============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 70 rings ring int. center anis. iso. PHE 1 1.000 29.480 112.478 30.663 -99.200 -91.000 TYR 10 0.840 40.878 117.585 17.587 -99.200 -91.000 HIS 14 0.900 41.577 121.650 20.080 -99.200 -91.000 TYR 15 0.840 46.457 123.250 27.665 -99.200 -91.000 TYR 18 0.840 41.415 128.152 21.203 -99.200 -91.000 TYR 26 0.840 29.254 134.367 19.873 -99.200 -91.000 TYR 28 0.840 28.513 129.831 13.414 -99.200 -91.000 PHE 29 1.000 24.497 122.690 15.434 -99.200 -91.000 TYR 34 0.840 16.525 116.532 4.363 -99.200 -91.000 PHE 39 1.000 18.419 124.232 18.714 -99.200 -91.000 TYR 40 0.840 13.886 117.213 20.626 -99.200 -91.000 TYR 44 0.840 19.598 113.597 26.277 -99.200 -91.000 TYR 49 0.840 25.559 113.293 28.388 -99.200 -91.000 TYR 67 0.840 41.812 113.236 28.511 -99.200 -91.000 HIS 70 0.900 43.857 108.726 23.750 -99.200 -91.000 PHE 71 1.000 46.286 113.296 24.444 -99.200 -91.000 PHE 76 1.000 43.217 116.887 32.412 -99.200 -91.000 TRP 81 1.040 39.377 120.375 32.324 -99.200 -91.000 TRP6 81 1.020 37.023 120.468 32.367 -99.200 -91.000 TYR 83 0.840 39.899 129.997 37.505 -99.200 -91.000 TYR 88 0.840 33.650 130.516 37.487 -99.200 -91.000 HIS 91 0.900 27.736 124.349 39.289 -99.200 -91.000 PHE 112 1.000 24.341 124.860 19.543 -99.200 -91.000 TYR 122 0.840 42.087 130.004 26.929 -99.200 -91.000 TRP 123 1.040 40.311 126.135 29.348 -99.200 -91.000 TRP6 123 1.020 39.375 124.070 30.000 -99.200 -91.000 TRP 127 1.040 36.461 119.702 27.286 -99.200 -91.000 TRP6 127 1.020 38.685 118.997 27.630 -99.200 -91.000 TRP 136 1.040 25.062 114.744 14.745 -99.200 -91.000 TRP6 136 1.020 23.902 113.128 13.455 -99.200 -91.000 TYR 137 0.840 20.233 110.502 16.356 -99.200 -91.000 TYR 155 0.840 1.446 112.528 -2.416 -99.200 -91.000 TYR 168 0.840 -1.775 108.961 17.207 -99.200 -91.000 HIS 171 0.900 4.289 102.858 16.055 -99.200 -91.000 PHE 173 1.000 7.150 99.925 13.342 -99.200 -91.000 TYR 175 0.840 14.325 100.604 22.321 -99.200 -91.000 HIS 191 0.900 8.297 109.291 14.618 -99.200 -91.000 PHE 195 1.000 5.036 111.863 11.838 -99.200 -91.000 TYR 210 0.840 17.443 114.295 30.483 -99.200 -91.000 TYR 211 0.840 13.345 118.286 25.442 -99.200 -91.000 TYR 220 0.840 -0.730 108.259 23.763 -99.200 -91.000 HIS 227 0.900 8.396 89.134 10.305 -99.200 -91.000 TRP 233 1.040 0.733 80.705 16.684 -99.200 -91.000 TRP6 233 1.020 -1.228 80.182 17.887 -99.200 -91.000 HIS 237 0.900 -1.485 74.103 13.263 -99.200 -91.000 PHE 242 1.000 -2.189 85.933 9.637 -99.200 -91.000 HIS 244 0.900 -3.983 82.930 20.879 -99.200 -91.000 PHE 249 1.000 -3.267 91.524 21.624 -99.200 -91.000 TYR 261 0.840 5.020 80.930 7.158 -99.200 -91.000 TYR 264 0.840 1.830 89.826 -2.865 -99.200 -91.000 TRP 271 1.040 -4.828 88.706 7.408 -99.200 -91.000 TRP6 271 1.020 -5.293 88.533 9.719 -99.200 -91.000 HIS 277 0.900 -14.936 83.873 11.067 -99.200 -91.000 PHE 312 1.000 -11.840 92.101 4.146 -99.200 -91.000 TYR 321 0.840 -7.015 110.114 -4.583 -99.200 -91.000 TYR 327 0.840 -14.553 95.740 8.279 -99.200 -91.000 TRP 353 1.040 -5.242 101.315 -4.054 -99.200 -91.000 TRP6 353 1.020 -6.976 100.198 -2.919 -99.200 -91.000 PHE 360 1.000 3.090 104.737 4.316 -99.200 -91.000 PHE 379 1.000 30.611 124.671 19.061 -99.200 -91.000 TYR 383 0.840 34.075 138.796 19.416 -99.200 -91.000 PHE 394 1.000 36.915 134.465 7.892 -99.200 -91.000 HIS 413 0.900 18.819 139.984 15.258 -99.200 -91.000 PHE 420 1.000 13.271 132.331 11.555 -99.200 -91.000 TYR 433 0.840 17.868 142.872 9.337 -99.200 -91.000 HIS 435 0.900 13.806 143.428 20.837 -99.200 -91.000 HIS 439 0.900 14.325 133.549 23.877 -99.200 -91.000 PHE 442 1.000 25.223 125.352 30.765 -99.200 -91.000 TYR 451 0.840 11.957 127.153 24.953 -99.200 -91.000 PHE 453 1.000 8.516 115.973 22.854 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2g96A1 PHE 9 HA 0.02 -0.07 0.17 -0.75 4.62 3.99 2g96A1 PHE 9 HB2 0.02 -0.03 0.03 -0.04 3.15 3.13 2g96A1 PHE 9 HB3 -0.02 0.05 -0.02 -0.04 3.06 3.04 2g96A1 PHE 9 HD2 0.09 0.03 -0.09 -0.04 7.28 7.28 2g96A1 PHE 9 HE2 0.15 0.07 -0.05 -0.04 7.38 7.51 2g96A1 PHE 9 HZ 0.18 0.00 -0.12 -0.04 7.32 7.34 2g96A1 ASN 10 H -1.64 0.18 -0.02 -0.55 8.53 6.50 2g96A1 ASN 10 HA -0.37 0.19 0.73 -0.75 4.76 4.56 2g96A1 ASN 10 HB2 -0.23 0.17 -0.12 -0.04 2.88 2.65 2g96A1 ASN 10 HB3 -0.32 0.01 0.01 -0.04 2.79 2.44 2g96A1 ASN 10 HD21 -0.25 0.16 0.09 -0.04 7.03 6.99 2g96A1 ASN 10 HD22 -0.20 0.06 0.04 -0.04 7.74 7.60 2g96A1 ILE 11 H -0.16 0.37 0.13 -0.55 8.25 8.04 2g96A1 ILE 11 HA 0.11 0.08 0.31 -0.75 4.18 3.92 2g96A1 ILE 11 HB 0.12 0.02 0.04 -0.04 1.89 2.02 2g96A1 ILE 11 HG12 0.30 0.10 0.07 -0.04 1.49 1.92 2g96A1 ILE 11 HG13 0.64 -0.04 0.03 -0.04 1.21 1.80 2g96A1 ILE 11 HG23 0.43 -0.02 -0.10 -0.04 0.93 1.20 2g96A1 ILE 11 HD13 0.27 0.03 0.12 -0.04 0.88 1.25 2g96A1 LEU 12 H -0.26 0.08 -0.31 -0.55 8.37 7.33 2g96A1 LEU 12 HA -0.29 0.07 0.33 -0.75 4.35 3.71 2g96A1 LEU 12 HB2 -0.33 0.01 -0.03 -0.04 1.64 1.25 2g96A1 LEU 12 HB3 -0.38 -0.02 -0.04 -0.04 1.64 1.16 2g96A1 LEU 12 HG -0.48 -0.05 -0.32 -0.04 1.64 0.75 2g96A1 LEU 12 HD13 -1.56 -0.00 -0.04 -0.04 0.93 -0.72 2g96A1 LEU 12 HD23 -0.90 0.01 -0.06 -0.04 0.89 -0.10 2g96A1 LEU 13 H -0.10 0.34 -0.42 -0.55 8.37 7.64 2g96A1 LEU 13 HA 0.34 0.14 0.83 -0.75 4.35 4.91 2g96A1 LEU 13 HB2 -0.13 0.02 0.18 -0.04 1.64 1.67 2g96A1 LEU 13 HB3 -0.35 -0.02 -0.01 -0.04 1.64 1.22 2g96A1 LEU 13 HG -0.22 -0.08 -0.04 -0.04 1.64 1.26 2g96A1 LEU 13 HD13 -0.18 0.03 0.03 -0.04 0.93 0.77 2g96A1 LEU 13 HD23 -0.32 -0.01 -0.10 -0.04 0.89 0.41 2g96A1 ALA 14 H 0.20 0.30 -0.28 -0.55 8.40 8.08 2g96A1 ALA 14 HA 0.08 0.17 0.81 -0.75 4.34 4.64 2g96A1 ALA 14 HB3 0.19 0.04 0.02 -0.04 1.41 1.61 2g96A1 THR 15 H -0.02 0.09 -0.06 -0.55 8.28 7.75 2g96A1 THR 15 HA -0.11 0.13 0.91 -0.75 4.39 4.57 2g96A1 THR 15 HB -0.68 0.10 -0.01 -0.04 4.32 3.69 2g96A1 THR 15 HG23 -1.22 0.01 -0.22 -0.04 1.22 -0.25 2g96A1 ASP 16 H -0.10 0.12 0.17 -0.55 8.40 8.05 2g96A1 ASP 16 HA 0.05 0.12 0.51 -0.75 4.63 4.55 2g96A1 ASP 16 HB2 0.35 -0.06 0.19 -0.04 2.71 3.15 2g96A1 ASP 16 HB3 0.22 0.03 0.10 -0.04 2.70 3.01 2g96A1 SER 17 H 0.10 0.21 0.20 -0.55 8.46 8.42 2g96A1 SER 17 HA 0.13 0.08 0.27 -0.75 4.49 4.21 2g96A1 SER 17 HB2 0.01 0.04 0.07 -0.04 3.95 4.03 2g96A1 SER 17 HB3 0.28 0.05 0.15 -0.04 3.93 4.38 2g96A1 TYR 18 H 0.43 0.05 -0.41 -0.55 8.29 7.81 2g96A1 TYR 18 HA 0.08 0.18 0.54 -0.75 4.56 4.61 2g96A1 TYR 18 HB2 0.03 0.05 0.06 -0.04 3.06 3.16 2g96A1 TYR 18 HB3 0.00 0.02 0.04 -0.04 2.98 2.99 2g96A1 TYR 18 HD2 0.05 -0.05 -0.08 -0.04 7.15 7.02 2g96A1 TYR 18 HE2 0.08 -0.01 -0.00 -0.04 6.85 6.88 2g96A1 LYS 19 H -0.30 0.62 -0.03 -0.55 8.42 8.15 2g96A1 LYS 19 HA -2.14 0.06 0.43 -0.75 4.32 1.91 2g96A1 LYS 19 HB2 -0.57 0.11 0.10 -0.04 1.87 1.47 2g96A1 LYS 19 HB3 -0.27 -0.02 0.07 -0.04 1.79 1.53 2g96A1 LYS 19 HG2 -0.15 0.01 0.05 -0.04 1.46 1.32 2g96A1 LYS 19 HG3 -0.41 -0.07 0.12 -0.04 1.46 1.06 2g96A1 LYS 19 HD2 -0.21 -0.17 0.21 -0.04 1.69 1.49 2g96A1 LYS 19 HD3 -0.07 0.21 0.17 -0.04 1.68 1.95 2g96A1 LYS 19 HE2 0.08 -0.06 0.10 -0.04 2.99 3.07 2g96A1 LYS 19 HE3 -0.01 -0.22 0.15 -0.04 2.99 2.87 2g96A1 VAL 20 H -0.30 0.33 -0.53 -0.55 8.24 7.18 2g96A1 VAL 20 HA 0.31 0.01 0.35 -0.75 4.13 4.04 2g96A1 VAL 20 HB -0.35 0.19 0.01 -0.04 2.12 1.92 2g96A1 VAL 20 HG13 -0.21 -0.02 0.03 -0.04 0.97 0.73 2g96A1 VAL 20 HG23 -0.66 -0.00 0.01 -0.04 0.95 0.26 2g96A1 THR 21 H -0.20 0.50 -0.75 -0.55 8.28 7.28 2g96A1 THR 21 HA 0.18 0.20 0.89 -0.75 4.39 4.90 2g96A1 THR 21 HB 0.08 -0.03 0.14 -0.04 4.32 4.47 2g96A1 THR 21 HG23 -0.03 -0.00 -0.09 -0.04 1.22 1.06 2g96A1 HIS 22 H 0.05 0.59 -0.09 -0.55 8.41 8.41 2g96A1 HIS 22 HA 0.01 0.14 0.53 -0.75 4.63 4.55 2g96A1 HIS 22 HB2 0.24 0.11 0.16 -0.04 3.26 3.73 2g96A1 HIS 22 HB3 0.06 -0.03 -0.00 -0.04 3.20 3.19 2g96A1 HIS 22 HD2 -0.09 0.05 -0.19 -0.04 6.97 6.70 2g96A1 HIS 22 HE1 -0.99 -0.03 -0.06 -0.04 7.75 6.62 2g96A1 TYR 23 H 0.58 0.18 -0.08 -0.55 8.29 8.42 2g96A1 TYR 23 HA 0.48 0.03 0.36 -0.75 4.56 4.68 2g96A1 TYR 23 HB2 0.01 0.02 0.06 -0.04 3.06 3.11 2g96A1 TYR 23 HB3 -0.10 -0.02 0.12 -0.04 2.98 2.94 2g96A1 TYR 23 HD2 -0.11 -0.10 -0.12 -0.04 7.15 6.79 2g96A1 TYR 23 HE2 -0.13 0.02 0.07 -0.04 6.85 6.77 2g96A1 LYS 24 H -0.30 0.13 -0.30 -0.55 8.42 7.39 2g96A1 LYS 24 HA -0.31 0.04 0.37 -0.75 4.32 3.67 2g96A1 LYS 24 HB2 -0.18 0.11 0.02 -0.04 1.87 1.78 2g96A1 LYS 24 HB3 -0.21 0.01 0.05 -0.04 1.79 1.60 2g96A1 LYS 24 HG2 -0.66 -0.02 0.03 -0.04 1.46 0.77 2g96A1 LYS 24 HG3 -2.11 -0.10 0.03 -0.04 1.46 -0.77 2g96A1 LYS 24 HD2 -0.15 0.00 0.03 -0.04 1.69 1.53 2g96A1 LYS 24 HD3 -0.07 0.04 0.05 -0.04 1.68 1.65 2g96A1 LYS 24 HE2 -0.05 -0.01 0.01 -0.04 2.99 2.90 2g96A1 LYS 24 HE3 -0.10 0.03 0.00 -0.04 2.99 2.88 2g96A1 GLN 25 H 0.05 0.26 -0.53 -0.55 8.47 7.70 2g96A1 GLN 25 HA -0.04 0.11 0.64 -0.75 4.36 4.32 2g96A1 GLN 25 HB2 -0.11 0.07 0.13 -0.04 2.15 2.20 2g96A1 GLN 25 HB3 -0.11 -0.08 0.03 -0.04 2.02 1.82 2g96A1 GLN 25 HG2 0.00 -0.03 -0.04 -0.04 2.40 2.29 2g96A1 GLN 25 HG3 0.04 0.08 0.02 -0.04 2.39 2.49 2g96A1 GLN 25 HE21 0.22 -0.11 -0.13 -0.04 6.97 6.91 2g96A1 GLN 25 HE22 0.14 0.37 -0.05 -0.04 7.69 8.11 2g96A1 TYR 26 H 0.16 0.26 -0.06 -0.55 8.29 8.10 2g96A1 TYR 26 HA 0.06 0.01 0.44 -0.75 4.56 4.32 2g96A1 TYR 26 HB2 0.31 0.05 0.06 -0.04 3.06 3.43 2g96A1 TYR 26 HB3 0.11 0.03 -0.01 -0.04 2.98 3.07 2g96A1 TYR 26 HD2 0.25 0.02 -0.06 -0.04 7.15 7.31 2g96A1 TYR 26 HE2 0.16 -0.05 -0.09 -0.04 6.85 6.83 2g96A1 PRO 27 HA 0.01 0.12 0.40 -0.51 4.44 4.47 2g96A1 PRO 27 HB2 0.01 -0.04 -0.07 -0.04 2.28 2.14 2g96A1 PRO 27 HB3 0.01 0.04 0.06 -0.04 2.02 2.08 2g96A1 PRO 27 HG2 0.05 -0.02 0.03 -0.04 2.03 2.04 2g96A1 PRO 27 HG3 0.03 0.07 0.08 -0.04 2.03 2.17 2g96A1 PRO 27 HD2 0.21 0.00 0.12 -0.04 3.68 3.97 2g96A1 PRO 27 HD3 0.19 0.10 0.21 -0.04 3.65 4.11 2g96A1 PRO 28 HA -0.07 0.02 0.50 -0.51 4.44 4.38 2g96A1 PRO 28 HB2 -0.04 -0.02 0.06 -0.04 2.28 2.25 2g96A1 PRO 28 HB3 -0.04 -0.01 0.11 -0.04 2.02 2.03 2g96A1 PRO 28 HG2 -0.03 -0.00 0.09 -0.04 2.03 2.05 2g96A1 PRO 28 HG3 -0.03 0.13 0.09 -0.04 2.03 2.18 2g96A1 PRO 28 HD2 -0.02 0.03 0.20 -0.04 3.68 3.85 2g96A1 PRO 28 HD3 -0.01 0.21 0.20 -0.04 3.65 4.01 2g96A1 ASN 29 H -0.13 0.12 0.20 -0.55 8.53 8.18 2g96A1 ASN 29 HA -0.10 0.02 0.31 -0.75 4.76 4.23 2g96A1 ASN 29 HB2 -0.05 0.42 0.38 -0.04 2.88 3.59 2g96A1 ASN 29 HB3 -0.05 -0.22 0.33 -0.04 2.79 2.80 2g96A1 ASN 29 HD21 -0.04 0.02 -0.02 -0.04 7.03 6.94 2g96A1 ASN 29 HD22 -0.06 -0.00 0.04 -0.04 7.74 7.69 2g96A1 THR 30 H -0.25 0.19 0.03 -0.55 8.28 7.71 2g96A1 THR 30 HA -0.10 0.21 0.81 -0.75 4.39 4.56 2g96A1 THR 30 HB -0.32 -0.00 0.13 -0.04 4.32 4.09 2g96A1 THR 30 HG23 -0.08 -0.04 -0.15 -0.04 1.22 0.90 2g96A1 SER 31 H -0.07 0.67 0.39 -0.55 8.46 8.91 2g96A1 SER 31 HA -0.01 0.33 0.88 -0.75 4.49 4.93 2g96A1 SER 31 HB2 0.02 -0.07 0.13 -0.04 3.95 3.99 2g96A1 SER 31 HB3 -0.02 -0.01 0.03 -0.04 3.93 3.89 2g96A1 LYS 32 H -0.03 0.21 0.14 -0.55 8.42 8.18 2g96A1 LYS 32 HA 0.06 0.11 0.53 -0.75 4.32 4.26 2g96A1 LYS 32 HB2 0.05 0.18 -0.20 -0.04 1.87 1.87 2g96A1 LYS 32 HB3 0.01 -0.08 -0.08 -0.04 1.79 1.59 2g96A1 LYS 32 HG2 0.14 -0.08 -0.33 -0.04 1.46 1.15 2g96A1 LYS 32 HG3 0.11 -0.06 0.04 -0.04 1.46 1.50 2g96A1 LYS 32 HD2 0.15 -0.02 -0.13 -0.04 1.69 1.64 2g96A1 LYS 32 HD3 0.21 -0.05 -0.12 -0.04 1.68 1.68 2g96A1 LYS 32 HE2 0.10 -0.04 -0.07 -0.04 2.99 2.94 2g96A1 LYS 32 HE3 0.10 0.25 -0.00 -0.04 2.99 3.29 2g96A1 VAL 33 H 0.06 0.15 0.14 -0.55 8.24 8.04 2g96A1 VAL 33 HA 0.04 0.25 1.01 -0.75 4.13 4.68 2g96A1 VAL 33 HB -0.15 0.04 -0.09 -0.04 2.12 1.88 2g96A1 VAL 33 HG13 -0.05 -0.03 0.21 -0.04 0.97 1.06 2g96A1 VAL 33 HG23 0.04 0.00 -0.09 -0.04 0.95 0.87 2g96A1 TYR 34 H 0.27 0.77 0.31 -0.55 8.29 9.09 2g96A1 TYR 34 HA 0.11 0.13 0.78 -0.75 4.56 4.83 2g96A1 TYR 34 HB2 0.30 -0.02 0.04 -0.04 3.06 3.34 2g96A1 TYR 34 HB3 0.25 -0.14 0.23 -0.04 2.98 3.28 2g96A1 TYR 34 HD2 0.09 0.01 -0.08 -0.04 7.15 7.13 2g96A1 TYR 34 HE2 -0.00 -0.13 -0.01 -0.04 6.85 6.67 2g96A1 SER 35 H -0.20 0.70 0.43 -0.55 8.46 8.84 2g96A1 SER 35 HA -0.10 0.09 1.05 -0.75 4.49 4.77 2g96A1 SER 35 HB2 0.02 0.10 0.03 -0.04 3.95 4.06 2g96A1 SER 35 HB3 -1.02 0.05 -0.16 -0.04 3.93 2.76 2g96A1 TYR 36 H -0.20 0.57 0.35 -0.55 8.29 8.47 2g96A1 TYR 36 HA -0.35 0.22 1.20 -0.75 4.56 4.88 2g96A1 TYR 36 HB2 -0.21 0.02 0.16 -0.04 3.06 2.99 2g96A1 TYR 36 HB3 -0.25 -0.10 -0.03 -0.04 2.98 2.56 2g96A1 TYR 36 HD2 -0.15 0.02 -0.02 -0.04 7.15 6.96 2g96A1 TYR 36 HE2 -0.07 0.07 -0.15 -0.04 6.85 6.66 2g96A1 PHE 37 H -0.27 0.42 0.42 -0.55 8.34 8.36 2g96A1 PHE 37 HA -0.59 0.45 1.11 -0.75 4.62 4.84 2g96A1 PHE 37 HB2 -0.88 -0.01 -0.17 -0.04 3.15 2.05 2g96A1 PHE 37 HB3 -2.02 -0.07 0.07 -0.04 3.06 1.00 2g96A1 PHE 37 HD2 -0.03 -0.08 -0.33 -0.04 7.28 6.80 2g96A1 PHE 37 HE2 0.21 0.02 -0.16 -0.04 7.38 7.41 2g96A1 PHE 37 HZ 0.24 -0.03 -0.12 -0.04 7.32 7.37 2g96A1 GLU 38 H -0.84 0.57 0.44 -0.55 8.60 8.22 2g96A1 GLU 38 HA -0.09 0.18 0.73 -0.75 4.29 4.36 2g96A1 GLU 38 HB2 -0.02 -0.03 -0.18 -0.04 2.09 1.82 2g96A1 GLU 38 HB3 0.10 -0.02 -0.32 -0.04 1.99 1.72 2g96A1 GLU 38 HG2 0.04 -0.05 -0.15 -0.04 2.34 2.14 2g96A1 GLU 38 HG3 -0.23 0.00 -0.01 -0.04 2.34 2.06 2g96A1 CYS 39 H -0.05 0.21 0.05 -0.55 8.50 8.16 2g96A1 CYS 39 HA -0.12 0.34 0.68 -0.75 4.58 4.72 2g96A1 CYS 39 HB2 0.02 -0.09 0.15 -0.04 2.97 3.01 2g96A1 CYS 39 HB3 0.03 0.27 0.18 -0.04 2.97 3.40 2g96A1 ARG 40 H -0.11 0.25 -0.21 -0.55 8.46 7.83 2g96A1 ARG 40 HA -0.02 -0.14 0.30 -0.75 4.34 3.73 2g96A1 ARG 40 HB2 -0.07 0.01 0.09 -0.04 1.90 1.90 2g96A1 ARG 40 HB3 -0.04 0.05 -0.01 -0.04 1.80 1.76 2g96A1 ARG 40 HG2 -0.01 0.01 -0.09 -0.04 1.67 1.55 2g96A1 ARG 40 HG3 -0.00 -0.09 0.01 -0.04 1.67 1.54 2g96A1 ARG 40 HD2 0.01 0.23 -0.24 -0.04 3.22 3.18 2g96A1 ARG 40 HD3 -0.02 -0.11 -0.06 -0.04 3.22 2.99 2g96A1 GLU 41 H -0.00 0.05 0.04 -0.55 8.60 8.15 2g96A1 GLU 41 HA 0.01 0.32 0.72 -0.75 4.29 4.58 2g96A1 GLU 41 HB2 0.01 0.02 0.06 -0.04 2.09 2.13 2g96A1 GLU 41 HB3 0.01 0.02 -0.09 -0.04 1.99 1.88 2g96A1 GLU 41 HG2 -0.00 -0.06 0.06 -0.04 2.34 2.30 2g96A1 GLU 41 HG3 0.00 -0.01 0.02 -0.04 2.34 2.31 2g96A1 TYR 54 HA 0.02 -0.00 0.15 -0.75 4.56 3.97 2g96A1 TYR 54 HB2 0.02 0.03 0.07 -0.04 3.06 3.14 2g96A1 TYR 54 HB3 0.03 0.01 0.05 -0.04 2.98 3.03 2g96A1 TYR 54 HD2 0.03 0.06 -0.03 -0.04 7.15 7.16 2g96A1 TYR 54 HE2 0.03 -0.03 0.01 -0.04 6.85 6.81 2g96A1 GLU 55 H 0.11 0.10 0.13 -0.55 8.60 8.40 2g96A1 GLU 55 HA 0.06 0.12 0.61 -0.75 4.29 4.33 2g96A1 GLU 55 HB2 0.05 -0.01 0.09 -0.04 2.09 2.18 2g96A1 GLU 55 HB3 0.04 -0.03 0.05 -0.04 1.99 2.01 2g96A1 GLU 55 HG2 0.04 0.02 -0.05 -0.04 2.34 2.31 2g96A1 GLU 55 HG3 0.05 0.04 0.05 -0.04 2.34 2.44 2g96A1 GLU 56 H 0.06 0.11 0.03 -0.55 8.60 8.26 2g96A1 GLU 56 HA 0.01 0.20 0.66 -0.75 4.29 4.40 2g96A1 GLU 56 HB2 0.00 0.08 -0.33 -0.04 2.09 1.80 2g96A1 GLU 56 HB3 0.03 -0.03 -0.20 -0.04 1.99 1.75 2g96A1 GLU 56 HG2 0.04 -0.15 0.07 -0.04 2.34 2.26 2g96A1 GLU 56 HG3 0.02 0.05 -0.17 -0.04 2.34 2.20 2g96A1 THR 57 H -0.01 0.76 0.17 -0.55 8.28 8.65 2g96A1 THR 57 HA -0.02 0.17 0.97 -0.75 4.39 4.76 2g96A1 THR 57 HB 0.03 -0.03 -0.04 -0.04 4.32 4.23 2g96A1 THR 57 HG23 0.02 0.01 -0.30 -0.04 1.22 0.91 2g96A1 VAL 58 H -0.02 0.09 0.09 -0.55 8.24 7.86 2g96A1 VAL 58 HA 0.01 0.37 0.65 -0.75 4.13 4.40 2g96A1 VAL 58 HB -0.05 -0.12 -0.03 -0.04 2.12 1.88 2g96A1 VAL 58 HG13 -0.06 0.03 -0.27 -0.04 0.97 0.63 2g96A1 VAL 58 HG23 -0.08 0.04 -0.08 -0.04 0.95 0.79 2g96A1 PHE 59 H 0.15 0.76 0.10 -0.55 8.34 8.81 2g96A1 PHE 59 HA 0.04 0.05 0.67 -0.75 4.62 4.63 2g96A1 PHE 59 HB2 0.01 0.02 0.00 -0.04 3.15 3.14 2g96A1 PHE 59 HB3 -0.01 0.10 0.14 -0.04 3.06 3.24 2g96A1 PHE 59 HD2 0.04 0.06 -0.15 -0.04 7.28 7.19 2g96A1 PHE 59 HE2 0.11 -0.01 -0.14 -0.04 7.38 7.29 2g96A1 PHE 59 HZ -0.02 -0.05 -0.12 -0.04 7.32 7.08 2g96A1 TYR 60 H -0.33 0.30 0.11 -0.55 8.29 7.81 2g96A1 TYR 60 HA -0.36 0.01 0.75 -0.75 4.56 4.20 2g96A1 TYR 60 HB2 -0.18 0.10 -0.24 -0.04 3.06 2.71 2g96A1 TYR 60 HB3 -0.20 0.12 -0.18 -0.04 2.98 2.67 2g96A1 TYR 60 HD2 -0.17 0.04 -0.05 -0.04 7.15 6.93 2g96A1 TYR 60 HE2 -0.70 0.02 -0.14 -0.04 6.85 5.99 2g96A1 GLY 61 H -0.89 0.16 0.12 -0.55 8.43 7.27 2g96A1 GLY 61 HA2 -0.74 0.03 0.35 -0.51 4.01 3.14 2g96A1 GLY 61 HA3 -0.64 0.26 0.68 -0.51 4.01 3.80 2g96A1 LEU 62 H -0.51 0.19 -0.28 -0.55 8.37 7.22 2g96A1 LEU 62 HA -0.24 0.12 0.38 -0.75 4.35 3.86 2g96A1 LEU 62 HB2 -0.24 0.07 -0.02 -0.04 1.64 1.41 2g96A1 LEU 62 HB3 -0.15 0.01 -0.00 -0.04 1.64 1.46 2g96A1 LEU 62 HG -0.11 0.00 -0.36 -0.04 1.64 1.14 2g96A1 LEU 62 HD13 -0.42 -0.01 -0.01 -0.04 0.93 0.44 2g96A1 LEU 62 HD23 -0.17 0.03 -0.12 -0.04 0.89 0.58 2g96A1 GLN 63 H -0.08 0.04 -0.19 -0.55 8.47 7.69 2g96A1 GLN 63 HA -0.04 0.12 0.39 -0.75 4.36 4.08 2g96A1 GLN 63 HB2 0.01 0.04 0.14 -0.04 2.15 2.30 2g96A1 GLN 63 HB3 -0.18 -0.09 0.08 -0.04 2.02 1.79 2g96A1 GLN 63 HG2 -0.36 0.06 -0.26 -0.04 2.40 1.80 2g96A1 GLN 63 HG3 -0.10 0.01 0.08 -0.04 2.39 2.34 2g96A1 GLN 63 HE21 -0.31 0.25 0.26 -0.04 6.97 7.13 2g96A1 GLN 63 HE22 -0.77 0.31 0.03 -0.04 7.69 7.23 2g96A1 TYR 64 H 0.04 0.08 -0.28 -0.55 8.29 7.57 2g96A1 TYR 64 HA -0.17 0.11 0.45 -0.75 4.56 4.19 2g96A1 TYR 64 HB2 -0.04 0.02 0.06 -0.04 3.06 3.06 2g96A1 TYR 64 HB3 -0.18 0.16 0.14 -0.04 2.98 3.05 2g96A1 TYR 64 HD2 -0.69 0.06 -0.05 -0.04 7.15 6.42 2g96A1 TYR 64 HE2 -0.30 -0.00 -0.06 -0.04 6.85 6.44 2g96A1 ILE 65 H -0.05 0.36 -0.19 -0.55 8.25 7.83 2g96A1 ILE 65 HA -0.24 0.03 0.36 -0.75 4.18 3.57 2g96A1 ILE 65 HB -0.16 0.10 0.06 -0.04 1.89 1.85 2g96A1 ILE 65 HG12 0.02 -0.05 -0.04 -0.04 1.49 1.38 2g96A1 ILE 65 HG13 0.07 0.10 0.07 -0.04 1.21 1.41 2g96A1 ILE 65 HG23 -0.18 0.02 -0.12 -0.04 0.93 0.61 2g96A1 ILE 65 HD13 -0.13 0.03 -0.10 -0.04 0.88 0.64 2g96A1 LEU 66 H -0.14 0.47 -0.21 -0.55 8.37 7.95 2g96A1 LEU 66 HA -0.23 -0.02 0.36 -0.75 4.35 3.71 2g96A1 LEU 66 HB2 -0.03 0.16 0.15 -0.04 1.64 1.88 2g96A1 LEU 66 HB3 0.02 -0.05 -0.04 -0.04 1.64 1.53 2g96A1 LEU 66 HG -0.15 0.38 0.02 -0.04 1.64 1.85 2g96A1 LEU 66 HD13 0.04 -0.01 -0.12 -0.04 0.93 0.80 2g96A1 LEU 66 HD23 -0.39 -0.03 -0.11 -0.04 0.89 0.32 2g96A1 ASN 67 H -0.05 0.48 -0.14 -0.55 8.53 8.27 2g96A1 ASN 67 HA 0.02 0.01 0.50 -0.75 4.76 4.53 2g96A1 ASN 67 HB2 0.22 0.03 0.24 -0.04 2.88 3.33 2g96A1 ASN 67 HB3 0.12 0.01 0.01 -0.04 2.79 2.89 2g96A1 ASN 67 HD21 -0.01 -0.08 0.06 -0.04 7.03 6.95 2g96A1 ASN 67 HD22 0.00 0.56 0.15 -0.04 7.74 8.41 2g96A1 LYS 68 H -0.26 0.71 0.13 -0.55 8.42 8.44 