============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 99 rings ring int. center anis. iso. TRP 14 1.040 37.374 -35.429 94.467 -99.200 -91.000 TRP6 14 1.020 35.313 -36.536 94.097 -99.200 -91.000 TYR 21 0.840 41.679 -39.333 105.438 -99.200 -91.000 PHE 26 1.000 26.229 -40.564 97.963 -99.200 -91.000 TRP 44 1.040 35.306 -24.732 83.145 -99.200 -91.000 TRP6 44 1.020 37.458 -25.604 83.617 -99.200 -91.000 PHE 46 1.000 44.405 -27.269 81.035 -99.200 -91.000 HIS 54 0.900 45.926 -37.170 79.859 -99.200 -91.000 TYR 66 0.840 45.628 -27.121 93.199 -99.200 -91.000 HIS 68 0.900 46.288 -36.760 87.628 -99.200 -91.000 PHE 71 1.000 58.034 -39.682 80.976 -99.200 -91.000 PHE 76 1.000 49.362 -28.148 82.685 -99.200 -91.000 TRP 88 1.040 50.563 -23.302 90.883 -99.200 -91.000 TRP6 88 1.020 51.067 -25.615 90.866 -99.200 -91.000 TYR 113 0.840 45.258 -28.898 99.832 -99.200 -91.000 TRP 114 1.040 49.982 -31.621 105.463 -99.200 -91.000 TRP6 114 1.020 51.377 -29.792 105.988 -99.200 -91.000 TRP 145 1.040 58.847 -32.405 100.851 -99.200 -91.000 TRP6 145 1.020 58.231 -34.552 100.072 -99.200 -91.000 TYR 163 0.840 44.605 -42.086 101.014 -99.200 -91.000 TYR 183 0.840 60.019 -49.969 97.558 -99.200 -91.000 TYR 187 0.840 59.183 -40.902 101.256 -99.200 -91.000 TRP 196 1.040 55.189 -45.875 108.241 -99.200 -91.000 TRP6 196 1.020 54.115 -47.183 106.581 -99.200 -91.000 TYR 199 0.840 61.305 -53.607 101.675 -99.200 -91.000 PHE 213 1.000 50.072 -60.236 109.898 -99.200 -91.000 HIS 219 0.900 41.174 -68.318 110.114 -99.200 -91.000 TYR 220 0.840 42.110 -64.043 107.650 -99.200 -91.000 TRP 230 1.040 57.663 -66.003 98.666 -99.200 -91.000 TRP6 230 1.020 57.369 -65.274 96.416 -99.200 -91.000 TRP 235 1.040 62.768 -64.401 100.193 -99.200 -91.000 TRP6 235 1.020 63.881 -62.424 100.848 -99.200 -91.000 TRP 243 1.040 49.883 -51.887 90.475 -99.200 -91.000 TRP6 243 1.020 47.879 -51.788 89.207 -99.200 -91.000 TRP 245 1.040 42.334 -46.643 93.108 -99.200 -91.000 TRP6 245 1.020 42.778 -44.416 92.438 -99.200 -91.000 TYR 246 0.840 47.787 -46.246 99.602 -99.200 -91.000 TYR 248 0.840 43.603 -42.669 108.580 -99.200 -91.000 TYR 256 0.840 41.307 -50.285 106.853 -99.200 -91.000 PHE 257 1.000 48.684 -51.369 101.803 -99.200 -91.000 TRP 265 1.040 52.742 -61.682 84.703 -99.200 -91.000 TRP6 265 1.020 51.155 -61.015 83.081 -99.200 -91.000 TRP 276 1.040 52.674 -62.041 104.553 -99.200 -91.000 TRP6 276 1.020 50.472 -62.773 105.070 -99.200 -91.000 PHE 281 1.000 49.863 -56.847 104.151 -99.200 -91.000 PHE 292 1.000 42.739 -55.963 108.522 -99.200 -91.000 TYR 294 0.840 41.352 -63.312 102.825 -99.200 -91.000 HIS 299 0.900 51.721 -71.209 92.924 -99.200 -91.000 TRP 302 1.040 44.639 -68.150 87.071 -99.200 -91.000 TRP6 302 1.020 44.638 -68.631 89.395 -99.200 -91.000 TYR 304 0.840 42.828 -63.947 88.423 -99.200 -91.000 HIS 328 0.900 40.390 -55.187 97.366 -99.200 -91.000 TYR 336 0.840 38.207 -61.605 98.226 -99.200 -91.000 PHE 358 1.000 40.364 -68.390 93.015 -99.200 -91.000 TYR 374 0.840 37.969 -73.523 83.609 -99.200 -91.000 HIS 380 0.900 47.239 -76.839 80.680 -99.200 -91.000 TYR 392 0.840 34.957 -61.775 84.758 -99.200 -91.000 HIS 393 0.900 36.778 -53.205 89.966 -99.200 -91.000 HIS 397 0.900 37.987 -44.609 94.432 -99.200 -91.000 TYR 400 0.840 28.226 -47.867 100.698 -99.200 -91.000 PHE 407 1.000 30.001 -51.367 98.642 -99.200 -91.000 PHE 408 1.000 25.239 -47.232 92.675 -99.200 -91.000 HIS 413 0.900 31.459 -61.113 80.811 -99.200 -91.000 TRP 418 1.040 49.132 -68.055 81.794 -99.200 -91.000 TRP6 418 1.020 48.984 -65.982 82.923 -99.200 -91.000 PHE 421 1.000 57.712 -66.717 77.720 -99.200 -91.000 TYR 425 0.840 65.452 -60.166 88.468 -99.200 -91.000 PHE 430 1.000 58.611 -54.859 80.661 -99.200 -91.000 PHE 431 1.000 61.424 -63.083 86.720 -99.200 -91.000 TYR 439 0.840 39.181 -65.686 74.902 -99.200 -91.000 TYR 449 0.840 38.130 -60.492 69.708 -99.200 -91.000 TYR 458 0.840 28.281 -57.143 96.079 -99.200 -91.000 TYR 465 0.840 26.527 -58.520 91.769 -99.200 -91.000 TRP 467 1.040 21.094 -50.774 89.058 -99.200 -91.000 TRP6 467 1.020 23.003 -49.954 87.934 -99.200 -91.000 PHE 473 1.000 35.403 -50.915 73.051 -99.200 -91.000 TRP 476 1.040 41.344 -49.644 82.760 -99.200 -91.000 TRP6 476 1.020 41.521 -51.979 82.468 -99.200 -91.000 PHE 488 1.000 26.784 -37.832 86.900 -99.200 -91.000 TYR 489 0.840 29.011 -45.855 83.268 -99.200 -91.000 TYR 495 0.840 29.469 -42.336 73.733 -99.200 -91.000 TRP 508 1.040 23.485 -36.104 79.709 -99.200 -91.000 TRP6 508 1.020 25.719 -36.252 80.470 -99.200 -91.000 PHE 510 1.000 29.071 -33.598 75.407 -99.200 -91.000 TYR 519 0.840 38.401 -40.831 90.838 -99.200 -91.000 TYR 523 0.840 34.215 -28.368 90.619 -99.200 -91.000 HIS 525 0.900 34.076 -21.196 91.659 -99.200 -91.000 TYR 530 0.840 30.784 -25.482 87.517 -99.200 -91.000 TYR 534 0.840 42.243 -35.747 84.730 -99.200 -91.000 TYR 535 0.840 39.706 -34.404 76.625 -99.200 -91.000 TRP 540 1.040 47.243 -54.627 80.013 -99.200 -91.000 TRP6 540 1.020 46.899 -56.289 81.668 -99.200 -91.000 PHE 547 1.000 52.998 -47.278 74.276 -99.200 -91.000 PHE 562 1.000 40.128 -53.843 75.930 -99.200 -91.000 TYR 568 0.840 33.228 -48.554 68.348 -99.200 -91.000 PHE 578 1.000 30.265 -33.141 80.475 -99.200 -91.000 TYR 586 0.840 35.860 -18.118 80.686 -99.200 -91.000 TRP 594 1.040 45.182 -7.226 76.431 -99.200 -91.000 TRP6 594 1.020 44.982 -5.294 75.065 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1h4iC1 ASN 1 HA 0.13 -0.07 0.35 -0.75 4.76 4.42 1h4iC1 ASN 1 HB2 0.19 0.21 0.14 -0.04 2.88 3.38 1h4iC1 ASN 1 HB3 0.20 0.04 0.16 -0.04 2.79 3.16 1h4iC1 ASN 1 HD21 0.05 -0.01 0.01 -0.04 7.03 7.03 1h4iC1 ASN 1 HD22 0.36 0.59 0.07 -0.04 7.74 8.72 1h4iC1 ASP 2 H 0.11 0.15 0.16 -0.55 8.40 8.27 1h4iC1 ASP 2 HA 0.13 0.13 0.58 -0.75 4.63 4.72 1h4iC1 ASP 2 HB2 0.07 -0.02 0.15 -0.04 2.71 2.86 1h4iC1 ASP 2 HB3 0.06 0.05 -0.03 -0.04 2.70 2.74 1h4iC1 LYS 3 H 0.04 0.09 -0.06 -0.55 8.42 7.93 1h4iC1 LYS 3 HA 0.01 0.11 0.53 -0.75 4.32 4.21 1h4iC1 LYS 3 HB2 -0.06 -0.05 0.14 -0.04 1.87 1.85 1h4iC1 LYS 3 HB3 -0.08 0.08 -0.01 -0.04 1.79 1.74 1h4iC1 LYS 3 HG2 -0.09 0.07 0.03 -0.04 1.46 1.43 1h4iC1 LYS 3 HG3 -0.04 -0.03 0.06 -0.04 1.46 1.41 1h4iC1 LYS 3 HD2 -0.14 0.14 0.01 -0.04 1.69 1.66 1h4iC1 LYS 3 HD3 -0.06 -0.08 0.02 -0.04 1.68 1.52 1h4iC1 LYS 3 HE2 -0.14 -0.16 0.03 -0.04 2.99 2.68 1h4iC1 LYS 3 HE3 -0.42 0.03 -0.02 -0.04 2.99 2.54 1h4iC1 LEU 4 H 0.06 0.08 -0.21 -0.55 8.37 7.75 1h4iC1 LEU 4 HA 0.03 0.05 0.41 -0.75 4.35 4.09 1h4iC1 LEU 4 HB2 0.11 0.15 0.17 -0.04 1.64 2.03 1h4iC1 LEU 4 HB3 -0.10 0.04 0.04 -0.04 1.64 1.58 1h4iC1 LEU 4 HG 0.03 -0.16 0.10 -0.04 1.64 1.57 1h4iC1 LEU 4 HD13 0.07 0.06 0.13 -0.04 0.93 1.14 1h4iC1 LEU 4 HD23 0.11 0.03 0.03 -0.04 0.89 1.02 1h4iC1 VAL 5 H 0.15 0.41 -0.17 -0.55 8.24 8.08 1h4iC1 VAL 5 HA 0.08 -0.00 0.42 -0.75 4.13 3.87 1h4iC1 VAL 5 HB 0.12 0.10 0.19 -0.04 2.12 2.50 1h4iC1 VAL 5 HG13 0.11 -0.02 -0.05 -0.04 0.97 0.97 1h4iC1 VAL 5 HG23 0.34 0.10 0.10 -0.04 0.95 1.45 1h4iC1 GLU 6 H 0.05 0.43 -0.18 -0.55 8.60 8.36 1h4iC1 GLU 6 HA 0.04 0.02 0.47 -0.75 4.29 4.06 1h4iC1 GLU 6 HB2 0.03 0.10 0.25 -0.04 2.09 2.43 1h4iC1 GLU 6 HB3 0.03 -0.04 -0.00 -0.04 1.99 1.94 1h4iC1 GLU 6 HG2 0.04 0.06 0.09 -0.04 2.34 2.49 1h4iC1 GLU 6 HG3 0.03 -0.04 0.05 -0.04 2.34 2.34 1h4iC1 LEU 7 H 0.03 0.65 0.00 -0.55 8.37 8.50 1h4iC1 LEU 7 HA 0.02 -0.04 0.44 -0.75 4.35 4.03 1h4iC1 LEU 7 HB2 0.03 0.10 0.23 -0.04 1.64 1.95 1h4iC1 LEU 7 HB3 0.02 -0.06 0.09 -0.04 1.64 1.66 1h4iC1 LEU 7 HG 0.03 0.11 0.07 -0.04 1.64 1.81 1h4iC1 LEU 7 HD13 0.13 -0.02 -0.04 -0.04 0.93 0.96 1h4iC1 LEU 7 HD23 0.04 -0.02 0.05 -0.04 0.89 0.91 1h4iC1 SER 8 H -0.01 0.61 -0.18 -0.55 8.46 8.33 1h4iC1 SER 8 HA -0.06 0.02 0.38 -0.75 4.49 4.07 1h4iC1 SER 8 HB2 -0.13 0.04 0.26 -0.04 3.95 4.08 1h4iC1 SER 8 HB3 -0.11 0.08 0.22 -0.04 3.93 4.08 1h4iC1 LYS 9 H 0.01 0.51 -0.56 -0.55 8.42 7.83 1h4iC1 LYS 9 HA 0.02 0.13 0.91 -0.75 4.32 4.63 1h4iC1 LYS 9 HB2 0.03 0.09 0.16 -0.04 1.87 2.10 1h4iC1 LYS 9 HB3 0.03 -0.03 0.12 -0.04 1.79 1.86 1h4iC1 LYS 9 HG2 0.04 -0.01 0.09 -0.04 1.46 1.53 1h4iC1 LYS 9 HG3 0.04 -0.05 0.08 -0.04 1.46 1.48 1h4iC1 LYS 9 HD2 0.04 -0.05 0.09 -0.04 1.69 1.73 1h4iC1 LYS 9 HD3 0.03 -0.03 0.20 -0.04 1.68 1.84 1h4iC1 LYS 9 HE2 0.03 0.20 0.17 -0.04 2.99 3.35 1h4iC1 LYS 9 HE3 0.05 -0.04 0.09 -0.04 2.99 3.04 1h4iC1 SER 10 H 0.02 0.61 -0.01 -0.55 8.46 8.53 1h4iC1 SER 10 HA 0.04 0.06 0.82 -0.75 4.49 4.65 1h4iC1 SER 10 HB2 0.03 0.05 0.16 -0.04 3.95 4.15 1h4iC1 SER 10 HB3 0.04 0.12 0.25 -0.04 3.93 4.30 1h4iC1 ASP 11 H 0.05 0.14 0.21 -0.55 8.40 8.25 1h4iC1 ASP 11 HA 0.09 0.27 0.68 -0.75 4.63 4.91 1h4iC1 ASP 11 HB2 0.05 -0.02 0.10 -0.04 2.71 2.80 1h4iC1 ASP 11 HB3 0.06 -0.05 0.12 -0.04 2.70 2.79 1h4iC1 ASP 12 H 0.08 0.00 -0.23 -0.55 8.40 7.71 1h4iC1 ASP 12 HA 0.20 0.12 0.72 -0.75 4.63 4.91 1h4iC1 ASP 12 HB2 0.08 -0.05 0.06 -0.04 2.71 2.77 1h4iC1 ASP 12 HB3 0.12 0.00 0.12 -0.04 2.70 2.90 1h4iC1 ASN 13 H 0.11 0.31 -0.32 -0.55 8.53 8.08 1h4iC1 ASN 13 HA 0.09 0.25 0.99 -0.75 4.76 5.34 1h4iC1 ASN 13 HB2 0.04 0.15 0.06 -0.04 2.88 3.09 1h4iC1 ASN 13 HB3 0.02 0.03 0.15 -0.04 2.79 2.95 1h4iC1 ASN 13 HD21 0.02 -0.12 0.02 -0.04 7.03 6.92 1h4iC1 ASN 13 HD22 0.01 0.10 0.07 -0.04 7.74 7.87 1h4iC1 TRP 14 H 0.16 0.69 0.14 -0.55 7.97 8.42 1h4iC1 TRP 14 HA 0.03 0.11 0.68 -0.75 4.62 4.69 1h4iC1 TRP 14 HB2 0.05 0.18 0.11 -0.04 3.23 3.52 1h4iC1 TRP 14 HB3 -0.01 -0.12 0.28 -0.04 3.23 3.33 1h4iC1 TRP 14 HD1 0.06 -0.05 -0.06 -0.04 7.22 7.14 1h4iC1 TRP 14 HE1 0.20 -0.06 0.12 -0.04 10.20 10.42 1h4iC1 TRP 14 HE3 0.08 0.30 0.24 -0.04 7.59 8.17 1h4iC1 TRP 14 HZ2 0.25 -0.00 0.08 -0.04 7.44 7.73 1h4iC1 TRP 14 HZ3 0.05 -0.05 0.05 -0.04 7.13 7.14 1h4iC1 TRP 14 HH2 0.11 0.08 0.09 -0.04 7.19 7.43 1h4iC1 VAL 15 H -0.06 0.22 0.13 -0.55 8.24 7.98 1h4iC1 VAL 15 HA 0.05 0.19 0.86 -0.75 4.13 4.47 1h4iC1 VAL 15 HB 0.08 -0.02 0.16 -0.04 2.12 2.29 1h4iC1 VAL 15 HG13 -0.04 -0.02 -0.00 -0.04 0.97 0.87 1h4iC1 VAL 15 HG23 -0.06 0.02 0.01 -0.04 0.95 0.88 1h4iC1 MET 16 H -0.02 0.22 0.01 -0.55 8.47 8.14 1h4iC1 MET 16 HA 0.16 0.16 0.67 -0.75 4.52 4.76 1h4iC1 MET 16 HB2 -0.11 -0.04 -0.17 -0.04 2.15 1.79 1h4iC1 MET 16 HB3 -0.00 0.10 0.12 -0.04 2.03 2.21 1h4iC1 MET 16 HG2 -0.02 -0.06 -0.58 -0.04 2.63 1.94 1h4iC1 MET 16 HG3 -0.21 -0.05 -0.03 -0.04 2.56 2.23 1h4iC1 MET 16 HE3 -0.17 0.05 0.19 -0.04 2.10 2.13 1h4iC1 PRO 17 HA 0.53 0.04 0.59 -0.51 4.44 5.09 1h4iC1 PRO 17 HB2 0.69 -0.00 0.15 -0.04 2.28 3.07 1h4iC1 PRO 17 HB3 0.83 0.05 0.18 -0.04 2.02 3.03 1h4iC1 PRO 17 HG2 0.51 0.16 0.07 -0.04 2.03 2.73 1h4iC1 PRO 17 HG3 0.42 0.14 0.13 -0.04 2.03 2.68 1h4iC1 PRO 17 HD2 0.32 0.01 0.28 -0.04 3.68 4.25 1h4iC1 PRO 17 HD3 0.26 0.19 0.36 -0.04 3.65 4.41 1h4iC1 GLY 18 H 0.19 0.18 0.30 -0.55 8.43 8.54 1h4iC1 GLY 18 HA2 -0.77 0.10 0.45 -0.51 4.01 3.27 1h4iC1 GLY 18 HA3 -0.05 0.19 0.57 -0.51 4.01 4.22 1h4iC1 LYS 19 H -0.19 0.53 -0.23 -0.55 8.42 7.98 1h4iC1 LYS 19 HA -1.42 0.02 0.50 -0.75 4.32 2.66 1h4iC1 LYS 19 HB2 -0.52 0.09 -0.24 -0.04 1.87 1.16 1h4iC1 LYS 19 HB3 -0.40 -0.09 0.38 -0.04 1.79 1.64 1h4iC1 LYS 19 HG2 -3.35 0.04 0.13 -0.04 1.46 -1.76 1h4iC1 LYS 19 HG3 -0.77 -0.07 0.05 -0.04 1.46 0.62 1h4iC1 LYS 19 HD2 -0.38 -0.03 0.06 -0.04 1.69 1.30 1h4iC1 LYS 19 HD3 -0.70 0.03 0.17 -0.04 1.68 1.14 1h4iC1 LYS 19 HE2 -0.10 -0.03 0.04 -0.04 2.99 2.86 1h4iC1 LYS 19 HE3 -0.13 0.26 0.04 -0.04 2.99 3.12 1h4iC1 ASN 20 H -0.12 0.33 