============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. HIS 18 0.900 7.532 37.245 -14.083 -99.200 -91.000 PHE 22 1.000 10.491 33.185 -11.478 -99.200 -91.000 TYR 43 0.840 -6.670 32.116 -15.556 -99.200 -91.000 TRP 44 1.040 -13.224 39.927 -15.632 -99.200 -91.000 TRP6 44 1.020 -11.797 41.802 -15.430 -99.200 -91.000 TRP 49 1.040 3.649 45.019 -21.239 -99.200 -91.000 TRP6 49 1.020 3.238 47.263 -21.884 -99.200 -91.000 PHE 54 1.000 8.414 49.784 -21.153 -99.200 -91.000 PHE 60 1.000 18.456 43.333 -14.150 -99.200 -91.000 TRP 66 1.040 6.883 49.841 -26.167 -99.200 -91.000 TRP6 66 1.020 4.882 50.780 -25.332 -99.200 -91.000 TYR 93 0.840 12.647 59.714 -14.779 -99.200 -91.000 HIS 95 0.900 3.170 63.133 -10.368 -99.200 -91.000 TYR 96 0.840 7.314 59.930 -17.493 -99.200 -91.000 PHE 104 1.000 2.661 53.132 -21.180 -99.200 -91.000 PHE 116 1.000 -4.466 50.110 -20.375 -99.200 -91.000 PHE 119 1.000 0.347 51.518 -8.301 -99.200 -91.000 HIS 141 0.900 -12.535 46.798 -16.692 -99.200 -91.000 TYR 148 0.840 -6.248 47.482 4.193 -99.200 -91.000 HIS 154 0.900 -5.271 55.806 5.592 -99.200 -91.000 TRP 159 1.040 -10.151 52.156 3.588 -99.200 -91.000 TRP6 159 1.020 -8.139 52.511 2.390 -99.200 -91.000 TYR 186 0.840 -13.204 37.077 10.771 -99.200 -91.000 HIS 204 0.900 -9.829 41.964 -10.233 -99.200 -91.000 HIS 206 0.900 -2.305 42.015 -6.445 -99.200 -91.000 HIS 208 0.900 1.945 40.661 -3.417 -99.200 -91.000 TYR 240 0.840 9.891 36.547 -0.544 -99.200 -91.000 HIS 242 0.900 0.557 37.462 -6.314 -99.200 -91.000 TYR 257 0.840 -19.526 32.844 -2.628 -99.200 -91.000 TYR 272 0.840 5.398 25.808 -19.455 -99.200 -91.000 PHE 273 1.000 3.877 29.317 -15.977 -99.200 -91.000 TYR 280 0.840 13.260 32.027 -15.164 -99.200 -91.000 HIS 281 0.900 18.002 27.463 -6.392 -99.200 -91.000 PHE 283 1.000 17.778 35.531 -11.736 -99.200 -91.000 PHE 336 1.000 -1.163 58.993 10.840 -99.200 -91.000 TYR 361 0.840 11.547 64.756 10.744 -99.200 -91.000 TYR 376 0.840 6.915 62.365 -3.802 -99.200 -91.000 HIS 425 0.900 25.147 55.156 -38.692 -99.200 -91.000 PHE 442 1.000 11.940 51.990 -17.631 -99.200 -91.000 TRP 447 1.040 18.699 57.593 -25.229 -99.200 -91.000 TRP6 447 1.020 18.108 57.662 -27.518 -99.200 -91.000 PHE 449 1.000 15.625 46.807 -25.669 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2nx9B1 THR 2 HA 0.02 -0.08 0.18 -0.75 4.39 3.76 2nx9B1 THR 2 HB 0.02 0.05 -0.17 -0.04 4.32 4.18 2nx9B1 THR 2 HG23 0.03 -0.01 0.03 -0.04 1.22 1.23 2nx9B1 GLN 3 H 0.02 0.10 0.02 -0.55 8.47 8.07 2nx9B1 GLN 3 HA 0.02 0.03 0.56 -0.75 4.36 4.21 2nx9B1 GLN 3 HB2 0.01 0.00 0.09 -0.04 2.15 2.22 2nx9B1 GLN 3 HB3 0.03 -0.02 -0.01 -0.04 2.02 1.98 2nx9B1 GLN 3 HG2 0.02 0.09 0.08 -0.04 2.40 2.55 2nx9B1 GLN 3 HG3 0.02 0.20 -0.04 -0.04 2.39 2.53 2nx9B1 GLN 3 HE21 0.01 -0.04 0.03 -0.04 6.97 6.93 2nx9B1 GLN 3 HE22 0.01 0.04 0.02 -0.04 7.69 7.72 2nx9B1 ALA 4 H 0.01 0.08 0.13 -0.55 8.40 8.08 2nx9B1 ALA 4 HA 0.01 0.00 0.52 -0.75 4.34 4.12 2nx9B1 ALA 4 HB3 0.01 0.01 0.05 -0.04 1.41 1.43 2nx9B1 ILE 5 H -0.02 0.05 0.14 -0.55 8.25 7.87 2nx9B1 ILE 5 HA 0.04 0.14 0.52 -0.75 4.18 4.13 2nx9B1 ILE 5 HB -0.11 -0.05 0.14 -0.04 1.89 1.83 2nx9B1 ILE 5 HG12 -0.09 0.00 -0.03 -0.04 1.49 1.33 2nx9B1 ILE 5 HG13 0.02 0.16 -0.09 -0.04 1.21 1.26 2nx9B1 ILE 5 HG23 -0.45 -0.01 -0.19 -0.04 0.93 0.24 2nx9B1 ILE 5 HD13 -0.07 -0.03 0.01 -0.04 0.88 0.75 2nx9B1 LYS 6 H 0.07 0.30 0.13 -0.55 8.42 8.37 2nx9B1 LYS 6 HA -0.03 0.09 0.42 -0.75 4.32 4.04 2nx9B1 LYS 6 HB2 0.01 -0.07 0.12 -0.04 1.87 1.89 2nx9B1 LYS 6 HB3 0.00 0.07 -0.10 -0.04 1.79 1.72 2nx9B1 LYS 6 HG2 0.02 0.07 -0.22 -0.04 1.46 1.29 2nx9B1 LYS 6 HG3 0.03 0.11 -0.22 -0.04 1.46 1.34 2nx9B1 LYS 6 HD2 0.01 -0.03 -0.04 -0.04 1.69 1.60 2nx9B1 LYS 6 HD3 0.01 -0.05 -0.10 -0.04 1.68 1.51 2nx9B1 LYS 6 HE2 0.00 -0.00 -0.04 -0.04 2.99 2.91 2nx9B1 LYS 6 HE3 -0.01 0.08 -0.03 -0.04 2.99 3.00 2nx9B1 ARG 7 H 0.01 0.06 0.11 -0.55 8.46 8.08 2nx9B1 ARG 7 HA 0.05 0.07 0.29 -0.75 4.34 3.99 2nx9B1 ARG 7 HB2 0.01 0.00 0.07 -0.04 1.90 1.95 2nx9B1 ARG 7 HB3 0.02 -0.10 0.10 -0.04 1.80 1.78 2nx9B1 ARG 7 HG2 0.03 -0.06 -0.41 -0.04 1.67 1.19 2nx9B1 ARG 7 HG3 0.03 0.09 0.02 -0.04 1.67 1.77 2nx9B1 ARG 7 HD2 0.03 -0.10 -0.03 -0.04 3.22 3.08 2nx9B1 ARG 7 HD3 0.03 0.04 -0.02 -0.04 3.22 3.23 2nx9B1 VAL 8 H 0.07 0.39 0.23 -0.55 8.24 8.38 2nx9B1 VAL 8 HA -0.03 0.27 0.72 -0.75 4.13 4.33 2nx9B1 VAL 8 HB 0.01 -0.09 0.11 -0.04 2.12 2.10 2nx9B1 VAL 8 HG13 -0.09 -0.02 -0.20 -0.04 0.97 0.62 2nx9B1 VAL 8 HG23 -0.00 0.02 0.05 -0.04 0.95 0.98 2nx9B1 GLY 9 H -0.14 0.61 0.42 -0.55 8.43 8.77 2nx9B1 GLY 9 HA2 0.04 0.14 0.78 -0.51 4.01 4.46 2nx9B1 GLY 9 HA3 -0.15 0.02 0.38 -0.51 4.01 3.75 2nx9B1 VAL 10 H 0.15 0.21 0.23 -0.55 8.24 8.28 2nx9B1 VAL 10 HA 0.03 0.28 1.05 -0.75 4.13 4.73 2nx9B1 VAL 10 HB 0.20 -0.01 0.07 -0.04 2.12 2.34 2nx9B1 VAL 10 HG13 0.15 -0.05 -0.24 -0.04 0.97 0.80 2nx9B1 VAL 10 HG23 0.03 0.04 -0.23 -0.04 0.95 0.75 2nx9B1 THR 11 H 0.11 0.78 0.36 -0.55 8.28 8.98 2nx9B1 THR 11 HA 0.15 0.35 1.05 -0.75 4.39 5.19 2nx9B1 THR 11 HB 0.26 -0.05 0.08 -0.04 4.32 4.57 2nx9B1 THR 11 HG23 0.05 -0.01 -0.33 -0.04 1.22 0.89 2nx9B1 ASP 12 H -0.43 0.39 0.20 -0.55 8.40 8.01 2nx9B1 ASP 12 HA -0.18 0.33 1.01 -0.75 4.63 5.03 2nx9B1 ASP 12 HB2 -1.29 0.09 0.08 -0.04 2.71 1.56 2nx9B1 ASP 12 HB3 -0.74 0.03 0.17 -0.04 2.70 2.12 2nx9B1 VAL 13 H -0.22 0.70 0.35 -0.55 8.24 8.51 2nx9B1 VAL 13 HA -0.15 0.25 0.89 -0.75 4.13 4.37 2nx9B1 VAL 13 HB -0.20 -0.27 0.21 -0.04 2.12 1.81 2nx9B1 VAL 13 HG13 -0.13 0.05 -0.12 -0.04 0.97 0.73 2nx9B1 VAL 13 HG23 -0.68 0.07 -0.15 -0.04 0.95 0.15 2nx9B1 VAL 14 H -0.20 0.17 -0.26 -0.55 8.24 7.40 2nx9B1 VAL 14 HA -0.17 0.04 0.28 -0.75 4.13 3.52 2nx9B1 VAL 14 HB -0.27 -0.23 0.15 -0.04 2.12 1.73 2nx9B1 VAL 14 HG13 -0.20 0.05 -0.06 -0.04 0.97 0.72 2nx9B1 VAL 14 HG23 -0.87 0.05 -0.03 -0.04 0.95 0.05 2nx9B1 LEU 15 H -0.08 0.17 -0.27 -0.55 8.37 7.64 2nx9B1 LEU 15 HA 0.08 0.19 0.71 -0.75 4.35 4.57 2nx9B1 LEU 15 HB2 0.01 0.18 0.04 -0.04 1.64 1.83 2nx9B1 LEU 15 HB3 0.07 0.05 0.15 -0.04 1.64 1.87 2nx9B1 LEU 15 HG -0.00 -0.15 -0.09 -0.04 1.64 1.37 2nx9B1 LEU 15 HD13 0.03 0.03 -0.08 -0.04 0.93 0.87 2nx9B1 LEU 15 HD23 0.17 0.01 -0.11 -0.04 0.89 0.91 2nx9B1 ARG 16 H -0.05 0.31 -0.36 -0.55 8.46 7.81 2nx9B1 ARG 16 HA -0.08 0.24 0.67 -0.75 4.34 4.41 2nx9B1 ARG 16 HB2 -0.01 0.12 -0.73 -0.04 1.90 1.23 2nx9B1 ARG 16 HB3 -0.07 -0.20 -0.03 -0.04 1.80 1.45 2nx9B1 ARG 16 HG2 -0.04 0.09 -0.19 -0.04 1.67 1.49 2nx9B1 ARG 16 HG3 -0.02 0.04 -0.26 -0.04 1.67 1.38 2nx9B1 ARG 16 HD2 -0.15 -0.06 -0.46 -0.04 3.22 2.51 2nx9B1 ARG 16 HD3 -0.09 0.04 -0.27 -0.04 3.22 2.86 2nx9B1 ASP 17 H -0.11 0.19 0.15 -0.55 8.40 8.09 2nx9B1 ASP 17 HA -0.07 0.06 0.28 -0.75 4.63 4.14 2nx9B1 ASP 17 HB2 0.01 -0.00 0.06 -0.04 2.71 2.74 2nx9B1 ASP 17 HB3 0.05 0.03 -0.07 -0.04 2.70 2.66 2nx9B1 ALA 18 H -0.11 0.51 -0.09 -0.55 8.40 8.17 2nx9B1 ALA 18 HA 0.14 0.06 0.45 -0.75 4.34 4.23 2nx9B1 ALA 18 HB3 -0.06 0.05 0.01 -0.04 1.41 1.37 2nx9B1 HIS 19 H -0.20 0.22 -0.24 -0.55 8.41 7.64 2nx9B1 HIS 19 HA -0.76 0.10 0.50 -0.75 4.63 3.72 2nx9B1 HIS 19 HB2 -1.83 0.01 0.01 -0.04 3.26 1.41 2nx9B1 HIS 19 HB3 -0.62 0.11 -0.00 -0.04 3.20 2.64 2nx9B1 HIS 19 HD2 -0.17 0.17 -0.17 -0.04 6.97 6.75 2nx9B1 HIS 19 HE1 -0.11 0.12 -0.17 -0.04 7.75 7.55 2nx9B1 GLN 20 H -0.64 0.49 -0.24 -0.55 8.47 7.54 2nx9B1 GLN 20 HA -0.28 0.01 0.55 -0.75 4.36 3.88 2nx9B1 GLN 20 HB2 -0.32 0.06 0.04 -0.04 2.15 1.89 2nx9B1 GLN 20 HB3 -0.18 0.01 0.08 -0.04 2.02 1.89 2nx9B1 GLN 20 HG2 -0.09 0.05 -0.19 -0.04 2.40 2.12 2nx9B1 GLN 20 HG3 -0.12 0.04 -0.02 -0.04 2.39 2.25 2nx9B1 GLN 20 HE21 -0.04 -0.06 -0.02 -0.04 6.97 6.81 2nx9B1 GLN 20 HE22 -0.05 0.07 -0.06 -0.04 7.69 7.60 2nx9B1 SER 21 H -0.12 0.39 -0.43 -0.55 8.46 7.75 2nx9B1 SER 21 HA -0.06 0.02 0.29 -0.75 4.49 3.99 2nx9B1 SER 21 HB2 0.02 0.14 0.11 -0.04 3.95 4.18 2nx9B1 SER 21 HB3 0.07 0.03 -0.19 -0.04 3.93 3.79 2nx9B1 LEU 22 H -0.15 0.03 -0.29 -0.55 8.37 7.42 2nx9B1 LEU 22 HA 0.11 0.14 0.70 -0.75 4.35 4.54 2nx9B1 LEU 22 HB2 0.01 -0.01 0.02 -0.04 1.64 1.63 2nx9B1 LEU 22 HB3 0.27 0.02 -0.07 -0.04 1.64 1.82 2nx9B1 LEU 22 HG 0.07 0.02 -0.12 -0.04 1.64 1.56 2nx9B1 LEU 22 HD13 0.12 -0.02 -0.30 -0.04 0.93 0.69 2nx9B1 LEU 22 HD23 0.19 0.03 -0.17 -0.04 0.89 0.90 2nx9B1 PHE 23 H -0.28 0.24 -0.05 -0.55 8.34 7.69 2nx9B1 PHE 23 HA 0.08 0.42 0.39 -0.75 4.62 4.76 2nx9B1 PHE 23 HB2 0.28 0.01 0.07 -0.04 3.15 3.47 2nx9B1 PHE 23 HB3 0.17 0.14 -0.11 -0.04 3.06 3.21 2nx9B1 PHE 23 HD2 -0.01 0.01 -0.14 -0.04 7.28 7.09 2nx9B1 PHE 23 HE2 -0.50 -0.01 -0.11 -0.04 7.38 6.72 2nx9B1 PHE 23 HZ -0.14 0.00 -0.10 -0.04 7.32 7.04 2nx9B1 ALA 24 H -0.04 0.19 -0.14 -0.55 8.40 7.87 2nx9B1 ALA 24 HA -0.09 0.03 0.29 -0.75 4.34 3.82 2nx9B1 ALA 24 HB3 -0.13 0.05 -0.11 -0.04 1.41 1.18 2nx9B1 THR 25 H -0.18 0.38 -0.30 -0.55 8.28 7.63 2nx9B1 THR 25 HA -0.14 -0.11 -0.08 -0.75 4.39 3.30 2nx9B1 THR 25 HB -0.04 0.18 0.07 -0.04 4.32 4.49 2nx9B1 THR 25 HG23 -0.12 -0.04 -0.14 -0.04 1.22 0.88 2nx9B1 ARG 26 H -0.03 0.43 -0.17 -0.55 8.46 8.15 2nx9B1 ARG 26 HA -0.03 0.21 0.63 -0.75 4.34 4.39 2nx9B1 ARG 26 HB2 0.11 0.02 -0.01 -0.04 1.90 1.98 2nx9B1 ARG 26 HB3 -0.03 -0.04 0.05 -0.04 1.80 1.74 2nx9B1 ARG 26 HG2 -0.50 0.08 -0.23 -0.04 1.67 0.97 2nx9B1 ARG 26 HG3 -1.85 -0.05 -0.08 -0.04 1.67 -0.34 2nx9B1 ARG 26 HD2 -0.36 -0.03 -0.08 -0.04 3.22 2.70 2nx9B1 ARG 26 HD3 -0.23 0.06 -0.26 -0.04 3.22 2.75 2nx9B1 LEU 27 H -0.22 -0.03 -0.31 -0.55 8.37 7.27 2nx9B1 LEU 27 HA -0.35 0.02 0.30 -0.75 4.35 3.56 2nx9B1 LEU 27 HB2 -0.69 -0.06 -0.00 -0.04 1.64 0.85 2nx9B1 LEU 27 HB3 -1.21 -0.01 -0.03 -0.04 1.64 0.35 2nx9B1 LEU 27 HG -0.08 0.11 -0.26 -0.04 1.64 1.36 2nx9B1 LEU 27 HD13 0.10 -0.00 -0.09 -0.04 0.93 0.89 2nx9B1 LEU 27 HD23 -0.01 -0.01 -0.10 -0.04 0.89 0.73 2nx9B1 ARG 28 H 0.23 0.09 0.19 -0.55 8.46 8.41 2nx9B1 ARG 28 HA 0.07 0.20 0.59 -0.75 4.34 4.45 2nx9B1 ARG 28 HB2 0.15 -0.12 0.07 -0.04 1.90 1.97 2nx9B1 ARG 28 HB3 0.10 -0.05 0.13 -0.04 1.80 1.93 2nx9B1 ARG 28 HG2 0.15 0.14 0.02 -0.04 1.67 1.93 2nx9B1 ARG 28 HG3 0.30 0.03 0.10 -0.04 1.67 2.06 2nx9B1 ARG 28 HD2 0.10 -0.05 0.03 -0.04 3.22 3.25 2nx9B1 ARG 28 HD3 0.09 -0.01 0.05 -0.04 3.22 3.31 2nx9B1 ILE 29 H 0.05 0.24 0.16 -0.55 8.25 8.16 2nx9B1 ILE 29 HA 0.05 0.10 0.44 -0.75 4.18 4.02 2nx9B1 ILE 29 HB 0.04 0.04 0.14 -0.04 1.89 2.07 2nx9B1 ILE 29 HG12 0.03 0.04 0.04 -0.04 1.49 1.56 2nx9B1 ILE 29 HG13 0.03 -0.00 -0.01 -0.04 1.21 1.19 2nx9B1 ILE 29 HG23 0.04 0.02 -0.03 -0.04 0.93 0.93 2nx9B1 ILE 29 HD13 0.03 -0.00 0.06 -0.04 0.88 0.93 2nx9B1 ASP 30 H 0.07 0.13 -0.23 -0.55 8.40 7.82 2nx9B1 ASP 30 HA 0.05 0.11 0.37 -0.75 4.63 4.40 2nx9B1 ASP 30 HB2 0.06 0.04 -0.06 -0.04 2.71 2.72 2nx9B1 ASP 30 HB3 0.04 0.06 0.08 -0.04 2.70 2.84 2nx9B1 ASP 31 H 0.10 0.20 -0.42 -0.55 8.40 7.74 2nx9B1 ASP 31 HA 0.12 0.17 0.73 -0.75 4.63 4.91 2nx9B1 ASP 31 HB2 0.18 0.07 0.06 -0.04 2.71 2.97 2nx9B1 ASP 31 HB3 0.16 -0.02 0.01 -0.04 2.70 2.81 2nx9B1 MET 32 H 0.08 0.18 -0.39 -0.55 8.47 7.80 2nx9B1 MET 32 HA 0.14 0.07 0.57 -0.75 4.52 4.54 2nx9B1 MET 32 HB2 0.06 0.08 0.18 -0.04 2.15 2.42 2nx9B1 MET 32 HB3 0.07 -0.03 -0.02 -0.04 2.03 2.02 2nx9B1 MET 32 HG2 0.12 -0.06 -0.12 -0.04 2.63 2.53 2nx9B1 MET 32 HG3 0.06 0.20 -0.20 -0.04 2.56 2.58 2nx9B1 MET 32 HE3 -0.03 -0.01 -0.10 -0.04 2.10 1.91 2nx9B1 LEU 33 H 0.04 0.51 0.10 -0.55 8.37 8.48 2nx9B1 LEU 33 HA -0.01 0.02 0.26 -0.75 4.35 3.87 2nx9B1 LEU 33 HB2 0.02 0.06 0.10 -0.04 1.64 1.78 2nx9B1 LEU 33 HB3 0.00 -0.00 0.02 -0.04 1.64 1.62 2nx9B1 LEU 33 HG 0.02 0.05 0.07 -0.04 1.64 1.74 2nx9B1 LEU 33 HD13 0.01 -0.01 -0.03 -0.04 0.93 0.86 2nx9B1 LEU 33 HD23 0.00 -0.01 -0.09 -0.04 0.89 0.74 2nx9B1 PRO 34 HA -0.06 0.14 0.66 -0.51 4.44 4.67 2nx9B1 PRO 34 HB2 0.00 0.02 -0.06 -0.04 2.28 2.19 2nx9B1 PRO 34 HB3 0.01 0.01 0.10 -0.04 2.02 2.10 2nx9B1 PRO 34 HG2 0.12 0.07 0.03 -0.04 2.03 2.20 2nx9B1 PRO 34 HG3 0.04 0.02 0.03 -0.04 2.03 2.07 2nx9B1 PRO 34 HD2 0.05 0.17 -0.60 -0.04 3.68 3.26 2nx9B1 PRO 34 HD3 0.04 0.07 -0.22 -0.04 3.65 3.50 2nx9B1 ILE 35 H -0.25 0.47 -0.31 -0.55 8.25 7.61 2nx9B1 ILE 35 HA -0.36 0.16 0.89 -0.75 4.18 4.12 2nx9B1 ILE 35 HB -1.67 0.04 -0.02 -0.04 1.89 0.20 2nx9B1 ILE 35 HG12 -0.14 -0.03 0.08 -0.04 1.49 1.35 2nx9B1 ILE 35 HG13 -0.13 -0.13 0.17 -0.04 1.21 1.07 2nx9B1 ILE 35 HG23 -0.15 0.05 -0.04 -0.04 0.93 0.74 2nx9B1 ILE 35 HD13 -0.38 0.00 0.06 -0.04 0.88 0.52 2nx9B1 ALA 36 H -0.08 0.35 -0.23 -0.55 8.40 7.89 2nx9B1 ALA 36 HA 0.00 -0.03 0.09 -0.75 4.34 3.65 2nx9B1 ALA 36 HB3 -0.01 0.06 0.01 -0.04 1.41 1.43 2nx9B1 GLN 37 H -0.04 0.15 -0.13 -0.55 8.47 7.90 2nx9B1 GLN 37 HA -0.01 0.20 0.52 -0.75 4.36 4.32 2nx9B1 GLN 37 HB2 -0.02 0.06 0.13 -0.04 2.15 2.28 2nx9B1 GLN 37 HB3 -0.03 -0.05 0.04 -0.04 2.02 1.94 2nx9B1 GLN 37 HG2 -0.01 -0.04 -0.02 -0.04 2.40 2.28 2nx9B1 GLN 37 HG3 -0.01 0.11 0.09 -0.04 2.39 2.53 2nx9B1 GLN 37 HE21 -0.01 -0.02 0.01 -0.04 6.97 6.91 2nx9B1 GLN 37 HE22 -0.01 0.04 0.02 -0.04 7.69 7.70 2nx9B1 GLN 38 H -0.04 0.12 -0.20 -0.55 8.47 7.81 2nx9B1 GLN 38 HA -0.00 0.06 0.52 -0.75 4.36 4.18 2nx9B1 GLN 38 HB2 -0.05 0.11 0.12 -0.04 2.15 2.30 2nx9B1 GLN 38 HB3 0.00 -0.05 -0.00 -0.04 2.02 1.94 2nx9B1 GLN 38 HG2 -0.01 0.00 0.03 -0.04 2.40 2.38 2nx9B1 GLN 38 HG3 -0.03 0.00 0.03 -0.04 2.39 2.34 2nx9B1 GLN 38 HE21 -0.03 -0.01 0.00 -0.04 6.97 6.90 2nx9B1 GLN 38 HE22 -0.05 0.04 0.03 -0.04 7.69 7.67 2nx9B1 LEU 39 H 0.03 0.52 -0.13 -0.55 8.37 8.24 2nx9B1 LEU 39 HA 0.17 -0.07 0.45 -0.75 4.35 4.15 2nx9B1 LEU 39 HB2 0.07 0.21 0.09 -0.04 1.64 1.97 2nx9B1 LEU 39 HB3 0.12 -0.06 -0.04 -0.04 1.64 1.63 2nx9B1 LEU 39 HG 0.14 0.07 0.00 -0.04 1.64 1.81 2nx9B1 LEU 39 HD13 0.15 -0.01 -0.10 -0.04 0.93 0.94 2nx9B1 LEU 39 HD23 0.17 -0.05 0.00 -0.04 0.89 0.98 2nx9B1 ASP 40 H 0.04 0.59 -0.10 -0.55 8.40 8.37 2nx9B1 ASP 40 HA 0.06 -0.00 0.45 -0.75 4.63 4.38 2nx9B1 ASP 40 HB2 0.01 0.13 0.21 -0.04 2.71 3.02 2nx9B1 ASP 40 HB3 0.00 0.13 0.16 -0.04 2.70 2.95 2nx9B1 GLN 41 H 0.01 0.34 -0.40 -0.55 8.47 7.88 2nx9B1 GLN 41 HA -0.01 0.15 0.64 -0.75 4.36 4.39 2nx9B1 GLN 41 HB2 -0.01 0.05 0.11 -0.04 2.15 2.26 2nx9B1 GLN 41 HB3 -0.01 -0.07 0.12 -0.04 2.02 2.01 2nx9B1 GLN 41 HG2 -0.01 0.27 0.01 -0.04 2.40 2.64 2nx9B1 GLN 41 HG3 -0.01 -0.09 -0.01 -0.04 2.39 2.23 2nx9B1 GLN 41 HE21 -0.01 0.01 0.01 -0.04 6.97 6.93 2nx9B1 GLN 41 HE22 -0.01 -0.05 0.05 -0.04 7.69 7.64 2nx9B1 ILE 42 H -0.01 0.35 -0.36 -0.55 8.25 7.69 2nx9B1 ILE 42 HA -0.11 -0.00 0.40 -0.75 4.18 3.72 2nx9B1 ILE 42 HB -0.35 0.12 0.13 -0.04 1.89 1.76 2nx9B1 ILE 42 HG12 0.01 0.24 0.09 -0.04 1.49 1.79 2nx9B1 ILE 42 HG13 -0.10 -0.17 -0.01 -0.04 1.21 0.89 2nx9B1 ILE 42 HG23 -0.74 -0.05 -0.22 -0.04 0.93 -0.13 2nx9B1 ILE 42 HD13 -0.06 -0.01 -0.14 -0.04 0.88 0.62 2nx9B1 GLY 43 H -0.05 0.19 -0.14 -0.55 8.43 7.88 2nx9B1 GLY 43 HA2 -0.02 0.13 0.25 -0.51 4.01 3.86 2nx9B1 GLY 43 HA3 -0.05 0.17 0.78 -0.51 4.01 4.39 2nx9B1 TYR 44 H -0.02 -0.02 0.01 -0.55 8.29 7.71 2nx9B1 TYR 44 HA 0.07 0.02 0.64 -0.75 4.56 4.55 2nx9B1 TYR 44 HB2 0.01 0.03 -0.01 -0.04 3.06 3.05 2nx9B1 TYR 44 HB3 0.07 0.08 0.06 -0.04 2.98 3.14 2nx9B1 TYR 44 HD2 0.03 0.18 -0.01 -0.04 7.15 7.32 2nx9B1 TYR 44 HE2 0.02 -0.03 -0.04 -0.04 6.85 6.75 2nx9B1 TRP 45 H 0.40 0.32 0.33 -0.55 7.97 8.48 2nx9B1 TRP 45 HA 0.03 0.16 0.48 -0.75 4.62 4.54 2nx9B1 TRP 45 HB2 0.01 -0.07 0.12 -0.04 3.23 3.25 2nx9B1 TRP 45 HB3 0.04 -0.07 -0.14 -0.04 3.23 3.01 2nx9B1 TRP 45 HD1 0.00 0.06 0.02 -0.04 7.22 7.26 2nx9B1 TRP 45 HE1 0.01 0.04 -0.04 -0.04 10.20 10.18 2nx9B1 TRP 45 HE3 0.08 -0.05 -0.43 -0.04 7.59 7.15 2nx9B1 TRP 45 HZ2 -0.17 0.05 -0.12 -0.04 7.44 7.16 2nx9B1 TRP 45 HZ3 -0.05 -0.10 -0.26 -0.04 7.13 6.68 2nx9B1 TRP 45 HH2 -0.77 -0.05 -0.21 -0.04 7.19 6.13 2nx9B1 SER 46 H 0.28 0.23 0.06 -0.55 8.46 8.48 2nx9B1 SER 46 HA -0.14 0.34 0.28 -0.75 4.49 4.21 2nx9B1 SER 46 HB2 -0.08 -0.00 -0.21 -0.04 3.95 3.61 2nx9B1 SER 46 HB3 -0.43 0.18 -0.19 -0.04 3.93 3.45 2nx9B1 LEU 47 H -0.07 0.69 0.15 -0.55 8.37 8.59 2nx9B1 LEU 47 HA -0.16 0.08 0.87 -0.75 4.35 4.39 2nx9B1 LEU 47 HB2 -0.06 0.14 0.07 -0.04 1.64 1.75 2nx9B1 LEU 47 HB3 -0.09 -0.04 -0.06 -0.04 1.64 1.41 2nx9B1 LEU 47 HG -0.08 0.01 -0.26 -0.04 1.64 1.26 2nx9B1 LEU 47 HD13 0.05 0.05 -0.16 -0.04 0.93 0.83 2nx9B1 LEU 47 HD23 -0.41 -0.03 0.06 -0.04 0.89 0.47 2nx9B1 GLU 48 H -0.09 0.33 0.06 -0.55 8.60 8.35 2nx9B1 GLU 48 HA -0.03 0.16 0.44 -0.75 4.29 4.10 2nx9B1 GLU 48 HB2 -0.06 0.03 -0.07 -0.04 2.09 1.95 2nx9B1 GLU 48 HB3 -0.08 -0.19 0.12 -0.04 1.99 1.80 2nx9B1 GLU 48 HG2 -0.03 0.06 -0.13 -0.04 2.34 2.20 2nx9B1 GLU 48 HG3 -0.05 0.04 -0.27 -0.04 2.34 2.03 2nx9B1 CYS 49 H 0.04 0.61 0.40 -0.55 8.50 8.99 2nx9B1 CYS 49 HA 0.05 0.13 0.61 -0.75 4.58 4.61 2nx9B1 CYS 49 HB2 0.04 -0.00 0.09 -0.04 2.97 3.06 2nx9B1 CYS 49 HB3 0.00 -0.03 -0.33 -0.04 2.97 2.57 2nx9B1 TRP 50 H 0.13 0.17 0.24 -0.55 7.97 7.95 2nx9B1 TRP 50 HA -0.05 0.15 0.66 -0.75 4.62 4.63 2nx9B1 TRP 50 HB2 -0.08 0.08 -0.40 -0.04 3.23 2.79 2nx9B1 TRP 50 HB3 -0.08 -0.05 -0.17 -0.04 3.23 2.89 2nx9B1 TRP 50 HD1 -0.10 0.19 0.13 -0.04 7.22 7.41 2nx9B1 TRP 50 HE1 -0.29 0.13 0.03 -0.04 10.20 10.02 2nx9B1 TRP 50 HE3 -0.05 -0.01 -0.15 -0.04 7.59 7.34 2nx9B1 TRP 50 HZ2 -0.99 -0.11 -0.33 -0.04 7.44 5.97 2nx9B1 TRP 50 HZ3 -0.10 0.00 -0.08 -0.04 7.13 6.92 2nx9B1 TRP 50 HH2 -1.47 -0.01 -0.08 -0.04 7.19 5.59 2nx9B1 GLY 51 H -0.89 0.12 0.13 -0.55 8.43 7.25 2nx9B1 GLY 51 HA2 -0.34 0.07 0.39 -0.51 4.01 3.61 2nx9B1 GLY 51 HA3 -0.07 0.17 0.80 -0.51 4.01 4.40 2nx9B1 GLY 52 H -0.03 0.39 0.24 -0.55 8.43 8.48 2nx9B1 GLY 52 HA2 -0.01 0.07 0.31 -0.51 4.01 3.87 2nx9B1 GLY 52 HA3 -0.06 0.01 0.58 -0.51 4.01 4.03 2nx9B1 ALA 53 H -0.07 0.15 0.13 -0.55 8.40 8.07 2nx9B1 ALA 53 HA 0.00 0.18 0.61 -0.75 4.34 4.38 2nx9B1 ALA 53 HB3 -0.02 0.03 0.05 -0.04 1.41 1.43 2nx9B1 THR 54 H -0.11 0.38 -0.23 -0.55 8.28 7.77 2nx9B1 THR 54 HA -0.06 0.17 0.38 -0.75 4.39 4.12 2nx9B1 THR 54 HB -0.08 0.05 -0.03 -0.04 4.32 4.21 2nx9B1 THR 54 HG23 -0.02 0.03 -0.02 -0.04 1.22 1.16 2nx9B1 PHE 55 H -0.16 0.14 -0.21 -0.55 8.34 7.55 2nx9B1 PHE 55 HA -0.41 0.03 0.42 -0.75 4.62 3.91 2nx9B1 PHE 55 HB2 -0.54 -0.05 0.10 -0.04 3.15 2.62 2nx9B1 PHE 55 HB3 -0.13 0.05 0.08 -0.04 3.06 3.01 2nx9B1 PHE 55 HD2 -0.82 0.02 -0.14 -0.04 7.28 6.30 2nx9B1 PHE 55 HE2 -0.57 0.03 -0.03 -0.04 7.38 6.77 2nx9B1 PHE 55 HZ 0.28 0.01 -0.05 -0.04 7.32 7.51 2nx9B1 ASP 56 H 0.05 0.11 -0.16 -0.55 8.40 7.85 2nx9B1 ASP 56 HA -0.68 0.03 0.40 -0.75 4.63 3.62 2nx9B1 ASP 56 HB2 0.25 0.02 0.10 -0.04 2.71 3.05 2nx9B1 ASP 56 HB3 0.03 0.13 0.13 -0.04 2.70 2.95 2nx9B1 SER 57 H -0.06 0.60 -0.06 -0.55 8.46 8.39 2nx9B1 SER 57 HA 0.09 -0.00 0.39 -0.75 4.49 4.22 2nx9B1 SER 57 HB2 0.04 -0.03 0.10 -0.04 3.95 4.02 2nx9B1 SER 57 HB3 -0.02 -0.03 0.17 -0.04 3.93 4.01 2nx9B1 CYS 58 H -0.17 0.82 -0.05 -0.55 8.50 8.55 2nx9B1 CYS 58 HA -0.12 -0.05 0.47 -0.75 4.58 4.13 2nx9B1 CYS 58 HB2 -0.40 0.13 0.26 -0.04 2.97 2.93 2nx9B1 CYS 58 HB3 -0.37 0.20 -0.05 -0.04 2.97 2.71 2nx9B1 ILE 59 H -0.42 0.44 -0.07 -0.55 8.25 7.65 2nx9B1 ILE 59 HA -0.74 0.10 0.45 -0.75 4.18 3.23 2nx9B1 ILE 59 HB -0.41 0.00 0.02 -0.04 1.89 1.47 2nx9B1 ILE 59 HG12 -0.57 0.16 0.12 -0.04 1.49 1.17 2nx9B1 ILE 59 HG13 -0.42 0.08 -0.14 -0.04 1.21 0.69 2nx9B1 ILE 59 HG23 -0.92 -0.01 0.04 -0.04 0.93 -0.00 2nx9B1 ILE 59 HD13 -0.63 -0.05 -0.15 -0.04 0.88 0.01 2nx9B1 ARG 60 H -0.30 0.63 0.04 -0.55 8.46 8.28 2nx9B1 ARG 60 HA -0.26 0.11 0.63 -0.75 4.34 4.07 2nx9B1 ARG 60 HB2 -0.35 0.01 0.09 -0.04 1.90 1.62 2nx9B1 ARG 60 HB3 -0.70 -0.00 -0.05 -0.04 1.80 1.01 2nx9B1 ARG 60 HG2 -0.70 0.02 0.03 -0.04 1.67 0.97 2nx9B1 ARG 60 HG3 -0.27 -0.02 0.06 -0.04 1.67 1.39 2nx9B1 ARG 60 HD2 -0.13 -0.05 -0.00 -0.04 3.22 3.00 2nx9B1 ARG 60 HD3 -0.18 -0.04 -0.03 -0.04 3.22 2.94 2nx9B1 PHE 61 H -0.09 0.40 0.01 -0.55 8.34 8.11 2nx9B1 PHE 61 HA 0.00 0.23 1.03 -0.75 4.62 5.13 2nx9B1 PHE 61 HB2 -0.07 0.07 0.06 -0.04 3.15 3.17 2nx9B1 PHE 61 HB3 -0.04 -0.02 0.02 -0.04 3.06 2.98 2nx9B1 PHE 61 HD2 -0.03 0.01 0.01 -0.04 7.28 7.23 2nx9B1 PHE 61 HE2 -0.00 -0.04 -0.04 -0.04 7.38 7.25 2nx9B1 PHE 61 HZ 0.01 -0.05 -0.04 -0.04 7.32 7.19 2nx9B1 LEU 62 H 0.02 0.31 0.16 -0.55 8.37 8.32 2nx9B1 LEU 62 HA 0.10 0.22 0.65 -0.75 4.35 4.57 2nx9B1 LEU 62 HB2 0.00 -0.02 0.13 -0.04 1.64 1.71 2nx9B1 LEU 62 HB3 0.05 -0.10 0.07 -0.04 1.64 1.62 2nx9B1 LEU 62 HG 0.08 0.07 -0.16 -0.04 1.64 1.59 2nx9B1 LEU 62 HD13 0.03 -0.04 -0.21 -0.04 0.93 0.67 2nx9B1 LEU 62 HD23 0.08 0.01 -0.13 -0.04 0.89 0.82 2nx9B1 GLY 63 H 0.06 0.15 -0.02 -0.55 8.43 8.07 2nx9B1 GLY 63 HA2 0.28 0.06 0.27 -0.51 4.01 4.11 2nx9B1 GLY 63 HA3 0.15 0.06 0.46 -0.51 4.01 4.17 2nx9B1 GLU 64 H -0.04 0.38 -0.10 -0.55 8.60 8.29 2nx9B1 GLU 64 HA 0.11 0.17 0.85 -0.75 4.29 4.67 2nx9B1 GLU 64 HB2 -0.07 -0.04 -0.00 -0.04 2.09 1.94 2nx9B1 GLU 64 HB3 -0.01 -0.04 -0.12 -0.04 1.99 1.78 2nx9B1 GLU 64 HG2 0.05 0.07 -0.04 -0.04 2.34 2.38 2nx9B1 GLU 64 HG3 0.03 0.14 -0.16 -0.04 2.34 2.31 2nx9B1 ASP 65 H 0.16 0.18 0.06 -0.55 8.40 8.25 2nx9B1 ASP 65 HA -0.09 0.23 0.73 -0.75 4.63 4.75 2nx9B1 ASP 65 HB2 0.39 0.16 0.07 -0.04 2.71 3.29 2nx9B1 ASP 65 HB3 0.17 -0.02 0.17 -0.04 2.70 2.98 2nx9B1 PRO 66 HA -0.13 0.11 0.35 -0.51 4.44 4.25 2nx9B1 PRO 66 HB2 -1.26 0.01 -0.02 -0.04 2.28 0.97 2nx9B1 PRO 66 HB3 -1.03 0.05 0.12 -0.04 2.02 1.12 2nx9B1 PRO 66 HG2 -1.32 -0.05 0.11 -0.04 2.03 0.74 2nx9B1 PRO 66 HG3 -1.80 0.13 0.11 -0.04 2.03 0.43 2nx9B1 PRO 66 HD2 -0.35 0.07 0.25 -0.04 3.68 3.62 2nx9B1 PRO 66 HD3 -0.66 0.39 0.19 -0.04 3.65 3.54 2nx9B1 TRP 67 H -0.17 0.15 -0.10 -0.55 7.97 7.30 2nx9B1 TRP 67 HA 0.04 0.11 0.46 -0.75 4.62 4.48 2nx9B1 TRP 67 HB2 0.04 -0.02 0.00 -0.04 3.23 3.21 2nx9B1 TRP 67 HB3 0.00 0.09 0.01 -0.04 3.23 3.29 2nx9B1 TRP 67 HD1 0.09 0.00 -0.04 -0.04 7.22 7.23 2nx9B1 TRP 67 HE1 0.43 0.07 0.02 -0.04 10.20 10.69 2nx9B1 TRP 67 HE3 -0.05 0.08 -0.06 -0.04 7.59 7.52 2nx9B1 TRP 67 HZ2 0.41 -0.03 -0.04 -0.04 7.44 7.74 2nx9B1 TRP 67 HZ3 -0.16 0.05 -0.28 -0.04 7.13 6.70 2nx9B1 TRP 67 HH2 -0.67 0.00 -0.02 -0.04 7.19 6.47 2nx9B1 GLN 68 H 0.18 0.04 -0.39 -0.55 8.47 7.76 2nx9B1 GLN 68 HA 0.08 0.07 0.35 -0.75 4.36 4.10 2nx9B1 GLN 68 HB2 0.11 -0.06 0.08 -0.04 2.15 2.24 2nx9B1 GLN 68 HB3 0.09 0.08 0.10 -0.04 2.02 2.24 2nx9B1 GLN 68 HG2 0.04 0.01 -0.09 -0.04 2.40 2.32 2nx9B1 GLN 68 HG3 0.05 0.00 0.08 -0.04 2.39 2.47 2nx9B1 GLN 68 HE21 0.04 0.04 0.01 -0.04 6.97 7.02 2nx9B1 GLN 68 HE22 0.03 0.00 0.01 -0.04 7.69 7.70 2nx9B1 ARG 69 H 0.04 0.41 -0.18 -0.55 8.46 8.18 2nx9B1 ARG 69 HA 0.02 0.01 0.46 -0.75 4.34 4.07 2nx9B1 ARG 69 HB2 0.04 -0.02 0.07 -0.04 1.90 1.95 2nx9B1 ARG 69 HB3 0.12 0.09 0.18 -0.04 1.80 2.15 2nx9B1 ARG 69 HG2 0.06 0.04 -0.22 -0.04 1.67 1.51 2nx9B1 ARG 69 HG3 0.04 -0.07 0.03 -0.04 1.67 1.63 2nx9B1 ARG 69 HD2 0.15 -0.05 0.00 -0.04 3.22 3.29 2nx9B1 ARG 69 HD3 0.13 0.10 -0.01 -0.04 3.22 3.40 2nx9B1 LEU 70 H -0.12 0.42 -0.05 -0.55 8.37 8.07 2nx9B1 LEU 70 HA -0.31 -0.00 0.35 -0.75 4.35 3.63 2nx9B1 LEU 70 HB2 -1.32 -0.08 0.08 -0.04 1.64 0.28 2nx9B1 LEU 70 HB3 -0.43 0.21 0.14 -0.04 1.64 1.51 2nx9B1 LEU 70 HG -0.39 0.16 -0.49 -0.04 1.64 0.89 2nx9B1 LEU 70 HD13 -0.51 -0.02 -0.23 -0.04 0.93 0.12 2nx9B1 LEU 70 HD23 -1.33 -0.01 -0.05 -0.04 0.89 -0.54 2nx9B1 ARG 71 H -0.08 0.32 -0.22 -0.55 8.46 7.93 2nx9B1 ARG 71 HA -0.08 0.27 0.54 -0.75 4.34 4.31 2nx9B1 ARG 71 HB2 -0.01 0.03 0.15 -0.04 1.90 2.03 2nx9B1 ARG 71 HB3 -0.02 -0.02 0.10 -0.04 1.80 1.81 2nx9B1 ARG 71 HG2 -0.03 0.14 0.13 -0.04 1.67 1.87 2nx9B1 ARG 71 HG3 0.00 0.11 0.08 -0.04 1.67 1.82 2nx9B1 ARG 71 HD2 0.01 -0.01 0.02 -0.04 3.22 3.20 2nx9B1 ARG 71 HD3 -0.01 0.03 0.03 -0.04 3.22 3.23 2nx9B1 LEU 72 H -0.03 0.50 -0.09 -0.55 8.37 8.20 2nx9B1 LEU 72 HA -0.02 0.02 0.47 -0.75 4.35 4.08 2nx9B1 LEU 72 HB2 -0.00 0.12 0.23 -0.04 1.64 1.95 2nx9B1 LEU 72 HB3 0.00 -0.08 0.05 -0.04 1.64 1.57 2nx9B1 LEU 72 HG 0.01 0.12 0.11 -0.04 1.64 1.84 2nx9B1 LEU 72 HD13 0.02 -0.04 -0.04 -0.04 0.93 0.83 2nx9B1 LEU 72 HD23 0.01 -0.01 0.02 -0.04 0.89 0.86 2nx9B1 LEU 73 H -0.05 0.59 -0.05 -0.55 8.37 8.31 2nx9B1 LEU 73 HA -0.02 -0.03 0.46 -0.75 4.35 4.01 2nx9B1 LEU 73 HB2 -0.09 0.11 0.11 -0.04 1.64 1.74 2nx9B1 LEU 73 HB3 -0.05 -0.01 -0.02 -0.04 1.64 1.52 2nx9B1 LEU 73 HG -0.00 0.01 -0.06 -0.04 1.64 1.55 2nx9B1 LEU 73 HD13 0.01 -0.02 -0.03 -0.04 0.93 0.85 2nx9B1 LEU 73 HD23 0.02 -0.02 -0.05 -0.04 0.89 0.79 2nx9B1 LYS 74 H -0.08 0.48 -0.18 -0.55 8.42 8.09 2nx9B1 LYS 74 HA -0.07 0.11 0.31 -0.75 4.32 3.91 2nx9B1 LYS 74 HB2 -0.11 0.00 0.15 -0.04 1.87 1.87 2nx9B1 LYS 74 HB3 -0.07 0.04 0.22 -0.04 1.79 1.94 2nx9B1 LYS 74 HG2 -0.07 0.01 0.02 -0.04 1.46 1.39 2nx9B1 LYS 74 HG3 -0.05 -0.03 -0.16 -0.04 1.46 1.17 2nx9B1 LYS 74 HD2 -0.07 0.05 0.07 -0.04 1.69 1.70 2nx9B1 LYS 74 HD3 -0.09 0.13 0.14 -0.04 1.68 1.81 2nx9B1 LYS 74 HE2 -0.06 -0.03 0.00 -0.04 2.99 2.87 2nx9B1 LYS 74 HE3 -0.05 -0.04 -0.01 -0.04 2.99 2.85 2nx9B1 GLN 75 H -0.04 0.61 -0.00 -0.55 8.47 8.49 2nx9B1 GLN 75 HA -0.03 0.01 0.45 -0.75 4.36 4.03 2nx9B1 GLN 75 HB2 -0.02 0.00 0.15 -0.04 2.15 2.24 2nx9B1 GLN 75 HB3 -0.02 0.08 0.18 -0.04 2.02 2.22 2nx9B1 GLN 75 HG2 -0.01 0.00 -0.28 -0.04 2.40 2.07 2nx9B1 GLN 75 HG3 -0.01 -0.03 0.02 -0.04 2.39 2.32 2nx9B1 GLN 75 HE21 -0.01 -0.05 -0.00 -0.04 6.97 6.87 2nx9B1 GLN 75 HE22 -0.01 0.01 0.01 -0.04 7.69 7.66 2nx9B1 ALA 76 H -0.02 0.38 -0.41 -0.55 8.40 7.79 2nx9B1 ALA 76 HA -0.02 0.02 0.40 -0.75 4.34 3.99 2nx9B1 ALA 76 HB3 -0.01 -0.04 0.09 -0.04 1.41 1.40 2nx9B1 MET 77 H -0.03 0.45 -0.36 -0.55 8.47 7.99 2nx9B1 MET 77 HA -0.01 0.09 0.91 -0.75 4.52 4.75 2nx9B1 MET 77 HB2 -0.03 0.12 0.17 -0.04 2.15 2.37 2nx9B1 MET 77 HB3 -0.01 -0.13 0.13 -0.04 2.03 1.98 2nx9B1 MET 77 HG2 -0.00 0.16 -0.18 -0.04 2.63 2.57 2nx9B1 MET 77 HG3 -0.01 -0.03 -0.26 -0.04 2.56 2.22 2nx9B1 MET 77 HE3 -0.01 0.02 -0.04 -0.04 2.10 2.03 2nx9B1 PRO 78 HA -0.03 0.17 0.44 -0.51 4.44 4.51 2nx9B1 PRO 78 HB2 -0.02 -0.03 -0.03 -0.04 2.28 2.16 2nx9B1 PRO 78 HB3 -0.02 0.05 0.09 -0.04 2.02 2.10 2nx9B1 PRO 78 HG2 -0.02 -0.06 0.04 -0.04 2.03 1.96 2nx9B1 PRO 78 HG3 -0.02 0.02 0.04 -0.04 2.03 2.03 2nx9B1 PRO 78 HD2 -0.02 0.09 0.01 -0.04 3.68 3.72 2nx9B1 PRO 78 HD3 -0.02 0.33 -0.33 -0.04 3.65 3.58 2nx9B1 ASN 79 H -0.02 0.04 -0.21 -0.55 8.53 7.79 2nx9B1 ASN 79 HA -0.03 0.18 0.57 -0.75 4.76 4.73 2nx9B1 ASN 79 HB2 -0.01 0.05 0.02 -0.04 2.88 2.89 2nx9B1 ASN 79 HB3 -0.02 0.00 0.09 -0.04 2.79 2.83 2nx9B1 ASN 79 HD21 -0.01 -0.03 -0.04 -0.04 7.03 6.92 2nx9B1 ASN 79 HD22 -0.01 0.02 -0.03 -0.04 7.74 7.68 2nx9B1 THR 80 H -0.03 0.21 -0.19 -0.55 8.28 7.72 2nx9B1 THR 80 HA -0.06 0.29 0.93 -0.75 4.39 4.80 2nx9B1 THR 80 HB -0.00 -0.05 0.01 -0.04 4.32 4.23 2nx9B1 THR 80 HG23 0.02 0.06 -0.21 -0.04 1.22 1.05 2nx9B1 PRO 81 HA -0.14 0.07 0.52 -0.51 4.44 4.38 2nx9B1 PRO 81 HB2 -0.41 -0.09 0.10 -0.04 2.28 1.83 2nx9B1 PRO 81 HB3 -0.31 -0.01 0.05 -0.04 2.02 1.72 2nx9B1 PRO 81 HG2 -0.54 0.18 0.14 -0.04 2.03 1.76 2nx9B1 PRO 81 HG3 -0.26 0.04 0.07 -0.04 2.03 1.84 2nx9B1 PRO 81 HD2 -0.20 0.14 0.11 -0.04 3.68 3.69 2nx9B1 PRO 81 HD3 -0.15 0.26 0.14 -0.04 3.65 3.86 2nx9B1 LEU 82 H -0.11 0.21 0.28 -0.55 8.37 8.19 2nx9B1 LEU 82 HA -0.09 0.18 0.87 -0.75 4.35 4.56 2nx9B1 LEU 82 HB2 -0.14 -0.08 0.14 -0.04 1.64 1.52 2nx9B1 LEU 82 HB3 -0.11 -0.08 0.09 -0.04 1.64 1.49 2nx9B1 LEU 82 HG -0.10 0.13 0.13 -0.04 1.64 1.77 2nx9B1 LEU 82 HD13 -0.14 -0.01 -0.12 -0.04 0.93 0.63 2nx9B1 LEU 82 HD23 -0.07 0.04 -0.10 -0.04 0.89 0.72 2nx9B1 GLN 83 H -0.06 0.48 0.30 -0.55 8.47 8.64 2nx9B1 GLN 83 HA -0.10 0.32 0.98 -0.75 4.36 4.80 2nx9B1 GLN 83 HB2 -0.02 0.08 -0.38 -0.04 2.15 1.79 2nx9B1 GLN 83 HB3 -0.02 -0.13 -0.35 -0.04 2.02 1.48 2nx9B1 GLN 83 HG2 -0.01 -0.07 -0.28 -0.04 2.40 2.00 2nx9B1 GLN 83 HG3 0.02 0.07 -0.13 -0.04 2.39 2.31 2nx9B1 GLN 83 HE21 -0.17 0.01 -0.23 -0.04 6.97 6.54 2nx9B1 GLN 83 HE22 -0.08 -0.04 -0.21 -0.04 7.69 7.32 2nx9B1 MET 84 H -0.10 0.57 0.31 -0.55 8.47 8.71 2nx9B1 MET 84 HA 0.05 0.21 0.87 -0.75 4.52 4.90 2nx9B1 MET 84 HB2 0.19 -0.04 -0.31 -0.04 2.15 1.95 2nx9B1 MET 84 HB3 0.15 0.01 -0.27 -0.04 2.03 1.87 2nx9B1 MET 84 HG2 -0.45 0.14 -0.07 -0.04 2.63 2.21 2nx9B1 MET 84 HG3 0.07 -0.07 -0.49 -0.04 2.56 2.03 2nx9B1 MET 84 HE3 0.27 0.00 -0.17 -0.04 2.10 2.16 2nx9B1 LEU 85 H 0.02 0.34 0.28 -0.55 8.37 8.46 2nx9B1 LEU 85 HA 0.06 0.31 0.95 -0.75 4.35 4.91 2nx9B1 LEU 85 HB2 -0.07 0.01 0.01 -0.04 1.64 1.54 2nx9B1 LEU 85 HB3 -0.01 -0.17 0.15 -0.04 1.64 1.57 2nx9B1 LEU 85 HG 0.20 0.01 -0.23 -0.04 1.64 1.58 2nx9B1 LEU 85 HD13 -0.21 0.07 -0.05 -0.04 0.93 0.69 2nx9B1 LEU 85 HD23 -0.19 -0.02 -0.06 -0.04 0.89 0.57 2nx9B1 LEU 86 H 0.21 0.76 0.24 -0.55 8.37 9.04 2nx9B1 LEU 86 HA 0.04 0.13 0.80 -0.75 4.35 4.57 2nx9B1 LEU 86 HB2 0.25 0.02 -0.29 -0.04 1.64 1.58 2nx9B1 LEU 86 HB3 0.20 0.00 -0.04 -0.04 1.64 1.77 2nx9B1 LEU 86 HG -0.03 -0.01 -0.16 -0.04 1.64 1.40 2nx9B1 LEU 86 HD13 -0.12 0.01 -0.11 -0.04 0.93 0.66 2nx9B1 LEU 86 HD23 0.27 0.01 -0.11 -0.04 0.89 1.02 2nx9B1 ARG 87 H -0.12 0.49 0.08 -0.55 8.46 8.36 2nx9B1 ARG 87 HA -0.90 0.09 0.58 -0.75 4.34 3.35 2nx9B1 ARG 87 HB2 -0.25 -0.03 0.06 -0.04 1.90 1.64 2nx9B1 ARG 87 HB3 -0.29 0.13 0.10 -0.04 1.80 1.70 2nx9B1 ARG 87 HG2 -0.46 -0.08 0.11 -0.04 1.67 1.20 2nx9B1 ARG 87 HG3 -1.49 -0.04 -0.05 -0.04 1.67 0.05 2nx9B1 ARG 87 HD2 -0.15 -0.06 0.03 -0.04 3.22 3.00 2nx9B1 ARG 87 HD3 -0.01 -0.00 -0.04 -0.04 3.22 3.13 2nx9B1 GLY 88 H -0.13 0.28 -0.20 -0.55 8.43 7.83 2nx9B1 GLY 88 HA2 -0.08 -0.01 0.36 -0.51 4.01 3.76 2nx9B1 GLY 88 HA3 -0.17 0.08 0.39 -0.51 4.01 3.80 2nx9B1 GLN 89 H -0.22 0.26 0.34 -0.55 8.47 8.31 2nx9B1 GLN 89 HA -0.13 0.01 0.39 -0.75 4.36 3.87 2nx9B1 GLN 89 HB2 -0.20 0.09 0.31 -0.04 2.15 2.31 2nx9B1 GLN 89 HB3 -0.64 0.03 0.14 -0.04 2.02 1.50 2nx9B1 GLN 89 HG2 -0.00 -0.03 0.11 -0.04 2.40 2.43 2nx9B1 GLN 89 HG3 -0.08 -0.06 0.22 -0.04 2.39 2.43 2nx9B1 GLN 89 HE21 -0.00 -0.11 -0.01 -0.04 6.97 6.80 2nx9B1 GLN 89 HE22 0.01 0.44 0.10 -0.04 7.69 8.20 2nx9B1 ASN 90 H -0.29 0.45 -0.28 -0.55 8.53 7.87 2nx9B1 ASN 90 HA -0.13 0.33 0.44 -0.75 4.76 4.65 2nx9B1 ASN 90 HB2 -0.25 0.16 0.02 -0.04 2.88 2.78 2nx9B1 ASN 90 HB3 -0.17 0.10 -0.05 -0.04 2.79 2.63 2nx9B1 ASN 90 HD21 -0.06 -0.03 -0.15 -0.04 7.03 6.74 2nx9B1 ASN 90 HD22 -0.12 0.08 -0.24 -0.04 7.74 7.42 2nx9B1 LEU 91 H -0.22 0.37 -0.70 -0.55 8.37 7.28 2nx9B1 LEU 91 HA -0.33 0.03 0.16 -0.75 4.35 3.45 2nx9B1 LEU 91 HB2 -0.63 0.07 0.00 -0.04 1.64 1.04 2nx9B1 LEU 91 HB3 -1.00 -0.07 0.14 -0.04 1.64 0.68 2nx9B1 LEU 91 HG -0.29 0.09 -0.15 -0.04 1.64 1.26 2nx9B1 LEU 91 HD13 -0.48 -0.01 -0.18 -0.04 0.93 0.22 2nx9B1 LEU 91 HD23 -0.32 0.00 -0.01 -0.04 0.89 0.52 2nx9B1 LEU 92 H -0.63 0.11 0.17 -0.55 8.37 7.48 2nx9B1 LEU 92 HA -0.23 0.14 0.86 -0.75 4.35 4.37 2nx9B1 LEU 92 HB2 -0.57 0.00 0.09 -0.04 1.64 1.13 2nx9B1 LEU 92 HB3 -0.23 0.02 0.22 -0.04 1.64 1.61 2nx9B1 LEU 92 HG -0.46 -0.06 -0.05 -0.04 1.64 1.02 2nx9B1 LEU 92 HD13 -0.43 -0.02 0.03 -0.04 0.93 0.47 2nx9B1 LEU 92 HD23 -0.15 0.07 0.10 -0.04 0.89 0.87 2nx9B1 GLY 93 H -0.27 0.60 0.05 -0.55 8.43 8.26 2nx9B1 GLY 93 HA2 -0.45 0.22 0.72 -0.51 4.01 3.99 2nx9B1 GLY 93 HA3 -0.08 -0.05 0.41 -0.51 4.01 3.78 2nx9B1 TYR 94 H -0.09 0.20 0.19 -0.55 8.29 8.04 2nx9B1 TYR 94 HA -0.10 0.12 0.44 -0.75 4.56 4.27 2nx9B1 TYR 94 HB2 -0.08 -0.03 0.14 -0.04 3.06 3.05 2nx9B1 TYR 94 HB3 -0.13 0.03 0.08 -0.04 2.98 2.92 2nx9B1 TYR 94 HD2 -0.12 0.10 0.02 -0.04 7.15 7.11 2nx9B1 TYR 94 HE2 -0.04 0.07 -0.05 -0.04 6.85 6.79 2nx9B1 ARG 95 H -0.47 0.27 -0.09 -0.55 8.46 7.62 2nx9B1 ARG 95 HA -0.23 0.09 0.56 -0.75 4.34 4.00 2nx9B1 ARG 95 HB2 -0.38 -0.02 0.11 -0.04 1.90 1.57 2nx9B1 ARG 95 HB3 -0.47 0.09 -0.21 -0.04 1.80 1.17 2nx9B1 ARG 95 HG2 -1.79 -0.12 -0.16 -0.04 1.67 -0.45 2nx9B1 ARG 95 HG3 -1.20 0.09 -0.50 -0.04 1.67 0.02 2nx9B1 ARG 95 HD2 -0.43 0.07 -0.03 -0.04 3.22 2.79 2nx9B1 ARG 95 HD3 -0.40 -0.02 -0.06 -0.04 3.22 2.70 2nx9B1 HIS 96 H -0.06 0.14 0.09 -0.55 8.41 8.04 2nx9B1 HIS 96 HA -0.17 0.04 0.41 -0.75 4.63 4.16 2nx9B1 HIS 96 HB2 -0.21 0.02 0.10 -0.04 3.26 3.13 2nx9B1 HIS 96 HB3 -0.14 0.03 -0.06 -0.04 3.20 2.99 2nx9B1 HIS 96 HD2 -0.22 -0.05 -0.01 -0.04 6.97 6.64 2nx9B1 HIS 96 HE1 -0.06 -0.02 0.07 -0.04 7.75 7.70 2nx9B1 TYR 97 H 0.01 0.44 0.23 -0.55 8.29 8.42 2nx9B1 TYR 97 HA -0.11 0.19 0.83 -0.75 4.56 4.71 2nx9B1 TYR 97 HB2 -0.14 0.08 0.06 -0.04 3.06 3.01 2nx9B1 TYR 97 HB3 -0.09 -0.15 0.09 -0.04 2.98 2.79 2nx9B1 TYR 97 HD2 -0.18 0.03 -0.02 -0.04 7.15 6.93 2nx9B1 TYR 97 HE2 -0.25 0.08 -0.08 -0.04 6.85 6.56 2nx9B1 ALA 98 H 0.10 0.10 0.14 -0.55 8.40 8.19 2nx9B1 ALA 98 HA 0.02 0.25 0.61 -0.75 4.34 4.47 2nx9B1 ALA 98 HB3 0.03 0.01 0.03 -0.04 1.41 1.44 2nx9B1 ASP 99 H 0.01 0.35 0.19 -0.55 8.40 8.41 2nx9B1 ASP 99 HA 0.01 0.05 0.38 -0.75 4.63 4.32 2nx9B1 ASP 99 HB2 0.01 0.02 0.13 -0.04 2.71 2.83 2nx9B1 ASP 99 HB3 0.01 0.05 0.01 -0.04 2.70 2.73 2nx9B1 ASP 100 H 0.02 0.08 -0.26 -0.55 8.40 7.69 2nx9B1 ASP 100 HA 0.02 0.17 0.40 -0.75 4.63 4.45 2nx9B1 ASP 100 HB2 0.02 0.09 0.07 -0.04 2.71 2.85 2nx9B1 ASP 100 HB3 0.01 0.10 0.09 -0.04 2.70 2.86 2nx9B1 VAL 101 H 0.04 0.25 -0.17 -0.55 8.24 7.80 2nx9B1 VAL 101 HA 0.03 0.06 0.53 -0.75 4.13 4.00 2nx9B1 VAL 101 HB 0.05 0.18 0.11 -0.04 2.12 2.41 2nx9B1 VAL 101 HG13 -0.15 0.02 -0.09 -0.04 0.97 0.71 2nx9B1 VAL 101 HG23 0.08 -0.03 0.06 -0.04 0.95 1.02 2nx9B1 VAL 102 H 0.02 0.38 -0.14 -0.55 8.24 7.94 2nx9B1 VAL 102 HA 0.00 0.02 0.36 -0.75 4.13 3.77 2nx9B1 VAL 102 HB 0.00 0.10 0.09 -0.04 2.12 2.27 2nx9B1 VAL 102 HG13 -0.01 -0.01 -0.27 -0.04 0.97 0.64 2nx9B1 VAL 102 HG23 -0.04 0.01 -0.08 -0.04 0.95 0.80 2nx9B1 ASP 103 H 0.03 0.68 -0.07 -0.55 8.40 8.49 2nx9B1 ASP 103 HA 0.02 0.05 0.29 -0.75 4.63 4.24 2nx9B1 ASP 103 HB2 0.02 0.01 0.11 -0.04 2.71 2.81 2nx9B1 ASP 103 HB3 0.01 0.03 -0.03 -0.04 2.70 2.67 2nx9B1 THR 104 H 0.06 0.29 -0.47 -0.55 8.28 7.61 2nx9B1 THR 104 HA 0.02 0.05 0.35 -0.75 4.39 4.06 2nx9B1 THR 104 HB 0.06 0.03 0.21 -0.04 4.32 4.57 2nx9B1 THR 104 HG23 -0.00 -0.02 -0.12 -0.04 1.22 1.04 2nx9B1 PHE 105 H 0.23 0.72 -0.05 -0.55 8.34 8.68 2nx9B1 PHE 105 HA 0.22 -0.01 0.41 -0.75 4.62 4.49 2nx9B1 PHE 105 HB2 0.05 0.03 0.10 -0.04 3.15 3.29 2nx9B1 PHE 105 HB3 0.07 0.11 0.14 -0.04 3.06 3.33 2nx9B1 PHE 105 HD2 0.27 0.04 -0.15 -0.04 7.28 7.40 2nx9B1 PHE 105 HE2 0.13 0.01 -0.09 -0.04 7.38 7.39 2nx9B1 PHE 105 HZ -0.17 -0.03 -0.05 -0.04 7.32 7.03 2nx9B1 VAL 106 H 0.23 0.56 -0.21 -0.55 8.24 8.27 2nx9B1 VAL 106 HA 0.24 -0.03 0.25 -0.75 4.13 3.83 2nx9B1 VAL 106 HB -0.00 0.12 0.01 -0.04 2.12 2.21 2nx9B1 VAL 106 HG13 -0.41 0.00 -0.27 -0.04 0.97 0.25 2nx9B1 VAL 106 HG23 0.09 0.05 -0.02 -0.04 0.95 1.03 2nx9B1 GLU 107 H 0.04 0.46 -0.19 -0.55 8.60 8.36 2nx9B1 GLU 