============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 76 rings ring int. center anis. iso. PHE 20 1.000 -10.433 13.405 46.576 -99.200 -91.000 PHE 31 1.000 -0.220 4.594 49.221 -99.200 -91.000 PHE 44 1.000 12.937 -11.576 52.735 -99.200 -91.000 HIS 55 0.900 -16.037 -3.502 38.649 -99.200 -91.000 HIS 64 0.900 9.955 -7.162 40.427 -99.200 -91.000 TRP 65 1.040 8.423 -10.646 45.600 -99.200 -91.000 TRP6 65 1.020 6.948 -9.990 47.340 -99.200 -91.000 HIS 66 0.900 12.634 -2.284 41.263 -99.200 -91.000 PHE 68 1.000 14.991 -8.265 47.379 -99.200 -91.000 PHE 69 1.000 21.110 -9.678 42.079 -99.200 -91.000 TRP 75 1.040 9.285 -20.398 41.264 -99.200 -91.000 TRP6 75 1.020 8.028 -19.835 43.194 -99.200 -91.000 PHE 81 1.000 -1.349 -12.082 32.070 -99.200 -91.000 PHE 93 1.000 2.287 -18.138 43.736 -99.200 -91.000 TYR 95 0.840 4.566 -13.824 44.838 -99.200 -91.000 PHE 97 1.000 11.571 -13.458 47.542 -99.200 -91.000 PHE 106 1.000 17.344 -4.718 47.493 -99.200 -91.000 TRP 107 1.040 10.518 -0.255 44.536 -99.200 -91.000 TRP6 107 1.020 8.456 0.438 43.602 -99.200 -91.000 TYR 108 0.840 5.818 -4.958 49.590 -99.200 -91.000 HIS 109 0.900 6.712 -2.815 41.396 -99.200 -91.000 HIS 111 0.900 6.156 -5.837 36.783 -99.200 -91.000 TYR 116 0.840 4.112 0.841 40.429 -99.200 -91.000 PHE 124 1.000 11.608 -7.445 50.619 -99.200 -91.000 TYR 127 0.840 17.383 -3.456 58.291 -99.200 -91.000 HIS 133 0.900 29.118 2.420 53.117 -99.200 -91.000 TYR 137 0.840 24.400 3.183 59.187 -99.200 -91.000 TRP 151 1.040 -3.168 9.331 46.620 -99.200 -91.000 TRP6 151 1.020 -3.069 6.961 46.581 -99.200 -91.000 TYR 152 0.840 -0.953 9.741 39.587 -99.200 -91.000 HIS 153 0.900 -6.662 14.358 44.776 -99.200 -91.000 PHE 162 1.000 0.480 7.381 27.386 -99.200 -91.000 TYR 196 0.840 18.846 9.838 63.199 -99.200 -91.000 PHE 198 1.000 16.788 9.978 57.995 -99.200 -91.000 TYR 209 0.840 8.520 12.367 43.592 -99.200 -91.000 PHE 211 1.000 14.822 13.447 50.266 -99.200 -91.000 HIS 216 0.900 19.561 18.883 58.908 -99.200 -91.000 PHE 239 1.000 15.991 10.267 36.873 -99.200 -91.000 TYR 244 0.840 20.255 7.491 44.702 -99.200 -91.000 PHE 246 1.000 19.132 10.861 52.901 -99.200 -91.000 TYR 257 0.840 16.617 22.117 60.773 -99.200 -91.000 TRP 258 1.040 9.649 23.875 54.972 -99.200 -91.000 TRP6 258 1.020 7.490 22.943 55.298 -99.200 -91.000 PHE 265 1.000 5.221 14.490 34.883 -99.200 -91.000 PHE 270 1.000 9.835 22.559 47.280 -99.200 -91.000 TYR 281 0.840 17.751 18.428 64.549 -99.200 -91.000 HIS 305 0.900 32.729 6.382 40.813 -99.200 -91.000 PHE 329 1.000 14.054 4.004 24.449 -99.200 -91.000 PHE 331 1.000 3.380 7.664 22.392 -99.200 -91.000 PHE 336 1.000 5.790 5.282 25.363 -99.200 -91.000 PHE 337 1.000 4.833 0.680 18.202 -99.200 -91.000 PHE 343 1.000 5.895 -7.851 26.812 -99.200 -91.000 TYR 371 0.840 15.241 -8.047 21.773 -99.200 -91.000 PHE 383 1.000 18.458 0.404 27.877 -99.200 -91.000 HIS 394 0.900 10.459 7.429 28.059 -99.200 -91.000 PHE 396 1.000 13.479 1.509 28.889 -99.200 -91.000 HIS 397 0.900 13.857 -3.004 37.468 -99.200 -91.000 HIS 399 0.900 11.447 -7.234 36.593 -99.200 -91.000 HIS 401 0.900 21.097 -10.340 35.021 -99.200 -91.000 PHE 403 1.000 21.018 -1.494 34.885 -99.200 -91.000 TYR 414 0.840 30.342 5.524 25.743 -99.200 -91.000 TYR 416 0.840 34.072 1.010 28.318 -99.200 -91.000 TRP 421 1.040 28.604 -2.904 38.614 -99.200 -91.000 TRP6 421 1.020 28.031 -4.765 37.283 -99.200 -91.000 PHE 440 1.000 22.517 -7.789 31.240 -99.200 -91.000 TRP 448 1.040 16.138 -12.987 34.354 -99.200 -91.000 TRP6 448 1.020 15.162 -13.488 36.459 -99.200 -91.000 PHE 449 1.000 7.916 -6.977 31.428 -99.200 -91.000 HIS 451 0.900 9.400 -2.612 33.527 -99.200 -91.000 HIS 453 0.900 9.392 0.476 38.095 -99.200 -91.000 PHE 456 1.000 0.287 6.430 34.973 -99.200 -91.000 HIS 457 0.900 6.008 6.741 29.722 -99.200 -91.000 PHE 462 1.000 9.613 3.090 25.995 -99.200 -91.000 TRP 483 1.040 4.604 -20.050 38.488 -99.200 -91.000 TRP6 483 1.020 4.775 -21.228 36.428 -99.200 -91.000 TYR 490 0.840 -5.809 -14.188 34.698 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2qt6A1 ALA 1 HA 0.03 0.13 0.27 -0.75 4.34 4.01 2qt6A1 ALA 1 HB3 0.04 -0.05 -0.05 -0.04 1.41 1.30 2qt6A1 VAL 2 H -0.01 0.56 0.31 -0.55 8.24 8.55 2qt6A1 VAL 2 HA -0.01 0.17 0.88 -0.75 4.13 4.41 2qt6A1 VAL 2 HB -0.01 -0.09 0.08 -0.04 2.12 2.05 2qt6A1 VAL 2 HG13 0.02 0.01 -0.18 -0.04 0.97 0.78 2qt6A1 VAL 2 HG23 -0.01 0.02 -0.21 -0.04 0.95 0.71 2qt6A1 GLY 3 H -0.04 0.14 0.06 -0.55 8.43 8.04 2qt6A1 GLY 3 HA2 -0.08 -0.10 -0.03 -0.51 4.01 3.29 2qt6A1 GLY 3 HA3 -0.05 0.22 0.68 -0.51 4.01 4.35 2qt6A1 PRO 4 HA -0.15 0.10 0.34 -0.51 4.44 4.22 2qt6A1 PRO 4 HB2 -0.79 0.21 -0.01 -0.04 2.28 1.65 2qt6A1 PRO 4 HB3 -1.36 -0.02 0.04 -0.04 2.02 0.64 2qt6A1 PRO 4 HG2 -0.30 0.02 0.10 -0.04 2.03 1.81 2qt6A1 PRO 4 HG3 -0.38 -0.06 0.11 -0.04 2.03 1.66 2qt6A1 PRO 4 HD2 -0.15 0.08 0.37 -0.04 3.68 3.94 2qt6A1 PRO 4 HD3 -0.18 0.08 0.25 -0.04 3.65 3.76 2qt6A1 VAL 5 H -0.14 0.24 -0.00 -0.55 8.24 7.78 2qt6A1 VAL 5 HA -0.12 0.29 1.01 -0.75 4.13 4.56 2qt6A1 VAL 5 HB -0.09 -0.02 0.16 -0.04 2.12 2.12 2qt6A1 VAL 5 HG13 -0.06 -0.00 -0.04 -0.04 0.97 0.83 2qt6A1 VAL 5 HG23 -0.15 -0.00 -0.02 -0.04 0.95 0.74 2qt6A1 ALA 6 H -0.05 0.68 0.34 -0.55 8.40 8.83 2qt6A1 ALA 6 HA -0.02 0.07 0.67 -0.75 4.34 4.31 2qt6A1 ALA 6 HB3 -0.02 0.02 -0.19 -0.04 1.41 1.19 2qt6A1 ASP 7 H 0.02 0.16 0.17 -0.55 8.40 8.20 2qt6A1 ASP 7 HA 0.07 0.20 0.93 -0.75 4.63 5.08 2qt6A1 ASP 7 HB2 0.04 -0.02 0.14 -0.04 2.71 2.84 2qt6A1 ASP 7 HB3 0.07 0.01 -0.06 -0.04 2.70 2.68 2qt6A1 LEU 8 H 0.14 0.74 0.19 -0.55 8.37 8.89 2qt6A1 LEU 8 HA 0.13 0.16 0.84 -0.75 4.35 4.72 2qt6A1 LEU 8 HB2 0.24 -0.04 0.04 -0.04 1.64 1.83 2qt6A1 LEU 8 HB3 0.23 0.01 -0.10 -0.04 1.64 1.74 2qt6A1 LEU 8 HG 0.12 -0.05 -0.41 -0.04 1.64 1.25 2qt6A1 LEU 8 HD13 0.27 0.01 -0.22 -0.04 0.93 0.95 2qt6A1 LEU 8 HD23 0.10 0.04 -0.21 -0.04 0.89 0.78 2qt6A1 THR 9 H 0.11 0.17 0.11 -0.55 8.28 8.12 2qt6A1 THR 9 HA 0.12 0.29 0.84 -0.75 4.39 4.89 2qt6A1 THR 9 HB 0.09 -0.08 0.14 -0.04 4.32 4.42 2qt6A1 THR 9 HG23 0.08 0.02 -0.15 -0.04 1.22 1.13 2qt6A1 VAL 10 H 0.13 0.71 0.42 -0.55 8.24 8.94 2qt6A1 VAL 10 HA 0.13 0.29 0.84 -0.75 4.13 4.64 2qt6A1 VAL 10 HB 0.13 -0.11 0.16 -0.04 2.12 2.26 2qt6A1 VAL 10 HG13 0.13 0.02 -0.13 -0.04 0.97 0.94 2qt6A1 VAL 10 HG23 0.17 0.02 -0.17 -0.04 0.95 0.93 2qt6A1 THR 11 H 0.11 0.65 0.35 -0.55 8.28 8.84 2qt6A1 THR 11 HA 0.08 0.14 0.70 -0.75 4.39 4.56 2qt6A1 THR 11 HB 0.07 0.07 0.09 -0.04 4.32 4.51 2qt6A1 THR 11 HG23 0.07 -0.00 -0.28 -0.04 1.22 0.97 2qt6A1 ASN 12 H 0.07 0.13 0.20 -0.55 8.53 8.39 2qt6A1 ASN 12 HA 0.08 0.38 1.20 -0.75 4.76 5.66 2qt6A1 ASN 12 HB2 0.05 -0.06 0.16 -0.04 2.88 3.00 2qt6A1 ASN 12 HB3 0.05 0.05 0.13 -0.04 2.79 2.99 2qt6A1 ASN 12 HD21 0.06 0.07 -0.07 -0.04 7.03 7.05 2qt6A1 ASN 12 HD22 0.07 0.32 -0.00 -0.04 7.74 8.08 2qt6A1 ALA 13 H 0.08 0.61 0.27 -0.55 8.40 8.80 2qt6A1 ALA 13 HA 0.05 0.06 0.53 -0.75 4.34 4.22 2qt6A1 ALA 13 HB3 0.06 0.04 -0.16 -0.04 1.41 1.31 2qt6A1 ASN 14 H 0.03 0.14 0.12 -0.55 8.53 8.28 2qt6A1 ASN 14 HA 0.04 0.26 0.82 -0.75 4.76 5.13 2qt6A1 ASN 14 HB2 0.00 -0.01 0.11 -0.04 2.88 2.94 2qt6A1 ASN 14 HB3 -0.02 0.02 -0.09 -0.04 2.79 2.67 2qt6A1 ASN 14 HD21 0.01 -0.01 -0.04 -0.04 7.03 6.95 2qt6A1 ASN 14 HD22 0.00 0.02 -0.01 -0.04 7.74 7.72 2qt6A1 ILE 15 H 0.06 0.68 0.35 -0.55 8.25 8.80 2qt6A1 ILE 15 HA 0.01 0.17 0.88 -0.75 4.18 4.49 2qt6A1 ILE 15 HB -0.02 -0.03 0.04 -0.04 1.89 1.84 2qt6A1 ILE 15 HG12 0.12 0.08 -0.00 -0.04 1.49 1.65 2qt6A1 ILE 15 HG13 0.05 -0.03 -0.17 -0.04 1.21 1.02 2qt6A1 ILE 15 HG23 0.05 0.00 -0.35 -0.04 0.93 0.60 2qt6A1 ILE 15 HD13 -0.19 0.02 -0.09 -0.04 0.88 0.58 2qt6A1 VAL 16 H -0.02 0.19 0.02 -0.55 8.24 7.88 2qt6A1 VAL 16 HA 0.03 0.50 0.89 -0.75 4.13 4.79 2qt6A1 VAL 16 HB 0.00 -0.15 -0.08 -0.04 2.12 1.85 2qt6A1 VAL 16 HG13 -0.06 -0.01 -0.51 -0.04 0.97 0.35 2qt6A1 VAL 16 HG23 -0.01 0.02 -0.00 -0.04 0.95 0.91 2qt6A1 PRO 17 HA -0.08 0.15 0.41 -0.51 4.44 4.41 2qt6A1 PRO 17 HB2 -0.28 0.05 -0.07 -0.04 2.28 1.93 2qt6A1 PRO 17 HB3 -0.21 0.11 0.12 -0.04 2.02 2.00 2qt6A1 PRO 17 HG2 -0.91 -0.05 -0.07 -0.04 2.03 0.96 2qt6A1 PRO 17 HG3 -1.72 0.07 -0.05 -0.04 2.03 0.29 2qt6A1 PRO 17 HD2 -0.04 0.23 -0.02 -0.04 3.68 3.80 2qt6A1 PRO 17 HD3 -0.25 0.06 -0.10 -0.04 3.65 3.33 2qt6A1 ASP 18 H 0.04 0.03 -0.31 -0.55 8.40 7.62 2qt6A1 ASP 18 HA 0.05 0.56 1.02 -0.75 4.63 5.50 2qt6A1 ASP 18 HB2 0.16 -0.10 0.07 -0.04 2.71 2.80 2qt6A1 ASP 18 HB3 0.13 0.00 -0.24 -0.04 2.70 2.55 2qt6A1 GLY 19 H 0.05 0.47 -0.26 -0.55 8.43 8.14 2qt6A1 GLY 19 HA2 0.04 0.05 0.32 -0.51 4.01 3.91 2qt6A1 GLY 19 HA3 0.07 0.10 0.48 -0.51 4.01 4.15 2qt6A1 PHE 20 H 0.20 0.02 -0.45 -0.55 8.34 7.56 2qt6A1 PHE 20 HA -0.04 0.17 0.85 -0.75 4.62 4.84 2qt6A1 PHE 20 HB2 -0.17 0.02 -0.08 -0.04 3.15 2.88 2qt6A1 PHE 20 HB3 -0.26 -0.06 -0.05 -0.04 3.06 2.66 2qt6A1 PHE 20 HD2 -0.23 -0.02 -0.11 -0.04 7.28 6.89 2qt6A1 PHE 20 HE2 -0.06 0.04 0.01 -0.04 7.38 7.33 2qt6A1 PHE 20 HZ -0.04 -0.04 0.02 -0.04 7.32 7.22 2qt6A1 GLU 21 H -0.65 0.12 0.09 -0.55 8.60 7.62 2qt6A1 GLU 21 HA -0.15 0.33 0.62 -0.75 4.29 4.34 2qt6A1 GLU 21 HB2 -0.16 -0.01 -0.04 -0.04 2.09 1.83 2qt6A1 GLU 21 HB3 -0.28 -0.05 0.06 -0.04 1.99 1.68 2qt6A1 GLU 21 HG2 -0.11 -0.04 -0.27 -0.04 2.34 1.88 2qt6A1 GLU 21 HG3 -0.07 0.06 -0.23 -0.04 2.34 2.05 2qt6A1 ARG 22 H 0.00 0.71 0.43 -0.55 8.46 9.05 2qt6A1 ARG 22 HA -0.07 0.03 0.55 -0.75 4.34 4.09 2qt6A1 ARG 22 HB2 0.10 -0.01 0.16 -0.04 1.90 2.10 2qt6A1 ARG 22 HB3 0.17 0.05 -0.01 -0.04 1.80 1.96 2qt6A1 ARG 22 HG2 0.50 -0.02 -0.06 -0.04 1.67 2.05 2qt6A1 ARG 22 HG3 0.36 -0.02 -0.14 -0.04 1.67 1.82 2qt6A1 ARG 22 HD2 0.06 0.03 -0.04 -0.04 3.22 3.22 2qt6A1 ARG 22 HD3 -0.26 -0.00 -0.03 -0.04 3.22 2.89 2qt6A1 ALA 23 H 0.02 0.08 0.17 -0.55 8.40 8.12 2qt6A1 ALA 23 HA 0.05 0.11 0.66 -0.75 4.34 4.40 2qt6A1 ALA 23 HB3 0.02 -0.02 0.08 -0.04 1.41 1.45 2qt6A1 ALA 24 H 0.08 0.39 0.40 -0.55 8.40 8.72 2qt6A1 ALA 24 HA 0.10 0.13 0.85 -0.75 4.34 4.66 2qt6A1 ALA 24 HB3 0.26 0.05 -0.01 -0.04 1.41 1.67 2qt6A1 ILE 25 H 0.15 0.76 0.36 -0.55 8.25 8.97 2qt6A1 ILE 25 HA 0.11 0.18 1.05 -0.75 4.18 4.77 2qt6A1 ILE 25 HB 0.15 -0.08 -0.10 -0.04 1.89 1.82 2qt6A1 ILE 25 HG12 0.09 -0.02 -0.07 -0.04 1.49 1.45 2qt6A1 ILE 25 HG13 0.08 -0.09 -0.16 -0.04 1.21 1.00 2qt6A1 ILE 25 HG23 0.14 -0.00 -0.19 -0.04 0.93 0.83 2qt6A1 ILE 25 HD13 0.09 0.05 -0.02 -0.04 0.88 0.96 2qt6A1 VAL 26 H 0.13 0.60 0.25 -0.55 8.24 8.67 2qt6A1 VAL 26 HA 0.20 0.34 0.71 -0.75 4.13 4.62 2qt6A1 VAL 26 HB 0.13 0.03 -0.35 -0.04 2.12 1.89 2qt6A1 VAL 26 HG13 0.15 0.01 -0.50 -0.04 0.97 0.59 2qt6A1 VAL 26 HG23 0.10 -0.03 -0.32 -0.04 0.95 0.66 2qt6A1 VAL 27 H 0.14 0.68 0.18 -0.55 8.24 8.70 2qt6A1 VAL 27 HA 0.14 0.27 0.89 -0.75 4.13 4.68 2qt6A1 VAL 27 HB 0.17 0.05 0.12 -0.04 2.12 2.43 2qt6A1 VAL 27 HG13 0.24 -0.00 -0.20 -0.04 0.97 0.96 2qt6A1 VAL 27 HG23 0.18 0.00 -0.25 -0.04 0.95 0.85 2qt6A1 ASN 28 H 0.11 0.57 0.28 -0.55 8.53 8.94 2qt6A1 ASN 28 HA 0.08 -0.01 0.38 -0.75 4.76 4.46 2qt6A1 ASN 28 HB2 0.09 0.16 -0.02 -0.04 2.88 3.07 2qt6A1 ASN 28 HB3 0.07 0.02 0.23 -0.04 2.79 3.06 2qt6A1 ASN 28 HD21 0.07 0.19 0.11 -0.04 7.03 7.36 2qt6A1 ASN 28 HD22 0.07 0.04 0.01 -0.04 7.74 7.81 2qt6A1 ASN 29 H 0.09 0.06 -0.50 -0.55 8.53 7.64 2qt6A1 ASN 29 HA 0.07 -0.05 0.09 -0.75 4.76 4.13 2qt6A1 ASN 29 HB2 0.05 0.28 -0.19 -0.04 2.88 2.98 2qt6A1 ASN 29 HB3 0.05 -0.03 0.08 -0.04 2.79 2.85 2qt6A1 ASN 29 HD21 0.05 -0.04 -0.12 -0.04 7.03 6.88 2qt6A1 ASN 29 HD22 0.04 0.11 -0.21 -0.04 7.74 7.64 2qt6A1 VAL 30 H 0.09 0.46 -0.41 -0.55 8.24 7.83 2qt6A1 VAL 30 HA 0.07 0.17 1.06 -0.75 4.13 4.68 2qt6A1 VAL 30 HB 0.02 0.08 -0.05 -0.04 2.12 2.13 2qt6A1 VAL 30 HG13 0.03 -0.01 -0.16 -0.04 0.97 0.80 2qt6A1 VAL 30 HG23 0.05 0.03 -0.04 -0.04 0.95 0.95 2qt6A1 PHE 31 H 0.10 0.23 0.14 -0.55 8.34 8.25 2qt6A1 PHE 31 HA 0.01 0.08 0.51 -0.75 4.62 4.46 2qt6A1 PHE 31 HB2 -0.00 0.06 0.02 -0.04 3.15 3.19 2qt6A1 PHE 31 HB3 -0.13 -0.07 0.08 -0.04 3.06 2.89 2qt6A1 PHE 31 HD2 -0.16 0.14 0.05 -0.04 7.28 7.27 2qt6A1 PHE 31 HE2 -0.12 -0.03 -0.04 -0.04 7.38 7.15 2qt6A1 PHE 31 HZ 0.18 -0.05 -0.07 -0.04 7.32 7.34 2qt6A1 PRO 32 HA -0.98 0.14 0.46 -0.51 4.44 3.55 2qt6A1 PRO 32 HB2 -0.27 0.08 0.02 -0.04 2.28 2.07 2qt6A1 PRO 32 HB3 -0.38 0.10 0.20 -0.04 2.02 1.89 2qt6A1 PRO 32 HG2 -0.36 -0.10 -0.01 -0.04 2.03 1.53 2qt6A1 PRO 32 HG3 -0.91 -0.00 0.01 -0.04 2.03 1.09 2qt6A1 PRO 32 HD2 -0.31 0.09 0.17 -0.04 3.68 3.59 2qt6A1 PRO 32 HD3 -0.53 0.07 0.18 -0.04 3.65 3.33 2qt6A1 ALA 33 H -0.10 0.51 0.22 -0.55 8.40 8.49 2qt6A1 ALA 33 HA 0.07 0.16 0.49 -0.75 4.34 4.31 2qt6A1 ALA 33 HB3 -0.05 -0.05 -0.15 -0.04 1.41 1.12 2qt6A1 PRO 34 HA 0.06 0.05 0.20 -0.51 4.44 4.24 2qt6A1 PRO 34 HB2 0.09 0.07 -0.14 -0.04 2.28 2.26 2qt6A1 PRO 34 HB3 0.07 0.04 0.05 -0.04 2.02 2.14 2qt6A1 PRO 34 HG2 0.18 -0.04 -0.10 -0.04 2.03 2.04 2qt6A1 PRO 34 HG3 0.12 0.01 -0.06 -0.04 2.03 2.05 2qt6A1 PRO 34 HD2 0.23 -0.07 0.06 -0.04 3.68 3.87 2qt6A1 PRO 34 HD3 0.12 0.38 0.14 -0.04 3.65 4.24 2qt6A1 LEU 35 H 0.07 0.08 0.14 -0.55 8.37 8.10 2qt6A1 LEU 35 HA 0.16 0.31 0.56 -0.75 4.35 4.63 2qt6A1 LEU 35 HB2 0.06 0.00 0.11 -0.04 1.64 1.77 2qt6A1 LEU 35 HB3 0.06 -0.02 0.16 -0.04 1.64 1.80 2qt6A1 LEU 35 HG 0.06 0.01 -0.48 -0.04 1.64 1.19 2qt6A1 LEU 35 HD13 0.09 0.02 -0.22 -0.04 0.93 0.78 2qt6A1 LEU 35 HD23 0.08 -0.01 -0.05 -0.04 0.89 0.88 2qt6A1 ILE 36 H 0.06 0.50 0.34 -0.55 8.25 8.59 2qt6A1 ILE 36 HA -0.16 0.30 0.93 -0.75 4.18 4.50 2qt6A1 ILE 36 HB -0.92 -0.05 0.05 -0.04 1.89 0.92 2qt6A1 ILE 36 HG12 -0.23 -0.04 -0.20 -0.04 1.49 0.98 2qt6A1 ILE 36 HG13 -0.17 0.21 -0.21 -0.04 1.21 1.00 2qt6A1 ILE 36 HG23 -0.87 -0.02 -0.23 -0.04 0.93 -0.22 2qt6A1 ILE 36 HD13 -0.70 -0.03 -0.19 -0.04 0.88 -0.08 2qt6A1 THR 37 H -0.08 0.68 0.24 -0.55 8.28 8.58 2qt6A1 THR 37 HA 0.02 0.34 0.95 -0.75 4.39 4.95 2qt6A1 THR 37 HB 0.31 -0.01 0.07 -0.04 4.32 4.65 2qt6A1 THR 37 HG23 0.16 -0.04 -0.26 -0.04 1.22 1.04 2qt6A1 GLY 38 H 0.24 0.52 0.35 -0.55 8.43 9.00 2qt6A1 GLY 38 HA2 0.02 0.09 0.14 -0.51 4.01 3.75 2qt6A1 GLY 38 HA3 0.01 0.03 0.45 -0.51 4.01 3.99 2qt6A1 ASN 39 H -0.04 0.17 0.17 -0.55 8.53 8.29 2qt6A1 ASN 39 HA 0.16 0.23 1.01 -0.75 4.76 5.40 2qt6A1 ASN 39 HB2 -0.01 -0.01 0.04 -0.04 2.88 2.86 2qt6A1 ASN 39 HB3 0.05 0.04 0.11 -0.04 2.79 2.94 2qt6A1 ASN 39 HD21 -0.00 0.02 -0.07 -0.04 7.03 6.94 2qt6A1 ASN 39 HD22 -0.02 0.01 -0.02 -0.04 7.74 7.67 2qt6A1 MET 40 H 0.09 0.48 0.29 -0.55 8.47 8.78 2qt6A1 MET 40 HA 0.06 0.27 0.51 -0.75 4.52 4.61 2qt6A1 MET 40 HB2 0.07 0.02 0.14 -0.04 2.15 2.34 2qt6A1 MET 40 HB3 0.04 -0.09 0.13 -0.04 2.03 2.07 2qt6A1 MET 40 HG2 0.03 0.00 -0.08 -0.04 2.63 2.53 2qt6A1 MET 40 HG3 0.04 0.00 -0.01 -0.04 2.56 2.56 2qt6A1 MET 40 HE3 0.03 -0.02 -0.03 -0.04 2.10 2.03 2qt6A1 GLY 41 H 0.01 0.51 0.25 -0.55 8.43 8.65 2qt6A1 GLY 41 HA2 -0.01 -0.09 0.00 -0.51 4.01 3.40 2qt6A1 GLY 41 HA3 -0.02 0.06 0.39 -0.51 4.01 3.94 2qt6A1 ASP 42 H -0.06 0.53 -0.24 -0.55 8.40 8.09 2qt6A1 ASP 42 HA -0.17 0.04 0.38 -0.75 4.63 4.12 2qt6A1 ASP 42 HB2 -0.35 0.07 0.07 -0.04 2.71 2.45 2qt6A1 ASP 42 HB3 -0.65 0.05 -0.13 -0.04 2.70 1.94 2qt6A1 ASN 43 H -0.27 0.12 0.15 -0.55 8.53 7.99 2qt6A1 ASN 43 HA -0.23 0.27 0.94 -0.75 4.76 4.99 2qt6A1 ASN 43 HB2 -0.13 -0.00 0.05 -0.04 2.88 2.75 2qt6A1 ASN 43 HB3 -0.19 -0.08 0.17 -0.04 2.79 2.65 2qt6A1 ASN 43 HD21 -0.11 -0.11 -0.18 -0.04 7.03 6.59 2qt6A1 ASN 43 HD22 -0.21 0.54 0.02 -0.04 7.74 8.05 2qt6A1 PHE 44 H -0.41 0.43 0.21 -0.55 8.34 8.01 2qt6A1 PHE 44 HA -0.41 0.19 0.83 -0.75 4.62 4.48 2qt6A1 PHE 44 HB2 -1.82 -0.02 0.05 -0.04 3.15 1.32 2qt6A1 PHE 44 HB3 -0.97 0.01 -0.04 -0.04 3.06 2.03 2qt6A1 PHE 44 HD2 -0.47 0.06 -0.11 -0.04 7.28 6.72 2qt6A1 PHE 44 HE2 -0.26 0.07 -0.27 -0.04 7.38 6.88 2qt6A1 PHE 44 HZ 0.00 -0.08 -0.34 -0.04 7.32 6.86 2qt6A1 GLN 45 H -0.23 0.59 0.22 -0.55 8.47 8.50 2qt6A1 GLN 45 HA -0.14 0.24 0.81 -0.75 4.36 4.51 2qt6A1 GLN 45 HB2 -0.12 -0.08 0.21 -0.04 2.15 2.13 2qt6A1 GLN 45 HB3 -0.07 -0.05 0.05 -0.04 2.02 1.90 2qt6A1 GLN 45 HG2 -0.09 0.04 -0.05 -0.04 2.40 2.25 2qt6A1 GLN 45 HG3 -0.17 0.04 -0.47 -0.04 2.39 1.75 2qt6A1 GLN 45 HE21 -0.06 -0.04 -0.05 -0.04 6.97 6.78 2qt6A1 GLN 45 HE22 -0.07 0.04 -0.10 -0.04 7.69 7.51 2qt6A1 LEU 46 H -0.11 0.80 0.12 -0.55 8.37 8.63 2qt6A1 LEU 46 HA -0.04 0.23 0.94 -0.75 4.35 4.73 2qt6A1 LEU 46 HB2 -0.34 0.01 0.13 -0.04 1.64 1.40 2qt6A1 LEU 46 HB3 -0.05 -0.01 -0.07 -0.04 1.64 1.47 2qt6A1 LEU 46 HG -0.27 -0.06 -0.27 -0.04 1.64 1.00 2qt6A1 LEU 46 HD13 -0.82 0.00 -0.15 -0.04 0.93 -0.07 2qt6A1 LEU 46 HD23 -0.12 -0.00 -0.21 -0.04 0.89 0.52 2qt6A1 ASN 47 H 0.06 0.72 0.33 -0.55 8.53 9.09 2qt6A1 ASN 47 HA 0.12 0.09 0.67 -0.75 4.76 4.88 2qt6A1 ASN 47 HB2 0.03 0.01 -0.05 -0.04 2.88 2.83 2qt6A1 ASN 47 HB3 0.06 -0.05 0.17 -0.04 2.79 2.93 2qt6A1 ASN 47 HD21 0.06 0.00 -0.15 -0.04 7.03 6.90 2qt6A1 ASN 47 HD22 0.05 -0.02 -0.09 -0.04 7.74 7.64 2qt6A1 LEU 48 H 0.32 0.71 0.35 -0.55 8.37 9.20 2qt6A1 LEU 48 HA 0.27 0.18 0.71 -0.75 4.35 4.76 2qt6A1 LEU 48 HB2 0.62 0.04 0.09 -0.04 1.64 2.35 2qt6A1 LEU 48 HB3 0.47 -0.03 0.22 -0.04 1.64 2.26 2qt6A1 LEU 48 HG 0.39 -0.04 -0.12 -0.04 1.64 1.83 2qt6A1 LEU 48 HD13 0.23 0.00 -0.35 -0.04 0.93 0.77 2qt6A1 LEU 48 HD23 0.27 0.04 -0.10 -0.04 0.89 1.07 2qt6A1 VAL 49 H 0.17 0.72 0.32 -0.55 8.24 8.89 2qt6A1 VAL 49 HA 0.13 0.13 0.75 -0.75 4.13 4.38 2qt6A1 VAL 49 HB 0.11 -0.09 0.07 -0.04 2.12 2.16 2qt6A1 VAL 49 HG13 0.08 0.01 -0.20 -0.04 0.97 0.82 2qt6A1 VAL 49 HG23 0.09 0.03 -0.17 -0.04 0.95 0.86 2qt6A1 ASN 50 H 0.13 0.73 0.30 -0.55 8.53 9.14 2qt6A1 ASN 50 HA 0.12 0.03 0.75 -0.75 4.76 4.90 2qt6A1 ASN 50 HB2 0.14 -0.05 -0.07 -0.04 2.88 2.87 2qt6A1 ASN 50 HB3 0.11 0.21 0.17 -0.04 2.79 3.24 2qt6A1 ASN 50 HD21 0.10 0.49 0.10 -0.04 7.03 7.68 2qt6A1 ASN 50 HD22 0.11 0.12 -0.36 -0.04 7.74 7.56 2qt6A1 GLN 51 H 0.10 0.66 0.41 -0.55 8.47 9.09 2qt6A1 GLN 51 HA 0.07 0.10 0.96 -0.75 4.36 4.73 2qt6A1 GLN 51 HB2 0.08 0.10 0.09 -0.04 2.15 2.38 2qt6A1 GLN 51 HB3 0.06 -0.06 0.21 -0.04 2.02 2.20 2qt6A1 GLN 51 HG2 0.06 0.02 -0.07 -0.04 2.40 2.37 2qt6A1 GLN 51 HG3 0.08 -0.03 -0.41 -0.04 2.39 1.99 2qt6A1 GLN 51 HE21 0.05 -0.02 -0.07 -0.04 6.97 6.89 2qt6A1 GLN 51 HE22 0.06 0.01 -0.11 -0.04 7.69 7.61 2qt6A1 MET 52 H 0.09 0.11 0.00 -0.55 8.47 8.12 2qt6A1 MET 52 