2g96A1 LYS 68 HA -0.14 0.04 0.36 -0.75 4.32 3.82 2g96A1 LYS 68 HB2 -0.98 -0.06 0.10 -0.04 1.87 0.89 2g96A1 LYS 68 HB3 -0.91 0.01 0.05 -0.04 1.79 0.90 2g96A1 LYS 68 HG2 -1.93 0.02 -0.21 -0.04 1.46 -0.70 2g96A1 LYS 68 HG3 -0.55 0.01 0.07 -0.04 1.46 0.95 2g96A1 LYS 68 HD2 -0.33 -0.03 -0.02 -0.04 1.69 1.26 2g96A1 LYS 68 HD3 -0.23 -0.04 -0.07 -0.04 1.68 1.31 2g96A1 LYS 68 HE2 -0.35 0.01 -0.04 -0.04 2.99 2.57 2g96A1 LYS 68 HE3 -0.26 0.04 -0.01 -0.04 2.99 2.72 2g96A1 TYR 69 H -0.12 0.39 -0.38 -0.55 8.29 7.63 2g96A1 TYR 69 HA -0.21 0.30 1.24 -0.75 4.56 5.13 2g96A1 TYR 69 HB2 -0.22 0.09 0.02 -0.04 3.06 2.91 2g96A1 TYR 69 HB3 -0.15 -0.09 -0.04 -0.04 2.98 2.66 2g96A1 TYR 69 HD2 -1.31 0.00 -0.06 -0.04 7.15 5.74 2g96A1 TYR 69 HE2 -0.71 -0.05 -0.07 -0.04 6.85 5.97 2g96A1 LEU 70 H -0.04 0.30 0.14 -0.55 8.37 8.22 2g96A1 LEU 70 HA 0.08 0.17 1.01 -0.75 4.35 4.85 2g96A1 LEU 70 HB2 -0.41 0.00 0.07 -0.04 1.64 1.26 2g96A1 LEU 70 HB3 -0.31 -0.10 0.00 -0.04 1.64 1.19 2g96A1 LEU 70 HG -0.10 0.05 -0.18 -0.04 1.64 1.37 2g96A1 LEU 70 HD13 -0.30 -0.03 -0.14 -0.04 0.93 0.43 2g96A1 LEU 70 HD23 0.07 0.02 -0.21 -0.04 0.89 0.73 2g96A1 LYS 71 H 0.05 0.74 0.26 -0.55 8.42 8.92 2g96A1 LYS 71 HA 0.34 -0.08 0.30 -0.75 4.32 4.13 2g96A1 LYS 71 HB2 0.14 -0.17 0.04 -0.04 1.87 1.84 2g96A1 LYS 71 HB3 0.05 0.16 0.24 -0.04 1.79 2.20 2g96A1 LYS 71 HG2 -0.02 0.03 -0.25 -0.04 1.46 1.18 2g96A1 LYS 71 HG3 -0.02 0.00 0.01 -0.04 1.46 1.41 2g96A1 LYS 71 HD2 -0.02 -0.02 0.02 -0.04 1.69 1.62 2g96A1 LYS 71 HD3 0.01 -0.11 0.06 -0.04 1.68 1.59 2g96A1 LYS 71 HE2 0.00 -0.07 0.09 -0.04 2.99 2.96 2g96A1 LYS 71 HE3 -0.03 0.08 -0.00 -0.04 2.99 3.00 2g96A1 GLY 72 H -0.12 0.73 0.42 -0.55 8.43 8.92 2g96A1 GLY 72 HA2 -0.62 0.01 0.41 -0.51 4.01 3.31 2g96A1 GLY 72 HA3 -0.20 -0.04 0.36 -0.51 4.01 3.61 2g96A1 LYS 73 H -0.13 0.09 0.14 -0.55 8.42 7.96 2g96A1 LYS 73 HA 0.11 0.10 0.43 -0.75 4.32 4.20 2g96A1 LYS 73 HB2 0.24 0.00 0.16 -0.04 1.87 2.24 2g96A1 LYS 73 HB3 0.07 -0.07 0.23 -0.04 1.79 1.99 2g96A1 LYS 73 HG2 0.10 -0.07 -0.17 -0.04 1.46 1.29 2g96A1 LYS 73 HG3 0.18 0.38 0.22 -0.04 1.46 2.20 2g96A1 LYS 73 HD2 0.09 -0.02 0.08 -0.04 1.69 1.80 2g96A1 LYS 73 HD3 0.07 -0.09 0.01 -0.04 1.68 1.63 2g96A1 LYS 73 HE2 0.05 -0.13 0.04 -0.04 2.99 2.92 2g96A1 LYS 73 HE3 0.07 0.03 0.07 -0.04 2.99 3.12 2g96A1 VAL 74 H 0.09 0.61 0.26 -0.55 8.24 8.65 2g96A1 VAL 74 HA 0.08 0.19 0.82 -0.75 4.13 4.47 2g96A1 VAL 74 HB 0.17 -0.18 0.13 -0.04 2.12 2.20 2g96A1 VAL 74 HG13 0.08 0.05 -0.26 -0.04 0.97 0.81 2g96A1 VAL 74 HG23 0.20 0.01 -0.03 -0.04 0.95 1.09 2g96A1 VAL 75 H 0.14 0.31 0.17 -0.55 8.24 8.31 2g96A1 VAL 75 HA 0.05 0.06 0.97 -0.75 4.13 4.46 2g96A1 VAL 75 HB 0.22 -0.05 -0.01 -0.04 2.12 2.24 2g96A1 VAL 75 HG13 0.29 -0.01 -0.07 -0.04 0.97 1.14 2g96A1 VAL 75 HG23 0.41 0.17 -0.12 -0.04 0.95 1.37 2g96A1 THR 76 H 0.02 0.13 0.19 -0.55 8.28 8.07 2g96A1 THR 76 HA 0.06 0.28 0.69 -0.75 4.39 4.66 2g96A1 THR 76 HB 0.03 0.01 0.12 -0.04 4.32 4.44 2g96A1 THR 76 HG23 0.04 0.09 -0.35 -0.04 1.22 0.95 2g96A1 LYS 77 H 0.03 0.28 0.14 -0.55 8.42 8.32 2g96A1 LYS 77 HA 0.04 0.08 0.37 -0.75 4.32 4.05 2g96A1 LYS 77 HB2 0.02 -0.01 0.15 -0.04 1.87 1.99 2g96A1 LYS 77 HB3 0.02 0.04 -0.01 -0.04 1.79 1.80 2g96A1 LYS 77 HG2 0.04 0.01 0.06 -0.04 1.46 1.52 2g96A1 LYS 77 HG3 0.03 0.04 0.08 -0.04 1.46 1.57 2g96A1 LYS 77 HD2 0.02 0.02 0.03 -0.04 1.69 1.72 2g96A1 LYS 77 HD3 0.02 -0.00 0.01 -0.04 1.68 1.67 2g96A1 LYS 77 HE2 0.03 -0.01 0.00 -0.04 2.99 2.97 2g96A1 LYS 77 HE3 0.03 0.03 0.01 -0.04 2.99 3.02 2g96A1 GLU 78 H 0.00 0.10 -0.25 -0.55 8.60 7.91 2g96A1 GLU 78 HA -0.02 0.10 0.40 -0.75 4.29 4.02 2g96A1 GLU 78 HB2 -0.02 -0.01 0.06 -0.04 2.09 2.08 2g96A1 GLU 78 HB3 -0.03 0.08 -0.02 -0.04 1.99 1.98 2g96A1 GLU 78 HG2 -0.01 0.10 0.01 -0.04 2.34 2.40 2g96A1 GLU 78 HG3 -0.01 0.04 0.01 -0.04 2.34 2.34 2g96A1 LYS 79 H -0.04 0.10 -0.09 -0.55 8.42 7.83 2g96A1 LYS 79 HA -0.13 0.09 0.40 -0.75 4.32 3.93 2g96A1 LYS 79 HB2 -0.09 -0.12 0.21 -0.04 1.87 1.83 2g96A1 LYS 79 HB3 -0.19 -0.05 0.09 -0.04 1.79 1.60 2g96A1 LYS 79 HG2 -0.05 -0.09 0.08 -0.04 1.46 1.36 2g96A1 LYS 79 HG3 -0.05 0.18 0.06 -0.04 1.46 1.61 2g96A1 LYS 79 HD2 -0.17 -0.20 0.16 -0.04 1.69 1.44 2g96A1 LYS 79 HD3 -0.10 -0.03 0.06 -0.04 1.68 1.56 2g96A1 LYS 79 HE2 -0.07 0.78 0.36 -0.04 2.99 4.03 2g96A1 LYS 79 HE3 -0.02 -0.07 0.06 -0.04 2.99 2.92 2g96A1 ILE 80 H -0.04 0.54 -0.19 -0.55 8.25 8.01 2g96A1 ILE 80 HA -0.07 -0.00 0.37 -0.75 4.18 3.73 2g96A1 ILE 80 HB 0.07 0.15 0.11 -0.04 1.89 2.18 2g96A1 ILE 80 HG12 0.09 -0.05 -0.07 -0.04 1.49 1.43 2g96A1 ILE 80 HG13 0.04 0.27 0.02 -0.04 1.21 1.49 2g96A1 ILE 80 HG23 0.24 -0.01 -0.06 -0.04 0.93 1.05 2g96A1 ILE 80 HD13 0.15 -0.01 -0.18 -0.04 0.88 0.80 2g96A1 GLN 81 H -0.00 0.56 -0.06 -0.55 8.47 8.42 2g96A1 GLN 81 HA 0.03 -0.03 0.39 -0.75 4.36 4.00 2g96A1 GLN 81 HB2 0.01 0.06 0.15 -0.04 2.15 2.33 2g96A1 GLN 81 HB3 -0.02 0.10 0.18 -0.04 2.02 2.25 2g96A1 GLN 81 HG2 -0.00 -0.01 -0.02 -0.04 2.40 2.33 2g96A1 GLN 81 HG3 -0.02 -0.01 -0.15 -0.04 2.39 2.17 2g96A1 GLN 81 HE21 0.03 -0.01 -0.00 -0.04 6.97 6.95 2g96A1 GLN 81 HE22 0.02 0.01 -0.00 -0.04 7.69 7.68 2g96A1 GLU 82 H -0.09 0.70 -0.14 -0.55 8.60 8.53 2g96A1 GLU 82 HA -0.11 0.00 0.39 -0.75 4.29 3.82 2g96A1 GLU 82 HB2 -0.11 0.05 0.08 -0.04 2.09 2.07 2g96A1 GLU 82 HB3 -0.18 0.10 0.17 -0.04 1.99 2.04 2g96A1 GLU 82 HG2 -0.20 -0.04 -0.16 -0.04 2.34 1.90 2g96A1 GLU 82 HG3 -0.12 -0.02 0.01 -0.04 2.34 2.17 2g96A1 ALA 83 H -0.28 0.64 -0.08 -0.55 8.40 8.13 2g96A1 ALA 83 HA -0.64 -0.01 0.35 -0.75 4.34 3.28 2g96A1 ALA 83 HB3 -0.71 0.02 0.07 -0.04 1.41 0.75 2g96A1 LYS 84 H -0.27 0.65 -0.06 -0.55 8.42 8.18 2g96A1 LYS 84 HA 0.19 -0.07 0.30 -0.75 4.32 3.98 2g96A1 LYS 84 HB2 0.34 -0.02 0.09 -0.04 1.87 2.24 2g96A1 LYS 84 HB3 0.07 0.15 0.14 -0.04 1.79 2.12 2g96A1 LYS 84 HG2 0.11 0.02 -0.21 -0.04 1.46 1.35 2g96A1 LYS 84 HG3 0.24 -0.06 0.01 -0.04 1.46 1.61 2g96A1 LYS 84 HD2 0.10 -0.00 -0.02 -0.04 1.69 1.72 2g96A1 LYS 84 HD3 0.15 -0.05 -0.01 -0.04 1.68 1.73 2g96A1 LYS 84 HE2 0.09 0.02 0.01 -0.04 2.99 3.07 2g96A1 LYS 84 HE3 0.06 0.02 -0.02 -0.04 2.99 3.01 2g96A1 GLU 85 H -0.06 0.61 -0.16 -0.55 8.60 8.44 2g96A1 GLU 85 HA 0.01 -0.01 0.43 -0.75 4.29 3.97 2g96A1 GLU 85 HB2 -0.07 0.11 0.16 -0.04 2.09 2.25 2g96A1 GLU 85 HB3 -0.03 -0.06 0.04 -0.04 1.99 1.91 2g96A1 GLU 85 HG2 -0.00 -0.07 0.03 -0.04 2.34 2.26 2g96A1 GLU 85 HG3 -0.02 0.32 0.12 -0.04 2.34 2.72 2g96A1 VAL 86 H -0.20 0.75 0.02 -0.55 8.24 8.26 2g96A1 VAL 86 HA -0.09 0.04 0.55 -0.75 4.13 3.87 2g96A1 VAL 86 HB -0.53 0.03 0.21 -0.04 2.12 1.80 2g96A1 VAL 86 HG13 -0.24 -0.02 -0.06 -0.04 0.97 0.60 2g96A1 VAL 86 HG23 -0.20 0.05 0.04 -0.04 0.95 0.79 2g96A1 TYR 87 H -0.32 0.96 0.18 -0.55 8.29 8.56 2g96A1 TYR 87 HA 0.39 -0.02 0.41 -0.75 4.56 4.58 2g96A1 TYR 87 HB2 -0.03 0.07 0.03 -0.04 3.06 3.09 2g96A1 TYR 87 HB3 0.06 -0.08 0.09 -0.04 2.98 3.00 2g96A1 TYR 87 HD2 -0.17 -0.05 -0.07 -0.04 7.15 6.81 2g96A1 TYR 87 HE2 0.01 0.03 -0.01 -0.04 6.85 6.83 2g96A1 ARG 88 H 0.12 0.44 -0.63 -0.55 8.46 7.83 2g96A1 ARG 88 HA 0.17 -0.07 0.29 -0.75 4.34 3.98 2g96A1 ARG 88 HB2 0.10 0.11 0.11 -0.04 1.90 2.18 2g96A1 ARG 88 HB3 0.07 0.20 0.18 -0.04 1.80 2.21 2g96A1 ARG 88 HG2 0.06 -0.03 -0.04 -0.04 1.67 1.62 2g96A1 ARG 88 HG3 0.07 0.02 -0.21 -0.04 1.67 1.50 2g96A1 ARG 88 HD2 0.10 -0.07 -0.13 -0.04 3.22 3.08 2g96A1 ARG 88 HD3 0.09 -0.05 -0.07 -0.04 3.22 3.15 2g96A1 GLU 89 H 0.09 0.46 -0.07 -0.55 8.60 8.53 2g96A1 GLU 89 HA 0.07 0.04 0.54 -0.75 4.29 4.19 2g96A1 GLU 89 HB2 0.02 0.03 0.18 -0.04 2.09 2.28 2g96A1 GLU 89 HB3 0.02 0.07 0.24 -0.04 1.99 2.28 2g96A1 GLU 89 HG2 0.02 -0.00 -0.09 -0.04 2.34 2.22 2g96A1 GLU 89 HG3 0.02 -0.03 0.07 -0.04 2.34 2.37 2g96A1 HIS 90 H 0.23 0.72 0.08 -0.55 8.41 8.90 2g96A1 HIS 90 HA -0.03 0.03 0.40 -0.75 4.63 4.28 2g96A1 HIS 90 HB2 0.06 0.03 0.04 -0.04 3.26 3.35 2g96A1 HIS 90 HB3 0.28 -0.02 0.09 -0.04 3.20 3.52 2g96A1 HIS 90 HD2 0.23 -0.02 -0.00 -0.04 6.97 7.12 2g96A1 HIS 90 HE1 -0.13 -0.02 0.01 -0.04 7.75 7.57 2g96A1 PHE 91 H 0.45 0.53 -0.14 -0.55 8.34 8.63 2g96A1 PHE 91 HA -0.01 0.16 0.82 -0.75 4.62 4.83 2g96A1 PHE 91 HB2 0.08 0.21 0.23 -0.04 3.15 3.63 2g96A1 PHE 91 HB3 0.03 -0.05 0.16 -0.04 3.06 3.17 2g96A1 PHE 91 HD2 0.08 0.09 0.10 -0.04 7.28 7.52 2g96A1 PHE 91 HE2 0.05 -0.05 -0.01 -0.04 7.38 7.32 2g96A1 PHE 91 HZ -0.13 0.54 0.03 -0.04 7.32 7.72 2g96A1 GLN 92 H 0.18 0.29 -0.32 -0.55 8.47 8.07 2g96A1 GLN 92 HA 0.09 0.07 0.38 -0.75 4.36 4.15 2g96A1 GLN 92 HB2 0.08 0.14 0.11 -0.04 2.15 2.44 2g96A1 GLN 92 HB3 0.06 -0.10 0.18 -0.04 2.02 2.12 2g96A1 GLN 92 HG2 0.06 -0.00 -0.61 -0.04 2.40 1.81 2g96A1 GLN 92 HG3 0.04 -0.06 -0.13 -0.04 2.39 2.20 2g96A1 GLN 92 HE21 0.03 -0.05 0.02 -0.04 6.97 6.93 2g96A1 GLN 92 HE22 0.03 -0.05 -0.00 -0.04 7.69 7.63 2g96A1 ASP 93 H 0.20 0.14 -0.55 -0.55 8.40 7.64 2g96A1 ASP 93 HA 0.08 0.04 0.55 -0.75 4.63 4.55 2g96A1 ASP 93 HB2 0.11 0.18 -0.31 -0.04 2.71 2.65 2g96A1 ASP 93 HB3 0.10 -0.09 -0.08 -0.04 2.70 2.58 2g96A1 ASP 94 H 0.07 0.17 0.05 -0.55 8.40 8.14 2g96A1 ASP 94 HA 0.10 0.05 0.43 -0.75 4.63 4.45 2g96A1 ASP 94 HB2 0.06 0.01 0.18 -0.04 2.71 2.91 2g96A1 ASP 94 HB3 0.05 0.02 0.22 -0.04 2.70 2.96 2g96A1 VAL 95 H -0.06 0.61 0.29 -0.55 8.24 8.52 2g96A1 VAL 95 HA 0.00 0.10 0.47 -0.75 4.13 3.95 2g96A1 VAL 95 HB -0.60 -0.02 -0.03 -0.04 2.12 1.44 2g96A1 VAL 95 HG13 -0.01 0.00 0.03 -0.04 0.97 0.94 2g96A1 VAL 95 HG23 -0.03 0.07 -0.03 -0.04 0.95 0.92 2g96A1 PHE 96 H 0.04 0.02 -0.12 -0.55 8.34 7.73 2g96A1 PHE 96 HA -0.25 0.09 0.38 -0.75 4.62 4.09 2g96A1 PHE 96 HB2 0.06 0.03 0.01 -0.04 3.15 3.22 2g96A1 PHE 96 HB3 0.04 -0.01 0.02 -0.04 3.06 3.06 2g96A1 PHE 96 HD2 0.02 0.01 -0.04 -0.04 7.28 7.23 2g96A1 PHE 96 HE2 -0.13 0.05 -0.05 -0.04 7.38 7.20 2g96A1 PHE 96 HZ -0.28 -0.03 -0.06 -0.04 7.32 6.91 2g96A1 ASN 97 H -0.55 0.22 0.19 -0.55 8.53 7.84 2g96A1 ASN 97 HA -0.57 0.12 0.61 -0.75 4.76 4.17 2g96A1 ASN 97 HB2 -2.01 0.17 0.18 -0.04 2.88 1.17 2g96A1 ASN 97 HB3 -1.05 0.04 0.26 -0.04 2.79 1.99 2g96A1 ASN 97 HD21 -0.35 0.01 0.08 -0.04 7.03 6.73 2g96A1 ASN 97 HD22 -0.28 0.18 0.08 -0.04 7.74 7.67 2g96A1 GLU 98 H -0.61 0.52 0.18 -0.55 8.60 8.15 2g96A1 GLU 98 HA -0.52 0.08 0.42 -0.75 4.29 3.51 2g96A1 GLU 98 HB2 -0.14 0.10 0.05 -0.04 2.09 2.05 2g96A1 GLU 98 HB3 -0.13 0.02 0.08 -0.04 1.99 1.92 2g96A1 GLU 98 HG2 0.04 -0.06 -0.11 -0.04 2.34 2.16 2g96A1 GLU 98 HG3 0.18 0.01 -0.03 -0.04 2.34 2.46 2g96A1 ARG 99 H -0.21 0.16 -0.04 -0.55 8.46 7.82 2g96A1 ARG 99 HA -0.02 0.11 0.44 -0.75 4.34 4.11 2g96A1 ARG 99 HB2 -0.06 0.05 0.10 -0.04 1.90 1.96 2g96A1 ARG 99 HB3 -0.09 -0.02 0.09 -0.04 1.80 1.73 2g96A1 ARG 99 HG2 -0.02 0.00 -0.16 -0.04 1.67 1.44 2g96A1 ARG 99 HG3 -0.01 0.01 0.01 -0.04 1.67 1.64 2g96A1 ARG 99 HD2 -0.03 0.02 -0.02 -0.04 3.22 3.15 2g96A1 ARG 99 HD3 -0.03 0.03 -0.02 -0.04 3.22 3.16 2g96A1 GLY 100 H -0.32 0.09 -0.16 -0.55 8.43 7.49 2g96A1 GLY 100 HA2 -0.04 0.08 0.32 -0.51 4.01 3.86 2g96A1 GLY 100 HA3 -0.72 0.08 0.27 -0.51 4.01 3.12 2g96A1 TRP 101 H -0.14 0.28 -0.49 -0.55 7.97 7.07 2g96A1 TRP 101 HA 0.20 0.07 0.43 -0.75 4.62 4.56 2g96A1 TRP 101 HB2 -0.16 0.10 0.15 -0.04 3.23 3.28 2g96A1 TRP 101 HB3 0.07 -0.05 -0.07 -0.04 3.23 3.13 2g96A1 TRP 101 HD1 -0.59 0.26 0.05 -0.04 7.22 6.89 2g96A1 TRP 101 HE1 -1.46 0.01 -0.02 -0.04 10.20 8.69 2g96A1 TRP 101 HE3 0.07 -0.05 -0.04 -0.04 7.59 7.53 2g96A1 TRP 101 HZ2 -2.04 0.04 -0.11 -0.04 7.44 5.29 2g96A1 TRP 101 HZ3 -0.02 0.07 -0.15 -0.04 7.13 6.98 2g96A1 TRP 101 HH2 -0.22 0.06 -0.17 -0.04 7.19 6.81 2g96A1 ASN 102 H 0.16 0.67 -0.01 -0.55 8.53 8.81 2g96A1 ASN 102 HA 0.18 -0.02 0.37 -0.75 4.76 4.53 2g96A1 ASN 102 HB2 0.10 0.20 0.17 -0.04 2.88 3.31 2g96A1 ASN 102 HB3 0.10 0.03 0.06 -0.04 2.79 2.93 2g96A1 ASN 102 HD21 0.07 -0.01 -0.01 -0.04 7.03 7.03 2g96A1 ASN 102 HD22 0.09 0.02 -0.00 -0.04 7.74 7.80 2g96A1 TYR 103 H 0.22 0.59 -0.28 -0.55 8.29 8.27 2g96A1 TYR 103 HA 0.04 -0.01 0.37 -0.75 4.56 4.20 2g96A1 TYR 103 HB2 0.04 0.02 0.08 -0.04 3.06 3.16 2g96A1 TYR 103 HB3 0.09 0.21 0.10 -0.04 2.98 3.34 2g96A1 TYR 103 HD2 0.07 0.01 0.01 -0.04 7.15 7.20 2g96A1 TYR 103 HE2 0.04 -0.04 -0.00 -0.04 6.85 6.81 2g96A1 ILE 104 H 0.13 0.37 -0.27 -0.55 8.25 7.94 2g96A1 ILE 104 HA -0.06 0.00 0.37 -0.75 4.18 3.74 2g96A1 ILE 104 HB 0.17 0.15 0.07 -0.04 1.89 2.24 2g96A1 ILE 104 HG12 -0.10 -0.07 0.05 -0.04 1.49 1.33 2g96A1 ILE 104 HG13 0.07 0.20 0.14 -0.04 1.21 1.58 2g96A1 ILE 104 HG23 0.06 -0.05 -0.15 -0.04 0.93 0.75 2g96A1 ILE 104 HD13 -0.66 -0.03 -0.04 -0.04 0.88 0.11 2g96A1 LEU 105 H 0.15 0.36 -0.31 -0.55 8.37 8.02 2g96A1 LEU 105 HA 0.12 -0.05 0.31 -0.75 4.35 3.98 2g96A1 LEU 105 HB2 0.17 -0.07 -0.06 -0.04 1.64 1.64 2g96A1 LEU 105 HB3 0.12 0.19 0.12 -0.04 1.64 2.02 2g96A1 LEU 105 HG 0.07 0.04 -0.22 -0.04 1.64 1.48 2g96A1 LEU 105 HD13 0.08 0.03 -0.07 -0.04 0.93 0.94 2g96A1 LEU 105 HD23 0.08 -0.06 -0.23 -0.04 0.89 0.64 2g96A1 GLU 106 H 0.02 0.38 -0.27 -0.55 8.60 8.19 2g96A1 GLU 106 HA 0.00 0.14 0.78 -0.75 4.29 4.46 2g96A1 GLU 106 HB2 0.05 -0.02 0.20 -0.04 2.09 2.28 2g96A1 GLU 106 HB3 0.01 -0.00 0.01 -0.04 1.99 1.97 2g96A1 GLU 106 HG2 0.03 -0.01 -0.03 -0.04 2.34 2.30 2g96A1 GLU 106 HG3 0.06 0.06 -0.05 -0.04 2.34 2.37 2g96A1 LYS 107 H -0.21 0.41 0.19 -0.55 8.42 8.26 2g96A1 LYS 107 HA -0.26 0.04 0.42 -0.75 4.32 3.77 2g96A1 LYS 107 HB2 -0.29 -0.05 0.16 -0.04 1.87 1.64 2g96A1 LYS 107 HB3 -1.05 0.04 0.10 -0.04 1.79 0.84 2g96A1 LYS 107 HG2 -0.53 -0.06 -0.00 -0.04 1.46 0.83 2g96A1 LYS 107 HG3 -1.24 0.04 -0.08 -0.04 1.46 0.13 2g96A1 LYS 107 HD2 -0.20 0.03 0.10 -0.04 1.69 1.58 2g96A1 LYS 107 HD3 -0.03 -0.04 0.04 -0.04 1.68 1.62 2g96A1 LYS 107 HE2 -0.21 0.03 0.04 -0.04 2.99 2.80 2g96A1 LYS 107 HE3 -0.07 -0.00 0.03 -0.04 2.99 2.90 2g96A1 TYR 108 H -0.18 0.36 -0.23 -0.55 8.29 7.70 2g96A1 TYR 108 HA -0.11 0.23 0.94 -0.75 4.56 4.87 2g96A1 TYR 108 HB2 -0.08 0.14 0.14 -0.04 3.06 3.22 2g96A1 TYR 108 HB3 -0.05 -0.03 0.10 -0.04 2.98 2.96 2g96A1 TYR 108 HD2 -0.18 0.04 -0.01 -0.04 7.15 6.95 2g96A1 TYR 108 HE2 -0.13 -0.04 -0.04 -0.04 6.85 6.60 2g96A1 ASP 109 H -0.04 0.36 -0.40 -0.55 8.40 7.77 2g96A1 ASP 109 HA 0.02 0.26 0.39 -0.75 4.63 4.55 2g96A1 ASP 109 HB2 -0.06 0.01 0.03 -0.04 2.71 2.66 2g96A1 ASP 109 HB3 -0.16 0.04 -0.13 -0.04 2.70 2.41 2g96A1 GLY 110 H 0.12 0.30 -0.39 -0.55 8.43 7.92 2g96A1 GLY 110 HA2 0.19 -0.15 0.14 -0.51 4.01 3.68 2g96A1 GLY 110 HA3 0.18 0.17 0.58 -0.51 4.01 4.44 2g96A1 HIS 111 H 0.30 0.86 -0.20 -0.55 8.41 8.83 2g96A1 HIS 111 HA 0.08 0.44 0.78 -0.75 4.63 5.18 2g96A1 HIS 111 HB2 0.04 0.03 -0.02 -0.04 3.26 3.27 2g96A1 HIS 111 HB3 -0.02 -0.08 -0.18 -0.04 3.20 2.88 2g96A1 HIS 111 HD2 -0.04 0.12 -0.03 -0.04 6.97 6.98 2g96A1 HIS 111 HE1 0.02 -0.07 -0.04 -0.04 7.75 7.62 2g96A1 LEU 112 H 0.13 0.26 0.16 -0.55 8.37 8.37 2g96A1 LEU 112 HA -0.06 0.16 0.62 -0.75 4.35 4.32 2g96A1 LEU 112 HB2 0.24 -0.04 0.15 -0.04 1.64 1.94 2g96A1 LEU 112 HB3 -0.01 -0.05 -0.07 -0.04 1.64 1.46 2g96A1 LEU 112 HG 0.15 0.17 0.05 -0.04 1.64 1.96 2g96A1 LEU 112 HD13 0.08 -0.00 -0.03 -0.04 0.93 0.94 2g96A1 LEU 112 HD23 0.08 -0.01 -0.13 -0.04 0.89 0.79 2g96A1 PRO 113 HA -0.38 0.11 0.53 -0.51 4.44 4.19 2g96A1 PRO 113 HB2 -0.40 -0.15 0.22 -0.04 2.28 1.91 2g96A1 PRO 113 HB3 -1.30 0.13 0.09 -0.04 2.02 0.89 2g96A1 PRO 113 HG2 -0.32 -0.05 0.18 -0.04 2.03 1.80 2g96A1 PRO 113 HG3 -0.24 0.02 0.12 -0.04 2.03 1.89 2g96A1 PRO 113 HD2 -0.28 0.04 0.19 -0.04 3.68 3.59 2g96A1 PRO 113 HD3 -0.22 0.38 0.24 -0.04 3.65 4.01 2g96A1 ILE 114 H -0.03 0.60 0.20 -0.55 8.25 8.48 2g96A1 ILE 114 HA -0.02 0.15 1.03 -0.75 4.18 4.59 2g96A1 ILE 114 HB 0.06 0.10 -0.06 -0.04 1.89 1.94 2g96A1 ILE 114 HG12 0.35 -0.00 -0.12 -0.04 1.49 1.68 2g96A1 ILE 114 HG13 0.51 -0.01 -0.43 -0.04 1.21 1.24 2g96A1 ILE 114 HG23 -0.10 -0.03 -0.42 -0.04 0.93 0.33 2g96A1 ILE 114 HD13 -0.13 0.01 -0.19 -0.04 0.88 0.52 2g96A1 GLU 115 H 0.09 0.66 0.36 -0.55 8.60 9.16 2g96A1 GLU 115 HA 0.11 0.36 1.10 -0.75 4.29 5.10 2g96A1 GLU 115 HB2 0.05 -0.05 -0.01 -0.04 2.09 2.03 2g96A1 GLU 115 HB3 0.10 -0.05 0.03 -0.04 1.99 2.03 2g96A1 GLU 115 HG2 0.09 -0.03 0.02 -0.04 2.34 2.38 2g96A1 GLU 115 HG3 0.04 0.01 0.13 -0.04 2.34 2.48 2g96A1 VAL 116 H 0.17 0.59 0.36 -0.55 8.24 8.81 2g96A1 VAL 116 HA 0.13 0.40 1.23 -0.75 4.13 5.14 2g96A1 VAL 116 HB 0.18 -0.17 0.17 -0.04 2.12 2.26 2g96A1 VAL 116 HG13 -0.02 0.05 -0.11 -0.04 0.97 0.85 2g96A1 VAL 116 HG23 0.09 0.00 -0.28 -0.04 0.95 0.72 2g96A1 LYS 117 H 0.13 0.18 0.15 -0.55 8.42 8.32 2g96A1 LYS 117 HA 0.12 0.14 0.40 -0.75 4.32 4.22 2g96A1 LYS 117 HB2 0.13 -0.07 0.02 -0.04 1.87 1.91 2g96A1 LYS 117 HB3 0.08 0.00 -0.25 -0.04 1.79 1.58 2g96A1 LYS 117 HG2 0.10 0.04 -0.12 -0.04 1.46 1.44 2g96A1 LYS 117 HG3 0.10 0.06 -0.29 -0.04 1.46 1.29 2g96A1 LYS 117 HD2 0.11 -0.05 -0.19 -0.04 1.69 1.52 2g96A1 LYS 117 HD3 0.15 -0.05 -0.12 -0.04 1.68 1.62 2g96A1 LYS 117 HE2 0.10 -0.02 -0.08 -0.04 2.99 2.95 2g96A1 LYS 117 HE3 0.11 0.00 -0.07 -0.04 2.99 2.99 2g96A1 ALA 118 H 0.09 0.49 0.07 -0.55 8.40 8.51 2g96A1 ALA 118 HA -0.00 0.09 0.65 -0.75 4.34 4.32 2g96A1 ALA 118 HB3 0.09 0.03 -0.10 -0.04 1.41 1.39 2g96A1 VAL 119 H -0.34 0.64 0.26 -0.55 8.24 8.25 2g96A1 VAL 119 HA -0.11 0.15 0.52 -0.75 4.13 3.93 2g96A1 VAL 119 HB -0.13 0.10 -0.03 -0.04 2.12 2.02 2g96A1 VAL 119 HG13 -0.14 -0.01 -0.05 -0.04 0.97 0.72 2g96A1 VAL 119 HG23 -0.62 0.05 0.15 -0.04 0.95 0.49 2g96A1 PRO 120 HA -0.47 -0.03 0.39 -0.51 4.44 3.83 2g96A1 PRO 120 HB2 -0.31 0.08 0.01 -0.04 2.28 2.03 2g96A1 PRO 120 HB3 0.11 0.01 0.14 -0.04 2.02 2.24 2g96A1 PRO 120 HG2 -0.00 -0.01 0.06 -0.04 2.03 2.04 2g96A1 PRO 120 HG3 0.10 0.05 0.09 -0.04 2.03 2.24 2g96A1 PRO 120 HD2 -0.03 0.03 0.23 -0.04 3.68 3.87 2g96A1 PRO 120 HD3 0.02 0.24 0.30 -0.04 3.65 4.18 2g96A1 GLU 121 H -0.69 0.01 0.16 -0.55 8.60 7.54 2g96A1 GLU 121 HA 0.16 0.17 0.49 -0.75 4.29 4.35 2g96A1 GLU 121 HB2 0.11 -0.02 0.16 -0.04 2.09 2.30 2g96A1 GLU 121 HB3 0.25 -0.01 0.14 -0.04 1.99 2.33 2g96A1 GLU 121 HG2 0.13 0.12 0.09 -0.04 2.34 2.64 2g96A1 GLU 121 HG3 0.25 0.02 0.12 -0.04 2.34 2.69 2g96A1 GLY 122 H 0.08 0.71 0.35 -0.55 8.43 9.02 2g96A1 GLY 122 HA2 -0.06 -0.04 0.31 -0.51 4.01 3.72 2g96A1 GLY 122 HA3 -0.06 0.16 0.66 -0.51 4.01 4.26 2g96A1 SER 123 H 0.04 0.40 -0.47 -0.55 8.46 7.88 2g96A1 SER 123 HA 0.02 0.07 0.28 -0.75 4.49 4.10 2g96A1 SER 123 HB2 0.04 -0.06 0.01 -0.04 3.95 3.89 2g96A1 SER 123 HB3 -0.03 -0.05 -0.08 -0.04 3.93 3.73 2g96A1 VAL 