107 HA 0.00 0.10 0.38 -0.75 4.29 4.02 2nx9B1 GLU 107 HB2 -0.00 0.05 0.10 -0.04 2.09 2.19 2nx9B1 GLU 107 HB3 -0.00 0.04 0.13 -0.04 1.99 2.12 2nx9B1 GLU 107 HG2 -0.03 -0.04 -0.29 -0.04 2.34 1.94 2nx9B1 GLU 107 HG3 -0.01 0.04 0.03 -0.04 2.34 2.35 2nx9B1 ARG 108 H -0.01 0.46 -0.30 -0.55 8.46 8.06 2nx9B1 ARG 108 HA -0.09 0.05 0.54 -0.75 4.34 4.10 2nx9B1 ARG 108 HB2 -0.18 0.11 0.16 -0.04 1.90 1.94 2nx9B1 ARG 108 HB3 -0.52 -0.11 -0.01 -0.04 1.80 1.12 2nx9B1 ARG 108 HG2 -0.12 0.03 -0.04 -0.04 1.67 1.51 2nx9B1 ARG 108 HG3 -0.22 -0.06 -0.09 -0.04 1.67 1.25 2nx9B1 ARG 108 HD2 -0.24 -0.14 -0.09 -0.04 3.22 2.71 2nx9B1 ARG 108 HD3 -0.41 -0.04 -0.03 -0.04 3.22 2.70 2nx9B1 ALA 109 H 0.07 0.76 -0.02 -0.55 8.40 8.66 2nx9B1 ALA 109 HA 0.08 -0.04 0.43 -0.75 4.34 4.06 2nx9B1 ALA 109 HB3 0.28 0.01 0.02 -0.04 1.41 1.68 2nx9B1 VAL 110 H 0.15 0.53 -0.22 -0.55 8.24 8.14 2nx9B1 VAL 110 HA 0.13 0.21 0.45 -0.75 4.13 4.17 2nx9B1 VAL 110 HB 0.06 0.04 0.13 -0.04 2.12 2.31 2nx9B1 VAL 110 HG13 0.05 0.05 -0.09 -0.04 0.97 0.94 2nx9B1 VAL 110 HG23 0.19 0.05 -0.03 -0.04 0.95 1.12 2nx9B1 LYS 111 H 0.01 0.45 -0.10 -0.55 8.42 8.23 2nx9B1 LYS 111 HA -0.01 0.12 0.46 -0.75 4.32 4.13 2nx9B1 LYS 111 HB2 -0.04 -0.01 0.13 -0.04 1.87 1.91 2nx9B1 LYS 111 HB3 -0.04 -0.07 0.07 -0.04 1.79 1.71 2nx9B1 LYS 111 HG2 -0.01 0.07 0.08 -0.04 1.46 1.55 2nx9B1 LYS 111 HG3 -0.03 -0.10 0.01 -0.04 1.46 1.30 2nx9B1 LYS 111 HD2 -0.02 -0.04 0.04 -0.04 1.69 1.62 2nx9B1 LYS 111 HD3 -0.01 0.06 0.01 -0.04 1.68 1.70 2nx9B1 LYS 111 HE2 -0.01 0.03 0.00 -0.04 2.99 2.97 2nx9B1 LYS 111 HE3 -0.02 -0.07 -0.00 -0.04 2.99 2.85 2nx9B1 ASN 112 H -0.02 0.28 -0.44 -0.55 8.53 7.80 2nx9B1 ASN 112 HA -0.05 0.09 0.78 -0.75 4.76 4.83 2nx9B1 ASN 112 HB2 -0.05 0.06 0.11 -0.04 2.88 2.97 2nx9B1 ASN 112 HB3 -0.08 -0.07 0.03 -0.04 2.79 2.63 2nx9B1 ASN 112 HD21 -0.16 -0.20 -0.03 -0.04 7.03 6.60 2nx9B1 ASN 112 HD22 0.24 0.12 -0.12 -0.04 7.74 7.94 2nx9B1 GLY 113 H -0.08 0.14 -0.15 -0.55 8.43 7.80 2nx9B1 GLY 113 HA2 -0.07 0.12 0.12 -0.51 4.01 3.67 2nx9B1 GLY 113 HA3 -0.12 0.12 0.80 -0.51 4.01 4.31 2nx9B1 MET 114 H -0.11 0.49 0.24 -0.55 8.47 8.55 2nx9B1 MET 114 HA -0.19 0.00 0.55 -0.75 4.52 4.13 2nx9B1 MET 114 HB2 -0.28 -0.01 -0.07 -0.04 2.15 1.74 2nx9B1 MET 114 HB3 0.04 -0.05 -0.38 -0.04 2.03 1.60 2nx9B1 MET 114 HG2 -0.65 -0.11 -0.22 -0.04 2.63 1.61 2nx9B1 MET 114 HG3 -1.16 0.04 -0.38 -0.04 2.56 1.02 2nx9B1 MET 114 HE3 -0.16 0.01 -0.25 -0.04 2.10 1.66 2nx9B1 ASP 115 H -0.13 0.18 0.21 -0.55 8.40 8.11 2nx9B1 ASP 115 HA 0.08 0.25 0.95 -0.75 4.63 5.16 2nx9B1 ASP 115 HB2 -0.11 -0.01 0.22 -0.04 2.71 2.78 2nx9B1 ASP 115 HB3 -0.05 0.01 0.09 -0.04 2.70 2.71 2nx9B1 VAL 116 H -0.13 0.42 0.34 -0.55 8.24 8.32 2nx9B1 VAL 116 HA 0.26 0.25 1.05 -0.75 4.13 4.94 2nx9B1 VAL 116 HB -0.04 -0.13 0.02 -0.04 2.12 1.93 2nx9B1 VAL 116 HG13 0.19 -0.02 -0.26 -0.04 0.97 0.84 2nx9B1 VAL 116 HG23 -0.31 0.03 -0.21 -0.04 0.95 0.42 2nx9B1 PHE 117 H 0.48 0.85 0.24 -0.55 8.34 9.36 2nx9B1 PHE 117 HA 0.14 0.09 0.93 -0.75 4.62 5.03 2nx9B1 PHE 117 HB2 0.13 0.06 0.09 -0.04 3.15 3.39 2nx9B1 PHE 117 HB3 0.14 -0.08 -0.13 -0.04 3.06 2.95 2nx9B1 PHE 117 HD2 0.17 0.01 -0.29 -0.04 7.28 7.13 2nx9B1 PHE 117 HE2 0.17 0.07 -0.31 -0.04 7.38 7.27 2nx9B1 PHE 117 HZ 0.08 0.03 -0.23 -0.04 7.32 7.16 2nx9B1 ARG 118 H 0.11 0.55 0.19 -0.55 8.46 8.76 2nx9B1 ARG 118 HA 0.14 0.27 0.82 -0.75 4.34 4.81 2nx9B1 ARG 118 HB2 -0.00 -0.01 0.02 -0.04 1.90 1.86 2nx9B1 ARG 118 HB3 0.02 -0.04 0.26 -0.04 1.80 1.99 2nx9B1 ARG 118 HG2 0.00 -0.07 -0.31 -0.04 1.67 1.25 2nx9B1 ARG 118 HG3 -0.00 0.10 -0.16 -0.04 1.67 1.56 2nx9B1 ARG 118 HD2 -0.19 -0.07 -0.13 -0.04 3.22 2.79 2nx9B1 ARG 118 HD3 -0.22 -0.05 -0.19 -0.04 3.22 2.72 2nx9B1 VAL 119 H 0.16 0.85 0.30 -0.55 8.24 9.00 2nx9B1 VAL 119 HA 0.18 0.21 0.77 -0.75 4.13 4.54 2nx9B1 VAL 119 HB 0.11 0.02 0.10 -0.04 2.12 2.30 2nx9B1 VAL 119 HG13 0.03 -0.04 0.02 -0.04 0.97 0.95 2nx9B1 VAL 119 HG23 0.18 0.05 -0.21 -0.04 0.95 0.93 2nx9B1 PHE 120 H 0.10 0.53 0.44 -0.55 8.34 8.86 2nx9B1 PHE 120 HA 0.03 0.20 0.91 -0.75 4.62 5.01 2nx9B1 PHE 120 HB2 0.03 -0.02 -0.05 -0.04 3.15 3.06 2nx9B1 PHE 120 HB3 0.01 0.04 -0.37 -0.04 3.06 2.70 2nx9B1 PHE 120 HD2 0.01 0.05 -0.28 -0.04 7.28 7.02 2nx9B1 PHE 120 HE2 -0.01 0.02 -0.19 -0.04 7.38 7.16 2nx9B1 PHE 120 HZ -0.02 0.04 -0.10 -0.04 7.32 7.20 2nx9B1 ASP 121 H 0.17 0.32 0.12 -0.55 8.40 8.46 2nx9B1 ASP 121 HA -0.29 0.18 0.52 -0.75 4.63 4.28 2nx9B1 ASP 121 HB2 -0.07 0.09 -0.05 -0.04 2.71 2.64 2nx9B1 ASP 121 HB3 0.03 0.00 0.04 -0.04 2.70 2.74 2nx9B1 ALA 122 H -0.03 0.24 0.08 -0.55 8.40 8.15 2nx9B1 ALA 122 HA 0.23 0.06 0.19 -0.75 4.34 4.06 2nx9B1 ALA 122 HB3 0.11 0.05 -0.02 -0.04 1.41 1.51 2nx9B1 MET 123 H 0.08 -0.07 -0.42 -0.55 8.47 7.51 2nx9B1 MET 123 HA 0.09 0.27 0.85 -0.75 4.52 4.97 2nx9B1 MET 123 HB2 0.07 -0.14 -0.04 -0.04 2.15 2.00 2nx9B1 MET 123 HB3 0.06 0.26 0.02 -0.04 2.03 2.33 2nx9B1 MET 123 HG2 0.04 0.06 -0.12 -0.04 2.63 2.56 2nx9B1 MET 123 HG3 0.06 -0.11 -0.16 -0.04 2.56 2.32 2nx9B1 MET 123 HE3 -0.10 -0.00 -0.05 -0.04 2.10 1.90 2nx9B1 ASN 124 H 0.12 0.32 -0.15 -0.55 8.53 8.27 2nx9B1 ASN 124 HA 0.13 0.01 0.32 -0.75 4.76 4.46 2nx9B1 ASN 124 HB2 0.13 0.34 0.19 -0.04 2.88 3.50 2nx9B1 ASN 124 HB3 0.16 -0.04 0.27 -0.04 2.79 3.14 2nx9B1 ASN 124 HD21 0.39 0.41 0.07 -0.04 7.03 7.85 2nx9B1 ASN 124 HD22 0.25 0.08 -0.07 -0.04 7.74 7.95 2nx9B1 ASP 125 H 0.07 -0.05 -0.23 -0.55 8.40 7.64 2nx9B1 ASP 125 HA 0.04 0.23 0.77 -0.75 4.63 4.92 2nx9B1 ASP 125 HB2 0.05 0.26 0.03 -0.04 2.71 3.01 2nx9B1 ASP 125 HB3 0.05 -0.08 0.18 -0.04 2.70 2.80 2nx9B1 VAL 126 H 0.04 0.36 0.13 -0.55 8.24 8.23 2nx9B1 VAL 126 HA 0.04 0.04 0.23 -0.75 4.13 3.69 2nx9B1 VAL 126 HB 0.03 0.03 0.08 -0.04 2.12 2.22 2nx9B1 VAL 126 HG13 0.04 0.02 -0.10 -0.04 0.97 0.88 2nx9B1 VAL 126 HG23 0.06 0.06 0.05 -0.04 0.95 1.08 2nx9B1 ARG 127 H 0.02 0.14 -0.24 -0.55 8.46 7.83 2nx9B1 ARG 127 HA 0.01 0.13 0.43 -0.75 4.34 4.15 2nx9B1 ARG 127 HB2 0.02 0.01 0.01 -0.04 1.90 1.91 2nx9B1 ARG 127 HB3 0.02 -0.00 0.08 -0.04 1.80 1.86 2nx9B1 ARG 127 HG2 0.01 0.07 0.04 -0.04 1.67 1.75 2nx9B1 ARG 127 HG3 0.02 -0.05 0.04 -0.04 1.67 1.64 2nx9B1 ARG 127 HD2 0.01 -0.02 0.02 -0.04 3.22 3.19 2nx9B1 ARG 127 HD3 0.01 0.10 0.01 -0.04 3.22 3.29 2nx9B1 ASN 128 H 0.02 0.37 -0.22 -0.55 8.53 8.15 2nx9B1 ASN 128 HA -0.01 0.08 0.70 -0.75 4.76 4.77 2nx9B1 ASN 128 HB2 -0.02 0.13 0.12 -0.04 2.88 3.07 2nx9B1 ASN 128 HB3 -0.10 -0.10 0.18 -0.04 2.79 2.73 2nx9B1 ASN 128 HD21 0.11 0.25 0.20 -0.04 7.03 7.54 2nx9B1 ASN 128 HD22 0.05 -0.16 0.11 -0.04 7.74 7.71 2nx9B1 MET 129 H 0.00 0.31 -0.28 -0.55 8.47 7.95 2nx9B1 MET 129 HA -0.03 0.01 0.59 -0.75 4.52 4.33 2nx9B1 MET 129 HB2 0.03 0.20 0.09 -0.04 2.15 2.43 2nx9B1 MET 129 HB3 0.03 0.01 -0.03 -0.04 2.03 2.00 2nx9B1 MET 129 HG2 0.00 -0.02 -0.38 -0.04 2.63 2.19 2nx9B1 MET 129 HG3 0.01 -0.03 -0.25 -0.04 2.56 2.25 2nx9B1 MET 129 HE3 0.08 0.02 -0.17 -0.04 2.10 2.00 2nx9B1 GLN 130 H 0.00 0.23 -0.15 -0.55 8.47 8.01 2nx9B1 GLN 130 HA 0.01 0.09 0.27 -0.75 4.36 3.98 2nx9B1 GLN 130 HB2 0.01 0.07 0.14 -0.04 2.15 2.32 2nx9B1 GLN 130 HB3 0.00 0.01 0.12 -0.04 2.02 2.12 2nx9B1 GLN 130 HG2 0.00 -0.01 -0.15 -0.04 2.40 2.20 2nx9B1 GLN 130 HG3 0.01 0.05 0.03 -0.04 2.39 2.44 2nx9B1 GLN 130 HE21 0.01 0.01 -0.01 -0.04 6.97 6.94 2nx9B1 GLN 130 HE22 0.01 0.04 -0.02 -0.04 7.69 7.68 2nx9B1 GLN 131 H -0.01 0.16 -0.16 -0.55 8.47 7.92 2nx9B1 GLN 131 HA -0.01 0.12 0.35 -0.75 4.36 4.07 2nx9B1 GLN 131 HB2 -0.01 0.04 0.08 -0.04 2.15 2.22 2nx9B1 GLN 131 HB3 -0.02 -0.03 0.01 -0.04 2.02 1.94 2nx9B1 GLN 131 HG2 -0.00 -0.08 0.03 -0.04 2.40 2.30 2nx9B1 GLN 131 HG3 -0.00 0.01 -0.13 -0.04 2.39 2.22 2nx9B1 GLN 131 HE21 -0.00 0.06 -0.02 -0.04 6.97 6.97 2nx9B1 GLN 131 HE22 -0.00 -0.01 -0.02 -0.04 7.69 7.62 2nx9B1 ALA 132 H -0.02 0.12 -0.26 -0.55 8.40 7.70 2nx9B1 ALA 132 HA -0.02 0.05 0.36 -0.75 4.34 3.97 2nx9B1 ALA 132 HB3 -0.00 0.03 0.01 -0.04 1.41 1.41 2nx9B1 LEU 133 H 0.00 0.55 -0.11 -0.55 8.37 8.27 2nx9B1 LEU 133 HA 0.00 -0.02 0.31 -0.75 4.35 3.89 2nx9B1 LEU 133 HB2 0.01 0.09 0.07 -0.04 1.64 1.77 2nx9B1 LEU 133 HB3 0.02 0.06 -0.05 -0.04 1.64 1.63 2nx9B1 LEU 133 HG 0.04 -0.01 0.01 -0.04 1.64 1.64 2nx9B1 LEU 133 HD13 0.04 -0.02 -0.17 -0.04 0.93 0.73 2nx9B1 LEU 133 HD23 0.07 0.00 -0.15 -0.04 0.89 0.77 2nx9B1 GLN 134 H -0.01 0.58 -0.12 -0.55 8.47 8.38 2nx9B1 GLN 134 HA -0.01 0.10 0.35 -0.75 4.36 4.04 2nx9B1 GLN 134 HB2 -0.01 0.21 0.17 -0.04 2.15 2.48 2nx9B1 GLN 134 HB3 -0.01 -0.02 0.03 -0.04 2.02 1.98 2nx9B1 GLN 134 HG2 -0.01 -0.03 0.00 -0.04 2.40 2.32 2nx9B1 GLN 134 HG3 -0.00 0.07 0.07 -0.04 2.39 2.49 2nx9B1 GLN 134 HE21 0.00 -0.06 -0.01 -0.04 6.97 6.86 2nx9B1 GLN 134 HE22 0.00 0.09 0.03 -0.04 7.69 7.78 2nx9B1 ALA 135 H -0.03 0.48 -0.24 -0.55 8.40 8.06 2nx9B1 ALA 135 HA -0.03 0.02 0.40 -0.75 4.34 3.97 2nx9B1 ALA 135 HB3 -0.03 -0.01 0.05 -0.04 1.41 1.37 2nx9B1 VAL 136 H -0.11 0.61 -0.15 -0.55 8.24 8.03 2nx9B1 VAL 136 HA -0.31 -0.02 0.34 -0.75 4.13 3.38 2nx9B1 VAL 136 HB -0.08 0.16 0.09 -0.04 2.12 2.25 2nx9B1 VAL 136 HG13 -0.04 0.04 -0.56 -0.04 0.97 0.38 2nx9B1 VAL 136 HG23 -0.47 0.06 -0.10 -0.04 0.95 0.41 2nx9B1 LYS 137 H -0.04 0.56 -0.06 -0.55 8.42 8.32 2nx9B1 LYS 137 HA -0.01 0.12 0.41 -0.75 4.32 4.09 2nx9B1 LYS 137 HB2 -0.02 0.12 0.17 -0.04 1.87 2.10 2nx9B1 LYS 137 HB3 -0.01 -0.01 0.03 -0.04 1.79 1.75 2nx9B1 LYS 137 HG2 -0.02 0.01 0.07 -0.04 1.46 1.48 2nx9B1 LYS 137 HG3 -0.02 0.03 0.07 -0.04 1.46 1.50 2nx9B1 LYS 137 HD2 -0.00 -0.01 -0.16 -0.04 1.69 1.47 2nx9B1 LYS 137 HD3 -0.01 -0.10 -0.05 -0.04 1.68 1.49 2nx9B1 LYS 137 HE2 -0.00 0.06 0.06 -0.04 2.99 3.07 2nx9B1 LYS 137 HE3 -0.00 -0.08 0.02 -0.04 2.99 2.89 2nx9B1 LYS 138 H -0.03 0.44 -0.17 -0.55 8.42 8.10 2nx9B1 LYS 138 HA -0.01 0.02 0.40 -0.75 4.32 3.98 2nx9B1 LYS 138 HB2 -0.01 -0.06 0.10 -0.04 1.87 1.86 2nx9B1 LYS 138 HB3 -0.02 0.08 0.18 -0.04 1.79 1.98 2nx9B1 LYS 138 HG2 -0.02 -0.01 -0.07 -0.04 1.46 1.32 2nx9B1 LYS 138 HG3 -0.01 0.03 -0.31 -0.04 1.46 1.13 2nx9B1 LYS 138 HD2 -0.01 -0.04 -0.01 -0.04 1.69 1.60 2nx9B1 LYS 138 HD3 -0.01 -0.06 -0.03 -0.04 1.68 1.54 2nx9B1 LYS 138 HE2 -0.01 -0.00 -0.00 -0.04 2.99 2.94 2nx9B1 LYS 138 HE3 -0.01 0.05 0.04 -0.04 2.99 3.04 2nx9B1 MET 139 H -0.04 0.38 -0.31 -0.55 8.47 7.96 2nx9B1 MET 139 HA -0.01 0.03 0.54 -0.75 4.52 4.33 2nx9B1 MET 139 HB2 -0.05 0.10 0.09 -0.04 2.15 2.25 2nx9B1 MET 139 HB3 0.00 -0.04 0.08 -0.04 2.03 2.03 2nx9B1 MET 139 HG2 -0.05 0.25 0.02 -0.04 2.63 2.81 2nx9B1 MET 139 HG3 -0.04 -0.10 -0.16 -0.04 2.56 2.22 2nx9B1 MET 139 HE3 -0.00 0.01 0.05 -0.04 2.10 2.12 2nx9B1 GLY 140 H -0.00 0.47 -0.37 -0.55 8.43 7.98 2nx9B1 GLY 140 HA2 0.02 0.05 0.33 -0.51 4.01 3.89 2nx9B1 GLY 140 HA3 0.02 0.02 0.56 -0.51 4.01 4.10 2nx9B1 ALA 141 H 0.02 0.26 -0.13 -0.55 8.40 8.00 2nx9B1 ALA 141 HA 0.12 0.18 0.72 -0.75 4.34 4.61 2nx9B1 ALA 141 HB3 0.19 0.01 -0.05 -0.04 1.41 1.51 2nx9B1 HIS 142 H 0.29 0.72 0.32 -0.55 8.41 9.19 2nx9B1 HIS 142 HA 0.12 0.15 0.69 -0.75 4.63 4.84 2nx9B1 HIS 142 HB2 0.10 0.11 0.03 -0.04 3.26 3.46 2nx9B1 HIS 142 HB3 0.15 -0.08 0.19 -0.04 3.20 3.41 2nx9B1 HIS 142 HD2 0.26 -0.17 -0.66 -0.04 6.97 6.36 2nx9B1 HIS 142 HE1 0.38 0.09 -0.20 -0.04 7.75 7.99 2nx9B1 ALA 143 H -0.13 0.26 0.17 -0.55 8.40 8.14 2nx9B1 ALA 143 HA 0.19 0.15 0.81 -0.75 4.34 4.73 2nx9B1 ALA 143 HB3 0.01 0.01 0.10 -0.04 1.41 1.50 2nx9B1 GLN 144 H 0.28 0.64 0.25 -0.55 8.47 9.09 2nx9B1 GLN 144 HA 0.17 0.31 0.87 -0.75 4.36 4.95 2nx9B1 GLN 144 HB2 0.39 0.00 -0.18 -0.04 2.15 2.31 2nx9B1 GLN 144 HB3 0.19 -0.08 0.10 -0.04 2.02 2.19 2nx9B1 GLN 144 HG2 0.07 -0.06 -0.23 -0.04 2.40 2.14 2nx9B1 GLN 144 HG3 0.14 0.05 -0.44 -0.04 2.39 2.10 2nx9B1 GLN 144 HE21 0.08 -0.01 -0.28 -0.04 6.97 6.73 2nx9B1 GLN 144 HE22 0.19 0.05 -0.33 -0.04 7.69 7.56 2nx9B1 GLY 145 H 0.09 0.40 0.25 -0.55 8.43 8.63 2nx9B1 GLY 145 HA2 0.10 0.11 0.73 -0.51 4.01 4.44 2nx9B1 GLY 145 HA3 0.08 0.03 0.36 -0.51 4.01 3.97 2nx9B1 THR 146 H 0.12 0.18 0.27 -0.55 8.28 8.29 2nx9B1 THR 146 HA 0.07 0.27 0.99 -0.75 4.39 4.97 2nx9B1 THR 146 HB 0.21 -0.14 0.06 -0.04 4.32 4.41 2nx9B1 THR 146 HG23 0.02 -0.04 -0.33 -0.04 1.22 0.83 2nx9B1 LEU 147 H 0.07 0.78 0.34 -0.55 8.37 9.01 2nx9B1 LEU 147 HA 0.22 0.15 0.84 -0.75 4.35 4.80 2nx9B1 LEU 147 HB2 0.01 -0.09 0.21 -0.04 1.64 1.72 2nx9B1 LEU 147 HB3 0.23 0.02 -0.01 -0.04 1.64 1.85 2nx9B1 LEU 147 HG 0.10 0.07 -0.07 -0.04 1.64 1.70 2nx9B1 LEU 147 HD13 0.30 0.01 -0.01 -0.04 0.93 1.18 2nx9B1 LEU 147 HD23 0.20 0.00 -0.23 -0.04 0.89 0.82 2nx9B1 CYS 148 H 0.23 0.23 0.02 -0.55 8.50 8.44 2nx9B1 CYS 148 HA 0.07 0.12 0.87 -0.75 4.58 4.89 2nx9B1 CYS 148 HB2 0.19 0.07 0.09 -0.04 2.97 3.29 2nx9B1 CYS 148 HB3 0.12 0.03 -0.03 -0.04 2.97 3.05 2nx9B1 TYR 149 H 0.09 0.45 0.23 -0.55 8.29 8.51 2nx9B1 TYR 149 HA -0.37 0.09 0.29 -0.75 4.56 3.81 2nx9B1 TYR 149 HB2 -0.32 0.01 -0.04 -0.04 3.06 2.67 2nx9B1 TYR 149 HB3 -0.13 -0.14 0.03 -0.04 2.98 2.71 2nx9B1 TYR 149 HD2 -0.55 -0.08 -0.14 -0.04 7.15 6.34 2nx9B1 TYR 149 HE2 -0.14 0.01 -0.20 -0.04 6.85 6.48 2nx9B1 THR 150 H -0.51 0.31 0.21 -0.55 8.28 7.74 2nx9B1 THR 150 HA -0.29 0.02 0.46 -0.75 4.39 3.82 2nx9B1 THR 150 HB -0.09 0.07 -0.12 -0.04 4.32 4.14 2nx9B1 THR 150 HG23 -0.53 0.03 -0.17 -0.04 1.22 0.50 2nx9B1 THR 151 H -0.16 0.24 0.14 -0.55 8.28 7.94 2nx9B1 THR 151 HA -0.06 0.15 0.87 -0.75 4.39 4.59 2nx9B1 THR 151 HB -0.02 -0.00 0.10 -0.04 4.32 4.35 2nx9B1 THR 151 HG23 0.02 0.02 -0.11 -0.04 1.22 1.10 2nx9B1 SER 152 H -0.00 0.32 0.17 -0.55 8.46 8.41 2nx9B1 SER 152 HA -0.13 0.18 0.49 -0.75 4.49 4.28 2nx9B1 SER 152 HB2 -0.29 0.08 0.13 -0.04 3.95 3.83 2nx9B1 SER 152 HB3 0.05 0.04 -0.36 -0.04 3.93 3.61 2nx9B1 PRO 153 HA -0.15 0.13 0.56 -0.51 4.44 4.47 2nx9B1 PRO 153 HB2 -0.30 0.06 -0.02 -0.04 2.28 1.98 2nx9B1 PRO 153 HB3 -0.14 0.04 0.12 -0.04 2.02 2.00 2nx9B1 PRO 153 HG2 -0.31 0.07 0.07 -0.04 2.03 1.82 2nx9B1 PRO 153 HG3 -0.17 0.05 0.06 -0.04 2.03 1.93 2nx9B1 PRO 153 HD2 -1.94 0.11 0.17 -0.04 3.68 1.98 2nx9B1 PRO 153 HD3 -0.48 0.14 0.21 -0.04 3.65 3.49 2nx9B1 VAL 154 H -0.47 0.03 -0.31 -0.55 8.24 6.95 2nx9B1 VAL 154 HA -0.19 0.23 0.84 -0.75 4.13 4.25 2nx9B1 VAL 154 HB -0.20 0.06 0.04 -0.04 2.12 1.98 2nx9B1 VAL 154 HG13 -0.07 -0.00 -0.14 -0.04 0.97 0.71 2nx9B1 VAL 154 HG23 -0.28 -0.01 -0.21 -0.04 0.95 0.41 2nx9B1 HIS 155 H -0.12 0.18 -0.28 -0.55 8.41 7.64 2nx9B1 HIS 155 HA -0.41 0.15 0.86 -0.75 4.63 4.48 2nx9B1 HIS 155 HB2 -0.13 -0.14 0.06 -0.04 3.26 3.02 2nx9B1 HIS 155 HB3 -0.29 0.01 -0.02 -0.04 3.20 2.86 2nx9B1 HIS 155 HD2 -1.11 -0.03 -0.03 -0.04 6.97 5.75 2nx9B1 HIS 155 HE1 -0.01 0.44 0.01 -0.04 7.75 8.15 2nx9B1 ASN 156 H -0.37 0.22 0.20 -0.55 8.53 8.03 2nx9B1 ASN 156 HA 0.16 0.15 0.50 -0.75 4.76 4.81 2nx9B1 ASN 156 HB2 0.04 -0.12 0.15 -0.04 2.88 2.90 2nx9B1 ASN 156 HB3 -0.00 0.29 -0.11 -0.04 2.79 2.92 2nx9B1 ASN 156 HD21 -0.09 0.07 -0.15 -0.04 7.03 6.81 2nx9B1 ASN 156 HD22 -0.08 0.15 -0.36 -0.04 7.74 7.41 2nx9B1 LEU 157 H 0.14 0.24 0.15 -0.55 8.37 8.34 2nx9B1 LEU 157 HA 0.35 0.08 0.34 -0.75 4.35 4.36 2nx9B1 LEU 157 HB2 0.09 0.00 0.15 -0.04 1.64 1.84 2nx9B1 LEU 157 HB3 0.12 0.10 0.03 -0.04 1.64 1.85 2nx9B1 LEU 157 HG 0.15 -0.07 0.09 -0.04 1.64 1.78 2nx9B1 LEU 157 HD13 0.07 0.03 0.01 -0.04 0.93 1.00 2nx9B1 LEU 157 HD23 0.16 0.01 -0.08 -0.04 0.89 0.94 2nx9B1 GLN 158 H 0.04 0.12 -0.07 -0.55 8.47 8.02 2nx9B1 GLN 158 HA 0.05 0.13 0.43 -0.75 4.36 4.21 2nx9B1 GLN 158 HB2 0.01 0.08 0.07 -0.04 2.15 2.27 2nx9B1 GLN 158 HB3 0.01 0.00 0.10 -0.04 2.02 2.09 2nx9B1 GLN 158 HG2 -0.04 -0.12 -0.04 -0.04 2.40 2.16 2nx9B1 GLN 158 HG3 -0.04 0.05 -0.33 -0.04 2.39 2.03 2nx9B1 GLN 158 HE21 -0.03 0.03 -0.02 -0.04 6.97 6.91 2nx9B1 GLN 158 HE22 -0.05 0.02 -0.05 -0.04 7.69 7.57 2nx9B1 THR 159 H -0.08 0.05 -0.33 -0.55 8.28 7.38 2nx9B1 THR 159 HA -0.11 0.11 0.50 -0.75 4.39 4.13 2nx9B1 THR 159 HB -0.38 0.08 0.11 -0.04 4.32 4.09 2nx9B1 THR 159 HG23 -0.20 0.08 0.04 -0.04 1.22 1.10 2nx9B1 TRP 160 H -0.02 0.51 -0.01 -0.55 7.97 7.91 2nx9B1 TRP 160 HA 0.07 0.03 0.56 -0.75 4.62 4.54 2nx9B1 TRP 160 HB2 0.07 0.11 0.10 -0.04 3.23 3.47 2nx9B1 TRP 160 HB3 0.08 -0.02 0.00 -0.04 3.23 3.25 2nx9B1 TRP 160 HD1 0.10 -0.06 -0.33 -0.04 7.22 6.89 2nx9B1 TRP 160 HE1 0.09 0.02 -0.11 -0.04 10.20 10.16 2nx9B1 TRP 160 HE3 0.10 -0.01 0.02 -0.04 7.59 7.66 2nx9B1 TRP 160 HZ2 -0.36 0.23 0.10 -0.04 7.44 7.38 2nx9B1 TRP 160 HZ3 0.08 -0.00 -0.11 -0.04 7.13 7.06 2nx9B1 TRP 160 HH2 -0.16 0.15 0.03 -0.04 7.19 7.16 2nx9B1 VAL 161 H 0.19 0.57 -0.11 -0.55 8.24 8.34 2nx9B1 VAL 161 HA 0.13 0.03 0.41 -0.75 4.13 3.95 2nx9B1 VAL 161 HB 0.07 0.07 0.20 -0.04 2.12 2.42 2nx9B1 VAL 161 HG13 0.05 0.00 -0.14 -0.04 0.97 0.85 2nx9B1 VAL 161 HG23 0.10 0.09 -0.03 -0.04 0.95 1.08 2nx9B1 ASP 162 H 0.04 0.62 -0.09 -0.55 8.40 8.43 2nx9B1 ASP 162 HA 0.03 0.02 0.40 -0.75 4.63 4.32 2nx9B1 ASP 162 HB2 -0.02 0.15 0.24 -0.04 2.71 3.03 2nx9B1 ASP 162 HB3 -0.01 -0.04 0.03 -0.04 2.70 2.64 2nx9B1 VAL 163 H 0.07 0.48 -0.13 -0.55 8.24 8.11 2nx9B1 VAL 163 HA 0.06 0.00 0.44 -0.75 4.13 3.88 2nx9B1 VAL 163 HB 0.24 0.04 0.18 -0.04 2.12 2.54 2nx9B1 VAL 163 HG13 0.15 -0.03 -0.01 -0.04 0.97 1.04 2nx9B1 VAL 163 HG23 0.02 0.09 0.14 -0.04 0.95 1.16 2nx9B1 ALA 164 H 0.16 0.65 -0.06 -0.55 8.40 8.60 2nx9B1 ALA 164 HA 0.10 -0.05 0.38 -0.75 4.34 4.01 2nx9B1 ALA 164 HB3 0.11 0.03 