HA 0.07 -0.08 0.52 -0.75 4.52 4.28 2qt6A1 MET 52 HB2 0.09 0.23 0.06 -0.04 2.15 2.49 2qt6A1 MET 52 HB3 0.08 -0.08 -0.06 -0.04 2.03 1.93 2qt6A1 MET 52 HG2 0.09 -0.11 -0.32 -0.04 2.63 2.25 2qt6A1 MET 52 HG3 0.10 -0.03 -0.17 -0.04 2.56 2.41 2qt6A1 MET 52 HE3 0.10 0.03 -0.26 -0.04 2.10 1.93 2qt6A1 THR 53 H 0.06 -0.03 0.22 -0.55 8.28 7.98 2qt6A1 THR 53 HA 0.07 0.28 0.89 -0.75 4.39 4.87 2qt6A1 THR 53 HB 0.06 -0.03 0.09 -0.04 4.32 4.40 2qt6A1 THR 53 HG23 0.05 0.05 -0.08 -0.04 1.22 1.20 2qt6A1 ASN 54 H 0.06 0.06 0.01 -0.55 8.53 8.11 2qt6A1 ASN 54 HA 0.05 0.14 0.60 -0.75 4.76 4.80 2qt6A1 ASN 54 HB2 0.02 0.02 0.04 -0.04 2.88 2.92 2qt6A1 ASN 54 HB3 0.01 0.07 0.08 -0.04 2.79 2.92 2qt6A1 ASN 54 HD21 -0.05 0.02 -0.03 -0.04 7.03 6.93 2qt6A1 ASN 54 HD22 -0.00 0.03 -0.03 -0.04 7.74 7.70 2qt6A1 HIS 55 H 0.20 0.25 0.20 -0.55 8.41 8.51 2qt6A1 HIS 55 HA 0.04 0.13 0.28 -0.75 4.63 4.33 2qt6A1 HIS 55 HB2 0.02 0.07 0.08 -0.04 3.26 3.40 2qt6A1 HIS 55 HB3 0.02 0.15 0.15 -0.04 3.20 3.49 2qt6A1 HIS 55 HD2 0.01 0.03 -0.11 -0.04 6.97 6.86 2qt6A1 HIS 55 HE1 0.01 -0.00 0.04 -0.04 7.75 7.76 2qt6A1 THR 56 H -0.55 0.03 -0.23 -0.55 8.28 6.98 2qt6A1 THR 56 HA -0.10 0.15 0.33 -0.75 4.39 4.02 2qt6A1 THR 56 HB -0.19 -0.04 -0.02 -0.04 4.32 4.03 2qt6A1 THR 56 HG23 -0.06 0.01 -0.11 -0.04 1.22 1.01 2qt6A1 MET 57 H -0.06 0.14 -0.40 -0.55 8.47 7.60 2qt6A1 MET 57 HA -0.01 0.08 0.74 -0.75 4.52 4.57 2qt6A1 MET 57 HB2 0.01 0.04 -0.03 -0.04 2.15 2.13 2qt6A1 MET 57 HB3 0.02 0.02 0.11 -0.04 2.03 2.14 2qt6A1 MET 57 HG2 -0.03 -0.05 -0.11 -0.04 2.63 2.40 2qt6A1 MET 57 HG3 -0.03 -0.12 -0.16 -0.04 2.56 2.20 2qt6A1 MET 57 HE3 0.03 -0.00 -0.20 -0.04 2.10 1.88 2qt6A1 LEU 58 H 0.02 0.14 -0.69 -0.55 8.37 7.30 2qt6A1 LEU 58 HA 0.08 0.16 0.30 -0.75 4.35 4.14 2qt6A1 LEU 58 HB2 0.07 0.17 0.28 -0.04 1.64 2.12 2qt6A1 LEU 58 HB3 0.10 -0.12 0.03 -0.04 1.64 1.60 2qt6A1 LEU 58 HG 0.05 -0.05 -0.52 -0.04 1.64 1.08 2qt6A1 LEU 58 HD13 0.08 -0.03 -0.11 -0.04 0.93 0.83 2qt6A1 LEU 58 HD23 0.07 0.04 -0.04 -0.04 0.89 0.92 2qt6A1 LYS 59 H 0.10 0.61 -0.07 -0.55 8.42 8.51 2qt6A1 LYS 59 HA 0.08 0.02 0.47 -0.75 4.32 4.14 2qt6A1 LYS 59 HB2 0.09 0.19 -0.16 -0.04 1.87 1.95 2qt6A1 LYS 59 HB3 0.08 -0.04 -0.08 -0.04 1.79 1.71 2qt6A1 LYS 59 HG2 0.08 -0.12 -0.58 -0.04 1.46 0.80 2qt6A1 LYS 59 HG3 0.10 -0.07 -0.68 -0.04 1.46 0.77 2qt6A1 LYS 59 HD2 0.10 0.00 -0.14 -0.04 1.69 1.61 2qt6A1 LYS 59 HD3 0.08 0.13 -0.01 -0.04 1.68 1.84 2qt6A1 LYS 59 HE2 0.06 0.03 0.01 -0.04 2.99 3.05 2qt6A1 LYS 59 HE3 0.06 0.12 0.03 -0.04 2.99 3.17 2qt6A1 THR 60 H 0.12 -0.12 -0.11 -0.55 8.28 7.62 2qt6A1 THR 60 HA 0.11 0.34 0.87 -0.75 4.39 4.96 2qt6A1 THR 60 HB 0.15 -0.01 -0.09 -0.04 4.32 4.34 2qt6A1 THR 60 HG23 0.22 0.01 -0.01 -0.04 1.22 1.40 2qt6A1 THR 61 H 0.08 0.40 0.26 -0.55 8.28 8.47 2qt6A1 THR 61 HA 0.07 0.10 0.56 -0.75 4.39 4.37 2qt6A1 THR 61 HB 0.11 0.15 -0.43 -0.04 4.32 4.11 2qt6A1 THR 61 HG23 0.15 -0.00 -0.25 -0.04 1.22 1.07 2qt6A1 SER 62 H 0.07 0.27 0.17 -0.55 8.46 8.42 2qt6A1 SER 62 HA 0.18 0.12 0.51 -0.75 4.49 4.55 2qt6A1 SER 62 HB2 -0.07 -0.03 -0.28 -0.04 3.95 3.54 2qt6A1 SER 62 HB3 0.00 0.00 -0.14 -0.04 3.93 3.76 2qt6A1 ILE 63 H 0.18 0.25 0.06 -0.55 8.25 8.19 2qt6A1 ILE 63 HA -0.25 0.18 0.86 -0.75 4.18 4.21 2qt6A1 ILE 63 HB -0.89 0.03 -0.03 -0.04 1.89 0.95 2qt6A1 ILE 63 HG12 0.15 -0.07 -0.19 -0.04 1.49 1.33 2qt6A1 ILE 63 HG13 0.07 0.02 -0.17 -0.04 1.21 1.10 2qt6A1 ILE 63 HG23 -1.10 0.01 -0.29 -0.04 0.93 -0.49 2qt6A1 ILE 63 HD13 0.03 0.02 -0.36 -0.04 0.88 0.52 2qt6A1 HIS 64 H -0.47 0.66 0.26 -0.55 8.41 8.32 2qt6A1 HIS 64 HA -0.58 0.46 0.97 -0.75 4.63 4.73 2qt6A1 HIS 64 HB2 -0.07 -0.08 -0.03 -0.04 3.26 3.05 2qt6A1 HIS 64 HB3 -0.58 0.02 0.03 -0.04 3.20 2.63 2qt6A1 HIS 64 HD2 -0.22 -0.00 -0.17 -0.04 6.97 6.52 2qt6A1 HIS 64 HE1 -0.18 -0.02 0.01 -0.04 7.75 7.52 2qt6A1 TRP 65 H -0.56 0.36 0.10 -0.55 7.97 7.33 2qt6A1 TRP 65 HA -0.31 0.12 0.74 -0.75 4.62 4.41 2qt6A1 TRP 65 HB2 -0.47 -0.03 0.12 -0.04 3.23 2.80 2qt6A1 TRP 65 HB3 -0.30 -0.01 -0.05 -0.04 3.23 2.83 2qt6A1 TRP 65 HD1 -0.47 0.11 0.04 -0.04 7.22 6.86 2qt6A1 TRP 65 HE1 -0.71 0.09 -0.03 -0.04 10.20 9.52 2qt6A1 TRP 65 HE3 0.12 0.03 -0.18 -0.04 7.59 7.52 2qt6A1 TRP 65 HZ2 -0.93 -0.01 -0.08 -0.04 7.44 6.38 2qt6A1 TRP 65 HZ3 -0.52 0.01 -0.20 -0.04 7.13 6.37 2qt6A1 TRP 65 HH2 -0.08 -0.05 -0.17 -0.04 7.19 6.84 2qt6A1 HIS 66 H -0.46 0.69 0.31 -0.55 8.41 8.40 2qt6A1 HIS 66 HA -0.84 -0.01 0.09 -0.75 4.63 3.11 2qt6A1 HIS 66 HB2 -0.91 0.00 -0.07 -0.04 3.26 2.24 2qt6A1 HIS 66 HB3 -0.73 -0.07 0.10 -0.04 3.20 2.46 2qt6A1 HIS 66 HD2 -0.05 -0.05 -0.53 -0.04 6.97 6.29 2qt6A1 HIS 66 HE1 -0.70 -0.01 -0.13 -0.04 7.75 6.86 2qt6A1 GLY 67 H -0.35 0.16 0.17 -0.55 8.43 7.87 2qt6A1 GLY 67 HA2 -0.06 0.06 0.28 -0.51 4.01 3.78 2qt6A1 GLY 67 HA3 0.03 0.16 0.72 -0.51 4.01 4.41 2qt6A1 PHE 68 H -0.51 0.39 -0.12 -0.55 8.34 7.55 2qt6A1 PHE 68 HA -0.68 0.09 0.58 -0.75 4.62 3.87 2qt6A1 PHE 68 HB2 -0.50 0.11 0.04 -0.04 3.15 2.76 2qt6A1 PHE 68 HB3 -0.44 -0.07 -0.03 -0.04 3.06 2.49 2qt6A1 PHE 68 HD2 -0.69 0.01 -0.19 -0.04 7.28 6.37 2qt6A1 PHE 68 HE2 -1.60 -0.02 -0.28 -0.04 7.38 5.45 2qt6A1 PHE 68 HZ -0.95 -0.03 -0.34 -0.04 7.32 5.96 2qt6A1 PHE 69 H -0.43 0.15 0.10 -0.55 8.34 7.61 2qt6A1 PHE 69 HA -0.35 0.03 0.15 -0.75 4.62 3.70 2qt6A1 PHE 69 HB2 -0.13 -0.08 0.04 -0.04 3.15 2.93 2qt6A1 PHE 69 HB3 -0.30 0.13 0.00 -0.04 3.06 2.85 2qt6A1 PHE 69 HD2 -0.16 -0.03 -0.27 -0.04 7.28 6.78 2qt6A1 PHE 69 HE2 -0.05 0.04 -0.18 -0.04 7.38 7.15 2qt6A1 PHE 69 HZ -0.02 0.00 -0.04 -0.04 7.32 7.23 2qt6A1 GLN 70 H -0.01 0.06 -0.19 -0.55 8.47 7.78 2qt6A1 GLN 70 HA -0.03 0.03 0.18 -0.75 4.36 3.79 2qt6A1 GLN 70 HB2 0.34 0.16 -0.29 -0.04 2.15 2.33 2qt6A1 GLN 70 HB3 0.08 0.02 -0.14 -0.04 2.02 1.93 2qt6A1 GLN 70 HG2 -0.08 0.08 -0.31 -0.04 2.40 2.05 2qt6A1 GLN 70 HG3 0.08 -0.02 -0.13 -0.04 2.39 2.28 2qt6A1 GLN 70 HE21 -2.01 -0.04 -0.13 -0.04 6.97 4.76 2qt6A1 GLN 70 HE22 -0.44 0.02 -0.06 -0.04 7.69 7.18 2qt6A1 LYS 71 H 0.09 0.01 -0.23 -0.55 8.42 7.74 2qt6A1 LYS 71 HA 0.18 0.12 0.35 -0.75 4.32 4.22 2qt6A1 LYS 71 HB2 0.05 0.04 0.05 -0.04 1.87 1.97 2qt6A1 LYS 71 HB3 0.08 -0.05 0.12 -0.04 1.79 1.90 2qt6A1 LYS 71 HG2 0.08 0.01 -0.13 -0.04 1.46 1.38 2qt6A1 LYS 71 HG3 0.10 0.01 0.11 -0.04 1.46 1.64 2qt6A1 LYS 71 HD2 0.01 0.04 0.06 -0.04 1.69 1.76 2qt6A1 LYS 71 HD3 0.05 -0.07 0.03 -0.04 1.68 1.64 2qt6A1 LYS 71 HE2 0.05 -0.07 0.03 -0.04 2.99 2.96 2qt6A1 LYS 71 HE3 0.06 0.03 0.12 -0.04 2.99 3.16 2qt6A1 GLY 72 H 0.17 0.20 0.24 -0.55 8.43 8.49 2qt6A1 GLY 72 HA2 0.10 0.32 0.48 -0.51 4.01 4.39 2qt6A1 GLY 72 HA3 0.09 0.06 0.68 -0.51 4.01 4.33 2qt6A1 THR 73 H 0.06 0.52 -0.55 -0.55 8.28 7.76 2qt6A1 THR 73 HA -0.16 0.22 0.82 -0.75 4.39 4.52 2qt6A1 THR 73 HB -0.70 -0.09 0.19 -0.04 4.32 3.68 2qt6A1 THR 73 HG23 0.12 0.03 -0.05 -0.04 1.22 1.28 2qt6A1 ASN 74 H -0.04 0.21 -0.05 -0.55 8.53 8.11 2qt6A1 ASN 74 HA -0.05 0.10 0.34 -0.75 4.76 4.40 2qt6A1 ASN 74 HB2 -0.30 0.13 0.16 -0.04 2.88 2.83 2qt6A1 ASN 74 HB3 -0.20 0.01 0.12 -0.04 2.79 2.68 2qt6A1 ASN 74 HD21 -1.48 0.46 -0.05 -0.04 7.03 5.92 2qt6A1 ASN 74 HD22 -2.99 0.04 -0.07 -0.04 7.74 4.68 2qt6A1 TRP 75 H -0.13 0.15 -0.27 -0.55 7.97 7.17 2qt6A1 TRP 75 HA -0.19 0.19 0.53 -0.75 4.62 4.39 2qt6A1 TRP 75 HB2 -1.33 -0.04 0.12 -0.04 3.23 1.94 2qt6A1 TRP 75 HB3 -0.98 0.04 0.09 -0.04 3.23 2.34 2qt6A1 TRP 75 HD1 -0.24 0.09 -0.10 -0.04 7.22 6.93 2qt6A1 TRP 75 HE1 -0.04 0.17 0.14 -0.04 10.20 10.43 2qt6A1 TRP 75 HE3 0.42 -0.01 -0.27 -0.04 7.59 7.69 2qt6A1 TRP 75 HZ2 0.02 0.10 0.14 -0.04 7.44 7.66 2qt6A1 TRP 75 HZ3 -0.09 0.07 0.07 -0.04 7.13 7.14 2qt6A1 TRP 75 HH2 -0.03 -0.08 0.18 -0.04 7.19 7.22 2qt6A1 ALA 76 H -0.74 0.55 -0.44 -0.55 8.40 7.23 2qt6A1 ALA 76 HA 0.22 0.10 0.69 -0.75 4.34 4.60 2qt6A1 ALA 76 HB3 -0.85 0.01 0.04 -0.04 1.41 0.57 2qt6A1 ASP 77 H 0.04 0.44 -0.21 -0.55 8.40 8.12 2qt6A1 ASP 77 HA 0.20 0.03 0.34 -0.75 4.63 4.45 2qt6A1 ASP 77 HB2 0.25 0.09 0.16 -0.04 2.71 3.16 2qt6A1 ASP 77 HB3 0.12 -0.02 0.09 -0.04 2.70 2.84 2qt6A1 GLY 78 H 0.18 0.08 -0.28 -0.55 8.43 7.87 2qt6A1 GLY 78 HA2 0.21 -0.03 0.03 -0.51 4.01 3.71 2qt6A1 GLY 78 HA3 0.01 0.23 0.27 -0.51 4.01 4.01 2qt6A1 PRO 79 HA -0.38 0.17 0.49 -0.51 4.44 4.21 2qt6A1 PRO 79 HB2 -0.58 -0.15 0.05 -0.04 2.28 1.55 2qt6A1 PRO 79 HB3 -0.75 0.12 0.02 -0.04 2.02 1.37 2qt6A1 PRO 79 HG2 -0.71 -0.02 -0.00 -0.04 2.03 1.26 2qt6A1 PRO 79 HG3 -1.21 0.09 -0.02 -0.04 2.03 0.85 2qt6A1 PRO 79 HD2 -0.14 0.01 -0.15 -0.04 3.68 3.36 2qt6A1 PRO 79 HD3 -0.14 0.37 -0.40 -0.04 3.65 3.43 2qt6A1 ALA 80 H -0.03 0.62 0.31 -0.55 8.40 8.76 2qt6A1 ALA 80 HA -0.38 0.11 0.34 -0.75 4.34 3.66 2qt6A1 ALA 80 HB3 -0.26 -0.02 0.09 -0.04 1.41 1.17 2qt6A1 PHE 81 H -0.66 0.66 0.34 -0.55 8.34 8.12 2qt6A1 PHE 81 HA -0.08 -0.03 0.23 -0.75 4.62 3.99 2qt6A1 PHE 81 HB2 0.01 0.10 0.09 -0.04 3.15 3.31 2qt6A1 PHE 81 HB3 -0.01 0.17 0.05 -0.04 3.06 3.23 2qt6A1 PHE 81 HD2 -0.05 0.06 -0.21 -0.04 7.28 7.04 2qt6A1 PHE 81 HE2 -0.12 -0.02 -0.02 -0.04 7.38 7.17 2qt6A1 PHE 81 HZ -0.35 -0.03 -0.02 -0.04 7.32 6.88 2qt6A1 ILE 82 H -0.19 0.38 -0.64 -0.55 8.25 7.25 2qt6A1 ILE 82 HA -0.10 0.07 0.89 -0.75 4.18 4.28 2qt6A1 ILE 82 HB -0.47 0.02 0.02 -0.04 1.89 1.42 2qt6A1 ILE 82 HG12 -0.71 0.12 -0.31 -0.04 1.49 0.54 2qt6A1 ILE 82 HG13 -2.04 -0.04 -0.13 -0.04 1.21 -1.04 2qt6A1 ILE 82 HG23 -0.33 -0.00 -0.18 -0.04 0.93 0.37 2qt6A1 ILE 82 HD13 -0.38 0.04 -0.24 -0.04 0.88 0.26 2qt6A1 ASN 83 H -0.13 0.61 0.17 -0.55 8.53 8.63 2qt6A1 ASN 83 HA 0.06 0.13 0.84 -0.75 4.76 5.03 2qt6A1 ASN 83 HB2 0.03 -0.12 -0.05 -0.04 2.88 2.70 2qt6A1 ASN 83 HB3 0.05 0.19 0.15 -0.04 2.79 3.14 2qt6A1 ASN 83 HD21 -0.35 0.40 0.03 -0.04 7.03 7.07 2qt6A1 ASN 83 HD22 -0.26 -0.02 -0.01 -0.04 7.74 7.41 2qt6A1 GLN 84 H -0.06 0.21 0.11 -0.55 8.47 8.18 2qt6A1 GLN 84 HA -0.01 0.07 0.45 -0.75 4.36 4.11 2qt6A1 GLN 84 HB2 -0.25 0.05 0.15 -0.04 2.15 2.06 2qt6A1 GLN 84 HB3 0.40 0.23 -0.10 -0.04 2.02 2.51 2qt6A1 GLN 84 HG2 0.02 -0.10 -0.36 -0.04 2.40 1.92 2qt6A1 GLN 84 HG3 -0.20 -0.03 -0.59 -0.04 2.39 1.53 2qt6A1 GLN 84 HE21 -0.05 -0.11 -0.00 -0.04 6.97 6.77 2qt6A1 GLN 84 HE22 -0.24 0.48 -0.03 -0.04 7.69 7.86 2qt6A1 CYS 85 H -0.53 0.12 0.11 -0.55 8.50 7.66 2qt6A1 CYS 85 HA -0.81 0.11 0.90 -0.75 4.58 4.04 2qt6A1 CYS 85 HB2 -0.38 -0.10 -0.16 -0.04 2.97 2.30 2qt6A1 CYS 85 HB3 -0.48 0.15 -0.02 -0.04 2.97 2.58 2qt6A1 PRO 86 HA -0.22 0.15 0.33 -0.51 4.44 4.19 2qt6A1 PRO 86 HB2 -0.12 0.02 -0.10 -0.04 2.28 2.04 2qt6A1 PRO 86 HB3 -0.09 -0.04 -0.11 -0.04 2.02 1.75 2qt6A1 PRO 86 HG2 -0.38 0.04 -0.03 -0.04 2.03 1.63 2qt6A1 PRO 86 HG3 -0.49 -0.00 -0.06 -0.04 2.03 1.44 2qt6A1 PRO 86 HD2 -1.80 0.14 0.13 -0.04 3.68 2.10 2qt6A1 PRO 86 HD3 -1.57 0.10 0.19 -0.04 3.65 2.33 2qt6A1 ILE 87 H -0.01 0.72 0.37 -0.55 8.25 8.78 2qt6A1 ILE 87 HA -0.03 0.09 0.62 -0.75 4.18 4.11 2qt6A1 ILE 87 HB 0.12 -0.08 0.10 -0.04 1.89 1.99 2qt6A1 ILE 87 HG12 -0.01 -0.00 -0.04 -0.04 1.49 1.39 2qt6A1 ILE 87 HG13 -0.04 0.04 0.08 -0.04 1.21 1.25 2qt6A1 ILE 87 HG23 0.14 0.05 -0.23 -0.04 0.93 0.85 2qt6A1 ILE 87 HD13 0.39 -0.02 -0.07 -0.04 0.88 1.14 2qt6A1 ALA 88 H 0.06 0.11 0.12 -0.55 8.40 8.14 2qt6A1 ALA 88 HA 0.11 0.07 0.42 -0.75 4.34 4.19 2qt6A1 ALA 88 HB3 0.06 0.02 0.00 -0.04 1.41 1.45 2qt6A1 SER 89 H 0.08 0.15 0.11 -0.55 8.46 8.25 2qt6A1 SER 89 HA 0.08 0.05 0.55 -0.75 4.49 4.42 2qt6A1 SER 89 HB2 0.08 0.20 0.13 -0.04 3.95 4.32 2qt6A1 SER 89 HB3 0.06 -0.08 0.10 -0.04 3.93 3.97 2qt6A1 GLY 90 H 0.07 0.70 0.41 -0.55 8.43 9.07 2qt6A1 GLY 90 HA2 0.05 -0.06 0.42 -0.51 4.01 3.91 2qt6A1 GLY 90 HA3 0.05 0.08 0.72 -0.51 4.01 4.35 2qt6A1 ASN 91 H 0.08 0.48 -0.15 -0.55 8.53 8.39 2qt6A1 ASN 91 HA 0.07 0.14 0.98 -0.75 4.76 5.19 2qt6A1 ASN 91 HB2 0.08 0.13 0.05 -0.04 2.88 3.09 2qt6A1 ASN 91 HB3 0.08 0.02 0.12 -0.04 2.79 2.97 2qt6A1 ASN 91 HD21 0.03 -0.01 -0.04 -0.04 7.03 6.97 2qt6A1 ASN 91 HD22 0.04 -0.06 0.01 -0.04 7.74 7.68 2qt6A1 SER 92 H 0.10 0.17 0.22 -0.55 8.46 8.41 2qt6A1 SER 92 HA 0.16 0.36 1.06 -0.75 4.49 5.32 2qt6A1 SER 92 HB2 0.09 -0.05 -0.00 -0.04 3.95 3.95 2qt6A1 SER 92 HB3 0.11 -0.03 -0.10 -0.04 3.93 3.87 2qt6A1 PHE 93 H 0.25 0.57 0.27 -0.55 8.34 8.87 2qt6A1 PHE 93 HA 0.05 0.07 0.67 -0.75 4.62 4.65 2qt6A1 PHE 93 HB2 0.04 0.08 -0.13 -0.04 3.15 3.10 2qt6A1 PHE 93 HB3 0.06 -0.02 0.05 -0.04 3.06 3.12 2qt6A1 PHE 93 HD2 -0.33 -0.02 -0.08 -0.04 7.28 6.81 2qt6A1 PHE 93 HE2 -0.10 -0.08 -0.21 -0.04 7.38 6.95 2qt6A1 PHE 93 HZ 0.60 0.01 -0.02 -0.04 7.32 7.86 2qt6A1 LEU 94 H -0.51 0.14 0.09 -0.55 8.37 7.55 2qt6A1 LEU 94 HA -0.06 0.13 0.63 -0.75 4.35 4.30 2qt6A1 LEU 94 HB2 -0.08 -0.03 -0.03 -0.04 1.64 1.46 2qt6A1 LEU 94 HB3 -0.18 -0.04 0.11 -0.04 1.64 1.50 2qt6A1 LEU 94 HG -0.02 0.05 -0.56 -0.04 1.64 1.06 2qt6A1 LEU 94 HD13 -0.01 0.01 -0.35 -0.04 0.93 0.53 2qt6A1 LEU 94 HD23 -0.03 -0.01 -0.09 -0.04 0.89 0.72 2qt6A1 TYR 95 H 0.24 0.70 0.35 -0.55 8.29 9.03 2qt6A1 TYR 95 HA 0.16 0.09 0.79 -0.75 4.56 4.86 2qt6A1 TYR 95 HB2 0.07 0.03 0.26 -0.04 3.06 3.38 2qt6A1 TYR 95 HB3 0.14 0.03 0.00 -0.04 2.98 3.11 2qt6A1 TYR 95 HD2 0.47 0.09 0.12 -0.04 7.15 7.79 2qt6A1 TYR 95 HE2 0.48 -0.03 -0.04 -0.04 6.85 7.22 2qt6A1 ASP 96 H 0.26 0.25 0.09 -0.55 8.40 8.45 2qt6A1 ASP 96 HA -0.06 0.34 0.94 -0.75 4.63 5.09 2qt6A1 ASP 96 HB2 0.11 -0.08 -0.17 -0.04 2.71 2.53 2qt6A1 ASP 96 HB3 0.38 -0.00 0.17 -0.04 2.70 3.21 2qt6A1 PHE 97 H -0.44 0.64 0.31 -0.55 8.34 8.30 2qt6A1 PHE 97 HA -0.08 0.18 0.84 -0.75 4.62 4.80 2qt6A1 PHE 97 HB2 -0.19 -0.01 0.11 -0.04 3.15 3.02 2qt6A1 PHE 97 HB3 -0.29 0.05 -0.19 -0.04 3.06 2.60 2qt6A1 PHE 97 HD2 -0.33 0.00 -0.35 -0.04 7.28 6.57 2qt6A1 PHE 97 HE2 -1.41 -0.01 -0.18 -0.04 7.38 5.73 2qt6A1 PHE 97 HZ -1.14 -0.01 -0.16 -0.04 7.32 5.97 2qt6A1 GLN 98 H 0.13 0.23 0.21 -0.55 8.47 8.49 2qt6A1 GLN 98 HA -0.08 0.32 1.03 -0.75 4.36 4.88 2qt6A1 GLN 98 HB2 0.02 -0.00 0.03 -0.04 2.15 2.16 2qt6A1 GLN 98 HB3 -0.02 0.03 -0.02 -0.04 2.02 1.97 2qt6A1 GLN 98 HG2 -0.08 0.02 -0.12 -0.04 2.40 2.18 2qt6A1 GLN 98 HG3 -0.02 -0.09 -0.39 -0.04 2.39 1.85 2qt6A1 GLN 98 HE21 -0.02 -0.03 -0.03 -0.04 6.97 6.85 2qt6A1 GLN 98 HE22 -0.05 0.03 -0.05 -0.04 7.69 7.58 2qt6A1 VAL 99 H -0.02 0.41 -0.02 -0.55 8.24 8.06 2qt6A1 VAL 99 HA -0.05 0.19 0.88 -0.75 4.13 4.39 2qt6A1 VAL 99 HB -0.14 0.01 0.06 -0.04 2.12 2.01 2qt6A1 VAL 99 HG13 -0.57 -0.00 -0.29 -0.04 0.97 0.07 2qt6A1 VAL 99 HG23 0.09 -0.03 0.04 -0.04 0.95 1.00 2qt6A1 PRO 100 HA 0.01 -0.02 0.50 -0.51 4.44 4.42 2qt6A1 PRO 100 HB2 0.04 0.05 -0.05 -0.04 2.28 2.28 2qt6A1 PRO 100 HB3 0.02 0.04 0.10 -0.04 2.02 2.13 2qt6A1 PRO 100 HG2 0.06 0.03 0.06 -0.04 2.03 2.14 2qt6A1 PRO 100 HG3 0.04 0.09 0.03 -0.04 2.03 2.14 2qt6A1 PRO 100 HD2 0.02 0.25 -0.18 -0.04 3.68 3.73 2qt6A1 PRO 100 HD3 0.01 0.08 -0.19 -0.04 3.65 3.51 2qt6A1 GLY 101 H 0.02 0.10 0.20 -0.55 8.43 8.20 2qt6A1 GLY 101 HA2 0.04 -0.02 0.34 -0.51 4.01 3.86 2qt6A1 GLY 101 HA3 0.07 0.11 0.24 -0.51 4.01 3.91 2qt6A1 GLN 102 H 0.01 0.27 -0.42 -0.55 8.47 7.78 2qt6A1 GLN 102 HA 0.04 0.26 1.05 -0.75 4.36 4.95 2qt6A1 GLN 102 HB2 -0.08 -0.05 -0.08 -0.04 2.15 1.89 2qt6A1 GLN 102 HB3 -0.06 0.02 -0.12 -0.04 2.02 1.81 2qt6A1 GLN 102 HG2 -0.28 0.11 -0.17 -0.04 2.40 2.02 2qt6A1 GLN 102 HG3 -0.24 0.14 -0.27 -0.04 2.39 1.99 2qt6A1 GLN 102 HE21 -1.10 0.46 0.09 -0.04 6.97 6.38 2qt6A1 GLN 102 HE22 -0.59 0.02 -0.06 -0.04 7.69 7.02 2qt6A1 ALA 103 H 0.15 0.42 0.13 -0.55 8.40 8.55 2qt6A1 ALA 103 HA 0.21 0.06 0.43 -0.75 4.34 4.28 2qt6A1 ALA 103 HB3 0.10 -0.01 -0.16 -0.04 1.41 1.30 2qt6A1 GLY 104 H 0.23 0.52 0.32 -0.55 8.43 8.95 2qt6A1 GLY 104 HA2 -0.04 -0.01 0.36 -0.51 4.01 3.81 2qt6A1 GLY 104 HA3 -0.14 0.14 0.39 -0.51 4.01 3.89 2qt6A1 THR 105 H -0.50 0.07 0.06 -0.55 8.28 7.36 2qt6A1 THR 105 HA -0.12 0.14 0.76 -0.75 4.39 4.43 2qt6A1 THR 105 HB -0.28 -0.11 -0.04 -0.04 4.32 3.86 2qt6A1 THR 105 HG23 -0.12 0.04 -0.23 -0.04 1.22 0.86 2qt6A1 PHE 106 H 0.15 0.58 0.35 -0.55 8.34 8.87 2qt6A1 PHE 106 HA -0.03 0.15 0.72 -0.75 4.62 4.71 2qt6A1 PHE 106 HB2 -0.11 0.04 -0.06 -0.04 3.15 2.98 2qt6A1 PHE 106 HB3 -0.50 0.19 0.12 -0.04 3.06 2.83 2qt6A1 PHE 106 HD2 -0.27 0.15 -0.14 -0.04 7.28 6.97 2qt6A1 PHE 106 HE2 -0.21 0.01 -0.28 -0.04 7.38 6.86 2qt6A1 PHE 106 HZ -0.19 0.04 -0.23 -0.04 7.32 6.90 2qt6A1 TRP 107 H 0.25 0.43 0.27 -0.55 7.97 8.38 2qt6A1 TRP 107 HA 0.29 -0.02 0.37 -0.75 4.62 4.51 2qt6A1 TRP 107 HB2 -0.03 0.21 0.19 -0.04 3.23 3.57 2qt6A1 TRP 107 HB3 -0.04 0.02 -0.00 -0.04 3.23 3.17 2qt6A1 TRP 107 HD1 -0.33 -0.08 -0.19 -0.04 7.22 6.58 2qt6A1 TRP 107 HE1 -1.25 0.14 0.03 -0.04 10.20 9.08 2qt6A1 TRP 107 HE3 -0.15 0.05 0.00 -0.04 7.59 7.45 2qt6A1 TRP 107 HZ2 -0.78 -0.03 -0.05 -0.04 7.44 6.54 2qt6A1 TRP 107 HZ3 -0.51 0.01 -0.03 -0.04 7.13 6.56 2qt6A1 TRP 107 HH2 -0.89 0.05 -0.16 -0.04 7.19 6.15 2qt6A1 TYR 108 H 0.30 0.72 0.36 -0.55 8.29 9.12 2qt6A1 TYR 108 HA -0.54 0.21 0.92 -0.75 4.56 4.40 2qt6A1 TYR 108 HB2 -0.51 0.05 0.01 -0.04 3.06 2.58 2qt6A1 TYR 108 HB3 0.38 -0.03 -0.22 -0.04 2.98 3.06 2qt6A1 TYR 108 HD2 0.11 -0.05 -0.36 -0.04 7.15 6.81 2qt6A1 TYR 108 HE2 0.15 0.14 -0.22 -0.04 6.85 6.88 2qt6A1 HIS 109 H -0.64 0.55 0.32 -0.55 8.41 8.10 2qt6A1 HIS 109 HA -0.23 0.17 0.79 -0.75 4.63 4.60 2qt6A1 HIS 109 HB2 -0.46 0.05 0.18 -0.04 3.26 2.99 2qt6A1 HIS 109 HB3 -0.63 0.04 -0.07 -0.04 3.20 2.50 2qt6A1 HIS 109 HD2 -2.93 -0.03 -0.26 -0.04 6.97 3.71 2qt6A1 HIS 109 HE1 -0.24 -0.03 -0.11 -0.04 7.75 7.33 2qt6A1 SER 110 H 0.12 0.53 0.31 -0.55 8.46 8.87 2qt6A1 SER 110 HA 0.02 0.19 0.72 -0.75 4.49 4.67 2qt6A1 SER 110 HB2 0.12 0.03 0.12 -0.04 3.95 4.19 2qt6A1 SER 110 HB3 0.20 -0.09 0.07 -0.04 3.93 4.06 2qt6A1 HIS 111 H 0.11 0.66 0.24 -0.55 8.41 8.87 2qt6A1 HIS 111 HA 0.17 0.22 0.73 -0.75 4.63 5.00 2qt6A1 HIS 111 HB2 -0.04 0.02 -0.21 -0.04 3.26 3.00 2qt6A1 HIS 111 HB3 -0.01 -0.01 -0.23 -0.04 3.20 2.91 2qt6A1 HIS 111 HD2 -0.05 0.01 -0.10 -0.04 6.97 6.78 2qt6A1 HIS 111 HE1 -0.04 0.03 -0.09 -0.04 7.75 7.60 2qt6A1 LEU 112 H 0.12 0.12 -0.14 -0.55 8.37 7.92 2qt6A1 LEU 112 HA 0.12 0.17 0.84 -0.75 4.35 4.72 2qt6A1 LEU 112 HB2 0.04 -0.02 -0.04 -0.04 1.64 1.59 2qt6A1 LEU 112 HB3 0.08 -0.03 0.14 -0.04 1.64 1.79 2qt6A1 LEU 112 HG 0.10 -0.01 -0.29 -0.04 1.64 1.40 2qt6A1 LEU 112 HD13 0.15 0.00 -0.03 -0.04 0.93 1.01 2qt6A1 LEU 112 HD23 0.09 0.01 -0.20 -0.04 0.89 0.76 2qt6A1 SER 113 H 0.13 0.20 0.04 -0.55 8.46 8.28 