============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. PHE 13 1.000 28.516 47.467 7.840 -99.200 -91.000 TYR 35 0.840 53.673 36.475 23.006 -99.200 -91.000 HIS 51 0.900 29.403 30.284 16.315 -99.200 -91.000 TRP 72 1.040 37.763 30.810 10.821 -99.200 -91.000 TRP6 72 1.020 39.550 30.713 12.357 -99.200 -91.000 TYR 78 0.840 20.199 29.216 10.342 -99.200 -91.000 TYR 83 0.840 28.736 42.742 9.213 -99.200 -91.000 PHE 97 1.000 37.413 27.716 1.472 -99.200 -91.000 TRP 99 1.040 27.016 30.660 2.030 -99.200 -91.000 TRP6 99 1.020 28.731 29.267 1.179 -99.200 -91.000 TYR 107 0.840 28.735 23.186 9.320 -99.200 -91.000 TRP 108 1.040 28.431 18.356 7.538 -99.200 -91.000 TRP6 108 1.020 29.888 18.233 9.405 -99.200 -91.000 TRP 109 1.040 32.485 22.270 -1.034 -99.200 -91.000 TRP6 109 1.020 33.230 24.514 -1.072 -99.200 -91.000 TRP 117 1.040 45.534 23.843 5.268 -99.200 -91.000 TRP6 117 1.020 46.316 26.061 5.486 -99.200 -91.000 HIS 140 0.900 39.782 12.685 16.408 -99.200 -91.000 TYR 145 0.840 32.239 5.980 9.026 -99.200 -91.000 TYR 149 0.840 36.855 1.362 0.690 -99.200 -91.000 PHE 169 1.000 30.520 13.667 9.731 -99.200 -91.000 TRP 184 1.040 39.111 12.727 5.738 -99.200 -91.000 TRP6 184 1.020 39.314 15.080 5.901 -99.200 -91.000 PHE 216 1.000 43.855 16.019 16.111 -99.200 -91.000 TYR 230 0.840 36.522 36.818 33.339 -99.200 -91.000 TYR 234 0.840 30.799 38.412 33.892 -99.200 -91.000 HIS 238 0.900 25.891 42.632 24.494 -99.200 -91.000 PHE 250 1.000 6.725 39.388 20.600 -99.200 -91.000 TYR 262 0.840 20.978 29.755 37.993 -99.200 -91.000 TYR 281 0.840 7.878 31.071 36.941 -99.200 -91.000 PHE 298 1.000 16.809 34.201 38.856 -99.200 -91.000 PHE 312 1.000 9.958 36.698 25.777 -99.200 -91.000 PHE 313 1.000 7.940 28.208 27.329 -99.200 -91.000 HIS 327 0.900 7.745 19.387 27.715 -99.200 -91.000 HIS 342 0.900 23.648 20.080 22.109 -99.200 -91.000 PHE 343 1.000 26.011 20.501 17.719 -99.200 -91.000 PHE 353 1.000 9.957 24.418 12.073 -99.200 -91.000 TYR 355 0.840 1.627 16.825 15.822 -99.200 -91.000 HIS 359 0.900 0.508 28.404 7.830 -99.200 -91.000 HIS 395 0.900 28.677 35.345 24.091 -99.200 -91.000 PHE 398 1.000 36.451 44.453 27.934 -99.200 -91.000 PHE 402 1.000 38.084 39.305 29.584 -99.200 -91.000 PHE 404 1.000 37.508 35.025 19.389 -99.200 -91.000 PHE 409 1.000 48.471 34.390 25.943 -99.200 -91.000 TRP 415 1.040 54.555 27.187 15.487 -99.200 -91.000 TRP6 415 1.020 54.234 25.879 13.547 -99.200 -91.000 TYR 423 0.840 50.797 20.835 25.540 -99.200 -91.000 TYR 428 0.840 48.284 17.438 27.726 -99.200 -91.000 HIS 433 0.900 51.831 30.923 33.201 -99.200 -91.000 TYR 441 0.840 48.281 40.585 28.344 -99.200 -91.000 HIS 442 0.900 41.236 41.365 28.382 -99.200 -91.000 PHE 460 1.000 48.114 34.892 57.156 -99.200 -91.000 PHE 469 1.000 47.932 37.242 42.842 -99.200 -91.000 TYR 474 0.840 38.961 30.890 44.664 -99.200 -91.000 TYR 476 0.840 39.342 32.056 40.110 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1v8bB1 ASN 4 HA 0.08 -0.12 0.22 -0.75 4.76 4.19 1v8bB1 ASN 4 HB2 0.03 -0.03 0.06 -0.04 2.88 2.89 1v8bB1 ASN 4 HB3 0.02 0.00 0.08 -0.04 2.79 2.85 1v8bB1 ASN 4 HD21 0.35 -0.03 -0.08 -0.04 7.03 7.23 1v8bB1 ASN 4 HD22 0.19 0.14 -0.31 -0.04 7.74 7.72 1v8bB1 LYS 5 H 0.09 0.04 0.09 -0.55 8.42 8.09 1v8bB1 LYS 5 HA -0.01 0.21 0.85 -0.75 4.32 4.62 1v8bB1 LYS 5 HB2 0.01 -0.06 0.18 -0.04 1.87 1.96 1v8bB1 LYS 5 HB3 0.02 0.01 0.05 -0.04 1.79 1.84 1v8bB1 LYS 5 HG2 0.07 -0.04 0.06 -0.04 1.46 1.51 1v8bB1 LYS 5 HG3 0.09 0.08 -0.18 -0.04 1.46 1.41 1v8bB1 LYS 5 HD2 0.02 -0.01 0.03 -0.04 1.69 1.68 1v8bB1 LYS 5 HD3 0.04 -0.05 0.01 -0.04 1.68 1.63 1v8bB1 LYS 5 HE2 0.01 -0.09 0.03 -0.04 2.99 2.90 1v8bB1 LYS 5 HE3 0.03 0.03 0.04 -0.04 2.99 3.05 1v8bB1 SER 6 H -0.06 0.12 0.21 -0.55 8.46 8.19 1v8bB1 SER 6 HA -0.47 0.15 0.60 -0.75 4.49 4.01 1v8bB1 SER 6 HB2 -0.08 -0.00 0.15 -0.04 3.95 3.98 1v8bB1 SER 6 HB3 -0.14 0.03 0.14 -0.04 3.93 3.92 1v8bB1 LYS 7 H -0.09 0.75 0.39 -0.55 8.42 8.92 1v8bB1 LYS 7 HA 0.10 0.16 0.91 -0.75 4.32 4.73 1v8bB1 LYS 7 HB2 0.55 0.11 -0.04 -0.04 1.87 2.45 1v8bB1 LYS 7 HB3 0.72 -0.13 0.21 -0.04 1.79 2.56 1v8bB1 LYS 7 HG2 -0.07 -0.07 -0.16 -0.04 1.46 1.12 1v8bB1 LYS 7 HG3 0.04 0.07 0.02 -0.04 1.46 1.54 1v8bB1 LYS 7 HD2 0.36 0.08 -0.04 -0.04 1.69 2.05 1v8bB1 LYS 7 HD3 0.42 -0.09 -0.06 -0.04 1.68 1.91 1v8bB1 LYS 7 HE2 -0.17 0.05 -0.03 -0.04 2.99 2.80 1v8bB1 LYS 7 HE3 -0.47 -0.02 -0.05 -0.04 2.99 2.41 1v8bB1 VAL 8 H 0.03 0.30 0.05 -0.55 8.24 8.07 1v8bB1 VAL 8 HA 0.27 0.25 0.81 -0.75 4.13 4.70 1v8bB1 VAL 8 HB 0.09 -0.16 -0.08 -0.04 2.12 1.93 1v8bB1 VAL 8 HG13 0.07 0.06 -0.36 -0.04 0.97 0.69 1v8bB1 VAL 8 HG23 0.02 0.01 -0.28 -0.04 0.95 0.66 1v8bB1 LYS 9 H 0.14 0.09 0.12 -0.55 8.42 8.22 1v8bB1 LYS 9 HA -0.16 0.13 0.39 -0.75 4.32 3.92 1v8bB1 LYS 9 HB2 0.14 -0.08 0.21 -0.04 1.87 2.11 1v8bB1 LYS 9 HB3 0.06 -0.14 0.20 -0.04 1.79 1.87 1v8bB1 LYS 9 HG2 -0.05 0.07 0.04 -0.04 1.46 1.48 1v8bB1 LYS 9 HG3 0.06 -0.02 0.05 -0.04 1.46 1.52 1v8bB1 LYS 9 HD2 0.00 -0.05 -0.21 -0.04 1.69 1.40 1v8bB1 LYS 9 HD3 -0.04 0.05 -0.15 -0.04 1.68 1.50 1v8bB1 LYS 9 HE2 -0.00 0.03 -0.04 -0.04 2.99 2.93 1v8bB1 LYS 9 HE3 0.01 0.05 -0.01 -0.04 2.99 2.99 1v8bB1 ASP 10 H 0.03 0.07 -0.04 -0.55 8.40 7.91 1v8bB1 ASP 10 HA -0.01 0.26 0.85 -0.75 4.63 4.97 1v8bB1 ASP 10 HB2 -0.01 0.15 -0.12 -0.04 2.71 2.69 1v8bB1 ASP 10 HB3 0.02 -0.06 0.08 -0.04 2.70 2.69 1v8bB1 ILE 11 H -0.00 0.32 0.05 -0.55 8.25 8.07 1v8bB1 ILE 11 HA 0.02 0.04 0.30 -0.75 4.18 3.79 1v8bB1 ILE 11 HB 0.00 0.06 0.08 -0.04 1.89 1.98 1v8bB1 ILE 11 HG12 0.00 0.09 0.01 -0.04 1.49 1.55 1v8bB1 ILE 11 HG13 0.01 -0.04 0.08 -0.04 1.21 1.22 1v8bB1 ILE 11 HG23 0.00 0.01 -0.11 -0.04 0.93 0.80 1v8bB1 ILE 11 HD13 0.01 -0.00 0.01 -0.04 0.88 0.85 1v8bB1 SER 12 H 0.01 0.06 -0.48 -0.55 8.46 7.51 1v8bB1 SER 12 HA 0.02 0.18 0.46 -0.75 4.49 4.40 1v8bB1 SER 12 HB2 0.01 0.05 0.12 -0.04 3.95 4.10 1v8bB1 SER 12 HB3 0.01 0.02 0.05 -0.04 3.93 3.97 1v8bB1 LEU 13 H 0.05 0.41 -0.37 -0.55 8.37 7.92 1v8bB1 LEU 13 HA 0.09 0.13 0.60 -0.75 4.35 4.41 1v8bB1 LEU 13 HB2 0.11 0.11 -0.01 -0.04 1.64 1.81 1v8bB1 LEU 13 HB3 0.19 -0.14 0.11 -0.04 1.64 1.77 1v8bB1 LEU 13 HG 0.04 0.02 -0.03 -0.04 1.64 1.62 1v8bB1 LEU 13 HD13 0.08 -0.03 -0.07 -0.04 0.93 0.88 1v8bB1 LEU 13 HD23 -0.02 0.02 -0.02 -0.04 0.89 0.83 1v8bB1 ALA 14 H 0.06 0.41 -0.40 -0.55 8.40 7.93 1v8bB1 ALA 14 HA 0.08 -0.06 0.24 -0.75 4.34 3.85 1v8bB1 ALA 14 HB3 0.03 0.06 -0.03 -0.04 1.41 1.44 1v8bB1 PRO 15 HA 0.03 0.08 0.45 -0.51 4.44 4.50 1v8bB1 PRO 15 HB2 0.05 0.03 -0.03 -0.04 2.28 2.29 1v8bB1 PRO 15 HB3 0.03 0.07 0.07 -0.04 2.02 2.14 1v8bB1 PRO 15 HG2 0.09 -0.06 0.04 -0.04 2.03 2.06 1v8bB1 PRO 15 HG3 0.05 0.10 0.05 -0.04 2.03 2.18 1v8bB1 PRO 15 HD2 0.07 0.08 -0.46 -0.04 3.68 3.33 1v8bB1 PRO 15 HD3 0.04 0.15 0.01 -0.04 3.65 3.81 1v8bB1 PHE 16 H 0.21 0.26 -0.18 -0.55 8.34 8.08 1v8bB1 PHE 16 HA -0.04 0.08 0.46 -0.75 4.62 4.36 1v8bB1 PHE 16 HB2 -0.03 0.03 0.13 -0.04 3.15 3.24 1v8bB1 PHE 16 HB3 0.00 0.09 0.17 -0.04 3.06 3.28 1v8bB1 PHE 16 HD2 -0.26 -0.01 -0.09 -0.04 7.28 6.87 1v8bB1 PHE 16 HE2 -0.79 -0.01 -0.02 -0.04 7.38 6.52 1v8bB1 PHE 16 HZ -0.25 0.03 -0.01 -0.04 7.32 7.04 1v8bB1 GLY 17 H 0.23 0.55 -0.09 -0.55 8.43 8.58 1v8bB1 GLY 17 HA2 0.21 -0.10 0.32 -0.51 4.01 3.93 1v8bB1 GLY 17 HA3 0.22 0.28 0.24 -0.51 4.01 4.24 1v8bB1 LYS 18 H 0.03 0.55 -0.16 -0.55 8.42 8.29 1v8bB1 LYS 18 HA -0.01 0.01 0.39 -0.75 4.32 3.95 1v8bB1 LYS 18 HB2 0.00 0.08 0.20 -0.04 1.87 2.12 1v8bB1 LYS 18 HB3 -0.02 0.01 -0.06 -0.04 1.79 1.68 1v8bB1 LYS 18 HG2 -0.01 0.01 -0.02 -0.04 1.46 1.40 1v8bB1 LYS 18 HG3 -0.01 -0.04 0.02 -0.04 1.46 1.39 1v8bB1 LYS 18 HD2 0.01 -0.11 0.01 -0.04 1.69 1.56 1v8bB1 LYS 18 HD3 0.01 -0.01 -0.13 -0.04 1.68 1.51 1v8bB1 LYS 18 HE2 -0.00 0.10 0.03 -0.04 2.99 3.08 1v8bB1 LYS 18 HE3 -0.01 -0.01 -0.04 -0.04 2.99 2.89 1v8bB1 MET 19 H -0.10 0.49 -0.20 -0.55 8.47 8.11 1v8bB1 MET 19 HA -0.08 0.05 0.45 -0.75 4.52 4.18 1v8bB1 MET 19 HB2 -0.11 0.05 0.13 -0.04 2.15 2.18 1v8bB1 MET 19 HB3 -0.30 0.14 0.19 -0.04 2.03 2.02 1v8bB1 MET 19 HG2 -0.16 -0.00 -0.00 -0.04 2.63 2.42 1v8bB1 MET 19 HG3 -0.18 -0.04 -0.20 -0.04 2.56 2.10 1v8bB1 MET 19 HE3 -0.04 0.01 0.00 -0.04 2.10 2.02 1v8bB1 GLN 20 H -0.25 0.44 -0.17 -0.55 8.47 7.95 1v8bB1 GLN 20 HA -0.15 0.03 0.43 -0.75 4.36 3.91 1v8bB1 GLN 20 HB2 -0.06 0.14 0.15 -0.04 2.15 2.34 1v8bB1 GLN 20 HB3 -0.02 -0.12 0.01 -0.04 2.02 1.85 1v8bB1 GLN 20 HG2 -0.77 0.20 0.07 -0.04 2.40 1.86 1v8bB1 GLN 20 HG3 -0.36 -0.10 0.00 -0.04 2.39 1.89 1v8bB1 GLN 20 HE21 -0.20 0.02 -0.02 -0.04 6.97 6.73 1v8bB1 GLN 20 HE22 -0.57 0.04 -0.03 -0.04 7.69 7.09 1v8bB1 MET 21 H -0.04 0.54 -0.20 -0.55 8.47 8.22 1v8bB1 MET 21 HA -0.00 -0.06 0.38 -0.75 4.52 4.08 1v8bB1 MET 21 HB2 -0.02 0.17 0.10 -0.04 2.15 2.35 1v8bB1 MET 21 HB3 -0.02 -0.01 -0.08 -0.04 2.03 1.88 1v8bB1 MET 21 HG2 -0.01 -0.08 -0.03 -0.04 2.63 2.47 1v8bB1 MET 21 HG3 0.02 0.12 0.03 -0.04 2.56 2.69 1v8bB1 MET 21 HE3 -0.05 0.01 -0.20 -0.04 2.10 1.81 1v8bB1 GLU 22 H -0.04 0.51 -0.18 -0.55 8.60 8.34 1v8bB1 GLU 22 HA -0.03 0.05 0.44 -0.75 4.29 4.00 1v8bB1 GLU 22 HB2 -0.03 0.05 0.11 -0.04 2.09 2.18 1v8bB1 GLU 22 HB3 -0.04 0.10 0.17 -0.04 1.99 2.17 1v8bB1 GLU 22 HG2 -0.03 -0.01 -0.20 -0.04 2.34 2.06 1v8bB1 GLU 22 HG3 -0.02 -0.02 0.04 -0.04 2.34 2.30 1v8bB1 ILE 23 H -0.05 0.43 -0.20 -0.55 8.25 7.88 1v8bB1 ILE 23 HA -0.02 0.10 0.52 -0.75 4.18 4.02 1v8bB1 ILE 23 HB -0.05 0.05 0.16 -0.04 1.89 2.01 1v8bB1 ILE 23 HG12 -0.04 -0.02 0.02 -0.04 1.49 1.41 1v8bB1 ILE 23 HG13 -0.06 0.17 0.09 -0.04 1.21 1.37 1v8bB1 ILE 23 HG23 -0.02 -0.02 -0.08 -0.04 0.93 0.77 1v8bB1 ILE 23 HD13 -0.07 -0.02 -0.03 -0.04 0.88 0.71 1v8bB1 SER 24 H -0.01 0.65 -0.02 -0.55 8.46 8.53 1v8bB1 SER 24 HA 0.02 -0.02 0.37 -0.75 4.49 4.11 1v8bB1 SER 24 HB2 0.02 0.12 0.04 -0.04 3.95 4.09 1v8bB1 SER 24 HB3 0.03 -0.14 0.03 -0.04 3.93 3.81 1v8bB1 GLU 25 H -0.01 0.33 -0.79 -0.55 8.60 7.58 1v8bB1 GLU 25 HA -0.01 -0.02 0.33 -0.75 4.29 3.84 1v8bB1 GLU 25 HB2 -0.02 0.30 0.10 -0.04 2.09 2.44 1v8bB1 GLU 25 HB3 -0.02 -0.01 -0.09 -0.04 1.99 1.83 1v8bB1 GLU 25 HG2 -0.02 -0.06 0.00 -0.04 2.34 2.22 1v8bB1 GLU 25 HG3 -0.02 -0.02 0.00 -0.04 2.34 2.26 1v8bB1 ASN 26 H 0.00 0.44 -0.23 -0.55 8.53 8.19 1v8bB1 ASN 26 HA 0.01 0.09 0.46 -0.75 4.76 4.56 1v8bB1 ASN 26 HB2 0.01 0.07 0.07 -0.04 2.88 2.99 1v8bB1 ASN 26 HB3 0.01 -0.02 0.09 -0.04 2.79 2.83 1v8bB1 ASN 26 HD21 -0.01 0.01 -0.02 -0.04 7.03 6.97 1v8bB1 ASN 26 HD22 -0.00 -0.01 -0.00 -0.04 7.74 7.68 1v8bB1 GLU 27 H 0.04 0.26 -0.48 -0.55 8.60 7.87 1v8bB1 GLU 27 HA 0.20 0.16 0.62 -0.75 4.29 4.52 1v8bB1 GLU 27 HB2 0.07 0.11 0.09 -0.04 2.09 2.32 1v8bB1 GLU 27 HB3 0.15 -0.26 0.11 -0.04 1.99 1.96 1v8bB1 GLU 27 HG2 0.05 0.09 -0.05 -0.04 2.34 2.39 1v8bB1 GLU 27 HG3 0.05 -0.09 0.02 -0.04 2.34 2.28 1v8bB1 MET 28 H 0.01 0.42 -0.55 -0.55 8.47 7.80 1v8bB1 MET 28 HA -0.15 0.16 0.93 -0.75 4.52 4.71 1v8bB1 MET 28 HB2 -0.02 0.11 0.12 -0.04 2.15 2.32 1v8bB1 MET 28 HB3 -0.04 -0.20 0.14 -0.04 2.03 1.90 1v8bB1 MET 28 HG2 -0.03 0.21 -0.23 -0.04 2.63 2.54 1v8bB1 MET 28 HG3 0.02 0.07 -0.42 -0.04 2.56 2.19 1v8bB1 MET 28 HE3 0.17 0.01 -0.14 -0.04 2.10 2.10 1v8bB1 PRO 29 HA -0.12 0.09 0.36 -0.51 4.44 4.27 1v8bB1 PRO 29 HB2 -0.17 0.15 0.05 -0.04 2.28 2.26 1v8bB1 PRO 29 HB3 -0.04 0.08 0.11 -0.04 2.02 2.13 1v8bB1 PRO 29 HG2 -0.42 -0.04 -0.01 -0.04 2.03 1.52 1v8bB1 PRO 29 HG3 0.08 0.06 0.06 -0.04 2.03 2.19 1v8bB1 PRO 29 HD2 -0.28 0.16 -0.11 -0.04 3.68 3.40 1v8bB1 PRO 29 HD3 0.06 0.28 -0.22 -0.04 3.65 3.73 1v8bB1 GLY 30 H -0.40 0.07 -0.43 -0.55 8.43 7.12 1v8bB1 GLY 30 HA2 -0.26 0.13 0.37 -0.51 4.01 3.74 1v8bB1 GLY 30 HA3 -0.21 0.04 0.20 -0.51 4.01 3.54 1v8bB1 LEU 31 H -0.07 0.12 -0.05 -0.55 8.37 7.82 1v8bB1 LEU 31 HA -0.05 0.04 0.41 -0.75 4.35 3.99 1v8bB1 LEU 31 HB2 -0.02 0.07 0.10 -0.04 1.64 1.75 1v8bB1 LEU 31 HB3 -0.03 0.08 -0.09 -0.04 1.64 1.55 1v8bB1 LEU 31 HG 0.06 -0.05 -0.04 -0.04 1.64 1.57 1v8bB1 LEU 31 HD13 0.09 0.02 -0.18 -0.04 0.93 0.82 1v8bB1 LEU 31 HD23 -0.03 0.01 -0.07 -0.04 0.89 0.76 1v8bB1 MET 32 H -0.08 0.44 -0.23 -0.55 8.47 8.05 1v8bB1 MET 32 HA -0.05 0.05 0.41 -0.75 4.52 4.17 1v8bB1 MET 32 HB2 -0.09 0.06 0.03 -0.04 2.15 2.12 1v8bB1 MET 32 HB3 -0.06 -0.01 0.00 -0.04 2.03 1.92 1v8bB1 MET 32 HG2 -0.05 0.15 -0.00 -0.04 2.63 2.68 1v8bB1 MET 32 HG3 -0.04 0.07 -0.05 -0.04 2.56 2.49 1v8bB1 MET 32 HE3 -0.03 -0.02 -0.11 -0.04 2.10 1.90 1v8bB1 ARG 33 H -0.15 0.43 -0.31 -0.55 8.46 7.87 1v8bB1 ARG 33 HA -0.18 0.03 0.47 -0.75 4.34 3.91 1v8bB1 ARG 33 HB2 -0.40 0.18 0.26 -0.04 1.90 1.91 1v8bB1 ARG 33 HB3 -0.80 -0.08 0.00 -0.04 1.80 0.89 1v8bB1 ARG 33 HG2 -0.25 0.09 0.11 -0.04 1.67 1.57 1v8bB1 ARG 33 HG3 -0.51 -0.03 0.09 -0.04 1.67 1.18 1v8bB1 ARG 33 HD2 -0.22 -0.02 0.08 -0.04 3.22 3.02 1v8bB1 ARG 33 HD3 -0.19 -0.01 0.03 -0.04 3.22 3.01 1v8bB1 ILE 34 H -0.06 0.36 -0.22 -0.55 8.25 7.79 1v8bB1 ILE 34 HA 0.21 -0.01 0.41 -0.75 4.18 4.04 1v8bB1 ILE 34 HB -0.05 0.18 0.13 -0.04 1.89 2.11 1v8bB1 ILE 34 HG12 -0.03 0.32 0.15 -0.04 1.49 1.89 1v8bB1 ILE 34 HG13 -0.22 -0.09 0.02 -0.04 1.21 0.88 1v8bB1 ILE 34 HG23 -0.10 -0.01 -0.09 -0.04 0.93 0.69 1v8bB1 ILE 34 HD13 -0.01 -0.03 -0.03 -0.04 0.88 0.77 1v8bB1 ARG 35 H -0.02 0.41 -0.17 -0.55 8.46 8.13 1v8bB1 ARG 35 HA 0.03 0.09 0.27 -0.75 4.34 3.97 1v8bB1 ARG 35 HB2 -0.03 0.11 0.08 -0.04 1.90 2.02 1v8bB1 ARG 35 HB3 -0.01 -0.01 -0.01 -0.04 1.80 1.73 1v8bB1 ARG 35 HG2 -0.03 0.03 -0.00 -0.04 1.67 1.63 1v8bB1 ARG 35 HG3 -0.03 0.15 0.04 -0.04 1.67 1.79 1v8bB1 ARG 35 HD2 -0.03 -0.03 -0.04 -0.04 3.22 3.08 1v8bB1 ARG 35 HD3 -0.03 0.02 -0.05 -0.04 3.22 3.12 1v8bB1 GLU 36 H -0.03 0.33 -0.38 -0.55 8.60 7.97 1v8bB1 GLU 36 HA -0.02 0.04 0.48 -0.75 4.29 4.03 1v8bB1 GLU 36 HB2 -0.07 0.11 0.15 -0.04 2.09 2.24 1v8bB1 GLU 36 HB3 -0.05 -0.06 0.06 -0.04 1.99 1.90 1v8bB1 GLU 36 HG2 -0.04 -0.06 0.02 -0.04 2.34 2.23 1v8bB1 GLU 36 HG3 -0.05 0.21 0.08 -0.04 2.34 2.54 1v8bB1 GLU 37 H 0.03 0.36 -0.20 -0.55 8.60 8.24 1v8bB1 GLU 37 HA -0.09 0.12 0.74 -0.75 4.29 4.31 1v8bB1 GLU 37 HB2 0.10 -0.01 0.20 -0.04 2.09 2.35 1v8bB1 GLU 37 HB3 -0.35 -0.04 0.01 -0.04 1.99 1.57 1v8bB1 GLU 37 HG2 -0.06 -0.02 -0.02 -0.04 2.34 2.20 1v8bB1 GLU 37 HG3 -0.05 0.19 0.05 -0.04 2.34 2.48 1v8bB1 TYR 38 H 0.34 0.51 0.14 -0.55 8.29 8.73 1v8bB1 TYR 38 HA 0.05 0.11 0.67 -0.75 4.56 4.64 1v8bB1 TYR 38 HB2 0.05 0.05 0.09 -0.04 3.06 3.22 1v8bB1 TYR 38 HB3 0.06 -0.01 0.19 -0.04 2.98 3.19 1v8bB1 TYR 38 HD2 0.11 0.10 0.08 -0.04 7.15 7.40 1v8bB1 TYR 38 HE2 0.24 -0.01 -0.02 -0.04 6.85 7.01 1v8bB1 GLY 39 H 0.04 0.16 -0.83 -0.55 8.43 7.26 1v8bB1 GLY 39 HA2 0.04 0.10 0.52 -0.51 4.01 4.16 1v8bB1 GLY 39 HA3 0.02 0.26 0.40 -0.51 4.01 4.18 1v8bB1 LYS 40 H 0.01 0.00 0.06 -0.55 8.42 7.93 1v8bB1 LYS 40 HA 0.01 0.12 0.39 -0.75 4.32 4.09 1v8bB1 LYS 40 HB2 0.01 -0.00 0.14 -0.04 1.87 1.97 1v8bB1 LYS 40 HB3 0.00 -0.02 0.12 -0.04 1.79 1.86 1v8bB1 LYS 40 HG2 0.00 0.05 -0.27 -0.04 1.46 1.20 1v8bB1 LYS 40 HG3 -0.00 -0.04 -0.02 -0.04 1.46 1.36 1v8bB1 LYS 40 HD2 -0.02 -0.02 0.03 -0.04 1.69 1.65 1v8bB1 LYS 40 HD3 -0.01 -0.01 0.08 -0.04 1.68 1.70 1v8bB1 LYS 40 HE2 -0.02 0.24 0.02 -0.04 2.99 3.19 1v8bB1 LYS 40 HE3 0.00 0.00 0.08 -0.04 2.99 3.04 1v8bB1 ASP 41 H 0.04 0.01 -0.93 -0.55 8.40 6.98 1v8bB1 ASP 41 HA 0.03 0.08 0.52 -0.75 4.63 4.51 1v8bB1 ASP 41 HB2 0.02 -0.02 -0.01 -0.04 2.71 2.65 1v8bB1 ASP 41 HB3 0.10 0.05 -0.07 -0.04 2.70 2.74 1v8bB1 GLN 42 H 0.05 0.39 -0.12 -0.55 8.47 8.25 1v8bB1 GLN 42 HA 0.03 0.19 0.31 -0.75 4.36 4.14 1v8bB1 GLN 42 HB2 0.04 0.12 -0.05 -0.04 2.15 2.22 1v8bB1 GLN 42 HB3 0.02 -0.09 0.15 -0.04 2.02 2.06 1v8bB1 GLN 42 HG2 0.02 0.02 -0.32 -0.04 2.40 2.09 1v8bB1 GLN 42 HG3 0.02 -0.08 -0.12 -0.04 2.39 2.17 1v8bB1 GLN 42 HE21 -0.00 0.11 -0.07 -0.04 6.97 6.97 1v8bB1 GLN 42 HE22 0.01 0.35 0.12 -0.04 7.69 8.13 1v8bB1 PRO 43 HA 0.16 0.12 0.46 -0.51 4.44 4.67 1v8bB1 PRO 43 HB2 0.18 -0.03 0.02 -0.04 2.28 2.41 1v8bB1 PRO 43 HB3 0.21 -0.02 0.05 -0.04 2.02 2.21 1v8bB1 PRO 43 HG2 0.06 -0.00 0.06 -0.04 2.03 2.10 1v8bB1 PRO 43 HG3 0.22 -0.06 0.09 -0.04 2.03 2.24 1v8bB1 PRO 43 HD2 0.08 0.23 0.33 -0.04 3.68 4.28 1v8bB1 PRO 43 HD3 0.14 -0.03 0.03 -0.04 3.65 3.76 1v8bB1 LEU 44 H -0.04 0.47 -0.21 -0.55 8.37 8.04 1v8bB1 LEU 44 HA -0.65 0.17 0.71 -0.75 4.35 3.83 1v8bB1 LEU 44 HB2 -0.18 0.07 -0.23 -0.04 1.64 1.26 1v8bB1 LEU 44 HB3 -0.42 -0.08 -0.00 -0.04 1.64 1.09 1v8bB1 LEU 44 HG -0.10 -0.02 -0.16 -0.04 1.64 1.32 1v8bB1 LEU 44 HD13 -0.12 -0.02 -0.08 -0.04 0.93 0.67 1v8bB1 LEU 44 HD23 -0.27 0.01 -0.20 -0.04 0.89 0.38 1v8bB1 LYS 45 H -0.00 0.35 -0.42 -0.55 8.42 7.79 1v8bB1 LYS 45 HA -0.06 0.31 0.47 -0.75 4.32 4.28 1v8bB1 LYS 45 HB2 0.03 0.23 0.22 -0.04 1.87 2.31 1v8bB1 LYS 45 HB3 0.09 -0.05 0.10 -0.04 1.79 1.89 1v8bB1 LYS 45 HG2 0.04 -0.05 0.03 -0.04 1.46 1.43 1v8bB1 LYS 45 HG3 0.03 -0.04 -0.06 -0.04 1.46 1.35 1v8bB1 LYS 45 HD2 -0.01 0.16 0.20 -0.04 1.69 2.01 1v8bB1 LYS 45 HD3 0.01 -0.00 0.07 -0.04 1.68 1.72 1v8bB1 LYS 45 HE2 0.01 -0.02 0.05 -0.04 2.99 2.99 1v8bB1 LYS 45 HE3 0.01 -0.03 0.03 -0.04 2.99 2.96 1v8bB1 ASN 46 H -0.06 0.32 0.29 -0.55 8.53 8.54 1v8bB1 ASN 46 HA -0.02 -0.03 0.37 -0.75 4.76 4.32 1v8bB1 ASN 46 HB2 0.19 0.31 0.20 -0.04 2.88 3.54 1v8bB1 ASN 46 HB3 0.09 -0.07 0.18 -0.04 2.79 2.95 1v8bB1 ASN 46 HD21 0.06 -0.06 -0.08 -0.04 7.03 6.92 1v8bB1 ASN 46 HD22 0.12 0.10 -0.13 -0.04 7.74 7.79 1v8bB1 ALA 47 H -0.45 0.56 -0.36 -0.55 8.40 7.61 1v8bB1 ALA 47 HA -0.63 0.06 0.62 -0.75 4.34 3.64 1v8bB1 ALA 47 HB3 -1.60 0.00 -0.00 -0.04 1.41 -0.23 1v8bB1 LYS 48 H -0.32 0.15 0.24 -0.55 8.42 7.94 1v8bB1 LYS 48 HA -0.44 0.23 0.89 -0.75 4.32 4.25 1v8bB1 LYS 48 HB2 -0.75 -0.14 0.28 -0.04 1.87 1.21 1v8bB1 LYS 48 HB3 -2.30 0.05 0.00 -0.04 1.79 -0.49 1v8bB1 LYS 48 HG2 -0.52 0.01 -0.10 -0.04 1.46 0.81 1v8bB1 LYS 48 HG3 -0.37 0.08 0.00 -0.04 1.46 1.14 1v8bB1 LYS 48 HD2 -1.05 -0.00 -0.07 -0.04 1.69 0.53 1v8bB1 LYS 48 HD3 -0.23 -0.00 -0.03 -0.04 1.68 1.38 1v8bB1 LYS 48 HE2 -0.26 -0.04 0.03 -0.04 2.99 2.67 1v8bB1 LYS 48 HE3 -0.66 -0.06 0.06 -0.04 2.99 2.30 1v8bB1 ILE 49 H 0.09 0.84 0.33 -0.55 8.25 8.96 1v8bB1 ILE 49 HA 0.01 0.21 1.16 -0.75 4.18 4.80 1v8bB1 ILE 49 HB 0.13 0.06 0.06 -0.04 1.89 2.11 1v8bB1 ILE 49 HG12 -0.07 -0.03 -0.19 -0.04 1.49 1.15 1v8bB1 ILE 49 HG13 -0.16 0.02 -0.45 -0.04 1.21 0.58 1v8bB1 ILE 49 HG23 0.11 -0.04 -0.28 -0.04 0.93 0.68 1v8bB1 ILE 49 HD13 -0.08 -0.01 -0.15 -0.04 0.88 0.59 1v8bB1 THR 50 H 0.11 0.52 0.37 -0.55 8.28 8.73 1v8bB1 THR 50 HA 0.22 0.37 1.07 -0.75 4.39 5.30 1v8bB1 THR 50 HB 0.13 -0.10 0.11 -0.04 4.32 4.43 1v8bB1 THR 50 HG23 -0.02 -0.06 -0.37 -0.04 1.22 0.73 1v8bB1 GLY 51 H -0.34 0.69 0.45 -0.55 8.43 8.69 1v8bB1 GLY 51 HA2 -0.87 0.13 1.13 -0.51 4.01 3.89 1v8bB1 GLY 51 HA3 -3.16 -0.02 0.34 -0.51 4.01 0.67 1v8bB1 CYS 52 H -0.64 0.72 0.23 -0.55 8.50 8.25 1v8bB1 CYS 52 HA -0.45 0.31 0.70 -0.75 4.58 4.39 1v8bB1 CYS 52 HB2 -0.25 0.18 -0.15 -0.04 2.97 2.71 