124 H 0.01 0.19 0.12 -0.55 8.24 8.01 2g96A1 VAL 124 HA -0.02 0.34 0.96 -0.75 4.13 4.65 2g96A1 VAL 124 HB 0.02 -0.01 0.17 -0.04 2.12 2.26 2g96A1 VAL 124 HG13 -0.00 -0.05 -0.28 -0.04 0.97 0.60 2g96A1 VAL 124 HG23 -0.03 0.06 -0.09 -0.04 0.95 0.85 2g96A1 ILE 125 H -0.08 0.52 0.18 -0.55 8.25 8.32 2g96A1 ILE 125 HA -0.48 0.22 0.94 -0.75 4.18 4.09 2g96A1 ILE 125 HB -0.18 -0.04 -0.06 -0.04 1.89 1.58 2g96A1 ILE 125 HG12 -0.18 0.05 -0.30 -0.04 1.49 1.01 2g96A1 ILE 125 HG13 -0.30 -0.03 -0.15 -0.04 1.21 0.69 2g96A1 ILE 125 HG23 -0.58 0.03 -0.09 -0.04 0.93 0.26 2g96A1 ILE 125 HD13 -0.79 0.04 -0.36 -0.04 0.88 -0.27 2g96A1 PRO 126 HA 0.00 0.31 0.90 -0.51 4.44 5.14 2g96A1 PRO 126 HB2 0.03 0.08 0.07 -0.04 2.28 2.42 2g96A1 PRO 126 HB3 0.05 -0.04 0.04 -0.04 2.02 2.02 2g96A1 PRO 126 HG2 0.04 0.01 0.03 -0.04 2.03 2.07 2g96A1 PRO 126 HG3 0.14 -0.03 0.08 -0.04 2.03 2.18 2g96A1 PRO 126 HD2 -0.32 0.05 0.22 -0.04 3.68 3.59 2g96A1 PRO 126 HD3 0.03 0.18 0.14 -0.04 3.65 3.96 2g96A1 ARG 127 H 0.02 0.61 0.38 -0.55 8.46 8.92 2g96A1 ARG 127 HA 0.01 0.02 0.40 -0.75 4.34 4.01 2g96A1 ARG 127 HB2 0.02 -0.12 0.12 -0.04 1.90 1.87 2g96A1 ARG 127 HB3 0.01 0.02 -0.02 -0.04 1.80 1.77 2g96A1 ARG 127 HG2 0.05 0.10 0.28 -0.04 1.67 2.05 2g96A1 ARG 127 HG3 0.05 -0.05 0.22 -0.04 1.67 1.85 2g96A1 ARG 127 HD2 0.03 0.54 0.11 -0.04 3.22 3.86 2g96A1 ARG 127 HD3 0.04 -0.18 0.02 -0.04 3.22 3.06 2g96A1 GLY 128 H -0.01 0.22 -0.12 -0.55 8.43 7.98 2g96A1 GLY 128 HA2 -0.00 -0.09 0.24 -0.51 4.01 3.65 2g96A1 GLY 128 HA3 -0.00 0.15 0.61 -0.51 4.01 4.26 2g96A1 ASN 129 H -0.02 0.33 -0.29 -0.55 8.53 8.00 2g96A1 ASN 129 HA -0.03 0.06 0.68 -0.75 4.76 4.71 2g96A1 ASN 129 HB2 -0.09 0.23 -0.06 -0.04 2.88 2.91 2g96A1 ASN 129 HB3 -0.11 0.01 -0.14 -0.04 2.79 2.52 2g96A1 ASN 129 HD21 0.04 -0.06 -0.18 -0.04 7.03 6.80 2g96A1 ASN 129 HD22 -0.03 0.60 -0.19 -0.04 7.74 8.07 2g96A1 VAL 130 H -0.05 0.09 0.10 -0.55 8.24 7.83 2g96A1 VAL 130 HA 0.07 0.21 0.61 -0.75 4.13 4.26 2g96A1 VAL 130 HB -0.03 0.01 0.00 -0.04 2.12 2.06 2g96A1 VAL 130 HG13 -0.07 -0.02 -0.07 -0.04 0.97 0.76 2g96A1 VAL 130 HG23 0.01 -0.01 -0.26 -0.04 0.95 0.65 2g96A1 LEU 131 H -0.04 0.61 0.40 -0.55 8.37 8.80 2g96A1 LEU 131 HA -0.26 0.16 0.77 -0.75 4.35 4.26 2g96A1 LEU 131 HB2 0.06 -0.01 0.00 -0.04 1.64 1.66 2g96A1 LEU 131 HB3 -0.64 -0.03 0.03 -0.04 1.64 0.96 2g96A1 LEU 131 HG 0.06 0.11 -0.08 -0.04 1.64 1.70 2g96A1 LEU 131 HD13 0.39 -0.01 -0.13 -0.04 0.93 1.14 2g96A1 LEU 131 HD23 -0.11 0.03 -0.26 -0.04 0.89 0.51 2g96A1 PHE 132 H -0.17 0.21 0.23 -0.55 8.34 8.06 2g96A1 PHE 132 HA -0.09 0.10 0.40 -0.75 4.62 4.28 2g96A1 PHE 132 HB2 -0.01 0.22 0.22 -0.04 3.15 3.55 2g96A1 PHE 132 HB3 -0.21 0.10 -0.07 -0.04 3.06 2.83 2g96A1 PHE 132 HD2 0.10 0.05 -0.44 -0.04 7.28 6.94 2g96A1 PHE 132 HE2 -0.19 0.00 -0.22 -0.04 7.38 6.93 2g96A1 PHE 132 HZ -0.00 0.01 -0.26 -0.04 7.32 7.02 2g96A1 THR 133 H 0.23 0.76 0.35 -0.55 8.28 9.07 2g96A1 THR 133 HA -0.04 0.22 1.20 -0.75 4.39 5.02 2g96A1 THR 133 HB -0.62 0.01 0.03 -0.04 4.32 3.70 2g96A1 THR 133 HG23 0.01 -0.01 -0.25 -0.04 1.22 0.93 2g96A1 VAL 134 H -0.13 1.03 0.48 -0.55 8.24 9.07 2g96A1 VAL 134 HA 0.12 0.32 1.15 -0.75 4.13 4.96 2g96A1 VAL 134 HB 0.43 -0.03 0.07 -0.04 2.12 2.55 2g96A1 VAL 134 HG13 0.15 -0.00 -0.18 -0.04 0.97 0.90 2g96A1 VAL 134 HG23 0.32 -0.01 -0.26 -0.04 0.95 0.96 2g96A1 GLU 135 H 0.11 0.60 0.38 -0.55 8.60 9.13 2g96A1 GLU 135 HA 0.11 0.33 0.94 -0.75 4.29 4.91 2g96A1 GLU 135 HB2 0.24 -0.02 0.02 -0.04 2.09 2.28 2g96A1 GLU 135 HB3 0.37 -0.07 -0.11 -0.04 1.99 2.14 2g96A1 GLU 135 HG2 0.17 -0.00 0.02 -0.04 2.34 2.48 2g96A1 GLU 135 HG3 0.13 0.11 -0.32 -0.04 2.34 2.22 2g96A1 ASN 136 H 0.04 0.08 0.22 -0.55 8.53 8.32 2g96A1 ASN 136 HA -0.08 0.18 0.78 -0.75 4.76 4.89 2g96A1 ASN 136 HB2 -0.12 0.01 -0.06 -0.04 2.88 2.67 2g96A1 ASN 136 HB3 -0.15 0.00 0.17 -0.04 2.79 2.77 2g96A1 ASN 136 HD21 0.08 0.61 -0.10 -0.04 7.03 7.58 2g96A1 ASN 136 HD22 0.04 0.25 -0.52 -0.04 7.74 7.46 2g96A1 THR 137 H -0.09 0.82 0.25 -0.55 8.28 8.71 2g96A1 THR 137 HA 0.01 0.19 0.75 -0.75 4.39 4.58 2g96A1 THR 137 HB -0.04 0.03 0.05 -0.04 4.32 4.32 2g96A1 THR 137 HG23 -0.01 -0.01 -0.20 -0.04 1.22 0.96 2g96A1 ASP 138 H -0.05 0.14 -0.03 -0.55 8.40 7.91 2g96A1 ASP 138 HA 0.09 0.31 0.94 -0.75 4.63 5.21 2g96A1 ASP 138 HB2 0.07 0.10 -0.04 -0.04 2.71 2.79 2g96A1 ASP 138 HB3 0.03 -0.06 0.19 -0.04 2.70 2.83 2g96A1 PRO 139 HA 0.10 0.53 0.51 -0.51 4.44 5.07 2g96A1 PRO 139 HB2 0.06 0.02 0.01 -0.04 2.28 2.32 2g96A1 PRO 139 HB3 0.05 0.04 0.14 -0.04 2.02 2.21 2g96A1 PRO 139 HG2 0.12 -0.05 0.05 -0.04 2.03 2.11 2g96A1 PRO 139 HG3 0.07 0.08 0.07 -0.04 2.03 2.21 2g96A1 PRO 139 HD2 0.13 0.09 0.26 -0.04 3.68 4.12 2g96A1 PRO 139 HD3 0.08 0.22 0.15 -0.04 3.65 4.05 2g96A1 GLU 140 H 0.22 0.03 -0.49 -0.55 8.60 7.82 2g96A1 GLU 140 HA 0.28 0.14 0.63 -0.75 4.29 4.59 2g96A1 GLU 140 HB2 0.51 -0.02 0.05 -0.04 2.09 2.59 2g96A1 GLU 140 HB3 0.29 -0.01 0.02 -0.04 1.99 2.25 2g96A1 GLU 140 HG2 0.07 -0.01 -0.02 -0.04 2.34 2.34 2g96A1 GLU 140 HG3 -0.30 0.01 0.01 -0.04 2.34 2.01 2g96A1 CYS 141 H 0.15 0.48 -0.03 -0.55 8.50 8.55 2g96A1 CYS 141 HA -0.31 0.12 0.75 -0.75 4.58 4.39 2g96A1 CYS 141 HB2 -0.17 0.05 0.26 -0.04 2.97 3.07 2g96A1 CYS 141 HB3 -0.59 -0.09 0.25 -0.04 2.97 2.51 2g96A1 TYR 142 H 0.42 0.42 -0.56 -0.55 8.29 8.02 2g96A1 TYR 142 HA -0.12 -0.04 0.32 -0.75 4.56 3.97 2g96A1 TYR 142 HB2 -0.14 -0.09 -0.24 -0.04 3.06 2.55 2g96A1 TYR 142 HB3 -0.02 0.18 -0.28 -0.04 2.98 2.81 2g96A1 TYR 142 HD2 -0.03 0.03 -0.16 -0.04 7.15 6.94 2g96A1 TYR 142 HE2 0.32 0.06 0.09 -0.04 6.85 7.29 2g96A1 TRP 143 H -1.12 0.20 -0.23 -0.55 7.97 6.27 2g96A1 TRP 143 HA -0.24 0.11 0.37 -0.75 4.62 4.11 2g96A1 TRP 143 HB2 -0.05 -0.03 0.07 -0.04 3.23 3.17 2g96A1 TRP 143 HB3 -0.66 0.07 0.08 -0.04 3.23 2.68 2g96A1 TRP 143 HD1 -0.85 0.17 0.17 -0.04 7.22 6.67 2g96A1 TRP 143 HE1 -0.23 0.09 -0.01 -0.04 10.20 10.01 2g96A1 TRP 143 HE3 -0.05 -0.02 -0.22 -0.04 7.59 7.26 2g96A1 TRP 143 HZ2 -0.85 0.18 -0.33 -0.04 7.44 6.41 2g96A1 TRP 143 HZ3 -1.58 0.02 -0.10 -0.04 7.13 5.43 2g96A1 TRP 143 HH2 -4.28 0.01 -0.14 -0.04 7.19 2.74 2g96A1 LEU 144 H -1.11 0.42 -0.52 -0.55 8.37 6.62 2g96A1 LEU 144 HA -0.78 0.07 0.44 -0.75 4.35 3.33 2g96A1 LEU 144 HB2 -1.33 0.04 0.08 -0.04 1.64 0.39 2g96A1 LEU 144 HB3 -0.53 0.05 -0.09 -0.04 1.64 1.03 2g96A1 LEU 144 HG -1.44 -0.01 -0.05 -0.04 1.64 0.10 2g96A1 LEU 144 HD13 -0.44 0.01 -0.10 -0.04 0.93 0.35 2g96A1 LEU 144 HD23 -0.21 -0.01 -0.09 -0.04 0.89 0.54 2g96A1 THR 145 H -0.21 0.28 -0.15 -0.55 8.28 7.65 2g96A1 THR 145 HA 0.04 0.04 0.17 -0.75 4.39 3.88 2g96A1 THR 145 HB 0.05 -0.01 0.11 -0.04 4.32 4.42 2g96A1 THR 145 HG23 0.20 0.05 -0.20 -0.04 1.22 1.23 2g96A1 ASN 146 H 0.17 0.19 -0.24 -0.55 8.53 8.11 2g96A1 ASN 146 HA 0.18 0.17 0.65 -0.75 4.76 5.01 2g96A1 ASN 146 HB2 0.33 0.05 -0.02 -0.04 2.88 3.20 2g96A1 ASN 146 HB3 0.23 -0.03 0.08 -0.04 2.79 3.04 2g96A1 ASN 146 HD21 0.26 -0.02 -0.06 -0.04 7.03 7.17 2g96A1 ASN 146 HD22 0.25 0.01 -0.02 -0.04 7.74 7.94 2g96A1 TRP 147 H 0.30 0.30 -0.47 -0.55 7.97 7.55 2g96A1 TRP 147 HA 0.16 -0.00 0.46 -0.75 4.62 4.48 2g96A1 TRP 147 HB2 0.24 0.14 0.14 -0.04 3.23 3.71 2g96A1 TRP 147 HB3 0.00 0.16 0.16 -0.04 3.23 3.52 2g96A1 TRP 147 HD1 0.24 0.02 -0.45 -0.04 7.22 6.99 2g96A1 TRP 147 HE1 0.33 0.32 -0.07 -0.04 10.20 10.74 2g96A1 TRP 147 HE3 0.46 0.07 -0.08 -0.04 7.59 8.00 2g96A1 TRP 147 HZ2 0.19 0.48 0.17 -0.04 7.44 8.24 2g96A1 TRP 147 HZ3 0.12 -0.03 0.01 -0.04 7.13 7.19 2g96A1 TRP 147 HH2 0.14 -0.02 0.04 -0.04 7.19 7.31 2g96A1 ILE 148 H 0.23 0.48 -0.25 -0.55 8.25 8.16 2g96A1 ILE 148 HA 0.16 0.08 0.45 -0.75 4.18 4.11 2g96A1 ILE 148 HB 0.01 -0.04 0.03 -0.04 1.89 1.85 2g96A1 ILE 148 HG12 0.08 0.25 -0.03 -0.04 1.49 1.74 2g96A1 ILE 148 HG13 -0.01 0.07 -0.24 -0.04 1.21 0.99 2g96A1 ILE 148 HG23 0.26 0.01 -0.10 -0.04 0.93 1.05 2g96A1 ILE 148 HD13 -0.03 -0.03 -0.15 -0.04 0.88 0.63 2g96A1 GLU 149 H -0.10 0.35 -0.95 -0.55 8.60 7.36 2g96A1 GLU 149 HA -1.11 0.10 0.37 -0.75 4.29 2.90 2g96A1 GLU 149 HB2 -0.58 0.01 0.09 -0.04 2.09 1.57 2g96A1 GLU 149 HB3 -0.12 0.28 0.20 -0.04 1.99 2.30 2g96A1 GLU 149 HG2 -0.07 -0.06 -0.25 -0.04 2.34 1.92 2g96A1 GLU 149 HG3 -0.28 -0.06 -0.14 -0.04 2.34 1.82 2g96A1 THR 150 H -0.10 0.21 -0.05 -0.55 8.28 7.80 2g96A1 THR 150 HA 0.01 0.03 0.31 -0.75 4.39 3.98 2g96A1 THR 150 HB -0.04 0.10 0.19 -0.04 4.32 4.52 2g96A1 THR 150 HG23 0.02 0.01 -0.09 -0.04 1.22 1.12 2g96A1 ILE 151 H -0.04 0.15 -0.20 -0.55 8.25 7.61 2g96A1 ILE 151 HA -0.07 0.03 0.34 -0.75 4.18 3.73 2g96A1 ILE 151 HB 0.01 0.12 0.07 -0.04 1.89 2.05 2g96A1 ILE 151 HG12 -0.20 -0.02 -0.16 -0.04 1.49 1.06 2g96A1 ILE 151 HG13 -0.31 -0.03 0.04 -0.04 1.21 0.87 2g96A1 ILE 151 HG23 -0.01 -0.00 -0.13 -0.04 0.93 0.75 2g96A1 ILE 151 HD13 -0.06 0.01 -0.10 -0.04 0.88 0.69 2g96A1 LEU 152 H -0.10 0.47 -0.40 -0.55 8.37 7.79 2g96A1 LEU 152 HA -0.12 0.05 0.56 -0.75 4.35 4.09 2g96A1 LEU 152 HB2 -0.16 0.19 0.13 -0.04 1.64 1.75 2g96A1 LEU 152 HB3 -0.01 -0.09 -0.07 -0.04 1.64 1.43 2g96A1 LEU 152 HG -0.13 -0.01 -0.08 -0.04 1.64 1.37 2g96A1 LEU 152 HD13 -0.07 -0.00 -0.15 -0.04 0.93 0.66 2g96A1 LEU 152 HD23 -0.31 -0.02 -0.10 -0.04 0.89 0.42 2g96A1 VAL 153 H 0.04 0.72 0.02 -0.55 8.24 8.46 2g96A1 VAL 153 HA 0.49 0.04 0.35 -0.75 4.13 4.25 2g96A1 VAL 153 HB 0.18 0.11 0.07 -0.04 2.12 2.43 2g96A1 VAL 153 HG13 0.36 -0.03 -0.06 -0.04 0.97 1.20 2g96A1 VAL 153 HG23 0.20 0.06 -0.03 -0.04 0.95 1.13 2g96A1 GLN 154 H 0.10 0.40 -0.49 -0.55 8.47 7.93 2g96A1 GLN 154 HA 0.33 -0.03 0.36 -0.75 4.36 4.27 2g96A1 GLN 154 HB2 -0.05 0.31 0.02 -0.04 2.15 2.39 2g96A1 GLN 154 HB3 -0.05 -0.10 0.07 -0.04 2.02 1.90 2g96A1 GLN 154 HG2 0.17 -0.10 0.01 -0.04 2.40 2.44 2g96A1 GLN 154 HG3 0.05 0.29 0.04 -0.04 2.39 2.73 2g96A1 GLN 154 HE21 -0.02 -0.02 -0.04 -0.04 6.97 6.85 2g96A1 GLN 154 HE22 0.02 -0.01 -0.10 -0.04 7.69 7.56 2g96A1 SER 155 H 0.05 0.47 -0.88 -0.55 8.46 7.55 2g96A1 SER 155 HA -0.20 0.03 0.35 -0.75 4.49 3.92 2g96A1 SER 155 HB2 -0.24 -0.10 -0.03 -0.04 3.95 3.54 2g96A1 SER 155 HB3 -0.17 0.04 0.01 -0.04 3.93 3.77 2g96A1 TRP 156 H 0.31 0.76 -0.31 -0.55 7.97 8.18 2g96A1 TRP 156 HA 0.30 0.03 0.32 -0.75 4.62 4.52 2g96A1 TRP 156 HB2 0.18 -0.09 0.08 -0.04 3.23 3.36 2g96A1 TRP 156 HB3 0.29 0.16 0.14 -0.04 3.23 3.79 2g96A1 TRP 156 HD1 0.13 0.31 -0.07 -0.04 7.22 7.55 2g96A1 TRP 156 HE1 0.05 -0.01 0.00 -0.04 10.20 10.20 2g96A1 TRP 156 HE3 0.11 0.01 -0.45 -0.04 7.59 7.22 2g96A1 TRP 156 HZ2 0.00 0.01 0.01 -0.04 7.44 7.42 2g96A1 TRP 156 HZ3 0.15 -0.03 -0.53 -0.04 7.13 6.68 2g96A1 TRP 156 HH2 0.17 0.29 -0.10 -0.04 7.19 7.51 2g96A1 TYR 157 H -1.37 0.40 -0.43 -0.55 8.29 6.34 2g96A1 TYR 157 HA -1.68 -0.01 0.35 -0.75 4.56 2.46 2g96A1 TYR 157 HB2 -2.02 -0.05 0.08 -0.04 3.06 1.02 2g96A1 TYR 157 HB3 -0.85 0.19 0.15 -0.04 2.98 2.43 2g96A1 TYR 157 HD2 -0.56 0.00 -0.05 -0.04 7.15 6.50 2g96A1 TYR 157 HE2 -0.11 0.04 0.04 -0.04 6.85 6.78 2g96A1 PRO 158 HA -0.45 -0.00 0.39 -0.51 4.44 3.87 2g96A1 PRO 158 HB2 -0.32 0.05 -0.19 -0.04 2.28 1.78 2g96A1 PRO 158 HB3 -0.28 -0.02 0.01 -0.04 2.02 1.68 2g96A1 PRO 158 HG2 -0.31 0.36 0.19 -0.04 2.03 2.22 2g96A1 PRO 158 HG3 -0.30 -0.06 0.09 -0.04 2.03 1.72 2g96A1 PRO 158 HD2 -0.37 0.10 0.05 -0.04 3.68 3.41 2g96A1 PRO 158 HD3 -0.18 0.04 0.11 -0.04 3.65 3.57 2g96A1 ILE 159 H -0.21 0.36 -0.54 -0.55 8.25 7.31 2g96A1 ILE 159 HA -0.05 0.09 0.50 -0.75 4.18 3.97 2g96A1 ILE 159 HB 0.08 0.10 0.16 -0.04 1.89 2.19 2g96A1 ILE 159 HG12 -0.10 -0.28 0.22 -0.04 1.49 1.29 2g96A1 ILE 159 HG13 -0.17 0.26 0.12 -0.04 1.21 1.37 2g96A1 ILE 159 HG23 0.13 0.07 -0.15 -0.04 0.93 0.94 2g96A1 ILE 159 HD13 0.23 -0.03 -0.13 -0.04 0.88 0.90 2g96A1 THR 160 H -0.01 0.68 0.11 -0.55 8.28 8.50 2g96A1 THR 160 HA -0.02 -0.01 0.42 -0.75 4.39 4.03 2g96A1 THR 160 HB 0.05 0.06 0.16 -0.04 4.32 4.55 2g96A1 THR 160 HG23 0.18 -0.04 -0.08 -0.04 1.22 1.25 2g96A1 VAL 161 H -0.34 0.72 -0.08 -0.55 8.24 7.99 2g96A1 VAL 161 HA -0.13 0.04 0.35 -0.75 4.13 3.64 2g96A1 VAL 161 HB -0.33 0.03 0.13 -0.04 2.12 1.90 2g96A1 VAL 161 HG13 -0.14 0.04 -0.01 -0.04 0.97 0.82 2g96A1 VAL 161 HG23 -0.94 0.14 0.02 -0.04 0.95 0.13 2g96A1 ALA 162 H -0.15 0.66 -0.15 -0.55 8.40 8.22 2g96A1 ALA 162 HA -0.12 0.02 0.25 -0.75 4.34 3.74 2g96A1 ALA 162 HB3 -0.07 0.02 0.17 -0.04 1.41 1.49 2g96A1 THR 163 H -0.09 0.84 -0.12 -0.55 8.28 8.36 2g96A1 THR 163 HA -0.08 0.03 0.49 -0.75 4.39 4.07 2g96A1 THR 163 HB -0.18 0.01 0.22 -0.04 4.32 4.32 2g96A1 THR 163 HG23 -0.18 -0.00 -0.02 -0.04 1.22 0.98 2g96A1 ASN 164 H -0.14 0.84 0.18 -0.55 8.53 8.86 2g96A1 ASN 164 HA -0.10 -0.01 0.46 -0.75 4.76 4.36 2g96A1 ASN 164 HB2 -0.12 0.02 0.16 -0.04 2.88 2.90 2g96A1 ASN 164 HB3 -0.03 0.11 0.11 -0.04 2.79 2.94 2g96A1 ASN 164 HD21 0.07 -0.24 0.05 -0.04 7.03 6.87 2g96A1 ASN 164 HD22 0.04 0.06 -0.21 -0.04 7.74 7.59 2g96A1 SER 165 H -0.03 0.69 -0.30 -0.55 8.46 8.27 2g96A1 SER 165 HA 0.12 -0.07 0.46 -0.75 4.49 4.25 2g96A1 SER 165 HB2 0.03 0.23 0.06 -0.04 3.95 4.23 2g96A1 SER 165 HB3 -0.01 0.17 0.11 -0.04 3.93 4.16 2g96A1 ARG 166 H -0.05 0.58 -0.02 -0.55 8.46 8.43 2g96A1 ARG 166 HA -0.12 0.01 0.44 -0.75 4.34 3.91 2g96A1 ARG 166 HB2 -0.14 0.08 0.16 -0.04 1.90 1.95 2g96A1 ARG 166 HB3 -0.08 0.09 0.23 -0.04 1.80 2.00 2g96A1 ARG 166 HG2 -0.05 -0.08 -0.12 -0.04 1.67 1.38 2g96A1 ARG 166 HG3 -0.11 -0.08 0.11 -0.04 1.67 1.55 2g96A1 ARG 166 HD2 -0.13 0.12 0.04 -0.04 3.22 3.21 2g96A1 ARG 166 HD3 -0.08 -0.11 -0.04 -0.04 3.22 2.96 2g96A1 GLU 167 H 0.01 0.35 -0.46 -0.55 8.60 7.95 2g96A1 GLU 167 HA 0.04 0.07 0.66 -0.75 4.29 4.32 2g96A1 GLU 167 HB2 0.09 0.05 0.17 -0.04 2.09 2.36 2g96A1 GLU 167 HB3 0.15 -0.09 0.07 -0.04 1.99 2.09 2g96A1 GLU 167 HG2 -0.01 0.26 -0.02 -0.04 2.34 2.53 2g96A1 GLU 167 HG3 0.23 -0.04 0.01 -0.04 2.34 2.51 2g96A1 GLN 168 H 0.08 0.50 -0.17 -0.55 8.47 8.34 2g96A1 GLN 168 HA 0.02 0.02 0.63 -0.75 4.36 4.28 2g96A1 GLN 168 HB2 0.09 0.22 0.16 -0.04 2.15 2.57 2g96A1 GLN 168 HB3 -0.03 -0.11 0.04 -0.04 2.02 1.87 2g96A1 GLN 168 HG2 0.01 -0.14 0.05 -0.04 2.40 2.27 2g96A1 GLN 168 HG3 0.05 0.46 0.18 -0.04 2.39 3.04 2g96A1 GLN 168 HE21 -0.04 -0.07 -0.20 -0.04 6.97 6.62 2g96A1 GLN 168 HE22 -0.07 -0.03 -0.28 -0.04 7.69 7.26 2g96A1 LYS 169 H 0.15 0.36 -0.19 -0.55 8.42 8.19 2g96A1 LYS 169 HA 0.37 0.05 0.44 -0.75 4.32 4.43 2g96A1 LYS 169 HB2 -0.29 0.07 0.11 -0.04 1.87 1.72 2g96A1 LYS 169 HB3 -0.13 0.14 0.14 -0.04 1.79 1.91 2g96A1 LYS 169 HG2 -0.18 -0.12 -0.06 -0.04 1.46 1.07 2g96A1 LYS 169 HG3 -0.39 0.06 0.10 -0.04 1.46 1.18 2g96A1 LYS 169 HD2 -1.18 0.30 0.14 -0.04 1.69 0.91 2g96A1 LYS 169 HD3 -0.42 -0.01 0.07 -0.04 1.68 1.28 2g96A1 LYS 169 HE2 -0.24 -0.15 0.00 -0.04 2.99 2.56 2g96A1 LYS 169 HE3 -0.39 -0.04 -0.01 -0.04 2.99 2.51 2g96A1 LYS 170 H 0.02 0.38 -0.26 -0.55 8.42 8.01 2g96A1 LYS 170 HA 0.01 0.01 0.42 -0.75 4.32 4.01 2g96A1 LYS 170 HB2 0.04 0.16 0.14 -0.04 1.87 2.17 2g96A1 LYS 170 HB3 0.03 -0.06 0.04 -0.04 1.79 1.76 2g96A1 LYS 170 HG2 -0.01 -0.10 0.10 -0.04 1.46 1.41 2g96A1 LYS 170 HG3 -0.01 0.41 0.23 -0.04 1.46 2.06 2g96A1 LYS 170 HD2 0.03 0.00 0.09 -0.04 1.69 1.78 2g96A1 LYS 170 HD3 0.02 -0.07 0.05 -0.04 1.68 1.64 2g96A1 LYS 170 HE2 0.00 -0.04 0.01 -0.04 2.99 2.93 2g96A1 LYS 170 HE3 0.00 0.11 -0.03 -0.04 2.99 3.03 2g96A1 ILE 171 H 0.04 0.32 -0.34 -0.55 8.25 7.73 2g96A1 ILE 171 HA 0.10 0.02 0.39 -0.75 4.18 3.93 2g96A1 ILE 171 HB -0.03 0.12 0.13 -0.04 1.89 2.07 2g96A1 ILE 171 HG12 0.04 -0.04 0.06 -0.04 1.49 1.51 2g96A1 ILE 171 HG13 0.03 0.19 0.14 -0.04 1.21 1.54 2g96A1 ILE 171 HG23 -0.13 -0.03 -0.17 -0.04 0.93 0.55 2g96A1 ILE 171 HD13 -0.03 -0.05 0.07 -0.04 0.88 0.84 2g96A1 LEU 172 H 0.04 0.48 -0.24 -0.55 8.37 8.10 2g96A1 LEU 172 HA 0.01 -0.00 0.38 -0.75 4.35 3.99 2g96A1 LEU 172 HB2 0.12 0.15 0.17 -0.04 1.64 2.04 2g96A1 LEU 172 HB3 0.09 -0.01 0.01 -0.04 1.64 1.70 2g96A1 LEU 172 HG -0.06 0.08 0.03 -0.04 1.64 1.66 2g96A1 LEU 172 HD13 0.08 -0.02 -0.14 -0.04 0.93 0.81 2g96A1 LEU 172 HD23 -0.14 -0.01 -0.02 -0.04 0.89 0.67 2g96A1 ALA 173 H 0.06 0.67 -0.14 -0.55 8.40 8.44 2g96A1 ALA 173 HA 0.04 -0.02 0.40 -0.75 4.34 4.00 2g96A1 ALA 173 HB3 0.01 0.02 0.12 -0.04 1.41 1.52 2g96A1 LYS 174 H 0.07 0.93 0.06 -0.55 8.42 8.92 2g96A1 LYS 174 HA -0.00 -0.06 0.34 -0.75 4.32 3.84 2g96A1 LYS 174 HB2 0.08 0.10 0.15 -0.04 1.87 2.15 2g96A1 LYS 174 HB3 0.26 0.08 0.15 -0.04 1.79 2.24 2g96A1 LYS 174 HG2 0.03 -0.04 -0.00 -0.04 1.46 1.41 2g96A1 LYS 174 HG3 -0.15 -0.00 -0.06 -0.04 1.46 1.20 2g96A1 LYS 174 HD2 -0.02 -0.02 0.05 -0.04 1.69 1.67 2g96A1 LYS 174 HD3 0.02 -0.01 0.02 -0.04 1.68 1.66 2g96A1 LYS 174 HE2 -0.03 -0.01 0.00 -0.04 2.99 2.91 2g96A1 LYS 174 HE3 -0.07 0.00 0.01 -0.04 2.99 2.89 2g96A1 TYR 175 H 0.34 0.46 -0.26 -0.55 8.29 8.27 2g96A1 TYR 175 HA -0.04 0.07 0.51 -0.75 4.56 4.35 2g96A1 TYR 175 HB2 -0.02 0.06 0.07 -0.04 3.06 3.13 2g96A1 TYR 175 HB3 -0.03 -0.01 -0.05 -0.04 2.98 2.84 2g96A1 TYR 175 HD2 -0.00 0.15 0.03 -0.04 7.15 7.28 2g96A1 TYR 175 HE2 0.02 -0.05 0.01 -0.04 6.85 6.78 2g96A1 LEU 176 H 0.10 0.97 0.09 -0.55 8.37 8.98 2g96A1 LEU 176 HA 0.04 -0.11 0.33 -0.75 4.35 3.86 2g96A1 LEU 176 HB2 0.07 0.20 0.12 -0.04 1.64 1.99 2g96A1 LEU 176 HB3 0.04 -0.01 0.11 -0.04 1.64 1.74 2g96A1 LEU 176 HG 0.06 0.03 -0.16 -0.04 1.64 1.53 2g96A1 LEU 176 HD13 0.07 -0.01 -0.23 -0.04 0.93 0.71 2g96A1 LEU 176 HD23 0.02 0.02 -0.16 -0.04 0.89 0.73 2g96A1 LEU 177 H 0.01 0.66 -0.15 -0.55 8.37 8.34 2g96A1 LEU 177 HA -0.01 -0.06 0.41 -0.75 4.35 3.93 2g96A1 LEU 177 HB2 -0.01 0.02 0.01 -0.04 1.64 1.63 2g96A1 LEU 177 HB3 -0.03 0.16 0.13 -0.04 1.64 1.85 2g96A1 LEU 177 HG -0.02 -0.04 -0.22 -0.04 1.64 1.32 2g96A1 LEU 177 HD13 -0.01 -0.03 -0.18 -0.04 0.93 0.67 2g96A1 LEU 177 HD23 -0.02 -0.01 -0.06 -0.04 0.89 0.76 2g96A1 GLU 178 H -0.08 0.53 0.01 -0.55 8.60 8.51 2g96A1 GLU 178 HA -0.06 0.01 0.54 -0.75 4.29 4.03 2g96A1 GLU 178 HB2 -0.09 -0.03 0.19 -0.04 2.09 2.13 2g96A1 GLU 178 HB3 -0.09 -0.06 0.15 -0.04 1.99 1.95 2g96A1 GLU 178 HG2 -0.22 0.39 0.17 -0.04 2.34 2.63 2g96A1 GLU 178 HG3 -0.25 0.06 0.16 -0.04 2.34 2.27 2g96A1 THR 179 H -0.11 0.13 0.02 -0.55 8.28 7.78 2g96A1 THR 179 HA -0.76 0.02 0.41 -0.75 4.39 3.30 2g96A1 THR 179 HB -0.19 0.45 -0.13 -0.04 4.32 4.41 2g96A1 THR 179 HG23 -0.22 -0.16 0.02 -0.04 1.22 0.81 2g96A1 SER 180 H -0.06 0.34 0.37 -0.55 8.46 8.56 2g96A1 SER 180 HA 0.01 0.13 0.93 -0.75 4.49 4.80 2g96A1 SER 180 HB2 0.01 -0.05 0.09 -0.04 3.95 3.96 2g96A1 SER 180 HB3 -0.00 -0.04 -0.06 -0.04 3.93 3.78 2g96A1 GLY 181 H -0.02 0.48 0.49 -0.55 8.43 8.83 2g96A1 GLY 181 HA2 -0.01 0.03 0.41 -0.51 4.01 3.93 2g96A1 GLY 181 HA3 0.00 0.08 0.58 -0.51 4.01 4.17 2g96A1 ASN 182 H -0.00 0.30 -0.04 -0.55 8.53 8.24 2g96A1 ASN 182 HA 0.00 0.09 0.43 -0.75 4.76 4.53 2g96A1 ASN 182 HB2 0.01 -0.21 0.16 -0.04 2.88 2.79 2g96A1 ASN 182 HB3 0.00 0.28 -0.21 -0.04 2.79 2.83 2g96A1 ASN 182 HD21 0.01 0.03 -0.12 -0.04 7.03 6.90 2g96A1 ASN 182 HD22 0.01 0.10 -0.24 -0.04 7.74 7.57 2g96A1 LEU 183 H 0.01 0.14 0.07 -0.55 8.37 8.04 2g96A1 LEU 183 HA 0.02 0.29 0.78 -0.75 4.35 4.69 2g96A1 LEU 183 HB2 0.00 0.01 0.02 -0.04 1.64 1.64 2g96A1 LEU 183 HB3 0.01 -0.04 0.15 -0.04 1.64 1.72 2g96A1 LEU 183 HG 0.00 -0.08 -0.51 -0.04 1.64 1.00 2g96A1 LEU 183 HD13 -0.01 0.01 -0.06 -0.04 0.93 0.83 2g96A1 LEU 183 HD23 0.02 0.09 0.02 -0.04 0.89 0.99 2g96A1 ASP 184 H 0.02 0.14 -0.10 -0.55 8.40 7.91 2g96A1 ASP 184 HA 0.03 -0.00 0.42 -0.75 4.63 4.32 2g96A1 ASP 184 HB2 0.02 0.09 0.07 -0.04 2.71 2.85 2g96A1 ASP 184 HB3 0.02 0.04 0.03 -0.04 2.70 2.75 2g96A1 GLY 185 H 0.07 0.11 0.26 -0.55 8.43 8.33 2g96A1 GLY 185 HA2 0.19 -0.02 0.33 -0.51 4.01 4.00 2g96A1 GLY 185 HA3 0.10 0.29 0.62 -0.51 4.01 4.50 2g96A1 LEU 186 H 0.07 0.63 -0.09 -0.55 8.37 8.43 2g96A1 LEU 186 HA 0.12 0.09 0.24 -0.75 4.35 4.04 2g96A1 LEU 186 HB2 0.05 0.01 0.07 -0.04 1.64 1.73 2g96A1 LEU 186 HB3 0.02 0.00 0.09 -0.04 1.64 1.71 2g96A1 LEU 186 HG 0.02 -0.04 0.01 -0.04 1.64 1.58 2g96A1 LEU 186 HD13 -0.07 0.00 -0.10 -0.04 0.93 0.72 2g96A1 LEU 186 HD23 0.12 0.03 0.03 -0.04 0.89 1.02 2g96A1 GLU 187 H 0.11 -0.04 -0.66 -0.55 8.60 7.47 2g96A1 GLU 187 HA -0.01 0.31 0.79 -0.75 4.29 4.62 2g96A1 GLU 187 HB2 -0.25 -0.08 0.06 -0.04 2.09 1.79 2g96A1 GLU 187 HB3 -0.14 0.10 0.00 -0.04 1.99 1.91 2g96A1 GLU 187 HG2 0.03 -0.05 -0.02 -0.04 2.34 2.27 2g96A1 GLU 187 HG3 0.15 -0.00 -0.10 -0.04 2.34 2.35 2g96A1 TYR 188 H 0.27 0.67 -0.28 -0.55 8.29 8.40 2g96A1 TYR 188 HA 0.14 0.03 0.75 -0.75 4.56 4.73 2g96A1 TYR 188 HB2 0.06 0.10 0.13 -0.04 3.06 3.32 2g96A1 TYR 188 HB3 0.09 0.02 0.11 -0.04 2.98 3.15 2g96A1 TYR 188 HD2 0.08 -0.06 -0.13 -0.04 7.15 7.00 2g96A1 TYR 188 HE2 0.06 0.02 -0.09 -0.04 6.85 6.81 2g96A1 LYS 189 H 0.17 0.05 -0.20 -0.55 8.42 7.89 2g96A1 LYS 189 HA 0.12 0.21 0.92 -0.75 4.32 4.81 2g96A1 LYS 189 HB2 0.20 0.09 -0.10 -0.04 1.87 2.02 2g96A1 LYS 189 HB3 0.13 -0.05 -0.05 -0.04 1.79 1.77 2g96A1 LYS 189 HG2 0.14 -0.01 -0.06 -0.04 1.46 1.48 2g96A1 LYS 189 HG3 0.18 -0.01 0.11 -0.04 1.46 1.70 2g96A1 LYS 189 HD2 0.10 0.03 0.00 -0.04 1.69 1.78 2g96A1 LYS 189 HD3 0.14 0.17 -0.34 -0.04 1.68 1.61 2g96A1 LYS 189 HE2 0.07 0.02 -0.12 -0.04 2.99 2.91 2g96A1 LYS 189 HE3 0.09 -0.09 -0.22 -0.04 2.99 2.72 2g96A1 LEU 190 H -0.30 0.09 0.02 -0.55 8.37 7.63 2g96A1 LEU 190 HA -0.19 0.11 0.72 -0.75 4.35 4.23 2g96A1 LEU 190 HB2 -1.64 0.04 0.00 -0.04 1.64 0.00 2g96A1 LEU 190 HB3 -0.61 -0.01 -0.03 -0.04 1.64 0.94 2g96A1 LEU 190 HG -0.30 0.05 -0.14 -0.04 1.64 1.22 2g96A1 LEU 190 HD13 -0.20 0.00 -0.07 -0.04 0.93 0.62 2g96A1 LEU 190 HD23 -0.17 -0.03 -0.14 -0.04 0.89 0.51 2g96A1 HIS 191 H -0.21 0.58 0.25 -0.55 8.41 8.49 2g96A1 HIS 191 HA -0.12 0.50 0.91 -0.75 4.63 5.16 2g96A1 HIS 191 HB2 -0.13 0.10 -0.14 -0.04 3.26 3.06 2g96A1 HIS 191 HB3 -0.63 -0.13 -0.03 -0.04 3.20 2.37 2g96A1 HIS 191 HD2 0.13 0.05 -0.18 -0.04 6.97 6.93 2g96A1 HIS 191 HE1 0.20 -0.04 -0.55 -0.04 7.75 7.32 2g96A1 ASP 192 H -0.49 0.55 0.31 -0.55 8.40 8.22 2g96A1 ASP 192 HA -0.38 0.16 0.77 -0.75 4.63 4.43 2g96A1 ASP 192 HB2 -0.81 0.13 0.09 -0.04 2.71 2.08 2g96A1 ASP 192 HB3 -0.35 0.02 0.26 -0.04 2.70 2.59 2g96A1 PHE 193 H 0.02 0.56 0.41 -0.55 8.34 8.77 2g96A1 PHE 193 HA 0.06 0.18 0.86 -0.75 4.62 4.97 2g96A1 PHE 193 HB2 0.01 0.01 -0.20 -0.04 3.15 2.93 2g96A1 PHE 193 HB3 0.03 -0.06 -0.01 -0.04 3.06 2.98 2g96A1 PHE 193 HD2 0.08 0.08 -0.38 -0.04 7.28 7.02 2g96A1 PHE 193 HE2 -0.16 0.02 -0.16 -0.04 7.38 7.04 2g96A1 PHE 193 HZ -0.22 0.08 -0.19 -0.04 7.32 6.95 2g96A1 GLY 194 H 0.09 0.25 0.23 -0.55 8.43 8.45 2g96A1 GLY 194 HA2 0.11 -0.06 0.13 -0.51 4.01 3.68 2g96A1 GLY 194 HA3 0.07 0.15 0.20 -0.51 4.01 3.92 2g96A1 TYR 195 H 0.22 0.55 -0.42 -0.55 8.29 8.09 2g96A1 TYR 195 HA 0.02 0.05 0.43 -0.75 4.56 4.30 2g96A1 TYR 195 HB2 0.03 -0.01 0.04 -0.04 3.06 3.08 2g96A1 TYR 195 HB3 0.02 0.07 0.08 -0.04 2.98 3.10 2g96A1 TYR 195 HD2 0.01 0.06 0.12 -0.04 7.15 7.30 2g96A1 TYR 195 HE2 0.00 0.01 0.02 -0.04 6.85 6.84 2g96A1 ARG 196 H 0.11 0.22 0.04 -0.55 8.46 8.28 2g96A1 ARG 196 HA -0.00 0.14 0.47 -0.75 4.34 4.20 2g96A1 ARG 196 HB2 -0.01 0.05 0.09 -0.04 1.90 1.98 2g96A1 ARG 196 HB3 -0.02 -0.00 0.09 -0.04 1.80 1.82 2g96A1 ARG 196 HG2 0.04 0.00 -0.00 -0.04 1.67 1.67 2g96A1 ARG 196 HG3 0.04 0.05 -0.54 -0.04 1.67 1.17 2g96A1 ARG 196 HD2 0.02 -0.03 -0.06 -0.04 3.22 3.11 2g96A1 ARG 196 HD3 0.00 0.03 -0.05 -0.04 3.22 3.17 2g96A1 GLY 197 H 0.10 -0.10 -0.76 -0.55 8.43 7.14 2g96A1 GLY 197 HA2 0.05 0.15 0.54 -0.51 4.01 4.24 2g96A1 GLY 197 HA3 0.07 -0.21 0.19 -0.51 4.01 3.55 2g96A1 VAL 198 H 0.10 0.29 -0.19 -0.55 8.24 7.89 2g96A1 VAL 198 HA 0.05 0.04 0.43 -0.75 4.13 3.91 2g96A1 VAL 198 HB 0.03 -0.17 0.05 -0.04 2.12 1.98 2g96A1 VAL 198 HG13 0.07 0.11 -0.10 -0.04 0.97 1.01 2g96A1 VAL 198 HG23 0.12 0.03 0.02 -0.04 0.95 1.07 2g96A1 SER 199 H -0.01 0.10 0.14 -0.55 8.46 8.15 2g96A1 SER 199 HA 0.02 0.20 0.48 -0.75 4.49 4.43 2g96A1 SER 199 HB2 -0.00 0.03 0.11 -0.04 3.95 4.04 2g96A1 SER 199 HB3 0.00 0.03 0.12 -0.04 3.93 4.04 2g96A1 SER 200 H 0.02 0.12 -0.19 -0.55 8.46 7.87 2g96A1 SER 200 HA 0.03 0.22 0.43 -0.75 4.49 4.41 2g96A1 SER 200 HB2 0.02 -0.10 0.14 -0.04 3.95 3.98 2g96A1 SER 200 HB3 0.01 0.32 -0.10 -0.04 3.93 4.12 2g96A1 GLN 201 H 0.05 0.25 0.14 -0.55 8.47 8.37 2g96A1 GLN 201 HA 0.18 0.13 0.45 -0.75 4.36 4.37 2g96A1 GLN 201 HB2 0.06 -0.02 0.20 -0.04 2.15 2.36 2g96A1 GLN 201 HB3 0.09 0.05 -0.01 -0.04 2.02 2.10 2g96A1 GLN 201 HG2 0.06 0.03 0.07 -0.04 2.40 2.53 2g96A1 GLN 201 HG3 0.07 0.08 0.04 -0.04 2.39 2.54 2g96A1 GLN 201 HE21 -0.02 0.01 -0.04 -0.04 6.97 6.88 2g96A1 GLN 201 HE22 0.05 0.03 -0.04 -0.04 7.69 7.69 2g96A1 GLU 202 H 0.04 0.19 0.03 -0.55 8.60 8.31 2g96A1 GLU 202 HA 0.02 0.09 0.32 -0.75 4.29 3.97 2g96A1 GLU 202 HB2 0.06 0.09 0.09 -0.04 2.09 2.29 2g96A1 GLU 202 HB3 0.03 -0.03 0.04 -0.04 1.99 1.99 2g96A1 GLU 202 HG2 0.00 -0.01 -0.38 -0.04 2.34 1.91 2g96A1 GLU 202 HG3 0.09 -0.00 0.01 -0.04 2.34 2.40 2g96A1 THR 203 H -0.01 0.03 -0.73 -0.55 8.28 7.01 2g96A1 THR 203 HA -0.09 0.11 0.43 -0.75 4.39 4.09 2g96A1 THR 203 HB -0.04 0.03 0.06 -0.04 4.32 4.33 2g96A1 THR 203 HG23 -0.28 0.00 -0.03 -0.04 1.22 0.87 2g96A1 ALA 204 H -0.00 0.48 0.00 -0.55 8.40 8.34 2g96A1 ALA 204 HA -0.05 0.00 0.38 -0.75 4.34 3.92 2g96A1 ALA 204 HB3 -0.20 0.03 0.14 -0.04 1.41 1.33 2g96A1 GLY 205 H -0.10 0.46 -0.32 -0.55 8.43 7.93 2g96A1 GLY 205 HA2 -0.17 -0.15 -0.01 -0.51 4.01 3.17 2g96A1 GLY 205 HA3 -0.12 0.10 0.11 -0.51 4.01 3.60 2g96A1 ILE 206 H -0.15 0.50 -0.07 -0.55 8.25 7.98 2g96A1 ILE 206 HA -0.34 0.04 0.34 -0.75 4.18 3.47 2g96A1 ILE 206 HB -0.06 0.02 0.20 -0.04 1.89 2.01 2g96A1 ILE 206 HG12 -0.94 -0.02 0.02 -0.04 1.49 0.51 2g96A1 ILE 206 HG13 -0.47 0.01 0.08 -0.04 1.21 0.79 2g96A1 ILE 206 HG23 -0.10 0.00 -0.15 -0.04 0.93 0.64 2g96A1 ILE 206 HD13 -0.05 -0.01 -0.07 -0.04 0.88 0.71 2g96A1 GLY 207 H 0.07 0.70 -0.00 -0.55 8.43 8.65 2g96A1 GLY 207 HA2 -0.26 0.06 0.41 -0.51 4.01 3.71 2g96A1 GLY 207 HA3 0.02 0.08 0.30 -0.51 4.01 3.89 2g96A1 ALA 208 H -0.09 0.55 -0.10 -0.55 8.40 8.22 2g96A1 ALA 208 HA -0.06 -0.02 0.42 -0.75 4.34 3.91 2g96A1 ALA 208 HB3 -0.15 -0.03 0.16 -0.04 1.41 1.35 2g96A1 SER 209 H -0.12 0.53 -0.32 -0.55 8.46 8.00 2g96A1 SER 209 HA -0.18 0.01 0.33 -0.75 4.49 3.90 2g96A1 SER 209 HB2 -0.25 -0.04 0.08 -0.04 3.95 3.69 2g96A1 SER 209 HB3 -0.17 0.10 0.18 -0.04 3.93 4.00 2g96A1 ALA 210 H -0.06 0.30 -0.52 -0.55 8.40 7.57 2g96A1 ALA 210 HA -0.28 0.05 0.53 -0.75 4.34 3.89 2g96A1 ALA 210 HB3 -0.09 0.02 0.15 -0.04 1.41 1.45 2g96A1 HIS 211 H 0.03 0.42 0.00 -0.55 8.41 8.32 2g96A1 HIS 211 HA -0.01 0.05 0.40 -0.75 4.63 4.31 2g96A1 HIS 211 HB2 -0.06 -0.04 0.07 -0.04 3.26 3.19 2g96A1 HIS 211 HB3 -0.07 0.11 0.16 -0.04 3.20 3.36 2g96A1 HIS 211 HD2 -0.06 0.02 -0.29 -0.04 6.97 6.59 2g96A1 HIS 211 HE1 -0.64 -0.06 -0.16 -0.04 7.75 6.85 2g96A1 LEU 212 H 0.02 0.37 -0.34 -0.55 8.37 7.88 2g96A1 LEU 212 HA -0.02 0.43 0.42 -0.75 4.35 4.42 2g96A1 LEU 212 HB2 0.00 0.06 -0.02 -0.04 1.64 1.64 2g96A1 LEU 212 HB3 0.14 -0.02 0.00 -0.04 1.64 1.73 2g96A1 LEU 212 HG 0.01 0.09 -0.09 -0.04 1.64 1.60 2g96A1 LEU 212 HD13 -0.11 -0.05 -0.20 -0.04 0.93 0.53 2g96A1 LEU 212 HD23 0.03 0.02 -0.20 -0.04 0.89 0.70 2g96A1 VAL 213 H -0.15 0.37 -0.86 -0.55 8.24 7.04 2g96A1 VAL 213 HA -0.61 -0.01 0.40 -0.75 4.13 3.15 2g96A1 VAL 213 HB -0.33 0.17 0.15 -0.04 2.12 2.07 2g96A1 VAL 213 HG13 -0.40 -0.03 -0.13 -0.04 0.97 0.37 2g96A1 VAL 213 HG23 -0.79 -0.04 0.09 -0.04 0.95 0.17 2g96A1 ASN 214 H -0.29 0.37 -0.09 -0.55 8.53 7.97 2g96A1 ASN 214 HA -0.43 0.24 0.91 -0.75 4.76 4.73 2g96A1 ASN 214 HB2 -0.52 -0.05 -0.09 -0.04 2.88 2.18 2g96A1 ASN 214 HB3 -0.57 -0.04 0.07 -0.04 2.79 2.20 2g96A1 ASN 214 HD21 -0.22 -0.01 -0.11 -0.04 7.03 6.65 2g96A1 ASN 214 HD22 -0.28 0.18 -0.30 -0.04 7.74 7.30 2g96A1 PHE 215 H -0.28 0.37 0.13 -0.55 8.34 8.01 2g96A1 PHE 215 HA -0.26 0.16 0.82 -0.75 4.62 4.58 2g96A1 PHE 215 HB2 -0.80 -0.04 0.01 -0.04 3.15 2.29 2g96A1 PHE 215 HB3 -0.18 -0.05 0.24 -0.04 3.06 3.02 2g96A1 PHE 215 HD2 -0.44 -0.05 -0.06 -0.04 7.28 6.69 2g96A1 PHE 215 HE2 -0.08 0.12 -0.01 -0.04 7.38 7.36 2g96A1 PHE 215 HZ -0.06 -0.10 -0.12 -0.04 7.32 7.00 2g96A1 LYS 216 H -0.27 0.67 0.29 -0.55 8.42 8.55 2g96A1 LYS 216 HA -0.05 0.20 0.83 -0.75 4.32 4.54 2g96A1 LYS 216 HB2 -1.01 -0.02 0.01 -0.04 1.87 0.81 2g96A1 LYS 216 HB3 -0.04 -0.05 0.19 -0.04 1.79 1.84 2g96A1 LYS 216 HG2 0.03 0.21 0.02 -0.04 1.46 1.68 2g96A1 LYS 216 HG3 -0.15 -0.03 -0.17 -0.04 1.46 1.08 2g96A1 LYS 216 HD2 -0.03 -0.09 -0.04 -0.04 1.69 1.49 2g96A1 LYS 216 HD3 0.25 0.03 0.02 -0.04 1.68 1.94 2g96A1 LYS 216 HE2 0.10 -0.06 -0.02 -0.04 2.99 2.96 2g96A1 LYS 216 HE3 0.12 0.10 -0.00 -0.04 2.99 3.17 2g96A1 GLY 217 H 0.00 0.19 -0.01 -0.55 8.43 8.07 2g96A1 GLY 217 HA2 0.09 0.24 0.86 -0.51 4.01 4.69 2g96A1 GLY 217 HA3 0.04 -0.00 0.32 -0.51 4.01 3.86 2g96A1 THR 218 H -0.15 0.72 0.24 -0.55 8.28 8.55 2g96A1 THR 218 HA -0.39 -0.05 0.98 -0.75 4.39 4.19 2g96A1 THR 218 HB -0.03 0.08 -0.30 -0.04 4.32 4.02 2g96A1 THR 218 HG23 -0.05 0.01 -0.30 -0.04 1.22 0.84 2g96A1 ASP 219 H 0.09 0.18 0.27 -0.55 8.40 8.40 2g96A1 ASP 219 HA 0.23 0.25 0.79 -0.75 4.63 5.14 2g96A1 ASP 219 HB2 0.63 0.08 -0.01 -0.04 2.71 3.37 2g96A1 ASP 219 HB3 0.21 -0.10 -0.00 -0.04 2.70 2.76 2g96A1 THR 220 H 0.04 -0.01 0.10 -0.55 8.28 7.86 2g96A1 THR 220 HA 0.14 0.08 0.53 -0.75 4.39 4.39 2g96A1 THR 220 HB -0.12 0.05 0.14 -0.04 4.32 4.35 2g96A1 THR 220 HG23 -0.67 -0.02 -0.06 -0.04 1.22 0.43 2g96A1 VAL 221 H 0.13 0.40 0.10 -0.55 8.24 8.32 2g96A1 VAL 221 HA -0.02 0.12 0.11 -0.75 4.13 3.59 2g96A1 VAL 221 HB 0.03 -0.00 -0.03 -0.04 2.12 2.09 2g96A1 VAL 221 HG13 0.06 0.07 -0.02 -0.04 0.97 1.03 2g96A1 VAL 221 HG23 0.21 0.00 0.03 -0.04 0.95 1.15 2g96A1 ALA 222 H -0.36 0.02 -0.49 -0.55 8.40 7.02 2g96A1 ALA 222 HA -0.09 0.03 0.27 -0.75 4.34 3.80 2g96A1 ALA 222 HB3 -0.41 0.01 -0.19 -0.04 1.41 0.78 2g96A1 GLY 223 H -0.20 0.23 -0.13 -0.55 8.43 7.78 2g96A1 GLY 223 HA2 -0.15 0.26 0.44 -0.51 4.01 4.04 2g96A1 GLY 223 HA3 -0.15 0.01 0.13 -0.51 4.01 3.49 2g96A1 ILE 224 H -0.11 0.47 -0.48 -0.55 8.25 7.58 2g96A1 ILE 224 HA -0.15 0.05 0.45 -0.75 4.18 3.77 2g96A1 ILE 224 HB -0.06 0.14 0.15 -0.04 1.89 2.08 2g96A1 ILE 224 HG12 -0.13 -0.09 -0.01 -0.04 1.49 1.23 2g96A1 ILE 224 HG13 -0.09 -0.04 -0.09 -0.04 1.21 0.95 2g96A1 ILE 224 HG23 -0.08 -0.00 -0.08 -0.04 0.93 0.73 2g96A1 ILE 224 HD13 -0.09 0.02 -0.09 -0.04 0.88 0.68 2g96A1 ALA 225 H -0.05 0.31 0.03 -0.55 8.40 8.14 2g96A1 ALA 225 HA -0.01 0.05 0.38 -0.75 4.34 4.01 2g96A1 ALA 225 HB3 0.02 0.00 0.11 -0.04 1.41 1.49 2g96A1 LEU 226 H -0.00 0.28 -0.10 -0.55 8.37 8.00 2g96A1 LEU 226 HA 0.27 -0.00 0.26 -0.75 4.35 4.12 2g96A1 LEU 226 HB2 -0.06 -0.08 -0.05 -0.04 1.64 1.41 2g96A1 LEU 226 HB3 -0.10 0.19 -0.04 -0.04 1.64 1.64 2g96A1 LEU 226 HG -0.11 -0.02 -0.02 -0.04 1.64 1.46 2g96A1 LEU 226 HD13 -0.60 -0.02 -0.31 -0.04 0.93 -0.05 2g96A1 LEU 226 HD23 -0.16 0.01 -0.20 -0.04 0.89 0.51 2g96A1 ILE 227 H -0.11 0.46 -0.48 -0.55 8.25 7.57 2g96A1 ILE 227 HA -0.06 -0.04 0.46 -0.75 4.18 3.79 2g96A1 ILE 227 HB -0.31 0.13 0.27 -0.04 1.89 1.94 2g96A1 ILE 227 HG12 -1.12 -0.06 0.03 -0.04 1.49 0.30 2g96A1 ILE 227 HG13 -0.41 0.13 0.13 -0.04 1.21 1.02 2g96A1 ILE 227 HG23 -0.56 -0.03 -0.16 -0.04 0.93 0.15 2g96A1 ILE 227 HD13 -0.90 -0.00 -0.03 -0.04 0.88 -0.09 2g96A1 LYS 228 H -0.05 0.71 0.22 -0.55 8.42 8.75 2g96A1 LYS 228 HA 0.02 -0.14 0.47 -0.75 4.32 3.91 2g96A1 LYS 228 HB2 -0.02 0.04 0.22 -0.04 1.87 2.07 2g96A1 LYS 228 HB3 -0.01 -0.01 0.07 -0.04 1.79 1.79 2g96A1 LYS 228 HG2 -0.01 -0.02 0.13 -0.04 1.46 1.51 2g96A1 LYS 228 HG3 -0.05 0.06 0.14 -0.04 1.46 1.56 2g96A1 LYS 228 HD2 -0.03 -0.02 0.06 -0.04 1.69 1.65 2g96A1 LYS 228 HD3 -0.03 -0.03 0.00 -0.04 1.68 1.58 2g96A1 LYS 228 HE2 -0.01 -0.00 0.03 -0.04 2.99 2.96 2g96A1 LYS 228 HE3 -0.00 0.05 0.06 -0.04 2.99 3.06 2g96A1 LYS 229 H 0.04 0.93 -0.09 -0.55 8.42 8.76 2g96A1 LYS 229 HA -0.09 0.03 0.38 -0.75 4.32 3.89 2g96A1 LYS 229 HB2 -0.01 -0.08 -0.03 -0.04 1.87 1.70 2g96A1 LYS 229 HB3 0.14 -0.01 -0.10 -0.04 1.79 1.78 2g96A1 LYS 229 HG2 -1.01 0.04 -0.31 -0.04 1.46 0.14 2g96A1 LYS 229 HG3 -0.29 -0.00 0.01 -0.04 1.46 1.13 2g96A1 LYS 229 HD2 -0.01 -0.04 -0.06 -0.04 1.69 1.54 2g96A1 LYS 229 HD3 0.27 -0.06 -0.10 -0.04 1.68 1.75 2g96A1 LYS 229 HE2 -0.39 0.03 -0.07 -0.04 2.99 2.52 2g96A1 LYS 229 HE3 -0.15 0.01 -0.04 -0.04 2.99 2.77 2g96A1 TYR 230 H 0.26 0.53 -0.05 -0.55 8.29 8.47 2g96A1 TYR 230 HA -0.03 0.21 1.03 -0.75 4.56 5.02 2g96A1 TYR 230 HB2 0.25 0.16 0.14 -0.04 3.06 3.57 2g96A1 TYR 230 HB3 -0.04 -0.12 0.02 -0.04 2.98 2.80 2g96A1 TYR 230 HD2 0.03 0.03 0.05 -0.04 7.15 7.22 2g96A1 TYR 230 HE2 -0.08 -0.04 -0.08 -0.04 6.85 6.61 2g96A1 TYR 231 H 0.31 0.62 0.27 -0.55 8.29 8.93 2g96A1 TYR 231 HA 0.16 0.21 1.09 -0.75 4.56 5.26 2g96A1 TYR 231 HB2 0.11 0.02 0.15 -0.04 3.06 3.30 2g96A1 TYR 231 HB3 0.31 -0.10 0.04 -0.04 2.98 3.19 2g96A1 TYR 231 HD2 0.25 0.12 -0.07 -0.04 7.15 7.41 2g96A1 TYR 231 HE2 0.14 -0.06 -0.01 -0.04 6.85 6.88 2g96A1 GLY 232 H 0.14 0.54 0.21 -0.55 8.43 8.77 2g96A1 GLY 232 HA2 0.06 0.08 0.48 -0.51 4.01 4.12 2g96A1 GLY 232 HA3 0.08 0.08 0.45 -0.51 4.01 4.11 2g96A1 THR 233 H 0.06 0.36 0.14 -0.55 8.28 8.29 2g96A1 THR 233 HA 0.14 -0.04 0.73 -0.75 4.39 4.47 2g96A1 THR 233 HB 0.06 -0.06 -0.09 -0.04 4.32 4.18 2g96A1 THR 233 HG23 0.06 -0.01 -0.37 -0.04 1.22 0.86 2g96A1 LYS 234 H 0.07 0.06 0.11 -0.55 8.42 8.11 2g96A1 LYS 234 HA 0.04 0.10 0.51 -0.75 4.32 4.22 2g96A1 LYS 234 HB2 0.05 -0.05 0.13 -0.04 1.87 1.96 2g96A1 LYS 234 HB3 0.04 0.05 0.02 -0.04 1.79 1.85 2g96A1 LYS 234 HG2 0.03 0.02 0.02 -0.04 1.46 1.50 2g96A1 LYS 234 HG3 0.03 0.04 0.01 -0.04 1.46 1.51 2g96A1 LYS 234 HD2 0.07 -0.22 0.03 -0.04 1.69 1.53 2g96A1 LYS 234 HD3 0.05 -0.01 0.02 -0.04 1.68 1.71 2g96A1 LYS 234 HE2 0.06 0.02 -0.08 -0.04 2.99 2.96 2g96A1 LYS 234 HE3 0.04 0.03 -0.03 -0.04 2.99 2.98 2g96A1 ASP 235 H 0.07 -0.09 -0.08 -0.55 8.40 7.75 2g96A1 ASP 235 HA 0.07 0.06 0.31 -0.75 4.63 4.32 2g96A1 ASP 235 HB2 0.11 0.11 -0.22 -0.04 2.71 2.67 2g96A1 ASP 235 HB3 0.12 0.09 0.03 -0.04 2.70 2.89 2g96A1 PRO 236 HA 0.05 0.03 0.55 -0.51 4.44 4.56 2g96A1 PRO 236 HB2 0.12 0.01 0.12 -0.04 2.28 2.48 2g96A1 PRO 236 HB3 0.08 -0.02 0.12 -0.04 2.02 2.16 2g96A1 PRO 236 HG2 0.31 0.11 0.18 -0.04 2.03 2.59 2g96A1 PRO 236 HG3 0.14 -0.01 0.11 -0.04 2.03 2.22 2g96A1 PRO 236 HD2 0.15 0.08 0.15 -0.04 3.68 4.02 2g96A1 PRO 236 HD3 0.09 0.07 0.17 -0.04 3.65 3.94 2g96A1 VAL 237 H 0.00 0.20 0.11 -0.55 8.24 8.01 2g96A1 VAL 237 HA -0.08 -0.06 0.35 -0.75 4.13 3.58 2g96A1 VAL 237 HB -0.36 0.32 0.20 -0.04 2.12 2.23 2g96A1 VAL 237 HG13 -0.21 -0.04 -0.02 -0.04 0.97 0.65 2g96A1 VAL 237 HG23 -0.05 -0.06 -0.19 -0.04 0.95 0.61 2g96A1 PRO 238 HA 0.05 0.05 0.36 -0.51 4.44 4.38 2g96A1 PRO 238 HB2 -0.06 0.09 0.00 -0.04 2.28 2.27 2g96A1 PRO 238 HB3 -0.09 -0.03 0.04 -0.04 2.02 1.90 2g96A1 PRO 238 HG2 -0.14 -0.12 0.11 -0.04 2.03 1.83 2g96A1 PRO 238 HG3 -0.19 0.03 0.12 -0.04 2.03 1.95 2g96A1 PRO 238 HD2 -0.12 0.07 0.20 -0.04 3.68 3.78 2g96A1 PRO 238 HD3 -0.09 0.07 0.15 -0.04 3.65 3.74 2g96A1 GLY 239 H -0.15 -0.04 -0.01 -0.55 8.43 7.69 2g96A1 GLY 239 HA2 0.07 0.25 0.92 -0.51 4.01 4.75 2g96A1 GLY 239 HA3 -0.03 -0.11 0.23 -0.51 4.01 3.59 2g96A1 TYR 240 H 0.29 0.70 0.40 -0.55 8.29 9.13 2g96A1 TYR 240 HA 0.09 0.14 0.87 -0.75 4.56 4.90 2g96A1 TYR 240 HB2 0.24 -0.00 0.03 -0.04 3.06 3.29 2g96A1 TYR 240 HB3 0.11 -0.03 0.17 -0.04 2.98 3.19 2g96A1 TYR 240 HD2 0.13 -0.03 -0.03 -0.04 7.15 7.18 2g96A1 TYR 240 HE2 0.08 0.01 -0.02 -0.04 6.85 6.87 2g96A1 SER 241 H 0.25 0.33 0.24 -0.55 8.46 8.74 2g96A1 SER 241 HA 0.38 0.07 0.56 -0.75 4.49 4.75 2g96A1 SER 241 HB2 0.21 0.34 0.00 -0.04 3.95 4.47 2g96A1 SER 241 HB3 0.13 -0.07 -0.06 -0.04 3.93 3.89 2g96A1 VAL 242 H 0.09 0.17 0.12 -0.55 8.24 8.06 2g96A1 VAL 242 HA 0.03 0.23 0.95 -0.75 4.13 4.58 2g96A1 VAL 242 HB -0.03 0.34 0.05 -0.04 2.12 2.43 2g96A1 VAL 242 HG13 0.03 -0.02 -0.21 -0.04 0.97 0.73 2g96A1 VAL 242 HG23 -0.07 -0.02 -0.26 -0.04 0.95 0.56 2g96A1 PRO 243 HA -0.20 -0.07 0.48 -0.51 4.44 4.13 2g96A1 PRO 243 HB2 -1.33 0.01 0.01 -0.04 2.28 0.93 2g96A1 PRO 243 HB3 -0.24 -0.04 0.11 -0.04 2.02 1.82 2g96A1 PRO 243 HG2 -0.24 0.21 0.17 -0.04 2.03 2.13 2g96A1 PRO 243 HG3 0.09 -0.01 0.06 -0.04 2.03 2.13 2g96A1 PRO 243 HD2 -0.03 0.28 0.28 -0.04 3.68 4.17 2g96A1 PRO 243 HD3 0.01 0.05 0.20 -0.04 3.65 3.87 2g96A1 ALA 244 H -0.23 0.17 0.29 -0.55 8.40 8.08 2g96A1 ALA 244 HA -0.23 0.29 0.86 -0.75 4.34 4.51 2g96A1 ALA 244 HB3 -0.18 -0.01 -0.02 -0.04 1.41 1.16 2g96A1 ALA 245 H -0.12 0.55 0.30 -0.55 8.40 8.58 2g96A1 ALA 245 HA -0.04 0.10 0.72 -0.75 4.34 4.36 2g96A1 ALA 245 HB3 0.02 -0.01 0.10 -0.04 1.41 1.47 2g96A1 GLU 246 H -0.01 0.13 0.21 -0.55 8.60 8.38 2g96A1 GLU 246 HA -0.19 0.25 0.83 -0.75 4.29 4.42 2g96A1 GLU 246 HB2 -0.06 0.03 0.14 -0.04 2.09 2.16 2g96A1 GLU 246 HB3 -0.06 0.16 -0.02 -0.04 1.99 2.02 2g96A1 