.60 8.81 1x9jG1 GLU 59 HA 0.04 0.06 0.34 -0.75 4.29 3.98 1x9jG1 GLU 59 HB2 0.03 0.10 0.09 -0.04 2.09 2.27 1x9jG1 GLU 59 HB3 0.02 -0.06 -0.05 -0.04 1.99 1.85 1x9jG1 GLU 59 HG2 0.01 -0.02 0.02 -0.04 2.34 2.31 1x9jG1 GLU 59 HG3 -0.01 0.01 -0.05 -0.04 2.34 2.25 1x9jG1 GLU 60 H 0.02 0.74 -0.12 -0.55 8.60 8.69 1x9jG1 GLU 60 HA -0.01 -0.01 0.43 -0.75 4.29 3.96 1x9jG1 GLU 60 HB2 0.02 0.22 0.13 -0.04 2.09 2.42 1x9jG1 GLU 60 HB3 -0.00 -0.07 0.23 -0.04 1.99 2.11 1x9jG1 GLU 60 HG2 0.04 -0.07 0.03 -0.04 2.34 2.30 1x9jG1 GLU 60 HG3 0.01 -0.03 0.05 -0.04 2.34 2.32 1x9jG1 THR 61 H -0.01 0.45 -0.62 -0.55 8.28 7.55 1x9jG1 THR 61 HA -0.09 0.14 0.85 -0.75 4.39 4.53 1x9jG1 THR 61 HB 0.01 -0.09 0.12 -0.04 4.32 4.32 1x9jG1 THR 61 HG23 -0.15 0.04 -0.25 -0.04 1.22 0.83 1x9jG1 GLY 62 H -0.05 0.46 0.22 -0.55 8.43 8.52 1x9jG1 GLY 62 HA2 -0.08 -0.02 0.44 -0.51 4.01 3.84 1x9jG1 GLY 62 HA3 -0.20 0.10 0.73 -0.51 4.01 4.13 1x9jG1 TYR 63 H -0.22 0.13 -0.64 -0.55 8.29 7.02 1x9jG1 TYR 63 HA -0.04 0.04 0.32 -0.75 4.56 4.13 1x9jG1 TYR 63 HB2 0.05 0.04 -0.13 -0.04 3.06 2.98 1x9jG1 TYR 63 HB3 -0.08 -0.06 0.02 -0.04 2.98 2.81 1x9jG1 TYR 63 HD2 -0.09 -0.00 -0.02 -0.04 7.15 7.00 1x9jG1 TYR 63 HE2 -0.09 -0.01 -0.02 -0.04 6.85 6.68 1x9jG1 SER 64 H 0.21 0.22 0.17 -0.55 8.46 8.51 1x9jG1 SER 64 HA 0.13 0.19 0.65 -0.75 4.49 4.70 1x9jG1 SER 64 HB2 0.07 -0.03 0.07 -0.04 3.95 4.02 1x9jG1 SER 64 HB3 0.07 0.21 -0.11 -0.04 3.93 4.05 1x9jG1 LEU 65 H 0.06 0.22 0.07 -0.55 8.37 8.17 1x9jG1 LEU 65 HA 0.19 0.05 0.26 -0.75 4.35 4.10 1x9jG1 LEU 65 HB2 -0.03 0.03 0.03 -0.04 1.64 1.63 1x9jG1 LEU 65 HB3 0.00 0.08 0.05 -0.04 1.64 1.72 1x9jG1 LEU 65 HG -0.23 -0.02 0.05 -0.04 1.64 1.40 1x9jG1 LEU 65 HD13 -0.63 0.00 -0.01 -0.04 0.93 0.25 1x9jG1 LEU 65 HD23 -0.58 -0.01 -0.04 -0.04 0.89 0.22 1x9jG1 SER 66 H 0.14 -0.06 -0.84 -0.55 8.46 7.16 1x9jG1 SER 66 HA 0.16 0.20 0.61 -0.75 4.49 4.71 1x9jG1 SER 66 HB2 0.07 -0.05 -0.01 -0.04 3.95 3.93 1x9jG1 SER 66 HB3 0.07 0.06 0.13 -0.04 3.93 4.15 1x9jG1 SER 67 H 0.21 0.90 -0.04 -0.55 8.46 8.98 1x9jG1 SER 67 HA -0.01 0.21 0.80 -0.75 4.49 4.74 1x9jG1 SER 67 HB2 -0.08 0.01 0.21 -0.04 3.95 4.05 1x9jG1 SER 67 HB3 0.04 -0.03 0.09 -0.04 3.93 3.99 1x9jG1 PHE 68 H 0.20 0.23 -0.43 -0.55 8.34 7.79 1x9jG1 PHE 68 HA -0.13 0.17 1.01 -0.75 4.62 4.92 1x9jG1 PHE 68 HB2 -0.42 0.11 -0.02 -0.04 3.15 2.78 1x9jG1 PHE 68 HB3 -0.46 -0.04 0.05 -0.04 3.06 2.58 1x9jG1 PHE 68 HD2 -0.09 0.01 -0.29 -0.04 7.28 6.86 1x9jG1 PHE 68 HE2 -0.00 -0.04 -0.33 -0.04 7.38 6.97 1x9jG1 PHE 68 HZ -0.01 -0.01 -0.18 -0.04 7.32 7.08 1x9jG1 SER 69 H 0.05 0.71 0.39 -0.55 8.46 9.06 1x9jG1 SER 69 HA 0.09 0.20 0.75 -0.75 4.49 4.77 1x9jG1 SER 69 HB2 0.19 -0.03 0.01 -0.04 3.95 4.08 1x9jG1 SER 69 HB3 0.30 0.02 0.10 -0.04 3.93 4.32 1x9jG1 ALA 70 H -0.07 0.20 0.13 -0.55 8.40 8.11 1x9jG1 ALA 70 HA 0.01 0.24 0.37 -0.75 4.34 4.21 1x9jG1 ALA 70 HB3 0.20 0.02 -0.11 -0.04 1.41 1.49 1x9jG1 PHE 71 H 0.23 0.72 0.35 -0.55 8.34 9.09 1x9jG1 PHE 71 HA 0.05 0.20 1.06 -0.75 4.62 5.17 1x9jG1 PHE 71 HB2 0.01 0.00 0.21 -0.04 3.15 3.33 1x9jG1 PHE 71 HB3 0.01 -0.06 0.07 -0.04 3.06 3.04 1x9jG1 PHE 71 HD2 0.04 0.09 -0.10 -0.04 7.28 7.27 1x9jG1 PHE 71 HE2 -0.14 -0.02 -0.12 -0.04 7.38 7.06 1x9jG1 PHE 71 HZ -0.02 0.26 0.02 -0.04 7.32 7.54 1x9jG1 VAL 72 H 0.12 0.74 0.39 -0.55 8.24 8.94 1x9jG1 VAL 72 HA 0.12 0.32 1.13 -0.75 4.13 4.95 1x9jG1 VAL 72 HB 0.02 -0.07 -0.09 -0.04 2.12 1.94 1x9jG1 VAL 72 HG13 0.02 0.01 -0.23 -0.04 0.97 0.73 1x9jG1 VAL 72 HG23 0.11 0.01 -0.34 -0.04 0.95 0.69 1x9jG1 SER 73 H 0.03 0.55 0.36 -0.55 8.46 8.85 1x9jG1 SER 73 HA -0.01 0.25 1.06 -0.75 4.49 5.03 1x9jG1 SER 73 HB2 -0.05 -0.07 0.15 -0.04 3.95 3.94 1x9jG1 SER 73 HB3 -0.04 0.02 -0.13 -0.04 3.93 3.74 1x9jG1 ARG 74 H -0.05 0.26 0.32 -0.55 8.46 8.44 1x9jG1 ARG 74 HA -0.07 0.08 0.62 -0.75 4.34 4.21 1x9jG1 ARG 74 HB2 -0.05 -0.01 0.21 -0.04 1.90 2.00 1x9jG1 ARG 74 HB3 -0.08 0.04 0.06 -0.04 1.80 1.78 1x9jG1 ARG 74 HG2 -0.13 0.06 0.13 -0.04 1.67 1.69 1x9jG1 ARG 74 HG3 -0.09 -0.02 0.09 -0.04 1.67 1.61 1x9jG1 ARG 74 HD2 -0.05 -0.03 0.02 -0.04 3.22 3.12 1x9jG1 ARG 74 HD3 -0.10 0.05 0.03 -0.04 3.22 3.15 1x9jG1 GLY 75 H -0.12 0.26 0.18 -0.55 8.43 8.20 1x9jG1 GLY 75 HA2 -0.15 0.04 0.52 -0.51 4.01 3.91 1x9jG1 GLY 75 HA3 -0.18 -0.00 0.36 -0.51 4.01 3.69 1x9jG1 GLY 76 H -0.18 0.08 0.12 -0.55 8.43 7.91 1x9jG1 GLY 76 HA2 -0.16 0.09 0.31 -0.51 4.01 3.75 1x9jG1 GLY 76 HA3 -0.14 0.01 0.23 -0.51 4.01 3.61 1x9jG1 LEU 77 H -0.12 0.12 -0.01 -0.55 8.37 7.82 1x9jG1 LEU 77 HA -0.15 0.16 0.49 -0.75 4.35 4.09 1x9jG1 LEU 77 HB2 -0.08 -0.01 0.04 -0.04 1.64 1.55 1x9jG1 LEU 77 HB3 -0.08 0.21 0.04 -0.04 1.64 1.76 1x9jG1 LEU 77 HG -0.13 -0.22 -0.12 -0.04 1.64 1.12 1x9jG1 LEU 77 HD13 -0.02 0.12 -0.36 -0.04 0.93 0.64 1x9jG1 LEU 77 HD23 -0.15 0.03 -0.13 -0.04 0.89 0.59 1x9jG1 LEU 78 H -0.19 0.27 -0.48 -0.55 8.37 7.43 1x9jG1 LEU 78 HA -0.12 0.01 0.30 -0.75 4.35 3.78 1x9jG1 LEU 78 HB2 -0.22 0.11 -0.10 -0.04 1.64 1.38 1x9jG1 LEU 78 HB3 -0.29 -0.07 0.09 -0.04 1.64 1.33 1x9jG1 LEU 78 HG -0.30 -0.10 -0.15 -0.04 1.64 1.06 1x9jG1 LEU 78 HD13 -0.70 -0.00 -0.05 -0.04 0.93 0.14 1x9jG1 LEU 78 HD23 -0.42 -0.01 -0.04 -0.04 0.89 0.38 1x9jG1 ASP 79 H 0.20 -0.01 0.07 -0.55 8.40 8.11 1x9jG1 ASP 79 HA -0.04 0.20 0.58 -0.75 4.63 4.61 1x9jG1 ASP 79 HB2 0.07 -0.10 0.04 -0.04 2.71 2.68 1x9jG1 ASP 79 HB3 -0.01 0.14 0.05 -0.04 2.70 2.85 1x9jG1 PRO 80 HA -0.48 0.16 0.37 -0.51 4.44 3.98 1x9jG1 PRO 80 HB2 -0.81 -0.02 0.07 -0.04 2.28 1.47 1x9jG1 PRO 80 HB3 -1.39 0.05 0.05 -0.04 2.02 0.69 1x9jG1 PRO 80 HG2 -0.15 0.04 0.07 -0.04 2.03 1.94 1x9jG1 PRO 80 HG3 -0.27 0.07 0.09 -0.04 2.03 1.88 1x9jG1 PRO 80 HD2 -0.07 0.06 0.17 -0.04 3.68 3.81 1x9jG1 PRO 80 HD3 -0.10 0.14 0.21 -0.04 3.65 3.86 1x9jG1 ILE 81 H -0.49 0.30 0.20 -0.55 8.25 7.71 1x9jG1 ILE 81 HA -0.27 0.14 0.60 -0.75 4.18 3.89 1x9jG1 ILE 81 HB 0.03 -0.04 -0.04 -0.04 1.89 1.80 1x9jG1 ILE 81 HG12 -0.21 0.06 -0.15 -0.04 1.49 1.16 1x9jG1 ILE 81 HG13 -0.21 0.17 -0.21 -0.04 1.21 0.92 1x9jG1 ILE 81 HG23 -0.03 0.04 -0.30 -0.04 0.93 0.60 1x9jG1 ILE 81 HD13 -0.64 -0.07 -0.14 -0.04 0.88 -0.01 1x9jG1 PRO 82 HA 0.07 0.15 0.46 -0.51 4.44 4.62 1x9jG1 PRO 82 HB2 0.17 0.09 0.03 -0.04 2.28 2.53 1x9jG1 PRO 82 HB3 0.15 0.03 0.16 -0.04 2.02 2.32 1x9jG1 PRO 82 HG2 0.21 0.02 0.04 -0.04 2.03 2.26 1x9jG1 PRO 82 HG3 0.37 0.09 0.04 -0.04 2.03 2.50 1x9jG1 PRO 82 HD2 0.27 0.02 0.05 -0.04 3.68 3.98 1x9jG1 PRO 82 HD3 0.19 0.19 0.12 -0.04 3.65 4.11 1x9jG1 GLY 83 H 0.09 0.14 0.14 -0.55 8.43 8.26 1x9jG1 GLY 83 HA2 0.10 0.12 0.76 -0.51 4.01 4.48 1x9jG1 GLY 83 HA3 0.07 0.02 0.32 -0.51 4.01 3.90 1x9jG1 GLY 84 H 0.09 0.04 0.21 -0.55 8.43 8.23 1x9jG1 GLY 84 HA2 -0.00 0.06 0.27 -0.51 4.01 3.83 1x9jG1 GLY 84 HA3 -0.05 0.29 0.84 -0.51 4.01 4.58 1x9jG1 VAL 85 H -0.10 0.29 0.09 -0.55 8.24 7.97 1x9jG1 VAL 85 HA 0.08 0.23 1.00 -0.75 4.13 4.69 1x9jG1 VAL 85 HB -0.14 0.04 0.05 -0.04 2.12 2.03 1x9jG1 VAL 85 HG13 -0.17 0.01 -0.19 -0.04 0.97 0.58 1x9jG1 VAL 85 HG23 -0.10 0.02 -0.16 -0.04 0.95 0.66 1x9jG1 TYR 86 H 0.36 0.51 0.30 -0.55 8.29 8.92 1x9jG1 TYR 86 HA 0.09 0.14 1.11 -0.75 4.56 5.15 1x9jG1 TYR 86 HB2 0.02 -0.04 0.02 -0.04 3.06 3.03 1x9jG1 TYR 86 HB3 0.09 -0.06 0.05 -0.04 2.98 3.02 1x9jG1 TYR 86 HD2 0.09 -0.05 -0.30 -0.04 7.15 6.85 1x9jG1 TYR 86 HE2 0.04 -0.00 -0.40 -0.04 6.85 6.45 1x9jG1 LEU 87 H 0.19 0.41 0.36 -0.55 8.37 8.78 1x9jG1 LEU 87 HA 0.01 0.26 0.83 -0.75 4.35 4.69 1x9jG1 LEU 87 HB2 0.09 -0.05 0.20 -0.04 1.64 1.84 1x9jG1 LEU 87 HB3 0.01 0.01 -0.05 -0.04 1.64 1.57 1x9jG1 LEU 87 HG 0.22 -0.01 -0.02 -0.04 1.64 1.80 1x9jG1 LEU 87 HD13 0.06 0.01 -0.01 -0.04 0.93 0.94 1x9jG1 LEU 87 HD23 -0.36 0.06 0.04 -0.04 0.89 0.59 1x9jG1 VAL 88 H -0.06 0.73 0.30 -0.55 8.24 8.66 1x9jG1 VAL 88 HA -0.06 -0.08 0.43 -0.75 4.13 3.66 1x9jG1 VAL 88 HB -0.03 0.04 0.17 -0.04 2.12 2.27 1x9jG1 VAL 88 HG13 -0.15 0.01 -0.15 -0.04 0.97 0.64 1x9jG1 VAL 88 HG23 -0.04 0.08 -0.22 -0.04 0.95 0.73 1x9jG1 ASP 89 H -0.02 0.07 0.33 -0.55 8.40 8.23 1x9jG1 ASP 89 HA -0.05 0.33 0.90 -0.75 4.63 5.06 1x9jG1 ASP 89 HB2 0.02 -0.02 0.16 -0.04 2.71 2.83 1x9jG1 ASP 89 HB3 0.04 0.14 0.04 -0.04 2.70 2.88 1x9jG1 GLY 90 H -0.04 0.25 0.15 -0.55 8.43 8.25 1x9jG1 GLY 90 HA2 -0.12 0.13 0.32 -0.51 4.01 3.83 1x9jG1 GLY 90 HA3 -0.03 0.13 0.34 -0.51 4.01 3.94 1x9jG1 LEU 91 H 0.02 0.11 -0.13 -0.55 8.37 7.83 1x9jG1 LEU 91 HA 0.03 0.12 0.35 -0.75 4.35 4.10 1x9jG1 LEU 91 HB2 0.05 0.06 0.10 -0.04 1.64 1.81 1x9jG1 LEU 91 HB3 0.15 -0.11 0.04 -0.04 1.64 1.68 1x9jG1 LEU 91 HG 0.24 -0.02 -0.22 -0.04 1.64 1.61 1x9jG1 LEU 91 HD13 0.04 0.02 0.04 -0.04 0.93 0.99 1x9jG1 LEU 91 HD23 -0.05 0.00 -0.01 -0.04 0.89 0.79 1x9jG1 MET 92 H 0.03 0.23 -0.26 -0.55 8.47 7.93 1x9jG1 MET 92 HA -0.17 0.07 0.53 -0.75 4.52 4.20 1x9jG1 MET 92 HB2 -0.44 -0.05 0.10 -0.04 2.15 1.73 1x9jG1 MET 92 HB3 -0.15 0.17 0.18 -0.04 2.03 2.19 1x9jG1 MET 92 HG2 -0.23 0.04 -0.30 -0.04 2.63 2.10 1x9jG1 MET 92 HG3 -0.44 -0.05 0.02 -0.04 2.56 2.05 1x9jG1 MET 92 HE3 -0.46 0.01 -0.05 -0.04 2.10 1.57 1x9jG1 ILE 93 H -0.12 0.49 -0.23 -0.55 8.25 7.84 1x9jG1 ILE 93 HA -0.13 0.02 0.52 -0.75 4.18 3.85 1x9jG1 ILE 93 HB -0.19 0.08 -0.01 -0.04 1.89 1.73 1x9jG1 ILE 93 HG12 -0.22 -0.07 -0.26 -0.04 1.49 0.90 1x9jG1 ILE 93 HG13 -0.23 0.19 -0.12 -0.04 1.21 1.01 1x9jG1 ILE 93 HG23 -0.12 -0.00 0.01 -0.04 0.93 0.78 1x9jG1 ILE 93 HD13 -0.75 0.01 -0.25 -0.04 0.88 -0.15 1x9jG1 LYS 94 H -0.05 0.27 -0.31 -0.55 8.42 7.78 1x9jG1 LYS 94 HA -0.03 0.12 0.66 -0.75 4.32 4.32 1x9jG1 LYS 94 HB2 -0.02 0.03 0.01 -0.04 1.87 1.85 1x9jG1 LYS 94 HB3 -0.00 0.09 0.13 -0.04 1.79 1.96 1x9jG1 LYS 94 HG2 -0.00 -0.00 -0.12 -0.04 1.46 1.29 1x9jG1 LYS 94 HG3 -0.01 0.01 0.03 -0.04 1.46 1.45 1x9jG1 LYS 94 HD2 -0.00 -0.02 -0.05 -0.04 1.69 1.58 1x9jG1 LYS 94 HD3 0.01 -0.02 -0.03 -0.04 1.68 1.59 1x9jG1 LYS 94 HE2 0.00 0.01 -0.04 -0.04 2.99 2.93 1x9jG1 LYS 94 HE3 -0.00 0.01 -0.02 -0.04 2.99 2.94 1x9jG1 THR 95 H -0.03 0.34 -0.13 -0.55 8.28 7.91 1x9jG1 THR 95 HA -0.01 0.10 0.49 -0.75 4.39 4.21 1x9jG1 THR 95 HB -0.06 0.02 0.15 -0.04 4.32 4.40 1x9jG1 THR 95 HG23 0.00 -0.01 -0.08 -0.04 1.22 1.09 1x9jG1 LEU 96 H -0.09 0.51 -0.02 -0.55 8.37 8.22 1x9jG1 LEU 96 HA -0.08 0.05 0.38 -0.75 4.35 3.95 1x9jG1 LEU 96 HB2 -0.10 0.03 0.09 -0.04 1.64 1.62 1x9jG1 LEU 96 HB3 -0.09 0.01 0.01 -0.04 1.64 1.53 1x9jG1 LEU 96 HG -0.18 0.18 0.09 -0.04 1.64 1.70 1x9jG1 LEU 96 HD13 -0.15 0.03 0.01 -0.04 0.93 0.77 1x9jG1 LEU 96 HD23 -0.14 -0.03 -0.08 -0.04 0.89 0.60 1x9jG1 LYS 97 H -0.05 0.20 -0.47 -0.55 8.42 7.54 1x9jG1 LYS 97 HA -0.04 0.01 0.40 -0.75 4.32 3.94 1x9jG1 LYS 97 HB2 -0.03 0.09 0.08 -0.04 1.87 1.97 1x9jG1 LYS 97 HB3 -0.03 -0.01 -0.03 -0.04 1.79 1.68 1x9jG1 LYS 97 HG2 -0.04 -0.09 0.02 -0.04 1.46 1.31 1x9jG1 LYS 97 HG3 -0.05 0.10 0.09 -0.04 1.46 1.57 1x9jG1 LYS 97 HD2 -0.03 0.07 0.06 -0.04 1.69 1.75 1x9jG1 LYS 97 HD3 -0.02 -0.04 0.01 -0.04 1.68 1.59 1x9jG1 LYS 97 HE2 -0.02 -0.06 0.00 -0.04 2.99 2.87 1x9jG1 LYS 97 HE3 -0.03 -0.01 0.02 -0.04 2.99 2.94 1x9jG1 SER 98 H -0.03 0.30 -0.30 -0.55 8.46 7.89 1x9jG1 SER 98 HA -0.02 0.05 0.39 -0.75 4.49 4.16 1x9jG1 SER 98 HB2 -0.01 -0.02 0.06 -0.04 3.95 3.94 1x9jG1 SER 98 HB3 -0.01 0.07 0.14 -0.04 3.93 4.09 1x9jG1 GLY 99 H -0.03 0.27 -0.41 -0.55 8.43 7.71 1x9jG1 GLY 99 HA2 -0.03 0.10 0.24 -0.51 4.01 3.81 1x9jG1 GLY 99 HA3 -0.03 0.02 0.30 -0.51 4.01 3.79 1x9jG1 LYS 100 H -0.02 0.13 -0.23 -0.55 8.42 7.74 1x9jG1 LYS 100 HA -0.02 0.10 0.29 -0.75 4.32 3.94 1x9jG1 LYS 100 HB2 -0.01 0.03 0.01 -0.04 1.87 1.86 1x9jG1 LYS 100 HB3 -0.01 -0.01 0.06 -0.04 1.79 1.79 1x9jG1 LYS 100 HG2 -0.02 0.04 0.09 -0.04 1.46 1.53 1x9jG1 LYS 100 HG3 -0.02 0.06 -0.07 -0.04 1.46 1.39 1x9jG1 LYS 100 HD2 0.00 -0.01 0.00 -0.04 1.69 1.65 1x9jG1 LYS 100 HD3 0.01 -0.06 -0.02 -0.04 1.68 1.57 1x9jG1 LYS 100 HE2 0.00 0.04 -0.10 -0.04 2.99 2.89 1x9jG1 LYS 100 HE3 0.00 0.02 -0.05 -0.04 2.99 2.92 1x9jG1 ASN 101 H -0.03 0.08 -0.26 -0.55 8.53 7.78 1x9jG1 ASN 101 HA -0.02 0.18 0.74 -0.75 4.76 4.91 1x9jG1 ASN 101 HB2 -0.05 0.24 0.08 -0.04 2.88 3.11 1x9jG1 ASN 101 HB3 -0.04 -0.03 0.13 -0.04 2.79 2.80 1x9jG1 ASN 101 HD21 -0.01 -0.14 -0.18 -0.04 7.03 6.66 1x9jG1 ASN 101 HD22 -0.04 0.35 -0.10 -0.04 7.74 7.90 1x9jG1 GLY 102 H -0.02 0.53 -0.54 -0.55 8.43 7.86 1x9jG1 GLY 102 HA2 -0.02 0.03 0.33 -0.51 4.01 3.84 1x9jG1 GLY 102 HA3 -0.02 0.17 0.80 -0.51 4.01 4.45 1x9jG1 GLU 103 H -0.01 0.21 0.18 -0.55 8.60 8.44 1x9jG1 GLU 103 HA -0.01 0.14 0.94 -0.75 4.29 4.61 1x9jG1 GLU 103 HB2 -0.02 0.07 0.18 -0.04 2.09 2.28 1x9jG1 GLU 103 HB3 -0.02 -0.16 0.06 -0.04 1.99 1.83 1x9jG1 GLU 103 HG2 -0.02 0.07 -0.02 -0.04 2.34 2.32 1x9jG1 GLU 103 HG3 -0.02 0.09 -0.04 -0.04 2.34 2.33 1x9jG1 HIS 104 H 0.04 0.23 0.15 -0.55 8.41 8.29 1x9jG1 HIS 104 HA -0.04 0.17 0.62 -0.75 4.63 4.63 1x9jG1 HIS 104 HB2 -0.06 0.25 -0.33 -0.04 3.26 3.09 1x9jG1 HIS 104 HB3 -0.07 -0.10 -0.03 -0.04 3.20 2.96 1x9jG1 HIS 104 HD2 -0.05 0.16 0.01 -0.04 6.97 7.05 1x9jG1 HIS 104 HE1 -0.05 0.01 -0.00 -0.04 7.75 7.67 1x9jG1 ALA 105 H -0.32 0.27 0.08 -0.55 8.40 7.88 1x9jG1 ALA 105 HA -0.06 0.06 0.28 -0.75 4.34 3.87 1x9jG1 ALA 105 HB3 -0.09 0.02 -0.22 -0.04 1.41 1.08 1x9jG1 SER 106 H 0.69 0.01 -0.69 -0.55 8.46 7.92 1x9jG1 SER 106 HA 0.03 0.18 0.39 -0.75 4.49 4.34 1x9jG1 SER 106 HB2 -0.01 0.00 0.02 -0.04 3.95 3.93 1x9jG1 SER 106 HB3 -0.10 -0.02 -0.04 -0.04 3.93 3.73 1x9jG1 ASN 107 H 0.03 0.76 -0.08 -0.55 8.53 8.69 1x9jG1 ASN 107 HA -0.08 -0.07 0.45 -0.75 4.76 4.30 1x9jG1 ASN 107 HB2 -0.03 0.05 0.06 -0.04 2.88 2.91 1x9jG1 ASN 107 HB3 -0.06 0.05 0.07 -0.04 2.79 2.81 1x9jG1 ASN 107 HD21 0.00 0.19 0.05 -0.04 7.03 7.24 1x9jG1 ASN 107 HD22 0.00 -0.25 0.24 -0.04 7.74 7.69 1x9jG1 LEU 108 H -0.04 0.35 -0.36 -0.55 8.37 7.78 1x9jG1 LEU 108 HA -0.08 0.05 0.38 -0.75 4.35 3.95 1x9jG1 LEU 108 HB2 -0.07 0.15 0.06 -0.04 1.64 1.73 1x9jG1 LEU 108 HB3 -0.09 -0.03 -0.00 -0.04 1.64 1.47 1x9jG1 LEU 108 HG -0.06 -0.04 -0.05 -0.04 1.64 1.45 1x9jG1 LEU 108 HD13 -0.09 0.03 -0.10 -0.04 0.93 0.73 1x9jG1 LEU 108 HD23 -0.06 -0.01 -0.10 -0.04 0.89 0.67 1x9jG1 GLY 109 H -0.07 0.32 -0.25 -0.55 8.43 7.88 1x9jG1 GLY 109 HA2 -0.10 -0.00 0.31 -0.51 4.01 3.71 1x9jG1 GLY 109 HA3 -0.08 0.15 0.36 -0.51 4.01 3.93 1x9jG1 ALA 110 H -0.10 0.24 -0.09 -0.55 8.40 7.90 1x9jG1 ALA 110 HA -0.08 0.08 0.32 -0.75 4.34 3.90 1x9jG1 ALA 110 HB3 -0.12 0.01 0.01 -0.04 1.41 1.26 1x9jG1 ILE 111 H -0.10 0.27 -0.32 -0.55 8.25 7.54 1x9jG1 ILE 111 HA -0.06 0.03 0.40 -0.75 4.18 3.79 1x9jG1 ILE 111 HB -0.09 0.12 0.14 -0.04 1.89 2.01 1x9jG1 ILE 111 HG12 -0.08 -0.02 0.02 -0.04 1.49 1.37 1x9jG1 ILE 111 HG13 -0.09 0.05 0.04 -0.04 1.21 1.17 1x9jG1 ILE 111 HG23 -0.05 -0.00 -0.09 -0.04 0.93 0.74 1x9jG1 ILE 111 HD13 -0.06 -0.02 -0.10 -0.04 0.88 0.65 1x9jG1 ILE 112 H -0.17 0.59 -0.04 -0.55 8.25 8.08 1x9jG1 ILE 112 HA -0.37 0.02 0.42 -0.75 4.18 3.50 1x9jG1 ILE 112 HB -0.28 0.12 0.09 -0.04 1.89 1.77 1x9jG1 ILE 112 HG12 -0.22 -0.01 0.01 -0.04 1.49 1.23 1x9jG1 ILE 112 HG13 -0.17 0.14 0.03 -0.04 1.21 1.17 1x9jG1 ILE 112 HG23 -0.72 -0.01 -0.14 -0.04 0.93 0.01 1x9jG1 ILE 112 HD13 -0.16 -0.02 -0.15 -0.04 0.88 0.50 1x9jG1 ALA 113 H -0.22 0.52 -0.12 -0.55 8.40 8.03 1x9jG1 ALA 113 HA -0.35 0.02 0.34 -0.75 4.34 3.60 1x9jG1 ALA 113 HB3 -0.03 0.02 -0.04 -0.04 1.41 1.32 1x9jG1 HIS 114 H -0.07 0.42 -0.36 -0.55 8.41 7.84 1x9jG1 HIS 114 HA -0.12 0.04 0.43 -0.75 4.63 4.23 1x9jG1 HIS 114 HB2 -0.11 -0.00 0.08 -0.04 3.26 3.19 1x9jG1 HIS 114 HB3 -0.13 0.15 0.18 -0.04 3.20 3.36 1x9jG1 HIS 114 HD2 -0.07 0.01 -0.08 -0.04 6.97 6.79 1x9jG1 HIS 114 HE1 -0.03 -0.01 -0.01 -0.04 7.75 7.65 1x9jG1 ARG 115 H -0.21 0.46 -0.09 -0.55 8.46 8.07 1x9jG1 ARG 115 HA -0.28 0.03 0.39 -0.75 4.34 3.72 1x9jG1 ARG 115 HB2 -0.24 0.07 0.16 -0.04 1.90 1.85 1x9jG1 ARG 115 HB3 -0.06 -0.01 -0.03 -0.04 1.80 1.66 1x9jG1 ARG 115 HG2 -0.08 -0.03 0.01 -0.04 1.67 1.53 1x9jG1 ARG 115 HG3 -0.10 0.21 0.10 -0.04 1.67 1.84 1x9jG1 ARG 115 HD2 -0.11 -0.03 -0.04 -0.04 3.22 3.00 1x9jG1 ARG 115 HD3 -0.04 0.00 -0.03 -0.04 3.22 3.11 1x9jG1 PHE 116 H -0.37 0.45 -0.09 -0.55 8.34 7.78 1x9jG1 PHE 116 HA -0.33 -0.00 0.31 -0.75 4.62 3.84 1x9jG1 PHE 116 HB2 -1.24 0.12 0.06 -0.04 3.15 2.05 1x9jG1 PHE 116 HB3 -1.46 0.00 -0.01 -0.04 3.06 1.55 1x9jG1 PHE 116 HD2 -0.27 -0.03 -0.08 -0.04 7.28 6.86 1x9jG1 PHE 116 HE2 -0.09 -0.03 -0.10 -0.04 7.38 7.13 1x9jG1 PHE 116 HZ -0.09 -0.01 -0.04 -0.04 7.32 7.15 1x9jG1 SER 117 H -0.32 0.32 -0.59 -0.55 8.46 7.33 1x9jG1 SER 117 HA 0.04 0.05 0.51 -0.75 4.49 4.33 1x9jG1 SER 117 HB2 -0.02 0.00 0.10 -0.04 3.95 4.00 1x9jG1 SER 117 HB3 -0.14 0.21 0.29 -0.04 3.93 4.25 1x9jG1 SER 118 H -0.27 0.61 0.09 -0.55 8.46 8.34 1x9jG1 SER 118 HA -0.08 0.02 0.48 -0.75 4.49 4.16 1x9jG1 SER 118 HB2 -0.13 -0.06 0.18 -0.04 3.95 3.91 1x9jG1 SER 118 HB3 -0.34 -0.05 0.12 -0.04 3.93 3.61 1x9jG1 GLU 119 H -0.06 0.18 -0.94 -0.55 8.60 7.23 1x9jG1 GLU 119 HA -0.02 0.14 0.89 -0.75 4.29 4.55 1x9jG1 GLU 119 HB2 -0.04 0.11 0.04 -0.04 2.09 2.16 1x9jG1 GLU 119 HB3 -0.03 -0.08 0.01 -0.04 1.99 1.85 1x9jG1 GLU 119 HG2 -0.02 -0.03 -0.06 -0.04 2.34 2.19 1x9jG1 GLU 119 HG3 -0.04 0.15 -0.26 -0.04 2.34 2.15 1x9jG1 THR 120 H 0.02 0.19 0.13 -0.55 8.28 8.08 1x9jG1 THR 120 HA 0.06 0.17 0.94 -0.75 4.39 4.80 1x9jG1 THR 120 HB 0.16 0.01 0.08 -0.04 4.32 4.54 1x9jG1 THR 120 HG23 0.11 0.02 -0.36 -0.04 1.22 0.95 1x9jG1 GLY 121 H 0.04 0.52 0.30 -0.55 8.43 8.74 1x9jG1 GLY 121 HA2 0.04 -0.03 0.33 -0.51 4.01 3.83 1x9jG1 GLY 121 HA3 0.05 0.05 0.52 -0.51 4.01 4.12 1x9jG1 VAL 122 H 0.16 0.09 0.03 -0.55 8.24 7.98 1x9jG1 VAL 122 HA 0.12 0.24 0.85 -0.75 4.13 4.59 1x9jG1 VAL 122 HB 0.56 -0.11 -0.04 -0.04 2.12 2.49 1x9jG1 VAL 122 HG13 0.05 0.04 -0.44 -0.04 0.97 0.57 1x9jG1 VAL 122 HG23 0.15 0.04 -0.14 -0.04 0.95 0.97 1x9jG1 PRO 123 HA -0.09 -0.02 0.44 -0.51 4.44 4.26 1x9jG1 PRO 123 HB2 0.08 -0.01 0.08 -0.04 2.28 2.39 1x9jG1 PRO 123 HB3 -0.31 -0.04 0.07 -0.04 2.02 1.70 1x9jG1 PRO 123 HG2 0.14 0.07 0.13 -0.04 2.03 2.33 1x9jG1 PRO 123 HG3 0.05 0.01 0.10 -0.04 2.03 2.14 1x9jG1 PRO 123 HD2 0.11 0.40 0.28 -0.04 3.68 4.43 1x9jG1 PRO 123 HD3 0.09 0.23 0.30 -0.04 3.65 4.22 1x9jG1 ALA 124 H -0.27 0.15 0.23 -0.55 8.40 7.97 1x9jG1 ALA 124 HA 0.07 0.28 1.06 -0.75 4.34 5.00 1x9jG1 ALA 124 HB3 0.01 0.01 0.01 -0.04 1.41 1.39 1x9jG1 TYR 125 H 0.14 0.76 0.42 -0.55 8.29 9.05 1x9jG1 TYR 125 HA 0.04 0.25 1.24 -0.75 4.56 5.33 1x9jG1 TYR 125 HB2 0.01 -0.05 -0.03 -0.04 3.06 2.95 1x9jG1 TYR 125 HB3 0.02 -0.02 0.07 -0.04 2.98 3.01 1x9jG1 TYR 125 HD2 0.02 0.03 -0.29 -0.04 7.15 6.87 1x9jG1 TYR 125 HE2 0.01 0.04 -0.11 -0.04 6.85 6.75 1x9jG1 VAL 126 H 0.19 0.52 0.35 -0.55 8.24 8.75 1x9jG1 VAL 126 HA 0.02 0.33 0.82 -0.75 4.13 4.55 1x9jG1 VAL 126 HB -0.08 -0.05 -0.10 -0.04 2.12 1.86 1x9jG1 VAL 126 HG13 -0.06 -0.01 -0.25 -0.04 0.97 0.60 1x9jG1 VAL 126 HG23 -0.02 0.01 -0.06 -0.04 0.95 0.84 1x9jG1 VAL 127 H -0.02 0.30 0.21 -0.55 8.24 8.18 1x9jG1 VAL 127 HA 0.04 0.32 1.17 -0.75 4.13 4.91 1x9jG1 VAL 127 HB -0.05 -0.06 -0.02 -0.04 2.12 1.95 1x9jG1 VAL 127 HG13 -0.04 0.03 -0.12 -0.04 0.97 0.80 1x9jG1 VAL 127 HG23 -0.03 0.02 -0.16 -0.04 0.95 0.74 1x9jG1 ASP 128 H 0.03 0.41 0.23 -0.55 8.40 8.52 1x9jG1 ASP 128 HA -0.02 0.10 0.42 -0.75 4.63 4.37 1x9jG1 ASP 128 HB2 -0.09 -0.06 -0.10 -0.04 2.71 2.41 1x9jG1 ASP 128 HB3 -0.10 0.03 0.02 -0.04 2.70 2.61 1x9jG1 PRO 129 HA -0.19 -0.03 0.53 -0.51 4.44 4.24 1x9jG1 PRO 129 HB2 -0.23 0.05 -0.07 -0.04 2.28 1.99 1x9jG1 PRO 129 HB3 -0.23 0.06 0.01 -0.04 2.02 1.82 1x9jG1 PRO 129 HG2 -0.37 0.09 -0.07 -0.04 2.03 1.64 1x9jG1 PRO 129 HG3 -0.22 -0.06 -0.06 -0.04 2.03 1.65 1x9jG1 PRO 129 HD2 -0.17 0.24 0.05 -0.04 3.68 3.76 1x9jG1 PRO 129 HD3 -0.09 0.11 -0.20 -0.04 3.65 3.42 1x9jG1 VAL 130 H -0.24 0.42 0.21 -0.55 8.24 8.08 1x9jG1 VAL 130 HA -0.39 0.02 0.57 -0.75 4.13 3.58 1x9jG1 VAL 130 HB -0.30 -0.03 0.18 -0.04 2.12 1.93 1x9jG1 VAL 130 HG13 -0.25 0.06 -0.25 -0.04 0.97 0.49 1x9jG1 VAL 130 HG23 -0.35 0.02 0.02 -0.04 0.95 0.60 1x9jG1 VAL 131 H -0.21 -0.08 -0.73 -0.55 8.24 6.68 1x9jG1 VAL 131 HA -0.12 0.34 0.94 -0.75 4.13 4.55 1x9jG1 VAL 131 HB -0.17 0.04 -0.05 -0.04 2.12 1.91 1x9jG1 VAL 131 HG13 -0.15 0.05 -0.15 -0.04 0.97 0.67 1x9jG1 VAL 131 HG23 -0.19 -0.04 -0.41 -0.04 0.95 0.27 1x9jG1 VAL 132 H -0.18 0.42 -0.25 -0.55 8.24 7.68 1x9jG1 VAL 132 HA -0.15 0.23 0.38 -0.75 4.13 3.84 1x9jG1 VAL 132 HB -0.08 -0.07 -0.03 -0.04 2.12 1.89 1x9jG1 VAL 132 HG13 0.04 -0.02 -0.31 -0.04 0.97 0.63 1x9jG1 VAL 132 HG23 -0.09 0.06 -0.07 -0.04 0.95 0.80 1x9jG1 ASP 133 H -0.18 0.43 0.21 -0.55 8.40 8.31 1x9jG1 ASP 133 HA -0.01 0.09 0.95 -0.75 4.63 4.91 1x9jG1 ASP 133 HB2 -0.39 0.13 -0.03 -0.04 2.71 2.38 1x9jG1 ASP 133 HB3 -0.44 -0.01 0.06 -0.04 2.70 2.27 1x9jG1 GLU 134 H 0.02 0.16 0.08 -0.55 8.60 8.31 1x9jG1 GLU 134 HA 0.11 0.21 0.72 -0.75 4.29 4.57 1x9jG1 GLU 134 HB2 0.01 -0.04 -0.10 -0.04 2.09 1.92 1x9jG1 GLU 134 HB3 0.01 -0.02 -0.05 -0.04 1.99 1.89 1x9jG1 GLU 134 HG2 0.06 0.07 0.00 -0.04 2.34 2.44 1x9jG1 GLU 134 HG3 0.07 0.01 -0.39 -0.04 2.34 1.98 1x9jG1 MET 135 H 0.03 -0.08 -0.00 -0.55 8.47 7.87 1x9jG1 MET 135 HA -0.01 0.03 0.34 -0.75 4.52 4.11 1x9jG1 MET 135 HB2 0.04 -0.03 -0.10 -0.04 2.15 2.02 1x9jG1 MET 135 HB3 0.01 0.13 0.01 -0.04 2.03 2.13 1x9jG1 MET 135 HG2 -0.06 -0.04 -0.23 -0.04 2.63 2.26 1x9jG1 MET 135 HG3 -0.04 -0.18 0.00 -0.04 2.56 2.31 1x9jG1 MET 135 HE3 -0.00 0.06 0.02 -0.04 2.10 2.14 1x9jG1 GLU 136 H 0.01 0.47 0.33 -0.55 8.60 8.87 1x9jG1 GLU 136 HA 0.00 0.14 0.67 -0.75 4.29 4.35 1x9jG1 GLU 136 HB2 0.01 0.08 0.22 -0.04 2.09 2.35 1x9jG1 GLU 136 HB3 0.02 -0.13 0.08 -0.04 1.99 1.92 1x9jG1 GLU 136 HG2 -0.00 0.04 0.07 -0.04 2.34 2.40 1x9jG1 GLU 136 HG3 0.00 0.03 0.08 -0.04 2.34 2.40 1x9jG1 ASP 137 H 0.01 0.19 0.16 -0.55 8.40 8.21 1x9jG1 ASP 137 HA 0.14 0.11 0.32 -0.75 4.63 4.44 1x9jG1 ASP 137 HB2 0.06 0.07 0.16 -0.04 2.71 2.95 1x9jG1 ASP 137 HB3 0.15 -0.05 0.14 -0.04 2.70 2.89 1x9jG1 VAL 138 H 0.07 0.09 -0.15 -0.55 8.24 7.70 1x9jG1 VAL 138 HA 0.07 0.04 0.37 -0.75 4.13 3.85 1x9jG1 VAL 138 HB 0.05 -0.01 0.10 -0.04 2.12 2.22 1x9jG1 VAL 138 HG13 0.03 0.01 -0.07 -0.04 0.97 0.89 1x9jG1 VAL 138 HG23 0.03 0.02 -0.02 -0.04 0.95 0.93 1x9jG1 ALA 139 H 0.05 0.38 -0.39 -0.55 8.40 7.89 1x9jG1 ALA 139 HA 0.04 0.08 0.52 -0.75 4.34 4.23 1x9jG1 ALA 139 HB3 0.02 0.00 0.16 -0.04 1.41 1.55 1x9jG1 ARG 140 H 0.08 0.63 -0.23 -0.55 8.46 8.38 1x9jG1 ARG 140 HA 0.06 0.12 0.62 -0.75 4.34 4.39 1x9jG1 ARG 140 HB2 0.14 0.07 0.10 -0.04 1.90 2.17 1x9jG1 ARG 140 HB3 0.10 -0.07 0.04 -0.04 1.80 1.82 1x9jG1 ARG 140 HG2 0.05 0.00 -0.12 -0.04 1.67 1.56 1x9jG1 ARG 140 HG3 0.09 0.08 -0.03 -0.04 1.67 1.76 1x9jG1 ARG 140 HD2 0.17 -0.02 -0.03 -0.04 3.22 3.30 1x9jG1 ARG 140 HD3 -0.10 -0.02 -0.05 -0.04 3.22 3.00 1x9jG1 VAL 141 H 0.08 0.21 -0.08 -0.55 8.24 7.91 1x9jG1 VAL 141 HA 0.09 0.01 0.43 -0.75 4.13 3.92 1x9jG1 VAL 141 HB 0.06 0.11 0.08 -0.04 2.12 2.33 1x9jG1 VAL 141 HG13 0.06 -0.03 -0.09 -0.04 0.97 0.86 1x9jG1 VAL 141 HG23 0.08 0.01 0.04 -0.04 0.95 1.04 1x9jG1 SER 142 H 0.10 0.14 0.21 -0.55 8.46 8.36 1x9jG1 SER 142 HA 0.06 0.26 0.83 -0.75 4.49 4.89 1x9jG1 SER 142 HB2 0.07 -0.03 -0.00 -0.04 3.95 3.94 1x9jG1 SER 142 HB3 0.11 0.01 -0.12 -0.04 3.93 3.88 1x9jG1 GLY 143 H 0.08 0.06 0.03 -0.55 8.43 8.04 1x9jG1 GLY 143 HA2 0.03 0.02 0.27 -0.51 4.01 3.82 1x9jG1 GLY 143 HA3 0.03 0.24 0.87 -0.51 4.01 4.64 1x9jG1 HIS 144 H 0.15 0.14 -0.06 -0.55 8.41 8.10 1x9jG1 HIS 144 HA 0.06 0.22 0.79 -0.75 4.63 4.94 1x9jG1 HIS 144 HB2 -0.07 0.07 -0.17 -0.04 3.26 3.04 1x9jG1 HIS 144 HB3 0.11 -0.09 0.09 -0.04 3.20 3.27 1x9jG1 HIS 144 HD2 -0.03 0.02 0.01 -0.04 6.97 6.92 1x9jG1 HIS 144 HE1 0.14 0.02 0.02 -0.04 7.75 7.89 1x9jG1 PRO 145 HA 0.12 0.08 0.37 -0.51 4.44 4.50 1x9jG1 PRO 145 HB2 0.12 -0.01 0.05 -0.04 2.28 2.40 1x9jG1 PRO 145 HB3 0.07 0.06 0.07 -0.04 2.02 2.17 1x9jG1 PRO 145 HG2 -0.02 0.05 