============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. PHE 19 1.000 101.780 -34.106 20.511 -99.200 -91.000 HIS 30 0.900 106.465 -34.651 30.091 -99.200 -91.000 TYR 63 0.840 101.809 -11.665 38.506 -99.200 -91.000 PHE 71 1.000 104.923 -13.695 48.797 -99.200 -91.000 HIS 79 0.900 99.934 -9.438 48.740 -99.200 -91.000 HIS 82 0.900 107.923 -2.674 39.768 -99.200 -91.000 TYR 90 0.840 94.844 -10.074 31.239 -99.200 -91.000 TYR 98 0.840 84.937 -17.348 49.462 -99.200 -91.000 TYR 99 0.840 89.703 -10.867 51.677 -99.200 -91.000 PHE 108 1.000 94.995 -3.240 52.760 -99.200 -91.000 PHE 113 1.000 96.771 -2.049 46.631 -99.200 -91.000 PHE 117 1.000 107.479 -1.484 35.068 -99.200 -91.000 PHE 124 1.000 114.594 7.413 30.010 -99.200 -91.000 PHE 141 1.000 94.929 1.860 49.232 -99.200 -91.000 PHE 185 1.000 112.210 -13.677 32.556 -99.200 -91.000 HIS 194 0.900 103.172 -23.418 43.735 -99.200 -91.000 HIS 195 0.900 112.215 -24.125 45.589 -99.200 -91.000 TRP 204 1.040 113.232 -10.677 51.499 -99.200 -91.000 TRP6 204 1.020 113.974 -8.446 51.440 -99.200 -91.000 PHE 214 1.000 102.800 -17.016 69.933 -99.200 -91.000 TYR 219 0.840 97.114 -30.075 73.786 -99.200 -91.000 TYR 227 0.840 97.743 -21.819 48.977 -99.200 -91.000 TRP 234 1.040 87.877 -19.025 57.338 -99.200 -91.000 TRP6 234 1.020 86.698 -17.653 55.848 -99.200 -91.000 TRP 251 1.040 101.995 -20.033 57.118 -99.200 -91.000 TRP6 251 1.020 104.184 -19.658 56.361 -99.200 -91.000 PHE 265 1.000 107.475 -17.140 68.161 -99.200 -91.000 HIS 272 0.900 94.624 -29.984 52.242 -99.200 -91.000 TYR 274 0.840 105.579 -32.742 48.955 -99.200 -91.000 TYR 279 0.840 109.374 -25.790 47.222 -99.200 -91.000 HIS 283 0.900 114.201 -22.018 56.806 -99.200 -91.000 HIS 288 0.900 112.458 -21.311 62.819 -99.200 -91.000 TRP 292 1.040 107.903 -31.289 57.235 -99.200 -91.000 TRP6 292 1.020 107.047 -32.181 55.225 -99.200 -91.000 TYR 295 0.840 95.911 -31.201 56.819 -99.200 -91.000 PHE 297 1.000 91.258 -32.011 58.173 -99.200 -91.000 PHE 298 1.000 90.195 -32.029 48.787 -99.200 -91.000 PHE 314 1.000 99.707 -31.941 68.897 -99.200 -91.000 TYR 329 0.840 81.444 -32.905 62.572 -99.200 -91.000 TYR 340 0.840 73.572 -36.070 47.932 -99.200 -91.000 TYR 352 0.840 95.786 -31.614 33.090 -99.200 -91.000 HIS 360 0.900 95.586 -34.206 49.436 -99.200 -91.000 TYR 365 0.840 85.565 -36.996 42.435 -99.200 -91.000 TYR 377 0.840 99.309 -34.429 40.185 -99.200 -91.000 PHE 379 1.000 101.013 -26.515 39.108 -99.200 -91.000 HIS 381 0.900 108.498 -30.015 41.257 -99.200 -91.000 TYR 385 0.840 103.161 -36.944 37.850 -99.200 -91.000 PHE 399 1.000 96.447 -36.985 31.876 -99.200 -91.000 TYR 405 0.840 95.534 -34.016 19.057 -99.200 -91.000 PHE 410 1.000 95.547 -38.762 27.265 -99.200 -91.000 TYR 427 0.840 82.507 -22.261 30.345 -99.200 -91.000 PHE 429 1.000 87.352 -31.805 27.965 -99.200 -91.000 PHE 436 1.000 85.301 -29.187 33.397 -99.200 -91.000 HIS 440 0.900 92.233 -25.791 38.488 -99.200 -91.000 TRP 442 1.040 86.362 -25.980 46.176 -99.200 -91.000 TRP6 442 1.020 87.673 -27.803 45.440 -99.200 -91.000 TYR 444 0.840 82.190 -19.900 39.255 -99.200 -91.000 TYR 448 0.840 83.521 -29.208 46.282 -99.200 -91.000 HIS 449 0.900 90.453 -28.319 51.794 -99.200 -91.000 TYR 451 0.840 84.155 -35.223 59.682 -99.200 -91.000 PHE 454 1.000 81.637 -37.156 51.554 -99.200 -91.000 PHE 457 1.000 83.346 -34.550 46.084 -99.200 -91.000 TRP 470 1.040 75.049 -33.124 32.112 -99.200 -91.000 TRP6 470 1.020 76.683 -31.933 30.908 -99.200 -91.000 TRP 477 1.040 65.461 -32.695 14.470 -99.200 -91.000 TRP6 477 1.020 64.842 -31.065 16.079 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1h1lC1 THR 1 HA -0.01 -0.07 0.15 -0.75 4.39 3.71 1h1lC1 THR 1 HB -0.01 0.03 0.00 -0.04 4.32 4.31 1h1lC1 THR 1 HG23 -0.01 0.07 -0.26 -0.04 1.22 0.97 1h1lC1 ASN 2 H -0.01 -0.01 0.08 -0.55 8.53 8.04 1h1lC1 ASN 2 HA -0.01 0.25 0.62 -0.75 4.76 4.87 1h1lC1 ASN 2 HB2 -0.01 -0.04 0.20 -0.04 2.88 2.99 1h1lC1 ASN 2 HB3 -0.01 0.09 0.07 -0.04 2.79 2.90 1h1lC1 ASN 2 HD21 -0.01 0.41 -0.11 -0.04 7.03 7.27 1h1lC1 ASN 2 HD22 -0.01 0.03 0.04 -0.04 7.74 7.76 1h1lC1 ALA 3 H -0.01 0.20 0.17 -0.55 8.40 8.21 1h1lC1 ALA 3 HA -0.01 0.12 0.42 -0.75 4.34 4.12 1h1lC1 ALA 3 HB3 -0.01 0.03 0.02 -0.04 1.41 1.41 1h1lC1 THR 4 H -0.02 0.08 -0.14 -0.55 8.28 7.66 1h1lC1 THR 4 HA -0.02 0.15 0.76 -0.75 4.39 4.52 1h1lC1 THR 4 HB -0.02 -0.03 0.12 -0.04 4.32 4.35 1h1lC1 THR 4 HG23 -0.03 0.06 -0.12 -0.04 1.22 1.09 1h1lC1 GLY 5 H -0.02 -0.01 -0.17 -0.55 8.43 7.68 1h1lC1 GLY 5 HA2 -0.02 0.26 0.49 -0.51 4.01 4.23 1h1lC1 GLY 5 HA3 -0.02 -0.03 0.26 -0.51 4.01 3.71 1h1lC1 GLU 6 H -0.01 0.38 -0.25 -0.55 8.60 8.17 1h1lC1 GLU 6 HA -0.01 0.10 0.73 -0.75 4.29 4.35 1h1lC1 GLU 6 HB2 -0.01 0.02 0.11 -0.04 2.09 2.17 1h1lC1 GLU 6 HB3 -0.01 -0.02 -0.09 -0.04 1.99 1.83 1h1lC1 GLU 6 HG2 -0.01 -0.03 0.01 -0.04 2.34 2.27 1h1lC1 GLU 6 HG3 -0.01 0.03 -0.07 -0.04 2.34 2.24 1h1lC1 ARG 7 H -0.02 0.52 -0.08 -0.55 8.46 8.33 1h1lC1 ARG 7 HA -0.01 0.01 0.46 -0.75 4.34 4.04 1h1lC1 ASN 8 H -0.03 0.53 -0.25 -0.55 8.53 8.23 1h1lC1 ASN 8 HA -0.07 0.00 0.35 -0.75 4.76 4.29 1h1lC1 ASN 8 HB2 -0.05 0.11 0.17 -0.04 2.88 3.07 1h1lC1 ASN 8 HB3 -0.10 -0.08 0.05 -0.04 2.79 2.63 1h1lC1 ASN 8 HD21 -0.06 -0.05 0.03 -0.04 7.03 6.91 1h1lC1 ASN 8 HD22 -0.05 0.35 0.10 -0.04 7.74 8.09 1h1lC1 LEU 9 H -0.02 0.55 -0.11 -0.55 8.37 8.24 1h1lC1 LEU 9 HA -0.01 0.01 0.43 -0.75 4.35 4.03 1h1lC1 LEU 9 HB2 -0.01 0.07 0.13 -0.04 1.64 1.79 1h1lC1 LEU 9 HB3 -0.00 -0.05 0.04 -0.04 1.64 1.58 1h1lC1 LEU 9 HG -0.01 0.15 0.11 -0.04 1.64 1.84 1h1lC1 LEU 9 HD13 -0.01 -0.02 -0.00 -0.04 0.93 0.86 1h1lC1 LEU 9 HD23 -0.01 -0.02 0.01 -0.04 0.89 0.83 1h1lC1 ALA 10 H -0.01 0.55 -0.30 -0.55 8.40 8.10 1h1lC1 ALA 10 HA 0.01 0.02 0.50 -0.75 4.34 4.12 1h1lC1 ALA 10 HB3 0.00 0.01 0.10 -0.04 1.41 1.48 1h1lC1 LEU 11 H -0.01 0.63 -0.07 -0.55 8.37 8.37 1h1lC1 LEU 11 HA 0.03 0.00 0.35 -0.75 4.35 3.99 1h1lC1 LEU 11 HB2 -0.01 0.07 0.08 -0.04 1.64 1.74 1h1lC1 LEU 11 HB3 -0.04 0.12 0.19 -0.04 1.64 1.87 1h1lC1 LEU 11 HG 0.14 -0.08 -0.21 -0.04 1.64 1.46 1h1lC1 LEU 11 HD13 0.06 0.00 -0.00 -0.04 0.93 0.95 1h1lC1 LEU 11 HD23 -0.05 -0.00 -0.03 -0.04 0.89 0.77 1h1lC1 ILE 12 H 0.01 0.56 -0.21 -0.55 8.25 8.06 1h1lC1 ILE 12 HA 0.16 -0.07 0.25 -0.75 4.18 3.77 1h1lC1 ILE 12 HB 0.01 0.23 0.18 -0.04 1.89 2.28 1h1lC1 ILE 12 HG12 0.02 -0.11 -0.02 -0.04 1.49 1.34 1h1lC1 ILE 12 HG13 -0.06 0.17 0.05 -0.04 1.21 1.32 1h1lC1 ILE 12 HG23 0.04 -0.01 -0.13 -0.04 0.93 0.79 1h1lC1 ILE 12 HD13 -0.01 0.00 -0.15 -0.04 0.88 0.67 1h1lC1 GLN 13 H 0.03 0.41 -0.26 -0.55 8.47 8.11 1h1lC1 GLN 13 HA 0.03 0.03 0.46 -0.75 4.36 4.12 1h1lC1 GLU 14 H 0.05 0.52 -0.12 -0.55 8.60 8.50 1h1lC1 GLU 14 HA 0.05 0.00 0.53 -0.75 4.29 4.12 1h1lC1 VAL 15 H 0.10 0.81 0.00 -0.55 8.24 8.61 1h1lC1 VAL 15 HA 0.15 0.03 0.63 -0.75 4.13 4.19 1h1lC1 VAL 15 HB 0.15 0.10 0.05 -0.04 2.12 2.38 1h1lC1 VAL 15 HG13 -0.05 -0.03 -0.13 -0.04 0.97 0.71 1h1lC1 VAL 15 HG23 0.14 0.03 -0.05 -0.04 0.95 1.03 1h1lC1 LEU 16 H 0.07 0.56 -0.25 -0.55 8.37 8.20 1h1lC1 LEU 16 HA 0.14 0.01 0.49 -0.75 4.35 4.23 1h1lC1 LEU 16 HB2 -0.01 0.13 0.01 -0.04 1.64 1.73 1h1lC1 LEU 16 HB3 -0.14 -0.11 0.11 -0.04 1.64 1.46 1h1lC1 LEU 16 HG 0.01 0.42 0.11 -0.04 1.64 2.14 1h1lC1 LEU 16 HD13 -0.09 -0.01 -0.09 -0.04 0.93 0.70 1h1lC1 LEU 16 HD23 -0.26 -0.05 -0.14 -0.04 0.89 0.40 1h1lC1 GLU 17 H 0.10 0.28 -0.54 -0.55 8.60 7.89 1h1lC1 GLU 17 HA 0.06 0.05 0.49 -0.75 4.29 4.14 1h1lC1 GLU 17 HB2 0.07 0.15 0.11 -0.04 2.09 2.38 1h1lC1 GLU 17 HB3 0.04 -0.07 -0.01 -0.04 1.99 1.91 1h1lC1 GLU 17 HG2 0.04 -0.08 0.06 -0.04 2.34 2.31 1h1lC1 GLU 17 HG3 0.05 0.31 0.15 -0.04 2.34 2.80 1h1lC1 VAL 18 H 0.11 0.27 -0.23 -0.55 8.24 7.83 1h1lC1 VAL 18 HA -0.04 0.03 0.38 -0.75 4.13 3.75 1h1lC1 VAL 18 HB -0.06 -0.00 0.06 -0.04 2.12 2.07 1h1lC1 VAL 18 HG13 -0.25 0.03 -0.01 -0.04 0.97 0.70 1h1lC1 VAL 18 HG23 -0.55 -0.03 -0.10 -0.04 0.95 0.22 1h1lC1 PHE 19 H 0.40 0.28 -0.39 -0.55 8.34 8.07 1h1lC1 PHE 19 HA -0.12 0.04 0.56 -0.75 4.62 4.35 1h1lC1 PHE 19 HB2 -0.04 0.19 0.03 -0.04 3.15 3.29 1h1lC1 PHE 19 HB3 -0.05 -0.04 -0.17 -0.04 3.06 2.76 1h1lC1 PHE 19 HD2 -0.08 0.00 -0.04 -0.04 7.28 7.12 1h1lC1 PHE 19 HE2 -0.05 -0.01 -0.06 -0.04 7.38 7.22 1h1lC1 PHE 19 HZ -0.04 -0.14 -0.02 -0.04 7.32 7.07 1h1lC1 PRO 20 HA 0.02 0.10 0.44 -0.51 4.44 4.49 1h1lC1 PRO 20 HB2 0.03 -0.16 0.05 -0.04 2.28 2.16 1h1lC1 PRO 20 HB3 0.00 0.03 0.12 -0.04 2.02 2.14 1h1lC1 PRO 20 HG2 -0.04 0.02 0.10 -0.04 2.03 2.08 1h1lC1 PRO 20 HG3 -0.05 0.12 0.12 -0.04 2.03 2.18 1h1lC1 PRO 20 HD2 0.01 0.00 0.20 -0.04 3.68 3.85 1h1lC1 PRO 20 HD3 -0.17 0.25 0.27 -0.04 3.65 3.96 1h1lC1 GLU 21 H 0.02 0.13 0.19 -0.55 8.60 8.40 1h1lC1 GLU 21 HA 0.04 0.19 0.04 -0.75 4.29 3.81 1h1lC1 THR 22 H 0.03 0.07 -0.07 -0.55 8.28 7.77 1h1lC1 THR 22 HA 0.02 0.09 0.28 -0.75 4.39 4.03 1h1lC1 THR 22 HB 0.03 -0.02 0.04 -0.04 4.32 4.33 1h1lC1 THR 22 HG23 0.02 0.01 -0.05 -0.04 1.22 1.16 1h1lC1 ALA 23 H 0.07 0.15 -0.15 -0.55 8.40 7.92 1h1lC1 ALA 23 HA 0.05 0.04 0.55 -0.75 4.34 4.22 1h1lC1 ALA 23 HB3 0.20 0.02 0.09 -0.04 1.41 1.68 1h1lC1 ARG 24 H 0.06 0.50 -0.29 -0.55 8.46 8.17 1h1lC1 ARG 24 HA -0.22 -0.00 0.15 -0.75 4.34 3.51 1h1lC1 LYS 25 H -0.00 0.43 -0.19 -0.55 8.42 8.10 1h1lC1 LYS 25 HA -0.01 0.08 0.47 -0.75 4.32 4.11 1h1lC1 GLU 26 H 0.01 0.40 -0.11 -0.55 8.60 8.36 1h1lC1 GLU 26 HA 0.05 0.04 0.62 -0.75 4.29 4.24 1h1lC1 GLU 26 HB2 0.03 0.06 0.16 -0.04 2.09 2.30 1h1lC1 GLU 26 HB3 0.02 0.05 0.15 -0.04 1.99 2.17 1h1lC1 GLU 26 HG2 0.07 -0.03 0.03 -0.04 2.34 2.38 1h1lC1 GLU 26 HG3 0.05 -0.04 -0.00 -0.04 2.34 2.30 1h1lC1 ARG 27 H -0.09 0.68 -0.06 -0.55 8.46 8.44 1h1lC1 ARG 27 HA 0.03 0.00 0.31 -0.75 4.34 3.93 1h1lC1 ARG 27 HB2 -0.44 0.12 0.12 -0.04 1.90 1.66 1h1lC1 ARG 27 HB3 -0.28 -0.05 0.04 -0.04 1.80 1.47 1h1lC1 ARG 27 HG2 -0.19 0.09 0.07 -0.04 1.67 1.61 1h1lC1 ARG 27 HG3 -0.61 -0.07 -0.00 -0.04 1.67 0.95 1h1lC1 ARG 27 HD2 -0.23 0.01 -0.04 -0.04 3.22 2.92 1h1lC1 ARG 27 HD3 -0.09 -0.10 0.03 -0.04 3.22 3.02 1h1lC1 ARG 28 H -0.05 0.60 -0.10 -0.55 8.46 8.35 1h1lC1 ARG 28 HA -0.00 0.00 0.44 -0.75 4.34 4.02 1h1lC1 ARG 28 HB2 -0.02 0.05 0.15 -0.04 1.90 2.04 1h1lC1 ARG 28 HB3 -0.01 0.13 0.12 -0.04 1.80 2.00 1h1lC1 ARG 28 HG2 -0.00 -0.05 0.01 -0.04 1.67 1.58 1h1lC1 ARG 28 HG3 -0.00 0.03 -0.05 -0.04 1.67 1.61 1h1lC1 ARG 28 HD2 0.00 -0.01 0.08 -0.04 3.22 3.25 1h1lC1 ARG 28 HD3 -0.00 -0.02 0.00 -0.04 3.22 3.16 1h1lC1 LYS 29 H 0.05 0.39 -0.43 -0.55 8.42 7.87 1h1lC1 LYS 29 HA -0.03 0.17 0.37 -0.75 4.32 4.07 1h1lC1 LYS 29 HB2 -0.04 0.07 0.06 -0.04 1.87 1.91 1h1lC1 LYS 29 HB3 -0.09 -0.09 0.07 -0.04 1.79 1.63 1h1lC1 HIS 30 H 0.16 0.71 -0.33 -0.55 8.41 8.40 1h1lC1 HIS 30 HA -0.02 0.14 0.89 -0.75 4.63 4.89 1h1lC1 HIS 30 HB2 0.03 0.15 0.16 -0.04 3.26 3.56 1h1lC1 HIS 30 HB3 0.10 -0.02 0.25 -0.04 3.20 3.49 1h1lC1 HIS 30 HD2 -0.00 0.31 -0.11 -0.04 6.97 7.13 1h1lC1 HIS 30 HE1 0.06 -0.23 -0.21 -0.04 7.75 7.32 1h1lC1 MET 31 H 0.05 0.47 -0.13 -0.55 8.47 8.31 1h1lC1 MET 31 HA 0.13 0.18 1.02 -0.75 4.52 5.10 1h1lC1 MET 31 HB2 0.10 -0.00 0.08 -0.04 2.15 2.29 1h1lC1 MET 31 HB3 0.22 -0.10 0.01 -0.04 2.03 2.11 1h1lC1 MET 31 HG2 0.07 0.16 0.08 -0.04 2.63 2.90 1h1lC1 MET 31 HG3 0.06 -0.01 -0.04 -0.04 2.56 2.53 1h1lC1 MET 31 HE3 0.08 -0.06 -0.17 -0.04 2.10 1.90 1h1lC1 MET 32 H 0.06 0.59 0.38 -0.55 8.47 8.95 1h1lC1 MET 32 HA 0.00 0.14 0.63 -0.75 4.52 4.53 1h1lC1 MET 32 HB2 -0.01 -0.04 0.14 -0.04 2.15 2.20 1h1lC1 MET 32 HB3 -0.03 0.27 -0.14 -0.04 2.03 2.09 1h1lC1 MET 32 HG2 -0.00 0.03 -0.09 -0.04 2.63 2.52 1h1lC1 MET 32 HG3 0.01 0.00 -0.48 -0.04 2.56 2.05 1h1lC1 MET 32 HE3 0.01 -0.01 -0.11 -0.04 2.10 1.95 1h1lC1 VAL 33 H -0.00 0.19 0.19 -0.55 8.24 8.06 1h1lC1 VAL 33 HA -0.01 0.35 0.86 -0.75 4.13 4.58 1h1lC1 VAL 33 HB -0.02 -0.01 -0.02 -0.04 2.12 2.03 1h1lC1 VAL 33 HG13 -0.03 0.03 -0.14 -0.04 0.97 0.79 1h1lC1 VAL 33 HG23 -0.01 -0.00 0.02 -0.04 0.95 0.92 1h1lC1 SER 34 H -0.00 0.34 0.02 -0.55 8.46 8.27 1h1lC1 SER 34 HA 0.01 0.12 0.59 -0.75 4.49 4.46 1h1lC1 SER 34 HB2 0.01 0.05 -0.21 -0.04 3.95 3.76 1h1lC1 SER 34 HB3 0.02 0.03 -0.10 -0.04 3.93 3.84 1h1lC1 ASP 35 H 0.00 0.29 0.07 -0.55 8.40 8.22 1h1lC1 ASP 35 HA -0.00 0.11 0.79 -0.75 4.63 4.77 1h1lC1 ASP 35 HB2 -0.00 0.10 -0.14 -0.04 2.71 2.63 1h1lC1 ASP 35 HB3 -0.00 0.01 0.09 -0.04 2.70 2.76 1h1lC1 PRO 36 HA -0.00 0.26 0.44 -0.51 4.44 4.62 1h1lC1 PRO 36 HB2 -0.01 0.04 0.05 -0.04 2.28 2.32 1h1lC1 PRO 36 HB3 -0.01 0.13 0.13 -0.04 2.02 2.24 1h1lC1 PRO 36 HG2 -0.01 -0.02 0.11 -0.04 2.03 2.07 1h1lC1 PRO 36 HG3 -0.01 0.02 0.12 -0.04 2.03 2.12 1h1lC1 PRO 36 HD2 -0.01 0.06 0.29 -0.04 3.68 3.99 1h1lC1 PRO 36 HD3 -0.01 0.12 0.15 -0.04 3.65 3.87 1h1lC1 LYS 37 H -0.00 0.02 -0.24 -0.55 8.42 7.64 1h1lC1 LYS 37 HA -0.01 0.09 0.39 -0.75 4.32 4.04 1h1lC1 MET 38 H -0.00 0.14 -0.33 -0.55 8.47 7.73 1h1lC1 MET 38 HA -0.00 -0.04 0.63 -0.75 4.52 4.35 1h1lC1 MET 38 HB2 0.00 -0.07 0.08 -0.04 2.15 2.12 1h1lC1 MET 38 HB3 0.00 0.14 0.04 -0.04 2.03 2.17 1h1lC1 MET 38 HG2 0.01 -0.13 -0.39 -0.04 2.63 2.07 1h1lC1 MET 38 HG3 0.00 -0.04 0.02 -0.04 2.56 2.50 1h1lC1 MET 38 HE3 -0.00 -0.01 0.00 -0.04 2.10 2.05 1h1lC1 LYS 39 H -0.00 0.04 0.21 -0.55 8.42 8.11 1h1lC1 LYS 39 HA -0.01 0.29 0.72 -0.75 4.32 4.56 1h1lC1 SER 40 H 0.00 0.10 0.11 -0.55 8.46 8.13 1h1lC1 SER 40 HA 0.01 0.19 0.86 -0.75 4.49 4.80 1h1lC1 SER 40 HB2 0.00 0.00 -0.01 -0.04 3.95 3.91 1h1lC1 SER 40 HB3 0.01 -0.12 -0.28 -0.04 3.93 3.49 1h1lC1 VAL 41 H 0.03 0.13 0.06 -0.55 8.24 7.91 1h1lC1 VAL 41 HA 0.01 0.13 -0.23 -0.75 4.13 3.29 1h1lC1 VAL 41 HB -0.01 0.02 -0.14 -0.04 2.12 1.94 1h1lC1 VAL 41 HG13 0.07 0.01 -0.22 -0.04 0.97 0.79 1h1lC1 VAL 41 HG23 0.03 0.01 -0.05 -0.04 0.95 0.90 1h1lC1 GLY 42 H 0.01 -0.00 -0.16 -0.55 8.43 7.73 1h1lC1 GLY 42 HA2 0.00 0.02 0.24 -0.51 4.01 3.76 1h1lC1 GLY 42 HA3 -0.00 0.05 0.37 -0.51 4.01 3.92 1h1lC1 LYS 43 H -0.01 0.16 0.24 -0.55 8.42 8.25 1h1lC1 LYS 43 HA -0.02 0.17 0.88 -0.75 4.32 4.59 1h1lC1 CYS 44 H -0.02 0.44 0.03 -0.55 8.50 8.40 1h1lC1 CYS 44 HA -0.03 0.08 0.56 -0.75 4.58 4.43 1h1lC1 CYS 44 HB2 -0.02 0.00 -0.04 -0.04 2.97 2.87 1h1lC1 CYS 44 HB3 -0.02 -0.02 0.03 -0.04 2.97 2.92 1h1lC1 ILE 45 H -0.07 0.14 -0.36 -0.55 8.25 7.40 1h1lC1 ILE 45 HA -0.13 0.36 0.19 -0.75 4.18 3.84 1h1lC1 ILE 45 HB -0.14 0.06 -0.20 -0.04 1.89 1.56 1h1lC1 ILE 45 HG12 -0.31 0.20 0.03 -0.04 1.49 1.37 1h1lC1 ILE 45 HG13 -0.16 0.05 -0.33 -0.04 1.21 0.73 1h1lC1 ILE 45 HG23 -0.24 -0.07 -0.22 -0.04 0.93 0.35 1h1lC1 ILE 45 HD13 -0.81 -0.06 -0.28 -0.04 0.88 -0.32 1h1lC1 ILE 46 H -0.30 0.82 0.26 -0.55 8.25 8.48 1h1lC1 ILE 46 HA -0.14 0.10 0.42 -0.75 4.18 3.80 1h1lC1 ILE 46 HB -0.13 -0.10 0.13 -0.04 1.89 1.75 1h1lC1 ILE 46 HG12 -0.36 0.15 -0.10 -0.04 1.49 1.14 1h1lC1 ILE 46 HG13 -0.76 -0.07 -0.27 -0.04 1.21 0.06 1h1lC1 ILE 46 HG23 -0.09 0.03 -0.09 -0.04 0.93 0.73 1h1lC1 ILE 46 HD13 -0.05 -0.01 -0.05 -0.04 0.88 0.73 1h1lC1 SER 47 H -0.07 0.27 0.10 -0.55 8.46 8.22 1h1lC1 SER 47 HA 0.12 0.12 0.37 -0.75 4.49 4.34 1h1lC1 SER 47 HB2 0.29 0.04 0.01 -0.04 3.95 4.25 1h1lC1 SER 47 HB3 -0.03 0.18 -0.49 -0.04 3.93 3.55 1h1lC1 ASN 48 H 0.17 0.22 0.10 -0.55 8.53 8.47 1h1lC1 ASN 48 HA 0.08 -0.01 0.28 -0.75 4.76 4.35 1h1lC1 ASN 48 HB2 -0.28 -0.07 -0.13 -0.04 2.88 2.36 1h1lC1 ASN 48 HB3 -0.16 0.19 0.08 -0.04 2.79 2.86 1h1lC1 ASN 48 HD21 -0.25 -0.05 0.02 -0.04 7.03 6.72 1h1lC1 ASN 48 HD22 -0.39 0.04 0.05 -0.04 7.74 7.40 1h1lC1 ARG 49 H 0.17 0.08 -0.25 -0.55 8.46 7.91 1h1lC1 ARG 49 HA 0.06 0.15 0.82 -0.75 4.34 4.62 1h1lC1 LYS 50 H 0.06 0.10 0.10 -0.55 8.42 8.13 1h1lC1 LYS 50 HA 0.05 -0.02 0.38 -0.75 4.32 3.97 1h1lC1 LYS 50 HB2 0.04 0.02 -0.10 -0.04 1.87 1.79 1h1lC1 LYS 50 HB3 0.04 0.07 0.01 -0.04 1.79 1.87 1h1lC1 LYS 50 HG2 0.04 0.02 0.07 -0.04 1.46 1.55 1h1lC1 LYS 50 HG3 0.04 -0.07 0.12 -0.04 1.46 1.51 1h1lC1 LYS 50 HD2 0.03 0.00 0.01 -0.04 1.69 1.70 1h1lC1 LYS 50 HD3 0.03 0.03 0.01 -0.04 1.68 1.72 1h1lC1 LYS 50 HE2 0.03 0.00 0.03 -0.04 2.99 3.01 1h1lC1 LYS 50 HE3 0.03 -0.01 0.03 -0.04 2.99 3.00 1h1lC1 SER 51 H 0.05 0.06 0.21 -0.55 8.46 8.24 1h1lC1 SER 51 HA 0.02 0.13 0.36 -0.75 4.49 4.25 1h1lC1 SER 51 HB2 0.05 -0.04 0.00 -0.04 3.95 3.92 1h1lC1 SER 51 HB3 0.05 0.00 0.07 -0.04 3.93 4.02 1h1lC1 GLN 52 H 0.02 0.12 0.16 -0.55 8.47 8.22 1h1lC1 GLN 52 HA 0.03 0.14 0.59 -0.75 4.36 4.36 1h1lC1 GLN 52 HB2 0.07 -0.10 0.16 -0.04 2.15 2.24 1h1lC1 GLN 52 HB3 0.08 0.09 0.03 -0.04 2.02 2.17 1h1lC1 GLN 52 HG2 -0.01 0.03 0.08 -0.04 2.40 2.45 1h1lC1 GLN 52 HG3 0.05 0.03 0.06 -0.04 2.39 2.49 1h1lC1 GLN 52 HE21 0.04 -0.02 -0.00 -0.04 6.97 6.94 1h1lC1 GLN 52 HE22 0.02 0.03 -0.00 -0.04 7.69 7.69 1h1lC1 PRO 53 HA 0.02 -0.01 0.48 -0.51 4.44 4.41 1h1lC1 PRO 53 HB2 0.01 0.03 0.03 -0.04 2.28 2.30 1h1lC1 PRO 53 HB3 0.01 0.02 0.08 -0.04 2.02 2.08 1h1lC1 PRO 53 HG2 0.01 0.04 0.10 -0.04 2.03 2.14 1h1lC1 PRO 53 HG3 0.02 0.06 0.11 -0.04 2.03 2.18 1h1lC1 PRO 53 HD2 0.03 0.08 0.22 -0.04 3.68 3.97 1h1lC1 PRO 53 HD3 0.03 0.25 0.29 -0.04 3.65 4.18 1h1lC1 GLY 54 H 0.01 0.09 0.18 -0.55 8.43 8.16 1h1lC1 GLY 54 HA2 -0.01 -0.01 0.28 -0.51 4.01 3.76 1h1lC1 GLY 54 HA3 -0.02 0.16 0.23 -0.51 4.01 3.87 1h1lC1 VAL 55 H 0.02 0.18 -0.20 -0.55 8.24 7.68 1h1lC1 VAL 55 HA -0.04 0.27 0.29 -0.75 4.13 3.89 1h1lC1 VAL 55 HB 0.06 -0.06 0.09 -0.04 2.12 2.16 1h1lC1 VAL 55 HG13 0.05 0.06 -0.18 -0.04 0.97 0.86 1h1lC1 VAL 55 HG23 0.07 0.04 -0.12 -0.04 0.95 0.90 1h1lC1 MET 56 H 0.02 0.04 -0.10 -0.55 8.47 7.88 1h1lC1 MET 56 HA 0.03 0.06 0.37 -0.75 4.52 4.23 1h1lC1 MET 56 HB2 0.01 0.06 -0.24 -0.04 2.15 1.94 1h1lC1 MET 56 HB3 0.03 -0.18 0.42 -0.04 2.03 2.26 1h1lC1 MET 56 HG2 0.02 0.05 0.05 -0.04 2.63 2.71 1h1lC1 MET 56 HG3 0.01 0.01 0.05 -0.04 2.56 2.58 1h1lC1 MET 56 HE3 -0.01 0.01 -0.01 -0.04 2.10 2.06 1h1lC1 THR 57 H 0.06 0.01 0.03 -0.55 8.28 7.82 1h1lC1 THR 57 HA 0.11 0.27 0.69 -0.75 4.39 4.71 1h1lC1 THR 57 HB 0.09 0.10 0.07 -0.04 4.32 4.54 1h1lC1 THR 57 HG23 0.07 0.01 0.00 -0.04 1.22 1.27 1h1lC1 VAL 58 H 0.21 0.21 0.16 -0.55 8.24 8.27 1h1lC1 VAL 58 HA 0.13 0.16 0.57 -0.75 4.13 4.24 1h1lC1 VAL 58 HB 0.37 -0.03 0.07 -0.04 2.12 2.48 1h1lC1 VAL 58 HG13 0.23 -0.04 -0.02 -0.04 0.97 1.09 1h1lC1 VAL 58 HG23 0.26 0.05 -0.09 -0.04 0.95 1.13 1h1lC1 ARG 59 H 0.17 0.03 -0.11 -0.55 8.46 7.99 1h1lC1 ARG 59 HA 0.20 -0.13 0.19 -0.75 4.34 3.85 1h1lC1 ARG 59 HB2 0.12 0.04 0.08 -0.04 1.90 2.10 1h1lC1 ARG 59 HB3 0.11 0.10 0.08 -0.04 1.80 2.06 1h1lC1 ARG 59 HG2 0.28 -0.17 0.01 -0.04 1.67 1.76 1h1lC1 ARG 59 HG3 0.23 -0.08 0.12 -0.04 1.67 1.89 1h1lC1 ARG 59 HD2 0.14 -0.02 0.11 -0.04 3.22 3.41 1h1lC1 ARG 59 HD3 0.12 0.21 0.16 -0.04 3.22 3.67 1h1lC1 GLY 60 H 0.08 -0.11 0.13 -0.55 8.43 7.99 1h1lC1 GLY 60 HA2 0.04 0.30 0.79 -0.51 4.01 4.64 1h1lC1 GLY 60 HA3 0.03 -0.05 0.37 -0.51 4.01 3.86 1h1lC1 CYS 61 H 0.02 0.06 0.12 -0.55 8.50 8.15 1h1lC1 CYS 61 HA -0.02 0.37 0.72 -0.75 4.58 4.89 1h1lC1 CYS 61 HB2 0.00 0.12 0.26 -0.04 2.97 3.31 1h1lC1 CYS 61 HB3 0.02 0.15 -0.03 -0.04 2.97 3.07 1h1lC1 ALA 62 H -0.05 0.45 0.14 -0.55 8.40 8.40 1h1lC1 ALA 62 HA -0.12 -0.05 0.37 -0.75 4.34 3.79 1h1lC1 ALA 62 HB3 -0.09 0.12 -0.13 -0.04 1.41 1.26 1h1lC1 TYR 63 H 0.07 0.04 -0.12 -0.55 8.29 7.73 1h1lC1 TYR 63 HA -0.06 0.12 0.69 -0.75 4.56 4.56 1h1lC1 TYR 63 HB2 -0.08 0.22 0.12 -0.04 3.06 3.28 1h1lC1 TYR 63 HB3 -0.05 -0.11 0.10 -0.04 2.98 2.87 1h1lC1 TYR 63 HD2 -0.04 0.04 -0.28 -0.04 7.15 6.83 1h1lC1 TYR 63 HE2 -0.02 0.13 -0.16 -0.04 6.85 6.76 1h1lC1 ALA 64 H 0.07 0.14 -0.29 -0.55 8.40 7.77 1h1lC1 ALA 64 HA -0.09 0.12 0.42 -0.75 4.34 4.03 1h1lC1 ALA 64 HB3 0.01 0.04 0.05 -0.04 1.41 1.47 1h1lC1 GLY 65 H -0.12 0.35 -0.09 -0.55 8.43 8.02 1h1lC1 GLY 65 HA2 -0.09 0.01 0.57 -0.51 4.01 3.99 1h1lC1 GLY 65 HA3 -0.23 0.18 0.30 -0.51 4.01 3.75 1h1lC1 SER 66 H -0.10 0.52 -0.14 -0.55 8.46 8.20 1h1lC1 SER 66 HA 0.02 0.17 0.84 -0.75 4.49 4.77 1h1lC1 SER 66 HB2 0.01 0.05 0.16 -0.04 3.95 4.13 1h1lC1 SER 66 HB3 -0.06 -0.01 0.23 -0.04 3.93 4.05 1h1lC1 LYS 67 H -0.34 0.61 0.16 -0.55 8.42 8.30 1h1lC1 LYS 67 HA -0.15 0.06 0.30 -0.75 4.32 3.78 1h1lC1 LYS 67 HB2 -0.56 -0.07 0.06 -0.04 1.87 1.27 1h1lC1 LYS 67 HB3 -1.10 0.04 0.14 -0.04 1.79 0.83 1h1lC1 LYS 67 HG2 -0.18 0.03 -0.06 -0.04 1.46 1.20 1h1lC1 LYS 67 HG3 -0.18 -0.02 -0.11 -0.04 1.46 1.11 1h1lC1 LYS 67 HD2 -0.25 -0.08 -0.14 -0.04 1.69 1.18 1h1lC1 LYS 67 HD3 -0.20 0.03 -0.44 -0.04 1.68 1.04 1h1lC1 LYS 67 HE2 -0.00 0.07 -0.07 -0.04 2.99 2.95 1h1lC1 LYS 67 HE3 0.08 -0.05 -0.09 -0.04 2.99 2.89 1h1lC1 GLY 68 H -0.30 0.11 0.08 -0.55 8.43 7.77 1h1lC1 GLY 68 HA2 -0.12 0.12 0.23 -0.51 4.01 3.73 1h1lC1 GLY 68 HA3 -0.12 -0.02 0.34 -0.51 4.01 3.70 1h1lC1 VAL 69 H -0.13 0.14 -0.31 -0.55 8.24 7.39 1h1lC1 VAL 69 HA -0.28 0.15 0.84 -0.75 4.13 4.09 1h1lC1 VAL 69 HB -0.06 0.20 0.16 -0.04 2.12 2.38 1h1lC1 VAL 69 HG13 -0.57 -0.03 -0.17 -0.04 0.97 0.15 1h1lC1 VAL 69 HG23 -0.08 -0.01 -0.08 -0.04 0.95 0.74 1h1lC1 VAL 70 H -0.13 0.19 -0.18 -0.55 8.24 7.57 1h1lC1 VAL 70 HA -0.06 0.02 0.45 -0.75 4.13 3.78 1h1lC1 VAL 70 HB -0.24 0.05 0.16 -0.04 2.12 2.05 1h1lC1 VAL 70 HG13 -0.47 -0.01 -0.20 -0.04 0.97 0.25 1h1lC1 VAL 70 HG23 -0.06 0.00 0.01 -0.04 0.95 0.86 1h1lC1 PHE 71 H -0.04 0.58 0.11 -0.55 8.34 8.44 1h1lC1 PHE 71 HA -0.17 0.12 0.68 -0.75 4.62 4.49 1h1lC1 PHE 71 HB2 -0.26 -0.01 0.05 -0.04 3.15 2.89 1h1lC1 PHE 71 HB3 -0.35 0.02 -0.07 -0.04 3.06 2.62 1h1lC1 PHE 71 HD2 -0.08 0.03 -0.10 -0.04 7.28 7.09 1h1lC1 PHE 71 HE2 -0.06 -0.03 -0.08 -0.04 7.38 7.17 1h1lC1 PHE 71 HZ -0.04 0.05 -0.06 -0.04 7.32 7.22 1h1lC1 GLY 72 H -0.18 0.42 -0.02 -0.55 8.43 8.10 1h1lC1 GLY 72 HA2 -0.35 -0.05 0.25 -0.51 4.01 3.35 1h1lC1 GLY 72 HA3 -0.15 0.11 0.26 -0.51 4.01 3.72 1h1lC1 PRO 73 HA 0.01 0.08 0.40 -0.51 4.44 4.43 1h1lC1 PRO 73 HB2 0.06 0.03 -0.25 -0.04 2.28 2.08 1h1lC1 PRO 73 HB3 0.07 -0.07 -0.02 -0.04 2.02 1.96 1h1lC1 PRO 73 HG2 0.10 0.04 -0.04 -0.04 2.03 2.08 1h1lC1 PRO 73 HG3 0.00 -0.02 -0.04 -0.04 2.03 1.94 1h1lC1 PRO 73 HD2 -0.07 0.18 -0.84 -0.04 3.68 2.90 1h1lC1 PRO 73 HD3 -0.10 0.08 -0.39 -0.04 3.65 3.19 1h1lC1 ILE 74 H -0.01 0.51 -0.30 -0.55 8.25 7.89 1h1lC1 ILE 74 HA 0.01 0.05 0.36 -0.75 4.18 3.84 1h1lC1 ILE 74 HB 0.22 0.14 0.09 -0.04 1.89 2.29 1h1lC1 ILE 74 HG12 -0.13 -0.09 -0.09 -0.04 1.49 1.14 1h1lC1 ILE 74 HG13 -0.06 0.02 0.03 -0.04 1.21 1.15 1h1lC1 ILE 74 HG23 0.04 -0.07 -0.25 -0.04 0.93 0.60 1h1lC1 ILE 74 HD13 -0.09 -0.03 -0.02 -0.04 0.88 0.70 1h1lC1 LYS 75 H -0.01 0.46 0.40 -0.55 8.42 8.72 1h1lC1 LYS 75 HA -0.15 0.00 0.46 -0.75 4.32 3.88 1h1lC1 LYS 75 HB2 -0.36 -0.16 0.16 -0.04 1.87 1.47 1h1lC1 LYS 75 HB3 -0.19 0.08 0.23 -0.04 1.79 1.87 1h1lC1 LYS 75 HG2 0.03 0.20 0.21 -0.04 1.46 1.85 1h1lC1 LYS 75 HG3 0.01 0.01 -0.02 -0.04 1.46 1.41 1h1lC1 LYS 75 HD2 0.18 0.07 0.11 -0.04 1.69 2.01 1h1lC1 LYS 75 HD3 0.16 -0.06 0.02 -0.04 1.68 1.76 1h1lC1 LYS 75 HE2 0.12 0.05 -0.03 -0.04 2.99 3.08 1h1lC1 LYS 75 HE3 0.09 -0.04 0.04 -0.04 2.99 3.04 1h1lC1 ASP 76 H 0.05 0.04 -0.04 -0.55 8.40 7.90 1h1lC1 ASP 76 HA 0.17 0.36 0.65 -0.75 4.63 5.05 1h1lC1 ASP 76 HB2 0.10 0.11 0.28 -0.04 2.71 3.16 1h1lC1 ASP 76 HB3 0.07 0.06 0.17 -0.04 2.70 2.95 1h1lC1 MET 77 H 0.07 0.33 -0.39 -0.55 8.47 7.92 1h1lC1 MET 77 HA -0.15 0.21 0.95 -0.75 4.52 4.78 1h1lC1 MET 77 HB2 -0.10 0.09 -0.16 -0.04 2.15 1.93 1h1lC1 MET 77 HB3 -0.33 0.01 -0.42 -0.04 2.03 1.25 1h1lC1 MET 77 HG2 -0.06 0.07 -0.20 -0.04 2.63 2.40 1h1lC1 MET 77 HG3 0.00 -0.23 -0.30 -0.04 2.56 2.00 1h1lC1 MET 77 HE3 -0.03 0.02 -0.27 -0.04 2.10 1.78 1h1lC1 ALA 78 H -0.47 0.49 0.29 -0.55 8.40 8.16 1h1lC1 ALA 78 HA -0.31 0.16 0.57 -0.75 4.34 4.01 1h1lC1 ALA 78 HB3 -1.10 0.01 0.01 -0.04 1.41 0.29 1h1lC1 HIS 79 H 0.00 0.27 0.13 -0.55 8.41 8.27 1h1lC1 HIS 79 HA -0.14 0.09 0.87 -0.75 4.63 4.70 1h1lC1 HIS 79 HB2 0.03 0.04 0.06 -0.04 3.26 3.35 1h1lC1 HIS 79 HB3 -0.06 -0.12 -0.10 -0.04 3.20 2.88 1h1lC1 HIS 79 HD2 0.05 0.07 -0.04 -0.04 6.97 7.00 1h1lC1 HIS 79 HE1 0.07 -0.10 -0.19 -0.04 7.75 7.48 1h1lC1 ILE 80 H -0.07 0.73 0.27 -0.55 8.25 8.64 1h1lC1 ILE 80 HA 0.07 0.21 0.70 -0.75 4.18 4.41 1h1lC1 ILE 80 HB -0.08 -0.12 0.19 -0.04 1.89 1.84 1h1lC1 ILE 80 HG12 -0.16 0.02 -0.20 -0.04 1.49 1.11 1h1lC1 ILE 80 HG13 -0.22 0.09 -0.14 -0.04 1.21 0.90 1h1lC1 ILE 80 HG23 0.02 -0.04 -0.38 -0.04 0.93 0.49 1h1lC1 ILE 80 HD13 -0.17 -0.01 -0.15 -0.04 0.88 0.50 1h1lC1 SER 81 H 0.11 0.83 0.27 -0.55 8.46 9.13 1h1lC1 SER 81 HA 0.17 0.13 0.78 -0.75 4.49 4.81 1h1lC1 SER 81 HB2 0.07 0.07 0.19 -0.04 3.95 4.23 1h1lC1 SER 81 HB3 0.05 -0.12 -0.09 -0.04 3.93 3.73 1h1lC1 HIS 82 H 0.10 0.70 0.10 -0.55 8.41 8.76 1h1lC1 HIS 82 HA -0.07 -0.05 0.52 -0.75 4.63 4.26 1h1lC1 HIS 82 HB2 -0.03 0.07 -0.11 -0.04 3.26 3.14 1h1lC1 HIS 82 HB3 -0.07 -0.02 -0.01 -0.04 3.20 3.06 1h1lC1 HIS 82 HD2 0.01 -0.05 -0.09 -0.04 6.97 6.80 1h1lC1 HIS 82 HE1 0.32 0.10 -0.02 -0.04 7.75 8.11 1h1lC1 GLY 83 H -0.38 0.23 0.28 -0.55 8.43 8.01 1h1lC1 GLY 83 HA2 -2.24 0.02 0.16 -0.51 4.01 1.44 1h1lC1 GLY 83 HA3 -0.68 0.08 0.76 -0.51 4.01 3.66 1h1lC1 PRO 84 HA 0.01 0.19 0.50 -0.51 4.44 4.62 1h1lC1 PRO 84 HB2 -0.06 -0.09 0.05 -0.04 2.28 2.13 1h1lC1 PRO 84 HB3 -0.00 0.20 0.12 -0.04 2.02 2.30 1h1lC1 PRO 84 HG2 -0.07 0.05 0.07 -0.04 2.03 2.03 1h1lC1 PRO 84 HG3 -0.01 0.12 0.03 -0.04 2.03 2.13 1h1lC1 PRO 84 HD2 -0.26 0.04 0.17 -0.04 3.68 3.59 1h1lC1 PRO 84 HD3 -0.42 0.10 0.18 -0.04 3.65 3.47 1h1lC1 VAL 85 H -0.03 0.26 0.12 -0.55 8.24 8.04 1h1lC1 VAL 85 HA -0.07 0.09 0.35 -0.75 4.13 3.74 1h1lC1 VAL 85 HB -0.02 0.04 0.12 -0.04 2.12 2.22 1h1lC1 VAL 85 HG13 -0.06 0.01 -0.09 -0.04 0.97 0.79 1h1lC1 VAL 85 HG23 -0.06 0.02 0.02 -0.04 0.95 0.88 1h1lC1 GLY 86 H -0.11 0.07 -0.29 -0.55 8.43 7.55 1h1lC1 GLY 86 HA2 -0.46 0.13 0.25 -0.51 4.01 3.43 1h1lC1 GLY 86 HA3 -0.12 0.05 0.25 -0.51 4.01 3.68 1h1lC1 CYS 87 H -0.18 0.12 -0.10 -0.55 8.50 7.79 1h1lC1 CYS 87 HA 0.01 0.06 0.23 -0.75 4.58 4.13 1h1lC1 CYS 87 HB2 -0.64 0.08 -0.10 -0.04 2.97 2.28 1h1lC1 CYS 87 HB3 -0.66 -0.03 -0.01 -0.04 2.97 2.23 1h1lC1 GLY 88 H -0.12 0.16 -0.35 -0.55 8.43 7.57 1h1lC1 GLY 88 HA2 0.14 0.07 0.24 -0.51 4.01 3.95 1h1lC1 GLY 88 HA3 0.02 0.09 0.14 -0.51 4.01 3.76 1h1lC1 GLN 89 H -0.21 0.25 -0.25 -0.55 8.47 7.71 1h1lC1 GLN 89 HA -0.09 0.11 0.63 -0.75 4.36 4.26 1h1lC1 GLN 89 HB2 -0.20 0.03 0.12 -0.04 2.15 2.06 1h1lC1 GLN 89 HB3 -0.54 0.04 0.19 -0.04 2.02 1.66 1h1lC1 GLN 89 HG2 -0.16 -0.04 -0.02 -0.04 2.40 2.14 1h1lC1 GLN 89 HG3 -0.11 0.02 -0.12 -0.04 2.39 2.14 1h1lC1 GLN 89 HE21 -0.03 0.02 0.01 -0.04 6.97 6.93 1h1lC1 GLN 89 HE22 -0.03 -0.02 -0.01 -0.04 7.69 7.59 1h1lC1 TYR 90 H -0.49 0.52 -0.02 -0.55 8.29 7.75 1h1lC1 TYR 90 HA 0.02 0.09 0.28 -0.75 4.56 4.20 1h1lC1 TYR 90 HB2 0.03 -0.04 -0.13 -0.04 3.06 2.87 1h1lC1 TYR 90 HB3 0.02 -0.02 0.03 -0.04 2.98 2.97 1h1lC1 TYR 90 HD2 -0.00 -0.02 -0.12 -0.04 7.15 6.97 1h1lC1 TYR 90 HE2 -0.01 -0.04 -0.07 -0.04 6.85 6.68 1h1lC1 SER 91 H 0.09 0.22 -0.61 -0.55 8.46 7.61 1h1lC1 SER 91 HA 0.10 0.11 0.88 -0.75 4.49 4.83 1h1lC1 SER 91 HB2 0.07 -0.08 0.13 -0.04 3.95 4.02 1h1lC1 SER 91 HB3 0.16 -0.11 0.04 -0.04 3.93 3.98 1h1lC1 ARG 92 H 0.05 0.38 -0.38 -0.55 8.46 7.95 1h1lC1 ARG 92 HA 0.03 0.07 0.63 -0.75 4.34 4.32 1h1lC1 ARG 92 HB2 -0.00 0.10 0.21 -0.04 1.90 2.17 1h1lC1 ARG 92 HB3 0.01 0.05 0.22 -0.04 1.80 2.04 1h1lC1 ARG 92 HG2 0.02 -0.01 -0.29 -0.04 1.67 1.35 1h1lC1 ARG 92 HG3 -0.00 0.04 -0.17 -0.04 1.67 1.50 1h1lC1 ARG 92 HD2 -0.03 -0.09 -0.01 -0.04 3.22 3.05 1h1lC1 ARG 92 HD3 -0.01 -0.04 0.00 -0.04 3.22 3.13 1h1lC1 ALA 93 H 0.05 0.25 0.20 -0.55 8.40 8.36 1h1lC1 ALA 93 HA 0.08 0.04 0.31 -0.75 4.34 4.02 1h1lC1 ALA 93 HB3 0.06 0.04 -0.05 -0.04 1.41 1.42 1h1lC1 GLY 94 H 0.06 0.15 -0.60 -0.55 8.43 7.50 1h1lC1 GLY 94 HA2 0.08 0.12 0.47 -0.51 4.01 4.17 1h1lC1 GLY 94 HA3 0.07 -0.02 0.12 -0.51 4.01 3.67 1h1lC1 ARG 95 H 0.05 0.14 -0.11 -0.55 8.46 7.99 1h1lC1 ARG 95 HA 0.01 0.04 0.85 -0.75 4.34 4.49 1h1lC1 ARG 95 HB2 -0.01 -0.05 0.01 -0.04 1.90 1.82 1h1lC1 ARG 95 HB3 0.00 0.11 0.12 -0.04 1.80 1.99 1h1lC1 ARG 95 HG2 -0.02 0.02 -0.21 -0.04 1.67 1.41 1h1lC1 ARG 95 HG3 -0.05 -0.11 -0.04 -0.04 1.67 1.42 1h1lC1 ARG 95 HD2 -0.05 -0.10 -0.04 -0.04 3.22 2.99 1h1lC1 ARG 95 HD3 -0.07 0.29 0.00 -0.04 3.22 3.40 1h1lC1 ARG 96 H -0.03 0.09 0.07 -0.55 8.46 8.04 1h1lC1 ARG 96 HA 0.17 0.23 0.22 -0.75 4.34 4.21 1h1lC1 ARG 96 HB2 -0.14 -0.09 0.23 -0.04 1.90 1.86 1h1lC1 ARG 96 HB3 -0.16 -0.02 0.19 -0.04 1.80 1.77 1h1lC1 ARG 96 HG2 0.20 0.12 -0.07 -0.04 1.67 1.88 1h1lC1 ARG 96 HG3 0.09 0.01 -0.05 -0.04 1.67 1.68 1h1lC1 ARG 96 HD2 0.28 -0.01 0.06 -0.04 3.22 3.51 1h1lC1 ARG 96 HD3 -0.01 0.02 0.13 -0.04 3.22 3.32 1h1lC1 ASN 97 H 0.11 0.59 -0.12 -0.55 8.53 8.56 1h1lC1 ASN 97 HA -0.01 0.06 0.13 -0.75 4.76 4.19 1h1lC1 ASN 97 HB2 0.07 0.02 0.10 -0.04 2.88 3.03 1h1lC1 ASN 97 HB3 0.04 -0.11 -0.03 -0.04 2.79 2.65 1h1lC1 ASN 97 HD21 0.09 0.07 -0.03 -0.04 7.03 7.12 1h1lC1 ASN 97 HD22 0.18 -0.02 0.18 -0.04 7.74 8.03 1h1lC1 TYR 98 H 0.02 0.36 0.40 -0.55 8.29 8.52 1h1lC1 TYR 98 HA -0.03 0.05 0.33 -0.75 4.56 4.16 1h1lC1 TYR 98 HB2 -0.43 -0.11 0.21 -0.04 3.06 2.69 1h1lC1 TYR 98 HB3 -0.27 0.05 -0.08 -0.04 2.98 2.64 1h1lC1 TYR 98 HD2 0.08 -0.05 -0.24 -0.04 7.15 6.91 1h1lC1 TYR 98 HE2 0.08 0.05 -0.07 -0.04 6.85 6.87 1h1lC1 TYR 99 H -0.21 0.30 0.27 -0.55 8.29 8.10 1h1lC1 TYR 99 HA 0.34 0.08 0.66 -0.75 4.56 4.90 1h1lC1 TYR 99 HB2 0.16 0.07 0.20 -0.04 3.06 3.44 1h1lC1 TYR 99 HB3 0.10 0.07 0.05 -0.04 2.98 3.16 1h1lC1 TYR 99 HD2 0.07 0.21 -0.26 -0.04 7.15 7.13 1h1lC1 TYR 99 HE2 0.01 -0.02 -0.18 -0.04 6.85 6.63 1h1lC1 THR 100 H 0.47 0.23 0.21 -0.55 8.28 8.64 1h1lC1 THR 100 HA 0.02 0.22 0.97 -0.75 4.39 4.85 1h1lC1 THR 100 HB 0.00 0.03 0.07 -0.04 4.32 4.37 1h1lC1 THR 100 HG23 -0.13 -0.00 -0.06 -0.04 1.22 0.99 1h1lC1 GLY 101 H 0.04 0.36 0.20 -0.55 8.43 8.48 1h1lC1 GLY 101 HA2 0.07 0.07 0.17 -0.51 4.01 3.81 1h1lC1 GLY 101 HA3 0.16 0.13 0.51 -0.51 4.01 4.30 1h1lC1 VAL 102 H 0.01 0.18 0.04 -0.55 8.24 7.92 1h1lC1 VAL 102 HA 0.01 0.17 0.82 -0.75 4.13 4.38 1h1lC1 VAL 102 HB -0.00 -0.10 0.23 -0.04 2.12 2.21 1h1lC1 VAL 102 HG13 0.01 0.04 0.01 -0.04 0.97 1.00 1h1lC1 VAL 102 HG23 0.01 0.02 -0.03 -0.04 0.95 0.90 1h1lC1 SER 103 H 0.04 0.22 -0.09 -0.55 8.46 8.08 1h1lC1 SER 103 HA -0.02 0.11 0.46 -0.75 4.49 4.28 1h1lC1 SER 103 HB2 0.12 -0.03 -0.00 -0.04 3.95 3.99 1h1lC1 SER 103 HB3 0.04 0.03 0.08 -0.04 3.93 4.05 1h1lC1 GLY 104 H -0.09 0.51 0.37 -0.55 8.43 8.67 1h1lC1 GLY 104 HA2 0.36 -0.02 0.37 -0.51 4.01 4.22 1h1lC1 GLY 104 HA3 0.22 0.06 0.39 -0.51 4.01 4.17 1h1lC1 VAL 105 H -0.07 0.27 -0.27 -0.55 8.24 7.62 1h1lC1 VAL 105 HA 0.20 0.22 0.77 -0.75 4.13 4.57 1h1lC1 VAL 105 HB 0.01 -0.08 0.16 -0.04 2.12 2.17 1h1lC1 VAL 105 HG13 0.06 0.00 -0.01 -0.04 0.97 0.97 1h1lC1 VAL 105 HG23 0.06 0.05 -0.16 -0.04 0.95 0.85 1h1lC1 ASP 106 H -0.13 0.24 0.27 -0.55 8.40 8.24 1h1lC1 ASP 106 HA 0.05 0.34 0.88 -0.75 4.63 5.14 1h1lC1 ASP 106 HB2 0.02 0.06 0.18 -0.04 2.71 2.93 1h1lC1 ASP 106 HB3 0.03 0.03 -0.02 -0.04 2.70 2.71 1h1lC1 SER 107 H -0.68 0.22 0.08 -0.55 8.46 7.55 1h1lC1 SER 107 HA -0.40 0.55 0.88 -0.75 4.49 4.77 1h1lC1 SER 107 HB2 -0.01 -0.15 -0.21 -0.04 3.95 3.53 1h1lC1 SER 107 HB3 -0.27 0.00 0.05 -0.04 3.93 3.67 1h1lC1 PHE 108 H -0.13 0.46 0.27 -0.55 8.34 8.39 1h1lC1 PHE 108 HA 0.05 0.02 0.96 -0.75 4.62 4.90 1h1lC1 PHE 108 HB2 0.05 0.18 -0.04 -0.04 3.15 3.30 1h1lC1 PHE 108 HB3 0.27 -0.06 0.12 -0.04 3.06 3.34 1h1lC1 PHE 108 HD2 0.05 0.07 -0.25 -0.04 7.28 7.10 1h1lC1 PHE 108 HE2 0.15 0.13 -0.38 -0.04 7.38 7.24 1h1lC1 PHE 108 HZ 0.08 0.18 -0.44 -0.04 7.32 7.09 1h1lC1 GLY 109 H -0.21 0.05 0.07 -0.55 8.43 7.79 1h1lC1 GLY 109 HA2 0.08 0.23 0.31 -0.51 4.01 4.12 1h1lC1 GLY 109 HA3 -0.12 0.06 0.29 -0.51 4.01 3.73 1h1lC1 THR 110 H 0.13 -0.00 -0.16 -0.55 8.28 7.70 1h1lC1 THR 110 HA 0.08 0.20 0.94 -0.75 4.39 4.85 1h1lC1 THR 110 HB 0.06 0.03 0.11 -0.04 4.32 4.47 1h1lC1 THR 110 HG23 0.18 -0.01 -0.06 -0.04 1.22 1.29 1h1lC1 LEU 111 H 0.00 0.25 -0.37 -0.55 8.37 7.70 1h1lC1 LEU 111 HA -0.14 0.12 0.67 -0.75 4.35 4.24 1h1lC1 LEU 111 HB2 -0.33 0.12 0.09 -0.04 1.64 1.49 1h1lC1 LEU 111 HB3 -0.94 -0.01 -0.07 -0.04 1.64 0.59 1h1lC1 LEU 111 HG -0.13 0.03 -0.00 -0.04 1.64 1.49 1h1lC1 LEU 111 HD13 0.04 -0.02 -0.13 -0.04 0.93 0.77 1h1lC1 LEU 111 HD23 -0.11 0.02 0.01 -0.04 0.89 0.77 1h1lC1 ASN 112 H -0.22 0.17 0.06 -0.55 8.53 7.99 1h1lC1 ASN 112 HA -0.06 0.21 0.84 -0.75 4.76 5.00 1h1lC1 ASN 112 HB2 -0.04 0.10 -0.03 -0.04 2.88 2.88 1h1lC1 ASN 112 HB3 -0.08 -0.02 0.12 -0.04 2.79 2.77 1h1lC1 ASN 112 HD21 -0.05 -0.14 -0.28 -0.04 7.03 6.52 1h1lC1 ASN 112 HD22 -0.05 0.04 -0.15 -0.04 7.74 7.54 1h1lC1 PHE 113 H 0.10 0.31 0.06 -0.55 8.34 8.26 1h1lC1 PHE 113 HA -0.04 0.20 0.77 -0.75 4.62 4.79 1h1lC1 PHE 113 HB2 -0.08 0.06 0.03 -0.04 3.15 3.11 1h1lC1 PHE 113 HB3 -0.08 -0.00 -0.02 -0.04 3.06 2.91 1h1lC1 PHE 113 HD2 -0.15 0.07 -0.02 -0.04 7.28 7.14 1h1lC1 PHE 113 HE2 -0.95 0.08 -0.01 -0.04 7.38 6.47 1h1lC1 PHE 113 HZ -0.63 0.03 -0.04 -0.04 7.32 6.64 1h1lC1 THR 114 H 0.11 0.33 0.19 -0.55 8.28 8.36 1h1lC1 THR 114 HA 0.09 0.14 0.74 -0.75 4.39 4.60 1h1lC1 THR 114 HB 0.03 0.08 -0.21 -0.04 4.32 4.18 1h1lC1 THR 114 HG23 0.02 0.03 -0.10 -0.04 1.22 1.13 1h1lC1 SER 115 H 0.12 0.28 0.20 -0.55 8.46 8.52 1h1lC1 SER 115 HA 0.15 0.26 0.66 -0.75 4.49 4.80 1h1lC1 SER 115 HB2 0.39 -0.01 0.09 -0.04 3.95 4.39 1h1lC1 SER 115 HB3 0.30 0.05 -0.03 -0.04 3.93 4.22 1h1lC1 ASP 116 H 0.08 0.05 -0.22 -0.55 8.40 7.76 1h1lC1 ASP 116 HA 0.05 -0.11 0.25 -0.75 4.63 4.07 1h1lC1 ASP 116 HB2 0.05 0.04 -0.10 -0.04 2.71 2.66 1h1lC1 ASP 116 HB3 0.07 0.11 -0.17 -0.04 2.70 2.66 1h1lC1 PHE 117 H 0.27 0.33 -0.41 -0.55 8.34 7.97 1h1lC1 PHE 117 HA -0.01 0.06 0.22 -0.75 4.62 4.14 1h1lC1 PHE 117 HB2 -0.05 -0.15 -0.34 -0.04 3.15 2.57 1h1lC1 PHE 117 HB3 -0.04 0.07 -0.18 -0.04 3.06 2.87 1h1lC1 PHE 117 HD2 -0.05 0.09 -0.21 -0.04 7.28 7.06 1h1lC1 PHE 117 HE2 -0.14 0.05 -0.13 -0.04 7.38 7.12 1h1lC1 PHE 117 HZ -0.52 -0.03 -0.11 -0.04 7.32 6.62 1h1lC1 GLN 118 H -0.01 0.06 0.20 -0.55 8.47 8.18 1h1lC1 GLN 118 HA 0.04 0.22 0.72 -0.75 4.36 4.59 1h1lC1 GLN 118 HB2 0.00 -0.06 0.16 -0.04 2.15 2.21 1h1lC1 GLN 118 HB3 0.01 -0.05 0.20 -0.04 2.02 2.15 1h1lC1 GLN 118 HG2 0.03 0.22 0.02 -0.04 2.40 2.63 1h1lC1 GLN 118 HG3 0.02 0.02 0.06 -0.04 2.39 2.44 1h1lC1 GLN 118 HE21 0.02 0.01 0.06 -0.04 6.97 7.01 1h1lC1 GLN 118 HE22 0.02 -0.03 0.08 -0.04 7.69 7.72 1h1lC1 GLU 119 H 0.01 0.24 0.12 -0.55 8.60 8.42 1h1lC1 GLU 119 HA -0.01 0.06 0.48 -0.75 4.29 4.06 1h1lC1 GLU 119 HB2 -0.01 0.04 0.16 -0.04 2.09 2.24 1h1lC1 GLU 119 HB3 -0.01 0.02 0.15 -0.04 1.99 2.11 1h1lC1 GLU 119 HG2 -0.05 0.02 -0.06 -0.04 2.34 2.20 1h1lC1 GLU 119 HG3 -0.04 -0.01 0.08 -0.04 2.34 2.33 1h1lC1 ARG 120 H 0.00 0.11 -0.21 -0.55 8.46 7.81 1h1lC1 ARG 120 HA 0.01 0.10 0.29 -0.75 4.34 3.98 1h1lC1 ASP 121 H -0.09 0.28 -0.30 -0.55 8.40 7.75 1h1lC1 ASP 121 HA -0.17 0.22 0.33 -0.75 4.63 4.25 1h1lC1 ASP 121 HB2 -0.42 0.08 0.05 -0.04 2.71 2.39 1h1lC1 ASP 121 HB3 -1.03 -0.07 -0.10 -0.04 2.70 1.46 1h1lC1 ILE 122 H -0.08 0.34 -0.14 -0.55 8.25 7.81 1h1lC1 ILE 122 HA -0.01 0.02 0.52 -0.75 4.18 3.96 1h1lC1 ILE 122 HB -0.04 0.11 0.14 -0.04 1.89 2.06 1h1lC1 ILE 122 HG12 0.07 -0.01 -0.11 -0.04 1.49 1.40 1h1lC1 ILE 122 HG13 0.05 -0.01 -0.07 -0.04 1.21 1.13 1h1lC1 ILE 122 HG23 -0.02 0.01 -0.11 -0.04 0.93 0.77 1h1lC1 ILE 122 HD13 0.17 -0.01 -0.08 -0.04 0.88 0.91 1h1lC1 VAL 123 H -0.15 0.38 -0.15 -0.55 8.24 7.77 1h1lC1 VAL 123 HA -0.24 0.10 0.45 -0.75 4.13 3.68 1h1lC1 VAL 123 HB -0.55 -0.01 0.15 -0.04 2.12 1.67 1h1lC1 