GLU 246 HG2 0.02 -0.13 -0.02 -0.04 2.34 2.17 2g96A1 GLU 246 HG3 0.03 -0.46 -0.10 -0.04 2.34 1.77 2g96A1 HIS 247 H -0.10 0.21 0.13 -0.55 8.41 8.11 2g96A1 HIS 247 HA -0.01 0.10 0.34 -0.75 4.63 4.31 2g96A1 HIS 247 HB2 -0.02 0.01 0.11 -0.04 3.26 3.32 2g96A1 HIS 247 HB3 -0.04 0.06 0.04 -0.04 3.20 3.21 2g96A1 HIS 247 HD2 -0.09 -0.02 -0.06 -0.04 6.97 6.75 2g96A1 HIS 247 HE1 -0.04 0.06 -0.04 -0.04 7.75 7.69 2g96A1 SER 248 H 0.07 0.10 -0.19 -0.55 8.46 7.89 2g96A1 SER 248 HA 0.08 0.11 0.49 -0.75 4.49 4.43 2g96A1 SER 248 HB2 0.05 0.07 0.06 -0.04 3.95 4.08 2g96A1 SER 248 HB3 0.05 0.00 0.08 -0.04 3.93 4.02 2g96A1 THR 249 H 0.08 0.09 -0.20 -0.55 8.28 7.70 2g96A1 THR 249 HA 0.21 0.14 0.43 -0.75 4.39 4.42 2g96A1 THR 249 HB 0.23 0.11 0.19 -0.04 4.32 4.81 2g96A1 THR 249 HG23 0.09 0.00 0.04 -0.04 1.22 1.31 2g96A1 ILE 250 H 0.17 0.00 -0.87 -0.55 8.25 7.00 2g96A1 ILE 250 HA 0.15 0.21 0.84 -0.75 4.18 4.63 2g96A1 ILE 250 HB 0.07 -0.01 -0.02 -0.04 1.89 1.89 2g96A1 ILE 250 HG12 0.11 -0.06 -0.53 -0.04 1.49 0.96 2g96A1 ILE 250 HG13 0.14 0.04 -0.17 -0.04 1.21 1.19 2g96A1 ILE 250 HG23 -0.03 0.01 -0.06 -0.04 0.93 0.81 2g96A1 ILE 250 HD13 0.15 0.06 -0.08 -0.04 0.88 0.97 2g96A1 THR 251 H 0.15 0.41 0.16 -0.55 8.28 8.45 2g96A1 THR 251 HA 0.28 0.12 0.39 -0.75 4.39 4.43 2g96A1 THR 251 HB 0.14 -0.04 0.07 -0.04 4.32 4.45 2g96A1 THR 251 HG23 -0.04 0.01 0.04 -0.04 1.22 1.20 2g96A1 ALA 252 H 0.23 0.26 -0.24 -0.55 8.40 8.10 2g96A1 ALA 252 HA 0.05 0.06 0.47 -0.75 4.34 4.16 2g96A1 ALA 252 HB3 -0.01 0.02 0.05 -0.04 1.41 1.43 2g96A1 TRP 253 H 0.51 0.28 -0.58 -0.55 7.97 7.63 2g96A1 TRP 253 HA -0.00 0.11 0.54 -0.75 4.62 4.51 2g96A1 TRP 253 HB2 0.03 0.18 -0.06 -0.04 3.23 3.34 2g96A1 TRP 253 HB3 0.02 -0.06 0.16 -0.04 3.23 3.30 2g96A1 TRP 253 HD1 0.03 -0.16 -0.30 -0.04 7.22 6.74 2g96A1 TRP 253 HE1 0.05 0.12 -0.04 -0.04 10.20 10.30 2g96A1 TRP 253 HE3 -0.13 -0.04 -0.01 -0.04 7.59 7.37 2g96A1 TRP 253 HZ2 -0.13 0.02 -0.03 -0.04 7.44 7.26 2g96A1 TRP 253 HZ3 -0.17 -0.01 -0.07 -0.04 7.13 6.84 2g96A1 TRP 253 HH2 -0.82 0.02 -0.05 -0.04 7.19 6.31 2g96A1 GLY 254 H 0.17 0.25 -0.78 -0.55 8.43 7.52 2g96A1 GLY 254 HA2 0.08 0.06 0.32 -0.51 4.01 3.96 2g96A1 GLY 254 HA3 0.12 0.06 0.47 -0.51 4.01 4.14 2g96A1 LYS 255 H -0.04 0.15 0.13 -0.55 8.42 8.10 2g96A1 LYS 255 HA -0.48 0.10 0.31 -0.75 4.32 3.49 2g96A1 LYS 255 HB2 -0.22 0.03 0.12 -0.04 1.87 1.75 2g96A1 LYS 255 HB3 -0.21 -0.01 0.10 -0.04 1.79 1.63 2g96A1 LYS 255 HG2 -0.45 0.01 -0.17 -0.04 1.46 0.81 2g96A1 LYS 255 HG3 -1.32 -0.01 0.04 -0.04 1.46 0.13 2g96A1 LYS 255 HD2 -0.18 0.01 0.01 -0.04 1.69 1.50 2g96A1 LYS 255 HD3 -0.16 0.01 0.00 -0.04 1.68 1.49 2g96A1 LYS 255 HE2 -0.08 0.01 -0.00 -0.04 2.99 2.88 2g96A1 LYS 255 HE3 -0.15 0.01 -0.03 -0.04 2.99 2.79 2g96A1 ASP 256 H -0.16 0.06 -0.22 -0.55 8.40 7.53 2g96A1 ASP 256 HA -0.22 0.16 0.68 -0.75 4.63 4.50 2g96A1 ASP 256 HB2 -0.36 0.04 0.02 -0.04 2.71 2.38 2g96A1 ASP 256 HB3 -0.24 0.03 0.07 -0.04 2.70 2.52 2g96A1 HIS 257 H -0.03 0.28 -0.25 -0.55 8.41 7.87 2g96A1 HIS 257 HA -0.04 0.07 0.67 -0.75 4.63 4.57 2g96A1 HIS 257 HB2 0.18 0.86 0.28 -0.04 3.26 4.55 2g96A1 HIS 257 HB3 0.19 -0.16 0.25 -0.04 3.20 3.44 2g96A1 HIS 257 HD2 0.05 0.09 0.04 -0.04 6.97 7.10 2g96A1 HIS 257 HE1 0.02 0.01 -0.02 -0.04 7.75 7.72 2g96A1 GLU 258 H -0.15 0.28 -0.76 -0.55 8.60 7.43 2g96A1 GLU 258 HA -0.23 0.15 0.35 -0.75 4.29 3.81 2g96A1 GLU 258 HB2 -0.12 0.18 0.01 -0.04 2.09 2.12 2g96A1 GLU 258 HB3 -0.32 -0.03 0.01 -0.04 1.99 1.60 2g96A1 GLU 258 HG2 -1.08 -0.03 -0.07 -0.04 2.34 1.12 2g96A1 GLU 258 HG3 -0.20 0.01 -0.02 -0.04 2.34 2.09 2g96A1 LYS 259 H -0.25 0.19 -0.14 -0.55 8.42 7.66 2g96A1 LYS 259 HA -0.47 0.06 0.37 -0.75 4.32 3.52 2g96A1 LYS 259 HB2 -0.19 -0.00 0.09 -0.04 1.87 1.73 2g96A1 LYS 259 HB3 -0.13 0.01 0.08 -0.04 1.79 1.71 2g96A1 LYS 259 HG2 -0.10 0.04 -0.31 -0.04 1.46 1.05 2g96A1 LYS 259 HG3 -0.12 0.00 0.03 -0.04 1.46 1.33 2g96A1 LYS 259 HD2 -0.05 -0.01 0.01 -0.04 1.69 1.59 2g96A1 LYS 259 HD3 -0.04 0.00 -0.03 -0.04 1.68 1.57 2g96A1 LYS 259 HE2 0.01 0.01 -0.09 -0.04 2.99 2.88 2g96A1 LYS 259 HE3 0.02 0.00 -0.09 -0.04 2.99 2.88 2g96A1 ASP 260 H -0.14 0.07 -0.32 -0.55 8.40 7.45 2g96A1 ASP 260 HA -0.16 0.05 0.31 -0.75 4.63 4.08 2g96A1 ASP 260 HB2 -0.05 0.16 0.12 -0.04 2.71 2.89 2g96A1 ASP 260 HB3 0.00 0.01 0.02 -0.04 2.70 2.69 2g96A1 ALA 261 H -0.71 0.43 -0.21 -0.55 8.40 7.36 2g96A1 ALA 261 HA -2.30 0.01 0.36 -0.75 4.34 1.66 2g96A1 ALA 261 HB3 -0.78 0.07 0.21 -0.04 1.41 0.87 2g96A1 PHE 262 H -0.47 0.51 0.00 -0.55 8.34 7.83 2g96A1 PHE 262 HA -0.07 -0.00 0.33 -0.75 4.62 4.13 2g96A1 PHE 262 HB2 -0.60 0.04 0.17 -0.04 3.15 2.72 2g96A1 PHE 262 HB3 -0.97 0.03 -0.04 -0.04 3.06 2.04 2g96A1 PHE 262 HD2 -0.87 -0.03 -0.06 -0.04 7.28 6.28 2g96A1 PHE 262 HE2 -0.38 -0.01 -0.00 -0.04 7.38 6.95 2g96A1 PHE 262 HZ -0.03 -0.10 0.07 -0.04 7.32 7.21 2g96A1 GLU 263 H -0.11 0.56 -0.08 -0.55 8.60 8.42 2g96A1 GLU 263 HA 0.05 -0.00 0.34 -0.75 4.29 3.92 2g96A1 GLU 263 HB2 -0.04 -0.06 0.10 -0.04 2.09 2.05 2g96A1 GLU 263 HB3 -0.08 0.12 0.10 -0.04 1.99 2.09 2g96A1 GLU 263 HG2 0.02 0.01 -0.16 -0.04 2.34 2.17 2g96A1 GLU 263 HG3 0.01 -0.01 0.07 -0.04 2.34 2.36 2g96A1 HIS 264 H -0.15 0.52 -0.37 -0.55 8.41 7.87 2g96A1 HIS 264 HA 0.00 0.05 0.63 -0.75 4.63 4.56 2g96A1 HIS 264 HB2 -0.21 -0.02 0.06 -0.04 3.26 3.06 2g96A1 HIS 264 HB3 -0.34 0.11 0.17 -0.04 3.20 3.10 2g96A1 HIS 264 HD2 0.47 0.00 -0.11 -0.04 6.97 7.28 2g96A1 HIS 264 HE1 0.13 -0.02 -0.00 -0.04 7.75 7.81 2g96A1 ILE 265 H 0.07 0.62 0.11 -0.55 8.25 8.50 2g96A1 ILE 265 HA 0.16 0.04 0.56 -0.75 4.18 4.18 2g96A1 ILE 265 HB 0.18 0.09 0.08 -0.04 1.89 2.19 2g96A1 ILE 265 HG12 0.32 -0.06 0.01 -0.04 1.49 1.71 2g96A1 ILE 265 HG13 0.17 0.18 0.11 -0.04 1.21 1.63 2g96A1 ILE 265 HG23 0.20 -0.02 -0.09 -0.04 0.93 0.98 2g96A1 ILE 265 HD13 0.18 0.00 -0.02 -0.04 0.88 1.00 2g96A1 VAL 266 H 0.13 0.55 -0.04 -0.55 8.24 8.33 2g96A1 VAL 266 HA 0.12 0.17 0.37 -0.75 4.13 4.05 2g96A1 VAL 266 HB 0.09 0.11 -0.04 -0.04 2.12 2.23 2g96A1 VAL 266 HG13 0.33 0.03 -0.10 -0.04 0.97 1.19 2g96A1 VAL 266 HG23 0.13 0.02 -0.08 -0.04 0.95 0.98 2g96A1 THR 267 H 0.01 0.21 -0.42 -0.55 8.28 7.53 2g96A1 THR 267 HA -0.01 0.12 0.52 -0.75 4.39 4.27 2g96A1 THR 267 HB -0.05 0.10 0.10 -0.04 4.32 4.43 2g96A1 THR 267 HG23 -0.02 -0.03 -0.01 -0.04 1.22 1.12 2g96A1 GLN 268 H -0.11 0.18 -0.33 -0.55 8.47 7.65 2g96A1 GLN 268 HA -0.32 0.01 0.49 -0.75 4.36 3.79 2g96A1 GLN 268 HB2 -0.18 0.02 0.23 -0.04 2.15 2.18 2g96A1 GLN 268 HB3 -0.92 -0.07 0.00 -0.04 2.02 0.99 2g96A1 GLN 268 HG2 -0.75 0.47 0.17 -0.04 2.40 2.24 2g96A1 GLN 268 HG3 -0.37 -0.13 0.01 -0.04 2.39 1.85 2g96A1 GLN 268 HE21 -0.09 -0.06 0.01 -0.04 6.97 6.78 2g96A1 GLN 268 HE22 -0.30 0.06 0.00 -0.04 7.69 7.41 2g96A1 PHE 269 H 0.08 0.33 -0.53 -0.55 8.34 7.67 2g96A1 PHE 269 HA -0.02 0.06 0.85 -0.75 4.62 4.75 2g96A1 PHE 269 HB2 -0.02 0.10 0.05 -0.04 3.15 3.23 2g96A1 PHE 269 HB3 -0.02 0.05 -0.01 -0.04 3.06 3.05 2g96A1 PHE 269 HD2 -0.01 0.27 0.03 -0.04 7.28 7.53 2g96A1 PHE 269 HE2 0.02 -0.06 -0.03 -0.04 7.38 7.27 2g96A1 PHE 269 HZ 0.02 -0.07 -0.04 -0.04 7.32 7.19 2g96A1 SER 270 H -0.02 0.16 -0.48 -0.55 8.46 7.57 2g96A1 SER 270 HA 0.02 0.18 0.52 -0.75 4.49 4.46 2g96A1 SER 270 HB2 -0.00 -0.05 0.06 -0.04 3.95 3.92 2g96A1 SER 270 HB3 -0.01 -0.01 0.20 -0.04 3.93 4.07 2g96A1 SER 271 H -0.00 -0.03 -0.21 -0.55 8.46 7.68 2g96A1 SER 271 HA 0.01 -0.01 0.36 -0.75 4.49 4.09 2g96A1 SER 271 HB2 0.02 -0.01 -0.00 -0.04 3.95 3.92 2g96A1 SER 271 HB3 -0.01 -0.04 0.08 -0.04 3.93 3.92 2g96A1 VAL 272 H 0.08 -0.03 -0.11 -0.55 8.24 7.63 2g96A1 VAL 272 HA 0.02 0.16 0.74 -0.75 4.13 4.30 2g96A1 VAL 272 HB 0.04 0.07 0.20 -0.04 2.12 2.39 2g96A1 VAL 272 HG13 0.05 -0.05 -0.01 -0.04 0.97 0.92 2g96A1 VAL 272 HG23 0.14 0.00 -0.07 -0.04 0.95 0.99 2g96A1 PRO 273 HA -0.03 0.29 0.40 -0.51 4.44 4.59 2g96A1 PRO 273 HB2 -0.06 -0.04 -0.08 -0.04 2.28 2.06 2g96A1 PRO 273 HB3 -0.04 0.04 0.02 -0.04 2.02 1.99 2g96A1 PRO 273 HG2 -0.03 -0.09 0.12 -0.04 2.03 1.99 2g96A1 PRO 273 HG3 -0.04 0.02 0.06 -0.04 2.03 2.03 2g96A1 PRO 273 HD2 0.00 -0.04 0.29 -0.04 3.68 3.89 2g96A1 PRO 273 HD3 -0.02 0.40 0.37 -0.04 3.65 4.37 2g96A1 VAL 274 H -0.08 0.57 0.28 -0.55 8.24 8.46 2g96A1 VAL 274 HA -0.16 0.40 0.96 -0.75 4.13 4.58 2g96A1 VAL 274 HB 0.02 0.15 -0.16 -0.04 2.12 2.08 2g96A1 VAL 274 HG13 -0.03 -0.02 -0.08 -0.04 0.97 0.79 2g96A1 VAL 274 HG23 -0.25 -0.00 -0.16 -0.04 0.95 0.49 2g96A1 SER 275 H -0.19 0.45 0.36 -0.55 8.46 8.54 2g96A1 SER 275 HA -0.20 0.34 0.91 -0.75 4.49 4.79 2g96A1 SER 275 HB2 -0.14 0.05 -0.06 -0.04 3.95 3.75 2g96A1 SER 275 HB3 -0.16 -0.11 0.08 -0.04 3.93 3.69 2g96A1 VAL 276 H -0.21 0.51 0.11 -0.55 8.24 8.10 2g96A1 VAL 276 HA -0.07 -0.04 0.84 -0.75 4.13 4.11 2g96A1 VAL 276 HB -0.10 -0.01 -0.02 -0.04 2.12 1.94 2g96A1 VAL 276 HG13 0.16 0.01 -0.17 -0.04 0.97 0.93 2g96A1 VAL 276 HG23 -0.01 0.03 -0.45 -0.04 0.95 0.48 2g96A1 VAL 277 H -0.10 0.16 -0.02 -0.55 8.24 7.73 2g96A1 VAL 277 HA -0.08 0.40 0.50 -0.75 4.13 4.19 2g96A1 VAL 277 HB -0.22 -0.18 -0.15 -0.04 2.12 1.52 2g96A1 VAL 277 HG13 -0.30 0.03 -0.05 -0.04 0.97 0.61 2g96A1 VAL 277 HG23 -0.29 0.02 -0.30 -0.04 0.95 0.34 2g96A1 SER 278 H 0.02 0.38 0.22 -0.55 8.46 8.54 2g96A1 SER 278 HA 0.39 0.24 0.94 -0.75 4.49 5.30 2g96A1 SER 278 HB2 0.12 -0.05 -0.01 -0.04 3.95 3.97 2g96A1 SER 278 HB3 0.35 -0.05 0.15 -0.04 3.93 4.34 2g96A1 ASP 279 H 0.05 0.15 -0.04 -0.55 8.40 8.02 2g96A1 ASP 279 HA -0.02 0.18 0.65 -0.75 4.63 4.69 2g96A1 ASP 279 HB2 -0.04 -0.03 0.07 -0.04 2.71 2.66 2g96A1 ASP 279 HB3 -0.02 -0.14 0.07 -0.04 2.70 2.57 2g96A1 SER 280 H 0.01 0.13 -0.41 -0.55 8.46 7.65 2g96A1 SER 280 HA -0.14 0.01 0.25 -0.75 4.49 3.85 2g96A1 SER 280 HB2 -0.51 0.05 -0.09 -0.04 3.95 3.36 2g96A1 SER 280 HB3 -0.64 0.01 -0.05 -0.04 3.93 3.21 2g96A1 TYR 281 H -0.06 0.34 -0.41 -0.55 8.29 7.60 2g96A1 TYR 281 HA 0.01 0.12 0.59 -0.75 4.56 4.52 2g96A1 TYR 281 HB2 -0.02 0.01 -0.06 -0.04 3.06 2.95 2g96A1 TYR 281 HB3 -0.01 0.00 0.05 -0.04 2.98 2.98 2g96A1 TYR 281 HD2 -0.04 0.01 -0.04 -0.04 7.15 7.03 2g96A1 TYR 281 HE2 -0.02 0.03 -0.10 -0.04 6.85 6.72 2g96A1 ASP 282 H 0.10 0.17 0.05 -0.55 8.40 8.17 2g96A1 ASP 282 HA 0.04 -0.01 0.40 -0.75 4.63 4.31 2g96A1 ASP 282 HB2 0.09 0.08 0.08 -0.04 2.71 2.92 2g96A1 ASP 282 HB3 0.09 0.02 0.03 -0.04 2.70 2.80 2g96A1 ILE 283 H -0.15 0.11 0.07 -0.55 8.25 7.74 2g96A1 ILE 283 HA -0.03 0.57 0.46 -0.75 4.18 4.43 2g96A1 ILE 283 HB -0.19 -0.10 0.09 -0.04 1.89 1.65 2g96A1 ILE 283 HG12 -0.21 -0.06 -0.04 -0.04 1.49 1.14 2g96A1 ILE 283 HG13 -0.23 0.08 -0.25 -0.04 1.21 0.77 2g96A1 ILE 283 HG23 -1.05 0.01 0.05 -0.04 0.93 -0.10 2g96A1 ILE 283 HD13 -0.02 0.03 -0.22 -0.04 0.88 0.64 2g96A1 TYR 284 H -0.37 0.05 -0.17 -0.55 8.29 7.25 2g96A1 TYR 284 HA 0.07 0.11 0.32 -0.75 4.56 4.31 2g96A1 TYR 284 HB2 0.05 0.00 -0.03 -0.04 3.06 3.05 2g96A1 TYR 284 HB3 0.05 0.10 0.08 -0.04 2.98 3.17 2g96A1 TYR 284 HD2 0.03 0.04 -0.05 -0.04 7.15 7.13 2g96A1 TYR 284 HE2 0.02 0.03 0.01 -0.04 6.85 6.87 2g96A1 ASN 285 H 0.10 0.47 -0.65 -0.55 8.53 7.91 2g96A1 ASN 285 HA 0.11 0.14 0.69 -0.75 4.76 4.95 2g96A1 ASN 285 HB2 0.08 -0.05 0.03 -0.04 2.88 2.90 2g96A1 ASN 285 HB3 0.08 0.23 0.18 -0.04 2.79 3.24 2g96A1 ASN 285 HD21 0.01 0.02 -0.03 -0.04 7.03 6.99 2g96A1 ASN 285 HD22 0.04 0.00 -0.02 -0.04 7.74 7.72 2g96A1 ALA 286 H 0.11 0.49 0.18 -0.55 8.40 8.64 2g96A1 ALA 286 HA 0.05 -0.10 0.41 -0.75 4.34 3.94 2g96A1 ALA 286 HB3 0.32 0.06 0.18 -0.04 1.41 1.93 2g96A1 CYS 287 H 0.20 0.37 -0.36 -0.55 8.50 8.17 2g96A1 CYS 287 HA 0.43 0.08 0.35 -0.75 4.58 4.69 2g96A1 CYS 287 HB2 0.16 -0.04 0.04 -0.04 2.97 3.10 2g96A1 CYS 287 HB3 0.14 0.08 -0.09 -0.04 2.97 3.06 2g96A1 GLU 288 H 0.17 0.24 -0.15 -0.55 8.60 8.31 2g96A1 GLU 288 HA 0.18 0.16 0.36 -0.75 4.29 4.23 2g96A1 GLU 288 HB2 0.14 -0.02 0.13 -0.04 2.09 2.29 2g96A1 GLU 288 HB3 0.12 -0.00 0.19 -0.04 1.99 2.26 2g96A1 GLU 288 HG2 0.10 -0.02 -0.21 -0.04 2.34 2.17 2g96A1 GLU 288 HG3 0.11 0.09 0.02 -0.04 2.34 2.52 2g96A1 LYS 289 H 0.11 0.67 0.01 -0.55 8.42 8.66 2g96A1 LYS 289 HA 0.08 0.22 0.78 -0.75 4.32 4.64 2g96A1 LYS 289 HB2 0.05 0.01 0.03 -0.04 1.87 1.92 2g96A1 LYS 289 HB3 0.04 -0.06 0.08 -0.04 1.79 1.81 2g96A1 LYS 289 HG2 0.00 -0.05 -0.17 -0.04 1.46 1.20 2g96A1 LYS 289 HG3 0.03 0.03 -0.03 -0.04 1.46 1.45 2g96A1 LYS 289 HD2 0.01 -0.05 -0.03 -0.04 1.69 1.58 2g96A1 LYS 289 HD3 0.00 -0.00 -0.03 -0.04 1.68 1.61 2g96A1 LYS 289 HE2 0.02 0.03 -0.02 -0.04 2.99 2.98 2g96A1 LYS 289 HE3 0.04 0.03 -0.03 -0.04 2.99 2.98 2g96A1 ILE 290 H 0.03 0.22 0.02 -0.55 8.25 7.97 2g96A1 ILE 290 HA -0.05 -0.02 0.43 -0.75 4.18 3.80 2g96A1 ILE 290 HB -0.25 0.18 0.15 -0.04 1.89 1.93 2g96A1 ILE 290 HG12 -0.02 -0.00 -0.07 -0.04 1.49 1.36 2g96A1 ILE 290 HG13 -0.18 -0.00 0.01 -0.04 1.21 0.99 2g96A1 ILE 290 HG23 -0.35 -0.01 -0.00 -0.04 0.93 0.53 2g96A1 ILE 290 HD13 -0.10 -0.02 -0.06 -0.04 0.88 0.66 2g96A1 TRP 291 H 0.21 0.86 0.08 -0.55 7.97 8.57 2g96A1 TRP 291 HA 0.10 0.05 0.63 -0.75 4.62 4.64 2g96A1 TRP 291 HB2 0.03 0.16 0.13 -0.04 3.23 3.51 2g96A1 TRP 291 HB3 0.01 0.03 -0.03 -0.04 3.23 3.19 2g96A1 TRP 291 HD1 -0.07 -0.09 -0.47 -0.04 7.22 6.55 2g96A1 TRP 291 HE1 -0.63 -0.07 -0.11 -0.04 10.20 9.35 2g96A1 TRP 291 HE3 -0.04 0.05 -0.06 -0.04 7.59 7.50 2g96A1 TRP 291 HZ2 -1.39 0.00 -0.12 -0.04 7.44 5.89 2g96A1 TRP 291 HZ3 -0.09 0.05 -0.14 -0.04 7.13 6.90 2g96A1 TRP 291 HH2 -0.31 0.03 -0.10 -0.04 7.19 6.77 2g96A1 GLY 292 H 0.31 0.15 -0.34 -0.55 8.43 8.01 2g96A1 GLY 292 HA2 0.55 0.15 0.62 -0.51 4.01 4.82 2g96A1 GLY 292 HA3 0.35 0.11 0.31 -0.51 4.01 4.27 2g96A1 GLU 293 H 0.16 0.02 -0.42 -0.55 8.60 7.81 2g96A1 GLU 293 HA 0.07 0.21 0.84 -0.75 4.29 4.66 2g96A1 GLU 293 HB2 0.08 0.04 0.18 -0.04 2.09 2.35 2g96A1 GLU 293 HB3 0.05 -0.10 0.01 -0.04 1.99 1.91 2g96A1 GLU 293 HG2 0.05 -0.04 0.10 -0.04 2.34 2.41 2g96A1 GLU 293 HG3 0.08 0.24 -0.33 -0.04 2.34 2.29 2g96A1 ASP 294 H 0.07 0.56 0.22 -0.55 8.40 8.71 2g96A1 ASP 294 HA 0.07 0.09 0.54 -0.75 4.63 4.58 2g96A1 ASP 294 HB2 -0.00 0.03 0.33 -0.04 2.71 3.03 2g96A1 ASP 294 HB3 0.02 -0.03 0.09 -0.04 2.70 2.73 2g96A1 LEU 295 H 0.06 0.74 0.24 -0.55 8.37 8.86 2g96A1 LEU 295 HA -0.01 0.11 0.59 -0.75 4.35 4.29 2g96A1 LEU 295 HB2 0.12 0.15 0.15 -0.04 1.64 2.02 2g96A1 LEU 295 HB3 0.08 -0.04 0.19 -0.04 1.64 1.83 2g96A1 LEU 295 HG -0.03 -0.04 0.02 -0.04 1.64 1.55 2g96A1 LEU 295 HD13 -0.00 0.00 -0.06 -0.04 0.93 0.82 2g96A1 LEU 295 HD23 -0.16 -0.02 0.08 -0.04 0.89 0.75 2g96A1 ARG 296 H 0.16 0.14 -1.18 -0.55 8.46 7.03 2g96A1 ARG 296 HA 0.21 0.33 0.31 -0.75 4.34 4.43 2g96A1 ARG 296 HB2 0.09 -0.06 -0.69 -0.04 1.90 1.20 2g96A1 ARG 296 HB3 0.07 0.04 -0.16 -0.04 1.80 1.71 2g96A1 ARG 296 HG2 -0.14 -0.12 -0.13 -0.04 1.67 1.23 2g96A1 ARG 296 HG3 -0.33 0.06 0.05 -0.04 1.67 1.41 2g96A1 ARG 296 HD2 -0.05 0.14 0.04 -0.04 3.22 3.30 2g96A1 ARG 296 HD3 -0.08 -0.12 -0.02 -0.04 3.22 2.96 2g96A1 HIS 297 H 0.27 0.17 -0.41 -0.55 8.41 7.90 2g96A1 HIS 297 HA -0.04 0.12 0.51 -0.75 4.63 4.46 2g96A1 HIS 297 HB2 -0.01 -0.00 0.08 -0.04 3.26 3.29 2g96A1 HIS 297 HB3 -0.01 0.02 0.05 -0.04 3.20 3.22 2g96A1 HIS 297 HD2 0.01 -0.01 -0.12 -0.04 6.97 6.81 2g96A1 HIS 297 HE1 0.02 0.01 0.02 -0.04 7.75 7.75 2g96A1 LEU 298 H -0.27 0.55 -0.30 -0.55 8.37 7.81 2g96A1 LEU 298 HA -0.13 0.13 0.66 -0.75 4.35 4.25 2g96A1 LEU 298 HB2 -0.05 0.13 0.07 -0.04 1.64 1.75 2g96A1 LEU 298 HB3 -0.04 0.02 0.04 -0.04 1.64 1.61 2g96A1 LEU 298 HG -0.87 -0.09 -0.05 -0.04 1.64 0.58 2g96A1 LEU 298 HD13 -0.06 -0.01 0.02 -0.04 0.93 0.84 2g96A1 LEU 298 HD23 -0.09 0.02 -0.06 -0.04 0.89 0.72 2g96A1 ILE 299 H -0.03 0.24 -0.23 -0.55 8.25 7.68 2g96A1 ILE 299 HA -0.08 0.15 0.67 -0.75 4.18 4.17 2g96A1 ILE 299 HB 0.21 0.01 0.19 -0.04 1.89 2.26 2g96A1 ILE 299 HG12 0.22 0.11 0.08 -0.04 1.49 1.85 2g96A1 ILE 299 HG13 0.33 0.05 0.02 -0.04 1.21 1.57 2g96A1 ILE 299 HG23 0.04 -0.00 -0.05 -0.04 0.93 0.88 2g96A1 ILE 299 HD13 0.09 -0.04 -0.14 -0.04 0.88 0.75 2g96A1 VAL 300 H -0.24 0.30 0.09 -0.55 8.24 7.84 2g96A1 VAL 300 HA -1.97 0.06 0.27 -0.75 4.13 1.74 2g96A1 VAL 300 HB -0.16 -0.01 0.07 -0.04 2.12 1.97 2g96A1 VAL 300 HG13 0.01 -0.01 -0.00 -0.04 0.97 0.93 2g96A1 VAL 300 HG23 -0.15 0.03 0.12 -0.04 0.95 0.90 2g96A1 SER 301 H -0.17 0.05 -0.66 -0.55 8.46 7.13 2g96A1 SER 301 HA -0.05 -0.00 0.44 -0.75 4.49 4.13 2g96A1 SER 301 HB2 -0.02 -0.09 0.00 -0.04 3.95 3.81 2g96A1 SER 301 HB3 -0.03 0.02 0.07 -0.04 3.93 3.95 2g96A1 ARG 302 H -0.12 0.25 -0.23 -0.55 8.46 7.80 2g96A1 ARG 302 HA -0.01 -0.05 0.36 -0.75 4.34 3.89 2g96A1 ARG 302 HB2 -0.02 0.04 0.15 -0.04 1.90 2.03 2g96A1 ARG 302 HB3 -0.00 0.26 0.24 -0.04 1.80 2.25 2g96A1 ARG 302 HG2 -0.03 -0.08 0.18 -0.04 1.67 1.70 2g96A1 ARG 302 HG3 -0.08 0.19 0.36 -0.04 1.67 2.10 2g96A1 ARG 302 HD2 -0.05 -0.13 0.08 -0.04 3.22 3.08 2g96A1 ARG 302 HD3 -0.07 -0.12 0.19 -0.04 3.22 3.18 2g96A1 SER 303 H 0.02 0.28 0.18 -0.55 8.46 8.38 2g96A1 SER 303 HA 0.04 0.07 0.54 -0.75 4.49 4.39 2g96A1 SER 303 HB2 0.02 0.05 0.11 -0.04 3.95 4.09 2g96A1 SER 303 HB3 0.01 0.19 0.07 -0.04 3.93 4.16 2g96A1 THR 304 H 0.04 0.11 0.11 -0.55 8.28 7.99 2g96A1 THR 304 HA 0.04 0.24 0.19 -0.75 4.39 4.10 2g96A1 THR 304 HB -0.01 0.03 0.02 -0.04 4.32 4.32 2g96A1 THR 304 HG23 0.03 -0.00 0.01 -0.04 1.22 1.23 2g96A1 GLU 305 H 0.01 -0.00 -0.25 -0.55 8.60 7.81 2g96A1 GLU 305 HA -0.03 0.16 0.59 -0.75 4.29 4.25 2g96A1 GLU 305 HB2 -0.01 -0.08 0.03 -0.04 2.09 1.99 2g96A1 GLU 305 HB3 -0.01 0.04 -0.01 -0.04 1.99 1.97 2g96A1 GLU 305 HG2 -0.04 0.05 0.17 -0.04 2.34 2.48 2g96A1 GLU 305 HG3 -0.03 -0.04 0.04 -0.04 2.34 2.27 2g96A1 ALA 306 H 0.00 0.23 -0.95 -0.55 8.40 7.14 2g96A1 ALA 306 HA -0.02 0.02 0.39 -0.75 4.34 3.98 2g96A1 ALA 306 HB3 0.01 -0.00 -0.23 -0.04 1.41 1.14 2g96A1 PRO 307 HA 0.01 0.20 0.70 -0.51 4.44 4.84 2g96A1 PRO 307 HB2 -0.04 0.04 -0.28 -0.04 2.28 1.95 2g96A1 PRO 307 HB3 0.01 0.11 0.09 -0.04 2.02 2.18 2g96A1 PRO 307 HG2 -0.07 -0.11 -0.26 -0.04 2.03 1.54 2g96A1 PRO 307 HG3 -0.05 0.08 -0.12 -0.04 2.03 1.90 2g96A1 PRO 307 HD2 -0.04 0.00 -0.10 -0.04 3.68 3.50 2g96A1 PRO 307 HD3 -0.02 0.21 -0.32 -0.04 3.65 3.48 2g96A1 LEU 308 H -0.09 0.51 0.29 -0.55 8.37 8.54 2g96A1 LEU 308 HA -0.20 0.21 0.85 -0.75 4.35 4.46 2g96A1 LEU 308 HB2 -0.25 0.05 0.10 -0.04 1.64 1.50 2g96A1 LEU 308 HB3 -0.31 0.04 0.27 -0.04 1.64 1.59 2g96A1 LEU 308 HG -0.71 -0.10 -0.48 -0.04 1.64 0.31 2g96A1 LEU 308 HD13 -0.46 0.04 -0.14 -0.04 0.93 0.34 2g96A1 