0.08 -0.04 2.03 2.09 1x9jG1 PRO 145 HG3 0.02 0.05 0.07 -0.04 2.03 2.12 1x9jG1 PRO 145 HD2 -0.27 0.09 0.19 -0.04 3.68 3.64 1x9jG1 PRO 145 HD3 -0.10 0.20 0.14 -0.04 3.65 3.84 1x9jG1 ASN 146 H 0.55 -0.03 -0.30 -0.55 8.53 8.21 1x9jG1 ASN 146 HA 0.07 0.10 0.50 -0.75 4.76 4.67 1x9jG1 ASN 146 HB2 -0.02 -0.07 0.07 -0.04 2.88 2.82 1x9jG1 ASN 146 HB3 -0.20 0.02 -0.01 -0.04 2.79 2.56 1x9jG1 ASN 146 HD21 0.08 -0.01 -0.02 -0.04 7.03 7.04 1x9jG1 ASN 146 HD22 0.04 0.06 -0.01 -0.04 7.74 7.80 1x9jG1 TYR 147 H 0.57 -0.00 -0.03 -0.55 8.29 8.28 1x9jG1 TYR 147 HA 0.03 0.08 0.56 -0.75 4.56 4.48 1x9jG1 TYR 147 HB2 0.05 -0.04 0.04 -0.04 3.06 3.07 1x9jG1 TYR 147 HB3 0.02 0.02 0.05 -0.04 2.98 3.03 1x9jG1 TYR 147 HD2 -0.10 -0.03 0.04 -0.04 7.15 7.02 1x9jG1 TYR 147 HE2 -0.44 -0.00 -0.00 -0.04 6.85 6.37 1x9jG1 GLN 148 H 0.13 0.20 0.18 -0.55 8.47 8.43 1x9jG1 GLN 148 HA 0.12 0.19 0.77 -0.75 4.36 4.69 1x9jG1 GLN 148 HB2 0.08 -0.07 0.01 -0.04 2.15 2.13 1x9jG1 GLN 148 HB3 0.08 0.05 -0.09 -0.04 2.02 2.02 1x9jG1 GLN 148 HG2 0.12 0.23 -0.21 -0.04 2.40 2.49 1x9jG1 GLN 148 HG3 0.11 -0.02 -0.12 -0.04 2.39 2.32 1x9jG1 GLN 148 HE21 0.18 -0.08 -0.14 -0.04 6.97 6.89 1x9jG1 GLN 148 HE22 0.13 0.02 -0.05 -0.04 7.69 7.75 1x9jG1 ARG 149 H 0.08 0.61 0.17 -0.55 8.46 8.77 1x9jG1 ARG 149 HA 0.06 -0.06 0.50 -0.75 4.34 4.09 1x9jG1 ARG 149 HB2 0.05 0.12 0.23 -0.04 1.90 2.26 1x9jG1 ARG 149 HB3 0.05 -0.04 0.04 -0.04 1.80 1.80 1x9jG1 ARG 149 HG2 0.07 -0.13 -0.01 -0.04 1.67 1.55 1x9jG1 ARG 149 HG3 0.07 0.07 -0.24 -0.04 1.67 1.53 1x9jG1 ARG 149 HD2 0.06 0.01 -0.02 -0.04 3.22 3.22 1x9jG1 ARG 149 HD3 0.05 0.51 0.07 -0.04 3.22 3.81 1x9jG1 LYS 150 H 0.03 0.07 0.25 -0.55 8.42 8.23 1x9jG1 LYS 150 HA -0.00 0.18 0.78 -0.75 4.32 4.53 1x9jG1 LYS 150 HB2 0.00 -0.10 0.10 -0.04 1.87 1.83 1x9jG1 LYS 150 HB3 -0.03 0.01 -0.05 -0.04 1.79 1.68 1x9jG1 LYS 150 HG2 0.00 0.04 -0.07 -0.04 1.46 1.39 1x9jG1 LYS 150 HG3 0.02 0.16 0.05 -0.04 1.46 1.65 1x9jG1 LYS 150 HD2 -0.03 0.00 -0.01 -0.04 1.69 1.62 1x9jG1 LYS 150 HD3 -0.00 0.01 0.01 -0.04 1.68 1.66 1x9jG1 LYS 150 HE2 0.01 0.02 0.05 -0.04 2.99 3.03 1x9jG1 LYS 150 HE3 -0.01 -0.09 0.01 -0.04 2.99 2.87 1x9jG1 SER 151 H -0.04 0.19 0.05 -0.55 8.46 8.12 1x9jG1 SER 151 HA -0.01 0.14 0.59 -0.75 4.49 4.45 1x9jG1 SER 151 HB2 -0.03 -0.02 0.04 -0.04 3.95 3.89 1x9jG1 SER 151 HB3 -0.04 0.04 0.17 -0.04 3.93 4.06 1x9jG1 ILE 152 H 0.05 0.33 0.01 -0.55 8.25 8.09 1x9jG1 ILE 152 HA 0.01 0.50 1.03 -0.75 4.18 4.97 1x9jG1 ILE 152 HB -0.02 -0.19 0.16 -0.04 1.89 1.80 1x9jG1 ILE 152 HG12 -0.07 0.13 -0.18 -0.04 1.49 1.33 1x9jG1 ILE 152 HG13 -0.03 -0.08 -0.57 -0.04 1.21 0.48 1x9jG1 ILE 152 HG23 -0.11 -0.02 -0.16 -0.04 0.93 0.60 1x9jG1 ILE 152 HD13 -0.05 -0.01 -0.06 -0.04 0.88 0.72 1x9jG1 PHE 153 H 0.11 0.48 0.18 -0.55 8.34 8.55 1x9jG1 PHE 153 HA -0.18 0.13 0.76 -0.75 4.62 4.57 1x9jG1 PHE 153 HB2 0.06 -0.21 0.07 -0.04 3.15 3.03 1x9jG1 PHE 153 HB3 -0.02 0.20 -0.19 -0.04 3.06 3.01 1x9jG1 PHE 153 HD2 -0.01 -0.02 -0.27 -0.04 7.28 6.94 1x9jG1 PHE 153 HE2 -0.04 0.17 -0.18 -0.04 7.38 7.28 1x9jG1 PHE 153 HZ -0.07 0.01 -0.15 -0.04 7.32 7.07 1x9jG1 HIS 154 H 0.27 0.19 0.02 -0.55 8.41 8.35 1x9jG1 HIS 154 HA -0.34 0.16 0.64 -0.75 4.63 4.33 1x9jG1 HIS 154 HB2 -0.35 0.01 0.19 -0.04 3.26 3.07 1x9jG1 HIS 154 HB3 -0.53 -0.10 0.14 -0.04 3.20 2.66 1x9jG1 HIS 154 HD2 -0.32 -0.05 -0.01 -0.04 6.97 6.54 1x9jG1 HIS 154 HE1 0.06 0.04 -0.51 -0.04 7.75 7.30 1x9jG1 ALA 155 H -0.96 0.57 -0.32 -0.55 8.40 7.14 1x9jG1 ALA 155 HA -0.82 0.01 0.20 -0.75 4.34 2.98 1x9jG1 ALA 155 HB3 -0.64 0.09 -0.04 -0.04 1.41 0.79 1x9jG1 LEU 156 H -0.26 0.12 -0.24 -0.55 8.37 7.44 1x9jG1 LEU 156 HA -0.11 0.13 0.29 -0.75 4.35 3.90 1x9jG1 LEU 156 HB2 -0.13 0.16 0.08 -0.04 1.64 1.71 1x9jG1 LEU 156 HB3 -0.12 -0.19 0.08 -0.04 1.64 1.38 1x9jG1 LEU 156 HG -0.06 -0.06 -0.24 -0.04 1.64 1.23 1x9jG1 LEU 156 HD13 -0.07 0.03 -0.13 -0.04 0.93 0.72 1x9jG1 LEU 156 HD23 -0.06 0.02 -0.01 -0.04 0.89 0.81 1x9jG1 ASN 157 H -0.10 0.07 -0.10 -0.55 8.53 7.86 1x9jG1 ASN 157 HA -0.01 0.01 0.33 -0.75 4.76 4.33 1x9jG1 ASN 157 HB2 -0.01 -0.08 0.07 -0.04 2.88 2.83 1x9jG1 ASN 157 HB3 -0.05 0.07 0.06 -0.04 2.79 2.83 1x9jG1 ASN 157 HD21 0.05 0.16 0.06 -0.04 7.03 7.25 1x9jG1 ASN 157 HD22 0.02 -0.02 0.16 -0.04 7.74 7.85 1x9jG1 GLN 158 H -0.01 0.57 -0.18 -0.55 8.47 8.31 1x9jG1 GLN 158 HA 0.10 -0.02 0.25 -0.75 4.36 3.94 1x9jG1 GLN 158 HB2 0.19 0.08 0.00 -0.04 2.15 2.38 1x9jG1 GLN 158 HB3 0.44 0.02 -0.15 -0.04 2.02 2.29 1x9jG1 GLN 158 HG2 0.20 -0.06 -0.04 -0.04 2.40 2.45 1x9jG1 GLN 158 HG3 0.69 -0.08 -0.31 -0.04 2.39 2.65 1x9jG1 GLN 158 HE21 0.16 0.17 -0.25 -0.04 6.97 7.01 1x9jG1 GLN 158 HE22 0.22 -0.13 -0.04 -0.04 7.69 7.71 1x9jG1 LYS 159 H 0.02 0.69 -0.11 -0.55 8.42 8.46 1x9jG1 LYS 159 HA -0.07 0.01 0.33 -0.75 4.32 3.83 1x9jG1 LYS 159 HB2 -0.06 0.15 0.11 -0.04 1.87 2.02 1x9jG1 LYS 159 HB3 -0.10 -0.03 -0.04 -0.04 1.79 1.58 1x9jG1 LYS 159 HG2 0.05 0.01 0.04 -0.04 1.46 1.52 1x9jG1 LYS 159 HG3 0.00 -0.05 -0.03 -0.04 1.46 1.34 1x9jG1 LYS 159 HD2 0.08 0.02 -0.04 -0.04 1.69 1.72 1x9jG1 LYS 159 HD3 0.11 -0.05 -0.09 -0.04 1.68 1.62 1x9jG1 LYS 159 HE2 0.12 -0.05 -0.10 -0.04 2.99 2.92 1x9jG1 LYS 159 HE3 0.10 -0.01 -0.06 -0.04 2.99 2.98 1x9jG1 THR 160 H -0.06 0.41 -0.30 -0.55 8.28 7.78 1x9jG1 THR 160 HA -0.10 0.06 0.40 -0.75 4.39 3.99 1x9jG1 THR 160 HB -0.03 -0.03 0.15 -0.04 4.32 4.36 1x9jG1 THR 160 HG23 -0.02 -0.01 -0.15 -0.04 1.22 1.00 1x9jG1 VAL 161 H -0.07 0.73 0.08 -0.55 8.24 8.43 1x9jG1 VAL 161 HA -0.16 0.03 0.34 -0.75 4.13 3.58 1x9jG1 VAL 161 HB -0.46 0.00 -0.07 -0.04 2.12 1.56 1x9jG1 VAL 161 HG13 -0.02 0.00 0.01 -0.04 0.97 0.92 1x9jG1 VAL 161 HG23 -0.12 0.07 -0.05 -0.04 0.95 0.81 1x9jG1 ALA 162 H -0.16 0.58 -0.30 -0.55 8.40 7.98 1x9jG1 ALA 162 HA -0.20 0.01 0.30 -0.75 4.34 3.70 1x9jG1 ALA 162 HB3 -0.11 0.03 -0.00 -0.04 1.41 1.28 1x9jG1 LYS 163 H -0.30 0.53 -0.22 -0.55 8.42 7.87 1x9jG1 LYS 163 HA -0.14 -0.03 0.44 -0.75 4.32 3.84 1x9jG1 LYS 163 HB2 -0.15 0.13 0.14 -0.04 1.87 1.95 1x9jG1 LYS 163 HB3 -0.10 -0.06 0.04 -0.04 1.79 1.64 1x9jG1 LYS 163 HG2 -0.35 -0.12 0.03 -0.04 1.46 0.98 1x9jG1 LYS 163 HG3 -0.62 0.26 0.13 -0.04 1.46 1.19 1x9jG1 LYS 163 HD2 -0.14 -0.01 -0.07 -0.04 1.69 1.42 1x9jG1 LYS 163 HD3 -0.08 -0.03 -0.02 -0.04 1.68 1.50 1x9jG1 LYS 163 HE2 -0.04 -0.02 -0.03 -0.04 2.99 2.86 1x9jG1 LYS 163 HE3 -0.22 -0.01 -0.05 -0.04 2.99 2.67 1x9jG1 GLU 164 H -0.12 0.44 -0.27 -0.55 8.60 8.10 1x9jG1 GLU 164 HA 0.01 0.04 0.47 -0.75 4.29 4.06 1x9jG1 GLU 164 HB2 0.02 0.08 0.05 -0.04 2.09 2.21 1x9jG1 GLU 164 HB3 0.17 -0.02 0.01 -0.04 1.99 2.10 1x9jG1 GLU 164 HG2 0.02 -0.03 -0.05 -0.04 2.34 2.23 1x9jG1 GLU 164 HG3 -0.03 0.40 -0.05 -0.04 2.34 2.62 1x9jG1 VAL 165 H -0.17 0.45 -0.31 -0.55 8.24 7.66 1x9jG1 VAL 165 HA 0.02 0.05 0.36 -0.75 4.13 3.80 1x9jG1 VAL 165 HB -0.16 0.14 0.05 -0.04 2.12 2.12 1x9jG1 VAL 165 HG13 -0.27 -0.01 -0.22 -0.04 0.97 0.43 1x9jG1 VAL 165 HG23 -0.60 0.10 -0.08 -0.04 0.95 0.33 1x9jG1 ALA 166 H -0.03 0.36 -0.23 -0.55 8.40 7.96 1x9jG1 ALA 166 HA 0.02 0.08 0.19 -0.75 4.34 3.87 1x9jG1 ALA 166 HB3 0.09 0.01 -0.27 -0.04 1.41 1.20 1x9jG1 ARG 167 H 0.01 0.51 -0.24 -0.55 8.46 8.19 1x9jG1 ARG 167 HA 0.02 0.04 0.41 -0.75 4.34 4.06 1x9jG1 ARG 167 HB2 0.01 0.04 0.13 -0.04 1.90 2.04 1x9jG1 ARG 167 HB3 0.02 0.02 0.19 -0.04 1.80 1.98 1x9jG1 ARG 167 HG2 0.02 0.02 -0.26 -0.04 1.67 1.40 1x9jG1 ARG 167 HG3 0.01 -0.03 0.00 -0.04 1.67 1.61 1x9jG1 ARG 167 HD2 0.01 -0.03 -0.05 -0.04 3.22 3.12 1x9jG1 ARG 167 HD3 0.01 -0.03 -0.04 -0.04 3.22 3.12 1x9jG1 MET 168 H 0.02 0.61 -0.25 -0.55 8.47 8.31 1x9jG1 MET 168 HA 0.01 -0.04 0.32 -0.75 4.52 4.05 1x9jG1 MET 168 HB2 0.06 0.01 0.13 -0.04 2.15 2.31 1x9jG1 MET 168 HB3 0.02 0.16 0.08 -0.04 2.03 2.25 1x9jG1 MET 168 HG2 -0.02 0.03 -0.07 -0.04 2.63 2.53 1x9jG1 MET 168 HG3 -0.02 -0.07 0.08 -0.04 2.56 2.51 1x9jG1 MET 168 HE3 -0.09 0.02 -0.08 -0.04 2.10 1.91 1x9jG1 MET 169 H 0.00 0.31 -0.94 -0.55 8.47 7.29 1x9jG1 MET 169 HA 0.01 0.16 0.88 -0.75 4.52 4.81 1x9jG1 MET 169 HB2 0.01 0.02 -0.00 -0.04 2.15 2.13 1x9jG1 MET 169 HB3 0.04 -0.05 0.10 -0.04 2.03 2.08 1x9jG1 MET 169 HG2 -0.04 0.03 -0.25 -0.04 2.63 2.34 1x9jG1 MET 169 HG3 -0.09 0.12 -0.27 -0.04 2.56 2.28 1x9jG1 MET 169 HE3 0.13 -0.01 -0.04 -0.04 2.10 2.14 1x9jG1 ASN 170 H 0.01 0.48 -0.04 -0.55 8.53 8.44 1x9jG1 ASN 170 HA 0.02 -0.00 0.36 -0.75 4.76 4.38 1x9jG1 ASN 170 HB2 0.02 0.11 -0.03 -0.04 2.88 2.94 1x9jG1 ASN 170 HB3 0.02 -0.07 0.18 -0.04 2.79 2.88 1x9jG1 ASN 170 HD21 0.01 -0.03 -0.01 -0.04 7.03 6.96 1x9jG1 ASN 170 HD22 0.01 -0.03 0.02 -0.04 7.74 7.70 1x9jG1 LYS 171 H 0.03 0.51 -0.11 -0.55 8.42 8.30 1x9jG1 LYS 171 HA 0.03 0.15 0.78 -0.75 4.32 4.53 1x9jG1 LYS 171 HB2 0.05 -0.00 -0.12 -0.04 1.87 1.76 1x9jG1 LYS 171 HB3 0.05 -0.09 0.01 -0.04 1.79 1.73 1x9jG1 LYS 171 HG2 0.04 -0.01 -0.03 -0.04 1.46 1.43 1x9jG1 LYS 171 HG3 0.05 0.43 -0.36 -0.04 1.46 1.54 1x9jG1 LYS 171 HD2 0.10 -0.04 -0.08 -0.04 1.69 1.62 1x9jG1 LYS 171 HD3 0.08 -0.03 -0.04 -0.04 1.68 1.65 1x9jG1 LYS 171 HE2 0.06 -0.03 -0.00 -0.04 2.99 2.98 1x9jG1 LYS 171 HE3 0.08 0.07 -0.01 -0.04 2.99 3.09 1x9jG1 ARG 172 H 0.04 0.21 0.07 -0.55 8.46 8.23 1x9jG1 ARG 172 HA 0.07 0.20 0.86 -0.75 4.34 4.72 1x9jG1 ARG 172 HB2 0.03 0.02 0.07 -0.04 1.90 1.98 1x9jG1 ARG 172 HB3 0.05 -0.09 0.01 -0.04 1.80 1.72 1x9jG1 ARG 172 HG2 0.04 0.06 -0.11 -0.04 1.67 1.61 1x9jG1 ARG 172 HG3 0.03 0.04 -0.15 -0.04 1.67 1.55 1x9jG1 ARG 172 HD2 0.02 -0.02 -0.03 -0.04 3.22 3.15 1x9jG1 ARG 172 HD3 0.02 0.04 -0.05 -0.04 3.22 3.19 1x9jG1 TYR 173 H 0.18 0.22 0.09 -0.55 8.29 8.23 1x9jG1 TYR 173 HA 0.02 0.10 0.27 -0.75 4.56 4.20 1x9jG1 TYR 173 HB2 0.02 0.02 0.06 -0.04 3.06 3.12 1x9jG1 TYR 173 HB3 0.02 -0.00 0.07 -0.04 2.98 3.03 1x9jG1 TYR 173 HD2 0.04 0.05 -0.09 -0.04 7.15 7.10 1x9jG1 TYR 173 HE2 0.16 0.04 -0.10 -0.04 6.85 6.90 1x9jG1 GLU 174 H 0.04 0.04 -0.35 -0.55 8.60 7.78 1x9jG1 GLU 174 HA -0.25 0.12 -0.06 -0.75 4.29 3.34 1x9jG1 GLU 174 HB2 -0.01 -0.04 -0.07 -0.04 2.09 1.93 1x9jG1 GLU 174 HB3 -0.05 0.10 -0.02 -0.04 1.99 1.98 1x9jG1 GLU 174 HG2 0.00 0.03 -0.02 -0.04 2.34 2.32 1x9jG1 GLU 174 HG3 -0.05 0.10 -0.03 -0.04 2.34 2.33 1x9jG1 GLU 175 H -0.01 0.37 -0.47 -0.55 8.60 7.95 1x9jG1 GLU 175 HA -0.02 0.22 0.89 -0.75 4.29 4.62 1x9jG1 GLU 175 HB2 0.01 0.02 0.18 -0.04 2.09 2.26 1x9jG1 GLU 175 HB3 0.00 -0.04 -0.02 -0.04 1.99 1.89 1x9jG1 GLU 175 HG2 0.02 -0.02 0.12 -0.04 2.34 2.42 1x9jG1 GLU 175 HG3 0.03 0.07 0.04 -0.04 2.34 2.44 1x9jG1 MET 176 H -0.05 0.27 -0.31 -0.55 8.47 7.83 1x9jG1 MET 176 HA 0.03 0.19 0.79 -0.75 4.52 4.77 1x9jG1 MET 176 HB2 0.08 -0.00 -0.08 -0.04 2.15 2.10 1x9jG1 MET 176 HB3 0.10 -0.01 -0.09 -0.04 2.03 1.99 1x9jG1 MET 176 HG2 0.09 0.10 -0.06 -0.04 2.63 2.71 1x9jG1 MET 176 HG3 0.06 0.05 -0.49 -0.04 2.56 2.14 1x9jG1 MET 176 HE3 0.22 0.01 -0.13 -0.04 2.10 2.16 1x9jG1 ASN 177 H 0.03 0.22 0.19 -0.55 8.53 8.42 1x9jG1 ASN 177 HA 0.02 0.32 1.17 -0.75 4.76 5.52 1x9jG1 ASN 177 HB2 -0.01 -0.07 0.20 -0.04 2.88 2.96 1x9jG1 ASN 177 HB3 0.00 0.14 0.19 -0.04 2.79 3.08 1x9jG1 ASN 177 HD21 -0.01 -0.04 -0.00 -0.04 7.03 6.93 1x9jG1 ASN 177 HD22 -0.01 0.09 0.02 -0.04 7.74 7.79 1x9jG1 LEU 178 H 0.06 0.63 0.39 -0.55 8.37 8.91 1x9jG1 LEU 178 HA 0.02 0.27 1.02 -0.75 4.35 4.90 1x9jG1 LEU 178 HB2 -0.11 -0.10 -0.03 -0.04 1.64 1.35 1x9jG1 LEU 178 HB3 -0.08 -0.01 -0.04 -0.04 1.64 1.47 1x9jG1 LEU 178 HG 0.09 -0.06 -0.53 -0.04 1.64 1.10 1x9jG1 LEU 178 HD13 0.03 -0.01 -0.13 -0.04 0.93 0.78 1x9jG1 LEU 178 HD23 0.17 0.02 -0.06 -0.04 0.89 0.98 1x9jG1 VAL 179 H -0.03 0.52 0.26 -0.55 8.24 8.44 1x9jG1 VAL 179 HA -0.00 0.29 1.05 -0.75 4.13 4.72 1x9jG1 VAL 179 HB -0.03 -0.03 0.19 -0.04 2.12 2.21 1x9jG1 VAL 179 HG13 0.00 0.01 -0.13 -0.04 0.97 0.81 1x9jG1 VAL 179 HG23 -0.02 0.02 -0.24 -0.04 0.95 0.66 1x9jG1 VAL 180 H -0.09 0.41 0.17 -0.55 8.24 8.18 1x9jG1 VAL 180 HA -0.08 0.26 1.02 -0.75 4.13 4.57 1x9jG1 VAL 180 HB -0.08 -0.06 0.05 -0.04 2.12 1.99 1x9jG1 VAL 180 HG13 -0.04 -0.02 -0.17 -0.04 0.97 0.70 1x9jG1 VAL 180 HG23 -0.42 0.01 -0.17 -0.04 0.95 0.33 1x9jG1 ALA 181 H -0.03 0.74 0.34 -0.55 8.40 8.91 1x9jG1 ALA 181 HA 0.04 0.27 1.17 -0.75 4.34 5.06 1x9jG1 ALA 181 HB3 -0.01 0.01 -0.01 -0.04 1.41 1.36 1x9jG1 HIS 182 H 0.10 0.72 0.30 -0.55 8.41 8.99 1x9jG1 HIS 182 HA -0.11 0.10 0.52 -0.75 4.63 4.38 1x9jG1 HIS 182 HB2 -0.10 0.01 0.05 -0.04 3.26 3.18 1x9jG1 HIS 182 HB3 -0.28 -0.05 0.25 -0.04 3.20 3.07 1x9jG1 HIS 182 HD2 -0.96 0.13 -0.15 -0.04 6.97 5.95 1x9jG1 HIS 182 HE1 -0.07 -0.04 -0.04 -0.04 7.75 7.56 1x9jG1 MET 183 H -0.36 0.68 0.34 -0.55 8.47 8.58 1x9jG1 MET 183 HA -0.11 0.21 1.01 -0.75 4.52 4.87 1x9jG1 MET 183 HB2 -0.13 -0.11 0.15 -0.04 2.15 2.02 1x9jG1 MET 183 HB3 -0.10 0.01 0.00 -0.04 2.03 1.91 1x9jG1 MET 183 HG2 -0.08 0.03 -0.24 -0.04 2.63 2.30 1x9jG1 MET 183 HG3 -0.10 0.17 -0.25 -0.04 2.56 2.34 1x9jG1 MET 183 HE3 -0.06 0.01 -0.09 -0.04 2.10 1.92 1x9jG1 GLY 184 H -0.03 0.66 0.10 -0.55 8.43 8.62 1x9jG1 GLY 184 HA2 -0.03 0.03 0.81 -0.51 4.01 4.32 1x9jG1 GLY 184 HA3 0.02 -0.10 0.44 -0.51 4.01 3.86 1x9jG1 GLY 185 H 0.10 0.08 0.21 -0.55 8.43 8.27 1x9jG1 GLY 185 HA2 0.07 0.07 0.45 -0.51 4.01 4.08 1x9jG1 GLY 185 HA3 0.09 0.01 0.38 -0.51 4.01 3.97 1x9jG1 GLY 186 H 0.21 -0.04 -0.20 -0.55 8.43 7.85 1x9jG1 GLY 186 HA2 0.10 0.25 0.89 -0.51 4.01 4.74 1x9jG1 GLY 186 HA3 0.20 0.06 0.27 -0.51 4.01 4.03 1x9jG1 ILE 187 H 0.07 0.31 0.18 -0.55 8.25 8.26 1x9jG1 ILE 187 HA 0.05 0.31 1.23 -0.75 4.18 5.02 1x9jG1 ILE 187 HB -0.10 0.10 0.02 -0.04 1.89 1.87 1x9jG1 ILE 187 HG12 -0.06 -0.12 -0.01 -0.04 1.49 1.26 1x9jG1 ILE 187 HG13 -0.03 -0.06 -0.32 -0.04 1.21 0.76 1x9jG1 ILE 187 HG23 -0.10 0.00 -0.21 -0.04 0.93 0.58 1x9jG1 ILE 187 HD13 -0.15 0.02 -0.19 -0.04 0.88 0.53 1x9jG1 SER 188 H 0.09 0.59 0.32 -0.55 8.46 8.92 1x9jG1 SER 188 HA 0.06 0.20 0.93 -0.75 4.49 4.93 1x9jG1 SER 188 HB2 0.26 0.08 0.04 -0.04 3.95 4.28 1x9jG1 SER 188 HB3 0.31 0.08 -0.07 -0.04 3.93 4.21 1x9jG1 ILE 189 H 0.03 0.21 0.15 -0.55 8.25 8.09 1x9jG1 ILE 189 HA 0.06 0.34 1.12 -0.75 4.18 4.94 1x9jG1 ILE 189 HB 0.08 -0.02 0.10 -0.04 1.89 2.00 1x9jG1 ILE 189 HG12 0.02 0.02 -0.17 -0.04 1.49 1.33 1x9jG1 ILE 189 HG13 -0.02 -0.19 -0.50 -0.04 1.21 0.46 1x9jG1 ILE 189 HG23 0.10 0.02 -0.29 -0.04 0.93 0.71 1x9jG1 ILE 189 HD13 0.00 0.03 -0.07 -0.04 0.88 0.80 1x9jG1 ALA 190 H 0.08 0.61 0.32 -0.55 8.40 8.87 1x9jG1 ALA 190 HA -0.01 0.30 1.20 -0.75 4.34 5.08 1x9jG1 ALA 190 HB3 -0.07 -0.03 -0.03 -0.04 1.41 1.24 1x9jG1 ALA 191 H 0.02 0.55 0.25 -0.55 8.40 8.67 1x9jG1 ALA 191 HA 0.09 0.24 1.01 -0.75 4.34 4.93 1x9jG1 ALA 191 HB3 0.02 0.00 0.04 -0.04 1.41 1.43 1x9jG1 HIS 192 H 0.21 0.90 0.32 -0.55 8.41 9.30 1x9jG1 HIS 192 HA 0.00 0.14 0.68 -0.75 4.63 4.70 1x9jG1 HIS 192 HB2 0.08 -0.07 0.16 -0.04 3.26 3.39 1x9jG1 HIS 192 HB3 0.06 -0.04 -0.13 -0.04 3.20 3.05 1x9jG1 HIS 192 HD2 0.02 -0.04 -0.64 -0.04 6.97 6.26 1x9jG1 HIS 192 HE1 0.12 -0.02 -0.36 -0.04 7.75 7.44 1x9jG1 ARG 193 H -0.00 0.61 0.27 -0.55 8.46 8.78 1x9jG1 ARG 193 HA -0.00 0.16 1.03 -0.75 4.34 4.77 1x9jG1 ARG 193 HB2 -0.00 0.00 0.00 -0.04 1.90 1.86 1x9jG1 ARG 193 HB3 -0.02 0.00 0.23 -0.04 1.80 1.97 1x9jG1 ARG 193 HG2 -0.02 0.02 -0.08 -0.04 1.67 1.55 1x9jG1 ARG 193 HG3 -0.01 0.06 0.03 -0.04 1.67 1.70 1x9jG1 ARG 193 HD2 -0.02 -0.01 -0.02 -0.04 3.22 3.12 1x9jG1 ARG 193 HD3 -0.01 0.00 -0.02 -0.04 3.22 3.14 1x9jG1 LYS 194 H -0.05 0.45 0.11 -0.55 8.42 8.37 1x9jG1 LYS 194 HA -0.11 0.01 0.28 -0.75 4.32 3.75 1x9jG1 LYS 194 HB2 -0.06 0.09 -0.05 -0.04 1.87 1.81 1x9jG1 LYS 194 HB3 -0.07 0.08 0.31 -0.04 1.79 2.07 1x9jG1 LYS 194 HG2 -0.03 -0.09 -0.15 -0.04 1.46 1.14 1x9jG1 LYS 194 HG3 -0.03 -0.03 -0.03 -0.04 1.46 1.33 1x9jG1 LYS 194 HD2 -0.03 0.05 0.15 -0.04 1.69 1.81 1x9jG1 LYS 194 HD3 -0.04 -0.08 -0.01 -0.04 1.68 1.51 1x9jG1 LYS 194 HE2 -0.02 -0.02 -0.04 -0.04 2.99 2.88 1x9jG1 LYS 194 HE3 -0.01 0.01 -0.09 -0.04 2.99 2.86 1x9jG1 GLY 195 H -0.40 0.19 -0.13 -0.55 8.43 7.54 1x9jG1 GLY 195 HA2 -1.79 -0.06 0.10 -0.51 4.01 1.75 1x9jG1 GLY 195 HA3 -0.58 0.01 0.26 -0.51 4.01 3.19 1x9jG1 ARG 196 H -0.14 0.20 -0.51 -0.55 8.46 7.46 1x9jG1 ARG 196 HA -0.04 0.09 0.82 -0.75 4.34 4.46 1x9jG1 ARG 196 HB2 -0.04 0.08 -0.16 -0.04 1.90 1.74 1x9jG1 ARG 196 HB3 -0.05 0.16 0.10 -0.04 1.80 1.97 1x9jG1 ARG 196 HG2 -0.02 -0.01 -0.36 -0.04 1.67 1.24 1x9jG1 ARG 196 HG3 0.00 -0.07 -0.02 -0.04 1.67 1.54 1x9jG1 ARG 196 HD2 -0.01 -0.03 -0.02 -0.04 3.22 3.13 1x9jG1 ARG 196 HD3 -0.02 -0.03 -0.01 -0.04 3.22 3.11 1x9jG1 VAL 197 H -0.08 0.15 -0.05 -0.55 8.24 7.72 1x9jG1 VAL 197 HA -0.23 0.18 0.44 -0.75 4.13 3.77 1x9jG1 VAL 197 HB -0.15 -0.03 0.05 -0.04 2.12 1.95 1x9jG1 VAL 197 HG13 -0.54 -0.02 -0.18 -0.04 0.97 0.19 1x9jG1 VAL 197 HG23 -0.34 -0.01 -0.14 -0.04 0.95 0.42 1x9jG1 ILE 198 H -0.05 0.52 0.33 -0.55 8.25 8.50 1x9jG1 ILE 198 HA -0.03 0.18 0.23 -0.75 4.18 3.81 1x9jG1 ILE 198 HB -0.01 -0.11 0.17 -0.04 1.89 1.90 1x9jG1 ILE 198 HG12 -0.01 0.18 0.17 -0.04 1.49 1.79 1x9jG1 ILE 198 HG13 -0.01 -0.04 -0.17 -0.04 1.21 0.94 1x9jG1 ILE 198 HG23 -0.02 0.08 0.09 -0.04 0.93 1.04 1x9jG1 ILE 198 HD13 -0.00 -0.00 -0.05 -0.04 0.88 0.78 1x9jG1 ASP 199 H -0.08 0.19 -0.40 -0.55 8.40 7.55 1x9jG1 ASP 199 HA -0.05 0.10 0.48 -0.75 4.63 4.40 1x9jG1 ASP 199 HB2 -0.01 0.10 -0.26 -0.04 2.71 2.50 1x9jG1 ASP 199 HB3 -0.01 -0.07 -0.05 -0.04 2.70 2.53 1x9jG1 VAL 200 H -0.06 0.44 0.19 -0.55 8.24 8.26 1x9jG1 VAL 200 HA -0.05 0.23 0.53 -0.75 4.13 4.09 1x9jG1 VAL 200 HB -0.43 0.05 -0.12 -0.04 2.12 1.58 1x9jG1 VAL 200 HG13 -0.45 0.02 -0.26 -0.04 0.97 0.23 1x9jG1 VAL 200 HG23 -0.21 0.03 -0.15 -0.04 0.95 0.58 1x9jG1 ASN 201 H -0.00 0.05 0.16 -0.55 8.53 8.19 1x9jG1 ASN 201 HA 0.05 0.19 0.64 -0.75 4.76 4.88 1x9jG1 ASN 201 HB2 -0.01 0.07 -0.05 -0.04 2.88 2.86 1x9jG1 ASN 201 HB3 0.07 0.01 0.05 -0.04 2.79 2.88 1x9jG1 ASN 201 HD21 -0.09 0.26 0.16 -0.04 7.03 7.32 1x9jG1 ASN 201 HD22 -0.12 0.59 0.06 -0.04 7.74 8.22 1x9jG1 ASN 202 H 0.02 0.17 0.11 -0.55 8.53 8.29 1x9jG1 ASN 202 HA 0.01 0.14 0.87 -0.75 4.76 5.03 1x9jG1 ASN 202 HB2 0.02 0.14 0.19 -0.04 2.88 3.19 1x9jG1 ASN 202 HB3 0.02 0.00 0.20 -0.04 2.79 2.97 1x9jG1 ASN 202 HD21 -0.00 0.03 0.03 -0.04 7.03 7.05 1x9jG1 ASN 202 HD22 0.02 0.03 0.12 -0.04 7.74 7.87 1x9jG1 ALA 203 H 0.02 0.74 0.29 -0.55 8.40 8.90 1x9jG1 ALA 203 HA -0.00 0.17 0.43 -0.75 4.34 4.18 1x9jG1 ALA 203 HB3 0.01 -0.04 0.08 -0.04 1.41 1.42 1x9jG1 LEU 204 H -0.01 0.00 -0.68 -0.55 8.37 7.14 1x9jG1 LEU 204 HA 0.02 0.21 1.09 -0.75 4.35 4.92 1x9jG1 LEU 204 HB2 -0.02 -0.01 0.04 -0.04 1.64 1.61 1x9jG1 LEU 204 HB3 0.01 0.06 -0.04 -0.04 1.64 1.64 1x9jG1 LEU 204 HG -0.09 -0.06 -0.34 -0.04 1.64 1.11 1x9jG1 LEU 204 HD13 -0.13 0.00 -0.11 -0.04 0.93 0.65 1x9jG1 LEU 204 HD23 0.12 0.02 0.02 -0.04 0.89 1.01 1x9jG1 ASP 205 H 0.01 0.05 0.04 -0.55 8.40 7.95 1x9jG1 ASP 205 HA 0.02 0.13 0.44 -0.75 4.63 4.46 1x9jG1 ASP 205 HB2 0.03 -0.02 0.13 -0.04 2.71 2.81 1x9jG1 ASP 205 HB3 0.03 0.06 0.22 -0.04 2.70 2.98 1x9jG1 GLY 206 H 0.02 0.30 -0.81 -0.55 8.43 7.39 1x9jG1 GLY 206 HA2 0.02 -0.10 0.30 -0.51 4.01 3.72 1x9jG1 GLY 206 HA3 0.03 0.06 0.42 -0.51 4.01 4.01 1x9jG1 ASP 207 H -0.01 0.23 -0.06 -0.55 8.40 8.01 1x9jG1 ASP 207 HA 0.04 0.12 0.62 -0.75 4.63 4.65 1x9jG1 ASP 207 HB2 0.05 0.17 -0.14 -0.04 2.71 2.75 1x9jG1 ASP 207 HB3 0.02 -0.02 0.09 -0.04 2.70 2.74 1x9jG1 GLY 208 H 0.00 0.16 0.07 -0.55 8.43 8.12 1x9jG1 GLY 208 HA2 -0.93 0.02 0.29 -0.51 4.01 2.88 1x9jG1 GLY 208 HA3 -0.60 0.21 0.89 -0.51 4.01 4.01 1x9jG1 PRO 209 HA -0.54 0.09 0.47 -0.51 4.44 3.95 1x9jG1 PRO 209 HB2 -0.41 0.11 -0.08 -0.04 2.28 1.85 1x9jG1 PRO 209 HB3 -0.50 0.02 -0.19 -0.04 2.02 1.32 1x9jG1 PRO 209 HG2 -0.40 -0.01 -0.11 -0.04 2.03 1.47 1x9jG1 PRO 209 HG3 -0.38 0.02 -0.09 -0.04 2.03 1.54 1x9jG1 PRO 209 HD2 -0.84 0.12 0.17 -0.04 3.68 3.09 1x9jG1 PRO 209 HD3 -2.14 0.13 0.10 -0.04 3.65 1.70 1x9jG1 PHE 210 H -0.14 0.11 0.13 -0.55 8.34 7.89 1x9jG1 PHE 210 HA -0.08 0.01 0.34 -0.75 4.62 4.14 1x9jG1 PHE 210 HB2 -0.01 0.22 0.22 -0.04 3.15 3.54 1x9jG1 PHE 210 HB3 -0.02 0.20 0.02 -0.04 3.06 3.21 1x9jG1 PHE 210 HD2 -0.03 0.08 -0.04 -0.04 7.28 7.25 1x9jG1 PHE 210 HE2 -0.10 -0.03 -0.11 -0.04 7.38 7.10 1x9jG1 PHE 210 HZ -0.20 0.18 -0.02 -0.04 7.32 7.24 1x9jG1 THR 211 H 0.08 0.09 0.18 -0.55 8.28 8.08 1x9jG1 THR 211 HA -0.07 0.16 0.56 -0.75 4.39 4.29 1x9jG1 THR 211 HB 0.03 0.17 0.08 -0.04 4.32 4.55 1x9jG1 THR 211 HG23 -0.00 -0.01 0.09 -0.04 1.22 1.25 1x9jG1 PRO 212 HA 0.15 -0.01 0.51 -0.51 4.44 4.58 1x9jG1 PRO 212 HB2 0.07 0.05 0.06 -0.04 2.28 2.42 1x9jG1 PRO 212 HB3 0.10 -0.00 0.07 -0.04 2.02 2.15 1x9jG1 PRO 212 HG2 0.06 -0.05 -0.01 -0.04 2.03 1.98 1x9jG1 PRO 212 HG3 0.08 0.02 0.01 -0.04 2.03 2.10 1x9jG1 PRO 212 HD2 0.05 0.25 0.20 -0.04 3.68 4.13 1x9jG1 PRO 212 HD3 0.00 0.13 0.15 -0.04 3.65 3.90 1x9jG1 GLU 213 H 0.09 0.06 -0.41 -0.55 8.60 7.80 1x9jG1 GLU 213 HA 0.09 0.25 0.67 -0.75 4.29 4.54 1x9jG1 GLU 213 HB2 0.05 0.11 0.18 -0.04 2.09 2.40 1x9jG1 GLU 213 HB3 0.06 0.01 -0.10 -0.04 1.99 1.92 1x9jG1 GLU 213 HG2 0.06 -0.05 0.07 -0.04 2.34 2.38 1x9jG1 GLU 213 HG3 0.06 0.05 -0.06 -0.04 2.34 2.34 1x9jG1 ARG 214 H 0.12 0.21 -0.07 -0.55 8.46 8.17 1x9jG1 ARG 214 HA 0.07 0.12 0.63 -0.75 4.34 4.40 1x9jG1 ARG 214 HB2 0.06 -0.16 0.14 -0.04 1.90 1.90 1x9jG1 ARG 214 HB3 0.05 0.07 0.17 -0.04 1.80 2.05 1x9jG1 ARG 214 HG2 0.04 0.01 0.20 -0.04 1.67 1.89 1x9jG1 ARG 214 HG3 0.06 -0.05 -0.49 -0.04 1.67 1.15 1x9jG1 ARG 214 HD2 0.06 -0.03 0.15 -0.04 3.22 3.35 1x9jG1 ARG 214 HD3 0.04 0.09 0.12 -0.04 3.22 3.44 1x9jG1 SER 215 H 0.06 0.48 0.12 -0.55 8.46 8.58 1x9jG1 SER 215 HA 0.10 0.00 0.61 -0.75 4.49 4.45 1x9jG1 SER 215 HB2 0.06 0.03 0.04 -0.04 3.95 4.04 1x9jG1 SER 215 HB3 0.05 -0.06 0.12 -0.04 3.93 4.00 1x9jG1 GLY 216 H 0.05 0.01 -0.16 -0.55 8.43 7.79 1x9jG1 GLY 216 HA2 -0.02 -0.06 -0.01 -0.51 4.01 3.40 1x9jG1 GLY 216 HA3 -0.01 0.14 0.04 -0.51 4.01 3.68 1x9jG1 THR 217 H 0.05 0.30 0.22 -0.55 8.28 8.29 1x9jG1 THR 217 HA 0.07 0.31 0.87 -0.75 4.39 4.89 1x9jG1 THR 217 HB 0.25 -0.01 0.09 -0.04 4.32 4.61 1x9jG1 THR 217 HG23 0.14 0.01 -0.06 -0.04 1.22 1.27 1x9jG1 LEU 218 H 0.07 0.31 0.19 -0.55 8.37 8.39 1x9jG1 LEU 218 HA 0.08 0.13 0.71 -0.75 4.35 4.52 1x9jG1 LEU 218 HB2 0.04 0.01 -0.02 -0.04 1.64 1.62 1x9jG1 LEU 218 HB3 0.05 -0.01 0.02 -0.04 1.64 1.65 1x9jG1 LEU 218 HG 0.06 0.01 -0.70 -0.04 1.64 0.97 1x9jG1 LEU 218 HD13 0.04 -0.02 -0.09 -0.04 0.93 0.81 1x9jG1 LEU 218 HD23 0.07 0.04 0.07 -0.04 0.89 1.03 1x9jG1 PRO 219 HA 0.04 0.06 0.44 -0.51 4.44 4.46 1x9jG1 PRO 219 HB2 0.03 -0.10 0.01 -0.04 2.28 2.18 1x9jG1 PRO 219 HB3 0.03 -0.00 0.11 -0.04 2.02 2.12 1x9jG1 PRO 219 HG2 0.05 0.06 0.07 -0.04 2.03 2.17 1x9jG1 PRO 219 HG3 0.05 0.08 0.08 -0.04 2.03 2.20 1x9jG1 PRO 219 HD2 0.05 0.12 0.17 -0.04 3.68 3.97 1x9jG1 PRO 219 HD3 0.07 0.20 0.19 -0.04 3.65 4.07 1x9jG1 LEU 220 H 0.02 0.13 0.20 -0.55 8.37 8.18 1x9jG1 LEU 220 HA 0.00 0.22 0.55 -0.75 4.35 4.37 1x9jG1 LEU 220 HB2 0.01 -0.07 0.20 -0.04 1.64 1.74 1x9jG1 LEU 220 HB3 0.00 0.04 0.05 -0.04 1.64 1.69 1x9jG1 LEU 220 HG -0.00 -0.02 0.12 -0.04 1.64 1.70 1x9jG1 LEU 220 HD13 -0.02 0.02 0.04 -0.04 0.93 0.92 1x9jG1 LEU 220 HD23 -0.03 0.04 0.02 -0.04 0.89 0.87 1x9jG1 THR 221 H 0.02 0.14 0.09 -0.55 8.28 7.98 1x9jG1 THR 221 HA 0.03 0.09 0.37 -0.75 4.39 4.13 1x9jG1 THR 221 HB 0.03 -0.02 0.06 -0.04 4.32 4.35 1x9jG1 THR 221 HG23 0.03 0.02 -0.09 -0.04 1.22 1.15 1x9jG1 GLN 222 H 0.02 0.05 -0.42 -0.55 8.47 7.57 1x9jG1 GLN 222 HA 0.02 0.08 0.39 -0.75 4.36 4.10 1x9jG1 GLN 222 HB2 0.03 0.09 -0.07 -0.04 2.15 2.15 1x9jG1 GLN 222 HB3 0.02 0.05 0.02 -0.04 2.02 2.07 1x9jG1 GLN 222 HG2 0.03 0.03 -0.01 -0.04 2.40 2.40 1x9jG1 GLN 222 HG3 0.03 -0.11 -0.02 -0.04 2.39 2.24 1x9jG1 GLN 222 HE21 0.04 0.02 0.01 -0.04 6.97 6.99 1x9jG1 GLN 222 HE22 0.03 0.02 0.00 -0.04 7.69 7.70 1x9jG1 LEU 223 H 0.01 0.31 -0.48 -0.55 8.37 7.66 1x9jG1 LEU 223 