1v8bB1 CYS 52 HB3 -0.20 -0.22 0.23 -0.04 2.97 2.75 1v8bB1 LEU 53 H -0.20 0.64 0.09 -0.55 8.37 8.35 1v8bB1 LEU 53 HA -0.11 -0.02 0.76 -0.75 4.35 4.23 1v8bB1 LEU 53 HB2 0.05 0.04 -0.38 -0.04 1.64 1.31 1v8bB1 LEU 53 HB3 0.50 0.11 -0.09 -0.04 1.64 2.12 1v8bB1 LEU 53 HG 0.22 -0.15 0.04 -0.04 1.64 1.71 1v8bB1 LEU 53 HD13 0.29 0.02 -0.12 -0.04 0.93 1.08 1v8bB1 LEU 53 HD23 0.37 0.07 -0.18 -0.04 0.89 1.11 1v8bB1 HIS 54 H -0.31 0.11 0.13 -0.55 8.41 7.79 1v8bB1 HIS 54 HA 0.08 -0.14 0.35 -0.75 4.63 4.17 1v8bB1 HIS 54 HB2 0.11 0.02 0.08 -0.04 3.26 3.43 1v8bB1 HIS 54 HB3 0.06 0.15 -0.08 -0.04 3.20 3.29 1v8bB1 HIS 54 HD2 0.04 0.03 0.05 -0.04 6.97 7.05 1v8bB1 HIS 54 HE1 -0.04 -0.01 -0.03 -0.04 7.75 7.63 1v8bB1 MET 55 H 0.15 -0.00 0.02 -0.55 8.47 8.09 1v8bB1 MET 55 HA 0.09 0.21 0.48 -0.75 4.52 4.54 1v8bB1 MET 55 HB2 0.17 0.07 -0.08 -0.04 2.15 2.27 1v8bB1 MET 55 HB3 0.08 -0.16 0.10 -0.04 2.03 2.01 1v8bB1 MET 55 HG2 0.05 0.01 -0.13 -0.04 2.63 2.52 1v8bB1 MET 55 HG3 -0.00 -0.06 -0.20 -0.04 2.56 2.26 1v8bB1 MET 55 HE3 -0.16 -0.02 -0.31 -0.04 2.10 1.57 1v8bB1 THR 56 H 0.09 0.37 0.07 -0.55 8.28 8.26 1v8bB1 THR 56 HA -0.00 0.20 0.87 -0.75 4.39 4.70 1v8bB1 THR 56 HB 0.07 0.03 0.17 -0.04 4.32 4.54 1v8bB1 THR 56 HG23 0.08 0.05 -0.20 -0.04 1.22 1.11 1v8bB1 VAL 57 H 0.07 0.26 0.16 -0.55 8.24 8.19 1v8bB1 VAL 57 HA 0.05 0.13 0.41 -0.75 4.13 3.97 1v8bB1 VAL 57 HB 0.12 0.01 0.13 -0.04 2.12 2.33 1v8bB1 VAL 57 HG13 0.06 0.04 -0.22 -0.04 0.97 0.82 1v8bB1 VAL 57 HG23 0.28 0.02 0.05 -0.04 0.95 1.26 1v8bB1 GLU 58 H 0.11 0.14 -0.10 -0.55 8.60 8.21 1v8bB1 GLU 58 HA 0.13 0.15 0.32 -0.75 4.29 4.14 1v8bB1 GLU 58 HB2 0.22 -0.05 -0.04 -0.04 2.09 2.18 1v8bB1 GLU 58 HB3 0.27 0.04 -0.08 -0.04 1.99 2.17 1v8bB1 GLU 58 HG2 0.05 0.08 -0.21 -0.04 2.34 2.22 1v8bB1 GLU 58 HG3 0.08 -0.01 -0.00 -0.04 2.34 2.36 1v8bB1 CYS 59 H 0.13 0.01 -0.47 -0.55 8.50 7.62 1v8bB1 CYS 59 HA -0.30 0.07 0.45 -0.75 4.58 4.04 1v8bB1 CYS 59 HB2 0.16 0.00 0.10 -0.04 2.97 3.19 1v8bB1 CYS 59 HB3 -0.01 0.01 0.16 -0.04 2.97 3.09 1v8bB1 ALA 60 H -0.07 0.39 -0.22 -0.55 8.40 7.95 1v8bB1 ALA 60 HA -0.27 0.05 0.36 -0.75 4.34 3.73 1v8bB1 ALA 60 HB3 -0.07 0.05 0.05 -0.04 1.41 1.40 1v8bB1 LEU 61 H -0.05 0.34 -0.29 -0.55 8.37 7.83 1v8bB1 LEU 61 HA -0.07 0.09 0.36 -0.75 4.35 3.98 1v8bB1 LEU 61 HB2 0.04 0.06 0.05 -0.04 1.64 1.75 1v8bB1 LEU 61 HB3 -0.01 0.01 -0.04 -0.04 1.64 1.56 1v8bB1 LEU 61 HG -0.00 0.02 -0.02 -0.04 1.64 1.59 1v8bB1 LEU 61 HD13 0.02 -0.01 -0.19 -0.04 0.93 0.71 1v8bB1 LEU 61 HD23 -0.03 0.04 -0.06 -0.04 0.89 0.80 1v8bB1 LEU 62 H -0.24 0.20 -0.50 -0.55 8.37 7.29 1v8bB1 LEU 62 HA -0.19 0.06 0.46 -0.75 4.35 3.93 1v8bB1 LEU 62 HB2 -0.96 -0.05 0.07 -0.04 1.64 0.66 1v8bB1 LEU 62 HB3 -0.70 0.15 0.17 -0.04 1.64 1.21 1v8bB1 LEU 62 HG -0.35 0.06 -0.33 -0.04 1.64 0.98 1v8bB1 LEU 62 HD13 -0.16 -0.01 0.01 -0.04 0.93 0.72 1v8bB1 LEU 62 HD23 -0.60 -0.03 -0.06 -0.04 0.89 0.15 1v8bB1 ILE 63 H -0.47 0.49 -0.08 -0.55 8.25 7.65 1v8bB1 ILE 63 HA -0.42 0.01 0.28 -0.75 4.18 3.30 1v8bB1 ILE 63 HB -0.33 0.11 0.07 -0.04 1.89 1.70 1v8bB1 ILE 63 HG12 -0.71 0.31 0.08 -0.04 1.49 1.12 1v8bB1 ILE 63 HG13 -0.77 -0.06 -0.11 -0.04 1.21 0.23 1v8bB1 ILE 63 HG23 -0.29 0.01 -0.17 -0.04 0.93 0.44 1v8bB1 ILE 63 HD13 -2.14 -0.04 -0.11 -0.04 0.88 -1.45 1v8bB1 GLU 64 H -0.19 0.59 -0.15 -0.55 8.60 8.31 1v8bB1 GLU 64 HA -0.10 0.06 0.33 -0.75 4.29 3.83 1v8bB1 GLU 64 HB2 -0.10 0.01 0.05 -0.04 2.09 2.02 1v8bB1 GLU 64 HB3 -0.09 0.04 0.02 -0.04 1.99 1.93 1v8bB1 GLU 64 HG2 -0.05 0.02 -0.16 -0.04 2.34 2.11 1v8bB1 GLU 64 HG3 -0.06 0.01 0.01 -0.04 2.34 2.26 1v8bB1 THR 65 H -0.12 0.28 -0.54 -0.55 8.28 7.35 1v8bB1 THR 65 HA -0.06 0.05 0.39 -0.75 4.39 4.02 1v8bB1 THR 65 HB -0.10 0.08 0.16 -0.04 4.32 4.42 1v8bB1 THR 65 HG23 -0.07 -0.02 -0.12 -0.04 1.22 0.97 1v8bB1 LEU 66 H -0.11 0.51 -0.07 -0.55 8.37 8.15 1v8bB1 LEU 66 HA -0.07 0.01 0.34 -0.75 4.35 3.87 1v8bB1 LEU 66 HB2 -0.07 0.10 0.08 -0.04 1.64 1.71 1v8bB1 LEU 66 HB3 -0.04 0.00 -0.08 -0.04 1.64 1.48 1v8bB1 LEU 66 HG -0.09 0.12 -0.01 -0.04 1.64 1.62 1v8bB1 LEU 66 HD13 0.08 -0.04 -0.15 -0.04 0.93 0.79 1v8bB1 LEU 66 HD23 -0.04 -0.02 -0.08 -0.04 0.89 0.71 1v8bB1 GLN 67 H -0.08 0.62 -0.14 -0.55 8.47 8.33 1v8bB1 GLN 67 HA -0.04 0.22 0.46 -0.75 4.36 4.24 1v8bB1 GLN 67 HB2 -0.03 0.16 0.06 -0.04 2.15 2.31 1v8bB1 GLN 67 HB3 -0.05 -0.02 0.02 -0.04 2.02 1.92 1v8bB1 GLN 67 HG2 -0.06 -0.12 -0.05 -0.04 2.40 2.13 1v8bB1 GLN 67 HG3 -0.05 0.17 0.07 -0.04 2.39 2.53 1v8bB1 GLN 67 HE21 -0.02 -0.06 -0.10 -0.04 6.97 6.75 1v8bB1 GLN 67 HE22 -0.03 0.04 -0.10 -0.04 7.69 7.55 1v8bB1 LYS 68 H -0.05 0.52 -0.25 -0.55 8.42 8.08 1v8bB1 LYS 68 HA -0.02 0.02 0.43 -0.75 4.32 3.99 1v8bB1 LYS 68 HB2 -0.04 0.09 0.17 -0.04 1.87 2.05 1v8bB1 LYS 68 HB3 -0.02 -0.06 0.09 -0.04 1.79 1.76 1v8bB1 LYS 68 HG2 -0.02 -0.05 0.04 -0.04 1.46 1.39 1v8bB1 LYS 68 HG3 -0.04 0.07 0.06 -0.04 1.46 1.51 1v8bB1 LYS 68 HD2 -0.04 -0.03 -0.10 -0.04 1.69 1.49 1v8bB1 LYS 68 HD3 -0.02 -0.03 -0.02 -0.04 1.68 1.57 1v8bB1 LYS 68 HE2 -0.04 -0.03 -0.06 -0.04 2.99 2.83 1v8bB1 LYS 68 HE3 -0.03 -0.06 -0.06 -0.04 2.99 2.80 1v8bB1 LEU 69 H -0.04 0.29 -0.78 -0.55 8.37 7.29 1v8bB1 LEU 69 HA 0.01 0.21 0.80 -0.75 4.35 4.61 1v8bB1 LEU 69 HB2 -0.06 0.17 0.12 -0.04 1.64 1.84 1v8bB1 LEU 69 HB3 -0.03 -0.19 0.14 -0.04 1.64 1.52 1v8bB1 LEU 69 HG -0.03 0.34 -0.05 -0.04 1.64 1.85 1v8bB1 LEU 69 HD13 -0.06 -0.07 -0.09 -0.04 0.93 0.66 1v8bB1 LEU 69 HD23 0.06 -0.00 -0.09 -0.04 0.89 0.81 1v8bB1 GLY 70 H -0.04 0.53 -0.35 -0.55 8.43 8.02 1v8bB1 GLY 70 HA2 -0.03 0.04 0.25 -0.51 4.01 3.76 1v8bB1 GLY 70 HA3 -0.04 0.05 0.59 -0.51 4.01 4.11 1v8bB1 ALA 71 H -0.08 0.24 0.02 -0.55 8.40 8.03 1v8bB1 ALA 71 HA -0.16 0.21 0.87 -0.75 4.34 4.50 1v8bB1 ALA 71 HB3 -0.16 -0.02 -0.08 -0.04 1.41 1.11 1v8bB1 GLN 72 H -0.05 0.71 0.38 -0.55 8.47 8.96 1v8bB1 GLN 72 HA 0.10 0.24 0.93 -0.75 4.36 4.88 1v8bB1 GLN 72 HB2 0.19 -0.05 0.10 -0.04 2.15 2.35 1v8bB1 GLN 72 HB3 0.34 0.01 0.07 -0.04 2.02 2.40 1v8bB1 GLN 72 HG2 0.08 -0.01 -0.02 -0.04 2.40 2.42 1v8bB1 GLN 72 HG3 0.02 -0.01 -0.08 -0.04 2.39 2.28 1v8bB1 GLN 72 HE21 0.02 0.00 -0.04 -0.04 6.97 6.91 1v8bB1 GLN 72 HE22 -0.02 -0.02 -0.10 -0.04 7.69 7.52 1v8bB1 ILE 73 H 0.16 0.82 0.40 -0.55 8.25 9.09 1v8bB1 ILE 73 HA 0.44 0.39 1.21 -0.75 4.18 5.46 1v8bB1 ILE 73 HB 0.08 0.02 0.04 -0.04 1.89 1.99 1v8bB1 ILE 73 HG12 0.15 -0.16 -0.15 -0.04 1.49 1.29 1v8bB1 ILE 73 HG13 0.19 0.15 -0.26 -0.04 1.21 1.26 1v8bB1 ILE 73 HG23 0.36 -0.04 -0.25 -0.04 0.93 0.96 1v8bB1 ILE 73 HD13 0.02 -0.02 -0.48 -0.04 0.88 0.36 1v8bB1 ARG 74 H 0.29 0.58 0.44 -0.55 8.46 9.22 1v8bB1 ARG 74 HA -0.09 0.19 0.91 -0.75 4.34 4.60 1v8bB1 ARG 74 HB2 -0.32 0.04 0.17 -0.04 1.90 1.76 1v8bB1 ARG 74 HB3 -0.18 -0.03 0.10 -0.04 1.80 1.65 1v8bB1 ARG 74 HG2 -0.55 -0.03 -0.01 -0.04 1.67 1.04 1v8bB1 ARG 74 HG3 -1.62 -0.08 -0.31 -0.04 1.67 -0.38 1v8bB1 ARG 74 HD2 -1.90 -0.07 -0.16 -0.04 3.22 1.04 1v8bB1 ARG 74 HD3 -2.26 0.08 -0.23 -0.04 3.22 0.76 1v8bB1 TRP 75 H 0.15 0.62 0.40 -0.55 7.97 8.59 1v8bB1 TRP 75 HA 0.00 0.21 1.17 -0.75 4.62 5.25 1v8bB1 TRP 75 HB2 -0.04 0.06 -0.27 -0.04 3.23 2.93 1v8bB1 TRP 75 HB3 -0.05 -0.09 -0.09 -0.04 3.23 2.97 1v8bB1 TRP 75 HD1 -0.03 -0.08 -0.27 -0.04 7.22 6.80 1v8bB1 TRP 75 HE1 -0.04 0.09 -0.10 -0.04 10.20 10.11 1v8bB1 TRP 75 HE3 -0.01 0.16 -0.15 -0.04 7.59 7.55 1v8bB1 TRP 75 HZ2 -0.11 -0.11 -0.12 -0.04 7.44 7.07 1v8bB1 TRP 75 HZ3 -0.04 0.10 -0.17 -0.04 7.13 6.97 1v8bB1 TRP 75 HH2 -0.11 -0.02 -0.11 -0.04 7.19 6.91 1v8bB1 CYS 76 H -0.39 0.49 0.31 -0.55 8.50 8.36 1v8bB1 CYS 76 HA 0.14 0.15 0.64 -0.75 4.58 4.75 1v8bB1 CYS 76 HB2 -0.10 -0.02 0.10 -0.04 2.97 2.90 1v8bB1 CYS 76 HB3 0.00 0.20 -0.16 -0.04 2.97 2.97 1v8bB1 SER 77 H -0.02 0.24 0.17 -0.55 8.46 8.31 1v8bB1 SER 77 HA 0.07 0.28 0.52 -0.75 4.49 4.60 1v8bB1 SER 77 HB2 0.05 0.04 0.06 -0.04 3.95 4.06 1v8bB1 SER 77 HB3 -0.02 0.11 0.06 -0.04 3.93 4.04 1v8bB1 CYS 78 H -0.15 0.02 -0.18 -0.55 8.50 7.65 1v8bB1 CYS 78 HA 0.06 0.28 0.71 -0.75 4.58 4.88 1v8bB1 CYS 78 HB2 -0.10 0.00 0.21 -0.04 2.97 3.05 1v8bB1 CYS 78 HB3 -0.16 0.15 -0.24 -0.04 2.97 2.69 1v8bB1 ASN 79 H -0.02 0.19 -0.24 -0.55 8.53 7.92 1v8bB1 ASN 79 HA -0.28 0.17 0.68 -0.75 4.76 4.59 1v8bB1 ASN 79 HB2 0.09 0.10 -0.17 -0.04 2.88 2.85 1v8bB1 ASN 79 HB3 0.16 -0.11 0.05 -0.04 2.79 2.85 1v8bB1 ASN 79 HD21 0.00 0.01 0.05 -0.04 7.03 7.06 1v8bB1 ASN 79 HD22 0.03 0.04 0.07 -0.04 7.74 7.84 1v8bB1 ILE 80 H -0.44 0.21 0.10 -0.55 8.25 7.57 1v8bB1 ILE 80 HA -0.22 0.17 0.48 -0.75 4.18 3.85 1v8bB1 ILE 80 HB -0.34 0.25 0.22 -0.04 1.89 1.98 1v8bB1 ILE 80 HG12 -0.70 -0.13 0.06 -0.04 1.49 0.68 1v8bB1 ILE 80 HG13 -1.64 0.03 -0.25 -0.04 1.21 -0.69 1v8bB1 ILE 80 HG23 -0.43 -0.02 -0.09 -0.04 0.93 0.35 1v8bB1 ILE 80 HD13 -0.46 0.03 -0.03 -0.04 0.88 0.38 1v8bB1 TYR 81 H -0.08 -0.15 -0.38 -0.55 8.29 7.14 1v8bB1 TYR 81 HA 0.00 0.11 1.06 -0.75 4.56 4.98 1v8bB1 TYR 81 HB2 -0.01 -0.07 -0.06 -0.04 3.06 2.88 1v8bB1 TYR 81 HB3 0.00 0.19 0.11 -0.04 2.98 3.24 1v8bB1 TYR 81 HD2 -0.01 0.00 0.03 -0.04 7.15 7.14 1v8bB1 TYR 81 HE2 -0.01 0.11 -0.07 -0.04 6.85 6.85 1v8bB1 SER 82 H 0.09 -0.15 -0.10 -0.55 8.46 7.75 1v8bB1 SER 82 HA 0.08 0.54 0.36 -0.75 4.49 4.71 1v8bB1 SER 82 HB2 0.14 0.01 0.00 -0.04 3.95 4.06 1v8bB1 SER 82 HB3 0.13 -0.05 -0.02 -0.04 3.93 3.95 1v8bB1 THR 83 H 0.06 0.02 -0.38 -0.55 8.28 7.44 1v8bB1 THR 83 HA 0.05 0.06 0.30 -0.75 4.39 4.05 1v8bB1 THR 83 HB 0.05 -0.00 -0.39 -0.04 4.32 3.93 1v8bB1 THR 83 HG23 0.06 0.01 -0.50 -0.04 1.22 0.75 1v8bB1 ALA 84 H -0.05 0.75 0.29 -0.55 8.40 8.83 1v8bB1 ALA 84 HA -0.19 0.24 0.84 -0.75 4.34 4.48 1v8bB1 ALA 84 HB3 -0.51 0.01 0.19 -0.04 1.41 1.06 1v8bB1 ASP 85 H -0.07 0.33 0.08 -0.55 8.40 8.19 1v8bB1 ASP 85 HA 0.03 0.05 0.37 -0.75 4.63 4.33 1v8bB1 ASP 85 HB2 0.05 0.08 0.14 -0.04 2.71 2.94 1v8bB1 ASP 85 HB3 0.07 -0.01 0.07 -0.04 2.70 2.78 1v8bB1 TYR 86 H -0.24 0.15 -0.19 -0.55 8.29 7.46 1v8bB1 TYR 86 HA 0.10 0.09 0.38 -0.75 4.56 4.37 1v8bB1 TYR 86 HB2 0.36 0.04 0.01 -0.04 3.06 3.42 1v8bB1 TYR 86 HB3 0.14 0.05 0.07 -0.04 2.98 3.20 1v8bB1 TYR 86 HD2 0.10 0.02 -0.13 -0.04 7.15 7.10 1v8bB1 TYR 86 HE2 0.11 0.04 -0.00 -0.04 6.85 6.96 1v8bB1 ALA 87 H -0.36 0.24 -0.37 -0.55 8.40 7.37 1v8bB1 ALA 87 HA 0.09 0.12 0.50 -0.75 4.34 4.30 1v8bB1 ALA 87 HB3 -0.06 0.05 -0.15 -0.04 1.41 1.21 1v8bB1 ALA 88 H -0.04 0.42 -0.08 -0.55 8.40 8.15 1v8bB1 ALA 88 HA -0.01 0.05 0.31 -0.75 4.34 3.93 1v8bB1 ALA 88 HB3 0.06 0.00 -0.00 -0.04 1.41 1.43 1v8bB1 ALA 89 H 0.05 0.47 -0.24 -0.55 8.40 8.13 1v8bB1 ALA 89 HA 0.03 0.06 0.30 -0.75 4.34 3.98 1v8bB1 ALA 89 HB3 0.07 0.01 -0.05 -0.04 1.41 1.39 1v8bB1 ALA 90 H 0.06 0.32 -0.28 -0.55 8.40 7.96 1v8bB1 ALA 90 HA 0.02 0.05 0.40 -0.75 4.34 4.06 1v8bB1 ALA 90 HB3 0.05 0.01 0.04 -0.04 1.41 1.47 1v8bB1 VAL 91 H -0.03 0.53 -0.21 -0.55 8.24 7.99 1v8bB1 VAL 91 HA -0.07 0.06 0.41 -0.75 4.13 3.78 1v8bB1 VAL 91 HB -0.12 -0.06 0.04 -0.04 2.12 1.94 1v8bB1 VAL 91 HG13 -0.11 0.01 -0.12 -0.04 0.97 0.71 1v8bB1 VAL 91 HG23 -0.21 0.00 -0.08 -0.04 0.95 0.62 1v8bB1 SER 92 H -0.04 0.41 -0.31 -0.55 8.46 7.98 1v8bB1 SER 92 HA -0.07 0.06 0.23 -0.75 4.49 3.95 1v8bB1 SER 92 HB2 -0.06 -0.07 0.13 -0.04 3.95 3.90 1v8bB1 SER 92 HB3 -0.05 -0.05 0.06 -0.04 3.93 3.86 1v8bB1 THR 93 H -0.03 0.18 -0.86 -0.55 8.28 7.02 1v8bB1 THR 93 HA -0.02 0.04 0.56 -0.75 4.39 4.22 1v8bB1 THR 93 HB -0.01 0.36 0.15 -0.04 4.32 4.77 1v8bB1 THR 93 HG23 -0.01 -0.04 -0.18 -0.04 1.22 0.95 1v8bB1 LEU 94 H -0.04 0.25 -0.09 -0.55 8.37 7.94 1v8bB1 LEU 94 HA -0.03 -0.05 0.36 -0.75 4.35 3.87 1v8bB1 LEU 94 HB2 -0.06 0.12 0.03 -0.04 1.64 1.69 1v8bB1 LEU 94 HB3 -0.04 0.08 -0.01 -0.04 1.64 1.63 1v8bB1 LEU 94 HG -0.07 -0.06 -0.02 -0.04 1.64 1.46 1v8bB1 LEU 94 HD13 -0.04 -0.01 -0.00 -0.04 0.93 0.84 1v8bB1 LEU 94 HD23 -0.06 -0.02 0.08 -0.04 0.89 0.85 1v8bB1 GLU 95 H -0.02 0.04 0.15 -0.55 8.60 8.23 1v8bB1 GLU 95 HA -0.01 0.09 0.55 -0.75 4.29 4.16 1v8bB1 GLU 95 HB2 -0.01 0.02 0.06 -0.04 2.09 2.13 1v8bB1 GLU 95 HB3 0.00 0.01 0.06 -0.04 1.99 2.01 1v8bB1 GLU 95 HG2 -0.01 -0.05 0.12 -0.04 2.34 2.35 1v8bB1 GLU 95 HG3 -0.01 -0.00 0.05 -0.04 2.34 2.34 1v8bB1 ASN 96 H 0.00 0.13 0.17 -0.55 8.53 8.29 1v8bB1 ASN 96 HA 0.03 0.02 0.33 -0.75 4.76 4.39 1v8bB1 ASN 96 HB2 0.02 0.29 0.13 -0.04 2.88 3.28 1v8bB1 ASN 96 HB3 0.06 -0.07 0.27 -0.04 2.79 3.00 1v8bB1 ASN 96 HD21 0.01 -0.04 -0.10 -0.04 7.03 6.86 1v8bB1 ASN 96 HD22 0.01 0.12 -0.18 -0.04 7.74 7.65 1v8bB1 VAL 97 H -0.02 0.30 -0.28 -0.55 8.24 7.69 1v8bB1 VAL 97 HA -0.00 0.24 0.96 -0.75 4.13 4.58 1v8bB1 VAL 97 HB -0.05 0.15 -0.14 -0.04 2.12 2.04 1v8bB1 VAL 97 HG13 -0.08 -0.07 -0.34 -0.04 0.97 0.44 1v8bB1 VAL 97 HG23 -0.04 0.03 -0.33 -0.04 0.95 0.56 1v8bB1 THR 98 H -0.08 0.69 0.28 -0.55 8.28 8.62 1v8bB1 THR 98 HA -0.19 0.14 0.91 -0.75 4.39 4.50 1v8bB1 THR 98 HB -0.21 -0.01 0.11 -0.04 4.32 4.16 1v8bB1 THR 98 HG23 -0.45 -0.03 -0.30 -0.04 1.22 0.40 1v8bB1 VAL 99 H -0.34 0.18 0.17 -0.55 8.24 7.70 1v8bB1 VAL 99 HA -0.11 0.26 1.08 -0.75 4.13 4.60 1v8bB1 VAL 99 HB -0.09 0.00 0.01 -0.04 2.12 2.00 1v8bB1 VAL 99 HG13 0.06 -0.04 -0.22 -0.04 0.97 0.73 1v8bB1 VAL 99 HG23 -0.06 0.01 -0.38 -0.04 0.95 0.48 1v8bB1 PHE 100 H 0.11 0.69 0.26 -0.55 8.34 8.86 1v8bB1 PHE 100 HA 0.30 0.21 0.97 -0.75 4.62 5.35 1v8bB1 PHE 100 HB2 -0.00 0.01 0.29 -0.04 3.15 3.41 1v8bB1 PHE 100 HB3 0.27 -0.06 0.14 -0.04 3.06 3.36 1v8bB1 PHE 100 HD2 0.14 -0.01 -0.05 -0.04 7.28 7.31 1v8bB1 PHE 100 HE2 -0.06 0.12 -0.15 -0.04 7.38 7.25 1v8bB1 PHE 100 HZ -0.13 0.10 -0.17 -0.04 7.32 7.08 1v8bB1 ALA 101 H 0.37 0.58 0.15 -0.55 8.40 8.95 1v8bB1 ALA 101 HA -0.18 0.04 0.54 -0.75 4.34 3.99 1v8bB1 ALA 101 HB3 0.07 -0.02 -0.07 -0.04 1.41 1.35 1v8bB1 TRP 102 H -0.35 0.31 0.16 -0.55 7.97 7.55 1v8bB1 TRP 102 HA 0.04 -0.01 0.47 -0.75 4.62 4.37 1v8bB1 TRP 102 HB2 0.04 0.02 0.08 -0.04 3.23 3.34 1v8bB1 TRP 102 HB3 0.05 0.06 -0.10 -0.04 3.23 3.21 1v8bB1 TRP 102 HD1 0.05 0.33 -0.42 -0.04 7.22 7.14 1v8bB1 TRP 102 HE1 0.03 -0.02 -0.11 -0.04 10.20 10.06 1v8bB1 TRP 102 HE3 0.12 0.10 -0.42 -0.04 7.59 7.35 1v8bB1 TRP 102 HZ2 -0.00 -0.08 -0.05 -0.04 7.44 7.27 1v8bB1 TRP 102 HZ3 0.29 0.10 -0.14 -0.04 7.13 7.34 1v8bB1 TRP 102 HH2 -0.01 0.05 -0.08 -0.04 7.19 7.11 1v8bB1 LYS 103 H 0.24 0.07 0.10 -0.55 8.42 8.27 1v8bB1 LYS 103 HA 0.10 -0.03 0.49 -0.75 4.32 4.13 1v8bB1 LYS 103 HB2 0.10 0.06 0.15 -0.04 1.87 2.14 1v8bB1 LYS 103 HB3 0.14 -0.02 0.11 -0.04 1.79 1.99 1v8bB1 LYS 103 HG2 0.15 -0.03 0.04 -0.04 1.46 1.59 1v8bB1 LYS 103 HG3 0.13 0.14 0.14 -0.04 1.46 1.82 1v8bB1 LYS 103 HD2 0.06 -0.01 0.10 -0.04 1.69 1.81 1v8bB1 LYS 103 HD3 0.08 -0.07 0.04 -0.04 1.68 1.69 1v8bB1 LYS 103 HE2 0.04 0.00 0.04 -0.04 2.99 3.03 1v8bB1 LYS 103 HE3 0.03 -0.10 0.06 -0.04 2.99 2.95 1v8bB1 ASN 104 H 0.21 0.29 0.41 -0.55 8.53 8.89 1v8bB1 ASN 104 HA 0.32 0.03 0.42 -0.75 4.76 4.77 1v8bB1 ASN 104 HB2 0.21 0.25 0.07 -0.04 2.88 3.37 1v8bB1 ASN 104 HB3 0.19 -0.03 0.24 -0.04 2.79 3.15 1v8bB1 ASN 104 HD21 0.07 0.03 -0.02 -0.04 7.03 7.07 1v8bB1 ASN 104 HD22 0.12 0.05 -0.16 -0.04 7.74 7.71 1v8bB1 GLU 105 H -0.08 0.18 0.09 -0.55 8.60 8.23 1v8bB1 GLU 105 HA 0.32 0.13 0.57 -0.75 4.29 4.55 1v8bB1 GLU 105 HB2 -0.33 -0.01 -0.06 -0.04 2.09 1.65 1v8bB1 GLU 105 HB3 -1.29 0.05 -0.02 -0.04 1.99 0.69 1v8bB1 GLU 105 HG2 -0.38 0.25 0.18 -0.04 2.34 2.36 1v8bB1 GLU 105 HG3 -0.26 -0.17 0.09 -0.04 2.34 1.96 1v8bB1 THR 106 H 0.17 0.13 0.16 -0.55 8.28 8.19 1v8bB1 THR 106 HA 0.05 0.19 0.53 -0.75 4.39 4.41 1v8bB1 THR 106 HB 0.08 -0.02 0.16 -0.04 4.32 4.50 1v8bB1 THR 106 HG23 0.12 0.07 0.07 -0.04 1.22 1.44 1v8bB1 LEU 107 H 0.04 0.22 0.16 -0.55 8.37 8.24 1v8bB1 LEU 107 HA -0.02 0.08 0.39 -0.75 4.35 4.04 1v8bB1 LEU 107 HB2 0.10 0.05 0.09 -0.04 1.64 1.83 1v8bB1 LEU 107 HB3 0.17 0.03 0.04 -0.04 1.64 1.83 1v8bB1 LEU 107 HG -0.03 0.05 0.07 -0.04 1.64 1.70 1v8bB1 LEU 107 HD13 0.03 -0.00 -0.06 -0.04 0.93 0.85 1v8bB1 LEU 107 HD23 -0.16 0.00 0.01 -0.04 0.89 0.70 1v8bB1 GLU 108 H 0.13 0.09 -0.16 -0.55 8.60 8.12 1v8bB1 GLU 108 HA 0.26 0.11 0.41 -0.75 4.29 4.32 1v8bB1 GLU 108 HB2 0.12 0.01 0.09 -0.04 2.09 2.26 1v8bB1 GLU 108 HB3 0.11 -0.03 0.04 -0.04 1.99 2.08 1v8bB1 GLU 108 HG2 0.14 0.03 -0.13 -0.04 2.34 2.34 1v8bB1 GLU 108 HG3 0.12 0.03 0.02 -0.04 2.34 2.47 1v8bB1 GLU 109 H 0.14 0.01 -0.26 -0.55 8.60 7.95 1v8bB1 GLU 109 HA 0.21 0.14 0.38 -0.75 4.29 4.27 1v8bB1 GLU 109 HB2 0.12 0.01 0.05 -0.04 2.09 2.22 1v8bB1 GLU 109 HB3 0.34 0.08 0.01 -0.04 1.99 2.38 1v8bB1 GLU 109 HG2 0.16 0.12 0.00 -0.04 2.34 2.58 1v8bB1 GLU 109 HG3 0.16 -0.13 0.05 -0.04 2.34 2.38 1v8bB1 TYR 110 H 0.10 0.38 -0.39 -0.55 8.29 7.83 1v8bB1 TYR 110 HA -0.26 0.04 0.33 -0.75 4.56 3.91 1v8bB1 TYR 110 HB2 -0.31 0.00 -0.04 -0.04 3.06 2.68 1v8bB1 TYR 110 HB3 -0.36 0.16 0.12 -0.04 2.98 2.85 1v8bB1 TYR 110 HD2 -1.11 0.02 -0.16 -0.04 7.15 5.87 1v8bB1 TYR 110 HE2 -1.05 -0.03 -0.22 -0.04 6.85 5.51 1v8bB1 TRP 111 H 0.20 0.43 -0.13 -0.55 7.97 7.93 1v8bB1 TRP 111 HA -0.19 -0.01 0.44 -0.75 4.62 4.11 1v8bB1 TRP 111 HB2 0.11 0.12 0.07 -0.04 3.23 3.49 1v8bB1 TRP 111 HB3 0.05 0.04 -0.01 -0.04 3.23 3.27 1v8bB1 TRP 111 HD1 0.17 0.05 -0.07 -0.04 7.22 7.33 1v8bB1 TRP 111 HE1 0.12 0.00 0.01 -0.04 10.20 10.29 1v8bB1 TRP 111 HE3 0.02 0.03 0.01 -0.04 7.59 7.61 1v8bB1 TRP 111 HZ2 -0.13 -0.06 -0.07 -0.04 7.44 7.14 1v8bB1 TRP 111 HZ3 0.08 0.07 -0.07 -0.04 7.13 7.17 1v8bB1 TRP 111 HH2 -0.14 -0.05 -0.02 -0.04 7.19 6.93 1v8bB1 TRP 112 H 0.37 0.33 -0.31 -0.55 7.97 7.82 1v8bB1 TRP 112 HA 0.05 0.06 0.37 -0.75 4.62 4.34 1v8bB1 TRP 112 HB2 0.08 0.03 0.09 -0.04 3.23 3.39 1v8bB1 TRP 112 HB3 0.06 0.13 0.14 -0.04 3.23 3.52 1v8bB1 TRP 112 HD1 0.03 -0.01 -0.01 -0.04 7.22 7.19 1v8bB1 TRP 112 HE1 -0.00 0.04 -0.03 -0.04 10.20 10.17 1v8bB1 TRP 112 HE3 0.11 0.03 -0.19 -0.04 7.59 7.50 1v8bB1 TRP 112 HZ2 0.00 0.05 -0.04 -0.04 7.44 7.41 1v8bB1 TRP 112 HZ3 0.38 -0.03 -0.05 -0.04 7.13 7.39 1v8bB1 TRP 112 HH2 0.16 0.07 -0.05 -0.04 7.19 7.33 1v8bB1 CYS 113 H 0.13 0.45 -0.22 -0.55 8.50 8.32 1v8bB1 CYS 113 HA -0.28 0.07 0.41 -0.75 4.58 4.03 1v8bB1 CYS 113 HB2 -0.22 0.04 0.18 -0.04 2.97 2.93 1v8bB1 CYS 113 HB3 -0.04 0.10 0.14 -0.04 2.97 3.12 1v8bB1 VAL 114 H -0.29 0.34 -0.20 -0.55 8.24 7.54 1v8bB1 VAL 114 HA -0.22 0.00 0.37 -0.75 4.13 3.53 1v8bB1 VAL 114 HB 0.04 0.13 0.13 -0.04 2.12 2.39 1v8bB1 VAL 114 HG13 0.04 -0.02 -0.20 -0.04 0.97 0.74 1v8bB1 VAL 114 HG23 -0.76 0.04 -0.02 -0.04 0.95 0.17 1v8bB1 GLU 115 H -0.07 0.61 -0.07 -0.55 8.60 8.53 1v8bB1 GLU 115 HA 0.15 -0.01 0.32 -0.75 4.29 3.99 1v8bB1 GLU 115 HB2 0.08 -0.07 0.06 -0.04 2.09 2.12 1v8bB1 GLU 115 HB3 -0.18 0.10 0.12 -0.04 1.99 1.98 1v8bB1 GLU 115 HG2 -0.08 0.07 -0.24 -0.04 2.34 2.06 1v8bB1 GLU 115 HG3 0.38 -0.04 -0.03 -0.04 2.34 2.60 1v8bB1 SER 116 H -0.65 0.61 -0.14 -0.55 8.46 7.73 1v8bB1 SER 116 HA -0.64 0.06 0.40 -0.75 4.49 3.56 1v8bB1 SER 116 HB2 -1.49 -0.01 0.10 -0.04 3.95 2.51 1v8bB1 SER 116 HB3 -1.88 0.02 -0.01 -0.04 3.93 2.02 1v8bB1 