0.14 -0.55 8.53 8.33 1h4iC1 ASN 20 HA -0.19 0.22 0.82 -0.75 4.76 4.85 1h4iC1 ASN 20 HB2 0.03 -0.12 0.24 -0.04 2.88 2.98 1h4iC1 ASN 20 HB3 -0.08 0.20 0.08 -0.04 2.79 2.95 1h4iC1 ASN 20 HD21 0.05 -0.03 0.17 -0.04 7.03 7.18 1h4iC1 ASN 20 HD22 -0.04 0.17 0.10 -0.04 7.74 7.94 1h4iC1 TYR 21 H 0.08 0.16 0.21 -0.55 8.29 8.19 1h4iC1 TYR 21 HA 0.32 0.19 0.53 -0.75 4.56 4.86 1h4iC1 TYR 21 HB2 0.19 -0.07 0.21 -0.04 3.06 3.35 1h4iC1 TYR 21 HB3 0.33 0.27 0.20 -0.04 2.98 3.74 1h4iC1 TYR 21 HD2 0.29 -0.02 0.04 -0.04 7.15 7.41 1h4iC1 TYR 21 HE2 -0.11 0.11 0.04 -0.04 6.85 6.84 1h4iC1 ASP 22 H 0.20 -0.00 -0.07 -0.55 8.40 7.98 1h4iC1 ASP 22 HA 0.18 0.08 0.53 -0.75 4.63 4.67 1h4iC1 ASP 22 HB2 0.13 -0.10 0.13 -0.04 2.71 2.82 1h4iC1 ASP 22 HB3 0.12 0.16 0.05 -0.04 2.70 2.98 1h4iC1 SER 23 H 0.18 0.11 -0.34 -0.55 8.46 7.86 1h4iC1 SER 23 HA 0.19 0.17 0.49 -0.75 4.49 4.58 1h4iC1 SER 23 HB2 0.25 -0.01 -0.17 -0.04 3.95 3.97 1h4iC1 SER 23 HB3 0.19 0.06 0.48 -0.04 3.93 4.63 1h4iC1 ASN 24 H 0.13 -0.12 0.06 -0.55 8.53 8.05 1h4iC1 ASN 24 HA 0.23 0.12 0.48 -0.75 4.76 4.83 1h4iC1 ASN 24 HB2 0.13 -0.08 0.24 -0.04 2.88 3.13 1h4iC1 ASN 24 HB3 0.26 -0.05 -0.04 -0.04 2.79 2.92 1h4iC1 ASN 24 HD21 0.12 -0.02 0.05 -0.04 7.03 7.15 1h4iC1 ASN 24 HD22 0.15 0.01 0.09 -0.04 7.74 7.95 1h4iC1 ASN 25 H 0.04 0.25 0.16 -0.55 8.53 8.44 1h4iC1 ASN 25 HA 0.14 -0.01 0.35 -0.75 4.76 4.49 1h4iC1 ASN 25 HB2 0.24 0.24 -0.14 -0.04 2.88 3.18 1h4iC1 ASN 25 HB3 0.29 -0.11 0.46 -0.04 2.79 3.40 1h4iC1 ASN 25 HD21 -0.92 -0.17 0.17 -0.04 7.03 6.06 1h4iC1 ASN 25 HD22 0.09 0.50 0.27 -0.04 7.74 8.55 1h4iC1 PHE 26 H 0.19 0.02 -0.09 -0.55 8.34 7.91 1h4iC1 PHE 26 HA 0.16 0.41 1.13 -0.75 4.62 5.57 1h4iC1 PHE 26 HB2 0.10 0.27 0.04 -0.04 3.15 3.52 1h4iC1 PHE 26 HB3 0.06 -0.12 0.10 -0.04 3.06 3.06 1h4iC1 PHE 26 HD2 0.07 -0.02 -0.20 -0.04 7.28 7.09 1h4iC1 PHE 26 HE2 0.05 -0.02 -0.19 -0.04 7.38 7.18 1h4iC1 PHE 26 HZ 0.02 -0.05 -0.13 -0.04 7.32 7.13 1h4iC1 SER 27 H -0.66 0.60 0.48 -0.55 8.46 8.33 1h4iC1 SER 27 HA -0.09 0.21 1.04 -0.75 4.49 4.89 1h4iC1 SER 27 HB2 0.07 0.12 -0.00 -0.04 3.95 4.10 1h4iC1 SER 27 HB3 -0.12 -0.00 0.15 -0.04 3.93 3.91 1h4iC1 ASP 28 H -0.04 0.24 0.22 -0.55 8.40 8.27 1h4iC1 ASP 28 HA -0.02 0.09 0.63 -0.75 4.63 4.58 1h4iC1 ASP 28 HB2 0.04 0.03 0.11 -0.04 2.71 2.84 1h4iC1 ASP 28 HB3 0.05 0.01 0.11 -0.04 2.70 2.83 1h4iC1 LEU 29 H -0.05 0.03 -0.14 -0.55 8.37 7.65 1h4iC1 LEU 29 HA -0.02 0.05 0.44 -0.75 4.35 4.07 1h4iC1 LEU 29 HB2 -0.04 0.03 0.05 -0.04 1.64 1.65 1h4iC1 LEU 29 HB3 -0.04 -0.09 -0.01 -0.04 1.64 1.45 1h4iC1 LEU 29 HG 0.01 -0.01 0.05 -0.04 1.64 1.65 1h4iC1 LEU 29 HD13 0.01 0.03 -0.12 -0.04 0.93 0.81 1h4iC1 LEU 29 HD23 -0.01 -0.00 -0.03 -0.04 0.89 0.81 1h4iC1 LYS 30 H -0.02 0.13 0.11 -0.55 8.42 8.07 1h4iC1 LYS 30 HA -0.03 0.23 0.52 -0.75 4.32 4.29 1h4iC1 LYS 30 HB2 -0.01 -0.02 0.06 -0.04 1.87 1.86 1h4iC1 LYS 30 HB3 -0.00 0.06 -0.46 -0.04 1.79 1.35 1h4iC1 LYS 30 HG2 -0.00 0.00 -0.03 -0.04 1.46 1.39 1h4iC1 LYS 30 HG3 -0.00 -0.02 -0.06 -0.04 1.46 1.33 1h4iC1 LYS 30 HD2 0.02 0.18 -0.02 -0.04 1.69 1.82 1h4iC1 LYS 30 HD3 0.02 0.04 -0.01 -0.04 1.68 1.70 1h4iC1 LYS 30 HE2 0.01 -0.03 0.00 -0.04 2.99 2.93 1h4iC1 LYS 30 HE3 0.02 -0.00 0.02 -0.04 2.99 2.98 1h4iC1 GLN 31 H -0.05 0.04 -0.03 -0.55 8.47 7.88 1h4iC1 GLN 31 HA -0.05 0.11 0.41 -0.75 4.36 4.08 1h4iC1 GLN 31 HB2 -0.07 -0.01 0.13 -0.04 2.15 2.16 1h4iC1 GLN 31 HB3 -0.10 -0.05 0.11 -0.04 2.02 1.95 1h4iC1 GLN 31 HG2 -0.09 0.03 -0.06 -0.04 2.40 2.24 1h4iC1 GLN 31 HG3 -0.07 0.05 0.09 -0.04 2.39 2.42 1h4iC1 GLN 31 HE21 -0.10 0.24 0.35 -0.04 6.97 7.41 1h4iC1 GLN 31 HE22 -0.07 -0.01 0.10 -0.04 7.69 7.67 1h4iC1 ILE 32 H -0.07 0.05 -0.21 -0.55 8.25 7.47 1h4iC1 ILE 32 HA -0.08 0.12 0.51 -0.75 4.18 3.96 1h4iC1 ILE 32 HB -0.05 -0.03 -0.02 -0.04 1.89 1.75 1h4iC1 ILE 32 HG12 -0.14 0.03 -0.12 -0.04 1.49 1.21 1h4iC1 ILE 32 HG13 -0.13 -0.14 -0.11 -0.04 1.21 0.79 1h4iC1 ILE 32 HG23 -0.06 0.02 -0.25 -0.04 0.93 0.60 1h4iC1 ILE 32 HD13 -0.21 0.06 -0.19 -0.04 0.88 0.50 1h4iC1 ASN 33 H -0.06 0.15 0.07 -0.55 8.53 8.15 1h4iC1 ASN 33 HA -0.03 0.23 0.80 -0.75 4.76 5.00 1h4iC1 ASN 33 HB2 -0.02 -0.03 0.20 -0.04 2.88 2.98 1h4iC1 ASN 33 HB3 -0.02 0.16 -0.09 -0.04 2.79 2.79 1h4iC1 ASN 33 HD21 -0.03 -0.03 -0.00 -0.04 7.03 6.93 1h4iC1 ASN 33 HD22 -0.03 0.47 -0.12 -0.04 7.74 8.02 1h4iC1 LYS 34 H -0.04 0.50 0.21 -0.55 8.42 8.54 1h4iC1 LYS 34 HA -0.08 0.05 0.34 -0.75 4.32 3.87 1h4iC1 LYS 34 HB2 -0.06 0.00 0.12 -0.04 1.87 1.89 1h4iC1 LYS 34 HB3 -0.07 0.10 0.10 -0.04 1.79 1.88 1h4iC1 LYS 34 HG2 -0.03 0.04 0.12 -0.04 1.46 1.56 1h4iC1 LYS 34 HG3 -0.03 -0.00 -0.01 -0.04 1.46 1.38 1h4iC1 LYS 34 HD2 -0.04 -0.02 0.05 -0.04 1.69 1.64 1h4iC1 LYS 34 HD3 -0.04 0.09 0.15 -0.04 1.68 1.84 1h4iC1 LYS 34 HE2 -0.00 0.02 0.02 -0.04 2.99 2.99 1h4iC1 LYS 34 HE3 -0.01 0.02 0.02 -0.04 2.99 2.97 1h4iC1 GLY 35 H -0.04 0.07 -0.33 -0.55 8.43 7.58 1h4iC1 GLY 35 HA2 -0.03 0.13 0.40 -0.51 4.01 4.01 1h4iC1 GLY 35 HA3 -0.03 0.03 0.28 -0.51 4.01 3.78 1h4iC1 ASN 36 H -0.06 0.34 -0.21 -0.55 8.53 8.05 1h4iC1 ASN 36 HA -0.04 0.24 0.91 -0.75 4.76 5.12 1h4iC1 ASN 36 HB2 -0.05 -0.02 0.17 -0.04 2.88 2.94 1h4iC1 ASN 36 HB3 -0.04 0.06 -0.13 -0.04 2.79 2.63 1h4iC1 ASN 36 HD21 -0.06 0.49 0.18 -0.04 7.03 7.61 1h4iC1 ASN 36 HD22 -0.05 -0.02 0.03 -0.04 7.74 7.66 1h4iC1 VAL 37 H -0.10 0.31 -0.02 -0.55 8.24 7.88 1h4iC1 VAL 37 HA -0.28 0.01 0.24 -0.75 4.13 3.34 1h4iC1 VAL 37 HB -0.24 0.08 -0.37 -0.04 2.12 1.55 1h4iC1 VAL 37 HG13 -0.42 -0.01 -0.17 -0.04 0.97 0.33 1h4iC1 VAL 37 HG23 -0.11 0.05 -0.09 -0.04 0.95 0.75 1h4iC1 LYS 38 H -0.04 0.11 -0.32 -0.55 8.42 7.62 1h4iC1 LYS 38 HA 0.32 0.11 0.46 -0.75 4.32 4.45 1h4iC1 LYS 38 HB2 0.08 0.02 -0.07 -0.04 1.87 1.86 1h4iC1 LYS 38 HB3 0.14 0.06 0.12 -0.04 1.79 2.07 1h4iC1 LYS 38 HG2 0.04 0.04 0.02 -0.04 1.46 1.52 1h4iC1 LYS 38 HG3 0.02 -0.07 -0.00 -0.04 1.46 1.37 1h4iC1 LYS 38 HD2 -0.01 0.15 -0.12 -0.04 1.69 1.67 1h4iC1 LYS 38 HD3 -0.01 -0.11 -0.12 -0.04 1.68 1.41 1h4iC1 LYS 38 HE2 0.03 -0.00 -0.05 -0.04 2.99 2.93 1h4iC1 LYS 38 HE3 0.02 -0.01 0.01 -0.04 2.99 2.96 1h4iC1 GLN 39 H -0.06 0.40 -0.48 -0.55 8.47 7.78 1h4iC1 GLN 39 HA 0.07 0.17 0.62 -0.75 4.36 4.47 1h4iC1 GLN 39 HB2 -0.04 0.13 0.12 -0.04 2.15 2.32 1h4iC1 GLN 39 HB3 -0.00 -0.12 0.19 -0.04 2.02 2.04 1h4iC1 GLN 39 HG2 0.02 -0.00 0.03 -0.04 2.40 2.40 1h4iC1 GLN 39 HG3 0.02 -0.03 -0.12 -0.04 2.39 2.22 1h4iC1 GLN 39 HE21 -0.02 -0.02 0.04 -0.04 6.97 6.92 1h4iC1 GLN 39 HE22 -0.02 -0.04 0.04 -0.04 7.69 7.62 1h4iC1 LEU 40 H -0.26 0.59 -0.34 -0.55 8.37 7.82 1h4iC1 LEU 40 HA -0.11 -0.06 0.31 -0.75 4.35 3.74 1h4iC1 LEU 40 HB2 -1.09 0.41 0.15 -0.04 1.64 1.06 1h4iC1 LEU 40 HB3 -0.80 -0.01 -0.13 -0.04 1.64 0.66 1h4iC1 LEU 40 HG -0.44 -0.09 -0.13 -0.04 1.64 0.95 1h4iC1 LEU 40 HD13 -1.00 -0.01 -0.20 -0.04 0.93 -0.32 1h4iC1 LEU 40 HD23 -0.13 -0.01 -0.32 -0.04 0.89 0.38 1h4iC1 ARG 41 H 0.09 0.48 0.38 -0.55 8.46 8.86 1h4iC1 ARG 41 HA 0.25 0.19 0.84 -0.75 4.34 4.86 1h4iC1 ARG 41 HB2 0.10 -0.09 -0.10 -0.04 1.90 1.77 1h4iC1 ARG 41 HB3 0.05 0.17 -0.15 -0.04 1.80 1.83 1h4iC1 ARG 41 HG2 0.13 -0.03 -0.06 -0.04 1.67 1.68 1h4iC1 ARG 41 HG3 0.19 0.00 0.08 -0.04 1.67 1.91 1h4iC1 ARG 41 HD2 0.26 0.05 -0.73 -0.04 3.22 2.77 1h4iC1 ARG 41 HD3 0.17 -0.07 -0.14 -0.04 3.22 3.14 1h4iC1 PRO 42 HA -0.67 0.15 0.57 -0.51 4.44 3.97 1h4iC1 PRO 42 HB2 -0.25 0.02 0.02 -0.04 2.28 2.03 1h4iC1 PRO 42 HB3 -0.53 0.01 0.04 -0.04 2.02 1.50 1h4iC1 PRO 42 HG2 -0.69 0.05 0.01 -0.04 2.03 1.36 1h4iC1 PRO 42 HG3 -1.49 0.01 -0.05 -0.04 2.03 0.46 1h4iC1 PRO 42 HD2 -0.20 0.11 0.17 -0.04 3.68 3.72 1h4iC1 PRO 42 HD3 -0.62 0.13 0.15 -0.04 3.65 3.27 1h4iC1 ALA 43 H -0.23 0.77 0.48 -0.55 8.40 8.87 1h4iC1 ALA 43 HA 0.09 0.33 0.80 -0.75 4.34 4.80 1h4iC1 ALA 43 HB3 0.20 -0.05 -0.21 -0.04 1.41 1.31 1h4iC1 TRP 44 H -0.21 0.32 0.28 -0.55 7.97 7.81 1h4iC1 TRP 44 HA 0.00 0.07 0.26 -0.75 4.62 4.19 1h4iC1 TRP 44 HB2 0.07 0.01 0.13 -0.04 3.23 3.40 1h4iC1 TRP 44 HB3 0.08 0.21 0.17 -0.04 3.23 3.65 1h4iC1 TRP 44 HD1 -0.11 0.02 -0.30 -0.04 7.22 6.79 1h4iC1 TRP 44 HE1 -0.44 -0.00 -0.12 -0.04 10.20 9.60 1h4iC1 TRP 44 HE3 0.03 0.20 -0.36 -0.04 7.59 7.41 1h4iC1 TRP 44 HZ2 -0.21 -0.02 -0.17 -0.04 7.44 6.99 1h4iC1 TRP 44 HZ3 -0.06 0.02 -0.28 -0.04 7.13 6.76 1h4iC1 TRP 44 HH2 -0.21 -0.01 -0.20 -0.04 7.19 6.74 1h4iC1 THR 45 H 0.35 0.23 0.17 -0.55 8.28 8.49 1h4iC1 THR 45 HA 0.00 0.26 0.88 -0.75 4.39 4.78 1h4iC1 THR 45 HB 0.11 -0.01 0.12 -0.04 4.32 4.50 1h4iC1 THR 45 HG23 -0.07 -0.02 -0.11 -0.04 1.22 0.97 1h4iC1 PHE 46 H 0.22 0.45 0.25 -0.55 8.34 8.71 1h4iC1 PHE 46 HA 0.07 0.10 0.62 -0.75 4.62 4.66 1h4iC1 PHE 46 HB2 0.31 0.12 -0.16 -0.04 3.15 3.38 1h4iC1 PHE 46 HB3 0.13 -0.08 -0.02 -0.04 3.06 3.05 1h4iC1 PHE 46 HD2 -0.07 -0.05 -0.17 -0.04 7.28 6.95 1h4iC1 PHE 46 HE2 -0.35 -0.03 -0.17 -0.04 7.38 6.78 1h4iC1 PHE 46 HZ -1.50 -0.03 -0.11 -0.04 7.32 5.64 1h4iC1 SER 47 H -0.48 0.19 0.14 -0.55 8.46 7.75 1h4iC1 SER 47 HA -0.26 0.18 1.09 -0.75 4.49 4.75 1h4iC1 SER 47 HB2 -0.12 -0.01 0.09 -0.04 3.95 3.87 1h4iC1 SER 47 HB3 -0.30 0.02 0.11 -0.04 3.93 3.72 1h4iC1 THR 48 H -0.31 0.51 0.19 -0.55 8.28 8.12 1h4iC1 THR 48 HA -0.35 0.15 0.43 -0.75 4.39 3.87 1h4iC1 THR 48 HB 0.22 0.01 -0.06 -0.04 4.32 4.45 1h4iC1 THR 48 HG23 0.09 0.01 -0.17 -0.04 1.22 1.11 1h4iC1 GLY 49 H -0.19 0.08 -0.13 -0.55 8.43 7.64 1h4iC1 GLY 49 HA2 -0.09 -0.02 0.23 -0.51 4.01 3.62 1h4iC1 GLY 49 HA3 -0.05 0.14 0.45 -0.51 4.01 4.04 1h4iC1 LEU 50 H -0.00 0.09 -0.19 -0.55 8.37 7.72 1h4iC1 LEU 50 HA 0.04 0.12 0.74 -0.75 4.35 4.50 1h4iC1 LEU 50 HB2 0.15 -0.07 -0.07 -0.04 1.64 1.61 1h4iC1 LEU 50 HB3 0.09 0.11 0.04 -0.04 1.64 1.83 1h4iC1 LEU 50 HG 0.09 0.03 -0.43 -0.04 1.64 1.28 1h4iC1 LEU 50 HD13 0.03 0.02 -0.21 -0.04 0.93 0.72 1h4iC1 LEU 50 HD23 0.03 0.03 0.03 -0.04 0.89 0.94 1h4iC1 LEU 51 H 0.05 0.08 0.04 -0.55 8.37 8.00 1h4iC1 LEU 51 HA 0.01 0.27 0.72 -0.75 4.35 4.60 1h4iC1 LEU 51 HB2 -0.00 0.01 0.07 -0.04 1.64 1.69 1h4iC1 LEU 51 HB3 -0.02 -0.16 0.18 -0.04 1.64 1.60 1h4iC1 LEU 51 HG -0.00 -0.03 -0.24 -0.04 1.64 1.33 1h4iC1 LEU 51 HD13 -0.02 0.00 -0.04 -0.04 0.93 0.84 1h4iC1 LEU 51 HD23 -0.02 0.01 -0.21 -0.04 0.89 0.63 1h4iC1 ASN 52 H -0.01 0.01 0.13 -0.55 8.53 8.11 1h4iC1 ASN 52 HA -0.04 -0.05 0.40 -0.75 4.76 4.31 1h4iC1 ASN 52 HB2 0.05 0.38 0.18 -0.04 2.88 3.44 1h4iC1 ASN 52 HB3 0.04 -0.22 0.15 -0.04 2.79 2.72 1h4iC1 ASN 52 HD21 0.03 0.03 -0.07 -0.04 7.03 6.98 1h4iC1 ASN 52 HD22 0.05 0.09 -0.32 -0.04 7.74 7.53 1h4iC1 GLY 53 H 0.04 -0.16 0.09 -0.55 8.43 7.85 1h4iC1 GLY 53 HA2 0.12 0.32 -0.09 -0.51 4.01 3.84 1h4iC1 GLY 53 HA3 0.10 -0.27 0.13 -0.51 4.01 3.45 1h4iC1 HIS 54 H 0.21 0.55 0.02 -0.55 8.41 8.64 1h4iC1 HIS 54 HA -0.09 0.12 0.75 -0.75 4.63 4.65 1h4iC1 HIS 54 HB2 -0.10 0.02 0.02 -0.04 3.26 3.16 1h4iC1 HIS 54 HB3 -0.44 0.03 0.05 -0.04 3.20 2.80 1h4iC1 HIS 54 HD2 -0.61 0.08 0.05 -0.04 6.97 6.44 1h4iC1 HIS 54 HE1 -0.08 0.10 -0.22 -0.04 7.75 7.51 1h4iC1 GLU 55 H 0.13 0.11 -0.09 -0.55 8.60 8.21 1h4iC1 GLU 55 HA 0.37 0.12 0.50 -0.75 4.29 4.53 1h4iC1 GLU 55 HB2 0.30 -0.03 -0.13 -0.04 2.09 2.20 1h4iC1 GLU 55 HB3 0.44 -0.00 0.04 -0.04 1.99 2.42 1h4iC1 GLU 55 HG2 0.42 0.29 -0.09 -0.04 2.34 2.93 1h4iC1 GLU 55 HG3 0.29 -0.16 -0.31 -0.04 2.34 2.11 1h4iC1 GLY 56 H 0.55 0.05 0.26 -0.55 8.43 8.74 1h4iC1 GLY 56 HA2 0.65 0.01 0.51 -0.51 4.01 4.67 1h4iC1 GLY 56 HA3 0.58 0.27 0.56 -0.51 4.01 4.90 1h4iC1 ALA 57 H 0.22 0.37 0.33 -0.55 8.40 8.77 1h4iC1 ALA 57 HA -0.76 