HA -0.01 0.14 0.65 -0.75 4.35 4.37 1x9jG1 LEU 223 HB2 0.00 0.08 0.02 -0.04 1.64 1.70 1x9jG1 LEU 223 HB3 -0.01 0.04 0.22 -0.04 1.64 1.85 1x9jG1 LEU 223 HG -0.06 -0.03 -0.28 -0.04 1.64 1.24 1x9jG1 LEU 223 HD13 -0.02 -0.00 -0.07 -0.04 0.93 0.79 1x9jG1 LEU 223 HD23 -0.01 -0.00 -0.04 -0.04 0.89 0.81 1x9jG1 VAL 224 H -0.01 0.61 0.16 -0.55 8.24 8.45 1x9jG1 VAL 224 HA -0.16 0.05 0.32 -0.75 4.13 3.58 1x9jG1 VAL 224 HB 0.04 -0.00 0.03 -0.04 2.12 2.14 1x9jG1 VAL 224 HG13 0.13 -0.00 -0.01 -0.04 0.97 1.05 1x9jG1 VAL 224 HG23 0.00 0.04 0.04 -0.04 0.95 0.99 1x9jG1 ASP 225 H 0.02 0.22 -0.72 -0.55 8.40 7.37 1x9jG1 ASP 225 HA 0.13 0.06 0.57 -0.75 4.63 4.64 1x9jG1 ASP 225 HB2 0.05 0.06 0.09 -0.04 2.71 2.88 1x9jG1 ASP 225 HB3 0.04 0.03 0.09 -0.04 2.70 2.81 1x9jG1 LEU 226 H 0.01 0.32 -0.09 -0.55 8.37 8.06 1x9jG1 LEU 226 HA 0.04 0.07 0.54 -0.75 4.35 4.25 1x9jG1 LEU 226 HB2 0.00 0.12 0.18 -0.04 1.64 1.91 1x9jG1 LEU 226 HB3 0.01 -0.02 0.23 -0.04 1.64 1.82 1x9jG1 LEU 226 HG 0.02 -0.02 0.09 -0.04 1.64 1.70 1x9jG1 LEU 226 HD13 0.01 -0.01 0.06 -0.04 0.93 0.95 1x9jG1 LEU 226 HD23 0.03 -0.02 -0.01 -0.04 0.89 0.85 1x9jG1 CYS 227 H -0.09 0.06 -1.11 -0.55 8.50 6.81 1x9jG1 CYS 227 HA -0.11 0.12 0.60 -0.75 4.58 4.44 1x9jG1 CYS 227 HB2 -0.21 0.15 -0.15 -0.04 2.97 2.71 1x9jG1 CYS 227 HB3 -0.58 0.05 -0.04 -0.04 2.97 2.36 1x9jG1 PHE 228 H -0.00 0.23 -0.04 -0.55 8.34 7.97 1x9jG1 PHE 228 HA 0.30 0.12 0.63 -0.75 4.62 4.91 1x9jG1 PHE 228 HB2 0.06 0.06 0.12 -0.04 3.15 3.35 1x9jG1 PHE 228 HB3 0.08 -0.06 0.04 -0.04 3.06 3.08 1x9jG1 PHE 228 HD2 0.17 0.04 0.07 -0.04 7.28 7.52 1x9jG1 PHE 228 HE2 0.05 -0.03 0.01 -0.04 7.38 7.37 1x9jG1 PHE 228 HZ 0.03 -0.04 -0.00 -0.04 7.32 7.27 1x9jG1 SER 229 H 0.16 0.26 -0.02 -0.55 8.46 8.31 1x9jG1 SER 229 HA 0.10 0.08 0.72 -0.75 4.49 4.64 1x9jG1 SER 229 HB2 0.08 0.04 0.10 -0.04 3.95 4.12 1x9jG1 SER 229 HB3 0.06 -0.04 -0.02 -0.04 3.93 3.89 1x9jG1 GLY 230 H 0.07 0.15 0.11 -0.55 8.43 8.22 1x9jG1 GLY 230 HA2 0.05 -0.03 0.27 -0.51 4.01 3.79 1x9jG1 GLY 230 HA3 0.05 0.20 0.81 -0.51 4.01 4.57 1x9jG1 LYS 231 H 0.05 0.18 0.08 -0.55 8.42 8.18 1x9jG1 LYS 231 HA 0.08 -0.01 0.45 -0.75 4.32 4.09 1x9jG1 LYS 231 HB2 0.03 0.12 0.21 -0.04 1.87 2.18 1x9jG1 LYS 231 HB3 0.04 -0.12 0.10 -0.04 1.79 1.77 1x9jG1 LYS 231 HG2 0.03 0.01 0.10 -0.04 1.46 1.55 1x9jG1 LYS 231 HG3 0.02 0.03 0.05 -0.04 1.46 1.52 1x9jG1 LYS 231 HD2 0.03 -0.04 0.03 -0.04 1.69 1.67 1x9jG1 LYS 231 HD3 0.04 0.00 -0.00 -0.04 1.68 1.68 1x9jG1 LYS 231 HE2 0.02 0.02 0.01 -0.04 2.99 2.99 1x9jG1 LYS 231 HE3 0.02 0.00 0.00 -0.04 2.99 2.97 1x9jG1 PHE 232 H 0.22 0.21 0.27 -0.55 8.34 8.49 1x9jG1 PHE 232 HA 0.03 0.32 0.32 -0.75 4.62 4.53 1x9jG1 PHE 232 HB2 0.04 0.13 0.12 -0.04 3.15 3.41 1x9jG1 PHE 232 HB3 0.04 -0.11 0.07 -0.04 3.06 3.02 1x9jG1 PHE 232 HD2 0.07 0.06 0.06 -0.04 7.28 7.43 1x9jG1 PHE 232 HE2 0.15 -0.03 0.04 -0.04 7.38 7.50 1x9jG1 PHE 232 HZ 0.05 -0.03 0.03 -0.04 7.32 7.33 1x9jG1 THR 233 H 0.07 -0.02 -0.90 -0.55 8.28 6.87 1x9jG1 THR 233 HA 0.05 0.00 0.37 -0.75 4.39 4.06 1x9jG1 THR 233 HB 0.02 -0.27 0.10 -0.04 4.32 4.12 1x9jG1 THR 233 HG23 0.05 0.02 0.03 -0.04 1.22 1.28 1x9jG1 TYR 234 H 0.05 0.18 0.32 -0.55 8.29 8.28 1x9jG1 TYR 234 HA -0.20 0.16 0.38 -0.75 4.56 4.15 1x9jG1 TYR 234 HB2 -0.19 0.10 0.20 -0.04 3.06 3.13 1x9jG1 TYR 234 HB3 -0.07 -0.09 0.12 -0.04 2.98 2.89 1x9jG1 TYR 234 HD2 -0.07 -0.00 0.12 -0.04 7.15 7.16 1x9jG1 TYR 234 HE2 -0.03 0.00 0.02 -0.04 6.85 6.80 1x9jG1 GLU 235 H 0.01 -0.05 -0.22 -0.55 8.60 7.80 1x9jG1 GLU 235 HA -0.12 0.25 0.79 -0.75 4.29 4.46 1x9jG1 GLU 235 HB2 -0.03 -0.07 0.08 -0.04 2.09 2.03 1x9jG1 GLU 235 HB3 -0.07 0.06 -0.00 -0.04 1.99 1.93 1x9jG1 GLU 235 HG2 -0.08 -0.08 -0.00 -0.04 2.34 2.14 1x9jG1 GLU 235 HG3 -0.08 0.04 -0.00 -0.04 2.34 2.26 1x9jG1 GLU 236 H -0.00 0.02 -0.01 -0.55 8.60 8.07 1x9jG1 GLU 236 HA -0.01 0.09 0.35 -0.75 4.29 3.97 1x9jG1 GLU 236 HB2 0.01 -0.02 0.13 -0.04 2.09 2.16 1x9jG1 GLU 236 HB3 0.01 0.03 0.08 -0.04 1.99 2.06 1x9jG1 GLU 236 HG2 0.00 0.02 0.03 -0.04 2.34 2.36 1x9jG1 GLU 236 HG3 0.01 0.02 -0.00 -0.04 2.34 2.32 1x9jG1 MET 237 H 0.00 0.42 -0.25 -0.55 8.47 8.10 1x9jG1 MET 237 HA -0.00 0.01 0.38 -0.75 4.52 4.16 1x9jG1 MET 237 HB2 -0.02 0.09 0.07 -0.04 2.15 2.26 1x9jG1 MET 237 HB3 -0.01 0.10 -0.03 -0.04 2.03 2.05 1x9jG1 MET 237 HG2 -0.01 -0.04 -0.19 -0.04 2.63 2.34 1x9jG1 MET 237 HG3 -0.01 -0.05 0.02 -0.04 2.56 2.48 1x9jG1 MET 237 HE3 -0.04 0.03 0.01 -0.04 2.10 2.06 1x9jG1 LYS 238 H -0.00 0.28 -0.45 -0.55 8.42 7.69 1x9jG1 LYS 238 HA 0.00 0.04 0.40 -0.75 4.32 4.01 1x9jG1 LYS 238 HB2 -0.02 0.09 0.19 -0.04 1.87 2.09 1x9jG1 LYS 238 HB3 -0.04 0.19 0.16 -0.04 1.79 2.06 1x9jG1 LYS 238 HG2 -0.05 -0.04 0.07 -0.04 1.46 1.40 1x9jG1 LYS 238 HG3 -0.02 -0.04 0.07 -0.04 1.46 1.43 1x9jG1 LYS 238 HD2 -0.00 -0.03 0.08 -0.04 1.69 1.69 1x9jG1 LYS 238 HD3 0.01 0.00 0.12 -0.04 1.68 1.77 1x9jG1 LYS 238 HE2 -0.02 -0.03 0.05 -0.04 2.99 2.96 1x9jG1 LYS 238 HE3 0.03 -0.01 0.04 -0.04 2.99 3.01 1x9jG1 LYS 239 H -0.01 0.47 -0.53 -0.55 8.42 7.80 1x9jG1 LYS 239 HA -0.00 0.17 0.79 -0.75 4.32 4.53 1x9jG1 LYS 239 HB2 -0.01 -0.03 0.06 -0.04 1.87 1.85 1x9jG1 LYS 239 HB3 -0.00 0.18 0.14 -0.04 1.79 2.07 1x9jG1 LYS 239 HG2 0.01 -0.11 -0.06 -0.04 1.46 1.26 1x9jG1 LYS 239 HG3 -0.00 0.05 0.14 -0.04 1.46 1.60 1x9jG1 LYS 239 HD2 0.00 -0.01 -0.00 -0.04 1.69 1.64 1x9jG1 LYS 239 HD3 -0.00 -0.01 0.01 -0.04 1.68 1.64 1x9jG1 LYS 239 HE2 0.00 0.04 0.01 -0.04 2.99 3.00 1x9jG1 LYS 239 HE3 0.01 -0.01 -0.07 -0.04 2.99 2.87 1x9jG1 ARG 240 H 0.00 0.39 -0.07 -0.55 8.46 8.23 1x9jG1 ARG 240 HA 0.02 -0.05 0.43 -0.75 4.34 3.98 1x9jG1 ARG 240 HB2 0.01 0.22 0.15 -0.04 1.90 2.23 1x9jG1 ARG 240 HB3 0.01 -0.03 0.09 -0.04 1.80 1.82 1x9jG1 ARG 240 HG2 0.01 0.09 -0.05 -0.04 1.67 1.67 1x9jG1 ARG 240 HG3 0.00 -0.00 -0.01 -0.04 1.67 1.62 1x9jG1 ARG 240 HD2 0.01 -0.05 -0.08 -0.04 3.22 3.07 1x9jG1 ARG 240 HD3 0.01 -0.01 -0.05 -0.04 3.22 3.13 1x9jG1 ILE 241 H 0.01 0.18 -0.68 -0.55 8.25 7.21 1x9jG1 ILE 241 HA 0.03 0.09 0.66 -0.75 4.18 4.21 1x9jG1 ILE 241 HB 0.02 0.15 0.04 -0.04 1.89 2.06 1x9jG1 ILE 241 HG12 0.02 -0.02 -0.06 -0.04 1.49 1.39 1x9jG1 ILE 241 HG13 0.01 0.15 -0.03 -0.04 1.21 1.30 1x9jG1 ILE 241 HG23 0.03 0.00 -0.06 -0.04 0.93 0.86 1x9jG1 ILE 241 HD13 0.01 0.00 -0.02 -0.04 0.88 0.84 1x9jG1 VAL 242 H 0.02 0.27 -0.18 -0.55 8.24 7.80 1x9jG1 VAL 242 HA 0.04 0.01 0.86 -0.75 4.13 4.28 1x9jG1 VAL 242 HB 0.02 0.04 0.23 -0.04 2.12 2.36 1x9jG1 VAL 242 HG13 0.03 -0.03 0.02 -0.04 0.97 0.95 1x9jG1 VAL 242 HG23 0.03 0.04 -0.05 -0.04 0.95 0.92 1x9jG1 GLY 243 H 0.04 0.44 0.20 -0.55 8.43 8.57 1x9jG1 GLY 243 HA2 0.02 -0.08 0.45 -0.51 4.01 3.90 1x9jG1 GLY 243 HA3 0.01 0.19 0.93 -0.51 4.01 4.63 1x9jG1 ASN 244 H 0.03 0.24 0.04 -0.55 8.53 8.29 1x9jG1 ASN 244 HA 0.04 0.21 0.89 -0.75 4.76 5.15 1x9jG1 ASN 244 HB2 0.02 -0.00 -0.03 -0.04 2.88 2.83 1x9jG1 ASN 244 HB3 0.02 0.00 0.02 -0.04 2.79 2.80 1x9jG1 ASN 244 HD21 0.01 -0.02 -0.07 -0.04 7.03 6.91 1x9jG1 ASN 244 HD22 0.01 -0.01 -0.07 -0.04 7.74 7.63 1x9jG1 GLY 245 H 0.04 -0.06 -0.12 -0.55 8.43 7.75 1x9jG1 GLY 245 HA2 0.06 0.16 0.50 -0.51 4.01 4.22 1x9jG1 GLY 245 HA3 0.06 0.10 0.19 -0.51 4.01 3.85 1x9jG1 GLY 246 H 0.09 0.16 -0.10 -0.55 8.43 8.03 1x9jG1 GLY 246 HA2 0.12 0.17 0.19 -0.51 4.01 3.97 1x9jG1 GLY 246 HA3 0.16 -0.01 0.33 -0.51 4.01 3.99 1x9jG1 LEU 247 H 0.25 0.40 0.09 -0.55 8.37 8.56 1x9jG1 LEU 247 HA 0.10 -0.04 0.29 -0.75 4.35 3.94 1x9jG1 LEU 247 HB2 0.16 0.06 0.21 -0.04 1.64 2.03 1x9jG1 LEU 247 HB3 0.14 -0.05 -0.10 -0.04 1.64 1.58 1x9jG1 LEU 247 HG 0.33 0.11 -0.06 -0.04 1.64 1.97 1x9jG1 LEU 247 HD13 0.23 -0.04 -0.07 -0.04 0.93 1.02 1x9jG1 LEU 247 HD23 0.19 -0.01 -0.10 -0.04 0.89 0.92 1x9jG1 VAL 248 H 0.12 0.23 -0.57 -0.55 8.24 7.47 1x9jG1 VAL 248 HA 0.10 0.36 0.26 -0.75 4.13 4.10 1x9jG1 VAL 248 HB 0.08 -0.04 0.11 -0.04 2.12 2.22 1x9jG1 VAL 248 HG13 0.08 0.12 -0.30 -0.04 0.97 0.82 1x9jG1 VAL 248 HG23 0.06 0.01 -0.07 -0.04 0.95 0.91 1x9jG1 ALA 249 H 0.15 0.34 -0.49 -0.55 8.40 7.85 1x9jG1 ALA 249 HA 0.06 0.10 0.46 -0.75 4.34 4.20 1x9jG1 ALA 249 HB3 0.07 0.03 0.11 -0.04 1.41 1.58 1x9jG1 TYR 250 H 0.35 0.20 -0.46 -0.55 8.29 7.83 1x9jG1 TYR 250 HA 0.19 0.17 0.73 -0.75 4.56 4.89 1x9jG1 TYR 250 HB2 0.04 -0.04 0.11 -0.04 3.06 3.12 1x9jG1 TYR 250 HB3 0.17 -0.04 -0.03 -0.04 2.98 3.03 1x9jG1 TYR 250 HD2 -0.05 0.06 -0.10 -0.04 7.15 7.02 1x9jG1 TYR 250 HE2 -0.16 -0.01 -0.05 -0.04 6.85 6.59 1x9jG1 LEU 251 H 0.25 0.47 0.14 -0.55 8.37 8.69 1x9jG1 LEU 251 HA 0.26 0.11 0.53 -0.75 4.35 4.50 1x9jG1 LEU 251 HB2 0.12 0.07 0.02 -0.04 1.64 1.81 1x9jG1 LEU 251 HB3 0.12 -0.09 0.16 -0.04 1.64 1.79 1x9jG1 LEU 251 HG 0.14 0.03 0.07 -0.04 1.64 1.84 1x9jG1 LEU 251 HD13 0.04 -0.02 0.02 -0.04 0.93 0.94 1x9jG1 LEU 251 HD23 0.19 0.02 -0.12 -0.04 0.89 0.94 1x9jG1 GLY 252 H 0.14 0.29 -0.67 -0.55 8.43 7.64 1x9jG1 GLY 252 HA2 0.07 0.20 0.38 -0.51 4.01 4.15 1x9jG1 GLY 252 HA3 0.06 -0.03 0.39 -0.51 4.01 3.93 1x9jG1 THR 253 H 0.07 0.45 -0.74 -0.55 8.28 7.51 1x9jG1 THR 253 HA 0.04 0.12 0.47 -0.75 4.39 4.26 1x9jG1 THR 253 HB 0.03 0.12 0.09 -0.04 4.32 4.53 1x9jG1 THR 253 HG23 0.04 0.01 -0.19 -0.04 1.22 1.04 1x9jG1 SER 254 H 0.04 -0.26 0.21 -0.55 8.46 7.90 1x9jG1 SER 254 HA 0.07 0.23 0.48 -0.75 4.49 4.53 1x9jG1 SER 254 HB2 0.06 0.25 -0.05 -0.04 3.95 4.17 1x9jG1 SER 254 HB3 0.04 -0.03 -0.10 -0.04 3.93 3.80 1x9jG1 ASP 255 H 0.03 -0.08 0.17 -0.55 8.40 7.97 1x9jG1 ASP 255 HA 0.03 0.19 0.87 -0.75 4.63 4.97 1x9jG1 ASP 255 HB2 0.01 0.13 0.09 -0.04 2.71 2.90 1x9jG1 ASP 255 HB3 -0.00 -0.03 0.21 -0.04 2.70 2.84 1x9jG1 ALA 256 H 0.04 0.26 0.17 -0.55 8.40 8.32 1x9jG1 ALA 256 HA -0.04 0.13 0.38 -0.75 4.34 4.05 1x9jG1 ALA 256 HB3 0.11 0.03 0.12 -0.04 1.41 1.63 1x9jG1 ARG 257 H -0.01 0.13 -0.05 -0.55 8.46 7.98 1x9jG1 ARG 257 HA -0.05 0.09 0.37 -0.75 4.34 4.00 1x9jG1 ARG 257 HB2 -0.02 -0.02 0.03 -0.04 1.90 1.84 1x9jG1 ARG 257 HB3 -0.02 0.11 0.01 -0.04 1.80 1.86 1x9jG1 ARG 257 HG2 -0.00 -0.01 0.02 -0.04 1.67 1.65 1x9jG1 ARG 257 HG3 -0.00 -0.07 0.06 -0.04 1.67 1.62 1x9jG1 ARG 257 HD2 -0.03 0.02 0.00 -0.04 3.22 3.17 1x9jG1 ARG 257 HD3 -0.02 0.06 -0.00 -0.04 3.22 3.22 1x9jG1 GLU 258 H -0.04 -0.01 -0.50 -0.55 8.60 7.51 1x9jG1 GLU 258 HA -0.03 0.13 0.46 -0.75 4.29 4.09 1x9jG1 GLU 258 HB2 -0.01 -0.03 0.12 -0.04 2.09 2.12 1x9jG1 GLU 258 HB3 -0.02 0.10 0.22 -0.04 1.99 2.26 1x9jG1 GLU 258 HG2 0.00 -0.03 0.04 -0.04 2.34 2.32 1x9jG1 GLU 258 HG3 -0.01 0.03 -0.17 -0.04 2.34 2.15 1x9jG1 VAL 259 H -0.10 0.63 0.03 -0.55 8.24 8.25 1x9jG1 VAL 259 HA -0.10 0.04 0.42 -0.75 4.13 3.74 1x9jG1 VAL 259 HB -0.41 0.10 0.13 -0.04 2.12 1.90 1x9jG1 VAL 259 HG13 -0.24 -0.02 -0.04 -0.04 0.97 0.64 1x9jG1 VAL 259 HG23 -0.04 0.09 -0.04 -0.04 0.95 0.92 1x9jG1 VAL 260 H -0.22 0.53 -0.25 -0.55 8.24 7.75 1x9jG1 VAL 260 HA -0.43 -0.00 0.42 -0.75 4.13 3.36 1x9jG1 VAL 260 HB -0.10 0.15 0.11 -0.04 2.12 2.24 1x9jG1 VAL 260 HG13 -0.02 -0.00 -0.01 -0.04 0.97 0.89 1x9jG1 VAL 260 HG23 -0.23 0.09 -0.05 -0.04 0.95 0.71 1x9jG1 ARG 261 H -0.10 0.41 -0.49 -0.55 8.46 7.74 1x9jG1 ARG 261 HA -0.03 0.06 0.51 -0.75 4.34 4.12 1x9jG1 ARG 261 HB2 -0.03 0.03 0.20 -0.04 1.90 2.05 1x9jG1 ARG 261 HB3 -0.03 0.15 0.16 -0.04 1.80 2.03 1x9jG1 ARG 261 HG2 -0.01 -0.02 0.04 -0.04 1.67 1.64 1x9jG1 ARG 261 HG3 -0.01 -0.01 0.09 -0.04 1.67 1.70 1x9jG1 ARG 261 HD2 -0.01 -0.00 0.02 -0.04 3.22 3.20 1x9jG1 ARG 261 HD3 -0.01 -0.03 0.04 -0.04 3.22 3.18 1x9jG1 ARG 262 H -0.08 0.30 -0.24 -0.55 8.46 7.88 1x9jG1 ARG 262 HA -0.01 0.12 0.67 -0.75 4.34 4.37 1x9jG1 ARG 262 HB2 -0.04 0.10 0.19 -0.04 1.90 2.11 1x9jG1 ARG 262 HB3 0.02 -0.10 0.10 -0.04 1.80 1.77 1x9jG1 ARG 262 HG2 0.00 0.02 0.01 -0.04 1.67 1.67 1x9jG1 ARG 262 HG3 -0.02 0.13 0.07 -0.04 1.67 1.81 1x9jG1 ARG 262 HD2 0.02 -0.04 0.06 -0.04 3.22 3.22 1x9jG1 ARG 262 HD3 0.05 -0.03 0.04 -0.04 3.22 3.24 1x9jG1 ILE 263 H -0.15 0.49 0.05 -0.55 8.25 8.09 1x9jG1 ILE 263 HA -0.04 0.12 