VAL 123 HG13 -0.83 0.00 -0.02 -0.04 0.97 0.08 1h1lC1 VAL 123 HG23 -0.18 0.02 -0.00 -0.04 0.95 0.74 1h1lC1 PHE 124 H -0.11 0.51 0.06 -0.55 8.34 8.24 1h1lC1 PHE 124 HA -0.03 0.19 0.61 -0.75 4.62 4.65 1h1lC1 PHE 124 HB2 -0.05 0.06 0.10 -0.04 3.15 3.21 1h1lC1 PHE 124 HB3 -0.03 -0.05 0.14 -0.04 3.06 3.08 1h1lC1 PHE 124 HD2 -0.03 0.05 0.03 -0.04 7.28 7.28 1h1lC1 PHE 124 HE2 -0.02 -0.02 -0.01 -0.04 7.38 7.30 1h1lC1 PHE 124 HZ -0.02 -0.00 -0.01 -0.04 7.32 7.25 1h1lC1 GLY 125 H -0.04 0.22 -0.33 -0.55 8.43 7.73 1h1lC1 GLY 125 HA2 -0.04 0.09 0.40 -0.51 4.01 3.96 1h1lC1 GLY 125 HA3 0.02 0.07 0.57 -0.51 4.01 4.16 1h1lC1 GLY 126 H -0.00 0.13 0.14 -0.55 8.43 8.15 1h1lC1 GLY 126 HA2 -0.15 0.20 0.69 -0.51 4.01 4.24 1h1lC1 GLY 126 HA3 -0.16 0.02 0.28 -0.51 4.01 3.64 1h1lC1 ASP 127 H 0.05 0.26 -0.03 -0.55 8.40 8.12 1h1lC1 ASP 127 HA 0.07 0.07 0.41 -0.75 4.63 4.43 1h1lC1 ASP 127 HB2 0.04 0.11 0.07 -0.04 2.71 2.89 1h1lC1 ASP 127 HB3 0.02 0.09 -0.01 -0.04 2.70 2.76 1h1lC1 LYS 128 H 0.01 0.17 -0.14 -0.55 8.42 7.91 1h1lC1 LYS 128 HA -0.01 0.14 0.56 -0.75 4.32 4.26 1h1lC1 LYS 128 HB2 -0.01 0.02 0.05 -0.04 1.87 1.88 1h1lC1 LYS 128 HB3 -0.02 0.06 -0.07 -0.04 1.79 1.73 1h1lC1 LYS 128 HG2 -0.01 0.05 0.02 -0.04 1.46 1.48 1h1lC1 LYS 128 HG3 -0.00 -0.08 -0.00 -0.04 1.46 1.34 1h1lC1 LYS 128 HD2 -0.02 0.03 -0.00 -0.04 1.69 1.65 1h1lC1 LYS 128 HD3 -0.03 0.04 -0.01 -0.04 1.68 1.64 1h1lC1 LYS 128 HE2 -0.01 -0.01 -0.01 -0.04 2.99 2.92 1h1lC1 LYS 128 HE3 -0.00 -0.00 -0.00 -0.04 2.99 2.94 1h1lC1 LYS 129 H -0.01 0.08 -0.24 -0.55 8.42 7.70 1h1lC1 LYS 129 HA 0.00 0.11 0.34 -0.75 4.32 4.01 1h1lC1 LYS 129 HB2 -0.03 0.01 0.09 -0.04 1.87 1.89 1h1lC1 LYS 129 HB3 0.03 0.04 0.10 -0.04 1.79 1.93 1h1lC1 LYS 129 HG2 0.07 -0.01 -0.12 -0.04 1.46 1.35 1h1lC1 LYS 129 HG3 0.02 0.02 0.02 -0.04 1.46 1.49 1h1lC1 LYS 129 HD2 -0.05 -0.07 -0.01 -0.04 1.69 1.52 1h1lC1 LYS 129 HD3 0.03 -0.04 -0.01 -0.04 1.68 1.61 1h1lC1 LYS 129 HE2 0.08 0.02 -0.02 -0.04 2.99 3.02 1h1lC1 LYS 129 HE3 0.03 -0.03 -0.02 -0.04 2.99 2.92 1h1lC1 LEU 130 H 0.05 0.51 -0.19 -0.55 8.37 8.19 1h1lC1 LEU 130 HA -0.04 0.01 0.25 -0.75 4.35 3.82 1h1lC1 LEU 130 HB2 -0.21 -0.03 0.07 -0.04 1.64 1.43 1h1lC1 LEU 130 HB3 -0.08 0.09 0.12 -0.04 1.64 1.73 1h1lC1 LEU 130 HG -0.18 0.08 -0.31 -0.04 1.64 1.19 1h1lC1 LEU 130 HD13 -0.38 -0.01 -0.08 -0.04 0.93 0.42 1h1lC1 LEU 130 HD23 -0.41 -0.02 -0.08 -0.04 0.89 0.34 1h1lC1 SER 131 H -0.03 0.47 -0.17 -0.55 8.46 8.18 1h1lC1 SER 131 HA -0.05 0.04 0.46 -0.75 4.49 4.18 1h1lC1 SER 131 HB2 -0.02 0.00 0.13 -0.04 3.95 4.02 1h1lC1 SER 131 HB3 -0.02 0.08 0.12 -0.04 3.93 4.07 1h1lC1 LYS 132 H -0.01 0.54 -0.11 -0.55 8.42 8.28 1h1lC1 LYS 132 HA -0.01 0.04 0.56 -0.75 4.32 4.16 1h1lC1 LYS 132 HB2 -0.01 0.00 0.10 -0.04 1.87 1.93 1h1lC1 LYS 132 HB3 -0.00 0.11 0.17 -0.04 1.79 2.02 1h1lC1 LYS 132 HG2 0.00 -0.03 -0.04 -0.04 1.46 1.35 1h1lC1 LYS 132 HG3 0.00 -0.02 -0.21 -0.04 1.46 1.19 1h1lC1 LYS 132 HD2 -0.01 -0.01 0.05 -0.04 1.69 1.69 1h1lC1 LYS 132 HD3 -0.01 0.00 0.01 -0.04 1.68 1.64 1h1lC1 LYS 132 HE2 -0.00 0.01 -0.02 -0.04 2.99 2.94 1h1lC1 LYS 132 HE3 -0.00 -0.02 -0.03 -0.04 2.99 2.90 1h1lC1 LEU 133 H -0.01 0.61 -0.09 -0.55 8.37 8.34 1h1lC1 LEU 133 HA 0.02 0.01 0.38 -0.75 4.35 4.00 1h1lC1 LEU 133 HB2 0.03 -0.00 0.01 -0.04 1.64 1.63 1h1lC1 LEU 133 HB3 -0.03 0.14 0.06 -0.04 1.64 1.77 1h1lC1 LEU 133 HG 0.04 0.01 -0.08 -0.04 1.64 1.57 1h1lC1 LEU 133 HD13 0.07 -0.03 -0.24 -0.04 0.93 0.68 1h1lC1 LEU 133 HD23 -0.06 -0.01 -0.45 -0.04 0.89 0.33 1h1lC1 ILE 134 H -0.05 0.54 -0.21 -0.55 8.25 7.98 1h1lC1 ILE 134 HA -0.10 0.00 0.47 -0.75 4.18 3.80 1h1lC1 ILE 134 HB -0.07 0.13 0.14 -0.04 1.89 2.04 1h1lC1 ILE 134 HG12 -0.14 -0.01 -0.06 -0.04 1.49 1.23 1h1lC1 ILE 134 HG13 -0.12 -0.04 -0.05 -0.04 1.21 0.97 1h1lC1 ILE 134 HG23 -0.09 0.00 -0.12 -0.04 0.93 0.68 1h1lC1 ILE 134 HD13 -0.13 -0.03 -0.17 -0.04 0.88 0.51 1h1lC1 GLU 135 H -0.03 0.36 -0.22 -0.55 8.60 8.17 1h1lC1 GLU 135 HA -0.02 0.07 0.43 -0.75 4.29 4.02 1h1lC1 GLU 135 HB2 -0.01 0.12 0.19 -0.04 2.09 2.34 1h1lC1 GLU 135 HB3 -0.01 -0.03 0.01 -0.04 1.99 1.92 1h1lC1 GLU 135 HG2 -0.02 0.01 0.02 -0.04 2.34 2.30 1h1lC1 GLU 135 HG3 -0.02 0.18 0.10 -0.04 2.34 2.56 1h1lC1 GLU 136 H -0.00 0.53 -0.12 -0.55 8.60 8.46 1h1lC1 GLU 136 HA 0.01 0.03 0.44 -0.75 4.29 4.02 1h1lC1 GLU 136 HB2 0.03 0.08 0.14 -0.04 2.09 2.30 1h1lC1 GLU 136 HB3 0.05 -0.04 0.01 -0.04 1.99 1.97 1h1lC1 GLU 136 HG2 0.01 -0.02 0.01 -0.04 2.34 2.30 1h1lC1 GLU 136 HG3 0.01 0.10 0.03 -0.04 2.34 2.44 1h1lC1 MET 137 H 0.00 0.53 -0.21 -0.55 8.47 8.25 1h1lC1 MET 137 HA 0.22 -0.03 0.31 -0.75 4.52 4.27 1h1lC1 MET 137 HB2 -0.11 -0.05 0.07 -0.04 2.15 2.02 1h1lC1 MET 137 HB3 -0.10 0.16 0.16 -0.04 2.03 2.21 1h1lC1 MET 137 HG2 -0.22 0.11 -0.25 -0.04 2.63 2.23 1h1lC1 MET 137 HG3 -0.32 -0.05 -0.02 -0.04 2.56 2.13 1h1lC1 MET 137 HE3 -0.57 -0.03 -0.15 -0.04 2.10 1.32 1h1lC1 GLU 138 H -0.02 0.40 -0.36 -0.55 8.60 8.07 1h1lC1 GLU 138 HA -0.03 0.08 0.04 -0.75 4.29 3.63 1h1lC1 GLU 138 HB2 -0.05 0.01 0.04 -0.04 2.09 2.05 1h1lC1 GLU 138 HB3 -0.02 0.04 0.06 -0.04 1.99 2.03 1h1lC1 GLU 138 HG2 -0.03 -0.02 -0.04 -0.04 2.34 2.22 1h1lC1 GLU 138 HG3 -0.02 -0.02 -0.16 -0.04 2.34 2.10 1h1lC1 LEU 139 H -0.01 0.32 -0.24 -0.55 8.37 7.89 1h1lC1 LEU 139 HA -0.02 0.03 0.51 -0.75 4.35 4.11 1h1lC1 LEU 139 HB2 -0.01 0.02 0.14 -0.04 1.64 1.74 1h1lC1 LEU 139 HB3 -0.01 0.14 0.22 -0.04 1.64 1.94 1h1lC1 LEU 139 HG -0.03 0.01 -0.12 -0.04 1.64 1.45 1h1lC1 LEU 139 HD13 -0.02 -0.01 0.04 -0.04 0.93 0.90 1h1lC1 LEU 139 HD23 -0.01 -0.03 0.01 -0.04 0.89 0.82 1h1lC1 LEU 140 H -0.02 0.51 -0.09 -0.55 8.37 8.22 1h1lC1 LEU 140 HA -0.22 0.03 0.43 -0.75 4.35 3.83 1h1lC1 LEU 140 HB2 -0.04 0.09 0.08 -0.04 1.64 1.73 1h1lC1 LEU 140 HB3 -0.53 -0.07 0.04 -0.04 1.64 1.04 1h1lC1 LEU 140 HG -0.05 0.00 0.00 -0.04 1.64 1.56 1h1lC1 LEU 140 HD13 0.03 -0.03 -0.03 -0.04 0.93 0.86 1h1lC1 LEU 140 HD23 -0.10 -0.01 -0.01 -0.04 0.89 0.73 1h1lC1 PHE 141 H 0.02 0.53 -0.19 -0.55 8.34 8.15 1h1lC1 PHE 141 HA 0.09 0.14 0.68 -0.75 4.62 4.78 1h1lC1 PHE 141 HB2 -0.22 0.06 0.10 -0.04 3.15 3.05 1h1lC1 PHE 141 HB3 -0.23 -0.10 0.00 -0.04 3.06 2.69 1h1lC1 PHE 141 HD2 0.19 0.05 -0.03 -0.04 7.28 7.45 1h1lC1 PHE 141 HE2 0.23 -0.05 -0.01 -0.04 7.38 7.51 1h1lC1 PHE 141 HZ 0.15 -0.07 -0.03 -0.04 7.32 7.33 1h1lC1 PRO 142 HA 0.01 0.19 -0.06 -0.51 4.44 4.07 1h1lC1 PRO 142 HB2 0.03 -0.04 0.02 -0.04 2.28 2.25 1h1lC1 PRO 142 HB3 0.01 0.05 0.13 -0.04 2.02 2.17 1h1lC1 PRO 142 HG2 0.04 -0.06 0.08 -0.04 2.03 2.05 1h1lC1 PRO 142 HG3 -0.00 -0.00 0.07 -0.04 2.03 2.06 1h1lC1 PRO 142 HD2 -0.02 0.15 -0.13 -0.04 3.68 3.64 1h1lC1 PRO 142 HD3 -0.04 0.34 -0.20 -0.04 3.65 3.71 1h1lC1 LEU 143 H 0.17 0.11 -0.26 -0.55 8.37 7.84 1h1lC1 LEU 143 HA 0.09 0.15 0.48 -0.75 4.35 4.31 1h1lC1 LEU 143 HB2 0.25 0.37 0.10 -0.04 1.64 2.33 1h1lC1 LEU 143 HB3 0.15 -0.11 0.15 -0.04 1.64 1.80 1h1lC1 LEU 143 HG 0.10 -0.02 -0.01 -0.04 1.64 1.67 1h1lC1 LEU 143 HD13 0.07 -0.04 -0.07 -0.04 0.93 0.85 1h1lC1 LEU 143 HD23 0.06 0.01 -0.08 -0.04 0.89 0.84 1h1lC1 THR 144 H -0.00 0.38 -0.21 -0.55 8.28 7.89 1h1lC1 THR 144 HA 0.06 -0.01 0.41 -0.75 4.39 4.09 1h1lC1 THR 144 HB -0.28 -0.08 -0.05 -0.04 4.32 3.88 1h1lC1 THR 144 HG23 -1.00 -0.00 -0.07 -0.04 1.22 0.11 1h1lC1 LYS 145 H 0.02 0.73 0.51 -0.55 8.42 9.13 1h1lC1 LYS 145 HA 0.01 0.23 0.51 -0.75 4.32 4.31 1h1lC1 LYS 145 HB2 0.03 -0.04 0.13 -0.04 1.87 1.95 1h1lC1 LYS 145 HB3 0.03 -0.10 0.08 -0.04 1.79 1.76 1h1lC1 LYS 145 HG2 0.08 0.20 0.05 -0.04 1.46 1.75 1h1lC1 LYS 145 HG3 0.06 -0.19 0.10 -0.04 1.46 1.39 1h1lC1 LYS 145 HD2 0.04 -0.07 0.06 -0.04 1.69 1.68 1h1lC1 LYS 145 HD3 0.04 0.17 -0.04 -0.04 1.68 1.82 1h1lC1 LYS 145 HE2 0.05 0.01 0.03 -0.04 2.99 3.04 1h1lC1 LYS 145 HE3 0.06 0.06 0.04 -0.04 2.99 3.11 1h1lC1 GLY 146 H -0.10 0.21 0.25 -0.55 8.43 8.24 1h1lC1 GLY 146 HA2 -0.08 0.24 0.44 -0.51 4.01 4.10 1h1lC1 GLY 146 HA3 -0.06 -0.05 0.35 -0.51 4.01 3.74 1h1lC1 ILE 147 H -0.13 0.66 0.24 -0.55 8.25 8.46 1h1lC1 ILE 147 HA -0.32 0.25 0.94 -0.75 4.18 4.30 1h1lC1 ILE 147 HB -0.18 0.01 0.11 -0.04 1.89 1.79 1h1lC1 ILE 147 HG12 -0.35 0.01 -0.05 -0.04 1.49 1.05 1h1lC1 ILE 147 HG13 -0.21 0.04 -0.44 -0.04 1.21 0.55 1h1lC1 ILE 147 HG23 -0.26 -0.03 -0.11 -0.04 0.93 0.50 1h1lC1 ILE 147 HD13 -0.20 -0.00 -0.11 -0.04 0.88 0.53 1h1lC1 THR 148 H -0.28 0.57 0.29 -0.55 8.28 8.31 1h1lC1 THR 148 HA -0.28 0.21 0.82 -0.75 4.39 4.38 1h1lC1 THR 148 HB -0.50 0.01 0.01 -0.04 4.32 3.80 1h1lC1 THR 148 HG23 -0.20 0.02 -0.18 -0.04 1.22 0.81 1h1lC1 ILE 149 H -0.31 0.72 0.19 -0.55 8.25 8.30 1h1lC1 ILE 149 HA -0.13 0.16 0.91 -0.75 4.18 4.37 1h1lC1 ILE 149 HB -0.22 -0.10 0.16 -0.04 1.89 1.69 1h1lC1 ILE 149 HG12 -0.21 0.03 -0.18 -0.04 1.49 1.09 1h1lC1 ILE 149 HG13 -0.23 0.00 -0.47 -0.04 1.21 0.47 1h1lC1 ILE 149 HG23 -0.17 -0.03 -0.11 -0.04 0.93 0.58 1h1lC1 ILE 149 HD13 -0.22 -0.00 -0.21 -0.04 0.88 0.41 1h1lC1 GLN 150 H -0.03 0.91 0.27 -0.55 8.47 9.08 1h1lC1 GLN 150 HA -0.09 0.07 0.89 -0.75 4.36 4.48 1h1lC1 GLN 150 HB2 0.10 0.02 0.18 -0.04 2.15 2.41 1h1lC1 GLN 150 HB3 -0.05 -0.07 0.03 -0.04 2.02 1.89 1h1lC1 GLN 150 HG2 -0.10 0.01 -0.25 -0.04 2.40 2.02 1h1lC1 GLN 150 HG3 -0.10 0.03 -0.14 -0.04 2.39 2.15 1h1lC1 GLN 150 HE21 -1.05 0.03 -0.17 -0.04 6.97 5.74 1h1lC1 GLN 150 HE22 -0.36 0.03 -0.23 -0.04 7.69 7.09 1h1lC1 SER 151 H -0.02 0.41 0.26 -0.55 8.46 8.57 1h1lC1 SER 151 HA 0.01 0.12 0.54 -0.75 4.49 4.40 1h1lC1 SER 151 HB2 -0.04 -0.24 0.14 -0.04 3.95 3.77 1h1lC1 SER 151 HB3 -0.03 -0.02 -0.01 -0.04 3.93 3.82 1h1lC1 GLU 152 H -0.18 0.55 0.38 -0.55 8.60 8.80 1h1lC1 GLU 152 HA -0.19 0.07 0.75 -0.75 4.29 4.17 1h1lC1 GLU 152 HB2 -0.33 0.04 0.18 -0.04 2.09 1.94 1h1lC1 GLU 152 HB3 -0.30 -0.10 0.11 -0.04 1.99 1.66 1h1lC1 GLU 152 HG2 -0.74 -0.04 -0.16 -0.04 2.34 1.36 1h1lC1 GLU 152 HG3 -0.20 0.17 -0.23 -0.04 2.34 2.04 1h1lC1 CYS 153 H -0.10 0.12 0.21 -0.55 8.50 8.19 1h1lC1 CYS 153 HA 0.13 -0.10 0.33 -0.75 4.58 4.19 1h1lC1 CYS 153 HB2 0.01 0.07 0.16 -0.04 2.97 3.17 1h1lC1 CYS 153 HB3 0.15 0.13 -0.01 -0.04 2.97 3.21 1h1lC1 PRO 154 HA 0.04 0.12 0.37 -0.51 4.44 4.46 1h1lC1 PRO 154 HB2 0.01 0.02 -0.08 -0.04 2.28 2.19 1h1lC1 PRO 154 HB3 0.05 0.12 0.05 -0.04 2.02 2.20 1h1lC1 PRO 154 HG2 -0.10 0.02 0.04 -0.04 2.03 1.95 1h1lC1 PRO 154 HG3 -0.02 0.09 0.04 -0.04 2.03 2.10 1h1lC1 PRO 154 HD2 -0.20 0.07 -0.13 -0.04 3.68 3.38 1h1lC1 PRO 154 HD3 -0.06 0.04 0.11 -0.04 3.65 3.70 1h1lC1 VAL 155 H -0.09 0.48 -0.14 -0.55 8.24 7.93 1h1lC1 VAL 155 HA 0.07 0.03 0.21 -0.75 4.13 3.69 1h1lC1 VAL 155 HB -0.03 -0.05 0.07 -0.04 2.12 2.07 1h1lC1 VAL 155 HG13 0.10 0.00 -0.19 -0.04 0.97 0.85 1h1lC1 VAL 155 HG23 -0.33 0.01 0.02 -0.04 0.95 0.61 1h1lC1 GLY 156 H 0.08 0.12 -0.12 -0.55 8.43 7.97 1h1lC1 GLY 156 HA2 0.08 0.11 0.47 -0.51 4.01 4.16 1h1lC1 GLY 156 HA3 0.16 0.03 0.34 -0.51 4.01 4.03 1h1lC1 LEU 157 H 0.16 0.16 -0.16 -0.55 8.37 7.98 1h1lC1 LEU 157 HA 0.01 0.05 -0.05 -0.75 4.35 3.60 1h1lC1 LEU 157 HB2 0.00 0.04 0.07 -0.04 1.64 1.70 1h1lC1 LEU 157 HB3 -0.07 0.04 0.07 -0.04 1.64 1.64 1h1lC1 LEU 157 HG 0.02 -0.05 0.08 -0.04 1.64 1.66 1h1lC1 LEU 157 HD13 -0.16 -0.03 -0.08 -0.04 0.93 0.62 1h1lC1 LEU 157 HD23 -0.59 0.01 -0.01 -0.04 0.89 0.25 1h1lC1 ILE 158 H 0.06 0.24 -0.39 -0.55 8.25 7.61 1h1lC1 ILE 158 HA 0.01 0.20 0.91 -0.75 4.18 4.55 1h1lC1 ILE 158 HB 0.02 0.09 0.16 -0.04 1.89 2.12 1h1lC1 ILE 158 HG12 0.10 0.28 0.10 -0.04 1.49 1.93 1h1lC1 ILE 158 HG13 0.08 -0.11 -0.16 -0.04 1.21 0.98 1h1lC1 ILE 158 HG23 0.03 -0.02 0.00 -0.04 0.93 0.91 1h1lC1 ILE 158 HD13 0.13 -0.06 -0.01 -0.04 0.88 0.90 1h1lC1 GLY 159 H 0.05 0.41 0.08 -0.55 8.43 8.43 1h1lC1 GLY 159 HA2 0.04 0.02 0.25 -0.51 4.01 3.82 1h1lC1 GLY 159 HA3 0.03 0.09 0.14 -0.51 4.01 3.76 1h1lC1 ASP 160 H 0.07 0.30 0.13 -0.55 8.40 8.35 1h1lC1 ASP 160 HA 0.07 0.06 0.37 -0.75 4.63 4.37 1h1lC1 ASP 160 HB2 0.12 0.17 0.14 -0.04 2.71 3.10 1h1lC1 ASP 160 HB3 0.15 -0.12 0.00 -0.04 2.70 2.69 1h1lC1 ASP 161 H 0.06 0.13 0.12 -0.55 8.40 8.16 1h1lC1 ASP 161 HA 0.04 0.23 0.92 -0.75 4.63 5.07 1h1lC1 ASP 161 HB2 0.04 0.21 0.07 -0.04 2.71 2.99 1h1lC1 ASP 161 HB3 0.04 -0.00 0.27 -0.04 2.70 2.96 1h1lC1 ILE 162 H 0.04 0.26 -0.13 -0.55 8.25 7.87 1h1lC1 ILE 162 HA -0.01 0.08 0.32 -0.75 4.18 3.82 1h1lC1 ILE 162 HB -0.10 0.06 -0.01 -0.04 1.89 1.80 1h1lC1 ILE 162 HG12 -0.01 -0.00 -0.08 -0.04 1.49 1.36 1h1lC1 ILE 162 HG13 -0.10 0.07 -0.34 -0.04 1.21 0.80 1h1lC1 ILE 162 HG23 0.11 0.01 -0.10 -0.04 0.93 0.91 1h1lC1 ILE 162 HD13 -0.06 -0.01 -0.14 -0.04 0.88 0.63 1h1lC1 SER 163 H 0.02 0.10 -0.28 -0.55 8.46 7.76 1h1lC1 SER 163 HA -0.01 0.14 0.64 -0.75 4.49 4.51 1h1lC1 SER 163 HB2 0.10 -0.00 0.06 -0.04 3.95 4.07 1h1lC1 SER 163 HB3 0.25 0.12 0.05 -0.04 3.93 4.31 1h1lC1 ALA 164 H 0.04 0.16 -0.14 -0.55 8.40 7.92 1h1lC1 ALA 164 HA 0.06 0.13 0.32 -0.75 4.34 4.10 1h1lC1 ALA 164 HB3 0.03 0.03 0.11 -0.04 1.41 1.54 1h1lC1 VAL 165 H 0.00 0.16 -0.15 -0.55 8.24 7.71 1h1lC1 VAL 165 HA -0.01 0.06 0.22 -0.75 4.13 3.65 1h1lC1 VAL 165 HB -0.07 0.08 0.06 -0.04 2.12 2.14 1h1lC1 VAL 165 HG13 -0.06 -0.01 -0.13 -0.04 0.97 0.73 1h1lC1 VAL 165 HG23 -0.01 0.02 0.05 -0.04 0.95 0.97 1h1lC1 ALA 166 H -0.05 0.49 -0.29 -0.55 8.40 8.01 1h1lC1 ALA 166 HA -0.08 -0.03 0.32 -0.75 4.34 3.79 1h1lC1 ALA 166 HB3 -0.19 0.06 0.06 -0.04 1.41 1.30 1h1lC1 ASN 167 H 0.12 0.63 -0.01 -0.55 8.53 8.73 1h1lC1 ASN 167 HA 0.16 0.05 0.44 -0.75 4.76 4.65 1h1lC1 ASN 167 HB2 0.09 0.01 0.13 -0.04 2.88 3.07 1h1lC1 ASN 167 HB3 0.07 -0.02 -0.06 -0.04 2.79 2.75 1h1lC1 ASN 167 HD21 0.22 -0.05 0.00 -0.04 7.03 7.16 1h1lC1 ASN 167 HD22 0.15 -0.07 -0.07 -0.04 7.74 7.71 1h1lC1 ALA 168 H 0.03 0.72 -0.09 -0.55 8.40 8.52 1h1lC1 ALA 168 HA 0.02 0.05 0.67 -0.75 4.34 4.32 1h1lC1 ALA 168 HB3 0.01 -0.02 0.06 -0.04 1.41 1.41 1h1lC1 SER 169 H -0.01 0.77 0.03 -0.55 8.46 8.70 1h1lC1 SER 169 HA -0.02 0.02 0.55 -0.75 4.49 4.28 1h1lC1 SER 169 HB2 -0.05 0.06 0.12 -0.04 3.95 4.04 1h1lC1 SER 169 HB3 -0.05 -0.02 -0.05 -0.04 3.93 3.77 1h1lC1 SER 170 H 0.01 0.61 0.01 -0.55 8.46 8.54 1h1lC1 SER 170 HA -0.00 0.13 0.50 -0.75 4.49 4.37 1h1lC1 SER 170 HB2 0.06 -0.02 0.25 -0.04 3.95 4.20 1h1lC1 SER 170 HB3 0.07 0.05 0.15 -0.04 3.93 4.15 1h1lC1 LYS 171 H 0.02 0.33 -0.36 -0.55 8.42 7.85 1h1lC1 LYS 171 HA 0.01 0.05 0.40 -0.75 4.32 4.03 1h1lC1 ALA 172 H 0.00 0.26 -0.21 -0.55 8.40 7.90 1h1lC1 ALA 172 HA -0.00 0.03 0.36 -0.75 4.34 3.98 1h1lC1 ALA 172 HB3 -0.01 -0.02 0.12 -0.04 1.41 1.46 1h1lC1 LEU 173 H -0.01 0.63 -0.09 -0.55 8.37 8.36 1h1lC1 LEU 173 HA -0.02 0.06 0.51 -0.75 4.35 4.15 1h1lC1 LEU 173 HB2 -0.03 0.15 0.03 -0.04 1.64 1.75 1h1lC1 LEU 173 HB3 -0.03 -0.01 -0.27 -0.04 1.64 1.29 1h1lC1 LEU 173 HG -0.04 0.03 -0.05 -0.04 1.64 1.54 1h1lC1 LEU 173 HD13 -0.03 -0.00 -0.14 -0.04 0.93 0.71 1h1lC1 LEU 173 HD23 -0.07 -0.02 -0.17 -0.04 0.89 0.58 1h1lC1 ASP 174 H 0.00 0.38 -0.29 -0.55 8.40 7.93 1h1lC1 ASP 174 HA 0.01 0.04 0.29 -0.75 4.63 4.22 1h1lC1 ASP 174 HB2 0.00 0.01 -0.18 -0.04 2.71 2.51 1h1lC1 ASP 174 HB3 0.00 0.11 -0.04 -0.04 2.70 2.73 1h1lC1 LYS 175 H -0.00 0.27 -0.02 -0.55 8.42 8.11 1h1lC1 LYS 175 HA 0.01 0.15 0.76 -0.75 4.32 4.49 1h1lC1 LYS 175 HB2 -0.04 -0.15 -0.20 -0.04 1.87 1.44 1h1lC1 LYS 175 HB3 -0.02 0.18 -0.03 -0.04 1.79 1.88 1h1lC1 LYS 175 HG2 -0.01 0.03 -0.10 -0.04 1.46 1.35 1h1lC1 LYS 175 HG3 -0.01 0.14 -0.54 -0.04 1.46 1.01 1h1lC1 LYS 175 HD2 -0.05 -0.14 -0.18 -0.04 1.69 1.29 1h1lC1 LYS 175 HD3 -0.05 -0.06 -0.27 -0.04 1.68 1.26 1h1lC1 LYS 175 HE2 -0.01 0.02 0.01 -0.04 2.99 2.98 1h1lC1 LYS 175 HE3 -0.01 -0.01 -0.02 -0.04 2.99 2.91 1h1lC1 PRO 176 HA 0.07 0.04 0.53 -0.51 4.44 4.57 1h1lC1 PRO 176 HB2 0.02 -0.12 0.09 -0.04 2.28 2.23 1h1lC1 PRO 176 HB3 0.09 0.11 0.11 -0.04 2.02 2.28 1h1lC1 PRO 176 HG2 0.03 -0.01 0.12 -0.04 2.03 2.13 1h1lC1 PRO 176 HG3 0.05 0.07 0.11 -0.04 2.03 2.23 1h1lC1 PRO 176 HD2 0.00 0.35 0.39 -0.04 3.68 4.38 1h1lC1 PRO 176 HD3 0.02 0.19 0.27 -0.04 3.65 4.08 1h1lC1 VAL 177 H 0.06 0.26 0.14 -0.55 8.24 8.15 1h1lC1 VAL 177 HA -0.12 0.21 0.97 -0.75 4.13 4.44 1h1lC1 VAL 177 HB -0.04 0.07 0.27 -0.04 2.12 2.37 1h1lC1 VAL 177 HG13 -0.16 -0.05 -0.10 -0.04 0.97 0.62 1h1lC1 VAL 177 HG23 -0.06 0.03 -0.17 -0.04 0.95 0.71 1h1lC1 ILE 178 H -0.24 0.69 0.23 -0.55 8.25 8.38 1h1lC1 ILE 178 HA -0.76 0.24 0.90 -0.75 4.18 3.80 1h1lC1 ILE 178 HB -0.36 -0.15 0.16 -0.04 1.89 1.50 1h1lC1 ILE 178 HG12 -0.10 -0.05 -0.36 -0.04 1.49 0.94 1h1lC1 ILE 178 HG13 -0.10 -0.03 -0.13 -0.04 1.21 0.91 1h1lC1 ILE 178 HG23 -0.33 0.01 -0.19 -0.04 0.93 0.37 1h1lC1 ILE 178 HD13 0.12 0.02 -0.17 -0.04 0.88 0.81 1h1lC1 PRO 179 HA -0.38 0.06 0.51 -0.51 4.44 4.13 1h1lC1 PRO 179 HB2 -0.29 -0.08 -0.04 -0.04 2.28 1.83 1h1lC1 PRO 179 HB3 -0.33 0.07 -0.15 -0.04 2.02 1.57 1h1lC1 PRO 179 HG2 -0.85 0.02 0.13 -0.04 2.03 1.29 1h1lC1 PRO 179 HG3 -0.73 0.05 0.11 -0.04 2.03 1.42 1h1lC1 PRO 179 HD2 -3.09 0.15 0.23 -0.04 3.68 0.93 1h1lC1 PRO 179 HD3 -1.59 0.34 0.20 -0.04 3.65 2.56 1h1lC1 VAL 180 H -0.25 0.59 0.37 -0.55 8.24 8.40 1h1lC1 VAL 180 HA -0.17 0.24 0.71 -0.75 4.13 4.15 1h1lC1 VAL 180 HB -0.20 -0.06 0.26 -0.04 2.12 2.08 1h1lC1 VAL 180 HG13 -0.02 -0.04 -0.18 -0.04 0.97 0.70 1h1lC1 VAL 180 HG23 -0.54 0.05 -0.16 -0.04 0.95 0.26 1h1lC1 ARG 181 H -0.06 0.31 -0.04 -0.55 8.46 8.11 1h1lC1 ARG 181 HA -0.05 0.07 0.64 -0.75 4.34 4.24 1h1lC1 ARG 181 HB2 -0.03 0.08 0.18 -0.04 1.90 2.09 1h1lC1 ARG 181 HB3 -0.04 -0.01 0.14 -0.04 1.80 1.85 1h1lC1 ARG 181 HG2 -0.01 -0.03 -0.06 -0.04 1.67 1.53 1h1lC1 ARG 181 HG3 -0.04 -0.03 -0.15 -0.04 1.67 1.41 1h1lC1 ARG 181 HD2 0.02 0.02 -0.02 -0.04 3.22 3.20 1h1lC1 ARG 181 HD3 0.01 0.05 0.01 -0.04 3.22 3.26 1h1lC1 CYS 182 H -0.05 0.29 -0.15 -0.55 8.50 8.04 1h1lC1 CYS 182 HA -0.08 0.23 0.60 -0.75 4.58 4.57 1h1lC1 CYS 182 HB2 -0.03 -0.03 -0.02 -0.04 2.97 2.85 1h1lC1 CYS 182 HB3 -0.02 0.04 -0.05 -0.04 2.97 2.90 1h1lC1 GLU 183 H -0.17 0.13 -0.44 -0.55 8.60 7.57 1h1lC1 GLU 183 HA -0.14 0.10 0.12 -0.75 4.29 3.62 1h1lC1 GLU 183 HB2 -0.71 0.07 -0.03 -0.04 2.09 1.38 1h1lC1 GLU 183 HB3 -0.50 -0.08 -0.11 -0.04 1.99 1.27 1h1lC1 GLU 183 HG2 0.02 0.03 -0.07 -0.04 2.34 2.29 1h1lC1 GLU 183 HG3 -0.09 0.09 -0.44 -0.04 2.34 1.87 1h1lC1 GLY 184 H -0.12 0.02 0.24 -0.55 8.43 8.03 1h1lC1 GLY 184 HA2 -0.05 -0.22 0.17 -0.51 4.01 3.40 1h1lC1 GLY 184 HA3 -0.02 0.03 0.39 -0.51 4.01 3.90 1h1lC1 PHE 185 H -0.28 -0.02 -0.20 -0.55 8.34 7.30 1h1lC1 PHE 185 HA -0.01 0.17 0.61 -0.75 4.62 4.64 1h1lC1 PHE 185 HB2 -0.01 0.10 0.09 -0.04 3.15 3.29 1h1lC1 PHE 185 HB3 -0.01 -0.05 0.07 -0.04 3.06 3.02 1h1lC1 PHE 185 HD2 -0.02 -0.03 -0.13 -0.04 7.28 7.06 1h1lC1 PHE 185 HE2 -0.02 0.13 0.01 -0.04 7.38 7.47 1h1lC1 PHE 185 HZ -0.01 -0.03 -0.02 -0.04 7.32 7.22 1h1lC1 ARG 186 H -0.51 0.38 -0.18 -0.55 8.46 7.61 1h1lC1 ARG 186 HA -0.03 0.10 0.48 -0.75 4.34 4.13 1h1lC1 ARG 186 HB2 -0.20 -0.01 0.02 -0.04 1.90 1.66 1h1lC1 ARG 186 HB3 -0.12 -0.01 0.06 -0.04 1.80 1.70 1h1lC1 ARG 186 HG2 -0.26 0.03 -0.01 -0.04 1.67 1.39 1h1lC1 ARG 186 HG3 -0.78 -0.11 -0.01 -0.04 1.67 0.74 1h1lC1 ARG 186 HD2 -0.19 0.05 0.05 -0.04 3.22 3.09 1h1lC1 ARG 186 HD3 -0.12 0.03 0.04 -0.04 3.22 3.12 1h1lC1 GLY 187 H -0.01 0.13 0.17 -0.55 8.43 8.18 1h1lC1 GLY 187 HA2 -0.01 0.06 0.23 -0.51 4.01 3.78 1h1lC1 GLY 187 HA3 -0.03 -0.10 0.48 -0.51 4.01 3.85 1h1lC1 VAL 188 H -0.00 -0.10 0.21 -0.55 8.24 7.80 1h1lC1 VAL 188 HA 0.03 0.26 0.69 -0.75 4.13 4.36 1h1lC1 VAL 188 HB 0.06 0.04 0.01 -0.04 2.12 2.19 1h1lC1 VAL 188 HG13 0.04 -0.00 -0.21 -0.04 0.97 0.75 1h1lC1 VAL 188 HG23 0.05 -0.02 -0.29 -0.04 0.95 0.66 1h1lC1 SER 189 H -0.03 0.05 0.21 -0.55 8.46 8.15 1h1lC1 SER 189 HA -0.00 0.51 0.59 -0.75 4.49 4.83 1h1lC1 SER 189 HB2 0.02 -0.16 0.14 -0.04 3.95 3.91 1h1lC1 SER 189 HB3 0.10 0.32 -0.27 -0.04 3.93 4.04 1h1lC1 GLN 190 H -0.32 0.16 0.01 -0.55 8.47 7.78 1h1lC1 GLN 190 HA -0.27 0.26 0.21 -0.75 4.36 3.81 1h1lC1 GLN 190 HB2 -1.24 -0.01 -0.06 -0.04 2.15 0.80 1h1lC1 GLN 190 HB3 -0.57 0.03 -0.07 -0.04 2.02 1.37 1h1lC1 GLN 190 HG2 -0.14 0.08 -0.10 -0.04 2.40 2.21 1h1lC1 GLN 190 HG3 -0.15 0.01 -0.06 -0.04 2.39 2.15 1h1lC1 GLN 190 HE21 0.27 0.08 -0.01 -0.04 6.97 7.27 1h1lC1 GLN 190 HE22 0.13 0.07 -0.03 -0.04 7.69 7.82 1h1lC1 SER 191 H -0.44 0.12 -0.33 -0.55 8.46 7.26 1h1lC1 SER 191 HA -0.70 0.06 0.28 -0.75 4.49 3.37 1h1lC1 SER 191 HB2 0.09 0.09 0.05 -0.04 3.95 4.14 1h1lC1 SER 191 HB3 0.08 -0.01 0.03 -0.04 3.93 3.99 1h1lC1 LEU 192 H -0.11 0.15 -0.26 -0.55 8.37 7.60 1h1lC1 LEU 192 HA 0.00 0.11 0.35 -0.75 4.35 4.06 1h1lC1 LEU 192 HB2 -0.02 -0.04 0.09 -0.04 1.64 1.62 1h1lC1 LEU 192 HB3 -0.07 0.10 0.00 -0.04 1.64 1.64 1h1lC1 LEU 192 HG -0.08 -0.03 0.01 -0.04 1.64 1.51 1h1lC1 LEU 192 HD13 -0.05 0.02 0.03 -0.04 0.93 0.89 1h1lC1 LEU 192 HD23 -0.06 0.02 -0.11 -0.04 0.89 0.69 1h1lC1 GLY 193 H -0.19 0.24 -0.33 -0.55 8.43 7.61 1h1lC1 GLY 193 HA2 -0.06 0.02 0.31 -0.51 4.01 3.77 1h1lC1 GLY 193 HA3 -0.11 0.12 0.34 -0.51 4.01 3.85 1h1lC1 HIS 194 H -0.26 0.27 -0.25 -0.55 8.41 7.63 1h1lC1 HIS 194 HA -0.05 0.10 0.28 -0.75 4.63 4.21 1h1lC1 HIS 194 HB2 0.08 0.10 0.10 -0.04 3.26 3.51 1h1lC1 HIS 194 HB3 0.07 0.19 0.09 -0.04 3.20 3.50 1h1lC1 HIS 194 HD2 -0.12 0.31 0.03 -0.04 6.97 7.14 1h1lC1 HIS 194 HE1 0.06 -0.13 -0.15 -0.04 7.75 7.49 1h1lC1 HIS 195 H 0.05 0.37 -0.14 -0.55 8.41 8.14 1h1lC1 HIS 195 HA -0.63 0.03 0.60 -0.75 4.63 3.87 1h1lC1 HIS 195 HB2 -0.39 0.03 0.13 -0.04 3.26 2.99 1h1lC1 HIS 195 HB3 -0.24 0.04 0.10 -0.04 3.20 3.05 1h1lC1 HIS 195 HD2 -0.43 -0.08 0.05 -0.04 6.97 6.46 1h1lC1 HIS 195 HE1 -0.03 0.04 -0.01 -0.04 7.75 7.71 1h1lC1 ILE 196 H -0.02 0.63 -0.00 -0.55 8.25 8.31 1h1lC1 ILE 196 HA -0.04 0.04 0.47 -0.75 4.18 3.89 1h1lC1 ILE 196 HB -0.02 0.03 0.08 -0.04 1.89 1.94 1h1lC1 ILE 196 HG12 -0.08 -0.01 0.03 -0.04 1.49 1.40 1h1lC1 ILE 196 HG13 -0.09 0.07 0.09 -0.04 1.21 1.25 1h1lC1 ILE 196 HG23 -0.01 -0.00 -0.24 -0.04 0.93 0.64 1h1lC1 ILE 196 HD13 -0.08 0.01 -0.09 -0.04 0.88 0.68 1h1lC1 ALA 197 H 0.05 0.56 -0.22 -0.55 8.40 8.24 1h1lC1 ALA 197 HA 0.29 -0.01 0.38 -0.75 4.34 4.24 1h1lC1 ALA 197 HB3 -0.10 0.01 0.13 -0.04 1.41 1.41 1h1lC1 ASN 198 H 0.04 0.67 -0.04 -0.55 8.53 8.66 1h1lC1 ASN 198 HA 0.07 0.02 0.55 -0.75 4.76 4.65 1h1lC1 ASN 198 HB2 0.03 0.11 0.24 -0.04 2.88 3.22 1h1lC1 ASN 198 HB3 0.09 -0.08 0.05 -0.04 2.79 2.81 1h1lC1 ASN 198 HD21 0.08 0.13 0.18 -0.04 7.03 7.38 1h1lC1 ASN 198 HD22 0.06 0.15 0.19 -0.04 7.74 8.09 1h1lC1 ASP 199 H 0.06 0.57 -0.10 -0.55 8.40 8.38 1h1lC1 ASP 199 HA 0.02 0.02 0.37 -0.75 4.63 4.29 1h1lC1 ASP 199 HB2 0.03 0.09 0.17 -0.04 2.71 2.96 1h1lC1 ASP 199 HB3 0.03 -0.01 0.05 -0.04 2.70 2.73 1h1lC1 VAL 200 H 0.14 0.48 -0.14 -0.55 8.24 8.17 1h1lC1 VAL 200 HA 0.37 0.03 0.53 -0.75 4.13 4.31 1h1lC1 VAL 200 HB 0.30 0.11 0.14 -0.04 2.12 2.63 1h1lC1 VAL 200 HG13 -0.04 -0.01 -0.15 -0.04 0.97 0.73 1h1lC1 VAL 200 HG23 0.04 0.02 0.09 -0.04 0.95 1.06 1h1lC1 VAL 201 H 0.16 0.43 -0.27 -0.55 8.24 8.01 1h1lC1 VAL 201 HA 0.19 0.01 0.36 -0.75 4.13 3.94 1h1lC1 VAL 201 HB 0.14 0.08 0.23 -0.04 2.12 2.53 1h1lC1 VAL 201 HG13 0.12 -0.01 -0.06 -0.04 0.97 0.98 1h1lC1 VAL 201 HG23 -0.07 0.06 -0.00 -0.04 0.95 0.90 1h1lC1 ARG 202 H 0.07 0.64 0.02 -0.55 8.46 8.64 1h1lC1 ARG 202 HA -0.03 0.01 0.27 -0.75 4.34 3.83 1h1lC1 ARG 202 HB2 -0.22 -0.05 0.09 -0.04 1.90 1.67 1h1lC1 ARG 202 HB3 -0.09 0.09 0.19 -0.04 1.80 1.95 1h1lC1 ARG 202 HG2 -0.29 0.05 -0.12 -0.04 1.67 1.27 1h1lC1 ARG 202 HG3 -1.55 -0.00 0.01 -0.04 1.67 0.09 1h1lC1 ARG 202 HD2 -0.27 0.01 -0.02 -0.04 3.22 2.90 1h1lC1 ARG 202 HD3 -0.28 -0.08 -0.03 -0.04 3.22 2.80 1h1lC1 ASP 203 H 0.12 0.41 -0.27 -0.55 8.40 8.11 1h1lC1 ASP 203 HA -0.08 0.14 0.40 -0.75 4.63 4.33 1h1lC1 ASP 203 HB2 0.07 0.01 0.12 -0.04 2.71 2.87 1h1lC1 ASP 203 HB3 -0.30 -0.03 0.05 -0.04 2.70 2.37 1h1lC1 TRP 204 H 0.33 0.59 0.09 -0.55 7.97 8.44 1h1lC1 TRP 204 HA 0.01 0.19 0.76 -0.75 4.62 4.83 1h1lC1 TRP 204 HB2 0.03 0.13 0.05 -0.04 3.23 3.40 1h1lC1 TRP 204 HB3 -0.00 -0.04 0.04 -0.04 3.23 3.18 1h1lC1 TRP 204 HD1 0.01 0.06 0.16 -0.04 7.22 7.42 1h1lC1 TRP 204 HE1 -0.01 -0.08 0.03 -0.04 10.20 10.10 1h1lC1 TRP 204 HE3 -0.02 0.05 0.11 -0.04 7.59 7.69 1h1lC1 TRP 204 HZ2 -0.01 -0.10 0.04 -0.04 7.44 7.33 1h1lC1 TRP 204 HZ3 -0.02 0.04 0.05 -0.04 7.13 7.15 1h1lC1 TRP 204 HH2 -0.02 -0.05 0.08 -0.04 7.19 7.16 1h1lC1 ILE 205 H 0.17 0.34 0.07 -0.55 8.25 8.28 1h1lC1 ILE 205 HA 0.12 0.26 1.06 -0.75 4.18 4.87 1h1lC1 ILE 205 HB 0.11 0.01 0.14 -0.04 1.89 2.11 1h1lC1 ILE 205 HG12 0.10 0.05 -0.09 -0.04 1.49 1.50 1h1lC1 ILE 205 HG13 0.20 -0.03 -0.43 -0.04 1.21 0.90 1h1lC1 ILE 205 HG23 0.01 0.00 -0.31 -0.04 0.93 0.59 1h1lC1 ILE 205 HD13 0.14 -0.03 -0.11 -0.04 0.88 0.83 1h1lC1 LEU 206 H 0.12 0.51 0.13 -0.55 8.37 8.58 1h1lC1 LEU 206 HA 0.10 0.10 0.31 -0.75 4.35 4.10 1h1lC1 LEU 206 HB2 0.16 0.02 -0.06 -0.04 1.64 1.72 1h1lC1 LEU 206 HB3 0.15 0.10 -0.08 -0.04 1.64 1.76 1h1lC1 LEU 206 HG 0.09 0.06 -0.06 -0.04 1.64 1.69 1h1lC1 LEU 206 HD13 0.31 -0.00 -0.03 -0.04 0.93 1.18 1h1lC1 LEU 206 HD23 0.24 -0.03 -0.09 -0.04 0.89 0.97 1h1lC1 ASN 207 H 0.06 0.14 -0.34 -0.55 8.53 7.85 1h1lC1 ASN 207 HA 0.07 0.18 0.86 -0.75 4.76 5.11 1h1lC1 ASN 207 HB2 0.02 0.05 -0.09 -0.04 2.88 2.81 1h1lC1 ASN 207 HB3 0.04 -0.02 0.14 -0.04 2.79 2.91 1h1lC1 ASN 207 HD21 0.02 -0.01 0.02 -0.04 7.03 7.02 1h1lC1 ASN 207 HD22 -0.02 0.02 0.01 -0.04 7.74 7.70 1h1lC1 ASN 208 H 0.05 0.55 -0.31 -0.55 8.53 8.27 1h1lC1 ASN 208 HA 0.04 0.04 0.29 -0.75 4.76 4.37 1h1lC1 ASN 208 HB2 0.06 0.04 0.04 -0.04 2.88 2.98 1h1lC1 ASN 208 HB3 0.06 -0.02 0.01 -0.04 2.79 2.80 1h1lC1 ASN 208 HD21 0.09 0.11 0.18 -0.04 7.03 7.37 1h1lC1 ASN 208 HD22 0.06 -0.06 0.07 -0.04 7.74 7.77 1h1lC1 ARG 209 H 0.05 0.16 -0.39 -0.55 8.46 7.73 1h1lC1 ARG 209 HA 0.12 0.22 0.81 -0.75 4.34 4.73 1h1lC1 ARG 209 HB2 0.15 0.23 -0.02 -0.04 1.90 2.22 1h1lC1 ARG 209 HB3 0.35 -0.03 0.05 -0.04 1.80 2.13 1h1lC1 ARG 209 HG2 0.13 0.04 -0.02 -0.04 1.67 1.77 1h1lC1 ARG 209 HG3 0.10 -0.08 -0.31 -0.04 1.67 1.34 1h1lC1 ARG 209 HD2 0.15 -0.03 -0.28 -0.04 3.22 3.03 1h1lC1 ARG 209 HD3 0.20 0.01 -0.10 -0.04 3.22 3.29 1h1lC1 GLU 210 H 0.07 0.35 -0.20 -0.55 8.60 8.27 1h1lC1 GLU 210 HA 0.11 -0.01 0.41 -0.75 4.29 4.05 1h1lC1 GLY 211 H 0.20 0.14 0.20 -0.55 8.43 8.43 1h1lC1 GLY 211 HA2 0.12 -0.04 0.31 -0.51 4.01 3.89 1h1lC1 GLY 211 HA3 0.09 0.03 0.35 -0.51 4.01 3.97 1h1lC1 GLN 212 H 0.22 0.53 -0.22 -0.55 8.47 8.46 1h1lC1 GLN 212 HA 0.07 0.04 0.56 -0.75 4.36 4.28 1h1lC1 GLN 212 HB2 0.16 0.16 0.02 -0.04 2.15 2.44 1h1lC1 GLN 212 HB3 0.13 -0.00 -0.00 -0.04 2.02 2.10 1h1lC1 GLN 212 HG2 0.06 -0.02 0.10 -0.04 2.40 2.49 1h1lC1 GLN 212 HG3 0.08 -0.03 0.01 -0.04 2.39 2.41 1h1lC1 GLN 212 HE21 0.09 -0.06 0.01 -0.04 6.97 6.96 1h1lC1 GLN 212 HE22 0.08 0.03 0.03 -0.04 7.69 7.78 1h1lC1 PRO 213 HA -0.04 0.05 0.51 -0.51 4.44 4.45 1h1lC1 PRO 213 HB2 -0.04 -0.03 0.07 -0.04 2.28 2.25 1h1lC1 PRO 213 HB3 -0.02 0.00 0.10 -0.04 2.02 2.06 1h1lC1 PRO 213 HG2 0.00 -0.01 0.10 -0.04 2.03 2.08 1h1lC1 PRO 213 HG3 0.01 0.05 0.10 -0.04 2.03 2.14 1h1lC1 PRO 213 HD2 0.02 0.07 0.21 -0.04 3.68 3.95 1h1lC1 PRO 213 HD3 0.03 0.16 0.26 -0.04 3.65 4.05 1h1lC1 PHE 214 H -0.12 0.23 0.13 -0.55 8.34 8.03 1h1lC1 PHE 214 HA -0.22 0.05 0.20 -0.75 4.62 3.90 1h1lC1 PHE 214 HB2 -0.94 0.12 -0.03 -0.04 3.15 2.26 1h1lC1 PHE 214 HB3 -1.14 0.01 0.04 -0.04 3.06 1.93 1h1lC1 PHE 214 HD2 -0.15 -0.01 -0.17 -0.04 7.28 6.90 1h1lC1 PHE 214 HE2 0.05 -0.08 -0.08 -0.04 7.38 7.24 1h1lC1 PHE 214 HZ 0.07 -0.09 -0.05 -0.04 7.32 7.21 1h1lC1 GLU 215 H -0.63 0.12 0.00 -0.55 8.60 7.55 1h1lC1 GLU 215 HA -0.21 0.03 0.49 -0.75 4.29 3.84 1h1lC1 THR 216 H -0.07 0.11 0.29 -0.55 8.28 8.06 1h1lC1 THR 216 HA 0.12 0.14 0.76 -0.75 4.39 4.65 1h1lC1 THR 216 HB 0.14 0.06 0.21 -0.04 4.32 4.68 1h1lC1 THR 216 HG23 0.26 0.08 0.04 -0.04 1.22 1.56 1h1lC1 THR 217 H 0.08 0.29 0.24 -0.55 8.28 8.35 1h1lC1 THR 217 HA -0.04 0.17 0.55 -0.75 4.39 4.32 1h1lC1 THR 217 HB 0.05 -0.02 -0.01 -0.04 4.32 4.31 1h1lC1 THR 217 HG23 0.01 -0.17 -0.18 -0.04 1.22 0.84 1h1lC1 PRO 218 HA -0.05 0.20 0.36 -0.51 4.44 4.44 1h1lC1 PRO 218 HB2 -0.40 0.04 0.04 -0.04 2.28 1.92 1h1lC1 PRO 218 HB3 -0.16 0.05 0.08 -0.04 2.02 1.95 1h1lC1 PRO 218 HG2 -0.96 0.03 0.01 -0.04 2.03 1.07 1h1lC1 PRO 218 HG3 -0.28 0.04 0.05 -0.04 2.03 1.80 1h1lC1 PRO 218 HD2 -0.21 0.10 0.18 -0.04 3.68 3.71 1h1lC1 PRO 218 HD3 -0.13 0.16 0.15 -0.04 3.65 3.79 1h1lC1 TYR 219 H -0.10 0.05 -0.35 -0.55 8.29 7.34 1h1lC1 TYR 219 HA -0.33 0.27 0.91 -0.75 4.56 4.66 1h1lC1 TYR 219 HB2 -0.13 -0.01 0.07 -0.04 3.06 2.95 1h1lC1 TYR 219 HB3 -0.37 -0.05 0.18 -0.04 2.98 2.71 1h1lC1 TYR 219 HD2 -0.28 0.08 0.01 -0.04 7.15 6.92 1h1lC1 TYR 219 HE2 0.02 -0.05 -0.01 -0.04 6.85 6.77 1h1lC1 ASP 220 H 0.11 0.28 -0.15 -0.55 8.40 8.09 1h1lC1 ASP 220 HA 0.11 0.17 0.86 -0.75 4.63 5.01 1h1lC1 ASP 220 HB2 0.14 0.08 0.16 -0.04 2.71 3.05 1h1lC1 ASP 220 HB3 0.15 0.01 -0.15 -0.04 2.70 2.67 1h1lC1 VAL 221 H 0.09 0.39 0.43 -0.55 8.24 8.60 1h1lC1 VAL 221 HA 0.09 0.30 0.87 -0.75 4.13 4.64 1h1lC1 VAL 221 HB 0.05 0.00 -0.01 -0.04 2.12 2.12 1h1lC1 VAL 221 HG13 0.19 0.02 -0.35 -0.04 0.97 0.79 1h1lC1 VAL 221 HG23 0.02 0.01 -0.15 -0.04 0.95 0.79 1h1lC1 ALA 222 H -0.00 0.49 0.35 -0.55 8.40 8.69 1h1lC1 ALA 222 HA 0.04 0.17 0.95 -0.75 4.34 4.75 1h1lC1 ALA 222 HB3 -0.13 0.01 0.02 -0.04 1.41 1.27 1h1lC1 ILE 223 H 0.06 0.75 0.41 -0.55 8.25 8.93 1h1lC1 ILE 223 HA -0.00 0.18 0.95 -0.75 4.18 4.56 1h1lC1 ILE 223 HB 0.06 -0.03 0.23 -0.04 1.89 2.11 1h1lC1 ILE 223 HG12 -0.04 0.01 -0.03 -0.04 1.49 1.39 1h1lC1 ILE 223 HG13 0.01 0.07 -0.08 -0.04 1.21 1.16 1h1lC1 ILE 223 HG23 0.04 -0.05 -0.26 -0.04 0.93 0.63 1h1lC1 ILE 223 HD13 0.05 -0.02 -0.07 -0.04 0.88 0.79 1h1lC1 ILE 224 H 0.01 0.91 0.26 -0.55 8.25 8.89 1h1lC1 ILE 224 HA -0.06 0.09 0.89 -0.75 4.18 4.34 1h1lC1 ILE 224 HB -0.15 0.05 0.01 -0.04 1.89 1.76 1h1lC1 ILE 224 HG12 -0.26 0.03 -0.40 -0.04 1.49 0.82 1h1lC1 ILE 224 HG13 -0.39 0.04 -0.21 -0.04 1.21 0.61 1h1lC1 ILE 224 HG23 -0.31 -0.02 -0.14 -0.04 0.93 0.41 1h1lC1 ILE 224 HD13 -1.13 0.03 -0.23 -0.04 0.88 -0.49 1h1lC1 GLY 225 H -0.05 0.46 0.24 -0.55 8.43 8.54 1h1lC1 GLY 225 HA2 -0.31 0.05 0.35 -0.51 4.01 3.58 1h1lC1 GLY 225 HA3 -0.10 -0.03 0.52 -0.51 4.01 3.89 1h1lC1 ASP 226 H -0.33 0.66 0.06 -0.55 8.40 8.25 1h1lC1 ASP 226 HA -0.10 0.15 0.80 -0.75 4.63 4.72 1h1lC1 ASP 226 HB2 -0.09 0.09 -0.07 -0.04 2.71 2.60 1h1lC1 ASP 226 HB3 -0.08 0.08 0.02 -0.04 2.70 2.68 1h1lC1 TYR 227 H 0.03 0.16 0.03 -0.55 8.29 7.97 1h1lC1 TYR 227 HA -0.05 0.13 0.63 -0.75 4.56 4.52 1h1lC1 TYR 227 HB2 -0.06 -0.05 0.06 -0.04 3.06 2.97 1h1lC1 TYR 227 HB3 -0.06 0.17 0.12 -0.04 2.98 3.17 1h1lC1 TYR 227 HD2 -0.04 0.05 -0.04 -0.04 7.15 7.08 1h1lC1 TYR 227 HE2 -0.09 0.04 -0.06 -0.04 6.85 6.71 1h1lC1 ASN 228 H -0.11 0.04 -0.37 -0.55 8.53 7.55 1h1lC1 ASN 228 HA -0.25 -0.40 0.20 -0.75 4.76 3.56 1h1lC1 ASN 228 HB2 -0.27 0.04 -0.18 -0.04 2.88 2.43 1h1lC1 ASN 228 HB3 -0.25 0.30 0.15 -0.04 2.79 2.95 1h1lC1 ASN 228 HD21 -3.41 0.01 -0.11 -0.04 7.03 3.48 1h1lC1 ASN 228 HD22 -0.89 0.73 -0.02 -0.04 7.74 7.52 1h1lC1 ILE 229 H -0.12 -0.03 -0.19 -0.55 8.25 7.36 1h1lC1 ILE 229 HA -0.23 0.47 0.39 -0.75 4.18 4.05 1h1lC1 ILE 229 HB -0.29 -0.09 0.10 -0.04 1.89 1.57 1h1lC1 ILE 229 HG12 -0.06 -0.24 -0.11 -0.04 1.49 1.03 1h1lC1 ILE 229 HG13 -0.22 0.03 -0.01 -0.04 1.21 0.97 1h1lC1 ILE 229 HG23 -0.58 0.09 -0.04 -0.04 0.93 0.36 1h1lC1 ILE 229 HD13 -0.09 0.04 -0.23 -0.04 0.88 0.55 1h1lC1 GLY 230 H -0.61 0.53 0.41 -0.55 8.43 8.21 1h1lC1 GLY 230 HA2 -1.08 0.13 0.32 -0.51 4.01 2.87 1h1lC1 GLY 230 HA3 -0.16 0.16 0.37 -0.51 4.01 3.87 1h1lC1 GLY 231 H -0.41 0.52 -0.30 -0.55 8.43 7.69 1h1lC1 GLY 231 HA2 -0.47 -0.00 0.18 -0.51 4.01 3.21 1h1lC1 GLY 231 HA3 0.17 0.27 0.65 -0.51 4.01 4.59 1h1lC1 ASP 232 H -0.18 0.31 -0.52 -0.55 8.40 7.46 1h1lC1 ASP 232 HA -0.10 0.11 0.01 -0.75 4.63 3.89 1h1lC1 ASP 232 HB2 -0.31 -0.21 0.01 -0.04 2.71 2.16 1h1lC1 ASP 232 HB3 -0.97 0.00 -0.14 -0.04 2.70 1.55 1h1lC1 ALA 233 H -0.23 0.03 -0.24 -0.55 8.40 7.41 1h1lC1 ALA 233 HA 0.02 0.10 0.59 -0.75 4.34 4.30 1h1lC1 ALA 233 HB3 -0.14 0.02 -0.01 -0.04 1.41 1.23 1h1lC1 TRP 234 H -0.08 0.18 -0.25 -0.55 7.97 7.27 1h1lC1 TRP 234 HA 0.07 0.11 0.34 -0.75 4.62 4.38 1h1lC1 TRP 234 HB2 0.07 0.14 0.10 -0.04 3.23 3.50 1h1lC1 TRP 234 HB3 0.07 0.05 0.02 -0.04 3.23 3.33 1h1lC1 TRP 234 HD1 0.07 -0.00 -0.12 -0.04 7.22 7.12 1h1lC1 TRP 234 HE1 0.08 0.09 -0.06 -0.04 10.20 10.27 1h1lC1 TRP 234 HE3 0.12 0.05 0.00 -0.04 7.59 7.72 1h1lC1 TRP 234 HZ2 0.10 -0.07 -0.10 -0.04 7.44 7.33 1h1lC1 TRP 234 HZ3 0.17 0.06 -0.09 -0.04 7.13 7.22 1h1lC1 TRP 234 HH2 0.02 0.08 -0.37 -0.04 7.19 6.88 1h1lC1 ALA 235 H 0.19 0.41 -0.20 -0.55 8.40 8.25 1h1lC1 ALA 235 HA 0.14 0.09 0.41 -0.75 4.34 4.22 1h1lC1 ALA 235 HB3 0.09 0.00 -0.05 -0.04 1.41 1.41 1h1lC1 SER 236 H 0.16 0.19 -0.61 -0.55 8.46 7.66 1h1lC1 SER 236 HA 0.37 0.07 0.71 -0.75 4.49 4.88 1h1lC1 SER 236 HB2 0.13 0.10 0.17 -0.04 3.95 4.31 1h1lC1 SER 236 HB3 0.14 -0.01 0.02 -0.04 3.93 4.04 1h1lC1 ARG 237 H 0.17 0.54 0.01 -0.55 8.46 8.64 1h1lC1 ARG 237 HA 0.11 -0.00 0.05 -0.75 4.34 3.74 1h1lC1 ARG 237 HB2 0.15 -0.02 0.05 -0.04 1.90 2.04 1h1lC1 ARG 237 HB3 0.22 0.05 0.16 -0.04 1.80 2.19 1h1lC1 ARG 237 HG2 0.11 -0.01 -0.15 -0.04 1.67 1.59 1h1lC1 ARG 237 HG3 0.11 -0.02 -0.02 -0.04 1.67 1.70 1h1lC1 ARG 237 HD2 0.24 -0.03 -0.08 -0.04 3.22 3.32 1h1lC1 ARG 237 HD3 0.18 0.00 -0.06 -0.04 3.22 3.30 1h1lC1 ILE 238 H 0.14 0.33 -0.25 -0.55 8.25 7.92 1h1lC1 ILE 238 HA 0.08 0.08 0.25 -0.75 4.18 3.84 1h1lC1 ILE 238 HB 0.11 0.12 0.12 -0.04 1.89 2.20 1h1lC1 ILE 238 HG12 0.09 0.00 0.01 -0.04 1.49 1.55 1h1lC1 ILE 238 HG13 0.07 0.01 0.05 -0.04 1.21 1.30 1h1lC1 ILE 238 HG23 0.09 -0.01 -0.02 -0.04 0.93 0.95 1h1lC1 ILE 238 HD13 0.08 -0.00 -0.01 -0.04 0.88 0.91 1h1lC1 LEU 239 H 0.07 0.22 -0.40 -0.55 8.37 7.72 1h1lC1 LEU 239 HA 0.04 0.08 0.20 -0.75 4.35 3.91 1h1lC1 LEU 239 HB2 0.01 0.10 0.07 -0.04 1.64 1.78 1h1lC1 LEU 239 HB3 -0.10 0.02 -0.06 -0.04 1.64 1.46 1h1lC1 LEU 239 HG -0.19 0.12 0.08 -0.04 1.64 1.61 1h1lC1 LEU 239 HD13 -0.91 -0.06 0.04 -0.04 0.93 -0.04 1h1lC1 LEU 239 HD23 -0.20 -0.02 -0.02 -0.04 0.89 0.61 1h1lC1 LEU 240 H 0.12 0.35 -0.09 -0.55 8.37 8.21 1h1lC1 LEU 240 HA 0.03 0.05 0.50 -0.75 4.35 4.18 1h1lC1 LEU 240 HB2 0.03 0.05 0.01 -0.04 1.64 1.70 1h1lC1 LEU 240 HB3 -0.01 0.01 -0.03 -0.04 1.64 1.57 1h1lC1 LEU 240 HG 0.15 0.03 -0.03 -0.04 1.64 1.74 1h1lC1 LEU 240 HD13 -0.15 -0.02 -0.16 -0.04 0.93 0.56 1h1lC1 LEU 240 HD23 -0.07 0.00 -0.10 -0.04 0.89 0.69 1h1lC1 GLU 241 H 0.05 0.54 -0.21 -0.55 8.60 8.43 1h1lC1 GLU 241 HA -0.00 0.28 0.23 -0.75 4.29 4.05 1h1lC1 GLU 241 HB2 0.04 0.02 0.08 -0.04 2.09 2.18 1h1lC1 GLU 241 HB3 0.02 0.02 0.10 -0.04 1.99 2.09 1h1lC1 GLU 241 HG2 0.05 -0.11 -0.01 -0.04 2.34 2.23 1h1lC1 GLU 241 HG3 0.06 0.00 -0.03 -0.04 2.34 2.33 1h1lC1 GLU 242 H 0.04 0.31 -0.15 -0.55 8.60 8.25 1h1lC1 GLU 242 HA 0.03 0.03 0.24 -0.75 4.29 3.84 1h1lC1 GLU 242 HB2 0.08 0.00 0.19 -0.04 2.09 2.32 1h1lC1 GLU 242 HB3 0.09 -0.05 0.06 -0.04 1.99 2.05 1h1lC1 GLU 242 HG2 0.07 -0.02 0.05 -0.04 2.34 2.39 1h1lC1 GLU 242 HG3 0.08 0.08 0.05 -0.04 2.34 2.50 1h1lC1 MET 243 H -0.00 0.34 -0.40 -0.55 8.47 7.86 1h1lC1 MET 243 HA -0.02 0.11 0.66 -0.75 4.52 4.51 1h1lC1 MET 243 HB2 0.00 0.09 0.05 -0.04 2.15 2.26 1h1lC1 MET 243 HB3 -0.06 0.00 -0.06 -0.04 2.03 1.87 1h1lC1 MET 243 HG2 -0.04 0.01 -0.03 -0.04 2.63 2.53 1h1lC1 MET 243 HG3 0.00 0.02 -0.24 -0.04 2.56 2.31 1h1lC1 MET 243 HE3 -0.00 0.00 -0.08 -0.04 2.10 1.98 1h1lC1 GLY 244 H -0.07 0.34 -0.17 -0.55 8.43 7.99 1h1lC1 GLY 244 