ALA 117 H -0.35 0.46 -0.29 -0.55 8.40 7.67 1v8bB1 ALA 117 HA -0.07 0.05 0.32 -0.75 4.34 3.89 1v8bB1 ALA 117 HB3 -0.04 -0.02 -0.11 -0.04 1.41 1.19 1v8bB1 LEU 118 H -0.05 0.37 -0.28 -0.55 8.37 7.86 1v8bB1 LEU 118 HA 0.20 0.02 0.48 -0.75 4.35 4.29 1v8bB1 LEU 118 HB2 0.27 0.08 0.04 -0.04 1.64 1.99 1v8bB1 LEU 118 HB3 0.39 -0.04 -0.03 -0.04 1.64 1.92 1v8bB1 LEU 118 HG 0.05 -0.01 -0.10 -0.04 1.64 1.54 1v8bB1 LEU 118 HD13 0.08 -0.05 -0.11 -0.04 0.93 0.80 1v8bB1 LEU 118 HD23 0.14 -0.02 -0.10 -0.04 0.89 0.86 1v8bB1 THR 119 H -0.12 0.30 -0.37 -0.55 8.28 7.54 1v8bB1 THR 119 HA 0.04 0.22 0.76 -0.75 4.39 4.65 1v8bB1 THR 119 HB -0.20 -0.00 0.17 -0.04 4.32 4.25 1v8bB1 THR 119 HG23 -0.12 -0.04 -0.13 -0.04 1.22 0.89 1v8bB1 TRP 120 H 0.33 0.85 0.09 -0.55 7.97 8.70 1v8bB1 TRP 120 HA -0.01 0.12 0.73 -0.75 4.62 4.71 1v8bB1 TRP 120 HB2 -0.02 0.06 -0.23 -0.04 3.23 3.00 1v8bB1 TRP 120 HB3 -0.00 -0.04 -0.03 -0.04 3.23 3.12 1v8bB1 TRP 120 HD1 -0.01 0.24 -0.39 -0.04 7.22 7.02 1v8bB1 TRP 120 HE1 -0.00 -0.08 -0.19 -0.04 10.20 9.89 1v8bB1 TRP 120 HE3 0.01 0.02 -0.12 -0.04 7.59 7.46 1v8bB1 TRP 120 HZ2 0.02 0.04 -0.45 -0.04 7.44 7.01 1v8bB1 TRP 120 HZ3 0.01 -0.02 -0.16 -0.04 7.13 6.92 1v8bB1 TRP 120 HH2 0.02 0.03 -0.59 -0.04 7.19 6.60 1v8bB1 GLY 121 H -0.00 0.25 -0.11 -0.55 8.43 8.01 1v8bB1 GLY 121 HA2 0.02 -0.03 0.28 -0.51 4.01 3.78 1v8bB1 GLY 121 HA3 0.07 0.15 0.70 -0.51 4.01 4.41 1v8bB1 ASP 122 H 0.02 0.35 0.17 -0.55 8.40 8.40 1v8bB1 ASP 122 HA -0.03 0.07 0.42 -0.75 4.63 4.33 1v8bB1 ASP 122 HB2 -0.03 -0.07 0.03 -0.04 2.71 2.60 1v8bB1 ASP 122 HB3 -0.03 0.14 -0.12 -0.04 2.70 2.65 1v8bB1 GLY 123 H -0.04 0.09 0.07 -0.55 8.43 8.00 1v8bB1 GLY 123 HA2 -0.03 -0.03 0.28 -0.51 4.01 3.73 1v8bB1 GLY 123 HA3 -0.01 0.10 0.61 -0.51 4.01 4.20 1v8bB1 ASP 124 H -0.01 0.09 0.14 -0.55 8.40 8.07 1v8bB1 ASP 124 HA -0.02 -0.02 0.41 -0.75 4.63 4.26 1v8bB1 ASP 124 HB2 -0.00 0.05 0.08 -0.04 2.71 2.80 1v8bB1 ASP 124 HB3 -0.01 0.02 0.04 -0.04 2.70 2.71 1v8bB1 ASP 125 H -0.02 0.06 0.12 -0.55 8.40 8.02 1v8bB1 ASP 125 HA -0.03 -0.03 0.37 -0.75 4.63 4.19 1v8bB1 ASP 125 HB2 -0.01 0.17 -0.01 -0.04 2.71 2.82 1v8bB1 ASP 125 HB3 -0.04 0.07 0.14 -0.04 2.70 2.84 1v8bB1 ASN 126 H -0.02 0.01 -0.04 -0.55 8.53 7.93 1v8bB1 ASN 126 HA 0.05 0.37 0.48 -0.75 4.76 4.91 1v8bB1 ASN 126 HB2 -0.05 0.24 -0.21 -0.04 2.88 2.82 1v8bB1 ASN 126 HB3 -0.09 -0.07 -0.10 -0.04 2.79 2.49 1v8bB1 ASN 126 HD21 -0.15 0.04 -0.09 -0.04 7.03 6.78 1v8bB1 ASN 126 HD22 -0.22 -0.06 -0.09 -0.04 7.74 7.33 1v8bB1 GLY 127 H -0.01 -0.01 -0.13 -0.55 8.43 7.73 1v8bB1 GLY 127 HA2 0.20 0.41 0.96 -0.51 4.01 5.08 1v8bB1 GLY 127 HA3 0.04 -0.05 0.28 -0.51 4.01 3.77 1v8bB1 PRO 128 HA -0.82 0.13 0.56 -0.51 4.44 3.80 1v8bB1 PRO 128 HB2 -0.06 0.05 0.07 -0.04 2.28 2.30 1v8bB1 PRO 128 HB3 0.33 0.06 -0.06 -0.04 2.02 2.31 1v8bB1 PRO 128 HG2 -0.03 -0.03 -0.16 -0.04 2.03 1.77 1v8bB1 PRO 128 HG3 0.14 -0.08 -0.02 -0.04 2.03 2.03 1v8bB1 PRO 128 HD2 0.10 -0.01 0.14 -0.04 3.68 3.88 1v8bB1 PRO 128 HD3 0.32 0.43 0.21 -0.04 3.65 4.58 1v8bB1 ASP 129 H -0.30 0.60 0.42 -0.55 8.40 8.57 1v8bB1 ASP 129 HA -0.05 0.28 0.80 -0.75 4.63 4.91 1v8bB1 ASP 129 HB2 -0.03 -0.02 0.27 -0.04 2.71 2.89 1v8bB1 ASP 129 HB3 0.32 -0.01 0.14 -0.04 2.70 3.11 1v8bB1 MET 130 H -0.08 0.42 0.35 -0.55 8.47 8.61 1v8bB1 MET 130 HA -0.07 0.22 0.88 -0.75 4.52 4.80 1v8bB1 MET 130 HB2 -0.01 -0.06 -0.05 -0.04 2.15 1.99 1v8bB1 MET 130 HB3 0.01 -0.03 0.04 -0.04 2.03 2.01 1v8bB1 MET 130 HG2 0.12 0.09 -0.12 -0.04 2.63 2.67 1v8bB1 MET 130 HG3 0.16 -0.06 -0.42 -0.04 2.56 2.20 1v8bB1 MET 130 HE3 -0.13 -0.01 -0.13 -0.04 2.10 1.79 1v8bB1 ILE 131 H -0.06 0.51 0.39 -0.55 8.25 8.54 1v8bB1 ILE 131 HA -0.05 0.43 1.18 -0.75 4.18 4.98 1v8bB1 ILE 131 HB -0.05 -0.08 0.02 -0.04 1.89 1.75 1v8bB1 ILE 131 HG12 -0.02 0.11 -0.14 -0.04 1.49 1.39 1v8bB1 ILE 131 HG13 -0.12 0.02 -0.54 -0.04 1.21 0.54 1v8bB1 ILE 131 HG23 -0.05 -0.05 -0.29 -0.04 0.93 0.50 1v8bB1 ILE 131 HD13 -0.06 -0.02 -0.21 -0.04 0.88 0.55 1v8bB1 VAL 132 H -0.17 0.70 0.33 -0.55 8.24 8.55 1v8bB1 VAL 132 HA -0.02 0.16 0.96 -0.75 4.13 4.48 1v8bB1 VAL 132 HB -0.32 -0.06 0.19 -0.04 2.12 1.89 1v8bB1 VAL 132 HG13 0.11 -0.02 -0.09 -0.04 0.97 0.93 1v8bB1 VAL 132 HG23 0.09 0.05 -0.16 -0.04 0.95 0.88 1v8bB1 ASP 133 H -0.01 0.49 0.23 -0.55 8.40 8.55 1v8bB1 ASP 133 HA -0.11 0.28 1.02 -0.75 4.63 5.07 1v8bB1 ASP 133 HB2 0.01 0.18 -0.07 -0.04 2.71 2.78 1v8bB1 ASP 133 HB3 0.01 -0.16 -0.02 -0.04 2.70 2.49 1v8bB1 ASP 134 H -0.05 0.26 0.18 -0.55 8.40 8.25 1v8bB1 ASP 134 HA 0.02 -0.09 0.88 -0.75 4.63 4.69 1v8bB1 ASP 134 HB2 0.03 0.15 -0.06 -0.04 2.71 2.79 1v8bB1 ASP 134 HB3 -0.10 0.06 0.39 -0.04 2.70 3.01 1v8bB1 GLY 135 H 0.01 0.10 0.15 -0.55 8.43 8.14 1v8bB1 GLY 135 HA2 -0.00 -0.07 0.38 -0.51 4.01 3.81 1v8bB1 GLY 135 HA3 0.02 0.32 0.97 -0.51 4.01 4.81 1v8bB1 GLY 136 H 0.03 -0.01 -0.06 -0.55 8.43 7.84 1v8bB1 GLY 136 HA2 0.05 0.03 0.28 -0.51 4.01 3.87 1v8bB1 GLY 136 HA3 0.05 0.26 0.50 -0.51 4.01 4.31 1v8bB1 ASP 137 H 0.08 0.08 -0.20 -0.55 8.40 7.82 1v8bB1 ASP 137 HA 0.20 0.15 0.40 -0.75 4.63 4.63 1v8bB1 ASP 137 HB2 0.05 -0.04 0.08 -0.04 2.71 2.76 1v8bB1 ASP 137 HB3 0.06 0.12 -0.07 -0.04 2.70 2.76 1v8bB1 ALA 138 H 0.02 0.01 -0.11 -0.55 8.40 7.78 1v8bB1 ALA 138 HA 0.06 0.18 0.35 -0.75 4.34 4.17 1v8bB1 ALA 138 HB3 -0.03 0.04 -0.07 -0.04 1.41 1.31 1v8bB1 THR 139 H 0.09 -0.13 -0.36 -0.55 8.28 7.33 1v8bB1 THR 139 HA 0.29 0.18 0.30 -0.75 4.39 4.42 1v8bB1 THR 139 HB 0.08 0.01 0.00 -0.04 4.32 4.38 1v8bB1 THR 139 HG23 0.13 0.04 -0.12 -0.04 1.22 1.22 1v8bB1 LEU 140 H 0.10 0.38 -0.31 -0.55 8.37 7.99 1v8bB1 LEU 140 HA 0.05 0.05 0.37 -0.75 4.35 4.06 1v8bB1 LEU 140 HB2 0.02 0.04 0.08 -0.04 1.64 1.74 1v8bB1 LEU 140 HB3 0.09 0.07 0.19 -0.04 1.64 1.95 1v8bB1 LEU 140 HG -0.09 0.02 -0.28 -0.04 1.64 1.25 1v8bB1 LEU 140 HD13 -0.05 -0.00 -0.03 -0.04 0.93 0.80 1v8bB1 LEU 140 HD23 -0.33 -0.02 -0.06 -0.04 0.89 0.43 1v8bB1 LEU 141 H 0.14 0.54 -0.09 -0.55 8.37 8.41 1v8bB1 LEU 141 HA 0.02 -0.02 0.32 -0.75 4.35 3.93 1v8bB1 LEU 141 HB2 0.19 -0.04 0.08 -0.04 1.64 1.83 1v8bB1 LEU 141 HB3 -0.12 0.15 0.07 -0.04 1.64 1.71 1v8bB1 LEU 141 HG -1.20 0.05 -0.24 -0.04 1.64 0.21 1v8bB1 LEU 141 HD13 -0.50 -0.02 -0.01 -0.04 0.93 0.36 1v8bB1 LEU 141 HD23 -0.04 0.01 -0.12 -0.04 0.89 0.70 1v8bB1 VAL 142 H -0.05 0.37 -0.37 -0.55 8.24 7.64 1v8bB1 VAL 142 HA -0.34 0.05 0.41 -0.75 4.13 3.49 1v8bB1 VAL 142 HB 0.21 0.04 0.08 -0.04 2.12 2.41 1v8bB1 VAL 142 HG13 0.23 0.02 -0.12 -0.04 0.97 1.06 1v8bB1 VAL 142 HG23 0.12 0.07 -0.04 -0.04 0.95 1.06 1v8bB1 HIS 143 H 0.19 0.50 -0.06 -0.55 8.41 8.49 1v8bB1 HIS 143 HA -0.00 0.10 0.45 -0.75 4.63 4.42 1v8bB1 HIS 143 HB2 -0.02 0.03 0.16 -0.04 3.26 3.39 1v8bB1 HIS 143 HB3 -0.04 -0.01 -0.04 -0.04 3.20 3.07 1v8bB1 HIS 143 HD2 -0.11 0.25 0.00 -0.04 6.97 7.07 1v8bB1 HIS 143 HE1 -0.86 -0.01 -0.03 -0.04 7.75 6.81 1v8bB1 LYS 144 H 0.07 0.74 -0.07 -0.55 8.42 8.61 1v8bB1 LYS 144 HA 0.07 0.05 0.49 -0.75 4.32 4.17 1v8bB1 LYS 144 HB2 0.18 0.10 0.04 -0.04 1.87 2.16 1v8bB1 LYS 144 HB3 0.23 -0.04 -0.07 -0.04 1.79 1.88 1v8bB1 LYS 144 HG2 0.11 0.01 -0.02 -0.04 1.46 1.52 1v8bB1 LYS 144 HG3 0.28 -0.09 -0.07 -0.04 1.46 1.54 1v8bB1 LYS 144 HD2 0.35 -0.02 -0.03 -0.04 1.69 1.96 1v8bB1 LYS 144 HD3 0.06 0.03 0.01 -0.04 1.68 1.74 1v8bB1 LYS 144 HE2 0.06 -0.07 -0.05 -0.04 2.99 2.89 1v8bB1 LYS 144 HE3 0.03 0.02 -0.04 -0.04 2.99 2.96 1v8bB1 GLY 145 H -0.23 0.53 -0.24 -0.55 8.43 7.95 1v8bB1 GLY 145 HA2 -0.08 0.00 0.42 -0.51 4.01 3.84 1v8bB1 GLY 145 HA3 -0.50 0.10 0.32 -0.51 4.01 3.42 1v8bB1 VAL 146 H 0.04 0.56 -0.20 -0.55 8.24 8.09 1v8bB1 VAL 146 HA 0.15 -0.04 0.32 -0.75 4.13 3.80 1v8bB1 VAL 146 HB 0.00 0.11 0.09 -0.04 2.12 2.29 1v8bB1 VAL 146 HG13 0.03 -0.00 -0.11 -0.04 0.97 0.85 1v8bB1 VAL 146 HG23 0.11 0.03 -0.16 -0.04 0.95 0.88 1v8bB1 GLU 147 H 0.03 0.36 -0.32 -0.55 8.60 8.12 1v8bB1 GLU 147 HA -0.03 0.07 0.45 -0.75 4.29 4.03 1v8bB1 GLU 147 HB2 -0.03 0.17 0.17 -0.04 2.09 2.35 1v8bB1 GLU 147 HB3 -0.14 0.02 0.18 -0.04 1.99 2.01 1v8bB1 GLU 147 HG2 -0.27 -0.04 -0.12 -0.04 2.34 1.87 1v8bB1 GLU 147 HG3 -0.09 0.02 0.04 -0.04 2.34 2.27 1v8bB1 TYR 148 H 0.13 0.73 -0.00 -0.55 8.29 8.59 1v8bB1 TYR 148 HA 0.03 0.01 0.49 -0.75 4.56 4.33 1v8bB1 TYR 148 HB2 -0.03 0.13 0.14 -0.04 3.06 3.25 1v8bB1 TYR 148 HB3 -0.01 0.00 0.02 -0.04 2.98 2.94 1v8bB1 TYR 148 HD2 -0.03 0.13 -0.03 -0.04 7.15 7.18 1v8bB1 TYR 148 HE2 0.00 -0.04 -0.07 -0.04 6.85 6.70 1v8bB1 GLU 149 H 0.15 0.47 -0.28 -0.55 8.60 8.40 1v8bB1 GLU 149 HA 0.16 0.04 0.54 -0.75 4.29 4.27 1v8bB1 GLU 149 HB2 0.14 0.05 0.15 -0.04 2.09 2.39 1v8bB1 GLU 149 HB3 0.12 0.14 0.09 -0.04 1.99 2.30 1v8bB1 GLU 149 HG2 0.12 -0.01 0.01 -0.04 2.34 2.42 1v8bB1 GLU 149 HG3 0.22 0.12 0.05 -0.04 2.34 2.69 1v8bB1 LYS 150 H 0.08 0.39 -0.26 -0.55 8.42 8.06 1v8bB1 LYS 150 HA 0.06 0.09 0.56 -0.75 4.32 4.27 1v8bB1 LYS 150 HB2 0.03 0.03 0.12 -0.04 1.87 2.02 1v8bB1 LYS 150 HB3 0.02 0.14 0.19 -0.04 1.79 2.10 1v8bB1 LYS 150 HG2 0.00 -0.03 -0.18 -0.04 1.46 1.22 1v8bB1 LYS 150 HG3 0.02 -0.03 0.03 -0.04 1.46 1.43 1v8bB1 LYS 150 HD2 0.00 0.02 0.00 -0.04 1.69 1.67 1v8bB1 LYS 150 HD3 0.00 -0.03 -0.02 -0.04 1.68 1.59 1v8bB1 LYS 150 HE2 0.02 0.03 0.02 -0.04 2.99 3.02 1v8bB1 LYS 150 HE3 0.01 0.00 0.00 -0.04 2.99 2.96 1v8bB1 LEU 151 H 0.06 0.38 -0.11 -0.55 8.37 8.15 1v8bB1 LEU 151 HA 0.02 0.02 0.42 -0.75 4.35 4.05 1v8bB1 LEU 151 HB2 -0.03 0.12 0.16 -0.04 1.64 1.85 1v8bB1 LEU 151 HB3 0.12 0.16 0.07 -0.04 1.64 1.96 1v8bB1 LEU 151 HG -0.02 -0.04 -0.03 -0.04 1.64 1.51 1v8bB1 LEU 151 HD13 0.06 -0.02 -0.04 -0.04 0.93 0.90 1v8bB1 LEU 151 HD23 -0.02 -0.00 0.03 -0.04 0.89 0.85 1v8bB1 TYR 152 H 0.22 0.42 -0.33 -0.55 8.29 8.05 1v8bB1 TYR 152 HA 0.04 -0.14 0.60 -0.75 4.56 4.30 1v8bB1 TYR 152 HB2 0.06 0.13 0.11 -0.04 3.06 3.32 1v8bB1 TYR 152 HB3 0.05 0.12 0.15 -0.04 2.98 3.26 1v8bB1 TYR 152 HD2 0.02 0.04 -0.32 -0.04 7.15 6.85 1v8bB1 TYR 152 HE2 0.01 0.01 -0.10 -0.04 6.85 6.73 1v8bB1 GLU 153 H 0.10 0.37 -0.21 -0.55 8.60 8.31 1v8bB1 GLU 153 HA -0.10 0.06 0.50 -0.75 4.29 4.00 1v8bB1 GLU 153 HB2 0.08 0.16 0.21 -0.04 2.09 2.50 1v8bB1 GLU 153 HB3 0.03 0.04 0.14 -0.04 1.99 2.16 1v8bB1 GLU 153 HG2 -0.01 -0.02 0.22 -0.04 2.34 2.49 1v8bB1 GLU 153 HG3 0.03 -0.03 0.09 -0.04 2.34 2.38 1v8bB1 GLU 154 H -0.04 -0.00 -0.74 -0.55 8.60 7.27 1v8bB1 GLU 154 HA -0.04 0.21 1.00 -0.75 4.29 4.71 1v8bB1 GLU 154 HB2 -0.01 0.01 0.11 -0.04 2.09 2.15 1v8bB1 GLU 154 HB3 -0.02 -0.06 -0.01 -0.04 1.99 1.86 1v8bB1 GLU 154 HG2 -0.01 -0.01 -0.04 -0.04 2.34 2.23 1v8bB1 GLU 154 HG3 -0.00 0.06 -0.28 -0.04 2.34 2.08 1v8bB1 LYS 155 H -0.03 0.50 0.21 -0.55 8.42 8.54 1v8bB1 LYS 155 HA -0.03 0.19 0.87 -0.75 4.32 4.59 1v8bB1 LYS 155 HB2 0.01 -0.01 0.07 -0.04 1.87 1.90 1v8bB1 LYS 155 HB3 -0.00 -0.03 0.14 -0.04 1.79 1.85 1v8bB1 LYS 155 HG2 -0.00 0.03 0.06 -0.04 1.46 1.51 1v8bB1 LYS 155 HG3 -0.00 -0.05 0.02 -0.04 1.46 1.39 1v8bB1 LYS 155 HD2 -0.01 -0.03 -0.04 -0.04 1.69 1.57 1v8bB1 LYS 155 HD3 -0.02 0.17 -0.45 -0.04 1.68 1.34 1v8bB1 LYS 155 HE2 -0.01 0.00 -0.06 -0.04 2.99 2.88 1v8bB1 LYS 155 HE3 -0.01 0.00 -0.09 -0.04 2.99 2.85 1v8bB1 ASN 156 H -0.16 0.16 -0.05 -0.55 8.53 7.94 1v8bB1 ASN 156 HA -0.62 0.26 0.42 -0.75 4.76 4.07 1v8bB1 ASN 156 HB2 -0.14 -0.03 -0.37 -0.04 2.88 2.29 1v8bB1 ASN 156 HB3 -0.08 -0.02 0.23 -0.04 2.79 2.88 1v8bB1 ASN 156 HD21 -0.07 -0.03 0.01 -0.04 7.03 6.91 1v8bB1 ASN 156 HD22 -0.03 -0.04 0.07 -0.04 7.74 7.70 1v8bB1 ILE 157 H 0.06 0.16 -0.20 -0.55 8.25 7.72 1v8bB1 ILE 157 HA 0.11 0.15 0.85 -0.75 4.18 4.54 1v8bB1 ILE 157 HB 0.09 -0.03 -0.06 -0.04 1.89 1.85 1v8bB1 ILE 157 HG12 0.04 0.02 -0.08 -0.04 1.49 1.43 1v8bB1 ILE 157 HG13 0.02 0.21 -0.32 -0.04 1.21 1.08 1v8bB1 ILE 157 HG23 0.09 -0.02 -0.15 -0.04 0.93 0.80 1v8bB1 ILE 157 HD13 0.03 -0.02 -0.02 -0.04 0.88 0.82 1v8bB1 LEU 158 H 0.11 0.15 0.12 -0.55 8.37 8.20 1v8bB1 LEU 158 HA 0.08 0.25 0.83 -0.75 4.35 4.75 1v8bB1 LEU 158 HB2 0.02 -0.06 -0.00 -0.04 1.64 1.56 1v8bB1 LEU 158 HB3 -0.07 0.04 -0.04 -0.04 1.64 1.54 1v8bB1 LEU 158 HG 0.17 0.02 -0.27 -0.04 1.64 1.52 1v8bB1 LEU 158 HD13 -0.03 -0.00 -0.06 -0.04 0.93 0.79 1v8bB1 LEU 158 HD23 -0.41 0.03 -0.08 -0.04 0.89 0.40 1v8bB1 PRO 159 HA -0.07 0.02 0.46 -0.51 4.44 4.34 1v8bB1 PRO 159 HB2 -0.58 -0.04 -0.00 -0.04 2.28 1.62 1v8bB1 PRO 159 HB3 -1.62 0.03 0.05 -0.04 2.02 0.43 1v8bB1 PRO 159 HG2 -0.32 0.03 0.13 -0.04 2.03 1.83 1v8bB1 PRO 159 HG3 -0.57 0.01 -0.08 -0.04 2.03 1.36 1v8bB1 PRO 159 HD2 -0.15 0.12 0.16 -0.04 3.68 3.78 1v8bB1 PRO 159 HD3 -0.13 0.19 0.12 -0.04 3.65 3.79 1v8bB1 ASP 160 H -0.02 0.17 0.21 -0.55 8.40 8.21 1v8bB1 ASP 160 HA -0.05 0.26 0.70 -0.75 4.63 4.78 1v8bB1 ASP 160 HB2 -0.01 -0.05 0.07 -0.04 2.71 2.68 1v8bB1 ASP 160 HB3 -0.00 0.16 0.09 -0.04 2.70 2.91 1v8bB1 PRO 161 HA -0.04 0.05 0.35 -0.51 4.44 4.29 1v8bB1 PRO 161 HB2 -0.02 -0.02 0.11 -0.04 2.28 2.30 1v8bB1 PRO 161 HB3 -0.06 0.07 0.09 -0.04 2.02 2.07 1v8bB1 PRO 161 HG2 -0.02 0.03 -0.05 -0.04 2.03 1.94 1v8bB1 PRO 161 HG3 -0.04 0.06 0.03 -0.04 2.03 2.05 1v8bB1 PRO 161 HD2 -0.04 0.10 0.21 -0.04 3.68 3.90 1v8bB1 PRO 161 HD3 -0.08 0.32 0.13 -0.04 3.65 3.98 1v8bB1 GLU 162 H -0.01 0.01 -0.90 -0.55 8.60 7.15 1v8bB1 GLU 162 HA 0.00 0.11 0.43 -0.75 4.29 4.07 1v8bB1 GLU 162 HB2 0.00 0.03 -0.03 -0.04 2.09 2.05 1v8bB1 GLU 162 HB3 0.00 0.04 0.02 -0.04 1.99 2.02 1v8bB1 GLU 162 HG2 -0.01 -0.13 -0.03 -0.04 2.34 2.13 1v8bB1 GLU 162 HG3 0.00 0.07 -0.00 -0.04 2.34 2.37 1v8bB1 LYS 163 H 0.00 0.27 -0.11 -0.55 8.42 8.03 1v8bB1 LYS 163 HA 0.01 0.12 0.37 -0.75 4.32 4.07 1v8bB1 LYS 163 HB2 0.02 -0.02 0.14 -0.04 1.87 1.97 1v8bB1 LYS 163 HB3 0.02 0.00 0.08 -0.04 1.79 1.85 1v8bB1 LYS 163 HG2 0.01 0.32 0.11 -0.04 1.46 1.86 1v8bB1 LYS 163 HG3 0.02 -0.08 -0.16 -0.04 1.46 1.20 1v8bB1 LYS 163 HD2 0.05 -0.02 0.01 -0.04 1.69 1.69 1v8bB1 LYS 163 HD3 0.04 0.01 0.04 -0.04 1.68 1.73 1v8bB1 LYS 163 HE2 0.04 -0.07 0.04 -0.04 2.99 2.95 1v8bB1 LYS 163 HE3 0.08 -0.04 -0.06 -0.04 2.99 2.93 1v8bB1 ALA 164 H 0.00 0.35 -1.30 -0.55 8.40 6.90 1v8bB1 ALA 164 HA 0.01 -0.05 0.35 -0.75 4.34 3.89 1v8bB1 ALA 164 HB3 0.01 0.05 0.07 -0.04 1.41 1.49 1v8bB1 LYS 165 H 0.00 0.17 0.18 -0.55 8.42 8.22 1v8bB1 LYS 165 HA 0.00 0.19 0.50 -0.75 4.32 4.25 1v8bB1 LYS 165 HB2 -0.01 -0.08 0.06 -0.04 1.87 1.80 1v8bB1 LYS 165 HB3 -0.00 -0.02 0.16 -0.04 1.79 1.88 1v8bB1 LYS 165 HG2 0.00 0.03 -0.01 -0.04 1.46 1.44 1v8bB1 LYS 165 HG3 0.01 0.24 0.07 -0.04 1.46 1.73 1v8bB1 LYS 165 HD2 -0.00 -0.04 0.02 -0.04 1.69 1.62 1v8bB1 LYS 165 HD3 0.01 0.05 0.01 -0.04 1.68 1.71 1v8bB1 LYS 165 HE2 0.01 0.07 0.02 -0.04 2.99 3.05 1v8bB1 LYS 165 HE3 -0.01 -0.11 0.00 -0.04 2.99 2.84 1v8bB1 ASN 166 H 0.00 0.18 -0.60 -0.55 8.53 7.57 1v8bB1 ASN 166 HA -0.00 0.16 0.39 -0.75 4.76 4.55 1v8bB1 ASN 166 HB2 -0.02 0.34 -0.02 -0.04 2.88 3.13 1v8bB1 ASN 166 HB3 -0.02 -0.10 -0.15 -0.04 2.79 2.47 1v8bB1 ASN 166 HD21 -0.04 0.04 0.03 -0.04 7.03 7.01 1v8bB1 ASN 166 HD22 -0.04 0.04 -0.07 -0.04 7.74 7.63 1v8bB1 GLU 167 H 0.01 0.22 0.14 -0.55 8.60 8.42 1v8bB1 GLU 167 HA 0.03 0.20 0.45 -0.75 4.29 4.23 1v8bB1 GLU 167 HB2 0.02 0.06 0.16 -0.04 2.09 2.30 1v8bB1 GLU 167 HB3 0.03 -0.04 0.06 -0.04 1.99 1.99 1v8bB1 GLU 167 HG2 0.04 0.10 0.06 -0.04 2.34 2.49 1v8bB1 GLU 167 HG3 0.04 0.05 0.03 -0.04 2.34 2.42 1v8bB1 GLU 168 H 0.03 0.11 -0.05 -0.55 8.60 8.14 1v8bB1 GLU 168 HA 0.19 0.09 0.44 -0.75 4.29 4.26 1v8bB1 GLU 168 HB2 0.01 0.01 0.09 -0.04 2.09 2.16 1v8bB1 GLU 168 HB3 0.02 0.01 0.01 -0.04 1.99 1.99 1v8bB1 GLU 168 HG2 0.53 0.02 0.06 -0.04 2.34 2.91 1v8bB1 GLU 168 HG3 -0.03 -0.00 0.01 -0.04 2.34 2.27 1v8bB1 GLU 169 H 0.03 0.06 -0.44 -0.55 8.60 7.70 1v8bB1 GLU 169 HA 0.01 0.09 0.41 -0.75 4.29 4.05 1v8bB1 GLU 169 HB2 -0.03 -0.03 -0.02 -0.04 2.09 1.97 1v8bB1 GLU 169 HB3 0.00 0.06 0.01 -0.04 1.99 2.02 1v8bB1 GLU 169 HG2 0.02 0.05 -0.12 -0.04 2.34 2.25 1v8bB1 GLU 169 HG3 -0.01 0.02 0.01 -0.04 2.34 2.31 1v8bB1 ARG 170 H 0.04 0.30 -0.32 -0.55 8.46 7.93 1v8bB1 ARG 170 HA -0.00 0.09 0.47 -0.75 4.34 4.14 1v8bB1 ARG 170 HB2 0.02 0.07 0.16 -0.04 1.90 2.10 1v8bB1 ARG 170 HB3 0.04 0.13 0.22 -0.04 1.80 2.15 1v8bB1 ARG 170 HG2 0.01 -0.06 -0.20 -0.04 1.67 1.38 1v8bB1 ARG 170 HG3 0.00 0.15 0.09 -0.04 1.67 1.87 1v8bB1 ARG 170 HD2 0.02 0.04 0.02 -0.04 3.22 3.26 1v8bB1 ARG 170 HD3 0.03 -0.06 0.02 -0.04 3.22 3.17 1v8bB1 CYS 171 H 0.10 0.32 -0.15 -0.55 8.50 8.23 1v8bB1 CYS 171 HA 0.05 0.09 0.41 -0.75 4.58 4.37 1v8bB1 CYS 171 HB2 0.36 0.07 0.03 -0.04 2.97 3.39 1v8bB1 CYS 171 HB3 0.33 0.02 -0.06 -0.04 2.97 3.22 1v8bB1 PHE 172 H -0.03 0.27 -0.39 -0.55 8.34 7.64 1v8bB1 PHE 172 HA -1.12 0.04 0.40 -0.75 4.62 3.18 1v8bB1 PHE 172 HB2 -0.98 0.00 0.09 -0.04 3.15 2.22 1v8bB1 PHE 172 HB3 -0.42 0.11 0.14 -0.04 3.06 2.85 1v8bB1 PHE 172 HD2 -1.70 0.01 -0.08 -0.04 7.28 5.47 1v8bB1 PHE 172 HE2 -0.40 0.01 -0.08 -0.04 7.38 6.86 1v8bB1 PHE 172 HZ -0.26 0.04 -0.21 -0.04 7.32 6.85 1v8bB1 LEU 173 H -0.11 0.58 -0.11 -0.55 8.37 8.19 1v8bB1 LEU 173 HA -0.47 0.03 0.38 -0.75 4.35 3.54 1v8bB1 LEU 173 HB2 -0.11 0.06 0.03 -0.04 1.64 1.57 1v8bB1 LEU 173 HB3 -0.19 0.03 -0.29 -0.04 1.64 1.14 1v8bB1 LEU 173 HG 0.03 0.03 0.00 -0.04 1.64 1.65 1v8bB1 LEU 173 HD13 -0.01 0.01 -0.23 -0.04 0.93 0.66 1v8bB1 LEU 173 HD23 -0.16 -0.01 -0.11 -0.04 0.89 0.57 1v8bB1 THR 174 H -0.13 0.50 -0.22 -0.55 8.28 7.87 1v8bB1 THR 174 HA -0.10 0.07 0.43 -0.75 4.39 4.03 1v8bB1 THR 174 HB -0.03 0.05 0.15 -0.04 4.32 4.45 1v8bB1 THR 174 HG23 -0.01 -0.01 -0.07 -0.04 1.22 1.08 1v8bB1 LEU 175 H -0.19 0.51 -0.22 -0.55 8.37 7.92 1v8bB1 LEU 175 HA -0.04 0.02 0.38 -0.75 4.35 3.96 1v8bB1 LEU 175 HB2 -0.01 -0.03 0.09 -0.04 1.64 1.65 1v8bB1 LEU 175 HB3 -0.35 0.13 0.17 -0.04 1.64 1.54 1v8bB1 LEU 175 HG -0.04 0.01 -0.24 -0.04 1.64 1.33 1v8bB1 LEU 175 HD13 0.12 -0.02 -0.11 -0.04 0.93 0.88 1v8bB1 LEU 175 HD23 -0.10 -0.02 -0.07 -0.04 0.89 0.65 1v8bB1 LEU 176 H -0.46 0.43 -0.19 -0.55 8.37 7.60 1v8bB1 LEU 176 HA -0.18 0.03 0.47 -0.75 4.35 3.92 1v8bB1 LEU 176 HB2 -0.59 0.06 0.15 -0.04 1.64 1.22 1v8bB1 LEU 176 HB3 -0.42 -0.00 -0.03 -0.04 1.64 1.15 1v8bB1 LEU 176 HG -1.11 0.06 0.01 -0.04 1.64 0.57 1v8bB1 LEU 176 HD13 -0.68 -0.02 -0.14 -0.04 0.93 0.05 1v8bB1 LEU 176 HD23 -0.45 0.01 -0.01 -0.04 0.89 0.40 1v8bB1 LYS 177 H -0.24 0.62 -0.11 -0.55 8.42 8.14 1v8bB1 LYS 177 HA -0.18 0.01 0.44 -0.75 4.32 3.84 1v8bB1 LYS 177 HB2 -0.17 0.24 0.19 -0.04 1.87 2.08 1v8bB1 LYS 177 HB3 -0.12 0.04 0.21 -0.04 1.79 1.88 1v8bB1 LYS 177 HG2 -0.09 -0.02 -0.23 -0.04 1.46 1.08 1v8bB1 LYS 177 HG3 -0.11 -0.05 -0.02 -0.04 1.46 1.24 1v8bB1 LYS 177 HD2 -0.08 0.09 -0.00 -0.04 1.69 1.66 1v8bB1 LYS 177 HD3 -0.06 -0.04 -0.01 -0.04 1.68 1.52 1v8bB1 LYS 177 HE2 -0.04 0.01 -0.06 -0.04 2.99 2.85 1v8bB1 LYS 177 HE3 -0.04 -0.01 -0.09 -0.04 2.99 2.81 1v8bB1 ASN 178 H -0.09 0.58 -0.08 -0.55 8.53 8.40 1v8bB1 ASN 178 HA -0.05 0.03 0.37 -0.75 4.76 4.35 1v8bB1 ASN 178 HB2 -0.02 0.07 0.10 -0.04 2.88 3.00 1v8bB1 ASN 178 