0.06 -0.04 1.41 1.57 2nx9B1 GLN 165 H 0.07 0.85 -0.11 -0.55 8.47 8.73 2nx9B1 GLN 165 HA 0.04 0.01 0.53 -0.75 4.36 4.19 2nx9B1 GLN 165 HB2 0.04 0.14 0.15 -0.04 2.15 2.44 2nx9B1 GLN 165 HB3 0.03 -0.05 -0.02 -0.04 2.02 1.94 2nx9B1 GLN 165 HG2 0.04 0.03 -0.02 -0.04 2.40 2.41 2nx9B1 GLN 165 HG3 0.03 -0.03 -0.02 -0.04 2.39 2.33 2nx9B1 GLN 165 HE21 0.03 -0.04 0.07 -0.04 6.97 6.99 2nx9B1 GLN 165 HE22 0.03 0.17 0.10 -0.04 7.69 7.96 2nx9B1 GLN 166 H 0.05 0.66 -0.05 -0.55 8.47 8.58 2nx9B1 GLN 166 HA 0.03 0.01 0.47 -0.75 4.36 4.11 2nx9B1 GLN 166 HB2 0.05 0.19 0.25 -0.04 2.15 2.60 2nx9B1 GLN 166 HB3 0.03 -0.14 0.04 -0.04 2.02 1.91 2nx9B1 GLN 166 HG2 0.02 -0.05 0.06 -0.04 2.40 2.39 2nx9B1 GLN 166 HG3 0.03 0.26 0.08 -0.04 2.39 2.72 2nx9B1 GLN 166 HE21 0.01 -0.04 0.04 -0.04 6.97 6.94 2nx9B1 GLN 166 HE22 0.01 -0.01 0.03 -0.04 7.69 7.68 2nx9B1 LEU 167 H 0.06 0.49 -0.23 -0.55 8.37 8.14 2nx9B1 LEU 167 HA 0.04 -0.03 0.44 -0.75 4.35 4.05 2nx9B1 LEU 167 HB2 0.07 0.19 0.12 -0.04 1.64 1.98 2nx9B1 LEU 167 HB3 0.06 -0.05 -0.05 -0.04 1.64 1.56 2nx9B1 LEU 167 HG 0.08 0.09 -0.01 -0.04 1.64 1.75 2nx9B1 LEU 167 HD13 0.09 0.00 -0.21 -0.04 0.93 0.78 2nx9B1 LEU 167 HD23 0.06 -0.04 0.01 -0.04 0.89 0.88 2nx9B1 ALA 168 H 0.04 0.57 -0.09 -0.55 8.40 8.38 2nx9B1 ALA 168 HA 0.03 0.04 0.43 -0.75 4.34 4.09 2nx9B1 ALA 168 HB3 0.03 0.05 0.10 -0.04 1.41 1.55 2nx9B1 GLU 169 H 0.03 0.56 -0.18 -0.55 8.60 8.46 2nx9B1 GLU 169 HA 0.02 0.05 0.40 -0.75 4.29 4.00 2nx9B1 GLU 169 HB2 0.02 0.12 0.18 -0.04 2.09 2.36 2nx9B1 GLU 169 HB3 0.02 -0.06 0.02 -0.04 1.99 1.93 2nx9B1 GLU 169 HG2 0.01 -0.05 0.05 -0.04 2.34 2.31 2nx9B1 GLU 169 HG3 0.02 -0.00 0.04 -0.04 2.34 2.35 2nx9B1 LEU 170 H 0.02 0.25 -0.40 -0.55 8.37 7.69 2nx9B1 LEU 170 HA 0.01 0.04 0.59 -0.75 4.35 4.24 2nx9B1 LEU 170 HB2 0.02 0.15 0.12 -0.04 1.64 1.89 2nx9B1 LEU 170 HB3 0.02 -0.08 0.07 -0.04 1.64 1.60 2nx9B1 LEU 170 HG 0.02 0.18 0.05 -0.04 1.64 1.85 2nx9B1 LEU 170 HD13 0.02 -0.05 -0.02 -0.04 0.93 0.84 2nx9B1 LEU 170 HD23 0.01 -0.01 -0.01 -0.04 0.89 0.84 2nx9B1 GLY 171 H 0.02 0.50 -0.41 -0.55 8.43 7.99 2nx9B1 GLY 171 HA2 0.01 0.10 0.32 -0.51 4.01 3.93 2nx9B1 GLY 171 HA3 0.01 0.02 0.50 -0.51 4.01 4.03 2nx9B1 VAL 172 H 0.02 0.23 -0.01 -0.55 8.24 7.93 2nx9B1 VAL 172 HA -0.00 0.00 0.46 -0.75 4.13 3.84 2nx9B1 VAL 172 HB 0.04 0.08 0.24 -0.04 2.12 2.44 2nx9B1 VAL 172 HG13 0.04 -0.03 0.01 -0.04 0.97 0.95 2nx9B1 VAL 172 HG23 0.04 0.02 -0.26 -0.04 0.95 0.71 2nx9B1 ASP 173 H -0.09 0.49 0.42 -0.55 8.40 8.67 2nx9B1 ASP 173 HA -0.06 0.18 0.56 -0.75 4.63 4.55 2nx9B1 ASP 173 HB2 -0.85 -0.09 0.06 -0.04 2.71 1.80 2nx9B1 ASP 173 HB3 -0.45 0.01 0.07 -0.04 2.70 2.29 2nx9B1 SER 174 H 0.03 0.33 0.19 -0.55 8.46 8.46 2nx9B1 SER 174 HA 0.08 0.14 0.40 -0.75 4.49 4.35 2nx9B1 SER 174 HB2 0.11 -0.01 -0.08 -0.04 3.95 3.92 2nx9B1 SER 174 HB3 0.21 0.16 -0.03 -0.04 3.93 4.23 2nx9B1 ILE 175 H 0.06 0.70 0.19 -0.55 8.25 8.65 2nx9B1 ILE 175 HA 0.08 0.25 0.96 -0.75 4.18 4.71 2nx9B1 ILE 175 HB 0.05 0.07 0.03 -0.04 1.89 1.99 2nx9B1 ILE 175 HG12 0.07 -0.05 -0.11 -0.04 1.49 1.35 2nx9B1 ILE 175 HG13 0.06 -0.00 -0.50 -0.04 1.21 0.73 2nx9B1 ILE 175 HG23 0.06 -0.04 -0.27 -0.04 0.93 0.65 2nx9B1 ILE 175 HD13 0.06 0.00 -0.10 -0.04 0.88 0.81 2nx9B1 ALA 176 H 0.05 0.67 0.22 -0.55 8.40 8.80 2nx9B1 ALA 176 HA 0.03 0.23 0.98 -0.75 4.34 4.82 2nx9B1 ALA 176 HB3 -0.06 -0.03 -0.09 -0.04 1.41 1.20 2nx9B1 LEU 177 H -0.00 0.77 0.39 -0.55 8.37 8.98 2nx9B1 LEU 177 HA -0.04 0.18 0.92 -0.75 4.35 4.65 2nx9B1 LEU 177 HB2 -0.09 0.08 0.03 -0.04 1.64 1.62 2nx9B1 LEU 177 HB3 -0.08 -0.03 0.16 -0.04 1.64 1.65 2nx9B1 LEU 177 HG -0.21 -0.10 -0.17 -0.04 1.64 1.12 2nx9B1 LEU 177 HD13 -0.31 0.01 -0.04 -0.04 0.93 0.55 2nx9B1 LEU 177 HD23 -0.24 0.01 -0.08 -0.04 0.89 0.53 2nx9B1 LYS 178 H -0.02 0.62 0.28 -0.55 8.42 8.75 2nx9B1 LYS 178 HA 0.06 0.22 1.06 -0.75 4.32 4.90 2nx9B1 LYS 178 HB2 -0.09 0.04 -0.26 -0.04 1.87 1.53 2nx9B1 LYS 178 HB3 -0.04 0.01 0.07 -0.04 1.79 1.79 2nx9B1 LYS 178 HG2 -0.03 -0.13 -0.28 -0.04 1.46 0.98 2nx9B1 LYS 178 HG3 -0.15 0.02 -0.14 -0.04 1.46 1.15 2nx9B1 LYS 178 HD2 -0.45 0.00 -0.15 -0.04 1.69 1.05 2nx9B1 LYS 178 HD3 -0.32 0.05 -0.19 -0.04 1.68 1.18 2nx9B1 LYS 178 HE2 -0.40 -0.03 -0.11 -0.04 2.99 2.41 2nx9B1 LYS 178 HE3 -1.14 0.02 -0.15 -0.04 2.99 1.69 2nx9B1 ASP 179 H 0.10 0.93 0.31 -0.55 8.40 9.19 2nx9B1 ASP 179 HA 0.10 0.18 1.00 -0.75 4.63 5.14 2nx9B1 ASP 179 HB2 -0.06 0.11 0.06 -0.04 2.71 2.78 2nx9B1 ASP 179 HB3 -0.01 0.05 0.36 -0.04 2.70 3.05 2nx9B1 MET 180 H 0.05 0.32 0.04 -0.55 8.47 8.34 2nx9B1 MET 180 HA 0.07 0.13 0.45 -0.75 4.52 4.42 2nx9B1 MET 180 HB2 -0.03 0.05 0.05 -0.04 2.15 2.18 2nx9B1 MET 180 HB3 -0.03 0.03 0.12 -0.04 2.03 2.10 2nx9B1 MET 180 HG2 -0.18 0.01 0.00 -0.04 2.63 2.42 2nx9B1 MET 180 HG3 -0.11 0.04 0.03 -0.04 2.56 2.48 2nx9B1 MET 180 HE3 -0.14 0.04 -0.03 -0.04 2.10 1.93 2nx9B1 ALA 181 H 0.02 0.06 -0.05 -0.55 8.40 7.89 2nx9B1 ALA 181 HA -0.06 0.13 0.54 -0.75 4.34 4.19 2nx9B1 ALA 181 HB3 0.01 0.03 0.08 -0.04 1.41 1.49 2nx9B1 GLY 182 H 0.04 -0.00 -0.17 -0.55 8.43 7.75 2nx9B1 GLY 182 HA2 0.01 0.06 0.34 -0.51 4.01 3.91 2nx9B1 GLY 182 HA3 0.01 0.06 0.64 -0.51 4.01 4.21 2nx9B1 ILE 183 H 0.06 -0.04 -0.05 -0.55 8.25 7.67 2nx9B1 ILE 183 HA 0.03 0.24 0.47 -0.75 4.18 4.17 2nx9B1 ILE 183 HB 0.08 0.08 -0.01 -0.04 1.89 2.00 2nx9B1 ILE 183 HG12 0.11 -0.20 -0.03 -0.04 1.49 1.33 2nx9B1 ILE 183 HG13 0.27 0.01 -0.30 -0.04 1.21 1.14 2nx9B1 ILE 183 HG23 0.03 0.03 -0.20 -0.04 0.93 0.74 2nx9B1 ILE 183 HD13 0.01 0.06 -0.04 -0.04 0.88 0.88 2nx9B1 LEU 184 H 0.01 -0.09 -0.17 -0.55 8.37 7.58 2nx9B1 LEU 184 HA -0.09 0.08 0.48 -0.75 4.35 4.07 2nx9B1 LEU 184 HB2 -0.54 -0.03 0.01 -0.04 1.64 1.03 2nx9B1 LEU 184 HB3 -0.21 -0.08 0.05 -0.04 1.64 1.36 2nx9B1 LEU 184 HG -0.30 0.10 -0.25 -0.04 1.64 1.16 2nx9B1 LEU 184 HD13 -0.93 0.00 -0.15 -0.04 0.93 -0.19 2nx9B1 LEU 184 HD23 -0.36 -0.00 -0.11 -0.04 0.89 0.37 2nx9B1 THR 185 H -0.01 0.18 0.17 -0.55 8.28 8.07 2nx9B1 THR 185 HA -0.06 0.17 0.46 -0.75 4.39 4.20 2nx9B1 THR 185 HB -0.02 0.04 0.13 -0.04 4.32 4.42 2nx9B1 THR 185 HG23 0.02 0.07 0.05 -0.04 1.22 1.33 2nx9B1 PRO 186 HA -0.18 0.10 0.46 -0.51 4.44 4.31 2nx9B1 PRO 186 HB2 -0.59 0.05 0.01 -0.04 2.28 1.71 2nx9B1 PRO 186 HB3 -0.31 0.14 -0.16 -0.04 2.02 1.65 2nx9B1 PRO 186 HG2 -0.20 0.10 0.04 -0.04 2.03 1.92 2nx9B1 PRO 186 HG3 -0.16 0.00 -0.07 -0.04 2.03 1.76 2nx9B1 PRO 186 HD2 -0.14 0.12 0.19 -0.04 3.68 3.81 2nx9B1 PRO 186 HD3 -0.11 0.18 0.19 -0.04 3.65 3.87 2nx9B1 TYR 187 H -0.12 0.14 -0.13 -0.55 8.29 7.63 2nx9B1 TYR 187 HA -0.03 0.19 0.49 -0.75 4.56 4.45 2nx9B1 TYR 187 HB2 -0.01 -0.00 0.05 -0.04 3.06 3.06 2nx9B1 TYR 187 HB3 -0.01 0.07 0.02 -0.04 2.98 3.03 2nx9B1 TYR 187 HD2 -0.02 0.01 -0.02 -0.04 7.15 7.09 2nx9B1 TYR 187 HE2 -0.01 0.05 -0.03 -0.04 6.85 6.81 2nx9B1 ALA 188 H 0.04 0.04 -0.24 -0.55 8.40 7.69 2nx9B1 ALA 188 HA 0.06 0.13 0.51 -0.75 4.34 4.28 2nx9B1 ALA 188 HB3 0.04 0.02 0.05 -0.04 1.41 1.48 2nx9B1 ALA 189 H -0.10 0.44 -0.34 -0.55 8.40 7.85 2nx9B1 ALA 189 HA -0.19 -0.01 0.36 -0.75 4.34 3.74 2nx9B1 ALA 189 HB3 -0.17 0.04 -0.00 -0.04 1.41 1.23 2nx9B1 GLU 190 H -0.01 0.24 -0.37 -0.55 8.60 7.91 2nx9B1 GLU 190 HA -0.02 0.13 0.29 -0.75 4.29 3.94 2nx9B1 GLU 190 HB2 0.09 0.02 0.07 -0.04 2.09 2.23 2nx9B1 GLU 190 HB3 0.13 0.03 0.14 -0.04 1.99 2.25 2nx9B1 GLU 190 HG2 0.04 0.01 -0.13 -0.04 2.34 2.22 2nx9B1 GLU 190 HG3 0.04 0.12 -0.01 -0.04 2.34 2.45 2nx9B1 GLU 191 H 0.04 0.52 -0.06 -0.55 8.60 8.55 2nx9B1 GLU 191 HA 0.03 0.06 0.44 -0.75 4.29 4.06 2nx9B1 GLU 191 HB2 0.05 0.10 0.18 -0.04 2.09 2.38 2nx9B1 GLU 191 HB3 0.05 0.03 0.13 -0.04 1.99 2.16 2nx9B1 GLU 191 HG2 0.05 -0.04 -0.05 -0.04 2.34 2.25 2nx9B1 GLU 191 HG3 0.03 0.03 0.05 -0.04 2.34 2.42 2nx9B1 LEU 192 H -0.02 0.59 -0.16 -0.55 8.37 8.23 2nx9B1 LEU 192 HA 0.03 -0.01 0.37 -0.75 4.35 3.99 2nx9B1 LEU 192 HB2 -0.05 -0.02 0.05 -0.04 1.64 1.58 2nx9B1 LEU 192 HB3 -0.14 0.02 0.08 -0.04 1.64 1.56 2nx9B1 LEU 192 HG -0.18 0.04 -0.23 -0.04 1.64 1.22 2nx9B1 LEU 192 HD13 -0.01 -0.02 -0.01 -0.04 0.93 0.85 2nx9B1 LEU 192 HD23 -0.53 -0.02 -0.09 -0.04 0.89 0.21 2nx9B1 VAL 193 H -0.06 0.60 -0.09 -0.55 8.24 8.15 2nx9B1 VAL 193 HA -0.04 -0.04 0.47 -0.75 4.13 3.77 2nx9B1 VAL 193 HB -0.06 0.18 0.17 -0.04 2.12 2.37 2nx9B1 VAL 193 HG13 -0.05 0.07 -0.24 -0.04 0.97 0.71 2nx9B1 VAL 193 HG23 -0.10 -0.06 0.02 -0.04 0.95 0.77 2nx9B1 SER 194 H -0.01 0.60 -0.07 -0.55 8.46 8.44 2nx9B1 SER 194 HA 0.01 0.17 0.48 -0.75 4.49 4.40 2nx9B1 SER 194 HB2 0.02 0.05 0.20 -0.04 3.95 4.17 2nx9B1 SER 194 HB3 0.02 -0.05 0.01 -0.04 3.93 3.86 2nx9B1 THR 195 H 0.02 0.43 -0.22 -0.55 8.28 7.97 2nx9B1 THR 195 HA 0.03 0.05 0.42 -0.75 4.39 4.14 2nx9B1 THR 195 HB 0.07 0.06 0.15 -0.04 4.32 4.55 2nx9B1 THR 195 HG23 0.07 -0.04 -0.07 -0.04 1.22 1.13 2nx9B1 LEU 196 H 0.02 0.50 -0.09 -0.55 8.37 8.26 2nx9B1 LEU 196 HA 0.05 -0.03 0.45 -0.75 4.35 4.07 2nx9B1 LEU 196 HB2 0.01 0.07 0.15 -0.04 1.64 1.83 2nx9B1 LEU 196 HB3 0.03 -0.01 -0.01 -0.04 1.64 1.61 2nx9B1 LEU 196 HG 0.06 0.11 0.03 -0.04 1.64 1.79 2nx9B1 LEU 196 HD13 -0.01 -0.04 -0.11 -0.04 0.93 0.72 2nx9B1 LEU 196 HD23 0.12 -0.03 -0.15 -0.04 0.89 0.79 2nx9B1 LYS 197 H 0.01 0.64 -0.02 -0.55 8.42 8.50 2nx9B1 LYS 197 HA 0.01 0.10 0.49 -0.75 4.32 4.17 2nx9B1 LYS 197 HB2 0.01 0.12 0.12 -0.04 1.87 2.07 2nx9B1 LYS 197 HB3 0.01 -0.03 0.04 -0.04 1.79 1.76 2nx9B1 LYS 197 HG2 -0.01 -0.03 -0.04 -0.04 1.46 1.33 2nx9B1 LYS 197 HG3 -0.01 0.08 -0.08 -0.04 1.46 1.41 2nx9B1 LYS 197 HD2 -0.00 0.07 0.05 -0.04 1.69 1.77 2nx9B1 LYS 197 HD3 -0.02 -0.23 0.01 -0.04 1.68 1.40 2nx9B1 LYS 197 HE2 -0.02 0.20 0.10 -0.04 2.99 3.23 2nx9B1 LYS 197 HE3 -0.00 0.00 0.07 -0.04 2.99 3.02 2nx9B1 LYS 198 H 0.02 0.24 -0.40 -0.55 8.42 7.73 2nx9B1 LYS 198 HA 0.02 0.11 0.60 -0.75 4.32 4.29 2nx9B1 LYS 198 HB2 0.02 0.09 0.09 -0.04 1.87 2.02 2nx9B1 LYS 198 HB3 0.02 -0.01 0.10 -0.04 1.79 1.87 2nx9B1 LYS 198 HG2 0.02 -0.02 -0.01 -0.04 1.46 1.40 2nx9B1 LYS 198 HG3 0.02 0.01 0.02 -0.04 1.46 1.47 2nx9B1 LYS 198 HD2 0.02 -0.04 -0.04 -0.04 1.69 1.59 2nx9B1 LYS 198 HD3 0.02 -0.06 -0.03 -0.04 1.68 1.56 2nx9B1 LYS 198 HE2 0.02 0.08 -0.03 -0.04 2.99 3.02 2nx9B1 LYS 198 HE3 0.02 -0.09 -0.03 -0.04 2.99 2.85 2nx9B1 GLN 199 H 0.03 0.30 -0.08 -0.55 8.47 8.17 2nx9B1 GLN 199 HA 0.03 0.15 0.69 -0.75 4.36 4.48 2nx9B1 GLN 199 HB2 0.04 0.03 0.09 -0.04 2.15 2.28 2nx9B1 GLN 199 HB3 0.04 -0.10 0.06 -0.04 2.02 1.98 2nx9B1 GLN 199 HG2 0.03 0.02 -0.15 -0.04 2.40 2.26 2nx9B1 GLN 199 HG3 0.03 0.15 0.04 -0.04 2.39 2.57 2nx9B1 GLN 199 HE21 0.04 -0.10 -0.03 -0.04 6.97 6.84 2nx9B1 GLN 199 HE22 0.04 0.04 -0.00 -0.04 7.69 7.72 2nx9B1 VAL 200 H 0.03 0.64 0.06 -0.55 8.24 8.41 2nx9B1 VAL 200 HA 0.03 0.11 0.92 -0.75 4.13 4.44 2nx9B1 VAL 200 HB 0.04 0.07 0.05 -0.04 2.12 2.24 2nx9B1 VAL 200 HG13 0.04 -0.02 -0.22 -0.04 0.97 0.73 2nx9B1 VAL 200 HG23 0.06 -0.03 -0.16 -0.04 0.95 0.78 2nx9B1 ASP 201 H 0.03 0.11 0.02 -0.55 8.40 8.02 2nx9B1 ASP 201 HA 0.02 0.22 0.44 -0.75 4.63 4.56 2nx9B1 ASP 201 HB2 0.02 0.02 0.01 -0.04 2.71 2.72 2nx9B1 ASP 201 HB3 0.02 -0.03 0.17 -0.04 2.70 2.82 2nx9B1 VAL 202 H 0.02 0.54 -0.02 -0.55 8.24 8.24 2nx9B1 VAL 202 HA 0.03 0.18 0.75 -0.75 4.13 4.34 2nx9B1 VAL 202 HB 0.04 -0.00 -0.10 -0.04 2.12 2.01 2nx9B1 VAL 202 HG13 0.03 -0.00 -0.27 -0.04 0.97 0.69 2nx9B1 VAL 202 HG23 0.03 -0.04 -0.30 -0.04 0.95 0.61 2nx9B1 GLU 203 H 0.03 0.21 0.14 -0.55 8.60 8.44 2nx9B1 GLU 203 HA -0.02 0.10 0.66 -0.75 4.29 4.28 2nx9B1 GLU 203 HB2 0.04 0.03 0.20 -0.04 2.09 2.31 2nx9B1 GLU 203 HB3 -0.08 -0.03 -0.00 -0.04 1.99 1.84 2nx9B1 GLU 203 HG2 -0.02 0.03 0.07 -0.04 2.34 2.38 2nx9B1 GLU 203 HG3 0.03 0.01 0.08 -0.04 2.34 2.41 2nx9B1 LEU 204 H -0.05 0.17 0.29 -0.55 8.37 8.24 2nx9B1 LEU 204 HA -0.00 0.34 0.97 -0.75 4.35 4.91 2nx9B1 LEU 204 HB2 -0.04 0.07 0.17 -0.04 1.64 1.80 2nx9B1 LEU 204 HB3 -0.05 -0.10 -0.04 -0.04 1.64 1.41 2nx9B1 LEU 204 HG -0.00 0.15 -0.13 -0.04 1.64 1.62 2nx9B1 LEU 204 HD13 -0.03 -0.01 -0.04 -0.04 0.93 0.81 2nx9B1 LEU 204 HD23 -0.00 -0.00 -0.05 -0.04 0.89 0.79 2nx9B1 HIS 205 H 0.04 0.52 0.32 -0.55 8.41 8.75 2nx9B1 HIS 205 HA -0.15 0.21 0.86 -0.75 4.63 4.79 2nx9B1 HIS 205 HB2 -0.18 0.05 -0.29 -0.04 3.26 2.80 2nx9B1 HIS 205 HB3 -0.08 -0.11 -0.04 -0.04 3.20 2.93 2nx9B1 HIS 205 HD2 -0.08 0.10 -0.48 -0.04 6.97 6.47 2nx9B1 HIS 205 HE1 -0.10 0.01 -0.26 -0.04 7.75 7.36 2nx9B1 LEU 206 H 0.00 0.74 0.30 -0.55 8.37 8.87 2nx9B1 LEU 206 HA 0.02 0.21 1.10 -0.75 4.35 4.91 2nx9B1 LEU 206 HB2 -0.07 0.04 0.01 -0.04 1.64 1.58 2nx9B1 LEU 206 HB3 -0.06 0.04 0.16 -0.04 1.64 1.75 2nx9B1 LEU 206 HG -0.06 -0.12 -0.25 -0.04 1.64 1.16 2nx9B1 LEU 206 HD13 -0.12 0.02 -0.06 -0.04 0.93 0.73 2nx9B1 LEU 206 HD23 -0.12 -0.00 -0.13 -0.04 0.89 0.60 2nx9B1 HIS 207 H 0.07 0.76 0.38 -0.55 8.41 9.08 2nx9B1 HIS 207 HA -0.03 0.08 0.68 -0.75 4.63 4.61 2nx9B1 HIS 207 HB2 -0.07 0.07 -0.09 -0.04 3.26 3.13 2nx9B1 HIS 207 HB3 -0.05 -0.02 0.18 -0.04 3.20 3.27 2nx9B1 HIS 207 HD2 0.08 -0.13 -0.37 -0.04 6.97 6.51 2nx9B1 HIS 207 HE1 -0.03 -0.05 -0.12 -0.04 7.75 7.50 2nx9B1 CYS 208 H -0.22 0.33 0.14 -0.55 8.50 8.21 2nx9B1 CYS 208 HA -0.04 0.00 0.95 -0.75 4.58 4.74 2nx9B1 CYS 208 HB2 -0.10 0.00 -0.20 -0.04 2.97 2.64 2nx9B1 CYS 208 HB3 -0.11 0.00 0.03 -0.04 2.97 2.85 2nx9B1 HIS 209 H 0.08 0.27 0.22 -0.55 8.41 8.43 2nx9B1 HIS 209 HA -0.27 0.37 1.02 -0.75 4.63 5.00 2nx9B1 HIS 209 HB2 -0.09 -0.10 -0.05 -0.04 3.26 2.98 2nx9B1 HIS 209 HB3 -0.14 -0.05 0.02 -0.04 3.20 2.99 2nx9B1 HIS 209 HD2 -0.01 -0.04 -0.08 -0.04 6.97 6.80 2nx9B1 HIS 209 HE1 -0.12 -0.01 0.04 -0.04 7.75 7.61 2nx9B1 SER 210 H -0.14 0.92 0.05 -0.55 8.46 8.75 2nx9B1 SER 210 HA -0.06 -0.21 0.36 -0.75 4.49 3.83 2nx9B1 SER 210 HB2 -0.08 0.42 -0.45 -0.04 3.95 3.80 2nx9B1 SER 210 HB3 -0.06 -0.09 -0.05 -0.04 3.93 3.69 2nx9B1 THR 211 H 0.00 0.12 -0.52 -0.55 8.28 7.33 2nx9B1 THR 211 HA -0.09 0.10 0.04 -0.75 4.39 3.69 2nx9B1 THR 211 HB -0.01 0.11 0.08 -0.04 4.32 4.46 2nx9B1 THR 211 HG23 -0.01 -0.04 0.01 -0.04 1.22 1.14 2nx9B1 ALA 212 H -0.03 0.14 -0.13 -0.55 8.40 7.84 2nx9B1 ALA 212 HA -0.03 0.14 0.78 -0.75 4.34 4.47 2nx9B1 ALA 212 HB3 -0.01 0.06 0.07 -0.04 1.41 1.48 2nx9B1 GLY 213 H -0.05 0.61 -0.24 -0.55 8.43 8.20 2nx9B1 GLY 213 HA2 -0.05 0.04 0.30 -0.51 4.01 3.80 2nx9B1 GLY 213 HA3 -0.04 0.14 0.50 -0.51 4.01 4.10 2nx9B1 LEU 214 H -0.05 0.07 -0.14 -0.55 8.37 7.71 2nx9B1 LEU 214 HA -0.06 0.24 0.68 -0.75 4.35 4.45 2nx9B1 LEU 214 HB2 -0.05 0.07 -0.11 -0.04 1.64 1.50 2nx9B1 LEU 214 HB3 -0.07 -0.03 -0.01 -0.04 1.64 1.49 2nx9B1 LEU 214 HG -0.03 0.06 -0.26 -0.04 1.64 1.37 2nx9B1 LEU 214 HD13 -0.02 0.05 -0.28 -0.04 0.93 0.63 2nx9B1 LEU 214 HD23 -0.04 -0.00 -0.09 -0.04 0.89 0.72 2nx9B1 ALA 215 H -0.06 0.08 -0.05 -0.55 8.40 7.82 2nx9B1 ALA 215 HA -0.09 0.09 0.02 -0.75 4.34 3.61 2nx9B1 ALA 215 HB3 -0.08 0.08 -0.27 -0.04 1.41 1.10 2nx9B1 ASP 216 H -0.06 0.12 -0.17 -0.55 8.40 7.74 2nx9B1 ASP 216 HA -0.06 0.06 0.45 -0.75 4.63 4.33 2nx9B1 ASP 216 HB2 -0.05 0.00 0.03 -0.04 2.71 2.65 2nx9B1 ASP 216 HB3 -0.05 0.10 -0.08 -0.04 2.70 2.63 2nx9B1 MET 217 H -0.08 0.15 -0.16 -0.55 8.47 7.84 2nx9B1 MET 217 HA -0.09 0.09 0.46 -0.75 4.52 4.22 2nx9B1 MET 217 HB2 -0.11 0.11 0.15 -0.04 2.15 2.26 2nx9B1 MET 217 HB3 -0.15 -0.00 0.06 -0.04 2.03 1.91 2nx9B1 MET 217 HG2 -0.07 0.03 0.02 -0.04 2.63 2.57 2nx9B1 MET 217 HG3 -0.07 -0.05 0.04 -0.04 2.56 2.45 2nx9B1 MET 217 HE3 -0.06 0.01 0.07 -0.04 2.10 2.08 2nx9B1 THR 218 H -0.11 0.56 -0.12 -0.55 8.28 8.06 2nx9B1 THR 218 HA -0.15 -0.04 0.36 -0.75 4.39 3.81 2nx9B1 THR 218 HB -0.11 -0.04 -0.06 -0.04 4.32 4.07 2nx9B1 THR 218 HG23 -0.15 -0.02 -0.26 -0.04 1.22 0.75 2nx9B1 LEU 219 H -0.10 0.63 -0.15 -0.55 8.37 8.20 2nx9B1 LEU 219 HA -0.11 0.00 0.37 -0.75 4.35 3.86 2nx9B1 LEU 219 HB2 -0.08 0.14 0.20 -0.04 1.64 1.85 2nx9B1 LEU 219 HB3 -0.09 0.03 -0.05 -0.04 1.64 1.49 2nx9B1 LEU 219 HG -0.08 0.01 0.03 -0.04 1.64 1.56 2nx9B1 LEU 219 HD13 -0.09 -0.01 -0.03 -0.04 0.93 0.76 2nx9B1 LEU 219 HD23 -0.06 0.03 -0.01 -0.04 0.89 0.80 2nx9B1 LEU 220 H -0.10 0.35 -0.28 -0.55 8.37 7.79 2nx9B1 LEU 220 HA -0.14 0.06 0.39 -0.75 4.35 3.91 2nx9B1 LEU 220 HB2 -0.08 0.02 0.10 -0.04 1.64 1.65 2nx9B1 LEU 220 HB3 -0.09 0.05 0.13 -0.04 1.64 1.69 2nx9B1 LEU 220 HG -0.08 0.01 -0.14 -0.04 1.64 1.39 2nx9B1 LEU 220 HD13 -0.09 -0.00 -0.01 -0.04 0.93 0.79 2nx9B1 LEU 220 HD23 -0.04 -0.00 -0.03 -0.04 0.89 0.78 2nx9B1 LYS 221 H -0.13 0.59 0.02 -0.55 8.42 8.35 2nx9B1 LYS 221 HA -0.07 0.06 0.47 -0.75 4.32 4.03 2nx9B1 LYS 221 HB2 -0.16 0.01 0.14 -0.04 1.87 1.82 2nx9B1 LYS 221 HB3 -0.09 0.02 -0.02 -0.04 1.79 1.67 2nx9B1 LYS 221 HG2 -0.21 0.05 0.02 -0.04 1.46 1.28 2nx9B1 LYS 221 HG3 -0.39 -0.11 -0.12 -0.04 1.46 0.80 2nx9B1 LYS 221 HD2 -0.05 0.00 -0.09 -0.04 1.69 1.50 2nx9B1 LYS 221 HD3 -0.04 -0.01 -0.04 -0.04 1.68 1.54 2nx9B1 LYS 221 HE2 0.20 -0.05 -0.04 -0.04 2.99 3.05 2nx9B1 LYS 221 HE3 0.04 0.03 0.03 -0.04 2.99 3.05 2nx9B1 ALA 222 H -0.12 0.56 -0.22 -0.55 8.40 8.07 2nx9B1 ALA 222 HA -0.09 0.07 0.40 -0.75 4.34 3.96 2nx9B1 ALA 222 HB3 -0.12 -0.01 0.02 -0.04 1.41 1.26 2nx9B1 ILE 223 H -0.17 0.48 -0.18 -0.55 8.25 7.83 2nx9B1 ILE 223 HA -0.22 0.09 0.45 -0.75 4.18 3.74 2nx9B1 ILE 223 HB -0.30 0.06 0.19 -0.04 1.89 1.80 2nx9B1 ILE 223 HG12 -0.20 0.08 -0.05 -0.04 1.49 1.27 2nx9B1 ILE 223 