HA2 -0.10 0.04 0.19 -0.51 4.01 3.63 1h1lC1 GLY 244 HA3 -0.23 0.05 0.47 -0.51 4.01 3.79 1h1lC1 LEU 245 H -0.12 0.29 0.02 -0.55 8.37 8.02 1h1lC1 LEU 245 HA -0.15 0.16 0.70 -0.75 4.35 4.31 1h1lC1 LEU 245 HB2 -0.08 -0.02 -0.12 -0.04 1.64 1.39 1h1lC1 LEU 245 HB3 -0.09 0.06 -0.08 -0.04 1.64 1.48 1h1lC1 LEU 245 HG -0.24 -0.01 -0.18 -0.04 1.64 1.16 1h1lC1 LEU 245 HD13 -0.06 -0.02 -0.13 -0.04 0.93 0.67 1h1lC1 LEU 245 HD23 -0.79 0.03 -0.09 -0.04 0.89 0.00 1h1lC1 ARG 246 H 0.02 0.64 0.13 -0.55 8.46 8.70 1h1lC1 ARG 246 HA 0.04 0.16 0.86 -0.75 4.34 4.65 1h1lC1 ARG 246 HB2 0.06 0.03 -0.08 -0.04 1.90 1.88 1h1lC1 ARG 246 HB3 0.08 -0.06 0.05 -0.04 1.80 1.83 1h1lC1 ARG 246 HG2 0.09 -0.02 -0.29 -0.04 1.67 1.42 1h1lC1 ARG 246 HG3 0.06 0.01 -0.02 -0.04 1.67 1.68 1h1lC1 ARG 246 HD2 0.07 0.02 -0.08 -0.04 3.22 3.19 1h1lC1 ARG 246 HD3 0.05 -0.00 -0.07 -0.04 3.22 3.15 1h1lC1 VAL 247 H 0.06 0.21 -0.08 -0.55 8.24 7.87 1h1lC1 VAL 247 HA 0.07 0.18 0.72 -0.75 4.13 4.34 1h1lC1 VAL 247 HB 0.08 0.00 0.08 -0.04 2.12 2.25 1h1lC1 VAL 247 HG13 0.08 -0.03 -0.17 -0.04 0.97 0.82 1h1lC1 VAL 247 HG23 0.04 0.00 -0.18 -0.04 0.95 0.77 1h1lC1 VAL 248 H 0.11 0.43 0.05 -0.55 8.24 8.27 1h1lC1 VAL 248 HA 0.16 0.06 0.58 -0.75 4.13 4.18 1h1lC1 VAL 248 HB 0.12 0.09 0.06 -0.04 2.12 2.36 1h1lC1 VAL 248 HG13 0.13 0.01 -0.19 -0.04 0.97 0.88 1h1lC1 VAL 248 HG23 0.25 0.00 -0.05 -0.04 0.95 1.11 1h1lC1 ALA 249 H 0.12 0.28 0.11 -0.55 8.40 8.35 1h1lC1 ALA 249 HA 0.16 0.14 0.60 -0.75 4.34 4.49 1h1lC1 ALA 249 HB3 0.26 0.03 -0.21 -0.04 1.41 1.45 1h1lC1 GLN 250 H 0.18 0.24 0.10 -0.55 8.47 8.44 1h1lC1 GLN 250 HA 0.17 0.14 1.01 -0.75 4.36 4.93 1h1lC1 GLN 250 HB2 0.08 0.13 -0.09 -0.04 2.15 2.23 1h1lC1 GLN 250 HB3 0.07 -0.09 -0.05 -0.04 2.02 1.91 1h1lC1 GLN 250 HG2 0.13 -0.01 -0.25 -0.04 2.40 2.22 1h1lC1 GLN 250 HG3 0.15 0.06 -0.10 -0.04 2.39 2.46 1h1lC1 GLN 250 HE21 0.02 -0.20 -0.22 -0.04 6.97 6.53 1h1lC1 GLN 250 HE22 0.05 0.49 -0.11 -0.04 7.69 8.07 1h1lC1 TRP 251 H 0.31 0.76 0.31 -0.55 7.97 8.80 1h1lC1 TRP 251 HA -0.07 0.19 0.78 -0.75 4.62 4.76 1h1lC1 TRP 251 HB2 -0.12 -0.06 0.40 -0.04 3.23 3.41 1h1lC1 TRP 251 HB3 -0.13 -0.06 0.00 -0.04 3.23 3.00 1h1lC1 TRP 251 HD1 -0.04 -0.13 -0.52 -0.04 7.22 6.49 1h1lC1 TRP 251 HE1 -0.04 0.13 -0.23 -0.04 10.20 10.02 1h1lC1 TRP 251 HE3 -0.10 -0.11 -0.05 -0.04 7.59 7.29 1h1lC1 TRP 251 HZ2 -0.06 0.24 0.03 -0.04 7.44 7.62 1h1lC1 TRP 251 HZ3 -0.07 -0.05 -0.03 -0.04 7.13 6.94 1h1lC1 TRP 251 HH2 -0.04 0.04 -0.06 -0.04 7.19 7.09 1h1lC1 SER 252 H -0.28 0.03 0.03 -0.55 8.46 7.69 1h1lC1 SER 252 HA -0.10 0.24 0.36 -0.75 4.49 4.24 1h1lC1 SER 252 HB2 -0.10 0.02 0.10 -0.04 3.95 3.92 1h1lC1 SER 252 HB3 -0.17 -0.03 0.09 -0.04 3.93 3.78 1h1lC1 GLY 253 H -0.12 0.30 -0.08 -0.55 8.43 7.98 1h1lC1 GLY 253 HA2 0.01 0.16 0.21 -0.51 4.01 3.88 1h1lC1 GLY 253 HA3 -0.09 -0.21 -0.07 -0.51 4.01 3.14 1h1lC1 ASP 254 H 0.05 0.29 0.22 -0.55 8.40 8.40 1h1lC1 ASP 254 HA 0.19 0.04 0.43 -0.75 4.63 4.54 1h1lC1 ASP 254 HB2 -0.04 0.09 -0.06 -0.04 2.71 2.67 1h1lC1 ASP 254 HB3 0.14 0.06 -0.22 -0.04 2.70 2.65 1h1lC1 GLY 255 H 0.02 0.42 -0.25 -0.55 8.43 8.07 1h1lC1 GLY 255 HA2 0.04 0.04 0.36 -0.51 4.01 3.94 1h1lC1 GLY 255 HA3 -0.05 0.06 0.26 -0.51 4.01 3.78 1h1lC1 THR 256 H -0.01 0.16 0.25 -0.55 8.28 8.13 1h1lC1 THR 256 HA 0.01 0.12 0.83 -0.75 4.39 4.60 1h1lC1 THR 256 HB 0.04 -0.08 0.15 -0.04 4.32 4.39 1h1lC1 THR 256 HG23 0.06 0.06 -0.02 -0.04 1.22 1.29 1h1lC1 LEU 257 H 0.01 0.21 0.08 -0.55 8.37 8.12 1h1lC1 LEU 257 HA -0.06 0.07 0.35 -0.75 4.35 3.95 1h1lC1 LEU 257 HB2 0.00 -0.00 -0.02 -0.04 1.64 1.58 1h1lC1 LEU 257 HB3 0.02 0.02 0.08 -0.04 1.64 1.71 1h1lC1 LEU 257 HG 0.02 0.02 -0.20 -0.04 1.64 1.44 1h1lC1 LEU 257 HD13 0.01 -0.01 -0.02 -0.04 0.93 0.87 1h1lC1 LEU 257 HD23 0.01 0.01 -0.11 -0.04 0.89 0.77 1h1lC1 VAL 258 H 0.03 0.06 -0.14 -0.55 8.24 7.63 1h1lC1 VAL 258 HA 0.05 0.16 0.25 -0.75 4.13 3.84 1h1lC1 VAL 258 HB 0.06 -0.07 0.11 -0.04 2.12 2.19 1h1lC1 VAL 258 HG13 0.10 0.04 -0.09 -0.04 0.97 0.98 1h1lC1 VAL 258 HG23 0.06 0.02 0.05 -0.04 0.95 1.03 1h1lC1 GLU 259 H 0.04 -0.00 -0.22 -0.55 8.60 7.87 1h1lC1 GLU 259 HA 0.11 0.18 0.27 -0.75 4.29 4.09 1h1lC1 GLU 259 HB2 0.02 -0.07 0.19 -0.04 2.09 2.19 1h1lC1 GLU 259 HB3 0.13 -0.08 0.10 -0.04 1.99 2.09 1h1lC1 GLU 259 HG2 0.12 0.32 0.15 -0.04 2.34 2.89 1h1lC1 GLU 259 HG3 0.09 -0.08 0.09 -0.04 2.34 2.40 1h1lC1 MET 260 H -0.09 0.35 -0.20 -0.55 8.47 7.99 1h1lC1 MET 260 HA 0.25 -0.02 0.34 -0.75 4.52 4.35 1h1lC1 MET 260 HB2 -0.18 0.16 0.07 -0.04 2.15 2.16 1h1lC1 MET 260 HB3 -0.48 -0.06 0.01 -0.04 2.03 1.45 1h1lC1 MET 260 HG2 -1.36 -0.10 -0.03 -0.04 2.63 1.10 1h1lC1 MET 260 HG3 -0.39 0.34 0.08 -0.04 2.56 2.55 1h1lC1 MET 260 HE3 -1.15 -0.02 -0.06 -0.04 2.10 0.83 1h1lC1 GLU 261 H 0.03 0.44 -0.23 -0.55 8.60 8.29 1h1lC1 GLU 261 HA 0.04 0.07 0.22 -0.75 4.29 3.86 1h1lC1 GLU 261 HB2 0.06 0.07 0.10 -0.04 2.09 2.28 1h1lC1 GLU 261 HB3 0.07 -0.04 0.01 -0.04 1.99 1.99 1h1lC1 GLU 261 HG2 0.05 0.13 0.02 -0.04 2.34 2.50 1h1lC1 GLU 261 HG3 0.03 -0.09 -0.05 -0.04 2.34 2.19 1h1lC1 ASN 262 H 0.06 0.28 -0.38 -0.55 8.53 7.95 1h1lC1 ASN 262 HA 0.13 0.12 0.36 -0.75 4.76 4.63 1h1lC1 ASN 262 HB2 0.04 0.06 0.03 -0.04 2.88 2.97 1h1lC1 ASN 262 HB3 -0.26 -0.07 0.02 -0.04 2.79 2.43 1h1lC1 ASN 262 HD21 0.25 -0.05 -0.06 -0.04 7.03 7.13 1h1lC1 ASN 262 HD22 0.18 -0.03 -0.11 -0.04 7.74 7.73 1h1lC1 THR 263 H 0.06 0.33 -0.43 -0.55 8.28 7.70 1h1lC1 THR 263 HA -0.01 -0.04 0.07 -0.75 4.39 3.65 1h1lC1 THR 263 HB 0.21 0.19 0.07 -0.04 4.32 4.76 1h1lC1 THR 263 HG23 -0.33 -0.05 -0.20 -0.04 1.22 0.60 1h1lC1 PRO 264 HA -0.48 0.02 0.49 -0.51 4.44 3.97 1h1lC1 PRO 264 HB2 -0.92 0.06 -0.05 -0.04 2.28 1.33 1h1lC1 PRO 264 HB3 -1.20 -0.02 0.10 -0.04 2.02 0.85 1h1lC1 PRO 264 HG2 -0.35 0.27 0.09 -0.04 2.03 2.00 1h1lC1 PRO 264 HG3 -0.45 -0.11 0.04 -0.04 2.03 1.47 1h1lC1 PRO 264 HD2 -0.39 0.29 -0.32 -0.04 3.68 3.21 1h1lC1 PRO 264 HD3 -0.10 0.10 0.05 -0.04 3.65 3.66 1h1lC1 PHE 265 H -0.45 0.50 -0.42 -0.55 8.34 7.42 1h1lC1 PHE 265 HA -0.06 0.15 0.65 -0.75 4.62 4.62 1h1lC1 PHE 265 HB2 -0.58 0.05 -0.02 -0.04 3.15 2.57 1h1lC1 PHE 265 HB3 -0.00 -0.08 0.07 -0.04 3.06 3.01 1h1lC1 PHE 265 HD2 -0.40 0.05 0.01 -0.04 7.28 6.90 1h1lC1 PHE 265 HE2 -0.05 -0.06 -0.06 -0.04 7.38 7.17 1h1lC1 PHE 265 HZ 0.01 0.18 -0.11 -0.04 7.32 7.37 1h1lC1 VAL 266 H -0.04 0.41 -0.16 -0.55 8.24 7.90 1h1lC1 VAL 266 HA 0.12 0.04 0.55 -0.75 4.13 4.09 1h1lC1 VAL 266 HB 0.08 0.06 -0.02 -0.04 2.12 2.19 1h1lC1 VAL 266 HG13 0.04 -0.00 -0.17 -0.04 0.97 0.80 1h1lC1 VAL 266 HG23 -0.03 0.04 -0.15 -0.04 0.95 0.77 1h1lC1 LYS 267 H 0.13 0.57 0.27 -0.55 8.42 8.83 1h1lC1 LYS 267 HA 0.07 0.17 0.78 -0.75 4.32 4.58 1h1lC1 LYS 267 HB2 0.28 0.04 -0.01 -0.04 1.87 2.14 1h1lC1 LYS 267 HB3 0.12 -0.01 0.14 -0.04 1.79 2.00 1h1lC1 LYS 267 HG2 0.13 -0.05 0.06 -0.04 1.46 1.56 1h1lC1 LYS 267 HG3 0.17 -0.09 0.02 -0.04 1.46 1.52 1h1lC1 LYS 267 HD2 0.07 -0.01 0.10 -0.04 1.69 1.81 1h1lC1 LYS 267 HD3 0.08 0.12 -0.01 -0.04 1.68 1.82 1h1lC1 LYS 267 HE2 0.05 -0.13 0.03 -0.04 2.99 2.89 1h1lC1 LYS 267 HE3 0.05 -0.04 0.01 -0.04 2.99 2.97 1h1lC1 LEU 268 H 0.07 0.13 0.09 -0.55 8.37 8.12 1h1lC1 LEU 268 HA 0.03 0.28 0.45 -0.75 4.35 4.36 1h1lC1 LEU 268 HB2 -0.00 0.26 -0.19 -0.04 1.64 1.66 1h1lC1 LEU 268 HB3 0.20 -0.11 -0.20 -0.04 1.64 1.49 1h1lC1 LEU 268 HG 0.05 -0.11 -0.49 -0.04 1.64 1.04 1h1lC1 LEU 268 HD13 -0.04 0.02 -0.18 -0.04 0.93 0.69 1h1lC1 LEU 268 HD23 0.02 -0.01 -0.15 -0.04 0.89 0.71 1h1lC1 ASN 269 H 0.08 0.55 0.23 -0.55 8.53 8.84 1h1lC1 ASN 269 HA -0.04 0.11 0.97 -0.75 4.76 5.05 1h1lC1 ASN 269 HB2 0.04 0.10 0.03 -0.04 2.88 3.01 1h1lC1 ASN 269 HB3 -0.12 -0.13 -0.11 -0.04 2.79 2.39 1h1lC1 ASN 269 HD21 -0.20 0.06 -0.20 -0.04 7.03 6.65 1h1lC1 ASN 269 HD22 -0.12 0.05 -0.18 -0.04 7.74 7.44 1h1lC1 LEU 270 H -0.02 0.69 0.26 -0.55 8.37 8.75 1h1lC1 LEU 270 HA 0.10 0.28 0.85 -0.75 4.35 4.82 1h1lC1 LEU 270 HB2 -0.12 -0.05 0.23 -0.04 1.64 1.67 1h1lC1 LEU 270 HB3 -0.41 -0.05 0.02 -0.04 1.64 1.16 1h1lC1 LEU 270 HG -0.03 0.03 -0.27 -0.04 1.64 1.33 1h1lC1 LEU 270 HD13 -0.22 -0.01 -0.13 -0.04 0.93 0.53 1h1lC1 LEU 270 HD23 -0.08 0.04 -0.14 -0.04 0.89 0.67 1h1lC1 VAL 271 H 0.27 0.81 0.15 -0.55 8.24 8.93 1h1lC1 VAL 271 HA 0.04 0.19 0.86 -0.75 4.13 4.47 1h1lC1 VAL 271 HB 0.32 0.04 -0.17 -0.04 2.12 2.26 1h1lC1 VAL 271 HG13 -0.05 -0.03 -0.42 -0.04 0.97 0.43 1h1lC1 VAL 271 HG23 -0.11 0.01 -0.30 -0.04 0.95 0.50 1h1lC1 HIS 272 H 0.05 0.70 0.13 -0.55 8.41 8.74 1h1lC1 HIS 272 HA -0.47 0.24 0.90 -0.75 4.63 4.54 1h1lC1 HIS 272 HB2 -0.28 -0.00 -0.05 -0.04 3.26 2.88 1h1lC1 HIS 272 HB3 -0.16 0.19 0.14 -0.04 3.20 3.32 1h1lC1 HIS 272 HD2 -1.75 0.06 -0.16 -0.04 6.97 5.08 1h1lC1 HIS 272 HE1 -0.46 -0.02 -0.04 -0.04 7.75 7.18 1h1lC1 CYS 273 H -0.01 0.38 0.31 -0.55 8.50 8.63 1h1lC1 CYS 273 HA -0.13 0.10 0.57 -0.75 4.58 4.37 1h1lC1 CYS 273 HB2 0.11 0.06 0.11 -0.04 2.97 3.22 1h1lC1 CYS 273 HB3 0.06 -0.01 0.25 -0.04 2.97 3.24 1h1lC1 TYR 274 H -0.04 0.38 0.18 -0.55 8.29 8.26 1h1lC1 TYR 274 HA -0.17 0.09 0.23 -0.75 4.56 3.96 1h1lC1 TYR 274 HB2 -0.09 0.15 0.07 -0.04 3.06 3.16 1h1lC1 TYR 274 HB3 -0.16 -0.05 0.18 -0.04 2.98 2.90 1h1lC1 TYR 274 HD2 -0.02 -0.02 -0.08 -0.04 7.15 6.99 1h1lC1 TYR 274 HE2 0.07 -0.01 -0.08 -0.04 6.85 6.78 1h1lC1 ARG 275 H -0.06 0.08 -0.12 -0.55 8.46 7.81 1h1lC1 ARG 275 HA -0.33 0.08 0.16 -0.75 4.34 3.50 1h1lC1 ARG 275 HB2 -0.05 0.15 0.14 -0.04 1.90 2.09 1h1lC1 ARG 275 HB3 0.00 -0.12 0.02 -0.04 1.80 1.66 1h1lC1 ARG 275 HG2 0.28 -0.13 -0.04 -0.04 1.67 1.75 1h1lC1 ARG 275 HG3 0.22 0.04 -0.22 -0.04 1.67 1.67 1h1lC1 ARG 275 HD2 -0.14 -0.04 0.11 -0.04 3.22 3.11 1h1lC1 ARG 275 HD3 0.06 0.07 0.02 -0.04 3.22 3.33 1h1lC1 SER 276 H -0.17 0.06 -0.29 -0.55 8.46 7.52 1h1lC1 SER 276 HA -0.07 0.13 0.43 -0.75 4.49 4.22 1h1lC1 SER 276 HB2 -0.63 0.07 -0.04 -0.04 3.95 3.30 1h1lC1 SER 276 HB3 -0.79 -0.11 -0.03 -0.04 3.93 2.95 1h1lC1 MET 277 H -0.26 0.34 -0.14 -0.55 8.47 7.86 1h1lC1 MET 277 HA -0.11 0.16 0.59 -0.75 4.52 4.41 1h1lC1 MET 277 HB2 -0.12 0.04 -0.03 -0.04 2.15 2.00 1h1lC1 MET 277 HB3 -0.16 0.01 0.05 -0.04 2.03 1.89 1h1lC1 MET 277 HG2 0.08 0.09 0.00 -0.04 2.63 2.75 1h1lC1 MET 277 HG3 0.05 -0.06 -0.36 -0.04 2.56 2.15 1h1lC1 MET 277 HE3 0.19 0.02 -0.11 -0.04 2.10 2.16 1h1lC1 ASN 278 H -0.73 0.47 -0.04 -0.55 8.53 7.69 1h1lC1 ASN 278 HA -0.84 0.02 -0.19 -0.75 4.76 3.01 1h1lC1 ASN 278 HB2 -0.78 0.02 0.04 -0.04 2.88 2.12 1h1lC1 ASN 278 HB3 -1.28 0.08 0.14 -0.04 2.79 1.70 1h1lC1 ASN 278 HD21 -1.31 -0.05 0.00 -0.04 7.03 5.63 1h1lC1 ASN 278 HD22 -1.18 0.36 0.06 -0.04 7.74 6.94 1h1lC1 TYR 279 H -0.95 0.09 -0.29 -0.55 8.29 6.58 1h1lC1 TYR 279 HA -0.24 0.05 0.14 -0.75 4.56 3.76 1h1lC1 TYR 279 HB2 -0.18 -0.00 0.10 -0.04 3.06 2.94 1h1lC1 TYR 279 HB3 -0.20 0.05 0.06 -0.04 2.98 2.85 1h1lC1 TYR 279 HD2 -0.35 0.07 -0.06 -0.04 7.15 6.77 1h1lC1 TYR 279 HE2 -0.23 0.01 -0.03 -0.04 6.85 6.56 1h1lC1 ILE 280 H -0.07 0.15 -0.11 -0.55 8.25 7.67 1h1lC1 ILE 280 HA 0.01 0.06 0.21 -0.75 4.18 3.71 1h1lC1 ILE 280 HB 0.06 -0.06 0.10 -0.04 1.89 1.96 1h1lC1 ILE 280 HG12 0.02 0.04 -0.06 -0.04 1.49 1.44 1h1lC1 ILE 280 HG13 0.03 0.01 0.07 -0.04 1.21 1.27 1h1lC1 ILE 280 HG23 -0.21 0.04 -0.08 -0.04 0.93 0.64 1h1lC1 ILE 280 HD13 0.10 0.01 -0.01 -0.04 0.88 0.94 1h1lC1 ALA 281 H -0.45 0.35 -0.26 -0.55 8.40 7.50 1h1lC1 ALA 281 HA -0.43 0.08 0.37 -0.75 4.34 3.60 1h1lC1 ALA 281 HB3 -1.12 0.00 -0.10 -0.04 1.41 0.15 1h1lC1 ARG 282 H -0.55 0.63 -0.05 -0.55 8.46 7.94 1h1lC1 ARG 282 HA 0.01 0.05 0.42 -0.75 4.34 4.07 1h1lC1 ARG 282 HB2 -0.11 0.15 0.19 -0.04 1.90 2.08 1h1lC1 ARG 282 HB3 0.04 -0.03 0.07 -0.04 1.80 1.84 1h1lC1 ARG 282 HG2 0.25 0.01 0.01 -0.04 1.67 1.90 1h1lC1 ARG 282 HG3 -0.31 -0.02 0.00 -0.04 1.67 1.30 1h1lC1 ARG 282 HD2 -0.11 -0.02 -0.13 -0.04 3.22 2.91 1h1lC1 ARG 282 HD3 0.06 0.01 -0.03 -0.04 3.22 3.21 1h1lC1 HIS 283 H -0.00 0.51 -0.06 -0.55 8.41 8.32 1h1lC1 HIS 283 HA -0.01 -0.03 0.09 -0.75 4.63 3.94 1h1lC1 HIS 283 HB2 0.01 -0.06 0.05 -0.04 3.26 3.22 1h1lC1 HIS 283 HB3 -0.02 0.03 0.12 -0.04 3.20 3.29 1h1lC1 HIS 283 HD2 0.06 0.06 -0.15 -0.04 6.97 6.90 1h1lC1 HIS 283 HE1 -0.01 0.03 -0.02 -0.04 7.75 7.70 1h1lC1 MET 284 H -0.06 0.47 -0.28 -0.55 8.47 8.06 1h1lC1 MET 284 HA 0.03 -0.01 0.39 -0.75 4.52 4.18 1h1lC1 MET 284 HB2 -0.10 0.05 -0.00 -0.04 2.15 2.06 1h1lC1 MET 284 HB3 -0.03 0.03 -0.05 -0.04 2.03 1.95 1h1lC1 MET 284 HG2 0.10 -0.01 -0.04 -0.04 2.63 2.64 1h1lC1 MET 284 HG3 0.02 0.07 -0.00 -0.04 2.56 2.60 1h1lC1 MET 284 HE3 -0.57 -0.04 -0.19 -0.04 2.10 1.25 1h1lC1 GLU 285 H 0.00 0.44 -0.15 -0.55 8.60 8.34 1h1lC1 GLU 285 HA 0.06 0.14 0.67 -0.75 4.29 4.40 1h1lC1 GLU 286 H -0.03 0.54 -0.01 -0.55 8.60 8.56 1h1lC1 GLU 286 HA -0.02 0.04 0.58 -0.75 4.29 4.14 1h1lC1 LYS 287 H -0.31 0.54 0.09 -0.55 8.42 8.19 1h1lC1 LYS 287 HA -0.22 0.10 0.34 -0.75 4.32 3.79 1h1lC1 LYS 287 HB2 -0.50 -0.08 0.07 -0.04 1.87 1.33 1h1lC1 LYS 287 HB3 -0.72 0.02 0.09 -0.04 1.79 1.14 1h1lC1 LYS 287 HG2 -0.78 0.06 -0.23 -0.04 1.46 0.47 1h1lC1 LYS 287 HG3 -0.28 -0.02 0.03 -0.04 1.46 1.15 1h1lC1 LYS 287 HD2 -0.04 -0.06 -0.02 -0.04 1.69 1.54 1h1lC1 LYS 287 HD3 -0.10 -0.01 -0.04 -0.04 1.68 1.49 1h1lC1 LYS 287 HE2 -0.21 0.04 -0.04 -0.04 2.99 2.74 1h1lC1 LYS 287 HE3 -0.09 -0.02 -0.01 -0.04 2.99 2.82 1h1lC1 HIS 288 H -0.11 0.24 0.02 -0.55 8.41 8.02 1h1lC1 HIS 288 HA -0.05 0.17 0.95 -0.75 4.63 4.93 1h1lC1 HIS 288 HB2 -0.09 0.10 0.13 -0.04 3.26 3.37 1h1lC1 HIS 288 HB3 -0.07 0.12 0.18 -0.04 3.20 3.39 1h1lC1 HIS 288 HD2 -0.08 0.03 0.03 -0.04 6.97 6.91 1h1lC1 HIS 288 HE1 0.05 -0.06 -0.08 -0.04 7.75 7.61 1h1lC1 GLN 289 H -0.02 0.07 -0.41 -0.55 8.47 7.56 1h1lC1 GLN 289 HA 0.01 0.19 0.27 -0.75 4.36 4.08 1h1lC1 GLN 289 HB2 0.02 0.29 -0.23 -0.04 2.15 2.19 1h1lC1 GLN 289 HB3 0.01 -0.08 0.22 -0.04 2.02 2.13 1h1lC1 GLN 289 HG2 0.00 -0.06 -0.08 -0.04 2.40 2.21 1h1lC1 GLN 289 HG3 -0.00 -0.05 -0.01 -0.04 2.39 2.29 1h1lC1 GLN 289 HE21 -0.05 0.13 0.00 -0.04 6.97 7.01 1h1lC1 GLN 289 HE22 -0.02 -0.04 -0.00 -0.04 7.69 7.59 1h1lC1 ILE 290 H 0.05 0.35 -0.12 -0.55 8.25 7.98 1h1lC1 ILE 290 HA 0.03 0.23 0.70 -0.75 4.18 4.38 1h1lC1 ILE 290 HB -0.00 -0.14 -0.13 -0.04 1.89 1.58 1h1lC1 ILE 290 HG12 -0.00 0.24 -0.11 -0.04 1.49 1.57 1h1lC1 ILE 290 HG13 0.03 0.09 -0.20 -0.04 1.21 1.09 1h1lC1 ILE 290 HG23 0.01 0.02 -0.40 -0.04 0.93 0.51 1h1lC1 ILE 290 HD13 -0.11 0.05 -0.02 -0.04 0.88 0.76 1h1lC1 PRO 291 HA 0.07 0.02 0.56 -0.51 4.44 4.58 1h1lC1 PRO 291 HB2 -0.07 -0.02 0.05 -0.04 2.28 2.20 1h1lC1 PRO 291 HB3 -0.05 0.02 0.14 -0.04 2.02 2.08 1h1lC1 PRO 291 HG2 -0.04 -0.02 0.15 -0.04 2.03 2.08 1h1lC1 PRO 291 HG3 -0.06 0.06 0.16 -0.04 2.03 2.15 1h1lC1 PRO 291 HD2 0.01 0.16 0.15 -0.04 3.68 3.96 1h1lC1 PRO 291 HD3 0.00 0.30 0.30 -0.04 3.65 4.21 1h1lC1 TRP 292 H -0.11 0.21 0.21 -0.55 7.97 7.73 1h1lC1 TRP 292 HA -0.05 0.20 0.72 -0.75 4.62 4.73 1h1lC1 TRP 292 HB2 -0.06 -0.07 0.03 -0.04 3.23 3.09 1h1lC1 TRP 292 HB3 -0.08 0.09 -0.12 -0.04 3.23 3.08 1h1lC1 TRP 292 HD1 -0.05 0.18 -0.10 -0.04 7.22 7.22 1h1lC1 TRP 292 HE1 -0.02 0.00 -0.10 -0.04 10.20 10.04 1h1lC1 TRP 292 HE3 -0.01 0.02 -0.29 -0.04 7.59 7.27 1h1lC1 TRP 292 HZ2 0.02 0.01 -0.06 -0.04 7.44 7.36 1h1lC1 TRP 292 HZ3 0.11 -0.07 -0.14 -0.04 7.13 6.99 1h1lC1 TRP 292 HH2 0.21 -0.05 -0.06 -0.04 7.19 7.25 1h1lC1 MET 293 H 0.24 0.57 0.33 -0.55 8.47 9.06 1h1lC1 MET 293 HA -0.26 0.09 0.58 -0.75 4.52 4.17 1h1lC1 MET 293 HB2 -0.04 0.07 -0.06 -0.04 2.15 2.08 1h1lC1 MET 293 HB3 -0.12 0.12 -0.08 -0.04 2.03 1.91 1h1lC1 MET 293 HG2 0.01 0.02 -0.14 -0.04 2.63 2.47 1h1lC1 MET 293 HG3 0.06 -0.12 -0.18 -0.04 2.56 2.27 1h1lC1 MET 293 HE3 0.02 -0.03 -0.19 -0.04 2.10 1.85 1h1lC1 GLU 294 H 0.01 0.16 0.18 -0.55 8.60 8.39 1h1lC1 GLU 294 HA 0.20 0.26 0.50 -0.75 4.29 4.49 1h1lC1 GLU 294 HB2 0.02 0.02 0.14 -0.04 2.09 2.23 1h1lC1 GLU 294 HB3 0.04 0.05 0.09 -0.04 1.99 2.13 1h1lC1 GLU 294 HG2 0.27 -0.07 -0.04 -0.04 2.34 2.45 1h1lC1 GLU 294 HG3 0.45 -0.06 -0.07 -0.04 2.34 2.62 1h1lC1 TYR 295 H -0.02 0.46 0.38 -0.55 8.29 8.56 1h1lC1 TYR 295 HA -0.00 0.22 0.56 -0.75 4.56 4.59 1h1lC1 TYR 295 HB2 -0.05 -0.10 0.12 -0.04 3.06 2.98 1h1lC1 TYR 295 HB3 -0.05 0.16 -0.05 -0.04 2.98 3.00 1h1lC1 TYR 295 HD2 -0.39 0.04 -0.21 -0.04 7.15 6.55 1h1lC1 TYR 295 HE2 -0.68 -0.06 -0.39 -0.04 6.85 5.68 1h1lC1 ASN 296 H 0.18 0.29 0.03 -0.55 8.53 8.49 1h1lC1 ASN 296 HA -0.29 0.04 0.76 -0.75 4.76 4.51 1h1lC1 ASN 296 HB2 -0.33 0.11 -0.24 -0.04 2.88 2.38 1h1lC1 ASN 296 HB3 -0.12 0.06 0.09 -0.04 2.79 2.78 1h1lC1 ASN 296 HD21 -0.47 0.38 0.18 -0.04 7.03 7.08 1h1lC1 ASN 296 HD22 -0.56 0.03 0.00 -0.04 7.74 7.16 1h1lC1 PHE 297 H 0.16 0.14 0.02 -0.55 8.34 8.11 1h1lC1 PHE 297 HA -0.15 0.27 0.66 -0.75 4.62 4.66 1h1lC1 PHE 297 HB2 -0.31 -0.02 0.05 -0.04 3.15 2.84 1h1lC1 PHE 297 HB3 -0.26 -0.17 0.19 -0.04 3.06 2.78 1h1lC1 PHE 297 HD2 0.01 0.03 -0.19 -0.04 7.28 7.09 1h1lC1 PHE 297 HE2 -0.05 0.11 -0.05 -0.04 7.38 7.35 1h1lC1 PHE 297 HZ -0.12 0.08 -0.10 -0.04 7.32 7.14 1h1lC1 PHE 298 H -0.01 0.15 -0.33 -0.55 8.34 7.59 1h1lC1 PHE 298 HA -0.10 0.20 0.94 -0.75 4.62 4.91 1h1lC1 PHE 298 HB2 -0.21 0.11 0.15 -0.04 3.15 3.17 1h1lC1 PHE 298 HB3 -0.22 -0.00 0.01 -0.04 3.06 2.81 1h1lC1 PHE 298 HD2 -0.15 0.11 -0.10 -0.04 7.28 7.09 1h1lC1 PHE 298 HE2 0.27 -0.03 -0.12 -0.04 7.38 7.46 1h1lC1 PHE 298 HZ 0.79 -0.04 -0.07 -0.04 7.32 7.96 1h1lC1 GLY 299 H -0.08 0.24 -0.03 -0.55 8.43 8.02 1h1lC1 GLY 299 HA2 -0.42 0.14 0.34 -0.51 4.01 3.56 1h1lC1 GLY 299 HA3 -0.24 0.09 0.49 -0.51 4.01 3.85 1h1lC1 PRO 300 HA -0.14 0.04 0.26 -0.51 4.44 4.10 1h1lC1 PRO 300 HB2 -0.14 0.10 0.01 -0.04 2.28 2.20 1h1lC1 PRO 300 HB3 -0.08 0.04 0.11 -0.04 2.02 2.05 1h1lC1 PRO 300 HG2 -0.43 0.12 0.12 -0.04 2.03 1.80 1h1lC1 PRO 300 HG3 -0.61 0.09 0.11 -0.04 2.03 