LEU 308 HD23 -1.62 -0.03 -0.07 -0.04 0.89 -0.87 2g96A1 ILE 309 H -0.22 0.95 0.29 -0.55 8.25 8.72 2g96A1 ILE 309 HA -0.24 0.26 0.71 -0.75 4.18 4.17 2g96A1 ILE 309 HB -0.17 -0.11 -0.02 -0.04 1.89 1.55 2g96A1 ILE 309 HG12 -0.13 0.03 -0.29 -0.04 1.49 1.06 2g96A1 ILE 309 HG13 -0.13 0.14 -0.35 -0.04 1.21 0.83 2g96A1 ILE 309 HG23 -0.16 -0.03 -0.35 -0.04 0.93 0.35 2g96A1 ILE 309 HD13 -0.09 -0.01 -0.24 -0.04 0.88 0.49 2g96A1 ILE 310 H -0.39 0.55 0.23 -0.55 8.25 8.08 2g96A1 ILE 310 HA -0.50 0.01 0.44 -0.75 4.18 3.38 2g96A1 ILE 310 HB -0.36 0.08 0.12 -0.04 1.89 1.68 2g96A1 ILE 310 HG12 -1.33 -0.04 -0.02 -0.04 1.49 0.05 2g96A1 ILE 310 HG13 -0.69 0.21 0.05 -0.04 1.21 0.73 2g96A1 ILE 310 HG23 -0.23 -0.05 -0.17 -0.04 0.93 0.45 2g96A1 ILE 310 HD13 -0.53 -0.01 -0.05 -0.04 0.88 0.25 2g96A1 ARG 311 H -0.18 0.32 0.10 -0.55 8.46 8.15 2g96A1 ARG 311 HA -0.15 0.30 1.14 -0.75 4.34 4.88 2g96A1 ARG 311 HB2 -0.13 0.15 -0.26 -0.04 1.90 1.62 2g96A1 ARG 311 HB3 -0.13 -0.15 -0.22 -0.04 1.80 1.27 2g96A1 ARG 311 HG2 -0.07 -0.05 -0.24 -0.04 1.67 1.27 2g96A1 ARG 311 HG3 -0.05 0.08 -0.07 -0.04 1.67 1.58 2g96A1 ARG 311 HD2 -0.06 0.06 -0.13 -0.04 3.22 3.04 2g96A1 ARG 311 HD3 -0.13 -0.06 -0.13 -0.04 3.22 2.86 2g96A1 PRO 312 HA -0.05 -0.06 0.54 -0.51 4.44 4.36 2g96A1 PRO 312 HB2 -0.07 -0.17 0.04 -0.04 2.28 2.05 2g96A1 PRO 312 HB3 -0.10 0.07 0.03 -0.04 2.02 1.99 2g96A1 PRO 312 HG2 -0.08 -0.02 -0.00 -0.04 2.03 1.88 2g96A1 PRO 312 HG3 -0.11 0.08 -0.08 -0.04 2.03 1.88 2g96A1 PRO 312 HD2 -0.14 0.50 0.34 -0.04 3.68 4.33 2g96A1 PRO 312 HD3 -0.14 0.13 -0.04 -0.04 3.65 3.57 2g96A1 ASP 313 H -0.02 -0.17 0.20 -0.55 8.40 7.86 2g96A1 ASP 313 HA 0.03 0.04 0.33 -0.75 4.63 4.28 2g96A1 ASP 313 HB2 0.05 0.27 -0.36 -0.04 2.71 2.64 2g96A1 ASP 313 HB3 0.14 -0.09 -0.19 -0.04 2.70 2.53 2g96A1 SER 314 H -0.02 -0.12 0.11 -0.55 8.46 7.88 2g96A1 SER 314 HA -0.01 0.28 0.74 -0.75 4.49 4.75 2g96A1 SER 314 HB2 -0.07 -0.10 0.19 -0.04 3.95 3.92 2g96A1 SER 314 HB3 -0.02 0.08 0.10 -0.04 3.93 4.05 2g96A1 GLY 315 H 0.01 0.15 0.02 -0.55 8.43 8.07 2g96A1 GLY 315 HA2 0.02 0.12 0.63 -0.51 4.01 4.28 2g96A1 GLY 315 HA3 0.03 0.08 0.22 -0.51 4.01 3.84 2g96A1 ASN 316 H 0.03 0.18 0.04 -0.55 8.53 8.24 2g96A1 ASN 316 HA 0.03 0.08 0.39 -0.75 4.76 4.51 2g96A1 ASN 316 HB2 0.03 0.05 -0.06 -0.04 2.88 2.86 2g96A1 ASN 316 HB3 0.05 0.16 0.40 -0.04 2.79 3.36 2g96A1 ASN 316 HD21 0.03 0.06 0.04 -0.04 7.03 7.12 2g96A1 ASN 316 HD22 0.03 0.07 0.04 -0.04 7.74 7.84 2g96A1 PRO 317 HA 0.02 0.01 0.25 -0.51 4.44 4.21 2g96A1 PRO 317 HB2 0.07 0.07 -0.09 -0.04 2.28 2.29 2g96A1 PRO 317 HB3 0.04 0.25 0.03 -0.04 2.02 2.30 2g96A1 PRO 317 HG2 0.04 -0.01 0.03 -0.04 2.03 2.04 2g96A1 PRO 317 HG3 0.04 0.24 0.01 -0.04 2.03 2.27 2g96A1 PRO 317 HD2 0.03 0.08 0.21 -0.04 3.68 3.96 2g96A1 PRO 317 HD3 0.03 0.11 0.07 -0.04 3.65 3.82 2g96A1 LEU 318 H 0.04 0.05 -0.40 -0.55 8.37 7.52 2g96A1 LEU 318 HA 0.04 0.15 0.42 -0.75 4.35 4.21 2g96A1 LEU 318 HB2 0.03 -0.01 0.01 -0.04 1.64 1.63 2g96A1 LEU 318 HB3 0.03 -0.11 0.10 -0.04 1.64 1.62 2g96A1 LEU 318 HG 0.03 0.04 -0.11 -0.04 1.64 1.56 2g96A1 LEU 318 HD13 0.05 0.01 -0.22 -0.04 0.93 0.72 2g96A1 LEU 318 HD23 0.04 -0.04 -0.01 -0.04 0.89 0.84 2g96A1 ASP 319 H 0.04 0.08 0.00 -0.55 8.40 7.98 2g96A1 ASP 319 HA 0.05 0.09 0.34 -0.75 4.63 4.35 2g96A1 ASP 319 HB2 0.06 0.11 0.12 -0.04 2.71 2.96 2g96A1 ASP 319 HB3 0.05 0.02 0.07 -0.04 2.70 2.80 2g96A1 THR 320 H 0.05 0.43 -0.47 -0.55 8.28 7.75 2g96A1 THR 320 HA 0.20 0.04 0.46 -0.75 4.39 4.34 2g96A1 THR 320 HB 0.02 0.07 -0.07 -0.04 4.32 4.30 2g96A1 THR 320 HG23 -0.05 -0.05 -0.13 -0.04 1.22 0.95 2g96A1 VAL 321 H -0.00 0.51 -0.12 -0.55 8.24 8.07 2g96A1 VAL 321 HA -0.12 0.00 0.43 -0.75 4.13 3.69 2g96A1 VAL 321 HB -0.04 0.12 0.18 -0.04 2.12 2.34 2g96A1 VAL 321 HG13 -0.19 0.01 -0.22 -0.04 0.97 0.52 2g96A1 VAL 321 HG23 -0.08 0.03 -0.02 -0.04 0.95 0.83 2g96A1 LEU 322 H -0.02 0.46 -0.16 -0.55 8.37 8.11 2g96A1 LEU 322 HA -0.18 0.11 0.33 -0.75 4.35 3.86 2g96A1 LEU 322 HB2 0.05 0.03 0.04 -0.04 1.64 1.72 2g96A1 LEU 322 HB3 0.12 0.03 -0.01 -0.04 1.64 1.75 2g96A1 LEU 322 HG 0.03 0.07 -0.05 -0.04 1.64 1.66 2g96A1 LEU 322 HD13 0.08 -0.03 -0.10 -0.04 0.93 0.84 2g96A1 LEU 322 HD23 0.15 0.03 -0.14 -0.04 0.89 0.89 2g96A1 LYS 323 H 0.05 0.33 -0.27 -0.55 8.42 7.98 2g96A1 LYS 323 HA 0.04 0.11 0.54 -0.75 4.32 4.25 2g96A1 LYS 323 HB2 0.02 0.15 0.15 -0.04 1.87 2.14 2g96A1 LYS 323 HB3 0.33 -0.03 0.10 -0.04 1.79 2.15 2g96A1 LYS 323 HG2 -0.30 -0.06 -0.05 -0.04 1.46 1.01 2g96A1 LYS 323 HG3 -0.11 0.04 0.05 -0.04 1.46 1.39 2g96A1 LYS 323 HD2 -0.24 0.04 0.01 -0.04 1.69 1.46 2g96A1 LYS 323 HD3 -0.92 -0.06 -0.00 -0.04 1.68 0.66 2g96A1 LYS 323 HE2 -0.82 -0.06 -0.01 -0.04 2.99 2.06 2g96A1 LYS 323 HE3 -0.27 0.05 -0.01 -0.04 2.99 2.73 2g96A1 VAL 324 H 0.07 0.62 -0.06 -0.55 8.24 8.32 2g96A1 VAL 324 HA 0.07 -0.06 0.33 -0.75 4.13 3.72 2g96A1 VAL 324 HB -0.12 0.15 0.18 -0.04 2.12 2.28 2g96A1 VAL 324 HG13 -0.16 0.00 -0.24 -0.04 0.97 0.53 2g96A1 VAL 324 HG23 -0.04 -0.00 -0.00 -0.04 0.95 0.86 2g96A1 LEU 325 H -0.27 0.67 -0.24 -0.55 8.37 7.98 2g96A1 LEU 325 HA -0.46 0.05 0.39 -0.75 4.35 3.56 2g96A1 LEU 325 HB2 -1.00 0.06 0.09 -0.04 1.64 0.75 2g96A1 LEU 325 HB3 -2.93 0.00 -0.08 -0.04 1.64 -1.41 2g96A1 LEU 325 HG -0.58 0.05 -0.03 -0.04 1.64 1.04 2g96A1 LEU 325 HD13 -1.05 -0.02 -0.15 -0.04 0.93 -0.33 2g96A1 LEU 325 HD23 -0.68 -0.01 -0.10 -0.04 0.89 0.06 2g96A1 ASP 326 H -0.01 0.51 -0.23 -0.55 8.40 8.13 2g96A1 ASP 326 HA 0.46 0.03 0.41 -0.75 4.63 4.78 2g96A1 ASP 326 HB2 0.22 0.19 0.21 -0.04 2.71 3.29 2g96A1 ASP 326 HB3 0.11 -0.06 0.22 -0.04 2.70 2.92 2g96A1 ILE 327 H 0.08 0.86 -0.17 -0.55 8.25 8.47 2g96A1 ILE 327 HA 0.12 0.03 0.46 -0.75 4.18 4.03 2g96A1 ILE 327 HB 0.11 0.04 0.12 -0.04 1.89 2.12 2g96A1 ILE 327 HG12 0.10 -0.01 0.01 -0.04 1.49 1.54 2g96A1 ILE 327 HG13 0.10 0.19 0.03 -0.04 1.21 1.48 2g96A1 ILE 327 HG23 0.14 -0.02 -0.21 -0.04 0.93 0.80 2g96A1 ILE 327 HD13 0.24 -0.03 -0.00 -0.04 0.88 1.05 2g96A1 LEU 328 H 0.02 0.71 -0.03 -0.55 8.37 8.53 2g96A1 LEU 328 HA 0.06 0.02 0.31 -0.75 4.35 3.99 2g96A1 LEU 328 HB2 -0.13 0.03 0.10 -0.04 1.64 1.60 2g96A1 LEU 328 HB3 -0.23 0.00 -0.05 -0.04 1.64 1.33 2g96A1 LEU 328 HG -0.10 0.20 0.06 -0.04 1.64 1.76 2g96A1 LEU 328 HD13 -0.31 -0.02 -0.12 -0.04 0.93 0.44 2g96A1 LEU 328 HD23 -0.11 -0.04 -0.11 -0.04 0.89 0.59 2g96A1 GLY 329 H 0.20 0.85 -0.22 -0.55 8.43 8.71 2g96A1 GLY 329 HA2 0.30 0.01 0.42 -0.51 4.01 4.22 2g96A1 GLY 329 HA3 0.45 0.02 0.30 -0.51 4.01 4.27 2g96A1 LYS 330 H 0.19 0.40 -0.20 -0.55 8.42 8.26 2g96A1 LYS 330 HA 0.12 0.02 0.45 -0.75 4.32 4.15 2g96A1 LYS 330 HB2 0.13 0.12 0.19 -0.04 1.87 2.27 2g96A1 LYS 330 HB3 0.10 -0.10 0.13 -0.04 1.79 1.88 2g96A1 LYS 330 HG2 0.08 -0.07 0.07 -0.04 1.46 1.50 2g96A1 LYS 330 HG3 0.13 0.03 0.11 -0.04 1.46 1.68 2g96A1 LYS 330 HD2 0.10 0.05 0.02 -0.04 1.69 1.82 2g96A1 LYS 330 HD3 0.07 -0.09 0.03 -0.04 1.68 1.65 2g96A1 LYS 330 HE2 0.06 -0.04 0.02 -0.04 2.99 2.99 2g96A1 LYS 330 HE3 0.11 0.04 0.04 -0.04 2.99 3.14 2g96A1 LYS 331 H 0.26 0.18 -0.57 -0.55 8.42 7.73 2g96A1 LYS 331 HA 0.15 0.12 0.96 -0.75 4.32 4.80 2g96A1 LYS 331 HB2 0.50 -0.01 0.06 -0.04 1.87 2.37 2g96A1 LYS 331 HB3 0.40 -0.01 0.13 -0.04 1.79 2.26 2g96A1 LYS 331 HG2 0.19 0.13 -0.10 -0.04 1.46 1.64 2g96A1 LYS 331 HG3 0.24 -0.10 -0.00 -0.04 1.46 1.56 2g96A1 LYS 331 HD2 0.12 0.10 -0.06 -0.04 1.69 1.81 2g96A1 LYS 331 HD3 0.12 -0.13 0.00 -0.04 1.68 1.63 2g96A1 LYS 331 HE2 0.14 -0.00 0.03 -0.04 2.99 3.12 2g96A1 LYS 331 HE3 0.11 0.05 0.22 -0.04 2.99 3.33 2g96A1 PHE 332 H 0.41 0.46 0.04 -0.55 8.34 8.69 2g96A1 PHE 332 HA 0.11 0.16 0.97 -0.75 4.62 5.10 2g96A1 PHE 332 HB2 0.09 0.06 0.05 -0.04 3.15 3.32 2g96A1 PHE 332 HB3 0.12 -0.01 0.10 -0.04 3.06 3.23 2g96A1 PHE 332 HD2 0.28 -0.12 -0.26 -0.04 7.28 7.14 2g96A1 PHE 332 HE2 0.10 -0.09 -0.05 -0.04 7.38 7.30 2g96A1 PHE 332 HZ 0.10 0.15 -0.00 -0.04 7.32 7.53 2g96A1 PRO 333 HA 0.08 0.07 0.55 -0.51 4.44 4.63 2g96A1 PRO 333 HB2 0.05 0.00 0.09 -0.04 2.28 2.38 2g96A1 PRO 333 HB3 0.06 -0.01 0.12 -0.04 2.02 2.15 2g96A1 PRO 333 HG2 0.07 0.02 0.21 -0.04 2.03 2.28 2g96A1 PRO 333 HG3 0.11 0.00 0.13 -0.04 2.03 2.23 2g96A1 PRO 333 HD2 0.34 0.09 0.22 -0.04 3.68 4.29 2g96A1 PRO 333 HD3 0.10 0.12 0.22 -0.04 3.65 4.04 2g96A1 VAL 334 H 0.09 0.29 0.33 -0.55 8.24 8.41 2g96A1 VAL 334 HA 0.10 0.16 0.58 -0.75 4.13 4.21 2g96A1 VAL 334 HB -0.00 -0.09 -0.05 -0.04 2.12 1.93 2g96A1 VAL 334 HG13 0.27 0.00 -0.04 -0.04 0.97 1.16 2g96A1 VAL 334 HG23 0.06 0.08 0.15 -0.04 0.95 1.20 2g96A1 SER 335 H 0.04 0.84 0.39 -0.55 8.46 9.19 2g96A1 SER 335 HA 0.00 0.11 0.94 -0.75 4.49 4.79 2g96A1 SER 335 HB2 0.01 -0.03 -0.04 -0.04 3.95 3.85 2g96A1 SER 335 HB3 0.01 0.02 -0.05 -0.04 3.93 3.87 2g96A1 GLU 336 H -0.02 0.14 0.11 -0.55 8.60 8.29 2g96A1 GLU 336 HA -0.02 0.13 0.41 -0.75 4.29 4.06 2g96A1 GLU 336 HB2 -0.05 -0.01 0.04 -0.04 2.09 2.02 2g96A1 GLU 336 HB3 -0.02 -0.04 0.09 -0.04 1.99 1.98 2g96A1 GLU 336 HG2 -0.03 -0.01 -0.19 -0.04 2.34 2.07 2g96A1 GLU 336 HG3 -0.08 0.11 -0.30 -0.04 2.34 2.02 2g96A1 ASN 337 H 0.05 0.63 0.21 -0.55 8.53 8.87 2g96A1 ASN 337 HA 0.03 0.13 0.54 -0.75 4.76 4.70 2g96A1 ASN 337 HB2 0.04 -0.07 0.17 -0.04 2.88 2.98 2g96A1 ASN 337 HB3 0.05 0.11 0.12 -0.04 2.79 3.03 2g96A1 ASN 337 HD21 0.11 0.45 0.23 -0.04 7.03 7.77 2g96A1 ASN 337 HD22 0.08 -0.07 0.09 -0.04 7.74 7.80 2g96A1 SER 338 H 0.03 0.19 0.12 -0.55 8.46 8.26 2g96A1 SER 338 HA 0.02 0.09 0.33 -0.75 4.49 4.18 2g96A1 SER 338 HB2 0.02 0.01 0.21 -0.04 3.95 4.14 2g96A1 SER 338 HB3 0.02 0.00 0.14 -0.04 3.93 4.05 2g96A1 LYS 339 H 0.08 0.17 -0.79 -0.55 8.42 7.33 2g96A1 LYS 339 HA 0.08 0.15 0.70 -0.75 4.32 4.49 2g96A1 LYS 339 HB2 0.17 0.11 -0.20 -0.04 1.87 1.91 2g96A1 LYS 339 HB3 0.21 0.00 -0.07 -0.04 1.79 1.89 2g96A1 LYS 339 HG2 0.05 0.03 -0.73 -0.04 1.46 0.77 2g96A1 LYS 339 HG3 0.03 -0.12 -0.54 -0.04 1.46 0.79 2g96A1 LYS 339 HD2 0.05 0.06 0.07 -0.04 1.69 1.83 2g96A1 LYS 339 HD3 0.02 -0.01 -0.06 -0.04 1.68 1.59 2g96A1 LYS 339 HE2 -0.00 -0.09 0.04 -0.04 2.99 2.89 2g96A1 LYS 339 HE3 0.08 0.05 -0.11 -0.04 2.99 2.97 2g96A1 GLY 340 H 0.06 0.40 0.14 -0.55 8.43 8.49 2g96A1 GLY 340 HA2 -0.06 -0.00 0.30 -0.51 4.01 3.75 2g96A1 GLY 340 HA3 -0.11 0.18 0.79 -0.51 4.01 4.36 2g96A1 TYR 341 H 0.28 0.00 -0.09 -0.55 8.29 7.93 2g96A1 TYR 341 HA -0.05 0.35 0.86 -0.75 4.56 4.96 2g96A1 TYR 341 HB2 0.04 0.02 0.04 -0.04 3.06 3.13 2g96A1 TYR 341 HB3 0.07 -0.02 -0.53 -0.04 2.98 2.47 2g96A1 TYR 341 HD2 0.05 0.02 -0.37 -0.04 7.15 6.82 2g96A1 TYR 341 HE2 0.04 -0.02 -0.01 -0.04 6.85 6.82 2g96A1 LYS 342 H -0.15 0.77 0.42 -0.55 8.42 8.90 2g96A1 LYS 342 HA -0.08 0.03 0.34 -0.75 4.32 3.85 2g96A1 LYS 342 HB2 -0.79 -0.01 0.19 -0.04 1.87 1.23 2g96A1 LYS 342 HB3 -0.35 -0.04 -0.02 -0.04 1.79 1.34 2g96A1 LYS 342 HG2 -0.64 -0.03 -0.02 -0.04 1.46 0.73 2g96A1 LYS 342 HG3 -0.31 -0.04 -0.02 -0.04 1.46 1.05 2g96A1 LYS 342 HD2 -0.49 -0.08 0.02 -0.04 1.69 1.10 2g96A1 LYS 342 HD3 -0.47 0.25 0.21 -0.04 1.68 1.62 2g96A1 LYS 342 HE2 -1.04 0.14 -0.06 -0.04 2.99 1.99 2g96A1 LYS 342 HE3 -1.98 -0.07 -0.11 -0.04 2.99 0.78 2g96A1 LEU 343 H 0.06 0.36 0.28 -0.55 8.37 8.52 2g96A1 LEU 343 HA 0.19 -0.03 0.77 -0.75 4.35 4.52 2g96A1 LEU 343 HB2 0.08 -0.01 -0.03 -0.04 1.64 1.64 2g96A1 LEU 343 HB3 0.05 0.06 0.15 -0.04 1.64 1.85 2g96A1 LEU 343 HG 0.02 0.40 -0.08 -0.04 1.64 1.93 2g96A1 LEU 343 HD13 0.06 -0.04 0.02 -0.04 0.93 0.92 2g96A1 LEU 343 HD23 0.02 -0.04 -0.01 -0.04 0.89 0.82 2g96A1 LEU 344 H 0.09 0.07 0.12 -0.55 8.37 8.10 2g96A1 LEU 344 HA 0.07 0.11 0.48 -0.75 4.35 4.26 2g96A1 LEU 344 HB2 -0.06 0.24 0.06 -0.04 1.64 1.84 2g96A1 LEU 344 HB3 -0.07 0.04 0.06 -0.04 1.64 1.64 2g96A1 LEU 344 HG 0.09 -0.15 0.01 -0.04 1.64 1.55 2g96A1 LEU 344 HD13 -0.18 -0.01 -0.12 -0.04 0.93 0.59 2g96A1 LEU 344 HD23 0.11 -0.00 -0.18 -0.04 0.89 0.78 2g96A1 PRO 345 HA -0.18 0.11 0.57 -0.51 4.44 4.43 2g96A1 PRO 345 HB2 -0.92 -0.04 0.04 -0.04 2.28 1.32 2g96A1 PRO 345 HB3 -0.19 0.09 0.16 -0.04 2.02 2.04 2g96A1 PRO 345 HG2 -0.62 -0.05 0.13 -0.04 2.03 1.45 2g96A1 PRO 345 HG3 0.06 0.03 0.10 -0.04 2.03 2.18 2g96A1 PRO 345 HD2 -0.01 0.03 0.14 -0.04 3.68 3.80 2g96A1 PRO 345 HD3 0.04 0.36 0.05 -0.04 3.65 4.06 2g96A1 PRO 346 HA -0.09 0.08 0.29 -0.51 4.44 4.21 2g96A1 PRO 346 HB2 -0.03 -0.01 -0.01 -0.04 2.28 2.19 2g96A1 PRO 346 HB3 -0.05 -0.00 0.12 -0.04 2.02 2.05 2g96A1 PRO 346 HG2 -0.12 0.05 -0.06 -0.04 2.03 1.86 2g96A1 PRO 346 HG3 -0.05 0.00 0.05 -0.04 2.03 2.00 2g96A1 PRO 346 HD2 -0.20 0.08 0.20 -0.04 3.68 3.73 2g96A1 PRO 346 HD3 -0.09 0.13 0.22 -0.04 3.65 3.87 2g96A1 TYR 347 H -0.51 0.04 -0.49 -0.55 8.29 6.78 2g96A1 TYR 347 HA -0.04 0.14 0.46 -0.75 4.56 4.37 2g96A1 TYR 347 HB2 -0.01 0.03 0.01 -0.04 3.06 3.05 2g96A1 TYR 347 HB3 0.01 0.06 -0.23 -0.04 2.98 2.78 2g96A1 TYR 347 HD2 0.03 0.03 -0.35 -0.04 7.15 6.82 2g96A1 TYR 347 HE2 0.31 -0.04 -0.02 -0.04 6.85 7.06 2g96A1 LEU 348 H -0.15 0.61 -0.30 -0.55 8.37 7.99 2g96A1 LEU 348 HA -0.10 0.20 1.03 -0.75 4.35 4.73 2g96A1 LEU 348 HB2 0.13 -0.02 -0.16 -0.04 1.64 1.54 2g96A1 LEU 348 HB3 -0.13 0.00 0.07 -0.04 1.64 1.54 2g96A1 LEU 348 HG -0.31 -0.06 -0.21 -0.04 1.64 1.02 2g96A1 LEU 348 HD13 -0.42 0.01 0.06 -0.04 0.93 0.54 2g96A1 LEU 348 HD23 -0.99 -0.02 -0.06 -0.04 0.89 -0.22 2g96A1 ARG 349 H -0.19 0.43 0.22 -0.55 8.46 8.37 2g96A1 ARG 349 HA -0.15 0.17 0.86 -0.75 4.34 4.46 2g96A1 ARG 349 HB2 -0.13 -0.09 -0.12 -0.04 1.90 1.52 2g96A1 ARG 349 HB3 -0.12 0.09 0.10 -0.04 1.80 1.82 2g96A1 ARG 349 HG2 -0.09 -0.02 -0.52 -0.04 1.67 1.00 2g96A1 ARG 349 HG3 -0.08 -0.02 -0.15 -0.04 1.67 1.39 2g96A1 ARG 349 HD2 -0.06 0.14 0.02 -0.04 3.22 3.27 2g96A1 ARG 349 HD3 -0.09 0.11 0.08 -0.04 3.22 3.29 2g96A1 VAL 350 H -0.19 0.83 0.41 -0.55 8.24 8.73 2g96A1 VAL 350 HA -0.24 0.35 1.00 -0.75 4.13 4.48 2g96A1 VAL 350 HB -0.26 0.03 -0.05 -0.04 2.12 1.80 2g96A1 VAL 350 HG13 -0.24 -0.04 -0.13 -0.04 0.97 0.52 2g96A1 VAL 350 HG23 -0.26 -0.02 -0.27 -0.04 0.95 0.36 2g96A1 ILE 351 H -0.21 0.38 0.28 -0.55 8.25 8.15 2g96A1 ILE 351 HA -0.36 0.42 0.84 -0.75 4.18 4.33 2g96A1 ILE 351 HB -0.15 -0.07 -0.26 -0.04 1.89 1.37 2g96A1 ILE 351 HG12 -0.15 0.16 -0.24 -0.04 1.49 1.21 2g96A1 ILE 351 HG13 -0.10 -0.17 -0.06 -0.04 1.21 0.84 2g96A1 ILE 351 HG23 -0.15 -0.00 -0.38 -0.04 0.93 0.36 2g96A1 ILE 351 HD13 -0.03 -0.02 -0.24 -0.04 0.88 0.55 2g96A1 GLN 352 H -0.50 0.49 0.18 -0.55 8.47 8.09 2g96A1 GLN 352 HA -0.10 0.08 0.77 -0.75 4.36 4.35 2g96A1 GLN 352 HB2 -0.28 0.10 0.01 -0.04 2.15 1.94 2g96A1 GLN 352 HB3 0.07 -0.05 0.16 -0.04 2.02 2.17 2g96A1 GLN 352 HG2 0.10 -0.01 -0.07 -0.04 2.40 2.38 2g96A1 GLN 352 HG3 0.06 0.03 -0.09 -0.04 2.39 2.36 2g96A1 GLN 352 HE21 -0.02 -0.15 -0.21 -0.04 6.97 6.55 2g96A1 GLN 352 HE22 0.02 -0.10 -0.02 -0.04 7.69 7.54 2g96A1 GLY 353 H 0.01 0.39 0.05 -0.55 8.43 8.33 2g96A1 GLY 353 HA2 0.11 0.21 0.81 -0.51 4.01 4.63 2g96A1 GLY 353 HA3 0.24 0.04 0.28 -0.51 4.01 4.06 2g96A1 ASP 354 H 0.04 0.12 -0.26 -0.55 8.40 7.76 2g96A1 ASP 354 HA 0.08 0.14 0.89 -0.75 4.63 4.98 2g96A1 ASP 354 HB2 0.06 0.09 -0.13 -0.04 2.71 2.69 2g96A1 ASP 354 HB3 0.03 -0.13 -0.15 -0.04 2.70 2.42 2g96A1 GLY 355 H 0.05 0.15 0.10 -0.55 8.43 8.18 2g96A1 GLY 355 HA2 0.03 0.03 0.29 -0.51 4.01 3.84 2g96A1 GLY 355 HA3 0.03 0.04 0.36 -0.51 4.01 3.94 2g96A1 VAL 356 H 0.04 0.10 -0.36 -0.55 8.24 7.47 2g96A1 VAL 356 HA 0.02 0.14 0.83 -0.75 4.13 4.37 2g96A1 VAL 356 HB 0.02 0.02 -0.13 -0.04 2.12 1.99 2g96A1 VAL 356 HG13 -0.04 0.00 -0.26 -0.04 0.97 0.63 2g96A1 VAL 356 HG23 0.16 0.03 -0.23 -0.04 0.95 0.88 2g96A1 ASP 357 H -0.02 0.16 0.23 -0.55 8.40 8.22 2g96A1 ASP 357 HA -0.01 0.23 0.62 -0.75 4.63 4.72 2g96A1 ASP 357 HB2 0.02 0.16 0.13 -0.04 2.71 2.98 2g96A1 ASP 357 HB3 0.02 0.01 -0.19 -0.04 2.70 2.50 2g96A1 ILE 358 H 0.02 0.30 0.10 -0.55 8.25 8.12 2g96A1 ILE 358 HA -0.02 0.09 0.29 -0.75 4.18 3.79 2g96A1 ILE 358 HB 0.07 0.10 0.13 -0.04 1.89 2.16 2g96A1 ILE 358 HG12 0.04 -0.01 -0.14 -0.04 1.49 1.34 2g96A1 ILE 358 HG13 0.04 0.01 0.04 -0.04 1.21 1.25 2g96A1 ILE 358 HG23 0.09 0.01 -0.02 -0.04 0.93 0.97 2g96A1 ILE 358 HD13 0.21 0.04 -0.01 -0.04 0.88 1.08 2g96A1 ASN 359 H 0.00 -0.00 -0.35 -0.55 8.53 7.64 2g96A1 ASN 359 HA -0.02 0.21 0.61 -0.75 4.76 4.80 2g96A1 ASN 359 HB2 -0.00 -0.10 0.10 -0.04 2.88 2.84 2g96A1 ASN 359 HB3 -0.01 0.04 -0.03 -0.04 2.79 2.75 2g96A1 ASN 359 HD21 -0.01 0.08 0.00 -0.04 7.03 7.05 2g96A1 ASN 359 HD22 0.00 -0.04 0.01 -0.04 7.74 7.67 2g96A1 THR 360 H -0.02 -0.01 0.00 -0.55 8.28 7.71 2g96A1 THR 360 HA -0.02 0.04 0.40 -0.75 4.39 4.06 2g96A1 THR 360 HB -0.02 -0.46 0.32 -0.04 4.32 4.13 2g96A1 THR 360 HG23 0.01 0.11 0.00 -0.04 1.22 1.30 2g96A1 LEU 361 H -0.09 0.80 -0.14 -0.55 8.37 8.40 2g96A1 LEU 361 HA -0.31 -0.02 0.27 -0.75 4.35 3.54 2g96A1 LEU 361 HB2 -0.19 -0.05 -0.10 -0.04 1.64 1.25 2g96A1 LEU 361 HB3 -0.16 0.12 0.01 -0.04 1.64 1.57 2g96A1 LEU 361 HG -0.38 0.02 -0.25 -0.04 1.64 0.99 2g96A1 LEU 361 HD13 -0.89 -0.01 -0.07 -0.04 0.93 -0.09 2g96A1 LEU 361 HD23 -0.17 0.03 -0.03 -0.04 0.89 0.68 2g96A1 GLN 362 H -0.12 0.32 -0.30 -0.55 8.47 7.82 2g96A1 GLN 362 HA -0.24 0.04 0.32 -0.75 4.36 3.73 2g96A1 GLN 362 HB2 -0.07 0.06 0.16 -0.04 2.15 2.25 2g96A1 GLN 362 HB3 -0.06 0.20 0.20 -0.04 2.02 2.32 2g96A1 GLN 362 HG2 -0.01 -0.00 -0.00 -0.04 2.40 2.34 2g96A1 GLN 362 HG3 -0.04 -0.03 -0.31 -0.04 2.39 1.96 2g96A1 GLN 362 HE21 0.11 0.03 0.02 -0.04 6.97 7.08 2g96A1 GLN 362 HE22 -0.02 0.02 0.05 -0.04 7.69 7.70 2g96A1 GLU 363 H -0.07 0.35 -0.09 -0.55 8.60 8.25 2g96A1 GLU 363 HA -0.03 0.05 0.38 -0.75 4.29 3.94 2g96A1 GLU 363 HB2 -0.01 -0.01 0.13 -0.04 2.09 2.15 2g96A1 GLU 363 HB3 -0.00 -0.04 0.06 -0.04 1.99 1.97 2g96A1 GLU 363 HG2 -0.01 0.02 0.04 -0.04 2.34 2.34 2g96A1 GLU 363 HG3 -0.03 0.23 0.09 -0.04 2.34 2.59 2g96A1 ILE 364 H -0.06 0.57 -0.11 -0.55 8.25 8.09 2g96A1 ILE 364 HA 0.03 -0.06 0.35 -0.75 4.18 3.74 2g96A1 ILE 364 HB -0.04 0.17 0.12 -0.04 1.89 2.10 2g96A1 ILE 364 HG12 0.06 -0.18 -0.18 -0.04 1.49 1.15 2g96A1 ILE 364 HG13 0.00 0.26 0.03 -0.04 1.21 1.46 2g96A1 ILE 364 HG23 0.26 0.00 -0.20 -0.04 0.93 0.95 2g96A1 ILE 364 HD13 0.13 -0.02 -0.19 -0.04 0.88 0.76 2g96A1 VAL 365 H -0.21 0.70 0.04 -0.55 8.24 8.22 2g96A1 VAL 365 HA -0.03 0.04 0.35 -0.75 4.13 3.73 2g96A1 VAL 365 HB -0.40 0.13 0.05 -0.04 2.12 1.87 2g96A1 VAL 365 HG13 -1.21 0.03 -0.18 -0.04 0.97 -0.43 2g96A1 VAL 365 HG23 -0.13 0.00 -0.01 -0.04 0.95 0.77 2g96A1 GLU 366 H -0.20 