0.34 -0.75 4.18 3.85 1x9jG1 ILE 263 HB -0.47 0.02 0.09 -0.04 1.89 1.49 1x9jG1 ILE 263 HG12 -0.10 -0.07 -0.14 -0.04 1.49 1.13 1x9jG1 ILE 263 HG13 -0.25 0.21 0.01 -0.04 1.21 1.14 1x9jG1 ILE 263 HG23 -0.28 0.01 -0.13 -0.04 0.93 0.48 1x9jG1 ILE 263 HD13 -0.42 -0.01 -0.12 -0.04 0.88 0.29 1x9jG1 LYS 264 H -0.07 0.35 -0.32 -0.55 8.42 7.83 1x9jG1 LYS 264 HA 0.10 0.05 0.35 -0.75 4.32 4.08 1x9jG1 LYS 264 HB2 0.01 0.04 0.10 -0.04 1.87 1.98 1x9jG1 LYS 264 HB3 0.05 -0.00 -0.04 -0.04 1.79 1.76 1x9jG1 LYS 264 HG2 0.17 -0.03 0.01 -0.04 1.46 1.58 1x9jG1 LYS 264 HG3 0.07 0.06 0.09 -0.04 1.46 1.63 1x9jG1 LYS 264 HD2 0.03 0.02 -0.03 -0.04 1.69 1.66 1x9jG1 LYS 264 HD3 0.05 -0.01 -0.00 -0.04 1.68 1.68 1x9jG1 LYS 264 HE2 0.17 -0.08 -0.02 -0.04 2.99 3.02 1x9jG1 LYS 264 HE3 0.06 -0.04 -0.03 -0.04 2.99 2.94 1x9jG1 GLN 265 H 0.01 0.22 -0.26 -0.55 8.47 7.89 1x9jG1 GLN 265 HA 0.02 0.02 0.40 -0.75 4.36 4.05 1x9jG1 GLN 265 HB2 0.01 -0.04 0.23 -0.04 2.15 2.31 1x9jG1 GLN 265 HB3 0.02 -0.05 0.05 -0.04 2.02 2.00 1x9jG1 GLN 265 HG2 0.01 -0.05 0.09 -0.04 2.40 2.41 1x9jG1 GLN 265 HG3 0.00 0.34 0.25 -0.04 2.39 2.95 1x9jG1 GLN 265 HE21 0.01 -0.04 0.02 -0.04 6.97 6.91 1x9jG1 GLN 265 HE22 0.01 0.00 0.03 -0.04 7.69 7.69 1x9jG1 GLY 266 H 0.03 0.39 -0.17 -0.55 8.43 8.12 1x9jG1 GLY 266 HA2 0.05 0.10 0.19 -0.51 4.01 3.84 1x9jG1 GLY 266 HA3 0.04 0.12 0.70 -0.51 4.01 4.36 1x9jG1 ASP 267 H 0.03 0.39 0.15 -0.55 8.40 8.43 1x9jG1 ASP 267 HA 0.08 0.02 0.41 -0.75 4.63 4.38 1x9jG1 ASP 267 HB2 0.04 0.10 0.13 -0.04 2.71 2.94 1x9jG1 ASP 267 HB3 0.04 -0.09 -0.13 -0.04 2.70 2.48 1x9jG1 GLU 268 H 0.11 0.19 0.34 -0.55 8.60 8.69 1x9jG1 GLU 268 HA 0.09 0.15 0.48 -0.75 4.29 4.24 1x9jG1 GLU 268 HB2 0.09 0.15 0.20 -0.04 2.09 2.49 1x9jG1 GLU 268 HB3 0.14 -0.05 0.10 -0.04 1.99 2.14 1x9jG1 GLU 268 HG2 0.08 0.03 0.02 -0.04 2.34 2.42 1x9jG1 GLU 268 HG3 0.08 -0.06 -0.03 -0.04 2.34 2.30 1x9jG1 TRP 269 H 0.30 0.12 -0.00 -0.55 7.97 7.84 1x9jG1 TRP 269 HA 0.04 0.12 0.42 -0.75 4.62 4.45 1x9jG1 TRP 269 HB2 0.03 0.06 0.10 -0.04 3.23 3.38 1x9jG1 TRP 269 HB3 0.03 -0.02 0.06 -0.04 3.23 3.26 1x9jG1 TRP 269 HD1 0.06 -0.01 -0.21 -0.04 7.22 7.02 1x9jG1 TRP 269 HE1 0.14 0.10 -0.16 -0.04 10.20 10.23 1x9jG1 TRP 269 HE3 0.04 -0.01 0.02 -0.04 7.59 7.59 1x9jG1 TRP 269 HZ2 0.10 0.05 -0.01 -0.04 7.44 7.54 1x9jG1 TRP 269 HZ3 0.04 0.02 -0.00 -0.04 7.13 7.15 1x9jG1 TRP 269 HH2 0.07 0.03 -0.01 -0.04 7.19 7.24 1x9jG1 ALA 270 H 0.16 0.10 -0.42 -0.55 8.40 7.70 1x9jG1 ALA 270 HA -0.03 0.07 0.42 -0.75 4.34 4.05 1x9jG1 ALA 270 HB3 0.03 0.05 0.02 -0.04 1.41 1.47 1x9jG1 LYS 271 H 0.03 0.41 -0.20 -0.55 8.42 8.11 1x9jG1 LYS 271 HA 0.13 -0.04 0.36 -0.75 4.32 4.02 1x9jG1 LYS 271 HB2 0.08 0.06 0.10 -0.04 1.87 2.07 1x9jG1 LYS 271 HB3 0.07 0.16 0.11 -0.04 1.79 2.08 1x9jG1 LYS 271 HG2 0.11 -0.00 -0.15 -0.04 1.46 1.38 1x9jG1 LYS 271 HG3 0.40 -0.08 0.04 -0.04 1.46 1.78 1x9jG1 LYS 271 HD2 0.21 0.06 -0.02 -0.04 1.69 1.89 1x9jG1 LYS 271 HD3 0.13 0.02 -0.03 -0.04 1.68 1.76 1x9jG1 LYS 271 HE2 0.19 -0.01 -0.04 -0.04 2.99 3.09 1x9jG1 LYS 271 HE3 0.57 -0.04 -0.03 -0.04 2.99 3.45 1x9jG1 ARG 272 H -0.09 0.30 -0.51 -0.55 8.46 7.60 1x9jG1 ARG 272 HA -0.15 0.07 0.41 -0.75 4.34 3.92 1x9jG1 ARG 272 HB2 -0.12 0.07 0.10 -0.04 1.90 1.90 1x9jG1 ARG 272 HB3 -0.46 0.12 0.20 -0.04 1.80 1.62 1x9jG1 ARG 272 HG2 -0.32 -0.02 -0.23 -0.04 1.67 1.06 1x9jG1 ARG 272 HG3 -0.17 -0.00 -0.02 -0.04 1.67 1.44 1x9jG1 ARG 272 HD2 -0.04 -0.00 -0.01 -0.04 3.22 3.13 1x9jG1 ARG 272 HD3 -0.55 -0.00 0.01 -0.04 3.22 2.64 1x9jG1 VAL 273 H -0.46 0.47 0.05 -0.55 8.24 7.75 1x9jG1 VAL 273 HA -0.31 0.06 0.36 -0.75 4.13 3.49 1x9jG1 VAL 273 HB -0.23 0.01 0.10 -0.04 2.12 1.96 1x9jG1 VAL 273 HG13 -0.54 -0.01 -0.09 -0.04 0.97 0.28 1x9jG1 VAL 273 HG23 -0.74 0.06 0.06 -0.04 0.95 0.29 1x9jG1 TYR 274 H 0.09 0.58 -0.22 -0.55 8.29 8.19 1x9jG1 TYR 274 HA 0.07 -0.00 0.43 -0.75 4.56 4.30 1x9jG1 TYR 274 HB2 0.02 0.08 0.08 -0.04 3.06 3.20 1x9jG1 TYR 274 HB3 0.16 0.09 0.05 -0.04 2.98 3.23 1x9jG1 TYR 274 HD2 0.15 0.06 -0.06 -0.04 7.15 7.25 1x9jG1 TYR 274 HE2 -0.04 -0.11 0.00 -0.04 6.85 6.67 1x9jG1 ARG 275 H 0.07 0.58 -0.17 -0.55 8.46 8.38 1x9jG1 ARG 275 HA -0.37 -0.05 0.40 -0.75 4.34 3.56 1x9jG1 ARG 275 HB2 -0.69 0.06 0.18 -0.04 1.90 1.41 1x9jG1 ARG 275 HB3 -0.34 0.17 0.19 -0.04 1.80 1.77 1x9jG1 ARG 275 HG2 -0.58 -0.01 -0.08 -0.04 1.67 0.95 1x9jG1 ARG 275 HG3 -1.56 -0.07 0.07 -0.04 1.67 0.06 1x9jG1 ARG 275 HD2 -0.92 -0.02 -0.00 -0.04 3.22 2.24 1x9jG1 ARG 275 HD3 -0.41 0.03 -0.02 -0.04 3.22 2.77 1x9jG1 ALA 276 H -0.07 0.36 -0.53 -0.55 8.40 7.61 1x9jG1 ALA 276 HA -0.04 0.05 0.51 -0.75 4.34 4.11 1x9jG1 ALA 276 HB3 0.04 0.06 0.08 -0.04 1.41 1.55 1x9jG1 MET 277 H -0.04 0.41 -0.16 -0.55 8.47 8.13 1x9jG1 MET 277 HA -0.89 0.05 0.52 -0.75 4.52 3.45 1x9jG1 MET 277 HB2 -0.38 0.03 0.13 -0.04 2.15 1.88 1x9jG1 MET 277 HB3 -0.29 0.09 0.18 -0.04 2.03 1.97 1x9jG1 MET 277 HG2 -0.35 -0.10 -0.17 -0.04 2.63 1.98 1x9jG1 MET 277 HG3 -0.82 0.31 0.11 -0.04 2.56 2.12 1x9jG1 MET 277 HE3 -0.13 -0.02 -0.04 -0.04 2.10 1.86 1x9jG1 ALA 278 H -0.11 0.40 -0.16 -0.55 8.40 8.00 1x9jG1 ALA 278 HA -0.05 -0.00 0.38 -0.75 4.34 3.91 1x9jG1 ALA 278 HB3 0.16 0.03 0.03 -0.04 1.41 1.59 1x9jG1 TYR 279 H 0.07 0.38 -0.33 -0.55 8.29 7.85 1x9jG1 TYR 279 HA -0.02 0.04 0.33 -0.75 4.56 4.16 1x9jG1 TYR 279 HB2 -0.11 0.15 0.17 -0.04 3.06 3.23 1x9jG1 TYR 279 HB3 -0.04 0.20 0.20 -0.04 2.98 3.30 1x9jG1 TYR 279 HD2 -0.01 0.02 -0.01 -0.04 7.15 7.11 1x9jG1 TYR 279 HE2 -0.01 0.00 -0.03 -0.04 6.85 6.78 1x9jG1 GLN 280 H 0.08 0.52 -0.18 -0.55 8.47 8.34 1x9jG1 GLN 280 HA 0.17 0.03 0.44 -0.75 4.36 4.24 1x9jG1 GLN 280 HB2 -0.13 0.12 0.21 -0.04 2.15 2.31 1x9jG1 GLN 280 HB3 0.07 -0.10 0.04 -0.04 2.02 1.98 1x9jG1 GLN 280 HG2 0.41 -0.02 0.05 -0.04 2.40 2.80 1x9jG1 GLN 280 HG3 0.28 0.14 0.10 -0.04 2.39 2.87 1x9jG1 GLN 280 HE21 0.58 0.04 0.05 -0.04 6.97 7.60 1x9jG1 GLN 280 HE22 0.44 0.03 0.02 -0.04 7.69 8.13 1x9jG1 ILE 281 H -0.06 0.54 -0.18 -0.55 8.25 8.01 1x9jG1 ILE 281 HA 0.01 -0.04 0.34 -0.75 4.18 3.73 1x9jG1 ILE 281 HB -0.03 0.13 0.12 -0.04 1.89 2.07 1x9jG1 ILE 281 HG12 -0.14 -0.08 -0.05 -0.04 1.49 1.17 1x9jG1 ILE 281 HG13 -0.19 0.31 0.07 -0.04 1.21 1.36 1x9jG1 ILE 281 HG23 -0.02 -0.03 -0.17 -0.04 0.93 0.67 1x9jG1 ILE 281 HD13 -0.12 -0.04 -0.11 -0.04 0.88 0.56 1x9jG1 ALA 282 H 0.02 0.62 -0.25 -0.55 8.40 8.24 1x9jG1 ALA 282 HA 0.03 -0.01 0.39 -0.75 4.34 3.99 1x9jG1 ALA 282 HB3 0.01 0.05 0.07 -0.04 1.41 1.49 1x9jG1 LYS 283 H -0.06 0.53 -0.08 -0.55 8.42 8.25 1x9jG1 LYS 283 HA -0.12 0.03 0.37 -0.75 4.32 3.85 1x9jG1 LYS 283 HB2 -0.05 0.11 0.17 -0.04 1.87 2.06 1x9jG1 LYS 283 HB3 -0.36 -0.05 0.00 -0.04 1.79 1.34 1x9jG1 LYS 283 HG2 -0.34 -0.03 0.03 -0.04 1.46 1.08 1x9jG1 LYS 283 HG3 -0.53 0.17 0.08 -0.04 1.46 1.14 1x9jG1 LYS 283 HD2 -0.90 -0.02 -0.06 -0.04 1.69 0.66 1x9jG1 LYS 283 HD3 -0.30 -0.04 -0.08 -0.04 1.68 1.22 1x9jG1 LYS 283 HE2 -0.32 -0.01 -0.03 -0.04 2.99 2.59 1x9jG1 LYS 283 HE3 -0.21 0.00 -0.02 -0.04 2.99 2.72 1x9jG1 TRP 284 H 0.41 0.50 -0.25 -0.55 7.97 8.08 1x9jG1 TRP 284 HA -0.03 0.06 0.56 -0.75 4.62 4.45 1x9jG1 TRP 284 HB2 -0.04 0.13 0.11 -0.04 3.23 3.38 1x9jG1 TRP 284 HB3 -0.03 -0.05 -0.02 -0.04 3.23 3.09 1x9jG1 TRP 284 HD1 -0.01 0.00 0.01 -0.04 7.22 7.18 1x9jG1 TRP 284 HE1 0.00 0.01 -0.02 -0.04 10.20 10.15 1x9jG1 TRP 284 HE3 -0.07 0.62 0.08 -0.04 7.59 8.18 1x9jG1 TRP 284 HZ2 0.01 -0.01 -0.06 -0.04 7.44 7.35 1x9jG1 TRP 284 HZ3 -0.02 -0.03 -0.01 -0.04 7.13 7.03 1x9jG1 TRP 284 HH2 0.03 0.04 -0.10 -0.04 7.19 7.12 1x9jG1 ILE 285 H 0.12 0.48 -0.22 -0.55 8.25 8.08 1x9jG1 ILE 285 HA 0.05 -0.01 0.37 -0.75 4.18 3.84 1x9jG1 ILE 285 HB 0.01 0.19 0.16 -0.04 1.89 2.21 1x9jG1 ILE 285 HG12 0.03 -0.08 -0.09 -0.04 1.49 1.30 1x9jG1 ILE 285 HG13 0.06 0.30 0.04 -0.04 1.21 1.56 1x9jG1 ILE 285 HG23 -0.04 -0.01 -0.17 -0.04 0.93 0.67 1x9jG1 ILE 285 HD13 0.01 -0.03 -0.14 -0.04 0.88 0.68 1x9jG1 GLY 286 H 0.00 0.58 -0.16 -0.55 8.43 8.31 1x9jG1 GLY 286 HA2 -0.04 0.03 0.35 -0.51 4.01 3.85 1x9jG1 GLY 286 HA3 0.01 0.10 0.25 -0.51 4.01 3.86 1x9jG1 LYS 287 H -0.06 0.20 -0.53 -0.55 8.42 7.48 1x9jG1 LYS 287 HA -0.10 0.03 0.41 -0.75 4.32 3.91 1x9jG1 LYS 287 HB2 -0.34 0.12 0.18 -0.04 1.87 1.79 1x9jG1 LYS 287 HB3 -0.07 0.14 0.18 -0.04 1.79 2.00 1x9jG1 LYS 287 HG2 -0.08 -0.02 -0.12 -0.04 1.46 1.20 1x9jG1 LYS 287 HG3 -0.20 -0.01 0.02 -0.04 1.46 1.23 1x9jG1 LYS 287 HD2 -0.84 -0.01 -0.03 -0.04 1.69 0.77 1x9jG1 LYS 287 HD3 -0.28 -0.03 -0.02 -0.04 1.68 1.31 1x9jG1 LYS 287 HE2 -0.04 0.02 -0.05 -0.04 2.99 2.88 1x9jG1 LYS 287 HE3 -0.18 0.01 -0.03 -0.04 2.99 2.75 1x9jG1 MET 288 H 0.02 0.63 -0.14 -0.55 8.47 8.44 1x9jG1 MET 288 HA 0.01 0.01 0.36 -0.75 4.52 4.15 1x9jG1 MET 288 HB2 0.03 0.13 -0.00 -0.04 2.15 2.27 1x9jG1 MET 288 HB3 0.03 -0.07 -0.15 -0.04 2.03 1.79 1x9jG1 MET 288 HG2 0.11 0.12 -0.07 -0.04 2.63 2.75 1x9jG1 MET 288 HG3 0.06 -0.07 -0.43 -0.04 2.56 2.08 1x9jG1 MET 288 HE3 0.11 -0.01 -0.15 -0.04 2.10 2.00 1x9jG1 ALA 289 H -0.02 0.43 -0.45 -0.55 8.40 7.81 1x9jG1 ALA 289 HA -0.04 0.02 0.27 -0.75 4.34 3.84 1x9jG1 ALA 289 HB3 -0.07 0.07 0.02 -0.04 1.41 1.39 1x9jG1 ALA 290 H -0.02 0.46 -0.35 -0.55 8.40 7.95 1x9jG1 ALA 290 HA -0.01 0.01 0.39 -0.75 4.34 3.98 1x9jG1 ALA 290 HB3 -0.02 0.05 0.08 -0.04 1.41 1.48 1x9jG1 VAL 291 H -0.01 0.27 -0.37 -0.55 8.24 7.57 1x9jG1 VAL 291 HA -0.00 0.03 0.39 -0.75 4.13 3.79 1x9jG1 VAL 291 HB 0.00 0.21 0.10 -0.04 2.12 2.39 1x9jG1 VAL 291 HG13 0.00 -0.03 -0.11 -0.04 0.97 0.79 1x9jG1 VAL 291 HG23 0.00 0.03 0.01 -0.04 0.95 0.95 1x9jG1 LEU 292 H -0.01 0.35 -0.38 -0.55 8.37 7.79 1x9jG1 LEU 292 HA -0.01 0.10 0.56 -0.75 4.35 4.25 1x9jG1 LEU 292 HB2 -0.02 0.04 -0.12 -0.04 1.64 1.50 1x9jG1 LEU 292 HB3 -0.01 0.12 0.01 -0.04 1.64 1.72 1x9jG1 LEU 292 HG 0.01 0.02 -0.13 -0.04 1.64 1.49 1x9jG1 LEU 292 HD13 0.01 0.00 -0.21 -0.04 0.93 0.69 1x9jG1 LEU 292 HD23 0.01 -0.01 -0.20 -0.04 0.89 0.65 1x9jG1 LYS 293 H -0.01 0.37 -0.74 -0.55 8.42 7.48 1x9jG1 LYS 293 HA -0.00 0.07 0.30 -0.75 4.32 3.93 1x9jG1 LYS 293 HB2 -0.01 0.11 -0.01 -0.04 1.87 1.92 1x9jG1 LYS 293 HB3 -0.00 -0.06 0.20 -0.04 1.79 1.88 1x9jG1 LYS 293 HG2 -0.00 0.01 0.01 -0.04 1.46 1.43 1x9jG1 LYS 293 HG3 -0.00 0.10 -0.27 -0.04 1.46 1.25 1x9jG1 LYS 293 HD2 -0.00 0.00 -0.06 -0.04 1.69 1.58 1x9jG1 LYS 293 HD3 -0.00 -0.05 -0.00 -0.04 1.68 1.59 1x9jG1 LYS 293 HE2 -0.00 -0.02 -0.00 -0.04 2.99 2.93 1x9jG1 LYS 293 HE3 -0.00 0.07 -0.02 -0.04 2.99 3.00 1x9jG1 GLY 294 H -0.02 0.46 -0.32 -0.55 8.43 8.01 1x9jG1 GLY 294 HA2 -0.03 -0.01 0.25 -0.51 4.01 3.71 1x9jG1 GLY 294 HA3 -0.01 0.10 0.52 -0.51 4.01 4.11 1x9jG1 GLU 295 H -0.02 0.43 -0.72 -0.55 8.60 7.74 1x9jG1 GLU 295 HA -0.03 0.03 0.38 -0.75 4.29 3.92 1x9jG1 GLU 295 HB2 -0.02 0.11 0.24 -0.04 2.09 2.38 1x9jG1 GLU 295 HB3 -0.02 -0.11 0.11 -0.04 1.99 1.93 1x9jG1 GLU 295 HG2 -0.01 0.14 0.02 -0.04 2.34 2.45 1x9jG1 GLU 295 HG3 -0.01 -0.07 0.05 -0.04 2.34 2.26 1x9jG1 VAL 296 H -0.06 0.64 0.29 -0.55 8.24 8.56 1x9jG1 VAL 296 HA -0.04 0.10 0.89 -0.75 4.13 4.32 1x9jG1 VAL 296 HB -0.09 0.18 -0.11 -0.04 2.12 2.06 1x9jG1 VAL 296 HG13 -0.06 -0.06 -0.37 -0.04 0.97 0.45 1x9jG1 VAL 296 HG23 -0.05 -0.05 -0.49 -0.04 0.95 0.33 1x9jG1 ASP 297 H -0.03 0.54 0.29 -0.55 8.40 8.65 1x9jG1 ASP 297 HA -0.25 0.09 0.59 -0.75 4.63 4.30 1x9jG1 ASP 297 HB2 0.14 0.04 0.23 -0.04 2.71 3.08 1x9jG1 ASP 297 HB3 0.09 -0.01 0.02 -0.04 2.70 2.75 1x9jG1 PHE 298 H 0.09 0.20 0.20 -0.55 8.34 8.28 1x9jG1 PHE 298 HA -0.03 0.33 0.63 -0.75 4.62 4.80 1x9jG1 PHE 298 HB2 -0.03 -0.14 -0.14 -0.04 3.15 2.80 1x9jG1 PHE 298 HB3 -0.01 0.01 -0.06 -0.04 3.06 2.96 1x9jG1 PHE 298 HD2 0.00 -0.05 -0.20 -0.04 7.28 6.99 1x9jG1 PHE 298 HE2 0.01 -0.03 -0.08 -0.04 7.38 7.24 1x9jG1 PHE 298 HZ 0.02 -0.01 -0.05 -0.04 7.32 7.23 1x9jG1 ILE 299 H 0.12 0.69 0.17 -0.55 8.25 8.69 1x9jG1 ILE 299 HA -0.00 0.15 0.92 -0.75 4.18 4.49 1x9jG1 ILE 299 HB 0.00 0.04 0.02 -0.04 1.89 1.90 1x9jG1 ILE 299 