1.58 1h1lC1 PRO 300 HD2 -1.27 0.18 0.22 -0.04 3.68 2.77 1h1lC1 PRO 300 HD3 -2.17 0.12 0.17 -0.04 3.65 1.73 1h1lC1 THR 301 H -0.18 0.18 -0.12 -0.55 8.28 7.61 1h1lC1 THR 301 HA -0.06 0.11 0.44 -0.75 4.39 4.13 1h1lC1 THR 301 HB -0.08 -0.04 0.04 -0.04 4.32 4.20 1h1lC1 THR 301 HG23 -0.04 0.02 -0.15 -0.04 1.22 1.01 1h1lC1 LYS 302 H -0.10 0.15 -0.18 -0.55 8.42 7.74 1h1lC1 LYS 302 HA -0.04 0.05 0.60 -0.75 4.32 4.19 1h1lC1 LYS 302 HB2 -0.07 0.14 -0.06 -0.04 1.87 1.83 1h1lC1 LYS 302 HB3 -0.06 0.04 0.05 -0.04 1.79 1.78 1h1lC1 LYS 302 HG2 -0.07 -0.08 0.04 -0.04 1.46 1.31 1h1lC1 LYS 302 HG3 -0.10 0.01 0.06 -0.04 1.46 1.39 1h1lC1 LYS 302 HD2 -0.07 -0.02 0.03 -0.04 1.69 1.59 1h1lC1 LYS 302 HD3 -0.04 0.00 -0.02 -0.04 1.68 1.58 1h1lC1 LYS 302 HE2 -0.04 0.05 -0.04 -0.04 2.99 2.92 1h1lC1 LYS 302 HE3 -0.06 -0.06 0.01 -0.04 2.99 2.84 1h1lC1 ILE 303 H -0.15 0.47 -0.43 -0.55 8.25 7.59 1h1lC1 ILE 303 HA -0.12 0.01 0.26 -0.75 4.18 3.57 1h1lC1 ILE 303 HB -0.39 0.10 0.02 -0.04 1.89 1.58 1h1lC1 ILE 303 HG12 -0.79 -0.13 -0.03 -0.04 1.49 0.50 1h1lC1 ILE 303 HG13 -0.30 -0.01 -0.27 -0.04 1.21 0.59 1h1lC1 ILE 303 HG23 -1.06 -0.02 -0.13 -0.04 0.93 -0.32 1h1lC1 ILE 303 HD13 -0.59 -0.02 -0.43 -0.04 0.88 -0.20 1h1lC1 ALA 304 H -0.06 0.51 -0.18 -0.55 8.40 8.13 1h1lC1 ALA 304 HA 0.01 0.00 0.28 -0.75 4.34 3.88 1h1lC1 ALA 304 HB3 0.01 0.03 0.16 -0.04 1.41 1.57 1h1lC1 GLU 305 H -0.01 0.46 -0.14 -0.55 8.60 8.36 1h1lC1 GLU 305 HA 0.01 0.01 0.25 -0.75 4.29 3.81 1h1lC1 GLU 305 HB2 -0.01 0.02 0.10 -0.04 2.09 2.17 1h1lC1 GLU 305 HB3 0.00 0.05 0.20 -0.04 1.99 2.20 1h1lC1 GLU 305 HG2 0.02 -0.01 -0.23 -0.04 2.34 2.08 1h1lC1 GLU 305 HG3 -0.00 -0.01 0.03 -0.04 2.34 2.32 1h1lC1 SER 306 H 0.08 0.66 -0.02 -0.55 8.46 8.63 1h1lC1 SER 306 HA 0.10 0.02 0.50 -0.75 4.49 4.36 1h1lC1 SER 306 HB2 0.37 0.18 0.10 -0.04 3.95 4.56 1h1lC1 SER 306 HB3 0.32 -0.09 -0.14 -0.04 3.93 3.97 1h1lC1 LEU 307 H 0.10 0.73 -0.04 -0.55 8.37 8.62 1h1lC1 LEU 307 HA 0.11 -0.01 0.51 -0.75 4.35 4.20 1h1lC1 LEU 307 HB2 0.03 0.11 0.13 -0.04 1.64 1.87 1h1lC1 LEU 307 HB3 0.04 -0.03 0.05 -0.04 1.64 1.65 1h1lC1 LEU 307 HG -0.06 0.04 0.02 -0.04 1.64 1.60 1h1lC1 LEU 307 HD13 -0.06 -0.02 -0.08 -0.04 0.93 0.73 1h1lC1 LEU 307 HD23 0.08 -0.02 -0.09 -0.04 0.89 0.82 1h1lC1 ARG 308 H 0.04 0.51 -0.23 -0.55 8.46 8.23 1h1lC1 ARG 308 HA 0.03 -0.00 0.06 -0.75 4.34 3.68 1h1lC1 ARG 308 HB2 0.02 0.09 0.12 -0.04 1.90 2.09 1h1lC1 ARG 308 HB3 0.01 -0.03 0.00 -0.04 1.80 1.75 1h1lC1 ARG 308 HG2 0.02 -0.05 -0.06 -0.04 1.67 1.54 1h1lC1 ARG 308 HG3 0.02 0.06 0.01 -0.04 1.67 1.72 1h1lC1 ARG 308 HD2 0.01 0.01 -0.10 -0.04 3.22 3.10 1h1lC1 ARG 308 HD3 0.01 -0.02 -0.04 -0.04 3.22 3.14 1h1lC1 LYS 309 H 0.03 0.59 -0.02 -0.55 8.42 8.47 1h1lC1 LYS 309 HA 0.00 0.02 0.37 -0.75 4.32 3.97 1h1lC1 ILE 310 H 0.04 0.63 -0.17 -0.55 8.25 8.20 1h1lC1 ILE 310 HA 0.02 0.04 0.35 -0.75 4.18 3.83 1h1lC1 ILE 310 HB 0.04 0.09 0.08 -0.04 1.89 2.06 1h1lC1 ILE 310 HG12 -0.08 -0.05 -0.07 -0.04 1.49 1.25 1h1lC1 ILE 310 HG13 -0.01 0.22 0.08 -0.04 1.21 1.45 1h1lC1 ILE 310 HG23 0.10 -0.03 -0.19 -0.04 0.93 0.77 1h1lC1 ILE 310 HD13 -0.29 -0.06 -0.14 -0.04 0.88 0.35 1h1lC1 ALA 311 H 0.07 0.55 -0.18 -0.55 8.40 8.29 1h1lC1 ALA 311 HA 0.23 0.03 0.23 -0.75 4.34 4.07 1h1lC1 ALA 311 HB3 0.05 -0.02 -0.09 -0.04 1.41 1.30 1h1lC1 ASP 312 H 0.04 0.40 -0.41 -0.55 8.40 7.88 1h1lC1 ASP 312 HA 0.03 -0.05 0.09 -0.75 4.63 3.94 1h1lC1 ASP 312 HB2 0.01 0.07 0.07 -0.04 2.71 2.82 1h1lC1 ASP 312 HB3 -0.01 0.13 0.09 -0.04 2.70 2.87 1h1lC1 GLN 313 H -0.01 0.47 -0.54 -0.55 8.47 7.84 1h1lC1 GLN 313 HA -0.17 0.04 0.54 -0.75 4.36 4.02 1h1lC1 GLN 313 HB2 -0.53 0.09 -0.02 -0.04 2.15 1.65 1h1lC1 GLN 313 HB3 -0.45 -0.04 0.11 -0.04 2.02 1.61 1h1lC1 GLN 313 HG2 -0.08 0.19 0.10 -0.04 2.40 2.57 1h1lC1 GLN 313 HG3 -0.14 -0.11 -0.03 -0.04 2.39 2.07 1h1lC1 GLN 313 HE21 -0.08 -0.09 -0.08 -0.04 6.97 6.68 1h1lC1 GLN 313 HE22 -0.06 0.32 -0.02 -0.04 7.69 7.89 1h1lC1 PHE 314 H 0.12 0.43 -0.31 -0.55 8.34 8.03 1h1lC1 PHE 314 HA 0.08 0.24 1.01 -0.75 4.62 5.20 1h1lC1 PHE 314 HB2 0.05 0.01 0.25 -0.04 3.15 3.41 1h1lC1 PHE 314 HB3 0.22 -0.11 0.20 -0.04 3.06 3.33 1h1lC1 PHE 314 HD2 0.12 0.06 0.01 -0.04 7.28 7.43 1h1lC1 PHE 314 HE2 0.06 0.03 -0.05 -0.04 7.38 7.38 1h1lC1 PHE 314 HZ 0.06 -0.04 -0.24 -0.04 7.32 7.07 1h1lC1 ASP 315 H 0.24 0.10 0.29 -0.55 8.40 8.48 1h1lC1 ASP 315 HA 0.09 0.29 0.72 -0.75 4.63 4.97 1h1lC1 ASP 315 HB2 0.09 0.16 0.17 -0.04 2.71 3.10 1h1lC1 ASP 315 HB3 0.18 0.06 -0.10 -0.04 2.70 2.79 1h1lC1 ASP 316 H 0.05 0.24 0.17 -0.55 8.40 8.32 1h1lC1 ASP 316 HA 0.03 0.10 0.20 -0.75 4.63 4.21 1h1lC1 ASP 316 HB2 0.03 0.01 0.00 -0.04 2.71 2.72 1h1lC1 ASP 316 HB3 0.02 0.03 -0.02 -0.04 2.70 2.69 1h1lC1 THR 317 H 0.05 0.09 -0.20 -0.55 8.28 7.67 1h1lC1 THR 317 HA 0.01 0.12 0.69 -0.75 4.39 4.45 1h1lC1 THR 317 HB 0.03 -0.01 0.04 -0.04 4.32 4.34 1h1lC1 THR 317 HG23 -0.02 0.03 -0.09 -0.04 1.22 1.10 1h1lC1 ILE 318 H -0.00 0.12 -0.04 -0.55 8.25 7.77 1h1lC1 ILE 318 HA -0.14 0.23 0.50 -0.75 4.18 4.01 1h1lC1 ILE 318 HB 0.05 0.05 0.31 -0.04 1.89 2.27 1h1lC1 ILE 318 HG12 -0.22 -0.17 0.11 -0.04 1.49 1.17 1h1lC1 ILE 318 HG13 -0.43 0.06 0.07 -0.04 1.21 0.88 1h1lC1 ILE 318 HG23 -0.13 0.04 0.03 -0.04 0.93 0.83 1h1lC1 ILE 318 HD13 -1.08 0.02 -0.04 -0.04 0.88 -0.27 1h1lC1 ARG 319 H 0.03 0.49 0.01 -0.55 8.46 8.44 1h1lC1 ARG 319 HA 0.03 0.01 -0.10 -0.75 4.34 3.53 1h1lC1 ARG 319 HB2 0.02 -0.04 0.03 -0.04 1.90 1.87 1h1lC1 ARG 319 HB3 0.02 -0.02 -0.08 -0.04 1.80 1.68 1h1lC1 ARG 319 HG2 0.03 -0.01 -0.30 -0.04 1.67 1.36 1h1lC1 ARG 319 HG3 0.05 0.17 -0.28 -0.04 1.67 1.57 1h1lC1 ARG 319 HD2 0.03 -0.10 -0.16 -0.04 3.22 2.95 1h1lC1 ARG 319 HD3 0.02 -0.01 -0.10 -0.04 3.22 3.09 1h1lC1 ALA 320 H 0.00 0.56 -0.27 -0.55 8.40 8.15 1h1lC1 ALA 320 HA 0.00 -0.03 0.43 -0.75 4.34 3.99 1h1lC1 ALA 320 HB3 -0.00 0.05 0.04 -0.04 1.41 1.46 1h1lC1 ASN 321 H -0.02 0.61 -0.05 -0.55 8.53 8.51 1h1lC1 ASN 321 HA -0.01 -0.03 0.75 -0.75 4.76 4.71 1h1lC1 ASN 321 HB2 -0.06 0.18 0.25 -0.04 2.88 3.21 1h1lC1 ASN 321 HB3 -0.04 -0.08 0.11 -0.04 2.79 2.73 1h1lC1 ASN 321 HD21 -0.15 -0.17 -0.10 -0.04 7.03 6.57 1h1lC1 ASN 321 HD22 -0.18 0.43 0.14 -0.04 7.74 8.08 1h1lC1 ALA 322 H -0.00 0.61 -0.11 -0.55 8.40 8.34 1h1lC1 ALA 322 HA 0.02 0.02 0.50 -0.75 4.34 4.13 1h1lC1 ALA 322 HB3 0.02 0.02 -0.15 -0.04 1.41 1.26 1h1lC1 GLU 323 H 0.01 0.43 0.01 -0.55 8.60 8.51 1h1lC1 GLU 323 HA 0.02 0.02 0.75 -0.75 4.29 4.32 1h1lC1 GLU 323 HB2 0.01 0.22 0.22 -0.04 2.09 2.50 1h1lC1 GLU 323 HB3 0.01 -0.06 0.06 -0.04 1.99 1.95 1h1lC1 GLU 323 HG2 0.01 0.19 0.16 -0.04 2.34 2.66 1h1lC1 GLU 323 HG3 0.01 -0.03 0.06 -0.04 2.34 2.34 1h1lC1 ALA 324 H 0.01 0.43 -0.24 -0.55 8.40 8.06 1h1lC1 ALA 324 HA 0.00 0.02 0.26 -0.75 4.34 3.87 1h1lC1 ALA 324 HB3 -0.00 0.03 0.16 -0.04 1.41 1.56 1h1lC1 VAL 325 H 0.04 0.38 -0.16 -0.55 8.24 7.95 1h1lC1 VAL 325 HA 0.12 0.05 0.26 -0.75 4.13 3.80 1h1lC1 VAL 325 HB 0.08 0.07 0.17 -0.04 2.12 2.40 1h1lC1 VAL 325 HG13 0.21 -0.04 -0.24 -0.04 0.97 0.85 1h1lC1 VAL 325 HG23 0.08 0.05 -0.09 -0.04 0.95 0.95 1h1lC1 ILE 326 H 0.07 0.57 -0.15 -0.55 8.25 8.19 1h1lC1 ILE 326 HA 0.10 -0.05 0.43 -0.75 4.18 3.91 1h1lC1 ILE 326 HB 0.04 0.14 0.11 -0.04 1.89 2.13 1h1lC1 ILE 326 HG12 0.10 -0.12 0.03 -0.04 1.49 1.47 1h1lC1 ILE 326 HG13 0.08 0.06 0.09 -0.04 1.21 1.41 1h1lC1 ILE 326 HG23 0.02 -0.02 -0.20 -0.04 0.93 0.69 1h1lC1 ILE 326 HD13 0.03 0.01 0.04 -0.04 0.88 0.92 1h1lC1 ALA 327 H 0.01 0.63 -0.23 -0.55 8.40 8.28 1h1lC1 ALA 327 HA -0.02 0.02 0.68 -0.75 4.34 4.26 1h1lC1 ALA 327 HB3 -0.01 0.01 0.05 -0.04 1.41 1.42 1h1lC1 ARG 328 H -0.01 0.60 -0.15 -0.55 8.46 8.34 1h1lC1 ARG 328 HA -0.10 0.02 0.57 -0.75 4.34 4.08 1h1lC1 ARG 328 HB2 -0.07 0.04 0.17 -0.04 1.90 2.00 1h1lC1 ARG 328 HB3 -0.05 0.17 0.21 -0.04 1.80 2.09 1h1lC1 ARG 328 HG2 -0.41 -0.07 -0.12 -0.04 1.67 1.04 1h1lC1 ARG 328 HG3 -0.16 -0.04 0.06 -0.04 1.67 1.50 1h1lC1 ARG 328 HD2 -0.07 0.03 0.00 -0.04 3.22 3.15 1h1lC1 ARG 328 HD3 -0.15 -0.00 -0.02 -0.04 3.22 3.01 1h1lC1 TYR 329 H -0.02 0.43 -0.24 -0.55 8.29 7.90 1h1lC1 TYR 329 HA -0.20 0.13 0.84 -0.75 4.56 4.57 1h1lC1 TYR 329 HB2 -0.95 0.15 0.12 -0.04 3.06 2.34 1h1lC1 TYR 329 HB3 -0.94 -0.13 0.16 -0.04 2.98 2.03 1h1lC1 TYR 329 HD2 -0.13 0.18 0.03 -0.04 7.15 7.19 1h1lC1 TYR 329 HE2 0.05 0.01 -0.03 -0.04 6.85 6.84 1h1lC1 GLU 330 H -0.09 0.45 -0.42 -0.55 8.60 8.00 1h1lC1 GLU 330 HA -0.08 0.00 0.24 -0.75 4.29 3.70 1h1lC1 GLU 330 HB2 -0.05 0.21 0.23 -0.04 2.09 2.44 1h1lC1 GLU 330 HB3 -0.04 -0.01 0.02 -0.04 1.99 1.92 1h1lC1 GLU 330 HG2 -0.03 -0.02 0.04 -0.04 2.34 2.28 1h1lC1 GLU 330 HG3 -0.02 0.02 0.02 -0.04 2.34 2.31 1h1lC1 GLY 331 H -0.06 0.23 -0.11 -0.55 8.43 7.94 1h1lC1 GLY 331 HA2 -0.02 0.09 0.51 -0.51 4.01 4.08 1h1lC1 GLY 331 HA3 -0.03 0.11 0.31 -0.51 4.01 3.89 1h1lC1 GLN 332 H -0.04 0.16 -0.26 -0.55 8.47 7.78 1h1lC1 GLN 332 HA 0.03 0.04 0.23 -0.75 4.36 3.92 1h1lC1 GLN 332 HB2 -0.00 0.01 0.07 -0.04 2.15 2.18 1h1lC1 GLN 332 HB3 0.04 0.16 0.11 -0.04 2.02 2.29 1h1lC1 GLN 332 HG2 0.15 -0.00 -0.20 -0.04 2.40 2.30 1h1lC1 GLN 332 HG3 0.09 -0.00 -0.05 -0.04 2.39 2.39 1h1lC1 GLN 332 HE21 0.28 -0.06 -0.15 -0.04 6.97 7.01 1h1lC1 GLN 332 HE22 0.22 0.06 -0.18 -0.04 7.69 7.76 1h1lC1 MET 333 H -0.00 0.61 0.01 -0.55 8.47 8.54 1h1lC1 MET 333 HA 0.17 -0.01 0.66 -0.75 4.52 4.59 1h1lC1 MET 333 HB2 -0.03 0.16 0.16 -0.04 2.15 2.41 1h1lC1 MET 333 HB3 -0.00 -0.06 0.07 -0.04 2.03 2.00 1h1lC1 MET 333 HG2 -0.15 0.18 0.08 -0.04 2.63 2.70 1h1lC1 MET 333 HG3 -0.04 -0.04 0.03 -0.04 2.56 2.46 1h1lC1 MET 333 HE3 0.22 0.00 -0.03 -0.04 2.10 2.25 1h1lC1 ALA 334 H 0.02 0.69 -0.08 -0.55 8.40 8.48 1h1lC1 ALA 334 HA 0.04 0.00 0.50 -0.75 4.34 4.13 1h1lC1 ALA 334 HB3 0.01 0.02 0.11 -0.04 1.41 1.51 1h1lC1 ALA 335 H 0.04 0.56 -0.02 -0.55 8.40 8.43 1h1lC1 ALA 335 HA 0.02 0.06 0.65 -0.75 4.34 4.31 1h1lC1 ALA 335 HB3 0.02 0.01 0.05 -0.04 1.41 1.45 1h1lC1 ILE 336 H 0.12 0.41 -0.22 -0.55 8.25 8.01 1h1lC1 ILE 336 HA 0.19 0.06 0.70 -0.75 4.18 4.37 1h1lC1 ILE 336 HB 0.29 0.08 0.23 -0.04 1.89 2.45 1h1lC1 ILE 336 HG12 0.13 -0.04 0.07 -0.04 1.49 1.61 1h1lC1 ILE 336 HG13 0.14 0.06 0.05 -0.04 1.21 1.41 1h1lC1 ILE 336 HG23 -0.00 -0.02 -0.12 -0.04 0.93 0.75 1h1lC1 ILE 336 HD13 0.22 -0.03 -0.07 -0.04 0.88 0.96 1h1lC1 ILE 337 H 0.19 0.60 0.07 -0.55 8.25 8.57 1h1lC1 ILE 337 HA 0.18 -0.00 0.57 -0.75 4.18 4.17 1h1lC1 ILE 337 HB 0.10 0.07 0.25 -0.04 1.89 2.26 1h1lC1 ILE 337 HG12 0.25 0.16 0.14 -0.04 1.49 2.01 1h1lC1 ILE 337 HG13 0.37 -0.08 0.14 -0.04 1.21 1.60 1h1lC1 ILE 337 HG23 0.08 0.01 0.02 -0.04 0.93 0.99 1h1lC1 ILE 337 HD13 0.04 -0.04 0.04 -0.04 0.88 0.88 1h1lC1 ALA 338 H 0.05 0.52 -0.15 -0.55 8.40 8.27 1h1lC1 ALA 338 HA 0.01 0.01 0.24 -0.75 4.34 3.85 1h1lC1 ALA 338 HB3 -0.00 -0.01 -0.01 -0.04 1.41 1.34 1h1lC1 LYS 339 H -0.05 0.33 -0.29 -0.55 8.42 7.86 1h1lC1 LYS 339 HA -0.18 0.09 0.91 -0.75 4.32 4.39 1h1lC1 LYS 339 HB2 -0.21 0.02 0.16 -0.04 1.87 1.81 1h1lC1 LYS 339 HB3 -0.54 0.00 0.08 -0.04 1.79 1.29 1h1lC1 LYS 339 HG2 -0.88 0.01 -0.26 -0.04 1.46 0.29 1h1lC1 LYS 339 HG3 -0.31 -0.02 0.05 -0.04 1.46 1.14 1h1lC1 LYS 339 HD2 -0.21 -0.02 0.01 -0.04 1.69 1.43 1h1lC1 LYS 339 HD3 -0.68 -0.02 -0.04 -0.04 1.68 0.90 1h1lC1 LYS 339 HE2 -0.26 0.01 -0.03 -0.04 2.99 2.67 1h1lC1 LYS 339 HE3 -0.17 -0.00 -0.00 -0.04 2.99 2.77 1h1lC1 TYR 340 H 0.02 0.65 0.08 -0.55 8.29 8.50 1h1lC1 TYR 340 HA -0.03 0.17 0.89 -0.75 4.56 4.83 1h1lC1 TYR 340 HB2 -0.08 0.06 0.14 -0.04 3.06 3.13 1h1lC1 TYR 340 HB3 -0.10 -0.02 0.08 -0.04 2.98 2.90 1h1lC1 TYR 340 HD2 -0.07 0.06 0.04 -0.04 7.15 7.13 1h1lC1 TYR 340 HE2 -0.04 -0.01 -0.02 -0.04 6.85 6.74 1h1lC1 ARG 341 H 0.08 0.57 0.13 -0.55 8.46 8.69 1h1lC1 ARG 341 HA 0.07 0.05 0.17 -0.75 4.34 3.88 1h1lC1 ARG 341 HB2 0.09 -0.06 0.21 -0.04 1.90 2.10 1h1lC1 ARG 341 HB3 0.05 0.10 0.14 -0.04 1.80 2.04 1h1lC1 ARG 341 HG2 0.04 -0.03 -0.24 -0.04 1.67 1.40 1h1lC1 ARG 341 HG3 0.05 0.14 -0.19 -0.04 1.67 1.63 1h1lC1 ARG 341 HD2 0.07 0.08 -0.13 -0.04 3.22 3.19 1h1lC1 ARG 341 HD3 0.04 -0.04 -0.05 -0.04 3.22 3.13 1h1lC1 PRO 342 HA 0.01 0.03 0.49 -0.51 4.44 4.46 1h1lC1 PRO 342 HB2 -0.02 0.08 -0.03 -0.04 2.28 2.27 1h1lC1 PRO 342 HB3 -0.01 -0.03 0.06 -0.04 2.02 2.00 1h1lC1 PRO 342 HG2 -0.02 0.19 0.09 -0.04 2.03 2.25 1h1lC1 PRO 342 HG3 0.00 -0.06 0.05 -0.04 2.03 1.99 1h1lC1 PRO 342 HD2 -0.02 0.16 -0.66 -0.04 3.68 3.12 1h1lC1 PRO 342 HD3 0.02 0.15 0.11 -0.04 3.65 3.88 1h1lC1 ARG 343 H 0.01 0.28 -0.35 -0.55 8.46 7.85 1h1lC1 ARG 343 HA 0.01 0.04 0.51 -0.75 4.34 4.15 1h1lC1 ARG 343 HB2 0.08 0.16 0.09 -0.04 1.90 2.19 1h1lC1 ARG 343 HB3 0.05 -0.05 0.03 -0.04 1.80 1.78 1h1lC1 ARG 343 HG2 -0.00 -0.05 0.02 -0.04 1.67 1.60 1h1lC1 ARG 343 HG3 -0.03 0.11 0.05 -0.04 1.67 1.75 1h1lC1 ARG 343 HD2 0.08 -0.04 0.03 -0.04 3.22 3.24 1h1lC1 ARG 343 HD3 0.04 -0.04 0.00 -0.04 3.22 3.19 1h1lC1 LEU 344 H 0.03 0.30 -0.24 -0.55 8.37 7.91 1h1lC1 LEU 344 HA 0.01 0.15 0.90 -0.75 4.35 4.65 1h1lC1 LEU 344 HB2 0.04 0.13 0.02 -0.04 1.64 1.79 1h1lC1 LEU 344 HB3 0.02 -0.13 -0.04 -0.04 1.64 1.45 1h1lC1 LEU 344 HG 0.04 0.03 -0.20 -0.04 1.64 1.48 1h1lC1 LEU 344 HD13 -0.07 -0.05 -0.07 -0.04 0.93 0.70 1h1lC1 LEU 344 HD23 -0.03 -0.00 -0.20 -0.04 0.89 0.62 1h1lC1 GLU 345 H 0.02 0.48 0.14 -0.55 8.60 8.70 1h1lC1 GLU 345 HA 0.03 0.03 0.16 -0.75 4.29 3.76 1h1lC1 GLU 345 HB2 0.02 -0.09 0.11 -0.04 2.09 2.09 1h1lC1 GLU 345 HB3 0.03 0.10 0.12 -0.04 1.99 2.19 1h1lC1 GLU 345 HG2 0.01 -0.11 -0.01 -0.04 2.34 2.19 1h1lC1 GLU 345 HG3 0.01 0.11 0.10 -0.04 2.34 2.52 1h1lC1 GLY 346 H 0.01 0.75 0.32 -0.55 8.43 8.97 1h1lC1 GLY 346 HA2 -0.00 -0.08 0.41 -0.51 4.01 3.83 1h1lC1 GLY 346 HA3 -0.00 0.06 0.52 -0.51 4.01 4.08 1h1lC1 ARG 347 H -0.00 0.43 -0.24 -0.55 8.46 8.08 1h1lC1 ARG 347 HA -0.04 0.09 0.75 -0.75 4.34 4.38 1h1lC1 ARG 347 HB2 -0.02 0.03 0.05 -0.04 1.90 1.92 1h1lC1 ARG 347 HB3 -0.05 -0.08 0.02 -0.04 1.80 1.64 1h1lC1 ARG 347 HG2 -0.02 0.11 -0.18 -0.04 1.67 1.54 1h1lC1 ARG 347 HG3 -0.02 0.02 -0.00 -0.04 1.67 1.62 1h1lC1 ARG 347 HD2 -0.06 -0.05 0.05 -0.04 3.22 3.12 1h1lC1 ARG 347 HD3 -0.04 -0.02 0.02 -0.04 3.22 3.14 1h1lC1 LYS 348 H -0.07 0.17 0.25 -0.55 8.42 8.21 1h1lC1 LYS 348 HA -0.08 0.29 0.84 -0.75 4.32 4.62 1h1lC1 VAL 349 H -0.14 0.63 0.42 -0.55 8.24 8.60 1h1lC1 VAL 349 HA -0.19 0.35 1.05 -0.75 4.13 4.58 1h1lC1 VAL 349 HB -0.35 -0.07 -0.03 -0.04 2.12 1.63 1h1lC1 VAL 349 HG13 -0.57 -0.03 -0.27 -0.04 0.97 0.06 1h1lC1 VAL 349 HG23 -0.29 0.02 -0.27 -0.04 0.95 0.37 1h1lC1 LEU 350 H -0.18 0.60 0.36 -0.55 8.37 8.61 1h1lC1 LEU 350 HA -0.09 0.30 0.86 -0.75 4.35 4.67 1h1lC1 LEU 350 HB2 -0.09 0.06 0.03 -0.04 1.64 1.61 1h1lC1 LEU 350 HB3 -0.14 0.02 0.13 -0.04 1.64 1.61 1h1lC1 LEU 350 HG 0.07 -0.01 -0.03 -0.04 1.64 1.63 1h1lC1 LEU 350 HD13 -0.00 0.02 -0.12 -0.04 0.93 0.78 1h1lC1 LEU 350 HD23 0.03 -0.03 -0.35 -0.04 0.89 0.51 1h1lC1 LEU 351 H -0.08 0.57 0.18 -0.55 8.37 8.49 1h1lC1 LEU 351 HA -0.10 0.26 1.13 -0.75 4.35 4.88 1h1lC1 LEU 351 HB2 -0.18 -0.01 0.19 -0.04 1.64 1.60 1h1lC1 LEU 351 HB3 -0.15 -0.14 0.04 -0.04 1.64 1.35 1h1lC1 LEU 351 HG -0.24 0.05 -0.26 -0.04 1.64 1.15 1h1lC1 LEU 351 HD13 -0.17 0.00 -0.04 -0.04 0.93 0.68 1h1lC1 LEU 351 HD23 -0.19 -0.01 -0.02 -0.04 0.89 0.63 1h1lC1 TYR 352 H 0.01 0.65 0.21 -0.55 8.29 8.62 1h1lC1 TYR 352 HA -0.18 0.28 0.82 -0.75 4.56 4.73 1h1lC1 TYR 352 HB2 0.16 0.11 -0.24 -0.04 3.06 3.05 1h1lC1 TYR 352 HB3 0.12 -0.05 0.06 -0.04 2.98 3.07 1h1lC1 TYR 352 HD2 -0.01 -0.02 -0.09 -0.04 7.15 6.98 1h1lC1 TYR 352 HE2 0.16 0.01 -0.19 -0.04 6.85 6.79 1h1lC1 MET 353 H -0.51 0.42 0.22 -0.55 8.47 8.06 1h1lC1 MET 353 HA -0.18 0.18 0.77 -0.75 4.52 4.54 1h1lC1 MET 353 HB2 -0.31 0.01 0.04 -0.04 2.15 1.85 1h1lC1 MET 353 HB3 -0.48 -0.32 0.22 -0.04 2.03 1.40 1h1lC1 MET 353 HG2 -0.31 0.09 -0.19 -0.04 2.63 2.18 1h1lC1 MET 353 HG3 -0.25 0.02 -0.19 -0.04 2.56 2.11 1h1lC1 MET 353 HE3 -0.07 -0.01 -0.28 -0.04 2.10 1.70 1h1lC1 GLY 354 H -0.33 0.11 0.17 -0.55 8.43 7.84 1h1lC1 GLY 354 HA2 -0.60 0.10 0.45 -0.51 4.01 3.45 1h1lC1 GLY 354 HA3 -0.32 0.06 0.35 -0.51 4.01 3.58 1h1lC1 GLY 355 H -0.18 -0.07 0.21 -0.55 8.43 7.84 1h1lC1 GLY 355 HA2 -0.33 0.17 0.63 -0.51 4.01 3.97 1h1lC1 GLY 355 HA3 -0.13 0.07 0.29 -0.51 4.01 3.73 1h1lC1 LEU 356 H -0.02 -0.23 0.14 -0.55 8.37 7.72 1h1lC1 LEU 356 HA -0.01 0.32 0.99 -0.75 4.35 4.90 1h1lC1 LEU 356 HB2 -0.06 -0.06 -0.04 -0.04 1.64 1.44 1h1lC1 LEU 356 HB3 0.00 -0.06 0.12 -0.04 1.64 1.66 1h1lC1 LEU 356 HG -0.20 -0.01 -0.21 -0.04 1.64 1.18 1h1lC1 LEU 356 HD13 -0.59 -0.00 0.17 -0.04 0.93 0.47 1h1lC1 LEU 356 HD23 -0.13 0.00 -0.08 -0.04 0.89 0.65 1h1lC1 ARG 357 H -0.04 -0.11 0.20 -0.55 8.46 7.95 1h1lC1 ARG 357 HA 0.04 0.07 -0.05 -0.75 4.34 3.65 1h1lC1 ARG 357 HB2 -0.12 -0.09 0.10 -0.04 1.90 1.75 1h1lC1 ARG 357 HB3 -0.02 0.15 -0.06 -0.04 1.80 1.83 1h1lC1 ARG 357 HG2 0.28 0.04 0.01 -0.04 1.67 1.96 1h1lC1 ARG 357 HG3 0.11 -0.18 0.11 -0.04 1.67 1.67 1h1lC1 ARG 357 HD2 -0.13 -0.02 0.12 -0.04 3.22 3.15 1h1lC1 ARG 357 HD3 0.29 0.17 0.06 -0.04 3.22 3.70 1h1lC1 PRO 358 HA -0.24 0.13 0.44 -0.51 4.44 4.25 1h1lC1 PRO 358 HB2 -1.20 0.06 -0.31 -0.04 2.28 0.79 1h1lC1 PRO 358 HB3 -0.57 0.13 -0.08 -0.04 2.02 1.46 1h1lC1 PRO 358 HG2 -0.83 0.11 -0.17 -0.04 2.03 1.10 1h1lC1 PRO 358 HG3 -0.43 -0.04 0.01 -0.04 2.03 1.53 1h1lC1 PRO 358 HD2 -0.19 0.02 -0.45 -0.04 3.68 3.02 1h1lC1 PRO 358 HD3 -0.24 -0.14 0.05 -0.04 3.65 3.27 1h1lC1 ARG 359 H -0.10 0.16 -0.25 -0.55 8.46 7.72 1h1lC1 ARG 359 HA -0.07 0.26 0.80 -0.75 4.34 4.57 1h1lC1 ARG 359 HB2 0.02 0.13 -0.02 -0.04 1.90 1.99 1h1lC1 ARG 359 HB3 0.04 -0.01 -0.06 -0.04 1.80 1.73 1h1lC1 ARG 359 HG2 0.09 -0.03 0.06 -0.04 1.67 1.75 1h1lC1 ARG 359 HG3 0.12 0.00 -0.11 -0.04 1.67 1.64 1h1lC1 ARG 359 HD2 0.01 0.23 -0.27 -0.04 3.22 3.15 1h1lC1 