2qt6A1 SER 113 HA 0.05 0.13 0.30 -0.75 4.49 4.22 2qt6A1 SER 113 HB2 0.09 0.05 -0.03 -0.04 3.95 4.02 2qt6A1 SER 113 HB3 0.05 0.05 -0.07 -0.04 3.93 3.92 2qt6A1 THR 114 H -0.04 0.16 0.13 -0.55 8.28 7.99 2qt6A1 THR 114 HA -0.28 0.20 0.72 -0.75 4.39 4.27 2qt6A1 THR 114 HB -0.32 -0.08 0.18 -0.04 4.32 4.06 2qt6A1 THR 114 HG23 -0.16 0.03 -0.15 -0.04 1.22 0.89 2qt6A1 GLN 115 H -0.01 0.63 -0.25 -0.55 8.47 8.29 2qt6A1 GLN 115 HA 0.00 0.02 0.32 -0.75 4.36 3.94 2qt6A1 GLN 115 HB2 0.05 0.07 0.13 -0.04 2.15 2.36 2qt6A1 GLN 115 HB3 0.08 -0.06 0.12 -0.04 2.02 2.12 2qt6A1 GLN 115 HG2 0.10 -0.16 -0.05 -0.04 2.40 2.25 2qt6A1 GLN 115 HG3 0.06 0.21 0.17 -0.04 2.39 2.79 2qt6A1 GLN 115 HE21 0.09 0.37 0.03 -0.04 6.97 7.42 2qt6A1 GLN 115 HE22 0.07 0.39 0.21 -0.04 7.69 8.33 2qt6A1 TYR 116 H 0.07 0.24 -0.22 -0.55 8.29 7.84 2qt6A1 TYR 116 HA 0.10 -0.04 0.48 -0.75 4.56 4.35 2qt6A1 TYR 116 HB2 0.14 0.16 0.17 -0.04 3.06 3.49 2qt6A1 TYR 116 HB3 0.07 0.17 0.20 -0.04 2.98 3.38 2qt6A1 TYR 116 HD2 0.03 0.09 -0.15 -0.04 7.15 7.08 2qt6A1 TYR 116 HE2 -0.06 0.03 -0.24 -0.04 6.85 6.54 2qt6A1 CYS 117 H -0.26 0.37 -0.30 -0.55 8.50 7.76 2qt6A1 CYS 117 HA 0.09 0.09 0.39 -0.75 4.58 4.39 2qt6A1 CYS 117 HB2 -0.21 0.03 0.11 -0.04 2.97 2.87 2qt6A1 CYS 117 HB3 -0.15 0.00 0.11 -0.04 2.97 2.89 2qt6A1 ASP 118 H 0.00 0.33 -0.19 -0.55 8.40 8.00 2qt6A1 ASP 118 HA -0.12 0.09 0.63 -0.75 4.63 4.47 2qt6A1 ASP 118 HB2 0.03 0.20 0.20 -0.04 2.71 3.10 2qt6A1 ASP 118 HB3 0.02 -0.07 0.21 -0.04 2.70 2.82 2qt6A1 GLY 119 H 0.25 0.35 -0.37 -0.55 8.43 8.10 2qt6A1 GLY 119 HA2 0.42 0.01 0.21 -0.51 4.01 4.13 2qt6A1 GLY 119 HA3 0.27 0.27 0.94 -0.51 4.01 4.98 2qt6A1 LEU 120 H 0.24 0.12 0.08 -0.55 8.37 8.27 2qt6A1 LEU 120 HA 0.19 0.14 0.48 -0.75 4.35 4.39 2qt6A1 LEU 120 HB2 0.16 0.05 0.02 -0.04 1.64 1.83 2qt6A1 LEU 120 HB3 0.15 -0.19 0.22 -0.04 1.64 1.79 2qt6A1 LEU 120 HG 0.15 0.05 -0.16 -0.04 1.64 1.64 2qt6A1 LEU 120 HD13 0.12 -0.01 -0.10 -0.04 0.93 0.90 2qt6A1 LEU 120 HD23 0.08 -0.01 -0.23 -0.04 0.89 0.69 2qt6A1 ARG 121 H 0.16 0.49 0.28 -0.55 8.46 8.84 2qt6A1 ARG 121 HA -0.04 0.27 0.85 -0.75 4.34 4.67 2qt6A1 ARG 121 HB2 0.34 -0.00 0.05 -0.04 1.90 2.24 2qt6A1 ARG 121 HB3 0.27 0.02 0.08 -0.04 1.80 2.13 2qt6A1 ARG 121 HG2 0.48 -0.02 -0.38 -0.04 1.67 1.71 2qt6A1 ARG 121 HG3 0.41 -0.05 0.03 -0.04 1.67 2.02 2qt6A1 ARG 121 HD2 0.36 -0.07 0.03 -0.04 3.22 3.49 2qt6A1 ARG 121 HD3 0.57 0.03 -0.05 -0.04 3.22 3.74 2qt6A1 GLY 122 H -0.30 0.63 0.37 -0.55 8.43 8.59 2qt6A1 GLY 122 HA2 -0.09 0.03 0.44 -0.51 4.01 3.88 2qt6A1 GLY 122 HA3 -0.19 0.22 0.32 -0.51 4.01 3.84 2qt6A1 PRO 123 HA 0.29 0.17 0.60 -0.51 4.44 4.98 2qt6A1 PRO 123 HB2 0.10 0.00 -0.07 -0.04 2.28 2.27 2qt6A1 PRO 123 HB3 0.02 -0.01 0.00 -0.04 2.02 1.99 2qt6A1 PRO 123 HG2 0.09 -0.04 -0.01 -0.04 2.03 2.04 2qt6A1 PRO 123 HG3 0.01 0.01 -0.00 -0.04 2.03 2.01 2qt6A1 PRO 123 HD2 0.07 0.42 -0.04 -0.04 3.68 4.09 2qt6A1 PRO 123 HD3 -0.04 0.07 0.14 -0.04 3.65 3.78 2qt6A1 PHE 124 H 0.37 0.56 -0.00 -0.55 8.34 8.71 2qt6A1 PHE 124 HA 0.19 0.29 0.79 -0.75 4.62 5.13 2qt6A1 PHE 124 HB2 0.46 0.01 -0.52 -0.04 3.15 3.06 2qt6A1 PHE 124 HB3 0.37 -0.11 -0.30 -0.04 3.06 2.99 2qt6A1 PHE 124 HD2 0.21 -0.00 -0.50 -0.04 7.28 6.96 2qt6A1 PHE 124 HE2 -0.53 -0.03 -0.29 -0.04 7.38 6.48 2qt6A1 PHE 124 HZ -2.27 -0.03 -0.23 -0.04 7.32 4.75 2qt6A1 VAL 125 H 0.15 0.70 0.26 -0.55 8.24 8.80 2qt6A1 VAL 125 HA 0.19 0.16 1.02 -0.75 4.13 4.75 2qt6A1 VAL 125 HB -0.13 0.00 0.02 -0.04 2.12 1.98 2qt6A1 VAL 125 HG13 -0.70 -0.01 -0.27 -0.04 0.97 -0.05 2qt6A1 VAL 125 HG23 0.00 -0.02 -0.19 -0.04 0.95 0.70 2qt6A1 VAL 126 H 0.26 0.57 0.20 -0.55 8.24 8.71 2qt6A1 VAL 126 HA 0.17 0.23 0.84 -0.75 4.13 4.62 2qt6A1 VAL 126 HB 0.33 -0.10 0.03 -0.04 2.12 2.34 2qt6A1 VAL 126 HG13 0.17 0.02 -0.33 -0.04 0.97 0.78 2qt6A1 VAL 126 HG23 0.34 0.00 -0.34 -0.04 0.95 0.90 2qt6A1 TYR 127 H 0.16 0.66 0.30 -0.55 8.29 8.86 2qt6A1 TYR 127 HA 0.10 0.08 0.53 -0.75 4.56 4.51 2qt6A1 TYR 127 HB2 0.06 0.02 0.04 -0.04 3.06 3.13 2qt6A1 TYR 127 HB3 0.06 -0.01 -0.06 -0.04 2.98 2.93 2qt6A1 TYR 127 HD2 0.06 0.04 -0.04 -0.04 7.15 7.17 2qt6A1 TYR 127 HE2 0.02 -0.00 -0.16 -0.04 6.85 6.67 2qt6A1 ASP 128 H 0.21 0.22 0.12 -0.55 8.40 8.41 2qt6A1 ASP 128 HA 0.10 0.18 0.88 -0.75 4.63 5.03 2qt6A1 ASP 128 HB2 0.10 0.10 -0.02 -0.04 2.71 2.85 2qt6A1 ASP 128 HB3 0.10 -0.06 0.17 -0.04 2.70 2.87 2qt6A1 PRO 129 HA 0.03 0.11 0.44 -0.51 4.44 4.51 2qt6A1 PRO 129 HB2 0.01 0.05 -0.04 -0.04 2.28 2.26 2qt6A1 PRO 129 HB3 0.01 0.04 0.09 -0.04 2.02 2.12 2qt6A1 PRO 129 HG2 0.02 0.04 0.03 -0.04 2.03 2.07 2qt6A1 PRO 129 HG3 0.02 0.07 0.05 -0.04 2.03 2.13 2qt6A1 PRO 129 HD2 0.05 0.10 0.25 -0.04 3.68 4.04 2qt6A1 PRO 129 HD3 0.07 0.16 0.08 -0.04 3.65 3.91 2qt6A1 ASN 130 H 0.03 0.04 -0.49 -0.55 8.53 7.56 2qt6A1 ASN 130 HA 0.00 0.22 0.72 -0.75 4.76 4.95 2qt6A1 ASN 130 HB2 0.01 -0.02 0.01 -0.04 2.88 2.85 2qt6A1 ASN 130 HB3 0.00 0.03 0.12 -0.04 2.79 2.90 2qt6A1 ASN 130 HD21 -0.00 -0.01 -0.08 -0.04 7.03 6.89 2qt6A1 ASN 130 HD22 -0.01 0.05 0.01 -0.04 7.74 7.75 2qt6A1 ASP 131 H 0.05 0.39 -0.26 -0.55 8.40 8.04 2qt6A1 ASP 131 HA 0.05 0.07 0.30 -0.75 4.63 4.30 2qt6A1 ASP 131 HB2 0.13 0.19 0.20 -0.04 2.71 3.19 2qt6A1 ASP 131 HB3 0.11 -0.06 0.09 -0.04 2.70 2.79 2qt6A1 PRO 132 HA -0.03 0.12 0.43 -0.51 4.44 4.45 2qt6A1 PRO 132 HB2 -0.17 0.05 0.03 -0.04 2.28 2.15 2qt6A1 PRO 132 HB3 -0.07 0.05 0.14 -0.04 2.02 2.10 2qt6A1 PRO 132 HG2 -0.23 0.01 0.07 -0.04 2.03 1.85 2qt6A1 PRO 132 HG3 -0.10 0.06 0.08 -0.04 2.03 2.03 2qt6A1 PRO 132 HD2 -0.00 0.03 0.22 -0.04 3.68 3.88 2qt6A1 PRO 132 HD3 -0.02 0.20 0.20 -0.04 3.65 3.99 2qt6A1 HIS 133 H 0.08 0.07 -0.36 -0.55 8.41 7.66 2qt6A1 HIS 133 HA 0.02 0.22 0.77 -0.75 4.63 4.89 2qt6A1 HIS 133 HB2 0.16 -0.03 -0.01 -0.04 3.26 3.35 2qt6A1 HIS 133 HB3 0.22 -0.02 0.05 -0.04 3.20 3.41 2qt6A1 HIS 133 HD2 0.08 -0.03 0.07 -0.04 6.97 7.05 2qt6A1 HIS 133 HE1 0.06 0.02 0.09 -0.04 7.75 7.88 2qt6A1 ALA 134 H -0.01 0.55 -0.34 -0.55 8.40 8.04 2qt6A1 ALA 134 HA -0.62 0.01 0.20 -0.75 4.34 3.17 2qt6A1 ALA 134 HB3 -0.10 0.01 0.03 -0.04 1.41 1.31 2qt6A1 ASN 135 H -0.11 0.15 -0.42 -0.55 8.53 7.60 2qt6A1 ASN 135 HA -0.15 0.10 0.34 -0.75 4.76 4.30 2qt6A1 ASN 135 HB2 -0.05 -0.02 0.07 -0.04 2.88 2.84 2qt6A1 ASN 135 HB3 -0.06 -0.01 0.04 -0.04 2.79 2.72 2qt6A1 ASN 135 HD21 0.02 -0.00 -0.11 -0.04 7.03 6.90 2qt6A1 ASN 135 HD22 -0.01 -0.03 -0.16 -0.04 7.74 7.49 2qt6A1 LEU 136 H -0.21 0.51 -0.41 -0.55 8.37 7.72 2qt6A1 LEU 136 HA -0.02 0.08 0.51 -0.75 4.35 4.16 2qt6A1 LEU 136 HB2 0.13 0.13 0.01 -0.04 1.64 1.87 2qt6A1 LEU 136 HB3 0.08 -0.09 0.07 -0.04 1.64 1.66 2qt6A1 LEU 136 HG 0.07 -0.01 0.01 -0.04 1.64 1.66 2qt6A1 LEU 136 HD13 -0.03 -0.01 0.02 -0.04 0.93 0.87 2qt6A1 LEU 136 HD23 0.04 -0.00 -0.06 -0.04 0.89 0.82 2qt6A1 TYR 137 H -0.52 0.52 -0.25 -0.55 8.29 7.49 2qt6A1 TYR 137 HA -0.09 0.05 0.58 -0.75 4.56 4.35 2qt6A1 TYR 137 HB2 -0.16 -0.07 -0.24 -0.04 3.06 2.54 2qt6A1 TYR 137 HB3 -0.08 0.07 -0.42 -0.04 2.98 2.51 2qt6A1 TYR 137 HD2 -0.07 -0.01 -0.46 -0.04 7.15 6.56 2qt6A1 TYR 137 HE2 0.01 -0.02 -0.23 -0.04 6.85 6.57 2qt6A1 ASP 138 H -0.08 0.46 0.27 -0.55 8.40 8.50 2qt6A1 ASP 138 HA -0.09 0.22 0.92 -0.75 4.63 4.93 2qt6A1 ASP 138 HB2 -0.26 0.02 0.21 -0.04 2.71 2.64 2qt6A1 ASP 138 HB3 -0.13 -0.01 0.09 -0.04 2.70 2.61 2qt6A1 VAL 139 H -0.22 0.36 0.33 -0.55 8.24 8.16 2qt6A1 VAL 139 HA -0.10 0.19 0.91 -0.75 4.13 4.37 2qt6A1 VAL 139 HB -0.62 -0.02 0.12 -0.04 2.12 1.55 2qt6A1 VAL 139 HG13 -0.01 -0.00 -0.12 -0.04 0.97 0.79 2qt6A1 VAL 139 HG23 -0.35 0.01 -0.13 -0.04 0.95 0.44 2qt6A1 ASP 140 H -0.05 0.26 -0.04 -0.55 8.40 8.01 2qt6A1 ASP 140 HA -0.14 0.18 0.63 -0.75 4.63 4.55 2qt6A1 ASP 140 HB2 -0.21 0.03 -0.13 -0.04 2.71 2.36 2qt6A1 ASP 140 HB3 0.08 0.00 0.05 -0.04 2.70 2.79 2qt6A1 ASP 141 H -0.01 0.23 0.10 -0.55 8.40 8.17 2qt6A1 ASP 141 HA 0.02 0.22 0.55 -0.75 4.63 4.66 2qt6A1 ASP 141 HB2 -0.02 -0.05 0.21 -0.04 2.71 2.81 2qt6A1 ASP 141 HB3 -0.06 0.18 -0.09 -0.04 2.70 2.69 2qt6A1 GLU 142 H 0.04 0.22 0.15 -0.55 8.60 8.46 2qt6A1 GLU 142 HA 0.07 0.11 0.37 -0.75 4.29 4.09 2qt6A1 GLU 142 HB2 0.05 0.07 0.13 -0.04 2.09 2.30 2qt6A1 GLU 142 HB3 0.03 -0.02 0.14 -0.04 1.99 2.10 2qt6A1 GLU 142 HG2 0.03 0.01 -0.07 -0.04 2.34 2.26 2qt6A1 GLU 142 HG3 0.04 -0.03 0.14 -0.04 2.34 2.45 2qt6A1 SER 143 H 0.03 0.01 -0.26 -0.55 8.46 7.69 2qt6A1 SER 143 HA 0.04 0.21 0.47 -0.75 4.49 4.45 2qt6A1 SER 143 HB2 0.04 0.05 0.15 -0.04 3.95 4.14 2qt6A1 SER 143 HB3 0.03 -0.03 0.08 -0.04 3.93 3.96 2qt6A1 THR 144 H 0.03 0.38 -0.45 -0.55 8.28 7.69 2qt6A1 THR 144 HA 0.24 0.26 0.95 -0.75 4.39 5.08 2qt6A1 THR 144 HB -0.44 0.01 0.06 -0.04 4.32 3.91 2qt6A1 THR 144 HG23 -0.12 -0.01 -0.23 -0.04 1.22 0.82 2qt6A1 VAL 145 H 0.05 0.34 -0.10 -0.55 8.24 7.98 2qt6A1 VAL 145 HA -0.01 0.10 0.90 -0.75 4.13 4.37 2qt6A1 VAL 145 HB 0.02 0.10 0.16 -0.04 2.12 2.36 2qt6A1 VAL 145 HG13 -0.02 -0.01 -0.12 -0.04 0.97 0.78 2qt6A1 VAL 145 HG23 0.03 -0.00 -0.03 -0.04 0.95 0.91 2qt6A1 ILE 146 H -0.06 0.76 0.23 -0.55 8.25 8.64 2qt6A1 ILE 146 HA -0.05 0.17 0.89 -0.75 4.18 4.44 2qt6A1 ILE 146 HB -0.13 -0.08 -0.01 -0.04 1.89 1.63 2qt6A1 ILE 146 HG12 -0.07 0.10 -0.26 -0.04 1.49 1.22 2qt6A1 ILE 146 HG13 0.02 0.03 -0.48 -0.04 1.21 0.73 2qt6A1 ILE 146 HG23 -0.03 -0.00 -0.23 -0.04 0.93 0.63 2qt6A1 ILE 146 HD13 -0.32 -0.02 -0.17 -0.04 0.88 0.32 2qt6A1 THR 147 H -0.09 0.14 0.15 -0.55 8.28 7.92 2qt6A1 THR 147 HA -0.18 0.28 1.01 -0.75 4.39 4.75 2qt6A1 THR 147 HB -0.19 0.07 -0.01 -0.04 4.32 4.15 2qt6A1 THR 147 HG23 -0.11 0.02 -0.07 -0.04 1.22 1.02 2qt6A1 LEU 148 H -0.23 0.66 0.40 -0.55 8.37 8.65 2qt6A1 LEU 148 HA -0.23 0.33 0.94 -0.75 4.35 4.64 2qt6A1 LEU 148 HB2 -0.25 -0.10 0.12 -0.04 1.64 1.37 2qt6A1 LEU 148 HB3 -0.69 0.00 -0.05 -0.04 1.64 0.86 2qt6A1 LEU 148 HG -0.22 0.01 -0.26 -0.04 1.64 1.13 2qt6A1 LEU 148 HD13 -0.17 -0.01 -0.17 -0.04 0.93 0.54 2qt6A1 LEU 148 HD23 -0.10 0.05 -0.21 -0.04 0.89 0.58 2qt6A1 ALA 149 H -0.11 0.68 0.24 -0.55 8.40 8.67 2qt6A1 ALA 149 HA 0.08 0.05 0.72 -0.75 4.34 4.44 2qt6A1 ALA 149 HB3 0.20 0.04 -0.09 -0.04 1.41 1.51 2qt6A1 ASP 150 H 0.25 0.04 0.10 -0.55 8.40 8.24 2qt6A1 ASP 150 HA 0.12 0.22 0.92 -0.75 4.63 5.14 2qt6A1 ASP 150 HB2 -0.08 0.00 0.07 -0.04 2.71 2.66 2qt6A1 ASP 150 HB3 0.15 0.03 0.14 -0.04 2.70 2.97 2qt6A1 TRP 151 H -0.01 0.51 0.33 -0.55 7.97 8.25 2qt6A1 TRP 151 HA 0.05 0.25 0.89 -0.75 4.62 5.06 2qt6A1 TRP 151 HB2 0.06 0.05 -0.31 -0.04 3.23 3.00 2qt6A1 TRP 151 HB3 -0.02 -0.08 -0.08 -0.04 3.23 3.01 2qt6A1 TRP 151 HD1 0.19 -0.11 -0.29 -0.04 7.22 6.96 2qt6A1 TRP 151 HE1 0.13 0.02 -0.12 -0.04 10.20 10.19 2qt6A1 TRP 151 HE3 -0.01 0.06 -0.00 -0.04 7.59 7.60 2qt6A1 TRP 151 HZ2 -0.11 0.01 -0.08 -0.04 7.44 7.22 2qt6A1 TRP 151 HZ3 -0.66 0.04 -0.05 -0.04 7.13 6.43 2qt6A1 TRP 151 HH2 -0.40 0.06 -0.06 -0.04 7.19 6.75 2qt6A1 TYR 152 H -0.86 0.37 0.15 -0.55 8.29 7.40 2qt6A1 TYR 152 HA -0.25 -0.07 0.98 -0.75 4.56 4.45 2qt6A1 TYR 152 HB2 -0.34 0.11 0.04 -0.04 3.06 2.83 2qt6A1 TYR 152 HB3 -0.19 0.04 0.08 -0.04 2.98 2.88 2qt6A1 TYR 152 HD2 -0.15 0.08 -0.02 -0.04 7.15 7.03 2qt6A1 TYR 152 HE2 0.05 0.02 -0.26 -0.04 6.85 6.62 2qt6A1 HIS 153 H -0.15 0.09 0.16 -0.55 8.41 7.97 2qt6A1 HIS 153 HA 0.05 0.18 0.57 -0.75 4.63 4.69 2qt6A1 HIS 153 HB2 -0.19 -0.03 0.11 -0.04 3.26 3.11 2qt6A1 HIS 153 HB3 -0.34 0.04 0.05 -0.04 3.20 2.90 2qt6A1 HIS 153 HD2 0.18 0.07 -0.38 -0.04 6.97 6.79 2qt6A1 HIS 153 HE1 -0.15 -0.05 -0.05 -0.04 7.75 7.45 2qt6A1 VAL 154 H 0.03 0.05 -0.09 -0.55 8.24 7.67 2qt6A1 VAL 154 HA 0.03 0.14 0.78 -0.75 4.13 4.33 2qt6A1 VAL 154 HB -0.01 -0.03 0.05 -0.04 2.12 2.08 2qt6A1 VAL 154 HG13 -0.02 0.05 -0.23 -0.04 0.97 0.73 2qt6A1 VAL 154 HG23 0.02 -0.01 -0.12 -0.04 0.95 0.80 2qt6A1 ALA 155 H -0.02 0.10 0.08 -0.55 8.40 8.02 2qt6A1 ALA 155 HA -0.11 0.17 0.26 -0.75 4.34 3.91 2qt6A1 ALA 155 HB3 -0.05 0.02 0.06 -0.04 1.41 1.41 2qt6A1 ALA 156 H -0.09 0.17 0.13 -0.55 8.40 8.07 2qt6A1 ALA 156 HA -0.06 0.13 0.29 -0.75 4.34 3.95 2qt6A1 ALA 156 HB3 -0.06 0.01 0.08 -0.04 1.41 1.40 2qt6A1 LYS 157 H -0.04 0.05 -0.19 -0.55 8.42 7.69 2qt6A1 LYS 157 HA -0.02 0.21 0.62 -0.75 4.32 4.37 2qt6A1 LYS 157 HB2 -0.02 0.05 0.06 -0.04 1.87 1.91 2qt6A1 LYS 157 HB3 -0.01 -0.00 0.12 -0.04 1.79 1.85 2qt6A1 LYS 157 HG2 -0.01 -0.14 -0.06 -0.04 1.46 1.21 2qt6A1 LYS 157 HG3 0.00 0.12 0.03 -0.04 1.46 1.57 2qt6A1 LYS 157 HD2 0.01 0.00 0.02 -0.04 1.69 1.68 2qt6A1 LYS 157 HD3 -0.01 0.08 0.03 -0.04 1.68 1.73 2qt6A1 LYS 157 HE2 0.01 0.05 -0.01 -0.04 2.99 3.00 2qt6A1 LYS 157 HE3 -0.00 -0.08 -0.06 -0.04 2.99 2.81 2qt6A1 LEU 158 H -0.04 0.23 -0.53 -0.55 8.37 7.48 2qt6A1 LEU 158 HA -0.03 0.21 0.88 -0.75 4.35 4.66 2qt6A1 LEU 158 HB2 -0.03 -0.06 -0.03 -0.04 1.64 1.48 2qt6A1 LEU 158 HB3 -0.02 -0.02 0.00 -0.04 1.64 1.57 2qt6A1 LEU 158 HG -0.03 -0.09 -0.22 -0.04 1.64 1.26 2qt6A1 LEU 158 HD13 -0.02 -0.03 -0.02 -0.04 0.93 0.83 2qt6A1 LEU 158 HD23 -0.02 0.05 -0.09 -0.04 0.89 0.80 2qt6A1 GLY 159 H -0.07 0.33 -0.12 -0.55 8.43 8.03 2qt6A1 GLY 159 HA2 -0.05 0.04 0.57 -0.51 4.01 4.05 2qt6A1 GLY 159 HA3 -0.09 0.01 0.26 -0.51 4.01 3.69 2qt6A1 PRO 160 HA -0.09 0.06 0.39 -0.51 4.44 4.29 2qt6A1 PRO 160 HB2 -0.12 -0.02 -0.41 -0.04 2.28 1.69 2qt6A1 PRO 160 HB3 -0.06 0.04 -0.01 -0.04 2.02 1.95 2qt6A1 PRO 160 HG2 -0.05 -0.06 0.05 -0.04 2.03 1.93 2qt6A1 PRO 160 HG3 -0.05 0.06 0.04 -0.04 2.03 2.04 2qt6A1 PRO 160 HD2 -0.12 0.07 0.13 -0.04 3.68 3.72 2qt6A1 PRO 160 HD3 -0.06 0.09 0.18 -0.04 3.65 3.81 2qt6A1 ARG 161 H -0.16 0.09 0.11 -0.55 8.46 7.95 2qt6A1 ARG 161 HA -0.27 0.14 0.46 -0.75 4.34 3.92 2qt6A1 ARG 161 HB2 -0.25 -0.01 0.13 -0.04 1.90 1.74 2qt6A1 ARG 161 HB3 -0.48 -0.05 0.08 -0.04 1.80 1.30 2qt6A1 ARG 161 HG2 -1.56 0.02 -0.12 -0.04 1.67 -0.02 2qt6A1 ARG 161 HG3 -0.38 0.01 0.06 -0.04 1.67 1.32 2qt6A1 ARG 161 HD2 -0.17 -0.05 0.04 -0.04 3.22 3.00 2qt6A1 ARG 161 HD3 -0.23 -0.02 0.05 -0.04 3.22 2.98 2qt6A1 PHE 162 H -0.14 0.02 -0.34 -0.55 8.34 7.34 2qt6A1 PHE 162 HA -0.18 0.19 0.75 -0.75 4.62 4.63 2qt6A1 PHE 162 HB2 0.01 -0.07 0.06 -0.04 3.15 3.11 2qt6A1 PHE 162 HB3 0.04 0.03 -0.04 -0.04 3.06 3.05 2qt6A1 PHE 162 HD2 0.22 -0.04 -0.11 -0.04 7.28 7.31 2qt6A1 PHE 162 HE2 0.36 0.08 -0.15 -0.04 7.38 7.64 2qt6A1 PHE 162 HZ 0.32 0.20 -0.06 -0.04 7.32 7.75 2qt6A1 PRO 163 HA -0.10 -0.02 0.40 -0.51 4.44 4.21 2qt6A1 PRO 163 HB2 -0.11 -0.05 -0.09 -0.04 2.28 1.99 2qt6A1 PRO 163 HB3 -0.08 0.01 0.07 -0.04 2.02 1.98 2qt6A1 PRO 163 HG2 -1.37 -0.02 -0.02 -0.04 2.03 0.57 2qt6A1 PRO 163 HG3 -0.56 0.15 -0.03 -0.04 2.03 1.55 2qt6A1 PRO 163 HD2 -1.61 0.02 0.05 -0.04 3.68 2.10 2qt6A1 PRO 163 HD3 -0.84 0.44 -0.45 -0.04 3.65 2.76 2qt6A1 LYS 164 H 0.03 0.00 0.19 -0.55 8.42 8.08 2qt6A1 LYS 164 HA 0.04 0.13 0.41 -0.75 4.32 4.15 2qt6A1 LYS 164 HB2 0.05 0.02 -0.06 -0.04 1.87 1.83 2qt6A1 LYS 164 HB3 0.03 0.00 0.11 -0.04 1.79 1.88 2qt6A1 LYS 164 HG2 0.00 -0.00 0.05 -0.04 1.46 1.47 2qt6A1 LYS 164 HG3 0.00 0.06 0.07 -0.04 1.46 1.56 2qt6A1 LYS 164 HD2 -0.02 0.03 0.07 -0.04 1.69 1.74 2qt6A1 LYS 164 HD3 -0.01 0.00 0.29 -0.04 1.68 1.92 2qt6A1 LYS 164 HE2 0.03 0.07 0.08 -0.04 2.99 3.12 2qt6A1 LYS 164 HE3 -0.01 -0.00 0.04 -0.04 2.99 2.98 2qt6A1 GLY 165 H 0.17 0.20 -0.10 -0.55 8.43 8.16 2qt6A1 GLY 165 HA2 0.15 0.05 0.06 -0.51 4.01 3.75 2qt6A1 GLY 165 HA3 0.08 0.06 0.54 -0.51 4.01 4.18 2qt6A1 ALA 166 H -0.23 0.16 0.14 -0.55 8.40 7.92 2qt6A1 ALA 166 HA -0.77 0.10 0.63 -0.75 4.34 3.55 2qt6A1 ALA 166 HB3 -0.48 0.03 0.12 -0.04 1.41 1.05 2qt6A1 ASP 167 H -0.50 0.41 0.44 -0.55 8.40 8.21 2qt6A1 ASP 167 HA -0.26 0.10 0.82 -0.75 4.63 4.54 2qt6A1 ASP 167 HB2 -0.70 0.08 0.12 -0.04 2.71 2.16 2qt6A1 ASP 167 HB3 -0.95 -0.03 0.09 -0.04 2.70 1.77 2qt6A1 SER 168 H -0.15 0.38 0.21 -0.55 8.46 8.35 2qt6A1 SER 168 HA -0.04 0.17 0.42 -0.75 4.49 4.29 2qt6A1 SER 168 HB2 0.07 0.13 -0.25 -0.04 3.95 3.86 2qt6A1 SER 168 HB3 0.07 0.02 -0.30 -0.04 3.93 3.68 2qt6A1 THR 169 H 0.00 0.22 0.19 -0.55 8.28 8.14 2qt6A1 THR 169 HA 0.04 0.18 0.93 -0.75 4.39 4.79 2qt6A1 THR 169 HB -0.01 -0.09 0.23 -0.04 4.32 4.40 2qt6A1 THR 169 HG23 -0.27 0.03 -0.21 -0.04 1.22 0.73 2qt6A1 LEU 170 H 0.02 0.75 0.20 -0.55 8.37 8.79 2qt6A1 LEU 170 HA -0.01 0.31 0.46 -0.75 4.35 4.35 2qt6A1 LEU 170 HB2 0.05 -0.06 -0.04 -0.04 1.64 1.55 2qt6A1 LEU 170 HB3 -0.02 -0.06 -0.38 -0.04 1.64 1.14 2qt6A1 LEU 170 HG 0.15 -0.04 -0.39 -0.04 1.64 1.32 2qt6A1 LEU 170 HD13 -0.16 0.03 -0.25 -0.04 0.93 0.51 2qt6A1 LEU 170 HD23 -0.02 0.05 -0.57 -0.04 0.89 0.30 2qt6A1 ILE 171 H -0.03 0.82 0.27 -0.55 8.25 8.76 2qt6A1 ILE 171 HA -0.09 0.36 0.96 -0.75 4.18 4.66 2qt6A1 ILE 171 HB -0.01 0.07 0.12 -0.04 1.89 2.03 2qt6A1 ILE 171 HG12 -0.07 -0.00 -0.17 -0.04 1.49 1.20 2qt6A1 ILE 171 HG13 -0.06 -0.04 -0.41 -0.04 1.21 0.66 2qt6A1 ILE 171 HG23 -0.00 -0.01 -0.15 -0.04 0.93 0.73 2qt6A1 ILE 171 HD13 0.01 0.00 -0.43 -0.04 0.88 0.42 2qt6A1 ASN 172 H -0.09 0.48 0.24 -0.55 8.53 8.61 2qt6A1 ASN 172 HA -0.10 -0.01 0.36 -0.75 4.76 4.26 2qt6A1 ASN 172 HB2 -0.04 0.07 -0.09 -0.04 2.88 2.78 2qt6A1 ASN 172 HB3 -0.05 0.04 0.28 -0.04 2.79 3.02 2qt6A1 ASN 172 HD21 -0.02 0.18 0.08 -0.04 7.03 7.23 2qt6A1 ASN 172 HD22 -0.02 -0.01 -0.02 -0.04 7.74 7.64 2qt6A1 GLY 173 H -0.12 0.02 -0.49 -0.55 8.43 7.29 2qt6A1 GLY 173 HA2 -0.15 -0.05 0.17 -0.51 4.01 3.47 2qt6A1 GLY 173 HA3 -0.14 0.20 0.38 -0.51 4.01 3.94 2qt6A1 LEU 174 H -0.05 0.35 -0.33 -0.55 8.37 7.80 2qt6A1 LEU 174 HA -0.03 0.44 1.05 -0.75 4.35 5.05 2qt6A1 LEU 174 HB2 -0.01 -0.12 0.03 -0.04 1.64 1.50 2qt6A1 LEU 174 HB3 -0.00 0.24 -0.01 -0.04 1.64 1.83 2qt6A1 LEU 174 HG -0.03 0.06 -0.28 -0.04 1.64 1.35 2qt6A1 LEU 174 HD13 -0.01 -0.05 -0.20 -0.04 0.93 0.64 2qt6A1 LEU 174 HD23 -0.02 0.03 0.04 -0.04 0.89 0.90 2qt6A1 GLY 175 H 0.01 0.55 0.39 -0.55 8.43 8.84 2qt6A1 GLY 175 HA2 0.03 0.10 0.53 -0.51 4.01 4.16 2qt6A1 GLY 175 HA3 0.02 0.21 0.59 -0.51 4.01 4.32 2qt6A1 ARG 176 H 0.03 0.13 0.30 -0.55 8.46 8.36 2qt6A1 ARG 176 HA 0.06 0.21 0.99 -0.75 4.34 4.85 2qt6A1 ARG 176 HB2 0.02 -0.09 -0.09 -0.04 1.90 1.70 2qt6A1 ARG 176 HB3 0.03 0.09 -0.12 -0.04 1.80 1.76 2qt6A1 ARG 176 HG2 0.05 -0.02 -0.09 -0.04 1.67 1.57 2qt6A1 ARG 176 HG3 0.05 -0.09 -0.31 -0.04 1.67 1.28 2qt6A1 ARG 176 HD2 0.05 -0.00 -0.16 -0.04 3.22 3.07 2qt6A1 ARG 176 HD3 0.04 0.06 -0.05 -0.04 3.22 3.24 2qt6A1 SER 177 H 0.09 0.20 0.22 -0.55 8.46 8.42 