0.08 0.59 -0.75 4.34 3.49 1h4iC1 ALA 57 HB3 -0.90 0.03 0.03 -0.04 1.41 0.52 1h4iC1 PRO 58 HA 0.13 0.14 0.79 -0.51 4.44 4.99 1h4iC1 PRO 58 HB2 -0.11 0.04 -0.02 -0.04 2.28 2.15 1h4iC1 PRO 58 HB3 -0.03 -0.02 0.07 -0.04 2.02 2.00 1h4iC1 PRO 58 HG2 -0.36 0.00 -0.06 -0.04 2.03 1.57 1h4iC1 PRO 58 HG3 -0.32 -0.02 -0.10 -0.04 2.03 1.55 1h4iC1 PRO 58 HD2 -0.69 0.13 0.14 -0.04 3.68 3.22 1h4iC1 PRO 58 HD3 -1.40 0.11 0.01 -0.04 3.65 2.33 1h4iC1 LEU 59 H 0.12 0.37 0.33 -0.55 8.37 8.64 1h4iC1 LEU 59 HA 0.16 0.28 0.95 -0.75 4.35 4.99 1h4iC1 LEU 59 HB2 0.19 -0.11 0.04 -0.04 1.64 1.71 1h4iC1 LEU 59 HB3 0.12 0.06 -0.00 -0.04 1.64 1.77 1h4iC1 LEU 59 HG 0.18 -0.04 -0.12 -0.04 1.64 1.61 1h4iC1 LEU 59 HD13 0.09 -0.01 -0.35 -0.04 0.93 0.63 1h4iC1 LEU 59 HD23 0.29 0.05 -0.32 -0.04 0.89 0.87 1h4iC1 VAL 60 H 0.11 0.50 0.25 -0.55 8.24 8.55 1h4iC1 VAL 60 HA -0.10 0.37 1.09 -0.75 4.13 4.74 1h4iC1 VAL 60 HB -0.14 -0.05 0.05 -0.04 2.12 1.94 1h4iC1 VAL 60 HG13 -0.27 0.00 -0.12 -0.04 0.97 0.53 1h4iC1 VAL 60 HG23 -0.79 -0.00 -0.26 -0.04 0.95 -0.15 1h4iC1 VAL 61 H 0.03 0.59 0.16 -0.55 8.24 8.47 1h4iC1 VAL 61 HA -0.05 0.09 0.77 -0.75 4.13 4.18 1h4iC1 VAL 61 HB -0.30 0.03 -0.04 -0.04 2.12 1.77 1h4iC1 VAL 61 HG13 -0.44 -0.01 -0.07 -0.04 0.97 0.42 1h4iC1 VAL 61 HG23 -0.46 0.01 -0.29 -0.04 0.95 0.17 1h4iC1 ASP 62 H 0.00 0.16 0.10 -0.55 8.40 8.12 1h4iC1 ASP 62 HA 0.04 0.02 0.34 -0.75 4.63 4.28 1h4iC1 ASP 62 HB2 0.05 -0.04 -0.15 -0.04 2.71 2.52 1h4iC1 ASP 62 HB3 0.08 0.21 -0.03 -0.04 2.70 2.92 1h4iC1 GLY 63 H 0.04 0.11 -0.12 -0.55 8.43 7.92 1h4iC1 GLY 63 HA2 0.10 0.04 0.28 -0.51 4.01 3.92 1h4iC1 GLY 63 HA3 0.07 0.06 0.40 -0.51 4.01 4.03 1h4iC1 LYS 64 H -0.06 0.20 -0.39 -0.55 8.42 7.62 1h4iC1 LYS 64 HA -0.24 0.19 1.04 -0.75 4.32 4.54 1h4iC1 LYS 64 HB2 -0.16 0.09 -0.01 -0.04 1.87 1.75 1h4iC1 LYS 64 HB3 -0.58 0.03 -0.03 -0.04 1.79 1.17 1h4iC1 LYS 64 HG2 -0.14 -0.05 -0.11 -0.04 1.46 1.11 1h4iC1 LYS 64 HG3 -0.04 0.08 -0.36 -0.04 1.46 1.09 1h4iC1 LYS 64 HD2 0.12 0.03 -0.08 -0.04 1.69 1.71 1h4iC1 LYS 64 HD3 -0.03 -0.02 -0.10 -0.04 1.68 1.50 1h4iC1 LYS 64 HE2 0.14 -0.03 -0.03 -0.04 2.99 3.03 1h4iC1 LYS 64 HE3 0.04 -0.04 -0.04 -0.04 2.99 2.91 1h4iC1 MET 65 H -0.37 0.68 0.34 -0.55 8.47 8.57 1h4iC1 MET 65 HA -0.21 0.32 1.08 -0.75 4.52 4.95 1h4iC1 MET 65 HB2 -0.19 -0.05 -0.07 -0.04 2.15 1.81 1h4iC1 MET 65 HB3 -0.15 -0.04 0.04 -0.04 2.03 1.84 1h4iC1 MET 65 HG2 -0.11 0.02 -0.34 -0.04 2.63 2.16 1h4iC1 MET 65 HG3 -0.17 0.09 -0.08 -0.04 2.56 2.36 1h4iC1 MET 65 HE3 -0.17 -0.01 -0.20 -0.04 2.10 1.68 1h4iC1 TYR 66 H 0.04 0.70 0.32 -0.55 8.29 8.81 1h4iC1 TYR 66 HA -0.16 0.31 1.06 -0.75 4.56 5.01 1h4iC1 TYR 66 HB2 0.02 -0.08 0.13 -0.04 3.06 3.08 1h4iC1 TYR 66 HB3 0.01 0.03 0.00 -0.04 2.98 2.98 1h4iC1 TYR 66 HD2 -0.11 0.03 -0.19 -0.04 7.15 6.84 1h4iC1 TYR 66 HE2 0.15 0.10 -0.09 -0.04 6.85 6.97 1h4iC1 ILE 67 H 0.02 0.68 0.34 -0.55 8.25 8.74 1h4iC1 ILE 67 HA 0.28 0.14 0.97 -0.75 4.18 4.82 1h4iC1 ILE 67 HB 0.09 -0.02 0.00 -0.04 1.89 1.93 1h4iC1 ILE 67 HG12 0.19 -0.00 -0.15 -0.04 1.49 1.48 1h4iC1 ILE 67 HG13 0.11 0.04 -0.24 -0.04 1.21 1.08 1h4iC1 ILE 67 HG23 0.25 0.00 -0.27 -0.04 0.93 0.87 1h4iC1 ILE 67 HD13 -0.27 0.00 -0.26 -0.04 0.88 0.31 1h4iC1 HIS 68 H 0.26 0.22 0.14 -0.55 8.41 8.48 1h4iC1 HIS 68 HA 0.08 0.37 0.97 -0.75 4.63 5.30 1h4iC1 HIS 68 HB2 0.08 0.06 -0.00 -0.04 3.26 3.36 1h4iC1 HIS 68 HB3 0.14 -0.08 -0.17 -0.04 3.20 3.05 1h4iC1 HIS 68 HD2 0.08 0.06 -0.23 -0.04 6.97 6.83 1h4iC1 HIS 68 HE1 0.48 -0.08 -0.07 -0.04 7.75 8.03 1h4iC1 THR 69 H 0.05 0.25 0.15 -0.55 8.28 8.18 1h4iC1 THR 69 HA -0.47 0.19 0.92 -0.75 4.39 4.28 1h4iC1 THR 69 HB -0.05 -0.08 0.09 -0.04 4.32 4.24 1h4iC1 THR 69 HG23 0.23 0.04 -0.27 -0.04 1.22 1.18 1h4iC1 SER 70 H -0.44 0.13 0.10 -0.55 8.46 7.70 1h4iC1 SER 70 HA -0.04 0.06 0.67 -0.75 4.49 4.42 1h4iC1 SER 70 HB2 0.03 -0.06 0.17 -0.04 3.95 4.05 1h4iC1 SER 70 HB3 -0.16 0.25 -0.02 -0.04 3.93 3.96 1h4iC1 PHE 71 H 0.21 0.58 0.28 -0.55 8.34 8.85 1h4iC1 PHE 71 HA 0.02 -0.06 0.43 -0.75 4.62 4.25 1h4iC1 PHE 71 HB2 0.03 0.02 0.13 -0.04 3.15 3.29 1h4iC1 PHE 71 HB3 0.04 -0.01 0.12 -0.04 3.06 3.16 1h4iC1 PHE 71 HD2 0.03 -0.03 -0.10 -0.04 7.28 7.14 1h4iC1 PHE 71 HE2 0.02 -0.05 -0.10 -0.04 7.38 7.22 1h4iC1 PHE 71 HZ 0.02 0.02 -0.30 -0.04 7.32 7.01 1h4iC1 PRO 72 HA -1.15 -0.08 0.29 -0.51 4.44 2.99 1h4iC1 PRO 72 HB2 -0.39 0.16 0.14 -0.04 2.28 2.14 1h4iC1 PRO 72 HB3 -0.86 -0.04 0.08 -0.04 2.02 1.16 1h4iC1 PRO 72 HG2 -0.18 0.03 -0.12 -0.04 2.03 1.72 1h4iC1 PRO 72 HG3 -0.20 0.02 0.04 -0.04 2.03 1.85 1h4iC1 PRO 72 HD2 -0.10 0.14 0.04 -0.04 3.68 3.71 1h4iC1 PRO 72 HD3 -0.20 0.06 0.33 -0.04 3.65 3.80 1h4iC1 ASN 73 H -0.06 0.55 0.14 -0.55 8.53 8.61 1h4iC1 ASN 73 HA 0.01 0.14 0.17 -0.75 4.76 4.33 1h4iC1 ASN 73 HB2 -0.00 0.03 -0.14 -0.04 2.88 2.72 1h4iC1 ASN 73 HB3 0.04 0.11 0.05 -0.04 2.79 2.96 1h4iC1 ASN 73 HD21 0.15 -0.03 -0.15 -0.04 7.03 6.95 1h4iC1 ASN 73 HD22 0.10 0.29 -0.13 -0.04 7.74 7.96 1h4iC1 ASN 74 H -0.04 0.05 0.02 -0.55 8.53 8.01 1h4iC1 ASN 74 HA -0.12 0.28 0.63 -0.75 4.76 4.79 1h4iC1 ASN 74 HB2 -0.11 -0.05 -0.02 -0.04 2.88 2.66 1h4iC1 ASN 74 HB3 -0.47 0.03 0.05 -0.04 2.79 2.36 1h4iC1 ASN 74 HD21 0.01 -0.02 -0.08 -0.04 7.03 6.89 1h4iC1 ASN 74 HD22 0.12 0.07 -0.08 -0.04 7.74 7.81 1h4iC1 THR 75 H -0.27 0.48 0.41 -0.55 8.28 8.35 1h4iC1 THR 75 HA -0.04 0.41 1.06 -0.75 4.39 5.06 1h4iC1 THR 75 HB 0.25 -0.12 0.04 -0.04 4.32 4.45 1h4iC1 THR 75 HG23 0.13 -0.00 -0.16 -0.04 1.22 1.15 1h4iC1 PHE 76 H -0.01 0.54 0.34 -0.55 8.34 8.65 1h4iC1 PHE 76 HA -0.27 0.28 1.10 -0.75 4.62 4.98 1h4iC1 PHE 76 HB2 -0.24 -0.08 -0.02 -0.04 3.15 2.77 1h4iC1 PHE 76 HB3 -0.24 0.04 -0.02 -0.04 3.06 2.79 1h4iC1 PHE 76 HD2 0.09 0.01 -0.13 -0.04 7.28 7.21 1h4iC1 PHE 76 HE2 0.11 -0.01 -0.13 -0.04 7.38 7.30 1h4iC1 PHE 76 HZ 0.07 0.07 -0.08 -0.04 7.32 7.34 1h4iC1 ALA 77 H -0.64 0.53 0.32 -0.55 8.40 8.06 1h4iC1 ALA 77 HA -0.74 0.32 1.08 -0.75 4.34 4.24 1h4iC1 ALA 77 HB3 -1.35 -0.02 -0.01 -0.04 1.41 -0.02 1h4iC1 LEU 78 H -0.49 0.70 0.35 -0.55 8.37 8.38 1h4iC1 LEU 78 HA -0.30 0.18 1.09 -0.75 4.35 4.57 1h4iC1 LEU 78 HB2 -0.31 -0.11 0.02 -0.04 1.64 1.20 1h4iC1 LEU 78 HB3 -0.37 0.14 0.04 -0.04 1.64 1.41 1h4iC1 LEU 78 HG -0.47 -0.06 -0.30 -0.04 1.64 0.77 1h4iC1 LEU 78 HD13 -0.57 0.01 -0.14 -0.04 0.93 0.19 1h4iC1 LEU 78 HD23 -0.41 0.08 -0.17 -0.04 0.89 0.36 1h4iC1 GLY 79 H -0.22 0.32 0.17 -0.55 8.43 8.15 1h4iC1 GLY 79 HA2 -0.20 0.20 0.82 -0.51 4.01 4.32 1h4iC1 GLY 79 HA3 -0.16 0.01 0.35 -0.51 4.01 3.70 1h4iC1 LEU 80 H -0.24 0.70 0.27 -0.55 8.37 8.55 1h4iC1 LEU 80 HA -0.42 0.07 0.21 -0.75 4.35 3.46 1h4iC1 LEU 80 HB2 -0.40 0.18 0.05 -0.04 1.64 1.43 1h4iC1 LEU 80 HB3 -1.39 -0.05 -0.09 -0.04 1.64 0.07 1h4iC1 LEU 80 HG -0.21 -0.02 -0.12 -0.04 1.64 1.26 1h4iC1 LEU 80 HD13 -0.22 0.01 -0.30 -0.04 0.93 0.39 1h4iC1 LEU 80 HD23 -0.13 -0.04 -0.21 -0.04 0.89 0.47 1h4iC1 ASP 81 H -0.17 0.08 -0.36 -0.55 8.40 7.40 1h4iC1 ASP 81 HA -0.10 0.14 0.75 -0.75 4.63 4.67 1h4iC1 ASP 81 HB2 -0.04 -0.01 0.03 -0.04 2.71 2.64 1h4iC1 ASP 81 HB3 -0.04 0.01 0.05 -0.04 2.70 2.68 1h4iC1 ASP 82 H -0.26 0.38 -0.35 -0.55 8.40 7.62 1h4iC1 ASP 82 HA -0.29 0.12 0.52 -0.75 4.63 4.23 1h4iC1 ASP 82 HB2 -0.08 0.07 -0.25 -0.04 2.71 2.40 1h4iC1 ASP 82 HB3 -0.09 -0.02 0.09 -0.04 2.70 2.64 1h4iC1 PRO 83 HA -0.51 0.09 0.33 -0.51 4.44 3.84 1h4iC1 PRO 83 HB2 -1.09 0.04 -0.15 -0.04 2.28 1.03 1h4iC1 PRO 83 HB3 -2.00 0.00 -0.06 -0.04 2.02 -0.09 1h4iC1 PRO 83 HG2 -2.01 0.02 -0.06 -0.04 2.03 -0.05 1h4iC1 PRO 83 HG3 -1.23 0.06 -0.07 -0.04 2.03 0.75 1h4iC1 PRO 83 HD2 -0.69 0.07 0.01 -0.04 3.68 3.03 1h4iC1 PRO 83 HD3 -0.67 0.17 -0.32 -0.04 3.65 2.79 1h4iC1 GLY 84 H 0.03 0.04 -0.47 -0.55 8.43 7.48 1h4iC1 GLY 84 HA2 -0.02 0.06 0.39 -0.51 4.01 3.93 1h4iC1 GLY 84 HA3 -0.01 0.01 0.20 -0.51 4.01 3.70 1h4iC1 THR 85 H -0.07 0.39 -0.23 -0.55 8.28 7.81 1h4iC1 THR 85 HA -0.01 0.12 0.89 -0.75 4.39 4.64 1h4iC1 THR 85 HB -0.05 0.01 0.12 -0.04 4.32 4.36 1h4iC1 THR 85 HG23 0.00 0.00 -0.20 -0.04 1.22 0.98 1h4iC1 ILE 86 H 0.01 0.15 0.10 -0.55 8.25 7.96 1h4iC1 ILE 86 HA -0.09 0.13 0.65 -0.75 4.18 4.12 1h4iC1 ILE 86 HB 0.08 -0.04 0.11 -0.04 1.89 2.00 1h4iC1 ILE 86 HG12 0.07 0.05 -0.08 -0.04 1.49 1.49 1h4iC1 ILE 86 HG13 0.07 0.04 0.01 -0.04 1.21 1.28 1h4iC1 ILE 86 HG23 0.17 -0.02 -0.14 -0.04 0.93 0.90 1h4iC1 ILE 86 HD13 0.13 -0.01 -0.03 -0.04 0.88 0.93 1h4iC1 LEU 87 H -0.16 0.49 0.38 -0.55 8.37 8.54 1h4iC1 LEU 87 HA 0.03 -0.00 0.47 -0.75 4.35 4.09 1h4iC1 LEU 87 HB2 -0.26 0.19 0.06 -0.04 1.64 1.59 1h4iC1 LEU 87 HB3 0.05 0.03 -0.13 -0.04 1.64 1.54 1h4iC1 LEU 87 HG 0.03 0.00 -0.02 -0.04 1.64 1.62 1h4iC1 LEU 87 HD13 -0.04 0.01 -0.01 -0.04 0.93 0.85 1h4iC1 LEU 87 HD23 -0.16 -0.04 -0.21 -0.04 0.89 0.43 1h4iC1 TRP 88 H -0.24 0.27 0.16 -0.55 7.97 7.62 1h4iC1 TRP 88 HA 0.04 0.11 0.29 -0.75 4.62 4.32 1h4iC1 TRP 88 HB2 0.02 0.03 0.02 -0.04 3.23 3.26 1h4iC1 TRP 88 HB3 0.03 0.16 -0.02 -0.04 3.23 3.36 1h4iC1 TRP 88 HD1 0.04 0.14 -0.39 -0.04 7.22 6.96 1h4iC1 TRP 88 HE1 0.17 0.33 -0.34 -0.04 10.20 10.32 1h4iC1 TRP 88 HE3 -0.00 0.06 -0.59 -0.04 7.59 7.01 1h4iC1 TRP 88 HZ2 0.29 0.02 -0.17 -0.04 7.44 7.55 1h4iC1 TRP 88 HZ3 -0.01 -0.00 -0.24 -0.04 7.13 6.83 1h4iC1 TRP 88 HH2 0.09 -0.02 -0.22 -0.04 7.19 6.99 1h4iC1 GLN 89 H 0.37 0.31 0.15 -0.55 8.47 8.75 1h4iC1 GLN 89 HA 0.01 0.36 0.85 -0.75 4.36 4.84 1h4iC1 GLN 89 HB2 -0.08 0.02 -0.04 -0.04 2.15 2.01 1h4iC1 GLN 89 HB3 0.29 0.02 0.03 -0.04 2.02 2.32 1h4iC1 GLN 89 HG2 0.19 -0.07 -0.11 -0.04 2.40 2.37 1h4iC1 GLN 89 HG3 0.13 -0.02 -0.03 -0.04 2.39 2.43 1h4iC1 GLN 89 HE21 0.17 -0.01 -0.05 -0.04 6.97 7.04 1h4iC1 GLN 89 HE22 0.18 0.02 -0.12 -0.04 7.69 7.73 1h4iC1 ASP 90 H 0.00 0.65 0.33 -0.55 8.40 8.84 1h4iC1 ASP 90 HA 0.06 0.13 0.89 -0.75 4.63 4.95 1h4iC1 ASP 90 HB2 0.17 0.08 -0.01 -0.04 2.71 2.91 1h4iC1 ASP 90 HB3 0.15 -0.04 0.16 -0.04 2.70 2.93 1h4iC1 LYS 91 H -0.02 0.19 -0.02 -0.55 8.42 8.01 1h4iC1 LYS 91 HA -0.08 0.22 0.84 -0.75 4.32 4.55 1h4iC1 LYS 91 HB2 -0.01 -0.04 0.09 -0.04 1.87 1.87 1h4iC1 LYS 91 HB3 -0.03 0.04 0.00 -0.04 1.79 1.76 1h4iC1 LYS 91 HG2 -0.11 0.08 -0.17 -0.04 1.46 1.22 1h4iC1 LYS 91 HG3 -0.05 -0.08 -0.46 -0.04 1.46 0.82 1h4iC1 LYS 91 HD2 0.05 -0.03 -0.09 -0.04 1.69 1.59 1h4iC1 LYS 91 HD3 0.03 0.00 -0.06 -0.04 1.68 1.61 1h4iC1 LYS 91 HE2 0.18 0.05 -0.08 -0.04 2.99 3.10 1h4iC1 LYS 91 HE3 0.17 -0.01 -0.12 -0.04 2.99 2.98 1h4iC1 PRO 92 HA -0.04 -0.04 0.38 -0.51 4.44 4.22 1h4iC1 PRO 92 HB2 -0.09 0.04 -0.06 -0.04 2.28 2.13 1h4iC1 PRO 92 HB3 -0.04 -0.07 -0.07 -0.04 2.02 1.80 1h4iC1 PRO 92 HG2 -0.05 0.28 0.04 -0.04 2.03 2.27 1h4iC1 PRO 92 HG3 -0.04 -0.07 -0.06 -0.04 2.03 1.81 1h4iC1 PRO 92 HD2 -0.09 0.18 -0.09 -0.04 3.68 3.64 1h4iC1 PRO 92 HD3 -0.06 0.22 -0.20 -0.04 3.65 3.57 1h4iC1 LYS 93 H -0.03 0.14 0.13 -0.55 8.42 8.10 1h4iC1 LYS 93 HA -0.04 0.15 0.72 -0.75 4.32 4.40 1h4iC1 LYS 93 HB2 -0.01 -0.05 0.18 -0.04 1.87 1.95 1h4iC1 LYS 93 HB3 -0.01 0.00 0.06 -0.04 1.79 1.81 1h4iC1 LYS 93 HG2 -0.02 0.07 -0.02 -0.04 1.46 1.46 1h4iC1 LYS 93 HG3 -0.02 -0.01 0.08 -0.04 1.46 1.47 1h4iC1 LYS 93 HD2 -0.00 -0.02 0.02 -0.04 1.69 1.64 1h4iC1 LYS 93 HD3 -0.01 0.02 0.02 -0.04 1.68 1.67 1h4iC1 LYS 93 HE2 -0.01 0.01 0.04 -0.04 2.99 2.99 1h4iC1 LYS 93 HE3 -0.01 -0.03 0.05 -0.04 2.99 2.97 1h4iC1 GLN 94 H -0.04 0.28 0.11 -0.55 8.47 8.27 1h4iC1 GLN 94 HA 0.05 0.18 0.91 -0.75 4.36 4.74 1h4iC1 GLN 94 HB2 0.10 0.03 -0.12 -0.04 2.15 2.11 1h4iC1 GLN 94 HB3 0.21 -0.08 -0.02 -0.04 