ARG 359 HD3 0.02 0.07 -0.16 -0.04 3.22 3.11 1h1lC1 HIS 360 H 0.07 0.22 0.01 -0.55 8.41 8.16 1h1lC1 HIS 360 HA -0.04 0.11 0.16 -0.75 4.63 4.11 1h1lC1 HIS 360 HB2 -0.01 0.01 -0.06 -0.04 3.26 3.16 1h1lC1 HIS 360 HB3 0.00 -0.04 -0.09 -0.04 3.20 3.03 1h1lC1 HIS 360 HD2 -0.18 -0.11 0.01 -0.04 6.97 6.64 1h1lC1 HIS 360 HE1 -0.15 0.08 -0.02 -0.04 7.75 7.62 1h1lC1 VAL 361 H -0.18 0.46 -0.18 -0.55 8.24 7.79 1h1lC1 VAL 361 HA -0.53 0.07 0.68 -0.75 4.13 3.60 1h1lC1 VAL 361 HB -0.32 -0.00 0.04 -0.04 2.12 1.80 1h1lC1 VAL 361 HG13 -0.86 -0.01 -0.04 -0.04 0.97 0.01 1h1lC1 VAL 361 HG23 0.05 0.07 -0.16 -0.04 0.95 0.87 1h1lC1 ILE 362 H -0.06 0.46 -0.36 -0.55 8.25 7.74 1h1lC1 ILE 362 HA 0.07 0.03 0.34 -0.75 4.18 3.87 1h1lC1 ILE 362 HB -0.03 0.06 0.09 -0.04 1.89 1.98 1h1lC1 ILE 362 HG12 -0.06 -0.03 0.04 -0.04 1.49 1.39 1h1lC1 ILE 362 HG13 -0.06 -0.11 -0.01 -0.04 1.21 1.00 1h1lC1 ILE 362 HG23 -0.01 0.05 -0.06 -0.04 0.93 0.87 1h1lC1 ILE 362 HD13 -0.06 0.03 0.07 -0.04 0.88 0.89 1h1lC1 GLY 363 H -0.06 0.20 -0.17 -0.55 8.43 7.86 1h1lC1 GLY 363 HA2 -0.02 0.13 0.42 -0.51 4.01 4.03 1h1lC1 GLY 363 HA3 -0.05 0.03 0.29 -0.51 4.01 3.77 1h1lC1 ALA 364 H -0.13 0.17 -0.30 -0.55 8.40 7.59 1h1lC1 ALA 364 HA -0.05 -0.04 0.46 -0.75 4.34 3.95 1h1lC1 ALA 364 HB3 -0.51 0.02 -0.17 -0.04 1.41 0.71 1h1lC1 TYR 365 H 0.02 0.44 -0.13 -0.55 8.29 8.07 1h1lC1 TYR 365 HA 0.20 0.05 0.55 -0.75 4.56 4.61 1h1lC1 TYR 365 HB2 -0.01 0.12 0.07 -0.04 3.06 3.21 1h1lC1 TYR 365 HB3 0.02 0.02 -0.17 -0.04 2.98 2.81 1h1lC1 TYR 365 HD2 -0.00 0.09 -0.14 -0.04 7.15 7.05 1h1lC1 TYR 365 HE2 -0.03 -0.03 -0.13 -0.04 6.85 6.62 1h1lC1 GLU 366 H 0.10 0.46 -0.13 -0.55 8.60 8.49 1h1lC1 GLU 366 HA 0.07 0.20 0.48 -0.75 4.29 4.29 1h1lC1 GLU 366 HB2 0.02 -0.03 0.18 -0.04 2.09 2.21 1h1lC1 GLU 366 HB3 0.02 -0.03 0.12 -0.04 1.99 2.06 1h1lC1 GLU 366 HG2 0.04 0.13 0.06 -0.04 2.34 2.52 1h1lC1 GLU 366 HG3 0.04 0.30 0.10 -0.04 2.34 2.74 1h1lC1 ASP 367 H 0.06 0.48 -0.11 -0.55 8.40 8.29 1h1lC1 ASP 367 HA 0.04 0.04 0.45 -0.75 4.63 4.40 1h1lC1 ASP 367 HB2 0.07 0.08 0.16 -0.04 2.71 2.98 1h1lC1 ASP 367 HB3 0.01 -0.03 0.13 -0.04 2.70 2.77 1h1lC1 LEU 368 H 0.17 0.38 -0.52 -0.55 8.37 7.85 1h1lC1 LEU 368 HA 0.15 0.13 0.85 -0.75 4.35 4.72 1h1lC1 LEU 368 HB2 0.13 0.04 0.08 -0.04 1.64 1.85 1h1lC1 LEU 368 HB3 0.07 0.01 0.07 -0.04 1.64 1.74 1h1lC1 LEU 368 HG 0.30 0.04 -0.12 -0.04 1.64 1.82 1h1lC1 LEU 368 HD13 -0.16 -0.02 -0.04 -0.04 0.93 0.67 1h1lC1 LEU 368 HD23 0.09 0.01 -0.04 -0.04 0.89 0.90 1h1lC1 GLY 369 H 0.09 0.43 -0.27 -0.55 8.43 8.13 1h1lC1 GLY 369 HA2 0.04 0.02 0.35 -0.51 4.01 3.91 1h1lC1 GLY 369 HA3 0.05 0.03 0.44 -0.51 4.01 4.02 1h1lC1 MET 370 H 0.11 0.33 -0.27 -0.55 8.47 8.09 1h1lC1 MET 370 HA 0.03 0.19 0.73 -0.75 4.52 4.71 1h1lC1 MET 370 HB2 0.22 -0.10 -0.07 -0.04 2.15 2.16 1h1lC1 MET 370 HB3 0.04 -0.03 -0.05 -0.04 2.03 1.95 1h1lC1 MET 370 HG2 0.04 0.24 -0.11 -0.04 2.63 2.76 1h1lC1 MET 370 HG3 0.10 0.01 -0.28 -0.04 2.56 2.35 1h1lC1 MET 370 HE3 -0.01 0.04 -0.17 -0.04 2.10 1.91 1h1lC1 GLU 371 H -0.03 0.68 0.29 -0.55 8.60 8.99 1h1lC1 GLU 371 HA -0.02 0.16 0.99 -0.75 4.29 4.67 1h1lC1 GLU 371 HB2 -0.04 0.02 -0.05 -0.04 2.09 1.99 1h1lC1 GLU 371 HB3 -0.03 -0.00 -0.12 -0.04 1.99 1.80 1h1lC1 GLU 371 HG2 -0.01 -0.03 -0.09 -0.04 2.34 2.17 1h1lC1 GLU 371 HG3 -0.01 0.05 -0.42 -0.04 2.34 1.93 1h1lC1 ILE 372 H -0.05 0.17 0.14 -0.55 8.25 7.96 1h1lC1 ILE 372 HA -0.14 0.19 0.74 -0.75 4.18 4.21 1h1lC1 ILE 372 HB -0.07 -0.01 0.14 -0.04 1.89 1.92 1h1lC1 ILE 372 HG12 -0.06 0.05 0.06 -0.04 1.49 1.50 1h1lC1 ILE 372 HG13 -0.09 -0.02 0.01 -0.04 1.21 1.07 1h1lC1 ILE 372 HG23 -0.12 -0.02 -0.10 -0.04 0.93 0.66 1h1lC1 ILE 372 HD13 -0.23 -0.02 -0.25 -0.04 0.88 0.33 1h1lC1 ILE 373 H -0.10 0.64 0.39 -0.55 8.25 8.64 1h1lC1 ILE 373 HA -0.05 0.18 0.93 -0.75 4.18 4.48 1h1lC1 ILE 373 HB -0.06 -0.02 0.13 -0.04 1.89 1.91 1h1lC1 ILE 373 HG12 -0.09 -0.02 -0.15 -0.04 1.49 1.19 1h1lC1 ILE 373 HG13 -0.07 -0.03 -0.23 -0.04 1.21 0.84 1h1lC1 ILE 373 HG23 -0.06 0.02 -0.14 -0.04 0.93 0.71 1h1lC1 ILE 373 HD13 -0.07 0.01 -0.14 -0.04 0.88 0.64 1h1lC1 ALA 374 H -0.06 0.33 0.19 -0.55 8.40 8.30 1h1lC1 ALA 374 HA 0.02 0.28 0.58 -0.75 4.34 4.47 1h1lC1 ALA 374 HB3 0.07 0.02 0.06 -0.04 1.41 1.52 1h1lC1 ALA 375 H 0.01 0.68 0.28 -0.55 8.40 8.82 1h1lC1 ALA 375 HA -0.18 0.18 0.67 -0.75 4.34 4.25 1h1lC1 ALA 375 HB3 -0.17 0.01 0.03 -0.04 1.41 1.24 1h1lC1 GLY 376 H -0.37 0.49 0.32 -0.55 8.43 8.32 1h1lC1 GLY 376 HA2 -0.51 0.30 0.96 -0.51 4.01 4.24 1h1lC1 GLY 376 HA3 -1.17 -0.00 0.36 -0.51 4.01 2.69 1h1lC1 TYR 377 H 0.16 0.60 0.38 -0.55 8.29 8.88 1h1lC1 TYR 377 HA -0.46 0.21 1.07 -0.75 4.56 4.62 1h1lC1 TYR 377 HB2 -0.12 0.05 -0.01 -0.04 3.06 2.94 1h1lC1 TYR 377 HB3 -0.37 0.03 0.03 -0.04 2.98 2.64 1h1lC1 TYR 377 HD2 -0.42 -0.05 -0.43 -0.04 7.15 6.21 1h1lC1 TYR 377 HE2 -0.36 0.02 -0.47 -0.04 6.85 6.01 1h1lC1 GLU 378 H -0.40 0.40 0.55 -0.55 8.60 8.60 1h1lC1 GLU 378 HA 0.21 0.04 0.43 -0.75 4.29 4.22 1h1lC1 GLU 378 HB2 -0.22 -0.10 0.21 -0.04 2.09 1.95 1h1lC1 GLU 378 HB3 0.26 -0.05 -0.03 -0.04 1.99 2.12 1h1lC1 GLU 378 HG2 0.21 -0.01 -0.06 -0.04 2.34 2.43 1h1lC1 GLU 378 HG3 -0.33 0.16 -0.12 -0.04 2.34 2.01 1h1lC1 PHE 379 H -0.52 0.41 0.23 -0.55 8.34 7.91 1h1lC1 PHE 379 HA 0.14 0.32 0.97 -0.75 4.62 5.29 1h1lC1 PHE 379 HB2 0.09 -0.06 0.16 -0.04 3.15 3.29 1h1lC1 PHE 379 HB3 0.08 0.04 -0.11 -0.04 3.06 3.03 1h1lC1 PHE 379 HD2 0.06 0.06 -0.22 -0.04 7.28 7.13 1h1lC1 PHE 379 HE2 0.12 0.03 -0.12 -0.04 7.38 7.37 1h1lC1 PHE 379 HZ 0.09 -0.00 -0.10 -0.04 7.32 7.27 1h1lC1 ALA 380 H -0.13 0.08 0.07 -0.55 8.40 7.87 1h1lC1 ALA 380 HA -0.06 -0.00 0.54 -0.75 4.34 4.07 1h1lC1 ALA 380 HB3 -0.96 0.01 0.06 -0.04 1.41 0.49 1h1lC1 HIS 381 H 0.04 0.06 0.19 -0.55 8.41 8.15 1h1lC1 HIS 381 HA 0.12 0.28 0.77 -0.75 4.63 5.05 1h1lC1 HIS 381 HB2 0.07 -0.09 0.09 -0.04 3.26 3.29 1h1lC1 HIS 381 HB3 0.09 0.01 0.15 -0.04 3.20 3.41 1h1lC1 HIS 381 HD2 0.13 0.10 -0.34 -0.04 6.97 6.82 1h1lC1 HIS 381 HE1 0.18 0.03 -0.02 -0.04 7.75 7.90 1h1lC1 ASN 382 H 0.18 0.27 0.06 -0.55 8.53 8.50 1h1lC1 ASN 382 HA 0.30 0.12 0.31 -0.75 4.76 4.73 1h1lC1 ASN 382 HB2 0.09 0.01 0.11 -0.04 2.88 3.05 1h1lC1 ASN 382 HB3 0.08 0.04 -0.02 -0.04 2.79 2.85 1h1lC1 ASN 382 HD21 -0.04 0.44 0.01 -0.04 7.03 7.40 1h1lC1 ASN 382 HD22 0.01 -0.01 0.02 -0.04 7.74 7.72 1h1lC1 ASP 383 H 0.14 0.09 -0.25 -0.55 8.40 7.84 1h1lC1 ASP 383 HA 0.03 0.15 0.49 -0.75 4.63 4.55 1h1lC1 ASP 383 HB2 0.01 0.08 0.04 -0.04 2.71 2.80 1h1lC1 ASP 383 HB3 0.09 0.09 0.07 -0.04 2.70 2.90 1h1lC1 ASP 384 H -0.03 0.28 -0.29 -0.55 8.40 7.81 1h1lC1 ASP 384 HA -0.20 0.10 0.51 -0.75 4.63 4.28 1h1lC1 ASP 384 HB2 -0.56 0.18 0.14 -0.04 2.71 2.43 1h1lC1 ASP 384 HB3 -0.81 0.02 0.01 -0.04 2.70 1.89 1h1lC1 TYR 385 H -0.04 0.30 -0.18 -0.55 8.29 7.83 1h1lC1 TYR 385 HA 0.05 0.05 0.22 -0.75 4.56 4.12 1h1lC1 TYR 385 HB2 0.00 0.07 0.03 -0.04 3.06 3.11 1h1lC1 TYR 385 HB3 0.02 0.05 -0.11 -0.04 2.98 2.90 1h1lC1 TYR 385 HD2 0.04 0.02 -0.32 -0.04 7.15 6.85 1h1lC1 TYR 385 HE2 0.10 0.05 -0.29 -0.04 6.85 6.66 1h1lC1 ASP 386 H 0.08 0.52 -0.14 -0.55 8.40 8.31 1h1lC1 ASP 386 HA 0.04 0.02 0.36 -0.75 4.63 4.30 1h1lC1 ASP 386 HB2 -0.01 0.08 0.17 -0.04 2.71 2.90 1h1lC1 ASP 386 HB3 -0.01 0.14 0.06 -0.04 2.70 2.84 1h1lC1 ARG 387 H -0.07 0.29 -0.37 -0.55 8.46 7.76 1h1lC1 ARG 387 HA -0.07 0.07 0.31 -0.75 4.34 3.90 1h1lC1 ARG 387 HB2 -0.15 -0.03 0.26 -0.04 1.90 1.94 1h1lC1 ARG 387 HB3 -0.11 -0.08 0.13 -0.04 1.80 1.71 1h1lC1 ARG 387 HG2 -0.19 0.01 0.06 -0.04 1.67 1.50 1h1lC1 ARG 387 HG3 -0.20 0.07 0.07 -0.04 1.67 1.57 1h1lC1 ARG 387 HD2 -0.51 -0.07 -0.09 -0.04 3.22 2.51 1h1lC1 ARG 387 HD3 -0.40 -0.09 0.03 -0.04 3.22 2.72 1h1lC1 THR 388 H 0.01 0.33 -0.62 -0.55 8.28 7.45 1h1lC1 THR 388 HA 0.01 -0.02 0.10 -0.75 4.39 3.73 1h1lC1 THR 388 HB 0.10 0.14 -0.00 -0.04 4.32 4.52 1h1lC1 THR 388 HG23 0.01 -0.03 -0.14 -0.04 1.22 1.02 1h1lC1 LEU 389 H 0.02 0.36 -0.18 -0.55 8.37 8.03 1h1lC1 LEU 389 HA 0.02 -0.07 0.13 -0.75 4.35 3.67 1h1lC1 LEU 389 HB2 0.01 0.15 0.10 -0.04 1.64 1.85 1h1lC1 LEU 389 HB3 0.01 0.11 -0.02 -0.04 1.64 1.70 1h1lC1 LEU 389 HG 0.05 0.12 0.01 -0.04 1.64 1.78 1h1lC1 LEU 389 HD13 0.02 -0.02 -0.39 -0.04 0.93 0.49 1h1lC1 LEU 389 HD23 0.05 -0.05 -0.12 -0.04 0.89 0.73 1h1lC1 PRO 390 HA -0.01 0.12 0.42 -0.51 4.44 4.46 1h1lC1 PRO 390 HB2 -0.02 -0.02 -0.11 -0.04 2.28 2.09 1h1lC1 PRO 390 HB3 -0.02 -0.01 0.05 -0.04 2.02 2.00 1h1lC1 PRO 390 HG2 -0.02 -0.00 0.01 -0.04 2.03 1.98 1h1lC1 PRO 390 HG3 -0.02 0.03 0.05 -0.04 2.03 2.05 1h1lC1 PRO 390 HD2 -0.01 0.17 -0.38 -0.04 3.68 3.42 1h1lC1 PRO 390 HD3 -0.01 0.18 0.09 -0.04 3.65 3.88 1h1lC1 ASP 391 H -0.01 0.30 -0.30 -0.55 8.40 7.85 1h1lC1 ASP 391 HA -0.02 0.13 0.78 -0.75 4.63 4.77 1h1lC1 ASP 391 HB2 -0.01 0.07 0.07 -0.04 2.71 2.79 1h1lC1 ASP 391 HB3 -0.02 -0.08 0.12 -0.04 2.70 2.67 1h1lC1 LEU 392 H -0.01 0.45 -0.29 -0.55 8.37 7.98 1h1lC1 LEU 392 HA -0.02 0.12 0.97 -0.75 4.35 4.67 1h1lC1 LEU 392 HB2 -0.00 0.04 -0.06 -0.04 1.64 1.57 1h1lC1 LEU 392 HB3 -0.01 0.01 -0.05 -0.04 1.64 1.55 1h1lC1 LEU 392 HG -0.01 0.10 -0.21 -0.04 1.64 1.47 1h1lC1 LEU 392 HD13 0.01 -0.03 -0.21 -0.04 0.93 0.66 1h1lC1 LEU 392 HD23 -0.04 0.00 -0.12 -0.04 0.89 0.69 1h1lC1 LYS 393 H -0.02 0.13 0.12 -0.55 8.42 8.09 1h1lC1 LYS 393 HA -0.01 0.09 0.54 -0.75 4.32 4.18 1h1lC1 GLU 394 H -0.01 0.09 0.17 -0.55 8.60 8.30 1h1lC1 GLU 394 HA -0.01 0.12 0.37 -0.75 4.29 4.02 1h1lC1 GLU 394 HB2 -0.01 0.03 0.20 -0.04 2.09 2.28 1h1lC1 GLU 394 HB3 -0.01 -0.04 0.17 -0.04 1.99 2.07 1h1lC1 GLU 394 HG2 -0.01 -0.10 -0.04 -0.04 2.34 2.15 1h1lC1 GLU 394 HG3 -0.01 0.06 0.21 -0.04 2.34 2.57 1h1lC1 GLY 395 H -0.01 0.67 0.27 -0.55 8.43 8.81 1h1lC1 GLY 395 HA2 -0.02 -0.00 0.31 -0.51 4.01 3.79 1h1lC1 GLY 395 HA3 -0.02 -0.10 0.48 -0.51 4.01 3.87 1h1lC1 THR 396 H -0.02 0.34 -0.15 -0.55 8.28 7.91 1h1lC1 THR 396 HA -0.03 0.11 0.07 -0.75 4.39 3.79 1h1lC1 THR 396 HB -0.01 -0.08 -0.06 -0.04 4.32 4.12 1h1lC1 THR 396 HG23 -0.03 0.03 -0.42 -0.04 1.22 0.76 1h1lC1 LEU 397 H -0.04 0.33 0.20 -0.55 8.37 8.31 1h1lC1 LEU 397 HA -0.02 0.24 0.67 -0.75 4.35 4.48 1h1lC1 LEU 397 HB2 -0.16 0.04 0.18 -0.04 1.64 1.66 1h1lC1 LEU 397 HB3 -0.10 -0.01 0.31 -0.04 1.64 1.80 1h1lC1 LEU 397 HG -0.01 -0.03 -0.21 -0.04 1.64 1.35 1h1lC1 LEU 397 HD13 -0.24 0.04 -0.01 -0.04 0.93 0.68 1h1lC1 LEU 397 HD23 -1.20 -0.02 -0.03 -0.04 0.89 -0.41 1h1lC1 LEU 398 H 0.08 0.66 0.33 -0.55 8.37 8.89 1h1lC1 LEU 398 HA 0.06 0.30 0.97 -0.75 4.35 4.92 1h1lC1 LEU 398 HB2 0.06 0.03 -0.19 -0.04 1.64 1.50 1h1lC1 LEU 398 HB3 0.07 -0.01 0.00 -0.04 1.64 1.66 1h1lC1 LEU 398 HG 0.25 -0.04 -0.19 -0.04 1.64 1.62 1h1lC1 LEU 398 HD13 0.15 0.02 -0.09 -0.04 0.93 0.97 1h1lC1 LEU 398 HD23 0.16 -0.01 -0.17 -0.04 0.89 0.83 1h1lC1 PHE 399 H -0.22 0.45 0.44 -0.55 8.34 8.46 1h1lC1 PHE 399 HA 0.10 0.40 0.94 -0.75 4.62 5.30 1h1lC1 PHE 399 HB2 0.22 0.05 0.11 -0.04 3.15 3.49 1h1lC1 PHE 399 HB3 0.08 0.06 -0.26 -0.04 3.06 2.90 1h1lC1 PHE 399 HD2 0.10 0.03 -0.34 -0.04 7.28 7.03 1h1lC1 PHE 399 HE2 -0.12 -0.07 -0.17 -0.04 7.38 6.97 1h1lC1 PHE 399 HZ 0.10 -0.00 -0.18 -0.04 7.32 7.19 1h1lC1 ASP 400 H 0.39 0.67 0.35 -0.55 8.40 9.26 1h1lC1 ASP 400 HA 0.42 0.08 1.05 -0.75 4.63 5.43 1h1lC1 ASP 400 HB2 0.10 -0.03 -0.11 -0.04 2.71 2.62 1h1lC1 ASP 400 HB3 0.33 0.16 0.22 -0.04 2.70 3.37 1h1lC1 ASP 401 H 0.38 0.51 0.37 -0.55 8.40 9.11 1h1lC1 ASP 401 HA 0.36 -0.11 0.47 -0.75 4.63 4.60 1h1lC1 ASP 401 HB2 0.21 0.08 0.19 -0.04 2.71 3.15 1h1lC1 ASP 401 HB3 0.08 0.11 0.09 -0.04 2.70 2.95 1h1lC1 ALA 402 H 0.41 -0.01 -0.15 -0.55 8.40 8.11 1h1lC1 ALA 402 HA 0.09 0.17 0.41 -0.75 4.34 4.26 1h1lC1 ALA 402 HB3 -0.06 0.00 -0.02 -0.04 1.41 1.29 1h1lC1 SER 403 H 0.06 0.14 0.16 -0.55 8.46 8.28 1h1lC1 SER 403 HA 0.08 0.19 0.56 -0.75 4.49 4.56 1h1lC1 SER 403 HB2 0.09 0.28 0.15 -0.04 3.95 4.43 1h1lC1 SER 403 HB3 0.14 0.04 0.09 -0.04 3.93 4.15 1h1lC1 SER 404 H 0.05 0.54 0.24 -0.55 8.46 8.75 1h1lC1 SER 404 HA 0.02 -0.00 0.33 -0.75 4.49 4.09 1h1lC1 SER 404 HB2 0.03 0.07 0.15 -0.04 3.95 4.16 1h1lC1 SER 404 HB3 0.02 0.01 0.18 -0.04 3.93 4.11 1h1lC1 TYR 405 H 0.11 0.19 -0.07 -0.55 8.29 7.97 1h1lC1 TYR 405 HA -0.06 0.09 0.38 -0.75 4.56 4.22 1h1lC1 TYR 405 HB2 -0.10 0.04 0.07 -0.04 3.06 3.03 1h1lC1 TYR 405 HB3 -0.06 -0.09 -0.01 -0.04 2.98 2.78 1h1lC1 TYR 405 HD2 -0.02 -0.03 -0.16 -0.04 7.15 6.89 1h1lC1 TYR 405 HE2 -0.01 0.11 0.01 -0.04 6.85 6.91 1h1lC1 GLU 406 H 0.10 0.02 -0.29 -0.55 8.60 7.89 1h1lC1 GLU 406 HA -0.31 0.13 0.55 -0.75 4.29 3.90 1h1lC1 GLU 406 HB2 -0.21 -0.07 0.10 -0.04 2.09 1.87 1h1lC1 GLU 406 HB3 -0.78 0.05 -0.06 -0.04 1.99 1.16 1h1lC1 GLU 406 HG2 -0.03 0.11 -0.06 -0.04 2.34 2.32 1h1lC1 GLU 406 HG3 0.31 -0.06 -0.01 -0.04 2.34 2.54 1h1lC1 LEU 407 H -0.18 0.59 -0.10 -0.55 8.37 8.14 1h1lC1 LEU 407 HA -0.20 0.00 0.35 -0.75 4.35 3.75 1h1lC1 LEU 407 HB2 0.04 0.09 0.09 -0.04 1.64 1.83 1h1lC1 LEU 407 HB3 0.22 -0.01 -0.11 -0.04 1.64 1.70 1h1lC1 LEU 407 HG -0.23 -0.01 -0.11 -0.04 1.64 1.25 1h1lC1 LEU 407 HD13 -0.03 -0.03 -0.17 -0.04 0.93 0.66 1h1lC1 LEU 407 HD23 -0.17 -0.01 -0.10 -0.04 0.89 0.57 1h1lC1 GLU 408 H -0.04 0.68 -0.10 -0.55 8.60 8.60 1h1lC1 GLU 408 HA 0.37 0.02 0.34 -0.75 4.29 4.27 1h1lC1 GLU 408 HB2 -0.14 0.06 0.07 -0.04 2.09 2.04 1h1lC1 GLU 408 HB3 -0.01 0.02 -0.04 -0.04 1.99 1.91 1h1lC1 GLU 408 HG2 -0.14 0.01 -0.04 -0.04 2.34 2.13 1h1lC1 GLU 408 HG3 -0.06 -0.07 -0.00 -0.04 2.34 2.17 1h1lC1 ALA 409 H -0.29 0.48 -0.18 -0.55 8.40 7.86 1h1lC1 ALA 409 HA -0.12 0.03 0.49 -0.75 4.34 3.99 1h1lC1 ALA 409 HB3 -0.31 0.00 0.15 -0.04 1.41 1.20 1h1lC1 PHE 410 H -0.24 0.68 -0.09 -0.55 8.34 8.13 1h1lC1 PHE 410 HA -0.10 0.03 0.38 -0.75 4.62 4.17 1h1lC1 PHE 410 HB2 -0.20 0.07 0.13 -0.04 3.15 3.11 1h1lC1 PHE 410 HB3 -0.18 -0.04 0.01 -0.04 3.06 2.81 1h1lC1 PHE 410 HD2 -0.46 -0.03 -0.12 -0.04 7.28 6.62 1h1lC1 PHE 410 HE2 -0.80 -0.03 -0.13 -0.04 7.38 6.37 1h1lC1 PHE 410 HZ -0.23 0.02 -0.09 -0.04 7.32 6.98 1h1lC1 VAL 411 H 0.03 0.48 -0.18 -0.55 8.24 8.02 1h1lC1 VAL 411 HA -0.06 -0.03 0.20 -0.75 4.13 3.48 1h1lC1 VAL 411 HB 0.05 0.05 0.13 -0.04 2.12 2.30 1h1lC1 VAL 411 HG13 -0.07 0.01 -0.20 -0.04 0.97 0.67 1h1lC1 VAL 411 HG23 -0.51 -0.00 -0.02 -0.04 0.95 0.38 1h1lC1 LYS 412 H 0.02 0.60 -0.06 -0.55 8.42 8.43 1h1lC1 LYS 412 HA 0.02 0.04 0.39 -0.75 4.32 4.01 1h1lC1 LYS 412 HB2 -0.01 0.05 0.12 -0.04 1.87 1.98 1h1lC1 LYS 412 HB3 0.00 -0.04 0.04 -0.04 1.79 1.75 1h1lC1 LYS 412 HG2 0.03 -0.02 0.03 -0.04 1.46 1.47 1h1lC1 LYS 412 HG3 0.02 0.23 0.03 -0.04 1.46 1.70 1h1lC1 LYS 412 HD2 -0.04 -0.02 -0.03 -0.04 1.69 1.57 1h1lC1 LYS 412 HD3 -0.01 -0.00 -0.01 -0.04 1.68 1.62 1h1lC1 LYS 412 HE2 -0.01 -0.00 -0.05 -0.04 2.99 2.89 1h1lC1 LYS 412 HE3 -0.07 -0.06 -0.13 -0.04 2.99 2.69 1h1lC1 ALA 413 H 0.02 0.33 -0.31 -0.55 8.40 7.89 1h1lC1 ALA 413 HA 0.00 0.09 0.63 -0.75 4.34 4.30 1h1lC1 ALA 413 HB3 0.03 -0.03 0.05 -0.04 1.41 1.41 1h1lC1 LEU 414 H -0.01 0.76 0.13 -0.55 8.37 8.71 1h1lC1 LEU 414 HA -0.04 0.05 0.61 -0.75 4.35 4.22 1h1lC1 LEU 414 HB2 -0.05 0.01 -0.01 -0.04 1.64 1.55 1h1lC1 LEU 414 HB3 -0.06 -0.07 -0.05 -0.04 1.64 1.42 1h1lC1 LEU 414 HG -0.06 0.02 0.04 -0.04 1.64 1.60 1h1lC1 LEU 414 HD13 -0.14 -0.04 -0.06 -0.04 0.93 0.65 1h1lC1 LEU 414 HD23 -0.07 0.00 -0.02 -0.04 0.89 0.76 1h1lC1 LYS 415 H -0.03 0.48 -0.18 -0.55 8.42 8.13 1h1lC1 LYS 415 HA -0.04 0.08 0.30 -0.75 4.32 3.91 1h1lC1 LYS 415 HB2 -0.03 0.03 0.04 -0.04 1.87 1.87 1h1lC1 LYS 415 HB3 -0.03 -0.02 0.12 -0.04 1.79 1.81 1h1lC1 LYS 415 HG2 -0.01 0.13 -0.02 -0.04 1.46 1.51 1h1lC1 LYS 415 HG3 -0.02 0.06 -0.44 -0.04 1.46 1.02 1h1lC1 PRO 416 HA -0.09 0.04 0.36 -0.51 4.44 4.24 1h1lC1 PRO 416 HB2 -0.15 0.04 -0.18 -0.04 2.28 1.96 1h1lC1 PRO 416 HB3 -0.12 -0.10 -0.14 -0.04 2.02 1.62 1h1lC1 PRO 416 HG2 -0.16 0.06 -0.19 -0.04 2.03 1.70 1h1lC1 PRO 416 HG3 -0.15 -0.11 -0.08 -0.04 2.03 1.64 1h1lC1 PRO 416 HD2 -0.08 0.19 0.12 -0.04 3.68 3.87 1h1lC1 PRO 416 HD3 -0.08 0.00 -0.08 -0.04 3.65 3.45 1h1lC1 ASP 417 H -0.11 0.53 0.38 -0.55 8.40 8.65 1h1lC1 ASP 417 HA -0.13 0.17 0.51 -0.75 4.63 4.42 1h1lC1 ASP 417 HB2 -0.10 0.00 0.19 -0.04 2.71 2.76 1h1lC1 ASP 417 HB3 -0.10 0.03 0.09 -0.04 2.70 2.68 1h1lC1 LEU 418 H -0.16 0.28 0.19 -0.55 8.37 8.13 1h1lC1 LEU 418 HA -0.21 0.36 0.62 -0.75 4.35 4.37 1h1lC1 LEU 418 HB2 -0.13 0.14 -0.22 -0.04 1.64 1.38 1h1lC1 LEU 418 HB3 -0.15 -0.09 -0.08 -0.04 1.64 1.28 1h1lC1 LEU 418 HG -0.14 -0.11 -0.39 -0.04 1.64 0.96 1h1lC1 LEU 418 HD13 -0.10 0.03 -0.21 -0.04 0.93 0.61 1h1lC1 LEU 418 HD23 0.00 -0.02 -0.15 -0.04 0.89 0.69 1h1lC1 ILE 419 H -0.20 0.64 0.26 -0.55 8.25 8.39 1h1lC1 ILE 419 HA -0.24 0.26 1.11 -0.75 4.18 4.56 1h1lC1 ILE 419 HB -0.18 0.07 0.04 -0.04 1.89 1.78 1h1lC1 ILE 419 HG12 -0.28 -0.07 -0.05 -0.04 1.49 1.06 1h1lC1 ILE 419 HG13 -0.22 0.07 -0.47 -0.04 1.21 0.54 1h1lC1 ILE 419 HG23 -0.33 -0.06 -0.27 -0.04 0.93 0.24 1h1lC1 ILE 419 HD13 -0.57 0.01 -0.13 -0.04 0.88 0.14 1h1lC1 GLY 420 H -0.22 0.72 0.36 -0.55 8.43 8.74 1h1lC1 GLY 420 HA2 -0.35 0.36 0.98 -0.51 4.01 4.49 1h1lC1 GLY 420 HA3 -0.10 -0.04 0.38 -0.51 4.01 3.75 1h1lC1 SER 421 H -0.40 0.48 0.22 -0.55 8.46 8.21 1h1lC1 SER 421 HA 0.14 0.20 0.61 -0.75 4.49 4.68 1h1lC1 SER 421 HB2 0.13 0.14 -0.34 -0.04 3.95 3.84 1h1lC1 SER 421 HB3 0.39 0.04 -0.11 -0.04 3.93 4.21 1h1lC1 GLY 422 H 0.40 0.21 0.13 -0.55 8.43 8.63 1h1lC1 GLY 422 HA2 0.21 0.05 0.87 -0.51 4.01 4.62 1h1lC1 GLY 422 HA3 -0.03 0.02 0.26 -0.51 4.01 3.75 1h1lC1 ILE 423 H -0.07 0.16 0.21 -0.55 8.25 8.01 1h1lC1 ILE 423 HA -0.04 0.10 -0.05 -0.75 4.18 3.45 1h1lC1 ILE 423 HB 0.04 -0.03 0.15 -0.04 1.89 2.00 1h1lC1 ILE 423 HG12 0.13 0.08 0.00 -0.04 1.49 1.67 1h1lC1 ILE 423 HG13 0.13 0.04 -0.13 -0.04 1.21 1.21 1h1lC1 ILE 423 HG23 -0.00 0.02 0.07 -0.04 0.93 0.98 1h1lC1 ILE 423 