HB3 -0.01 -0.02 -0.03 -0.04 2.79 2.70 1v8bB1 ASN 178 HD21 0.00 -0.06 -0.03 -0.04 7.03 6.90 1v8bB1 ASN 178 HD22 0.02 -0.03 -0.04 -0.04 7.74 7.64 1v8bB1 SER 179 H -0.03 0.41 -0.35 -0.55 8.46 7.94 1v8bB1 SER 179 HA -0.01 0.03 0.39 -0.75 4.49 4.15 1v8bB1 SER 179 HB2 0.16 0.03 0.11 -0.04 3.95 4.21 1v8bB1 SER 179 HB3 0.14 0.09 0.20 -0.04 3.93 4.32 1v8bB1 ILE 180 H -0.06 0.56 -0.17 -0.55 8.25 8.03 1v8bB1 ILE 180 HA -0.06 0.03 0.27 -0.75 4.18 3.65 1v8bB1 ILE 180 HB -0.20 0.11 0.12 -0.04 1.89 1.87 1v8bB1 ILE 180 HG12 0.05 -0.07 -0.00 -0.04 1.49 1.43 1v8bB1 ILE 180 HG13 0.02 0.09 0.08 -0.04 1.21 1.36 1v8bB1 ILE 180 HG23 -0.38 -0.01 -0.04 -0.04 0.93 0.46 1v8bB1 ILE 180 HD13 -0.01 -0.01 -0.12 -0.04 0.88 0.70 1v8bB1 LEU 181 H -0.12 0.45 -0.22 -0.55 8.37 7.94 1v8bB1 LEU 181 HA -0.16 0.06 0.43 -0.75 4.35 3.93 1v8bB1 LEU 181 HB2 -0.07 0.06 0.05 -0.04 1.64 1.64 1v8bB1 LEU 181 HB3 -0.06 -0.05 0.09 -0.04 1.64 1.58 1v8bB1 LEU 181 HG -0.14 0.18 0.01 -0.04 1.64 1.64 1v8bB1 LEU 181 HD13 -0.05 -0.04 -0.07 -0.04 0.93 0.72 1v8bB1 LEU 181 HD23 -0.12 -0.01 -0.04 -0.04 0.89 0.68 1v8bB1 LYS 182 H -0.07 0.16 -0.75 -0.55 8.42 7.21 1v8bB1 LYS 182 HA -0.04 0.11 0.84 -0.75 4.32 4.48 1v8bB1 LYS 182 HB2 -0.03 -0.00 0.01 -0.04 1.87 1.80 1v8bB1 LYS 182 HB3 -0.05 0.12 0.14 -0.04 1.79 1.95 1v8bB1 LYS 182 HG2 -0.05 -0.02 -0.16 -0.04 1.46 1.19 1v8bB1 LYS 182 HG3 -0.03 -0.04 0.04 -0.04 1.46 1.39 1v8bB1 LYS 182 HD2 -0.05 0.00 -0.03 -0.04 1.69 1.57 1v8bB1 LYS 182 HD3 -0.04 -0.03 -0.03 -0.04 1.68 1.54 1v8bB1 LYS 182 HE2 0.00 -0.05 -0.04 -0.04 2.99 2.86 1v8bB1 LYS 182 HE3 -0.01 -0.02 -0.03 -0.04 2.99 2.90 1v8bB1 ASN 183 H -0.07 0.43 -0.02 -0.55 8.53 8.32 1v8bB1 ASN 183 HA -0.05 0.14 0.56 -0.75 4.76 4.66 1v8bB1 ASN 183 HB2 -0.08 0.16 -0.06 -0.04 2.88 2.86 1v8bB1 ASN 183 HB3 -0.14 -0.01 0.14 -0.04 2.79 2.73 1v8bB1 ASN 183 HD21 -0.11 0.03 -0.07 -0.04 7.03 6.84 1v8bB1 ASN 183 HD22 -0.15 0.06 0.01 -0.04 7.74 7.62 1v8bB1 PRO 184 HA -0.01 0.03 0.56 -0.51 4.44 4.51 1v8bB1 PRO 184 HB2 0.16 0.02 0.15 -0.04 2.28 2.57 1v8bB1 PRO 184 HB3 0.01 0.13 0.16 -0.04 2.02 2.28 1v8bB1 PRO 184 HG2 0.05 -0.02 -0.03 -0.04 2.03 1.99 1v8bB1 PRO 184 HG3 0.10 0.06 0.03 -0.04 2.03 2.18 1v8bB1 PRO 184 HD2 -0.01 0.08 0.11 -0.04 3.68 3.82 1v8bB1 PRO 184 HD3 -0.02 0.32 0.01 -0.04 3.65 3.92 1v8bB1 LYS 185 H -0.04 0.06 -0.69 -0.55 8.42 7.20 1v8bB1 LYS 185 HA 0.03 0.18 0.78 -0.75 4.32 4.55 1v8bB1 LYS 185 HB2 -0.01 0.02 -0.06 -0.04 1.87 1.77 1v8bB1 LYS 185 HB3 -0.00 -0.03 0.10 -0.04 1.79 1.82 1v8bB1 LYS 185 HG2 0.04 -0.01 -0.46 -0.04 1.46 0.98 1v8bB1 LYS 185 HG3 0.02 0.01 -0.07 -0.04 1.46 1.37 1v8bB1 LYS 185 HD2 0.03 -0.06 0.03 -0.04 1.69 1.65 1v8bB1 LYS 185 HD3 0.05 0.09 0.21 -0.04 1.68 2.00 1v8bB1 LYS 185 HE2 0.07 0.06 -0.02 -0.04 2.99 3.06 1v8bB1 LYS 185 HE3 0.04 -0.03 -0.02 -0.04 2.99 2.93 1v8bB1 LYS 186 H -0.14 0.44 0.02 -0.55 8.42 8.18 1v8bB1 LYS 186 HA -0.24 0.09 0.36 -0.75 4.32 3.78 1v8bB1 LYS 186 HB2 -0.36 0.09 0.16 -0.04 1.87 1.72 1v8bB1 LYS 186 HB3 -0.69 -0.04 0.16 -0.04 1.79 1.18 1v8bB1 LYS 186 HG2 -1.33 -0.04 -0.32 -0.04 1.46 -0.27 1v8bB1 LYS 186 HG3 -0.54 0.03 -0.04 -0.04 1.46 0.87 1v8bB1 LYS 186 HD2 -0.45 0.04 -0.01 -0.04 1.69 1.23 1v8bB1 LYS 186 HD3 -1.00 -0.05 -0.04 -0.04 1.68 0.56 1v8bB1 LYS 186 HE2 -1.32 -0.03 -0.13 -0.04 2.99 1.47 1v8bB1 LYS 186 HE3 -0.49 0.07 -0.09 -0.04 2.99 2.44 1v8bB1 TRP 187 H -0.27 0.17 -0.11 -0.55 7.97 7.21 1v8bB1 TRP 187 HA 0.01 0.09 0.38 -0.75 4.62 4.34 1v8bB1 TRP 187 HB2 0.01 0.03 -0.24 -0.04 3.23 2.98 1v8bB1 TRP 187 HB3 0.02 0.08 0.03 -0.04 3.23 3.32 1v8bB1 TRP 187 HD1 -0.04 0.07 -0.03 -0.04 7.22 7.19 1v8bB1 TRP 187 HE1 -0.09 0.02 -0.03 -0.04 10.20 10.06 1v8bB1 TRP 187 HE3 0.02 -0.02 -0.05 -0.04 7.59 7.50 1v8bB1 TRP 187 HZ2 -0.08 -0.00 -0.07 -0.04 7.44 7.25 1v8bB1 TRP 187 HZ3 0.02 0.06 -0.14 -0.04 7.13 7.03 1v8bB1 TRP 187 HH2 -0.05 0.04 -0.08 -0.04 7.19 7.06 1v8bB1 THR 188 H 0.12 0.09 -0.41 -0.55 8.28 7.52 1v8bB1 THR 188 HA 0.10 0.06 0.40 -0.75 4.39 4.21 1v8bB1 THR 188 HB 0.05 0.06 0.08 -0.04 4.32 4.47 1v8bB1 THR 188 HG23 0.04 0.01 -0.08 -0.04 1.22 1.16 1v8bB1 ASN 189 H 0.01 0.51 -0.16 -0.55 8.53 8.34 1v8bB1 ASN 189 HA 0.02 0.07 0.44 -0.75 4.76 4.52 1v8bB1 ASN 189 HB2 -0.05 0.14 0.14 -0.04 2.88 3.07 1v8bB1 ASN 189 HB3 -0.02 -0.07 0.02 -0.04 2.79 2.67 1v8bB1 ASN 189 HD21 -0.02 -0.05 -0.03 -0.04 7.03 6.89 1v8bB1 ASN 189 HD22 -0.04 -0.02 -0.06 -0.04 7.74 7.58 1v8bB1 ILE 190 H 0.01 0.38 -0.15 -0.55 8.25 7.94 1v8bB1 ILE 190 HA 0.01 0.01 0.49 -0.75 4.18 3.94 1v8bB1 ILE 190 HB 0.14 -0.02 0.11 -0.04 1.89 2.08 1v8bB1 ILE 190 HG12 -0.02 -0.08 -0.18 -0.04 1.49 1.17 1v8bB1 ILE 190 HG13 -0.12 0.05 -0.06 -0.04 1.21 1.05 1v8bB1 ILE 190 HG23 0.18 -0.00 -0.20 -0.04 0.93 0.87 1v8bB1 ILE 190 HD13 -0.28 0.01 -0.23 -0.04 0.88 0.34 1v8bB1 ALA 191 H 0.15 0.61 -0.08 -0.55 8.40 8.53 1v8bB1 ALA 191 HA 0.17 -0.05 0.31 -0.75 4.34 4.02 1v8bB1 ALA 191 HB3 0.14 0.01 0.06 -0.04 1.41 1.58 1v8bB1 LYS 192 H 0.06 0.22 -0.57 -0.55 8.42 7.58 1v8bB1 LYS 192 HA 0.07 0.10 0.46 -0.75 4.32 4.19 1v8bB1 LYS 192 HB2 0.03 0.14 0.09 -0.04 1.87 2.09 1v8bB1 LYS 192 HB3 0.03 -0.05 0.07 -0.04 1.79 1.79 1v8bB1 LYS 192 HG2 0.04 -0.03 0.02 -0.04 1.46 1.45 1v8bB1 LYS 192 HG3 0.04 0.34 0.11 -0.04 1.46 1.91 1v8bB1 LYS 192 HD2 0.02 -0.02 0.02 -0.04 1.69 1.67 1v8bB1 LYS 192 HD3 0.03 -0.06 -0.00 -0.04 1.68 1.61 1v8bB1 LYS 192 HE2 0.02 0.06 0.04 -0.04 2.99 3.07 1v8bB1 LYS 192 HE3 0.01 -0.06 -0.01 -0.04 2.99 2.89 1v8bB1 LYS 193 H 0.02 0.39 -0.24 -0.55 8.42 8.04 1v8bB1 LYS 193 HA -0.01 0.14 0.78 -0.75 4.32 4.48 1v8bB1 LYS 193 HB2 -0.03 0.07 0.05 -0.04 1.87 1.92 1v8bB1 LYS 193 HB3 -0.03 -0.03 0.12 -0.04 1.79 1.81 1v8bB1 LYS 193 HG2 -0.00 0.13 0.05 -0.04 1.46 1.59 1v8bB1 LYS 193 HG3 -0.02 -0.14 0.06 -0.04 1.46 1.32 1v8bB1 LYS 193 HD2 -0.02 -0.02 0.02 -0.04 1.69 1.64 1v8bB1 LYS 193 HD3 -0.01 0.13 -0.14 -0.04 1.68 1.62 1v8bB1 LYS 193 HE2 -0.01 -0.01 -0.01 -0.04 2.99 2.91 1v8bB1 LYS 193 HE3 -0.00 0.02 -0.04 -0.04 2.99 2.93 1v8bB1 ILE 194 H -0.02 0.21 -0.27 -0.55 8.25 7.61 1v8bB1 ILE 194 HA -0.13 0.18 0.59 -0.75 4.18 4.07 1v8bB1 ILE 194 HB -0.40 0.08 0.05 -0.04 1.89 1.59 1v8bB1 ILE 194 HG12 -0.18 0.10 -0.18 -0.04 1.49 1.18 1v8bB1 ILE 194 HG13 -0.09 0.21 -0.08 -0.04 1.21 1.22 1v8bB1 ILE 194 HG23 -0.89 -0.06 -0.30 -0.04 0.93 -0.36 1v8bB1 ILE 194 HD13 -0.16 -0.08 -0.16 -0.04 0.88 0.44 1v8bB1 ILE 195 H -0.04 0.69 0.46 -0.55 8.25 8.81 1v8bB1 ILE 195 HA 0.02 0.09 0.46 -0.75 4.18 3.99 1v8bB1 ILE 195 HB 0.07 -0.07 0.15 -0.04 1.89 2.00 1v8bB1 ILE 195 HG12 0.06 0.18 0.32 -0.04 1.49 2.00 1v8bB1 ILE 195 HG13 0.14 -0.11 0.08 -0.04 1.21 1.28 1v8bB1 ILE 195 HG23 0.05 -0.02 -0.08 -0.04 0.93 0.84 1v8bB1 ILE 195 HD13 -0.05 -0.01 0.09 -0.04 0.88 0.87 1v8bB1 GLY 196 H -0.10 0.25 0.12 -0.55 8.43 8.16 1v8bB1 GLY 196 HA2 0.14 0.10 0.30 -0.51 4.01 4.04 1v8bB1 GLY 196 HA3 0.05 0.03 0.45 -0.51 4.01 4.03 1v8bB1 VAL 197 H 0.16 0.71 0.39 -0.55 8.24 8.96 1v8bB1 VAL 197 HA 0.01 0.25 1.04 -0.75 4.13 4.68 1v8bB1 VAL 197 HB 0.14 0.08 -0.13 -0.04 2.12 2.17 1v8bB1 VAL 197 HG13 0.30 0.01 -0.07 -0.04 0.97 1.17 1v8bB1 VAL 197 HG23 0.07 -0.05 -0.16 -0.04 0.95 0.77 1v8bB1 SER 198 H 0.03 0.53 0.34 -0.55 8.46 8.81 1v8bB1 SER 198 HA 0.04 0.17 1.15 -0.75 4.49 5.09 1v8bB1 SER 198 HB2 0.05 -0.03 0.06 -0.04 3.95 3.99 1v8bB1 SER 198 HB3 0.03 0.10 -0.06 -0.04 3.93 3.97 1v8bB1 GLU 199 H 0.04 0.55 0.27 -0.55 8.60 8.92 1v8bB1 GLU 199 HA 0.04 0.05 0.75 -0.75 4.29 4.38 1v8bB1 GLU 199 HB2 0.03 0.17 0.03 -0.04 2.09 2.28 1v8bB1 GLU 199 HB3 0.02 -0.07 -0.11 -0.04 1.99 1.79 1v8bB1 GLU 199 HG2 0.03 0.14 -0.14 -0.04 2.34 2.33 1v8bB1 GLU 199 HG3 0.02 -0.02 -0.52 -0.04 2.34 1.78 1v8bB1 GLU 200 H 0.04 0.19 0.33 -0.55 8.60 8.61 1v8bB1 GLU 200 HA 0.07 0.18 0.62 -0.75 4.29 4.40 1v8bB1 GLU 200 HB2 0.12 0.17 0.12 -0.04 2.09 2.46 1v8bB1 GLU 200 HB3 0.07 -0.13 0.36 -0.04 1.99 2.26 1v8bB1 GLU 200 HG2 0.15 -0.04 -0.01 -0.04 2.34 2.39 1v8bB1 GLU 200 HG3 0.08 -0.06 -0.22 -0.04 2.34 2.10 1v8bB1 THR 201 H 0.02 -0.10 0.16 -0.55 8.28 7.81 1v8bB1 THR 201 HA 0.01 0.41 1.11 -0.75 4.39 5.17 1v8bB1 THR 201 HB 0.02 0.07 0.00 -0.04 4.32 4.37 1v8bB1 THR 201 HG23 -0.03 -0.08 -0.04 -0.04 1.22 1.03 1v8bB1 THR 202 H -0.02 0.25 0.17 -0.55 8.28 8.13 1v8bB1 THR 202 HA -0.02 0.13 0.35 -0.75 4.39 4.09 1v8bB1 THR 202 HB -0.05 -0.02 0.09 -0.04 4.32 4.30 1v8bB1 THR 202 HG23 -0.04 0.04 -0.01 -0.04 1.22 1.17 1v8bB1 THR 203 H -0.05 0.05 -0.13 -0.55 8.28 7.60 1v8bB1 THR 203 HA -0.06 0.20 0.47 -0.75 4.39 4.25 1v8bB1 THR 203 HB -0.10 -0.11 0.11 -0.04 4.32 4.18 1v8bB1 THR 203 HG23 0.03 0.04 -0.10 -0.04 1.22 1.15 1v8bB1 GLY 204 H -0.01 -0.01 -0.20 -0.55 8.43 7.66 1v8bB1 GLY 204 HA2 0.03 0.27 0.24 -0.51 4.01 4.04 1v8bB1 GLY 204 HA3 0.02 -0.21 0.15 -0.51 4.01 3.46 1v8bB1 VAL 205 H -0.01 0.34 -0.32 -0.55 8.24 7.71 1v8bB1 VAL 205 HA -0.01 0.06 0.41 -0.75 4.13 3.84 1v8bB1 VAL 205 HB -0.01 0.13 0.07 -0.04 2.12 2.27 1v8bB1 VAL 205 HG13 -0.01 0.02 -0.09 -0.04 0.97 0.84 1v8bB1 VAL 205 HG23 0.00 0.04 -0.09 -0.04 0.95 0.86 1v8bB1 LEU 206 H -0.02 0.36 -0.19 -0.55 8.37 7.98 1v8bB1 LEU 206 HA -0.03 0.07 0.42 -0.75 4.35 4.05 1v8bB1 LEU 206 HB2 -0.04 0.05 0.17 -0.04 1.64 1.78 1v8bB1 LEU 206 HB3 -0.02 0.10 0.15 -0.04 1.64 1.83 1v8bB1 LEU 206 HG -0.04 -0.01 0.02 -0.04 1.64 1.57 1v8bB1 LEU 206 HD13 -0.02 -0.00 -0.15 -0.04 0.93 0.71 1v8bB1 LEU 206 HD23 -0.03 -0.00 0.06 -0.04 0.89 0.88 1v8bB1 ARG 207 H -0.01 0.28 -0.32 -0.55 8.46 7.86 1v8bB1 ARG 207 HA -0.03 0.08 0.40 -0.75 4.34 4.04 1v8bB1 ARG 207 HB2 -0.00 0.06 0.15 -0.04 1.90 2.07 1v8bB1 ARG 207 HB3 -0.04 0.01 -0.06 -0.04 1.80 1.67 1v8bB1 ARG 207 HG2 0.00 0.02 0.01 -0.04 1.67 1.66 1v8bB1 ARG 207 HG3 0.04 0.01 0.02 -0.04 1.67 1.70 1v8bB1 ARG 207 HD2 0.09 0.04 0.01 -0.04 3.22 3.32 1v8bB1 ARG 207 HD3 0.03 -0.00 -0.00 -0.04 3.22 3.20 1v8bB1 LEU 208 H -0.03 0.40 -0.13 -0.55 8.37 8.06 1v8bB1 LEU 208 HA -0.11 0.06 0.37 -0.75 4.35 3.92 1v8bB1 LEU 208 HB2 -0.03 0.04 0.15 -0.04 1.64 1.76 1v8bB1 LEU 208 HB3 -0.04 0.03 -0.05 -0.04 1.64 1.55 1v8bB1 LEU 208 HG -0.02 0.08 0.02 -0.04 1.64 1.68 1v8bB1 LEU 208 HD13 0.02 -0.03 -0.12 -0.04 0.93 0.76 1v8bB1 LEU 208 HD23 -0.06 0.01 -0.07 -0.04 0.89 0.73 1v8bB1 LYS 209 H -0.04 0.61 -0.15 -0.55 8.42 8.29 1v8bB1 LYS 209 HA -0.04 0.03 0.41 -0.75 4.32 3.97 1v8bB1 LYS 209 HB2 -0.03 0.07 0.14 -0.04 1.87 2.01 1v8bB1 LYS 209 HB3 -0.03 0.01 0.01 -0.04 1.79 1.73 1v8bB1 LYS 209 HG2 -0.03 0.00 0.03 -0.04 1.46 1.42 1v8bB1 LYS 209 HG3 -0.03 0.07 0.06 -0.04 1.46 1.52 1v8bB1 LYS 209 HD2 -0.02 -0.05 -0.09 -0.04 1.69 1.49 1v8bB1 LYS 209 HD3 -0.02 0.03 -0.02 -0.04 1.68 1.63 1v8bB1 LYS 209 HE2 -0.02 0.05 -0.03 -0.04 2.99 2.95 1v8bB1 LYS 209 HE3 -0.02 -0.09 -0.06 -0.04 2.99 2.78 1v8bB1 LYS 210 H -0.04 0.40 -0.28 -0.55 8.42 7.94 1v8bB1 LYS 210 HA -0.03 0.07 0.50 -0.75 4.32 4.09 1v8bB1 LYS 210 HB2 -0.04 0.09 0.15 -0.04 1.87 2.02 1v8bB1 LYS 210 HB3 -0.03 -0.01 0.02 -0.04 1.79 1.72 1v8bB1 LYS 210 HG2 -0.03 -0.02 0.02 -0.04 1.46 1.39 1v8bB1 LYS 210 HG3 -0.03 0.22 0.10 -0.04 1.46 1.71 1v8bB1 LYS 210 HD2 -0.02 0.01 -0.00 -0.04 1.69 1.63 1v8bB1 LYS 210 HD3 -0.02 -0.05 -0.01 -0.04 1.68 1.56 1v8bB1 LYS 210 HE2 -0.02 0.01 -0.14 -0.04 2.99 2.80 1v8bB1 LYS 210 HE3 -0.02 0.02 -0.02 -0.04 2.99 2.92 1v8bB1 MET 211 H -0.08 0.40 -0.19 -0.55 8.47 8.06 1v8bB1 MET 211 HA -0.07 0.11 0.45 -0.75 4.52 4.25 1v8bB1 MET 211 HB2 -0.16 0.08 0.12 -0.04 2.15 2.15 1v8bB1 MET 211 HB3 -0.17 -0.05 -0.14 -0.04 2.03 1.63 1v8bB1 MET 211 HG2 -0.13 0.01 -0.05 -0.04 2.63 2.42 1v8bB1 MET 211 HG3 -0.14 0.17 0.01 -0.04 2.56 2.56 1v8bB1 MET 211 HE3 -0.27 -0.00 -0.24 -0.04 2.10 1.55 1v8bB1 ASP 212 H -0.07 0.64 -0.04 -0.55 8.40 8.38 1v8bB1 ASP 212 HA -0.05 0.01 0.48 -0.75 4.63 4.33 1v8bB1 ASP 212 HB2 -0.06 -0.02 0.10 -0.04 2.71 2.70 1v8bB1 ASP 212 HB3 -0.05 0.05 0.15 -0.04 2.70 2.80 1v8bB1 LYS 213 H -0.04 0.34 -0.38 -0.55 8.42 7.79 1v8bB1 LYS 213 HA -0.03 0.04 0.47 -0.75 4.32 4.04 1v8bB1 LYS 213 HB2 -0.03 0.12 0.18 -0.04 1.87 2.09 1v8bB1 LYS 213 HB3 -0.03 0.11 0.12 -0.04 1.79 1.94 1v8bB1 LYS 213 HG2 -0.02 0.02 -0.04 -0.04 1.46 1.38 1v8bB1 LYS 213 HG3 -0.02 -0.03 0.08 -0.04 1.46 1.44 1v8bB1 LYS 213 HD2 -0.02 -0.00 0.00 -0.04 1.69 1.63 1v8bB1 LYS 213 HD3 -0.02 -0.03 0.00 -0.04 1.68 1.59 1v8bB1 LYS 213 HE2 -0.02 -0.01 0.00 -0.04 2.99 2.92 1v8bB1 LYS 213 HE3 -0.03 0.05 -0.05 -0.04 2.99 2.93 1v8bB1 GLN 214 H -0.03 0.25 -0.37 -0.55 8.47 7.77 1v8bB1 GLN 214 HA -0.02 0.15 0.73 -0.75 4.36 4.47 1v8bB1 GLN 214 HB2 -0.03 0.02 0.10 -0.04 2.15 2.19 1v8bB1 GLN 214 HB3 -0.02 -0.01 0.15 -0.04 2.02 2.09 1v8bB1 GLN 214 HG2 -0.02 0.00 -0.05 -0.04 2.40 2.30 1v8bB1 GLN 214 HG3 -0.03 0.05 -0.01 -0.04 2.39 2.36 1v8bB1 GLN 214 HE21 -0.02 -0.05 -0.01 -0.04 6.97 6.85 1v8bB1 GLN 214 HE22 -0.02 0.02 -0.01 -0.04 7.69 7.64 1v8bB1 ASN 215 H -0.03 0.25 -0.63 -0.55 8.53 7.58 1v8bB1 ASN 215 HA -0.02 0.01 0.35 -0.75 4.76 4.35 1v8bB1 ASN 215 HB2 -0.01 0.09 -0.07 -0.04 2.88 2.85 1v8bB1 ASN 215 HB3 -0.01 -0.01 0.18 -0.04 2.79 2.92 1v8bB1 ASN 215 HD21 -0.01 -0.03 -0.03 -0.04 7.03 6.92 1v8bB1 ASN 215 HD22 -0.01 -0.00 -0.16 -0.04 7.74 7.53 1v8bB1 GLU 216 H -0.03 0.56 -0.03 -0.55 8.60 8.55 1v8bB1 GLU 216 HA 0.01 0.26 0.83 -0.75 4.29 4.64 1v8bB1 GLU 216 HB2 -0.04 -0.12 0.02 -0.04 2.09 1.91 1v8bB1 GLU 216 HB3 0.02 -0.08 0.03 -0.04 1.99 1.93 1v8bB1 GLU 216 HG2 -0.01 0.05 -0.07 -0.04 2.34 2.27 1v8bB1 GLU 216 HG3 -0.02 0.16 -0.30 -0.04 2.34 2.14 1v8bB1 LEU 217 H -0.03 0.04 -0.16 -0.55 8.37 7.68 1v8bB1 LEU 217 HA 0.07 -0.09 0.38 -0.75 4.35 3.96 1v8bB1 LEU 217 HB2 -0.03 0.14 0.04 -0.04 1.64 1.74 1v8bB1 LEU 217 HB3 -0.05 0.13 -0.17 -0.04 1.64 1.51 1v8bB1 LEU 217 HG -0.09 -0.12 -0.12 -0.04 1.64 1.26 1v8bB1 LEU 217 HD13 -0.03 0.03 -0.19 -0.04 0.93 0.70 1v8bB1 LEU 217 HD23 -0.21 -0.00 -0.05 -0.04 0.89 0.59 1v8bB1 LEU 218 H -0.08 0.01 0.18 -0.55 8.37 7.93 1v8bB1 LEU 218 HA -0.05 0.19 0.60 -0.75 4.35 4.34 1v8bB1 LEU 218 HB2 -0.52 -0.09 0.04 -0.04 1.64 1.02 1v8bB1 LEU 218 HB3 -0.03 0.09 0.04 -0.04 1.64 1.70 1v8bB1 LEU 218 HG -0.35 0.05 0.04 -0.04 1.64 1.35 1v8bB1 LEU 218 HD13 -0.28 -0.03 -0.03 -0.04 0.93 0.55 1v8bB1 LEU 218 HD23 -0.04 0.02 -0.08 -0.04 0.89 0.75 1v8bB1 PHE 219 H -0.46 -0.00 -0.07 -0.55 8.34 7.25 1v8bB1 PHE 219 HA 0.06 0.21 0.50 -0.75 4.62 4.64 1v8bB1 PHE 219 HB2 0.05 0.06 -0.15 -0.04 3.15 3.08 1v8bB1 PHE 219 HB3 0.04 0.36 -0.09 -0.04 3.06 3.33 1v8bB1 PHE 219 HD2 0.04 0.25 -0.30 -0.04 7.28 7.23 1v8bB1 PHE 219 HE2 0.03 -0.09 -0.13 -0.04 7.38 7.15 1v8bB1 PHE 219 HZ 0.14 -0.12 -0.09 -0.04 7.32 7.21 1v8bB1 THR 220 H 0.26 0.40 0.10 -0.55 8.28 8.49 1v8bB1 THR 220 HA 0.20 0.09 0.60 -0.75 4.39 4.52 1v8bB1 THR 220 HB 0.07 0.07 0.24 -0.04 4.32 4.67 1v8bB1 THR 220 HG23 -0.15 -0.05 -0.08 -0.04 1.22 0.90 1v8bB1 ALA 221 H 0.16 0.65 0.39 -0.55 8.40 9.05 1v8bB1 ALA 221 HA 0.12 0.23 1.09 -0.75 4.34 5.03 1v8bB1 ALA 221 HB3 0.07 -0.04 -0.04 -0.04 1.41 1.36 1v8bB1 ILE 222 H 0.04 0.76 0.48 -0.55 8.25 8.98 1v8bB1 ILE 222 HA 0.04 0.22 1.11 -0.75 4.18 4.80 1v8bB1 ILE 222 HB 0.00 -0.05 0.16 -0.04 1.89 1.97 1v8bB1 ILE 222 HG12 -0.21 0.01 -0.16 -0.04 1.49 1.10 1v8bB1 ILE 222 HG13 -0.15 0.05 -0.22 -0.04 1.21 0.84 1v8bB1 ILE 222 HG23 0.03 -0.02 -0.27 -0.04 0.93 0.62 1v8bB1 ILE 222 HD13 -0.16 0.02 -0.10 -0.04 0.88 0.60 1v8bB1 ASN 223 H 0.05 0.89 0.30 -0.55 8.53 9.22 1v8bB1 ASN 223 HA 0.02 -0.06 0.62 -0.75 4.76 4.59 1v8bB1 ASN 223 HB2 0.01 0.07 0.07 -0.04 2.88 2.99 1v8bB1 ASN 223 HB3 0.03 0.11 0.20 -0.04 2.79 3.09 1v8bB1 ASN 223 HD21 -0.00 -0.03 -0.04 -0.04 7.03 6.92 1v8bB1 ASN 223 HD22 -0.00 0.14 -0.04 -0.04 7.74 7.80 1v8bB1 VAL 224 H 0.04 0.48 0.32 -0.55 8.24 8.53 1v8bB1 VAL 224 HA 0.04 0.10 0.49 -0.75 4.13 4.01 1v8bB1 VAL 224 HB 0.06 0.18 0.01 -0.04 2.12 2.33 1v8bB1 VAL 224 HG13 0.08 -0.02 -0.13 -0.04 0.97 0.85 1v8bB1 VAL 224 HG23 0.06 0.04 -0.12 -0.04 0.95 0.89 1v8bB1 ASN 225 H 0.02 0.17 -0.05 -0.55 8.53 8.13 1v8bB1 ASN 225 HA 0.01 0.12 0.42 -0.75 4.76 4.55 1v8bB1 ASN 225 HB2 0.01 0.09 -0.50 -0.04 2.88 2.44 1v8bB1 ASN 225 HB3 0.00 -0.03 -0.22 -0.04 2.79 2.51 1v8bB1 ASN 225 HD21 -0.02 -0.04 -0.09 -0.04 7.03 6.83 1v8bB1 ASN 225 HD22 -0.02 0.09 -0.37 -0.04 7.74 7.41 1v8bB1 ASP 226 H 0.00 0.12 -0.30 -0.55 8.40 7.67 1v8bB1 ASP 226 HA -0.02 0.07 0.50 -0.75 4.63 4.43 1v8bB1 ASP 226 HB2 0.00 0.06 0.01 -0.04 2.71 2.73 1v8bB1 ASP 226 HB3 -0.00 0.07 0.10 -0.04 2.70 2.83 1v8bB1 ALA 227 H -0.01 0.27 -0.76 -0.55 8.40 7.35 1v8bB1 ALA 227 HA -0.02 0.11 0.51 -0.75 4.34 4.18 1v8bB1 ALA 227 HB3 -0.01 0.02 0.08 -0.04 1.41 1.46 1v8bB1 VAL 228 H -0.09 0.23 0.18 -0.55 8.24 8.01 1v8bB1 VAL 228 HA -0.18 0.10 0.33 -0.75 4.13 3.62 1v8bB1 VAL 228 HB -0.30 -0.06 0.10 -0.04 2.12 1.81 1v8bB1 VAL 228 HG13 -0.73 0.02 -0.14 -0.04 0.97 0.07 1v8bB1 VAL 228 HG23 -0.04 0.04 0.08 -0.04 0.95 1.00 1v8bB1 THR 229 H -0.25 0.14 -0.14 -0.55 8.28 7.48 1v8bB1 THR 229 HA -1.24 0.11 0.37 -0.75 4.39 2.87 1v8bB1 THR 229 HB -0.03 0.02 0.15 -0.04 4.32 4.42 1v8bB1 THR 229 HG23 -0.14 0.04 0.05 -0.04 1.22 1.12 1v8bB1 LYS 230 H -0.23 0.46 -0.91 -0.55 8.42 7.19 1v8bB1 LYS 230 HA -0.05 0.08 0.93 -0.75 4.32 4.52 1v8bB1 LYS 230 HB2 -0.02 0.00 -0.07 -0.04 1.87 1.74 1v8bB1 LYS 230 HB3 -0.05 0.20 0.24 -0.04 1.79 2.15 1v8bB1 LYS 230 HG2 0.02 -0.11 0.09 -0.04 1.46 1.42 1v8bB1 LYS 230 HG3 0.03 0.07 -0.04 -0.04 1.46 1.47 1v8bB1 LYS 230 HD2 -0.00 0.08 0.05 -0.04 1.69 1.78 1v8bB1 LYS 230 HD3 -0.01 -0.17 -0.31 -0.04 1.68 1.15 1v8bB1 LYS 230 HE2 0.04 -0.09 0.03 -0.04 2.99 2.93 1v8bB1 LYS 230 HE3 0.04 0.18 0.09 -0.04 2.99 3.26 1v8bB1 GLN 231 H -0.11 0.64 0.21 -0.55 8.47 8.67 1v8bB1 GLN 231 HA -0.07 -0.11 0.47 -0.75 4.36 3.90 1v8bB1 GLN 231 HB2 -0.07 -0.14 0.11 -0.04 2.15 2.01 1v8bB1 GLN 231 HB3 -0.06 0.33 0.21 -0.04 2.02 2.46 1v8bB1 GLN 231 HG2 -0.11 0.08 -0.06 -0.04 2.40 2.28 1v8bB1 GLN 231 HG3 -0.10 0.03 -0.25 -0.04 2.39 2.02 1v8bB1 GLN 231 HE21 -0.02 0.02 -0.02 -0.04 6.97 6.91 1v8bB1 GLN 231 HE22 -0.04 0.03 -0.05 -0.04 7.69 7.60 1v8bB1 LYS 232 H -0.25 0.49 -0.06 -0.55 8.42 8.05 1v8bB1 LYS 232 HA -0.16 0.12 0.65 -0.75 4.32 4.17 1v8bB1 LYS 232 HB2 -0.40 0.28 0.10 -0.04 1.87 1.81 1v8bB1 LYS 232 HB3 -0.08 -0.01 0.02 -0.04 1.79 1.69 1v8bB1 LYS 232 HG2 -0.12 -0.07 -0.00 -0.04 1.46 1.22 1v8bB1 LYS 232 HG3 -0.11 -0.00 0.00 -0.04 1.46 1.31 1v8bB1 LYS 232 HD2 -0.02 -0.01 0.05 -0.04 1.69 1.67 1v8bB1 LYS 232 HD3 -0.09 -0.05 0.01 -0.04 1.68 1.51 1v8bB1 LYS 232 HE2 -0.03 -0.07 0.01 -0.04 2.99 2.86 1v8bB1 LYS 232 HE3 0.05 0.14 0.09 -0.04 2.99 3.23 1v8bB1 TYR 233 H -0.17 0.10 -0.43 -0.55 8.29 7.25 1v8bB1 TYR 233 HA -0.22 0.24 0.95 -0.75 4.56 4.78 1v8bB1 TYR 233 HB2 -0.26 0.05 0.04 -0.04 3.06 2.85 1v8bB1 TYR 233 HB3 -0.27 0.02 0.01 -0.04 2.98 2.69 1v8bB1 TYR 233 HD2 -0.87 0.11 -0.33 -0.04 7.15 6.01 1v8bB1 TYR 233 HE2 -0.23 0.03 -0.07 -0.04 6.85 6.54 1v8bB1 ASP 234 H 0.02 0.34 0.15 -0.55 8.40 8.36 1v8bB1 ASP 234 HA 0.02 0.01 0.42 -0.75 