2.02 2.09 1h4iC1 GLN 94 HG2 0.02 0.05 -0.30 -0.04 2.40 2.13 1h4iC1 GLN 94 HG3 -0.09 0.16 -0.41 -0.04 2.39 2.01 1h4iC1 GLN 94 HE21 0.05 -0.16 -0.16 -0.04 6.97 6.66 1h4iC1 GLN 94 HE22 -0.12 0.45 -0.10 -0.04 7.69 7.88 1h4iC1 ASN 95 H 0.09 0.13 0.12 -0.55 8.53 8.33 1h4iC1 ASN 95 HA 0.07 0.17 0.43 -0.75 4.76 4.68 1h4iC1 ASN 95 HB2 0.04 0.07 0.14 -0.04 2.88 3.09 1h4iC1 ASN 95 HB3 0.05 -0.05 0.17 -0.04 2.79 2.93 1h4iC1 ASN 95 HD21 0.01 0.04 0.01 -0.04 7.03 7.05 1h4iC1 ASN 95 HD22 0.02 0.03 0.03 -0.04 7.74 7.78 1h4iC1 PRO 96 HA 0.20 0.09 0.38 -0.51 4.44 4.59 1h4iC1 PRO 96 HB2 0.06 0.04 0.02 -0.04 2.28 2.36 1h4iC1 PRO 96 HB3 0.12 0.09 0.14 -0.04 2.02 2.33 1h4iC1 PRO 96 HG2 0.04 -0.02 0.08 -0.04 2.03 2.08 1h4iC1 PRO 96 HG3 0.05 0.08 0.09 -0.04 2.03 2.21 1h4iC1 PRO 96 HD2 0.06 0.03 0.27 -0.04 3.68 4.00 1h4iC1 PRO 96 HD3 0.09 0.28 0.27 -0.04 3.65 4.25 1h4iC1 ALA 97 H 0.03 0.08 -0.42 -0.55 8.40 7.54 1h4iC1 ALA 97 HA -0.02 0.08 0.36 -0.75 4.34 4.01 1h4iC1 ALA 97 HB3 -0.01 0.02 -0.01 -0.04 1.41 1.38 1h4iC1 ALA 98 H -0.02 0.51 -0.33 -0.55 8.40 8.01 1h4iC1 ALA 98 HA -0.08 0.04 0.27 -0.75 4.34 3.81 1h4iC1 ALA 98 HB3 -0.10 -0.00 -0.07 -0.04 1.41 1.20 1h4iC1 ARG 99 H -0.25 0.41 -0.38 -0.55 8.46 7.69 1h4iC1 ARG 99 HA -0.30 -0.00 0.28 -0.75 4.34 3.57 1h4iC1 ARG 99 HB2 -0.11 0.12 0.10 -0.04 1.90 1.97 1h4iC1 ARG 99 HB3 -0.10 -0.01 -0.00 -0.04 1.80 1.65 1h4iC1 ARG 99 HG2 -0.51 -0.05 0.00 -0.04 1.67 1.08 1h4iC1 ARG 99 HG3 -0.66 -0.05 0.04 -0.04 1.67 0.96 1h4iC1 ARG 99 HD2 0.21 -0.02 -0.00 -0.04 3.22 3.37 1h4iC1 ARG 99 HD3 0.04 0.03 0.06 -0.04 3.22 3.31 1h4iC1 ALA 100 H -0.08 0.28 -0.21 -0.55 8.40 7.85 1h4iC1 ALA 100 HA -0.05 0.05 0.41 -0.75 4.34 4.00 1h4iC1 ALA 100 HB3 -0.03 0.01 0.09 -0.04 1.41 1.44 1h4iC1 VAL 101 H -0.08 0.31 -0.44 -0.55 8.24 7.48 1h4iC1 VAL 101 HA -0.15 0.22 0.87 -0.75 4.13 4.32 1h4iC1 VAL 101 HB -0.19 -0.05 0.08 -0.04 2.12 1.92 1h4iC1 VAL 101 HG13 -0.14 0.03 -0.09 -0.04 0.97 0.73 1h4iC1 VAL 101 HG23 -0.09 -0.01 -0.10 -0.04 0.95 0.72 1h4iC1 ALA 102 H -0.04 0.40 -0.24 -0.55 8.40 7.97 1h4iC1 ALA 102 HA -0.06 -0.03 0.59 -0.75 4.34 4.09 1h4iC1 ALA 102 HB3 -0.06 0.04 -0.03 -0.04 1.41 1.32 1h4iC1 CYS 103 H -0.02 0.07 0.08 -0.55 8.50 8.08 1h4iC1 CYS 103 HA 0.24 0.13 0.40 -0.75 4.58 4.60 1h4iC1 CYS 103 HB2 -0.08 0.00 -0.05 -0.04 2.97 2.80 1h4iC1 CYS 103 HB3 0.10 -0.02 0.05 -0.04 2.97 3.05 1h4iC1 CYS 104 H -0.10 -0.02 -0.22 -0.55 8.50 7.61 1h4iC1 CYS 104 HA -0.08 0.17 0.60 -0.75 4.58 4.52 1h4iC1 CYS 104 HB2 -0.14 0.05 0.09 -0.04 2.97 2.94 1h4iC1 CYS 104 HB3 -0.08 -0.12 0.06 -0.04 2.97 2.79 1h4iC1 ASP 105 H 0.08 -0.06 0.01 -0.55 8.40 7.88 1h4iC1 ASP 105 HA 0.30 0.28 0.61 -0.75 4.63 5.06 1h4iC1 ASP 105 HB2 0.15 0.20 0.08 -0.04 2.71 3.10 1h4iC1 ASP 105 HB3 0.12 -0.07 0.15 -0.04 2.70 2.85 1h4iC1 LEU 106 H 0.15 0.14 0.13 -0.55 8.37 8.24 1h4iC1 LEU 106 HA 0.04 0.18 0.58 -0.75 4.35 4.40 1h4iC1 LEU 106 HB2 0.14 0.02 0.26 -0.04 1.64 2.03 1h4iC1 LEU 106 HB3 0.13 -0.03 0.21 -0.04 1.64 1.90 1h4iC1 LEU 106 HG 0.24 -0.06 0.08 -0.04 1.64 1.86 1h4iC1 LEU 106 HD13 0.12 0.01 0.02 -0.04 0.93 1.05 1h4iC1 LEU 106 HD23 -0.06 0.03 -0.08 -0.04 0.89 0.74 1h4iC1 VAL 107 H 0.07 0.31 -0.54 -0.55 8.24 7.54 1h4iC1 VAL 107 HA 0.07 0.26 0.44 -0.75 4.13 4.14 1h4iC1 VAL 107 HB 0.11 -0.20 -0.09 -0.04 2.12 1.90 1h4iC1 VAL 107 HG13 0.13 0.02 -0.14 -0.04 0.97 0.94 1h4iC1 VAL 107 HG23 0.16 -0.01 -0.11 -0.04 0.95 0.94 1h4iC1 ASN 108 H 0.14 0.23 0.13 -0.55 8.53 8.49 1h4iC1 ASN 108 HA 0.13 0.20 0.60 -0.75 4.76 4.93 1h4iC1 ASN 108 HB2 0.13 -0.01 -0.08 -0.04 2.88 2.88 1h4iC1 ASN 108 HB3 0.25 0.14 0.04 -0.04 2.79 3.18 1h4iC1 ASN 108 HD21 0.07 -0.02 -0.23 -0.04 7.03 6.81 1h4iC1 ASN 108 HD22 0.10 -0.03 -0.11 -0.04 7.74 7.65 1h4iC1 ARG 109 H 0.11 0.75 0.19 -0.55 8.46 8.96 1h4iC1 ARG 109 HA 0.38 0.09 0.53 -0.75 4.34 4.58 1h4iC1 ARG 109 HB2 -0.10 -0.03 0.18 -0.04 1.90 1.90 1h4iC1 ARG 109 HB3 -0.05 0.00 0.20 -0.04 1.80 1.90 1h4iC1 ARG 109 HG2 0.31 -0.09 -0.02 -0.04 1.67 1.84 1h4iC1 ARG 109 HG3 0.15 -0.05 -0.11 -0.04 1.67 1.62 1h4iC1 ARG 109 HD2 -0.31 0.18 0.09 -0.04 3.22 3.14 1h4iC1 ARG 109 HD3 -0.31 0.03 0.06 -0.04 3.22 2.96 1h4iC1 GLY 110 H -0.07 0.12 -0.17 -0.55 8.43 7.76 1h4iC1 GLY 110 HA2 -1.00 0.05 0.29 -0.51 4.01 2.84 1h4iC1 GLY 110 HA3 0.07 0.25 1.09 -0.51 4.01 4.90 1h4iC1 LEU 111 H 0.01 0.18 0.21 -0.55 8.37 8.22 1h4iC1 LEU 111 HA 0.05 0.25 0.92 -0.75 4.35 4.81 1h4iC1 LEU 111 HB2 0.12 -0.03 -0.00 -0.04 1.64 1.68 1h4iC1 LEU 111 HB3 0.09 0.03 0.08 -0.04 1.64 1.80 1h4iC1 LEU 111 HG 0.09 -0.06 -0.15 -0.04 1.64 1.47 1h4iC1 LEU 111 HD13 0.20 0.01 -0.23 -0.04 0.93 0.88 1h4iC1 LEU 111 HD23 0.09 0.02 -0.13 -0.04 0.89 0.83 1h4iC1 ALA 112 H 0.09 0.46 0.39 -0.55 8.40 8.80 1h4iC1 ALA 112 HA 0.16 0.18 0.85 -0.75 4.34 4.77 1h4iC1 ALA 112 HB3 0.11 0.05 -0.13 -0.04 1.41 1.40 1h4iC1 TYR 113 H 0.18 0.28 0.27 -0.55 8.29 8.47 1h4iC1 TYR 113 HA 0.03 0.32 1.09 -0.75 4.56 5.25 1h4iC1 TYR 113 HB2 -0.04 -0.00 -0.09 -0.04 3.06 2.89 1h4iC1 TYR 113 HB3 0.01 0.19 0.19 -0.04 2.98 3.32 1h4iC1 TYR 113 HD2 -0.08 0.02 -0.12 -0.04 7.15 6.93 1h4iC1 TYR 113 HE2 -0.04 -0.05 -0.14 -0.04 6.85 6.58 1h4iC1 TRP 114 H -0.24 0.62 0.29 -0.55 7.97 8.09 1h4iC1 TRP 114 HA -0.19 0.19 0.84 -0.75 4.62 4.70 1h4iC1 TRP 114 HB2 -0.09 0.05 -0.09 -0.04 3.23 3.06 1h4iC1 TRP 114 HB3 -0.16 -0.02 0.11 -0.04 3.23 3.12 1h4iC1 TRP 114 HD1 -0.04 0.14 0.03 -0.04 7.22 7.30 1h4iC1 TRP 114 HE1 -0.02 0.01 -0.05 -0.04 10.20 10.10 1h4iC1 TRP 114 HE3 -0.08 0.09 -0.11 -0.04 7.59 7.45 1h4iC1 TRP 114 HZ2 -0.01 -0.01 -0.15 -0.04 7.44 7.23 1h4iC1 TRP 114 HZ3 -0.01 0.16 -0.23 -0.04 7.13 7.00 1h4iC1 TRP 114 HH2 -0.00 -0.12 -0.09 -0.04 7.19 6.94 1h4iC1 PRO 115 HA -0.56 0.06 0.39 -0.51 4.44 3.82 1h4iC1 PRO 115 HB2 -0.47 0.12 0.01 -0.04 2.28 1.90 1h4iC1 PRO 115 HB3 -0.18 0.02 0.09 -0.04 2.02 1.91 1h4iC1 PRO 115 HG2 -0.17 -0.17 -0.00 -0.04 2.03 1.65 1h4iC1 PRO 115 HG3 -0.07 0.09 -0.02 -0.04 2.03 1.99 1h4iC1 PRO 115 HD2 -0.81 0.08 0.16 -0.04 3.68 3.07 1h4iC1 PRO 115 HD3 -0.23 0.28 0.24 -0.04 3.65 3.91 1h4iC1 GLY 116 H -2.36 -0.03 -0.53 -0.55 8.43 4.97 1h4iC1 GLY 116 HA2 -1.44 0.04 -0.00 -0.51 4.01 2.09 1h4iC1 GLY 116 HA3 -0.48 0.14 0.32 -0.51 4.01 3.48 1h4iC1 ASP 117 H -0.06 0.25 -0.04 -0.55 8.40 8.00 1h4iC1 ASP 117 HA -0.13 0.21 0.80 -0.75 4.63 4.76 1h4iC1 ASP 117 HB2 0.09 0.01 0.15 -0.04 2.71 2.91 1h4iC1 ASP 117 HB3 0.20 0.04 0.00 -0.04 2.70 2.90 1h4iC1 GLY 118 H 0.07 -0.07 0.17 -0.55 8.43 8.05 1h4iC1 GLY 118 HA2 0.01 0.29 0.92 -0.51 4.01 4.72 1h4iC1 GLY 118 HA3 0.03 -0.00 0.31 -0.51 4.01 3.83 1h4iC1 LYS 119 H 0.07 -0.07 0.17 -0.55 8.42 8.03 1h4iC1 LYS 119 HA 0.04 0.22 0.65 -0.75 4.32 4.48 1h4iC1 LYS 119 HB2 0.04 0.07 0.04 -0.04 1.87 1.98 1h4iC1 LYS 119 HB3 0.04 -0.00 0.07 -0.04 1.79 1.86 1h4iC1 LYS 119 HG2 0.08 -0.12 0.13 -0.04 1.46 1.50 1h4iC1 LYS 119 HG3 0.08 0.05 -0.02 -0.04 1.46 1.53 1h4iC1 LYS 119 HD2 0.03 0.05 -0.02 -0.04 1.69 1.72 1h4iC1 LYS 119 HD3 0.03 0.00 0.02 -0.04 1.68 1.69 1h4iC1 LYS 119 HE2 0.04 -0.04 0.02 -0.04 2.99 2.97 1h4iC1 LYS 119 HE3 0.04 0.01 -0.01 -0.04 2.99 2.99 1h4iC1 THR 120 H 0.16 -0.13 0.01 -0.55 8.28 7.78 1h4iC1 THR 120 HA 0.13 0.25 0.70 -0.75 4.39 4.71 1h4iC1 THR 120 HB 0.51 -0.17 0.06 -0.04 4.32 4.68 1h4iC1 THR 120 HG23 0.23 0.10 -0.03 -0.04 1.22 1.47 1h4iC1 PRO 121 HA 0.03 0.12 0.53 -0.51 4.44 4.60 1h4iC1 PRO 121 HB2 0.03 0.00 0.10 -0.04 2.28 2.37 1h4iC1 PRO 121 HB3 0.03 0.04 0.08 -0.04 2.02 2.13 1h4iC1 PRO 121 HG2 0.06 0.06 -0.01 -0.04 2.03 2.09 1h4iC1 PRO 121 HG3 0.02 0.01 0.06 -0.04 2.03 2.08 1h4iC1 PRO 121 HD2 0.10 0.06 0.21 -0.04 3.68 4.01 1h4iC1 PRO 121 HD3 0.06 0.25 0.18 -0.04 3.65 4.10 1h4iC1 ALA 122 H -0.01 0.09 0.09 -0.55 8.40 8.02 1h4iC1 ALA 122 HA -0.23 0.11 0.22 -0.75 4.34 3.69 1h4iC1 ALA 122 HB3 -0.05 0.02 0.03 -0.04 1.41 1.36 1h4iC1 LEU 123 H -0.10 0.58 0.36 -0.55 8.37 8.66 1h4iC1 LEU 123 HA 0.01 0.25 1.09 -0.75 4.35 4.94 1h4iC1 LEU 123 HB2 0.16 -0.10 -0.02 -0.04 1.64 1.64 1h4iC1 LEU 123 HB3 -0.05 0.01 -0.09 -0.04 1.64 1.46 1h4iC1 LEU 123 HG 0.37 0.19 -0.30 -0.04 1.64 1.86 1h4iC1 LEU 123 HD13 0.03 -0.05 -0.10 -0.04 0.93 0.77 1h4iC1 LEU 123 HD23 -0.00 -0.01 -0.27 -0.04 0.89 0.57 1h4iC1 ILE 124 H -0.03 0.67 0.31 -0.55 8.25 8.64 1h4iC1 ILE 124 HA 0.06 0.24 0.90 -0.75 4.18 4.62 1h4iC1 ILE 124 HB 0.11 -0.04 0.04 -0.04 1.89 1.95 1h4iC1 ILE 124 HG12 0.04 -0.12 -0.21 -0.04 1.49 1.16 1h4iC1 ILE 124 HG13 0.21 0.03 -0.13 -0.04 1.21 1.28 1h4iC1 ILE 124 HG23 0.12 0.01 -0.20 -0.04 0.93 0.82 1h4iC1 ILE 124 HD13 -0.54 0.02 -0.08 -0.04 0.88 0.24 1h4iC1 LEU 125 H 0.03 0.71 0.33 -0.55 8.37 8.90 1h4iC1 LEU 125 HA -0.17 0.33 1.15 -0.75 4.35 4.90 1h4iC1 LEU 125 HB2 0.02 -0.06 -0.02 -0.04 1.64 1.54 1h4iC1 LEU 125 HB3 -0.04 0.02 -0.06 -0.04 1.64 1.52 1h4iC1 LEU 125 HG -0.11 -0.04 -0.53 -0.04 1.64 0.92 1h4iC1 LEU 125 HD13 0.06 0.00 -0.31 -0.04 0.93 0.65 1h4iC1 LEU 125 HD23 -0.10 0.02 -0.17 -0.04 0.89 0.60 1h4iC1 LYS 126 H -0.12 0.59 0.34 -0.55 8.42 8.67 1h4iC1 LYS 126 HA 0.01 0.18 0.87 -0.75 4.32 4.62 1h4iC1 LYS 126 HB2 0.03 0.14 -0.01 -0.04 1.87 1.98 1h4iC1 LYS 126 HB3 0.03 -0.02 -0.27 -0.04 1.79 1.48 1h4iC1 LYS 126 HG2 -0.09 0.01 -0.05 -0.04 1.46 1.30 1h4iC1 LYS 126 HG3 -0.04 -0.04 -0.28 -0.04 1.46 1.07 1h4iC1 LYS 126 HD2 0.05 -0.00 -0.19 -0.04 1.69 1.50 1h4iC1 LYS 126 HD3 -0.03 -0.07 -0.19 -0.04 1.68 1.35 1h4iC1 LYS 126 HE2 -0.02 -0.12 -0.16 -0.04 2.99 2.65 1h4iC1 LYS 126 HE3 0.02 0.11 -0.13 -0.04 2.99 2.94 1h4iC1 THR 127 H 0.03 0.25 0.18 -0.55 8.28 8.18 1h4iC1 THR 127 HA 0.01 0.16 0.93 -0.75 4.39 4.74 1h4iC1 THR 127 HB 0.04 -0.05 -0.08 -0.04 4.32 4.19 1h4iC1 THR 127 HG23 0.05 -0.02 -0.13 -0.04 1.22 1.07 1h4iC1 GLN 128 H 0.04 0.49 0.23 -0.55 8.47 8.67 1h4iC1 GLN 128 HA 0.07 0.25 0.79 -0.75 4.36 4.71 1h4iC1 GLN 128 HB2 0.05 -0.18 0.00 -0.04 2.15 1.98 1h4iC1 GLN 128 HB3 0.07 -0.08 -0.01 -0.04 2.02 1.97 1h4iC1 GLN 128 HG2 0.01 0.21 -0.24 -0.04 2.40 2.34 1h4iC1 GLN 128 HG3 0.00 0.03 -0.43 -0.04 2.39 1.95 1h4iC1 GLN 128 HE21 0.00 0.03 -0.12 -0.04 6.97 6.84 1h4iC1 GLN 128 HE22 0.03 -0.17 -0.11 -0.04 7.69 7.40 1h4iC1 LEU 129 H 0.19 0.20 0.09 -0.55 8.37 8.29 1h4iC1 LEU 129 HA 0.07 0.29 0.45 -0.75 4.35 4.40 1h4iC1 LEU 129 HB2 0.24 0.07 0.10 -0.04 1.64 2.01 1h4iC1 LEU 129 HB3 0.21 -0.06 -0.01 -0.04 1.64 1.74 1h4iC1 LEU 129 HG -0.13 -0.02 -0.08 -0.04 1.64 1.37 1h4iC1 LEU 129 HD13 -0.13 -0.02 -0.19 -0.04 0.93 0.55 1h4iC1 LEU 129 HD23 0.00 0.01 -0.05 -0.04 0.89 0.81 1h4iC1 ASP 130 H 0.14 0.07 -0.30 -0.55 8.40 7.77 1h4iC1 ASP 130 HA 0.05 0.14 0.52 -0.75 4.63 4.57 1h4iC1 ASP 130 HB2 0.07 -0.01 0.20 -0.04 2.71 2.92 1h4iC1 ASP 130 HB3 0.14 -0.01 0.09 -0.04 2.70 2.88 1h4iC1 GLY 131 H 0.05 0.50 -0.50 -0.55 8.43 7.93 1h4iC1 GLY 131 HA2 0.04 0.01 0.23 -0.51 4.01 3.78 1h4iC1 GLY 131 HA3 0.05 0.32 0.66 -0.51 4.01 4.53 1h4iC1 ASN 132 H 0.04 -0.02 -0.17 -0.55 8.53 7.83 1h4iC1 ASN 132 HA 0.03 0.21 0.87 -0.75 4.76 5.11 1h4iC1 ASN 132 HB2 0.02 -0.10 -0.03 -0.04 2.88 2.73 1h4iC1 ASN 132 HB3 0.00 0.09 -0.08 -0.04 2.79 2.77 1h4iC1 ASN 132 HD21 0.03 0.01 -0.07 -0.04 7.03 6.95 1h4iC1 ASN 132 HD22 0.03 -0.10 -0.10 -0.04 7.74 7.53 1h4iC1 VAL 133 H 0.00 0.63 0.38 -0.55 8.24 8.71 1h4iC1 VAL 133 HA -0.03 0.24 0.92 -0.75 4.13 4.51 1h4iC1 VAL 133 HB -0.03 -0.08 0.03 -0.04 2.12 2.01 1h4iC1 VAL 133 HG13 -0.01 0.01 -0.17 -0.04 0.97 0.75 1h4iC1 VAL 133 HG23 -0.01 0.01 -0.18 -0.04 0.95 0.73 1h4iC1 ALA 134 H -0.17 0.71 0.32 -0.55 8.40 8.72 1h4iC1 ALA 134 HA -0.44 0.21 