HG13 -0.17 -0.00 0.00 -0.04 1.21 0.99 2nx9B1 ILE 223 HG23 -0.85 0.01 -0.12 -0.04 0.93 -0.08 2nx9B1 ILE 223 HD13 -0.14 -0.05 -0.12 -0.04 0.88 0.53 2nx9B1 GLU 224 H -0.20 0.49 -0.14 -0.55 8.60 8.20 2nx9B1 GLU 224 HA -0.09 0.04 0.39 -0.75 4.29 3.88 2nx9B1 GLU 224 HB2 -0.05 0.05 0.13 -0.04 2.09 2.18 2nx9B1 GLU 224 HB3 0.02 -0.03 0.05 -0.04 1.99 1.99 2nx9B1 GLU 224 HG2 0.04 -0.02 0.03 -0.04 2.34 2.35 2nx9B1 GLU 224 HG3 -0.12 0.10 0.04 -0.04 2.34 2.31 2nx9B1 ALA 225 H -0.08 0.20 -0.66 -0.55 8.40 7.32 2nx9B1 ALA 225 HA 0.01 0.11 0.65 -0.75 4.34 4.35 2nx9B1 ALA 225 HB3 -0.02 -0.04 0.14 -0.04 1.41 1.45 2nx9B1 GLY 226 H -0.05 0.30 -0.31 -0.55 8.43 7.82 2nx9B1 GLY 226 HA2 0.03 0.11 0.17 -0.51 4.01 3.81 2nx9B1 GLY 226 HA3 0.01 0.09 0.61 -0.51 4.01 4.21 2nx9B1 VAL 227 H -0.08 0.32 0.07 -0.55 8.24 8.00 2nx9B1 VAL 227 HA -0.07 -0.02 0.36 -0.75 4.13 3.65 2nx9B1 VAL 227 HB -0.09 0.03 -0.06 -0.04 2.12 1.96 2nx9B1 VAL 227 HG13 -0.13 -0.03 -0.33 -0.04 0.97 0.43 2nx9B1 VAL 227 HG23 -0.09 -0.03 -0.10 -0.04 0.95 0.69 2nx9B1 ASP 228 H -0.11 0.17 0.36 -0.55 8.40 8.27 2nx9B1 ASP 228 HA -0.09 0.23 0.63 -0.75 4.63 4.64 2nx9B1 ASP 228 HB2 -0.18 0.07 0.24 -0.04 2.71 2.80 2nx9B1 ASP 228 HB3 -0.16 -0.02 0.11 -0.04 2.70 2.59 2nx9B1 ARG 229 H -0.27 0.33 0.29 -0.55 8.46 8.27 2nx9B1 ARG 229 HA -0.33 0.32 0.96 -0.75 4.34 4.53 2nx9B1 ARG 229 HB2 -1.07 -0.07 -0.03 -0.04 1.90 0.69 2nx9B1 ARG 229 HB3 -1.30 -0.03 -0.09 -0.04 1.80 0.33 2nx9B1 ARG 229 HG2 -0.56 -0.01 0.03 -0.04 1.67 1.09 2nx9B1 ARG 229 HG3 -0.64 0.02 -0.40 -0.04 1.67 0.61 2nx9B1 ARG 229 HD2 -1.30 -0.08 -0.23 -0.04 3.22 1.58 2nx9B1 ARG 229 HD3 -2.26 0.07 -0.12 -0.04 3.22 0.86 2nx9B1 VAL 230 H -0.23 0.58 0.32 -0.55 8.24 8.36 2nx9B1 VAL 230 HA -0.04 0.14 0.85 -0.75 4.13 4.32 2nx9B1 VAL 230 HB -0.06 -0.01 0.11 -0.04 2.12 2.11 2nx9B1 VAL 230 HG13 -0.11 0.01 -0.15 -0.04 0.97 0.67 2nx9B1 VAL 230 HG23 -0.06 0.00 -0.14 -0.04 0.95 0.72 2nx9B1 ASP 231 H 0.05 0.44 0.34 -0.55 8.40 8.68 2nx9B1 ASP 231 HA 0.07 0.28 0.98 -0.75 4.63 5.20 2nx9B1 ASP 231 HB2 0.04 -0.05 0.30 -0.04 2.71 2.96 2nx9B1 ASP 231 HB3 -0.07 -0.07 -0.03 -0.04 2.70 2.49 2nx9B1 THR 232 H -0.06 0.74 0.38 -0.55 8.28 8.80 2nx9B1 THR 232 HA -0.09 0.21 0.69 -0.75 4.39 4.44 2nx9B1 THR 232 HB -0.02 -0.04 -0.26 -0.04 4.32 3.97 2nx9B1 THR 232 HG23 -0.02 0.00 -0.34 -0.04 1.22 0.82 2nx9B1 ALA 233 H -0.04 0.76 0.17 -0.55 8.40 8.74 2nx9B1 ALA 233 HA -0.13 -0.05 0.94 -0.75 4.34 4.34 2nx9B1 ALA 233 HB3 -0.06 0.05 -0.10 -0.04 1.41 1.27 2nx9B1 ILE 234 H -0.09 0.12 0.08 -0.55 8.25 7.82 2nx9B1 ILE 234 HA 0.04 -0.05 0.51 -0.75 4.18 3.92 2nx9B1 ILE 234 HB -0.18 0.03 0.09 -0.04 1.89 1.79 2nx9B1 ILE 234 HG12 0.02 -0.06 0.07 -0.04 1.49 1.48 2nx9B1 ILE 234 HG13 0.03 0.13 -0.01 -0.04 1.21 1.33 2nx9B1 ILE 234 HG23 0.10 -0.00 -0.21 -0.04 0.93 0.77 2nx9B1 ILE 234 HD13 0.15 0.01 0.02 -0.04 0.88 1.02 2nx9B1 SER 235 H 0.05 0.08 0.18 -0.55 8.46 8.23 2nx9B1 SER 235 HA 0.03 0.06 0.20 -0.75 4.49 4.02 2nx9B1 SER 235 HB2 0.03 0.11 0.05 -0.04 3.95 4.10 2nx9B1 SER 235 HB3 0.04 -0.18 0.15 -0.04 3.93 3.90 2nx9B1 SER 236 H 0.08 0.03 -0.12 -0.55 8.46 7.91 2nx9B1 SER 236 HA 0.07 0.11 0.37 -0.75 4.49 4.29 2nx9B1 SER 236 HB2 0.12 0.08 -0.02 -0.04 3.95 4.09 2nx9B1 SER 236 HB3 0.10 -0.00 0.06 -0.04 3.93 4.04 2nx9B1 MET 237 H 0.04 0.31 -0.55 -0.55 8.47 7.72 2nx9B1 MET 237 HA 0.12 0.23 0.71 -0.75 4.52 4.82 2nx9B1 MET 237 HB2 -0.10 -0.07 0.01 -0.04 2.15 1.95 2nx9B1 MET 237 HB3 -0.03 -0.08 0.10 -0.04 2.03 1.98 2nx9B1 MET 237 HG2 0.08 -0.12 -0.42 -0.04 2.63 2.13 2nx9B1 MET 237 HG3 -0.41 -0.07 -0.08 -0.04 2.56 1.95 2nx9B1 MET 237 HE3 0.01 -0.03 -0.05 -0.04 2.10 1.99 2nx9B1 SER 238 H 0.05 0.39 -0.22 -0.55 8.46 8.14 2nx9B1 SER 238 HA 0.05 0.06 0.86 -0.75 4.49 4.71 2nx9B1 SER 238 HB2 0.02 0.08 -0.07 -0.04 3.95 3.93 2nx9B1 SER 238 HB3 0.02 0.02 -0.37 -0.04 3.93 3.56 2nx9B1 GLY 239 H 0.00 0.36 0.21 -0.55 8.43 8.46 2nx9B1 GLY 239 HA2 -0.02 -0.04 0.21 -0.51 4.01 3.65 2nx9B1 GLY 239 HA3 -0.00 0.20 0.37 -0.51 4.01 4.07 2nx9B1 THR 240 H -0.05 0.14 0.07 -0.55 8.28 7.89 2nx9B1 THR 240 HA -0.15 0.19 0.26 -0.75 4.39 3.94 2nx9B1 THR 240 HB -0.46 -0.00 0.07 -0.04 4.32 3.89 2nx9B1 THR 240 HG23 -0.08 0.09 0.02 -0.04 1.22 1.21 2nx9B1 TYR 241 H -0.19 0.22 0.13 -0.55 8.29 7.89 2nx9B1 TYR 241 HA -0.02 -0.08 0.35 -0.75 4.56 4.05 2nx9B1 TYR 241 HB2 -0.01 0.19 -0.00 -0.04 3.06 3.20 2nx9B1 TYR 241 HB3 -0.02 -0.05 0.20 -0.04 2.98 3.07 2nx9B1 TYR 241 HD2 0.00 0.01 0.09 -0.04 7.15 7.21 2nx9B1 TYR 241 HE2 0.01 0.02 0.02 -0.04 6.85 6.86 2nx9B1 GLY 242 H 0.01 0.70 -0.63 -0.55 8.43 7.96 2nx9B1 GLY 242 HA2 -0.33 0.14 0.66 -0.51 4.01 3.96 2nx9B1 GLY 242 HA3 -0.11 0.05 0.31 -0.51 4.01 3.75 2nx9B1 HIS 243 H -0.05 0.20 0.21 -0.55 8.41 8.23 2nx9B1 HIS 243 HA -0.22 0.19 0.89 -0.75 4.63 4.73 2nx9B1 HIS 243 HB2 -0.15 -0.04 -0.12 -0.04 3.26 2.91 2nx9B1 HIS 243 HB3 -0.23 0.13 0.01 -0.04 3.20 3.06 2nx9B1 HIS 243 HD2 -0.85 0.10 -0.16 -0.04 6.97 6.01 2nx9B1 HIS 243 HE1 -0.10 0.07 -0.58 -0.04 7.75 7.10 2nx9B1 PRO 244 HA -0.03 0.01 0.46 -0.51 4.44 4.38 2nx9B1 PRO 244 HB2 -0.04 0.09 -0.02 -0.04 2.28 2.27 2nx9B1 PRO 244 HB3 -0.04 0.02 0.05 -0.04 2.02 2.01 2nx9B1 PRO 244 HG2 -0.07 0.17 -0.11 -0.04 2.03 1.98 2nx9B1 PRO 244 HG3 -0.06 -0.16 -0.26 -0.04 2.03 1.51 2nx9B1 PRO 244 HD2 -0.05 0.23 0.22 -0.04 3.68 4.04 2nx9B1 PRO 244 HD3 -0.09 0.13 0.12 -0.04 3.65 3.78 2nx9B1 ALA 245 H -0.01 0.10 0.18 -0.55 8.40 8.12 2nx9B1 ALA 245 HA 0.01 0.43 0.51 -0.75 4.34 4.52 2nx9B1 ALA 245 HB3 0.01 -0.01 0.11 -0.04 1.41 1.48 2nx9B1 THR 246 H 0.02 0.49 0.07 -0.55 8.28 8.31 2nx9B1 THR 246 HA 0.03 0.13 0.10 -0.75 4.39 3.90 2nx9B1 THR 246 HB 0.07 -0.13 0.01 -0.04 4.32 4.23 2nx9B1 THR 246 HG23 0.16 0.04 -0.22 -0.04 1.22 1.17 2nx9B1 GLU 247 H 0.03 0.02 -0.05 -0.55 8.60 8.06 2nx9B1 GLU 247 HA 0.02 0.11 0.33 -0.75 4.29 4.00 2nx9B1 GLU 247 HB2 0.03 -0.00 0.03 -0.04 2.09 2.10 2nx9B1 GLU 247 HB3 0.02 0.10 0.03 -0.04 1.99 2.10 2nx9B1 GLU 247 HG2 0.04 0.11 -0.01 -0.04 2.34 2.43 2nx9B1 GLU 247 HG3 0.04 0.02 -0.02 -0.04 2.34 2.33 2nx9B1 SER 248 H 0.01 0.01 -0.37 -0.55 8.46 7.56 2nx9B1 SER 248 HA 0.00 0.11 0.39 -0.75 4.49 4.23 2nx9B1 SER 248 HB2 -0.00 0.03 0.10 -0.04 3.95 4.04 2nx9B1 SER 248 HB3 -0.01 0.07 0.00 -0.04 3.93 3.95 2nx9B1 LEU 249 H -0.00 0.38 -0.15 -0.55 8.37 8.05 2nx9B1 LEU 249 HA -0.02 0.07 0.48 -0.75 4.35 4.13 2nx9B1 LEU 249 HB2 -0.02 -0.05 0.02 -0.04 1.64 1.54 2nx9B1 LEU 249 HB3 -0.01 0.09 0.03 -0.04 1.64 1.71 2nx9B1 LEU 249 HG -0.02 0.03 -0.25 -0.04 1.64 1.35 2nx9B1 LEU 249 HD13 -0.05 -0.00 -0.05 -0.04 0.93 0.78 2nx9B1 LEU 249 HD23 -0.04 0.01 -0.14 -0.04 0.89 0.67 2nx9B1 VAL 250 H 0.01 0.50 -0.08 -0.55 8.24 8.12 2nx9B1 VAL 250 HA 0.01 0.04 0.47 -0.75 4.13 3.89 2nx9B1 VAL 250 HB 0.01 -0.04 0.10 -0.04 2.12 2.15 2nx9B1 VAL 250 HG13 -0.00 -0.03 -0.17 -0.04 0.97 0.73 2nx9B1 VAL 250 HG23 0.01 0.04 -0.06 -0.04 0.95 0.90 2nx9B1 ALA 251 H 0.01 0.63 -0.07 -0.55 8.40 8.42 2nx9B1 ALA 251 HA 0.01 0.01 0.52 -0.75 4.34 4.12 2nx9B1 ALA 251 HB3 0.01 0.01 0.08 -0.04 1.41 1.45 2nx9B1 THR 252 H 0.00 0.38 -0.22 -0.55 8.28 7.89 2nx9B1 THR 252 HA 0.01 0.05 0.48 -0.75 4.39 4.17 2nx9B1 THR 252 HB -0.01 0.08 0.18 -0.04 4.32 4.53 2nx9B1 THR 252 HG23 -0.01 -0.02 -0.08 -0.04 1.22 1.07 2nx9B1 LEU 253 H 0.02 0.42 -0.22 -0.55 8.37 8.04 2nx9B1 LEU 253 HA 0.08 0.09 0.50 -0.75 4.35 4.26 2nx9B1 LEU 253 HB2 0.03 0.02 0.01 -0.04 1.64 1.66 2nx9B1 LEU 253 HB3 0.09 -0.11 -0.21 -0.04 1.64 1.38 2nx9B1 LEU 253 HG -0.00 0.18 -0.03 -0.04 1.64 1.74 2nx9B1 LEU 253 HD13 -0.00 0.00 -0.11 -0.04 0.93 0.78 2nx9B1 LEU 253 HD23 0.01 -0.01 -0.16 -0.04 0.89 0.68 2nx9B1 GLN 254 H 0.02 0.27 -0.41 -0.55 8.47 7.81 2nx9B1 GLN 254 HA 0.01 -0.13 0.34 -0.75 4.36 3.83 2nx9B1 GLN 254 HB2 0.01 0.08 0.22 -0.04 2.15 2.42 2nx9B1 GLN 254 HB3 0.01 0.05 0.12 -0.04 2.02 2.16 2nx9B1 GLN 254 HG2 0.00 0.03 -0.01 -0.04 2.40 2.38 2nx9B1 GLN 254 HG3 0.00 -0.07 0.08 -0.04 2.39 2.36 2nx9B1 GLN 254 HE21 0.00 -0.08 0.02 -0.04 6.97 6.87 2nx9B1 GLN 254 HE22 0.00 0.06 0.00 -0.04 7.69 7.72 2nx9B1 GLY 255 H 0.00 0.07 0.25 -0.55 8.43 8.21 2nx9B1 GLY 255 HA2 -0.01 0.01 0.37 -0.51 4.01 3.86 2nx9B1 GLY 255 HA3 -0.00 0.05 0.39 -0.51 4.01 3.94 2nx9B1 THR 256 H 0.01 0.44 -0.30 -0.55 8.28 7.89 2nx9B1 THR 256 HA -0.03 0.19 0.78 -0.75 4.39 4.58 2nx9B1 THR 256 HB 0.03 -0.08 0.16 -0.04 4.32 4.38 2nx9B1 THR 256 HG23 0.06 0.06 -0.14 -0.04 1.22 1.15 2nx9B1 GLY 257 H -0.25 0.17 0.11 -0.55 8.43 7.91 2nx9B1 GLY 257 HA2 -0.17 0.12 0.42 -0.51 4.01 3.87 2nx9B1 GLY 257 HA3 -0.39 0.06 0.26 -0.51 4.01 3.43 2nx9B1 TYR 258 H -0.25 -0.01 -0.35 -0.55 8.29 7.14 2nx9B1 TYR 258 HA -0.02 0.37 0.35 -0.75 4.56 4.51 2nx9B1 TYR 258 HB2 -0.02 -0.06 -0.06 -0.04 3.06 2.88 2nx9B1 TYR 258 HB3 -0.03 0.02 0.08 -0.04 2.98 3.01 2nx9B1 TYR 258 HD2 -0.02 0.12 -0.03 -0.04 7.15 7.17 2nx9B1 TYR 258 HE2 -0.02 0.05 -0.04 -0.04 6.85 6.81 2nx9B1 ASP 259 H 0.01 0.31 -0.42 -0.55 8.40 7.75 2nx9B1 ASP 259 HA 0.04 -0.01 0.21 -0.75 4.63 4.11 2nx9B1 ASP 259 HB2 0.00 0.15 0.20 -0.04 2.71 3.02 2nx9B1 ASP 259 HB3 -0.00 0.08 0.07 -0.04 2.70 2.81 2nx9B1 THR 260 H 0.03 0.02 0.12 -0.55 8.28 7.90 2nx9B1 THR 260 HA 0.02 0.32 0.59 -0.75 4.39 4.58 2nx9B1 THR 260 HB 0.01 0.04 0.08 -0.04 4.32 4.41 2nx9B1 THR 260 HG23 0.02 0.02 -0.01 -0.04 1.22 1.21 2nx9B1 GLY 261 H 0.00 -0.03 -0.19 -0.55 8.43 7.67 2nx9B1 GLY 261 HA2 -0.00 -0.04 0.22 -0.51 4.01 3.68 2nx9B1 GLY 261 HA3 -0.00 0.20 0.38 -0.51 4.01 4.08 2nx9B1 LEU 262 H -0.02 -0.07 -0.32 -0.55 8.37 7.42 2nx9B1 LEU 262 HA -0.06 0.30 0.63 -0.75 4.35 4.46 2nx9B1 LEU 262 HB2 -0.04 -0.14 -0.05 -0.04 1.64 1.36 2nx9B1 LEU 262 HB3 -0.11 -0.05 -0.09 -0.04 1.64 1.35 2nx9B1 LEU 262 HG -0.04 -0.01 -0.16 -0.04 1.64 1.39 2nx9B1 LEU 262 HD13 -0.16 -0.04 -0.14 -0.04 0.93 0.55 2nx9B1 LEU 262 HD23 -0.10 0.11 -0.23 -0.04 0.89 0.63 2nx9B1 ASP 263 H -0.06 0.29 0.16 -0.55 8.40 8.25 2nx9B1 ASP 263 HA -0.02 0.14 0.59 -0.75 4.63 4.59 2nx9B1 ASP 263 HB2 -0.02 0.22 0.13 -0.04 2.71 2.99 2nx9B1 ASP 263 HB3 -0.03 -0.03 0.20 -0.04 2.70 2.80 2nx9B1 ILE 264 H -0.01 0.30 0.20 -0.55 8.25 8.19 2nx9B1 ILE 264 HA 0.00 0.01 0.33 -0.75 4.18 3.78 2nx9B1 ILE 264 HB 0.00 0.05 0.11 -0.04 1.89 2.01 2nx9B1 ILE 264 HG12 0.01 -0.07 0.02 -0.04 1.49 1.40 2nx9B1 ILE 264 HG13 -0.00 0.12 0.03 -0.04 1.21 1.31 2nx9B1 ILE 264 HG23 0.01 -0.01 -0.09 -0.04 0.93 0.81 2nx9B1 ILE 264 HD13 0.01 0.03 -0.02 -0.04 0.88 0.85 2nx9B1 ALA 265 H 0.00 0.16 -0.12 -0.55 8.40 7.90 2nx9B1 ALA 265 HA 0.01 0.08 0.47 -0.75 4.34 4.15 2nx9B1 ALA 265 HB3 0.01 0.04 0.05 -0.04 1.41 1.46 2nx9B1 LYS 266 H -0.00 0.10 -0.27 -0.55 8.42 7.70 2nx9B1 LYS 266 HA 0.01 0.10 0.53 -0.75 4.32 4.21 2nx9B1 LYS 266 HB2 -0.02 0.01 0.14 -0.04 1.87 1.96 2nx9B1 LYS 266 HB3 -0.01 0.07 -0.05 -0.04 1.79 1.76 2nx9B1 LYS 266 HG2 -0.00 0.04 0.03 -0.04 1.46 1.49 2nx9B1 LYS 266 HG3 -0.00 -0.07 -0.01 -0.04 1.46 1.35 2nx9B1 LYS 266 HD2 -0.01 -0.07 0.03 -0.04 1.69 1.60 2nx9B1 LYS 266 HD3 -0.02 0.11 0.02 -0.04 1.68 1.75 2nx9B1 LYS 266 HE2 -0.01 0.03 0.01 -0.04 2.99 2.98 2nx9B1 LYS 266 HE3 -0.01 0.07 -0.00 -0.04 2.99 3.01 2nx9B1 LEU 267 H 0.01 0.44 -0.14 -0.55 8.37 8.13 2nx9B1 LEU 267 HA 0.06 0.07 0.44 -0.75 4.35 4.16 2nx9B1 LEU 267 HB2 0.02 0.09 0.15 -0.04 1.64 1.86 2nx9B1 LEU 267 HB3 0.05 -0.19 -0.02 -0.04 1.64 1.45 2nx9B1 LEU 267 HG -0.04 0.13 -0.05 -0.04 1.64 1.63 2nx9B1 LEU 267 HD13 -0.02 -0.02 -0.31 -0.04 0.93 0.55 2nx9B1 LEU 267 HD23 0.04 -0.02 -0.06 -0.04 0.89 0.81 2nx9B1 GLU 268 H 0.04 0.70 -0.02 -0.55 8.60 8.76 2nx9B1 GLU 268 HA 0.06 -0.11 0.40 -0.75 4.29 3.89 2nx9B1 GLU 268 HB2 0.03 0.03 0.14 -0.04 2.09 2.24 2nx9B1 GLU 268 HB3 0.03 0.15 0.11 -0.04 1.99 2.25 2nx9B1 GLU 268 HG2 0.05 -0.10 0.06 -0.04 2.34 2.30 2nx9B1 GLU 268 HG3 0.03 0.03 0.00 -0.04 2.34 2.36 2nx9B1 GLN 269 H 0.05 0.42 -0.37 -0.55 8.47 8.02 2nx9B1 GLN 269 HA 0.06 0.03 0.51 -0.75 4.36 4.21 2nx9B1 GLN 269 HB2 0.04 0.19 0.15 -0.04 2.15 2.49 2nx9B1 GLN 269 HB3 0.04 -0.01 0.01 -0.04 2.02 2.02 2nx9B1 GLN 269 HG2 0.03 -0.07 0.06 -0.04 2.40 2.38 2nx9B1 GLN 269 HG3 0.02 0.20 0.11 -0.04 2.39 2.68 2nx9B1 GLN 269 HE21 0.01 0.01 0.00 -0.04 6.97 6.95 2nx9B1 GLN 269 HE22 0.02 0.02 0.02 -0.04 7.69 7.71 2nx9B1 ILE 270 H 0.09 0.42 -0.12 -0.55 8.25 8.09 2nx9B1 ILE 270 HA 0.12 0.09 0.46 -0.75 4.18 4.09 2nx9B1 ILE 270 HB 0.17 0.12 0.18 -0.04 1.89 2.32 2nx9B1 ILE 270 HG12 0.07 -0.01 -0.02 -0.04 1.49 1.49 2nx9B1 ILE 270 HG13 0.07 0.15 0.08 -0.04 1.21 1.47 2nx9B1 ILE 270 HG23 0.35 -0.03 -0.04 -0.04 0.93 1.17 2nx9B1 ILE 270 HD13 0.12 0.00 -0.12 -0.04 0.88 0.84 2nx9B1 ALA 271 H 0.15 0.40 -0.27 -0.55 8.40 8.14 2nx9B1 ALA 271 HA 0.27 -0.04 0.36 -0.75 4.34 4.17 2nx9B1 ALA 271 HB3 0.11 -0.01 0.10 -0.04 1.41 1.57 2nx9B1 ALA 272 H 0.12 0.58 -0.09 -0.55 8.40 8.46 2nx9B1 ALA 272 HA 0.07 0.00 0.46 -0.75 4.34 4.12 2nx9B1 ALA 272 HB3 0.06 0.05 0.12 -0.04 1.41 1.60 2nx9B1 TYR 273 H 0.21 0.40 -0.28 -0.55 8.29 8.07 2nx9B1 TYR 273 HA -0.04 0.05 0.48 -0.75 4.56 4.29 2nx9B1 TYR 273 HB2 -0.05 0.04 0.14 -0.04 3.06 3.14 2nx9B1 TYR 273 HB3 -0.07 0.23 0.22 -0.04 2.98 3.32 2nx9B1 TYR 273 HD2 -0.68 -0.01 -0.09 -0.04 7.15 6.33 2nx9B1 TYR 273 HE2 -0.46 0.07 -0.04 -0.04 6.85 6.38 2nx9B1 PHE 274 H 0.35 0.37 -0.14 -0.55 8.34 8.36 2nx9B1 PHE 274 HA 0.01 0.06 0.34 -0.75 4.62 4.28 2nx9B1 PHE 274 HB2 0.14 -0.03 0.07 -0.04 3.15 3.29 2nx9B1 PHE 274 HB3 0.13 -0.02 -0.10 -0.04 3.06 3.02 2nx9B1 PHE 274 HD2 0.18 0.06 -0.04 -0.04 7.28 7.43 2nx9B1 PHE 274 HE2 0.11 0.01 -0.07 -0.04 7.38 7.38 2nx9B1 PHE 274 HZ 0.09 0.02 -0.07 -0.04 7.32 7.32 2nx9B1 ARG 275 H 0.13 0.44 -0.30 -0.55 8.46 8.18 2nx9B1 ARG 275 HA 0.09 0.05 0.45 -0.75 4.34 4.18 2nx9B1 ARG 275 HB2 0.07 -0.02 0.14 -0.04 1.90 2.05 2nx9B1 ARG 275 HB3 0.04 0.14 0.15 -0.04 1.80 2.08 2nx9B1 ARG 275 HG2 0.02 0.02 -0.19 -0.04 1.67 1.48 2nx9B1 ARG 275 HG3 0.04 -0.01 0.04 -0.04 1.67 1.70 2nx9B1 ARG 275 HD2 0.02 0.02 0.01 -0.04 3.22 3.23 2nx9B1 ARG 275 HD3 0.02 0.00 -0.02 -0.04 3.22 3.18 2nx9B1 ASP 276 H -0.05 0.39 -0.09 -0.55 8.40 8.10 2nx9B1 ASP 276 HA -0.05 0.02 0.52 -0.75 4.63 4.36 2nx9B1 ASP 276 HB2 -0.20 0.19 0.20 -0.04 2.71 2.85 2nx9B1 ASP 276 HB3 -0.13 -0.02 0.01 -0.04 2.70 2.52 2nx9B1 VAL 277 H -0.21 0.39 -0.14 -0.55 8.24 7.73 2nx9B1 VAL 277 HA -0.07 0.01 0.28 -0.75 4.13 3.59 2nx9B1 VAL 277 HB -0.08 -0.00 0.11 -0.04 2.12 2.10 2nx9B1 VAL 277 HG13 0.21 -0.01 -0.15 -0.04 0.97 0.98 2nx9B1 VAL 277 HG23 -0.56 0.05 0.03 -0.04 0.95 0.43 2nx9B1 ARG 278 H 0.08 0.71 -0.17 -0.55 8.46 8.52 2nx9B1 ARG 278 HA -0.18 -0.03 0.36 -0.75 4.34 3.74 2nx9B1 ARG 278 HB2 0.18 -0.04 0.04 -0.04 1.90 2.04 2nx9B1 ARG 278 HB3 0.08 0.12 0.10 -0.04 1.80 2.05 2nx9B1 ARG 278 HG2 0.03 -0.00 -0.15 -0.04 1.67 1.51 2nx9B1 ARG 278 HG3 -0.05 -0.08 -0.01 -0.04 1.67 1.49 2nx9B1 ARG 278 HD2 0.25 -0.08 0.02 -0.04 3.22 3.37 2nx9B1 ARG 278 HD3 0.13 0.10 0.05 -0.04 3.22 3.46 2nx9B1 LYS 279 H -0.01 0.42 -0.32 -0.55 8.42 7.96 2nx9B1 LYS 279 HA -0.02 -0.01 0.46 -0.75 4.32 3.99 2nx9B1 LYS 279 HB2 -0.05 0.41 0.26 -0.04 1.87 2.45 2nx9B1 LYS 279 HB3 -0.06 -0.07 -0.01 -0.04 1.79 1.60 2nx9B1 LYS 279 HG2 -0.04 -0.07 0.07 -0.04 1.46 1.38 2nx9B1 LYS 279 HG3 -0.02 0.14 0.10 -0.04 1.46 1.64 2nx9B1 LYS 279 HD2 -0.04 0.01 0.08 -0.04 1.69 1.69 2nx9B1 LYS 279 HD3 -0.05 -0.04 0.02 -0.04 1.68 1.57 2nx9B1 LYS 279 HE2 -0.02 0.02 -0.09 -0.04 2.99 2.86 2nx9B1 LYS 279 HE3 -0.03 -0.04 -0.02 -0.04 2.99 2.86 2nx9B1 LYS 280 H -0.06 0.37 -0.13 -0.55 8.42 8.04 2nx9B1 LYS 280 HA -0.14 0.01 0.44 -0.75 4.32 3.88 2nx9B1 LYS 280 HB2 -0.26 0.19 0.05 -0.04 1.87 1.80 2nx9B1 LYS 280 HB3 -0.32 -0.06 0.10 -0.04 1.79 1.48 2nx9B1 LYS 280 HG2 -0.11 -0.05 0.04 -0.04 1.46 1.31 2nx9B1 LYS 280 HG3 -0.09 0.12 0.07 -0.04 1.46 1.52 2nx9B1 LYS 280 HD2 -0.12 -0.02 0.02 -0.04 1.69 1.53 2nx9B1 LYS 280 HD3 -0.09 -0.03 -0.01 -0.04 1.68 1.51 2nx9B1 LYS 280 HE2 -0.04 -0.01 0.02 -0.04 2.99 2.91 2nx9B1 LYS 280 HE3 -0.14 0.02 0.00 -0.04 2.99 2.83 2nx9B1 TYR 281 H -0.04 0.45 -0.67 -0.55 8.29 7.49 2nx9B1 TYR 281 HA -0.02 0.16 0.86 -0.75 4.56 4.81 2nx9B1 TYR 281 HB2 -1.04 0.09 0.04 -0.04 3.06 2.12 2nx9B1 TYR 281 HB3 -0.24 -0.07 0.13 -0.04 2.98 2.76 2nx9B1 TYR 281 HD2 0.04 0.17 -0.07 -0.04 7.15 7.25 2nx9B1 TYR 281 HE2 0.08 0.11 -0.10 -0.04 6.85 6.89 2nx9B1 HIS 282 H 0.03 0.47 -0.15 -0.55 8.41 8.21 2nx9B1 HIS 282 HA -0.03 0.03 0.43 -0.75 4.63 4.30 2nx9B1 HIS 282 HB2 -0.06 0.08 0.20 -0.04 3.26 3.44 2nx9B1 HIS 282 HB3 -0.10 0.01 0.14 -0.04 3.20 3.21 2nx9B1 HIS 282 HD2 -0.08 -0.01 -0.09 -0.04 6.97 6.74 2nx9B1 HIS 282 HE1 -0.01 -0.02 -0.02 -0.04 7.75 7.66 2nx9B1 ALA 283 H -0.23 0.12 -0.33 -0.55 8.40 7.42 2nx9B1 ALA 283 HA -0.39 0.03 0.34 -0.75 4.34 3.57 2nx9B1 ALA 283 HB3 -0.75 0.00 0.02 -0.04 1.41 0.64 2nx9B1 PHE 284 H -0.14 0.46 -0.33 -0.55 8.34 7.78 2nx9B1 PHE 284 HA -0.02 0.16 0.62 -0.75 4.62 4.63 2nx9B1 PHE 284 HB2 0.22 0.06 -0.01 -0.04 3.15 3.38 2nx9B1 PHE 284 HB3 0.08 -0.11 -0.11 -0.04 3.06 2.88 2nx9B1 PHE 284 HD2 0.12 0.02 -0.06 -0.04 7.28 7.33 2nx9B1 PHE 284 HE2 -0.00 0.01 -0.04 -0.04 7.38 7.30 2nx9B1 PHE 284 HZ -0.01 0.02 -0.03 -0.04 7.32 7.25 2nx9B1 GLU 285 H -0.01 0.37 -0.16 -0.55 8.60 8.26 2nx9B1 GLU 285 HA 0.17 0.21 0.63 -0.75 4.29 4.54 2nx9B1 GLU 285 HB2 -0.02 0.11 0.16 -0.04 2.09 2.29 2nx9B1 GLU 285 HB3 0.11 0.01 0.10 -0.04 1.99 2.17 2nx9B1 GLU 285 HG2 