4.63 4.32 1v8bB1 ASP 234 HB2 0.06 0.03 0.20 -0.04 2.71 2.96 1v8bB1 ASP 234 HB3 0.02 0.20 0.23 -0.04 2.70 3.11 1v8bB1 ASN 235 H -0.04 0.35 -0.00 -0.55 8.53 8.30 1v8bB1 ASN 235 HA 0.03 -0.02 0.31 -0.75 4.76 4.32 1v8bB1 ASN 235 HB2 -0.08 0.44 0.11 -0.04 2.88 3.31 1v8bB1 ASN 235 HB3 -0.05 -0.17 -0.03 -0.04 2.79 2.50 1v8bB1 ASN 235 HD21 -0.02 -0.07 0.07 -0.04 7.03 6.97 1v8bB1 ASN 235 HD22 -0.04 -0.06 0.08 -0.04 7.74 7.68 1v8bB1 VAL 236 H -0.21 0.10 -0.74 -0.55 8.24 6.84 1v8bB1 VAL 236 HA -0.17 0.19 0.79 -0.75 4.13 4.18 1v8bB1 VAL 236 HB -0.72 0.11 0.06 -0.04 2.12 1.53 1v8bB1 VAL 236 HG13 -0.34 0.01 -0.13 -0.04 0.97 0.47 1v8bB1 VAL 236 HG23 -0.22 0.05 -0.01 -0.04 0.95 0.73 1v8bB1 TYR 237 H -0.52 0.38 0.13 -0.55 8.29 7.73 1v8bB1 TYR 237 HA -0.05 0.09 0.44 -0.75 4.56 4.29 1v8bB1 TYR 237 HB2 -0.08 0.04 0.10 -0.04 3.06 3.09 1v8bB1 TYR 237 HB3 -0.06 0.00 0.08 -0.04 2.98 2.96 1v8bB1 TYR 237 HD2 -0.12 -0.05 0.06 -0.04 7.15 7.00 1v8bB1 TYR 237 HE2 -0.12 -0.01 0.00 -0.04 6.85 6.69 1v8bB1 GLY 238 H -0.16 0.44 -0.09 -0.55 8.43 8.08 1v8bB1 GLY 238 HA2 -0.32 0.03 0.51 -0.51 4.01 3.72 1v8bB1 GLY 238 HA3 -1.12 0.08 0.38 -0.51 4.01 2.83 1v8bB1 CYS 239 H -0.19 0.33 -0.28 -0.55 8.50 7.81 1v8bB1 CYS 239 HA 0.08 -0.08 0.44 -0.75 4.58 4.26 1v8bB1 CYS 239 HB2 -0.03 0.25 0.12 -0.04 2.97 3.27 1v8bB1 CYS 239 HB3 0.02 -0.05 0.03 -0.04 2.97 2.93 1v8bB1 ARG 240 H -0.02 0.38 -0.35 -0.55 8.46 7.92 1v8bB1 ARG 240 HA 0.01 0.13 0.30 -0.75 4.34 4.03 1v8bB1 ARG 240 HB2 0.05 0.04 0.13 -0.04 1.90 2.08 1v8bB1 ARG 240 HB3 0.08 0.07 0.13 -0.04 1.80 2.04 1v8bB1 ARG 240 HG2 0.04 -0.00 -0.14 -0.04 1.67 1.53 1v8bB1 ARG 240 HG3 0.04 -0.03 0.03 -0.04 1.67 1.68 1v8bB1 ARG 240 HD2 0.10 -0.01 -0.02 -0.04 3.22 3.25 1v8bB1 ARG 240 HD3 0.05 0.02 -0.05 -0.04 3.22 3.20 1v8bB1 HIS 241 H 0.09 0.21 -0.59 -0.55 8.41 7.58 1v8bB1 HIS 241 HA 0.00 0.17 0.67 -0.75 4.63 4.72 1v8bB1 HIS 241 HB2 -0.00 0.05 0.10 -0.04 3.26 3.37 1v8bB1 HIS 241 HB3 -0.01 0.05 0.24 -0.04 3.20 3.43 1v8bB1 HIS 241 HD2 0.00 0.05 0.02 -0.04 6.97 6.99 1v8bB1 HIS 241 HE1 0.04 -0.01 -0.05 -0.04 7.75 7.69 1v8bB1 SER 242 H 0.17 0.58 0.15 -0.55 8.46 8.82 1v8bB1 SER 242 HA 0.09 0.14 0.52 -0.75 4.49 4.48 1v8bB1 SER 242 HB2 0.13 -0.13 -0.02 -0.04 3.95 3.90 1v8bB1 SER 242 HB3 0.29 0.16 -0.35 -0.04 3.93 3.99 1v8bB1 LEU 243 H 0.03 0.61 -0.23 -0.55 8.37 8.23 1v8bB1 LEU 243 HA 0.01 -0.10 0.41 -0.75 4.35 3.91 1v8bB1 LEU 243 HB2 0.01 -0.12 0.07 -0.04 1.64 1.56 1v8bB1 LEU 243 HB3 -0.02 0.26 0.11 -0.04 1.64 1.95 1v8bB1 LEU 243 HG -0.06 0.05 -0.41 -0.04 1.64 1.18 1v8bB1 LEU 243 HD13 -0.00 -0.04 -0.10 -0.04 0.93 0.74 1v8bB1 LEU 243 HD23 -0.04 0.02 -0.08 -0.04 0.89 0.74 1v8bB1 PRO 244 HA -0.09 0.03 0.36 -0.51 4.44 4.24 1v8bB1 PRO 244 HB2 -0.08 0.06 -0.04 -0.04 2.28 2.17 1v8bB1 PRO 244 HB3 -0.09 0.03 0.02 -0.04 2.02 1.94 1v8bB1 PRO 244 HG2 -0.12 0.12 0.06 -0.04 2.03 2.05 1v8bB1 PRO 244 HG3 -0.07 0.14 0.08 -0.04 2.03 2.15 1v8bB1 PRO 244 HD2 -0.04 0.00 -0.32 -0.04 3.68 3.28 1v8bB1 PRO 244 HD3 -0.05 0.10 0.06 -0.04 3.65 3.72 1v8bB1 ASP 245 H -0.09 0.32 -0.43 -0.55 8.40 7.65 1v8bB1 ASP 245 HA -0.06 0.07 0.41 -0.75 4.63 4.30 1v8bB1 ASP 245 HB2 -0.20 0.15 0.09 -0.04 2.71 2.72 1v8bB1 ASP 245 HB3 -0.03 -0.04 0.11 -0.04 2.70 2.70 1v8bB1 GLY 246 H -0.01 0.54 -0.18 -0.55 8.43 8.24 1v8bB1 GLY 246 HA2 0.00 0.06 0.20 -0.51 4.01 3.77 1v8bB1 GLY 246 HA3 0.00 -0.05 0.18 -0.51 4.01 3.63 1v8bB1 LEU 247 H -0.03 0.48 -0.24 -0.55 8.37 8.04 1v8bB1 LEU 247 HA 0.01 -0.01 0.39 -0.75 4.35 3.98 1v8bB1 LEU 247 HB2 -0.07 0.06 0.08 -0.04 1.64 1.67 1v8bB1 LEU 247 HB3 -0.06 0.08 -0.13 -0.04 1.64 1.49 1v8bB1 LEU 247 HG 0.09 0.03 -0.08 -0.04 1.64 1.64 1v8bB1 LEU 247 HD13 0.05 -0.02 -0.14 -0.04 0.93 0.79 1v8bB1 LEU 247 HD23 -0.19 -0.01 -0.18 -0.04 0.89 0.47 1v8bB1 MET 248 H -0.03 0.65 -0.12 -0.55 8.47 8.42 1v8bB1 MET 248 HA 0.00 -0.00 0.45 -0.75 4.52 4.21 1v8bB1 MET 248 HB2 -0.02 0.05 0.16 -0.04 2.15 2.30 1v8bB1 MET 248 HB3 -0.01 -0.02 -0.00 -0.04 2.03 1.96 1v8bB1 MET 248 HG2 -0.01 0.02 -0.01 -0.04 2.63 2.59 1v8bB1 MET 248 HG3 -0.04 0.16 0.06 -0.04 2.56 2.70 1v8bB1 MET 248 HE3 -0.07 -0.03 -0.20 -0.04 2.10 1.76 1v8bB1 ARG 249 H -0.01 0.53 -0.09 -0.55 8.46 8.34 1v8bB1 ARG 249 HA -0.01 0.05 0.47 -0.75 4.34 4.10 1v8bB1 ARG 249 HB2 -0.00 0.13 0.12 -0.04 1.90 2.10 1v8bB1 ARG 249 HB3 0.00 -0.02 0.09 -0.04 1.80 1.83 1v8bB1 ARG 249 HG2 0.01 -0.06 0.03 -0.04 1.67 1.61 1v8bB1 ARG 249 HG3 0.00 0.20 0.12 -0.04 1.67 1.96 1v8bB1 ARG 249 HD2 0.03 0.13 0.12 -0.04 3.22 3.46 1v8bB1 ARG 249 HD3 0.03 -0.03 0.03 -0.04 3.22 3.21 1v8bB1 ALA 250 H -0.03 0.33 -0.26 -0.55 8.40 7.89 1v8bB1 ALA 250 HA -0.05 0.09 0.51 -0.75 4.34 4.14 1v8bB1 ALA 250 HB3 -0.05 -0.04 0.10 -0.04 1.41 1.38 1v8bB1 THR 251 H -0.11 0.39 -0.05 -0.55 8.28 7.97 1v8bB1 THR 251 HA -0.31 0.28 1.13 -0.75 4.39 4.74 1v8bB1 THR 251 HB -1.70 0.02 0.04 -0.04 4.32 2.64 1v8bB1 THR 251 HG23 -0.27 -0.01 -0.16 -0.04 1.22 0.74 1v8bB1 ASP 252 H -0.05 0.27 0.15 -0.55 8.40 8.22 1v8bB1 ASP 252 HA 0.04 0.04 0.39 -0.75 4.63 4.35 1v8bB1 ASP 252 HB2 0.05 0.22 -0.10 -0.04 2.71 2.84 1v8bB1 ASP 252 HB3 0.08 -0.10 0.21 -0.04 2.70 2.85 1v8bB1 PHE 253 H 0.09 -0.04 -0.44 -0.55 8.34 7.39 1v8bB1 PHE 253 HA 0.07 0.11 0.51 -0.75 4.62 4.56 1v8bB1 PHE 253 HB2 0.31 -0.09 -0.07 -0.04 3.15 3.26 1v8bB1 PHE 253 HB3 0.23 0.12 -0.03 -0.04 3.06 3.33 1v8bB1 PHE 253 HD2 -0.05 0.01 -0.14 -0.04 7.28 7.06 1v8bB1 PHE 253 HE2 -0.04 0.08 0.01 -0.04 7.38 7.39 1v8bB1 PHE 253 HZ -0.02 -0.04 0.01 -0.04 7.32 7.23 1v8bB1 LEU 254 H 0.16 0.11 0.13 -0.55 8.37 8.23 1v8bB1 LEU 254 HA 0.09 0.03 0.46 -0.75 4.35 4.18 1v8bB1 LEU 254 HB2 0.05 0.02 0.11 -0.04 1.64 1.78 1v8bB1 LEU 254 HB3 0.06 0.02 0.07 -0.04 1.64 1.75 1v8bB1 LEU 254 HG 0.05 0.01 -0.15 -0.04 1.64 1.50 1v8bB1 LEU 254 HD13 0.03 -0.01 0.08 -0.04 0.93 0.98 1v8bB1 LEU 254 HD23 0.02 0.00 -0.03 -0.04 0.89 0.84 1v8bB1 ILE 255 H 0.02 0.02 0.17 -0.55 8.25 7.91 1v8bB1 ILE 255 HA -0.06 0.17 0.74 -0.75 4.18 4.28 1v8bB1 ILE 255 HB -0.08 0.00 0.04 -0.04 1.89 1.81 1v8bB1 ILE 255 HG12 -0.55 -0.01 -0.18 -0.04 1.49 0.71 1v8bB1 ILE 255 HG13 -0.09 0.16 -0.26 -0.04 1.21 0.98 1v8bB1 ILE 255 HG23 -0.22 -0.02 -0.15 -0.04 0.93 0.50 1v8bB1 ILE 255 HD13 -0.17 -0.02 -0.07 -0.04 0.88 0.58 1v8bB1 SER 256 H 0.00 -0.04 0.08 -0.55 8.46 7.96 1v8bB1 SER 256 HA 0.00 0.03 -0.06 -0.75 4.49 3.71 1v8bB1 SER 256 HB2 0.01 -0.09 0.07 -0.04 3.95 3.90 1v8bB1 SER 256 HB3 0.01 0.07 0.07 -0.04 3.93 4.04 1v8bB1 GLY 257 H 0.02 0.70 0.11 -0.55 8.43 8.72 1v8bB1 GLY 257 HA2 0.03 0.02 0.39 -0.51 4.01 3.94 1v8bB1 GLY 257 HA3 0.03 0.04 0.44 -0.51 4.01 4.01 1v8bB1 LYS 258 H 0.06 0.41 -0.68 -0.55 8.42 7.65 1v8bB1 LYS 258 HA 0.07 0.13 0.67 -0.75 4.32 4.44 1v8bB1 LYS 258 HB2 0.19 0.10 -0.03 -0.04 1.87 2.09 1v8bB1 LYS 258 HB3 0.31 -0.09 -0.02 -0.04 1.79 1.94 1v8bB1 LYS 258 HG2 0.12 0.07 -0.43 -0.04 1.46 1.18 1v8bB1 LYS 258 HG3 0.36 0.29 -0.08 -0.04 1.46 1.98 1v8bB1 LYS 258 HD2 0.07 -0.04 -0.01 -0.04 1.69 1.66 1v8bB1 LYS 258 HD3 0.05 0.00 -0.12 -0.04 1.68 1.57 1v8bB1 LYS 258 HE2 -0.04 -0.03 -0.03 -0.04 2.99 2.84 1v8bB1 LYS 258 HE3 0.03 -0.02 -0.10 -0.04 2.99 2.86 1v8bB1 ILE 259 H 0.05 0.18 0.20 -0.55 8.25 8.13 1v8bB1 ILE 259 HA 0.09 0.26 0.79 -0.75 4.18 4.57 1v8bB1 ILE 259 HB -0.07 0.02 0.27 -0.04 1.89 2.07 1v8bB1 ILE 259 HG12 0.10 0.03 -0.00 -0.04 1.49 1.57 1v8bB1 ILE 259 HG13 0.03 0.03 0.04 -0.04 1.21 1.26 1v8bB1 ILE 259 HG23 -0.25 -0.02 -0.19 -0.04 0.93 0.44 1v8bB1 ILE 259 HD13 -0.07 0.03 -0.01 -0.04 0.88 0.79 1v8bB1 VAL 260 H 0.07 0.69 0.28 -0.55 8.24 8.73 1v8bB1 VAL 260 HA 0.02 0.11 0.93 -0.75 4.13 4.44 1v8bB1 VAL 260 HB -0.05 -0.00 -0.01 -0.04 2.12 2.02 1v8bB1 VAL 260 HG13 -0.07 -0.03 -0.26 -0.04 0.97 0.57 1v8bB1 VAL 260 HG23 -0.08 0.04 -0.22 -0.04 0.95 0.64 1v8bB1 VAL 261 H -0.20 0.76 0.32 -0.55 8.24 8.57 1v8bB1 VAL 261 HA -0.00 0.26 0.99 -0.75 4.13 4.62 1v8bB1 VAL 261 HB -0.25 -0.06 0.22 -0.04 2.12 1.99 1v8bB1 VAL 261 HG13 0.08 -0.03 -0.24 -0.04 0.97 0.74 1v8bB1 VAL 261 HG23 -0.37 0.02 -0.15 -0.04 0.95 0.41 1v8bB1 ILE 262 H -0.01 0.86 0.36 -0.55 8.25 8.91 1v8bB1 ILE 262 HA 0.02 0.21 1.03 -0.75 4.18 4.68 1v8bB1 ILE 262 HB -0.02 0.01 0.09 -0.04 1.89 1.94 1v8bB1 ILE 262 HG12 -0.09 0.07 -0.22 -0.04 1.49 1.21 1v8bB1 ILE 262 HG13 -0.09 0.00 -0.14 -0.04 1.21 0.94 1v8bB1 ILE 262 HG23 0.03 0.00 -0.14 -0.04 0.93 0.78 1v8bB1 ILE 262 HD13 -0.03 0.01 -0.24 -0.04 0.88 0.57 1v8bB1 CYS 263 H 0.05 0.61 0.37 -0.55 8.50 8.98 1v8bB1 CYS 263 HA 0.05 0.09 0.90 -0.75 4.58 4.86 1v8bB1 CYS 263 HB2 0.05 -0.24 0.26 -0.04 2.97 3.01 1v8bB1 CYS 263 HB3 0.04 -0.02 0.03 -0.04 2.97 2.98 1v8bB1 GLY 264 H 0.06 0.69 0.22 -0.55 8.43 8.85 1v8bB1 GLY 264 HA2 0.06 -0.06 0.43 -0.51 4.01 3.93 1v8bB1 GLY 264 HA3 0.04 0.06 0.62 -0.51 4.01 4.22 1v8bB1 TYR 265 H 0.14 0.09 0.04 -0.55 8.29 8.00 1v8bB1 TYR 265 HA 0.01 0.20 0.82 -0.75 4.56 4.84 1v8bB1 TYR 265 HB2 0.03 0.03 -0.18 -0.04 3.06 2.90 1v8bB1 TYR 265 HB3 0.02 -0.07 0.05 -0.04 2.98 2.95 1v8bB1 TYR 265 HD2 0.02 0.00 -0.05 -0.04 7.15 7.09 1v8bB1 TYR 265 HE2 0.11 0.04 -0.17 -0.04 6.85 6.79 1v8bB1 GLY 266 H -0.03 0.04 -0.19 -0.55 8.43 7.71 1v8bB1 GLY 266 HA2 -0.07 0.28 0.75 -0.51 4.01 4.46 1v8bB1 GLY 266 HA3 -0.05 -0.01 0.40 -0.51 4.01 3.84 1v8bB1 ASP 267 H -0.08 0.14 0.13 -0.55 8.40 8.05 1v8bB1 ASP 267 HA -0.15 0.19 0.33 -0.75 4.63 4.25 1v8bB1 ASP 267 HB2 -0.07 -0.14 0.16 -0.04 2.71 2.62 1v8bB1 ASP 267 HB3 -0.10 0.09 -0.05 -0.04 2.70 2.60 1v8bB1 VAL 268 H -0.07 0.01 -0.05 -0.55 8.24 7.59 1v8bB1 VAL 268 HA -0.05 0.43 0.57 -0.75 4.13 4.32 1v8bB1 VAL 268 HB -0.03 -0.02 0.10 -0.04 2.12 2.14 1v8bB1 VAL 268 HG13 0.00 0.02 -0.08 -0.04 0.97 0.86 1v8bB1 VAL 268 HG23 -0.01 -0.00 0.10 -0.04 0.95 1.00 1v8bB1 GLY 269 H -0.08 -0.05 -0.30 -0.55 8.43 7.45 1v8bB1 GLY 269 HA2 -0.02 0.04 0.32 -0.51 4.01 3.84 1v8bB1 GLY 269 HA3 -0.04 0.19 0.21 -0.51 4.01 3.87 1v8bB1 LYS 270 H -0.33 0.50 -0.35 -0.55 8.42 7.69 1v8bB1 LYS 270 HA -0.44 0.06 0.35 -0.75 4.32 3.54 1v8bB1 LYS 270 HB2 -0.27 0.09 0.07 -0.04 1.87 1.72 1v8bB1 LYS 270 HB3 -0.20 0.01 -0.06 -0.04 1.79 1.49 1v8bB1 LYS 270 HG2 -1.04 -0.01 -0.06 -0.04 1.46 0.31 1v8bB1 LYS 270 HG3 -0.82 0.13 -0.15 -0.04 1.46 0.58 1v8bB1 LYS 270 HD2 -0.20 -0.08 -0.14 -0.04 1.69 1.23 1v8bB1 LYS 270 HD3 -0.15 0.02 -0.06 -0.04 1.68 1.45 1v8bB1 LYS 270 HE2 -0.05 -0.01 -0.05 -0.04 2.99 2.85 1v8bB1 LYS 270 HE3 -0.00 0.02 -0.05 -0.04 2.99 2.92 1v8bB1 GLY 271 H -0.12 0.33 -0.23 -0.55 8.43 7.86 1v8bB1 GLY 271 HA2 -0.03 0.04 0.41 -0.51 4.01 3.91 1v8bB1 GLY 271 HA3 -0.07 0.17 0.42 -0.51 4.01 4.03 1v8bB1 CYS 272 H -0.04 0.60 -0.06 -0.55 8.50 8.45 1v8bB1 CYS 272 HA -0.02 0.06 0.30 -0.75 4.58 4.18 1v8bB1 CYS 272 HB2 -0.02 0.06 0.09 -0.04 2.97 3.05 1v8bB1 CYS 272 HB3 -0.03 -0.03 -0.09 -0.04 2.97 2.78 1v8bB1 ALA 273 H -0.00 0.64 -0.17 -0.55 8.40 8.33 1v8bB1 ALA 273 HA -0.14 -0.02 0.34 -0.75 4.34 3.76 1v8bB1 ALA 273 HB3 -0.15 0.02 0.02 -0.04 1.41 1.26 1v8bB1 SER 274 H 0.08 0.47 -0.28 -0.55 8.46 8.18 1v8bB1 SER 274 HA 0.19 0.04 0.37 -0.75 4.49 4.34 1v8bB1 SER 274 HB2 0.09 -0.04 0.06 -0.04 3.95 4.02 1v8bB1 SER 274 HB3 0.10 0.06 0.13 -0.04 3.93 4.18 1v8bB1 SER 275 H 0.02 0.40 -0.20 -0.55 8.46 8.13 1v8bB1 SER 275 HA 0.01 0.06 0.52 -0.75 4.49 4.33 1v8bB1 SER 275 HB2 -0.02 -0.02 0.15 -0.04 3.95 4.01 1v8bB1 SER 275 HB3 0.00 -0.00 0.26 -0.04 3.93 4.15 1v8bB1 MET 276 H -0.03 0.48 -0.05 -0.55 8.47 8.33 1v8bB1 MET 276 HA -0.07 -0.00 0.35 -0.75 4.52 4.05 1v8bB1 MET 276 HB2 -0.10 0.09 0.06 -0.04 2.15 2.16 1v8bB1 MET 276 HB3 -0.09 -0.04 -0.07 -0.04 2.03 1.79 1v8bB1 MET 276 HG2 -0.08 0.26 0.03 -0.04 2.63 2.79 1v8bB1 MET 276 HG3 -0.11 -0.09 -0.14 -0.04 2.56 2.18 1v8bB1 MET 276 HE3 -0.10 0.01 -0.15 -0.04 2.10 1.81 1v8bB1 LYS 277 H 0.05 0.65 -0.20 -0.55 8.42 8.37 1v8bB1 LYS 277 HA 0.09 0.08 0.44 -0.75 4.32 4.19 1v8bB1 LYS 277 HB2 0.40 -0.02 0.08 -0.04 1.87 2.29 1v8bB1 LYS 277 HB3 0.18 0.08 0.14 -0.04 1.79 2.15 1v8bB1 LYS 277 HG2 0.09 -0.01 -0.20 -0.04 1.46 1.29 1v8bB1 LYS 277 HG3 0.18 0.00 0.05 -0.04 1.46 1.65 1v8bB1 LYS 277 HD2 0.09 -0.00 -0.00 -0.04 1.69 1.74 1v8bB1 LYS 277 HD3 0.08 -0.05 -0.01 -0.04 1.68 1.66 1v8bB1 LYS 277 HE2 -0.01 -0.06 -0.01 -0.04 2.99 2.87 1v8bB1 LYS 277 HE3 -0.05 0.02 0.04 -0.04 2.99 2.97 1v8bB1 GLY 278 H 0.05 0.46 -0.15 -0.55 8.43 8.24 1v8bB1 GLY 278 HA2 0.02 0.02 0.42 -0.51 4.01 3.97 1v8bB1 GLY 278 HA3 0.02 0.02 0.34 -0.51 4.01 3.88 1v8bB1 LEU 279 H -0.00 0.33 -0.38 -0.55 8.37 7.77 1v8bB1 LEU 279 HA -0.01 0.09 0.61 -0.75 4.35 4.28 1v8bB1 LEU 279 HB2 -0.04 0.09 0.07 -0.04 1.64 1.72 1v8bB1 LEU 279 HB3 -0.03 -0.15 0.04 -0.04 1.64 1.46 1v8bB1 LEU 279 HG -0.03 0.17 0.02 -0.04 1.64 1.76 1v8bB1 LEU 279 HD13 -0.07 -0.04 -0.05 -0.04 0.93 0.73 1v8bB1 LEU 279 HD23 -0.02 -0.01 0.00 -0.04 0.89 0.82 1v8bB1 GLY 280 H 0.01 0.38 -0.26 -0.55 8.43 8.01 1v8bB1 GLY 280 HA2 0.02 0.10 0.31 -0.51 4.01 3.92 1v8bB1 GLY 280 HA3 0.01 0.09 0.85 -0.51 4.01 4.45 1v8bB1 ALA 281 H -0.00 0.41 0.09 -0.55 8.40 8.36 1v8bB1 ALA 281 HA 0.02 0.02 0.69 -0.75 4.34 4.31 1v8bB1 ALA 281 HB3 -0.04 0.00 -0.06 -0.04 1.41 1.28 1v8bB1 ARG 282 H 0.05 0.70 0.17 -0.55 8.46 8.83 1v8bB1 ARG 282 HA 0.04 0.14 0.77 -0.75 4.34 4.53 1v8bB1 ARG 282 HB2 0.13 -0.00 0.05 -0.04 1.90 2.04 1v8bB1 ARG 282 HB3 0.17 -0.03 0.00 -0.04 1.80 1.91 1v8bB1 ARG 282 HG2 0.05 0.02 -0.01 -0.04 1.67 1.69 1v8bB1 ARG 282 HG3 0.05 0.02 -0.12 -0.04 1.67 1.58 1v8bB1 ARG 282 HD2 0.12 -0.05 -0.03 -0.04 3.22 3.21 1v8bB1 ARG 282 HD3 0.06 -0.01 -0.02 -0.04 3.22 3.20 1v8bB1 VAL 283 H 0.01 0.25 0.07 -0.55 8.24 8.02 1v8bB1 VAL 283 HA -0.03 0.25 0.90 -0.75 4.13 4.50 1v8bB1 VAL 283 HB -0.48 0.02 0.05 -0.04 2.12 1.67 1v8bB1 VAL 283 HG13 -0.59 -0.03 -0.19 -0.04 0.97 0.12 1v8bB1 VAL 283 HG23 -0.17 0.05 -0.18 -0.04 0.95 0.60 1v8bB1 TYR 284 H 0.10 0.70 0.46 -0.55 8.29 9.01 1v8bB1 TYR 284 HA -0.03 0.25 0.98 -0.75 4.56 5.00 1v8bB1 TYR 284 HB2 -0.07 -0.02 0.09 -0.04 3.06 3.02 1v8bB1 TYR 284 HB3 -0.03 -0.06 -0.04 -0.04 2.98 2.81 1v8bB1 TYR 284 HD2 -0.03 0.05 -0.18 -0.04 7.15 6.95 1v8bB1 TYR 284 HE2 -0.00 0.01 -0.11 -0.04 6.85 6.70 1v8bB1 ILE 285 H 0.01 0.71 0.28 -0.55 8.25 8.70 1v8bB1 ILE 285 HA 0.00 0.33 1.09 -0.75 4.18 4.85 1v8bB1 ILE 285 HB -0.07 -0.01 -0.12 -0.04 1.89 1.65 1v8bB1 ILE 285 HG12 -0.18 -0.02 -0.45 -0.04 1.49 0.80 1v8bB1 ILE 285 HG13 -0.21 0.02 -0.20 -0.04 1.21 0.77 1v8bB1 ILE 285 HG23 -0.03 -0.02 -0.28 -0.04 0.93 0.56 1v8bB1 ILE 285 HD13 -0.14 0.02 -0.16 -0.04 0.88 0.57 1v8bB1 THR 286 H 0.04 0.46 0.39 -0.55 8.28 8.63 1v8bB1 THR 286 HA 0.03 0.47 1.08 -0.75 4.39 5.22 1v8bB1 THR 286 HB 0.03 -0.01 0.15 -0.04 4.32 4.45 1v8bB1 THR 286 HG23 0.04 0.05 -0.21 -0.04 1.22 1.06 1v8bB1 GLU 287 H 0.03 0.43 0.18 -0.55 8.60 8.68 1v8bB1 GLU 287 HA 0.05 -0.02 0.67 -0.75 4.29 4.23 1v8bB1 GLU 287 HB2 0.03 0.10 -0.24 -0.04 2.09 1.93 1v8bB1 GLU 287 HB3 0.04 0.08 -0.16 -0.04 1.99 1.91 1v8bB1 GLU 287 HG2 0.11 0.10 -0.11 -0.04 2.34 2.40 1v8bB1 GLU 287 HG3 0.09 0.06 -0.19 -0.04 2.34 2.26 1v8bB1 ILE 288 H 0.03 -0.05 0.20 -0.55 8.25 7.89 1v8bB1 ILE 288 HA 0.02 0.26 0.84 -0.75 4.18 4.55 1v8bB1 ILE 288 HB 0.02 0.08 0.07 -0.04 1.89 2.02 1v8bB1 ILE 288 HG12 0.02 -0.11 0.08 -0.04 1.49 1.44 1v8bB1 ILE 288 HG13 0.02 0.04 -0.12 -0.04 1.21 1.11 1v8bB1 ILE 288 HG23 0.02 0.00 -0.08 -0.04 0.93 0.84 1v8bB1 ILE 288 HD13 0.01 0.02 -0.03 -0.04 0.88 0.84 1v8bB1 ASP 289 H 0.03 -0.15 0.15 -0.55 8.40 7.88 1v8bB1 ASP 289 HA 0.02 0.31 0.80 -0.75 4.63 5.00 1v8bB1 ASP 289 HB2 0.02 0.07 0.10 -0.04 2.71 2.85 1v8bB1 ASP 289 HB3 0.04 -0.10 0.20 -0.04 2.70 2.79 1v8bB1 PRO 290 HA 0.01 0.10 0.40 -0.51 4.44 4.44 1v8bB1 PRO 290 HB2 0.01 0.08 -0.01 -0.04 2.28 2.32 1v8bB1 PRO 290 HB3 0.01 0.10 0.08 -0.04 2.02 2.16 1v8bB1 PRO 290 HG2 0.01 -0.03 0.11 -0.04 2.03 2.08 1v8bB1 PRO 290 HG3 0.01 0.13 0.09 -0.04 2.03 2.21 1v8bB1 PRO 290 HD2 0.01 0.06 0.31 -0.04 3.68 4.02 1v8bB1 PRO 290 HD3 0.01 0.32 0.22 -0.04 3.65 4.16 1v8bB1 ILE 291 H 0.02 0.12 -0.16 -0.55 8.25 7.67 1v8bB1 ILE 291 HA 0.01 0.17 0.43 -0.75 4.18 4.04 1v8bB1 ILE 291 HB 0.02 -0.07 0.07 -0.04 1.89 1.86 1v8bB1 ILE 291 HG12 0.01 0.08 0.01 -0.04 1.49 1.55 1v8bB1 ILE 291 HG13 0.01 -0.07 0.04 -0.04 1.21 1.15 1v8bB1 ILE 291 HG23 0.01 0.03 -0.09 -0.04 0.93 0.84 1v8bB1 ILE 291 HD13 0.00 0.02 0.01 -0.04 0.88 0.88 1v8bB1 CYS 292 H 0.05 0.04 -0.18 -0.55 8.50 7.86 1v8bB1 CYS 292 HA 0.14 0.15 0.47 -0.75 4.58 4.59 1v8bB1 CYS 292 HB2 0.09 -0.04 0.09 -0.04 2.97 3.07 1v8bB1 CYS 292 HB3 0.22 0.11 0.04 -0.04 2.97 3.30 1v8bB1 ALA 293 H 0.04 0.32 -0.29 -0.55 8.40 7.92 1v8bB1 ALA 293 HA -0.03 0.01 0.28 -0.75 4.34 3.85 1v8bB1 ALA 293 HB3 0.00 0.04 -0.02 -0.04 1.41 1.40 1v8bB1 ILE 294 H 0.01 0.41 -0.25 -0.55 8.25 7.86 1v8bB1 ILE 294 HA -0.03 0.06 0.46 -0.75 4.18 3.92 1v8bB1 ILE 294 HB 0.00 0.10 0.12 -0.04 1.89 2.07 1v8bB1 ILE 294 HG12 -0.01 -0.01 0.02 -0.04 1.49 1.45 1v8bB1 ILE 294 HG13 -0.00 0.12 0.09 -0.04 1.21 1.38 1v8bB1 ILE 294 HG23 -0.01 0.00 -0.07 -0.04 0.93 0.81 1v8bB1 ILE 294 HD13 -0.00 -0.02 -0.01 -0.04 0.88 0.81 1v8bB1 GLN 295 H 0.04 0.31 -0.23 -0.55 8.47 8.03 1v8bB1 GLN 295 HA 0.03 0.06 0.41 -0.75 4.36 4.10 1v8bB1 GLN 295 HB2 0.25 0.12 0.17 -0.04 2.15 2.65 1v8bB1 GLN 295 HB3 0.25 -0.01 0.01 -0.04 2.02 2.22 1v8bB1 GLN 295 HG2 0.06 -0.00 0.04 -0.04 2.40 2.45 1v8bB1 GLN 295 HG3 0.07 0.22 0.13 -0.04 2.39 2.77 1v8bB1 GLN 295 HE21 0.02 -0.03 -0.02 -0.04 6.97 6.90 1v8bB1 GLN 295 HE22 0.04 0.03 -0.01 -0.04 7.69 7.71 1v8bB1 ALA 296 H -0.16 0.42 -0.29 -0.55 8.40 7.82 1v8bB1 ALA 296 HA -0.52 0.03 0.31 -0.75 4.34 3.41 1v8bB1 ALA 296 HB3 -0.56 0.02 -0.03 -0.04 1.41 0.80 1v8bB1 VAL 297 H -0.10 0.35 -0.20 -0.55 8.24 7.74 1v8bB1 VAL 297 HA -0.09 0.32 0.53 -0.75 4.13 4.13 1v8bB1 VAL 297 HB -0.05 0.04 0.17 -0.04 2.12 2.24 1v8bB1 VAL 297 HG13 -0.05 -0.00 -0.04 -0.04 0.97 0.84 1v8bB1 VAL 297 HG23 -0.05 0.05 0.07 -0.04 0.95 0.98 1v8bB1 MET 298 H -0.08 0.55 -0.14 -0.55 8.47 8.25 1v8bB1 MET 298 HA -0.08 0.04 0.43 -0.75 4.52 4.15 1v8bB1 MET 298 HB2 -0.05 0.10 0.11 -0.04 2.15 2.28 1v8bB1 MET 298 HB3 -0.05 -0.05 0.13 -0.04 2.03 2.02 1v8bB1 MET 298 HG2 -0.04 0.26 0.10 -0.04 2.63 2.91 1v8bB1 MET 298 HG3 -0.02 -0.08 0.01 -0.04 2.56 2.42 1v8bB1 MET 298 HE3 -0.03 -0.01 0.02 -0.04 2.10 2.04 1v8bB1 GLU 299 H -0.26 0.23 -0.77 -0.55 8.60 7.26 1v8bB1 GLU 299 HA -0.25 0.16 0.83 -0.75 4.29 4.28 1v8bB1 GLU 299 HB2 -0.72 0.06 0.05 -0.04 2.09 1.43 1v8bB1 GLU 299 HB3 -0.78 -0.04 0.11 -0.04 1.99 1.24 1v8bB1 GLU 299 HG2 -0.05 0.18 -0.08 -0.04 2.34 2.34 1v8bB1 GLU 299 HG3 0.05 -0.10 -0.04 -0.04 2.34 2.21 1v8bB1 GLY 300 H -0.26 0.51 -0.17 -0.55 8.43 7.96 1v8bB1 GLY 300 HA2 -0.15 0.01 0.30 -0.51 4.01 3.67 1v8bB1 GLY 300 HA3 -0.22 0.11 0.65 -0.51 4.01 4.04 1v8bB1 PHE 301 H -0.34 0.25 -0.01 -0.55 8.34 7.68 1v8bB1 PHE 301 HA -0.16 0.19 0.68 -0.75 4.62 4.58 1v8bB1 PHE 301 HB2 -0.21 0.07 -0.11 -0.04 3.15 2.86 1v8bB1 PHE 301 HB3 -0.16 -0.07 -0.16 -0.04 3.06 2.64 1v8bB1 PHE 301 HD2 -0.19 0.00 -0.12 -0.04 7.28 6.92 1v8bB1 PHE 301 HE2 0.09 -0.02 -0.08 -0.04 7.38 7.33 1v8bB1 PHE 301 HZ 0.04 0.01 -0.19 -0.04 7.32 7.14 1v8bB1 ASN 302 H -0.20 0.47 0.28 -0.55 8.53 8.54 1v8bB1 ASN 302 HA -0.08 0.14 0.83 -0.75 4.76 4.90 1v8bB1 ASN 302 HB2 -0.30 0.08 0.05 -0.04 2.88 2.67 1v8bB1 ASN 302 HB3 -0.69 -0.03 0.16 -0.04 2.79 2.19 1v8bB1 ASN 302 HD21 0.10 -0.02 -0.08 -0.04 7.03 7.00 1v8bB1 ASN 302 HD22 -0.01 0.02 -0.05 -0.04 7.74 7.65 1v8bB1 VAL 303 H -0.03 0.21 0.13 -0.55 8.24 8.00 1v8bB1 VAL 303 HA 0.01 0.24 0.92 -0.75 4.13 4.55 1v8bB1 VAL 303 HB -0.01 -0.00 0.13 -0.04 2.12 2.19 1v8bB1 VAL 303 HG13 0.00 -0.03 -0.16 -0.04 0.97 0.75 1v8bB1 VAL 303 HG23 -0.05 0.03 -0.12 -0.04 0.95 0.76 1v8bB1 VAL 304 H 0.06 0.58 0.31 -0.55 8.24 8.65 1v8bB1 VAL 304 HA 0.05 0.16 0.77 -0.75 4.13 4.35 1v8bB1 VAL 304 HB 0.08 -0.08 0.08 -0.04 2.12 2.16 1v8bB1 VAL 304 HG13 0.16 0.02 -0.37 -0.04 0.97 0.74 1v8bB1 VAL 304 HG23 0.14 0.00 -0.30 -0.04 0.95 0.75 1v8bB1 THR 305 H 0.04 0.17 0.16 -0.55 8.28 8.11 1v8bB1 THR 305 HA 0.02 0.14 0.78 -0.75 4.39 4.58 1v8bB1 THR 305 HB 0.03 -0.05 0.11 -0.04 4.32 4.37 1v8bB1 THR 305 HG23 0.03 0.04 0.02 -0.04 1.22 1.27 1v8bB1 LEU 306 H -0.02 0.18 0.14 -0.55 8.37 8.12 1v8bB1 LEU 306 HA -0.01 0.11 0.28 -0.75 4.35 3.97 1v8bB1 LEU 306 HB2 -0.15 0.01 0.14 -0.04 1.64 1.60 1v8bB1 LEU 306 HB3 -0.40 0.01 0.08 -0.04 1.64 1.29 1v8bB1 LEU 306 HG -0.33 0.03 -0.10 -0.04 1.64 1.20 1v8bB1 LEU 306 HD13 0.09 0.00 -0.07 -0.04 0.93 0.91 1v8bB1 LEU 306 HD23 -0.57 -0.00 -0.01 -0.04 0.89 0.27 1v8bB1 ASP 307 H 0.01 0.07 -0.16 -0.55 8.40 7.78 1v8bB1 ASP 307 HA 0.08 0.09 0.32 -0.75 4.63 4.37 1v8bB1 ASP 307 HB2 0.05 0.00 -0.04 -0.04 2.71 2.69 1v8bB1 ASP 307 HB3 0.06 0.10 0.02 -0.04 2.70 2.84 1v8bB1 GLU 308 H 0.02 0.26 -0.47 -0.55 8.60 7.86 1v8bB1 GLU 308 HA 0.02 0.13 0.49 -0.75 4.29 4.18 1v8bB1 GLU 308 HB2 0.03 0.09 0.09 -0.04 2.09 2.26 1v8bB1 GLU 308 HB3 0.03 0.05 0.04 -0.04 1.99 2.08 1v8bB1 GLU 308 HG2 0.03 0.07 0.01 -0.04 2.34 2.41 1v8bB1 GLU 308 HG3 0.03 -0.13 0.01 -0.04 2.34 2.21 1v8bB1 ILE 309 H 0.01 0.31 -0.11 -0.55 8.25 7.91 1v8bB1 ILE 309 HA -0.08 0.25 0.98 -0.75 4.18 4.58 1v8bB1 ILE 309 HB -0.14 0.00 -0.17 -0.04 1.89 1.54 1v8bB1 ILE 309 HG12 -0.70 0.01 -0.12 -0.04 1.49 0.64 1v8bB1 ILE 309 HG13 -0.29 -0.10 0.01 -0.04 1.21 0.79 1v8bB1 ILE 309 HG23 0.00 -0.00 -0.19 -0.04 0.93 0.70 1v8bB1 ILE 309 HD13 -0.59 0.03 -0.03 -0.04 0.88 0.25 1v8bB1 VAL 310 H 0.04 0.54 0.07 -0.55 8.24 8.34 1v8bB1 VAL 310 HA 0.32 -0.02 0.23 -0.75 4.13 3.91 1v8bB1 VAL 310 HB -0.02 -0.05 -0.04 -0.04 2.12 1.97 1v8bB1 VAL 310 HG13 0.05 0.05 -0.16 -0.04 0.97 0.86 1v8bB1 VAL 310 HG23 -0.18 -0.02 -0.07 -0.04 0.95 0.64 1v8bB1 ASP 311 H 0.03 0.04 -0.67 -0.55 8.40 7.25 1v8bB1 ASP 311 HA 0.04 0.33 0.65 -0.75 4.63 4.89 1v8bB1 ASP 311 HB2 0.01 -0.03 -0.03 -0.04 2.71 2.63 1v8bB1 ASP 311 HB3 0.01 0.02 -0.01 -0.04 2.70 2.68 1v8bB1 LYS 312 H -0.00 0.29 -0.02 -0.55 8.42 8.13 1v8bB1 LYS 312 HA -0.01 0.25 0.96 -0.75 4.32 4.77 1v8bB1 LYS 312 HB2 -0.10 -0.01 0.00 -0.04 1.87 1.72 1v8bB1 LYS 312 HB3 -0.04 0.00 0.13 -0.04 1.79 1.84 1v8bB1 LYS 312 HG2 -0.02 0.02 -0.29 -0.04 1.46 1.13 1v8bB1 LYS 312 HG3 -0.04 -0.01 -0.01 -0.04 1.46 1.36 1v8bB1 LYS 312 HD2 -0.02 0.02 -0.01 -0.04 1.69 1.65 1v8bB1 LYS 312 HD3 -0.01 -0.01 -0.02 -0.04 1.68 1.59 1v8bB1 LYS 312 HE2 -0.04 0.01 0.00 -0.04 2.99 2.92 1v8bB1 LYS 312 HE3 -0.01 -0.01 -0.00 -0.04 2.99 2.94 1v8bB1 GLY 313 H 0.08 0.18 -0.14 -0.55 8.43 8.01 1v8bB1 GLY 313 HA2 -0.26 -0.01 0.38 -0.51 4.01 3.60 1v8bB1 GLY 313 HA3 -0.46 -0.04 0.18 -0.51 4.01 3.18 1v8bB1 ASP 314 H -0.17 0.45 0.39 -0.55 8.40 8.51 1v8bB1 ASP 314 HA -0.15 0.17 0.77 -0.75 4.63 4.67 1v8bB1 ASP 314 HB2 0.07 0.03 0.16 -0.04 2.71 2.94 1v8bB1 ASP 314 HB3 -0.28 0.02 0.07 -0.04 2.70 2.46 1v8bB1 PHE 315 H -0.11 0.40 0.35 -0.55 8.34 8.43 1v8bB1 PHE 315 HA 0.02 0.30 0.98 -0.75 4.62 5.16 1v8bB1 PHE 315 HB2 -0.09 -0.09 0.08 -0.04 3.15 3.01 1v8bB1 PHE 315 HB3 -0.02 -0.06 -0.06 -0.04 3.06 2.87 1v8bB1 PHE 315 HD2 0.00 -0.05 -0.15 -0.04 7.28 7.04 1v8bB1 PHE 315 HE2 0.06 0.03 -0.08 -0.04 7.38 7.35 1v8bB1 PHE 315 HZ 0.22 0.09 -0.20 -0.04 7.32 7.39 1v8bB1 PHE 316 H 0.26 0.59 0.28 -0.55 8.34 8.92 1v8bB1 PHE 316 HA 0.05 0.22 0.99 -0.75 4.62 5.13 1v8bB1 PHE 316 HB2 0.02 -0.02 0.19 -0.04 3.15 3.31 1v8bB1 PHE 316 HB3 0.01 -0.11 -0.02 -0.04 3.06 2.90 1v8bB1 PHE 316 HD2 -0.02 0.04 -0.19 -0.04 7.28 7.07 1v8bB1 PHE 316 HE2 -0.05 0.08 -0.21 -0.04 7.38 7.16 1v8bB1 PHE 316 HZ -0.05 0.09 -0.06 -0.04 7.32 7.26 1v8bB1 ILE 317 H 0.09 0.78 0.31 -0.55 8.25 8.89 1v8bB1 ILE 317 HA 0.09 0.40 1.10 -0.75 4.18 5.02 1v8bB1 ILE 317 HB 0.03 0.03 0.05 -0.04 1.89 1.97 1v8bB1 ILE 317 HG12 0.02 -0.01 -0.17 -0.04 1.49 1.30 1v8bB1 ILE 317 HG13 0.08 0.05 -0.20 -0.04 1.21 1.10 1v8bB1 ILE 317 HG23 0.03 -0.04 -0.25 -0.04 0.93 0.63 1v8bB1 ILE 317 HD13 0.08 -0.03 -0.40 -0.04 0.88 0.49 1v8bB1 THR 318 H 0.06 0.36 0.37 -0.55 8.28 8.53 1v8bB1 THR 318 HA 0.05 0.19 1.01 -0.75 4.39 4.89 1v8bB1 THR 318 HB 0.05 -0.16 0.09 -0.04 4.32 4.27 1v8bB1 THR 318 HG23 0.05 0.05 -0.13 -0.04 1.22 1.16 1v8bB1 CYS 319 H 0.04 0.77 0.31 -0.55 8.50 9.07 1v8bB1 CYS 319 HA 0.02 0.03 0.69 -0.75 4.58 4.57 1v8bB1 CYS 319 HB2 0.01 0.01 0.10 -0.04 2.97 3.05 1v8bB1 CYS 319 HB3 0.00 -0.07 0.01 -0.04 2.97 2.87 1v8bB1 THR 320 H 0.04 0.02 0.08 -0.55 8.28 7.87 1v8bB1 THR 320 HA 0.01 0.20 0.77 -0.75 4.39 4.62 1v8bB1 THR 320 HB 0.02 0.09 0.01 -0.04 4.32 4.41 1v8bB1 THR 320 HG23 0.04 0.01 -0.16 -0.04 1.22 1.07 1v8bB1 GLY 321 H 0.06 -0.04 0.06 -0.55 8.43 7.97 1v8bB1 GLY 321 HA2 -0.09 -0.11 0.32 -0.51 4.01 3.62 1v8bB1 GLY 321 HA3 -0.13 0.14 0.51 -0.51 4.01 4.02 1v8bB1 ASN 322 H 0.05 -0.13 -0.14 -0.55 8.53 7.76 1v8bB1 ASN 322 HA -0.02 0.27 0.72 -0.75 4.76 4.97 1v8bB1 ASN 322 HB2 0.01 -0.01 -0.18 -0.04 2.88 2.67 1v8bB1 ASN 322 HB3 0.05 0.00 -0.12 -0.04 2.79 2.68 1v8bB1 ASN 322 HD21 0.02 0.07 -0.01 -0.04 7.03 7.07 1v8bB1 ASN 322 HD22 0.02 -0.07 -0.04 -0.04 7.74 7.61 1v8bB1 VAL 323 H 0.07 0.27 0.08 -0.55 8.24 8.11 1v8bB1 VAL 323 HA 0.14 0.10 0.75 -0.75 4.13 4.37 1v8bB1 VAL 323 HB 0.06 0.06 -0.01 -0.04 2.12 2.19 1v8bB1 VAL 323 HG13 0.15 -0.02 -0.18 -0.04 0.97 0.89 1v8bB1 VAL 323 HG23 0.05 0.02 -0.04 -0.04 0.95 0.94 1v8bB1 ASP 324 H 0.05 0.55 0.10 -0.55 8.40 8.55 1v8bB1 ASP 324 HA 0.03 0.03 0.21 -0.75 4.63 4.15 1v8bB1 ASP 324 HB2 0.03 0.16 -0.19 -0.04 2.71 2.67 1v8bB1 ASP 324 HB3 0.03 -0.03 0.13 -0.04 2.70 2.79 1v8bB1 VAL 325 H 0.05 0.25 -0.03 -0.55 8.24 7.96 1v8bB1 VAL 325 HA 0.05 0.14 0.49 -0.75 4.13 4.05 1v8bB1 VAL 325 HB 0.04 0.01 0.07 -0.04 2.12 2.20 1v8bB1 VAL 325 HG13 0.03 -0.01 -0.10 -0.04 0.97 0.84 1v8bB1 VAL 325 HG23 0.05 -0.04 -0.16 -0.04 0.95 0.76 1v8bB1 ILE 326 H 0.04 0.44 0.09 -0.55 8.25 8.26 1v8bB1 ILE 326 HA 0.07 0.18 0.84 -0.75 4.18 4.51 1v8bB1 ILE 326 HB 0.00 -0.11 0.13 -0.04 1.89 1.88 1v8bB1 ILE 326 HG12 -0.08 0.09 -0.12 -0.04 1.49 1.34 1v8bB1 ILE 326 HG13 0.01 -0.14 -0.27 -0.04 1.21 0.77 1v8bB1 ILE 326 HG23 -0.07 0.03 -0.14 -0.04 0.93 0.70 1v8bB1 ILE 326 HD13 0.02 0.02 -0.16 -0.04 0.88 0.72 1v8bB1 LYS 327 H 0.43 0.23 -0.04 -0.55 8.42 8.48 1v8bB1 LYS 327 HA 0.01 0.09 0.52 -0.75 4.32 4.18 1v8bB1 LYS 327 HB2 -0.21 -0.05 0.02 -0.04 1.87 1.60 1v8bB1 LYS 327 HB3 -0.07 -0.03 0.14 -0.04 1.79 1.79 1v8bB1 LYS 327 HG2 0.02 0.02 -0.05 -0.04 1.46 1.41 1v8bB1 LYS 327 HG3 0.10 0.09 -0.08 -0.04 1.46 1.53 1v8bB1 LYS 327 HD2 -0.10 -0.03 0.01 -0.04 1.69 1.53 1v8bB1 LYS 327 HD3 -0.03 0.00 0.02 -0.04 1.68 1.63 1v8bB1 LYS 327 HE2 0.07 0.00 0.03 -0.04 2.99 3.06 1v8bB1 LYS 327 HE3 0.01 0.01 0.02 -0.04 2.99 2.99 1v8bB1 LEU 328 H -0.06 0.19 0.16 -0.55 8.37 8.11 1v8bB1 LEU 328 HA -0.09 0.11 0.37 -0.75 4.35 3.99 1v8bB1 LEU 328 HB2 -0.07 -0.04 0.12 -0.04 1.64 1.61 1v8bB1 LEU 328 HB3 -0.12 0.01 0.08 -0.04 1.64 1.57 1v8bB1 LEU 328 HG -0.15 0.07 -0.13 -0.04 1.64 1.39 1v8bB1 LEU 328 HD13 -0.51 0.02 -0.21 -0.04 0.93 0.19 1v8bB1 LEU 328 HD23 -0.19 0.00 -0.06 -0.04 0.89 0.61 1v8bB1 GLU 329 H -0.18 0.05 -0.19 -0.55 8.60 7.74 1v8bB1 GLU 329 HA -0.15 0.15 0.29 -0.75 4.29 3.83 1v8bB1 GLU 329 HB2 -0.17 0.10 0.00 -0.04 2.09 1.98 1v8bB1 GLU 329 HB3 -0.15 0.03 0.05 -0.04 1.99 1.88 1v8bB1 GLU 329 HG2 -0.34 -0.19 -0.03 -0.04 2.34 1.74 1v8bB1 GLU 329 HG3 -0.68 0.04 -0.19 -0.04 2.34 1.47 1v8bB1 HIS 330 H -0.20 0.12 -0.54 -0.55 8.41 7.25 1v8bB1 HIS 330 HA -0.09 0.13 0.44 -0.75 4.63 4.35 1v8bB1 HIS 330 HB2 -0.12 0.10 0.02 -0.04 3.26 3.23 1v8bB1 HIS 330 HB3 -0.16 0.04 -0.07 -0.04 3.20 2.96 1v8bB1 HIS 330 HD2 -0.04 0.11 -0.12 -0.04 6.97 6.88 1v8bB1 HIS 330 HE1 -0.01 0.08 0.04 -0.04 7.75 7.82 1v8bB1 LEU 331 H -0.04 0.31 -0.09 -0.55 8.37 8.00 1v8bB1 LEU 331 HA -0.14 0.05 0.29 -0.75 4.35 3.79 1v8bB1 LEU 331 HB2 -0.08 0.06 0.07 -0.04 1.64 1.65 1v8bB1 LEU 331 HB3 -0.05 0.04 -0.07 -0.04 1.64 1.52 1v8bB1 LEU 331 HG -0.06 0.00 -0.13 -0.04 1.64 1.42 1v8bB1 LEU 331 HD13 -0.03 -0.05 -0.21 -0.04 0.93 0.60 1v8bB1 LEU 331 HD23 -0.08 -0.00 -0.12 -0.04 0.89 0.65 1v8bB1 LEU 332 H -0.11 0.39 -0.32 -0.55 8.37 7.78 1v8bB1 LEU 332 HA -0.07 0.05 0.38 -0.75 4.35 3.96 1v8bB1 LEU 332 HB2 -0.13 0.03 0.03 -0.04 1.64 1.53 1v8bB1 LEU 332 HB3 -0.07 0.01 -0.00 -0.04 1.64 1.53 1v8bB1 LEU 332 HG -0.14 0.00 0.03 -0.04 1.64 1.49 1v8bB1 LEU 332 HD13 -0.28 0.05 -0.07 -0.04 0.93 0.59 1v8bB1 LEU 332 HD23 -0.38 -0.02 -0.08 -0.04 0.89 0.37 1v8bB1 LYS 333 H -0.05 0.35 -0.55 -0.55 8.42 7.61 1v8bB1 LYS 333 HA -0.02 0.16 0.81 -0.75 4.32 4.52 1v8bB1 LYS 333 HB2 -0.01 0.04 0.03 -0.04 1.87 1.89 1v8bB1 LYS 333 HB3 -0.00 -0.06 0.05 -0.04 1.79 1.74 1v8bB1 LYS 333 HG2 -0.01 0.00 -0.07 -0.04 1.46 1.33 1v8bB1 LYS 333 HG3 -0.03 0.07 -0.10 -0.04 1.46 1.36 1v8bB1 LYS 333 HD2 0.01 -0.02 -0.03 -0.04 1.69 1.61 1v8bB1 LYS 333 HD3 -0.01 -0.06 -0.03 -0.04 1.68 1.54 1v8bB1 LYS 333 HE2 -0.03 0.23 -0.08 -0.04 2.99 3.06 1v8bB1 LYS 333 HE3 0.05 -0.02 -0.03 -0.04 2.99 2.96 1v8bB1 MET 334 H -0.06 0.24 -0.23 -0.55 8.47 7.88 1v8bB1 MET 334 HA 0.00 0.24 0.47 -0.75 4.52 4.48 1v8bB1 MET 334 HB2 -0.05 0.04 0.04 -0.04 2.15 2.13 1v8bB1 MET 334 HB3 0.01 0.01 0.02 -0.04 2.03 2.02 1v8bB1 MET 334 HG2 -0.38 0.05 -0.03 -0.04 2.63 2.24 1v8bB1 MET 334 HG3 -0.20 0.07 0.04 -0.04 2.56 2.42 1v8bB1 MET 334 HE3 -1.12 -0.06 -0.18 -0.04 2.10 0.70 1v8bB1 LYS 335 H 0.06 0.14 0.11 -0.55 8.42 8.18 1v8bB1 LYS 335 HA 0.01 0.06 0.43 -0.75 4.32 4.07 1v8bB1 LYS 335 HB2 -0.00 -0.10 0.15 -0.04 1.87 1.88 1v8bB1 LYS 335 HB3 0.02 0.21 0.13 -0.04 1.79 2.11 1v8bB1 LYS 335 HG2 0.05 -0.07 -0.09 -0.04 1.46 1.31 1v8bB1 LYS 335 HG3 -0.01 0.16 -0.33 -0.04 1.46 1.24 1v8bB1 LYS 335 HD2 0.01 -0.05 -0.29 -0.04 1.69 1.31 1v8bB1 LYS 335 HD3 -0.02 0.05 -0.35 -0.04 1.68 1.31 1v8bB1 LYS 335 HE2 -0.04 0.03 -0.05 -0.04 2.99 2.89 1v8bB1 LYS 335 HE3 -0.02 -0.05 0.01 -0.04 2.99 2.88 1v8bB1 ASN 336 H -0.00 0.10 0.15 -0.55 8.53 8.24 1v8bB1 ASN 336 HA 0.00 0.05 0.53 -0.75 4.76 4.59 1v8bB1 ASN 336 HB2 -0.00 -0.01 0.15 -0.04 2.88 2.98 1v8bB1 ASN 336 HB3 -0.01 0.02 0.16 -0.04 2.79 2.91 1v8bB1 ASN 336 HD21 -0.00 -0.00 0.01 -0.04 7.03 6.99 1v8bB1 ASN 336 HD22 -0.02 0.01 -0.15 -0.04 7.74 7.54 1v8bB1 ASN 337 H 0.01 0.87 0.43 -0.55 8.53 9.30 1v8bB1 ASN 337 HA 0.06 0.02 0.40 -0.75 4.76 4.48 1v8bB1 ASN 337 HB2 -0.04 -0.09 -0.40 -0.04 2.88 2.30 1v8bB1 ASN 337 HB3 -0.10 0.08 0.22 -0.04 2.79 2.95 1v8bB1 ASN 337 HD21 -0.56 -0.02 0.03 -0.04 7.03 6.44 1v8bB1 ASN 337 HD22 -0.43 0.02 0.05 -0.04 7.74 7.33 1v8bB1 ALA 338 H 0.02 0.25 -0.31 -0.55 8.40 7.81 1v8bB1 ALA 338 HA -0.06 0.18 0.55 -0.75 4.34 4.26 1v8bB1 ALA 338 HB3 0.13 -0.02 -0.04 -0.04 1.41 1.44 1v8bB1 VAL 339 H -0.15 0.79 0.40 -0.55 8.24 8.73 1v8bB1 VAL 339 HA 0.03 0.20 1.05 -0.75 4.13 4.66 1v8bB1 VAL 339 HB -0.10 -0.07 0.20 -0.04 2.12 2.11 1v8bB1 VAL 339 HG13 0.09 -0.04 -0.13 -0.04 0.97 0.84 1v8bB1 VAL 339 HG23 -0.07 0.05 -0.00 -0.04 0.95 0.89 1v8bB1 VAL 340 H 0.07 0.67 0.39 -0.55 8.24 8.82 1v8bB1 VAL 340 HA 0.19 0.20 1.12 -0.75 4.13 4.89 1v8bB1 VAL 340 HB 0.05 -0.03 0.14 -0.04 2.12 2.24 1v8bB1 VAL 340 HG13 0.03 -0.05 -0.12 -0.04 0.97 0.80 1v8bB1 VAL 340 HG23 0.03 0.04 -0.26 -0.04 0.95 0.71 1v8bB1 GLY 341 H 0.12 0.77 0.42 -0.55 8.43 9.19 1v8bB1 GLY 341 HA2 0.04 0.08 0.85 -0.51 4.01 4.48 1v8bB1 GLY 341 HA3 0.06 0.06 0.30 -0.51 4.01 3.92 1v8bB1 ASN 342 H 0.03 0.34 0.15 -0.55 8.53 8.50 1v8bB1 ASN 342 HA 0.04 0.01 1.03 -0.75 4.76 5.08 1v8bB1 ASN 342 HB2 0.01 -0.03 -0.02 -0.04 2.88 2.80 1v8bB1 ASN 342 HB3 0.01 0.21 -0.16 -0.04 2.79 2.81 1v8bB1 ASN 342 HD21 -0.03 -0.09 -0.27 -0.04 7.03 6.60 1v8bB1 ASN 342 HD22 -0.02 0.64 0.01 -0.04 7.74 8.33 1v8bB1 ILE 343 H 0.03 0.57 0.35 -0.55 8.25 8.65 1v8bB1 ILE 343 HA 0.01 0.03 0.92 -0.75 4.18 4.38 1v8bB1 ILE 343 HB 0.02 0.04 -0.13 -0.04 1.89 1.79 1v8bB1 ILE 343 HG12 0.02 0.01 0.18 -0.04 1.49 1.65 1v8bB1 ILE 343 HG13 0.01 -0.19 0.17 -0.04 1.21 1.15 1v8bB1 ILE 343 HG23 0.02 0.06 -0.09 -0.04 0.93 0.88 1v8bB1 ILE 343 HD13 0.04 0.03 -0.02 -0.04 0.88 0.89 1v8bB1 GLY 344 H 0.03 0.01 0.07 -0.55 8.43 7.99 1v8bB1 GLY 344 HA2 0.01 0.18 0.62 -0.51 4.01 4.31 1v8bB1 GLY 344 HA3 0.06 -0.19 0.38 -0.51 4.01 3.75 1v8bB1 HIS 345 H 0.23 0.09 0.17 -0.55 8.41 8.35 1v8bB1 HIS 345 HA -0.30 0.25 1.11 -0.75 4.63 4.94 1v8bB1 HIS 345 HB2 -0.66 0.02 0.08 -0.04 3.26 2.66 1v8bB1 HIS 345 HB3 -0.19 -0.03 -0.04 -0.04 3.20 2.89 1v8bB1 HIS 345 HD2 0.00 -0.22 0.12 -0.04 6.97 6.82 1v8bB1 HIS 345 HE1 0.17 0.07 -0.16 -0.04 7.75 7.79 1v8bB1 PHE 346 H -0.64 0.13 0.17 -0.55 8.34 7.45 1v8bB1 PHE 346 HA -0.13 0.05 0.38 -0.75 4.62 4.18 1v8bB1 PHE 346 HB2 -0.38 -0.02 0.01 -0.04 3.15 2.72 1v8bB1 PHE 346 HB3 -0.17 0.03 0.20 -0.04 3.06 3.08 1v8bB1 PHE 346 HD2 -0.09 0.02 -0.01 -0.04 7.28 7.16 1v8bB1 PHE 346 HE2 0.06 0.06 0.01 -0.04 7.38 7.48 1v8bB1 PHE 346 HZ 0.03 0.10 0.01 -0.04 7.32 7.42 1v8bB1 ASP 347 H 0.02 0.08 0.19 -0.55 8.40 8.15 1v8bB1 ASP 347 HA -0.04 0.52 0.96 -0.75 4.63 5.31 1v8bB1 ASP 347 HB2 -0.06 0.06 0.27 -0.04 2.71 2.93 1v8bB1 ASP 347 HB3 -0.03 0.06 -0.17 -0.04 2.70 2.52 1v8bB1 ASP 348 H -0.19 0.20 0.12 -0.55 8.40 7.98 1v8bB1 ASP 348 HA -0.04 0.21 0.70 -0.75 4.63 4.74 1v8bB1 ASP 348 HB2 -0.23 0.03 0.07 -0.04 2.71 2.55 1v8bB1 ASP 348 HB3 0.04 -0.03 0.02 -0.04 2.70 2.70 1v8bB1 GLU 349 H -0.06 0.17 0.06 -0.55 8.60 8.22 1v8bB1 GLU 349 HA 0.07 0.01 0.37 -0.75 4.29 3.99 1v8bB1 GLU 349 HB2 0.03 0.08 0.11 -0.04 2.09 2.27 1v8bB1 GLU 349 HB3 0.06 -0.06 0.04 -0.04 1.99 1.99 1v8bB1 GLU 349 HG2 0.22 0.50 0.17 -0.04 2.34 3.19 1v8bB1 GLU 349 HG3 0.13 0.11 0.18 -0.04 2.34 2.72 1v8bB1 ILE 350 H -0.01 0.19 -0.26 -0.55 8.25 7.62 1v8bB1 ILE 350 HA 0.00 0.20 0.92 -0.75 4.18 4.56 1v8bB1 ILE 350 HB -0.02 -0.00 0.03 -0.04 1.89 1.85 1v8bB1 ILE 350 HG12 0.01 0.06 -0.16 -0.04 1.49 1.37 1v8bB1 ILE 350 HG13 0.02 -0.22 -0.25 -0.04 1.21 0.72 1v8bB1 ILE 350 HG23 -0.02 0.03 -0.20 -0.04 0.93 0.70 1v8bB1 ILE 350 HD13 0.03 0.05 -0.24 -0.04 0.88 0.68 1v8bB1 GLN 351 H -0.01 0.59 0.12 -0.55 8.47 8.62 1v8bB1 GLN 351 HA -0.03 0.13 0.56 -0.75 4.36 4.26 1v8bB1 GLN 351 HB2 -0.02 0.02 0.18 -0.04 2.15 2.29 1v8bB1 GLN 351 HB3 -0.02 -0.06 0.20 -0.04 2.02 2.10 1v8bB1 GLN 351 HG2 -0.00 0.06 -0.01 -0.04 2.40 2.40 1v8bB1 GLN 351 HG3 0.00 0.12 -0.00 -0.04 2.39 2.47 1v8bB1 GLN 351 HE21 -0.00 0.07 0.03 -0.04 6.97 7.03 1v8bB1 GLN 351 HE22 0.00 0.03 0.02 -0.04 7.69 7.69 1v8bB1 VAL 352 H -0.09 0.66 -0.14 -0.55 8.24 8.12 1v8bB1 VAL 352 HA -0.12 0.10 0.28 -0.75 4.13 3.64 1v8bB1 VAL 352 HB -0.26 0.05 0.03 -0.04 2.12 1.91 1v8bB1 VAL 352 HG13 -0.89 -0.00 -0.20 -0.04 0.97 -0.16 1v8bB1 VAL 352 HG23 -0.11 0.01 -0.23 -0.04 0.95 0.58 1v8bB1 ASN 353 H -0.12 0.14 -0.07 -0.55 8.53 7.93 1v8bB1 ASN 353 HA -0.08 0.12 0.38 -0.75 4.76 4.42 1v8bB1 ASN 353 HB2 -0.03 -0.05 0.09 -0.04 2.88 2.84 1v8bB1 ASN 353 HB3 -0.01 0.08 -0.03 -0.04 2.79 2.80 1v8bB1 ASN 353 HD21 -0.06 -0.04 0.06 -0.04 7.03 6.95 1v8bB1 ASN 353 HD22 -0.05 0.02 0.08 -0.04 7.74 7.75 1v8bB1 GLU 354 H -0.01 0.02 -0.24 -0.55 8.60 7.82 1v8bB1 GLU 354 HA 0.06 0.11 0.32 -0.75 4.29 4.03 1v8bB1 GLU 354 HB2 -0.00 0.04 0.12 -0.04 2.09 2.20 1v8bB1 GLU 354 HB3 0.01 0.04 -0.02 -0.04 1.99 1.98 1v8bB1 GLU 354 HG2 0.01 -0.01 0.05 -0.04 2.34 2.34 1v8bB1 GLU 354 HG3 0.03 0.08 0.03 -0.04 2.34 2.44 1v8bB1 LEU 355 H 0.04 0.32 -0.32 -0.55 8.37 7.86 1v8bB1 LEU 355 HA 0.06 0.06 0.39 -0.75 4.35 4.10 1v8bB1 LEU 355 HB2 0.03 -0.07 0.02 -0.04 1.64 1.58 1v8bB1 LEU 355 HB3 0.17 0.06 0.09 -0.04 1.64 1.92 1v8bB1 LEU 355 HG 0.19 0.05 -0.35 -0.04 1.64 1.49 1v8bB1 LEU 355 HD13 -0.01 0.00 -0.08 -0.04 0.93 0.80 1v8bB1 LEU 355 HD23 0.13 -0.02 -0.14 -0.04 0.89 0.82 1v8bB1 PHE 356 H 0.34 0.55 -0.06 -0.55 8.34 8.61 1v8bB1 PHE 356 HA 0.04 0.06 0.39 -0.75 4.62 4.36 1v8bB1 PHE 356 HB2 0.03 0.01 0.12 -0.04 3.15 3.26 1v8bB1 PHE 356 HB3 0.03 -0.02 -0.01 -0.04 3.06 3.01 1v8bB1 PHE 356 HD2 0.02 -0.03 -0.09 -0.04 7.28 7.14 1v8bB1 PHE 356 HE2 0.01 -0.02 -0.09 -0.04 7.38 7.23 1v8bB1 PHE 356 HZ -0.00 -0.05 -0.10 -0.04 7.32 7.13 1v8bB1 ASN 357 H 0.19 0.32 -0.45 -0.55 8.53 8.04 1v8bB1 ASN 357 HA 0.10 0.17 0.78 -0.75 4.76 5.06 1v8bB1 ASN 357 HB2 0.10 0.03 0.05 -0.04 2.88 3.02 1v8bB1 ASN 357 HB3 0.07 -0.05 0.16 -0.04 2.79 2.93 1v8bB1 ASN 357 HD21 0.08 -0.12 -0.04 -0.04 7.03 6.90 1v8bB1 ASN 357 HD22 0.07 0.03 -0.08 -0.04 7.74 7.72 1v8bB1 TYR 358 H 0.23 0.33 -0.43 -0.55 8.29 7.86 1v8bB1 TYR 358 HA 0.03 0.01 0.64 -0.75 4.56 4.48 1v8bB1 TYR 358 HB2 0.04 0.04 0.14 -0.04 3.06 3.24 1v8bB1 TYR 358 HB3 0.03 0.09 0.03 -0.04 2.98 3.09 1v8bB1 TYR 358 HD2 0.01 0.02 -0.07 -0.04 7.15 7.07 1v8bB1 TYR 358 HE2 0.00 -0.02 0.01 -0.04 6.85 6.80 1v8bB1 LYS 359 H -0.71 0.07 0.16 -0.55 8.42 7.39 1v8bB1 LYS 359 HA -0.13 0.04 0.47 -0.75 4.32 3.95 1v8bB1 LYS 359 HB2 -0.19 0.02 0.04 -0.04 1.87 1.71 1v8bB1 LYS 359 HB3 -0.22 0.01 0.13 -0.04 1.79 1.67 1v8bB1 LYS 359 HG2 -0.90 -0.06 0.16 -0.04 1.46 0.61 1v8bB1 LYS 359 HG3 -0.52 0.04 0.06 -0.04 1.46 1.00 1v8bB1 LYS 359 HD2 -0.20 -0.00 0.02 -0.04 1.69 1.47 1v8bB1 LYS 359 HD3 -0.16 0.02 0.01 -0.04 1.68 1.51 1v8bB1 LYS 359 HE2 -0.10 0.00 0.02 -0.04 2.99 2.88 1v8bB1 LYS 359 HE3 -0.16 0.01 0.05 -0.04 2.99 2.86 1v8bB1 GLY 360 H -0.05 0.13 0.20 -0.55 8.43 8.16 1v8bB1 GLY 360 HA2 -0.02 -0.01 0.30 -0.51 4.01 3.78 1v8bB1 GLY 360 HA3 -0.02 0.10 0.57 -0.51 4.01 4.15 1v8bB1 ILE 361 H 0.04 0.24 -0.07 -0.55 8.25 7.92 1v8bB1 ILE 361 HA 0.08 0.33 0.82 -0.75 4.18 4.65 1v8bB1 ILE 361 HB 0.09 0.12 0.07 -0.04 1.89 2.12 1v8bB1 ILE 361 HG12 0.32 -0.04 -0.42 -0.04 1.49 1.31 1v8bB1 ILE 361 HG13 0.23 0.10 -0.02 -0.04 1.21 1.48 1v8bB1 ILE 361 HG23 -0.00 -0.02 -0.27 -0.04 0.93 0.60 1v8bB1 ILE 361 HD13 0.13 0.01 -0.11 -0.04 0.88 0.86 1v8bB1 HIS 362 H 0.09 0.44 0.25 -0.55 8.41 8.64 1v8bB1 HIS 362 HA -0.05 0.14 0.94 -0.75 4.63 4.91 1v8bB1 HIS 362 HB2 -0.02 0.04 -0.02 -0.04 3.26 3.22 1v8bB1 HIS 362 HB3 -0.03 -0.02 0.19 -0.04 3.20 3.30 1v8bB1 HIS 362 HD2 -0.04 -0.04 0.06 -0.04 6.97 6.90 1v8bB1 HIS 362 HE1 -0.02 -0.01 -0.06 -0.04 7.75 