2qt6A1 SER 177 HA -0.00 0.33 1.02 -0.75 4.49 5.08 2qt6A1 SER 177 HB2 -0.01 0.05 0.23 -0.04 3.95 4.17 2qt6A1 SER 177 HB3 0.13 0.03 -0.00 -0.04 3.93 4.05 2qt6A1 THR 178 H -0.03 0.23 0.18 -0.55 8.28 8.11 2qt6A1 THR 178 HA -0.01 0.15 0.37 -0.75 4.39 4.15 2qt6A1 THR 178 HB -0.02 0.02 0.06 -0.04 4.32 4.34 2qt6A1 THR 178 HG23 -0.05 0.02 0.05 -0.04 1.22 1.20 2qt6A1 SER 179 H 0.03 0.02 -0.26 -0.55 8.46 7.70 2qt6A1 SER 179 HA 0.02 0.19 0.73 -0.75 4.49 4.67 2qt6A1 SER 179 HB2 0.02 0.03 0.12 -0.04 3.95 4.08 2qt6A1 SER 179 HB3 0.01 -0.04 0.04 -0.04 3.93 3.90 2qt6A1 THR 180 H 0.06 0.31 -0.43 -0.55 8.28 7.67 2qt6A1 THR 180 HA 0.06 0.19 0.87 -0.75 4.39 4.75 2qt6A1 THR 180 HB 0.08 -0.03 0.24 -0.04 4.32 4.57 2qt6A1 THR 180 HG23 0.12 -0.03 -0.25 -0.04 1.22 1.02 2qt6A1 PRO 181 HA 0.03 0.17 0.27 -0.51 4.44 4.40 2qt6A1 PRO 181 HB2 0.02 -0.00 0.06 -0.04 2.28 2.32 2qt6A1 PRO 181 HB3 0.02 0.03 0.08 -0.04 2.02 2.10 2qt6A1 PRO 181 HG2 0.03 -0.01 -0.04 -0.04 2.03 1.96 2qt6A1 PRO 181 HG3 0.02 0.02 0.01 -0.04 2.03 2.03 2qt6A1 PRO 181 HD2 0.04 0.14 -0.15 -0.04 3.68 3.66 2qt6A1 PRO 181 HD3 0.03 0.21 -0.33 -0.04 3.65 3.52 2qt6A1 THR 182 H 0.04 0.01 -0.47 -0.55 8.28 7.32 2qt6A1 THR 182 HA 0.05 0.34 1.08 -0.75 4.39 5.10 2qt6A1 THR 182 HB 0.03 -0.01 0.14 -0.04 4.32 4.44 2qt6A1 THR 182 HG23 0.03 -0.01 -0.11 -0.04 1.22 1.09 2qt6A1 ALA 183 H 0.05 0.44 -0.12 -0.55 8.40 8.22 2qt6A1 ALA 183 HA 0.04 -0.05 0.38 -0.75 4.34 3.95 2qt6A1 ALA 183 HB3 0.05 0.01 -0.04 -0.04 1.41 1.40 2qt6A1 ASP 184 H 0.03 0.02 0.13 -0.55 8.40 8.02 2qt6A1 ASP 184 HA 0.03 0.02 0.40 -0.75 4.63 4.33 2qt6A1 ASP 184 HB2 0.01 -0.01 0.10 -0.04 2.71 2.77 2qt6A1 ASP 184 HB3 0.01 0.09 -0.03 -0.04 2.70 2.73 2qt6A1 LEU 185 H 0.04 0.08 0.15 -0.55 8.37 8.09 2qt6A1 LEU 185 HA 0.05 0.15 0.72 -0.75 4.35 4.51 2qt6A1 LEU 185 HB2 0.07 -0.08 0.00 -0.04 1.64 1.59 2qt6A1 LEU 185 HB3 0.10 0.01 0.03 -0.04 1.64 1.75 2qt6A1 LEU 185 HG 0.11 0.09 -0.08 -0.04 1.64 1.71 2qt6A1 LEU 185 HD13 0.33 -0.03 -0.08 -0.04 0.93 1.11 2qt6A1 LEU 185 HD23 0.10 0.08 -0.04 -0.04 0.89 0.99 2qt6A1 ALA 186 H 0.02 0.21 0.18 -0.55 8.40 8.26 2qt6A1 ALA 186 HA -0.00 0.09 0.60 -0.75 4.34 4.27 2qt6A1 ALA 186 HB3 -0.01 0.03 0.11 -0.04 1.41 1.50 2qt6A1 VAL 187 H -0.01 0.23 0.22 -0.55 8.24 8.13 2qt6A1 VAL 187 HA -0.02 0.24 1.00 -0.75 4.13 4.59 2qt6A1 VAL 187 HB -0.02 -0.03 0.12 -0.04 2.12 2.15 2qt6A1 VAL 187 HG13 -0.03 -0.02 -0.19 -0.04 0.97 0.69 2qt6A1 VAL 187 HG23 -0.02 0.03 -0.14 -0.04 0.95 0.78 2qt6A1 ILE 188 H -0.05 0.77 0.36 -0.55 8.25 8.79 2qt6A1 ILE 188 HA -0.02 0.17 0.93 -0.75 4.18 4.51 2qt6A1 ILE 188 HB -0.12 -0.04 0.13 -0.04 1.89 1.82 2qt6A1 ILE 188 HG12 -0.13 -0.04 -0.12 -0.04 1.49 1.16 2qt6A1 ILE 188 HG13 -0.03 0.13 -0.07 -0.04 1.21 1.19 2qt6A1 ILE 188 HG23 -0.14 0.02 -0.13 -0.04 0.93 0.64 2qt6A1 ILE 188 HD13 -0.04 -0.05 -0.36 -0.04 0.88 0.38 2qt6A1 SER 189 H -0.02 0.19 0.15 -0.55 8.46 8.24 2qt6A1 SER 189 HA -0.06 0.32 0.81 -0.75 4.49 4.81 2qt6A1 SER 189 HB2 -0.01 -0.04 0.10 -0.04 3.95 3.96 2qt6A1 SER 189 HB3 -0.02 -0.02 -0.03 -0.04 3.93 3.82 2qt6A1 VAL 190 H -0.16 0.53 0.28 -0.55 8.24 8.34 2qt6A1 VAL 190 HA -0.32 0.16 0.68 -0.75 4.13 3.89 2qt6A1 VAL 190 HB -0.53 -0.01 0.01 -0.04 2.12 1.56 2qt6A1 VAL 190 HG13 -0.66 0.01 -0.30 -0.04 0.97 -0.02 2qt6A1 VAL 190 HG23 -0.75 -0.01 -0.25 -0.04 0.95 -0.10 2qt6A1 THR 191 H 0.16 0.22 0.13 -0.55 8.28 8.24 2qt6A1 THR 191 HA 0.02 0.07 0.94 -0.75 4.39 4.66 2qt6A1 THR 191 HB 0.10 -0.02 0.09 -0.04 4.32 4.45 2qt6A1 THR 191 HG23 0.05 0.06 -0.04 -0.04 1.22 1.25 2qt6A1 LYS 192 H 0.14 0.13 0.16 -0.55 8.42 8.29 2qt6A1 LYS 192 HA 0.20 0.19 0.42 -0.75 4.32 4.37 2qt6A1 LYS 192 HB2 0.39 -0.02 0.12 -0.04 1.87 2.31 2qt6A1 LYS 192 HB3 0.16 -0.05 0.14 -0.04 1.79 1.99 2qt6A1 LYS 192 HG2 0.13 -0.04 -0.13 -0.04 1.46 1.38 2qt6A1 LYS 192 HG3 0.25 0.16 0.09 -0.04 1.46 1.92 2qt6A1 LYS 192 HD2 0.13 0.05 0.00 -0.04 1.69 1.84 2qt6A1 LYS 192 HD3 0.11 -0.08 0.01 -0.04 1.68 1.68 2qt6A1 LYS 192 HE2 0.04 -0.11 -0.06 -0.04 2.99 2.82 2qt6A1 LYS 192 HE3 0.06 -0.05 -0.05 -0.04 2.99 2.91 2qt6A1 GLY 193 H 0.14 0.70 0.32 -0.55 8.43 9.05 2qt6A1 GLY 193 HA2 0.07 -0.03 0.33 -0.51 4.01 3.87 2qt6A1 GLY 193 HA3 0.06 0.11 0.69 -0.51 4.01 4.36 2qt6A1 LYS 194 H 0.10 0.48 -0.05 -0.55 8.42 8.40 2qt6A1 LYS 194 HA -0.05 0.16 0.85 -0.75 4.32 4.53 2qt6A1 LYS 194 HB2 0.06 0.02 0.11 -0.04 1.87 2.02 2qt6A1 LYS 194 HB3 -0.39 -0.01 0.07 -0.04 1.79 1.42 2qt6A1 LYS 194 HG2 -0.06 0.04 -0.08 -0.04 1.46 1.31 2qt6A1 LYS 194 HG3 0.01 0.07 -0.15 -0.04 1.46 1.35 2qt6A1 LYS 194 HD2 0.01 -0.06 -0.02 -0.04 1.69 1.58 2qt6A1 LYS 194 HD3 -0.15 0.00 -0.03 -0.04 1.68 1.47 2qt6A1 LYS 194 HE2 0.00 -0.01 -0.04 -0.04 2.99 2.90 2qt6A1 LYS 194 HE3 -0.03 -0.01 -0.03 -0.04 2.99 2.88 2qt6A1 ARG 195 H -0.17 0.15 0.26 -0.55 8.46 8.15 2qt6A1 ARG 195 HA 0.08 0.29 1.07 -0.75 4.34 5.02 2qt6A1 ARG 195 HB2 -0.03 -0.16 0.19 -0.04 1.90 1.86 2qt6A1 ARG 195 HB3 0.04 0.16 0.12 -0.04 1.80 2.08 2qt6A1 ARG 195 HG2 0.05 -0.04 -0.02 -0.04 1.67 1.62 2qt6A1 ARG 195 HG3 0.01 -0.03 -0.18 -0.04 1.67 1.43 2qt6A1 ARG 195 HD2 0.02 0.18 -0.04 -0.04 3.22 3.33 2qt6A1 ARG 195 HD3 0.01 -0.03 -0.05 -0.04 3.22 3.11 2qt6A1 TYR 196 H 0.10 0.67 0.40 -0.55 8.29 8.91 2qt6A1 TYR 196 HA -0.27 0.16 0.99 -0.75 4.56 4.68 2qt6A1 TYR 196 HB2 -0.52 -0.02 0.14 -0.04 3.06 2.61 2qt6A1 TYR 196 HB3 -1.36 0.07 -0.12 -0.04 2.98 1.53 2qt6A1 TYR 196 HD2 -0.23 0.09 -0.11 -0.04 7.15 6.86 2qt6A1 TYR 196 HE2 -0.09 0.06 -0.05 -0.04 6.85 6.73 2qt6A1 ARG 197 H -0.44 0.68 0.30 -0.55 8.46 8.45 2qt6A1 ARG 197 HA -0.43 0.17 0.81 -0.75 4.34 4.14 2qt6A1 ARG 197 HB2 -1.89 -0.01 -0.02 -0.04 1.90 -0.05 2qt6A1 ARG 197 HB3 -0.70 -0.05 0.20 -0.04 1.80 1.22 2qt6A1 ARG 197 HG2 -0.35 0.01 -0.36 -0.04 1.67 0.93 2qt6A1 ARG 197 HG3 -0.41 0.01 -0.16 -0.04 1.67 1.07 2qt6A1 ARG 197 HD2 -0.62 0.01 -0.14 -0.04 3.22 2.43 2qt6A1 ARG 197 HD3 -0.31 -0.03 -0.11 -0.04 3.22 2.73 2qt6A1 PHE 198 H -0.47 0.62 0.23 -0.55 8.34 8.17 2qt6A1 PHE 198 HA -0.30 0.34 0.87 -0.75 4.62 4.78 2qt6A1 PHE 198 HB2 -1.68 -0.00 0.09 -0.04 3.15 1.51 2qt6A1 PHE 198 HB3 -0.67 -0.01 -0.11 -0.04 3.06 2.22 2qt6A1 PHE 198 HD2 -0.12 0.11 -0.04 -0.04 7.28 7.18 2qt6A1 PHE 198 HE2 -0.13 0.06 -0.05 -0.04 7.38 7.21 2qt6A1 PHE 198 HZ -0.46 0.02 -0.16 -0.04 7.32 6.69 2qt6A1 ARG 199 H -0.06 0.72 0.31 -0.55 8.46 8.88 2qt6A1 ARG 199 HA -0.15 0.13 0.87 -0.75 4.34 4.44 2qt6A1 ARG 199 HB2 -0.07 -0.02 0.13 -0.04 1.90 1.90 2qt6A1 ARG 199 HB3 -0.10 -0.01 -0.06 -0.04 1.80 1.59 2qt6A1 ARG 199 HG2 -0.13 -0.04 -0.21 -0.04 1.67 1.24 2qt6A1 ARG 199 HG3 -0.15 0.11 -0.32 -0.04 1.67 1.27 2qt6A1 ARG 199 HD2 -0.05 0.01 -0.15 -0.04 3.22 2.99 2qt6A1 ARG 199 HD3 -0.11 -0.02 -0.17 -0.04 3.22 2.87 2qt6A1 LEU 200 H -0.09 0.78 0.37 -0.55 8.37 8.88 2qt6A1 LEU 200 HA -0.17 0.26 0.66 -0.75 4.35 4.35 2qt6A1 LEU 200 HB2 -0.04 -0.02 -0.03 -0.04 1.64 1.51 2qt6A1 LEU 200 HB3 -0.01 -0.07 0.18 -0.04 1.64 1.70 2qt6A1 LEU 200 HG -0.24 -0.02 -0.31 -0.04 1.64 1.03 2qt6A1 LEU 200 HD13 -0.61 0.05 -0.13 -0.04 0.93 0.20 2qt6A1 LEU 200 HD23 -0.49 -0.02 -0.14 -0.04 0.89 0.19 2qt6A1 VAL 201 H -0.20 0.69 0.37 -0.55 8.24 8.55 2qt6A1 VAL 201 HA -0.29 0.20 0.90 -0.75 4.13 4.18 2qt6A1 VAL 201 HB -0.22 -0.10 0.09 -0.04 2.12 1.85 2qt6A1 VAL 201 HG13 -0.41 0.01 -0.30 -0.04 0.97 0.22 2qt6A1 VAL 201 HG23 -0.11 0.02 -0.25 -0.04 0.95 0.57 2qt6A1 SER 202 H -0.41 0.71 0.21 -0.55 8.46 8.42 2qt6A1 SER 202 HA -0.29 0.08 0.94 -0.75 4.49 4.46 2qt6A1 SER 202 HB2 -0.14 0.01 -0.02 -0.04 3.95 3.76 2qt6A1 SER 202 HB3 -0.34 0.11 0.21 -0.04 3.93 3.86 2qt6A1 LEU 203 H -0.37 0.73 0.32 -0.55 8.37 8.50 2qt6A1 LEU 203 HA -1.70 0.17 0.63 -0.75 4.35 2.70 2qt6A1 LEU 203 HB2 -0.12 0.02 0.10 -0.04 1.64 1.60 2qt6A1 LEU 203 HB3 -0.07 0.00 0.10 -0.04 1.64 1.64 2qt6A1 LEU 203 HG -0.33 -0.00 -0.10 -0.04 1.64 1.17 2qt6A1 LEU 203 HD13 -0.15 0.01 -0.15 -0.04 0.93 0.60 2qt6A1 LEU 203 HD23 -0.30 0.00 -0.28 -0.04 0.89 0.26 2qt6A1 SER 204 H -0.26 -0.01 -0.38 -0.55 8.46 7.26 2qt6A1 SER 204 HA 0.17 -0.10 0.23 -0.75 4.49 4.03 2qt6A1 SER 204 HB2 0.15 0.03 -0.00 -0.04 3.95 4.09 2qt6A1 SER 204 HB3 0.03 -0.02 -0.02 -0.04 3.93 3.87 2qt6A1 CYS 205 H 0.26 0.10 0.24 -0.55 8.50 8.55 2qt6A1 CYS 205 HA 0.07 0.25 0.85 -0.75 4.58 5.00 2qt6A1 CYS 205 HB2 0.15 0.02 0.16 -0.04 2.97 3.26 2qt6A1 CYS 205 HB3 -0.39 -0.06 0.07 -0.04 2.97 2.55 2qt6A1 ASP 206 H 0.14 0.02 -0.16 -0.55 8.40 7.86 2qt6A1 ASP 206 HA 0.11 0.08 0.70 -0.75 4.63 4.76 2qt6A1 ASP 206 HB2 0.43 0.05 -0.36 -0.04 2.71 2.80 2qt6A1 ASP 206 HB3 0.35 -0.04 -0.05 -0.04 2.70 2.93 2qt6A1 PRO 207 HA -0.13 0.07 0.36 -0.51 4.44 4.23 2qt6A1 PRO 207 HB2 -0.78 0.14 -0.00 -0.04 2.28 1.59 2qt6A1 PRO 207 HB3 -0.79 0.03 0.15 -0.04 2.02 1.37 2qt6A1 PRO 207 HG2 -0.26 -0.00 0.04 -0.04 2.03 1.76 2qt6A1 PRO 207 HG3 -0.30 0.04 0.09 -0.04 2.03 1.82 2qt6A1 PRO 207 HD2 0.10 -0.09 0.19 -0.04 3.68 3.84 2qt6A1 PRO 207 HD3 -0.03 0.16 0.10 -0.04 3.65 3.84 2qt6A1 ASN 208 H -0.20 0.08 0.24 -0.55 8.53 8.11 2qt6A1 ASN 208 HA -0.29 0.26 0.92 -0.75 4.76 4.91 2qt6A1 ASN 208 HB2 -0.77 0.05 -0.16 -0.04 2.88 1.96 2qt6A1 ASN 208 HB3 -0.27 -0.03 0.11 -0.04 2.79 2.56 2qt6A1 ASN 208 HD21 0.02 0.02 0.02 -0.04 7.03 7.05 2qt6A1 ASN 208 HD22 0.11 0.09 0.05 -0.04 7.74 7.95 2qt6A1 TYR 209 H -0.15 0.59 0.22 -0.55 8.29 8.39 2qt6A1 TYR 209 HA -0.10 0.33 0.76 -0.75 4.56 4.80 2qt6A1 TYR 209 HB2 -0.05 -0.02 -0.05 -0.04 3.06 2.89 2qt6A1 TYR 209 HB3 0.01 -0.01 -0.32 -0.04 2.98 2.63 2qt6A1 TYR 209 HD2 -0.08 0.06 -0.42 -0.04 7.15 6.67 2qt6A1 TYR 209 HE2 -0.08 -0.01 -0.17 -0.04 6.85 6.55 2qt6A1 THR 210 H 0.06 0.66 0.18 -0.55 8.28 8.63 2qt6A1 THR 210 HA 0.01 0.17 0.89 -0.75 4.39 4.70 2qt6A1 THR 210 HB 0.02 0.01 0.16 -0.04 4.32 4.47 2qt6A1 THR 210 HG23 -0.01 -0.01 -0.19 -0.04 1.22 0.97 2qt6A1 PHE 211 H 0.12 0.80 0.33 -0.55 8.34 9.04 2qt6A1 PHE 211 HA -0.04 0.44 0.93 -0.75 4.62 5.20 2qt6A1 PHE 211 HB2 -0.04 -0.04 -0.06 -0.04 3.15 2.96 2qt6A1 PHE 211 HB3 -0.11 -0.03 0.14 -0.04 3.06 3.02 2qt6A1 PHE 211 HD2 -0.19 -0.06 -0.24 -0.04 7.28 6.75 2qt6A1 PHE 211 HE2 -0.25 -0.02 -0.22 -0.04 7.38 6.85 2qt6A1 PHE 211 HZ -0.03 -0.01 -0.18 -0.04 7.32 7.06 2qt6A1 SER 212 H -0.74 0.64 0.41 -0.55 8.46 8.23 2qt6A1 SER 212 HA -0.31 0.18 0.64 -0.75 4.49 4.25 2qt6A1 SER 212 HB2 -0.17 0.00 0.11 -0.04 3.95 3.85 2qt6A1 SER 212 HB3 -0.14 0.01 -0.14 -0.04 3.93 3.63 2qt6A1 ILE 213 H -0.20 0.36 0.20 -0.55 8.25 8.07 2qt6A1 ILE 213 HA -0.20 0.25 1.03 -0.75 4.18 4.51 2qt6A1 ILE 213 HB -0.10 0.04 0.09 -0.04 1.89 1.88 2qt6A1 ILE 213 HG12 -0.32 0.04 -0.09 -0.04 1.49 1.08 2qt6A1 ILE 213 HG13 -0.34 -0.10 -0.43 -0.04 1.21 0.30 2qt6A1 ILE 213 HG23 -0.16 0.03 -0.16 -0.04 0.93 0.60 2qt6A1 ILE 213 HD13 0.01 0.01 -0.14 -0.04 0.88 0.72 2qt6A1 ASP 214 H 0.03 0.68 0.20 -0.55 8.40 8.76 2qt6A1 ASP 214 HA 0.02 -0.14 0.36 -0.75 4.63 4.12 2qt6A1 ASP 214 HB2 0.23 -0.09 0.15 -0.04 2.71 2.95 2qt6A1 ASP 214 HB3 0.16 0.07 0.01 -0.04 2.70 2.90 2qt6A1 SER 215 H 0.03 0.00 0.28 -0.55 8.46 8.22 2qt6A1 SER 215 HA -0.04 -0.04 0.38 -0.75 4.49 4.04 2qt6A1 SER 215 HB2 -0.16 0.20 0.04 -0.04 3.95 4.00 2qt6A1 SER 215 HB3 -0.13 -0.04 0.19 -0.04 3.93 3.91 2qt6A1 HIS 216 H 0.06 0.50 -0.27 -0.55 8.41 8.16 2qt6A1 HIS 216 HA -0.05 0.12 1.06 -0.75 4.63 5.00 2qt6A1 HIS 216 HB2 -0.07 0.02 -0.02 -0.04 3.26 3.15 2qt6A1 HIS 216 HB3 -0.00 0.06 -0.05 -0.04 3.20 3.16 2qt6A1 HIS 216 HD2 0.02 0.13 0.02 -0.04 6.97 7.09 2qt6A1 HIS 216 HE1 -1.83 -0.01 -0.10 -0.04 7.75 5.76 2qt6A1 GLN 217 H 0.02 0.10 0.18 -0.55 8.47 8.22 2qt6A1 GLN 217 HA -0.01 0.16 0.81 -0.75 4.36 4.56 2qt6A1 GLN 217 HB2 0.02 -0.03 0.09 -0.04 2.15 2.19 2qt6A1 GLN 217 HB3 0.01 0.04 0.03 -0.04 2.02 2.06 2qt6A1 GLN 217 HG2 -0.02 -0.03 -0.07 -0.04 2.40 2.24 2qt6A1 GLN 217 HG3 -0.01 -0.01 -0.00 -0.04 2.39 2.33 2qt6A1 GLN 217 HE21 -0.01 0.02 -0.11 -0.04 6.97 6.83 2qt6A1 GLN 217 HE22 -0.02 -0.07 -0.15 -0.04 7.69 7.41 2qt6A1 LEU 218 H -0.03 0.70 0.39 -0.55 8.37 8.89 2qt6A1 LEU 218 HA 0.11 0.25 0.85 -0.75 4.35 4.80 2qt6A1 LEU 218 HB2 -0.19 -0.07 0.01 -0.04 1.64 1.34 2qt6A1 LEU 218 HB3 -0.52 -0.02 -0.11 -0.04 1.64 0.95 2qt6A1 LEU 218 HG -0.17 0.06 -0.03 -0.04 1.64 1.46 2qt6A1 LEU 218 HD13 -0.42 -0.04 -0.20 -0.04 0.93 0.23 2qt6A1 LEU 218 HD23 -0.30 0.01 -0.32 -0.04 0.89 0.24 2qt6A1 THR 219 H 0.18 0.65 0.27 -0.55 8.28 8.83 2qt6A1 THR 219 HA 0.05 0.23 0.96 -0.75 4.39 4.87 2qt6A1 THR 219 HB 0.09 -0.03 0.22 -0.04 4.32 4.56 2qt6A1 THR 219 HG23 0.03 0.00 -0.21 -0.04 1.22 1.00 2qt6A1 VAL 220 H 0.04 0.73 0.36 -0.55 8.24 8.82 2qt6A1 VAL 220 HA 0.13 0.15 0.65 -0.75 4.13 4.31 2qt6A1 VAL 220 HB 0.02 0.05 0.26 -0.04 2.12 2.40 2qt6A1 VAL 220 HG13 0.13 0.01 -0.04 -0.04 0.97 1.02 2qt6A1 VAL 220 HG23 -0.08 -0.00 -0.02 -0.04 0.95 0.80 2qt6A1 ILE 221 H 0.07 0.53 0.41 -0.55 8.25 8.71 2qt6A1 ILE 221 HA -0.02 0.29 0.82 -0.75 4.18 4.52 2qt6A1 ILE 221 HB -0.75 -0.01 0.14 -0.04 1.89 1.23 2qt6A1 ILE 221 HG12 -0.05 0.02 -0.19 -0.04 1.49 1.23 2qt6A1 ILE 221 HG13 -0.02 -0.03 -0.26 -0.04 1.21 0.86 2qt6A1 ILE 221 HG23 -0.18 0.05 -0.19 -0.04 0.93 0.56 2qt6A1 ILE 221 HD13 -0.03 -0.02 -0.13 -0.04 0.88 0.67 2qt6A1 GLU 222 H 0.11 0.28 0.29 -0.55 8.60 8.74 2qt6A1 GLU 222 HA 0.08 0.26 0.72 -0.75 4.29 4.59 2qt6A1 GLU 222 HB2 0.06 0.10 -0.23 -0.04 2.09 1.98 2qt6A1 GLU 222 HB3 -0.00 -0.23 0.02 -0.04 1.99 1.74 2qt6A1 GLU 222 HG2 -0.07 0.07 -0.34 -0.04 2.34 1.97 2qt6A1 GLU 222 HG3 -0.01 0.10 -0.38 -0.04 2.34 2.01 2qt6A1 ALA 223 H -0.01 0.79 0.25 -0.55 8.40 8.90 2qt6A1 ALA 223 HA -0.35 0.23 0.98 -0.75 4.34 4.45 2qt6A1 ALA 223 HB3 -0.06 0.02 0.11 -0.04 1.41 1.44 2qt6A1 ASP 224 H -0.39 0.68 0.33 -0.55 8.40 8.48 2qt6A1 ASP 224 HA -0.29 0.09 0.47 -0.75 4.63 4.13 2qt6A1 ASP 224 HB2 -0.14 0.12 0.17 -0.04 2.71 2.82 2qt6A1 ASP 224 HB3 -0.11 0.06 0.33 -0.04 2.70 2.94 2qt6A1 GLY 225 H -0.37 -0.03 -0.21 -0.55 8.43 7.28 2qt6A1 GLY 225 HA2 -0.62 -0.25 0.25 -0.51 4.01 2.88 2qt6A1 GLY 225 HA3 -0.40 0.21 0.44 -0.51 4.01 3.75 2qt6A1 VAL 226 H -0.08 0.56 -0.32 -0.55 8.24 7.85 2qt6A1 VAL 226 HA 0.03 0.13 0.81 -0.75 4.13 4.34 2qt6A1 VAL 226 HB 0.05 0.18 0.21 -0.04 2.12 2.52 2qt6A1 VAL 226 HG13 0.08 0.01 0.00 -0.04 0.97 1.03 2qt6A1 VAL 226 HG23 0.09 0.01 -0.10 -0.04 0.95 0.92 2qt6A1 SER 227 H 0.04 0.15 0.26 -0.55 8.46 8.37 2qt6A1 SER 227 HA 0.13 0.11 0.76 -0.75 4.49 4.73 2qt6A1 SER 227 HB2 0.01 -0.09 0.18 -0.04 3.95 4.01 2qt6A1 SER 227 HB3 0.05 0.11 0.14 -0.04 3.93 4.19 2qt6A1 THR 228 H 0.23 0.60 0.11 -0.55 8.28 8.67 2qt6A1 THR 228 HA 0.14 0.13 0.99 -0.75 4.39 4.89 2qt6A1 THR 228 HB 0.12 0.07 0.09 -0.04 4.32 4.56 2qt6A1 THR 228 HG23 0.10 -0.02 -0.22 -0.04 1.22 1.05 2qt6A1 GLN 229 H 0.16 0.59 0.11 -0.55 8.47 8.78 2qt6A1 GLN 229 HA 0.18 0.04 0.61 -0.75 4.36 4.43 2qt6A1 GLN 229 HB2 0.18 -0.02 0.09 -0.04 2.15 2.35 2qt6A1 GLN 229 HB3 0.12 0.01 0.04 -0.04 2.02 2.15 2qt6A1 GLN 229 HG2 0.10 -0.03 0.03 -0.04 2.40 2.46 2qt6A1 GLN 229 HG3 0.14 0.15 -0.24 -0.04 2.39 2.40 2qt6A1 GLN 229 HE21 0.03 -0.09 -0.03 -0.04 6.97 6.84 2qt6A1 GLN 229 HE22 0.06 0.04 -0.01 -0.04 7.69 7.74 2qt6A1 PRO 230 HA 0.03 0.36 0.55 -0.51 4.44 4.87 2qt6A1 PRO 230 HB2 0.05 -0.05 0.06 -0.04 2.28 2.29 2qt6A1 PRO 230 HB3 0.01 -0.02 0.01 -0.04 2.02 1.97 2qt6A1 PRO 230 HG2 0.08 -0.02 0.09 -0.04 2.03 2.14 2qt6A1 PRO 230 HG3 -0.03 0.06 0.10 -0.04 2.03 2.12 2qt6A1 PRO 230 HD2 0.11 0.04 0.22 -0.04 3.68 4.01 2qt6A1 PRO 230 HD3 0.23 0.14 0.31 -0.04 3.65 4.29 2qt6A1 VAL 231 H 0.04 0.47 0.31 -0.55 8.24 8.50 2qt6A1 VAL 231 HA 0.04 0.10 0.72 -0.75 4.13 4.23 2qt6A1 VAL 231 HB 0.06 0.20 0.03 -0.04 2.12 2.36 2qt6A1 VAL 231 HG13 0.02 -0.00 0.06 -0.04 0.97 1.01 2qt6A1 VAL 231 HG23 0.02 -0.03 -0.09 -0.04 0.95 0.81 2qt6A1 THR 232 H 0.02 0.17 0.13 -0.55 8.28 8.07 2qt6A1 THR 232 HA 0.02 0.27 1.00 -0.75 4.39 4.92 2qt6A1 THR 232 HB 0.02 -0.02 0.13 -0.04 4.32 4.41 2qt6A1 THR 232 HG23 0.02 -0.01 -0.16 -0.04 1.22 1.02 2qt6A1 VAL 233 H -0.02 0.76 0.46 -0.55 8.24 8.90 2qt6A1 VAL 233 HA -0.02 0.12 0.88 -0.75 4.13 4.35 2qt6A1 VAL 233 HB -0.06 0.04 0.17 -0.04 2.12 2.23 2qt6A1 VAL 233 HG13 -0.03 -0.02 -0.31 -0.04 0.97 0.57 2qt6A1 VAL 233 HG23 -0.10 0.03 -0.09 -0.04 0.95 0.75 2qt6A1 ASP 234 H -0.04 0.46 0.40 -0.55 8.40 8.67 2qt6A1 ASP 234 HA -0.06 0.19 1.07 -0.75 4.63 5.08 2qt6A1 ASP 234 HB2 -0.04 -0.01 0.12 -0.04 2.71 2.74 2qt6A1 ASP 234 HB3 -0.05 -0.03 0.12 -0.04 2.70 2.69 2qt6A1 SER 235 H -0.06 0.46 0.37 -0.55 8.46 8.67 2qt6A1 SER 235 HA -0.08 0.41 0.97 -0.75 4.49 5.04 2qt6A1 SER 235 HB2 -0.04 0.02 -0.08 -0.04 3.95 3.80 2qt6A1 SER 235 HB3 -0.06 0.00 -0.20 -0.04 3.93 3.62 2qt6A1 ILE 236 H -0.01 0.66 0.32 -0.55 8.25 8.67 2qt6A1 ILE 236 HA -0.15 0.07 0.89 -0.75 4.18 4.24 2qt6A1 ILE 236 HB -0.09 0.00 0.06 -0.04 1.89 1.81 2qt6A1 ILE 236 HG12 -0.30 0.03 -0.11 -0.04 1.49 1.07 2qt6A1 ILE 236 HG13 -0.18 -0.07 -0.51 -0.04 1.21 0.40 2qt6A1 ILE 236 HG23 -0.50 0.00 -0.25 -0.04 0.93 0.14 2qt6A1 ILE 236 HD13 -0.30 0.01 -0.17 -0.04 0.88 0.38 2qt6A1 GLN 237 H -0.06 0.21 0.13 -0.55 8.47 8.20 2qt6A1 GLN 237 HA -0.09 0.31 1.02 -0.75 4.36 4.85 2qt6A1 GLN 237 HB2 -0.07 -0.02 0.01 -0.04 2.15 2.02 2qt6A1 GLN 237 HB3 -0.03 -0.01 0.13 -0.04 2.02 2.08 2qt6A1 GLN 237 HG2 -0.83 -0.04 -0.35 -0.04 2.40 1.15 2qt6A1 GLN 237 HG3 -0.32 0.04 -0.24 -0.04 2.39 1.84 2qt6A1 GLN 237 HE21 0.01 -0.00 -0.07 -0.04 6.97 6.86 2qt6A1 GLN 237 HE22 -0.24 0.01 -0.15 -0.04 7.69 7.27 2qt6A1 ILE 238 H -0.10 0.80 0.26 -0.55 8.25 8.65 2qt6A1 ILE 238 HA 0.16 0.10 0.83 -0.75 4.18 4.52 2qt6A1 ILE 238 HB 0.12 -0.01 -0.21 -0.04 1.89 1.74 2qt6A1 ILE 238 HG12 -0.02 0.13 -0.19 -0.04 1.49 1.37 2qt6A1 ILE 238 HG13 0.12 -0.05 -0.13 -0.04 1.21 1.11 2qt6A1 ILE 238 HG23 0.03 0.03 -0.01 -0.04 0.93 0.93 2qt6A1 ILE 238 HD13 -0.05 0.03 -0.29 -0.04 0.88 0.54 2qt6A1 PHE 239 H 0.29 0.14 0.09 -0.55 8.34 8.30 2qt6A1 PHE 239 HA -0.02 0.08 0.74 -0.75 4.62 4.67 2qt6A1 PHE 239 HB2 0.00 0.02 -0.04 -0.04 3.15 3.09 2qt6A1 PHE 239 HB3 0.00 0.06 0.03 -0.04 3.06 3.11 2qt6A1 PHE 239 HD2 0.03 0.08 0.01 -0.04 7.28 7.36 2qt6A1 PHE 239 HE2 0.03 0.05 -0.03 -0.04 7.38 7.39 2qt6A1 PHE 239 HZ 0.02 -0.00 -0.05 -0.04 7.32 7.24 2qt6A1 ALA 240 H 0.14 0.15 0.02 -0.55 8.40 8.16 2qt6A1 ALA 240 HA -0.06 -0.08 0.26 -0.75 4.34 3.71 2qt6A1 ALA 240 HB3 0.09 0.09 -0.13 -0.04 1.41 1.41 2qt6A1 ALA 241 H -0.36 0.06 0.14 -0.55 8.40 7.69 2qt6A1 ALA 241 HA -0.63 0.24 