HG12 -0.05 -0.01 -0.10 -0.04 1.49 1.28 1x9jG1 ILE 299 HG13 -0.06 0.01 -0.37 -0.04 1.21 0.75 1x9jG1 ILE 299 HG23 -0.01 -0.02 -0.18 -0.04 0.93 0.68 1x9jG1 ILE 299 HD13 -0.12 0.01 -0.13 -0.04 0.88 0.59 1x9jG1 VAL 300 H -0.04 0.48 0.18 -0.55 8.24 8.31 1x9jG1 VAL 300 HA -0.01 0.31 1.06 -0.75 4.13 4.74 1x9jG1 VAL 300 HB -0.16 -0.12 0.03 -0.04 2.12 1.84 1x9jG1 VAL 300 HG13 -0.29 -0.02 -0.31 -0.04 0.97 0.30 1x9jG1 VAL 300 HG23 -0.16 0.02 -0.25 -0.04 0.95 0.52 1x9jG1 LEU 301 H 0.02 0.77 0.35 -0.55 8.37 8.97 1x9jG1 LEU 301 HA -0.03 0.15 0.96 -0.75 4.35 4.67 1x9jG1 LEU 301 HB2 0.01 0.02 0.21 -0.04 1.64 1.84 1x9jG1 LEU 301 HB3 -0.03 -0.04 0.04 -0.04 1.64 1.57 1x9jG1 LEU 301 HG 0.01 0.07 -0.14 -0.04 1.64 1.53 1x9jG1 LEU 301 HD13 0.01 -0.01 -0.06 -0.04 0.93 0.82 1x9jG1 LEU 301 HD23 -0.01 0.00 -0.11 -0.04 0.89 0.74 1x9jG1 THR 302 H -0.07 0.53 0.24 -0.55 8.28 8.43 1x9jG1 THR 302 HA -0.05 0.34 0.85 -0.75 4.39 4.78 1x9jG1 THR 302 HB -0.06 -0.01 -0.14 -0.04 4.32 4.07 1x9jG1 THR 302 HG23 -0.01 -0.04 -0.24 -0.04 1.22 0.89 1x9jG1 GLY 303 H -0.16 0.68 0.25 -0.55 8.43 8.65 1x9jG1 GLY 303 HA2 -0.55 -0.02 0.25 -0.51 4.01 3.18 1x9jG1 GLY 303 HA3 -0.73 0.03 0.76 -0.51 4.01 3.56 1x9jG1 GLY 304 H -0.19 0.09 0.16 -0.55 8.43 7.95 1x9jG1 GLY 304 HA2 0.05 0.06 0.49 -0.51 4.01 4.10 1x9jG1 GLY 304 HA3 0.02 0.01 0.45 -0.51 4.01 3.98 1x9jG1 LEU 305 H -0.08 0.78 0.21 -0.55 8.37 8.73 1x9jG1 LEU 305 HA 0.04 -0.05 0.46 -0.75 4.35 4.04 1x9jG1 LEU 305 HB2 -0.07 0.11 0.04 -0.04 1.64 1.68 1x9jG1 LEU 305 HB3 -0.00 -0.02 0.05 -0.04 1.64 1.63 1x9jG1 LEU 305 HG -0.01 -0.02 -0.09 -0.04 1.64 1.47 1x9jG1 LEU 305 HD13 -0.03 0.01 -0.11 -0.04 0.93 0.76 1x9jG1 LEU 305 HD23 0.08 -0.02 0.02 -0.04 0.89 0.93 1x9jG1 ALA 306 H -0.14 0.22 -0.71 -0.55 8.40 7.23 1x9jG1 ALA 306 HA -0.07 0.06 0.17 -0.75 4.34 3.75 1x9jG1 ALA 306 HB3 -0.16 0.02 -0.21 -0.04 1.41 1.02 1x9jG1 HIS 307 H -0.03 0.30 -0.64 -0.55 8.41 7.49 1x9jG1 HIS 307 HA -0.01 0.13 0.46 -0.75 4.63 4.45 1x9jG1 HIS 307 HB2 -0.00 0.02 0.14 -0.04 3.26 3.38 1x9jG1 HIS 307 HB3 -0.01 -0.04 -0.01 -0.04 3.20 3.10 1x9jG1 HIS 307 HD2 -0.01 0.01 0.17 -0.04 6.97 7.09 1x9jG1 HIS 307 HE1 -0.01 0.09 -0.14 -0.04 7.75 7.64 1x9jG1 GLU 308 H 0.09 0.27 -0.04 -0.55 8.60 8.38 1x9jG1 GLU 308 HA 0.07 0.01 0.45 -0.75 4.29 4.07 1x9jG1 GLU 308 HB2 0.11 -0.02 0.19 -0.04 2.09 2.34 1x9jG1 GLU 308 HB3 0.12 -0.00 0.27 -0.04 1.99 2.33 1x9jG1 GLU 308 HG2 0.08 0.06 0.02 -0.04 2.34 2.46 1x9jG1 GLU 308 HG3 0.19 -0.00 0.01 -0.04 2.34 2.49 1x9jG1 LYS 309 H 0.02 0.31 0.33 -0.55 8.42 8.53 1x9jG1 LYS 309 HA -0.03 0.11 0.67 -0.75 4.32 4.31 1x9jG1 LYS 309 HB2 -0.02 -0.01 0.10 -0.04 1.87 1.90 1x9jG1 LYS 309 HB3 -0.03 0.02 0.15 -0.04 1.79 1.88 1x9jG1 LYS 309 HG2 -0.01 0.00 -0.02 -0.04 1.46 1.39 1x9jG1 LYS 309 HG3 0.01 0.04 -0.31 -0.04 1.46 1.16 1x9jG1 LYS 309 HD2 0.02 -0.04 0.12 -0.04 1.69 1.75 1x9jG1 LYS 309 HD3 -0.00 -0.04 0.05 -0.04 1.68 1.65 1x9jG1 LYS 309 HE2 0.01 0.01 0.04 -0.04 2.99 3.00 1x9jG1 LYS 309 HE3 0.07 -0.02 0.21 -0.04 2.99 3.22 1x9jG1 GLU 310 H -0.01 -0.09 -0.24 -0.55 8.60 7.71 1x9jG1 GLU 310 HA -0.24 0.28 0.80 -0.75 4.29 4.37 1x9jG1 GLU 310 HB2 0.14 -0.13 0.05 -0.04 2.09 2.11 1x9jG1 GLU 310 HB3 -0.41 0.08 -0.00 -0.04 1.99 1.62 1x9jG1 GLU 310 HG2 -0.08 0.11 -0.05 -0.04 2.34 2.27 1x9jG1 GLU 310 HG3 -0.00 -0.11 -0.02 -0.04 2.34 2.16 1x9jG1 PHE 311 H 0.02 -0.12 -0.08 -0.55 8.34 7.61 1x9jG1 PHE 311 HA -1.00 0.34 0.94 -0.75 4.62 4.15 1x9jG1 PHE 311 HB2 -0.30 -0.18 0.10 -0.04 3.15 2.73 1x9jG1 PHE 311 HB3 -2.15 0.07 -0.04 -0.04 3.06 0.90 1x9jG1 PHE 311 HD2 -0.33 -0.07 -0.07 -0.04 7.28 6.78 1x9jG1 PHE 311 HE2 -0.01 0.04 -0.07 -0.04 7.38 7.29 1x9jG1 PHE 311 HZ -0.03 0.06 -0.11 -0.04 7.32 7.21 1x9jG1 LEU 312 H 0.06 0.02 0.07 -0.55 8.37 7.98 1x9jG1 LEU 312 HA 0.06 0.04 0.31 -0.75 4.35 4.01 1x9jG1 LEU 312 HB2 0.02 -0.08 0.15 -0.04 1.64 1.68 1x9jG1 LEU 312 HB3 0.03 0.16 0.21 -0.04 1.64 1.99 1x9jG1 LEU 312 HG -0.03 0.06 -0.22 -0.04 1.64 1.41 1x9jG1 LEU 312 HD13 -0.21 -0.00 -0.04 -0.04 0.93 0.64 1x9jG1 LEU 312 HD23 -0.02 0.03 -0.03 -0.04 0.89 0.83 1x9jG1 VAL 313 H -0.02 0.42 0.00 -0.55 8.24 8.09 1x9jG1 VAL 313 HA 0.01 -0.02 0.30 -0.75 4.13 3.66 1x9jG1 VAL 313 HB -0.03 0.01 0.02 -0.04 2.12 2.08 1x9jG1 VAL 313 HG13 -0.01 0.00 -0.16 -0.04 0.97 0.76 1x9jG1 VAL 313 HG23 -0.01 0.07 -0.10 -0.04 0.95 0.87 1x9jG1 PRO 314 HA 0.00 0.04 0.38 -0.51 4.44 4.35 1x9jG1 PRO 314 HB2 -0.25 0.08 -0.06 -0.04 2.28 2.01 1x9jG1 PRO 314 HB3 -0.09 0.02 -0.01 -0.04 2.02 1.90 1x9jG1 PRO 314 HG2 -0.23 0.17 -0.41 -0.04 2.03 1.51 1x9jG1 PRO 314 HG3 -0.10 0.06 -0.11 -0.04 2.03 1.84 1x9jG1 PRO 314 HD2 -0.22 -0.05 -0.93 -0.04 3.68 2.44 1x9jG1 PRO 314 HD3 -0.09 -0.00 -0.25 -0.04 3.65 3.27 1x9jG1 TRP 315 H 0.01 0.78 -0.11 -0.55 7.97 8.11 1x9jG1 TRP 315 HA 0.04 0.02 0.34 -0.75 4.62 4.26 1x9jG1 TRP 315 HB2 0.02 0.07 0.09 -0.04 3.23 3.37 1x9jG1 TRP 315 HB3 0.04 -0.05 -0.08 -0.04 3.23 3.10 1x9jG1 TRP 315 HD1 0.04 0.01 -0.05 -0.04 7.22 7.18 1x9jG1 TRP 315 HE1 0.09 0.01 -0.02 -0.04 10.20 10.25 1x9jG1 TRP 315 HE3 -0.04 -0.02 -0.15 -0.04 7.59 7.34 1x9jG1 TRP 315 HZ2 0.33 0.03 -0.02 -0.04 7.44 7.74 1x9jG1 TRP 315 HZ3 0.15 -0.09 -0.28 -0.04 7.13 6.87 1x9jG1 TRP 315 HH2 0.18 -0.01 -0.00 -0.04 7.19 7.32 1x9jG1 ILE 316 H 0.19 0.57 -0.11 -0.55 8.25 8.35 1x9jG1 ILE 316 HA 0.11 0.04 0.36 -0.75 4.18 3.93 1x9jG1 ILE 316 HB 0.05 0.07 0.09 -0.04 1.89 2.06 1x9jG1 ILE 316 HG12 0.06 0.04 0.02 -0.04 1.49 1.57 1x9jG1 ILE 316 HG13 0.11 0.25 0.05 -0.04 1.21 1.57 1x9jG1 ILE 316 HG23 0.03 -0.02 -0.18 -0.04 0.93 0.72 1x9jG1 ILE 316 HD13 -0.01 -0.04 -0.13 -0.04 0.88 0.66 1x9jG1 THR 317 H 0.07 0.66 -0.02 -0.55 8.28 8.44 1x9jG1 THR 317 HA 0.04 -0.04 0.35 -0.75 4.39 3.99 1x9jG1 THR 317 HB 0.05 0.11 0.12 -0.04 4.32 4.56 1x9jG1 THR 317 HG23 0.04 -0.02 -0.04 -0.04 1.22 1.16 1x9jG1 LYS 318 H 0.11 0.57 -0.29 -0.55 8.42 8.25 1x9jG1 LYS 318 HA 0.08 0.00 0.40 -0.75 4.32 4.05 1x9jG1 LYS 318 HB2 0.15 0.15 0.07 -0.04 1.87 2.20 1x9jG1 LYS 318 HB3 0.10 -0.07 0.07 -0.04 1.79 1.85 1x9jG1 LYS 318 HG2 0.08 -0.08 0.02 -0.04 1.46 1.45 1x9jG1 LYS 318 HG3 0.10 0.29 0.09 -0.04 1.46 1.91 1x9jG1 LYS 318 HD2 0.25 -0.01 -0.11 -0.04 1.69 1.77 1x9jG1 LYS 318 HD3 0.13 -0.05 -0.02 -0.04 1.68 1.69 1x9jG1 LYS 318 HE2 0.06 -0.03 -0.03 -0.04 2.99 2.95 1x9jG1 LYS 318 HE3 0.07 -0.02 -0.11 -0.04 2.99 2.89 1x9jG1 ARG 319 H 0.11 0.50 -0.40 -0.55 8.46 8.12 1x9jG1 ARG 319 HA 0.13 0.17 0.90 -0.75 4.34 4.78 1x9jG1 ARG 319 HB2 0.09 0.02 0.07 -0.04 1.90 2.04 1x9jG1 ARG 319 HB3 0.09 -0.07 0.08 -0.04 1.80 1.86 1x9jG1 ARG 319 HG2 0.09 -0.05 -0.10 -0.04 1.67 1.58 1x9jG1 ARG 319 HG3 0.12 0.38 0.06 -0.04 1.67 2.19 1x9jG1 ARG 319 HD2 0.10 -0.04 -0.10 -0.04 3.22 3.14 1x9jG1 ARG 319 HD3 0.08 -0.04 -0.05 -0.04 3.22 3.17 1x9jG1 VAL 320 H 0.08 0.31 0.04 -0.55 8.24 8.12 1x9jG1 VAL 320 HA 0.01 0.24 1.07 -0.75 4.13 4.70 1x9jG1 VAL 320 HB -0.12 -0.04 0.04 -0.04 2.12 1.97 1x9jG1 VAL 320 HG13 0.02 0.01 -0.10 -0.04 0.97 0.85 1x9jG1 VAL 320 HG23 -0.00 0.06 -0.15 -0.04 0.95 0.83 1x9jG1 SER 321 H 0.06 0.51 0.10 -0.55 8.46 8.58 1x9jG1 SER 321 HA -0.04 0.21 0.38 -0.75 4.49 4.28 1x9jG1 SER 321 HB2 0.03 -0.06 0.11 -0.04 3.95 3.99 1x9jG1 SER 321 HB3 0.04 0.02 0.17 -0.04 3.93 4.12 1x9jG1 PHE 322 H 0.10 0.05 -0.87 -0.55 8.34 7.07 1x9jG1 PHE 322 HA -0.01 0.09 0.43 -0.75 4.62 4.38 1x9jG1 PHE 322 HB2 -0.01 -0.01 0.02 -0.04 3.15 3.11 1x9jG1 PHE 322 HB3 -0.00 -0.02 -0.06 -0.04 3.06 2.94 1x9jG1 PHE 322 HD2 -0.01 0.01 -0.22 -0.04 7.28 7.03 1x9jG1 PHE 322 HE2 -0.02 0.06 0.01 -0.04 7.38 7.39 1x9jG1 PHE 322 HZ -0.03 -0.05 -0.02 -0.04 7.32 7.18 1x9jG1 ILE 323 H -0.65 0.53 -0.13 -0.55 8.25 7.45 1x9jG1 ILE 323 HA -0.36 0.06 0.55 -0.75 4.18 3.68 1x9jG1 ILE 323 HB -0.37 0.08 0.07 -0.04 1.89 1.63 1x9jG1 ILE 323 HG12 -0.82 -0.02 -0.03 -0.04 1.49 0.57 1x9jG1 ILE 323 HG13 -1.97 -0.04 0.03 -0.04 1.21 -0.81 1x9jG1 ILE 323 HG23 -0.19 -0.02 -0.16 -0.04 0.93 0.52 1x9jG1 ILE 323 HD13 -0.29 -0.03 -0.05 -0.04 0.88 0.46 1x9jG1 ALA 324 H -0.18 0.24 -0.08 -0.55 8.40 7.84 1x9jG1 ALA 324 HA -0.13 0.11 0.32 -0.75 4.34 3.89 1x9jG1 ALA 324 HB3 -0.16 0.09 -0.29 -0.04 1.41 1.01 1x9jG1 PRO 325 HA 0.02 0.02 0.52 -0.51 4.44 4.48 1x9jG1 PRO 325 HB2 0.16 -0.00 -0.01 -0.04 2.28 2.39 1x9jG1 PRO 325 HB3 0.02 0.01 0.13 -0.04 2.02 2.15 1x9jG1 PRO 325 HG2 -0.27 -0.00 0.18 -0.04 2.03 1.90 1x9jG1 PRO 325 HG3 -0.22 0.02 0.12 -0.04 2.03 1.91 1x9jG1 PRO 325 HD2 -0.30 0.32 0.27 -0.04 3.68 3.93 1x9jG1 PRO 325 HD3 -0.14 0.10 0.18 -0.04 3.65 3.75 1x9jG1 VAL 326 H 0.06 0.11 0.23 -0.55 8.24 8.09 1x9jG1 VAL 326 HA 0.08 0.26 1.03 -0.75 4.13 4.75 1x9jG1 VAL 326 HB 0.04 -0.05 0.17 -0.04 2.12 2.24 1x9jG1 VAL 326 HG13 0.03 -0.01 -0.15 -0.04 0.97 0.80 1x9jG1 VAL 326 HG23 0.01 0.00 -0.01 -0.04 0.95 0.91 1x9jG1 LEU 327 H 0.10 0.62 0.37 -0.55 8.37 8.91 1x9jG1 LEU 327 HA 0.09 0.17 0.86 -0.75 4.35 4.71 1x9jG1 LEU 327 HB2 0.10 -0.08 -0.01 -0.04 1.64 1.61 1x9jG1 LEU 327 HB3 0.31 -0.01 -0.03 -0.04 1.64 1.87 1x9jG1 LEU 327 HG 0.17 0.04 -0.22 -0.04 1.64 1.59 1x9jG1 LEU 327 HD13 -0.46 -0.00 -0.13 -0.04 0.93 0.29 1x9jG1 LEU 327 HD23 0.03 0.04 -0.12 -0.04 0.89 0.80 1x9jG1 VAL 328 H 0.08 0.23 0.13 -0.55 8.24 8.12 1x9jG1 VAL 328 HA 0.14 0.21 1.18 -0.75 4.13 4.91 1x9jG1 VAL 328 HB -0.01 -0.01 0.13 -0.04 2.12 2.19 1x9jG1 VAL 328 HG13 -0.02 0.02 -0.10 -0.04 0.97 0.83 1x9jG1 VAL 328 HG23 0.02 0.00 -0.23 -0.04 0.95 0.70 1x9jG1 PHE 329 H 0.27 0.42 0.07 -0.55 8.34 8.55 1x9jG1 PHE 329 HA -0.06 0.20 0.80 -0.75 4.62 4.81 1x9jG1 PHE 329 HB2 -0.06 -0.09 0.09 -0.04 3.15 3.05 1x9jG1 PHE 329 HB3 -0.05 -0.02 0.01 -0.04 3.06 2.96 1x9jG1 PHE 329 HD2 -0.05 -0.12 -0.33 -0.04 7.28 6.74 1x9jG1 PHE 329 HE2 -0.08 -0.00 -0.20 -0.04 7.38 7.06 1x9jG1 PHE 329 HZ -0.11 0.07 -0.16 -0.04 7.32 7.09 1x9jG1 PRO 330 HA -0.32 -0.05 0.30 -0.51 4.44 3.86 1x9jG1 PRO 330 HB2 -0.13 -0.02 -0.00 -0.04 2.28 2.09 1x9jG1 PRO 330 HB3 -0.63 -0.04 -0.14 -0.04 2.02 1.18 1x9jG1 PRO 330 HG2 -0.04 0.04 -0.01 -0.04 2.03 1.98 1x9jG1 PRO 330 HG3 -0.10 0.17 -0.13 -0.04 2.03 1.92 1x9jG1 PRO 330 HD2 -0.10 0.07 0.13 -0.04 3.68 3.75 1x9jG1 PRO 330 HD3 -0.07 0.41 -0.54 -0.04 3.65 3.42 1x9jG1 GLY 331 H -0.38 0.56 0.17 -0.55 8.43 8.23 1x9jG1 GLY 331 HA2 -0.05 -0.14 0.02 -0.51 4.01 3.33 1x9jG1 GLY 331 HA3 0.03 0.13 0.47 -0.51 4.01 4.12 1x9jG1 SER 332 H 0.06 0.28 0.20 -0.55 8.46 8.45 1x9jG1 SER 332 HA 0.06 0.24 0.63 -0.75 4.49 4.66 1x9jG1 SER 332 HB2 0.11 -0.06 0.05 -0.04 3.95 4.02 1x9jG1 SER 332 HB3 0.19 0.02 -0.14 -0.04 3.93 3.96 1x9jG1 ASN 333 H 0.05 0.22 -0.02 -0.55 8.53 8.22 1x9jG1 ASN 333 HA 0.06 0.21 0.88 -0.75 4.76 5.16 1x9jG1 ASN 333 HB2 0.06 0.12 -0.11 -0.04 2.88 2.91 1x9jG1 ASN 333 HB3 0.04 0.03 0.10 -0.04 2.79 2.93 1x9jG1 ASN 333 HD21 0.09 0.05 -0.02 -0.04 7.03 7.12 1x9jG1 ASN 333 HD22 0.06 0.10 -0.04 -0.04 7.74 7.82 1x9jG1 GLU 334 H 0.04 0.21 -0.25 -0.55 8.60 8.05 1x9jG1 GLU 334 HA -0.01 0.07 0.27 -0.75 4.29 3.86 1x9jG1 GLU 334 HB2 0.02 0.06 -0.06 -0.04 2.09 2.06 1x9jG1 GLU 334 HB3 -0.01 0.05 -0.01 -0.04 1.99 1.98 1x9jG1 GLU 334 HG2 0.05 -0.06 -0.07 -0.04 2.34 2.21 1x9jG1 GLU 334 HG3 0.04 0.08 -0.03 -0.04 2.34 2.38 1x9jG1 GLU 335 H 0.05 0.09 -0.24 -0.55 8.60 7.96 1x9jG1 GLU 335 HA 0.01 0.09 0.25 -0.75 4.29 3.89 1x9jG1 GLU 335 HB2 0.16 -0.04 0.02 -0.04 2.09 2.18 1x9jG1 GLU 335 HB3 0.31 0.11 -0.14 -0.04 1.99 2.22 1x9jG1 GLU 335 HG2 0.14 0.12 -0.20 -0.04 2.34 2.36 1x9jG1 GLU 335 HG3 0.08 0.02 -0.20 -0.04 2.34 2.20 1x9jG1 LYS 336 H 0.12 0.10 -0.16 -0.55 8.42 7.93 1x9jG1 LYS 336 HA -0.15 0.07 0.25 -0.75 4.32 3.73 1x9jG1 LYS 336 HB2 0.18 0.01 0.05 -0.04 1.87 2.07 1x9jG1 LYS 336 HB3 0.05 0.02 0.01 -0.04 1.79 1.83 1x9jG1 LYS 336 HG2 0.01 0.01 -0.25 -0.04 1.46 1.18 1x9jG1 LYS 336 HG3 0.12 0.05 -0.01 -0.04 1.46 1.59 1x9jG1 LYS 336 HD2 0.09 0.01 -0.03 -0.04 1.69 1.72 1x9jG1 LYS 336 HD3 0.05 -0.03 -0.08 -0.04 1.68 1.58 1x9jG1 LYS 336 HE2 0.03 -0.01 -0.08 -0.04 2.99 