7.61 1v8bB1 ILE 363 H -0.04 0.21 0.16 -0.55 8.25 8.02 1v8bB1 ILE 363 HA -0.33 0.20 0.93 -0.75 4.18 4.23 1v8bB1 ILE 363 HB -0.22 0.00 0.13 -0.04 1.89 1.76 1v8bB1 ILE 363 HG12 -0.79 -0.02 -0.14 -0.04 1.49 0.49 1v8bB1 ILE 363 HG13 -0.31 0.03 -0.26 -0.04 1.21 0.63 1v8bB1 ILE 363 HG23 -0.36 -0.03 -0.20 -0.04 0.93 0.30 1v8bB1 ILE 363 HD13 -0.68 -0.01 0.01 -0.04 0.88 0.16 1v8bB1 GLU 364 H -0.27 0.67 0.28 -0.55 8.60 8.74 1v8bB1 GLU 364 HA -0.16 0.12 0.96 -0.75 4.29 4.46 1v8bB1 GLU 364 HB2 -0.49 0.01 -0.10 -0.04 2.09 1.47 1v8bB1 GLU 364 HB3 -0.16 -0.02 0.15 -0.04 1.99 1.91 1v8bB1 GLU 364 HG2 -0.05 0.07 -0.08 -0.04 2.34 2.24 1v8bB1 GLU 364 HG3 -0.05 -0.01 0.04 -0.04 2.34 2.29 1v8bB1 ASN 365 H -0.06 0.17 0.13 -0.55 8.53 8.22 1v8bB1 ASN 365 HA -0.04 0.01 0.72 -0.75 4.76 4.69 1v8bB1 ASN 365 HB2 -0.02 -0.06 0.07 -0.04 2.88 2.84 1v8bB1 ASN 365 HB3 -0.02 0.02 0.13 -0.04 2.79 2.89 1v8bB1 ASN 365 HD21 -0.02 -0.02 -0.12 -0.04 7.03 6.84 1v8bB1 ASN 365 HD22 -0.01 -0.10 -0.03 -0.04 7.74 7.55 1v8bB1 VAL 366 H -0.03 0.46 0.48 -0.55 8.24 8.59 1v8bB1 VAL 366 HA -0.02 0.11 0.70 -0.75 4.13 4.17 1v8bB1 VAL 366 HB -0.03 0.02 0.08 -0.04 2.12 2.15 1v8bB1 VAL 366 HG13 -0.02 0.01 -0.08 -0.04 0.97 0.84 1v8bB1 VAL 366 HG23 -0.02 -0.01 -0.05 -0.04 0.95 0.83 1v8bB1 LYS 367 H -0.03 0.48 0.34 -0.55 8.42 8.66 1v8bB1 LYS 367 HA -0.01 0.09 0.47 -0.75 4.32 4.11 1v8bB1 LYS 367 HB2 -0.02 -0.01 0.18 -0.04 1.87 1.98 1v8bB1 LYS 367 HB3 -0.02 0.12 -0.16 -0.04 1.79 1.69 1v8bB1 LYS 367 HG2 -0.04 -0.08 -0.08 -0.04 1.46 1.22 1v8bB1 LYS 367 HG3 -0.03 0.09 -0.34 -0.04 1.46 1.13 1v8bB1 LYS 367 HD2 -0.03 0.04 0.02 -0.04 1.69 1.68 1v8bB1 LYS 367 HD3 -0.02 -0.06 0.02 -0.04 1.68 1.58 1v8bB1 LYS 367 HE2 -0.02 -0.07 -0.02 -0.04 2.99 2.84 1v8bB1 LYS 367 HE3 -0.04 0.03 -0.01 -0.04 2.99 2.93 1v8bB1 PRO 368 HA -0.04 -0.07 0.49 -0.51 4.44 4.31 1v8bB1 PRO 368 HB2 -0.02 0.09 0.13 -0.04 2.28 2.44 1v8bB1 PRO 368 HB3 -0.02 -0.01 0.11 -0.04 2.02 2.05 1v8bB1 PRO 368 HG2 0.00 0.05 0.11 -0.04 2.03 2.15 1v8bB1 PRO 368 HG3 -0.00 0.02 0.10 -0.04 2.03 2.10 1v8bB1 PRO 368 HD2 -0.01 0.18 0.22 -0.04 3.68 4.02 1v8bB1 PRO 368 HD3 -0.01 0.15 0.22 -0.04 3.65 3.96 1v8bB1 GLN 369 H -0.13 0.08 0.22 -0.55 8.47 8.09 1v8bB1 GLN 369 HA -0.23 -0.10 0.38 -0.75 4.36 3.65 1v8bB1 GLN 369 HB2 -0.12 0.38 -0.21 -0.04 2.15 2.16 1v8bB1 GLN 369 HB3 -0.15 -0.19 0.21 -0.04 2.02 1.86 1v8bB1 GLN 369 HG2 -0.25 0.16 -0.04 -0.04 2.40 2.24 1v8bB1 GLN 369 HG3 -0.71 -0.16 0.07 -0.04 2.39 1.56 1v8bB1 GLN 369 HE21 -0.23 0.04 0.06 -0.04 6.97 6.80 1v8bB1 GLN 369 HE22 -0.82 -0.06 0.06 -0.04 7.69 6.83 1v8bB1 VAL 370 H -0.05 0.57 -0.27 -0.55 8.24 7.94 1v8bB1 VAL 370 HA -0.03 0.15 1.07 -0.75 4.13 4.57 1v8bB1 VAL 370 HB -0.04 -0.08 0.09 -0.04 2.12 2.04 1v8bB1 VAL 370 HG13 -0.05 0.02 -0.10 -0.04 0.97 0.80 1v8bB1 VAL 370 HG23 -0.05 0.10 -0.14 -0.04 0.95 0.81 1v8bB1 ASP 371 H 0.02 0.57 0.34 -0.55 8.40 8.78 1v8bB1 ASP 371 HA -0.03 0.14 1.19 -0.75 4.63 5.18 1v8bB1 ASP 371 HB2 0.12 -0.05 0.05 -0.04 2.71 2.78 1v8bB1 ASP 371 HB3 -0.05 0.05 -0.08 -0.04 2.70 2.57 1v8bB1 ARG 372 H -0.08 0.93 0.39 -0.55 8.46 9.15 1v8bB1 ARG 372 HA -0.03 0.29 1.17 -0.75 4.34 5.01 1v8bB1 ARG 372 HB2 -0.03 -0.03 0.01 -0.04 1.90 1.81 1v8bB1 ARG 372 HB3 -0.08 -0.01 0.18 -0.04 1.80 1.85 1v8bB1 ARG 372 HG2 -0.03 -0.01 -0.21 -0.04 1.67 1.37 1v8bB1 ARG 372 HG3 -0.00 0.08 -0.12 -0.04 1.67 1.59 1v8bB1 ARG 372 HD2 0.01 0.00 -0.08 -0.04 3.22 3.11 1v8bB1 ARG 372 HD3 0.01 0.00 -0.06 -0.04 3.22 3.13 1v8bB1 ILE 373 H -0.03 0.66 0.31 -0.55 8.25 8.64 1v8bB1 ILE 373 HA -0.16 0.31 1.08 -0.75 4.18 4.66 1v8bB1 ILE 373 HB 0.00 -0.03 0.05 -0.04 1.89 1.87 1v8bB1 ILE 373 HG12 -0.01 -0.05 -0.16 -0.04 1.49 1.22 1v8bB1 ILE 373 HG13 -0.32 0.05 -0.14 -0.04 1.21 0.75 1v8bB1 ILE 373 HG23 -0.01 -0.00 -0.36 -0.04 0.93 0.51 1v8bB1 ILE 373 HD13 -0.00 -0.07 -0.32 -0.04 0.88 0.45 1v8bB1 THR 374 H -0.06 0.65 0.35 -0.55 8.28 8.66 1v8bB1 THR 374 HA 0.01 0.17 0.76 -0.75 4.39 4.57 1v8bB1 THR 374 HB 0.11 -0.14 0.25 -0.04 4.32 4.50 1v8bB1 THR 374 HG23 0.06 0.07 -0.13 -0.04 1.22 1.18 1v8bB1 LEU 375 H 0.02 0.98 0.26 -0.55 8.37 9.07 1v8bB1 LEU 375 HA 0.04 0.07 0.47 -0.75 4.35 4.18 1v8bB1 LEU 375 HB2 0.01 -0.10 0.08 -0.04 1.64 1.59 1v8bB1 LEU 375 HB3 0.01 -0.03 0.12 -0.04 1.64 1.70 1v8bB1 LEU 375 HG 0.00 0.11 0.00 -0.04 1.64 1.71 1v8bB1 LEU 375 HD13 -0.01 0.01 -0.06 -0.04 0.93 0.82 1v8bB1 LEU 375 HD23 -0.01 -0.04 -0.15 -0.04 0.89 0.65 1v8bB1 PRO 376 HA 0.06 0.18 0.44 -0.51 4.44 4.61 1v8bB1 PRO 376 HB2 0.08 -0.02 0.07 -0.04 2.28 2.36 1v8bB1 PRO 376 HB3 0.09 0.03 0.10 -0.04 2.02 2.20 1v8bB1 PRO 376 HG2 0.31 -0.02 0.06 -0.04 2.03 2.34 1v8bB1 PRO 376 HG3 0.22 0.17 0.01 -0.04 2.03 2.40 1v8bB1 PRO 376 HD2 0.05 0.08 0.19 -0.04 3.68 3.96 1v8bB1 PRO 376 HD3 0.10 0.12 0.17 -0.04 3.65 3.99 1v8bB1 ASN 377 H 0.03 0.11 -0.25 -0.55 8.53 7.87 1v8bB1 ASN 377 HA 0.02 0.13 0.53 -0.75 4.76 4.69 1v8bB1 ASN 377 HB2 0.01 0.01 0.14 -0.04 2.88 3.00 1v8bB1 ASN 377 HB3 0.02 -0.00 0.07 -0.04 2.79 2.84 1v8bB1 ASN 377 HD21 0.00 0.12 -0.05 -0.04 7.03 7.06 1v8bB1 ASN 377 HD22 0.01 -0.02 -0.00 -0.04 7.74 7.68 1v8bB1 GLY 378 H 0.03 0.60 -0.55 -0.55 8.43 7.97 1v8bB1 GLY 378 HA2 0.02 0.04 0.27 -0.51 4.01 3.83 1v8bB1 GLY 378 HA3 0.01 0.15 0.78 -0.51 4.01 4.45 1v8bB1 ASN 379 H 0.01 0.05 -0.34 -0.55 8.53 7.71 1v8bB1 ASN 379 HA 0.01 0.02 0.41 -0.75 4.76 4.45 1v8bB1 ASN 379 HB2 0.00 -0.02 -0.02 -0.04 2.88 2.81 1v8bB1 ASN 379 HB3 0.00 0.08 -0.28 -0.04 2.79 2.55 1v8bB1 ASN 379 HD21 0.00 0.01 -0.02 -0.04 7.03 6.98 1v8bB1 ASN 379 HD22 0.00 -0.02 -0.07 -0.04 7.74 7.62 1v8bB1 LYS 380 H 0.01 0.10 0.25 -0.55 8.42 8.22 1v8bB1 LYS 380 HA 0.00 0.40 1.06 -0.75 4.32 5.03 1v8bB1 LYS 380 HB2 0.01 -0.08 0.20 -0.04 1.87 1.96 1v8bB1 LYS 380 HB3 0.00 0.02 -0.04 -0.04 1.79 1.73 1v8bB1 LYS 380 HG2 0.01 0.01 -0.12 -0.04 1.46 1.33 1v8bB1 LYS 380 HG3 0.02 0.12 0.02 -0.04 1.46 1.57 1v8bB1 LYS 380 HD2 0.02 -0.03 0.01 -0.04 1.69 1.64 1v8bB1 LYS 380 HD3 0.01 -0.02 -0.06 -0.04 1.68 1.58 1v8bB1 LYS 380 HE2 0.03 0.05 0.01 -0.04 2.99 3.04 1v8bB1 LYS 380 HE3 0.03 -0.04 -0.01 -0.04 2.99 2.93 1v8bB1 ILE 381 H 0.00 0.58 0.35 -0.55 8.25 8.63 1v8bB1 ILE 381 HA 0.03 0.15 1.02 -0.75 4.18 4.61 1v8bB1 ILE 381 HB 0.02 0.10 0.06 -0.04 1.89 2.03 1v8bB1 ILE 381 HG12 0.01 0.11 0.06 -0.04 1.49 1.63 1v8bB1 ILE 381 HG13 0.03 -0.13 -0.26 -0.04 1.21 0.80 1v8bB1 ILE 381 HG23 0.00 0.04 -0.17 -0.04 0.93 0.76 1v8bB1 ILE 381 HD13 0.01 -0.01 -0.12 -0.04 0.88 0.72 1v8bB1 ILE 382 H 0.04 0.83 0.32 -0.55 8.25 8.88 1v8bB1 ILE 382 HA 0.01 0.26 1.12 -0.75 4.18 4.82 1v8bB1 ILE 382 HB 0.01 0.02 0.11 -0.04 1.89 2.00 1v8bB1 ILE 382 HG12 0.01 0.01 -0.10 -0.04 1.49 1.37 1v8bB1 ILE 382 HG13 0.06 -0.03 -0.24 -0.04 1.21 0.96 1v8bB1 ILE 382 HG23 -0.05 -0.02 -0.14 -0.04 0.93 0.68 1v8bB1 ILE 382 HD13 0.03 0.02 -0.06 -0.04 0.88 0.84 1v8bB1 VAL 383 H 0.04 0.71 0.39 -0.55 8.24 8.83 1v8bB1 VAL 383 HA 0.05 0.25 1.10 -0.75 4.13 4.78 1v8bB1 VAL 383 HB 0.19 -0.01 0.10 -0.04 2.12 2.35 1v8bB1 VAL 383 HG13 0.05 -0.05 -0.13 -0.04 0.97 0.80 1v8bB1 VAL 383 HG23 0.14 0.02 -0.19 -0.04 0.95 0.88 1v8bB1 LEU 384 H 0.03 0.54 0.39 -0.55 8.37 8.78 1v8bB1 LEU 384 HA -0.01 0.34 1.09 -0.75 4.35 5.02 1v8bB1 LEU 384 HB2 0.02 -0.17 0.21 -0.04 1.64 1.66 1v8bB1 LEU 384 HB3 -0.01 0.06 0.11 -0.04 1.64 1.76 1v8bB1 LEU 384 HG 0.03 0.06 -0.08 -0.04 1.64 1.61 1v8bB1 LEU 384 HD13 0.03 -0.01 -0.11 -0.04 0.93 0.81 1v8bB1 LEU 384 HD23 -0.03 0.04 -0.14 -0.04 0.89 0.73 1v8bB1 ALA 385 H -0.06 1.07 0.39 -0.55 8.40 9.25 1v8bB1 ALA 385 HA -0.22 0.03 0.36 -0.75 4.34 3.75 1v8bB1 ALA 385 HB3 0.00 0.05 -0.06 -0.04 1.41 1.36 1v8bB1 ARG 386 H 0.00 0.18 -0.55 -0.55 8.46 7.54 1v8bB1 ARG 386 HA -0.08 0.05 0.15 -0.75 4.34 3.72 1v8bB1 ARG 386 HB2 0.10 0.06 -0.19 -0.04 1.90 1.83 1v8bB1 ARG 386 HB3 -0.11 -0.03 0.14 -0.04 1.80 1.75 1v8bB1 ARG 386 HG2 0.16 0.07 -0.06 -0.04 1.67 1.79 1v8bB1 ARG 386 HG3 0.06 -0.05 -0.18 -0.04 1.67 1.47 1v8bB1 ARG 386 HD2 0.16 -0.02 -0.08 -0.04 3.22 3.25 1v8bB1 ARG 386 HD3 0.07 -0.03 -0.04 -0.04 3.22 3.17 1v8bB1 GLY 387 H -0.01 0.47 -0.17 -0.55 8.43 8.17 1v8bB1 GLY 387 HA2 -0.02 -0.08 0.32 -0.51 4.01 3.72 1v8bB1 GLY 387 HA3 -0.06 0.03 0.53 -0.51 4.01 4.01 1v8bB1 ARG 388 H 0.05 0.56 -0.30 -0.55 8.46 8.22 1v8bB1 ARG 388 HA 0.01 0.34 0.80 -0.75 4.34 4.74 1v8bB1 ARG 388 HB2 0.23 0.17 0.04 -0.04 1.90 2.30 1v8bB1 ARG 388 HB3 0.07 -0.22 0.06 -0.04 1.80 1.68 1v8bB1 ARG 388 HG2 0.00 -0.08 -0.23 -0.04 1.67 1.33 1v8bB1 ARG 388 HG3 0.07 0.23 -0.14 -0.04 1.67 1.79 1v8bB1 ARG 388 HD2 -0.13 0.08 -0.04 -0.04 3.22 3.09 1v8bB1 ARG 388 HD3 -0.15 -0.17 -0.00 -0.04 3.22 2.86 1v8bB1 LEU 389 H 0.01 0.03 0.04 -0.55 8.37 7.90 1v8bB1 LEU 389 HA -0.00 0.12 0.32 -0.75 4.35 4.03 1v8bB1 LEU 389 HB2 -0.01 -0.05 0.10 -0.04 1.64 1.64 1v8bB1 LEU 389 HB3 -0.05 -0.09 0.03 -0.04 1.64 1.49 1v8bB1 LEU 389 HG -0.02 -0.05 0.07 -0.04 1.64 1.60 1v8bB1 LEU 389 HD13 -0.04 -0.01 0.03 -0.04 0.93 0.86 1v8bB1 LEU 389 HD23 -0.04 0.09 -0.17 -0.04 0.89 0.73 1v8bB1 LEU 390 H 0.01 0.49 0.36 -0.55 8.37 8.68 1v8bB1 LEU 390 HA 0.01 0.13 0.51 -0.75 4.35 4.25 1v8bB1 LEU 390 HB2 0.01 0.09 0.04 -0.04 1.64 1.73 1v8bB1 LEU 390 HB3 0.02 0.03 0.13 -0.04 1.64 1.78 1v8bB1 LEU 390 HG 0.02 -0.21 0.04 -0.04 1.64 1.45 1v8bB1 LEU 390 HD13 0.01 0.04 -0.32 -0.04 0.93 0.62 1v8bB1 LEU 390 HD23 0.03 0.00 -0.23 -0.04 0.89 0.66 1v8bB1 ASN 391 H 0.00 0.08 -0.04 -0.55 8.53 8.03 1v8bB1 ASN 391 HA 0.02 0.23 0.41 -0.75 4.76 4.67 1v8bB1 ASN 391 HB2 0.06 0.00 -0.04 -0.04 2.88 2.86 1v8bB1 ASN 391 HB3 0.04 0.09 -0.12 -0.04 2.79 2.76 1v8bB1 ASN 391 HD21 -0.13 -0.00 -0.04 -0.04 7.03 6.81 1v8bB1 ASN 391 HD22 0.06 0.02 -0.11 -0.04 7.74 7.66 1v8bB1 LEU 392 H -0.04 0.04 -0.39 -0.55 8.37 7.43 1v8bB1 LEU 392 HA -0.04 0.15 0.53 -0.75 4.35 4.24 1v8bB1 LEU 392 HB2 -0.14 -0.05 -0.02 -0.04 1.64 1.39 1v8bB1 LEU 392 HB3 -0.12 -0.00 -0.05 -0.04 1.64 1.43 1v8bB1 LEU 392 HG -0.21 -0.09 -0.18 -0.04 1.64 1.13 1v8bB1 LEU 392 HD13 -0.77 -0.02 -0.02 -0.04 0.93 0.07 1v8bB1 LEU 392 HD23 -0.19 0.03 -0.12 -0.04 0.89 0.57 1v8bB1 GLY 393 H 0.01 0.15 -0.27 -0.55 8.43 7.78 1v8bB1 GLY 393 HA2 0.07 0.14 0.49 -0.51 4.01 4.20 1v8bB1 GLY 393 HA3 0.03 -0.00 0.25 -0.51 4.01 3.77 1v8bB1 CYS 394 H -0.00 0.51 0.10 -0.55 8.50 8.56 1v8bB1 CYS 394 HA -0.02 0.21 0.76 -0.75 4.58 4.77 1v8bB1 CYS 394 HB2 -0.01 0.00 0.11 -0.04 2.97 3.03 1v8bB1 CYS 394 HB3 -0.02 0.07 0.14 -0.04 2.97 3.12 1v8bB1 ALA 395 H 0.02 -0.03 -0.43 -0.55 8.40 7.41 1v8bB1 ALA 395 HA 0.04 0.23 0.68 -0.75 4.34 4.54 1v8bB1 ALA 395 HB3 0.04 0.02 0.02 -0.04 1.41 1.45 1v8bB1 THR 396 H 0.08 0.15 0.11 -0.55 8.28 8.08 1v8bB1 THR 396 HA 0.06 0.25 0.93 -0.75 4.39 4.88 1v8bB1 THR 396 HB 0.12 -0.14 0.18 -0.04 4.32 4.44 1v8bB1 THR 396 HG23 0.14 0.01 -0.12 -0.04 1.22 1.21 1v8bB1 GLY 397 H 0.04 0.49 -0.04 -0.55 8.43 8.36 1v8bB1 GLY 397 HA2 -0.01 -0.10 0.07 -0.51 4.01 3.45 1v8bB1 GLY 397 HA3 -0.06 -0.02 0.31 -0.51 4.01 3.73 1v8bB1 HIS 398 H -0.14 -0.03 0.09 -0.55 8.41 7.78 1v8bB1 HIS 398 HA 0.04 0.13 0.41 -0.75 4.63 4.46 1v8bB1 HIS 398 HB2 -0.03 -0.07 0.04 -0.04 3.26 3.17 1v8bB1 HIS 398 HB3 -0.01 0.07 0.08 -0.04 3.20 3.30 1v8bB1 HIS 398 HD2 -0.02 -0.03 -0.03 -0.04 6.97 6.84 1v8bB1 HIS 398 HE1 0.00 -0.00 -0.22 -0.04 7.75 7.49 1v8bB1 PRO 399 HA -0.02 0.16 0.53 -0.51 4.44 4.60 1v8bB1 PRO 399 HB2 -0.12 -0.03 0.09 -0.04 2.28 2.17 1v8bB1 PRO 399 HB3 -0.47 0.15 0.13 -0.04 2.02 1.79 1v8bB1 PRO 399 HG2 -0.09 -0.19 0.09 -0.04 2.03 1.80 1v8bB1 PRO 399 HG3 -0.52 0.18 0.09 -0.04 2.03 1.73 1v8bB1 PRO 399 HD2 -0.08 0.02 0.30 -0.04 3.68 3.87 1v8bB1 PRO 399 HD3 -0.36 0.22 0.19 -0.04 3.65 3.66 1v8bB1 ALA 400 H 0.03 0.22 0.17 -0.55 8.40 8.27 1v8bB1 ALA 400 HA 0.03 -0.01 0.35 -0.75 4.34 3.96 1v8bB1 ALA 400 HB3 0.05 0.05 0.05 -0.04 1.41 1.52 1v8bB1 PHE 401 H 0.17 0.07 -0.12 -0.55 8.34 7.91 1v8bB1 PHE 401 HA -0.02 0.47 0.60 -0.75 4.62 4.92 1v8bB1 PHE 401 HB2 -0.01 0.02 0.18 -0.04 3.15 3.29 1v8bB1 PHE 401 HB3 -0.01 -0.08 0.04 -0.04 3.06 2.97 1v8bB1 PHE 401 HD2 0.07 -0.00 -0.07 -0.04 7.28 7.24 1v8bB1 PHE 401 HE2 0.15 0.01 -0.02 -0.04 7.38 7.47 1v8bB1 PHE 401 HZ 0.13 0.11 0.01 -0.04 7.32 7.54 1v8bB1 VAL 402 H 0.14 0.18 -0.25 -0.55 8.24 7.76 1v8bB1 VAL 402 HA 0.36 0.13 0.49 -0.75 4.13 4.35 1v8bB1 VAL 402 HB 0.05 0.11 0.09 -0.04 2.12 2.33 1v8bB1 VAL 402 HG13 0.04 -0.03 -0.15 -0.04 0.97 0.78 1v8bB1 VAL 402 HG23 0.09 0.02 -0.09 -0.04 0.95 0.93 1v8bB1 MET 403 H -0.02 0.49 -0.13 -0.55 8.47 8.27 1v8bB1 MET 403 HA -0.27 -0.07 0.39 -0.75 4.52 3.82 1v8bB1 MET 403 HB2 -0.14 0.14 0.02 -0.04 2.15 2.13 1v8bB1 MET 403 HB3 -0.85 -0.05 -0.01 -0.04 2.03 1.07 1v8bB1 MET 403 HG2 -0.00 0.22 -0.20 -0.04 2.63 2.60 1v8bB1 MET 403 HG3 -0.09 -0.06 -0.09 -0.04 2.56 2.28 1v8bB1 MET 403 HE3 -0.50 -0.02 -0.00 -0.04 2.10 1.54 1v8bB1 SER 404 H -0.15 0.40 -0.57 -0.55 8.46 7.59 1v8bB1 SER 404 HA -0.05 0.00 0.39 -0.75 4.49 4.08 1v8bB1 SER 404 HB2 -0.19 0.17 0.20 -0.04 3.95 4.10 1v8bB1 SER 404 HB3 -0.54 0.30 0.16 -0.04 3.93 3.81 1v8bB1 PHE 405 H -0.12 0.41 -0.19 -0.55 8.34 7.88 1v8bB1 PHE 405 HA -0.07 0.07 0.46 -0.75 4.62 4.33 1v8bB1 PHE 405 HB2 -0.02 0.02 0.24 -0.04 3.15 3.35 1v8bB1 PHE 405 HB3 0.01 0.19 0.14 -0.04 3.06 3.36 1v8bB1 PHE 405 HD2 -0.09 -0.00 0.10 -0.04 7.28 7.25 1v8bB1 PHE 405 HE2 -0.10 0.01 -0.03 -0.04 7.38 7.22 1v8bB1 PHE 405 HZ -0.12 0.05 -0.01 -0.04 7.32 7.20 1v8bB1 SER 406 H 0.02 0.24 -0.07 -0.55 8.46 8.11 1v8bB1 SER 406 HA 0.07 0.05 0.43 -0.75 4.49 4.29 1v8bB1 SER 406 HB2 -0.32 0.07 0.13 -0.04 3.95 3.79 1v8bB1 SER 406 HB3 0.02 -0.05 0.05 -0.04 3.93 3.91 1v8bB1 PHE 407 H -0.13 0.77 -0.04 -0.55 8.34 8.38 1v8bB1 PHE 407 HA 0.03 -0.03 0.43 -0.75 4.62 4.29 1v8bB1 PHE 407 HB2 -0.01 0.12 0.05 -0.04 3.15 3.26 1v8bB1 PHE 407 HB3 -0.02 0.00 0.05 -0.04 3.06 3.05 1v8bB1 PHE 407 HD2 0.03 0.02 -0.15 -0.04 7.28 7.13 1v8bB1 PHE 407 HE2 0.06 -0.11 -0.40 -0.04 7.38 6.90 1v8bB1 PHE 407 HZ 0.09 -0.09 -0.13 -0.04 7.32 7.15 1v8bB1 CYS 408 H 0.08 0.38 -0.51 -0.55 8.50 7.91 1v8bB1 CYS 408 HA -0.15 0.08 0.53 -0.75 4.58 4.30 1v8bB1 CYS 408 HB2 0.08 0.14 0.18 -0.04 2.97 3.34 1v8bB1 CYS 408 HB3 -0.01 -0.04 -0.03 -0.04 2.97 2.85 1v8bB1 ASN 409 H 0.09 0.45 -0.11 -0.55 8.53 8.41 1v8bB1 ASN 409 HA 0.20 0.05 0.42 -0.75 4.76 4.68 1v8bB1 ASN 409 HB2 0.09 0.12 0.14 -0.04 2.88 3.19 1v8bB1 ASN 409 HB3 0.09 -0.07 0.04 -0.04 2.79 2.81 1v8bB1 ASN 409 HD21 0.08 -0.12 -0.10 -0.04 7.03 6.85 1v8bB1 ASN 409 HD22 0.09 0.21 -0.05 -0.04 7.74 7.96 1v8bB1 GLN 410 H 0.12 0.35 -0.29 -0.55 8.47 8.10 1v8bB1 GLN 410 HA 0.09 0.00 0.39 -0.75 4.36 4.09 1v8bB1 GLN 410 HB2 0.18 0.06 0.14 -0.04 2.15 2.49 1v8bB1 GLN 410 HB3 0.09 0.03 -0.08 -0.04 2.02 2.02 1v8bB1 GLN 410 HG2 0.19 0.05 -0.06 -0.04 2.40 2.54 1v8bB1 GLN 410 HG3 0.30 -0.06 -0.09 -0.04 2.39 2.50 1v8bB1 GLN 410 HE21 0.08 0.16 -0.12 -0.04 6.97 7.05 1v8bB1 GLN 410 HE22 0.14 -0.12 -0.10 -0.04 7.69 7.57 1v8bB1 THR 411 H -0.02 0.55 -0.15 -0.55 8.28 8.11 1v8bB1 THR 411 HA -0.04 0.04 0.35 -0.75 4.39 3.99 1v8bB1 THR 411 HB -0.33 0.07 0.14 -0.04 4.32 4.16 1v8bB1 THR 411 HG23 -0.18 0.00 -0.12 -0.04 1.22 0.89 1v8bB1 PHE 412 H -0.11 0.52 -0.24 -0.55 8.34 7.95 1v8bB1 PHE 412 HA -0.06 0.07 0.40 -0.75 4.62 4.28 1v8bB1 PHE 412 HB2 0.00 0.05 0.09 -0.04 3.15 3.25 1v8bB1 PHE 412 HB3 -0.01 -0.06 -0.03 -0.04 3.06 2.92 1v8bB1 PHE 412 HD2 -0.08 -0.04 -0.06 -0.04 7.28 7.07 1v8bB1 PHE 412 HE2 -0.08 -0.00 -0.05 -0.04 7.38 7.20 1v8bB1 PHE 412 HZ 0.23 0.02 -0.06 -0.04 7.32 7.48 1v8bB1 ALA 413 H 0.12 0.37 -0.45 -0.55 8.40 7.90 1v8bB1 ALA 413 HA 0.09 0.00 0.40 -0.75 4.34 4.07 1v8bB1 ALA 413 HB3 0.06 0.02 0.07 -0.04 1.41 1.52 1v8bB1 GLN 414 H 0.06 0.49 -0.17 -0.55 8.47 8.31 1v8bB1 GLN 414 HA 0.07 0.03 0.37 -0.75 4.36 4.08 1v8bB1 GLN 414 HB2 0.01 0.11 0.10 -0.04 2.15 2.33 1v8bB1 GLN 414 HB3 0.01 0.03 -0.08 -0.04 2.02 1.94 1v8bB1 GLN 414 HG2 0.04 0.07 -0.04 -0.04 2.40 2.43 1v8bB1 GLN 414 HG3 0.03 -0.04 -0.12 -0.04 2.39 2.22 1v8bB1 GLN 414 HE21 0.02 0.04 -0.19 -0.04 6.97 6.80 1v8bB1 GLN 414 HE22 0.04 -0.08 -0.16 -0.04 7.69 7.45 1v8bB1 LEU 415 H 0.07 0.61 -0.11 -0.55 8.37 8.39 1v8bB1 LEU 415 HA 0.13 0.09 0.34 -0.75 4.35 4.16 1v8bB1 LEU 415 HB2 0.10 0.02 0.16 -0.04 1.64 1.88 1v8bB1 LEU 415 HB3 0.08 -0.01 -0.07 -0.04 1.64 1.60 1v8bB1 LEU 415 HG -0.22 -0.05 -0.04 -0.04 1.64 1.29 1v8bB1 LEU 415 HD13 0.07 0.01 -0.05 -0.04 0.93 0.92 1v8bB1 LEU 415 HD23 -0.07 0.01 -0.07 -0.04 0.89 0.71 1v8bB1 ASP 416 H 0.14 0.58 -0.16 -0.55 8.40 8.40 1v8bB1 ASP 416 HA 0.13 0.04 0.34 -0.75 4.63 4.38 1v8bB1 ASP 416 HB2 0.12 0.09 0.11 -0.04 2.71 3.00 1v8bB1 ASP 416 HB3 0.16 0.02 -0.02 -0.04 2.70 2.82 1v8bB1 LEU 417 H 0.13 0.39 -0.41 -0.55 8.37 7.93 1v8bB1 LEU 417 HA 0.17 0.02 0.32 -0.75 4.35 4.10 1v8bB1 LEU 417 HB2 0.06 0.33 0.12 -0.04 1.64 2.10 1v8bB1 LEU 417 HB3 0.12 0.04 -0.05 -0.04 1.64 1.71 1v8bB1 LEU 417 HG 0.04 0.08 -0.24 -0.04 1.64 1.48 1v8bB1 LEU 417 HD13 -0.21 -0.02 -0.12 -0.04 0.93 0.54 1v8bB1 LEU 417 HD23 0.01 -0.04 -0.29 -0.04 0.89 0.53 1v8bB1 TRP 418 H 0.31 0.56 -0.17 -0.55 7.97 8.12 1v8bB1 TRP 418 HA 0.01 0.06 0.48 -0.75 4.62 4.41 1v8bB1 TRP 418 HB2 0.00 -0.06 0.06 -0.04 3.23 3.18 1v8bB1 TRP 418 HB3 0.02 0.08 0.11 -0.04 3.23 3.40 1v8bB1 TRP 418 HD1 0.02 0.03 -0.10 -0.04 7.22 7.13 1v8bB1 TRP 418 HE1 0.01 0.11 0.01 -0.04 10.20 10.28 1v8bB1 TRP 418 HE3 -0.04 -0.04 -0.01 -0.04 7.59 7.46 1v8bB1 TRP 418 HZ2 -0.02 0.15 -0.09 -0.04 7.44 7.43 1v8bB1 TRP 418 HZ3 -0.08 -0.04 0.06 -0.04 7.13 7.04 1v8bB1 TRP 418 HH2 -0.06 0.06 -0.09 -0.04 7.19 7.06 1v8bB1 GLN 419 H 0.20 0.54 -0.13 -0.55 8.47 8.52 1v8bB1 GLN 419 HA -0.05 0.11 0.54 -0.75 4.36 4.20 1v8bB1 GLN 419 HB2 0.12 0.09 0.10 -0.04 2.15 2.41 1v8bB1 GLN 419 HB3 0.06 -0.09 0.04 -0.04 2.02 1.99 1v8bB1 GLN 419 HG2 0.12 -0.02 0.06 -0.04 2.40 2.52 1v8bB1 GLN 419 HG3 0.25 0.07 0.02 -0.04 2.39 2.69 1v8bB1 GLN 419 HE21 0.15 -0.08 -0.06 -0.04 6.97 6.93 1v8bB1 GLN 419 HE22 0.10 -0.01 -0.04 -0.04 7.69 7.70 1v8bB1 ASN 420 H 0.03 0.34 -0.59 -0.55 8.53 7.76 1v8bB1 ASN 420 HA -0.06 0.12 0.89 -0.75 4.76 4.96 1v8bB1 ASN 420 HB2 0.07 0.20 0.08 -0.04 2.88 3.19 1v8bB1 ASN 420 HB3 -0.10 -0.20 0.17 -0.04 2.79 2.62 1v8bB1 ASN 420 HD21 0.00 -0.12 -0.05 -0.04 7.03 6.82 1v8bB1 ASN 420 HD22 0.11 0.39 0.02 -0.04 7.74 8.22 1v8bB1 LYS 421 H -0.18 0.35 -0.28 -0.55 8.42 7.76 1v8bB1 LYS 421 HA -0.06 0.13 0.57 -0.75 4.32 4.21 1v8bB1 LYS 421 HB2 -0.21 -0.01 0.15 -0.04 1.87 1.77 1v8bB1 LYS 421 HB3 -0.25 0.06 0.21 -0.04 1.79 1.77 1v8bB1 LYS 421 HG2 -0.57 0.20 0.14 -0.04 1.46 1.19 1v8bB1 LYS 421 HG3 -0.35 -0.06 -0.15 -0.04 1.46 0.87 1v8bB1 LYS 421 HD2 -0.54 -0.03 0.03 -0.04 1.69 1.11 1v8bB1 LYS 421 HD3 -1.39 -0.01 0.10 -0.04 1.68 0.34 1v8bB1 LYS 421 HE2 -0.52 -0.07 0.00 -0.04 2.99 2.36 1v8bB1 LYS 421 HE3 -0.98 -0.02 0.02 -0.04 2.99 1.97 1v8bB1 ASP 422 H -0.15 0.08 -0.23 -0.55 8.40 7.55 1v8bB1 ASP 422 HA -0.09 0.21 0.77 -0.75 4.63 4.77 1v8bB1 ASP 422 HB2 -0.12 -0.00 0.04 -0.04 