0.12 0.02 0.01 -0.04 2.34 2.45 2nx9B1 GLU 285 HG3 0.11 -0.06 0.08 -0.04 2.34 2.42 2nx9B1 GLY 286 H 0.12 0.12 0.24 -0.55 8.43 8.36 2nx9B1 GLY 286 HA2 0.02 0.15 0.64 -0.51 4.01 4.31 2nx9B1 GLY 286 HA3 0.02 -0.10 0.40 -0.51 4.01 3.82 2nx9B1 MET 287 H 0.18 0.05 0.14 -0.55 8.47 8.29 2nx9B1 MET 287 HA 0.08 0.28 0.49 -0.75 4.52 4.62 2nx9B1 MET 287 HB2 0.07 -0.07 0.05 -0.04 2.15 2.16 2nx9B1 MET 287 HB3 0.05 -0.01 0.10 -0.04 2.03 2.13 2nx9B1 MET 287 HG2 0.03 0.01 -0.04 -0.04 2.63 2.59 2nx9B1 MET 287 HG3 0.03 -0.02 -0.00 -0.04 2.56 2.52 2nx9B1 MET 287 HE3 -0.01 -0.01 -0.21 -0.04 2.10 1.83 2nx9B1 MET 288 H 0.26 -0.00 -0.13 -0.55 8.47 8.05 2nx9B1 MET 288 HA -0.00 0.08 0.49 -0.75 4.52 4.33 2nx9B1 MET 288 HB2 -0.04 -0.06 0.06 -0.04 2.15 2.07 2nx9B1 MET 288 HB3 -0.56 -0.03 -0.02 -0.04 2.03 1.38 2nx9B1 MET 288 HG2 -0.09 0.09 -0.09 -0.04 2.63 2.49 2nx9B1 MET 288 HG3 -0.11 -0.07 -0.09 -0.04 2.56 2.25 2nx9B1 MET 288 HE3 -0.69 -0.03 -0.10 -0.04 2.10 1.24 2nx9B1 LYS 289 H -0.03 0.21 0.19 -0.55 8.42 8.24 2nx9B1 LYS 289 HA -0.03 0.13 0.78 -0.75 4.32 4.44 2nx9B1 LYS 289 HB2 -0.01 -0.01 0.13 -0.04 1.87 1.94 2nx9B1 LYS 289 HB3 -0.01 -0.02 0.04 -0.04 1.79 1.75 2nx9B1 LYS 289 HG2 0.01 0.10 -0.47 -0.04 1.46 1.06 2nx9B1 LYS 289 HG3 0.01 0.02 -0.04 -0.04 1.46 1.41 2nx9B1 LYS 289 HD2 0.01 -0.05 0.01 -0.04 1.69 1.62 2nx9B1 LYS 289 HD3 0.01 0.00 0.03 -0.04 1.68 1.69 2nx9B1 LYS 289 HE2 0.03 -0.01 -0.03 -0.04 2.99 2.93 2nx9B1 LYS 289 HE3 0.03 -0.02 -0.01 -0.04 2.99 2.94 2nx9B1 GLY 290 H -0.04 0.15 0.11 -0.55 8.43 8.10 2nx9B1 GLY 290 HA2 -0.04 0.00 0.33 -0.51 4.01 3.79 2nx9B1 GLY 290 HA3 -0.04 0.12 0.70 -0.51 4.01 4.29 2nx9B1 SER 291 H -0.05 0.22 0.23 -0.55 8.46 8.32 2nx9B1 SER 291 HA -0.09 0.23 0.78 -0.75 4.49 4.66 2nx9B1 SER 291 HB2 -0.04 -0.01 -0.10 -0.04 3.95 3.77 2nx9B1 SER 291 HB3 -0.05 -0.02 -0.29 -0.04 3.93 3.54 2nx9B1 ASP 292 H -0.06 0.72 0.32 -0.55 8.40 8.83 2nx9B1 ASP 292 HA -0.03 0.13 0.84 -0.75 4.63 4.82 2nx9B1 ASP 292 HB2 -0.07 0.08 0.05 -0.04 2.71 2.73 2nx9B1 ASP 292 HB3 -0.03 -0.04 0.15 -0.04 2.70 2.74 2nx9B1 ALA 293 H -0.02 0.30 0.15 -0.55 8.40 8.29 2nx9B1 ALA 293 HA -0.01 0.16 0.47 -0.75 4.34 4.20 2nx9B1 ALA 293 HB3 -0.01 0.05 0.07 -0.04 1.41 1.48 2nx9B1 ARG 294 H -0.01 0.07 -0.20 -0.55 8.46 7.78 2nx9B1 ARG 294 HA 0.00 0.15 0.54 -0.75 4.34 4.28 2nx9B1 ARG 294 HB2 0.00 -0.02 -0.01 -0.04 1.90 1.84 2nx9B1 ARG 294 HB3 0.01 0.05 0.01 -0.04 1.80 1.82 2nx9B1 ARG 294 HG2 0.00 0.07 0.01 -0.04 1.67 1.71 2nx9B1 ARG 294 HG3 -0.00 -0.07 0.04 -0.04 1.67 1.60 2nx9B1 ARG 294 HD2 0.01 0.02 -0.02 -0.04 3.22 3.18 2nx9B1 ARG 294 HD3 0.01 0.05 -0.00 -0.04 3.22 3.24 2nx9B1 ILE 295 H -0.00 0.19 -0.26 -0.55 8.25 7.63 2nx9B1 ILE 295 HA 0.01 0.21 0.46 -0.75 4.18 4.10 2nx9B1 ILE 295 HB -0.00 0.15 0.06 -0.04 1.89 2.05 2nx9B1 ILE 295 HG12 0.01 0.01 0.05 -0.04 1.49 1.51 2nx9B1 ILE 295 HG13 0.00 -0.10 0.01 -0.04 1.21 1.08 2nx9B1 ILE 295 HG23 0.01 0.03 -0.22 -0.04 0.93 0.70 2nx9B1 ILE 295 HD13 -0.00 0.04 0.00 -0.04 0.88 0.88 2nx9B1 LEU 296 H 0.00 0.21 -0.57 -0.55 8.37 7.46 2nx9B1 LEU 296 HA 0.01 0.05 0.20 -0.75 4.35 3.85 2nx9B1 LEU 296 HB2 0.00 0.18 0.09 -0.04 1.64 1.87 2nx9B1 LEU 296 HB3 0.00 0.01 0.06 -0.04 1.64 1.67 2nx9B1 LEU 296 HG -0.01 -0.04 0.06 -0.04 1.64 1.61 2nx9B1 LEU 296 HD13 -0.01 0.02 0.02 -0.04 0.93 0.93 2nx9B1 LEU 296 HD23 -0.00 -0.00 -0.06 -0.04 0.89 0.79 2nx9B1 VAL 297 H 0.01 0.26 -0.35 -0.55 8.24 7.61 2nx9B1 VAL 297 HA 0.01 0.08 0.38 -0.75 4.13 3.84 2nx9B1 VAL 297 HB 0.01 0.04 0.12 -0.04 2.12 2.25 2nx9B1 VAL 297 HG13 0.01 -0.00 -0.08 -0.04 0.97 0.86 2nx9B1 VAL 297 HG23 0.01 0.02 0.07 -0.04 0.95 1.01 2nx9B1 ALA 298 H 0.01 -0.01 -0.11 -0.55 8.40 7.75 2nx9B1 ALA 298 HA 0.02 0.17 0.54 -0.75 4.34 4.32 2nx9B1 ALA 298 HB3 0.02 0.03 -0.05 -0.04 1.41 1.37 2nx9B1 GLN 299 H 0.02 0.30 0.10 -0.55 8.47 8.34 2nx9B1 GLN 299 HA 0.02 0.10 0.28 -0.75 4.36 4.01 2nx9B1 GLN 299 HB2 0.02 0.25 -0.25 -0.04 2.15 2.13 2nx9B1 GLN 299 HB3 0.02 -0.10 0.21 -0.04 2.02 2.10 2nx9B1 GLN 299 HG2 0.03 -0.05 -0.04 -0.04 2.40 2.29 2nx9B1 GLN 299 HG3 0.04 -0.06 -0.02 -0.04 2.39 2.31 2nx9B1 GLN 299 HE21 0.02 0.09 -0.15 -0.04 6.97 6.89 2nx9B1 GLN 299 HE22 0.02 0.06 -0.22 -0.04 7.69 7.51 2nx9B1 VAL 300 H 0.01 0.06 -0.15 -0.55 8.24 7.61 2nx9B1 VAL 300 HA 0.01 0.17 0.70 -0.75 4.13 4.26 2nx9B1 VAL 300 HB 0.01 -0.05 0.04 -0.04 2.12 2.07 2nx9B1 VAL 300 HG13 0.01 0.02 -0.12 -0.04 0.97 0.84 2nx9B1 VAL 300 HG23 0.01 0.02 -0.09 -0.04 0.95 0.85 2nx9B1 PRO 301 HA 0.00 0.11 0.50 -0.51 4.44 4.54 2nx9B1 PRO 301 HB2 -0.00 -0.24 -0.01 -0.04 2.28 1.99 2nx9B1 PRO 301 HB3 -0.01 0.01 0.12 -0.04 2.02 2.10 2nx9B1 PRO 301 HG2 0.00 0.08 0.06 -0.04 2.03 2.13 2nx9B1 PRO 301 HG3 0.00 0.08 0.14 -0.04 2.03 2.22 2nx9B1 PRO 301 HD2 0.01 -0.00 0.21 -0.04 3.68 3.86 2nx9B1 PRO 301 HD3 0.01 0.49 0.38 -0.04 3.65 4.49 2nx9B1 GLY 302 H 0.01 0.22 0.19 -0.55 8.43 8.30 2nx9B1 GLY 302 HA2 0.02 0.09 0.31 -0.51 4.01 3.92 2nx9B1 GLY 302 HA3 0.04 0.10 0.34 -0.51 4.01 3.98 2nx9B1 GLY 303 H -0.00 0.10 -0.10 -0.55 8.43 7.88 2nx9B1 GLY 303 HA2 -0.00 0.13 0.38 -0.51 4.01 4.01 2nx9B1 GLY 303 HA3 -0.01 0.05 0.23 -0.51 4.01 3.77 2nx9B1 MET 304 H 0.00 0.06 -0.36 -0.55 8.47 7.62 2nx9B1 MET 304 HA 0.00 0.01 0.29 -0.75 4.52 4.08 2nx9B1 MET 304 HB2 0.00 -0.10 -0.01 -0.04 2.15 2.01 2nx9B1 MET 304 HB3 0.01 0.18 0.01 -0.04 2.03 2.19 2nx9B1 MET 304 HG2 0.00 0.02 -0.17 -0.04 2.63 2.44 2nx9B1 MET 304 HG3 0.00 -0.06 -0.14 -0.04 2.56 2.32 2nx9B1 MET 304 HE3 0.00 0.02 0.00 -0.04 2.10 2.09 2nx9B1 LEU 305 H 0.01 0.49 -0.19 -0.55 8.37 8.14 2nx9B1 LEU 305 HA 0.01 0.03 0.37 -0.75 4.35 4.01 2nx9B1 LEU 305 HB2 0.01 0.03 -0.02 -0.04 1.64 1.62 2nx9B1 LEU 305 HB3 0.02 0.06 0.08 -0.04 1.64 1.76 2nx9B1 LEU 305 HG 0.01 0.01 -0.28 -0.04 1.64 1.34 2nx9B1 LEU 305 HD13 0.01 -0.00 -0.04 -0.04 0.93 0.85 2nx9B1 LEU 305 HD23 0.01 -0.00 -0.07 -0.04 0.89 0.79 2nx9B1 THR 306 H 0.02 0.62 -0.03 -0.55 8.28 8.33 2nx9B1 THR 306 HA 0.02 -0.00 0.39 -0.75 4.39 4.03 2nx9B1 THR 306 HB 0.01 0.10 0.15 -0.04 4.32 4.53 2nx9B1 THR 306 HG23 0.01 -0.00 -0.05 -0.04 1.22 1.13 2nx9B1 ASN 307 H 0.01 0.51 -0.32 -0.55 8.53 8.17 2nx9B1 ASN 307 HA 0.01 0.03 0.41 -0.75 4.76 4.46 2nx9B1 ASN 307 HB2 0.01 -0.01 0.06 -0.04 2.88 2.89 2nx9B1 ASN 307 HB3 0.01 0.07 0.11 -0.04 2.79 2.94 2nx9B1 ASN 307 HD21 0.01 0.01 0.00 -0.04 7.03 7.01 2nx9B1 ASN 307 HD22 0.01 0.02 0.04 -0.04 7.74 7.77 2nx9B1 MET 308 H 0.01 0.56 -0.02 -0.55 8.47 8.46 2nx9B1 MET 308 HA 0.00 0.03 0.48 -0.75 4.52 4.28 2nx9B1 MET 308 HB2 0.00 0.05 0.13 -0.04 2.15 2.29 2nx9B1 MET 308 HB3 -0.00 -0.03 0.00 -0.04 2.03 1.96 2nx9B1 MET 308 HG2 -0.00 -0.02 -0.06 -0.04 2.63 2.51 2nx9B1 MET 308 HG3 0.00 0.15 0.01 -0.04 2.56 2.68 2nx9B1 MET 308 HE3 0.00 -0.00 -0.23 -0.04 2.10 1.83 2nx9B1 GLU 309 H 0.01 0.66 -0.12 -0.55 8.60 8.61 2nx9B1 GLU 309 HA 0.00 0.02 0.48 -0.75 4.29 4.04 2nx9B1 GLU 309 HB2 0.01 -0.05 0.05 -0.04 2.09 2.06 2nx9B1 GLU 309 HB3 0.01 -0.04 0.04 -0.04 1.99 1.96 2nx9B1 GLU 309 HG2 0.01 0.21 0.17 -0.04 2.34 2.69 2nx9B1 GLU 309 HG3 0.01 0.03 -0.03 -0.04 2.34 2.30 2nx9B1 SER 310 H 0.01 0.49 -0.11 -0.55 8.46 8.30 2nx9B1 SER 310 HA 0.01 0.02 0.50 -0.75 4.49 4.27 2nx9B1 SER 310 HB2 0.01 0.12 0.20 -0.04 3.95 4.24 2nx9B1 SER 310 HB3 0.01 -0.00 -0.03 -0.04 3.93 3.87 2nx9B1 GLN 311 H 0.01 0.47 -0.10 -0.55 8.47 8.30 2nx9B1 GLN 311 HA 0.00 0.02 0.31 -0.75 4.36 3.94 2nx9B1 GLN 311 HB2 0.00 0.11 0.14 -0.04 2.15 2.36 2nx9B1 GLN 311 HB3 0.00 -0.02 -0.02 -0.04 2.02 1.94 2nx9B1 GLN 311 HG2 0.01 -0.03 0.03 -0.04 2.40 2.37 2nx9B1 GLN 311 HG3 0.01 0.25 0.11 -0.04 2.39 2.72 2nx9B1 GLN 311 HE21 0.00 -0.10 -0.04 -0.04 6.97 6.80 2nx9B1 GLN 311 HE22 0.01 0.02 -0.08 -0.04 7.69 7.59 2nx9B1 LEU 312 H 0.00 0.43 -0.32 -0.55 8.37 7.94 2nx9B1 LEU 312 HA -0.00 0.08 0.32 -0.75 4.35 3.99 2nx9B1 LEU 312 HB2 0.00 0.05 0.12 -0.04 1.64 1.76 2nx9B1 LEU 312 HB3 -0.00 -0.03 -0.18 -0.04 1.64 1.39 2nx9B1 LEU 312 HG -0.00 0.04 -0.01 -0.04 1.64 1.63 2nx9B1 LEU 312 HD13 -0.00 -0.04 -0.12 -0.04 0.93 0.73 2nx9B1 LEU 312 HD23 -0.01 0.04 -0.03 -0.04 0.89 0.85 2nx9B1 LYS 313 H 0.00 0.55 -0.15 -0.55 8.42 8.27 2nx9B1 LYS 313 HA 0.00 -0.12 0.49 -0.75 4.32 3.95 2nx9B1 LYS 313 HB2 0.00 -0.02 0.14 -0.04 1.87 1.96 2nx9B1 LYS 313 HB3 0.01 0.13 0.18 -0.04 1.79 2.06 2nx9B1 LYS 313 HG2 0.00 0.03 -0.08 -0.04 1.46 1.38 2nx9B1 LYS 313 HG3 0.00 -0.09 0.05 -0.04 1.46 1.38 2nx9B1 LYS 313 HD2 0.01 -0.05 -0.00 -0.04 1.69 1.60 2nx9B1 LYS 313 HD3 0.01 0.04 -0.00 -0.04 1.68 1.68 2nx9B1 LYS 313 HE2 0.01 0.03 -0.07 -0.04 2.99 2.91 2nx9B1 LYS 313 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.91 2nx9B1 GLN 314 H 0.00 0.62 -0.08 -0.55 8.47 8.47 2nx9B1 GLN 314 HA 0.01 -0.00 0.40 -0.75 4.36 4.01 2nx9B1 GLN 314 HB2 0.01 0.12 0.03 -0.04 2.15 2.26 2nx9B1 GLN 314 HB3 0.01 -0.05 0.07 -0.04 2.02 2.01 2nx9B1 GLN 314 HG2 0.01 -0.05 0.01 -0.04 2.40 2.33 2nx9B1 GLN 314 HG3 0.01 0.15 0.02 -0.04 2.39 2.52 2nx9B1 GLN 314 HE21 0.01 -0.04 -0.06 -0.04 6.97 6.84 2nx9B1 GLN 314 HE22 0.01 -0.01 -0.04 -0.04 7.69 7.61 2nx9B1 GLN 315 H 0.00 0.11 -0.96 -0.55 8.47 7.08 2nx9B1 GLN 315 HA 0.00 0.06 0.33 -0.75 4.36 4.00 2nx9B1 GLN 315 HB2 -0.00 0.14 0.04 -0.04 2.15 2.28 2nx9B1 GLN 315 HB3 -0.00 0.03 -0.06 -0.04 2.02 1.94 2nx9B1 GLN 315 HG2 -0.00 -0.05 -0.08 -0.04 2.40 2.23 2nx9B1 GLN 315 HG3 -0.00 -0.01 -0.03 -0.04 2.39 2.31 2nx9B1 GLN 315 HE21 0.00 -0.08 -0.06 -0.04 6.97 6.79 2nx9B1 GLN 315 HE22 -0.00 0.01 -0.03 -0.04 7.69 7.62 2nx9B1 ASN 316 H 0.00 -0.03 0.08 -0.55 8.53 8.03 2nx9B1 ASN 316 HA 0.00 0.22 0.35 -0.75 4.76 4.58 2nx9B1 ASN 316 HB2 0.00 -0.33 0.29 -0.04 2.88 2.80 2nx9B1 ASN 316 HB3 0.00 0.19 0.15 -0.04 2.79 3.09 2nx9B1 ASN 316 HD21 0.00 -0.01 0.03 -0.04 7.03 7.01 2nx9B1 ASN 316 HD22 0.00 0.06 0.03 -0.04 7.74 7.79 2nx9B1 ALA 317 H -0.00 0.11 0.16 -0.55 8.40 8.12 2nx9B1 ALA 317 HA -0.00 0.14 0.44 -0.75 4.34 4.16 2nx9B1 ALA 317 HB3 -0.00 0.00 0.06 -0.04 1.41 1.43 2nx9B1 LEU 318 H 0.00 0.19 0.14 -0.55 8.37 8.15 2nx9B1 LEU 318 HA 0.00 0.16 0.46 -0.75 4.35 4.22 2nx9B1 LEU 318 HB2 0.00 0.06 0.09 -0.04 1.64 1.76 2nx9B1 LEU 318 HB3 0.00 0.02 0.03 -0.04 1.64 1.65 2nx9B1 LEU 318 HG 0.00 -0.05 0.06 -0.04 1.64 1.61 2nx9B1 LEU 318 HD13 0.00 0.01 0.06 -0.04 0.93 0.96 2nx9B1 LEU 318 HD23 0.00 0.02 0.01 -0.04 0.89 0.88 2nx9B1 ASP 319 H -0.00 0.11 -0.12 -0.55 8.40 7.84 2nx9B1 ASP 319 HA -0.00 0.12 0.56 -0.75 4.63 4.55 2nx9B1 ASP 319 HB2 -0.00 0.05 0.17 -0.04 2.71 2.88 2nx9B1 ASP 319 HB3 0.00 0.01 0.09 -0.04 2.70 2.76 2nx9B1 LYS 320 H -0.00 0.24 -0.72 -0.55 8.42 7.38 2nx9B1 LYS 320 HA -0.01 0.19 0.83 -0.75 4.32 4.58 2nx9B1 LYS 320 HB2 -0.01 0.16 0.01 -0.04 1.87 2.00 2nx9B1 LYS 320 HB3 -0.01 -0.02 0.12 -0.04 1.79 1.84 2nx9B1 LYS 320 HG2 -0.00 -0.13 -0.17 -0.04 1.46 1.11 2nx9B1 LYS 320 HG3 -0.01 0.12 -0.02 -0.04 1.46 1.51 2nx9B1 LYS 320 HD2 -0.01 -0.01 0.01 -0.04 1.69 1.64 2nx9B1 LYS 320 HD3 -0.01 0.05 -0.12 -0.04 1.68 1.56 2nx9B1 LYS 320 HE2 -0.00 -0.00 -0.03 -0.04 2.99 2.91 2nx9B1 LYS 320 HE3 -0.00 -0.04 -0.06 -0.04 2.99 2.85 2nx9B1 LEU 321 H -0.00 0.34 -0.22 -0.55 8.37 7.94 2nx9B1 LEU 321 HA -0.00 0.08 0.36 -0.75 4.35 4.03 2nx9B1 LEU 321 HB2 0.00 0.17 0.17 -0.04 1.64 1.94 2nx9B1 LEU 321 HB3 0.00 -0.02 0.14 -0.04 1.64 1.71 2nx9B1 LEU 321 HG 0.00 -0.03 -0.24 -0.04 1.64 1.34 2nx9B1 LEU 321 HD13 0.00 -0.01 -0.03 -0.04 0.93 0.84 2nx9B1 LEU 321 HD23 0.00 0.00 -0.02 -0.04 0.89 0.84 2nx9B1 ASP 322 H -0.00 0.17 -0.11 -0.55 8.40 7.91 2nx9B1 ASP 322 HA 0.00 0.06 0.40 -0.75 4.63 4.34 2nx9B1 ASP 322 HB2 -0.00 0.03 0.03 -0.04 2.71 2.73 2nx9B1 ASP 322 HB3 0.00 0.05 -0.01 -0.04 2.70 2.70 2nx9B1 LEU 323 H -0.01 0.12 -0.39 -0.55 8.37 7.55 2nx9B1 LEU 323 HA -0.01 0.06 0.42 -0.75 4.35 4.07 2nx9B1 LEU 323 HB2 -0.01 0.14 0.09 -0.04 1.64 1.82 2nx9B1 LEU 323 HB3 -0.02 0.04 -0.01 -0.04 1.64 1.61 2nx9B1 LEU 323 HG -0.01 -0.10 0.01 -0.04 1.64 1.50 2nx9B1 LEU 323 HD13 -0.01 0.02 0.03 -0.04 0.93 0.92 2nx9B1 LEU 323 HD23 -0.01 0.01 -0.01 -0.04 0.89 0.84 2nx9B1 VAL 324 H -0.01 0.52 -0.07 -0.55 8.24 8.12 2nx9B1 VAL 324 HA -0.02 0.07 0.46 -0.75 4.13 3.89 2nx9B1 VAL 324 HB -0.01 0.08 0.13 -0.04 2.12 2.28 2nx9B1 VAL 324 HG13 -0.01 -0.03 -0.18 -0.04 0.97 0.71 2nx9B1 VAL 324 HG23 -0.02 0.06 0.01 -0.04 0.95 0.96 2nx9B1 LEU 325 H -0.00 0.56 -0.19 -0.55 8.37 8.19 2nx9B1 LEU 325 HA 0.00 -0.02 0.45 -0.75 4.35 4.02 2nx9B1 LEU 325 HB2 0.00 0.11 0.16 -0.04 1.64 1.88 2nx9B1 LEU 325 HB3 0.01 -0.03 -0.00 -0.04 1.64 1.57 2nx9B1 LEU 325 HG 0.00 0.15 -0.04 -0.04 1.64 1.71 2nx9B1 LEU 325 HD13 0.00 -0.03 -0.08 -0.04 0.93 0.79 2nx9B1 LEU 325 HD23 0.01 -0.03 -0.05 -0.04 0.89 0.78 2nx9B1 GLU 326 H -0.00 0.57 -0.09 -0.55 8.60 8.52 2nx9B1 GLU 326 HA 0.01 0.03 0.51 -0.75 4.29 4.08 2nx9B1 GLU 326 HB2 -0.00 0.10 0.16 -0.04 2.09 2.30 2nx9B1 GLU 326 HB3 -0.00 -0.04 0.03 -0.04 1.99 1.93 2nx9B1 GLU 326 HG2 0.00 -0.03 0.03 -0.04 2.34 2.30 2nx9B1 GLU 326 HG3 0.00 0.03 0.03 -0.04 2.34 2.36 2nx9B1 GLU 327 H -0.01 0.30 -0.44 -0.55 8.60 7.90 2nx9B1 GLU 327 HA -0.02 0.01 0.47 -0.75 4.29 3.99 2nx9B1 GLU 327 HB2 -0.04 0.11 0.10 -0.04 2.09 2.22 2nx9B1 GLU 327 HB3 -0.03 0.14 0.17 -0.04 1.99 2.23 2nx9B1 GLU 327 HG2 -0.08 0.15 0.07 -0.04 2.34 2.43 2nx9B1 GLU 327 HG3 -0.07 -0.11 -0.10 -0.04 2.34 2.03 2nx9B1 ILE 328 H -0.01 0.42 -0.14 -0.55 8.25 7.97 2nx9B1 ILE 328 HA -0.01 -0.04 0.35 -0.75 4.18 3.73 2nx9B1 ILE 328 HB 0.01 0.18 0.10 -0.04 1.89 2.14 2nx9B1 ILE 328 HG12 -0.00 -0.11 -0.03 -0.04 1.49 1.31 2nx9B1 ILE 328 HG13 -0.01 0.33 0.14 -0.04 1.21 1.63 2nx9B1 ILE 328 HG23 0.01 -0.04 -0.13 -0.04 0.93 0.74 2nx9B1 ILE 328 HD13 0.00 -0.02 -0.02 -0.04 0.88 0.80 2nx9B1 PRO 329 HA 0.07 0.01 0.40 -0.51 4.44 4.40 2nx9B1 PRO 329 HB2 0.04 0.09 0.01 -0.04 2.28 2.37 2nx9B1 PRO 329 HB3 0.06 -0.00 0.07 -0.04 2.02 2.11 2nx9B1 PRO 329 HG2 0.03 0.07 0.08 -0.04 2.03 2.16 2nx9B1 PRO 329 HG3 0.04 0.01 0.07 -0.04 2.03 2.10 2nx9B1 PRO 329 HD2 0.01 0.22 -0.42 -0.04 3.68 3.45 2nx9B1 PRO 329 HD3 0.02 0.15 0.11 -0.04 3.65 3.88 2nx9B1 ARG 330 H 0.01 0.33 -0.40 -0.55 8.46 7.85 2nx9B1 ARG 330 HA 0.01 0.04 0.45 -0.75 4.34 4.08 2nx9B1 ARG 330 HB2 -0.00 0.15 0.15 -0.04 1.90 2.16 2nx9B1 ARG 330 HB3 0.01 -0.05 0.03 -0.04 1.80 1.76 2nx9B1 ARG 330 HG2 0.02 -0.05 0.01 -0.04 1.67 1.60 2nx9B1 ARG 330 HG3 0.01 0.22 0.09 -0.04 1.67 1.94 2nx9B1 ARG 330 HD2 0.01 -0.04 0.00 -0.04 3.22 3.15 2nx9B1 ARG 330 HD3 0.01 -0.02 -0.01 -0.04 3.22 3.16 2nx9B1 VAL 331 H -0.00 0.58 0.03 -0.55 8.24 8.30 2nx9B1 VAL 331 HA 0.09 0.01 0.44 -0.75 4.13 3.92 2nx9B1 VAL 331 HB -0.01 0.10 0.14 -0.04 2.12 2.31 2nx9B1 VAL 331 HG13 0.04 -0.01 -0.12 -0.04 0.97 0.84 2nx9B1 VAL 331 HG23 -0.06 0.02 -0.02 -0.04 0.95 0.85 2nx9B1 ARG 332 H -0.02 0.75 -0.07 -0.55 8.46 8.57 2nx9B1 ARG 332 HA -0.05 0.01 0.31 -0.75 4.34 3.86 2nx9B1 ARG 332 HB2 0.02 0.08 0.04 -0.04 1.90 2.00 2nx9B1 ARG 332 HB3 0.05 0.06 0.04 -0.04 1.80 1.92 2nx9B1 ARG 332 HG2 0.06 -0.15 -0.06 -0.04 1.67 1.48 2nx9B1 ARG 332 HG3 0.04 -0.00 -0.03 -0.04 1.67 1.63 2nx9B1 ARG 332 HD2 0.09 -0.05 -0.05 -0.04 3.22 3.16 2nx9B1 ARG 332 HD3 0.22 0.01 -0.05 -0.04 3.22 3.35 2nx9B1 GLU 333 H -0.21 0.47 -0.19 -0.55 8.60 8.12 2nx9B1 GLU 333 HA -1.78 -0.02 0.50 -0.75 4.29 2.23 2nx9B1 GLU 333 HB2 -0.30 0.04 0.15 -0.04 2.09 1.94 2nx9B1 GLU 333 HB3 -0.19 0.16 0.18 -0.04 1.99 2.09 2nx9B1 GLU 333 HG2 -0.23 0.01 -0.27 -0.04 2.34 1.80 2nx9B1 GLU 333 HG3 -0.45 -0.04 0.01 -0.04 2.34 1.82 2nx9B1 GLU 334 H -0.15 0.51 -0.10 -0.55 8.60 8.31 2nx9B1 GLU 334 HA -0.13 0.02 0.41 -0.75 4.29 3.84 2nx9B1 GLU 334 HB2 0.02 0.09 0.15 -0.04 2.09 2.30 2nx9B1 GLU 334 HB3 -0.09 -0.11 0.16 -0.04 1.99 1.90 2nx9B1 GLU 334 HG2 -0.05 -0.06 0.05 -0.04 2.34 2.24 2nx9B1 GLU 334 HG3 -0.04 0.22 0.14 -0.04 2.34 2.63 2nx9B1 LEU 335 H -0.17 0.25 -0.85 -0.55 8.37 7.05 2nx9B1 LEU 335 HA -0.09 0.09 0.87 -0.75 4.35 4.46 2nx9B1 LEU 335 HB2 -0.07 0.08 0.09 -0.04 1.64 1.70 2nx9B1 LEU 335 HB3 -0.07 -0.08 0.19 -0.04 1.64 1.63 2nx9B1 LEU 335 HG -0.02 0.04 -0.16 -0.04 1.64 1.46 2nx9B1 LEU 335 HD13 -0.01 -0.04 -0.08 -0.04 0.93 0.76 2nx9B1 LEU 335 HD23 -0.06 -0.01 0.03 -0.04 0.89 0.81 2nx9B1 GLY 336 H -0.23 0.60 -0.12 -0.55 8.43 8.14 2nx9B1 GLY 336 HA2 -0.10 0.16 0.11 -0.51 4.01 3.67 2nx9B1 GLY 336 HA3 -0.05 0.10 0.28 -0.51 4.01 3.83 2nx9B1 PHE 337 H -0.34 0.54 0.05 -0.55 8.34 8.04 2nx9B1 PHE 337 HA 0.03 -0.00 0.12 -0.75 4.62 4.01 2nx9B1 PHE 337 HB2 0.00 0.12 -0.20 -0.04 3.15 3.03 2nx9B1 PHE 337 HB3 0.12 -0.09 0.10 -0.04 3.06 3.15 2nx9B1 PHE 337 HD2 -0.00 0.05 -0.13 -0.04 7.28 7.16 2nx9B1 PHE 337 HE2 -0.00 0.05 -0.01 -0.04 7.38 7.38 2nx9B1 PHE 337 HZ 0.00 0.02 0.02 -0.04 7.32 7.33 2nx9B1 LEU 338 H 0.03 0.15 -0.29 -0.55 8.37 7.72 2nx9B1 LEU 338 HA 0.09 0.13 0.52 -0.75 4.35 4.33 2nx9B1 LEU 338 HB2 0.00 0.01 -0.06 -0.04 1.64 1.55 2nx9B1 LEU 338 HB3 -0.00 0.01 0.08 -0.04 1.64 1.69 2nx9B1 LEU 338 HG -0.04 0.39 0.06 -0.04 1.64 2.01 2nx9B1 LEU 338 HD13 -0.01 -0.05 -0.00 -0.04 0.93 0.82 2nx9B1 LEU 338 HD23 -0.09 -0.03 0.01 -0.04 0.89 0.73 2nx9B1 PRO 339 HA -0.00 -0.01 0.37 -0.51 4.44 4.28 2nx9B1 PRO 339 HB2 0.07 -0.09 -0.08 -0.04 2.28 2.14 2nx9B1 PRO 339 HB3 0.04 0.03 -0.04 -0.04 2.02 2.02 2nx9B1 PRO 339 HG2 0.10 0.57 0.35 -0.04 2.03 3.00 2nx9B1 PRO 339 HG3 0.11 0.04 0.03 -0.04 2.03 2.17 2nx9B1 PRO 339 HD2 0.08 0.01 0.31 -0.04 3.68 4.04 2nx9B1 