0.46 -0.41 -0.55 8.60 7.89 2g96A1 GLU 366 HA 0.24 0.10 0.67 -0.75 4.29 4.54 2g96A1 GLU 366 HB2 -0.13 0.21 0.11 -0.04 2.09 2.24 2g96A1 GLU 366 HB3 0.04 -0.01 0.00 -0.04 1.99 1.98 2g96A1 GLU 366 HG2 0.62 0.03 0.06 -0.04 2.34 3.00 2g96A1 GLU 366 HG3 0.24 -0.03 0.00 -0.04 2.34 2.52 2g96A1 GLY 367 H 0.01 0.53 0.02 -0.55 8.43 8.44 2g96A1 GLY 367 HA2 0.08 -0.01 0.52 -0.51 4.01 4.09 2g96A1 GLY 367 HA3 0.06 -0.05 0.34 -0.51 4.01 3.85 2g96A1 MET 368 H 0.09 0.58 -0.22 -0.55 8.47 8.38 2g96A1 MET 368 HA 0.25 -0.01 0.32 -0.75 4.52 4.32 2g96A1 MET 368 HB2 0.15 0.14 0.01 -0.04 2.15 2.40 2g96A1 MET 368 HB3 0.25 0.03 -0.27 -0.04 2.03 2.00 2g96A1 MET 368 HG2 0.05 -0.11 -0.13 -0.04 2.63 2.40 2g96A1 MET 368 HG3 0.10 0.14 -0.19 -0.04 2.56 2.57 2g96A1 MET 368 HE3 0.30 -0.01 -0.19 -0.04 2.10 2.17 2g96A1 LYS 369 H 0.22 0.31 -0.23 -0.55 8.42 8.17 2g96A1 LYS 369 HA 0.47 0.17 0.34 -0.75 4.32 4.54 2g96A1 LYS 369 HB2 0.41 0.12 0.22 -0.04 1.87 2.58 2g96A1 LYS 369 HB3 0.32 -0.04 0.20 -0.04 1.79 2.23 2g96A1 LYS 369 HG2 0.41 -0.03 -0.13 -0.04 1.46 1.67 2g96A1 LYS 369 HG3 0.25 0.10 0.08 -0.04 1.46 1.85 2g96A1 LYS 369 HD2 -0.05 0.02 0.05 -0.04 1.69 1.67 2g96A1 LYS 369 HD3 0.19 -0.06 0.03 -0.04 1.68 1.80 2g96A1 LYS 369 HE2 0.16 -0.02 -0.04 -0.04 2.99 3.05 2g96A1 LYS 369 HE3 0.14 0.08 0.02 -0.04 2.99 3.19 2g96A1 GLN 370 H 0.19 0.60 -0.08 -0.55 8.47 8.62 2g96A1 GLN 370 HA 0.10 -0.02 0.38 -0.75 4.36 4.07 2g96A1 GLN 370 HB2 0.10 0.05 0.11 -0.04 2.15 2.37 2g96A1 GLN 370 HB3 0.07 -0.08 0.05 -0.04 2.02 2.02 2g96A1 GLN 370 HG2 0.09 -0.07 0.08 -0.04 2.40 2.47 2g96A1 GLN 370 HG3 0.13 0.46 0.19 -0.04 2.39 3.12 2g96A1 GLN 370 HE21 0.06 -0.08 -0.02 -0.04 6.97 6.88 2g96A1 GLN 370 HE22 0.08 0.02 -0.03 -0.04 7.69 7.71 2g96A1 LYS 371 H 0.18 0.38 -0.47 -0.55 8.42 7.95 2g96A1 LYS 371 HA 0.05 0.02 0.52 -0.75 4.32 4.16 2g96A1 LYS 371 HB2 0.35 0.13 0.19 -0.04 1.87 2.49 2g96A1 LYS 371 HB3 0.30 -0.08 0.22 -0.04 1.79 2.19 2g96A1 LYS 371 HG2 0.14 0.06 0.05 -0.04 1.46 1.66 2g96A1 LYS 371 HG3 0.18 -0.12 0.03 -0.04 1.46 1.50 2g96A1 LYS 371 HD2 0.09 0.01 0.02 -0.04 1.69 1.77 2g96A1 LYS 371 HD3 0.07 0.05 -0.09 -0.04 1.68 1.66 2g96A1 LYS 371 HE2 0.08 -0.05 -0.01 -0.04 2.99 2.98 2g96A1 LYS 371 HE3 0.05 -0.01 -0.02 -0.04 2.99 2.97 2g96A1 LYS 372 H 0.01 0.48 -0.70 -0.55 8.42 7.66 2g96A1 LYS 372 HA -0.23 0.11 0.34 -0.75 4.32 3.79 2g96A1 LYS 372 HB2 -0.30 -0.02 -0.00 -0.04 1.87 1.51 2g96A1 LYS 372 HB3 -0.33 0.04 0.30 -0.04 1.79 1.75 2g96A1 LYS 372 HG2 -0.20 -0.06 0.07 -0.04 1.46 1.22 2g96A1 LYS 372 HG3 -0.22 0.08 0.11 -0.04 1.46 1.39 2g96A1 LYS 372 HD2 -0.08 0.12 0.07 -0.04 1.69 1.77 2g96A1 LYS 372 HD3 -0.14 -0.05 -0.14 -0.04 1.68 1.31 2g96A1 LYS 372 HE2 -0.09 -0.07 0.03 -0.04 2.99 2.82 2g96A1 LYS 372 HE3 -0.07 0.03 0.09 -0.04 2.99 2.99 2g96A1 TRP 373 H 0.37 0.59 -0.39 -0.55 7.97 7.99 2g96A1 TRP 373 HA 0.12 0.07 0.91 -0.75 4.62 4.97 2g96A1 TRP 373 HB2 0.10 -0.02 -0.05 -0.04 3.23 3.22 2g96A1 TRP 373 HB3 0.08 -0.03 -0.09 -0.04 3.23 3.14 2g96A1 TRP 373 HD1 0.05 -0.00 0.03 -0.04 7.22 7.26 2g96A1 TRP 373 HE1 0.03 -0.05 -0.00 -0.04 10.20 10.14 2g96A1 TRP 373 HE3 0.04 0.03 -0.04 -0.04 7.59 7.57 2g96A1 TRP 373 HZ2 0.03 -0.03 -0.36 -0.04 7.44 7.04 2g96A1 TRP 373 HZ3 0.01 -0.02 -0.17 -0.04 7.13 6.91 2g96A1 TRP 373 HH2 0.02 0.03 -0.06 -0.04 7.19 7.15 2g96A1 SER 374 H 0.46 0.35 0.17 -0.55 8.46 8.89 2g96A1 SER 374 HA 0.11 0.23 0.77 -0.75 4.49 4.85 2g96A1 SER 374 HB2 0.18 0.13 0.01 -0.04 3.95 4.22 2g96A1 SER 374 HB3 0.19 0.15 0.23 -0.04 3.93 4.45 2g96A1 ILE 375 H 0.03 0.30 0.06 -0.55 8.25 8.09 2g96A1 ILE 375 HA 0.12 0.06 0.37 -0.75 4.18 3.98 2g96A1 ILE 375 HB 0.07 0.02 -0.09 -0.04 1.89 1.85 2g96A1 ILE 375 HG12 0.04 0.06 -0.05 -0.04 1.49 1.51 2g96A1 ILE 375 HG13 0.15 -0.08 -0.37 -0.04 1.21 0.87 2g96A1 ILE 375 HG23 0.15 0.00 0.09 -0.04 0.93 1.13 2g96A1 ILE 375 HD13 0.13 0.00 -0.02 -0.04 0.88 0.94 2g96A1 GLU 376 H 0.07 -0.03 -0.88 -0.55 8.60 7.21 2g96A1 GLU 376 HA 0.04 0.15 0.47 -0.75 4.29 4.20 2g96A1 GLU 376 HB2 0.05 -0.01 -0.01 -0.04 2.09 2.08 2g96A1 GLU 376 HB3 0.02 0.05 -0.04 -0.04 1.99 1.98 2g96A1 GLU 376 HG2 0.03 0.03 -0.06 -0.04 2.34 2.30 2g96A1 GLU 376 HG3 0.03 -0.07 -0.10 -0.04 2.34 2.15 2g96A1 ASN 377 H 0.06 0.29 -0.11 -0.55 8.53 8.22 2g96A1 ASN 377 HA -0.04 0.15 0.50 -0.75 4.76 4.62 2g96A1 ASN 377 HB2 -0.05 0.06 0.04 -0.04 2.88 2.89 2g96A1 ASN 377 HB3 -0.10 -0.05 0.06 -0.04 2.79 2.66 2g96A1 ASN 377 HD21 0.39 0.36 0.23 -0.04 7.03 7.96 2g96A1 ASN 377 HD22 0.29 0.20 0.18 -0.04 7.74 8.37 2g96A1 VAL 378 H -0.03 0.15 -0.42 -0.55 8.24 7.39 2g96A1 VAL 378 HA -0.23 0.44 1.23 -0.75 4.13 4.82 2g96A1 VAL 378 HB -0.20 -0.04 -0.05 -0.04 2.12 1.79 2g96A1 VAL 378 HG13 -0.73 -0.01 -0.34 -0.04 0.97 -0.16 2g96A1 VAL 378 HG23 -0.23 -0.03 -0.31 -0.04 0.95 0.34 2g96A1 SER 379 H -0.24 0.48 0.31 -0.55 8.46 8.46 2g96A1 SER 379 HA 0.07 0.16 0.81 -0.75 4.49 4.77 2g96A1 SER 379 HB2 0.02 -0.03 0.11 -0.04 3.95 4.01 2g96A1 SER 379 HB3 -0.01 0.10 0.05 -0.04 3.93 4.03 2g96A1 PHE 380 H 0.18 1.02 0.33 -0.55 8.34 9.32 2g96A1 PHE 380 HA -0.10 0.05 1.11 -0.75 4.62 4.92 2g96A1 PHE 380 HB2 -0.13 0.08 0.08 -0.04 3.15 3.13 2g96A1 PHE 380 HB3 -0.12 -0.13 0.06 -0.04 3.06 2.82 2g96A1 PHE 380 HD2 -0.07 0.02 -0.05 -0.04 7.28 7.14 2g96A1 PHE 380 HE2 -0.05 0.08 -0.09 -0.04 7.38 7.28 2g96A1 PHE 380 HZ -0.06 -0.01 -0.16 -0.04 7.32 7.04 2g96A1 GLY 381 H -0.02 0.61 0.20 -0.55 8.43 8.68 2g96A1 GLY 381 HA2 -0.56 0.17 0.92 -0.51 4.01 4.03 2g96A1 GLY 381 HA3 -0.76 -0.02 0.27 -0.51 4.01 2.99 2g96A1 SER 382 H -0.32 0.33 0.15 -0.55 8.46 8.07 2g96A1 SER 382 HA -0.05 0.13 0.92 -0.75 4.49 4.73 2g96A1 SER 382 HB2 -0.09 0.05 -0.08 -0.04 3.95 3.79 2g96A1 SER 382 HB3 -0.14 0.04 0.05 -0.04 3.93 3.84 2g96A1 GLY 383 H 0.03 0.14 0.14 -0.55 8.43 8.19 2g96A1 GLY 383 HA2 0.11 -0.01 0.91 -0.51 4.01 4.51 2g96A1 GLY 383 HA3 0.11 0.11 0.38 -0.51 4.01 4.10 2g96A1 GLY 384 H 0.07 0.26 0.15 -0.55 8.43 8.36 2g96A1 GLY 384 HA2 0.06 0.01 0.39 -0.51 4.01 3.96 2g96A1 GLY 384 HA3 0.06 0.18 0.30 -0.51 4.01 4.04 2g96A1 ALA 385 H 0.04 -0.13 -0.44 -0.55 8.40 7.32 2g96A1 ALA 385 HA 0.05 0.16 0.42 -0.75 4.34 4.21 2g96A1 ALA 385 HB3 0.02 -0.03 0.03 -0.04 1.41 1.39 2g96A1 LEU 386 H 0.01 0.05 -0.42 -0.55 8.37 7.47 2g96A1 LEU 386 HA 0.01 0.19 0.60 -0.75 4.35 4.40 2g96A1 LEU 386 HB2 -0.06 -0.06 -0.05 -0.04 1.64 1.42 2g96A1 LEU 386 HB3 -0.06 0.03 -0.06 -0.04 1.64 1.51 2g96A1 LEU 386 HG -0.09 -0.05 -0.31 -0.04 1.64 1.15 2g96A1 LEU 386 HD13 0.04 0.03 -0.02 -0.04 0.93 0.94 2g96A1 LEU 386 HD23 -0.39 -0.00 -0.05 -0.04 0.89 0.40 2g96A1 LEU 387 H 0.04 0.17 0.05 -0.55 8.37 8.09 2g96A1 LEU 387 HA 0.06 0.23 0.87 -0.75 4.35 4.76 2g96A1 LEU 387 HB2 0.06 -0.07 0.01 -0.04 1.64 1.61 2g96A1 LEU 387 HB3 0.11 -0.04 -0.08 -0.04 1.64 1.59 2g96A1 LEU 387 HG -0.03 -0.08 -0.15 -0.04 1.64 1.34 2g96A1 LEU 387 HD13 -0.02 -0.02 -0.16 -0.04 0.93 0.68 2g96A1 LEU 387 HD23 -0.03 0.06 -0.32 -0.04 0.89 0.56 2g96A1 GLN 388 H 0.09 -0.03 0.04 -0.55 8.47 8.02 2g96A1 GLN 388 HA 0.15 0.11 0.81 -0.75 4.36 4.68 2g96A1 GLN 388 HB2 0.07 -0.03 -0.01 -0.04 2.15 2.14 2g96A1 GLN 388 HB3 0.07 0.02 0.10 -0.04 2.02 2.17 2g96A1 GLN 388 HG2 0.05 0.09 0.09 -0.04 2.40 2.60 2g96A1 GLN 388 HG3 0.08 -0.34 0.22 -0.04 2.39 2.30 2g96A1 GLN 388 HE21 0.03 -0.01 0.08 -0.04 6.97 7.03 2g96A1 GLN 388 HE22 0.05 0.02 0.08 -0.04 7.69 7.80 2g96A1 LYS 389 H 0.11 0.07 0.13 -0.55 8.42 8.18 2g96A1 LYS 389 HA 0.09 -0.04 0.29 -0.75 4.32 3.90 2g96A1 LYS 389 HB2 0.07 -0.13 -0.29 -0.04 1.87 1.47 2g96A1 LYS 389 HB3 0.08 0.48 0.32 -0.04 1.79 2.63 2g96A1 LYS 389 HG2 0.05 -0.12 0.06 -0.04 1.46 1.42 2g96A1 LYS 389 HG3 0.07 0.02 0.22 -0.04 1.46 1.73 2g96A1 LYS 389 HD2 0.05 0.00 0.03 -0.04 1.69 1.74 2g96A1 LYS 389 HD3 0.04 -0.05 -0.02 -0.04 1.68 1.62 2g96A1 LYS 389 HE2 0.03 -0.04 0.00 -0.04 2.99 2.94 2g96A1 LYS 389 HE3 0.05 0.01 0.03 -0.04 2.99 3.04 2g96A1 LEU 390 H 0.23 0.09 -0.14 -0.55 8.37 8.00 2g96A1 LEU 390 HA 0.21 0.17 0.77 -0.75 4.35 4.73 2g96A1 LEU 390 HB2 0.39 -0.00 -0.18 -0.04 1.64 1.81 2g96A1 LEU 390 HB3 0.50 -0.04 -0.15 -0.04 1.64 1.91 2g96A1 LEU 390 HG 0.08 -0.05 -0.22 -0.04 1.64 1.41 2g96A1 LEU 390 HD13 0.13 0.06 0.03 -0.04 0.93 1.11 2g96A1 LEU 390 HD23 0.11 0.06 -0.55 -0.04 0.89 0.48 2g96A1 THR 391 H 0.16 0.24 0.14 -0.55 8.28 8.26 2g96A1 THR 391 HA -0.33 0.27 1.00 -0.75 4.39 4.58 2g96A1 THR 391 HB -0.21 -0.11 0.06 -0.04 4.32 4.01 2g96A1 THR 391 HG23 -0.04 0.02 -0.14 -0.04 1.22 1.02 2g96A1 ARG 392 H -1.29 0.23 0.13 -0.55 8.46 6.98 2g96A1 ARG 392 HA -0.42 0.07 0.34 -0.75 4.34 3.58 2g96A1 ARG 392 HB2 -1.64 -0.01 0.12 -0.04 1.90 0.34 2g96A1 ARG 392 HB3 -0.57 0.00 0.05 -0.04 1.80 1.24 2g96A1 ARG 392 HG2 -0.20 0.07 -0.02 -0.04 1.67 1.48 2g96A1 ARG 392 HG3 -0.11 -0.09 0.16 -0.04 1.67 1.59 2g96A1 ARG 392 HD2 0.05 0.01 0.04 -0.04 3.22 3.28 2g96A1 ARG 392 HD3 -0.38 -0.10 0.01 -0.04 3.22 2.71 2g96A1 ASP 393 H -0.25 -0.07 -0.63 -0.55 8.40 6.90 2g96A1 ASP 393 HA -0.08 0.12 0.32 -0.75 4.63 4.23 2g96A1 ASP 393 HB2 -0.04 0.03 -0.09 -0.04 2.71 2.57 2g96A1 ASP 393 HB3 -0.05 0.08 0.02 -0.04 2.70 2.70 2g96A1 LEU 394 H 0.01 0.48 -0.15 -0.55 8.37 8.16 2g96A1 LEU 394 HA 0.12 0.05 0.38 -0.75 4.35 4.14 2g96A1 LEU 394 HB2 0.14 0.10 0.22 -0.04 1.64 2.07 2g96A1 LEU 394 HB3 0.16 0.08 0.01 -0.04 1.64 1.85 2g96A1 LEU 394 HG 0.26 0.05 0.06 -0.04 1.64 1.97 2g96A1 LEU 394 HD13 0.09 -0.11 0.08 -0.04 0.93 0.95 2g96A1 LEU 394 HD23 0.17 0.00 0.07 -0.04 0.89 1.09 2g96A1 LEU 395 H 0.11 0.06 -0.06 -0.55 8.37 7.93 2g96A1 LEU 395 HA 0.10 0.32 0.70 -0.75 4.35 4.72 2g96A1 LEU 395 HB2 0.12 -0.09 0.02 -0.04 1.64 1.64 2g96A1 LEU 395 HB3 0.07 0.07 0.10 -0.04 1.64 1.84 2g96A1 LEU 395 HG 0.03 -0.13 -0.01 -0.04 1.64 1.49 2g96A1 LEU 395 HD13 -0.02 -0.00 -0.07 -0.04 0.93 0.80 2g96A1 LEU 395 HD23 -0.11 0.05 -0.18 -0.04 0.89 0.61 2g96A1 ASN 396 H 0.01 0.14 -0.73 -0.55 8.53 7.41 2g96A1 ASN 396 HA -0.05 -0.00 0.25 -0.75 4.76 4.20 2g96A1 ASN 396 HB2 -0.02 0.31 -0.49 -0.04 2.88 2.65 2g96A1 ASN 396 HB3 -0.06 -0.18 0.17 -0.04 2.79 2.67 2g96A1 ASN 396 HD21 -0.01 -0.08 -0.05 -0.04 7.03 6.84 2g96A1 ASN 396 HD22 -0.02 0.05 -0.16 -0.04 7.74 7.57 2g96A1 CYS 397 H 0.01 0.11 -0.16 -0.55 8.50 7.91 2g96A1 CYS 397 HA -0.37 0.18 0.50 -0.75 4.58 4.13 2g96A1 CYS 397 HB2 0.31 -0.11 0.18 -0.04 2.97 3.31 2g96A1 CYS 397 HB3 0.56 -0.02 0.02 -0.04 2.97 3.49 2g96A1 SER 398 H -0.77 0.66 0.52 -0.55 8.46 8.33 2g96A1 SER 398 HA -0.14 0.08 0.94 -0.75 4.49 4.62 2g96A1 SER 398 HB2 -0.16 0.12 -0.23 -0.04 3.95 3.64 2g96A1 SER 398 HB3 -0.26 -0.03 0.08 -0.04 3.93 3.68 2g96A1 PHE 399 H 0.10 0.18 0.13 -0.55 8.34 8.20 2g96A1 PHE 399 HA -0.21 0.40 1.05 -0.75 4.62 5.10 2g96A1 PHE 399 HB2 0.25 -0.03 -0.01 -0.04 3.15 3.32 2g96A1 PHE 399 HB3 0.08 -0.07 0.19 -0.04 3.06 3.22 2g96A1 PHE 399 HD2 0.22 -0.04 -0.21 -0.04 7.28 7.21 2g96A1 PHE 399 HE2 0.23 -0.04 -0.22 -0.04 7.38 7.32 2g96A1 PHE 399 HZ 0.10 0.08 -0.16 -0.04 7.32 7.30 2g96A1 LYS 400 H -0.72 0.46 0.25 -0.55 8.42 7.85 2g96A1 LYS 400 HA 0.00 0.13 0.95 -0.75 4.32 4.65 2g96A1 LYS 400 HB2 -0.23 0.00 -0.02 -0.04 1.87 1.58 2g96A1 LYS 400 HB3 0.06 0.08 -0.06 -0.04 1.79 1.83 2g96A1 LYS 400 HG2 0.03 0.03 0.00 -0.04 1.46 1.48 2g96A1 LYS 400 HG3 0.04 -0.03 0.08 -0.04 1.46 1.50 2g96A1 LYS 400 HD2 0.01 0.21 -0.35 -0.04 1.69 1.52 2g96A1 LYS 400 HD3 -0.09 -0.03 -0.28 -0.04 1.68 1.24 2g96A1 LYS 400 HE2 0.01 0.06 -0.04 -0.04 2.99 2.98 2g96A1 LYS 400 HE3 0.03 -0.03 -0.02 -0.04 2.99 2.93 2g96A1 CYS 401 H 0.08 0.13 0.14 -0.55 8.50 8.30 2g96A1 CYS 401 HA 0.07 0.09 0.78 -0.75 4.58 4.76 2g96A1 CYS 401 HB2 0.16 -0.04 0.05 -0.04 2.97 3.10 2g96A1 CYS 401 HB3 0.13 -0.03 0.11 -0.04 2.97 3.14 2g96A1 SER 402 H 0.22 0.36 0.41 -0.55 8.46 8.90 2g96A1 SER 402 HA 0.21 0.52 1.10 -0.75 4.49 5.57 2g96A1 SER 402 HB2 0.08 -0.16 -0.04 -0.04 3.95 3.79 2g96A1 SER 402 HB3 0.11 0.01 -0.08 -0.04 3.93 3.93 2g96A1 TYR 403 H 0.34 0.42 0.33 -0.55 8.29 8.83 2g96A1 TYR 403 HA 0.08 0.31 1.11 -0.75 4.56 5.31 2g96A1 TYR 403 HB2 0.03 -0.07 -0.44 -0.04 3.06 2.54 2g96A1 TYR 403 HB3 0.13 -0.07 -0.00 -0.04 2.98 3.00 2g96A1 TYR 403 HD2 -0.03 -0.01 -0.13 -0.04 7.15 6.95 2g96A1 TYR 403 HE2 -0.04 0.01 -0.12 -0.04 6.85 6.66 2g96A1 VAL 404 H -0.41 0.57 0.42 -0.55 8.24 8.27 2g96A1 VAL 404 HA -0.15 0.21 0.89 -0.75 4.13 4.33 2g96A1 VAL 404 HB -0.05 -0.01 -0.01 -0.04 2.12 2.00 2g96A1 VAL 404 HG13 -0.06 -0.00 -0.18 -0.04 0.97 0.69 2g96A1 VAL 404 HG23 0.04 0.02 -0.03 -0.04 0.95 0.93 2g96A1 VAL 405 H -0.16 0.44 0.25 -0.55 8.24 8.22 2g96A1 VAL 405 HA -0.22 0.41 1.12 -0.75 4.13 4.68 2g96A1 VAL 405 HB -0.09 -0.11 0.08 -0.04 2.12 1.96 2g96A1 VAL 405 HG13 -0.04 0.02 -0.35 -0.04 0.97 0.56 2g96A1 VAL 405 HG23 -0.24 -0.01 -0.29 -0.04 0.95 0.37 2g96A1 THR 406 H -0.09 0.45 0.10 -0.55 8.28 8.20 2g96A1 THR 406 HA -0.07 0.30 0.95 -0.75 4.39 4.82 2g96A1 THR 406 HB -0.04 -0.00 0.06 -0.04 4.32 4.29 2g96A1 THR 406 HG23 -0.03 0.01 -0.23 -0.04 1.22 0.93 2g96A1 ASN 407 H -0.05 0.69 0.30 -0.55 8.53 8.93 2g96A1 ASN 407 HA -0.03 0.02 0.38 -0.75 4.76 4.38 2g96A1 ASN 407 HB2 -0.02 0.18 -0.04 -0.04 2.88 2.95 2g96A1 ASN 407 HB3 -0.02 -0.03 0.26 -0.04 2.79 2.96 2g96A1 ASN 407 HD21 -0.03 0.03 0.01 -0.04 7.03 6.99 2g96A1 ASN 407 HD22 -0.03 -0.03 0.10 -0.04 7.74 7.74 2g96A1 GLY 408 H -0.03 0.10 -0.33 -0.55 8.43 7.62 2g96A1 GLY 408 HA2 -0.01 -0.03 0.28 -0.51 4.01 3.74 2g96A1 GLY 408 HA3 -0.01 0.18 0.64 -0.51 4.01 4.31 2g96A1 LEU 409 H -0.02 0.34 -0.48 -0.55 8.37 7.66 2g96A1 LEU 409 HA 0.01 0.15 0.91 -0.75 4.35 4.67 2g96A1 LEU 409 HB2 0.01 0.06 0.09 -0.04 1.64 1.76 2g96A1 LEU 409 HB3 0.00 -0.01 0.04 -0.04 1.64 1.63 2g96A1 LEU 409 HG -0.01 0.07 0.03 -0.04 1.64 1.69 2g96A1 LEU 409 HD13 -0.02 -0.01 -0.07 -0.04 0.93 0.79 2g96A1 LEU 409 HD23 0.00 -0.01 0.01 -0.04 0.89 0.85 2g96A1 GLY 410 H 0.04 0.11 0.18 -0.55 8.43 8.21 2g96A1 GLY 410 HA2 -0.28 0.21 0.87 -0.51 4.01 4.30 2g96A1 GLY 410 HA3 0.10 -0.04 0.33 -0.51 4.01 3.89 2g96A1 VAL 411 H -0.37 0.50 0.42 -0.55 8.24 8.24 2g96A1 VAL 411 HA 0.04 0.14 0.84 -0.75 4.13 4.40 2g96A1 VAL 411 HB -0.00 0.04 -0.02 -0.04 2.12 2.10 2g96A1 VAL 411 HG13 -0.03 0.02 -0.27 -0.04 0.97 0.64 2g96A1 VAL 411 HG23 -0.08 0.04 -0.03 -0.04 0.95 0.84 2g96A1 ASN 412 H 0.11 0.20 0.15 -0.55 8.53 8.45 2g96A1 ASN 412 HA 0.23 0.10 0.97 -0.75 4.76 5.32 2g96A1 ASN 412 HB2 0.17 0.02 0.19 -0.04 2.88 3.22 2g96A1 ASN 412 HB3 0.20 0.04 -0.03 -0.04 2.79 2.95 2g96A1 ASN 412 HD21 0.04 -0.02 0.02 -0.04 7.03 7.03 2g96A1 ASN 412 HD22 0.06 0.07 -0.05 -0.04 7.74 7.78 2g96A1 VAL 413 H 0.17 0.50 0.20 -0.55 8.24 8.56 2g96A1 VAL 413 HA -0.11 0.14 0.75 -0.75 4.13 4.16 2g96A1 VAL 413 HB 0.10 -0.10 -0.32 -0.04 2.12 1.76 2g96A1 VAL 413 HG13 0.01 0.04 -0.13 -0.04 0.97 0.86 2g96A1 VAL 413 HG23 0.00 -0.01 -0.23 -0.04 0.95 0.67 2g96A1 PHE 414 H -0.38 0.27 0.21 -0.55 8.34 7.90 2g96A1 PHE 414 HA 0.08 0.11 0.42 -0.75 4.62 4.47 2g96A1 PHE 414 HB2 0.04 0.09 -0.03 -0.04 3.15 3.21 2g96A1 PHE 414 HB3 0.05 0.27 -0.20 -0.04 3.06 3.14 2g96A1 PHE 414 HD2 0.03 0.03 -0.61 -0.04 7.28 6.69 2g96A1 PHE 414 HE2 0.02 -0.01 -0.12 -0.04 7.38 7.23 2g96A1 PHE 414 HZ 0.02 -0.02 -0.06 -0.04 7.32 7.21 2g96A1 LYS 415 H 0.21 0.17 0.24 -0.55 8.42 8.48 2g96A1 LYS 415 HA 0.02 0.16 0.89 -0.75 4.32 4.64 2g96A1 LYS 415 HB2 0.05 -0.02 0.04 -0.04 1.87 1.90 2g96A1 LYS 415 HB3 0.03 0.01 0.03 -0.04 1.79 1.82 2g96A1 LYS 415 HG2 0.08 -0.04 0.10 -0.04 1.46 1.56 2g96A1 LYS 415 HG3 0.09 0.10 -0.03 -0.04 1.46 1.58 2g96A1 LYS 415 HD2 0.04 -0.04 -0.01 -0.04 1.69 1.65 2g96A1 LYS 415 HD3 0.04 0.05 -0.02 -0.04 1.68 1.71 2g96A1 LYS 415 HE2 0.04 0.04 -0.14 -0.04 2.99 2.89 2g96A1 LYS 415 HE3 0.03 -0.04 -0.04 -0.04 2.99 2.89 2g96A1 ASP 416 H 0.10 0.12 -0.05 -0.55 8.40 8.03 2g96A1 ASP 416 HA 0.11 0.16 0.58 -0.75 4.63 4.72 2g96A1 ASP 416 HB2 0.28 0.06 -0.22 -0.04 2.71 2.79 2g96A1 ASP 416 HB3 0.18 -0.04 0.08 -0.04 2.70 2.89 2g96A1 PRO 417 HA 0.03 -0.02 0.46 -0.51 4.44 4.40 2g96A1 PRO 417 HB2 0.02 -0.04 -0.07 -0.04 2.28 2.14 2g96A1 PRO 417 HB3 0.02 0.03 0.06 -0.04 2.02 2.09 2g96A1 PRO 417 HG2 0.03 0.24 0.05 -0.04 2.03 2.30 2g96A1 PRO 417 HG3 0.02 0.05 -0.02 -0.04 2.03 2.04 2g96A1 PRO 417 HD2 0.06 0.18 -0.25 -0.04 3.68 3.63 2g96A1 PRO 417 HD3 0.04 0.05 -0.04 -0.04 3.65 3.66 2g96A1 VAL 418 H 0.02 0.11 0.20 -0.55 8.24 8.02 2g96A1 VAL 418 HA 0.02 0.15 0.39 -0.75 4.13 3.94 2g96A1 VAL 418 HB 0.02 0.03 0.15 -0.04 2.12 2.29 2g96A1 VAL 418 HG13 0.01 0.00 0.01 -0.04 0.97 0.96 2g96A1 VAL 418 HG23 0.01 0.01 -0.02 -0.04 0.95 0.91 2g96A1 ALA 419 H 0.01 0.04 -0.15 -0.55 8.40 7.75 2g96A1 ALA 419 HA 0.01 0.12 0.43 -0.75 4.34 4.14 2g96A1 ALA 419 HB3 0.01 -0.00 0.06 -0.04 1.41 1.44 2g96A1 ASP 420 H 0.01 0.42 -1.05 -0.55 8.40 7.23 2g96A1 ASP 420 HA 0.01 0.11 0.42 -0.75 4.63 4.41 2g96A1 ASP 420 HB2 0.00 0.19 -0.16 -0.04 2.71 2.71 2g96A1 ASP 420 HB3 0.01 -0.08 -0.11 -0.04 2.70 2.47 2g96A1 PRO 421 HA 0.01 0.10 0.48 -0.51 4.44 4.52 2g96A1 PRO 421 HB2 0.00 0.04 0.03 -0.04 2.28 2.31 2g96A1 PRO 421 HB3 0.01 0.06 0.10 -0.04 2.02 2.14 2g96A1 PRO 421 HG2 0.00 0.02 0.03 -0.04 2.03 2.04 2g96A1 PRO 421 HG3 0.00 0.06 0.04 -0.04 2.03 2.09 2g96A1 PRO 421 HD2 0.00 0.11 0.12 -0.04 3.68 3.88 2g96A1 PRO 421 HD3 0.01 0.23 0.06 -0.04 3.65 3.91 2g96A1 ASN 422 H 0.00 0.12 -0.28 -0.55 8.53 7.82 2g96A1 ASN 422 HA -0.00 0.12 0.42 -0.75 4.76 4.54 2g96A1 ASN 422 HB2 -0.00 -0.05 0.04 -0.04 2.88 2.84 2g96A1 ASN 422 HB3 -0.00 0.03 -0.03 -0.04 2.79 2.75 2g96A1 ASN 422 HD21 -0.00 0.18 0.00 -0.04 7.03 7.17 2g96A1 ASN 422 HD22 -0.00 -0.05 -0.00 -0.04 7.74 7.65 2g96A1 LYS 423 H 0.01 0.15 -0.83 -0.55 8.42 7.20 2g96A1 LYS 423 HA 0.01 0.21 0.84 -0.75 4.32 4.61 2g96A1 LYS 423 HB2 0.02 0.17 -0.01 -0.04 1.87 2.01 2g96A1 LYS 423 HB3 0.02 -0.08 -0.05 -0.04 1.79 1.65 2g96A1 LYS 423 HG2 -0.00 0.06 -0.08 -0.04 1.46 1.39 2g96A1 LYS 423 HG3 0.00 -0.05 -0.26 -0.04 1.46 1.11 2g96A1 LYS 423 HD2 0.01 -0.03 -0.07 -0.04 1.69 1.56 2g96A1 LYS 423 HD3 0.01 -0.03 -0.05 -0.04 1.68 1.56 2g96A1 LYS 423 HE2 -0.01 0.03 -0.07 -0.04 2.99 2.90 2g96A1 LYS 423 HE3 -0.01 0.00 -0.09 -0.04 2.99 2.86 2g96A1 ARG 424 H 0.03 0.15 -0.02 -0.55 8.46 8.07 2g96A1 ARG 424 HA 0.09 0.24 0.62 -0.75 4.34 4.54 2g96A1 ARG 424 HB2 -0.00 -0.01 0.12 -0.04 1.90 1.97 2g96A1 ARG 424 HB3 -0.02 0.03 0.05 -0.04 1.80 1.81 2g96A1 ARG 424 HG2 0.03 -0.06 0.12 -0.04 1.67 1.72 2g96A1 ARG 424 HG3 0.02 -0.04 0.24 -0.04 1.67 1.85 2g96A1 ARG 424 HD2 -0.01 0.11 0.13 -0.04 3.22 3.40 2g96A1 ARG 