2.89 1x9jG1 LYS 336 HE3 0.06 0.05 -0.04 -0.04 2.99 3.03 1x9jG1 ALA 337 H -0.03 0.34 -0.54 -0.55 8.40 7.62 1x9jG1 ALA 337 HA -0.07 0.04 0.28 -0.75 4.34 3.84 1x9jG1 ALA 337 HB3 -0.05 0.03 -0.01 -0.04 1.41 1.33 1x9jG1 LEU 338 H -0.10 0.52 -0.09 -0.55 8.37 8.15 1x9jG1 LEU 338 HA -0.09 -0.01 0.35 -0.75 4.35 3.85 1x9jG1 LEU 338 HB2 -0.09 0.06 0.09 -0.04 1.64 1.66 1x9jG1 LEU 338 HB3 -0.06 -0.03 -0.17 -0.04 1.64 1.33 1x9jG1 LEU 338 HG -0.05 0.17 -0.04 -0.04 1.64 1.68 1x9jG1 LEU 338 HD13 -0.02 -0.03 -0.26 -0.04 0.93 0.57 1x9jG1 LEU 338 HD23 -0.05 -0.01 -0.17 -0.04 0.89 0.62 1x9jG1 ALA 339 H -0.36 0.57 -0.10 -0.55 8.40 7.96 1x9jG1 ALA 339 HA -0.26 0.00 0.22 -0.75 4.34 3.54 1x9jG1 ALA 339 HB3 -1.19 0.01 -0.09 -0.04 1.41 0.10 1x9jG1 LEU 340 H -0.28 0.59 -0.14 -0.55 8.37 8.00 1x9jG1 LEU 340 HA -0.12 0.03 0.30 -0.75 4.35 3.81 1x9jG1 LEU 340 HB2 -0.10 0.08 0.01 -0.04 1.64 1.59 1x9jG1 LEU 340 HB3 -0.07 -0.02 -0.05 -0.04 1.64 1.46 1x9jG1 LEU 340 HG -0.11 0.09 0.06 -0.04 1.64 1.64 1x9jG1 LEU 340 HD13 -0.00 -0.01 -0.07 -0.04 0.93 0.81 1x9jG1 LEU 340 HD23 0.00 0.01 -0.06 -0.04 0.89 0.80 1x9jG1 SER 341 H -0.13 0.43 -0.37 -0.55 8.46 7.85 1x9jG1 SER 341 HA -0.10 0.02 0.34 -0.75 4.49 4.00 1x9jG1 SER 341 HB2 -0.10 0.09 0.10 -0.04 3.95 4.00 1x9jG1 SER 341 HB3 -0.09 -0.11 -0.06 -0.04 3.93 3.62 1x9jG1 ALA 342 H -0.15 0.58 -0.16 -0.55 8.40 8.13 1x9jG1 ALA 342 HA -0.33 -0.01 0.33 -0.75 4.34 3.58 1x9jG1 ALA 342 HB3 -0.10 0.02 -0.05 -0.04 1.41 1.24 1x9jG1 LEU 343 H -0.16 0.70 -0.13 -0.55 8.37 8.24 1x9jG1 LEU 343 HA -0.27 -0.00 0.28 -0.75 4.35 3.60 1x9jG1 LEU 343 HB2 -0.09 0.03 -0.03 -0.04 1.64 1.51 1x9jG1 LEU 343 HB3 -0.11 0.09 0.04 -0.04 1.64 1.62 1x9jG1 LEU 343 HG -0.10 0.02 -0.29 -0.04 1.64 1.24 1x9jG1 LEU 343 HD13 -0.10 -0.01 0.01 -0.04 0.93 0.80 1x9jG1 LEU 343 HD23 0.02 0.03 -0.25 -0.04 0.89 0.65 1x9jG1 ARG 344 H -0.16 0.50 -0.45 -0.55 8.46 7.80 1x9jG1 ARG 344 HA -0.12 0.02 0.39 -0.75 4.34 3.87 1x9jG1 ARG 344 HB2 -0.09 0.05 0.05 -0.04 1.90 1.86 1x9jG1 ARG 344 HB3 -0.12 0.18 0.06 -0.04 1.80 1.88 1x9jG1 ARG 344 HG2 -0.09 -0.05 -0.35 -0.04 1.67 1.15 1x9jG1 ARG 344 HG3 -0.07 -0.05 -0.04 -0.04 1.67 1.46 1x9jG1 ARG 344 HD2 -0.05 0.06 -0.16 -0.04 3.22 3.04 1x9jG1 ARG 344 HD3 -0.05 -0.01 -0.08 -0.04 3.22 3.04 1x9jG1 VAL 345 H -0.24 0.39 -0.27 -0.55 8.24 7.57 1x9jG1 VAL 345 HA -0.16 0.18 0.51 -0.75 4.13 3.91 1x9jG1 VAL 345 HB -0.46 0.14 0.13 -0.04 2.12 1.89 1x9jG1 VAL 345 HG13 -0.30 -0.00 -0.12 -0.04 0.97 0.51 1x9jG1 VAL 345 HG23 -0.29 0.03 -0.12 -0.04 0.95 0.53 1x9jG1 LEU 346 H -0.32 0.50 -0.09 -0.55 8.37 7.92 1x9jG1 LEU 346 HA -0.17 0.06 0.43 -0.75 4.35 3.91 1x9jG1 LEU 346 HB2 -0.89 0.08 0.04 -0.04 1.64 0.82 1x9jG1 LEU 346 HB3 -0.94 -0.01 0.06 -0.04 1.64 0.72 1x9jG1 LEU 346 HG -0.23 0.11 -0.10 -0.04 1.64 1.38 1x9jG1 LEU 346 HD13 -0.08 -0.03 -0.19 -0.04 0.93 0.58 1x9jG1 LEU 346 HD23 0.07 0.01 -0.04 -0.04 0.89 0.88 1x9jG1 ARG 347 H -0.25 0.17 -0.67 -0.55 8.46 7.15 1x9jG1 ARG 347 HA -0.05 0.18 0.78 -0.75 4.34 4.49 1x9jG1 ARG 347 HB2 -0.12 0.02 0.11 -0.04 1.90 1.87 1x9jG1 ARG 347 HB3 -0.03 -0.05 0.13 -0.04 1.80 1.81 1x9jG1 ARG 347 HG2 0.06 -0.00 -0.01 -0.04 1.67 1.67 1x9jG1 ARG 347 HG3 -0.37 0.08 -0.09 -0.04 1.67 1.25 1x9jG1 ARG 347 HD2 -0.08 0.00 -0.14 -0.04 3.22 2.96 1x9jG1 ARG 347 HD3 -0.01 -0.03 -0.02 -0.04 3.22 3.12 1x9jG1 GLY 348 H -0.10 0.41 -0.29 -0.55 8.43 7.90 1x9jG1 GLY 348 HA2 -0.04 0.08 0.35 -0.51 4.01 3.89 1x9jG1 GLY 348 HA3 -0.02 0.06 0.47 -0.51 4.01 4.01 1x9jG1 GLU 349 H -0.07 0.19 -0.35 -0.55 8.60 7.82 1x9jG1 GLU 349 HA -0.03 0.05 0.40 -0.75 4.29 3.95 1x9jG1 GLU 349 HB2 -0.06 -0.00 0.05 -0.04 2.09 2.03 1x9jG1 GLU 349 HB3 -0.04 -0.07 0.06 -0.04 1.99 1.91 1x9jG1 GLU 349 HG2 -0.02 0.02 -0.02 -0.04 2.34 2.27 1x9jG1 GLU 349 HG3 -0.05 0.02 -0.05 -0.04 2.34 2.23 1x9jG1 GLU 350 H -0.08 0.31 -0.25 -0.55 8.60 8.03 1x9jG1 GLU 350 HA -0.05 0.15 0.67 -0.75 4.29 4.31 1x9jG1 GLU 350 HB2 -0.07 -0.00 -0.26 -0.04 2.09 1.72 1x9jG1 GLU 350 HB3 -0.10 -0.05 -0.24 -0.04 1.99 1.56 1x9jG1 GLU 350 HG2 -0.07 0.08 -0.00 -0.04 2.34 2.31 1x9jG1 GLU 350 HG3 -0.05 0.03 0.06 -0.04 2.34 2.34 1x9jG1 LYS 351 H -0.05 0.13 0.11 -0.55 8.42 8.05 1x9jG1 LYS 351 HA -0.05 0.24 0.92 -0.75 4.32 4.68 1x9jG1 LYS 351 HB2 -0.04 -0.04 0.12 -0.04 1.87 1.87 1x9jG1 LYS 351 HB3 -0.03 0.03 0.08 -0.04 1.79 1.83 1x9jG1 LYS 351 HG2 -0.03 -0.04 -0.05 -0.04 1.46 1.30 1x9jG1 LYS 351 HG3 -0.02 -0.02 -0.00 -0.04 1.46 1.38 1x9jG1 LYS 351 HD2 -0.01 -0.03 -0.02 -0.04 1.69 1.59 1x9jG1 LYS 351 HD3 -0.03 0.11 -0.37 -0.04 1.68 1.35 1x9jG1 LYS 351 HE2 -0.02 0.05 -0.14 -0.04 2.99 2.85 1x9jG1 LYS 351 HE3 -0.01 -0.07 -0.04 -0.04 2.99 2.83 1x9jG1 PRO 352 HA -0.07 0.18 0.47 -0.51 4.44 4.51 1x9jG1 PRO 352 HB2 0.05 -0.05 -0.02 -0.04 2.28 2.22 1x9jG1 PRO 352 HB3 0.16 -0.04 0.06 -0.04 2.02 2.16 1x9jG1 PRO 352 HG2 0.09 0.04 0.06 -0.04 2.03 2.18 1x9jG1 PRO 352 HG3 -0.03 0.04 0.04 -0.04 2.03 2.04 1x9jG1 PRO 352 HD2 -0.00 0.07 0.20 -0.04 3.68 3.91 1x9jG1 PRO 352 HD3 -0.04 0.31 0.32 -0.04 3.65 4.20 1x9jG1 LYS 353 H -0.11 0.40 0.50 -0.55 8.42 8.66 1x9jG1 LYS 353 HA -0.18 0.22 0.93 -0.75 4.32 4.53 1x9jG1 LYS 353 HB2 -1.46 -0.10 -0.25 -0.04 1.87 0.02 1x9jG1 LYS 353 HB3 -0.97 -0.04 -0.15 -0.04 1.79 0.59 1x9jG1 LYS 353 HG2 -0.34 0.07 -0.21 -0.04 1.46 0.94 1x9jG1 LYS 353 HG3 -0.66 0.00 -0.20 -0.04 1.46 0.57 1x9jG1 LYS 353 HD2 -0.22 -0.07 -0.03 -0.04 1.69 1.33 1x9jG1 LYS 353 HD3 -0.17 0.14 -0.02 -0.04 1.68 1.59 1x9jG1 LYS 353 HE2 -0.07 -0.02 0.01 -0.04 2.99 2.87 1x9jG1 LYS 353 HE3 -0.11 0.06 0.00 -0.04 2.99 2.90 1x9jG1 ASN 354 H -0.03 0.26 0.10 -0.55 8.53 8.31 1x9jG1 ASN 354 HA 0.11 0.13 0.81 -0.75 4.76 5.06 1x9jG1 ASN 354 HB2 0.03 0.16 0.09 -0.04 2.88 3.11 1x9jG1 ASN 354 HB3 0.04 -0.00 0.23 -0.04 2.79 3.02 1x9jG1 ASN 354 HD21 0.04 0.01 0.03 -0.04 7.03 7.07 1x9jG1 ASN 354 HD22 0.04 0.12 0.03 -0.04 7.74 7.89 1x9jG1 TYR 355 H 0.38 0.31 0.18 -0.55 8.29 8.61 1x9jG1 TYR 355 HA 0.32 0.12 0.26 -0.75 4.56 4.51 1x9jG1 TYR 355 HB2 0.08 0.08 0.09 -0.04 3.06 3.27 1x9jG1 TYR 355 HB3 0.05 -0.11 0.17 -0.04 2.98 3.05 1x9jG1 TYR 355 HD2 -0.18 -0.05 -0.10 -0.04 7.15 6.78 1x9jG1 TYR 355 HE2 -0.13 0.17 -0.14 -0.04 6.85 6.72 1x9jG1 SER 356 H 0.12 0.06 -0.11 -0.55 8.46 7.98 1x9jG1 SER 356 HA -0.20 0.08 0.34 -0.75 4.49 3.95 1x9jG1 SER 356 HB2 0.02 -0.03 0.09 -0.04 3.95 3.99 1x9jG1 SER 356 HB3 -0.01 0.11 0.00 -0.04 3.93 3.99 1x9jG1 GLU 357 H 0.01 0.07 -0.13 -0.55 8.60 8.00 1x9jG1 GLU 357 HA -0.01 0.09 0.49 -0.75 4.29 4.11 1x9jG1 GLU 357 HB2 0.02 0.02 0.15 -0.04 2.09 2.25 1x9jG1 GLU 357 HB3 0.02 0.05 0.05 -0.04 1.99 2.07 1x9jG1 GLU 357 HG2 0.01 0.04 0.03 -0.04 2.34 2.38 1x9jG1 GLU 357 HG3 0.02 -0.11 0.07 -0.04 2.34 2.27 1x9jG1 GLU 358 H 0.05 0.67 0.02 -0.55 8.60 8.79 1x9jG1 GLU 358 HA 0.09 0.03 0.39 -0.75 4.29 4.05 1x9jG1 GLU 358 HB2 0.15 0.00 0.01 -0.04 2.09 2.21 1x9jG1 GLU 358 HB3 0.31 0.00 -0.03 -0.04 1.99 2.23 1x9jG1 GLU 358 HG2 0.26 0.00 -0.10 -0.04 2.34 2.46 1x9jG1 GLU 358 HG3 0.23 0.02 -0.03 -0.04 2.34 2.52 1x9jG1 SER 359 H -0.21 0.87 -0.05 -0.55 8.46 8.53 1x9jG1 SER 359 HA -0.05 0.21 0.46 -0.75 4.49 4.36 1x9jG1 SER 359 HB2 -0.31 -0.02 -0.01 -0.04 3.95 3.58 1x9jG1 SER 359 HB3 -1.02 -0.08 0.04 -0.04 3.93 2.83 1x9jG1 ARG 360 H -0.05 0.31 -0.30 -0.55 8.46 7.87 1x9jG1 ARG 360 HA 0.04 0.07 0.58 -0.75 4.34 4.27 1x9jG1 ARG 360 HB2 -0.00 0.10 0.24 -0.04 1.90 2.20 1x9jG1 ARG 360 HB3 0.01 -0.05 0.03 -0.04 1.80 1.76 1x9jG1 ARG 360 HG2 -0.02 -0.04 0.04 -0.04 1.67 1.61 1x9jG1 ARG 360 HG3 -0.06 0.22 0.14 -0.04 1.67 1.93 1x9jG1 ARG 360 HD2 -0.01 -0.04 -0.01 -0.04 3.22 3.12 1x9jG1 ARG 360 HD3 -0.00 -0.01 0.01 -0.04 3.22 3.18 1x9jG1 ARG 361 H 0.05 0.83 0.16 -0.55 8.46 8.94 1x9jG1 ARG 361 HA 0.03 -0.02 0.42 -0.75 4.34 4.01 1x9jG1 ARG 361 HB2 0.08 0.05 0.12 -0.04 1.90 2.11 1x9jG1 ARG 361 HB3 0.05 -0.03 0.05 -0.04 1.80 1.84 1x9jG1 ARG 361 HG2 0.03 0.16 0.10 -0.04 1.67 1.92 1x9jG1 ARG 361 HG3 0.03 -0.07 -0.04 -0.04 1.67 1.56 1x9jG1 ARG 361 HD2 0.02 0.01 0.02 -0.04 3.22 3.22 1x9jG1 ARG 361 HD3 0.02 -0.02 0.07 -0.04 3.22 3.24 1x9jG1 TRP 362 H 0.25 0.43 -0.43 -0.55 7.97 7.68 1x9jG1 TRP 362 HA 0.03 0.04 0.47 -0.75 4.62 4.40 1x9jG1 TRP 362 HB2 0.02 0.03 0.11 -0.04 3.23 3.34 1x9jG1 TRP 362 HB3 -0.00 0.16 0.10 -0.04 3.23 3.45 1x9jG1 TRP 362 HD1 0.02 -0.05 -0.07 -0.04 7.22 7.08 1x9jG1 TRP 362 HE1 -0.02 0.09 -0.10 -0.04 10.20 10.13 1x9jG1 TRP 362 HE3 -0.01 0.06 -0.24 -0.04 7.59 7.36 1x9jG1 TRP 362 HZ2 -0.13 0.01 -0.14 -0.04 7.44 7.14 1x9jG1 TRP 362 HZ3 -0.12 -0.00 -0.07 -0.04 7.13 6.90 1x9jG1 TRP 362 HH2 -0.33 0.02 -0.08 -0.04 7.19 6.75 1x9jG1 ARG 363 H 0.35 0.41 -0.06 -0.55 8.46 8.62 1x9jG1 ARG 363 HA 0.19 0.02 0.34 -0.75 4.34 4.14 1x9jG1 ARG 363 HB2 0.18 -0.05 0.09 -0.04 1.90 2.08 1x9jG1 ARG 363 HB3 0.28 0.09 0.19 -0.04 1.80 2.32 1x9jG1 ARG 363 HG2 0.10 0.43 0.34 -0.04 1.67 2.50 1x9jG1 ARG 363 HG3 0.08 -0.07 -0.08 -0.04 1.67 1.56 1x9jG1 ARG 363 HD2 0.05 -0.09 0.06 -0.04 3.22 3.20 1x9jG1 ARG 363 HD3 0.08 -0.04 0.03 -0.04 3.22 3.25 1x9jG1 GLU 364 H 0.05 0.62 -0.26 -0.55 8.60 8.46 1x9jG1 GLU 364 HA 0.00 0.02 0.41 -0.75 4.29 3.98 1x9jG1 GLU 364 HB2 -0.00 0.03 0.16 -0.04 2.09 2.24 1x9jG1 GLU 364 HB3 -0.01 -0.04 -0.00 -0.04 1.99 1.90 1x9jG1 GLU 364 HG2 0.01 -0.05 0.00 -0.04 2.34 2.26 1x9jG1 GLU 364 HG3 0.03 0.44 -0.04 -0.04 2.34 2.72 1x9jG1 ARG 365 H -0.07 0.57 0.00 -0.55 8.46 8.41 1x9jG1 ARG 365 HA -0.07 -0.04 0.35 -0.75 4.34 3.82 1x9jG1 ARG 365 HB2 -0.23 0.16 0.17 -0.04 1.90 1.95 1x9jG1 ARG 365 HB3 -0.14 -0.05 0.05 -0.04 1.80 1.62 1x9jG1 ARG 365 HG2 -0.04 -0.08 0.08 -0.04 1.67 1.58 1x9jG1 ARG 365 HG3 -0.04 0.15 0.21 -0.04 1.67 1.95 1x9jG1 ARG 365 HD2 -0.05 -0.03 0.02 -0.04 3.22 3.12 1x9jG1 ARG 365 HD3 -0.01 -0.08 0.02 -0.04 3.22 3.11 1x9jG1 TYR 366 H -0.20 0.39 -0.70 -0.55 8.29 7.23 1x9jG1 TYR 366 HA -0.26 0.05 0.51 -0.75 4.56 4.10 1x9jG1 TYR 366 HB2 -1.00 0.01 0.01 -0.04 3.06 2.04 1x9jG1 TYR 366 HB3 -0.34 0.16 0.08 -0.04 2.98 2.83 1x9jG1 TYR 366 HD2 -0.16 0.01 -0.05 -0.04 7.15 6.92 1x9jG1 TYR 366 HE2 0.06 -0.02 -0.04 -0.04 6.85 6.81 1x9jG1 ASP 367 H -0.05 0.54 0.08 -0.55 8.40 8.42 1x9jG1 ASP 367 HA -0.17 0.05 0.58 -0.75 4.63 4.34 1x9jG1 ASP 367 HB2 -0.03 0.08 0.25 -0.04 2.71 2.96 1x9jG1 ASP 367 HB3 -0.04 -0.06 0.07 -0.04 2.70 2.63 1x9jG1 SER 368 H -0.07 0.67 -0.08 -0.55 8.46 8.43 1x9jG1 SER 368 HA -0.05 0.02 0.33 -0.75 4.49 4.04 1x9jG1 SER 368 HB2 -0.04 0.15 0.02 -0.04 3.95 4.05 1x9jG1 SER 368 HB3 -0.02 -0.05 0.04 -0.04 3.93 3.86 1x9jG1 TYR 369 H -0.06 0.19 -1.04 -0.55 8.29 6.83 1x9jG1 TYR 369 HA -0.12 0.04 0.62 -0.75 4.56 4.34 1x9jG1 TYR 369 HB2 -0.15 0.05 0.10 -0.04 3.06 3.03 1x9jG1 TYR 369 HB3 -0.36 0.32 0.14 -0.04 2.98 3.03 1x9jG1 TYR 369 HD2 -0.20 0.05 0.03 -0.04 7.15 6.99 1x9jG1 TYR 369 HE2 -0.01 -0.04 0.04 -0.04 6.85 6.80 1x9jG1 LEU 370 H -0.17 0.50 -0.57 -0.55 8.37 7.58 1x9jG1 LEU 370 HA -0.30 0.09 0.83 -0.75 4.35 4.22 1x9jG1 LEU 370 HB2 -0.17 0.06 0.31 -0.04 1.64 1.79 1x9jG1 LEU 370 HB3 -0.16 -0.09 0.12 -0.04 1.64 1.47 1x9jG1 LEU 370 HG -0.58 0.40 0.02 -0.04 1.64 1.43 1x9jG1 LEU 370 HD13 -0.20 -0.04 -0.02 -0.04 0.93 0.63 1x9jG1 LEU 370 HD23 -0.33 0.00 -0.11 -0.04 0.89 0.42 1x9jG1 ASP 371 H -0.19 0.11 -0.23 -0.55 8.40 7.55 1x9jG1 ASP 371 HA -0.08 0.20 0.90 -0.75 4.63 4.90 1x9jG1 ASP 371 HB2 -0.09 -0.00 0.04 -0.04 2.71 2.61 1x9jG1 ASP 371 HB3 -0.06 -0.03 -0.03 -0.04 2.70 2.53 1x9jG1 GLY 372 H -0.14 0.10 0.03 -0.55 8.43 7.88 1x9jG1 GLY 372 HA2 -0.07 0.13 0.52 -0.51 4.01 4.09 1x9jG1 GLY 372 HA3 -0.09 -0.00 0.39 -0.51 4.01 3.79 1x9jG1 ILE 373 H -0.08 0.50 -0.58 -0.55 8.25 7.55 1x9jG1 ILE 373 HA -0.08 0.16 0.35 -0.75 4.18 3.86 1x9jG1 ILE 373 HB -0.05 -0.01 -0.01 -0.04 1.89 1.79 1x9jG1 ILE 373 HG12 -0.06 0.21 -0.03 -0.04 1.49 1.57 1x9jG1 ILE 373 HG13 -0.04 -0.05 0.01 -0.04 1.21 1.09 1x9jG1 ILE 373 HG23 -0.09 -0.01 -0.27 -0.04 0.93 0.51 1x9jG1 ILE 373 HD13 -0.04 0.01 -0.00 -0.04 0.88 0.81