PRO 339 HD3 0.13 0.25 0.25 -0.04 3.65 4.25 2nx9B1 LEU 340 H 0.01 0.14 0.12 -0.55 8.37 8.10 2nx9B1 LEU 340 HA 0.02 0.09 0.70 -0.75 4.35 4.41 2nx9B1 LEU 340 HB2 0.01 0.03 0.29 -0.04 1.64 1.93 2nx9B1 LEU 340 HB3 0.01 -0.12 0.16 -0.04 1.64 1.66 2nx9B1 LEU 340 HG 0.03 0.07 0.06 -0.04 1.64 1.75 2nx9B1 LEU 340 HD13 0.02 0.02 0.04 -0.04 0.93 0.98 2nx9B1 LEU 340 HD23 0.02 0.02 -0.08 -0.04 0.89 0.81 2nx9B1 VAL 341 H 0.03 0.48 0.02 -0.55 8.24 8.22 2nx9B1 VAL 341 HA 0.02 0.05 0.71 -0.75 4.13 4.15 2nx9B1 VAL 341 HB 0.08 0.16 -0.13 -0.04 2.12 2.20 2nx9B1 VAL 341 HG13 0.11 0.03 -0.11 -0.04 0.97 0.95 2nx9B1 VAL 341 HG23 0.05 -0.03 -0.29 -0.04 0.95 0.64 2nx9B1 THR 342 H 0.03 0.16 0.10 -0.55 8.28 8.02 2nx9B1 THR 342 HA 0.04 -0.10 0.49 -0.75 4.39 4.07 2nx9B1 THR 342 HB 0.05 0.04 0.08 -0.04 4.32 4.44 2nx9B1 THR 342 HG23 0.04 0.04 -0.04 -0.04 1.22 1.21 2nx9B1 PRO 343 HA 0.05 -0.04 0.37 -0.51 4.44 4.30 2nx9B1 PRO 343 HB2 0.07 0.04 0.09 -0.04 2.28 2.44 2nx9B1 PRO 343 HB3 0.06 0.08 0.07 -0.04 2.02 2.18 2nx9B1 PRO 343 HG2 0.11 0.05 -0.04 -0.04 2.03 2.11 2nx9B1 PRO 343 HG3 0.07 0.13 0.03 -0.04 2.03 2.21 2nx9B1 PRO 343 HD2 0.08 0.04 0.14 -0.04 3.68 3.90 2nx9B1 PRO 343 HD3 0.08 0.18 0.41 -0.04 3.65 4.28 2nx9B1 THR 344 H 0.05 0.37 0.08 -0.55 8.28 8.23 2nx9B1 THR 344 HA -0.04 0.07 0.42 -0.75 4.39 4.09 2nx9B1 THR 344 HB -0.04 0.04 0.06 -0.04 4.32 4.34 2nx9B1 THR 344 HG23 -0.04 -0.01 -0.06 -0.04 1.22 1.07 2nx9B1 SER 345 H 0.02 0.19 -0.30 -0.55 8.46 7.83 2nx9B1 SER 345 HA 0.00 0.19 0.51 -0.75 4.49 4.44 2nx9B1 SER 345 HB2 0.01 0.02 -0.08 -0.04 3.95 3.86 2nx9B1 SER 345 HB3 0.01 -0.02 -0.20 -0.04 3.93 3.67 2nx9B1 GLN 346 H 0.01 0.16 -0.21 -0.55 8.47 7.89 2nx9B1 GLN 346 HA 0.01 0.06 0.45 -0.75 4.36 4.12 2nx9B1 GLN 346 HB2 0.02 0.13 0.04 -0.04 2.15 2.30 2nx9B1 GLN 346 HB3 0.02 0.05 0.03 -0.04 2.02 2.08 2nx9B1 GLN 346 HG2 0.01 -0.02 -0.08 -0.04 2.40 2.27 2nx9B1 GLN 346 HG3 0.01 -0.08 -0.04 -0.04 2.39 2.25 2nx9B1 GLN 346 HE21 0.01 0.07 -0.03 -0.04 6.97 6.98 2nx9B1 GLN 346 HE22 0.01 -0.05 -0.08 -0.04 7.69 7.52 2nx9B1 ILE 347 H -0.01 0.19 -0.49 -0.55 8.25 7.39 2nx9B1 ILE 347 HA -0.01 0.02 0.53 -0.75 4.18 3.97 2nx9B1 ILE 347 HB -0.08 0.24 0.10 -0.04 1.89 2.11 2nx9B1 ILE 347 HG12 -0.01 -0.09 -0.03 -0.04 1.49 1.32 2nx9B1 ILE 347 HG13 -0.01 0.07 0.01 -0.04 1.21 1.23 2nx9B1 ILE 347 HG23 -0.09 -0.02 -0.23 -0.04 0.93 0.54 2nx9B1 ILE 347 HD13 -0.21 0.01 -0.05 -0.04 0.88 0.58 2nx9B1 VAL 348 H -0.02 0.35 -0.15 -0.55 8.24 7.88 2nx9B1 VAL 348 HA -0.01 0.06 0.40 -0.75 4.13 3.83 2nx9B1 VAL 348 HB -0.00 0.03 0.17 -0.04 2.12 2.28 2nx9B1 VAL 348 HG13 -0.00 -0.01 -0.12 -0.04 0.97 0.80 2nx9B1 VAL 348 HG23 -0.02 0.07 0.01 -0.04 0.95 0.97 2nx9B1 GLY 349 H -0.00 0.73 0.06 -0.55 8.43 8.67 2nx9B1 GLY 349 HA2 -0.01 0.04 0.32 -0.51 4.01 3.85 2nx9B1 GLY 349 HA3 -0.00 0.04 0.26 -0.51 4.01 3.80 2nx9B1 THR 350 H -0.00 0.43 -0.26 -0.55 8.28 7.91 2nx9B1 THR 350 HA -0.00 0.05 0.43 -0.75 4.39 4.11 2nx9B1 THR 350 HB 0.00 0.03 0.15 -0.04 4.32 4.47 2nx9B1 THR 350 HG23 0.01 -0.01 -0.08 -0.04 1.22 1.10 2nx9B1 GLN 351 H -0.00 0.43 -0.11 -0.55 8.47 8.25 2nx9B1 GLN 351 HA -0.01 -0.01 0.48 -0.75 4.36 4.06 2nx9B1 GLN 351 HB2 0.02 -0.03 0.20 -0.04 2.15 2.30 2nx9B1 GLN 351 HB3 0.01 0.15 0.15 -0.04 2.02 2.28 2nx9B1 GLN 351 HG2 0.17 0.02 0.04 -0.04 2.40 2.58 2nx9B1 GLN 351 HG3 -0.04 0.00 -0.07 -0.04 2.39 2.24 2nx9B1 GLN 351 HE21 0.08 0.57 0.33 -0.04 6.97 7.90 2nx9B1 GLN 351 HE22 -0.14 -0.10 0.14 -0.04 7.69 7.55 2nx9B1 ALA 352 H -0.03 0.52 -0.31 -0.55 8.40 8.04 2nx9B1 ALA 352 HA -0.10 0.00 0.44 -0.75 4.34 3.93 2nx9B1 ALA 352 HB3 -0.03 0.03 0.02 -0.04 1.41 1.38 2nx9B1 VAL 353 H -0.03 0.54 -0.04 -0.55 8.24 8.17 2nx9B1 VAL 353 HA -0.02 -0.01 0.43 -0.75 4.13 3.76 2nx9B1 VAL 353 HB -0.01 0.10 0.20 -0.04 2.12 2.37 2nx9B1 VAL 353 HG13 -0.01 -0.01 -0.19 -0.04 0.97 0.72 2nx9B1 VAL 353 HG23 -0.01 0.03 0.06 -0.04 0.95 0.98 2nx9B1 ILE 354 H -0.03 0.56 -0.09 -0.55 8.25 8.14 2nx9B1 ILE 354 HA -0.02 0.04 0.43 -0.75 4.18 3.87 2nx9B1 ILE 354 HB -0.04 0.12 0.21 -0.04 1.89 2.14 2nx9B1 ILE 354 HG12 -0.01 -0.00 0.01 -0.04 1.49 1.45 2nx9B1 ILE 354 HG13 -0.01 0.18 0.07 -0.04 1.21 1.40 2nx9B1 ILE 354 HG23 -0.02 -0.01 -0.09 -0.04 0.93 0.77 2nx9B1 ILE 354 HD13 0.00 -0.04 -0.08 -0.04 0.88 0.72 2nx9B1 ASN 355 H -0.10 0.56 -0.06 -0.55 8.53 8.39 2nx9B1 ASN 355 HA -0.12 0.03 0.36 -0.75 4.76 4.27 2nx9B1 ASN 355 HB2 -0.16 0.18 0.18 -0.04 2.88 3.03 2nx9B1 ASN 355 HB3 -0.20 -0.06 -0.02 -0.04 2.79 2.47 2nx9B1 ASN 355 HD21 -1.02 -0.04 -0.01 -0.04 7.03 5.92 2nx9B1 ASN 355 HD22 -0.40 0.02 -0.01 -0.04 7.74 7.31 2nx9B1 VAL 356 H -0.06 0.38 -0.40 -0.55 8.24 7.61 2nx9B1 VAL 356 HA -0.04 0.04 0.47 -0.75 4.13 3.85 2nx9B1 VAL 356 HB -0.03 0.11 0.12 -0.04 2.12 2.28 2nx9B1 VAL 356 HG13 -0.02 -0.01 -0.12 -0.04 0.97 0.78 2nx9B1 VAL 356 HG23 -0.04 0.01 -0.15 -0.04 0.95 0.72 2nx9B1 VAL 357 H -0.03 0.57 0.07 -0.55 8.24 8.30 2nx9B1 VAL 357 HA -0.02 -0.00 0.39 -0.75 4.13 3.75 2nx9B1 VAL 357 HB -0.02 0.02 0.15 -0.04 2.12 2.23 2nx9B1 VAL 357 HG13 -0.01 0.00 -0.09 -0.04 0.97 0.83 2nx9B1 VAL 357 HG23 -0.01 0.00 0.01 -0.04 0.95 0.91 2nx9B1 LEU 358 H -0.03 0.59 -0.11 -0.55 8.37 8.27 2nx9B1 LEU 358 HA -0.01 0.08 0.50 -0.75 4.35 4.16 2nx9B1 LEU 358 HB2 -0.03 0.07 0.08 -0.04 1.64 1.72 2nx9B1 LEU 358 HB3 -0.01 -0.05 0.05 -0.04 1.64 1.58 2nx9B1 LEU 358 HG -0.02 0.10 0.04 -0.04 1.64 1.72 2nx9B1 LEU 358 HD13 -0.01 -0.03 -0.04 -0.04 0.93 0.80 2nx9B1 LEU 358 HD23 -0.01 0.00 -0.04 -0.04 0.89 0.81 2nx9B1 GLY 359 H -0.03 0.27 -0.41 -0.55 8.43 7.71 2nx9B1 GLY 359 HA2 -0.02 0.04 0.31 -0.51 4.01 3.83 2nx9B1 GLY 359 HA3 -0.01 0.10 0.64 -0.51 4.01 4.23 2nx9B1 GLU 360 H -0.03 0.10 -0.30 -0.55 8.60 7.82 2nx9B1 GLU 360 HA -0.02 0.12 0.74 -0.75 4.29 4.38 2nx9B1 GLU 360 HB2 -0.00 0.08 -0.12 -0.04 2.09 2.01 2nx9B1 GLU 360 HB3 -0.01 -0.06 -0.03 -0.04 1.99 1.85 2nx9B1 GLU 360 HG2 0.01 -0.02 -0.36 -0.04 2.34 1.93 2nx9B1 GLU 360 HG3 0.01 -0.01 -0.03 -0.04 2.34 2.26 2nx9B1 ARG 361 H -0.03 0.18 0.06 -0.55 8.46 8.11 2nx9B1 ARG 361 HA -0.22 0.00 0.49 -0.75 4.34 3.86 2nx9B1 ARG 361 HB2 0.01 0.02 0.10 -0.04 1.90 1.99 2nx9B1 ARG 361 HB3 -0.23 -0.00 0.01 -0.04 1.80 1.54 2nx9B1 ARG 361 HG2 -0.10 0.03 -0.05 -0.04 1.67 1.51 2nx9B1 ARG 361 HG3 -0.04 0.02 0.04 -0.04 1.67 1.65 2nx9B1 ARG 361 HD2 -0.02 0.02 -0.02 -0.04 3.22 3.16 2nx9B1 ARG 361 HD3 0.01 0.00 -0.01 -0.04 3.22 3.18 2nx9B1 TYR 362 H -0.36 0.13 0.22 -0.55 8.29 7.73 2nx9B1 TYR 362 HA -0.01 0.08 0.20 -0.75 4.56 4.07 2nx9B1 TYR 362 HB2 -0.01 0.18 0.02 -0.04 3.06 3.21 2nx9B1 TYR 362 HB3 -0.01 -0.02 0.05 -0.04 2.98 2.96 2nx9B1 TYR 362 HD2 -0.02 0.05 -0.14 -0.04 7.15 7.00 2nx9B1 TYR 362 HE2 -0.03 -0.01 -0.05 -0.04 6.85 6.72 2nx9B1 LYS 363 H 0.00 0.33 -0.35 -0.55 8.42 7.84 2nx9B1 LYS 363 HA 0.03 0.09 0.45 -0.75 4.32 4.13 2nx9B1 LYS 363 HB2 -0.00 0.16 0.03 -0.04 1.87 2.01 2nx9B1 LYS 363 HB3 0.00 -0.03 -0.05 -0.04 1.79 1.67 2nx9B1 LYS 363 HG2 0.01 0.00 -0.02 -0.04 1.46 1.41 2nx9B1 LYS 363 HG3 0.00 0.03 -0.04 -0.04 1.46 1.41 2nx9B1 LYS 363 HD2 0.00 -0.01 -0.08 -0.04 1.69 1.56 2nx9B1 LYS 363 HD3 0.01 0.01 -0.03 -0.04 1.68 1.62 2nx9B1 LYS 363 HE2 0.01 0.00 -0.01 -0.04 2.99 2.94 2nx9B1 LYS 363 HE3 0.00 0.01 -0.02 -0.04 2.99 2.94 2nx9B1 THR 364 H 0.02 0.09 -0.10 -0.55 8.28 7.74 2nx9B1 THR 364 HA 0.03 0.22 0.76 -0.75 4.39 4.64 2nx9B1 THR 364 HB 0.01 -0.06 0.01 -0.04 4.32 4.24 2nx9B1 THR 364 HG23 0.02 0.00 -0.16 -0.04 1.22 1.04 2nx9B1 ILE 365 H 0.04 0.28 0.03 -0.55 8.25 8.06 2nx9B1 ILE 365 HA 0.11 0.09 0.89 -0.75 4.18 4.51 2nx9B1 ILE 365 HB 0.03 0.04 0.04 -0.04 1.89 1.96 2nx9B1 ILE 365 HG12 0.11 -0.02 -0.09 -0.04 1.49 1.45 2nx9B1 ILE 365 HG13 0.08 0.01 -0.22 -0.04 1.21 1.04 2nx9B1 ILE 365 HG23 0.03 0.01 -0.09 -0.04 0.93 0.85 2nx9B1 ILE 365 HD13 -0.01 0.03 -0.07 -0.04 0.88 0.79 2nx9B1 THR 366 H 0.05 0.10 0.13 -0.55 8.28 8.02 2nx9B1 THR 366 HA 0.03 0.23 0.51 -0.75 4.39 4.40 2nx9B1 THR 366 HB 0.03 -0.13 0.14 -0.04 4.32 4.32 2nx9B1 THR 366 HG23 0.02 0.06 -0.02 -0.04 1.22 1.24 2nx9B1 LYS 367 H 0.03 0.23 0.19 -0.55 8.42 8.31 2nx9B1 LYS 367 HA 0.03 0.17 0.45 -0.75 4.32 4.21 2nx9B1 LYS 367 HB2 0.02 0.07 0.17 -0.04 1.87 2.09 2nx9B1 LYS 367 HB3 0.04 -0.03 0.09 -0.04 1.79 1.85 2nx9B1 LYS 367 HG2 0.03 -0.02 0.06 -0.04 1.46 1.48 2nx9B1 LYS 367 HG3 0.02 0.07 0.06 -0.04 1.46 1.57 2nx9B1 LYS 367 HD2 0.02 0.03 0.01 -0.04 1.69 1.71 2nx9B1 LYS 367 HD3 0.03 -0.04 -0.06 -0.04 1.68 1.58 2nx9B1 LYS 367 HE2 0.00 -0.02 -0.01 -0.04 2.99 2.91 2nx9B1 LYS 367 HE3 0.00 0.04 0.00 -0.04 2.99 2.99 2nx9B1 GLU 368 H 0.05 0.05 -0.21 -0.55 8.60 7.94 2nx9B1 GLU 368 HA 0.19 0.16 0.53 -0.75 4.29 4.43 2nx9B1 GLU 368 HB2 0.04 -0.02 0.06 -0.04 2.09 2.13 2nx9B1 GLU 368 HB3 0.04 0.03 -0.01 -0.04 1.99 2.01 2nx9B1 GLU 368 HG2 0.10 0.04 -0.02 -0.04 2.34 2.43 2nx9B1 GLU 368 HG3 0.15 0.06 -0.04 -0.04 2.34 2.47 2nx9B1 THR 369 H 0.03 0.03 -0.16 -0.55 8.28 7.62 2nx9B1 THR 369 HA -0.03 0.11 0.55 -0.75 4.39 4.26 2nx9B1 THR 369 HB 0.04 0.05 0.10 -0.04 4.32 4.47 2nx9B1 THR 369 HG23 0.04 0.03 -0.02 -0.04 1.22 1.23 2nx9B1 SER 370 H 0.03 0.62 -0.16 -0.55 8.46 8.40 2nx9B1 SER 370 HA -0.00 0.07 0.43 -0.75 4.49 4.23 2nx9B1 SER 370 HB2 0.03 0.06 0.11 -0.04 3.95 4.11 2nx9B1 SER 370 HB3 0.01 0.03 -0.05 -0.04 3.93 3.89 2nx9B1 GLY 371 H 0.10 0.35 -0.26 -0.55 8.43 8.08 2nx9B1 GLY 371 HA2 0.09 0.04 0.39 -0.51 4.01 4.03 2nx9B1 GLY 371 HA3 0.33 0.09 0.28 -0.51 4.01 4.20 2nx9B1 VAL 372 H 0.02 0.36 -0.33 -0.55 8.24 7.74 2nx9B1 VAL 372 HA -0.01 -0.04 0.56 -0.75 4.13 3.89 2nx9B1 VAL 372 HB -0.11 0.10 0.19 -0.04 2.12 2.26 2nx9B1 VAL 372 HG13 -0.10 0.00 -0.02 -0.04 0.97 0.81 2nx9B1 VAL 372 HG23 -0.50 0.03 0.04 -0.04 0.95 0.48 2nx9B1 LEU 373 H -0.02 0.49 -0.07 -0.55 8.37 8.23 2nx9B1 LEU 373 HA -0.04 0.04 0.55 -0.75 4.35 4.15 2nx9B1 LEU 373 HB2 -0.03 0.09 0.20 -0.04 1.64 1.86 2nx9B1 LEU 373 HB3 -0.05 -0.09 0.10 -0.04 1.64 1.56 2nx9B1 LEU 373 HG -0.06 0.06 0.09 -0.04 1.64 1.69 2nx9B1 LEU 373 HD13 -0.09 -0.01 -0.17 -0.04 0.93 0.62 2nx9B1 LEU 373 HD23 -0.11 -0.03 0.01 -0.04 0.89 0.72 2nx9B1 LYS 374 H 0.01 0.48 -0.14 -0.55 8.42 8.22 2nx9B1 LYS 374 HA -0.01 0.07 0.48 -0.75 4.32 4.10 2nx9B1 LYS 374 HB2 0.01 0.02 0.12 -0.04 1.87 1.97 2nx9B1 LYS 374 HB3 -0.01 -0.06 0.06 -0.04 1.79 1.73 2nx9B1 LYS 374 HG2 -0.01 -0.03 -0.03 -0.04 1.46 1.34 2nx9B1 LYS 374 HG3 -0.01 0.01 -0.06 -0.04 1.46 1.36 2nx9B1 LYS 374 HD2 -0.00 -0.05 -0.18 -0.04 1.69 1.42 2nx9B1 LYS 374 HD3 -0.01 -0.05 -0.05 -0.04 1.68 1.53 2nx9B1 LYS 374 HE2 -0.01 -0.00 -0.02 -0.04 2.99 2.91 2nx9B1 LYS 374 HE3 -0.01 -0.00 -0.30 -0.04 2.99 2.63 2nx9B1 GLY 375 H 0.03 0.24 -0.44 -0.55 8.43 7.71 2nx9B1 GLY 375 HA2 0.02 0.14 0.37 -0.51 4.01 4.04 2nx9B1 GLY 375 HA3 -0.00 0.32 0.69 -0.51 4.01 4.51 2nx9B1 GLU 376 H 0.05 0.49 0.09 -0.55 8.60 8.68 2nx9B1 GLU 376 HA -0.11 0.10 0.40 -0.75 4.29 3.93 2nx9B1 GLU 376 HB2 -0.03 -0.01 0.13 -0.04 2.09 2.13 2nx9B1 GLU 376 HB3 -0.19 -0.04 0.08 -0.04 1.99 1.80 2nx9B1 GLU 376 HG2 -0.06 0.03 -0.05 -0.04 2.34 2.22 2nx9B1 GLU 376 HG3 -0.01 -0.02 -0.02 -0.04 2.34 2.25 2nx9B1 TYR 377 H 0.24 0.17 -0.15 -0.55 8.29 8.00 2nx9B1 TYR 377 HA -0.09 0.09 0.73 -0.75 4.56 4.54 2nx9B1 TYR 377 HB2 -0.01 0.09 -0.03 -0.04 3.06 3.07 2nx9B1 TYR 377 HB3 0.02 -0.08 -0.04 -0.04 2.98 2.84 2nx9B1 TYR 377 HD2 -0.01 0.03 -0.26 -0.04 7.15 6.87 2nx9B1 TYR 377 HE2 -0.01 -0.05 -0.04 -0.04 6.85 6.70 2nx9B1 GLY 378 H 0.08 0.15 -0.23 -0.55 8.43 7.88 2nx9B1 GLY 378 HA2 0.03 0.14 0.20 -0.51 4.01 3.87 2nx9B1 GLY 378 HA3 0.07 0.01 0.68 -0.51 4.01 4.25 2nx9B1 LYS 379 H 0.03 0.00 0.07 -0.55 8.42 7.97 2nx9B1 LYS 379 HA 0.01 0.13 0.57 -0.75 4.32 4.28 2nx9B1 LYS 379 HB2 0.01 -0.04 0.04 -0.04 1.87 1.84 2nx9B1 LYS 379 HB3 0.01 -0.10 0.06 -0.04 1.79 1.72 2nx9B1 LYS 379 HG2 -0.01 0.31 -0.21 -0.04 1.46 1.51 2nx9B1 LYS 379 HG3 -0.01 -0.01 0.01 -0.04 1.46 1.41 2nx9B1 LYS 379 HD2 -0.01 -0.05 -0.01 -0.04 1.69 1.58 2nx9B1 LYS 379 HD3 -0.01 -0.07 -0.03 -0.04 1.68 1.53 2nx9B1 LYS 379 HE2 -0.02 0.01 -0.03 -0.04 2.99 2.92 2nx9B1 LYS 379 HE3 -0.02 -0.05 -0.01 -0.04 2.99 2.87 2nx9B1 THR 380 H -0.00 0.12 0.15 -0.55 8.28 8.00 2nx9B1 THR 380 HA 0.02 0.08 0.65 -0.75 4.39 4.38 2nx9B1 THR 380 HB 0.00 0.14 0.15 -0.04 4.32 4.56 2nx9B1 THR 380 HG23 -0.02 -0.01 0.03 -0.04 1.22 1.18 2nx9B1 PRO 381 HA -0.09 -0.01 0.41 -0.51 4.44 4.24 2nx9B1 PRO 381 HB2 -0.07 0.04 0.01 -0.04 2.28 2.22 2nx9B1 PRO 381 HB3 -0.39 -0.09 0.03 -0.04 2.02 1.53 2nx9B1 PRO 381 HG2 0.25 0.24 0.06 -0.04 2.03 2.54 2nx9B1 PRO 381 HG3 0.12 0.01 0.10 -0.04 2.03 2.21 2nx9B1 PRO 381 HD2 0.07 0.25 -0.02 -0.04 3.68 3.94 2nx9B1 PRO 381 HD3 0.06 0.04 0.21 -0.04 3.65 3.92 2nx9B1 ALA 382 H 0.03 0.53 -0.10 -0.55 8.40 8.32 2nx9B1 ALA 382 HA -0.02 0.18 0.72 -0.75 4.34 4.46 2nx9B1 ALA 382 HB3 0.10 -0.03 -0.05 -0.04 1.41 1.39 2nx9B1 PRO 383 HA -0.03 -0.04 0.50 -0.51 4.44 4.36 2nx9B1 PRO 383 HB2 -0.02 0.03 0.07 -0.04 2.28 2.31 2nx9B1 PRO 383 HB3 -0.02 0.00 0.09 -0.04 2.02 2.05 2nx9B1 PRO 383 HG2 -0.01 0.01 0.09 -0.04 2.03 2.07 2nx9B1 PRO 383 HG3 -0.02 0.03 0.09 -0.04 2.03 2.09 2nx9B1 PRO 383 HD2 -0.01 0.07 0.22 -0.04 3.68 3.92 2nx9B1 PRO 383 HD3 -0.02 0.17 0.09 -0.04 3.65 3.84 2nx9B1 VAL 384 H -0.04 0.04 0.15 -0.55 8.24 7.84 2nx9B1 VAL 384 HA -0.09 0.07 0.34 -0.75 4.13 3.70 2nx9B1 VAL 384 HB -0.08 0.03 0.23 -0.04 2.12 2.26 2nx9B1 VAL 384 HG13 -0.06 -0.02 -0.13 -0.04 0.97 0.72 2nx9B1 VAL 384 HG23 -0.05 -0.01 0.03 -0.04 0.95 0.88 2nx9B1 ASN 385 H -0.11 0.60 0.28 -0.55 8.53 8.76 2nx9B1 ASN 385 HA -0.07 0.12 0.61 -0.75 4.76 4.67 2nx9B1 ASN 385 HB2 -0.11 0.02 0.24 -0.04 2.88 2.99 2nx9B1 ASN 385 HB3 -0.15 -0.05 0.22 -0.04 2.79 2.77 2nx9B1 ASN 385 HD21 -0.04 0.02 -0.04 -0.04 7.03 6.92 2nx9B1 ASN 385 HD22 -0.06 0.02 0.02 -0.04 7.74 7.68 2nx9B1 THR 386 H -0.05 0.33 0.25 -0.55 8.28 8.26 2nx9B1 THR 386 HA -0.06 -0.14 0.85 -0.75 4.39 4.29 2nx9B1 THR 386 HB -0.04 0.07 0.07 -0.04 4.32 4.38 2nx9B1 THR 386 HG23 -0.03 0.03 0.08 -0.04 1.22 1.26 2nx9B1 GLU 387 H -0.04 0.21 -0.02 -0.55 8.60 8.20 2nx9B1 GLU 387 HA -0.05 -0.04 0.44 -0.75 4.29 3.88 2nx9B1 GLU 387 HB2 -0.04 -0.03 0.09 -0.04 2.09 2.07 2nx9B1 GLU 387 HB3 -0.03 0.06 0.07 -0.04 1.99 2.05 2nx9B1 GLU 387 HG2 -0.03 0.03 0.10 -0.04 2.34 2.40 2nx9B1 GLU 387 HG3 -0.03 0.05 0.09 -0.04 2.34 2.41 2nx9B1 LEU 388 H -0.10 0.24 -0.24 -0.55 8.37 7.72 2nx9B1 LEU 388 HA -0.13 0.21 0.79 -0.75 4.35 4.46 2nx9B1 LEU 388 HB2 -0.20 0.03 0.09 -0.04 1.64 1.53 2nx9B1 LEU 388 HB3 -0.26 0.03 -0.03 -0.04 1.64 1.34 2nx9B1 LEU 388 HG -0.24 -0.01 -0.06 -0.04 1.64 1.30 2nx9B1 LEU 388 HD13 -0.57 0.00 -0.02 -0.04 0.93 0.30 2nx9B1 LEU 388 HD23 -0.50 0.01 0.00 -0.04 0.89 0.36 2nx9B1 GLN 389 H -0.09 0.51 0.27 -0.55 8.47 8.62 2nx9B1 GLN 389 HA -0.06 0.09 0.49 -0.75 4.36 4.12 2nx9B1 GLN 389 HB2 -0.06 0.14 0.16 -0.04 2.15 2.35 2nx9B1 GLN 389 HB3 -0.05 -0.11 0.14 -0.04 2.02 1.96 2nx9B1 GLN 389 HG2 -0.03 -0.10 -0.13 -0.04 2.40 2.09 2nx9B1 GLN 389 HG3 -0.04 0.33 0.12 -0.04 2.39 2.76 2nx9B1 GLN 389 HE21 -0.03 -0.06 0.01 -0.04 6.97 6.85 2nx9B1 GLN 389 HE22 -0.03 0.41 0.12 -0.04 7.69 8.15 2nx9B1 ALA 390 H -0.05 0.01 -0.20 -0.55 8.40 7.61 2nx9B1 ALA 390 HA -0.03 0.11 0.43 -0.75 4.34 4.10 2nx9B1 ALA 390 HB3 -0.03 0.02 0.05 -0.04 1.41 1.41 2nx9B1 ARG 391 H -0.05 0.14 -0.71 -0.55 8.46 7.29 2nx9B1 ARG 391 HA -0.03 0.08 0.44 -0.75 4.34 4.07 2nx9B1 ARG 391 HB2 -0.05 0.08 0.10 -0.04 1.90 2.00 2nx9B1 ARG 391 HB3 -0.05 0.09 -0.02 -0.04 1.80 1.77 2nx9B1 ARG 391 HG2 -0.02 -0.01 0.10 -0.04 1.67 1.71 2nx9B1 ARG 391 HG3 -0.02 -0.02 0.04 -0.04 1.67 1.63 2nx9B1 ARG 391 HD2 -0.02 -0.01 -0.07 -0.04 3.22 3.08 2nx9B1 ARG 391 HD3 -0.01 -0.01 0.00 -0.04 3.22 3.17 2nx9B1 VAL 392 H -0.04 0.23 -0.49 -0.55 8.24 7.39 2nx9B1 VAL 392 HA -0.02 0.17 0.52 -0.75 4.13 4.05 2nx9B1 VAL 392 HB -0.03 0.11 0.08 -0.04 2.12 2.24 2nx9B1 VAL 392 HG13 -0.01 -0.03 -0.05 -0.04 0.97 0.84 2nx9B1 VAL 392 HG23 -0.04 0.03 -0.08 -0.04 0.95 0.82 2nx9B1 LEU 393 H -0.02 0.14 -0.08 -0.55 8.37 7.86 2nx9B1 LEU 393 HA -0.02 0.11 0.29 -0.75 4.35 3.98 2nx9B1 LEU 393 HB2 -0.02 0.06 0.15 -0.04 1.64 1.78 2nx9B1 LEU 393 HB3 -0.02 -0.28 -0.04 -0.04 1.64 1.26 2nx9B1 LEU 393 HG -0.02 0.01 -0.09 -0.04 1.64 1.50 2nx9B1 LEU 393 HD13 -0.02 0.03 -0.26 -0.04 0.93 0.64 2nx9B1 LEU 393 HD23 -0.02 0.01 -0.17 -0.04 0.89 0.66 2nx9B1 ALA 394 H -0.02 0.10 0.05 -0.55 8.40 7.99 2nx9B1 ALA 394 HA -0.01 0.12 0.19 -0.75 4.34 3.89 2nx9B1 ALA 394 HB3 -0.01 0.06 -0.08 -0.04 1.41 1.34 2nx9B1 GLY 395 H -0.01 0.12 0.10 -0.55 8.43 8.09 2nx9B1 GLY 395 HA2 -0.02 -0.60 0.46 -0.51 4.01 3.34 2nx9B1 GLY 395 HA3 -0.02 0.14 0.32 -0.51 4.01 3.95 2nx9B1 ALA 396 H -0.02 -0.03 -0.11 -0.55 8.40 7.70 2nx9B1 ALA 396 HA -0.01 0.17 0.69 -0.75 4.34 4.44 2nx9B1 ALA 396 HB3 -0.01 0.02 -0.00 -0.04 1.41 1.37 2nx9B1 GLU 397 H -0.01 0.14 0.11 -0.55 8.60 8.28 2nx9B1 GLU 397 HA -0.02 0.13 0.84 -0.75 4.29 4.49 2nx9B1 GLU 397 HB2 -0.01 -0.03 0.05 -0.04 2.09 2.06 2nx9B1 GLU 397 HB3 -0.01 0.04 0.01 -0.04 1.99 1.99 2nx9B1 GLU 397 HG2 -0.02 -0.11 0.12 -0.04 2.34 2.30 2nx9B1 GLU 397 HG3 -0.01 -0.02 0.02 -0.04 2.34 2.29 2nx9B1 ALA 398 H -0.02 0.06 0.10 -0.55 8.40 8.00 2nx9B1 ALA 398 HA -0.02 0.08 0.40 -0.75 4.34 4.04 2nx9B1 ALA 398 HB3 -0.02 0.03 0.02 -0.04 1.41 1.40 2nx9B1 ILE 399 H -0.02 0.57 0.29 -0.55 8.25 8.54 2nx9B1 ILE 399 HA -0.02 -0.02 0.69 -0.75 4.18 4.08 2nx9B1 ILE 399 HB -0.03 0.14 0.10 -0.04 1.89 2.07 2nx9B1 ILE 399 HG12 -0.03 -0.05 0.01 -0.04 1.49 1.38 2nx9B1 ILE 399 HG13 -0.03 0.02 0.05 -0.04 1.21 1.21 2nx9B1 ILE 399 HG23 -0.04 -0.02 -0.11 -0.04 0.93 0.72 2nx9B1 ILE 399 HD13 -0.05 -0.01 -0.07 -0.04 0.88 0.72 2nx9B1 THR 400 H -0.02 0.09 0.15 -0.55 8.28 7.96 2nx9B1 THR 400 HA -0.01 0.24 0.84 -0.75 4.39 4.71 2nx9B1 THR 400 HB -0.01 -0.03 0.13 -0.04 4.32 4.37 2nx9B1 THR 400 HG23 -0.01 0.03 -0.23 -0.04 1.22 0.97 2nx9B1 CYS 401 H -0.02 0.07 -0.03 -0.55 8.50 7.97 2nx9B1 CYS 401 HA -0.01 0.21 0.90 -0.75 4.58 4.93 2nx9B1 CYS 401 HB2 -0.01 -0.03 0.10 -0.04 2.97 2.99 2nx9B1 CYS 401 HB3 -0.01 -0.00 -0.03 -0.04 2.97 2.88 2nx9B1 ARG 402 H -0.00 0.13 0.11 -0.55 8.46 8.14 2nx9B1 ARG 402 HA 0.01 0.13 0.55 -0.75 4.34 4.27 2nx9B1 ARG 402 HB2 0.01 0.00 0.10 -0.04 1.90 1.97 2nx9B1 ARG 402 HB3 0.00 0.03 0.18 -0.04 1.80 1.97 2nx9B1 ARG 402 HG2 0.02 -0.25 -0.29 -0.04 1.67 1.11 2nx9B1 ARG 402 HG3 0.03 0.08 -0.10 -0.04 1.67 1.64 2nx9B1 ARG 402 HD2 0.01 0.04 0.04 -0.04 3.22 3.27 2nx9B1 ARG 402 HD3 0.01 -0.01 -0.02 -0.04 3.22 3.16 2nx9B1 PRO 403 HA -0.09 0.11 0.28 -0.51 4.44 4.24 2nx9B1 PRO 403 HB2 -0.28 -0.08 0.03 -0.04 2.28 1.91 2nx9B1 PRO 403 HB3 -0.36 0.12 0.09 -0.04 2.02 1.83 2nx9B1 PRO 403 HG2 -0.23 0.09 -0.16 -0.04 2.03 1.69 2nx9B1 PRO 403 HG3 -0.15 0.21 -0.07 -0.04 2.03 1.98 2nx9B1 PRO 403 HD2 0.07 -0.02 0.13 -0.04 3.68 3.81 2nx9B1 PRO 403 HD3 -0.00 0.25 0.26 -0.04 3.65 4.11 2nx9B1 ALA 404 H 0.06 0.11 -0.24 -0.55 8.40 7.78 2nx9B1 ALA 404 HA 0.01 0.10 0.43 -0.75 4.34 4.13 2nx9B1 ALA 404 HB3 0.04 -0.01 0.11 -0.04 1.41 1.51 2nx9B1 ASP 405 H -0.01 0.48 -0.42 -0.55 8.40 7.90 2nx9B1 ASP 405 HA -0.00 0.04 0.56 -0.75 4.63 4.48 2nx9B1 ASP 405 HB2 -0.01 0.13 0.04 -0.04 2.71 2.82 2nx9B1 ASP 405 HB3 -0.01 -0.01 0.02 -0.04 2.70 2.66 2nx9B1 LEU 406 H -0.03 0.41 -0.20 -0.55 8.37 8.00 2nx9B1 LEU 406 HA -0.02 0.15 0.56 -0.75 4.35 4.29 2nx9B1 LEU 406 HB2 -0.05 0.10 0.04 -0.04 1.64 1.68 2nx9B1 LEU 406 HB3 -0.04 -0.02 0.10 -0.04 1.64 1.64 2nx9B1 LEU 406 HG -0.04 -0.03 -0.07 -0.04 1.64 1.46 2nx9B1 LEU 406 HD13 -0.05 -0.00 -0.02 -0.04 0.93 0.82 2nx9B1 LEU 406 HD23 -0.02 0.00 -0.13 -0.04 0.89 0.70 2nx9B1 ILE 407 H -0.02 0.14 -0.30 -0.55 8.25 7.52 2nx9B1 ILE 407 HA -0.03 0.13 0.75 -0.75 4.18 4.27 2nx9B1 ILE 407 HB -0.02 -0.07 -0.02 -0.04 1.89 1.74 2nx9B1 ILE 407 HG12 -0.07 0.05 -0.13 -0.04 1.49 1.30 2nx9B1 ILE 407 HG13 -0.05 0.04 -0.08 -0.04 1.21 1.08 2nx9B1 ILE 407 HG23 -0.04 0.04 -0.10 -0.04 0.93 0.79 2nx9B1 ILE 407 HD13 -0.04 0.01 -0.27 -0.04 0.88 0.54 2nx9B1 ALA 408 H -0.01 0.14 0.13 -0.55 8.40 8.11 2nx9B1 ALA 408 HA -0.00 0.12 0.59 -0.75 4.34 4.29 2nx9B1 ALA 408 HB3 -0.00 0.02 0.07 -0.04 1.41 1.46 2nx9B1 ALA 409 H 0.01 0.16 0.16 -0.55 8.40 8.18 2nx9B1 ALA 409 HA 0.02 -0.12 0.41 -0.75 4.34 3.89 2nx9B1 ALA 409 HB3 0.01 0.02 0.12 -0.04 1.41 1.52 2nx9B1 GLU 410 H 0.03 -0.07 0.23 -0.55 8.60 8.25 2nx9B1 GLU 410 HA 0.03 0.29 0.68 -0.75 4.29 4.54 2nx9B1 GLU 410 HB2 0.07 -0.09 0.09 -0.04 2.09 2.12 2nx9B1 GLU 410 HB3 0.06 0.05 0.05 -0.04 1.99 2.12 2nx9B1 GLU 410 HG2 0.02 0.18 -0.10 -0.04 2.34 2.41 2nx9B1 GLU 410 HG3 0.04 -0.11 0.11 -0.04 2.34 2.33 2nx9B1 MET 411 H 0.03 -0.01 0.06 -0.55 8.47 8.00 2nx9B1 MET 411 HA 0.04 0.06 0.15 -0.75 4.52 4.02 2nx9B1 MET 411 HB2 0.02 0.02 0.05 -0.04 2.15 2.20 2nx9B1 MET 411 HB3 0.02 0.07 -0.05 -0.04 2.03 2.03 2nx9B1 MET 411 HG2 0.03 -0.20 -0.21 -0.04 2.63 2.21 2nx9B1 MET 411 HG3 0.02 0.18 -0.17 -0.04 2.56 2.56 2nx9B1 MET 411 HE3 0.01 0.02 -0.05 -0.04 2.10 2.04 2nx9B1 PRO 412 HA 0.02 0.10 0.58 -0.51 4.44 4.63 2nx9B1 PRO 412 HB2 0.02 0.07 -0.01 -0.04 2.28 2.32 2nx9B1 PRO 412 HB3 0.01 0.09 0.06 -0.04 2.02 2.14 2nx9B1 PRO 412 HG2 0.01 0.10 -0.01 -0.04 2.03 2.09 2nx9B1 PRO 412 HG3 0.01 0.07 0.02 -0.04 2.03 2.09 2nx9B1 PRO 412 HD2 0.02 0.14 -0.27 -0.04 3.68 3.53 2nx9B1 PRO 412 HD3 0.02 -0.00 0.03 -0.04 3.65 3.66 2nx9B1 THR 413 H 0.03 0.22 -0.22 -0.55 8.28 7.76 2nx9B1 THR 413 HA 0.03 0.10 0.44 -0.75 4.39 4.21 2nx9B1 THR 413 HB 0.03 0.02 0.10 -0.04 4.32 4.43 2nx9B1 THR 413 HG23 0.02 0.01 -0.00 -0.04 1.22 1.21 2nx9B1 LEU 414 H 0.05 0.32 -0.19 -0.55 8.37 7.99 2nx9B1 LEU 414 HA 0.08 0.13 0.75 -0.75 4.35 4.56 2nx9B1 LEU 414 HB2 0.06 0.02 0.03 -0.04 1.64 1.71 2nx9B1 LEU 414 HB3 0.06 -0.00 -0.06 -0.04 1.64 1.60 2nx9B1 LEU 414 HG 0.10 0.02 0.01 -0.04 1.64 1.73 2nx9B1 LEU 414 HD13 0.07 0.04 -0.07 -0.04 0.93 0.93 2nx9B1 LEU 414 HD23 0.09 -0.02 -0.04 -0.04 0.89 0.88 2nx9B1 GLN 415 H 0.04 0.58 -0.01 -0.55 8.47 8.53 2nx9B1 GLN 415 HA 0.03 -0.02 0.38 -0.75 4.36 4.00 2nx9B1 GLN 415 HB2 0.02 0.09 0.17 -0.04 2.15 2.39 2nx9B1 GLN 415 HB3 0.02 0.08 0.15 -0.04 2.02 2.23 2nx9B1 GLN 415 HG2 0.02 0.02 -0.11 -0.04 2.40 2.29 2nx9B1 GLN 415 HG3 0.01 -0.07 0.02 -0.04 2.39 2.30 2nx9B1 GLN 415 HE21 -0.01 0.03 -0.03 -0.04 6.97 6.92 2nx9B1 GLN 415 HE22 -0.02 -0.08 -0.04 -0.04 7.69 7.51 2nx9B1 ASP 416 H 0.04 0.41 -0.18 -0.55 8.40 8.13 2nx9B1 ASP 416 HA 0.04 0.06 0.47 -0.75 4.63 4.45 2nx9B1 ASP 416 HB2 0.04 0.04 0.11 -0.04 2.71 2.86 2nx9B1 ASP 416 HB3 0.03 0.01 -0.03 -0.04 2.70 2.67 2nx9B1 ARG 417 H 0.07 0.30 -0.24 -0.55 8.46 8.05 2nx9B1 ARG 417 HA 0.08 0.02 0.38 -0.75 4.34 4.06 2nx9B1 ARG 417 HB2 0.09 0.18 0.22 -0.04 1.90 2.34 2nx9B1 ARG 417 HB3 0.14 0.03 0.18 -0.04 1.80 2.11 2nx9B1 ARG 417 HG2 0.20 -0.02 -0.13 -0.04 1.67 1.67 2nx9B1 ARG 417 HG3 0.09 -0.02 0.05 -0.04 1.67 1.75 2nx9B1 ARG 417 HD2 0.09 0.05 0.04 -0.04 3.22 3.36 2nx9B1 ARG 417 HD3 0.15 -0.03 -0.01 -0.04 3.22 3.30 2nx9B1 VAL 418 H 0.14 0.64 -0.17 -0.55 8.24 8.31 2nx9B1 VAL 418 HA 0.53 0.03 0.37 -0.75 4.13 4.30 2nx9B1 VAL 418 HB 0.08 0.07 0.10 -0.04 2.12 2.33 2nx9B1 VAL 418 HG13 -0.02 -0.02 -0.18 -0.04 0.97 0.71 2nx9B1 VAL 418 HG23 0.07 0.02 0.03 -0.04 0.95 1.03 2nx9B1 LEU 419 H 0.10 0.54 -0.12 -0.55 8.37 8.33 2nx9B1 LEU 419 HA 0.09 0.00 0.34 -0.75 4.35 4.03 2nx9B1 LEU 419 HB2 0.05 0.11 0.19 -0.04 1.64 1.95 2nx9B1 LEU 419 HB3 0.04 -0.03 0.01 -0.04 1.64 1.62 2nx9B1 LEU 419 HG 0.04 0.05 0.08 -0.04 1.64 1.77 2nx9B1 LEU 419 HD13 0.02 -0.02 -0.06 -0.04 0.93 0.83 2nx9B1 LEU 419 HD23 0.03 -0.02 0.01 -0.04 0.89 0.86 2nx9B1 GLN 420 H 0.08 0.51 -0.22 -0.55 8.47 8.30 2nx9B1 GLN 420 HA 0.02 0.06 0.57 -0.75 4.36 4.26 2nx9B1 GLN 420 HB2 0.03 0.11 0.10 -0.04 2.15 2.35 2nx9B1 GLN 420 HB3 0.02 0.04 0.04 -0.04 2.02 2.08 2nx9B1 GLN 420 HG2 0.00 -0.02 0.05 -0.04 2.40 2.40 2nx9B1 GLN 420 HG3 0.01 -0.02 -0.01 -0.04 2.39 2.33 2nx9B1 GLN 420 HE21 -0.02 0.01 -0.02 -0.04 6.97 6.90 2nx9B1 GLN 420 HE22 -0.01 -0.01 -0.01 -0.04 7.69 7.63 2nx9B1 GLN 421 H 0.08 0.55 0.02 -0.55 8.47 8.58 2nx9B1 GLN 421 HA -0.10 0.04 0.52 -0.75 4.36 4.07 2nx9B1 GLN 421 HB2 -0.07 0.05 0.13 -0.04 2.15 2.22 2nx9B1 GLN 421 HB3 -0.06 0.04 0.07 -0.04 2.02 2.03 2nx9B1 GLN 421 HG2 -0.68 0.02 -0.05 -0.04 2.40 1.65 2nx9B1 GLN 421 HG3 -0.34 -0.01 0.04 -0.04 2.39 2.04 2nx9B1 GLN 421 HE21 -1.66 -0.05 -0.05 -0.04 6.97 5.17 2nx9B1 GLN 421 HE22 -1.33 0.04 -0.06 -0.04 7.69 6.30 2nx9B1 ALA 422 H 0.17 0.47 -0.29 -0.55 8.40 8.21 2nx9B1 ALA 422 HA 0.19 0.05 0.41 -0.75 4.34 4.23 2nx9B1 ALA 422 HB3 0.19 0.06 0.05 -0.04 1.41 1.67 2nx9B1 LYS 423 H 0.02 0.34 -0.17 -0.55 8.42 8.06 2nx9B1 LYS 423 HA -0.04 0.08 0.52 -0.75 4.32 4.12 2nx9B1 LYS 423 HB2 -0.00 0.07 0.16 -0.04 1.87 2.05 2nx9B1 LYS 423 HB3 -0.03 0.05 0.11 -0.04 1.79 1.88 2nx9B1 LYS 423 HG2 -0.08 0.00 -0.04 -0.04 1.46 1.31 2nx9B1 LYS 423 HG3 -0.03 -0.02 0.06 -0.04 1.46 1.44 2nx9B1 LYS 423 HD2 -0.00 -0.01 0.02 -0.04 1.69 1.65 2nx9B1 LYS 423 HD3 -0.02 -0.00 -0.01 -0.04 1.68 1.61 2nx9B1 LYS 423 HE2 -0.02 0.00 -0.01 -0.04 2.99 2.92 2nx9B1 LYS 423 HE3 -0.00 -0.00 0.00 -0.04 2.99 2.94 2nx9B1 GLU 424 H -0.06 0.41 -0.17 -0.55 8.60 8.23 2nx9B1 GLU 424 HA -0.15 0.06 0.52 -0.75 4.29 3.97 2nx9B1 GLU 424 HB2 -0.08 0.08 0.13 -0.04 2.09 2.18 2nx9B1 GLU 424 HB3 -0.08 -0.04 0.07 -0.04 1.99 1.90 2nx9B1 GLU 424 HG2 -0.06 -0.04 0.02 -0.04 2.34 2.22 2nx9B1 GLU 424 HG3 -0.04 0.15 0.08 -0.04 2.34 2.48 2nx9B1 GLN 425 H -0.08 0.22 -0.48 -0.55 8.47 7.58 2nx9B1 GLN 425 HA -0.02 0.16 0.81 -0.75 4.36 4.55 2nx9B1 GLN 425 HB2 -0.05 0.09 0.07 -0.04 2.15 2.21 2nx9B1 GLN 425 HB3 -0.03 -0.03 0.13 -0.04 2.02 2.05 2nx9B1 GLN 425 HG2 -0.09 -0.00 -0.07 -0.04 2.40 2.19 2nx9B1 GLN 425 HG3 -0.14 0.01 -0.11 -0.04 2.39 2.11 2nx9B1 GLN 425 HE21 -0.30 -0.06 -0.03 -0.04 6.97 6.54 2nx9B1 GLN 425 HE22 -0.17 -0.00 -0.03 -0.04 7.69 7.44 2nx9B1 HIS 426 H -0.20 0.19 -0.44 -0.55 8.41 7.42 2nx9B1 HIS 426 HA 0.02 0.01 0.27 -0.75 4.63 4.17 2nx9B1 HIS 426 HB2 0.00 0.13 -0.19 -0.04 3.26 3.16 2nx9B1 HIS 426 HB3 0.01 -0.05 0.19 -0.04 3.20 3.30 2nx9B1 HIS 426 HD2 -0.00 0.02 -0.15 -0.04 6.97 6.79 2nx9B1 HIS 426 HE1 0.00 -0.06 0.01 -0.04 7.75 7.66 2nx9B1 ILE 427 H 0.06 0.67 -0.04 -0.55 8.25 8.39 2nx9B1 ILE 427 HA 0.07 0.19 0.85 -0.75 4.18 4.54 2nx9B1 ILE 427 HB 0.16 -0.08 0.05 -0.04 1.89 1.98 2nx9B1 ILE 427 HG12 0.09 0.09 -0.08 -0.04 1.49 1.55 2nx9B1 ILE 427 HG13 0.09 0.21 -0.35 -0.04 1.21 1.12 2nx9B1 ILE 427 HG23 0.13 0.01 -0.33 -0.04 0.93 0.70 2nx9B1 ILE 427 HD13 0.17 -0.04 -0.10 -0.04 0.88 0.87 2nx9B1 THR 428 H 0.04 0.23 0.10 -0.55 8.28 8.11 2nx9B1 THR 428 HA 0.04 -0.01 0.47 -0.75 4.39 4.14 2nx9B1 THR 428 HB 0.02 0.01 0.10 -0.04 4.32 4.41 2nx9B1 THR 428 HG23 0.02 0.03 -0.05 -0.04 1.22 1.18 2nx9B1 LEU 429 H 0.03 0.09 0.16 -0.55 8.37 8.11 2nx9B1 LEU 429 HA 0.03 0.15 0.73 -0.75 4.35 4.51 2nx9B1 LEU 429 HB2 0.02 0.03 0.06 -0.04 1.64 1.72 2nx9B1 LEU 429 HB3 0.01 -0.19 0.14 -0.04 1.64 1.57 2nx9B1 LEU 429 HG 0.07 0.18 -0.04 -0.04 1.64 1.81 2nx9B1 LEU 429 HD13 0.05 -0.01 -0.03 -0.04 0.93 0.89 2nx9B1 LEU 429 HD23 0.07 0.00 -0.12 -0.04 0.89 0.80 2nx9B1 ALA 430 H 0.01 -0.01 0.06 -0.55 8.40 7.92 2nx9B1 ALA 430 HA 0.01 0.18 0.40 -0.75 4.34 4.18 2nx9B1 ALA 430 HB3 -0.00 -0.01 -0.02 -0.04 1.41 1.34 2nx9B1 GLU 431 H -0.00 0.15 0.09 -0.55 8.60 8.29 2nx9B1 GLU 431 HA -0.01 0.12 0.40 -0.75 4.29 4.05 2nx9B1 GLU 431 HB2 -0.01 -0.00 0.16 -0.04 2.09 2.20 2nx9B1 GLU 431 HB3 -0.02 -0.01 0.00 -0.04 1.99 1.92 2nx9B1 GLU 431 HG2 -0.01 0.01 0.04 -0.04 2.34 2.35 2nx9B1 GLU 431 HG3 -0.00 0.03 0.06 -0.04 2.34 2.38 2nx9B1 ASN 432 H -0.05 0.09 -0.17 -0.55 8.53 7.85 2nx9B1 ASN 432 HA -0.06 0.22 0.84 -0.75 4.76 5.01 2nx9B1 ASN 432 HB2 -0.13 -0.03 0.16 -0.04 2.88 2.84 2nx9B1 ASN 432 HB3 -0.12 -0.06 0.05 -0.04 2.79 2.62 2nx9B1 ASN 432 HD21 -0.04 0.07 -0.03 -0.04 7.03 6.99 2nx9B1 ASN 432 HD22 -0.05 -0.02 0.06 -0.04 7.74 7.68 2nx9B1 ALA 433 H -0.05 0.34 -0.04 -0.55 8.40 8.10 2nx9B1 ALA 433 HA -0.05 -0.04 0.26 -0.75 4.34 3.76 2nx9B1 ALA 433 HB3 -0.01 0.07 0.05 -0.04 1.41 1.48 2nx9B1 ILE 434 H -0.10 0.15 -0.38 -0.55 8.25 7.38 2nx9B1 ILE 434 HA -0.07 0.07 0.43 -0.75 4.18 3.86 2nx9B1 ILE 434 HB -0.07 0.05 0.04 -0.04 1.89 1.86 2nx9B1 ILE 434 HG12 -0.07 0.07 -0.05 -0.04 1.49 1.40 2nx9B1 ILE 434 HG13 -0.08 -0.07 0.01 -0.04 1.21 1.03 2nx9B1 ILE 434 HG23 -0.16 0.02 -0.11 -0.04 0.93 0.64 2nx9B1 ILE 434 HD13 -0.02 0.00 -0.01 -0.04 0.88 0.81 2nx9B1 ASP 435 H -0.29 0.41 -0.25 -0.55 8.40 7.73 2nx9B1 ASP 435 HA -0.89 0.08 0.44 -0.75 4.63 3.50 2nx9B1 ASP 435 HB2 -0.42 0.13 0.12 -0.04 2.71 2.50 2nx9B1 ASP 435 HB3 -1.41 -0.05 -0.01 -0.04 2.70 1.18 2nx9B1 ASP 436 H -0.11 0.24 -0.15 -0.55 8.40 7.83 2nx9B1 ASP 436 HA 0.14 0.06 0.52 -0.75 4.63 4.60 2nx9B1 ASP 436 HB2 -0.02 0.16 0.11 -0.04 2.71 2.92 2nx9B1 ASP 436 HB3 -0.02 0.07 -0.00 -0.04 2.70 2.71 2nx9B1 VAL 437 H -0.05 0.38 -0.19 -0.55 8.24 7.83 2nx9B1 VAL 437 HA -0.05 0.06 0.36 -0.75 4.13 3.76 2nx9B1 VAL 437 HB -0.02 0.12 0.11 -0.04 2.12 2.29 2nx9B1 VAL 437 HG13 0.02 -0.01 -0.21 -0.04 0.97 0.73 2nx9B1 VAL 437 HG23 -0.00 0.07 0.01 -0.04 0.95 0.98 2nx9B1 LEU 438 H 0.02 0.45 -0.35 -0.55 8.37 7.95 2nx9B1 LEU 438 HA 0.11 -0.01 0.53 -0.75 4.35 4.23 2nx9B1 LEU 438 HB2 0.24 0.19 0.19 -0.04 1.64 2.22 2nx9B1 LEU 438 HB3 0.61 -0.07 -0.00 -0.04 1.64 2.13 2nx9B1 LEU 438 HG -0.00 0.20 0.01 -0.04 1.64 1.80 2nx9B1 LEU 438 HD13 -0.08 -0.01 -0.12 -0.04 0.93 0.68 2nx9B1 LEU 438 HD23 0.16 -0.03 -0.03 -0.04 0.89 0.94 2nx9B1 THR 439 H 0.37 0.48 -0.08 -0.55 8.28 8.50 2nx9B1 THR 439 HA 0.57 -0.02 0.34 -0.75 4.39 4.51 2nx9B1 THR 439 HB 0.25 0.13 0.21 -0.04 4.32 4.86 2nx9B1 THR 439 HG23 0.29 -0.01 -0.07 -0.04 1.22 1.39 2nx9B1 ILE 440 H -0.01 0.65 -0.21 -0.55 8.25 8.13 2nx9B1 ILE 440 HA -0.13 0.02 0.48 -0.75 4.18 3.80 2nx9B1 ILE 440 HB -0.32 0.10 0.08 -0.04 1.89 1.71 2nx9B1 ILE 440 HG12 -2.45 0.03 -0.09 -0.04 1.49 -1.06 2nx9B1 ILE 440 HG13 -1.28 -0.01 -0.06 -0.04 1.21 -0.18 2nx9B1 ILE 440 HG23 -0.13 -0.01 -0.17 -0.04 0.93 0.59 2nx9B1 ILE 440 HD13 -0.52 0.00 -0.28 -0.04 0.88 0.04 2nx9B1 ALA 441 H 0.04 0.52 -0.16 -0.55 8.40 8.26 2nx9B1 ALA 441 HA 0.14 0.00 0.43 -0.75 4.34 4.16 2nx9B1 ALA 441 HB3 0.03 0.02 0.14 -0.04 1.41 1.56 2nx9B1 LEU 442 H 0.02 0.59 -0.23 -0.55 8.37 8.21 2nx9B1 LEU 442 HA -0.06 -0.01 0.35 -0.75 4.35 3.88 2nx9B1 LEU 442 HB2 -0.07 0.13 0.04 -0.04 1.64 1.70 2nx9B1 LEU 442 HB3 -0.69 -0.02 -0.11 -0.04 1.64 0.78 2nx9B1 LEU 442 HG -0.34 0.05 -0.01 -0.04 1.64 1.30 2nx9B1 LEU 442 HD13 -0.45 -0.02 -0.09 -0.04 0.93 0.33 2nx9B1 LEU 442 HD23 -0.77 -0.03 -0.05 -0.04 0.89 0.00 2nx9B1 PHE 443 H 0.18 0.28 -0.19 -0.55 8.34 8.07 2nx9B1 PHE 443 HA 0.06 0.21 0.98 -0.75 4.62 5.11 2nx9B1 PHE 443 HB2 0.05 0.17 0.02 -0.04 3.15 3.35 2nx9B1 PHE 443 HB3 0.02 -0.14 0.06 -0.04 3.06 2.96 2nx9B1 PHE 443 HD2 -0.03 0.03 -0.04 -0.04 7.28 7.19 2nx9B1 PHE 443 HE2 -0.38 -0.06 -0.05 -0.04 7.38 6.85 2nx9B1 PHE 443 HZ -0.11 -0.07 0.02 -0.04 7.32 7.12 2nx9B1 ASP 444 H 0.13 0.59 0.07 -0.55 8.40 8.64 2nx9B1 ASP 444 HA 0.14 0.12 0.37 -0.75 4.63 4.51 2nx9B1 ASP 444 HB2 -0.01 0.08 -0.11 -0.04 2.71 2.63 2nx9B1 ASP 444 HB3 0.02 -0.05 0.07 -0.04 2.70 2.70 2nx9B1 GLN 445 H 0.13 0.16 0.22 -0.55 8.47 8.44 2nx9B1 GLN 445 HA 0.36 0.04 0.31 -0.75 4.36 4.31 2nx9B1 GLN 445 HB2 0.12 0.05 0.08 -0.04 2.15 2.35 2nx9B1 GLN 445 HB3 0.11 0.01 0.17 -0.04 2.02 2.26 2nx9B1 GLN 445 HG2 0.04 0.02 0.07 -0.04 2.40 2.49 2nx9B1 GLN 445 HG3 0.07 -0.13 0.15 -0.04 2.39 2.44 2nx9B1 GLN 445 HE21 0.03 0.04 -0.02 -0.04 6.97 6.98 2nx9B1 GLN 445 HE22 0.02 -0.01 0.01 -0.04 7.69 7.67 2nx9B1 VAL 446 H 0.12 0.31 -0.05 -0.55 8.24 8.07 2nx9B1 VAL 446 HA 0.07 0.07 0.33 -0.75 4.13 3.85 2nx9B1 VAL 446 HB 0.14 0.07 0.08 -0.04 2.12 2.38 2nx9B1 VAL 446 HG13 -0.10 0.01 -0.12 -0.04 0.97 0.71 2nx9B1 VAL 446 HG23 0.05 -0.01 0.07 -0.04 0.95 1.02 2nx9B1 GLY 447 H 0.14 0.26 -0.53 -0.55 8.43 7.76 2nx9B1 GLY 447 HA2 0.12 0.01 0.32 -0.51 4.01 3.94 2nx9B1 GLY 447 HA3 0.04 0.05 0.07 -0.51 4.01 3.65 2nx9B1 TRP 448 H 0.15 0.43 -0.13 -0.55 7.97 7.87 2nx9B1 TRP 448 HA 0.09 -0.01 0.37 -0.75 4.62 4.31 2nx9B1 TRP 448 HB2 0.07 0.07 0.12 -0.04 3.23 3.44 2nx9B1 TRP 448 HB3 0.05 0.03 -0.05 -0.04 3.23 3.22 2nx9B1 TRP 448 HD1 0.06 -0.07 -0.26 -0.04 7.22 6.91 2nx9B1 TRP 448 HE1 0.06 -0.03 -0.08 -0.04 10.20 10.11 2nx9B1 TRP 448 HE3 0.05 0.02 -0.04 -0.04 7.59 7.59 2nx9B1 TRP 448 HZ2 0.05 -0.03 -0.09 -0.04 7.44 7.33 2nx9B1 TRP 448 HZ3 0.04 0.05 -0.14 -0.04 7.13 7.03 2nx9B1 TRP 448 HH2 0.04 0.10 0.02 -0.04 7.19 7.31 2nx9B1 LYS 449 H 0.26 0.69 -0.11 -0.55 8.42 8.71 2nx9B1 LYS 449 HA 0.15 0.01 0.38 -0.75 4.32 4.10 2nx9B1 LYS 449 HB2 0.13 0.14 0.16 -0.04 1.87 2.26 2nx9B1 LYS 449 HB3 0.10 0.02 -0.02 -0.04 1.79 1.84 2nx9B1 LYS 449 HG2 0.09 -0.02 0.02 -0.04 1.46 1.51 2nx9B1 LYS 449 HG3 0.12 0.03 -0.02 -0.04 1.46 1.55 2nx9B1 LYS 449 HD2 0.06 -0.06 -0.05 -0.04 1.69 1.59 2nx9B1 LYS 449 HD3 0.05 0.05 -0.01 -0.04 1.68 1.74 2nx9B1 LYS 449 HE2 0.05 0.01 -0.01 -0.04 2.99 3.00 2nx9B1 LYS 449 HE3 0.05 -0.06 -0.04 -0.04 2.99 2.91 2nx9B1 PHE 450 H 0.25 0.40 -0.23 -0.55 8.34 8.22 2nx9B1 PHE 450 HA 0.03 0.09 0.44 -0.75 4.62 4.42 2nx9B1 PHE 450 HB2 -0.03 0.20 0.14 -0.04 3.15 3.42 2nx9B1 PHE 450 HB3 0.00 0.03 0.18 -0.04 3.06 3.23 2nx9B1 PHE 450 HD2 0.01 0.04 -0.05 -0.04 7.28 7.23 2nx9B1 PHE 450 HE2 0.02 -0.07 -0.29 -0.04 7.38 7.00 2nx9B1 PHE 450 HZ 0.01 -0.16 -0.38 -0.04 7.32 6.75 2nx9B1 LEU 451 H 0.15 0.60 0.01 -0.55 8.37 8.58 2nx9B1 LEU 451 HA -0.27 -0.04 0.46 -0.75 4.35 3.75 2nx9B1 LEU 451 HB2 0.17 0.10 0.09 -0.04 1.64 1.96 2nx9B1 LEU 451 HB3 0.09 0.01 -0.07 -0.04 1.64 1.64 2nx9B1 LEU 451 HG 0.07 0.10 -0.03 -0.04 1.64 1.73 2nx9B1 LEU 451 HD13 -0.16 -0.02 -0.10 -0.04 0.93 0.61 2nx9B1 LEU 451 HD23 0.10 -0.03 0.00 -0.04 0.89 0.91 2nx9B1 ALA 452 H 0.11 0.55 -0.26 -0.55 8.40 8.25 2nx9B1 ALA 452 HA 0.06 0.04 0.45 -0.75 4.34 4.14 2nx9B1 ALA 452 HB3 0.09 0.00 0.07 -0.04 1.41 1.53 2nx9B1 ASN 453 H -0.08 0.26 -0.40 -0.55 8.53 7.77 2nx9B1 ASN 453 HA -0.02 0.17 0.88 -0.75 4.76 5.03 2nx9B1 ASN 453 HB2 -0.00 0.03 0.07 -0.04 2.88 2.93 2nx9B1 ASN 453 HB3 0.00 -0.08 0.14 -0.04 2.79 2.81 2nx9B1 ASN 453 HD21 0.05 -0.11 -0.01 -0.04 7.03 6.91 2nx9B1 ASN 453 HD22 0.06 -0.03 -0.03 -0.04 7.74 7.70 2nx9B1 ARG 454 H -0.26 0.22 -0.23 -0.55 8.46 7.63 2nx9B1 ARG 454 HA -0.31 0.04 0.09 -0.75 4.34 3.40 2nx9B1 ARG 454 HB2 -0.86 0.07 0.05 -0.04 1.90 1.11 2nx9B1 ARG 454 HB3 -0.25 0.11 0.09 -0.04 1.80 1.71 2nx9B1 ARG 454 HG2 -0.10 -0.01 0.01 -0.04 1.67 1.54 2nx9B1 ARG 454 HG3 -0.17 -0.01 -0.02 -0.04 1.67 1.43 2nx9B1 ARG 454 HD2 0.08 -0.14 -0.03 -0.04 3.22 3.09 2nx9B1 ARG 454 HD3 -0.30 -0.03 -0.07 -0.04 3.22 2.78