424 HD3 -0.03 -0.03 0.04 -0.04 3.22 3.15 2g96A1 SER 425 H 0.17 0.32 0.40 -0.55 8.46 8.80 2g96A1 SER 425 HA 0.13 0.13 0.74 -0.75 4.49 4.74 2g96A1 SER 425 HB2 0.26 0.02 0.12 -0.04 3.95 4.30 2g96A1 SER 425 HB3 0.12 0.03 0.15 -0.04 3.93 4.19 2g96A1 LYS 426 H 0.30 0.05 0.11 -0.55 8.42 8.32 2g96A1 LYS 426 HA -0.07 0.09 0.49 -0.75 4.32 4.06 2g96A1 LYS 426 HB2 -0.87 -0.05 0.02 -0.04 1.87 0.93 2g96A1 LYS 426 HB3 -0.35 -0.02 -0.04 -0.04 1.79 1.34 2g96A1 LYS 426 HG2 -0.12 0.03 -0.01 -0.04 1.46 1.32 2g96A1 LYS 426 HG3 -0.01 0.01 -0.01 -0.04 1.46 1.41 2g96A1 LYS 426 HD2 -0.17 -0.05 -0.10 -0.04 1.69 1.33 2g96A1 LYS 426 HD3 -0.35 -0.07 -0.09 -0.04 1.68 1.12 2g96A1 LYS 426 HE2 -0.04 0.05 0.05 -0.04 2.99 3.01 2g96A1 LYS 426 HE3 -0.09 -0.04 0.01 -0.04 2.99 2.83 2g96A1 LYS 427 H -0.08 0.10 0.16 -0.55 8.42 8.04 2g96A1 LYS 427 HA 0.16 0.49 1.22 -0.75 4.32 5.43 2g96A1 LYS 427 HB2 0.28 -0.05 -0.12 -0.04 1.87 1.94 2g96A1 LYS 427 HB3 0.13 0.10 -0.22 -0.04 1.79 1.76 2g96A1 LYS 427 HG2 -0.13 -0.03 0.09 -0.04 1.46 1.35 2g96A1 LYS 427 HG3 -0.02 -0.12 -0.04 -0.04 1.46 1.24 2g96A1 LYS 427 HD2 -0.12 -0.04 -0.04 -0.04 1.69 1.46 2g96A1 LYS 427 HD3 0.02 0.02 -0.08 -0.04 1.68 1.60 2g96A1 LYS 427 HE2 -1.61 0.06 -0.14 -0.04 2.99 1.26 2g96A1 LYS 427 HE3 -0.55 0.01 -0.05 -0.04 2.99 2.36 2g96A1 GLY 428 H 0.17 0.91 0.43 -0.55 8.43 9.39 2g96A1 GLY 428 HA2 0.17 0.05 0.38 -0.51 4.01 4.10 2g96A1 GLY 428 HA3 0.01 -0.03 0.70 -0.51 4.01 4.17 2g96A1 ARG 429 H -0.29 0.09 0.12 -0.55 8.46 7.83 2g96A1 ARG 429 HA -0.50 0.11 0.60 -0.75 4.34 3.78 2g96A1 ARG 429 HB2 -0.42 -0.09 0.14 -0.04 1.90 1.49 2g96A1 ARG 429 HB3 -0.49 0.14 -0.03 -0.04 1.80 1.38 2g96A1 ARG 429 HG2 -1.17 0.03 -0.05 -0.04 1.67 0.44 2g96A1 ARG 429 HG3 -1.59 -0.08 -0.06 -0.04 1.67 -0.10 2g96A1 ARG 429 HD2 -0.73 0.02 -0.07 -0.04 3.22 2.40 2g96A1 ARG 429 HD3 -0.72 0.01 -0.04 -0.04 3.22 2.43 2g96A1 LEU 430 H 0.26 0.13 0.09 -0.55 8.37 8.30 2g96A1 LEU 430 HA -0.07 0.41 0.75 -0.75 4.35 4.68 2g96A1 LEU 430 HB2 -0.01 -0.06 -0.08 -0.04 1.64 1.45 2g96A1 LEU 430 HB3 -0.12 0.04 -0.03 -0.04 1.64 1.49 2g96A1 LEU 430 HG -0.07 0.06 -0.17 -0.04 1.64 1.41 2g96A1 LEU 430 HD13 -0.86 -0.00 -0.12 -0.04 0.93 -0.09 2g96A1 LEU 430 HD23 -0.21 -0.02 -0.28 -0.04 0.89 0.33 2g96A1 SER 431 H -0.07 0.55 0.26 -0.55 8.46 8.66 2g96A1 SER 431 HA -0.08 0.07 0.56 -0.75 4.49 4.28 2g96A1 SER 431 HB2 -0.10 0.07 -0.01 -0.04 3.95 3.86 2g96A1 SER 431 HB3 0.03 0.07 -0.21 -0.04 3.93 3.78 2g96A1 LEU 432 H -0.25 0.09 0.14 -0.55 8.37 7.80 2g96A1 LEU 432 HA -0.17 0.18 0.96 -0.75 4.35 4.57 2g96A1 LEU 432 HB2 -0.11 0.02 0.04 -0.04 1.64 1.54 2g96A1 LEU 432 HB3 -0.12 -0.17 0.13 -0.04 1.64 1.44 2g96A1 LEU 432 HG -0.08 0.08 -0.05 -0.04 1.64 1.55 2g96A1 LEU 432 HD13 0.21 0.03 -0.26 -0.04 0.93 0.87 2g96A1 LEU 432 HD23 -0.04 0.01 -0.05 -0.04 0.89 0.77 2g96A1 HIS 433 H -0.02 0.79 0.43 -0.55 8.41 9.06 2g96A1 HIS 433 HA 0.05 0.25 1.09 -0.75 4.63 5.26 2g96A1 HIS 433 HB2 -0.05 -0.11 -0.06 -0.04 3.26 3.00 2g96A1 HIS 433 HB3 0.09 0.38 0.07 -0.04 3.20 3.70 2g96A1 HIS 433 HD2 -0.10 -0.09 -0.19 -0.04 6.97 6.55 2g96A1 HIS 433 HE1 0.03 -0.09 -0.27 -0.04 7.75 7.38 2g96A1 ARG 434 H 0.13 0.24 0.17 -0.55 8.46 8.44 2g96A1 ARG 434 HA -0.22 0.27 0.81 -0.75 4.34 4.45 2g96A1 ARG 434 HB2 -0.08 -0.06 0.12 -0.04 1.90 1.83 2g96A1 ARG 434 HB3 -0.01 -0.07 0.13 -0.04 1.80 1.80 2g96A1 ARG 434 HG2 -0.10 0.20 -0.12 -0.04 1.67 1.61 2g96A1 ARG 434 HG3 -0.28 0.31 0.09 -0.04 1.67 1.74 2g96A1 ARG 434 HD2 -0.05 -0.07 0.00 -0.04 3.22 3.06 2g96A1 ARG 434 HD3 -0.10 -0.00 0.05 -0.04 3.22 3.13 2g96A1 THR 435 H -0.08 0.47 -0.16 -0.55 8.28 7.96 2g96A1 THR 435 HA 0.24 0.12 0.28 -0.75 4.39 4.28 2g96A1 THR 435 HB 0.10 0.04 0.00 -0.04 4.32 4.41 2g96A1 THR 435 HG23 0.04 0.04 -0.52 -0.04 1.22 0.74 2g96A1 PRO 436 HA -0.05 0.18 0.53 -0.51 4.44 4.59 2g96A1 PRO 436 HB2 -0.06 0.02 0.07 -0.04 2.28 2.27 2g96A1 PRO 436 HB3 -0.11 0.07 0.09 -0.04 2.02 2.04 2g96A1 PRO 436 HG2 -0.02 0.01 -0.02 -0.04 2.03 1.96 2g96A1 PRO 436 HG3 -0.08 0.05 0.03 -0.04 2.03 1.99 2g96A1 PRO 436 HD2 0.07 0.05 0.14 -0.04 3.68 3.90 2g96A1 PRO 436 HD3 -0.07 0.19 0.10 -0.04 3.65 3.83 2g96A1 ALA 437 H -0.01 0.03 -0.46 -0.55 8.40 7.41 2g96A1 ALA 437 HA -0.02 0.24 0.76 -0.75 4.34 4.57 2g96A1 ALA 437 HB3 -0.00 -0.00 0.06 -0.04 1.41 1.42 2g96A1 GLY 438 H -0.06 0.34 -0.54 -0.55 8.43 7.63 2g96A1 GLY 438 HA2 -0.10 0.05 0.31 -0.51 4.01 3.77 2g96A1 GLY 438 HA3 -0.06 0.13 0.54 -0.51 4.01 4.10 2g96A1 THR 439 H -0.06 0.07 -0.59 -0.55 8.28 7.16 2g96A1 THR 439 HA -0.11 0.15 0.36 -0.75 4.39 4.03 2g96A1 THR 439 HB 0.03 0.01 0.07 -0.04 4.32 4.39 2g96A1 THR 439 HG23 0.17 -0.07 0.15 -0.04 1.22 1.42 2g96A1 PHE 440 H 0.21 0.16 0.19 -0.55 8.34 8.35 2g96A1 PHE 440 HA 0.03 0.35 1.27 -0.75 4.62 5.51 2g96A1 PHE 440 HB2 -0.00 -0.02 0.02 -0.04 3.15 3.10 2g96A1 PHE 440 HB3 -0.02 -0.06 0.04 -0.04 3.06 2.98 2g96A1 PHE 440 HD2 -0.00 -0.07 -0.05 -0.04 7.28 7.11 2g96A1 PHE 440 HE2 0.00 0.01 -0.03 -0.04 7.38 7.32 2g96A1 PHE 440 HZ 0.01 0.02 -0.03 -0.04 7.32 7.27 2g96A1 VAL 441 H 0.16 0.61 0.30 -0.55 8.24 8.75 2g96A1 VAL 441 HA 0.01 0.12 0.69 -0.75 4.13 4.20 2g96A1 VAL 441 HB -0.14 0.01 -0.13 -0.04 2.12 1.81 2g96A1 VAL 441 HG13 -0.26 -0.02 -0.31 -0.04 0.97 0.34 2g96A1 VAL 441 HG23 0.01 -0.01 -0.33 -0.04 0.95 0.57 2g96A1 THR 442 H -0.04 0.26 0.08 -0.55 8.28 8.03 2g96A1 THR 442 HA -0.07 0.16 0.88 -0.75 4.39 4.61 2g96A1 THR 442 HB -0.06 0.08 0.19 -0.04 4.32 4.48 2g96A1 THR 442 HG23 -0.11 0.01 -0.10 -0.04 1.22 0.98 2g96A1 LEU 443 H -0.04 0.66 0.28 -0.55 8.37 8.72 2g96A1 LEU 443 HA -0.10 0.12 0.71 -0.75 4.35 4.32 2g96A1 LEU 443 HB2 0.12 0.00 0.02 -0.04 1.64 1.74 2g96A1 LEU 443 HB3 -0.04 -0.04 -0.13 -0.04 1.64 1.39 2g96A1 LEU 443 HG -0.22 0.00 -0.29 -0.04 1.64 1.10 2g96A1 LEU 443 HD13 -0.24 0.02 -0.22 -0.04 0.93 0.45 2g96A1 LEU 443 HD23 -0.33 0.01 -0.11 -0.04 0.89 0.42 2g96A1 GLU 444 H -0.08 0.15 0.12 -0.55 8.60 8.25 2g96A1 GLU 444 HA -0.09 0.18 0.72 -0.75 4.29 4.35 2g96A1 GLU 444 HB2 -0.07 -0.01 0.06 -0.04 2.09 2.03 2g96A1 GLU 444 HB3 -0.07 0.21 0.20 -0.04 1.99 2.28 2g96A1 GLU 444 HG2 -0.14 -0.01 -0.14 -0.04 2.34 2.01 2g96A1 GLU 444 HG3 -0.10 0.07 -0.15 -0.04 2.34 2.11 2g96A1 GLU 445 H -0.06 0.48 0.19 -0.55 8.60 8.67 2g96A1 GLU 445 HA -0.06 -0.14 0.44 -0.75 4.29 3.77 2g96A1 GLU 445 HB2 -0.03 0.07 -0.00 -0.04 2.09 2.08 2g96A1 GLU 445 HB3 -0.02 0.01 0.17 -0.04 1.99 2.11 2g96A1 GLU 445 HG2 0.01 -0.01 -0.01 -0.04 2.34 2.28 2g96A1 GLU 445 HG3 -0.03 0.13 0.03 -0.04 2.34 2.42 2g96A1 GLY 446 H -0.14 0.58 -0.05 -0.55 8.43 8.28 2g96A1 GLY 446 HA2 -0.13 0.05 0.23 -0.51 4.01 3.66 2g96A1 GLY 446 HA3 -0.13 0.03 0.30 -0.51 4.01 3.70 2g96A1 LYS 447 H -0.05 0.64 -0.75 -0.55 8.42 7.71 2g96A1 LYS 447 HA -0.02 0.05 0.33 -0.75 4.32 3.92 2g96A1 LYS 447 HB2 -0.04 0.03 0.02 -0.04 1.87 1.85 2g96A1 LYS 447 HB3 -0.02 -0.07 0.01 -0.04 1.79 1.68 2g96A1 LYS 447 HG2 -0.02 -0.04 0.05 -0.04 1.46 1.41 2g96A1 LYS 447 HG3 -0.03 0.17 0.05 -0.04 1.46 1.61 2g96A1 LYS 447 HD2 -0.04 -0.06 -0.01 -0.04 1.69 1.55 2g96A1 LYS 447 HD3 -0.01 -0.03 -0.00 -0.04 1.68 1.59 2g96A1 LYS 447 HE2 -0.01 -0.01 -0.00 -0.04 2.99 2.93 2g96A1 LYS 447 HE3 -0.03 0.00 -0.04 -0.04 2.99 2.89 2g96A1 GLY 448 H 0.01 0.11 -0.73 -0.55 8.43 7.27 2g96A1 GLY 448 HA2 -0.06 0.07 0.24 -0.51 4.01 3.75 2g96A1 GLY 448 HA3 0.26 0.02 0.11 -0.51 4.01 3.89 2g96A1 ASP 449 H -0.01 0.58 -0.59 -0.55 8.40 7.83 2g96A1 ASP 449 HA 0.01 0.10 0.57 -0.75 4.63 4.56 2g96A1 ASP 449 HB2 -0.02 0.23 0.09 -0.04 2.71 2.96 2g96A1 ASP 449 HB3 -0.01 -0.04 0.05 -0.04 2.70 2.65 2g96A1 LEU 450 H -0.02 0.55 -0.26 -0.55 8.37 8.09 2g96A1 LEU 450 HA -0.02 0.14 0.58 -0.75 4.35 4.30 2g96A1 LEU 450 HB2 -0.00 0.09 0.10 -0.04 1.64 1.79 2g96A1 LEU 450 HB3 -0.01 -0.04 0.19 -0.04 1.64 1.74 2g96A1 LEU 450 HG -0.01 -0.01 0.03 -0.04 1.64 1.60 2g96A1 LEU 450 HD13 0.00 -0.00 0.05 -0.04 0.93 0.93 2g96A1 LEU 450 HD23 -0.01 0.01 -0.02 -0.04 0.89 0.82 2g96A1 GLU 451 H -0.05 0.22 -0.74 -0.55 8.60 7.48 2g96A1 GLU 451 HA -0.09 0.16 0.22 -0.75 4.29 3.82 2g96A1 GLU 451 HB2 -0.06 0.08 -0.05 -0.04 2.09 2.02 2g96A1 GLU 451 HB3 -0.07 -0.03 -0.01 -0.04 1.99 1.84 2g96A1 GLU 451 HG2 -0.02 -0.04 -0.66 -0.04 2.34 1.58 2g96A1 GLU 451 HG3 -0.02 -0.03 -0.14 -0.04 2.34 2.10 2g96A1 GLU 452 H -0.05 0.72 -0.91 -0.55 8.60 7.81 2g96A1 GLU 452 HA -0.13 0.01 0.34 -0.75 4.29 3.75 2g96A1 GLU 452 HB2 -0.16 -0.01 -0.07 -0.04 2.09 1.80 2g96A1 GLU 452 HB3 -0.06 0.02 0.08 -0.04 1.99 1.99 2g96A1 GLU 452 HG2 0.00 -0.05 -0.20 -0.04 2.34 2.05 2g96A1 GLU 452 HG3 0.17 -0.06 -0.20 -0.04 2.34 2.21 2g96A1 TYR 453 H -0.04 0.03 -0.64 -0.55 8.29 7.08 2g96A1 TYR 453 HA -0.12 0.22 0.97 -0.75 4.56 4.87 2g96A1 TYR 453 HB2 -0.39 -0.06 -0.06 -0.04 3.06 2.50 2g96A1 TYR 453 HB3 -0.08 0.03 0.02 -0.04 2.98 2.92 2g96A1 TYR 453 HD2 -0.07 0.04 -0.23 -0.04 7.15 6.84 2g96A1 TYR 453 HE2 -0.03 -0.04 -0.11 -0.04 6.85 6.63 2g96A1 GLY 454 H -0.15 0.24 -0.16 -0.55 8.43 7.81 2g96A1 GLY 454 HA2 -0.28 -0.02 0.32 -0.51 4.01 3.51 2g96A1 GLY 454 HA3 -0.09 0.01 0.40 -0.51 4.01 3.82 2g96A1 HIS 455 H -0.02 0.06 0.18 -0.55 8.41 8.08 2g96A1 HIS 455 HA 0.12 0.14 0.71 -0.75 4.63 4.85 2g96A1 HIS 455 HB2 0.08 0.02 0.00 -0.04 3.26 3.33 2g96A1 HIS 455 HB3 0.09 0.01 0.09 -0.04 3.20 3.34 2g96A1 HIS 455 HD2 0.05 0.02 0.03 -0.04 6.97 7.02 2g96A1 HIS 455 HE1 0.02 -0.01 -0.04 -0.04 7.75 7.68 2g96A1 ASP 456 H 0.25 0.09 0.15 -0.55 8.40 8.34 2g96A1 ASP 456 HA -0.17 0.27 0.63 -0.75 4.63 4.60 2g96A1 ASP 456 HB2 0.13 0.01 0.11 -0.04 2.71 2.93 2g96A1 ASP 456 HB3 0.08 0.03 0.19 -0.04 2.70 2.96 2g96A1 LEU 457 H -0.09 0.71 0.36 -0.55 8.37 8.81 2g96A1 LEU 457 HA -0.13 0.10 0.46 -0.75 4.35 4.03 2g96A1 LEU 457 HB2 0.00 -0.06 -0.03 -0.04 1.64 1.52 2g96A1 LEU 457 HB3 -0.00 -0.01 0.09 -0.04 1.64 1.68 2g96A1 LEU 457 HG 0.06 0.24 0.13 -0.04 1.64 2.03 2g96A1 LEU 457 HD13 0.15 -0.03 -0.15 -0.04 0.93 0.86 2g96A1 LEU 457 HD23 0.08 -0.01 -0.04 -0.04 0.89 0.87 2g96A1 LEU 458 H -0.11 -0.05 -0.25 -0.55 8.37 7.41 2g96A1 LEU 458 HA -0.11 0.14 0.13 -0.75 4.35 3.76 2g96A1 LEU 458 HB2 -0.03 -0.05 -0.01 -0.04 1.64 1.51 2g96A1 LEU 458 HB3 0.01 -0.08 -0.31 -0.04 1.64 1.21 2g96A1 LEU 458 HG -0.09 -0.07 -0.08 -0.04 1.64 1.35 2g96A1 LEU 458 HD13 -0.01 -0.01 -0.29 -0.04 0.93 0.58 2g96A1 LEU 458 HD23 -0.10 0.07 -0.37 -0.04 0.89 0.45 2g96A1 HIS 459 H 0.03 0.78 0.24 -0.55 8.41 8.91 2g96A1 HIS 459 HA 0.07 0.13 0.82 -0.75 4.63 4.90 2g96A1 HIS 459 HB2 0.16 0.06 0.09 -0.04 3.26 3.53 2g96A1 HIS 459 HB3 0.11 0.07 -0.03 -0.04 3.20 3.31 2g96A1 HIS 459 HD2 0.06 -0.02 -0.05 -0.04 6.97 6.92 2g96A1 HIS 459 HE1 0.13 -0.03 0.03 -0.04 7.75 7.83 2g96A1 THR 460 H 0.17 0.15 0.14 -0.55 8.28 8.19 2g96A1 THR 460 HA 0.12 0.07 0.45 -0.75 4.39 4.28 2g96A1 THR 460 HB 0.08 0.04 0.13 -0.04 4.32 4.53 2g96A1 THR 460 HG23 0.06 -0.01 -0.21 -0.04 1.22 1.02 2g96A1 VAL 461 H 0.14 0.70 0.49 -0.55 8.24 9.02 2g96A1 VAL 461 HA 0.12 0.17 0.85 -0.75 4.13 4.52 2g96A1 VAL 461 HB 0.15 -0.03 0.13 -0.04 2.12 2.33 2g96A1 VAL 461 HG13 0.23 0.09 -0.17 -0.04 0.97 1.07 2g96A1 VAL 461 HG23 0.12 0.03 -0.09 -0.04 0.95 0.97 2g96A1 PHE 462 H 0.17 0.17 0.26 -0.55 8.34 8.38 2g96A1 PHE 462 HA 0.00 0.23 0.79 -0.75 4.62 4.88 2g96A1 PHE 462 HB2 -0.01 0.04 -0.22 -0.04 3.15 2.92 2g96A1 PHE 462 HB3 -0.00 -0.08 0.03 -0.04 3.06 2.96 2g96A1 PHE 462 HD2 -0.02 0.02 -0.28 -0.04 7.28 6.96 2g96A1 PHE 462 HE2 -0.04 0.01 -0.22 -0.04 7.38 7.10 2g96A1 PHE 462 HZ -0.04 0.26 -0.15 -0.04 7.32 7.36 2g96A1 LYS 463 H -0.49 0.66 0.21 -0.55 8.42 8.25 2g96A1 LYS 463 HA -0.10 0.11 0.94 -0.75 4.32 4.52 2g96A1 LYS 463 HB2 -0.05 -0.04 -0.13 -0.04 1.87 1.60 2g96A1 LYS 463 HB3 -0.12 0.08 0.06 -0.04 1.79 1.76 2g96A1 LYS 463 HG2 -0.04 0.02 -0.03 -0.04 1.46 1.36 2g96A1 LYS 463 HG3 -0.08 0.03 -0.11 -0.04 1.46 1.27 2g96A1 LYS 463 HD2 -0.03 -0.04 0.07 -0.04 1.69 1.65 2g96A1 LYS 463 HD3 0.01 -0.02 0.05 -0.04 1.68 1.67 2g96A1 LYS 463 HE2 -0.02 0.01 -0.03 -0.04 2.99 2.91 2g96A1 LYS 463 HE3 0.01 -0.02 -0.03 -0.04 2.99 2.91 2g96A1 ASN 464 H -0.15 0.20 0.14 -0.55 8.53 8.18 2g96A1 ASN 464 HA -0.18 0.12 0.52 -0.75 4.76 4.47 2g96A1 ASN 464 HB2 -0.11 0.06 -0.04 -0.04 2.88 2.76 2g96A1 ASN 464 HB3 -0.14 0.04 0.05 -0.04 2.79 2.71 2g96A1 ASN 464 HD21 -0.06 0.01 -0.05 -0.04 7.03 6.90 2g96A1 ASN 464 HD22 -0.07 0.04 -0.12 -0.04 7.74 7.56 2g96A1 GLY 465 H -0.33 0.18 0.03 -0.55 8.43 7.77 2g96A1 GLY 465 HA2 0.09 0.06 0.34 -0.51 4.01 3.99 2g96A1 GLY 465 HA3 -0.05 0.04 0.42 -0.51 4.01 3.92 2g96A1 LYS 466 H -0.73 0.48 -0.39 -0.55 8.42 7.23 2g96A1 LYS 466 HA -0.15 0.06 1.07 -0.75 4.32 4.55 2g96A1 LYS 466 HB2 -0.14 0.14 0.05 -0.04 1.87 1.88 2g96A1 LYS 466 HB3 -0.09 -0.00 -0.09 -0.04 1.79 1.57 2g96A1 LYS 466 HG2 0.07 0.10 -0.27 -0.04 1.46 1.31 2g96A1 LYS 466 HG3 0.01 -0.04 -0.02 -0.04 1.46 1.37 2g96A1 LYS 466 HD2 -0.02 -0.02 0.10 -0.04 1.69 1.71 2g96A1 LYS 466 HD3 -0.05 0.04 0.36 -0.04 1.68 2.00 2g96A1 LYS 466 HE2 0.13 -0.01 0.09 -0.04 2.99 3.16 2g96A1 LYS 466 HE3 0.12 -0.01 0.03 -0.04 2.99 3.08 2g96A1 VAL 467 H -0.04 0.16 0.13 -0.55 8.24 7.94 2g96A1 VAL 467 HA 0.07 0.18 0.57 -0.75 4.13 4.19 2g96A1 VAL 467 HB 0.00 -0.01 0.19 -0.04 2.12 2.27 2g96A1 VAL 467 HG13 0.01 0.02 -0.15 -0.04 0.97 0.81 2g96A1 VAL 467 HG23 0.09 0.01 0.02 -0.04 0.95 1.04 2g96A1 THR 468 H 0.00 0.30 0.05 -0.55 8.28 8.09 2g96A1 THR 468 HA -0.03 0.12 0.53 -0.75 4.39 4.26 2g96A1 THR 468 HB -0.01 0.01 -0.01 -0.04 4.32 4.27 2g96A1 THR 468 HG23 -0.07 0.05 -0.09 -0.04 1.22 1.07 2g96A1 LYS 469 H 0.03 0.17 -0.14 -0.55 8.42 7.93 2g96A1 LYS 469 HA -0.06 0.03 0.45 -0.75 4.32 3.99 2g96A1 LYS 469 HB2 -0.02 0.21 -0.06 -0.04 1.87 1.96 2g96A1 LYS 469 HB3 0.09 -0.02 0.02 -0.04 1.79 1.84 2g96A1 LYS 469 HG2 -0.22 0.01 -0.23 -0.04 1.46 0.98 2g96A1 LYS 469 HG3 -0.18 -0.01 0.10 -0.04 1.46 1.33 2g96A1 LYS 469 HD2 -0.04 0.03 -0.04 -0.04 1.69 1.60 2g96A1 LYS 469 HD3 0.26 -0.05 -0.09 -0.04 1.68 1.76 2g96A1 LYS 469 HE2 -0.27 -0.01 0.02 -0.04 2.99 2.70 2g96A1 LYS 469 HE3 -0.27 -0.01 0.00 -0.04 2.99 2.67 2g96A1 SER 470 H -0.12 0.20 0.16 -0.55 8.46 8.16 2g96A1 SER 470 HA 0.10 0.16 0.99 -0.75 4.49 4.99 2g96A1 SER 470 HB2 -0.02 0.06 0.12 -0.04 3.95 4.07 2g96A1 SER 470 HB3 -0.02 -0.02 -0.07 -0.04 3.93 3.78 2g96A1 TYR 471 H 0.23 0.22 0.24 -0.55 8.29 8.43 2g96A1 TYR 471 HA 0.08 0.15 1.00 -0.75 4.56 5.05 2g96A1 TYR 471 HB2 0.21 -0.08 0.16 -0.04 3.06 3.30 2g96A1 TYR 471 HB3 0.14 0.03 0.11 -0.04 2.98 3.23 2g96A1 TYR 471 HD2 0.10 -0.03 -0.06 -0.04 7.15 7.12 2g96A1 TYR 471 HE2 0.12 0.07 -0.07 -0.04 6.85 6.93 2g96A1 SER 472 H 0.15 0.07 0.22 -0.55 8.46 8.35 2g96A1 SER 472 HA 0.22 0.67 0.76 -0.75 4.49 5.39 2g96A1 SER 472 HB2 0.13 0.09 0.19 -0.04 3.95 4.32 2g96A1 SER 472 HB3 0.09 0.05 0.17 -0.04 3.93 4.20 2g96A1 PHE 473 H 0.35 0.97 0.22 -0.55 8.34 9.32 2g96A1 PHE 473 HA 0.07 0.06 0.46 -0.75 4.62 4.46 2g96A1 PHE 473 HB2 0.10 0.04 -0.02 -0.04 3.15 3.23 2g96A1 PHE 473 HB3 0.02 -0.02 -0.02 -0.04 3.06 2.99 2g96A1 PHE 473 HD2 -0.23 -0.03 -0.05 -0.04 7.28 6.92 2g96A1 PHE 473 HE2 -0.51 0.07 -0.12 -0.04 7.38 6.78 2g96A1 PHE 473 HZ -0.40 0.10 -0.30 -0.04 7.32 6.69 2g96A1 ASP 474 H 0.12 0.09 -0.19 -0.55 8.40 7.87 2g96A1 ASP 474 HA -0.06 0.19 0.47 -0.75 4.63 4.48 2g96A1 ASP 474 HB2 0.05 -0.00 0.02 -0.04 2.71 2.73 2g96A1 ASP 474 HB3 0.02 0.08 0.08 -0.04 2.70 2.83 2g96A1 GLU 475 H 0.08 0.14 -0.38 -0.55 8.60 7.89 2g96A1 GLU 475 HA 0.04 0.10 0.53 -0.75 4.29 4.21 2g96A1 GLU 475 HB2 0.23 0.10 0.18 -0.04 2.09 2.55 2g96A1 GLU 475 HB3 0.23 0.07 0.04 -0.04 1.99 2.29 2g96A1 GLU 475 HG2 0.09 0.05 0.03 -0.04 2.34 2.47 2g96A1 GLU 475 HG3 0.11 -0.13 0.12 -0.04 2.34 2.40 2g96A1 VAL 476 H 0.06 0.40 -0.02 -0.55 8.24 8.13 2g96A1 VAL 476 HA -0.05 0.20 0.17 -0.75 4.13 3.70 2g96A1 VAL 476 HB -0.38 0.07 0.09 -0.04 2.12 1.86 2g96A1 VAL 476 HG13 -0.35 -0.00 -0.15 -0.04 0.97 0.42 2g96A1 VAL 476 HG23 0.25 -0.01 -0.08 -0.04 0.95 1.07 2g96A1 ARG 477 H -0.37 0.37 -0.47 -0.55 8.46 7.44 2g96A1 ARG 477 HA -0.38 0.15 0.35 -0.75 4.34 3.72 2g96A1 ARG 477 HB2 -0.25 -0.07 0.14 -0.04 1.90 1.68 2g96A1 ARG 477 HB3 -0.21 -0.04 -0.05 -0.04 1.80 1.46 2g96A1 ARG 477 HG2 -0.40 0.26 0.08 -0.04 1.67 1.57 2g96A1 ARG 477 HG3 -0.86 -0.03 0.08 -0.04 1.67 0.82 2g96A1 ARG 477 HD2 -0.16 -0.15 -0.07 -0.04 3.22 2.80 2g96A1 ARG 477 HD3 -0.14 -0.06 -0.04 -0.04 3.22 2.93 2g96A1 LYS 478 H -0.10 0.35 -0.13 -0.55 8.42 7.98 2g96A1 LYS 478 HA -0.07 -0.02 0.40 -0.75 4.32 3.88 2g96A1 LYS 478 HB2 -0.03 -0.01 0.19 -0.04 1.87 1.99 2g96A1 LYS 478 HB3 -0.01 0.00 0.23 -0.04 1.79 1.97 2g96A1 LYS 478 HG2 0.00 -0.08 0.01 -0.04 1.46 1.35 2g96A1 LYS 478 HG3 -0.00 0.03 -0.20 -0.04 1.46 1.24 2g96A1 LYS 478 HD2 -0.04 0.05 0.15 -0.04 1.69 1.81 2g96A1 LYS 478 HD3 -0.03 -0.05 0.05 -0.04 1.68 1.62 2g96A1 LYS 478 HE2 -0.01 0.02 -0.04 -0.04 2.99 2.93 2g96A1 LYS 478 HE3 -0.02 0.02 0.00 -0.04 2.99 2.95 2g96A1 ASN 479 H -0.04 0.54 -0.05 -0.55 8.53 8.44 2g96A1 ASN 479 HA -0.00 -0.06 0.31 -0.75 4.76 4.25 2g96A1 ASN 479 HB2 -0.04 0.10 -0.01 -0.04 2.88 2.89 2g96A1 ASN 479 HB3 -0.00 -0.10 -0.29 -0.04 2.79 2.36 2g96A1 ASN 479 HD21 0.11 -0.19 -0.13 -0.04 7.03 6.78 2g96A1 ASN 479 HD22 -0.01 0.26 -0.16 -0.04 7.74 7.79 2g96A1 ALA 480 H -0.12 0.42 -0.37 -0.55 8.40 7.79 2g96A1 ALA 480 HA -0.07 0.09 0.63 -0.75 4.34 4.23 2g96A1 ALA 480 HB3 -0.17 -0.05 0.09 -0.04 1.41 1.23 2g96A1 GLN 481 H -0.09 0.56 -0.27 -0.55 8.47 8.13 2g96A1 GLN 481 HA -0.13 -0.10 0.41 -0.75 4.36 3.79 2g96A1 GLN 481 HB2 -0.08 -0.06 0.22 -0.04 2.15 2.18 2g96A1 GLN 481 HB3 -0.05 0.12 0.16 -0.04 2.02 2.20 2g96A1 GLN 481 HG2 -0.05 -0.10 0.02 -0.04 2.40 2.24 2g96A1 GLN 481 HG3 -0.05 0.27 -0.09 -0.04 2.39 2.48 2g96A1 GLN 481 HE21 -0.06 -0.07 -0.01 -0.04 6.97 6.78 2g96A1 GLN 481 HE22 -0.05 -0.01 -0.01 -0.04 7.69 7.59 2g96A1 LEU 482 H -0.09 -0.02 0.14 -0.55 8.37 7.85 2g96A1 LEU 482 HA -0.05 0.20 0.59 -0.75 4.35 4.34 2g96A1 LEU 482 HB2 -0.06 -0.01 0.07 -0.04 1.64 1.59 2g96A1 LEU 482 HB3 -0.04 -0.31 0.21 -0.04 1.64 1.46 2g96A1 LEU 482 HG -0.13 0.09 0.06 -0.04 1.64 1.61 2g96A1 LEU 482 HD13 -0.08 -0.04 -0.08 -0.04 0.93 0.69 2g96A1 LEU 482 HD23 -0.06 0.04 0.06 -0.04 0.89 0.89 2g96A1 ASN 483 H -0.02 0.08 0.05 -0.55 8.53 8.09 2g96A1 ASN 483 HA -0.01 0.02 0.18 -0.75 4.76 4.19 2g96A1 ASN 483 HB2 -0.02 -0.06 -0.16 -0.04 2.88 2.61 2g96A1 ASN 483 HB3 -0.02 0.14 -0.06 -0.04 2.79 2.81 2g96A1 ASN 483 HD21 -0.01 -0.01 -0.02 -0.04 7.03 6.95 2g96A1 ASN 483 HD22 -0.01 -0.00 -0.04 -0.04 7.74 7.64