0.39 -0.75 4.34 3.58 2qt6A1 ALA 241 HB3 -0.69 0.05 -0.06 -0.04 1.41 0.67 2qt6A1 GLN 242 H -0.16 0.43 -0.45 -0.55 8.47 7.74 2qt6A1 GLN 242 HA -0.20 0.07 0.70 -0.75 4.36 4.18 2qt6A1 GLN 242 HB2 -0.04 0.06 0.05 -0.04 2.15 2.18 2qt6A1 GLN 242 HB3 -0.23 -0.03 0.07 -0.04 2.02 1.79 2qt6A1 GLN 242 HG2 -0.07 0.03 0.08 -0.04 2.40 2.40 2qt6A1 GLN 242 HG3 0.01 0.09 -0.18 -0.04 2.39 2.27 2qt6A1 GLN 242 HE21 0.11 -0.16 0.05 -0.04 6.97 6.93 2qt6A1 GLN 242 HE22 0.04 0.55 -0.07 -0.04 7.69 8.16 2qt6A1 ARG 243 H -0.37 0.13 0.32 -0.55 8.46 7.99 2qt6A1 ARG 243 HA -0.25 0.32 0.89 -0.75 4.34 4.55 2qt6A1 ARG 243 HB2 -0.32 -0.14 0.10 -0.04 1.90 1.50 2qt6A1 ARG 243 HB3 -0.25 -0.01 -0.05 -0.04 1.80 1.45 2qt6A1 ARG 243 HG2 -0.21 0.00 -0.42 -0.04 1.67 1.00 2qt6A1 ARG 243 HG3 -0.32 0.01 -0.08 -0.04 1.67 1.24 2qt6A1 ARG 243 HD2 -0.10 0.05 -0.28 -0.04 3.22 2.85 2qt6A1 ARG 243 HD3 -0.27 -0.20 -0.57 -0.04 3.22 2.15 2qt6A1 TYR 244 H -0.04 0.66 0.33 -0.55 8.29 8.70 2qt6A1 TYR 244 HA -0.06 0.26 0.80 -0.75 4.56 4.80 2qt6A1 TYR 244 HB2 -0.02 -0.06 0.04 -0.04 3.06 2.98 2qt6A1 TYR 244 HB3 0.05 0.06 -0.03 -0.04 2.98 3.01 2qt6A1 TYR 244 HD2 -0.03 0.08 -0.00 -0.04 7.15 7.15 2qt6A1 TYR 244 HE2 0.00 -0.00 -0.02 -0.04 6.85 6.79 2qt6A1 SER 245 H 0.07 0.30 0.25 -0.55 8.46 8.53 2qt6A1 SER 245 HA -0.09 0.35 1.10 -0.75 4.49 5.09 2qt6A1 SER 245 HB2 -0.02 -0.11 0.03 -0.04 3.95 3.81 2qt6A1 SER 245 HB3 -0.12 0.06 -0.11 -0.04 3.93 3.72 2qt6A1 PHE 246 H -0.41 0.71 0.28 -0.55 8.34 8.37 2qt6A1 PHE 246 HA 0.00 0.25 0.64 -0.75 4.62 4.76 2qt6A1 PHE 246 HB2 0.04 -0.07 -0.24 -0.04 3.15 2.84 2qt6A1 PHE 246 HB3 -0.00 -0.01 -0.23 -0.04 3.06 2.78 2qt6A1 PHE 246 HD2 0.05 0.02 -0.40 -0.04 7.28 6.91 2qt6A1 PHE 246 HE2 -0.10 -0.01 -0.17 -0.04 7.38 7.06 2qt6A1 PHE 246 HZ -0.01 0.01 -0.17 -0.04 7.32 7.12 2qt6A1 VAL 247 H 0.16 0.69 0.31 -0.55 8.24 8.85 2qt6A1 VAL 247 HA 0.01 0.39 1.06 -0.75 4.13 4.83 2qt6A1 VAL 247 HB 0.10 -0.07 0.19 -0.04 2.12 2.29 2qt6A1 VAL 247 HG13 0.11 0.01 -0.13 -0.04 0.97 0.92 2qt6A1 VAL 247 HG23 0.07 0.00 -0.09 -0.04 0.95 0.89 2qt6A1 LEU 248 H 0.18 0.56 0.37 -0.55 8.37 8.93 2qt6A1 LEU 248 HA 0.29 0.25 0.85 -0.75 4.35 4.98 2qt6A1 LEU 248 HB2 0.65 0.02 -0.03 -0.04 1.64 2.25 2qt6A1 LEU 248 HB3 0.54 -0.04 0.12 -0.04 1.64 2.21 2qt6A1 LEU 248 HG 0.27 0.07 -0.05 -0.04 1.64 1.89 2qt6A1 LEU 248 HD13 -0.03 0.00 -0.12 -0.04 0.93 0.75 2qt6A1 LEU 248 HD23 0.15 -0.03 -0.41 -0.04 0.89 0.56 2qt6A1 ASN 249 H 0.19 0.24 0.11 -0.55 8.53 8.53 2qt6A1 ASN 249 HA 0.15 0.16 0.87 -0.75 4.76 5.19 2qt6A1 ASN 249 HB2 0.10 0.04 0.05 -0.04 2.88 3.03 2qt6A1 ASN 249 HB3 0.10 -0.04 0.19 -0.04 2.79 3.00 2qt6A1 ASN 249 HD21 0.05 0.02 -0.06 -0.04 7.03 7.00 2qt6A1 ASN 249 HD22 0.05 -0.01 -0.01 -0.04 7.74 7.72 2qt6A1 ALA 250 H 0.20 0.77 0.17 -0.55 8.40 8.98 2qt6A1 ALA 250 HA 0.26 0.07 0.56 -0.75 4.34 4.48 2qt6A1 ALA 250 HB3 -0.11 0.01 0.05 -0.04 1.41 1.33 2qt6A1 ASN 251 H 0.17 0.48 -0.01 -0.55 8.53 8.63 2qt6A1 ASN 251 HA 0.13 0.16 0.86 -0.75 4.76 5.16 2qt6A1 ASN 251 HB2 0.05 0.00 0.12 -0.04 2.88 3.01 2qt6A1 ASN 251 HB3 0.08 -0.04 -0.17 -0.04 2.79 2.62 2qt6A1 ASN 251 HD21 0.01 -0.02 0.01 -0.04 7.03 6.99 2qt6A1 ASN 251 HD22 0.03 -0.01 -0.01 -0.04 7.74 7.71 2qt6A1 GLN 252 H 0.21 0.02 -0.13 -0.55 8.47 8.03 2qt6A1 GLN 252 HA -0.08 0.15 0.73 -0.75 4.36 4.41 2qt6A1 GLN 252 HB2 -0.36 0.05 -0.01 -0.04 2.15 1.79 2qt6A1 GLN 252 HB3 -0.18 -0.08 0.14 -0.04 2.02 1.87 2qt6A1 GLN 252 HG2 -0.57 -0.13 0.02 -0.04 2.40 1.68 2qt6A1 GLN 252 HG3 -1.14 0.10 -0.01 -0.04 2.39 1.31 2qt6A1 GLN 252 HE21 -0.11 -0.03 -0.00 -0.04 6.97 6.78 2qt6A1 GLN 252 HE22 -0.17 -0.10 -0.12 -0.04 7.69 7.26 2qt6A1 ASP 253 H -0.03 0.07 0.08 -0.55 8.40 7.98 2qt6A1 ASP 253 HA -0.06 0.06 0.43 -0.75 4.63 4.31 2qt6A1 ASP 253 HB2 -0.03 -0.04 -0.04 -0.04 2.71 2.56 2qt6A1 ASP 253 HB3 -0.07 0.12 -0.11 -0.04 2.70 2.59 2qt6A1 VAL 254 H -0.07 0.10 0.13 -0.55 8.24 7.84 2qt6A1 VAL 254 HA -0.24 0.02 0.45 -0.75 4.13 3.61 2qt6A1 VAL 254 HB -0.01 -0.05 0.15 -0.04 2.12 2.17 2qt6A1 VAL 254 HG13 0.06 0.02 -0.28 -0.04 0.97 0.73 2qt6A1 VAL 254 HG23 0.11 -0.01 0.08 -0.04 0.95 1.09 2qt6A1 ASP 255 H -0.16 0.26 0.31 -0.55 8.40 8.27 2qt6A1 ASP 255 HA -0.17 0.04 0.56 -0.75 4.63 4.32 2qt6A1 ASP 255 HB2 -0.24 0.02 -0.74 -0.04 2.71 1.71 2qt6A1 ASP 255 HB3 -0.82 0.03 -0.18 -0.04 2.70 1.69 2qt6A1 ASN 256 H -0.38 0.15 0.18 -0.55 8.53 7.93 2qt6A1 ASN 256 HA -0.11 0.33 1.01 -0.75 4.76 5.24 2qt6A1 ASN 256 HB2 -0.32 -0.09 0.02 -0.04 2.88 2.45 2qt6A1 ASN 256 HB3 -0.35 0.03 -0.08 -0.04 2.79 2.35 2qt6A1 ASN 256 HD21 -0.10 0.47 -0.00 -0.04 7.03 7.36 2qt6A1 ASN 256 HD22 -0.17 -0.16 -0.05 -0.04 7.74 7.32 2qt6A1 TYR 257 H 0.02 0.73 0.35 -0.55 8.29 8.83 2qt6A1 TYR 257 HA -0.15 0.03 0.98 -0.75 4.56 4.65 2qt6A1 TYR 257 HB2 -0.02 -0.01 0.07 -0.04 3.06 3.05 2qt6A1 TYR 257 HB3 0.04 0.08 0.04 -0.04 2.98 3.10 2qt6A1 TYR 257 HD2 0.10 0.04 -0.14 -0.04 7.15 7.11 2qt6A1 TYR 257 HE2 -0.30 0.01 -0.10 -0.04 6.85 6.42 2qt6A1 TRP 258 H 0.08 0.04 0.15 -0.55 7.97 7.69 2qt6A1 TRP 258 HA -0.08 0.27 0.73 -0.75 4.62 4.79 2qt6A1 TRP 258 HB2 -0.15 -0.14 0.07 -0.04 3.23 2.97 2qt6A1 TRP 258 HB3 -0.21 0.11 -0.09 -0.04 3.23 3.00 2qt6A1 TRP 258 HD1 -0.10 0.13 -0.08 -0.04 7.22 7.13 2qt6A1 TRP 258 HE1 -0.06 0.04 -0.20 -0.04 10.20 9.94 2qt6A1 TRP 258 HE3 -0.07 0.27 0.12 -0.04 7.59 7.86 2qt6A1 TRP 258 HZ2 -0.03 0.01 -0.03 -0.04 7.44 7.35 2qt6A1 TRP 258 HZ3 -0.03 0.05 -0.11 -0.04 7.13 7.01 2qt6A1 TRP 258 HH2 -0.02 0.02 -0.04 -0.04 7.19 7.12 2qt6A1 ILE 259 H 0.18 0.72 0.34 -0.55 8.25 8.94 2qt6A1 ILE 259 HA -0.22 0.15 0.88 -0.75 4.18 4.24 2qt6A1 ILE 259 HB -0.00 -0.10 -0.03 -0.04 1.89 1.71 2qt6A1 ILE 259 HG12 -0.14 0.02 -0.08 -0.04 1.49 1.25 2qt6A1 ILE 259 HG13 -0.05 -0.04 -0.22 -0.04 1.21 0.87 2qt6A1 ILE 259 HG23 -0.17 0.01 -0.22 -0.04 0.93 0.51 2qt6A1 ILE 259 HD13 -0.09 -0.00 -0.28 -0.04 0.88 0.47 2qt6A1 ARG 260 H -0.45 0.74 0.34 -0.55 8.46 8.54 2qt6A1 ARG 260 HA -0.15 0.35 1.00 -0.75 4.34 4.78 2qt6A1 ARG 260 HB2 -0.34 -0.10 0.07 -0.04 1.90 1.50 2qt6A1 ARG 260 HB3 -0.36 0.03 -0.03 -0.04 1.80 1.39 2qt6A1 ARG 260 HG2 -0.93 0.13 -0.19 -0.04 1.67 0.64 2qt6A1 ARG 260 HG3 -0.34 -0.07 -0.41 -0.04 1.67 0.81 2qt6A1 ARG 260 HD2 -0.45 -0.06 -0.13 -0.04 3.22 2.54 2qt6A1 ARG 260 HD3 -1.44 0.02 -0.10 -0.04 3.22 1.66 2qt6A1 ALA 261 H 0.12 0.86 0.16 -0.55 8.40 8.99 2qt6A1 ALA 261 HA 0.11 0.14 0.60 -0.75 4.34 4.44 2qt6A1 ALA 261 HB3 -0.03 -0.02 -0.12 -0.04 1.41 1.20 2qt6A1 ASN 262 H 0.15 0.60 0.14 -0.55 8.53 8.87 2qt6A1 ASN 262 HA -0.05 0.22 0.67 -0.75 4.76 4.85 2qt6A1 ASN 262 HB2 0.20 0.01 0.09 -0.04 2.88 3.13 2qt6A1 ASN 262 HB3 0.01 -0.08 0.17 -0.04 2.79 2.86 2qt6A1 ASN 262 HD21 -0.23 -0.08 0.02 -0.04 7.03 6.70 2qt6A1 ASN 262 HD22 -0.03 0.00 -0.01 -0.04 7.74 7.66 2qt6A1 PRO 263 HA -0.41 0.33 0.63 -0.51 4.44 4.47 2qt6A1 PRO 263 HB2 -0.41 0.02 0.10 -0.04 2.28 1.95 2qt6A1 PRO 263 HB3 -0.27 -0.04 0.08 -0.04 2.02 1.74 2qt6A1 PRO 263 HG2 -0.17 -0.01 -0.18 -0.04 2.03 1.63 2qt6A1 PRO 263 HG3 -0.10 0.02 0.06 -0.04 2.03 1.96 2qt6A1 PRO 263 HD2 -0.14 0.02 0.31 -0.04 3.68 3.84 2qt6A1 PRO 263 HD3 0.06 0.24 0.31 -0.04 3.65 4.23 2qt6A1 ASN 264 H -0.32 0.20 0.28 -0.55 8.53 8.14 2qt6A1 ASN 264 HA -0.06 0.11 0.46 -0.75 4.76 4.52 2qt6A1 ASN 264 HB2 0.08 0.02 0.10 -0.04 2.88 3.03 2qt6A1 ASN 264 HB3 -0.06 -0.02 0.08 -0.04 2.79 2.75 2qt6A1 ASN 264 HD21 0.38 0.05 -0.04 -0.04 7.03 7.38 2qt6A1 ASN 264 HD22 0.21 0.05 -0.03 -0.04 7.74 7.93 2qt6A1 PHE 265 H -0.41 0.17 -0.11 -0.55 8.34 7.44 2qt6A1 PHE 265 HA -0.06 0.13 0.37 -0.75 4.62 4.31 2qt6A1 PHE 265 HB2 -0.04 0.00 0.16 -0.04 3.15 3.23 2qt6A1 PHE 265 HB3 -0.04 0.12 -0.07 -0.04 3.06 3.03 2qt6A1 PHE 265 HD2 -0.04 0.15 -0.18 -0.04 7.28 7.17 2qt6A1 PHE 265 HE2 0.00 0.01 -0.33 -0.04 7.38 7.02 2qt6A1 PHE 265 HZ 0.04 -0.01 -0.17 -0.04 7.32 7.14 2qt6A1 GLY 266 H 0.16 0.21 0.17 -0.55 8.43 8.42 2qt6A1 GLY 266 HA2 0.02 0.07 0.33 -0.51 4.01 3.92 2qt6A1 GLY 266 HA3 -0.14 0.08 0.93 -0.51 4.01 4.37 2qt6A1 THR 267 H -0.11 0.21 0.07 -0.55 8.28 7.90 2qt6A1 THR 267 HA -0.08 0.06 0.72 -0.75 4.39 4.34 2qt6A1 THR 267 HB -0.10 0.00 0.15 -0.04 4.32 4.33 2qt6A1 THR 267 HG23 -0.10 0.01 -0.12 -0.04 1.22 0.97 2qt6A1 THR 268 H -0.11 0.12 0.06 -0.55 8.28 7.81 2qt6A1 THR 268 HA -0.21 0.25 0.78 -0.75 4.39 4.46 2qt6A1 THR 268 HB -0.17 -0.05 0.03 -0.04 4.32 4.09 2qt6A1 THR 268 HG23 -0.09 0.07 -0.36 -0.04 1.22 0.81 2qt6A1 GLY 269 H -0.51 0.12 0.10 -0.55 8.43 7.60 2qt6A1 GLY 269 HA2 -0.86 0.02 0.29 -0.51 4.01 2.95 2qt6A1 GLY 269 HA3 -0.36 0.03 0.51 -0.51 4.01 3.68 2qt6A1 PHE 270 H -0.18 0.03 0.12 -0.55 8.34 7.76 2qt6A1 PHE 270 HA -0.21 0.49 0.72 -0.75 4.62 4.87 2qt6A1 PHE 270 HB2 -0.29 -0.07 0.00 -0.04 3.15 2.75 2qt6A1 PHE 270 HB3 -0.47 0.07 0.04 -0.04 3.06 2.66 2qt6A1 PHE 270 HD2 -0.20 0.15 -0.12 -0.04 7.28 7.07 2qt6A1 PHE 270 HE2 -0.12 0.01 -0.08 -0.04 7.38 7.15 2qt6A1 PHE 270 HZ -0.10 -0.01 -0.09 -0.04 7.32 7.08 2qt6A1 ALA 271 H -0.11 0.13 -0.00 -0.55 8.40 7.87 2qt6A1 ALA 271 HA -0.05 0.01 0.37 -0.75 4.34 3.92 2qt6A1 ALA 271 HB3 -0.05 0.02 0.08 -0.04 1.41 1.42 2qt6A1 ASP 272 H -0.03 0.10 0.22 -0.55 8.40 8.15 2qt6A1 ASP 272 HA 0.01 0.01 0.35 -0.75 4.63 4.25 2qt6A1 ASP 272 HB2 -0.01 0.11 -0.11 -0.04 2.71 2.66 2qt6A1 ASP 272 HB3 0.01 0.13 0.26 -0.04 2.70 3.06 2qt6A1 GLY 273 H -0.15 0.44 -0.43 -0.55 8.43 7.74 2qt6A1 GLY 273 HA2 -0.51 0.00 0.24 -0.51 4.01 3.23 2qt6A1 GLY 273 HA3 -0.06 0.09 0.47 -0.51 4.01 4.00 2qt6A1 VAL 274 H -0.07 0.30 -0.43 -0.55 8.24 7.49 2qt6A1 VAL 274 HA -0.02 0.04 0.61 -0.75 4.13 4.00 2qt6A1 VAL 274 HB -0.06 -0.03 0.06 -0.04 2.12 2.05 2qt6A1 VAL 274 HG13 -0.03 0.01 -0.28 -0.04 0.97 0.63 2qt6A1 VAL 274 HG23 -0.12 0.05 -0.27 -0.04 0.95 0.57 2qt6A1 ASN 275 H -0.02 0.11 0.28 -0.55 8.53 8.35 2qt6A1 ASN 275 HA 0.00 -0.01 0.40 -0.75 4.76 4.40 2qt6A1 ASN 275 HB2 -0.10 0.26 -0.17 -0.04 2.88 2.84 2qt6A1 ASN 275 HB3 0.03 0.02 0.15 -0.04 2.79 2.95 2qt6A1 ASN 275 HD21 -0.17 0.50 0.02 -0.04 7.03 7.34 2qt6A1 ASN 275 HD22 -0.36 0.34 -0.12 -0.04 7.74 7.56 2qt6A1 SER 276 H 0.01 0.20 -0.06 -0.55 8.46 8.06 2qt6A1 SER 276 HA 0.00 0.24 1.11 -0.75 4.49 5.08 2qt6A1 SER 276 HB2 -0.09 0.21 -0.06 -0.04 3.95 3.97 2qt6A1 SER 276 HB3 -0.02 -0.03 0.08 -0.04 3.93 3.92 2qt6A1 ALA 277 H 0.12 0.56 0.40 -0.55 8.40 8.93 2qt6A1 ALA 277 HA 0.13 0.16 0.52 -0.75 4.34 4.40 2qt6A1 ALA 277 HB3 0.03 0.01 0.06 -0.04 1.41 1.47 2qt6A1 ILE 278 H 0.02 0.64 0.27 -0.55 8.25 8.63 2qt6A1 ILE 278 HA -0.05 0.16 1.02 -0.75 4.18 4.55 2qt6A1 ILE 278 HB -0.05 0.02 0.14 -0.04 1.89 1.96 2qt6A1 ILE 278 HG12 -0.31 -0.00 -0.16 -0.04 1.49 0.98 2qt6A1 ILE 278 HG13 0.04 -0.03 -0.27 -0.04 1.21 0.90 2qt6A1 ILE 278 HG23 -0.18 -0.01 -0.23 -0.04 0.93 0.46 2qt6A1 ILE 278 HD13 -0.10 0.03 -0.15 -0.04 0.88 0.62 2qt6A1 LEU 279 H -0.03 0.74 0.32 -0.55 8.37 8.86 2qt6A1 LEU 279 HA -0.07 0.23 0.94 -0.75 4.35 4.70 2qt6A1 LEU 279 HB2 -0.11 -0.02 0.02 -0.04 1.64 1.49 2qt6A1 LEU 279 HB3 0.06 -0.07 0.19 -0.04 1.64 1.78 2qt6A1 LEU 279 HG -0.06 0.02 -0.26 -0.04 1.64 1.30 2qt6A1 LEU 279 HD13 -0.25 0.02 -0.12 -0.04 0.93 0.53 2qt6A1 LEU 279 HD23 -0.45 -0.02 -0.13 -0.04 0.89 0.25 2qt6A1 ARG 280 H -0.03 0.71 0.23 -0.55 8.46 8.82 2qt6A1 ARG 280 HA 0.07 0.17 1.00 -0.75 4.34 4.83 2qt6A1 ARG 280 HB2 -0.03 -0.01 -0.12 -0.04 1.90 1.69 2qt6A1 ARG 280 HB3 -0.01 -0.05 0.02 -0.04 1.80 1.72 2qt6A1 ARG 280 HG2 0.02 0.02 -0.33 -0.04 1.67 1.34 2qt6A1 ARG 280 HG3 -0.00 0.02 -0.09 -0.04 1.67 1.56 2qt6A1 ARG 280 HD2 -0.02 -0.07 -0.12 -0.04 3.22 2.97 2qt6A1 ARG 280 HD3 -0.02 0.06 -0.22 -0.04 3.22 3.00 2qt6A1 TYR 281 H 0.38 0.56 0.29 -0.55 8.29 8.98 2qt6A1 TYR 281 HA 0.02 0.15 0.73 -0.75 4.56 4.71 2qt6A1 TYR 281 HB2 0.07 -0.13 0.25 -0.04 3.06 3.21 2qt6A1 TYR 281 HB3 0.06 0.09 0.05 -0.04 2.98 3.14 2qt6A1 TYR 281 HD2 0.14 0.02 -0.05 -0.04 7.15 7.22 2qt6A1 TYR 281 HE2 0.00 0.06 -0.19 -0.04 6.85 6.67 2qt6A1 ASP 282 H 0.04 0.57 0.46 -0.55 8.40 8.92 2qt6A1 ASP 282 HA 0.04 0.05 0.53 -0.75 4.63 4.49 2qt6A1 ASP 282 HB2 0.06 -0.10 0.22 -0.04 2.71 2.85 2qt6A1 ASP 282 HB3 0.04 0.00 0.04 -0.04 2.70 2.74 2qt6A1 ASP 283 H 0.03 0.15 0.17 -0.55 8.40 8.21 2qt6A1 ASP 283 HA 0.02 -0.00 0.32 -0.75 4.63 4.21 2qt6A1 ASP 283 HB2 0.06 0.29 0.37 -0.04 2.71 3.39 2qt6A1 ASP 283 HB3 0.03 -0.05 0.15 -0.04 2.70 2.79 2qt6A1 ALA 284 H 0.05 0.50 -0.37 -0.55 8.40 8.03 2qt6A1 ALA 284 HA -0.01 0.05 0.58 -0.75 4.34 4.21 2qt6A1 ALA 284 HB3 0.00 -0.01 -0.10 -0.04 1.41 1.26 2qt6A1 ASP 285 H -0.04 0.04 0.09 -0.55 8.40 7.94 2qt6A1 ASP 285 HA -0.02 0.12 0.35 -0.75 4.63 4.32 2qt6A1 ASP 285 HB2 -0.06 -0.05 0.06 -0.04 2.71 2.62 2qt6A1 ASP 285 HB3 -0.04 0.05 -0.02 -0.04 2.70 2.64 2qt6A1 PRO 286 HA -0.05 0.19 0.58 -0.51 4.44 4.66 2qt6A1 PRO 286 HB2 -0.02 0.02 0.18 -0.04 2.28 2.42 2qt6A1 PRO 286 HB3 -0.02 0.03 0.07 -0.04 2.02 2.06 2qt6A1 PRO 286 HG2 -0.02 0.01 0.08 -0.04 2.03 2.06 2qt6A1 PRO 286 HG3 -0.02 0.01 0.07 -0.04 2.03 2.06 2qt6A1 PRO 286 HD2 -0.03 0.04 0.10 -0.04 3.68 3.76 2qt6A1 PRO 286 HD3 -0.02 0.14 0.15 -0.04 3.65 3.88 2qt6A1 VAL 287 H -0.09 0.47 -0.27 -0.55 8.24 7.81 2qt6A1 VAL 287 HA -0.07 0.19 0.85 -0.75 4.13 4.35 2qt6A1 VAL 287 HB -0.08 -0.00 0.05 -0.04 2.12 2.05 2qt6A1 VAL 287 HG13 -0.05 -0.03 -0.23 -0.04 0.97 0.62 2qt6A1 VAL 287 HG23 -0.12 0.02 -0.20 -0.04 0.95 0.62 2qt6A1 GLU 288 H -0.10 0.08 0.08 -0.55 8.60 8.12 2qt6A1 GLU 288 HA -0.34 0.11 0.44 -0.75 4.29 3.75 2qt6A1 GLU 288 HB2 -0.07 -0.08 0.06 -0.04 2.09 1.96 2qt6A1 GLU 288 HB3 -0.24 0.15 0.01 -0.04 1.99 1.86 2qt6A1 GLU 288 HG2 -0.01 0.04 -0.01 -0.04 2.34 2.33 2qt6A1 GLU 288 HG3 -0.01 -0.07 0.03 -0.04 2.34 2.25 2qt6A1 PRO 289 HA -0.52 0.09 0.51 -0.51 4.44 4.01 2qt6A1 PRO 289 HB2 -2.58 0.02 -0.12 -0.04 2.28 -0.43 2qt6A1 PRO 289 HB3 -0.78 -0.01 -0.17 -0.04 2.02 1.01 2qt6A1 PRO 289 HG2 -1.11 0.10 -0.30 -0.04 2.03 0.68 2qt6A1 PRO 289 HG3 -0.62 0.01 -0.27 -0.04 2.03 1.11 2qt6A1 PRO 289 HD2 -2.40 0.13 0.09 -0.04 3.68 1.46 2qt6A1 PRO 289 HD3 -0.73 0.19 0.12 -0.04 3.65 3.19 2qt6A1 VAL 290 H -0.28 0.14 0.17 -0.55 8.24 7.72 2qt6A1 VAL 290 HA 0.13 0.22 0.61 -0.75 4.13 4.33 2qt6A1 VAL 290 HB 0.01 -0.03 0.19 -0.04 2.12 2.25 2qt6A1 VAL 290 HG13 -0.03 0.03 -0.13 -0.04 0.97 0.80 2qt6A1 VAL 290 HG23 -0.09 -0.01 -0.01 -0.04 0.95 0.79 2qt6A1 THR 291 H -0.18 0.02 0.07 -0.55 8.28 7.64 2qt6A1 THR 291 HA 0.00 0.10 0.50 -0.75 4.39 4.24 2qt6A1 THR 291 HB 0.09 0.04 0.13 -0.04 4.32 4.53 2qt6A1 THR 291 HG23 -0.25 0.02 0.13 -0.04 1.22 1.08 2qt6A1 ASN 292 H 0.05 0.14 0.19 -0.55 8.53 8.36 2qt6A1 ASN 292 HA 0.04 0.21 0.89 -0.75 4.76 5.14 2qt6A1 ASN 292 HB2 0.02 -0.05 0.02 -0.04 2.88 2.83 2qt6A1 ASN 292 HB3 0.01 0.10 0.03 -0.04 2.79 2.89 2qt6A1 ASN 292 HD21 0.02 0.03 -0.02 -0.04 7.03 7.01 2qt6A1 ASN 292 HD22 0.01 -0.03 -0.00 -0.04 7.74 7.68 2qt6A1 GLN 293 H -0.04 0.17 0.11 -0.55 8.47 8.16 2qt6A1 GLN 293 HA -0.03 -0.02 0.66 -0.75 4.36 4.21 2qt6A1 GLN 293 HB2 -0.05 0.07 -0.05 -0.04 2.15 2.09 2qt6A1 GLN 293 HB3 -0.09 0.00 0.00 -0.04 2.02 1.89 2qt6A1 GLN 293 HG2 -0.26 0.04 -0.05 -0.04 2.40 2.09 2qt6A1 GLN 293 HG3 -0.12 -0.06 0.11 -0.04 2.39 2.29 2qt6A1 GLN 293 HE21 0.14 -0.00 -0.03 -0.04 6.97 7.04 2qt6A1 GLN 293 HE22 -0.08 -0.00 0.00 -0.04 7.69 7.57 2qt6A1 THR 294 H -0.02 -0.06 0.23 -0.55 8.28 7.88 2qt6A1 THR 294 HA -0.01 0.30 0.95 -0.75 4.39 4.87 2qt6A1 THR 294 HB -0.01 0.02 0.07 -0.04 4.32 4.36 2qt6A1 THR 294 HG23 0.00 0.03 -0.16 -0.04 1.22 1.05 2qt6A1 GLY 295 H -0.03 -0.12 0.10 -0.55 8.43 7.84 2qt6A1 GLY 295 HA2 -0.03 -0.03 0.31 -0.51 4.01 3.75 2qt6A1 GLY 295 HA3 -0.04 0.04 0.26 -0.51 4.01 3.76 2qt6A1 THR 296 H -0.02 -0.00 0.20 -0.55 8.28 7.91 2qt6A1 THR 296 HA -0.01 0.29 0.85 -0.75 4.39 4.76 2qt6A1 THR 296 HB -0.01 0.13 0.00 -0.04 4.32 4.40 2qt6A1 THR 296 HG23 -0.01 -0.01 -0.00 -0.04 1.22 1.15 2qt6A1 THR 297 H -0.02 -0.04 0.15 -0.55 8.28 7.82 2qt6A1 THR 297 HA -0.01 0.25 0.67 -0.75 4.39 4.55 2qt6A1 THR 297 HB -0.02 -0.21 0.26 -0.04 4.32 4.31 2qt6A1 THR 297 HG23 -0.01 0.05 -0.11 -0.04 1.22 1.12 2qt6A1 LEU 298 H -0.01 0.26 0.18 -0.55 8.37 8.26 2qt6A1 LEU 298 HA -0.04 0.12 0.76 -0.75 4.35 4.44 2qt6A1 LEU 298 HB2 -0.02 -0.01 -0.04 -0.04 1.64 1.53 2qt6A1 LEU 298 HB3 -0.01 0.01 0.10 -0.04 1.64 1.70 2qt6A1 LEU 298 HG -0.01 0.26 -0.28 -0.04 1.64 1.57 2qt6A1 LEU 298 HD13 -0.03 -0.00 -0.21 -0.04 0.93 0.65 2qt6A1 LEU 298 HD23 0.00 -0.01 -0.06 -0.04 0.89 0.78 2qt6A1 LEU 299 H -0.07 0.61 0.34 -0.55 8.37 8.70 2qt6A1 LEU 299 HA -0.04 0.01 0.44 -0.75 4.35 4.02 2qt6A1 LEU 299 HB2 -0.12 0.06 0.15 -0.04 1.64 1.69 2qt6A1 LEU 299 HB3 -0.13 -0.12 0.23 -0.04 1.64 1.57 2qt6A1 LEU 299 HG -0.04 -0.04 -0.47 -0.04 1.64 1.05 2qt6A1 LEU 299 HD13 -0.04 0.00 -0.04 -0.04 0.93 0.81 2qt6A1 LEU 299 HD23 -0.30 -0.00 -0.05 -0.04 0.89 0.49 2qt6A1 LEU 300 H -0.01 0.16 0.22 -0.55 8.37 8.20 2qt6A1 LEU 300 HA 0.02 0.18 0.92 -0.75 4.35 4.72 2qt6A1 LEU 300 HB2 0.01 -0.01 0.13 -0.04 1.64 1.72 2qt6A1 LEU 300 HB3 0.01 -0.08 0.07 -0.04 1.64 1.59 2qt6A1 LEU 300 HG 0.01 0.12 0.02 -0.04 1.64 1.74 2qt6A1 LEU 300 HD13 0.01 0.00 0.01 -0.04 0.93 0.92 2qt6A1 LEU 300 HD23 0.01 0.03 0.01 -0.04 0.89 0.90 2qt6A1 GLU 301 H 0.04 0.22 0.14 -0.55 8.60 8.45 2qt6A1 GLU 301 HA 0.04 0.12 0.46 -0.75 4.29 4.15 2qt6A1 GLU 301 HB2 0.07 0.01 0.16 -0.04 2.09 2.29 2qt6A1 GLU 301 HB3 0.01 -0.01 0.13 -0.04 1.99 2.08 2qt6A1 GLU 301 HG2 -0.00 0.07 -0.04 -0.04 2.34 2.32 2qt6A1 GLU 301 HG3 0.05 0.02 0.12 -0.04 2.34 2.49 2qt6A1 THR 302 H -0.01 0.03 -0.22 -0.55 8.28 7.53 2qt6A1 THR 302 HA -0.05 0.19 0.51 -0.75 4.39 4.28 2qt6A1 THR 302 HB 0.02 0.04 0.07 -0.04 4.32 4.41 2qt6A1 THR 302 HG23 -0.03 -0.00 0.00 -0.04 1.22 1.15 2qt6A1 ASP 303 H -0.04 0.34 -0.50 -0.55 8.40 7.65 2qt6A1 ASP 303 HA 0.03 0.20 0.82 -0.75 4.63 4.93 2qt6A1 ASP 303 HB2 -0.00 0.04 0.11 -0.04 2.71 2.81 2qt6A1 ASP 303 HB3 0.04 0.01 0.13 -0.04 2.70 2.84 2qt6A1 LEU 304 H -0.17 0.33 -0.20 -0.55 8.37 7.78 2qt6A1 LEU 304 HA -0.07 0.13 0.83 -0.75 4.35 4.48 2qt6A1 LEU 304 HB2 -0.04 0.12 0.22 -0.04 1.64 1.90 2qt6A1 LEU 304 HB3 0.02 -0.01 -0.00 -0.04 1.64 1.61 2qt6A1 LEU 304 HG 0.02 -0.01 -0.02 -0.04 1.64 1.59 2qt6A1 LEU 304 HD13 0.20 -0.02 0.03 -0.04 0.93 1.09 2qt6A1 LEU 304 HD23 0.11 0.01 -0.06 -0.04 0.89 0.90 2qt6A1 HIS 305 H 0.05 0.25 0.18 -0.55 8.41 8.34 2qt6A1 HIS 305 HA 0.11 0.26 0.61 -0.75 4.63 4.86 2qt6A1 HIS 305 HB2 0.08 -0.10 -0.02 -0.04 