HD13 0.20 0.01 0.03 -0.04 0.88 1.08 1h1lC1 LYS 424 H 0.02 -0.00 -0.05 -0.55 8.42 7.83 1h1lC1 LYS 424 HA 0.04 0.17 0.51 -0.75 4.32 4.28 1h1lC1 LYS 424 HB2 0.07 -0.07 0.03 -0.04 1.87 1.86 1h1lC1 LYS 424 HB3 0.04 0.09 0.05 -0.04 1.79 1.94 1h1lC1 LYS 424 HG2 0.03 0.07 0.03 -0.04 1.46 1.54 1h1lC1 LYS 424 HG3 0.02 -0.13 0.06 -0.04 1.46 1.37 1h1lC1 LYS 424 HD2 0.03 0.06 0.01 -0.04 1.69 1.74 1h1lC1 LYS 424 HD3 0.02 -0.00 0.00 -0.04 1.68 1.66 1h1lC1 LYS 424 HE2 0.08 -0.01 0.02 -0.04 2.99 3.04 1h1lC1 LYS 424 HE3 0.05 0.11 -0.00 -0.04 2.99 3.12 1h1lC1 GLU 425 H 0.10 0.17 -0.27 -0.55 8.60 8.05 1h1lC1 GLU 425 HA -0.02 0.19 0.72 -0.75 4.29 4.43 1h1lC1 GLU 425 HB2 0.49 0.03 -0.03 -0.04 2.09 2.54 1h1lC1 GLU 425 HB3 0.62 0.08 -0.07 -0.04 1.99 2.58 1h1lC1 GLU 425 HG2 0.44 0.03 -0.04 -0.04 2.34 2.73 1h1lC1 GLU 425 HG3 0.28 0.10 -0.10 -0.04 2.34 2.57 1h1lC1 LYS 426 H -0.33 0.27 -0.11 -0.55 8.42 7.70 1h1lC1 LYS 426 HA -2.50 0.05 0.18 -0.75 4.32 1.29 1h1lC1 LYS 426 HB2 -0.70 -0.10 -0.09 -0.04 1.87 0.93 1h1lC1 LYS 426 HB3 -0.86 0.09 0.04 -0.04 1.79 1.02 1h1lC1 LYS 426 HG2 -0.98 0.05 -0.40 -0.04 1.46 0.09 1h1lC1 LYS 426 HG3 -0.62 0.05 -0.12 -0.04 1.46 0.72 1h1lC1 LYS 426 HD2 -0.19 -0.15 -0.08 -0.04 1.69 1.22 1h1lC1 LYS 426 HD3 -0.82 0.01 -0.07 -0.04 1.68 0.76 1h1lC1 LYS 426 HE2 0.10 -0.01 -0.03 -0.04 2.99 3.00 1h1lC1 LYS 426 HE3 -0.04 0.06 -0.06 -0.04 2.99 2.90 1h1lC1 TYR 427 H -0.24 0.18 -0.28 -0.55 8.29 7.40 1h1lC1 TYR 427 HA -0.08 0.12 0.19 -0.75 4.56 4.05 1h1lC1 TYR 427 HB2 -0.08 0.02 0.07 -0.04 3.06 3.03 1h1lC1 TYR 427 HB3 -0.05 0.06 0.09 -0.04 2.98 3.03 1h1lC1 TYR 427 HD2 -0.03 0.05 -0.01 -0.04 7.15 7.12 1h1lC1 TYR 427 HE2 0.03 0.01 -0.03 -0.04 6.85 6.82 1h1lC1 ILE 428 H -0.21 0.15 -0.40 -0.55 8.25 7.25 1h1lC1 ILE 428 HA -0.14 0.08 0.20 -0.75 4.18 3.56 1h1lC1 ILE 428 HB -0.82 0.09 0.11 -0.04 1.89 1.23 1h1lC1 ILE 428 HG12 -0.16 0.01 -0.01 -0.04 1.49 1.29 1h1lC1 ILE 428 HG13 -0.17 -0.07 0.03 -0.04 1.21 0.96 1h1lC1 ILE 428 HG23 -0.50 0.00 -0.16 -0.04 0.93 0.24 1h1lC1 ILE 428 HD13 -0.20 -0.02 0.04 -0.04 0.88 0.66 1h1lC1 PHE 429 H -0.31 0.36 -0.06 -0.55 8.34 7.77 1h1lC1 PHE 429 HA 0.06 0.06 0.49 -0.75 4.62 4.48 1h1lC1 PHE 429 HB2 0.21 0.02 0.02 -0.04 3.15 3.35 1h1lC1 PHE 429 HB3 0.18 0.13 -0.04 -0.04 3.06 3.28 1h1lC1 PHE 429 HD2 0.20 0.01 -0.11 -0.04 7.28 7.35 1h1lC1 PHE 429 HE2 0.07 -0.05 -0.09 -0.04 7.38 7.28 1h1lC1 PHE 429 HZ 0.01 -0.08 -0.38 -0.04 7.32 6.83 1h1lC1 GLN 430 H 0.08 0.35 -0.22 -0.55 8.47 8.14 1h1lC1 GLN 430 HA 0.52 0.13 0.29 -0.75 4.36 4.55 1h1lC1 GLN 430 HB2 0.13 -0.01 0.06 -0.04 2.15 2.29 1h1lC1 GLN 430 HB3 0.22 0.00 -0.03 -0.04 2.02 2.17 1h1lC1 GLN 430 HG2 0.68 0.03 -0.01 -0.04 2.40 3.07 1h1lC1 GLN 430 HG3 0.14 0.06 0.02 -0.04 2.39 2.57 1h1lC1 GLN 430 HE21 0.16 -0.04 -0.02 -0.04 6.97 7.03 1h1lC1 GLN 430 HE22 0.32 0.04 0.02 -0.04 7.69 8.03 1h1lC1 LYS 431 H 0.09 0.30 -0.32 -0.55 8.42 7.93 1h1lC1 LYS 431 HA 0.10 0.07 0.35 -0.75 4.32 4.08 1h1lC1 LYS 431 HB2 0.02 0.12 0.20 -0.04 1.87 2.16 1h1lC1 LYS 431 HB3 0.03 -0.05 0.09 -0.04 1.79 1.82 1h1lC1 LYS 431 HG2 0.05 -0.02 0.01 -0.04 1.46 1.45 1h1lC1 LYS 431 HG3 0.06 0.20 0.11 -0.04 1.46 1.79 1h1lC1 LYS 431 HD2 0.00 -0.03 0.01 -0.04 1.69 1.64 1h1lC1 LYS 431 HD3 0.01 -0.02 0.02 -0.04 1.68 1.65 1h1lC1 LYS 431 HE2 0.04 0.02 0.01 -0.04 2.99 3.02 1h1lC1 LYS 431 HE3 -0.00 -0.07 -0.02 -0.04 2.99 2.85 1h1lC1 MET 432 H 0.12 0.23 -0.29 -0.55 8.47 7.99 1h1lC1 MET 432 HA 0.08 0.04 0.37 -0.75 4.52 4.26 1h1lC1 MET 432 HB2 0.23 0.05 0.12 -0.04 2.15 2.51 1h1lC1 MET 432 HB3 0.13 0.00 0.08 -0.04 2.03 2.20 1h1lC1 MET 432 HG2 0.05 -0.03 -0.02 -0.04 2.63 2.59 1h1lC1 MET 432 HG3 0.03 0.12 0.03 -0.04 2.56 2.70 1h1lC1 MET 432 HE3 0.14 0.03 -0.03 -0.04 2.10 2.20 1h1lC1 GLY 433 H 0.25 0.32 -0.57 -0.55 8.43 7.88 1h1lC1 GLY 433 HA2 0.47 0.02 0.28 -0.51 4.01 4.27 1h1lC1 GLY 433 HA3 0.19 0.06 0.58 -0.51 4.01 4.32 1h1lC1 VAL 434 H 0.12 0.43 -0.12 -0.55 8.24 8.12 1h1lC1 VAL 434 HA -0.29 0.33 0.89 -0.75 4.13 4.30 1h1lC1 VAL 434 HB 0.05 -0.21 -0.06 -0.04 2.12 1.86 1h1lC1 VAL 434 HG13 -0.17 0.06 -0.30 -0.04 0.97 0.52 1h1lC1 VAL 434 HG23 0.01 0.00 -0.25 -0.04 0.95 0.68 1h1lC1 PRO 435 HA -1.05 -0.05 0.39 -0.51 4.44 3.22 1h1lC1 PRO 435 HB2 -0.41 -0.01 0.15 -0.04 2.28 1.97 1h1lC1 PRO 435 HB3 -0.49 0.03 -0.09 -0.04 2.02 1.43 1h1lC1 PRO 435 HG2 -0.65 0.16 0.23 -0.04 2.03 1.73 1h1lC1 PRO 435 HG3 -2.28 0.03 0.13 -0.04 2.03 -0.12 1h1lC1 PRO 435 HD2 -0.51 0.23 0.23 -0.04 3.68 3.59 1h1lC1 PRO 435 HD3 -0.92 0.31 0.12 -0.04 3.65 3.13 1h1lC1 PHE 436 H 0.30 0.19 0.19 -0.55 8.34 8.46 1h1lC1 PHE 436 HA -0.01 0.22 0.98 -0.75 4.62 5.06 1h1lC1 PHE 436 HB2 0.11 0.21 -0.18 -0.04 3.15 3.25 1h1lC1 PHE 436 HB3 0.15 -0.04 0.03 -0.04 3.06 3.15 1h1lC1 PHE 436 HD2 0.14 0.03 -0.44 -0.04 7.28 6.96 1h1lC1 PHE 436 HE2 0.20 -0.10 -0.37 -0.04 7.38 7.06 1h1lC1 PHE 436 HZ 0.14 -0.20 -0.31 -0.04 7.32 6.91 1h1lC1 ARG 437 H -0.36 0.72 0.32 -0.55 8.46 8.59 1h1lC1 ARG 437 HA 0.21 0.20 0.98 -0.75 4.34 4.98 1h1lC1 ARG 437 HB2 0.03 -0.03 0.02 -0.04 1.90 1.88 1h1lC1 ARG 437 HB3 0.15 -0.03 -0.14 -0.04 1.80 1.74 1h1lC1 ARG 437 HG2 0.03 0.01 -0.33 -0.04 1.67 1.34 1h1lC1 ARG 437 HG3 -0.01 0.01 -0.15 -0.04 1.67 1.48 1h1lC1 ARG 437 HD2 0.14 0.10 -0.05 -0.04 3.22 3.37 1h1lC1 ARG 437 HD3 0.05 0.16 -0.10 -0.04 3.22 3.29 1h1lC1 GLN 438 H 0.24 0.25 0.06 -0.55 8.47 8.47 1h1lC1 GLN 438 HA 0.35 0.20 0.70 -0.75 4.36 4.85 1h1lC1 GLN 438 HB2 0.06 0.13 0.21 -0.04 2.15 2.51 1h1lC1 GLN 438 HB3 0.05 -0.35 0.14 -0.04 2.02 1.82 1h1lC1 GLN 438 HG2 0.22 -0.07 -0.06 -0.04 2.40 2.45 1h1lC1 GLN 438 HG3 0.15 0.19 -0.03 -0.04 2.39 2.65 1h1lC1 GLN 438 HE21 -0.01 0.09 -0.01 -0.04 6.97 7.00 1h1lC1 GLN 438 HE22 0.00 0.14 -0.00 -0.04 7.69 7.79 1h1lC1 MET 439 H 0.20 0.71 0.36 -0.55 8.47 9.19 1h1lC1 MET 439 HA 0.57 0.21 0.74 -0.75 4.52 5.29 1h1lC1 MET 439 HB2 0.10 0.00 -0.07 -0.04 2.15 2.14 1h1lC1 MET 439 HB3 0.31 -0.05 0.07 -0.04 2.03 2.31 1h1lC1 MET 439 HG2 0.13 0.21 -0.19 -0.04 2.63 2.74 1h1lC1 MET 439 HG3 0.19 0.03 -0.07 -0.04 2.56 2.67 1h1lC1 MET 439 HE3 0.39 -0.01 -0.08 -0.04 2.10 2.36 1h1lC1 HIS 440 H 0.21 0.04 -0.03 -0.55 8.41 8.08 1h1lC1 HIS 440 HA -0.33 0.18 0.97 -0.75 4.63 4.70 1h1lC1 HIS 440 HB2 -0.10 0.00 0.14 -0.04 3.26 3.26 1h1lC1 HIS 440 HB3 -0.15 0.04 0.06 -0.04 3.20 3.11 1h1lC1 HIS 440 HD2 -0.01 0.03 0.02 -0.04 6.97 6.97 1h1lC1 HIS 440 HE1 0.03 0.13 -0.03 -0.04 7.75 7.84 1h1lC1 SER 441 H -0.05 0.02 0.02 -0.55 8.46 7.90 1h1lC1 SER 441 HA -0.32 0.18 0.50 -0.75 4.49 4.09 1h1lC1 SER 441 HB2 -0.11 0.14 0.16 -0.04 3.95 4.09 1h1lC1 SER 441 HB3 -0.08 0.04 0.11 -0.04 3.93 3.95 1h1lC1 TRP 442 H -0.06 0.03 -0.50 -0.55 7.97 6.89 1h1lC1 TRP 442 HA -0.03 0.20 0.22 -0.75 4.62 4.26 1h1lC1 TRP 442 HB2 -0.29 0.26 -0.20 -0.04 3.23 2.96 1h1lC1 TRP 442 HB3 -0.66 0.00 -0.07 -0.04 3.23 2.46 1h1lC1 TRP 442 HD1 -0.35 0.19 -0.31 -0.04 7.22 6.71 1h1lC1 TRP 442 HE1 -0.25 -0.04 -0.03 -0.04 10.20 9.84 1h1lC1 TRP 442 HE3 0.14 0.11 -0.07 -0.04 7.59 7.73 1h1lC1 TRP 442 HZ2 0.28 -0.12 -0.05 -0.04 7.44 7.51 1h1lC1 TRP 442 HZ3 0.21 0.01 -0.01 -0.04 7.13 7.30 1h1lC1 TRP 442 HH2 0.36 -0.07 -0.04 -0.04 7.19 7.40 1h1lC1 ASP 443 H -0.09 -0.15 -0.25 -0.55 8.40 7.36 1h1lC1 ASP 443 HA -0.54 -0.04 0.21 -0.75 4.63 3.50 1h1lC1 ASP 443 HB2 0.12 -0.02 -0.24 -0.04 2.71 2.53 1h1lC1 ASP 443 HB3 0.08 0.14 0.27 -0.04 2.70 3.16 1h1lC1 TYR 444 H -0.42 0.10 -0.25 -0.55 8.29 7.18 1h1lC1 TYR 444 HA 0.09 -0.02 0.30 -0.75 4.56 4.16 1h1lC1 TYR 444 HB2 0.09 0.17 0.19 -0.04 3.06 3.47 1h1lC1 TYR 444 HB3 0.09 -0.02 0.17 -0.04 2.98 3.18 1h1lC1 TYR 444 HD2 0.09 0.10 -0.08 -0.04 7.15 7.23 1h1lC1 TYR 444 HE2 0.09 0.02 -0.02 -0.04 6.85 6.90 1h1lC1 SER 445 H 0.09 0.13 -0.61 -0.55 8.46 7.52 1h1lC1 SER 445 HA 0.10 0.19 0.72 -0.75 4.49 4.74 1h1lC1 SER 445 HB2 0.11 0.07 -0.07 -0.04 3.95 4.02 1h1lC1 SER 445 HB3 0.09 0.16 0.11 -0.04 3.93 4.25 1h1lC1 GLY 446 H -0.07 0.10 0.05 -0.55 8.43 7.96 1h1lC1 GLY 446 HA2 -0.45 0.08 0.01 -0.51 4.01 3.14 1h1lC1 GLY 446 HA3 -0.25 -0.02 0.45 -0.51 4.01 3.68 1h1lC1 PRO 447 HA -0.13 0.08 0.31 -0.51 4.44 4.19 1h1lC1 PRO 447 HB2 -0.02 -0.11 -0.15 -0.04 2.28 1.96 1h1lC1 PRO 447 HB3 -0.01 -0.07 -0.46 -0.04 2.02 1.44 1h1lC1 PRO 447 HG2 0.06 -0.03 -0.15 -0.04 2.03 1.87 1h1lC1 PRO 447 HG3 0.10 0.01 -0.07 -0.04 2.03 2.03 1h1lC1 PRO 447 HD2 0.08 0.11 0.23 -0.04 3.68 4.06 1h1lC1 PRO 447 HD3 0.10 0.25 0.26 -0.04 3.65 4.22 1h1lC1 TYR 448 H -0.27 -0.02 0.13 -0.55 8.29 7.58 1h1lC1 TYR 448 HA -0.20 0.43 1.03 -0.75 4.56 5.06 1h1lC1 TYR 448 HB2 -0.83 -0.09 -0.03 -0.04 3.06 2.07 1h1lC1 TYR 448 HB3 -0.28 0.00 -0.00 -0.04 2.98 2.66 1h1lC1 TYR 448 HD2 -1.05 0.10 -0.07 -0.04 7.15 6.09 1h1lC1 TYR 448 HE2 -0.08 0.03 -0.18 -0.04 6.85 6.58 1h1lC1 HIS 449 H -0.08 -0.14 0.07 -0.55 8.41 7.71 1h1lC1 HIS 449 HA -0.31 0.20 0.64 -0.75 4.63 4.41 1h1lC1 HIS 449 HB2 -0.07 0.06 -0.04 -0.04 3.26 3.16 1h1lC1 HIS 449 HB3 -0.09 0.03 -0.06 -0.04 3.20 3.04 1h1lC1 HIS 449 HD2 -0.91 0.05 -0.17 -0.04 6.97 5.89 1h1lC1 HIS 449 HE1 -0.25 -0.08 -0.04 -0.04 7.75 7.33 1h1lC1 GLY 450 H -0.16 0.63 0.28 -0.55 8.43 8.63 1h1lC1 GLY 450 HA2 -0.60 0.04 0.29 -0.51 4.01 3.23 1h1lC1 GLY 450 HA3 -0.20 0.22 0.48 -0.51 4.01 4.00 1h1lC1 TYR 451 H -0.46 0.20 0.15 -0.55 8.29 7.63 1h1lC1 TYR 451 HA -0.10 0.09 0.63 -0.75 4.56 4.43 1h1lC1 TYR 451 HB2 -0.65 -0.00 0.15 -0.04 3.06 2.51 1h1lC1 TYR 451 HB3 -0.15 0.07 0.02 -0.04 2.98 2.88 1h1lC1 TYR 451 HD2 -0.72 0.00 0.02 -0.04 7.15 6.41 1h1lC1 TYR 451 HE2 -0.23 0.02 -0.07 -0.04 6.85 6.53 1h1lC1 ASP 452 H 0.04 0.11 -0.03 -0.55 8.40 7.97 1h1lC1 ASP 452 HA 0.14 0.11 0.40 -0.75 4.63 4.52 1h1lC1 ASP 452 HB2 0.09 -0.02 0.07 -0.04 2.71 2.81 1h1lC1 ASP 452 HB3 0.10 0.07 0.01 -0.04 2.70 2.85 1h1lC1 GLY 453 H 0.05 0.17 -0.50 -0.55 8.43 7.60 1h1lC1 GLY 453 HA2 0.08 0.30 0.27 -0.51 4.01 4.15 1h1lC1 GLY 453 HA3 0.07 -0.03 -0.39 -0.51 4.01 3.15 1h1lC1 PHE 454 H 0.19 0.39 -0.36 -0.55 8.34 8.01 1h1lC1 PHE 454 HA -0.03 0.01 0.53 -0.75 4.62 4.37 1h1lC1 PHE 454 HB2 -0.04 -0.06 0.11 -0.04 3.15 3.13 1h1lC1 PHE 454 HB3 0.05 0.11 0.11 -0.04 3.06 3.29 1h1lC1 PHE 454 HD2 -0.05 -0.01 0.01 -0.04 7.28 7.18 1h1lC1 PHE 454 HE2 0.01 0.09 0.02 -0.04 7.38 7.46 1h1lC1 PHE 454 HZ 0.05 0.15 -0.11 -0.04 7.32 7.36 1h1lC1 ALA 455 H 0.12 0.33 -0.24 -0.55 8.40 8.07 1h1lC1 ALA 455 HA -0.13 0.06 0.48 -0.75 4.34 3.99 1h1lC1 ALA 455 HB3 0.07 0.05 0.07 -0.04 1.41 1.56 1h1lC1 ILE 456 H 0.02 0.25 -0.30 -0.55 8.25 7.67 1h1lC1 ILE 456 HA -0.03 0.06 0.34 -0.75 4.18 3.79 1h1lC1 ILE 456 HB 0.14 0.22 0.21 -0.04 1.89 2.42 1h1lC1 ILE 456 HG12 0.05 -0.03 -0.02 -0.04 1.49 1.45 1h1lC1 ILE 456 HG13 0.06 0.03 0.05 -0.04 1.21 1.31 1h1lC1 ILE 456 HG23 0.15 -0.01 -0.06 -0.04 0.93 0.96 1h1lC1 ILE 456 HD13 0.07 0.03 -0.22 -0.04 0.88 0.72 1h1lC1 PHE 457 H -0.05 0.60 -0.06 -0.55 8.34 8.28 1h1lC1 PHE 457 HA -1.07 -0.04 0.31 -0.75 4.62 3.07 1h1lC1 PHE 457 HB2 -0.95 -0.05 0.12 -0.04 3.15 2.22 1h1lC1 PHE 457 HB3 -0.51 0.09 0.20 -0.04 3.06 2.80 1h1lC1 PHE 457 HD2 -1.08 0.01 -0.11 -0.04 7.28 6.07 1h1lC1 PHE 457 HE2 -0.57 0.05 -0.19 -0.04 7.38 6.63 1h1lC1 PHE 457 HZ -2.02 0.01 -0.18 -0.04 7.32 5.08 1h1lC1 ALA 458 H -0.48 0.59 -0.15 -0.55 8.40 7.81 1h1lC1 ALA 458 HA -0.67 0.01 0.47 -0.75 4.34 3.41 1h1lC1 ALA 458 HB3 -0.65 0.02 0.11 -0.04 1.41 0.86 1h1lC1 ARG 459 H -0.56 0.54 -0.11 -0.55 8.46 7.78 1h1lC1 ARG 459 HA -0.75 0.03 0.35 -0.75 4.34 3.22 1h1lC1 ARG 459 HB2 -0.26 0.05 0.14 -0.04 1.90 1.79 1h1lC1 ARG 459 HB3 -0.19 0.08 0.16 -0.04 1.80 1.82 1h1lC1 ARG 459 HG2 -0.07 -0.03 -0.17 -0.04 1.67 1.35 1h1lC1 ARG 459 HG3 -0.02 -0.01 0.02 -0.04 1.67 1.62 1h1lC1 ARG 459 HD2 0.02 -0.02 -0.03 -0.04 3.22 3.15 1h1lC1 ARG 459 HD3 -0.01 -0.01 -0.02 -0.04 3.22 3.14 1h1lC1 ASP 460 H -0.29 0.66 -0.12 -0.55 8.40 8.11 1h1lC1 ASP 460 HA -0.07 0.03 0.53 -0.75 4.63 4.37 1h1lC1 ASP 460 HB2 -0.23 0.06 0.12 -0.04 2.71 2.62 1h1lC1 ASP 460 HB3 -0.01 -0.08 -0.05 -0.04 2.70 2.51 1h1lC1 MET 461 H -0.55 0.63 -0.12 -0.55 8.47 7.88 1h1lC1 MET 461 HA -0.22 -0.04 0.39 -0.75 4.52 3.89 1h1lC1 MET 461 HB2 -0.54 0.10 0.10 -0.04 2.15 1.77 1h1lC1 MET 461 HB3 -0.25 0.01 -0.06 -0.04 2.03 1.68 1h1lC1 MET 461 HG2 -1.73 0.17 -0.02 -0.04 2.63 1.02 1h1lC1 MET 461 HG3 -0.81 -0.04 -0.08 -0.04 2.56 1.60 1h1lC1 MET 461 HE3 -0.44 0.00 -0.11 -0.04 2.10 1.51 1h1lC1 ASP 462 H -0.25 0.53 -0.13 -0.55 8.40 7.99 1h1lC1 ASP 462 HA -0.02 0.09 0.48 -0.75 4.63 4.43 1h1lC1 ASP 462 HB2 0.06 0.03 0.10 -0.04 2.71 2.85 1h1lC1 ASP 462 HB3 -0.05 0.08 0.14 -0.04 2.70 2.83 1h1lC1 MET 463 H -0.05 0.46 -0.21 -0.55 8.47 8.12 1h1lC1 MET 463 HA 0.06 0.00 0.24 -0.75 4.52 4.07 1h1lC1 MET 463 HB2 0.02 -0.02 0.12 -0.04 2.15 2.23 1h1lC1 MET 463 HB3 -0.00 0.10 0.25 -0.04 2.03 2.34 1h1lC1 MET 463 HG2 0.09 0.02 -0.39 -0.04 2.63 2.30 1h1lC1 MET 463 HG3 0.06 -0.05 -0.01 -0.04 2.56 2.52 1h1lC1 MET 463 HE3 0.03 -0.01 -0.04 -0.04 2.10 2.05 1h1lC1 THR 464 H 0.04 0.35 -0.36 -0.55 8.28 7.76 1h1lC1 THR 464 HA 0.28 0.05 0.51 -0.75 4.39 4.48 1h1lC1 THR 464 HB 0.08 0.05 0.07 -0.04 4.32 4.47 1h1lC1 THR 464 HG23 0.28 0.02 -0.14 -0.04 1.22 1.34 1h1lC1 LEU 465 H 0.02 0.55 0.04 -0.55 8.37 8.43 1h1lC1 LEU 465 HA -0.14 0.03 0.45 -0.75 4.35 3.94 1h1lC1 LEU 465 HB2 -0.06 -0.08 0.13 -0.04 1.64 1.59 1h1lC1 LEU 465 HB3 -0.01 0.04 0.13 -0.04 1.64 1.76 1h1lC1 LEU 465 HG -0.05 0.04 -0.09 -0.04 1.64 1.50 1h1lC1 LEU 465 HD13 -0.16 -0.05 0.05 -0.04 0.93 0.73 1h1lC1 LEU 465 HD23 -0.04 -0.01 -0.01 -0.04 0.89 0.79 1h1lC1 ASN 466 H 0.09 0.55 -0.22 -0.55 8.53 8.40 1h1lC1 ASN 466 HA 0.11 0.22 0.80 -0.75 4.76 5.14 1h1lC1 ASN 466 HB2 0.07 0.07 0.06 -0.04 2.88 3.04 1h1lC1 ASN 466 HB3 0.07 -0.10 0.14 -0.04 2.79 2.86 1h1lC1 ASN 466 HD21 0.03 0.40 0.03 -0.04 7.03 7.45 1h1lC1 ASN 466 HD22 0.05 -0.10 0.04 -0.04 7.74 7.68 1h1lC1 ASN 467 H 0.30 0.27 -0.40 -0.55 8.53 8.15 1h1lC1 ASN 467 HA 0.09 0.02 0.53 -0.75 4.76 4.66 1h1lC1 ASN 467 HB2 0.25 0.24 0.25 -0.04 2.88 3.58 1h1lC1 ASN 467 HB3 0.00 -0.14 0.01 -0.04 2.79 2.62 1h1lC1 ASN 467 HD21 0.01 -0.11 0.06 -0.04 7.03 6.95 1h1lC1 ASN 467 HD22 0.07 0.30 0.12 -0.04 7.74 8.20 1h1lC1 PRO 468 HA 0.05 0.14 0.25 -0.51 4.44 4.37 1h1lC1 PRO 468 HB2 -0.01 -0.01 0.05 -0.04 2.28 2.27 1h1lC1 PRO 468 HB3 0.02 0.03 0.14 -0.04 2.02 2.16 1h1lC1 PRO 468 HG2 -0.00 -0.02 0.12 -0.04 2.03 2.09 1h1lC1 PRO 468 HG3 0.02 0.05 0.12 -0.04 2.03 2.18 1h1lC1 PRO 468 HD2 0.02 0.05 0.27 -0.04 3.68 3.97 1h1lC1 PRO 468 HD3 0.05 0.26 0.28 -0.04 3.65 4.21 1h1lC1 ALA 469 H -0.13 0.10 -0.25 -0.55 8.40 7.57 1h1lC1 ALA 469 HA -0.12 0.04 0.18 -0.75 4.34 3.69 1h1lC1 ALA 469 HB3 -0.37 0.01 0.03 -0.04 1.41 1.03 1h1lC1 TRP 470 H -0.11 0.40 -0.27 -0.55 7.97 7.44 1h1lC1 TRP 470 HA 0.02 0.02 0.38 -0.75 4.62 4.29 1h1lC1 TRP 470 HB2 0.02 0.14 0.07 -0.04 3.23 3.42 1h1lC1 TRP 470 HB3 0.02 0.05 0.14 -0.04 3.23 3.39 1h1lC1 TRP 470 HD1 0.02 0.17 0.03 -0.04 7.22 7.40 1h1lC1 TRP 470 HE1 0.04 0.21 0.17 -0.04 10.20 10.58 1h1lC1 TRP 470 HE3 0.04 0.05 -0.04 -0.04 7.59 7.60 1h1lC1 TRP 470 HZ2 0.09 -0.11 0.03 -0.04 7.44 7.41 1h1lC1 TRP 470 HZ3 0.06 0.11 -0.10 -0.04 7.13 7.16 1h1lC1 TRP 470 HH2 0.10 -0.09 -0.13 -0.04 7.19 7.03 1h1lC1 ASN 471 H 0.10 0.43 -0.28 -0.55 8.53 8.24 1h1lC1 ASN 471 HA 0.09 0.12 0.70 -0.75 4.76 4.91 1h1lC1 ASN 471 HB2 0.04 0.12 0.14 -0.04 2.88 3.14 1h1lC1 ASN 471 HB3 0.04 -0.07 0.18 -0.04 2.79 2.90 1h1lC1 ASN 471 HD21 0.09 0.04 -0.04 -0.04 7.03 7.09 1h1lC1 ASN 471 HD22 0.06 -0.04 0.04 -0.04 7.74 7.77 1h1lC1 GLU 472 H 0.02 0.40 -0.36 -0.55 8.60 8.12 1h1lC1 GLU 472 HA -0.03 0.19 0.48 -0.75 4.29 4.17 1h1lC1 GLU 472 HB2 -0.06 0.23 0.08 -0.04 2.09 2.30 1h1lC1 GLU 472 HB3 -0.05 -0.09 0.06 -0.04 1.99 1.88 1h1lC1 GLU 472 HG2 -0.02 0.08 -0.18 -0.04 2.34 2.18 1h1lC1 GLU 472 HG3 -0.04 -0.10 -0.08 -0.04 2.34 2.09 1h1lC1 LEU 473 H 0.03 0.22 -0.11 -0.55 8.37 7.97 1h1lC1 LEU 473 HA -0.02 0.02 0.31 -0.75 4.35 3.91 1h1lC1 LEU 473 HB2 0.06 0.03 0.09 -0.04 1.64 1.78 1h1lC1 LEU 473 HB3 0.04 -0.02 0.03 -0.04 1.64 1.64 1h1lC1 LEU 473 HG 0.20 0.09 0.09 -0.04 1.64 1.97 1h1lC1 LEU 473 HD13 0.10 0.01 0.02 -0.04 0.93 1.03 1h1lC1 LEU 473 HD23 0.13 0.03 0.03 -0.04 0.89 1.03 1h1lC1 THR 474 H -0.04 0.14 -0.25 -0.55 8.28 7.57 1h1lC1 THR 474 HA -0.12 0.11 0.77 -0.75 4.39 4.40 1h1lC1 THR 474 HB -0.07 0.04 0.01 -0.04 4.32 4.26 1h1lC1 THR 474 HG23 -0.13 0.05 -0.05 -0.04 1.22 1.05 1h1lC1 ALA 475 H -0.34 0.07 0.15 -0.55 8.40 7.74 1h1lC1 ALA 475 HA -0.54 0.14 0.41 -0.75 4.34 3.60 1h1lC1 ALA 475 HB3 -1.60 -0.02 0.08 -0.04 1.41 -0.16 1h1lC1 PRO 476 HA -0.09 0.18 0.35 -0.51 4.44 4.37 1h1lC1 PRO 476 HB2 0.11 -0.00 -0.05 -0.04 2.28 2.30 1h1lC1 PRO 476 HB3 0.01 0.06 0.13 -0.04 2.02 2.18 1h1lC1 PRO 476 HG2 0.30 -0.05 0.08 -0.04 2.03 2.32 1h1lC1 PRO 476 HG3 0.08 0.04 0.09 -0.04 2.03 2.20 1h1lC1 PRO 476 HD2 -0.56 0.02 0.24 -0.04 3.68 3.34 1h1lC1 PRO 476 HD3 -0.18 0.25 0.22 -0.04 3.65 3.91 1h1lC1 TRP 477 H -0.15 0.03 -0.28 -0.55 7.97 7.01 1h1lC1 TRP 477 HA 0.01 0.13 0.61 -0.75 4.62 4.61 1h1lC1 TRP 477 HB2 0.01 -0.01 0.12 -0.04 3.23 3.31 1h1lC1 TRP 477 HB3 0.01 -0.03 0.06 -0.04 3.23 3.23 1h1lC1 TRP 477 HD1 0.01 0.00 -0.18 -0.04 7.22 7.00 1h1lC1 TRP 477 HE1 0.01 -0.01 -0.05 -0.04 10.20 10.10 1h1lC1 TRP 477 HE3 0.01 0.00 0.01 -0.04 7.59 7.56 1h1lC1 TRP 477 HZ2 0.00 -0.00 -0.00 -0.04 7.44 7.40 1h1lC1 TRP 477 HZ3 0.00 0.02 0.02 -0.04 7.13 7.13 1h1lC1 TRP 477 HH2 0.00 0.01 0.01 -0.04 7.19 7.17 1h1lC1 LEU 478 H -0.25 0.52 -0.49 -0.55 8.37 7.60 1h1lC1 LEU 478 HA 0.03 0.17 0.66 -0.75 4.35 4.45 1h1lC1 LEU 478 HB2 -0.20 0.16 0.05 -0.04 1.64 1.60 1h1lC1 LEU 478 HB3 -0.07 -0.02 0.05 -0.04 1.64 1.56 1h1lC1 LEU 478 HG -0.55 -0.10 -0.21 -0.04 1.64 0.73 1h1lC1 LEU 478 HD13 -0.15 -0.02 0.03 -0.04 0.93 0.75 1h1lC1 LEU 478 HD23 0.13 0.03 -0.06 -0.04 0.89 0.95