2.71 2.59 1v8bB1 ASP 422 HB3 -0.08 -0.04 0.16 -0.04 2.70 2.70 1v8bB1 THR 423 H -0.07 0.33 -0.50 -0.55 8.28 7.50 1v8bB1 THR 423 HA -0.05 0.20 0.90 -0.75 4.39 4.68 1v8bB1 THR 423 HB -0.07 -0.11 0.14 -0.04 4.32 4.24 1v8bB1 THR 423 HG23 -0.07 0.00 -0.09 -0.04 1.22 1.02 1v8bB1 ASN 424 H -0.06 0.11 0.06 -0.55 8.53 8.10 1v8bB1 ASN 424 HA -0.02 0.33 0.86 -0.75 4.76 5.17 1v8bB1 ASN 424 HB2 -0.01 -0.00 0.14 -0.04 2.88 2.97 1v8bB1 ASN 424 HB3 -0.02 0.07 -0.03 -0.04 2.79 2.77 1v8bB1 ASN 424 HD21 -0.02 -0.02 0.01 -0.04 7.03 6.95 1v8bB1 ASN 424 HD22 -0.01 0.02 0.01 -0.04 7.74 7.72 1v8bB1 LYS 425 H -0.14 0.21 -0.24 -0.55 8.42 7.69 1v8bB1 LYS 425 HA -0.19 0.07 0.53 -0.75 4.32 3.97 1v8bB1 LYS 425 HB2 -0.26 -0.04 0.07 -0.04 1.87 1.61 1v8bB1 LYS 425 HB3 -0.47 0.10 0.06 -0.04 1.79 1.44 1v8bB1 LYS 425 HG2 -1.11 -0.01 -0.18 -0.04 1.46 0.12 1v8bB1 LYS 425 HG3 -0.37 -0.04 0.05 -0.04 1.46 1.06 1v8bB1 LYS 425 HD2 -0.27 0.00 -0.01 -0.04 1.69 1.37 1v8bB1 LYS 425 HD3 -0.62 0.08 -0.06 -0.04 1.68 1.04 1v8bB1 LYS 425 HE2 -0.47 -0.03 -0.05 -0.04 2.99 2.40 1v8bB1 LYS 425 HE3 -0.20 -0.03 -0.01 -0.04 2.99 2.70 1v8bB1 TYR 426 H -0.10 0.23 -0.07 -0.55 8.29 7.80 1v8bB1 TYR 426 HA -0.41 0.10 1.00 -0.75 4.56 4.49 1v8bB1 TYR 426 HB2 -0.11 0.11 0.09 -0.04 3.06 3.11 1v8bB1 TYR 426 HB3 -0.18 0.05 0.01 -0.04 2.98 2.83 1v8bB1 TYR 426 HD2 -1.07 0.08 -0.04 -0.04 7.15 6.08 1v8bB1 TYR 426 HE2 -0.22 0.00 -0.17 -0.04 6.85 6.42 1v8bB1 GLU 427 H 0.50 0.04 0.08 -0.55 8.60 8.67 1v8bB1 GLU 427 HA 0.15 0.27 0.71 -0.75 4.29 4.66 1v8bB1 GLU 427 HB2 0.26 -0.06 -0.03 -0.04 2.09 2.22 1v8bB1 GLU 427 HB3 0.13 -0.08 0.08 -0.04 1.99 2.09 1v8bB1 GLU 427 HG2 0.10 0.08 -0.08 -0.04 2.34 2.39 1v8bB1 GLU 427 HG3 0.16 0.01 -0.21 -0.04 2.34 2.26 1v8bB1 ASN 428 H 0.11 0.19 -0.01 -0.55 8.53 8.27 1v8bB1 ASN 428 HA 0.13 0.11 0.17 -0.75 4.76 4.42 1v8bB1 ASN 428 HB2 0.05 -0.04 0.09 -0.04 2.88 2.94 1v8bB1 ASN 428 HB3 0.03 0.09 -0.12 -0.04 2.79 2.75 1v8bB1 ASN 428 HD21 0.06 0.12 -0.08 -0.04 7.03 7.08 1v8bB1 ASN 428 HD22 0.03 0.09 -0.05 -0.04 7.74 7.77 1v8bB1 LYS 429 H 0.25 0.52 -0.25 -0.55 8.42 8.39 1v8bB1 LYS 429 HA -0.04 0.15 0.75 -0.75 4.32 4.43 1v8bB1 LYS 429 HB2 -0.40 -0.00 -0.16 -0.04 1.87 1.27 1v8bB1 LYS 429 HB3 -0.23 -0.05 0.09 -0.04 1.79 1.56 1v8bB1 LYS 429 HG2 -0.03 0.15 -0.18 -0.04 1.46 1.36 1v8bB1 LYS 429 HG3 0.05 -0.15 -0.56 -0.04 1.46 0.76 1v8bB1 LYS 429 HD2 -0.06 -0.02 -0.08 -0.04 1.69 1.49 1v8bB1 LYS 429 HD3 -0.11 -0.00 -0.03 -0.04 1.68 1.50 1v8bB1 LYS 429 HE2 0.04 -0.02 -0.08 -0.04 2.99 2.89 1v8bB1 LYS 429 HE3 0.00 -0.00 -0.03 -0.04 2.99 2.92 1v8bB1 VAL 430 H -0.15 0.16 0.15 -0.55 8.24 7.85 1v8bB1 VAL 430 HA 0.02 0.33 0.95 -0.75 4.13 4.68 1v8bB1 VAL 430 HB -0.08 0.00 0.15 -0.04 2.12 2.15 1v8bB1 VAL 430 HG13 -0.01 -0.02 -0.12 -0.04 0.97 0.78 1v8bB1 VAL 430 HG23 -0.03 -0.02 -0.12 -0.04 0.95 0.74 1v8bB1 TYR 431 H 0.18 0.62 0.46 -0.55 8.29 8.99 1v8bB1 TYR 431 HA 0.05 0.22 1.00 -0.75 4.56 5.07 1v8bB1 TYR 431 HB2 -0.08 -0.00 0.02 -0.04 3.06 2.95 1v8bB1 TYR 431 HB3 0.14 0.03 0.09 -0.04 2.98 3.19 1v8bB1 TYR 431 HD2 0.08 0.05 -0.03 -0.04 7.15 7.21 1v8bB1 TYR 431 HE2 0.12 0.10 0.01 -0.04 6.85 7.04 1v8bB1 LEU 432 H 0.21 0.27 0.18 -0.55 8.37 8.48 1v8bB1 LEU 432 HA 0.07 0.13 0.99 -0.75 4.35 4.78 1v8bB1 LEU 432 HB2 0.08 -0.00 0.05 -0.04 1.64 1.72 1v8bB1 LEU 432 HB3 0.05 0.12 -0.04 -0.04 1.64 1.73 1v8bB1 LEU 432 HG 0.03 -0.00 -0.01 -0.04 1.64 1.62 1v8bB1 LEU 432 HD13 0.03 0.03 -0.41 -0.04 0.93 0.54 1v8bB1 LEU 432 HD23 0.03 0.01 -0.04 -0.04 0.89 0.84 1v8bB1 LEU 433 H 0.05 0.11 0.08 -0.55 8.37 8.07 1v8bB1 LEU 433 HA 0.07 0.15 0.46 -0.75 4.35 4.28 1v8bB1 LEU 433 HB2 0.02 -0.09 0.09 -0.04 1.64 1.62 1v8bB1 LEU 433 HB3 -0.00 0.05 -0.00 -0.04 1.64 1.64 1v8bB1 LEU 433 HG 0.06 -0.06 -0.06 -0.04 1.64 1.54 1v8bB1 LEU 433 HD13 0.08 0.02 -0.00 -0.04 0.93 0.98 1v8bB1 LEU 433 HD23 0.07 0.02 -0.11 -0.04 0.89 0.84 1v8bB1 PRO 434 HA 0.06 0.10 0.45 -0.51 4.44 4.54 1v8bB1 PRO 434 HB2 0.22 -0.11 0.06 -0.04 2.28 2.41 1v8bB1 PRO 434 HB3 0.12 0.14 0.15 -0.04 2.02 2.40 1v8bB1 PRO 434 HG2 -0.26 -0.13 0.06 -0.04 2.03 1.67 1v8bB1 PRO 434 HG3 0.14 0.15 0.07 -0.04 2.03 2.36 1v8bB1 PRO 434 HD2 0.01 0.07 0.22 -0.04 3.68 3.94 1v8bB1 PRO 434 HD3 0.09 0.26 0.21 -0.04 3.65 4.17 1v8bB1 LYS 435 H 0.06 0.21 0.20 -0.55 8.42 8.33 1v8bB1 LYS 435 HA 0.01 0.07 0.43 -0.75 4.32 4.09 1v8bB1 LYS 435 HB2 0.05 0.04 0.21 -0.04 1.87 2.13 1v8bB1 LYS 435 HB3 0.04 0.03 -0.00 -0.04 1.79 1.82 1v8bB1 LYS 435 HG2 0.08 0.04 0.06 -0.04 1.46 1.59 1v8bB1 LYS 435 HG3 0.07 0.09 -0.03 -0.04 1.46 1.55 1v8bB1 LYS 435 HD2 0.09 -0.07 -0.01 -0.04 1.69 1.66 1v8bB1 LYS 435 HD3 0.09 -0.08 0.08 -0.04 1.68 1.72 1v8bB1 LYS 435 HE2 0.14 0.11 -0.16 -0.04 2.99 3.05 1v8bB1 LYS 435 HE3 0.36 -0.07 -0.03 -0.04 2.99 3.21 1v8bB1 HIS 436 H 0.15 0.15 -0.09 -0.55 8.41 8.08 1v8bB1 HIS 436 HA -0.04 0.07 0.37 -0.75 4.63 4.26 1v8bB1 HIS 436 HB2 -0.06 0.11 0.01 -0.04 3.26 3.28 1v8bB1 HIS 436 HB3 -0.05 0.03 0.07 -0.04 3.20 3.21 1v8bB1 HIS 436 HD2 -0.08 0.03 -0.21 -0.04 6.97 6.66 1v8bB1 HIS 436 HE1 -0.04 0.05 -0.01 -0.04 7.75 7.71 1v8bB1 LEU 437 H -0.66 0.23 -0.45 -0.55 8.37 6.95 1v8bB1 LEU 437 HA -0.45 0.11 0.44 -0.75 4.35 3.70 1v8bB1 LEU 437 HB2 -0.30 0.19 0.02 -0.04 1.64 1.51 1v8bB1 LEU 437 HB3 -0.24 -0.02 -0.07 -0.04 1.64 1.26 1v8bB1 LEU 437 HG -0.87 -0.04 -0.02 -0.04 1.64 0.66 1v8bB1 LEU 437 HD13 -0.16 0.01 -0.02 -0.04 0.93 0.71 1v8bB1 LEU 437 HD23 -0.74 0.02 -0.02 -0.04 0.89 0.10 1v8bB1 ASP 438 H -0.11 0.36 -0.17 -0.55 8.40 7.93 1v8bB1 ASP 438 HA -0.02 0.01 0.44 -0.75 4.63 4.31 1v8bB1 ASP 438 HB2 -0.04 0.18 0.21 -0.04 2.71 3.02 1v8bB1 ASP 438 HB3 -0.05 0.02 -0.01 -0.04 2.70 2.62 1v8bB1 GLU 439 H -0.01 0.41 -0.12 -0.55 8.60 8.33 1v8bB1 GLU 439 HA 0.08 0.01 0.43 -0.75 4.29 4.06 1v8bB1 GLU 439 HB2 0.04 0.17 0.08 -0.04 2.09 2.34 1v8bB1 GLU 439 HB3 0.14 0.04 0.05 -0.04 1.99 2.17 1v8bB1 GLU 439 HG2 0.14 -0.04 0.03 -0.04 2.34 2.42 1v8bB1 GLU 439 HG3 0.05 0.16 0.07 -0.04 2.34 2.58 1v8bB1 LYS 440 H -0.06 0.35 -0.33 -0.55 8.42 7.82 1v8bB1 LYS 440 HA -0.08 0.05 0.40 -0.75 4.32 3.94 1v8bB1 LYS 440 HB2 -0.11 0.14 0.15 -0.04 1.87 2.01 1v8bB1 LYS 440 HB3 -0.21 0.08 0.16 -0.04 1.79 1.78 1v8bB1 LYS 440 HG2 -0.54 -0.02 -0.11 -0.04 1.46 0.75 1v8bB1 LYS 440 HG3 -0.07 0.01 0.01 -0.04 1.46 1.37 1v8bB1 LYS 440 HD2 -0.10 -0.02 -0.04 -0.04 1.69 1.49 1v8bB1 LYS 440 HD3 -0.33 -0.02 -0.04 -0.04 1.68 1.25 1v8bB1 LYS 440 HE2 0.38 0.00 -0.05 -0.04 2.99 3.28 1v8bB1 LYS 440 HE3 0.15 0.01 -0.04 -0.04 2.99 3.07 1v8bB1 VAL 441 H -0.02 0.58 -0.10 -0.55 8.24 8.16 1v8bB1 VAL 441 HA -0.03 0.03 0.34 -0.75 4.13 3.71 1v8bB1 VAL 441 HB 0.14 0.07 0.18 -0.04 2.12 2.47 1v8bB1 VAL 441 HG13 0.29 -0.01 -0.06 -0.04 0.97 1.16 1v8bB1 VAL 441 HG23 0.25 0.07 -0.00 -0.04 0.95 1.22 1v8bB1 ALA 442 H 0.15 0.45 -0.20 -0.55 8.40 8.26 1v8bB1 ALA 442 HA 0.49 -0.02 0.36 -0.75 4.34 4.42 1v8bB1 ALA 442 HB3 0.21 0.01 0.08 -0.04 1.41 1.67 1v8bB1 LEU 443 H 0.11 0.63 -0.16 -0.55 8.37 8.40 1v8bB1 LEU 443 HA 0.17 -0.04 0.41 -0.75 4.35 4.13 1v8bB1 LEU 443 HB2 0.06 0.18 0.23 -0.04 1.64 2.08 1v8bB1 LEU 443 HB3 0.18 -0.04 -0.03 -0.04 1.64 1.71 1v8bB1 LEU 443 HG 0.14 -0.01 0.05 -0.04 1.64 1.79 1v8bB1 LEU 443 HD13 0.12 -0.01 -0.03 -0.04 0.93 0.96 1v8bB1 LEU 443 HD23 0.13 -0.02 0.03 -0.04 0.89 1.00 1v8bB1 TYR 444 H 0.16 0.50 -0.24 -0.55 8.29 8.15 1v8bB1 TYR 444 HA -0.00 0.03 0.40 -0.75 4.56 4.24 1v8bB1 TYR 444 HB2 -0.07 0.18 0.12 -0.04 3.06 3.25 1v8bB1 TYR 444 HB3 -0.26 -0.06 -0.01 -0.04 2.98 2.61 1v8bB1 TYR 444 HD2 0.04 -0.05 -0.03 -0.04 7.15 7.07 1v8bB1 TYR 444 HE2 0.21 -0.02 -0.06 -0.04 6.85 6.93 1v8bB1 HIS 445 H 0.32 0.49 -0.36 -0.55 8.41 8.32 1v8bB1 HIS 445 HA 0.05 0.10 0.75 -0.75 4.63 4.78 1v8bB1 HIS 445 HB2 0.23 0.12 0.06 -0.04 3.26 3.63 1v8bB1 HIS 445 HB3 0.07 -0.05 0.11 -0.04 3.20 3.29 1v8bB1 HIS 445 HD2 -1.13 0.05 0.01 -0.04 6.97 5.85 1v8bB1 HIS 445 HE1 -0.26 -0.00 -0.10 -0.04 7.75 7.35 1v8bB1 LEU 446 H 0.20 0.42 -0.17 -0.55 8.37 8.27 1v8bB1 LEU 446 HA 0.16 0.04 0.44 -0.75 4.35 4.23 1v8bB1 LEU 446 HB2 0.14 0.22 0.22 -0.04 1.64 2.18 1v8bB1 LEU 446 HB3 0.10 0.09 0.02 -0.04 1.64 1.81 1v8bB1 LEU 446 HG 0.09 -0.02 -0.02 -0.04 1.64 1.65 1v8bB1 LEU 446 HD13 0.17 0.04 -0.09 -0.04 0.93 1.00 1v8bB1 LEU 446 HD23 0.10 -0.02 -0.02 -0.04 0.89 0.92 1v8bB1 LYS 447 H 0.09 0.23 -0.09 -0.55 8.42 8.10 1v8bB1 LYS 447 HA 0.05 0.07 0.38 -0.75 4.32 4.07 1v8bB1 LYS 447 HB2 0.04 0.02 0.07 -0.04 1.87 1.96 1v8bB1 LYS 447 HB3 0.03 0.02 -0.01 -0.04 1.79 1.79 1v8bB1 LYS 447 HG2 0.04 0.00 0.03 -0.04 1.46 1.49 1v8bB1 LYS 447 HG3 0.06 -0.00 0.07 -0.04 1.46 1.54 1v8bB1 LYS 447 HD2 0.01 0.05 0.03 -0.04 1.69 1.74 1v8bB1 LYS 447 HD3 0.01 -0.00 0.01 -0.04 1.68 1.66 1v8bB1 LYS 447 HE2 0.03 -0.02 0.00 -0.04 2.99 2.96 1v8bB1 LYS 447 HE3 0.05 0.01 0.01 -0.04 2.99 3.03 1v8bB1 LYS 448 H 0.09 0.14 -0.25 -0.55 8.42 7.85 1v8bB1 LYS 448 HA 0.06 0.06 0.39 -0.75 4.32 4.08 1v8bB1 LYS 448 HB2 0.12 -0.02 0.12 -0.04 1.87 2.05 1v8bB1 LYS 448 HB3 0.29 0.10 0.08 -0.04 1.79 2.22 1v8bB1 LYS 448 HG2 0.53 -0.04 0.02 -0.04 1.46 1.93 1v8bB1 LYS 448 HG3 0.12 0.00 -0.11 -0.04 1.46 1.44 1v8bB1 LYS 448 HD2 0.06 -0.02 0.12 -0.04 1.69 1.81 1v8bB1 LYS 448 HD3 0.10 0.05 0.10 -0.04 1.68 1.88 1v8bB1 LYS 448 HE2 0.02 -0.05 0.04 -0.04 2.99 2.96 1v8bB1 LYS 448 HE3 0.05 -0.00 0.03 -0.04 2.99 3.03 1v8bB1 LEU 449 H 0.12 0.27 -0.47 -0.55 8.37 7.75 1v8bB1 LEU 449 HA -0.02 0.11 0.65 -0.75 4.35 4.33 1v8bB1 LEU 449 HB2 0.10 0.07 0.10 -0.04 1.64 1.86 1v8bB1 LEU 449 HB3 0.01 -0.06 0.12 -0.04 1.64 1.66 1v8bB1 LEU 449 HG 0.31 0.08 -0.00 -0.04 1.64 1.99 1v8bB1 LEU 449 HD13 0.24 -0.03 -0.06 -0.04 0.93 1.04 1v8bB1 LEU 449 HD23 -0.27 -0.01 -0.02 -0.04 0.89 0.54 1v8bB1 ASN 450 H 0.04 0.48 -0.36 -0.55 8.53 8.14 1v8bB1 ASN 450 HA 0.02 0.02 0.29 -0.75 4.76 4.34 1v8bB1 ASN 450 HB2 -0.01 0.17 -0.04 -0.04 2.88 2.96 1v8bB1 ASN 450 HB3 0.00 -0.09 0.20 -0.04 2.79 2.86 1v8bB1 ASN 450 HD21 -0.01 -0.02 -0.05 -0.04 7.03 6.90 1v8bB1 ASN 450 HD22 -0.02 0.02 -0.23 -0.04 7.74 7.46 1v8bB1 ALA 451 H 0.04 0.43 -0.18 -0.55 8.40 8.16 1v8bB1 ALA 451 HA 0.02 0.14 0.79 -0.75 4.34 4.53 1v8bB1 ALA 451 HB3 0.04 -0.01 -0.04 -0.04 1.41 1.37 1v8bB1 SER 452 H 0.02 0.20 0.09 -0.55 8.46 8.21 1v8bB1 SER 452 HA 0.03 0.11 0.74 -0.75 4.49 4.61 1v8bB1 SER 452 HB2 0.01 -0.02 0.13 -0.04 3.95 4.03 1v8bB1 SER 452 HB3 0.01 0.05 -0.06 -0.04 3.93 3.89 1v8bB1 LEU 453 H 0.03 0.16 0.12 -0.55 8.37 8.13 1v8bB1 LEU 453 HA 0.01 0.06 0.51 -0.75 4.35 4.17 1v8bB1 LEU 453 HB2 0.05 0.01 0.05 -0.04 1.64 1.71 1v8bB1 LEU 453 HB3 0.04 0.00 -0.02 -0.04 1.64 1.62 1v8bB1 LEU 453 HG -0.03 0.10 0.01 -0.04 1.64 1.68 1v8bB1 LEU 453 HD13 0.01 -0.01 -0.02 -0.04 0.93 0.86 1v8bB1 LEU 453 HD23 0.07 -0.01 -0.04 -0.04 0.89 0.87 1v8bB1 THR 454 H -0.03 0.10 0.14 -0.55 8.28 7.95 1v8bB1 THR 454 HA -0.00 0.15 0.74 -0.75 4.39 4.52 1v8bB1 THR 454 HB -0.04 -0.04 0.06 -0.04 4.32 4.26 1v8bB1 THR 454 HG23 -0.01 0.01 -0.13 -0.04 1.22 1.04 1v8bB1 GLU 455 H 0.01 0.15 0.12 -0.55 8.60 8.33 1v8bB1 GLU 455 HA 0.03 0.13 0.67 -0.75 4.29 4.37 1v8bB1 GLU 455 HB2 0.02 -0.04 0.13 -0.04 2.09 2.16 1v8bB1 GLU 455 HB3 0.03 0.06 -0.10 -0.04 1.99 1.94 1v8bB1 GLU 455 HG2 0.04 0.02 -0.08 -0.04 2.34 2.28 1v8bB1 GLU 455 HG3 0.03 -0.01 -0.01 -0.04 2.34 2.31 1v8bB1 LEU 456 H 0.05 0.21 0.16 -0.55 8.37 8.24 1v8bB1 LEU 456 HA 0.02 -0.00 0.43 -0.75 4.35 4.04 1v8bB1 LEU 456 HB2 0.09 0.07 0.11 -0.04 1.64 1.87 1v8bB1 LEU 456 HB3 0.11 -0.01 -0.01 -0.04 1.64 1.70 1v8bB1 LEU 456 HG 0.08 -0.07 -0.19 -0.04 1.64 1.43 1v8bB1 LEU 456 HD13 0.00 -0.00 -0.05 -0.04 0.93 0.84 1v8bB1 LEU 456 HD23 0.19 0.02 -0.16 -0.04 0.89 0.89 1v8bB1 ASP 457 H 0.03 0.06 0.17 -0.55 8.40 8.10 1v8bB1 ASP 457 HA 0.03 0.21 0.56 -0.75 4.63 4.68 1v8bB1 ASP 457 HB2 0.01 0.15 0.15 -0.04 2.71 2.98 1v8bB1 ASP 457 HB3 0.02 -0.21 0.08 -0.04 2.70 2.55 1v8bB1 ASP 458 H 0.02 0.19 0.17 -0.55 8.40 8.24 1v8bB1 ASP 458 HA 0.04 0.15 0.44 -0.75 4.63 4.50 1v8bB1 ASP 458 HB2 0.02 -0.04 0.17 -0.04 2.71 2.82 1v8bB1 ASP 458 HB3 0.02 0.06 0.01 -0.04 2.70 2.75 1v8bB1 ASN 459 H 0.02 0.10 -0.01 -0.55 8.53 8.10 1v8bB1 ASN 459 HA 0.04 0.14 0.46 -0.75 4.76 4.64 1v8bB1 ASN 459 HB2 0.00 -0.04 0.07 -0.04 2.88 2.87 1v8bB1 ASN 459 HB3 0.01 0.08 0.02 -0.04 2.79 2.85 1v8bB1 ASN 459 HD21 0.00 0.06 0.04 -0.04 7.03 7.09 1v8bB1 ASN 459 HD22 -0.00 -0.01 0.05 -0.04 7.74 7.74 1v8bB1 GLN 460 H 0.04 -0.01 -0.30 -0.55 8.47 7.65 1v8bB1 GLN 460 HA 0.10 0.08 0.36 -0.75 4.36 4.15 1v8bB1 GLN 460 HB2 0.05 -0.02 0.08 -0.04 2.15 2.21 1v8bB1 GLN 460 HB3 0.06 0.07 0.00 -0.04 2.02 2.12 1v8bB1 GLN 460 HG2 -0.00 0.08 0.02 -0.04 2.40 2.46 1v8bB1 GLN 460 HG3 0.00 -0.09 0.03 -0.04 2.39 2.30 1v8bB1 GLN 460 HE21 -0.01 0.06 0.01 -0.04 6.97 6.99 1v8bB1 GLN 460 HE22 -0.02 0.03 0.01 -0.04 7.69 7.66 1v8bB1 CYS 461 H 0.07 0.40 -0.36 -0.55 8.50 8.06 1v8bB1 CYS 461 HA 0.09 0.03 0.36 -0.75 4.58 4.31 1v8bB1 CYS 461 HB2 0.05 0.09 0.15 -0.04 2.97 3.22 1v8bB1 CYS 461 HB3 0.05 0.11 -0.00 -0.04 2.97 3.09 1v8bB1 GLN 462 H 0.07 0.37 -0.10 -0.55 8.47 8.27 1v8bB1 GLN 462 HA 0.04 0.06 0.43 -0.75 4.36 4.13 1v8bB1 GLN 462 HB2 0.05 0.00 0.14 -0.04 2.15 2.30 1v8bB1 GLN 462 HB3 0.08 0.05 0.14 -0.04 2.02 2.26 1v8bB1 GLN 462 HG2 0.04 0.03 -0.08 -0.04 2.40 2.35 1v8bB1 GLN 462 HG3 0.03 -0.02 0.04 -0.04 2.39 2.40 1v8bB1 GLN 462 HE21 0.04 -0.02 -0.02 -0.04 6.97 6.93 1v8bB1 GLN 462 HE22 0.05 0.03 -0.06 -0.04 7.69 7.66 1v8bB1 PHE 463 H 0.21 0.47 -0.14 -0.55 8.34 8.33 1v8bB1 PHE 463 HA 0.01 0.03 0.37 -0.75 4.62 4.28 1v8bB1 PHE 463 HB2 0.01 -0.00 0.08 -0.04 3.15 3.19 1v8bB1 PHE 463 HB3 0.01 0.02 0.11 -0.04 3.06 3.17 1v8bB1 PHE 463 HD2 0.01 -0.00 -0.06 -0.04 7.28 7.19 1v8bB1 PHE 463 HE2 0.00 -0.02 -0.03 -0.04 7.38 7.30 1v8bB1 PHE 463 HZ 0.00 -0.02 -0.02 -0.04 7.32 7.24 1v8bB1 LEU 464 H 0.15 0.47 -0.13 -0.55 8.37 8.31 1v8bB1 LEU 464 HA -0.12 0.04 0.50 -0.75 4.35 4.01 1v8bB1 LEU 464 HB2 0.09 0.05 0.08 -0.04 1.64 1.82 1v8bB1 LEU 464 HB3 0.04 -0.02 0.02 -0.04 1.64 1.64 1v8bB1 LEU 464 HG 0.21 0.03 0.06 -0.04 1.64 1.90 1v8bB1 LEU 464 HD13 0.09 -0.02 -0.03 -0.04 0.93 0.92 1v8bB1 LEU 464 HD23 0.08 -0.01 -0.00 -0.04 0.89 0.92 1v8bB1 GLY 465 H 0.01 0.24 -0.51 -0.55 8.43 7.63 1v8bB1 GLY 465 HA2 -0.01 0.01 0.31 -0.51 4.01 3.81 1v8bB1 GLY 465 HA3 -0.04 0.00 0.43 -0.51 4.01 3.89 1v8bB1 VAL 466 H 0.03 0.40 0.07 -0.55 8.24 8.20 1v8bB1 VAL 466 HA -0.02 0.17 0.80 -0.75 4.13 4.32 1v8bB1 VAL 466 HB -0.03 0.07 0.10 -0.04 2.12 2.22 1v8bB1 VAL 466 HG13 0.02 0.04 -0.31 -0.04 0.97 0.67 1v8bB1 VAL 466 HG23 0.16 -0.03 -0.22 -0.04 0.95 0.82 1v8bB1 ASN 467 H -0.07 0.20 0.07 -0.55 8.53 8.19 1v8bB1 ASN 467 HA -0.00 0.13 0.62 -0.75 4.76 4.75 1v8bB1 ASN 467 HB2 -0.05 0.07 0.07 -0.04 2.88 2.92 1v8bB1 ASN 467 HB3 -0.10 0.11 0.07 -0.04 2.79 2.83 1v8bB1 ASN 467 HD21 -0.02 0.02 0.02 -0.04 7.03 7.01 1v8bB1 ASN 467 HD22 -0.02 0.05 0.01 -0.04 7.74 7.73 1v8bB1 LYS 468 H 0.03 0.18 0.14 -0.55 8.42 8.21 1v8bB1 LYS 468 HA 0.16 0.08 0.32 -0.75 4.32 4.13 1v8bB1 LYS 468 HB2 0.06 0.01 0.10 -0.04 1.87 2.00 1v8bB1 LYS 468 HB3 0.05 0.00 0.04 -0.04 1.79 1.84 1v8bB1 LYS 468 HG2 0.09 -0.01 0.03 -0.04 1.46 1.53 1v8bB1 LYS 468 HG3 0.10 0.01 0.12 -0.04 1.46 1.65 1v8bB1 LYS 468 HD2 0.05 -0.03 -0.01 -0.04 1.69 1.65 1v8bB1 LYS 468 HD3 0.05 0.02 0.01 -0.04 1.68 1.72 1v8bB1 LYS 468 HE2 0.05 0.17 -0.15 -0.04 2.99 3.02 1v8bB1 LYS 468 HE3 0.04 -0.05 -0.04 -0.04 2.99 2.90 1v8bB1 SER 469 H -0.03 -0.01 -0.53 -0.55 8.46 7.34 1v8bB1 SER 469 HA 0.10 0.20 0.80 -0.75 4.49 4.83 1v8bB1 SER 469 HB2 -0.04 0.05 -0.04 -0.04 3.95 3.88 1v8bB1 SER 469 HB3 0.01 0.01 0.07 -0.04 3.93 3.97 1v8bB1 GLY 470 H -0.35 0.32 -0.24 -0.55 8.43 7.61 1v8bB1 GLY 470 HA2 -1.26 0.13 -0.08 -0.51 4.01 2.29 1v8bB1 GLY 470 HA3 -0.84 0.09 0.61 -0.51 4.01 3.36 1v8bB1 PRO 471 HA -0.25 0.03 0.36 -0.51 4.44 4.07 1v8bB1 PRO 471 HB2 -0.05 0.16 0.03 -0.04 2.28 2.38 1v8bB1 PRO 471 HB3 -0.01 -0.03 0.07 -0.04 2.02 2.01 1v8bB1 PRO 471 HG2 0.00 -0.01 0.09 -0.04 2.03 2.07 1v8bB1 PRO 471 HG3 0.00 -0.06 -0.05 -0.04 2.03 1.88 1v8bB1 PRO 471 HD2 -0.08 0.10 0.28 -0.04 3.68 3.94 1v8bB1 PRO 471 HD3 -0.07 0.16 0.30 -0.04 3.65 4.00 1v8bB1 PHE 472 H 0.03 0.07 0.15 -0.55 8.34 8.04 1v8bB1 PHE 472 HA -0.02 0.27 0.85 -0.75 4.62 4.96 1v8bB1 PHE 472 HB2 -0.01 -0.04 0.03 -0.04 3.15 3.09 1v8bB1 PHE 472 HB3 -0.03 0.04 0.07 -0.04 3.06 3.10 1v8bB1 PHE 472 HD2 0.03 -0.01 -0.05 -0.04 7.28 7.21 1v8bB1 PHE 472 HE2 0.04 0.04 -0.14 -0.04 7.38 7.28 1v8bB1 PHE 472 HZ 0.03 0.14 -0.23 -0.04 7.32 7.22 1v8bB1 LYS 473 H 0.04 -0.01 0.06 -0.55 8.42 7.95 1v8bB1 LYS 473 HA -0.17 0.26 0.91 -0.75 4.32 4.56 1v8bB1 LYS 473 HB2 -0.06 -0.01 0.01 -0.04 1.87 1.77 1v8bB1 LYS 473 HB3 -0.45 -0.03 0.13 -0.04 1.79 1.39 1v8bB1 LYS 473 HG2 -0.12 -0.11 -0.25 -0.04 1.46 0.93 1v8bB1 LYS 473 HG3 -0.74 -0.02 -0.06 -0.04 1.46 0.60 1v8bB1 LYS 473 HD2 -1.81 -0.05 0.02 -0.04 1.69 -0.19 1v8bB1 LYS 473 HD3 -0.45 0.23 -0.07 -0.04 1.68 1.35 1v8bB1 LYS 473 HE2 -0.73 -0.06 -0.04 -0.04 2.99 2.12 1v8bB1 LYS 473 HE3 -0.48 0.04 -0.03 -0.04 2.99 2.48 1v8bB1 SER 474 H -0.04 0.09 0.15 -0.55 8.46 8.12 1v8bB1 SER 474 HA 0.01 0.21 0.61 -0.75 4.49 4.57 1v8bB1 SER 474 HB2 0.02 0.02 0.16 -0.04 3.95 4.11 1v8bB1 SER 474 HB3 0.01 0.14 0.10 -0.04 3.93 4.14 1v8bB1 ASN 475 H 0.04 0.20 0.18 -0.55 8.53 8.40 1v8bB1 ASN 475 HA 0.08 0.09 0.43 -0.75 4.76 4.61 1v8bB1 ASN 475 HB2 0.04 0.00 0.13 -0.04 2.88 3.01 1v8bB1 ASN 475 HB3 0.05 0.05 0.07 -0.04 2.79 2.92 1v8bB1 ASN 475 HD21 0.03 0.02 0.07 -0.04 7.03 7.11 1v8bB1 ASN 475 HD22 0.03 0.02 0.09 -0.04 7.74 7.84 1v8bB1 GLU 476 H 0.05 0.00 -0.28 -0.55 8.60 7.83 1v8bB1 GLU 476 HA 0.03 0.18 0.54 -0.75 4.29 4.29 1v8bB1 GLU 476 HB2 0.03 -0.03 -0.01 -0.04 2.09 2.05 1v8bB1 GLU 476 HB3 0.01 0.02 0.07 -0.04 1.99 2.06 1v8bB1 GLU 476 HG2 0.01 0.04 0.00 -0.04 2.34 2.35 1v8bB1 GLU 476 HG3 0.02 0.05 -0.03 -0.04 2.34 2.33 1v8bB1 TYR 477 H 0.14 0.30 -0.43 -0.55 8.29 7.75 1v8bB1 TYR 477 HA -0.10 -0.00 0.41 -0.75 4.56 4.11 1v8bB1 TYR 477 HB2 -0.14 -0.10 0.14 -0.04 3.06 2.92 1v8bB1 TYR 477 HB3 -0.31 0.06 0.05 -0.04 2.98 2.74 1v8bB1 TYR 477 HD2 -1.10 0.03 -0.05 -0.04 7.15 5.99 1v8bB1 TYR 477 HE2 -0.29 0.03 0.00 -0.04 6.85 6.56 1v8bB1 ARG 478 H -0.62 0.10 0.18 -0.55 8.46 7.57 1v8bB1 ARG 478 HA -0.04 0.18 0.68 -0.75 4.34 4.40 1v8bB1 ARG 478 HB2 -0.25 0.04 0.05 -0.04 1.90 1.70 1v8bB1 ARG 478 HB3 -0.10 -0.03 0.11 -0.04 1.80 1.74 1v8bB1 ARG 478 HG2 -0.08 0.09 -0.04 -0.04 1.67 1.60 1v8bB1 ARG 478 HG3 -0.15 0.00 0.09 -0.04 1.67 1.57 1v8bB1 ARG 478 HD2 -0.08 -0.00 0.01 -0.04 3.22 3.11 1v8bB1 ARG 478 HD3 -0.06 -0.05 0.02 -0.04 3.22 3.10 1v8bB1 TYR 479 H -1.23 -0.03 -0.21 -0.55 8.29 6.27 1v8bB1 TYR 479 HA 0.09 0.05 0.13 -0.75 4.56 4.07 1v8bB1 TYR 479 HB2 0.01 0.15 -0.22 -0.04 3.06 2.96 1v8bB1 TYR 479 HB3 0.09 0.02 0.02 -0.04 2.98 3.06 1v8bB1 TYR 479 HD2 0.16 0.08 -0.19 -0.04 7.15 7.16 1v8bB1 TYR 479 HE2 0.13 0.04 -0.06 -0.04 6.85 6.91