3.26 3.18 2qt6A1 HIS 305 HB3 0.09 0.08 0.00 -0.04 3.20 3.32 2qt6A1 HIS 305 HD2 0.06 0.03 -0.16 -0.04 6.97 6.84 2qt6A1 HIS 305 HE1 0.03 -0.07 -0.03 -0.04 7.75 7.64 2qt6A1 PRO 306 HA 0.14 0.15 0.52 -0.51 4.44 4.74 2qt6A1 PRO 306 HB2 0.08 0.36 0.01 -0.04 2.28 2.70 2qt6A1 PRO 306 HB3 0.10 -0.02 0.15 -0.04 2.02 2.20 2qt6A1 PRO 306 HG2 0.24 -0.02 0.07 -0.04 2.03 2.28 2qt6A1 PRO 306 HG3 0.44 0.03 0.08 -0.04 2.03 2.54 2qt6A1 PRO 306 HD2 0.27 0.12 0.04 -0.04 3.68 4.06 2qt6A1 PRO 306 HD3 0.28 0.18 -0.12 -0.04 3.65 3.94 2qt6A1 LEU 307 H 0.08 0.59 0.14 -0.55 8.37 8.64 2qt6A1 LEU 307 HA 0.08 0.05 0.34 -0.75 4.35 4.06 2qt6A1 LEU 307 HB2 0.05 0.04 -0.34 -0.04 1.64 1.36 2qt6A1 LEU 307 HB3 -0.02 -0.05 -0.04 -0.04 1.64 1.48 2qt6A1 LEU 307 HG -0.05 -0.02 -0.21 -0.04 1.64 1.32 2qt6A1 LEU 307 HD13 0.04 0.03 -0.02 -0.04 0.93 0.94 2qt6A1 LEU 307 HD23 -0.40 -0.01 -0.07 -0.04 0.89 0.37 2qt6A1 THR 308 H 0.01 0.10 -0.10 -0.55 8.28 7.74 2qt6A1 THR 308 HA 0.01 0.15 0.84 -0.75 4.39 4.64 2qt6A1 THR 308 HB -0.02 0.01 0.06 -0.04 4.32 4.32 2qt6A1 THR 308 HG23 -0.02 -0.02 -0.07 -0.04 1.22 1.07 2qt6A1 SER 309 H 0.01 0.05 0.07 -0.55 8.46 8.04 2qt6A1 SER 309 HA 0.05 0.09 0.30 -0.75 4.49 4.17 2qt6A1 SER 309 HB2 0.01 -0.06 0.16 -0.04 3.95 4.02 2qt6A1 SER 309 HB3 0.03 0.03 0.00 -0.04 3.93 3.95 2qt6A1 MET 310 H 0.09 0.20 0.05 -0.55 8.47 8.26 2qt6A1 MET 310 HA -0.13 0.11 0.73 -0.75 4.52 4.48 2qt6A1 MET 310 HB2 -0.12 0.02 0.15 -0.04 2.15 2.16 2qt6A1 MET 310 HB3 -0.98 -0.00 0.05 -0.04 2.03 1.05 2qt6A1 MET 310 HG2 -0.33 0.00 -0.08 -0.04 2.63 2.19 2qt6A1 MET 310 HG3 -0.12 0.00 -0.40 -0.04 2.56 2.00 2qt6A1 MET 310 HE3 -0.08 -0.03 0.02 -0.04 2.10 1.97 2qt6A1 PRO 311 HA 0.19 0.11 0.37 -0.51 4.44 4.60 2qt6A1 PRO 311 HB2 0.12 -0.00 -0.15 -0.04 2.28 2.21 2qt6A1 PRO 311 HB3 0.10 0.03 0.04 -0.04 2.02 2.15 2qt6A1 PRO 311 HG2 0.04 -0.01 -0.01 -0.04 2.03 2.02 2qt6A1 PRO 311 HG3 0.06 0.00 -0.01 -0.04 2.03 2.04 2qt6A1 PRO 311 HD2 -0.01 0.08 0.08 -0.04 3.68 3.79 2qt6A1 PRO 311 HD3 0.01 0.16 -0.29 -0.04 3.65 3.50 2qt6A1 VAL 312 H 0.23 0.18 0.11 -0.55 8.24 8.21 2qt6A1 VAL 312 HA 0.39 0.12 0.54 -0.75 4.13 4.42 2qt6A1 VAL 312 HB 0.22 0.07 0.11 -0.04 2.12 2.47 2qt6A1 VAL 312 HG13 0.15 0.03 -0.13 -0.04 0.97 0.97 2qt6A1 VAL 312 HG23 0.15 -0.01 -0.15 -0.04 0.95 0.91 2qt6A1 PRO 313 HA 0.11 -0.01 0.38 -0.51 4.44 4.41 2qt6A1 PRO 313 HB2 0.06 -0.03 -0.07 -0.04 2.28 2.20 2qt6A1 PRO 313 HB3 0.09 -0.05 -0.03 -0.04 2.02 1.98 2qt6A1 PRO 313 HG2 0.32 -0.10 -0.22 -0.04 2.03 1.98 2qt6A1 PRO 313 HG3 0.30 0.06 -0.05 -0.04 2.03 2.31 2qt6A1 PRO 313 HD2 0.19 0.03 0.09 -0.04 3.68 3.95 2qt6A1 PRO 313 HD3 0.64 0.40 0.25 -0.04 3.65 4.90 2qt6A1 GLY 314 H 0.04 0.03 0.13 -0.55 8.43 8.08 2qt6A1 GLY 314 HA2 -0.01 -0.06 0.35 -0.51 4.01 3.78 2qt6A1 GLY 314 HA3 -0.01 0.08 0.37 -0.51 4.01 3.94 2qt6A1 ASN 315 H -0.06 0.65 0.22 -0.55 8.53 8.80 2qt6A1 ASN 315 HA -0.09 0.15 0.71 -0.75 4.76 4.78 2qt6A1 ASN 315 HB2 -0.10 0.02 0.16 -0.04 2.88 2.92 2qt6A1 ASN 315 HB3 -0.11 -0.02 0.00 -0.04 2.79 2.62 2qt6A1 ASN 315 HD21 -0.04 -0.05 0.00 -0.04 7.03 6.91 2qt6A1 ASN 315 HD22 -0.05 0.03 0.03 -0.04 7.74 7.71 2qt6A1 PRO 316 HA -1.56 0.15 0.42 -0.51 4.44 2.94 2qt6A1 PRO 316 HB2 -0.28 -0.04 0.20 -0.04 2.28 2.12 2qt6A1 PRO 316 HB3 -0.20 0.08 0.09 -0.04 2.02 1.95 2qt6A1 PRO 316 HG2 -0.15 -0.01 0.06 -0.04 2.03 1.88 2qt6A1 PRO 316 HG3 -0.08 0.02 0.08 -0.04 2.03 2.01 2qt6A1 PRO 316 HD2 -0.12 0.03 0.17 -0.04 3.68 3.72 2qt6A1 PRO 316 HD3 -0.10 0.23 0.20 -0.04 3.65 3.94 2qt6A1 THR 317 H -0.45 0.68 -0.10 -0.55 8.28 7.87 2qt6A1 THR 317 HA -0.20 0.12 0.65 -0.75 4.39 4.20 2qt6A1 THR 317 HB -0.12 -0.00 -0.00 -0.04 4.32 4.16 2qt6A1 THR 317 HG23 -0.13 -0.02 -0.27 -0.04 1.22 0.76 2qt6A1 GLN 318 H -0.14 0.12 0.08 -0.55 8.47 7.99 2qt6A1 GLN 318 HA -0.07 0.04 0.40 -0.75 4.36 3.98 2qt6A1 GLN 318 HB2 -0.14 -0.01 0.11 -0.04 2.15 2.08 2qt6A1 GLN 318 HB3 -0.11 0.03 0.01 -0.04 2.02 1.91 2qt6A1 GLN 318 HG2 -0.61 0.03 -0.02 -0.04 2.40 1.76 2qt6A1 GLN 318 HG3 -0.47 -0.02 0.03 -0.04 2.39 1.89 2qt6A1 GLN 318 HE21 -0.05 0.02 -0.01 -0.04 6.97 6.88 2qt6A1 GLN 318 HE22 -0.38 -0.01 -0.01 -0.04 7.69 7.25 2qt6A1 GLY 319 H -0.03 0.12 0.16 -0.55 8.43 8.13 2qt6A1 GLY 319 HA2 -0.05 -0.02 0.29 -0.51 4.01 3.72 2qt6A1 GLY 319 HA3 -0.05 0.09 0.35 -0.51 4.01 3.89 2qt6A1 GLY 320 H -0.05 0.30 -0.14 -0.55 8.43 8.00 2qt6A1 GLY 320 HA2 -0.07 0.10 0.34 -0.51 4.01 3.88 2qt6A1 GLY 320 HA3 -0.10 0.10 0.26 -0.51 4.01 3.75 2qt6A1 ALA 321 H -0.05 -0.01 -0.41 -0.55 8.40 7.39 2qt6A1 ALA 321 HA -0.04 0.05 0.68 -0.75 4.34 4.27 2qt6A1 ALA 321 HB3 -0.07 0.04 -0.30 -0.04 1.41 1.03 2qt6A1 ASP 322 H -0.05 0.11 0.19 -0.55 8.40 8.10 2qt6A1 ASP 322 HA -0.03 0.08 0.47 -0.75 4.63 4.39 2qt6A1 ASP 322 HB2 -0.04 0.15 0.24 -0.04 2.71 3.01 2qt6A1 ASP 322 HB3 -0.02 0.01 0.09 -0.04 2.70 2.73 2qt6A1 LEU 323 H -0.07 0.44 0.09 -0.55 8.37 8.28 2qt6A1 LEU 323 HA -0.03 0.14 0.75 -0.75 4.35 4.46 2qt6A1 LEU 323 HB2 -0.02 0.02 -0.03 -0.04 1.64 1.57 2qt6A1 LEU 323 HB3 -0.06 -0.01 0.09 -0.04 1.64 1.61 2qt6A1 LEU 323 HG -0.03 -0.02 -0.30 -0.04 1.64 1.26 2qt6A1 LEU 323 HD13 0.01 -0.02 0.06 -0.04 0.93 0.94 2qt6A1 LEU 323 HD23 0.03 -0.01 -0.01 -0.04 0.89 0.86 2qt6A1 ASN 324 H -0.04 0.26 0.08 -0.55 8.53 8.28 2qt6A1 ASN 324 HA -0.08 0.20 1.01 -0.75 4.76 5.13 2qt6A1 ASN 324 HB2 -0.05 0.02 0.12 -0.04 2.88 2.93 2qt6A1 ASN 324 HB3 -0.06 -0.03 0.00 -0.04 2.79 2.66 2qt6A1 ASN 324 HD21 -0.04 0.48 -0.24 -0.04 7.03 7.18 2qt6A1 ASN 324 HD22 -0.04 -0.05 -0.11 -0.04 7.74 7.49 2qt6A1 LEU 325 H -0.12 0.84 0.37 -0.55 8.37 8.91 2qt6A1 LEU 325 HA -0.08 0.15 0.93 -0.75 4.35 4.60 2qt6A1 LEU 325 HB2 -0.20 -0.01 0.04 -0.04 1.64 1.43 2qt6A1 LEU 325 HB3 -0.21 0.05 -0.04 -0.04 1.64 1.40 2qt6A1 LEU 325 HG -0.07 -0.04 -0.26 -0.04 1.64 1.23 2qt6A1 LEU 325 HD13 -0.10 0.01 -0.15 -0.04 0.93 0.65 2qt6A1 LEU 325 HD23 0.05 0.04 -0.11 -0.04 0.89 0.82 2qt6A1 ASN 326 H -0.11 0.23 0.19 -0.55 8.53 8.30 2qt6A1 ASN 326 HA -0.27 0.14 1.02 -0.75 4.76 4.89 2qt6A1 ASN 326 HB2 -0.11 -0.01 -0.05 -0.04 2.88 2.67 2qt6A1 ASN 326 HB3 -0.09 -0.02 0.07 -0.04 2.79 2.70 2qt6A1 ASN 326 HD21 -0.13 0.02 -0.23 -0.04 7.03 6.64 2qt6A1 ASN 326 HD22 -0.09 -0.06 -0.24 -0.04 7.74 7.31 2qt6A1 MET 327 H -0.44 0.77 0.23 -0.55 8.47 8.49 2qt6A1 MET 327 HA -0.12 0.11 0.83 -0.75 4.52 4.60 2qt6A1 MET 327 HB2 -0.47 0.05 0.19 -0.04 2.15 1.89 2qt6A1 MET 327 HB3 0.00 -0.01 -0.05 -0.04 2.03 1.93 2qt6A1 MET 327 HG2 -0.59 -0.02 -0.24 -0.04 2.63 1.74 2qt6A1 MET 327 HG3 -0.35 -0.00 -0.17 -0.04 2.56 2.00 2qt6A1 MET 327 HE3 -0.56 -0.02 -0.22 -0.04 2.10 1.26 2qt6A1 ALA 328 H 0.00 0.17 0.06 -0.55 8.40 8.09 2qt6A1 ALA 328 HA -0.17 0.17 0.68 -0.75 4.34 4.27 2qt6A1 ALA 328 HB3 0.02 -0.00 0.06 -0.04 1.41 1.44 2qt6A1 PHE 329 H -0.05 0.20 0.15 -0.55 8.34 8.09 2qt6A1 PHE 329 HA 0.36 0.29 0.62 -0.75 4.62 5.14 2qt6A1 PHE 329 HB2 0.21 -0.10 0.02 -0.04 3.15 3.24 2qt6A1 PHE 329 HB3 0.35 0.05 0.01 -0.04 3.06 3.43 2qt6A1 PHE 329 HD2 0.26 -0.07 -0.14 -0.04 7.28 7.29 2qt6A1 PHE 329 HE2 -0.15 -0.04 -0.13 -0.04 7.38 7.02 2qt6A1 PHE 329 HZ -0.57 -0.04 -0.08 -0.04 7.32 6.60 2qt6A1 ASN 330 H 0.43 0.59 0.33 -0.55 8.53 9.35 2qt6A1 ASN 330 HA 0.20 0.13 0.22 -0.75 4.76 4.57 2qt6A1 ASN 330 HB2 0.16 -0.02 -0.35 -0.04 2.88 2.63 2qt6A1 ASN 330 HB3 0.13 -0.03 -0.11 -0.04 2.79 2.74 2qt6A1 ASN 330 HD21 -0.01 -0.03 0.01 -0.04 7.03 6.96 2qt6A1 ASN 330 HD22 0.01 -0.03 -0.07 -0.04 7.74 7.60 2qt6A1 PHE 331 H 0.14 0.28 0.24 -0.55 8.34 8.45 2qt6A1 PHE 331 HA -0.07 0.32 0.94 -0.75 4.62 5.06 2qt6A1 PHE 331 HB2 -0.48 0.06 -0.26 -0.04 3.15 2.43 2qt6A1 PHE 331 HB3 -0.21 0.16 0.06 -0.04 3.06 3.03 2qt6A1 PHE 331 HD2 -0.95 0.08 -0.24 -0.04 7.28 6.12 2qt6A1 PHE 331 HE2 -0.46 0.10 -0.27 -0.04 7.38 6.71 2qt6A1 PHE 331 HZ -0.34 0.16 -0.31 -0.04 7.32 6.79 2qt6A1 ASP 332 H -0.54 0.45 0.27 -0.55 8.40 8.03 2qt6A1 ASP 332 HA -0.19 0.25 0.96 -0.75 4.63 4.89 2qt6A1 ASP 332 HB2 -0.08 0.02 0.19 -0.04 2.71 2.80 2qt6A1 ASP 332 HB3 0.02 0.04 -0.03 -0.04 2.70 2.69 2qt6A1 GLY 333 H -2.02 0.17 -0.11 -0.55 8.43 5.93 2qt6A1 GLY 333 HA2 -0.39 0.04 0.29 -0.51 4.01 3.44 2qt6A1 GLY 333 HA3 -0.27 0.17 0.70 -0.51 4.01 4.09 2qt6A1 THR 334 H -0.58 -0.12 -0.26 -0.55 8.28 6.77 2qt6A1 THR 334 HA 0.09 0.20 0.85 -0.75 4.39 4.78 2qt6A1 THR 334 HB -0.09 -0.05 0.03 -0.04 4.32 4.17 2qt6A1 THR 334 HG23 -0.00 0.01 -0.09 -0.04 1.22 1.10 2qt6A1 ASN 335 H -0.25 -0.09 0.15 -0.55 8.53 7.79 2qt6A1 ASN 335 HA 0.05 0.40 0.96 -0.75 4.76 5.41 2qt6A1 ASN 335 HB2 -0.27 -0.13 -0.00 -0.04 2.88 2.43 2qt6A1 ASN 335 HB3 -0.30 0.23 0.04 -0.04 2.79 2.71 2qt6A1 ASN 335 HD21 -0.01 0.02 -0.04 -0.04 7.03 6.96 2qt6A1 ASN 335 HD22 0.04 -0.05 0.00 -0.04 7.74 7.69 2qt6A1 PHE 336 H 0.21 0.71 0.27 -0.55 8.34 8.98 2qt6A1 PHE 336 HA 0.10 0.15 0.97 -0.75 4.62 5.08 2qt6A1 PHE 336 HB2 -0.08 0.03 -0.15 -0.04 3.15 2.91 2qt6A1 PHE 336 HB3 -0.56 0.00 -0.06 -0.04 3.06 2.40 2qt6A1 PHE 336 HD2 -0.64 0.08 0.01 -0.04 7.28 6.69 2qt6A1 PHE 336 HE2 -0.73 0.01 -0.13 -0.04 7.38 6.49 2qt6A1 PHE 336 HZ -1.33 0.09 -0.11 -0.04 7.32 5.92 2qt6A1 PHE 337 H 0.37 0.59 0.25 -0.55 8.34 9.01 2qt6A1 PHE 337 HA 0.25 0.37 0.64 -0.75 4.62 5.14 2qt6A1 PHE 337 HB2 0.16 -0.13 -0.21 -0.04 3.15 2.92 2qt6A1 PHE 337 HB3 0.16 -0.14 -0.34 -0.04 3.06 2.70 2qt6A1 PHE 337 HD2 0.06 0.01 -0.68 -0.04 7.28 6.63 2qt6A1 PHE 337 HE2 -0.04 -0.05 -0.12 -0.04 7.38 7.13 2qt6A1 PHE 337 HZ -0.02 -0.04 -0.11 -0.04 7.32 7.11 2qt6A1 ILE 338 H 0.39 0.88 0.24 -0.55 8.25 9.22 2qt6A1 ILE 338 HA 0.47 0.21 0.64 -0.75 4.18 4.75 2qt6A1 ILE 338 HB 0.35 0.16 0.07 -0.04 1.89 2.42 2qt6A1 ILE 338 HG12 0.58 -0.01 -0.14 -0.04 1.49 1.88 2qt6A1 ILE 338 HG13 0.61 -0.04 -0.47 -0.04 1.21 1.27 2qt6A1 ILE 338 HG23 0.23 -0.03 -0.16 -0.04 0.93 0.93 2qt6A1 ILE 338 HD13 0.21 -0.00 -0.32 -0.04 0.88 0.73 2qt6A1 ASN 339 H 0.24 0.64 0.21 -0.55 8.53 9.07 2qt6A1 ASN 339 HA 0.14 -0.02 0.34 -0.75 4.76 4.46 2qt6A1 ASN 339 HB2 0.28 0.21 -0.08 -0.04 2.88 3.24 2qt6A1 ASN 339 HB3 0.17 -0.01 0.24 -0.04 2.79 3.15 2qt6A1 ASN 339 HD21 -0.01 0.42 0.24 -0.04 7.03 7.64 2qt6A1 ASN 339 HD22 0.28 0.03 0.00 -0.04 7.74 8.01 2qt6A1 GLY 340 H 0.24 0.07 -0.41 -0.55 8.43 7.78 2qt6A1 GLY 340 HA2 0.07 -0.05 0.16 -0.51 4.01 3.68 2qt6A1 GLY 340 HA3 0.10 0.09 0.36 -0.51 4.01 4.05 2qt6A1 GLU 341 H 0.34 0.41 -0.36 -0.55 8.60 8.44 2qt6A1 GLU 341 HA 0.31 0.10 0.92 -0.75 4.29 4.86 2qt6A1 GLU 341 HB2 0.22 0.14 -0.02 -0.04 2.09 2.39 2qt6A1 GLU 341 HB3 0.15 0.07 -0.08 -0.04 1.99 2.09 2qt6A1 GLU 341 HG2 0.16 0.03 -0.32 -0.04 2.34 2.17 2qt6A1 GLU 341 HG3 0.11 0.01 0.01 -0.04 2.34 2.42 2qt6A1 SER 342 H 0.09 0.13 0.17 -0.55 8.46 8.31 2qt6A1 SER 342 HA -0.01 0.30 1.03 -0.75 4.49 5.05 2qt6A1 SER 342 HB2 -1.01 -0.11 -0.04 -0.04 3.95 2.74 2qt6A1 SER 342 HB3 -0.19 -0.12 0.05 -0.04 3.93 3.63 2qt6A1 PHE 343 H 0.26 0.66 0.39 -0.55 8.34 9.10 2qt6A1 PHE 343 HA 0.11 0.05 0.48 -0.75 4.62 4.51 2qt6A1 PHE 343 HB2 0.17 0.25 0.08 -0.04 3.15 3.61 2qt6A1 PHE 343 HB3 0.16 -0.08 0.01 -0.04 3.06 3.11 2qt6A1 PHE 343 HD2 0.22 0.04 -0.33 -0.04 7.28 7.16 2qt6A1 PHE 343 HE2 0.13 -0.04 -0.22 -0.04 7.38 7.21 2qt6A1 PHE 343 HZ 0.00 -0.02 -0.10 -0.04 7.32 7.16 2qt6A1 THR 344 H -0.29 0.20 0.22 -0.55 8.28 7.86 2qt6A1 THR 344 HA 0.05 0.23 0.82 -0.75 4.39 4.74 2qt6A1 THR 344 HB -0.05 0.03 0.03 -0.04 4.32 4.29 2qt6A1 THR 344 HG23 -0.02 0.00 -0.15 -0.04 1.22 1.01 2qt6A1 PRO 345 HA 0.18 0.12 0.38 -0.51 4.44 4.61 2qt6A1 PRO 345 HB2 -0.42 0.07 -0.10 -0.04 2.28 1.79 2qt6A1 PRO 345 HB3 0.21 0.04 0.03 -0.04 2.02 2.26 2qt6A1 PRO 345 HG2 -0.13 -0.02 0.05 -0.04 2.03 1.89 2qt6A1 PRO 345 HG3 0.04 -0.02 0.05 -0.04 2.03 2.05 2qt6A1 PRO 345 HD2 0.02 0.06 0.20 -0.04 3.68 3.91 2qt6A1 PRO 345 HD3 0.17 0.19 0.10 -0.04 3.65 4.06 2qt6A1 PRO 346 HA -0.11 0.03 0.55 -0.51 4.44 4.40 2qt6A1 PRO 346 HB2 -0.01 -0.08 -0.03 -0.04 2.28 2.12 2qt6A1 PRO 346 HB3 -0.07 -0.07 -0.20 -0.04 2.02 1.63 2qt6A1 PRO 346 HG2 0.10 0.05 -0.06 -0.04 2.03 2.08 2qt6A1 PRO 346 HG3 0.06 0.14 0.10 -0.04 2.03 2.28 2qt6A1 PRO 346 HD2 0.20 0.06 0.18 -0.04 3.68 4.07 2qt6A1 PRO 346 HD3 -0.08 0.18 0.18 -0.04 3.65 3.89 2qt6A1 THR 347 H -0.07 0.07 0.11 -0.55 8.28 7.84 2qt6A1 THR 347 HA -0.13 0.11 0.46 -0.75 4.39 4.07 2qt6A1 THR 347 HB -0.02 -0.06 0.08 -0.04 4.32 4.28 2qt6A1 THR 347 HG23 0.02 0.00 -0.09 -0.04 1.22 1.11 2qt6A1 VAL 348 H 0.02 0.04 -0.16 -0.55 8.24 7.59 2qt6A1 VAL 348 HA 0.06 0.19 0.72 -0.75 4.13 4.35 2qt6A1 VAL 348 HB 0.03 -0.03 0.01 -0.04 2.12 2.09 2qt6A1 VAL 348 HG13 0.04 0.04 -0.21 -0.04 0.97 0.79 2qt6A1 VAL 348 HG23 0.02 -0.01 -0.09 -0.04 0.95 0.82 2qt6A1 PRO 349 HA 0.11 0.43 0.17 -0.51 4.44 4.65 2qt6A1 PRO 349 HB2 0.10 -0.17 -0.27 -0.04 2.28 1.90 2qt6A1 PRO 349 HB3 0.01 -0.06 -0.50 -0.04 2.02 1.42 2qt6A1 PRO 349 HG2 -0.19 -0.07 -0.28 -0.04 2.03 1.45 2qt6A1 PRO 349 HG3 -0.09 0.12 -0.22 -0.04 2.03 1.80 2qt6A1 PRO 349 HD2 -0.02 0.01 0.08 -0.04 3.68 3.71 2qt6A1 PRO 349 HD3 0.06 0.32 0.18 -0.04 3.65 4.17 2qt6A1 VAL 350 H 0.04 0.40 0.13 -0.55 8.24 8.26 2qt6A1 VAL 350 HA 0.05 0.03 0.35 -0.75 4.13 3.80 2qt6A1 VAL 350 HB -0.03 0.04 0.16 -0.04 2.12 2.25 2qt6A1 VAL 350 HG13 0.02 -0.04 -0.11 -0.04 0.97 0.80 2qt6A1 VAL 350 HG23 0.09 0.10 0.15 -0.04 0.95 1.24 2qt6A1 LEU 351 H 0.05 0.69 -0.10 -0.55 8.37 8.46 2qt6A1 LEU 351 HA -0.01 0.02 0.35 -0.75 4.35 3.96 2qt6A1 LEU 351 HB2 -0.01 0.09 0.12 -0.04 1.64 1.80 2qt6A1 LEU 351 HB3 0.29 -0.03 -0.00 -0.04 1.64 1.86 2qt6A1 LEU 351 HG -0.06 -0.04 -0.22 -0.04 1.64 1.27 2qt6A1 LEU 351 HD13 -0.12 -0.00 0.01 -0.04 0.93 0.77 2qt6A1 LEU 351 HD23 -0.26 0.04 -0.05 -0.04 0.89 0.57 2qt6A1 LEU 352 H 0.22 0.16 -0.41 -0.55 8.37 7.79 2qt6A1 LEU 352 HA 0.32 0.03 0.35 -0.75 4.35 4.29 2qt6A1 LEU 352 HB2 0.19 -0.03 -0.00 -0.04 1.64 1.75 2qt6A1 LEU 352 HB3 0.09 0.12 -0.01 -0.04 1.64 1.80 2qt6A1 LEU 352 HG 0.06 0.00 -0.16 -0.04 1.64 1.49 2qt6A1 LEU 352 HD13 0.16 -0.01 0.03 -0.04 0.93 1.07 2qt6A1 LEU 352 HD23 -0.10 -0.00 -0.01 -0.04 0.89 0.74 2qt6A1 GLN 353 H 0.08 0.66 -0.24 -0.55 8.47 8.43 2qt6A1 GLN 353 HA 0.04 -0.02 0.40 -0.75 4.36 4.03 2qt6A1 GLN 353 HB2 0.04 0.21 0.11 -0.04 2.15 2.46 2qt6A1 GLN 353 HB3 0.03 -0.08 -0.02 -0.04 2.02 1.91 2qt6A1 GLN 353 HG2 0.03 -0.10 -0.03 -0.04 2.40 2.26 2qt6A1 GLN 353 HG3 0.05 0.23 -0.26 -0.04 2.39 2.36 2qt6A1 GLN 353 HE21 0.02 0.32 0.13 -0.04 6.97 7.40 2qt6A1 GLN 353 HE22 0.04 0.46 -0.12 -0.04 7.69 8.04 2qt6A1 ILE 354 H 0.04 0.52 -0.24 -0.55 8.25 8.02 2qt6A1 ILE 354 HA 0.02 0.13 0.50 -0.75 4.18 4.08 2qt6A1 ILE 354 HB 0.01 0.13 0.12 -0.04 1.89 2.11 2qt6A1 ILE 354 HG12 0.01 0.03 -0.08 -0.04 1.49 1.41 2qt6A1 ILE 354 HG13 0.02 0.06 -0.03 -0.04 1.21 1.21 2qt6A1 ILE 354 HG23 0.00 -0.01 -0.11 -0.04 0.93 0.77 2qt6A1 ILE 354 HD13 -0.02 -0.04 -0.13 -0.04 0.88 0.65 2qt6A1 ILE 355 H 0.06 0.52 -0.08 -0.55 8.25 8.20 2qt6A1 ILE 355 HA 0.03 -0.01 0.33 -0.75 4.18 3.78 2qt6A1 ILE 355 HB 0.14 0.05 0.15 -0.04 1.89 2.18 2qt6A1 ILE 355 HG12 -0.01 -0.04 0.00 -0.04 1.49 1.40 2qt6A1 ILE 355 HG13 0.01 0.11 0.02 -0.04 1.21 1.31 2qt6A1 ILE 355 HG23 0.08 -0.02 -0.10 -0.04 0.93 0.85 2qt6A1 ILE 355 HD13 -0.03 -0.02 -0.08 -0.04 0.88 0.71 2qt6A1 SER 356 H 0.06 0.48 -0.36 -0.55 8.46 8.09 2qt6A1 SER 356 HA 0.04 0.01 0.43 -0.75 4.49 4.21 2qt6A1 SER 356 HB2 0.03 0.08 0.07 -0.04 3.95 4.10 2qt6A1 SER 356 HB3 0.03 -0.10 0.08 -0.04 3.93 3.90 2qt6A1 GLY 357 H 0.03 0.37 -0.49 -0.55 8.43 7.78 2qt6A1 GLY 357 HA2 0.02 0.01 0.20 -0.51 4.01 3.72 2qt6A1 GLY 357 HA3 0.02 0.12 0.91 -0.51 4.01 4.54 2qt6A1 ALA 358 H 0.02 0.45 0.11 -0.55 8.40 8.44 2qt6A1 ALA 358 HA 0.01 -0.05 0.42 -0.75 4.34 3.97 2qt6A1 ALA 358 HB3 0.02 -0.01 -0.13 -0.04 1.41 1.25 2qt6A1 ASN 359 H 0.01 -0.01 0.18 -0.55 8.53 8.16 2qt6A1 ASN 359 HA 0.02 0.26 0.92 -0.75 4.76 5.20 2qt6A1 ASN 359 HB2 0.02 -0.09 0.10 -0.04 2.88 2.87 2qt6A1 ASN 359 HB3 0.02 0.18 -0.25 -0.04 2.79 2.69 2qt6A1 ASN 359 HD21 0.01 -0.07 -0.00 -0.04 7.03 6.93 2qt6A1 ASN 359 HD22 0.01 0.05 -0.03 -0.04 7.74 7.73 2qt6A1 THR 360 H 0.01 0.13 0.10 -0.55 8.28 7.97 2qt6A1 THR 360 HA 0.02 0.24 0.77 -0.75 4.39 4.67 2qt6A1 THR 360 HB 0.01 0.00 0.13 -0.04 4.32 4.41 2qt6A1 THR 360 HG23 0.01 0.04 -0.12 -0.04 1.22 1.10 2qt6A1 ALA 361 H 0.01 0.19 0.11 -0.55 8.40 8.16 2qt6A1 ALA 361 HA 0.01 0.11 0.28 -0.75 4.34 3.99 2qt6A1 ALA 361 HB3 -0.03 0.08 0.07 -0.04 1.41 1.49 2qt6A1 GLN 362 H -0.01 0.01 -0.26 -0.55 8.47 7.67 2qt6A1 GLN 362 HA -0.02 0.17 0.33 -0.75 4.36 4.08 2qt6A1 GLN 362 HB2 -0.01 0.04 0.12 -0.04 2.15 2.26 2qt6A1 GLN 362 HB3 -0.02 -0.01 0.08 -0.04 2.02 2.03 2qt6A1 ASP 363 H 0.00 0.22 -0.42 -0.55 8.40 7.66 2qt6A1 ASP 363 HA 0.00 0.20 0.83 -0.75 4.63 4.90 2qt6A1 ASP 363 HB2 0.01 -0.15 0.09 -0.04 2.71 2.62 2qt6A1 ASP 363 HB3 0.01 0.04 0.13 -0.04 2.70 2.83 2qt6A1 LEU 364 H 0.00 0.37 -0.31 -0.55 8.37 7.89 2qt6A1 LEU 364 HA 0.01 0.09 0.73 -0.75 4.35 4.43 2qt6A1 LEU 364 HB2 0.02 0.11 0.08 -0.04 1.64 1.81 2qt6A1 LEU 364 HB3 0.03 0.07 -0.07 -0.04 1.64 1.63 2qt6A1 LEU 364 HG 0.02 -0.05 -0.28 -0.04 1.64 1.29 2qt6A1 LEU 364 HD13 0.03 -0.03 -0.23 -0.04 0.93 0.66 2qt6A1 LEU 364 HD23 0.02 0.04 -0.15 -0.04 0.89 0.76 2qt6A1 LEU 365 H 0.01 0.15 0.12 -0.55 8.37 8.10 2qt6A1 LEU 365 HA -0.03 0.07 0.61 -0.75 4.35 4.24 2qt6A1 LEU 365 HB2 -0.02 0.01 0.07 -0.04 1.64 1.66 2qt6A1 LEU 365 HB3 -0.06 -0.01 0.04 -0.04 1.64 1.58 2qt6A1 LEU 365 HG -0.01 0.04 -0.23 -0.04 1.64 1.41 2qt6A1 LEU 365 HD13 -0.02 -0.01 -0.01 -0.04 0.93 0.86 2qt6A1 LEU 365 HD23 -0.03 0.01 -0.04 -0.04 0.89 0.79 2qt6A1 PRO 366 HA -0.10 -0.04 0.38 -0.51 4.44 4.16 2qt6A1 PRO 366 HB2 -0.22 0.10 0.01 -0.04 2.28 2.13 2qt6A1 PRO 366 HB3 -0.28 0.09 0.12 -0.04 2.02 1.90 2qt6A1 PRO 366 HG2 -0.69 -0.01 -0.01 -0.04 2.03 1.28 2qt6A1 PRO 366 HG3 -1.28 0.25 0.11 -0.04 2.03 1.08 2qt6A1 PRO 366 HD2 -0.18 0.03 0.08 -0.04 3.68 3.57 2qt6A1 PRO 366 HD3 -0.34 0.18 0.33 -0.04 3.65 3.77 2qt6A1 SER 367 H -0.05 0.08 0.15 -0.55 8.46 8.10 2qt6A1 SER 367 HA -0.02 0.11 0.37 -0.75 4.49 4.20 2qt6A1 SER 367 HB2 -0.00 0.02 0.06 -0.04 3.95 3.99 2qt6A1 SER 367 HB3 -0.01 -0.01 0.16 -0.04 3.93 4.02 2qt6A1 GLY 368 H -0.02 0.17 0.24 -0.55 8.43 8.28 2qt6A1 GLY 368 HA2 -0.05 -0.03 0.34 -0.51 4.01 3.77 2qt6A1 GLY 368 HA3 0.02 0.08 0.29 -0.51 4.01 3.89 2qt6A1 SER 369 H 0.03 0.36 -0.22 -0.55 8.46 8.09 2qt6A1 SER 369 HA 0.27 0.22 0.70 -0.75 4.49 4.92 2qt6A1 SER 369 HB2 0.11 0.12 -0.11 -0.04 3.95 4.02 2qt6A1 SER 369 HB3 0.56 -0.08 0.04 -0.04 3.93 4.41 2qt6A1 VAL 370 H -0.02 0.10 -0.04 -0.55 8.24 7.72 2qt6A1 VAL 370 HA 0.25 0.23 0.95 -0.75 4.13 4.81 2qt6A1 VAL 370 HB 0.03 0.06 0.06 -0.04 2.12 2.22 2qt6A1 VAL 370 HG13 0.10 -0.03 -0.18 -0.04 0.97 0.82 2qt6A1 VAL 370 HG23 0.14 0.02 -0.30 -0.04 0.95 0.77 2qt6A1 TYR 371 H 0.32 0.73 0.34 -0.55 8.29 9.13 2qt6A1 TYR 371 HA 0.07 0.10 0.90 -0.75 4.56 4.88 2qt6A1 TYR 371 HB2 0.11 0.02 0.06 -0.04 3.06 3.20 2qt6A1 TYR 371 HB3 0.07 0.03 -0.09 -0.04 2.98 2.94 2qt6A1 TYR 371 HD2 0.09 0.03 -0.14 -0.04 7.15 7.08 2qt6A1 TYR 371 HE2 0.09 0.03 -0.10 -0.04 6.85 6.83 2qt6A1 SER 372 H 0.08 0.11 0.15 -0.55 8.46 8.25 2qt6A1 SER 372 HA 0.10 0.27 0.72 -0.75 4.49 4.84 2qt6A1 SER 372 HB2 0.05 -0.16 0.12 -0.04 3.95 3.91 2qt6A1 SER 372 HB3 0.06 0.00 0.17 -0.04 3.93 4.11 2qt6A1 LEU 373 H 0.13 0.59 0.25 -0.55 8.37 8.79 2qt6A1 LEU 373 HA 0.08 0.24 0.92 -0.75 4.35 4.84 2qt6A1 LEU 373 HB2 0.18 -0.14 -0.03 -0.04 1.64 1.60 2qt6A1 LEU 373 HB3 0.10 0.11 -0.08 -0.04 1.64 1.72 2qt6A1 LEU 373 HG 0.21 0.00 -0.32 -0.04 1.64 1.49 2qt6A1 LEU 373 HD13 0.30 0.01 -0.17 -0.04 0.93 1.03 2qt6A1 LEU 373 HD23 0.11 0.03 -0.27 -0.04 0.89 0.72 2qt6A1 PRO 374 HA 0.05 -0.01 0.59 -0.51 4.44 4.56 2qt6A1 PRO 374 HB2 0.03 0.14 0.00 -0.04 2.28 2.41 2qt6A1 PRO 374 HB3 0.03 -0.00 0.08 -0.04 2.02 2.08 2qt6A1 PRO 374 HG2 0.01 0.02 -0.02 -0.04 2.03 2.00 2qt6A1 PRO 374 HG3 0.01 0.06 0.01 -0.04 2.03 2.07 2qt6A1 PRO 374 HD2 0.02 0.09 0.17 -0.04 3.68 3.92 2qt6A1 PRO 374 HD3 0.04 0.19 0.14 -0.04 3.65 3.97 2qt6A1 SER 375 H 0.06 0.05 0.18 -0.55 8.46 8.19 2qt6A1 SER 375 HA 0.09 0.13 0.54 -0.75 4.49 4.49 2qt6A1 SER 375 HB2 0.07 0.07 0.12 -0.04 3.95 4.16 2qt6A1 SER 375 HB3 0.07 -0.05 0.12 -0.04 3.93 4.03 2qt6A1 ASN 376 H 0.07 0.67 0.31 -0.55 8.53 9.04 2qt6A1 ASN 376 HA 0.05 0.01 0.30 -0.75 4.76 4.37 2qt6A1 ASN 376 HB2 0.03 0.01 -0.36 -0.04 2.88 2.52 2qt6A1 ASN 376 HB3 0.03 -0.01 0.20 -0.04 2.79 2.97 2qt6A1 ASN 376 HD21 0.04 0.02 0.00 -0.04 7.03 7.04 2qt6A1 ASN 376 HD22 0.04 -0.03 -0.07 -0.04 7.74 7.64 2qt6A1 SER 377 H 0.03 0.09 -0.08 -0.55 8.46 7.95 2qt6A1 SER 377 HA -0.00 0.14 0.94 -0.75 4.49 4.82 2qt6A1 SER 377 HB2 -0.02 0.10 -0.14 -0.04 3.95 3.86 2qt6A1 SER 377 HB3 -0.03 -0.01 -0.02 -0.04 3.93 3.82 2qt6A1 SER 378 H -0.03 0.10 0.23 -0.55 8.46 8.21 2qt6A1 SER 378 HA -0.09 0.32 0.96 -0.75 4.49 4.93 2qt6A1 SER 378 HB2 -0.04 0.18 -0.17 -0.04 3.95 3.88 2qt6A1 SER 378 HB3 -0.00 -0.02 0.05 -0.04 3.93 3.92 2qt6A1 ILE 379 H -0.35 0.70 0.40 -0.55 8.25 8.45 2qt6A1 ILE 379 HA -0.22 0.27 1.03 -0.75 4.18 4.50 2qt6A1 ILE 379 HB -1.50 -0.04 0.02 -0.04 1.89 0.33 2qt6A1 ILE 379 HG12 -0.49 0.05 -0.25 -0.04 1.49 0.76 2qt6A1 ILE 379 HG13 -0.55 -0.01 -0.18 -0.04 1.21 0.44 2qt6A1 ILE 379 HG23 -0.23 0.00 -0.21 -0.04 0.93 0.46 2qt6A1 ILE 379 HD13 -0.12 0.04 -0.21 -0.04 0.88 0.56 2qt6A1 GLU 380 H -0.14 0.61 0.39 -0.55 8.60 8.92 2qt6A1 GLU 380 HA -0.08 0.42 1.11 -0.75 4.29 4.99 2qt6A1 GLU 380 HB2 -0.04 -0.02 0.06 -0.04 2.09 2.05 2qt6A1 GLU 380 HB3 -0.07 -0.10 0.18 -0.04 1.99 1.96 2qt6A1 GLU 380 HG2 -0.06 -0.04 -0.24 -0.04 2.34 1.96 2qt6A1 GLU 380 HG3 -0.02 0.23 0.04 -0.04 2.34 2.55 2qt6A1 ILE 381 H -0.07 0.55 0.25 -0.55 8.25 8.44 2qt6A1 ILE 381 HA -0.25 0.39 0.95 -0.75 4.18 4.51 2qt6A1 ILE 381 HB -0.16 -0.05 -0.04 -0.04 1.89 1.61 2qt6A1 ILE 381 HG12 -0.12 0.05 -0.23 -0.04 1.49 1.16 2qt6A1 ILE 381 HG13 0.05 -0.05 -0.44 -0.04 1.21 0.73 2qt6A1 ILE 381 HG23 -0.80 0.01 -0.20 -0.04 0.93 -0.11 2qt6A1 ILE 381 HD13 0.11 0.00 -0.20 -0.04 0.88 0.75 2qt6A1 THR 382 H -0.38 0.50 0.36 -0.55 8.28 8.21 2qt6A1 THR 382 HA -0.16 0.36 1.07 -0.75 4.39 4.91 2qt6A1 THR 382 HB -0.13 0.01 -0.01 -0.04 4.32 4.15 2qt6A1 THR 382 HG23 -0.04 -0.01 -0.13 -0.04 1.22 1.00 2qt6A1 PHE 383 H -0.00 0.53 0.03 -0.55 8.34 8.34 2qt6A1 PHE 383 HA -0.50 0.24 0.84 -0.75 4.62 4.45 2qt6A1 PHE 383 HB2 -0.19 -0.05 0.13 -0.04 3.15 3.00 2qt6A1 PHE 383 HB3 -0.23 -0.00 0.07 -0.04 3.06 2.85 2qt6A1 PHE 383 HD2 -0.50 0.08 -0.20 -0.04 7.28 6.62 2qt6A1 PHE 383 HE2 -0.29 0.01 -0.24 -0.04 7.38 6.81 2qt6A1 PHE 383 HZ -0.21 0.01 -0.25 -0.04 7.32 6.83 2qt6A1 PRO 384 HA -0.07 0.02 0.41 -0.51 4.44 4.29 2qt6A1 PRO 384 HB2 -0.10 0.06 -0.06 -0.04 2.28 2.14 2qt6A1 PRO 384 HB3 -0.08 0.02 0.09 -0.04 2.02 2.01 2qt6A1 PRO 384 HG2 -0.23 -0.01 0.02 -0.04 2.03 1.77 2qt6A1 PRO 384 HG3 -0.14 -0.00 -0.02 -0.04 2.03 1.82 2qt6A1 PRO 384 HD2 -0.38 0.29 -0.04 -0.04 3.68 3.50 2qt6A1 PRO 384 HD3 -0.21 -0.00 -0.23 -0.04 3.65 3.16 2qt6A1 ALA 385 H 0.01 0.33 0.15 -0.55 8.40 8.34 2qt6A1 ALA 385 HA 0.22 0.07 0.38 -0.75 4.34 4.26 2qt6A1 ALA 385 HB3 0.10 0.02 -0.24 -0.04 1.41 1.25 2qt6A1 THR 386 H 0.26 0.28 0.20 -0.55 8.28 8.47 2qt6A1 THR 386 HA 0.07 0.14 0.84 -0.75 4.39 4.69 2qt6A1 THR 386 HB 0.05 0.19 -0.15 -0.04 4.32 4.36 2qt6A1 THR 386 HG23 0.23 0.05 -0.02 -0.04 1.22 1.44 2qt6A1 THR 387 H 0.06 0.21 0.14 -0.55 8.28 8.14 2qt6A1 THR 387 HA 0.07 0.09 0.40 -0.75 4.39 4.20 2qt6A1 THR 387 HB 0.03 0.04 0.08 -0.04 4.32 4.43 2qt6A1 THR 387 HG23 0.03 -0.00 0.03 -0.04 1.22 1.24 2qt6A1 ALA 388 H 0.10 0.01 -0.45 -0.55 8.40 7.52 2qt6A1 ALA 388 HA 0.07 0.09 0.41 -0.75 4.34 4.17 2qt6A1 ALA 388 HB3 0.10 0.02 0.07 -0.04 1.41 1.55 2qt6A1 ALA 389 H 0.16 0.31 -0.58 -0.55 8.40 7.75 2qt6A1 ALA 389 HA -0.02 0.19 0.67 -0.75 4.34 4.42 2qt6A1 ALA 389 HB3 0.19 -0.01 -0.07 -0.04 1.41 1.48 2qt6A1 PRO 390 HA -0.05 -0.03 0.45 -0.51 4.44 4.30 2qt6A1 PRO 390 HB2 -0.47 0.05 -0.13 -0.04 2.28 1.69 2qt6A1 PRO 390 HB3 -0.17 -0.02 0.06 -0.04 2.02 1.85 2qt6A1 PRO 390 HG2 -0.28 0.01 -0.04 -0.04 2.03 1.68 2qt6A1 PRO 390 HG3 -0.08 0.07 -0.01 -0.04 2.03 1.97 2qt6A1 PRO 390 HD2 -0.79 0.07 0.01 -0.04 3.68 2.93 2qt6A1 PRO 390 HD3 -0.05 0.24 -0.40 -0.04 3.65 3.39 2qt6A1 GLY 391 H -0.11 0.08 0.15 -0.55 8.43 8.01 2qt6A1 GLY 391 HA2 -0.12 0.02 0.25 -0.51 4.01 3.66 2qt6A1 GLY 391 HA3 0.01 0.15 0.62 -0.51 4.01 4.28 2qt6A1 ALA 392 H -0.11 0.03 -0.01 -0.55 8.40 7.76 2qt6A1 ALA 392 HA -0.43 -0.06 0.41 -0.75 4.34 3.50 2qt6A1 ALA 392 HB3 0.03 0.06 0.13 -0.04 1.41 1.59 2qt6A1 PRO 393 HA 0.00 0.20 0.45 -0.51 4.44 4.59 2qt6A1 PRO 393 HB2 -0.01 -0.12 -0.02 -0.04 2.28 2.09 2qt6A1 PRO 393 HB3 0.05 -0.04 0.02 -0.04 2.02 2.01 2qt6A1 PRO 393 HG2 0.39 0.00 0.10 -0.04 2.03 2.49 2qt6A1 PRO 393 HG3 0.24 -0.00 0.04 -0.04 2.03 2.26 2qt6A1 PRO 393 HD2 0.11 0.10 0.19 -0.04 3.68 4.04 2qt6A1 PRO 393 HD3 0.07 0.09 0.25 -0.04 3.65 4.02 2qt6A1 HIS 394 H 0.14 0.18 0.13 -0.55 8.41 8.31 2qt6A1 HIS 394 HA 0.12 0.23 0.58 -0.75 4.63 4.80 2qt6A1 HIS 394 HB2 0.24 -0.04 0.11 -0.04 3.26 3.53 2qt6A1 HIS 394 HB3 0.13 0.02 -0.07 -0.04 3.20 3.23 2qt6A1 HIS 394 HD2 0.23 -0.06 -0.04 -0.04 6.97 7.06 2qt6A1 HIS 394 HE1 -0.42 0.15 -0.11 -0.04 7.75 7.32 2qt6A1 PRO 395 HA -0.03 0.21 0.65 -0.51 4.44 4.76 2qt6A1 PRO 395 HB2 0.06 0.17 -0.10 -0.04 2.28 2.38 2qt6A1 PRO 395 HB3 0.04 -0.09 -0.07 -0.04 2.02 1.86 2qt6A1 PRO 395 HG2 0.10 -0.05 0.08 -0.04 2.03 2.12 2qt6A1 PRO 395 HG3 0.16 -0.01 0.06 -0.04 2.03 2.19 2qt6A1 PRO 395 HD2 0.10 -0.03 0.23 -0.04 3.68 3.93 2qt6A1 PRO 395 HD3 0.12 0.44 0.36 -0.04 3.65 4.53 2qt6A1 PHE 396 H 0.06 0.52 0.27 -0.55 8.34 8.64 2qt6A1 PHE 396 HA -0.18 0.22 0.71 -0.75 4.62 4.62 2qt6A1 PHE 396 HB2 -0.66 0.01 0.02 -0.04 3.15 2.48 2qt6A1 PHE 396 HB3 -0.54 0.03 -0.22 -0.04 3.06 2.28 2qt6A1 PHE 396 HD2 -0.20 0.02 -0.30 -0.04 7.28 6.76 2qt6A1 PHE 396 HE2 -0.64 0.02 -0.20 -0.04 7.38 6.52 2qt6A1 PHE 396 HZ -2.09 0.02 -0.17 -0.04 7.32 5.04 2qt6A1 HIS 397 H -0.21 0.63 0.32 -0.55 8.41 8.61 2qt6A1 HIS 397 HA 0.13 0.36 1.04 -0.75 4.63 5.41 2qt6A1 HIS 397 HB2 0.16 -0.03 -0.14 -0.04 3.26 3.21 2qt6A1 HIS 397 HB3 -0.29 0.00 0.04 -0.04 3.20 2.91 2qt6A1 HIS 397 HD2 0.14 -0.04 -0.20 -0.04 6.97 6.82 2qt6A1 HIS 397 HE1 -0.35 -0.04 -0.06 -0.04 7.75 7.25 2qt6A1 LEU 398 H 0.15 0.43 0.21 -0.55 8.37 8.62 2qt6A1 LEU 398 HA -0.07 0.18 1.00 -0.75 4.35 4.70 2qt6A1 LEU 398 HB2 -0.04 -0.10 -0.08 -0.04 1.64 1.38 2qt6A1 LEU 398 HB3 0.23 0.04 0.06 -0.04 1.64 1.93 2qt6A1 LEU 398 HG -0.11 0.25 -0.31 -0.04 1.64 1.43 2qt6A1 LEU 398 HD13 -0.02 -0.01 -0.07 -0.04 0.93 0.79 2qt6A1 LEU 398 HD23 -0.84 -0.03 -0.22 -0.04 0.89 -0.24 2qt6A1 HIS 399 H 0.17 0.68 0.20 -0.55 8.41 8.90 2qt6A1 HIS 399 HA -0.14 0.05 0.65 -0.75 4.63 4.43 2qt6A1 HIS 399 HB2 0.28 -0.07 0.13 -0.04 3.26 3.56 2qt6A1 HIS 399 HB3 0.31 0.03 0.07 -0.04 3.20 3.57 2qt6A1 HIS 399 HD2 -0.17 0.13 -0.21 -0.04 6.97 6.67 2qt6A1 HIS 399 HE1 -1.11 0.01 -0.07 -0.04 7.75 6.53 2qt6A1 GLY 400 H -0.18 0.16 0.07 -0.55 8.43 7.93 2qt6A1 GLY 400 HA2 -1.07 0.16 0.35 -0.51 4.01 2.95 2qt6A1 GLY 400 HA3 -2.14 0.07 0.26 -0.51 4.01 1.69 2qt6A1 HIS 401 H -0.11 0.27 -0.43 -0.55 8.41 7.59 2qt6A1 HIS 401 HA -0.53 0.07 0.86 -0.75 4.63 4.28 2qt6A1 HIS 401 HB2 -0.33 -0.00 -0.28 -0.04 3.26 2.62 2qt6A1 HIS 401 HB3 -0.19 0.21 -0.15 -0.04 3.20 3.03 2qt6A1 HIS 401 HD2 -0.51 0.18 -0.16 -0.04 6.97 6.44 2qt6A1 HIS 401 HE1 0.09 -0.20 0.12 -0.04 7.75 7.72 2qt6A1 VAL 402 H -0.06 0.07 0.13 -0.55 8.24 7.84 2qt6A1 VAL 402 HA -0.05 0.29 0.74 -0.75 4.13 4.35 2qt6A1 VAL 402 HB 0.27 -0.01 0.02 -0.04 2.12 2.36 2qt6A1 VAL 402 HG13 0.23 -0.01 -0.10 -0.04 0.97 1.05 2qt6A1 VAL 402 HG23 0.26 -0.02 -0.02 -0.04 0.95 1.12 2qt6A1 PHE 403 H -0.53 0.63 0.35 -0.55 8.34 8.23 2qt6A1 PHE 403 HA 0.00 0.21 0.94 -0.75 4.62 5.02 2qt6A1 PHE 403 HB2 -0.04 -0.03 -0.04 -0.04 3.15 3.00 2qt6A1 PHE 403 HB3 -0.04 0.02 -0.21 -0.04 3.06 2.79 2qt6A1 PHE 403 HD2 -0.12 0.03 -0.42 -0.04 7.28 6.73 2qt6A1 PHE 403 HE2 -0.04 -0.04 -0.20 -0.04 7.38 7.06 2qt6A1 PHE 403 HZ -0.02 -0.03 -0.55 -0.04 7.32 6.69 2qt6A1 ALA 404 H -0.77 0.65 0.40 -0.55 8.40 8.13 2qt6A1 ALA 404 HA -1.03 0.32 0.77 -0.75 4.34 3.64 2qt6A1 ALA 404 HB3 -1.02 0.00 0.06 -0.04 1.41 0.41 2qt6A1 VAL 405 H -0.17 0.70 0.16 -0.55 8.24 8.38 2qt6A1 VAL 405 HA 0.00 0.13 0.77 -0.75 4.13 4.27 2qt6A1 VAL 405 HB -0.02 -0.00 0.15 -0.04 2.12 2.20 2qt6A1 VAL 405 HG13 -0.02 -0.05 -0.23 -0.04 0.97 0.63 2qt6A1 VAL 405 HG23 0.16 0.01 -0.13 -0.04 0.95 0.95 2qt6A1 VAL 406 H -0.09 0.36 0.18 -0.55 8.24 8.14 2qt6A1 VAL 406 HA -0.15 0.17 0.56 -0.75 4.13 3.96 2qt6A1 VAL 406 HB -0.04 0.03 -0.01 -0.04 2.12 2.07 2qt6A1 VAL 406 HG13 -0.27 -0.03 -0.27 -0.04 0.97 0.36 2qt6A1 VAL 406 HG23 -0.05 0.05 -0.08 -0.04 0.95 0.83 2qt6A1 ARG 407 H -0.12 0.41 0.12 -0.55 8.46 8.31 2qt6A1 ARG 407 HA -0.28 0.26 0.92 -0.75 4.34 4.49 2qt6A1 ARG 407 HB2 -0.98 -0.02 -0.07 -0.04 1.90 0.79 2qt6A1 ARG 407 HB3 -0.31 -0.06 0.14 -0.04 1.80 1.53 2qt6A1 ARG 407 HG2 -0.24 -0.09 -0.36 -0.04 1.67 0.94 2qt6A1 ARG 407 HG3 -0.39 0.09 -0.08 -0.04 1.67 1.25 2qt6A1 ARG 407 HD2 -1.11 -0.01 -0.24 -0.04 3.22 1.82 2qt6A1 ARG 407 HD3 -0.34 0.11 -0.07 -0.04 3.22 2.88 2qt6A1 SER 408 H -0.13 0.16 0.05 -0.55 8.46 7.99 2qt6A1 SER 408 HA -0.07 0.14 0.68 -0.75 4.49 4.50 2qt6A1 SER 408 HB2 -0.05 -0.03 -0.00 -0.04 3.95 3.82 2qt6A1 SER 408 HB3 -0.03 0.02 0.05 -0.04 3.93 3.93 2qt6A1 ALA 409 H -0.06 0.18 0.14 -0.55 8.40 8.11 2qt6A1 ALA 409 HA -0.04 0.03 0.48 -0.75 4.34 4.06 2qt6A1 ALA 409 HB3 -0.05 0.02 -0.01 -0.04 1.41 1.33 2qt6A1 GLY 410 H -0.01 0.12 0.15 -0.55 8.43 8.14 2qt6A1 GLY 410 HA2 0.00 0.01 0.32 -0.51 4.01 3.83 2qt6A1 GLY 410 HA3 0.01 0.07 0.45 -0.51 4.01 4.02 2qt6A1 SER 411 H -0.04 0.36 -0.23 -0.55 8.46 8.00 2qt6A1 SER 411 HA -0.03 0.11 0.83 -0.75 4.49 4.65 2qt6A1 SER 411 HB2 -0.03 0.01 -0.15 -0.04 3.95 3.73 2qt6A1 SER 411 HB3 -0.08 0.11 -0.03 -0.04 3.93 3.89 2qt6A1 THR 412 H -0.03 0.12 0.13 -0.55 8.28 7.95 2qt6A1 THR 412 HA -0.07 0.29 0.98 -0.75 4.39 4.83 2qt6A1 THR 412 HB 0.03 0.01 0.15 -0.04 4.32 4.47 2qt6A1 THR 412 HG23 0.00 0.01 -0.06 -0.04 1.22 1.13 2qt6A1 SER 413 H -0.08 -0.03 -0.07 -0.55 8.46 7.74 2qt6A1 SER 413 HA 0.04 0.17 0.71 -0.75 4.49 4.65 2qt6A1 SER 413 HB2 0.01 0.06 0.02 -0.04 3.95 4.00 2qt6A1 SER 413 HB3 0.01 -0.03 0.03 -0.04 3.93 3.90 2qt6A1 TYR 414 H 0.15 0.16 0.16 -0.55 8.29 8.21 2qt6A1 TYR 414 HA -0.20 0.34 0.75 -0.75 4.56 4.70 2qt6A1 TYR 414 HB2 -0.03 -0.05 0.08 -0.04 3.06 3.02 2qt6A1 TYR 414 HB3 -0.54 0.01 -0.18 -0.04 2.98 2.24 2qt6A1 TYR 414 HD2 -0.06 -0.02 -0.12 -0.04 7.15 6.91 2qt6A1 TYR 414 HE2 -0.01 0.02 -0.07 -0.04 6.85 6.75 2qt6A1 ASN 415 H -0.23 0.80 0.23 -0.55 8.53 8.78 2qt6A1 ASN 415 HA -0.06 0.05 0.88 -0.75 4.76 4.89 2qt6A1 ASN 415 HB2 -0.02 -0.01 -0.00 -0.04 2.88 2.81 2qt6A1 ASN 415 HB3 -0.06 0.17 0.25 -0.04 2.79 3.11 2qt6A1 ASN 415 HD21 0.16 0.02 -0.25 -0.04 7.03 6.92 2qt6A1 ASN 415 HD22 0.12 0.11 -0.07 -0.04 7.74 7.86 2qt6A1 TYR 416 H 0.06 0.19 0.09 -0.55 8.29 8.08 2qt6A1 TYR 416 HA 0.06 0.28 0.90 -0.75 4.56 5.05 2qt6A1 TYR 416 HB2 0.05 -0.02 0.04 -0.04 3.06 3.09 2qt6A1 TYR 416 HB3 0.05 0.10 0.10 -0.04 2.98 3.19 2qt6A1 TYR 416 HD2 0.05 0.07 -0.11 -0.04 7.15 7.11 2qt6A1 TYR 416 HE2 0.03 0.02 -0.21 -0.04 6.85 6.64 2qt6A1 ASP 417 H 0.09 -0.06 -0.18 -0.55 8.40 7.71 2qt6A1 ASP 417 HA 0.12 0.19 0.72 -0.75 4.63 4.90 2qt6A1 ASP 417 HB2 0.07 -0.06 0.11 -0.04 2.71 2.79 2qt6A1 ASP 417 HB3 0.07 0.04 -0.01 -0.04 2.70 2.76 2qt6A1 ASP 418 H 0.10 -0.05 -0.01 -0.55 8.40 7.90 2qt6A1 ASP 418 HA 0.19 0.27 0.73 -0.75 4.63 5.07 2qt6A1 ASP 418 HB2 0.12 0.06 0.11 -0.04 2.71 2.95 2qt6A1 ASP 418 HB3 0.06 -0.00 -0.26 -0.04 2.70 2.46 2qt6A1 PRO 419 HA 0.11 0.07 0.51 -0.51 4.44 4.61 2qt6A1 PRO 419 HB2 -0.09 0.06 -0.16 -0.04 2.28 2.05 2qt6A1 PRO 419 HB3 -0.04 0.04 0.10 -0.04 2.02 2.08 2qt6A1 PRO 419 HG2 -0.09 0.03 -0.13 -0.04 2.03 1.80 2qt6A1 PRO 419 HG3 -0.07 0.09 -0.09 -0.04 2.03 1.93 2qt6A1 PRO 419 HD2 0.16 0.19 -0.34 -0.04 3.68 3.65 2qt6A1 PRO 419 HD3 0.07 -0.13 -0.24 -0.04 3.65 3.31 2qt6A1 VAL 420 H -0.01 0.15 0.24 -0.55 8.24 8.07 2qt6A1 VAL 420 HA 0.15 0.01 0.44 -0.75 4.13 3.97 2qt6A1 VAL 420 HB -0.03 0.24 0.13 -0.04 2.12 2.42 2qt6A1 VAL 420 HG13 -0.01 -0.04 -0.01 -0.04 0.97 0.86 2qt6A1 VAL 420 HG23 0.05 0.00 -0.14 -0.04 0.95 0.82 2qt6A1 TRP 421 H 0.34 0.15 0.17 -0.55 7.97 8.08 2qt6A1 TRP 421 HA -0.01 0.36 0.87 -0.75 4.62 5.09 2qt6A1 TRP 421 HB2 0.02 -0.05 0.13 -0.04 3.23 3.29 2qt6A1 TRP 421 HB3 -0.01 -0.03 -0.05 -0.04 3.23 3.10 2qt6A1 TRP 421 HD1 0.06 0.08 -0.08 -0.04 7.22 7.24 2qt6A1 TRP 421 HE1 0.08 0.34 -0.10 -0.04 10.20 10.47 2qt6A1 TRP 421 HE3 0.04 -0.06 -0.42 -0.04 7.59 7.11 2qt6A1 TRP 421 HZ2 0.08 0.26 -0.12 -0.04 7.44 7.63 2qt6A1 TRP 421 HZ3 0.13 0.09 0.02 -0.04 7.13 7.33 2qt6A1 TRP 421 HH2 0.11 -0.11 0.01 -0.04 7.19 7.15 2qt6A1 ARG 422 H -0.29 0.59 0.31 -0.55 8.46 8.52 2qt6A1 ARG 422 HA -0.09 0.23 0.57 -0.75 4.34 4.29 2qt6A1 ARG 422 HB2 -0.14 -0.13 0.16 -0.04 1.90 1.75 2qt6A1 ARG 422 HB3 -0.07 0.09 -0.29 -0.04 1.80 1.49 2qt6A1 ARG 422 HG2 -0.11 0.02 -0.19 -0.04 1.67 1.34 2qt6A1 ARG 422 HG3 -0.18 -0.03 -0.22 -0.04 1.67 1.20 2qt6A1 ARG 422 HD2 -0.00 -0.04 -0.05 -0.04 3.22 3.08 2qt6A1 ARG 422 HD3 0.03 -0.02 0.02 -0.04 3.22 3.22 2qt6A1 ASP 423 H -0.16 0.02 0.26 -0.55 8.40 7.97 2qt6A1 ASP 423 HA -0.68 0.22 1.03 -0.75 4.63 4.45 2qt6A1 ASP 423 HB2 0.16 0.12 0.25 -0.04 2.71 3.21 2qt6A1 ASP 423 HB3 -0.01 0.08 0.07 -0.04 2.70 2.80 2qt6A1 VAL 424 H -0.01 0.02 0.17 -0.55 8.24 7.87 2qt6A1 VAL 424 HA 0.29 0.44 0.87 -0.75 4.13 4.98 2qt6A1 VAL 424 HB 0.02 -0.15 -0.04 -0.04 2.12 1.92 2qt6A1 VAL 424 HG13 0.06 0.07 -0.35 -0.04 0.97 0.71 2qt6A1 VAL 424 HG23 0.10 0.00 -0.28 -0.04 0.95 0.73 2qt6A1 VAL 425 H 0.11 0.69 0.15 -0.55 8.24 8.65 2qt6A1 VAL 425 HA 0.00 0.10 0.92 -0.75 4.13 4.39 2qt6A1 VAL 425 HB 0.31 0.03 -0.29 -0.04 2.12 2.14 2qt6A1 VAL 425 HG13 -0.17 0.02 -0.15 -0.04 0.97 0.64 2qt6A1 VAL 425 HG23 -0.02 0.05 -0.07 -0.04 0.95 0.86 2qt6A1 SER 426 H -0.33 0.12 0.11 -0.55 8.46 7.82 2qt6A1 SER 426 HA -0.34 0.11 0.52 -0.75 4.49 4.02 2qt6A1 SER 426 HB2 -2.20 0.05 0.07 -0.04 3.95 1.83 2qt6A1 SER 426 HB3 -0.62 -0.01 0.14 -0.04 3.93 3.40 2qt6A1 THR 427 H -0.03 0.56 0.20 -0.55 8.28 8.47 2qt6A1 THR 427 HA -0.04 0.12 0.73 -0.75 4.39 4.45 2qt6A1 THR 427 HB 0.15 0.14 0.19 -0.04 4.32 4.75 2qt6A1 THR 427 HG23 -0.20 0.01 0.01 -0.04 1.22 1.00 2qt6A1 GLY 428 H -0.07 -0.01 -0.22 -0.55 8.43 7.58 2qt6A1 GLY 428 HA2 0.01 0.02 0.25 -0.51 4.01 3.78 2qt6A1 GLY 428 HA3 0.01 0.01 0.27 -0.51 4.01 3.79 2qt6A1 THR 429 H 0.04 0.14 0.23 -0.55 8.28 8.14 2qt6A1 THR 429 HA 0.07 0.31 0.96 -0.75 4.39 4.98 2qt6A1 THR 429 HB 0.04 0.00 0.07 -0.04 4.32 4.38 2qt6A1 THR 429 HG23 0.04 0.02 -0.26 -0.04 1.22 0.98 2qt6A1 PRO 430 HA 0.04 0.23 0.47 -0.51 4.44 4.67 2qt6A1 PRO 430 HB2 0.04 0.07 -0.07 -0.04 2.28 2.28 2qt6A1 PRO 430 HB3 0.06 0.05 -0.19 -0.04 2.02 1.90 2qt6A1 PRO 430 HG2 0.04 0.05 -0.01 -0.04 2.03 2.07 2qt6A1 PRO 430 HG3 0.08 0.08 -0.38 -0.04 2.03 1.77 2qt6A1 PRO 430 HD2 0.06 0.12 0.18 -0.04 3.68 3.99 2qt6A1 PRO 430 HD3 0.11 0.21 0.05 -0.04 3.65 3.98 2qt6A1 GLN 431 H 0.03 0.12 -0.16 -0.55 8.47 7.92 2qt6A1 GLN 431 HA 0.02 0.12 0.40 -0.75 4.36 4.15 2qt6A1 GLN 431 HB2 0.02 -0.06 0.01 -0.04 2.15 2.08 2qt6A1 GLN 431 HB3 0.02 0.06 -0.04 -0.04 2.02 2.01 2qt6A1 GLN 431 HG2 0.01 0.05 0.00 -0.04 2.40 2.42 2qt6A1 GLN 431 HG3 0.01 0.04 0.02 -0.04 2.39 2.42 2qt6A1 GLN 431 HE21 0.01 0.02 -0.00 -0.04 6.97 6.97 2qt6A1 GLN 431 HE22 0.01 0.04 -0.01 -0.04 7.69 7.69 2qt6A1 ALA 432 H 0.02 0.03 -0.36 -0.55 8.40 7.55 2qt6A1 ALA 432 HA 0.01 0.18 0.62 -0.75 4.34 4.40 2qt6A1 ALA 432 HB3 0.02 -0.02 0.07 -0.04 1.41 1.44 2qt6A1 GLY 433 H 0.02 0.31 -0.51 -0.55 8.43 7.70 2qt6A1 GLY 433 HA2 0.02 0.08 0.31 -0.51 4.01 3.91 2qt6A1 GLY 433 HA3 0.01 0.03 0.39 -0.51 4.01 3.94 2qt6A1 ASP 434 H 0.02 0.20 -0.05 -0.55 8.40 8.02 2qt6A1 ASP 434 HA -0.01 0.14 0.29 -0.75 4.63 4.29 2qt6A1 ASP 434 HB2 0.03 0.02 0.13 -0.04 2.71 2.84 2qt6A1 ASP 434 HB3 -0.00 0.06 -0.03 -0.04 2.70 2.69 2qt6A1 ASN 435 H -0.04 0.22 -0.07 -0.55 8.53 8.10 2qt6A1 ASN 435 HA -0.02 0.04 0.48 -0.75 4.76 4.50 2qt6A1 ASN 435 HB2 0.01 0.11 -0.16 -0.04 2.88 2.79 2qt6A1 ASN 435 HB3 0.03 0.01 0.11 -0.04 2.79 2.90 2qt6A1 ASN 435 HD21 -0.01 -0.04 -0.04 -0.04 7.03 6.90 2qt6A1 ASN 435 HD22 0.04 0.01 -0.02 -0.04 7.74 7.73 2qt6A1 VAL 436 H 0.00 0.18 -0.11 -0.55 8.24 7.76 2qt6A1 VAL 436 HA -0.06 0.23 0.30 -0.75 4.13 3.84 2qt6A1 VAL 436 HB 0.01 0.00 0.10 -0.04 2.12 2.19 2qt6A1 VAL 436 HG13 -0.05 0.05 -0.16 -0.04 0.97 0.77 2qt6A1 VAL 436 HG23 -0.05 0.02 -0.08 -0.04 0.95 0.80 2qt6A1 THR 437 H -0.05 0.46 0.34 -0.55 8.28 8.48 2qt6A1 THR 437 HA 0.02 0.29 1.09 -0.75 4.39 5.04 2qt6A1 THR 437 HB 0.02 -0.15 0.13 -0.04 4.32 4.29 2qt6A1 THR 437 HG23 0.09 -0.01 -0.12 -0.04 1.22 1.14 2qt6A1 ILE 438 H 0.01 0.66 0.39 -0.55 8.25 8.75 2qt6A1 ILE 438 HA -0.03 0.30 1.20 -0.75 4.18 4.89 2qt6A1 ILE 438 HB -0.16 0.04 -0.03 -0.04 1.89 1.70 2qt6A1 ILE 438 HG12 0.07 0.08 0.03 -0.04 1.49 1.63 2qt6A1 ILE 438 HG13 0.07 -0.04 -0.31 -0.04 1.21 0.88 2qt6A1 ILE 438 HG23 -0.34 -0.01 -0.28 -0.04 0.93 0.26 2qt6A1 ILE 438 HD13 -0.43 0.00 -0.21 -0.04 0.88 0.20 2qt6A1 ARG 439 H -0.06 0.49 0.41 -0.55 8.46 8.74 2qt6A1 ARG 439 HA -0.04 0.39 1.02 -0.75 4.34 4.96 2qt6A1 ARG 439 HB2 -0.08 -0.05 0.14 -0.04 1.90 1.87 2qt6A1 ARG 439 HB3 -0.00 0.04 0.08 -0.04 1.80 1.88 2qt6A1 ARG 439 HG2 0.02 -0.00 -0.36 -0.04 1.67 1.29 2qt6A1 ARG 439 HG3 0.07 -0.01 -0.12 -0.04 1.67 1.57 2qt6A1 ARG 439 HD2 0.04 0.41 -0.07 -0.04 3.22 3.57 2qt6A1 ARG 439 HD3 -0.03 -0.02 -0.12 -0.04 3.22 3.01 2qt6A1 PHE 440 H -0.28 0.50 0.42 -0.55 8.34 8.42 2qt6A1 PHE 440 HA 0.22 0.13 0.56 -0.75 4.62 4.77 2qt6A1 PHE 440 HB2 0.12 0.06 0.23 -0.04 3.15 3.52 2qt6A1 PHE 440 HB3 0.13 0.10 0.12 -0.04 3.06 3.37 2qt6A1 PHE 440 HD2 -0.26 0.02 -0.34 -0.04 7.28 6.66 2qt6A1 PHE 440 HE2 -0.19 -0.03 -0.23 -0.04 7.38 6.89 2qt6A1 PHE 440 HZ -0.07 -0.02 -0.19 -0.04 7.32 7.00 2qt6A1 GLN 441 H 0.37 0.26 0.23 -0.55 8.47 8.78 2qt6A1 GLN 441 HA -0.01 0.34 1.01 -0.75 4.36 4.94 2qt6A1 GLN 441 HB2 0.14 -0.00 -0.04 -0.04 2.15 2.21 2qt6A1 GLN 441 HB3 0.15 0.02 0.07 -0.04 2.02 2.23 2qt6A1 GLN 441 HG2 0.07 0.01 -0.13 -0.04 2.40 2.31 2qt6A1 GLN 441 HG3 0.07 -0.06 -0.21 -0.04 2.39 2.16 2qt6A1 GLN 441 HE21 0.03 0.04 -0.33 -0.04 6.97 6.66 2qt6A1 GLN 441 HE22 0.04 -0.04 -0.31 -0.04 7.69 7.35 2qt6A1 THR 442 H 0.04 0.42 0.21 -0.55 8.28 8.40 2qt6A1 THR 442 HA 0.32 0.19 0.59 -0.75 4.39 4.74 2qt6A1 THR 442 HB 0.17 -0.07 -0.02 -0.04 4.32 4.36 2qt6A1 THR 442 HG23 0.10 0.03 -0.15 -0.04 1.22 1.17 2qt6A1 ASP 443 H 0.24 0.42 0.15 -0.55 8.40 8.67 2qt6A1 ASP 443 HA 0.10 0.12 0.94 -0.75 4.63 5.03 2qt6A1 ASP 443 HB2 0.03 0.09 0.07 -0.04 2.71 2.85 2qt6A1 ASP 443 HB3 0.04 0.00 0.17 -0.04 2.70 2.87 2qt6A1 ASN 444 H 0.22 0.08 -0.30 -0.55 8.53 7.97 2qt6A1 ASN 444 HA 0.12 0.18 0.91 -0.75 4.76 5.22 2qt6A1 ASN 444 HB2 -0.22 -0.02 -0.23 -0.04 2.88 2.37 2qt6A1 ASN 444 HB3 -0.22 0.01 0.10 -0.04 2.79 2.64 2qt6A1 ASN 444 HD21 -0.55 0.37 0.01 -0.04 7.03 6.82 2qt6A1 ASN 444 HD22 -1.00 0.37 0.16 -0.04 7.74 7.23 2qt6A1 PRO 445 HA 0.21 0.12 0.35 -0.51 4.44 4.62 2qt6A1 PRO 445 HB2 0.09 0.03 -0.06 -0.04 2.28 2.31 2qt6A1 PRO 445 HB3 0.08 0.04 -0.17 -0.04 2.02 1.93 2qt6A1 PRO 445 HG2 0.09 0.03 -0.01 -0.04 2.03 2.10 2qt6A1 PRO 445 HG3 0.11 -0.05 -0.06 -0.04 2.03 1.99 2qt6A1 PRO 445 HD2 0.13 0.12 0.13 -0.04 3.68 4.02 2qt6A1 PRO 445 HD3 0.13 0.08 -0.27 -0.04 3.65 3.56 2qt6A1 GLY 446 H 0.06 0.48 0.25 -0.55 8.43 8.67 2qt6A1 GLY 446 HA2 -0.25 -0.02 0.32 -0.51 4.01 3.54 2qt6A1 GLY 446 HA3 -0.61 0.16 0.59 -0.51 4.01 3.64 2qt6A1 PRO 447 HA -0.18 0.21 0.90 -0.51 4.44 4.86 2qt6A1 PRO 447 HB2 -0.16 0.01 -0.14 -0.04 2.28 1.95 2qt6A1 PRO 447 HB3 -0.10 -0.02 -0.04 -0.04 2.02 1.82 2qt6A1 PRO 447 HG2 -0.29 0.05 0.05 -0.04 2.03 1.80 2qt6A1 PRO 447 HG3 -0.14 0.00 -0.10 -0.04 2.03 1.76 2qt6A1 PRO 447 HD2 -0.43 0.12 0.18 -0.04 3.68 3.51 2qt6A1 PRO 447 HD3 -0.21 0.09 0.06 -0.04 3.65 3.55 2qt6A1 TRP 448 H 0.08 0.69 0.27 -0.55 7.97 8.46 2qt6A1 TRP 448 HA 0.00 0.12 0.81 -0.75 4.62 4.80 2qt6A1 TRP 448 HB2 0.12 -0.05 0.06 -0.04 3.23 3.33 2qt6A1 TRP 448 HB3 0.12 0.06 -0.15 -0.04 3.23 3.23 2qt6A1 TRP 448 HD1 0.19 -0.10 -0.02 -0.04 7.22 7.25 2qt6A1 TRP 448 HE1 0.08 0.51 -0.09 -0.04 10.20 10.66 2qt6A1 TRP 448 HE3 0.09 -0.11 -0.10 -0.04 7.59 7.42 2qt6A1 TRP 448 HZ2 -0.01 -0.01 -0.21 -0.04 7.44 7.17 2qt6A1 TRP 448 HZ3 0.03 -0.06 -0.04 -0.04 7.13 7.01 2qt6A1 TRP 448 HH2 -0.03 0.06 -0.07 -0.04 7.19 7.12 2qt6A1 PHE 449 H 0.01 0.11 0.12 -0.55 8.34 8.03 2qt6A1 PHE 449 HA -0.08 0.13 0.51 -0.75 4.62 4.42 2qt6A1 PHE 449 HB2 -0.68 -0.05 0.10 -0.04 3.15 2.48 2qt6A1 PHE 449 HB3 -0.43 0.01 -0.08 -0.04 3.06 2.53 2qt6A1 PHE 449 HD2 -0.35 0.08 -0.01 -0.04 7.28 6.95 2qt6A1 PHE 449 HE2 -0.87 0.01 -0.18 -0.04 7.38 6.29 2qt6A1 PHE 449 HZ -0.58 0.04 -0.18 -0.04 7.32 6.57 2qt6A1 LEU 450 H 0.13 0.66 0.33 -0.55 8.37 8.94 2qt6A1 LEU 450 HA 0.00 0.34 0.95 -0.75 4.35 4.89 2qt6A1 LEU 450 HB2 0.12 0.03 -0.10 -0.04 1.64 1.65 2qt6A1 LEU 450 HB3 0.14 -0.04 -0.01 -0.04 1.64 1.69 2qt6A1 LEU 450 HG 0.30 -0.03 -0.34 -0.04 1.64 1.53 2qt6A1 LEU 450 HD13 0.14 0.04 -0.24 -0.04 0.93 0.84 2qt6A1 LEU 450 HD23 0.14 -0.02 -0.19 -0.04 0.89 0.78 2qt6A1 HIS 451 H -0.35 0.55 0.29 -0.55 8.41 8.35 2qt6A1 HIS 451 HA -0.39 0.12 0.91 -0.75 4.63 4.51 2qt6A1 HIS 451 HB2 -0.53 0.18 0.10 -0.04 3.26 2.97 2qt6A1 HIS 451 HB3 -0.87 -0.03 -0.28 -0.04 3.20 1.97 2qt6A1 HIS 451 HD2 -0.56 -0.10 -0.29 -0.04 6.97 5.98 2qt6A1 HIS 451 HE1 -0.50 -0.02 -0.19 -0.04 7.75 7.00 2qt6A1 CYS 452 H -0.97 0.51 0.21 -0.55 8.50 7.70 2qt6A1 CYS 452 HA -1.14 0.08 0.53 -0.75 4.58 3.29 2qt6A1 CYS 452 HB2 -1.25 0.01 0.03 -0.04 2.97 1.72 2qt6A1 CYS 452 HB3 -0.30 0.03 0.06 -0.04 2.97 2.72 2qt6A1 HIS 453 H -0.08 0.73 0.27 -0.55 8.41 8.79 2qt6A1 HIS 453 HA 0.15 0.15 0.47 -0.75 4.63 4.64 2qt6A1 HIS 453 HB2 0.01 0.06 -0.01 -0.04 3.26 3.28 2qt6A1 HIS 453 HB3 0.08 0.01 -0.07 -0.04 3.20 3.17 2qt6A1 HIS 453 HD2 0.10 -0.00 -0.13 -0.04 6.97 6.89 2qt6A1 HIS 453 HE1 -0.38 -0.01 -0.08 -0.04 7.75 7.24 2qt6A1 ILE 454 H 0.01 0.03 -0.23 -0.55 8.25 7.50 2qt6A1 ILE 454 HA 0.01 0.25 0.70 -0.75 4.18 4.39 2qt6A1 ILE 454 HB -0.28 -0.06 0.14 -0.04 1.89 1.65 2qt6A1 ILE 454 HG12 0.04 0.09 0.13 -0.04 1.49 1.71 2qt6A1 ILE 454 HG13 0.05 -0.08 0.06 -0.04 1.21 1.20 2qt6A1 ILE 454 HG23 -0.36 -0.05 0.05 -0.04 0.93 0.52 2qt6A1 ILE 454 HD13 0.05 0.01 0.03 -0.04 0.88 0.93 2qt6A1 ASP 455 H -0.22 0.63 0.30 -0.55 8.40 8.57 2qt6A1 ASP 455 HA -0.23 0.09 0.16 -0.75 4.63 3.90 2qt6A1 ASP 455 HB2 -0.61 0.10 0.23 -0.04 2.71 2.39 2qt6A1 ASP 455 HB3 -0.87 -0.05 0.11 -0.04 2.70 1.85 2qt6A1 PHE 456 H -0.43 0.15 -0.15 -0.55 8.34 7.35 2qt6A1 PHE 456 HA 0.01 0.08 0.41 -0.75 4.62 4.37 2qt6A1 PHE 456 HB2 0.17 -0.06 0.03 -0.04 3.15 3.24 2qt6A1 PHE 456 HB3 0.19 0.29 0.16 -0.04 3.06 3.65 2qt6A1 PHE 456 HD2 -0.07 0.05 0.03 -0.04 7.28 7.25 2qt6A1 PHE 456 HE2 -0.19 -0.05 -0.05 -0.04 7.38 7.06 2qt6A1 PHE 456 HZ -0.79 -0.05 -0.03 -0.04 7.32 6.41 2qt6A1 HIS 457 H 0.09 0.23 -0.35 -0.55 8.41 7.84 2qt6A1 HIS 457 HA 0.31 0.11 0.56 -0.75 4.63 4.86 2qt6A1 HIS 457 HB2 -0.07 0.14 0.07 -0.04 3.26 3.36 2qt6A1 HIS 457 HB3 -0.61 -0.04 -0.02 -0.04 3.20 2.50 2qt6A1 HIS 457 HD2 0.40 0.01 -0.28 -0.04 6.97 7.05 2qt6A1 HIS 457 HE1 0.02 0.12 0.01 -0.04 7.75 7.86 2qt6A1 LEU 458 H 0.02 0.53 -0.05 -0.55 8.37 8.33 2qt6A1 LEU 458 HA -0.02 0.01 0.43 -0.75 4.35 4.01 2qt6A1 LEU 458 HB2 -0.18 0.26 0.04 -0.04 1.64 1.72 2qt6A1 LEU 458 HB3 -0.15 0.04 0.07 -0.04 1.64 1.57 2qt6A1 LEU 458 HG -0.10 -0.01 -0.39 -0.04 1.64 1.11 2qt6A1 LEU 458 HD13 -0.47 -0.02 -0.13 -0.04 0.93 0.26 2qt6A1 LEU 458 HD23 -0.46 -0.00 -0.12 -0.04 0.89 0.27 2qt6A1 ASP 459 H 0.04 0.60 -0.23 -0.55 8.40 8.26 2qt6A1 ASP 459 HA 0.09 0.02 0.32 -0.75 4.63 4.31 2qt6A1 ASP 459 HB2 -0.01 -0.01 -0.02 -0.04 2.71 2.63 2qt6A1 ASP 459 HB3 0.08 0.13 0.05 -0.04 2.70 2.92 2qt6A1 ALA 460 H 0.27 0.21 -0.54 -0.55 8.40 7.79 2qt6A1 ALA 460 HA 0.18 0.11 0.77 -0.75 4.34 4.65 2qt6A1 ALA 460 HB3 0.57 0.01 0.23 -0.04 1.41 2.17 2qt6A1 GLY 461 H 0.20 0.51 -0.39 -0.55 8.43 8.20 2qt6A1 GLY 461 HA2 0.25 0.35 0.37 -0.51 4.01 4.47 2qt6A1 GLY 461 HA3 0.14 0.06 0.49 -0.51 4.01 4.19 2qt6A1 PHE 462 H 0.24 0.47 0.08 -0.55 8.34 8.58 2qt6A1 PHE 462 HA 0.07 0.09 0.30 -0.75 4.62 4.33 2qt6A1 PHE 462 HB2 -0.43 0.12 -0.06 -0.04 3.15 2.74 2qt6A1 PHE 462 HB3 -0.34 -0.11 0.02 -0.04 3.06 2.59 2qt6A1 PHE 462 HD2 -0.38 0.02 -0.14 -0.04 7.28 6.74 2qt6A1 PHE 462 HE2 -0.96 0.02 -0.05 -0.04 7.38 6.34 2qt6A1 PHE 462 HZ -1.80 -0.03 -0.05 -0.04 7.32 5.40 2qt6A1 ALA 463 H 0.27 0.60 0.26 -0.55 8.40 8.98 2qt6A1 ALA 463 HA -0.06 0.12 0.89 -0.75 4.34 4.53 2qt6A1 ALA 463 HB3 -0.47 0.01 -0.18 -0.04 1.41 0.72 2qt6A1 VAL 464 H 0.05 0.71 0.41 -0.55 8.24 8.86 2qt6A1 VAL 464 HA 0.44 0.21 0.61 -0.75 4.13 4.64 2qt6A1 VAL 464 HB 0.44 0.07 0.11 -0.04 2.12 2.70 2qt6A1 VAL 464 HG13 0.34 -0.02 -0.12 -0.04 0.97 1.14 2qt6A1 VAL 464 HG23 0.11 -0.03 -0.17 -0.04 0.95 0.82 2qt6A1 VAL 465 H 0.40 0.71 0.35 -0.55 8.24 9.15 2qt6A1 VAL 465 HA 0.27 0.18 0.92 -0.75 4.13 4.74 2qt6A1 VAL 465 HB 0.25 -0.05 -0.01 -0.04 2.12 2.27 2qt6A1 VAL 465 HG13 0.08 -0.02 -0.42 -0.04 0.97 0.57 2qt6A1 VAL 465 HG23 0.19 0.01 -0.25 -0.04 0.95 0.85 2qt6A1 MET 466 H 0.24 0.80 0.22 -0.55 8.47 9.18 2qt6A1 MET 466 HA 0.26 0.13 0.75 -0.75 4.52 4.90 2qt6A1 MET 466 HB2 0.34 0.08 0.20 -0.04 2.15 2.72 2qt6A1 MET 466 HB3 0.30 -0.03 -0.04 -0.04 2.03 2.22 2qt6A1 MET 466 HG2 0.18 -0.00 -0.15 -0.04 2.63 2.62 2qt6A1 MET 466 HG3 0.18 0.02 -0.12 -0.04 2.56 2.60 2qt6A1 MET 466 HE3 -0.02 0.02 -0.31 -0.04 2.10 1.75 2qt6A1 ALA 467 H 0.18 0.83 0.20 -0.55 8.40 9.06 2qt6A1 ALA 467 HA 0.04 0.10 0.67 -0.75 4.34 4.40 2qt6A1 ALA 467 HB3 0.07 -0.02 -0.08 -0.04 1.41 1.34 2qt6A1 GLU 468 H 0.13 0.76 0.14 -0.55 8.60 9.09 2qt6A1 GLU 468 HA 0.20 0.01 0.53 -0.75 4.29 4.27 2qt6A1 GLU 468 HB2 0.49 0.03 -0.02 -0.04 2.09 2.54 2qt6A1 GLU 468 HB3 0.45 0.21 0.22 -0.04 1.99 2.82 2qt6A1 GLU 468 HG2 0.29 -0.10 -0.46 -0.04 2.34 2.03 2qt6A1 GLU 468 HG3 0.27 -0.03 -0.18 -0.04 2.34 2.36 2qt6A1 ASP 469 H 0.12 0.72 0.26 -0.55 8.40 8.95 2qt6A1 ASP 469 HA 0.08 0.01 0.39 -0.75 4.63 4.35 2qt6A1 ASP 469 HB2 0.11 0.01 -0.13 -0.04 2.71 2.66 2qt6A1 ASP 469 HB3 0.11 0.09 -0.03 -0.04 2.70 2.83 2qt6A1 ILE 470 H 0.06 0.16 -0.16 -0.55 8.25 7.76 2qt6A1 ILE 470 HA 0.03 0.06 0.23 -0.75 4.18 3.74 2qt6A1 ILE 470 HB 0.04 -0.00 0.03 -0.04 1.89 1.91 2qt6A1 ILE 470 HG12 0.03 0.03 -0.18 -0.04 1.49 1.33 2qt6A1 ILE 470 HG13 0.05 0.07 -0.17 -0.04 1.21 1.12 2qt6A1 ILE 470 HG23 0.02 0.00 -0.19 -0.04 0.93 0.72 2qt6A1 ILE 470 HD13 0.04 -0.02 -0.28 -0.04 0.88 0.58 2qt6A1 PRO 471 HA 0.02 0.11 0.37 -0.51 4.44 4.42 2qt6A1 PRO 471 HB2 0.03 0.01 -0.07 -0.04 2.28 2.22 2qt6A1 PRO 471 HB3 0.02 0.03 0.07 -0.04 2.02 2.10 2qt6A1 PRO 471 HG2 0.03 0.01 0.02 -0.04 2.03 2.05 2qt6A1 PRO 471 HG3 0.03 0.07 0.04 -0.04 2.03 2.13 2qt6A1 PRO 471 HD2 0.04 -0.02 -0.21 -0.04 3.68 3.45 2qt6A1 PRO 471 HD3 0.04 0.08 0.04 -0.04 3.65 3.77 2qt6A1 ASN 472 H 0.04 0.52 -0.31 -0.55 8.53 8.23 2qt6A1 ASN 472 HA 0.03 0.15 0.97 -0.75 4.76 5.15 2qt6A1 ASN 472 HB2 0.05 0.04 0.07 -0.04 2.88 3.00 2qt6A1 ASN 472 HB3 0.04 -0.02 0.15 -0.04 2.79 2.92 2qt6A1 ASN 472 HD21 0.03 -0.01 -0.04 -0.04 7.03 6.97 2qt6A1 ASN 472 HD22 0.04 0.01 -0.02 -0.04 7.74 7.73 2qt6A1 THR 473 H 0.02 0.48 -0.08 -0.55 8.28 8.14 2qt6A1 THR 473 HA 0.00 0.06 0.15 -0.75 4.39 3.85 2qt6A1 THR 473 HB -0.01 0.09 0.07 -0.04 4.32 4.42 2qt6A1 THR 473 HG23 -0.08 0.00 -0.18 -0.04 1.22 0.93 2qt6A1 VAL 474 H 0.00 0.16 -0.27 -0.55 8.24 7.59 2qt6A1 VAL 474 HA -0.03 0.13 0.28 -0.75 4.13 3.76 2qt6A1 VAL 474 HB 0.00 -0.01 0.01 -0.04 2.12 2.08 2qt6A1 VAL 474 HG13 -0.01 0.01 -0.11 -0.04 0.97 0.82 2qt6A1 VAL 474 HG23 -0.00 0.02 -0.10 -0.04 0.95 0.83 2qt6A1 ASN 475 H 0.01 0.05 -0.23 -0.55 8.53 7.81 2qt6A1 ASN 475 HA 0.01 0.01 0.29 -0.75 4.76 4.32 2qt6A1 ASN 475 HB2 0.03 0.08 0.06 -0.04 2.88 3.01 2qt6A1 ASN 475 HB3 0.02 -0.03 0.05 -0.04 2.79 2.78 2qt6A1 ASN 475 HD21 0.02 0.02 0.05 -0.04 7.03 7.07 2qt6A1 ASN 475 HD22 0.02 -0.03 0.03 -0.04 7.74 7.72 2qt6A1 ALA 476 H 0.03 0.49 -0.32 -0.55 8.40 8.05 2qt6A1 ALA 476 HA 0.05 0.01 0.38 -0.75 4.34 4.03 2qt6A1 ALA 476 HB3 0.06 -0.02 0.09 -0.04 1.41 1.50 2qt6A1 ASN 477 H 0.01 0.29 -0.41 -0.55 8.53 7.87 2qt6A1 ASN 477 HA 0.11 0.38 0.90 -0.75 4.76 5.39 2qt6A1 ASN 477 HB2 -0.03 0.14 0.16 -0.04 2.88 3.11 2qt6A1 ASN 477 HB3 0.07 -0.19 0.08 -0.04 2.79 2.70 2qt6A1 ASN 477 HD21 0.01 0.47 0.02 -0.04 7.03 7.49 2qt6A1 ASN 477 HD22 -0.03 0.28 0.07 -0.04 7.74 8.02 2qt6A1 PRO 478 HA -0.06 0.01 0.46 -0.51 4.44 4.33 2qt6A1 PRO 478 HB2 -0.03 -0.05 -0.01 -0.04 2.28 2.15 2qt6A1 PRO 478 HB3 -0.01 -0.00 0.12 -0.04 2.02 2.08 2qt6A1 PRO 478 HG2 0.07 0.00 0.12 -0.04 2.03 2.18 2qt6A1 PRO 478 HG3 0.03 -0.02 0.08 -0.04 2.03 2.08 2qt6A1 PRO 478 HD2 0.08 0.34 0.11 -0.04 3.68 4.17 2qt6A1 PRO 478 HD3 0.03 0.24 -0.18 -0.04 3.65 3.70 2qt6A1 VAL 479 H -0.18 0.09 0.23 -0.55 8.24 7.82 2qt6A1 VAL 479 HA -0.96 0.25 0.92 -0.75 4.13 3.59 2qt6A1 VAL 479 HB -0.64 -0.02 0.07 -0.04 2.12 1.49 2qt6A1 VAL 479 HG13 -0.91 0.04 -0.02 -0.04 0.97 0.04 2qt6A1 VAL 479 HG23 -0.06 -0.02 0.01 -0.04 0.95 0.83 2qt6A1 PRO 480 HA -0.20 0.16 0.67 -0.51 4.44 4.55 2qt6A1 PRO 480 HB2 -0.21 -0.16 0.09 -0.04 2.28 1.96 2qt6A1 PRO 480 HB3 -0.34 0.13 0.14 -0.04 2.02 1.92 2qt6A1 PRO 480 HG2 -0.47 -0.22 0.12 -0.04 2.03 1.42 2qt6A1 PRO 480 HG3 -1.37 0.17 0.13 -0.04 2.03 0.92 2qt6A1 PRO 480 HD2 -1.73 0.10 0.26 -0.04 3.68 2.27 2qt6A1 PRO 480 HD3 -1.99 0.30 0.23 -0.04 3.65 2.15 2qt6A1 GLN 481 H -0.06 0.18 0.20 -0.55 8.47 8.24 2qt6A1 GLN 481 HA 0.02 0.12 0.39 -0.75 4.36 4.13 2qt6A1 GLN 481 HB2 -0.01 0.05 0.17 -0.04 2.15 2.31 2qt6A1 GLN 481 HB3 -0.00 -0.03 0.12 -0.04 2.02 2.07 2qt6A1 GLN 481 HG2 0.00 0.02 0.00 -0.04 2.40 2.38 2qt6A1 GLN 481 HG3 0.01 -0.00 -0.14 -0.04 2.39 2.22 2qt6A1 GLN 481 HE21 0.01 0.04 -0.01 -0.04 6.97 6.97 2qt6A1 GLN 481 HE22 0.01 -0.01 -0.02 -0.04 7.69 7.62 2qt6A1 ALA 482 H 0.02 0.08 -0.15 -0.55 8.40 7.80 2qt6A1 ALA 482 HA 0.09 0.08 0.38 -0.75 4.34 4.13 2qt6A1 ALA 482 HB3 0.19 0.03 0.09 -0.04 1.41 1.67 2qt6A1 TRP 483 H 0.23 0.12 -0.27 -0.55 7.97 7.50 2qt6A1 TRP 483 HA -0.11 0.09 0.63 -0.75 4.62 4.47 2qt6A1 TRP 483 HB2 -0.04 -0.01 0.14 -0.04 3.23 3.27 2qt6A1 TRP 483 HB3 -0.25 0.12 0.13 -0.04 3.23 3.19 2qt6A1 TRP 483 HD1 0.39 0.06 0.11 -0.04 7.22 7.74 2qt6A1 TRP 483 HE1 0.12 0.50 0.44 -0.04 10.20 11.21 2qt6A1 TRP 483 HE3 -0.09 0.03 -0.29 -0.04 7.59 7.20 2qt6A1 TRP 483 HZ2 0.01 -0.02 -0.16 -0.04 7.44 7.23 2qt6A1 TRP 483 HZ3 -0.03 0.01 -0.07 -0.04 7.13 7.00 2qt6A1 TRP 483 HH2 -0.01 -0.06 -0.18 -0.04 7.19 6.90 2qt6A1 SER 484 H 0.24 0.43 -0.06 -0.55 8.46 8.52 2qt6A1 SER 484 HA -0.04 0.02 0.48 -0.75 4.49 4.20 2qt6A1 SER 484 HB2 0.06 0.07 0.12 -0.04 3.95 4.16 2qt6A1 SER 484 HB3 0.06 -0.04 0.07 -0.04 3.93 3.99 2qt6A1 ASN 485 H -0.03 0.34 -0.41 -0.55 8.53 7.88 2qt6A1 ASN 485 HA -0.07 0.08 0.58 -0.75 4.76 4.60 2qt6A1 ASN 485 HB2 -0.01 0.10 0.10 -0.04 2.88 3.04 2qt6A1 ASN 485 HB3 -0.02 -0.07 0.09 -0.04 2.79 2.75 2qt6A1 ASN 485 HD21 0.01 -0.06 -0.06 -0.04 7.03 6.88 2qt6A1 ASN 485 HD22 0.02 -0.02 -0.04 -0.04 7.74 7.65 2qt6A1 LEU 486 H -0.32 0.43 -0.25 -0.55 8.37 7.68 2qt6A1 LEU 486 HA -0.18 0.02 0.42 -0.75 4.35 3.86 2qt6A1 LEU 486 HB2 -0.69 0.06 0.23 -0.04 1.64 1.20 2qt6A1 LEU 486 HB3 -0.42 0.05 -0.05 -0.04 1.64 1.18 2qt6A1 LEU 486 HG -0.50 0.19 0.20 -0.04 1.64 1.49 2qt6A1 LEU 486 HD13 -1.17 0.03 0.08 -0.04 0.93 -0.17 2qt6A1 LEU 486 HD23 -0.35 -0.01 -0.03 -0.04 0.89 0.45 2qt6A1 CYS 487 H -0.37 0.23 -0.09 -0.55 8.50 7.72 2qt6A1 CYS 487 HA -0.08 0.06 0.47 -0.75 4.58 4.27 2qt6A1 CYS 487 HB2 -0.21 0.09 0.10 -0.04 2.97 2.91 2qt6A1 CYS 487 HB3 -0.07 0.02 0.01 -0.04 2.97 2.89 2qt6A1 PRO 488 HA -0.02 0.05 0.49 -0.51 4.44 4.45 2qt6A1 PRO 488 HB2 -0.03 0.06 0.04 -0.04 2.28 2.30 2qt6A1 PRO 488 HB3 -0.02 -0.01 0.07 -0.04 2.02 2.02 2qt6A1 PRO 488 HG2 -0.05 0.05 0.09 -0.04 2.03 2.08 2qt6A1 PRO 488 HG3 -0.04 -0.00 0.06 -0.04 2.03 2.00 2qt6A1 PRO 488 HD2 -0.12 0.08 -0.25 -0.04 3.68 3.35 2qt6A1 PRO 488 HD3 -0.13 0.08 0.10 -0.04 3.65 3.66 2qt6A1 THR 489 H -0.04 0.50 -0.26 -0.55 8.28 7.93 2qt6A1 THR 489 HA -0.01 -0.01 0.37 -0.75 4.39 3.99 2qt6A1 THR 489 HB -0.02 0.17 0.20 -0.04 4.32 4.64 2qt6A1 THR 489 HG23 0.02 -0.03 -0.10 -0.04 1.22 1.07 2qt6A1 TYR 490 H 0.09 0.62 -0.02 -0.55 8.29 8.43 2qt6A1 TYR 490 HA -0.02 -0.02 0.32 -0.75 4.56 4.09 2qt6A1 TYR 490 HB2 -0.08 0.19 0.10 -0.04 3.06 3.22 2qt6A1 TYR 490 HB3 -0.05 0.00 0.18 -0.04 2.98 3.07 2qt6A1 TYR 490 HD2 0.05 0.04 -0.13 -0.04 7.15 7.07 2qt6A1 TYR 490 HE2 0.15 -0.05 -0.05 -0.04 6.85 6.86 2qt6A1 ASP 491 H 0.08 0.67 -0.11 -0.55 8.40 8.49 2qt6A1 ASP 491 HA -0.08 0.03 0.43 -0.75 4.63 4.26 2qt6A1 ASP 491 HB2 0.02 0.08 0.11 -0.04 2.71 2.87 2qt6A1 ASP 491 HB3 0.01 -0.08 0.04 -0.04 2.70 2.62 2qt6A1 ALA 492 H -0.04 0.38 -0.42 -0.55 8.40 7.77 2qt6A1 ALA 492 HA -0.05 0.04 0.66 -0.75 4.34 4.24 2qt6A1 ALA 492 HB3 -0.03 -0.02 0.09 -0.04 1.41 1.42 2qt6A1 LEU 493 H -0.16 0.43 -0.36 -0.55 8.37 7.73 2qt6A1 LEU 493 HA -0.07 -0.05 0.46 -0.75 4.35 3.94 2qt6A1 LEU 493 HB2 -0.29 0.11 -0.03 -0.04 1.64 1.39 2qt6A1 LEU 493 HB3 -0.11 -0.06 -0.11 -0.04 1.64 1.32 2qt6A1 LEU 493 HG -0.11 0.23 0.09 -0.04 1.64 1.81 2qt6A1 LEU 493 HD13 -0.09 -0.00 -0.10 -0.04 0.93 0.70 2qt6A1 LEU 493 HD23 -0.02 -0.04 -0.03 -0.04 0.89 0.76 2qt6A1 GLU 494 H -0.05 0.06 0.14 -0.55 8.60 8.20 2qt6A1 GLU 494 HA -0.05 0.17 0.59 -0.75 4.29 4.25 2qt6A1 GLU 494 HB2 -0.03 -0.01 0.12 -0.04 2.09 2.13 2qt6A1 GLU 494 HB3 -0.03 0.00 0.03 -0.04 1.99 1.94 2qt6A1 GLU 494 HG2 -0.03 -0.03 0.05 -0.04 2.34 2.29 2qt6A1 GLU 494 HG3 -0.03 0.09 0.07 -0.04 2.34 2.43 2qt6A1 PRO 495 HA -0.05 0.14 0.43 -0.51 4.44 4.44 2qt6A1 PRO 495 HB2 -0.02 -0.02 0.06 -0.04 2.28 2.25 2qt6A1 PRO 495 HB3 -0.02 0.05 0.10 -0.04 2.02 2.11 2qt6A1 PRO 495 HG2 -0.03 0.01 0.10 -0.04 2.03 2.07 2qt6A1 PRO 495 HG3 -0.04 0.12 0.10 -0.04 2.03 2.17 2qt6A1 PRO 495 HD2 -0.03 0.02 0.22 -0.04 3.68 3.84 2qt6A1 PRO 495 HD3 -0.05 0.25 0.24 -0.04 3.65 4.05 2qt6A1 SER 496 H -0.03 0.08 -0.30 -0.55 8.46 7.66 2qt6A1 SER 496 HA 0.00 0.11 0.32 -0.75 4.49 4.16 2qt6A1 SER 496 HB2 -0.10 0.00 0.10 -0.04 3.95 3.91 2qt6A1 SER 496 HB3 -0.05 -0.02 0.06 -0.04 3.93 3.87 2qt6A1 ASN 497 H -0.02 0.55 -0.62 -0.55 8.53 7.89 2qt6A1 ASN 497 HA 0.04 0.16 0.86 -0.75 4.76 5.07 2qt6A1 ASN 497 HB2 -0.03 0.08 0.04 -0.04 2.88 2.93 2qt6A1 ASN 497 HB3 0.01 -0.01 0.12 -0.04 2.79 2.86 2qt6A1 ASN 497 HD21 -0.01 -0.02 -0.02 -0.04 7.03 6.95 2qt6A1 ASN 497 HD22 -0.02 -0.06 0.05 -0.04 7.74 7.66 2qt6A1 GLU 498 H 0.01 0.42 -0.25 -0.55 8.60 8.24 2qt6A1 GLU 498 HA 0.11 0.13 0.40 -0.75 4.29 4.18 2qt6A1 GLU 498 HB2 0.06 0.19 0.14 -0.04 2.09 2.44 2qt6A1 GLU 498 HB3 0.17 -0.04 0.05 -0.04 1.99 2.13 2qt6A1 GLU 498 HG2 -0.24 0.00 -0.05 -0.04 2.34 2.01 2qt6A1 GLU 498 HG3 -0.10 0.05 -0.06 -0.04 2.34 2.19