1.04 -0.75 4.34 4.40 1h4iC1 ALA 134 HB3 -0.17 0.00 -0.08 -0.04 1.41 1.12 1h4iC1 ALA 135 H -0.97 0.54 0.33 -0.55 8.40 7.75 1h4iC1 ALA 135 HA -0.54 0.30 1.00 -0.75 4.34 4.36 1h4iC1 ALA 135 HB3 -1.39 -0.04 0.01 -0.04 1.41 -0.06 1h4iC1 LEU 136 H -0.22 0.73 0.32 -0.55 8.37 8.66 1h4iC1 LEU 136 HA -0.26 0.23 1.01 -0.75 4.35 4.58 1h4iC1 LEU 136 HB2 -0.11 -0.07 -0.09 -0.04 1.64 1.32 1h4iC1 LEU 136 HB3 -0.38 0.07 -0.24 -0.04 1.64 1.05 1h4iC1 LEU 136 HG -0.12 -0.00 -0.30 -0.04 1.64 1.17 1h4iC1 LEU 136 HD13 0.08 0.02 -0.16 -0.04 0.93 0.83 1h4iC1 LEU 136 HD23 -0.17 0.04 -0.28 -0.04 0.89 0.44 1h4iC1 ASN 137 H -0.24 0.67 0.15 -0.55 8.53 8.56 1h4iC1 ASN 137 HA -0.07 0.23 0.50 -0.75 4.76 4.67 1h4iC1 ASN 137 HB2 -0.13 0.14 0.11 -0.04 2.88 2.96 1h4iC1 ASN 137 HB3 -0.25 -0.24 0.18 -0.04 2.79 2.44 1h4iC1 ASN 137 HD21 -0.02 0.03 0.01 -0.04 7.03 7.01 1h4iC1 ASN 137 HD22 -0.05 0.07 0.02 -0.04 7.74 7.74 1h4iC1 ALA 138 H 0.04 0.58 0.17 -0.55 8.40 8.64 1h4iC1 ALA 138 HA 0.31 0.11 0.18 -0.75 4.34 4.19 1h4iC1 ALA 138 HB3 0.23 0.00 -0.17 -0.04 1.41 1.42 1h4iC1 GLU 139 H 0.07 -0.00 -0.26 -0.55 8.60 7.85 1h4iC1 GLU 139 HA 0.35 0.25 0.75 -0.75 4.29 4.89 1h4iC1 GLU 139 HB2 0.06 -0.04 -0.02 -0.04 2.09 2.04 1h4iC1 GLU 139 HB3 0.11 0.05 0.02 -0.04 1.99 2.13 1h4iC1 GLU 139 HG2 0.13 -0.10 -0.07 -0.04 2.34 2.26 1h4iC1 GLU 139 HG3 0.08 0.01 -0.02 -0.04 2.34 2.37 1h4iC1 THR 140 H -0.23 -0.05 -0.15 -0.55 8.28 7.30 1h4iC1 THR 140 HA -0.15 0.35 1.02 -0.75 4.39 4.86 1h4iC1 THR 140 HB -0.15 0.06 0.07 -0.04 4.32 4.26 1h4iC1 THR 140 HG23 -0.04 0.00 -0.13 -0.04 1.22 1.01 1h4iC1 GLY 141 H -0.97 0.51 0.02 -0.55 8.43 7.45 1h4iC1 GLY 141 HA2 -2.08 0.07 0.15 -0.51 4.01 1.64 1h4iC1 GLY 141 HA3 -1.82 0.11 0.32 -0.51 4.01 2.10 1h4iC1 GLU 142 H -0.40 -0.06 -0.30 -0.55 8.60 7.29 1h4iC1 GLU 142 HA -0.19 0.11 0.40 -0.75 4.29 3.85 1h4iC1 GLU 142 HB2 -0.15 -0.07 -0.06 -0.04 2.09 1.77 1h4iC1 GLU 142 HB3 -0.12 0.08 0.02 -0.04 1.99 1.93 1h4iC1 GLU 142 HG2 -0.12 0.08 -0.03 -0.04 2.34 2.22 1h4iC1 GLU 142 HG3 -0.20 -0.11 -0.09 -0.04 2.34 1.90 1h4iC1 THR 143 H -0.13 0.12 0.16 -0.55 8.28 7.88 1h4iC1 THR 143 HA -0.20 0.17 0.67 -0.75 4.39 4.27 1h4iC1 THR 143 HB -0.08 -0.04 0.12 -0.04 4.32 4.27 1h4iC1 THR 143 HG23 -0.11 0.01 -0.22 -0.04 1.22 0.85 1h4iC1 VAL 144 H -0.25 0.64 0.37 -0.55 8.24 8.46 1h4iC1 VAL 144 HA -0.03 0.07 0.68 -0.75 4.13 4.09 1h4iC1 VAL 144 HB -0.25 0.01 0.02 -0.04 2.12 1.86 1h4iC1 VAL 144 HG13 0.17 -0.00 -0.10 -0.04 0.97 0.99 1h4iC1 VAL 144 HG23 -0.07 -0.01 -0.10 -0.04 0.95 0.73 1h4iC1 TRP 145 H -0.43 0.26 0.27 -0.55 7.97 7.52 1h4iC1 TRP 145 HA -0.06 0.17 0.57 -0.75 4.62 4.54 1h4iC1 TRP 145 HB2 -0.09 0.01 -0.04 -0.04 3.23 3.07 1h4iC1 TRP 145 HB3 -0.07 0.13 -0.14 -0.04 3.23 3.11 1h4iC1 TRP 145 HD1 -0.10 0.12 -0.35 -0.04 7.22 6.85 1h4iC1 TRP 145 HE1 -0.19 0.44 -0.25 -0.04 10.20 10.16 1h4iC1 TRP 145 HE3 -0.16 0.03 -0.47 -0.04 7.59 6.94 1h4iC1 TRP 145 HZ2 -0.19 0.01 -0.21 -0.04 7.44 7.01 1h4iC1 TRP 145 HZ3 -0.35 0.02 -0.27 -0.04 7.13 6.49 1h4iC1 TRP 145 HH2 -0.24 0.01 -0.27 -0.04 7.19 6.65 1h4iC1 LYS 146 H 0.25 0.28 0.11 -0.55 8.42 8.51 1h4iC1 LYS 146 HA 0.09 0.32 0.84 -0.75 4.32 4.82 1h4iC1 LYS 146 HB2 -0.03 0.01 -0.19 -0.04 1.87 1.62 1h4iC1 LYS 146 HB3 0.03 -0.04 0.04 -0.04 1.79 1.78 1h4iC1 LYS 146 HG2 0.02 -0.00 -0.20 -0.04 1.46 1.24 1h4iC1 LYS 146 HG3 -0.04 0.05 -0.08 -0.04 1.46 1.35 1h4iC1 LYS 146 HD2 -0.03 -0.00 -0.08 -0.04 1.69 1.54 1h4iC1 LYS 146 HD3 0.00 -0.03 -0.09 -0.04 1.68 1.53 1h4iC1 LYS 146 HE2 0.00 -0.04 -0.12 -0.04 2.99 2.80 1h4iC1 LYS 146 HE3 -0.02 0.01 -0.13 -0.04 2.99 2.81 1h4iC1 VAL 147 H 0.14 0.51 0.31 -0.55 8.24 8.65 1h4iC1 VAL 147 HA 0.04 0.18 0.99 -0.75 4.13 4.58 1h4iC1 VAL 147 HB -0.03 0.05 0.06 -0.04 2.12 2.16 1h4iC1 VAL 147 HG13 -0.05 0.02 -0.15 -0.04 0.97 0.75 1h4iC1 VAL 147 HG23 -0.30 0.01 -0.12 -0.04 0.95 0.49 1h4iC1 GLU 148 H 0.03 0.15 0.16 -0.55 8.60 8.40 1h4iC1 GLU 148 HA 0.04 0.09 0.74 -0.75 4.29 4.41 1h4iC1 GLU 148 HB2 0.04 -0.00 0.10 -0.04 2.09 2.19 1h4iC1 GLU 148 HB3 0.05 0.08 -0.06 -0.04 1.99 2.01 1h4iC1 GLU 148 HG2 0.03 0.02 -0.05 -0.04 2.34 2.30 1h4iC1 GLU 148 HG3 0.03 -0.05 0.03 -0.04 2.34 2.30 1h4iC1 ASN 149 H 0.07 0.69 0.38 -0.55 8.53 9.12 1h4iC1 ASN 149 HA 0.20 0.14 0.86 -0.75 4.76 5.20 1h4iC1 ASN 149 HB2 0.11 -0.07 -0.09 -0.04 2.88 2.79 1h4iC1 ASN 149 HB3 0.09 0.07 0.04 -0.04 2.79 2.94 1h4iC1 ASN 149 HD21 -0.04 0.15 -0.11 -0.04 7.03 6.99 1h4iC1 ASN 149 HD22 0.05 -0.06 -0.32 -0.04 7.74 7.37 1h4iC1 SER 150 H 0.09 0.32 0.29 -0.55 8.46 8.61 1h4iC1 SER 150 HA 0.19 0.18 0.84 -0.75 4.49 4.95 1h4iC1 SER 150 HB2 0.05 -0.03 -0.25 -0.04 3.95 3.67 1h4iC1 SER 150 HB3 0.08 -0.05 -0.23 -0.04 3.93 3.69 1h4iC1 ASP 151 H 0.09 0.19 0.10 -0.55 8.40 8.24 1h4iC1 ASP 151 HA 0.04 0.18 0.99 -0.75 4.63 5.08 1h4iC1 ASP 151 HB2 0.04 0.09 -0.09 -0.04 2.71 2.71 1h4iC1 ASP 151 HB3 0.04 0.02 0.14 -0.04 2.70 2.86 1h4iC1 ILE 152 H 0.01 0.26 0.18 -0.55 8.25 8.16 1h4iC1 ILE 152 HA -0.02 0.14 0.31 -0.75 4.18 3.85 1h4iC1 ILE 152 HB -0.04 0.04 -0.04 -0.04 1.89 1.81 1h4iC1 ILE 152 HG12 0.01 0.02 0.14 -0.04 1.49 1.61 1h4iC1 ILE 152 HG13 -0.01 0.01 -0.15 -0.04 1.21 1.02 1h4iC1 ILE 152 HG23 -0.01 0.04 0.00 -0.04 0.93 0.92 1h4iC1 ILE 152 HD13 0.00 -0.02 -0.08 -0.04 0.88 0.74 1h4iC1 LYS 153 H -0.00 0.07 -0.23 -0.55 8.42 7.70 1h4iC1 LYS 153 HA -0.03 0.11 0.30 -0.75 4.32 3.94 1h4iC1 LYS 153 HB2 -0.01 -0.06 0.05 -0.04 1.87 1.81 1h4iC1 LYS 153 HB3 -0.02 0.07 -0.06 -0.04 1.79 1.74 1h4iC1 LYS 153 HG2 -0.01 -0.04 0.01 -0.04 1.46 1.37 1h4iC1 LYS 153 HG3 -0.01 -0.00 0.01 -0.04 1.46 1.42 1h4iC1 LYS 153 HD2 -0.02 -0.02 0.01 -0.04 1.69 1.62 1h4iC1 LYS 153 HD3 -0.03 0.03 0.01 -0.04 1.68 1.65 1h4iC1 LYS 153 HE2 -0.03 -0.02 0.02 -0.04 2.99 2.92 1h4iC1 LYS 153 HE3 -0.03 -0.02 0.01 -0.04 2.99 2.91 1h4iC1 VAL 154 H -0.01 0.26 -0.51 -0.55 8.24 7.44 1h4iC1 VAL 154 HA -0.04 0.12 0.66 -0.75 4.13 4.11 1h4iC1 VAL 154 HB 0.01 -0.10 -0.03 -0.04 2.12 1.96 1h4iC1 VAL 154 HG13 0.05 0.05 0.00 -0.04 0.97 1.03 1h4iC1 VAL 154 HG23 0.02 0.01 0.02 -0.04 0.95 0.96 1h4iC1 GLY 155 H -0.05 0.43 -0.25 -0.55 8.43 8.01 1h4iC1 GLY 155 HA2 -0.13 0.08 0.29 -0.51 4.01 3.74 1h4iC1 GLY 155 HA3 -0.12 0.13 0.64 -0.51 4.01 4.16 1h4iC1 SER 156 H -0.00 0.31 -0.06 -0.55 8.46 8.16 1h4iC1 SER 156 HA 0.01 0.29 0.83 -0.75 4.49 4.86 1h4iC1 SER 156 HB2 0.08 0.05 -0.06 -0.04 3.95 3.99 1h4iC1 SER 156 HB3 0.07 -0.25 0.07 -0.04 3.93 3.78 1h4iC1 THR 157 H -0.01 0.31 0.14 -0.55 8.28 8.16 1h4iC1 THR 157 HA 0.01 0.23 0.79 -0.75 4.39 4.66 1h4iC1 THR 157 HB -0.02 0.02 0.08 -0.04 4.32 4.36 1h4iC1 THR 157 HG23 -0.05 0.01 -0.33 -0.04 1.22 0.81 1h4iC1 LEU 158 H 0.02 0.34 0.18 -0.55 8.37 8.36 1h4iC1 LEU 158 HA 0.03 0.09 0.95 -0.75 4.35 4.66 1h4iC1 LEU 158 HB2 0.04 0.22 0.04 -0.04 1.64 1.90 1h4iC1 LEU 158 HB3 0.04 0.03 -0.16 -0.04 1.64 1.52 1h4iC1 LEU 158 HG 0.03 -0.08 -0.31 -0.04 1.64 1.24 1h4iC1 LEU 158 HD13 0.04 0.01 -0.18 -0.04 0.93 0.76 1h4iC1 LEU 158 HD23 0.01 0.04 -0.14 -0.04 0.89 0.76 1h4iC1 THR 159 H 0.05 -0.01 0.09 -0.55 8.28 7.86 1h4iC1 THR 159 HA 0.07 0.32 0.86 -0.75 4.39 4.88 1h4iC1 THR 159 HB 0.06 -0.04 -0.07 -0.04 4.32 4.23 1h4iC1 THR 159 HG23 -0.02 0.01 -0.19 -0.04 1.22 0.98 1h4iC1 ILE 160 H 0.07 -0.17 0.10 -0.55 8.25 7.70 1h4iC1 ILE 160 HA -0.02 0.13 0.48 -0.75 4.18 4.02 1h4iC1 ILE 160 HB 0.08 -0.09 0.16 -0.04 1.89 2.00 1h4iC1 ILE 160 HG12 0.06 0.35 -0.06 -0.04 1.49 1.80 1h4iC1 ILE 160 HG13 -0.16 0.23 -0.02 -0.04 1.21 1.21 1h4iC1 ILE 160 HG23 0.06 -0.05 -0.11 -0.04 0.93 0.78 1h4iC1 ILE 160 HD13 -0.10 -0.09 -0.14 -0.04 0.88 0.51 1h4iC1 ALA 161 H -0.06 0.17 0.14 -0.55 8.40 8.12 1h4iC1 ALA 161 HA 0.08 0.24 0.66 -0.75 4.34 4.56 1h4iC1 ALA 161 HB3 0.21 -0.01 -0.17 -0.04 1.41 1.40 1h4iC1 PRO 162 HA 0.13 0.19 0.50 -0.51 4.44 4.74 1h4iC1 PRO 162 HB2 0.09 -0.05 -0.21 -0.04 2.28 2.07 1h4iC1 PRO 162 HB3 0.07 -0.03 -0.13 -0.04 2.02 1.90 1h4iC1 PRO 162 HG2 0.04 -0.02 -0.47 -0.04 2.03 1.53 1h4iC1 PRO 162 HG3 0.05 0.02 -0.20 -0.04 2.03 1.86 1h4iC1 PRO 162 HD2 0.10 0.14 0.12 -0.04 3.68 4.00 1h4iC1 PRO 162 HD3 0.07 0.16 0.25 -0.04 3.65 4.09 1h4iC1 TYR 163 H 0.10 0.34 0.20 -0.55 8.29 8.38 1h4iC1 TYR 163 HA 0.12 0.16 0.79 -0.75 4.56 4.87 1h4iC1 TYR 163 HB2 -0.08 0.11 -0.17 -0.04 3.06 2.88 1h4iC1 TYR 163 HB3 -0.36 -0.09 0.03 -0.04 2.98 2.52 1h4iC1 TYR 163 HD2 0.10 0.03 -0.09 -0.04 7.15 7.15 1h4iC1 TYR 163 HE2 0.32 0.06 -0.12 -0.04 6.85 7.07 1h4iC1 VAL 164 H -0.22 0.22 0.12 -0.55 8.24 7.80 1h4iC1 VAL 164 HA -0.03 0.32 1.11 -0.75 4.13 4.78 1h4iC1 VAL 164 HB 0.03 0.03 0.14 -0.04 2.12 2.29 1h4iC1 VAL 164 HG13 0.21 -0.02 -0.16 -0.04 0.97 0.97 1h4iC1 VAL 164 HG23 0.07 -0.02 -0.28 -0.04 0.95 0.68 1h4iC1 VAL 165 H -0.06 0.56 0.16 -0.55 8.24 8.34 1h4iC1 VAL 165 HA -0.15 0.19 0.83 -0.75 4.13 4.24 1h4iC1 VAL 165 HB -0.21 -0.00 0.01 -0.04 2.12 1.88 1h4iC1 VAL 165 HG13 -0.99 -0.02 -0.14 -0.04 0.97 -0.21 1h4iC1 VAL 165 HG23 -0.25 0.01 -0.31 -0.04 0.95 0.36 1h4iC1 LYS 166 H 0.01 0.48 0.15 -0.55 8.42 8.51 1h4iC1 LYS 166 HA 0.10 -0.07 0.40 -0.75 4.32 4.00 1h4iC1 LYS 166 HB2 0.01 0.14 0.14 -0.04 1.87 2.13 1h4iC1 LYS 166 HB3 0.06 -0.04 0.19 -0.04 1.79 1.96 1h4iC1 LYS 166 HG2 0.01 0.05 -0.03 -0.04 1.46 1.45 1h4iC1 LYS 166 HG3 0.01 0.04 -0.17 -0.04 1.46 1.30 1h4iC1 LYS 166 HD2 0.07 -0.04 0.04 -0.04 1.69 1.73 1h4iC1 LYS 166 HD3 0.10 0.02 0.01 -0.04 1.68 1.77 1h4iC1 LYS 166 HE2 0.06 0.01 -0.03 -0.04 2.99 2.98 1h4iC1 LYS 166 HE3 0.06 0.00 0.00 -0.04 2.99 3.01 1h4iC1 ASP 167 H 0.04 0.15 0.17 -0.55 8.40 8.21 1h4iC1 ASP 167 HA 0.05 0.21 0.85 -0.75 4.63 4.99 1h4iC1 ASP 167 HB2 0.01 0.02 0.14 -0.04 2.71 2.85 1h4iC1 ASP 167 HB3 -0.12 -0.09 0.24 -0.04 2.70 2.69 1h4iC1 LYS 168 H -0.04 0.60 -0.21 -0.55 8.42 8.22 1h4iC1 LYS 168 HA -0.15 0.15 1.13 -0.75 4.32 4.71 1h4iC1 LYS 168 HB2 -0.07 0.09 0.07 -0.04 1.87 1.92 1h4iC1 LYS 168 HB3 -0.16 0.03 0.03 -0.04 1.79 1.65 1h4iC1 LYS 168 HG2 -0.10 0.00 -0.14 -0.04 1.46 1.18 1h4iC1 LYS 168 HG3 -0.04 -0.22 -0.26 -0.04 1.46 0.90 1h4iC1 LYS 168 HD2 0.08 0.10 -0.06 -0.04 1.69 1.77 1h4iC1 LYS 168 HD3 -0.04 0.02 -0.06 -0.04 1.68 1.55 1h4iC1 LYS 168 HE2 0.15 0.21 0.06 -0.04 2.99 3.37 1h4iC1 LYS 168 HE3 0.01 -0.05 -0.06 -0.04 2.99 2.85 1h4iC1 VAL 169 H -0.08 0.55 0.29 -0.55 8.24 8.45 1h4iC1 VAL 169 HA -0.02 0.28 0.99 -0.75 4.13 4.62 1h4iC1 VAL 169 HB 0.14 -0.04 -0.06 -0.04 2.12 2.11 1h4iC1 VAL 169 HG13 0.07 0.01 -0.20 -0.04 0.97 0.81 1h4iC1 VAL 169 HG23 0.12 0.01 -0.23 -0.04 0.95 0.81 1h4iC1 ILE 170 H -0.07 0.74 0.33 -0.55 8.25 8.70 1h4iC1 ILE 170 HA -0.30 0.32 0.95 -0.75 4.18 4.39 1h4iC1 ILE 170 HB -0.44 -0.04 0.07 -0.04 1.89 1.44 1h4iC1 ILE 170 HG12 -0.13 0.07 -0.06 -0.04 1.49 1.34 1h4iC1 ILE 170 HG13 -0.17 -0.01 -0.11 -0.04 1.21 0.87 1h4iC1 ILE 170 HG23 -0.38 0.01 -0.20 -0.04 0.93 0.31 1h4iC1 ILE 170 HD13 -0.23 -0.01 -0.24 -0.04 0.88 0.35 1h4iC1 ILE 171 H -0.15 0.76 0.38 -0.55 8.25 8.68 1h4iC1 ILE 171 HA 0.05 0.12 0.88 -0.75 4.18 4.48 1h4iC1 ILE 171 HB 0.14 -0.01 0.09 -0.04 1.89 2.06 1h4iC1 ILE 171 HG12 0.17 0.00 -0.41 -0.04 1.49 1.21 1h4iC1 ILE 171 HG13 0.15 -0.03 -0.18 -0.04 1.21 1.11 1h4iC1 ILE 171 HG23 0.06 0.06 -0.16 -0.04 0.93 0.84 1h4iC1 ILE 171 HD13 0.07 0.04 -0.25 -0.04 0.88 0.70 1h4iC1 GLY 172 H 0.08 0.12 0.05 -0.55 8.43 8.12 1h4iC1 GLY 172 HA2 -0.06 0.09 0.67 -0.51 4.01 4.19 1h4iC1 GLY 172 HA3 -0.00 0.17 0.49 -0.51 4.01 4.16 1h4iC1 SER 173 H 0.00 0.64 0.33 -0.55 8.46 8.89 1h4iC1 SER 173 HA -0.09 0.14 0.60 -0.75 4.49 4.38 1h4iC1 SER 173 HB2 -0.25 -0.02 0.04 -0.04 3.95 3.68 1h4iC1 SER 173 HB3 -0.62 0.31 -0.05 -0.04 3.93 3.53 1h4iC1 SER 174 H -0.01 0.46 0.27 -0.55 8.46 8.63 1h4iC1 SER 174 HA 0.12 0.00 0.73 -0.75 4.49 4.59 1h4iC1 SER 174 HB2 -0.02 0.26 -0.08 -0.04 3.95 4.07 1h4iC1 SER 174 HB3 -0.10 -0.05 0.02 -0.04 3.93 3.75 1h4iC1 GLY 175 H 0.00 -0.05 0.20 -0.55 8.43 8.04 1h4iC1 GLY 175 HA2 -0.04 0.12 0.35 -0.51 4.01 3.93 1h4iC1 GLY 175 HA3 0.01 0.42 1.04 -0.51 4.01 4.97 1h4iC1 ALA 176 H 0.14 0.01 0.15 -0.55 8.40 8.15 1h4iC1 ALA 176 HA 0.19 0.20 0.39 -0.75 4.34 4.36 1h4iC1 ALA 176 HB3 0.26 0.01 0.10 -0.04 1.41 1.74 1h4iC1 GLU 177 H 0.13 -0.01 -0.31 -0.55 8.60 7.86 1h4iC1 GLU 177 HA 0.25 0.18 0.47 -0.75 4.29 4.44 1h4iC1 GLU 177 HB2 0.12 -0.05 0.01 -0.04 2.09 2.13 1h4iC1 GLU 177 HB3 0.23 0.01 0.02 -0.04 1.99 2.22 1h4iC1 GLU 177 HG2 0.09 0.02 0.01 -0.04 2.34 2.42 1h4iC1 GLU 177 HG3 0.15 0.05 0.03 -0.04 2.34 2.53 1h4iC1 LEU 178 H 0.06 0.50 -0.38 -0.55 8.37 8.01 1h4iC1 LEU 178 HA 0.01 0.08 0.77 -0.75 4.35 4.46 1h4iC1 LEU 178 HB2 -0.11 0.13 0.14 -0.04 1.64 1.76 1h4iC1 LEU 178 HB3 -0.19 0.06 0.05 -0.04 1.64 1.52 1h4iC1 LEU 178 HG -0.95 -0.08 -0.29 -0.04 1.64 0.27 1h4iC1 LEU 178 HD13 -0.30 -0.03 -0.09 -0.04 0.93 0.46 1h4iC1 LEU 178 HD23 -0.75 0.01 -0.14 -0.04 0.89 -0.04 1h4iC1 GLY 179 H 0.27 0.28 -0.33 -0.55 8.43 8.10 1h4iC1 GLY 179 HA2 0.29 0.12 0.27 -0.51 4.01 4.18 1h4iC1 GLY 179 HA3 0.20 0.04 0.38 -0.51 4.01 4.12 1h4iC1 VAL 180 H 0.13 0.18 -0.31 -0.55 8.24 7.69 1h4iC1 VAL 180 HA 0.10 0.17 0.62 -0.75 4.13 4.27 1h4iC1 VAL 180 HB 0.10 -0.28 -0.34 -0.04 2.12 1.56 1h4iC1 VAL 180 HG13 0.16 0.01 -0.31 -0.04 0.97 0.78 1h4iC1 VAL 180 HG23 0.06 0.05 -0.25 -0.04 0.95 0.76 1h4iC1 ARG 181 H 0.12 0.24 0.09 -0.55 8.46 8.36 1h4iC1 ARG 181 HA 0.16 0.07 0.49 -0.75 4.34 4.31 1h4iC1 ARG 181 HB2 0.06 0.16 -0.02 -0.04 1.90 2.05 1h4iC1 ARG 181 HB3 0.19 -0.05 0.13 -0.04 1.80 2.03 1h4iC1 ARG 181 HG2 0.37 0.06 -0.20 -0.04 1.67 1.85 1h4iC1 ARG 181 HG3 0.19 0.03 -0.03 -0.04 1.67 1.82 1h4iC1 ARG 181 HD2 0.14 0.04 0.03 -0.04 3.22 3.39 1h4iC1 ARG 181 HD3 0.14 -0.05 -0.00 -0.04 3.22 3.27 1h4iC1 GLY 182 H 0.23 0.77 -0.02 -0.55 8.43 8.87 1h4iC1 GLY 182 HA2 0.13 -0.08 0.08 -0.51 4.01 3.63 1h4iC1 GLY 182 HA3 0.19 0.10 -0.32 -0.51 4.01 3.46 1h4iC1 TYR 183 H -0.18 0.17 0.12 -0.55 8.29 7.86 1h4iC1 TYR 183 HA -0.14 0.32 0.53 -0.75 4.56 4.52 1h4iC1 TYR 183 HB2 -0.63 0.03 -0.07 -0.04 3.06 2.35 1h4iC1 TYR 183 HB3 -0.76 0.04 -0.11 -0.04 2.98 2.11 1h4iC1 TYR 183 HD2 -0.08 0.13 -0.27 -0.04 7.15 6.89 1h4iC1 TYR 183 HE2 0.02 0.01 -0.05 -0.04 6.85 6.78 1h4iC1 LEU 184 H 0.01 0.54 0.30 -0.55 8.37 8.67 1h4iC1 LEU 184 HA -0.14 0.35 0.92 -0.75 4.35 4.74 1h4iC1 LEU 184 HB2 -0.14 0.03 0.00 -0.04 1.64 1.50 1h4iC1 LEU 184 HB3 -0.12 -0.06 -0.09 -0.04 1.64 1.32 1h4iC1 LEU 184 HG 0.12 -0.03 -0.28 -0.04 1.64 1.40 1h4iC1 LEU 184 HD13 -0.39 -0.01 -0.20 -0.04 0.93 0.28 1h4iC1 LEU 184 HD23 0.15 0.02 -0.07 -0.04 0.89 0.95 1h4iC1 THR 185 H -0.21 0.59 0.37 -0.55 8.28 8.48 1h4iC1 THR 185 HA -0.49 0.33 1.18 -0.75 4.39 4.66 1h4iC1 THR 185 HB -0.21 -0.06 0.04 -0.04 4.32 4.05 1h4iC1 THR 185 HG23 -0.76 0.00 -0.09 -0.04 1.22 0.33 1h4iC1 ALA 186 H -1.10 0.62 0.39 -0.55 8.40 7.76 1h4iC1 ALA 186 HA -0.61 0.33 0.98 -0.75 4.34 4.28 1h4iC1 ALA 186 HB3 -1.50 -0.02 0.03 -0.04 1.41 -0.12 1h4iC1 TYR 187 H -0.15 0.59 0.30 -0.55 8.29 8.48 1h4iC1 TYR 187 HA -0.29 0.21 0.94 -0.75 4.56 4.66 1h4iC1 TYR 187 HB2 -0.20 -0.03 -0.11 -0.04 3.06 2.68 1h4iC1 TYR 187 HB3 -0.46 -0.05 -0.28 -0.04 2.98 2.14 1h4iC1 TYR 187 HD2 -0.20 0.12 -0.33 -0.04 7.15 6.70 1h4iC1 TYR 187 HE2 -0.08 0.02 -0.12 -0.04 6.85 6.63 1h4iC1 ASP 188 H -0.20 0.74 0.19 -0.55 8.40 8.58 1h4iC1 ASP 188 HA -0.19 0.21 0.69 -0.75 4.63 4.58 1h4iC1 ASP 188 HB2 -0.16 0.14 0.13 -0.04 2.71 2.77 1h4iC1 ASP 188 HB3 -0.26 -0.18 0.24 -0.04 2.70 2.47 1h4iC1 VAL 189 H -0.28 0.68 0.27 -0.55 8.24 8.37 1h4iC1 VAL 189 HA 0.02 0.08 0.09 -0.75 4.13 3.57 1h4iC1 VAL 189 HB -0.38 0.02 -0.35 -0.04 2.12 1.37 1h4iC1 VAL 189 HG13 -1.54 0.03 -0.14 -0.04 0.97 -0.71 1h4iC1 VAL 189 HG23 -0.34 0.01 -0.14 -0.04 0.95 0.44 1h4iC1 LYS 190 H -0.34 0.00 -0.41 -0.55 8.42 7.12 1h4iC1 LYS 190 HA -0.11 0.24 0.65 -0.75 4.32 4.35 1h4iC1 LYS 190 HB2 -0.16 0.00 -0.04 -0.04 1.87 1.63 1h4iC1 LYS 190 HB3 -0.10 0.01 0.04 -0.04 1.79 1.70 1h4iC1 LYS 190 HG2 -0.71 0.03 -0.12 -0.04 1.46 0.63 1h4iC1 LYS 190 HG3 -0.43 -0.04 -0.01 -0.04 1.46 0.94 1h4iC1 LYS 190 HD2 -0.07 0.03 -0.01 -0.04 1.69 1.60 1h4iC1 LYS 190 HD3 0.05 -0.06 -0.01 -0.04 1.68 1.62 1h4iC1 LYS 190 HE2 0.09 -0.01 0.00 -0.04 2.99 3.02 1h4iC1 LYS 190 HE3 0.08 -0.01 -0.02 -0.04 2.99 3.01 1h4iC1 THR 191 H -0.42 0.05 -0.05 -0.55 8.28 7.30 1h4iC1 THR 191 HA -0.29 0.34 1.04 -0.75 4.39 4.73 1h4iC1 THR 191 HB -0.22 0.06 0.04 -0.04 4.32 4.16 1h4iC1 THR 191 HG23 -0.12 -0.00 -0.16 -0.04 1.22 0.89 1h4iC1 GLY 192 H -1.08 0.51 0.09 -0.55 8.43 7.41 1h4iC1 GLY 192 HA2 -2.00 0.05 0.14 -0.51 4.01 1.69 1h4iC1 GLY 192 HA3 -1.40 0.14 0.49 -0.51 4.01 2.73 1h4iC1 GLU 193 H -0.41 -0.08 -0.17 -0.55 8.60 7.39 1h4iC1 GLU 193 HA -0.14 0.12 0.46 -0.75 4.29 3.97 1h4iC1 GLU 193 HB2 -0.17 0.02 0.02 -0.04 2.09 1.91 1h4iC1 GLU 193 HB3 -0.18 -0.13 0.09 -0.04 1.99 1.73 1h4iC1 GLU 193 HG2 -0.11 0.11 -0.27 -0.04 2.34 2.03 1h4iC1 GLU 193 HG3 -0.10 0.03 0.01 -0.04 2.34 2.25 1h4iC1 GLN 194 H -0.07 0.14 0.18 -0.55 8.47 8.17 1h4iC1 GLN 194 HA -0.44 0.10 0.62 -0.75 4.36 3.89 1h4iC1 GLN 194 HB2 -0.13 0.03 0.11 -0.04 2.15 2.12 1h4iC1 GLN 194 HB3 -0.11 -0.04 0.13 -0.04 2.02 1.96 1h4iC1 GLN 194 HG2 -0.19 -0.01 -0.35 -0.04 2.40 1.81 1h4iC1 GLN 194 HG3 -0.51 0.06 -0.04 -0.04 2.39 1.86 1h4iC1 GLN 194 HE21 -0.06 0.01 -0.07 -0.04 6.97 6.81 1h4iC1 GLN 194 HE22 -0.07 -0.02 -0.16 -0.04 7.69 7.40 1h4iC1 VAL 195 H -0.38 0.65 0.42 -0.55 8.24 8.39 1h4iC1 VAL 195 HA -0.06 0.08 0.76 -0.75 4.13 4.15 1h4iC1 VAL 195 HB -0.26 0.03 0.00 -0.04 2.12 1.85 1h4iC1 VAL 195 HG13 0.13 -0.00 -0.06 -0.04 0.97 1.00 1h4iC1 VAL 195 HG23 -0.13 -0.01 -0.12 -0.04 0.95 0.65 1h4iC1 TRP 196 H -0.43 0.30 0.29 -0.55 7.97 7.58 1h4iC1 TRP 196 HA -0.11 0.12 0.59 -0.75 4.62 4.47 1h4iC1 TRP 196 HB2 -0.09 0.08 -0.06 -0.04 3.23 3.13 1h4iC1 TRP 196 HB3 -0.09 0.11 -0.19 -0.04 3.23 3.02 1h4iC1 TRP 196 HD1 -0.09 0.12 -0.32 -0.04 7.22 6.90 1h4iC1 TRP 196 HE1 -0.08 0.32 -0.29 -0.04 10.20 10.11 1h4iC1 TRP 196 HE3 -0.11 0.05 -0.57 -0.04 7.59 6.92 1h4iC1 TRP 196 HZ2 -0.09 0.02 -0.16 -0.04 7.44 7.17 1h4iC1 TRP 196 HZ3 -0.12 0.05 -0.19 -0.04 7.13 6.83 1h4iC1 TRP 196 HH2 -0.10 -0.00 -0.21 -0.04 7.19 6.83 1h4iC1 ARG 197 H 0.21 0.27 0.13 -0.55 8.46 8.52 1h4iC1 ARG 197 HA 0.05 0.34 1.05 -0.75 4.34 5.03 1h4iC1 ARG 197 HB2 -0.10 -0.04 -0.12 -0.04 1.90 1.59 1h4iC1 ARG 197 HB3 0.02 -0.06 0.06 -0.04 1.80 1.78 1h4iC1 ARG 197 HG2 -0.31 -0.02 -0.27 -0.04 1.67 1.03 1h4iC1 ARG 197 HG3 -0.14 0.12 -0.12 -0.04 1.67 1.49 1h4iC1 ARG 197 HD2 -0.09 -0.07 -0.07 -0.04 3.22 2.95 1h4iC1 ARG 197 HD3 -0.43 0.00 -0.11 -0.04 3.22 2.65 1h4iC1 ALA 198 H 0.17 0.52 0.30 -0.55 8.40 8.84 1h4iC1 ALA 198 HA 0.12 0.28 1.03 -0.75 4.34 5.01 1h4iC1 ALA 198 HB3 0.03 0.03 -0.04 -0.04 1.41 1.39 1h4iC1 TYR 199 H 0.30 0.65 0.22 -0.55 8.29 8.92 1h4iC1 TYR 199 HA 0.17 0.21 0.95 -0.75 4.56 5.14 1h4iC1 TYR 199 HB2 0.05 -0.02 -0.09 -0.04 3.06 2.96 1h4iC1 TYR 199 HB3 0.13 -0.06 0.11 -0.04 2.98 3.11 1h4iC1 TYR 199 HD2 0.08 0.15 -0.04 -0.04 7.15 7.31 1h4iC1 TYR 199 HE2 -0.10 -0.00 -0.09 -0.04 6.85 6.62 1h4iC1 ALA 200 H 0.31 0.48 0.13 -0.55 8.40 8.78 1h4iC1 ALA 200 HA 0.27 0.15 0.68 -0.75 4.34 4.68 1h4iC1 ALA 200 HB3 0.30 -0.00 -0.06 -0.04 1.41 1.61 1h4iC1 THR 201 H 0.28 0.12 -0.02 -0.55 8.28 8.11 1h4iC1 THR 201 HA 0.30 0.30 0.80 -0.75 4.39 5.04 1h4iC1 THR 201 HB -0.05 -0.01 0.13 -0.04 4.32 4.35 1h4iC1 THR 201 HG23 0.32 0.02 -0.32 -0.04 1.22 1.20 1h4iC1 GLY 202 H -0.23 0.53 0.07 -0.55 8.43 8.26 1h4iC1 GLY 202 HA2 -1.80 0.00 0.11 -0.51 4.01 1.81 1h4iC1 GLY 202 HA3 -0.72 0.18 0.62 -0.51 4.01 3.58 1h4iC1 PRO 203 HA -0.24 -0.01 0.42 -0.51 4.44 4.10 1h4iC1 PRO 203 HB2 -0.18 -0.09 0.06 -0.04 2.28 2.03 1h4iC1 PRO 203 HB3 -0.16 0.03 0.10 -0.04 2.02 1.95 1h4iC1 PRO 203 HG2 -0.21 0.09 0.07 -0.04 2.03 1.94 1h4iC1 PRO 203 HG3 -0.39 0.06 0.06 -0.04 2.03 1.71 1h4iC1 PRO 203 HD2 -0.46 0.19 0.17 -0.04 3.68 3.55 1h4iC1 PRO 203 HD3 -1.64 0.16 0.14 -0.04 3.65 2.27 1h4iC1 ASP 204 H -0.08 0.12 0.17 -0.55 8.40 8.06 1h4iC1 ASP 204 HA -0.06 0.17 0.32 -0.75 4.63 4.30 1h4iC1 ASP 204 HB2 -0.04 0.00 0.10 -0.04 2.71 2.73 1h4iC1 ASP 204 HB3 -0.06 0.09 0.03 -0.04 2.70 2.72 1h4iC1 LYS 205 H -0.08 0.02 -0.32 -0.55 8.42 7.49 1h4iC1 LYS 205 HA -0.06 0.09 0.39 -0.75 4.32 4.00 1h4iC1 LYS 205 HB2 -0.05 0.10 -0.04 -0.04 1.87 1.85 1h4iC1 LYS 205 HB3 -0.04 0.03 0.08 -0.04 1.79 1.81 1h4iC1 LYS 205 HG2 -0.08 -0.06 -0.00 -0.04 1.46 1.27 1h4iC1 LYS 205 HG3 -0.05 0.07 0.01 -0.04 1.46 1.45 1h4iC1 LYS 205 HD2 -0.04 0.08 0.02 -0.04 1.69 1.70 1h4iC1 LYS 205 HD3 -0.06 -0.15 0.04 -0.04 1.68 1.48 1h4iC1 LYS 205 HE2 -0.09 0.02 0.04 -0.04 2.99 2.92 1h4iC1 LYS 205 HE3 -0.05 0.08 0.03 -0.04 2.99 3.01 1h4iC1 ASP 206 H -0.09 0.14 -0.28 -0.55 8.40 7.62 1h4iC1 ASP 206 HA 0.02 0.09 0.40 -0.75 4.63 4.38 1h4iC1 ASP 206 HB2 -0.14 0.17 0.02 -0.04 2.71 2.72 1h4iC1 ASP 206 HB3 -0.14 0.05 -0.04 -0.04 2.70 2.53 1h4iC1 LEU 207 H -0.06 0.19 -0.30 -0.55 8.37 7.65 1h4iC1 LEU 207 HA -0.01 0.29 0.40 -0.75 4.35 4.28 1h4iC1 LEU 207 HB2 -0.14 -0.09 -0.03 -0.04 1.64 1.35 1h4iC1 LEU 207 HB3 -0.21 0.02 -0.10 -0.04 1.64 1.31 1h4iC1 LEU 207 HG -0.00 0.12 -0.54 -0.04 1.64 1.17 1h4iC1 LEU 207 HD13 0.21 -0.06 -0.18 -0.04 0.93 0.86 1h4iC1 LEU 207 HD23 0.19 0.01 -0.52 -0.04 0.89 0.53 1h4iC1 LEU 208 H -0.09 0.22 -0.51 -0.55 8.37 7.45 1h4iC1 LEU 208 HA -0.12 -0.01 0.28 -0.75 4.35 3.74 1h4iC1 LEU 208 HB2 -0.08 0.07 -0.41 -0.04 1.64 1.19 1h4iC1 LEU 208 HB3 -0.23 0.08 0.17 -0.04 1.64 1.62 1h4iC1 LEU 208 HG -0.07 0.03 0.00 -0.04 1.64 1.56 1h4iC1 LEU 208 HD13 -0.18 0.02 -0.16 -0.04 0.93 0.56 1h4iC1 LEU 208 HD23 -0.20 -0.05 -0.17 -0.04 0.89 0.43 1h4iC1 LEU 209 H -0.19 0.13 -0.03 -0.55 8.37 7.73 1h4iC1 LEU 209 HA -0.34 0.08 0.70 -0.75 4.35 4.04 1h4iC1 LEU 209 HB2 -0.20 -0.09 -0.01 -0.04 1.64 1.31 1h4iC1 LEU 209 HB3 -0.39 0.09 0.00 -0.04 1.64 1.30 1h4iC1 LEU 209 HG -0.35 -0.02 -0.15 -0.04 1.64 1.07 1h4iC1 LEU 209 HD13 -0.27 -0.03 -0.08 -0.04 0.93 0.51 1h4iC1 LEU 209 HD23 -1.37 0.04 -0.17 -0.04 0.89 -0.65 1h4iC1 ALA 210 H -0.04 0.59 0.19 -0.55 8.40 8.59 1h4iC1 ALA 210 HA -0.05 0.06 0.49 -0.75 4.34 4.08 1h4iC1 ALA 210 HB3 0.01 0.00 -0.10 -0.04 1.41 1.28 1h4iC1 SER 211 H -0.01 0.13 0.12 -0.55 8.46 8.15 1h4iC1 SER 211 HA 0.02 0.10 0.39 -0.75 4.49 4.24 1h4iC1 SER 211 HB2 0.01 0.03 0.06 -0.04 3.95 4.01 1h4iC1 SER 211 HB3 -0.01 0.02 0.12 -0.04 3.93 4.03 1h4iC1 ASP 212 H 0.03 0.00 -0.32 -0.55 8.40 7.57 1h4iC1 ASP 212 HA 0.03 0.23 0.63 -0.75 4.63 4.77 1h4iC1 ASP 212 HB2 0.01 -0.00 0.15 -0.04 2.71 2.83 1h4iC1 ASP 212 HB3 0.01 -0.01 -0.00 -0.04 2.70 2.65 1h4iC1 PHE 213 H 0.18 0.48 -0.55 -0.55 8.34 7.89 1h4iC1 PHE 213 HA -0.01 0.13 0.37 -0.75 4.62 4.36 1h4iC1 PHE 213 HB2 -0.06 -0.01 0.12 -0.04 3.15 3.16 1h4iC1 PHE 213 HB3 -0.02 -0.03 0.02 -0.04 3.06 2.99 1h4iC1 PHE 213 HD2 -0.04 -0.03 -0.36 -0.04 7.28 6.81 1h4iC1 PHE 213 HE2 -0.12 0.07 -0.38 -0.04 7.38 6.91 1h4iC1 PHE 213 HZ -1.29 0.04 -0.14 -0.04 7.32 5.89 1h4iC1 ASN 214 H -0.34 0.50 0.26 -0.55 8.53 8.41 1h4iC1 ASN 214 HA -0.28 -0.02 0.34 -0.75 4.76 4.05 1h4iC1 ASN 214 HB2 -0.68 0.11 -0.25 -0.04 2.88 2.02 1h4iC1 ASN 214 HB3 -0.27 -0.03 0.04 -0.04 2.79 2.49 1h4iC1 ASN 214 HD21 -0.21 0.29 0.10 -0.04 7.03 7.18 1h4iC1 ASN 214 HD22 -0.29 0.51 0.05 -0.04 7.74 7.97 1h4iC1 ILE 215 H -0.08 0.42 -0.19 -0.55 8.25 7.85 1h4iC1 ILE 215 HA -0.05 0.06 0.18 -0.75 4.18 3.62 1h4iC1 ILE 215 HB -0.02 0.27 0.16 -0.04 1.89 2.26 1h4iC1 ILE 215 HG12 -0.01 -0.02 0.02 -0.04 1.49 1.44 1h4iC1 ILE 215 HG13 0.00 0.01 -0.05 -0.04 1.21 1.14 1h4iC1 ILE 215 HG23 -0.03 -0.04 -0.16 -0.04 0.93 0.65 1h4iC1 ILE 215 HD13 -0.00 -0.03 0.01 -0.04 0.88 0.82 1h4iC1 LYS 216 H -0.11 0.08 -0.17 -0.55 8.42 7.67 1h4iC1 LYS 216 HA -0.08 0.12 0.66 -0.75 4.32 4.27 1h4iC1 LYS 216 HB2 -0.14 0.09 0.03 -0.04 1.87 1.81 1h4iC1 LYS 216 HB3 -0.11 -0.03 0.02 -0.04 1.79 1.63 1h4iC1 LYS 216 HG2 -0.06 -0.04 -0.04 -0.04 1.46 1.29 1h4iC1 LYS 216 HG3 -0.07 -0.03 0.00 -0.04 1.46 1.32 1h4iC1 LYS 216 HD2 -0.07 -0.01 0.02 -0.04 1.69 1.59 1h4iC1 LYS 216 HD3 -0.05 0.04 -0.03 -0.04 1.68 1.60 1h4iC1 LYS 216 HE2 -0.04 -0.01 -0.02 -0.04 2.99 2.88 1h4iC1 LYS 216 HE3 -0.03 0.02 -0.03 -0.04 2.99 2.90 1h4iC1 ASN 217 H -0.24 0.14 -0.34 -0.55 8.53 7.55 1h4iC1 ASN 217 HA -0.11 0.16 0.80 -0.75 4.76 4.86 1h4iC1 ASN 217 HB2 -1.14 0.03 0.13 -0.04 2.88 1.85 1h4iC1 ASN 217 HB3 -1.68 0.01 0.11 -0.04 2.79 1.19 1h4iC1 ASN 217 HD21 -0.25 -0.17 -0.41 -0.04 7.03 6.15 1h4iC1 ASN 217 HD22 -0.34 0.12 -0.15 -0.04 7.74 7.33 1h4iC1 PRO 218 HA -0.04 0.16 0.33 -0.51 4.44 4.38 1h4iC1 PRO 218 HB2 0.03 -0.05 -0.02 -0.04 2.28 2.19 1h4iC1 PRO 218 HB3 -0.01 0.08 0.05 -0.04 2.02 2.10 1h4iC1 PRO 218 HG2 0.04 -0.04 -0.02 -0.04 2.03 1.98 1h4iC1 PRO 218 HG3 -0.01 0.03 0.00 -0.04 2.03 2.01 1h4iC1 PRO 218 HD2 -0.00 0.16 -0.15 -0.04 3.68 3.65 1h4iC1 PRO 218 HD3 -0.06 0.29 -0.35 -0.04 3.65 3.50 1h4iC1 HIS 219 H 0.35 0.11 -0.45 -0.55 8.41 7.87 1h4iC1 HIS 219 HA 0.03 0.05 0.50 -0.75 4.63 4.46 1h4iC1 HIS 219 HB2 0.04 0.03 0.12 -0.04 3.26 3.41 1h4iC1 HIS 219 HB3 -0.01 -0.07 0.06 -0.04 3.20 3.14 1h4iC1 HIS 219 HD2 0.09 0.12 -0.03 -0.04 6.97 7.11 1h4iC1 HIS 219 HE1 -0.32 -0.04 0.05 -0.04 7.75 7.40 1h4iC1 TYR 220 H -0.21 0.57 -0.21 -0.55 8.29 7.90 1h4iC1 TYR 220 HA -0.08 0.06 0.50 -0.75 4.56 4.28 1h4iC1 TYR 220 HB2 -0.09 0.13 0.20 -0.04 3.06 3.25 1h4iC1 TYR 220 HB3 0.09 0.04 0.21 -0.04 2.98 3.28 1h4iC1 TYR 220 HD2 -0.23 0.00 -0.06 -0.04 7.15 6.82 1h4iC1 TYR 220 HE2 -0.19 0.04 -0.03 -0.04 6.85 6.63 1h4iC1 GLY 221 H 0.13 0.21 -0.45 -0.55 8.43 7.77 1h4iC1 GLY 221 HA2 0.16 -0.05 0.28 -0.51 4.01 3.89 1h4iC1 GLY 221 HA3 0.24 0.13 0.72 -0.51 4.01 4.59 1h4iC1 GLN 222 H 0.24 0.05 -0.02 -0.55 8.47 8.19 1h4iC1 GLN 222 HA 0.48 0.29 0.89 -0.75 4.36 5.26 1h4iC1 GLN 222 HB2 0.15 -0.10 0.15 -0.04 2.15 2.32 1h4iC1 GLN 222 HB3 0.22 -0.00 0.11 -0.04 2.02 2.31 1h4iC1 GLN 222 HG2 0.01 0.22 -0.05 -0.04 2.40 2.54 1h4iC1 GLN 222 HG3 0.07 0.01 -0.40 -0.04 2.39 2.02 1h4iC1 GLN 222 HE21 0.01 -0.09 -0.10 -0.04 6.97 6.75 1h4iC1 GLN 222 HE22 0.00 0.32 -0.18 -0.04 7.69 7.79 1h4iC1 LYS 223 H 0.18 0.14 0.14 -0.55 8.42 8.32 1h4iC1 LYS 223 HA 0.18 0.15 0.61 -0.75 4.32 4.51 1h4iC1 LYS 223 HB2 0.09 0.03 0.09 -0.04 1.87 2.03 1h4iC1 LYS 223 HB3 0.07 -0.07 0.11 -0.04 1.79 1.86 1h4iC1 LYS 223 HG2 0.15 0.04 -0.11 -0.04 1.46 1.50 1h4iC1 LYS 223 HG3 0.11 0.05 0.06 -0.04 1.46 1.63 1h4iC1 LYS 223 HD2 0.04 -0.04 -0.01 -0.04 1.69 1.63 1h4iC1 LYS 223 HD3 0.06 0.10 -0.01 -0.04 1.68 1.79 1h4iC1 LYS 223 HE2 0.04 0.04 0.01 -0.04 2.99 3.04 1h4iC1 LYS 223 HE3 0.04 -0.03 0.01 -0.04 2.99 2.97 1h4iC1 GLY 224 H 0.09 0.11 0.18 -0.55 8.43 8.27 1h4iC1 GLY 224 HA2 0.03 -0.05 0.36 -0.51 4.01 3.84 1h4iC1 GLY 224 HA3 0.05 0.15 0.37 -0.51 4.01 4.07 1h4iC1 LEU 225 H 0.24 0.25 -0.35 -0.55 8.37 7.96 1h4iC1 LEU 225 HA 0.02 0.07 0.43 -0.75 4.35 4.11 1h4iC1 LEU 225 HB2 0.14 0.12 -0.10 -0.04 1.64 1.76 1h4iC1 LEU 225 HB3 -0.29 -0.00 -0.04 -0.04 1.64 1.26 1h4iC1 LEU 225 HG 0.19 0.07 -0.32 -0.04 1.64 1.54 1h4iC1 LEU 225 HD13 0.14 0.03 -0.10 -0.04 0.93 0.96 1h4iC1 LEU 225 HD23 -0.00 -0.01 -0.12 -0.04 0.89 0.72 1h4iC1 GLY 226 H 0.21 0.05 -0.18 -0.55 8.43 7.96 1h4iC1 GLY 226 HA2 0.19 0.32 0.30 -0.51 4.01 4.31 1h4iC1 GLY 226 HA3 0.13 0.29 0.19 -0.51 4.01 4.10 1h4iC1 THR 227 H -0.03 -0.03 -0.48 -0.55 8.28 7.19 1h4iC1 THR 227 HA -0.20 0.22 0.82 -0.75 4.39 4.47 1h4iC1 THR 227 HB -0.13 0.05 -0.03 -0.04 4.32 4.17 1h4iC1 THR 227 HG23 -1.00 0.00 -0.35 -0.04 1.22 -0.17 1h4iC1 GLY 228 H 0.04 0.26 0.10 -0.55 8.43 8.29 1h4iC1 GLY 228 HA2 0.06 0.04 0.43 -0.51 4.01 4.03 1h4iC1 GLY 228 HA3 0.04 0.07 0.36 -0.51 4.01 3.97 1h4iC1 THR 229 H 0.08 0.43 -0.24 -0.55 8.28 8.01 1h4iC1 THR 229 HA -0.08 0.17 0.85 -0.75 4.39 4.58 1h4iC1 THR 229 HB -0.29 -0.29 0.28 -0.04 4.32 3.97 1h4iC1 THR 229 HG23 -0.17 0.02 -0.00 -0.04 1.22 1.03 1h4iC1 TRP 230 H 0.27 0.47 -0.50 -0.55 7.97 7.66 1h4iC1 TRP 230 HA 0.08 0.30 0.73 -0.75 4.62 4.97 1h4iC1 TRP 230 HB2 0.25 0.08 -0.06 -0.04 3.23 3.46 1h4iC1 TRP 230 HB3 0.21 -0.05 -0.07 -0.04 3.23 3.27 1h4iC1 TRP 230 HD1 0.02 -0.15 -0.54 -0.04 7.22 6.51 1h4iC1 TRP 230 HE1 0.05 0.24 -0.19 -0.04 10.20 10.25 1h4iC1 TRP 230 HE3 0.11 -0.05 -0.12 -0.04 7.59 7.50 1h4iC1 TRP 230 HZ2 0.12 0.12 -0.09 -0.04 7.44 7.55 1h4iC1 TRP 230 HZ3 0.09 0.16 -0.04 -0.04 7.13 7.30 1h4iC1 TRP 230 HH2 0.11 0.12 0.13 -0.04 7.19 7.51 1h4iC1 GLU 231 H 0.32 0.26 0.10 -0.55 8.60 8.74 1h4iC1 GLU 231 HA 0.15 0.10 0.85 -0.75 4.29 4.64 1h4iC1 GLU 231 HB2 0.09 0.04 0.04 -0.04 2.09 2.22 1h4iC1 GLU 231 HB3 0.14 0.05 0.17 -0.04 1.99 2.30 1h4iC1 GLU 231 HG2 0.09 -0.05 -0.14 -0.04 2.34 2.20 1h4iC1 GLU 231 HG3 0.08 -0.03 0.06 -0.04 2.34 2.41 1h4iC1 GLY 232 H 0.15 0.16 0.12 -0.55 8.43 8.32 1h4iC1 GLY 232 HA2 0.11 0.03 0.33 -0.51 4.01 3.98 1h4iC1 GLY 232 HA3 0.07 0.03 0.38 -0.51 4.01 3.98 1h4iC1 ASP 233 H -0.06 0.15 0.18 -0.55 8.40 8.12 1h4iC1 ASP 233 HA -0.57 0.12 0.55 -0.75 4.63 3.98 1h4iC1 ASP 233 HB2 -0.23 0.03 0.11 -0.04 2.71 2.58 1h4iC1 ASP 233 HB3 -0.54 0.01 0.16 -0.04 2.70 2.29 1h4iC1 ALA 234 H -0.06 0.35 -0.38 -0.55 8.40 7.77 1h4iC1 ALA 234 HA -0.20 0.02 0.34 -0.75 4.34 3.75 1h4iC1 ALA 234 HB3 0.23 0.05 0.11 -0.04 1.41 1.75 1h4iC1 TRP 235 H -0.55 0.11 -0.56 -0.55 7.97 6.42 1h4iC1 TRP 235 HA -1.86 0.15 0.42 -0.75 4.62 2.58 1h4iC1 TRP 235 HB2 -0.82 -0.05 0.04 -0.04 3.23 2.36 1h4iC1 TRP 235 HB3 -1.73 0.09 0.07 -0.04 3.23 1.62 1h4iC1 TRP 235 HD1 -0.12 0.18 0.03 -0.04 7.22 7.28 1h4iC1 TRP 235 HE1 -0.06 -0.01 -0.03 -0.04 10.20 10.05 1h4iC1 TRP 235 HE3 -0.24 0.05 -0.51 -0.04 7.59 6.84 1h4iC1 TRP 235 HZ2 -0.08 -0.04 -0.01 -0.04 7.44 7.27 1h4iC1 TRP 235 HZ3 -0.18 0.05 -0.07 -0.04 7.13 6.89 1h4iC1 TRP 235 HH2 -0.12 -0.02 -0.00 -0.04 7.19 7.01 1h4iC1 LYS 236 H -1.11 0.67 -0.22 -0.55 8.42 7.20 1h4iC1 LYS 236 HA -0.45 0.02 0.41 -0.75 4.32 3.54 1h4iC1 LYS 236 HB2 -0.67 0.11 0.11 -0.04 1.87 1.38 1h4iC1 LYS 236 HB3 -0.48 -0.03 0.05 -0.04 1.79 1.29 1h4iC1 LYS 236 HG2 -1.13 -0.03 0.05 -0.04 1.46 0.31 1h4iC1 LYS 236 HG3 -2.24 -0.02 0.10 -0.04 1.46 -0.74 1h4iC1 LYS 236 HD2 -0.59 -0.01 0.07 -0.04 1.69 1.13 1h4iC1 LYS 236 HD3 -0.42 -0.00 0.03 -0.04 1.68 1.25 1h4iC1 LYS 236 HE2 -0.28 0.00 0.02 -0.04 2.99 2.69 1h4iC1 LYS 236 HE3 -0.50 -0.04 0.04 -0.04 2.99 2.44 1h4iC1 ILE 237 H -0.40 0.33 -0.38 -0.55 8.25 7.25 1h4iC1 ILE 237 HA -0.19 0.23 0.66 -0.75 4.18 4.13 1h4iC1 ILE 237 HB -0.59 0.03 0.21 -0.04 1.89 1.50 1h4iC1 ILE 237 HG12 -0.40 -0.10 0.00 -0.04 1.49 0.95 1h4iC1 ILE 237 HG13 -0.15 0.19 -0.04 -0.04 1.21 1.17 1h4iC1 ILE 237 HG23 -0.93 -0.03 -0.11 -0.04 0.93 -0.19 1h4iC1 ILE 237 HD13 -0.65 -0.03 -0.01 -0.04 0.88 0.15 1h4iC1 GLY 238 H -0.16 0.33 -0.42 -0.55 8.43 7.64 1h4iC1 GLY 238 HA2 0.06 0.27 0.35 -0.51 4.01 4.18 1h4iC1 GLY 238 HA3 -0.36 0.03 0.31 -0.51 4.01 3.48 1h4iC1 GLY 239 H 0.14 0.10 -0.61 -0.55 8.43 7.51 1h4iC1 GLY 239 HA2 0.21 0.14 0.31 -0.51 4.01 4.17 1h4iC1 GLY 239 HA3 0.26 0.18 0.68 -0.51 4.01 4.62 1h4iC1 GLY 240 H 0.26 0.55 0.04 -0.55 8.43 8.73 1h4iC1 GLY 240 HA2 0.25 0.16 0.12 -0.51 4.01 4.02 1h4iC1 GLY 240 HA3 0.28 0.18 0.42 -0.51 4.01 4.38 1h4iC1 THR 241 H 0.24 0.02 -0.18 -0.55 8.28 7.81 1h4iC1 THR 241 HA 0.13 0.06 0.29 -0.75 4.39 4.12 1h4iC1 THR 241 HB 0.20 0.24 -0.47 -0.04 4.32 4.25 1h4iC1 THR 241 HG23 0.12 0.05 -0.45 -0.04 1.22 0.90 1h4iC1 ASN 242 H 0.05 0.20 0.16 -0.55 8.53 8.39 1h4iC1 ASN 242 HA -0.09 0.11 1.03 -0.75 4.76 5.05 1h4iC1 ASN 242 HB2 -0.05 0.11 0.06 -0.04 2.88 2.97 1h4iC1 ASN 242 HB3 0.15 0.09 -0.03 -0.04 2.79 2.96 1h4iC1 ASN 242 HD21 -0.13 -0.00 -0.08 -0.04 7.03 6.77 1h4iC1 ASN 242 HD22 -0.42 0.07 -0.13 -0.04 7.74 7.22 1h4iC1 TRP 243 H -0.68 0.12 0.12 -0.55 7.97 6.99 1h4iC1 TRP 243 HA -0.11 0.15 0.93 -0.75 4.62 4.85 1h4iC1 TRP 243 HB2 -0.05 -0.05 0.15 -0.04 3.23 3.23 1h4iC1 TRP 243 HB3 -0.03 0.15 -0.00 -0.04 3.23 3.30 1h4iC1 TRP 243 HD1 0.03 0.00 -0.11 -0.04 7.22 7.10 1h4iC1 TRP 243 HE1 0.08 -0.08 0.03 -0.04 10.20 10.19 1h4iC1 TRP 243 HE3 -0.03 0.05 -0.11 -0.04 7.59 7.46 1h4iC1 TRP 243 HZ2 0.12 0.01 0.02 -0.04 7.44 7.55 1h4iC1 TRP 243 HZ3 0.10 -0.04 -0.01 -0.04 7.13 7.15 1h4iC1 TRP 243 HH2 0.16 0.00 0.02 -0.04 7.19 7.33 1h4iC1 GLY 244 H -0.48 0.06 -0.02 -0.55 8.43 7.44 1h4iC1 GLY 244 HA2 -0.60 0.06 0.57 -0.51 4.01 3.53 1h4iC1 GLY 244 HA3 -0.49 0.35 0.44 -0.51 4.01 3.80 1h4iC1 TRP 245 H -0.07 0.36 0.15 -0.55 7.97 7.87 1h4iC1 TRP 245 HA -0.04 0.19 0.93 -0.75 4.62 4.94 1h4iC1 TRP 245 HB2 -0.01 -0.07 0.06 -0.04 3.23 3.17 1h4iC1 TRP 245 HB3 0.15 0.08 0.18 -0.04 3.23 3.59 1h4iC1 TRP 245 HD1 -0.00 -0.08 -0.08 -0.04 7.22 7.02 1h4iC1 TRP 245 HE1 0.18 0.75 0.08 -0.04 10.20 11.17 1h4iC1 TRP 245 HE3 0.31 0.03 0.07 -0.04 7.59 7.96 1h4iC1 TRP 245 HZ2 0.39 -0.06 0.11 -0.04 7.44 7.84 1h4iC1 TRP 245 HZ3 0.37 0.02 0.11 -0.04 7.13 7.59 1h4iC1 TRP 245 HH2 0.47 0.04 0.22 -0.04 7.19 7.89 1h4iC1 TYR 246 H 0.26 0.19 0.23 -0.55 8.29 8.42 1h4iC1 TYR 246 HA 0.13 0.42 1.01 -0.75 4.56 5.37 1h4iC1 TYR 246 HB2 -1.20 -0.05 -0.05 -0.04 3.06 1.72 1h4iC1 TYR 246 HB3 -0.19 -0.01 0.09 -0.04 2.98 2.83 1h4iC1 TYR 246 HD2 -0.10 0.03 -0.17 -0.04 7.15 6.87 1h4iC1 TYR 246 HE2 -0.39 0.07 -0.19 -0.04 6.85 6.29 1h4iC1 ALA 247 H 0.35 0.43 0.43 -0.55 8.40 9.06 1h4iC1 ALA 247 HA 0.41 0.22 0.67 -0.75 4.34 4.89 1h4iC1 ALA 247 HB3 0.31 0.04 -0.00 -0.04 1.41 1.71 1h4iC1 TYR 248 H 0.52 0.64 0.30 -0.55 8.29 9.21 1h4iC1 TYR 248 HA 0.17 0.29 0.92 -0.75 4.56 5.19 1h4iC1 TYR 248 HB2 0.27 0.07 -0.19 -0.04 3.06 3.17 1h4iC1 TYR 248 HB3 0.11 -0.03 0.02 -0.04 2.98 3.04 1h4iC1 TYR 248 HD2 -0.71 0.07 -0.29 -0.04 7.15 6.18 1h4iC1 TYR 248 HE2 -0.20 0.01 -0.19 -0.04 6.85 6.43 1h4iC1 ASP 249 H -0.25 0.53 0.13 -0.55 8.40 8.27 1h4iC1 ASP 249 HA -0.11 0.24 0.92 -0.75 4.63 4.92 1h4iC1 ASP 249 HB2 0.23 0.14 -0.04 -0.04 2.71 2.99 1h4iC1 ASP 249 HB3 0.08 -0.07 0.17 -0.04 2.70 2.84 1h4iC1 PRO 250 HA -0.48 0.10 0.50 -0.51 4.44 4.05 1h4iC1 PRO 250 HB2 -0.04 0.03 0.00 -0.04 2.28 2.23 1h4iC1 PRO 250 HB3 0.01 0.04 0.08 -0.04 2.02 2.11 1h4iC1 PRO 250 HG2 0.06 0.06 0.06 -0.04 2.03 2.17 1h4iC1 PRO 250 HG3 -0.11 0.10 -0.00 -0.04 2.03 1.97 1h4iC1 PRO 250 HD2 -0.08 0.07 0.20 -0.04 3.68 3.83 1h4iC1 PRO 250 HD3 -0.19 0.35 0.05 -0.04 3.65 3.82 1h4iC1 GLY 251 H -0.11 0.08 -0.30 -0.55 8.43 7.55 1h4iC1 GLY 251 HA2 -0.03 0.12 0.39 -0.51 4.01 3.99 1h4iC1 GLY 251 HA3 -0.02 0.03 0.22 -0.51 4.01 3.72 1h4iC1 THR 252 H -0.08 0.12 -0.21 -0.55 8.28 7.56 1h4iC1 THR 252 HA 0.01 0.23 0.88 -0.75 4.39 4.75 1h4iC1 THR 252 HB 0.08 0.07 0.08 -0.04 4.32 4.51 1h4iC1 THR 252 HG23 0.09 0.00 -0.12 -0.04 1.22 1.14 1h4iC1 ASN 253 H -0.16 0.22 -0.16 -0.55 8.53 7.88 1h4iC1 ASN 253 HA -0.02 0.02 0.29 -0.75 4.76 4.30 1h4iC1 ASN 253 HB2 0.02 0.07 -0.17 -0.04 2.88 2.76 1h4iC1 ASN 253 HB3 0.02 0.10 0.15 -0.04 2.79 3.02 1h4iC1 ASN 253 HD21 0.06 -0.09 0.08 -0.04 7.03 7.04 1h4iC1 ASN 253 HD22 0.03 0.05 0.09 -0.04 7.74 7.87 1h4iC1 LEU 254 H -0.12 0.02 -0.33 -0.55 8.37 7.39 1h4iC1 LEU 254 HA -0.09 0.31 0.75 -0.75 4.35 4.58 1h4iC1 LEU 254 HB2 -0.37 -0.08 -0.07 -0.04 1.64 1.07 1h4iC1 LEU 254 HB3 -0.54 0.04 -0.21 -0.04 1.64 0.89 1h4iC1 LEU 254 HG -0.01 0.09 -0.21 -0.04 1.64 1.48 1h4iC1 LEU 254 HD13 0.15 0.02 -0.09 -0.04 0.93 0.96 1h4iC1 LEU 254 HD23 -0.09 -0.03 -0.43 -0.04 0.89 0.30 1h4iC1 ILE 255 H -0.06 0.69 0.29 -0.55 8.25 8.62 1h4iC1 ILE 255 HA 0.16 0.21 0.95 -0.75 4.18 4.75 1h4iC1 ILE 255 HB 0.27 0.08 -0.04 -0.04 1.89 2.15 1h4iC1 ILE 255 HG12 0.17 0.09 -0.07 -0.04 1.49 1.64 1h4iC1 ILE 255 HG13 0.33 -0.09 -0.02 -0.04 1.21 1.39 1h4iC1 ILE 255 HG23 0.14 -0.02 -0.11 -0.04 0.93 0.89 1h4iC1 ILE 255 HD13 0.22 0.01 -0.18 -0.04 0.88 0.88 1h4iC1 TYR 256 H 0.29 0.58 0.31 -0.55 8.29 8.92 1h4iC1 TYR 256 HA 0.03 0.43 1.01 -0.75 4.56 5.27 1h4iC1 TYR 256 HB2 0.13 -0.06 0.03 -0.04 3.06 3.11 1h4iC1 TYR 256 HB3 0.04 0.04 -0.01 -0.04 2.98 3.01 1h4iC1 TYR 256 HD2 0.09 0.06 -0.23 -0.04 7.15 7.02 1h4iC1 TYR 256 HE2 0.19 -0.02 -0.14 -0.04 6.85 6.84 1h4iC1 PHE 257 H -0.15 0.51 0.31 -0.55 8.34 8.46 1h4iC1 PHE 257 HA -0.02 0.19 0.48 -0.75 4.62 4.51 1h4iC1 PHE 257 HB2 -0.25 0.04 0.10 -0.04 3.15 3.00 1h4iC1 PHE 257 HB3 0.02 0.07 -0.09 -0.04 3.06 3.01 1h4iC1 PHE 257 HD2 0.11 0.05 -0.51 -0.04 7.28 6.89 1h4iC1 PHE 257 HE2 0.07 -0.01 -0.25 -0.04 7.38 7.15 1h4iC1 PHE 257 HZ -0.12 0.05 -0.20 -0.04 7.32 7.01 1h4iC1 GLY 258 H 0.08 0.24 0.18 -0.55 8.43 8.38 1h4iC1 GLY 258 HA2 -0.10 0.32 1.09 -0.51 4.01 4.81 1h4iC1 GLY 258 HA3 -0.02 0.27 0.35 -0.51 4.01 4.10 1h4iC1 THR 259 H 0.10 0.36 0.24 -0.55 8.28 8.43 1h4iC1 THR 259 HA 0.19 0.13 0.75 -0.75 4.39 4.71 1h4iC1 THR 259 HB 0.27 0.03 0.09 -0.04 4.32 4.67 1h4iC1 THR 259 HG23 0.42 0.02 -0.08 -0.04 1.22 1.53 1h4iC1 GLY 260 H 0.15 0.62 -0.16 -0.55 8.43 8.49 1h4iC1 GLY 260 HA2 0.12 -0.12 0.31 -0.51 4.01 3.81 1h4iC1 GLY 260 HA3 0.24 0.05 0.38 -0.51 4.01 4.17 1h4iC1 ASN 261 H 0.25 0.03 0.20 -0.55 8.53 8.46 1h4iC1 ASN 261 HA 0.14 0.17 0.44 -0.75 4.76 4.76 1h4iC1 ASN 261 HB2 0.02 0.22 0.09 -0.04 2.88 3.17 1h4iC1 ASN 261 HB3 0.10 -0.18 0.03 -0.04 2.79 2.70 1h4iC1 ASN 261 HD21 0.36 -0.12 -0.18 -0.04 7.03 7.04 1h4iC1 ASN 261 HD22 0.07 0.34 -0.15 -0.04 7.74 7.96 1h4iC1 PRO 262 HA 0.34 0.43 0.79 -0.51 4.44 5.49 1h4iC1 PRO 262 HB2 0.19 0.16 -0.01 -0.04 2.28 2.58 1h4iC1 PRO 262 HB3 0.20 0.09 0.15 -0.04 2.02 2.42 1h4iC1 PRO 262 HG2 -0.03 0.09 0.03 -0.04 2.03 2.07 1h4iC1 PRO 262 HG3 -0.09 -0.02 0.10 -0.04 2.03 1.97 1h4iC1 PRO 262 HD2 0.03 -0.12 0.23 -0.04 3.68 3.79 1h4iC1 PRO 262 HD3 0.09 0.19 0.14 -0.04 3.65 4.02 1h4iC1 ALA 263 H 0.36 0.32 -0.09 -0.55 8.40 8.44 1h4iC1 ALA 263 HA 0.26 0.03 0.71 -0.75 4.34 4.58 1h4iC1 ALA 263 HB3 0.34 0.07 0.06 -0.04 1.41 1.85 1h4iC1 PRO 264 HA -0.11 0.17 0.40 -0.51 4.44 4.38 1h4iC1 PRO 264 HB2 -0.47 -0.09 -0.02 -0.04 2.28 1.67 1h4iC1 PRO 264 HB3 -1.78 0.03 -0.02 -0.04 2.02 0.21 1h4iC1 PRO 264 HG2 -0.11 0.16 -0.13 -0.04 2.03 1.91 1h4iC1 PRO 264 HG3 -0.26 -0.04 0.01 -0.04 2.03 1.71 1h4iC1 PRO 264 HD2 0.10 0.14 0.13 -0.04 3.68 4.01 1h4iC1 PRO 264 HD3 0.10 0.07 0.14 -0.04 3.65 3.93 1h4iC1 TRP 265 H 0.13 0.43 0.28 -0.55 7.97 8.27 1h4iC1 TRP 265 HA 0.09 0.08 0.43 -0.75 4.62 4.48 1h4iC1 TRP 265 HB2 -0.11 0.15 -0.05 -0.04 3.23 3.17 1h4iC1 TRP 265 HB3 0.30 -0.06 -0.11 -0.04 3.23 3.31 1h4iC1 TRP 265 HD1 0.04 0.08 -0.07 -0.04 7.22 7.23 1h4iC1 TRP 265 HE1 0.08 -0.09 -0.05 -0.04 10.20 10.10 1h4iC1 TRP 265 HE3 -0.69 0.00 -0.15 -0.04 7.59 6.71 1h4iC1 TRP 265 HZ2 -0.03 -0.06 -0.00 -0.04 7.44 7.31 1h4iC1 TRP 265 HZ3 0.02 0.03 -0.08 -0.04 7.13 7.07 1h4iC1 TRP 265 HH2 0.34 0.03 -0.00 -0.04 7.19 7.52 1h4iC1 ASN 266 H -0.02 0.15 -0.17 -0.55 8.53 7.94 1h4iC1 ASN 266 HA 0.14 -0.01 0.44 -0.75 4.76 4.58 1h4iC1 ASN 266 HB2 -0.16 0.21 0.22 -0.04 2.88 3.11 1h4iC1 ASN 266 HB3 -0.10 0.01 0.12 -0.04 2.79 2.78 1h4iC1 ASN 266 HD21 0.02 -0.10 -0.22 -0.04 7.03 6.69 1h4iC1 ASN 266 HD22 -0.06 0.20 -0.13 -0.04 7.74 7.70 1h4iC1 GLU 267 H 0.01 0.19 0.17 -0.55 8.60 8.43 1h4iC1 GLU 267 HA -0.16 0.25 0.31 -0.75 4.29 3.94 1h4iC1 GLU 267 HB2 -0.39 0.09 0.03 -0.04 2.09 1.77 1h4iC1 GLU 267 HB3 -0.38 0.11 0.17 -0.04 1.99 1.85 1h4iC1 GLU 267 HG2 -0.25 0.11 -0.06 -0.04 2.34 2.10 1h4iC1 GLU 267 HG3 -0.05 -0.28 -0.01 -0.04 2.34 1.95 1h4iC1 THR 268 H 0.03 0.01 -0.25 -0.55 8.28 7.51 1h4iC1 THR 268 HA 0.05 0.12 0.34 -0.75 4.39 4.15 1h4iC1 THR 268 HB 0.04 0.01 -0.06 -0.04 4.32 4.27 1h4iC1 THR 268 HG23 0.04 0.01 0.04 -0.04 1.22 1.27 1h4iC1 MET 269 H 0.03 0.35 -0.61 -0.55 8.47 7.69 1h4iC1 MET 269 HA 0.07 0.08 0.71 -0.75 4.52 4.63 1h4iC1 MET 269 HB2 0.02 0.25 0.03 -0.04 2.15 2.41 1h4iC1 MET 269 HB3 0.10 -0.00 0.14 -0.04 2.03 2.22 1h4iC1 MET 269 HG2 0.06 -0.03 -0.01 -0.04 2.63 2.62 1h4iC1 MET 269 HG3 0.03 -0.13 -0.11 -0.04 2.56 2.31 1h4iC1 MET 269 HE3 0.20 0.04 0.08 -0.04 2.10 2.38 1h4iC1 ARG 270 H 0.08 0.38 -0.51 -0.55 8.46 7.86 1h4iC1 ARG 270 HA 0.17 0.05 0.67 -0.75 4.34 4.48 1h4iC1 ARG 270 HB2 0.19 -0.04 0.06 -0.04 1.90 2.07 1h4iC1 ARG 270 HB3 0.26 0.08 -0.10 -0.04 1.80 2.00 1h4iC1 ARG 270 HG2 0.05 0.00 -0.21 -0.04 1.67 1.47 1h4iC1 ARG 270 HG3 -0.04 0.03 0.06 -0.04 1.67 1.67 1h4iC1 ARG 270 HD2 -0.05 -0.09 -0.11 -0.04 3.22 2.92 1h4iC1 ARG 270 HD3 0.27 0.22 -0.35 -0.04 3.22 3.32 1h4iC1 PRO 271 HA -0.08 0.06 0.51 -0.51 4.44 4.42 1h4iC1 PRO 271 HB2 -0.04 -0.02 -0.00 -0.04 2.28 2.17 1h4iC1 PRO 271 HB3 -0.03 0.02 0.10 -0.04 2.02 2.07 1h4iC1 PRO 271 HG2 0.06 -0.06 0.07 -0.04 2.03 2.05 1h4iC1 PRO 271 HG3 0.04 0.00 0.04 -0.04 2.03 2.06 1h4iC1 PRO 271 HD2 0.10 0.13 -0.04 -0.04 3.68 3.83 1h4iC1 PRO 271 HD3 0.06 0.20 -0.09 -0.04 3.65 3.78 1h4iC1 GLY 272 H -0.30 0.08 0.14 -0.55 8.43 7.80 1h4iC1 GLY 272 HA2 -0.18 -0.09 0.30 -0.51 4.01 3.53 1h4iC1 GLY 272 HA3 -0.21 0.37 0.75 -0.51 4.01 4.41 1h4iC1 ASP 273 H -0.23 0.09 0.21 -0.55 8.40 7.93 1h4iC1 ASP 273 HA -0.15 0.08 0.46 -0.75 4.63 4.27 1h4iC1 ASP 273 HB2 -0.24 -0.05 0.15 -0.04 2.71 2.53 1h4iC1 ASP 273 HB3 -0.26 0.02 0.07 -0.04 2.70 2.49 1h4iC1 ASN 274 H -0.67 0.45 -0.27 -0.55 8.53 7.49 1h4iC1 ASN 274 HA -2.42 0.08 0.17 -0.75 4.76 1.83 1h4iC1 ASN 274 HB2 -0.44 -0.01 0.08 -0.04 2.88 2.47 1h4iC1 ASN 274 HB3 -1.12 -0.00 0.14 -0.04 2.79 1.76 1h4iC1 ASN 274 HD21 -0.43 0.31 -0.24 -0.04 7.03 6.62 1h4iC1 ASN 274 HD22 -1.85 -0.08 -0.04 -0.04 7.74 5.73 1h4iC1 LYS 275 H -0.42 -0.03 -0.18 -0.55 8.42 7.24 1h4iC1 LYS 275 HA -0.30 0.16 0.13 -0.75 4.32 3.55 1h4iC1 LYS 275 HB2 -0.56 -0.03 -0.08 -0.04 1.87 1.16 1h4iC1 LYS 275 HB3 -1.60 -0.01 -0.39 -0.04 1.79 -0.25 1h4iC1 LYS 275 HG2 -1.04 -0.05 -0.04 -0.04 1.46 0.29 1h4iC1 LYS 275 HG3 -0.56 0.01 -0.10 -0.04 1.46 0.77 1h4iC1 LYS 275 HD2 -0.60 -0.10 -0.05 -0.04 1.69 0.90 1h4iC1 LYS 275 HD3 -1.97 -0.00 -0.11 -0.04 1.68 -0.44 1h4iC1 LYS 275 HE2 -0.27 0.26 0.10 -0.04 2.99 3.05 1h4iC1 LYS 275 HE3 -0.55 -0.04 0.01 -0.04 2.99 2.37 1h4iC1 TRP 276 H -0.35 0.13 0.03 -0.55 7.97 7.23 1h4iC1 TRP 276 HA 0.10 -0.07 0.15 -0.75 4.62 4.04 1h4iC1 TRP 276 HB2 0.27 0.57 0.34 -0.04 3.23 4.37 1h4iC1 TRP 276 HB3 0.53 -0.06 0.14 -0.04 3.23 3.79 1h4iC1 TRP 276 HD1 0.11 0.01 -0.21 -0.04 7.22 7.09 1h4iC1 TRP 276 HE1 0.08 -0.19 -0.14 -0.04 10.20 9.90 1h4iC1 TRP 276 HE3 -0.13 0.01 -0.17 -0.04 7.59 7.26 1h4iC1 TRP 276 HZ2 0.29 0.02 -0.27 -0.04 7.44 7.45 1h4iC1 TRP 276 HZ3 -0.11 -0.05 -0.26 -0.04 7.13 6.67 1h4iC1 TRP 276 HH2 0.14 0.20 -0.20 -0.04 7.19 7.29 1h4iC1 THR 277 H 0.21 0.25 -0.16 -0.55 8.28 8.03 1h4iC1 THR 277 HA 0.29 0.01 0.35 -0.75 4.39 4.28 1h4iC1 THR 277 HB 0.21 0.00 0.00 -0.04 4.32 4.49 1h4iC1 THR 277 HG23 0.46 0.01 -0.19 -0.04 1.22 1.46 1h4iC1 MET 278 H 0.15 0.45 0.02 -0.55 8.47 8.54 1h4iC1 MET 278 HA 0.08 0.04 0.41 -0.75 4.52 4.29 1h4iC1 MET 278 HB2 0.01 0.25 -0.06 -0.04 2.15 2.30 1h4iC1 MET 278 HB3 0.04 -0.19 0.23 -0.04 2.03 2.07 1h4iC1 MET 278 HG2 0.09 0.01 -0.25 -0.04 2.63 2.44 1h4iC1 MET 278 HG3 0.08 0.12 -0.02 -0.04 2.56 2.69 1h4iC1 MET 278 HE3 0.16 -0.05 -0.23 -0.04 2.10 1.93 1h4iC1 THR 279 H 0.09 0.15 -0.11 -0.55 8.28 7.86 1h4iC1 THR 279 HA -0.18 0.20 1.30 -0.75 4.39 4.96 1h4iC1 THR 279 HB -0.11 -0.04 -0.67 -0.04 4.32 3.47 1h4iC1 THR 279 HG23 0.28 0.04 -0.62 -0.04 1.22 0.88 1h4iC1 ILE 280 H -0.21 0.63 0.29 -0.55 8.25 8.41 1h4iC1 ILE 280 HA -0.24 0.19 0.76 -0.75 4.18 4.15 1h4iC1 ILE 280 HB -0.00 -0.10 0.17 -0.04 1.89 1.91 1h4iC1 ILE 280 HG12 -0.38 0.05 -0.07 -0.04 1.49 1.06 1h4iC1 ILE 280 HG13 -0.17 0.04 0.07 -0.04 1.21 1.11 1h4iC1 ILE 280 HG23 -0.05 -0.00 -0.20 -0.04 0.93 0.63 1h4iC1 ILE 280 HD13 -0.10 -0.02 -0.09 -0.04 0.88 0.63 1h4iC1 PHE 281 H -0.34 0.72 0.34 -0.55 8.34 8.50 1h4iC1 PHE 281 HA -0.31 0.24 0.98 -0.75 4.62 4.77 1h4iC1 PHE 281 HB2 -1.13 0.05 0.00 -0.04 3.15 2.03 1h4iC1 PHE 281 HB3 -0.47 -0.05 -0.15 -0.04 3.06 2.35 1h4iC1 PHE 281 HD2 -0.23 0.05 -0.04 -0.04 7.28 7.02 1h4iC1 PHE 281 HE2 -0.23 0.06 -0.06 -0.04 7.38 7.11 1h4iC1 PHE 281 HZ -0.27 -0.00 -0.05 -0.04 7.32 6.95 1h4iC1 GLY 282 H -0.39 0.50 0.15 -0.55 8.43 8.15 1h4iC1 GLY 282 HA2 -0.42 0.29 0.70 -0.51 4.01 4.07 1h4iC1 GLY 282 HA3 -1.00 -0.05 0.28 -0.51 4.01 2.72 1h4iC1 ARG 283 H -0.12 0.62 0.16 -0.55 8.46 8.57 1h4iC1 ARG 283 HA -0.16 0.20 0.89 -0.75 4.34 4.51 1h4iC1 ARG 283 HB2 0.15 -0.01 -0.08 -0.04 1.90 1.91 1h4iC1 ARG 283 HB3 -0.25 0.05 -0.30 -0.04 1.80 1.26 1h4iC1 ARG 283 HG2 -0.22 -0.03 -0.21 -0.04 1.67 1.17 1h4iC1 ARG 283 HG3 -0.07 -0.08 -0.28 -0.04 1.67 1.20 1h4iC1 ARG 283 HD2 0.17 -0.07 -0.15 -0.04 3.22 3.13 1h4iC1 ARG 283 HD3 -0.24 0.01 -0.10 -0.04 3.22 2.85 1h4iC1 ASP 284 H -0.21 0.66 0.07 -0.55 8.40 8.37 1h4iC1 ASP 284 HA -0.06 0.22 0.46 -0.75 4.63 4.49 1h4iC1 ASP 284 HB2 -0.11 0.13 0.10 -0.04 2.71 2.79 1h4iC1 ASP 284 HB3 -0.22 -0.25 0.13 -0.04 2.70 2.32 1h4iC1 ALA 285 H 0.07 0.75 0.38 -0.55 8.40 9.06 1h4iC1 ALA 285 HA 0.21 0.12 0.31 -0.75 4.34 4.22 1h4iC1 ALA 285 HB3 0.10 -0.01 0.02 -0.04 1.41 1.48 1h4iC1 ASP 286 H 0.03 0.03 -0.15 -0.55 8.40 7.76 1h4iC1 ASP 286 HA 0.19 0.21 0.63 -0.75 4.63 4.90 1h4iC1 ASP 286 HB2 0.01 -0.03 0.04 -0.04 2.71 2.69 1h4iC1 ASP 286 HB3 0.05 0.04 -0.00 -0.04 2.70 2.74 1h4iC1 THR 287 H -0.20 -0.05 -0.13 -0.55 8.28 7.35 1h4iC1 THR 287 HA -0.19 0.29 0.86 -0.75 4.39 4.60 1h4iC1 THR 287 HB -0.20 0.07 0.03 -0.04 4.32 4.18 1h4iC1 THR 287 HG23 -0.08 -0.01 -0.11 -0.04 1.22 0.98 1h4iC1 GLY 288 H -0.79 0.28 -0.12 -0.55 8.43 7.25 1h4iC1 GLY 288 HA2 -1.82 0.14 0.15 -0.51 4.01 1.97 1h4iC1 GLY 288 HA3 -2.89 0.09 0.26 -0.51 4.01 0.96 1h4iC1 GLU 289 H -0.45 -0.14 -0.38 -0.55 8.60 7.08 1h4iC1 GLU 289 HA -0.31 0.53 0.43 -0.75 4.29 4.19 1h4iC1 GLU 289 HB2 -0.18 -0.15 -0.01 -0.04 2.09 1.70 1h4iC1 GLU 289 HB3 -0.15 -0.02 -0.25 -0.04 1.99 1.53 1h4iC1 GLU 289 HG2 -0.20 0.15 -0.25 -0.04 2.34 2.00 1h4iC1 GLU 289 HG3 -0.24 -0.04 -0.18 -0.04 2.34 1.83 1h4iC1 ALA 290 H -0.25 0.62 0.41 -0.55 8.40 8.64 1h4iC1 ALA 290 HA -0.11 0.14 0.79 -0.75 4.34 4.40 1h4iC1 ALA 290 HB3 -0.16 0.03 0.06 -0.04 1.41 1.30 1h4iC1 LYS 291 H -0.05 0.64 0.43 -0.55 8.42 8.88 1h4iC1 LYS 291 HA 0.10 -0.01 0.61 -0.75 4.32 4.27 1h4iC1 LYS 291 HB2 -0.01 0.08 0.06 -0.04 1.87 1.97 1h4iC1 LYS 291 HB3 0.15 0.01 -0.04 -0.04 1.79 1.87 1h4iC1 LYS 291 HG2 0.03 -0.09 -0.05 -0.04 1.46 1.31 1h4iC1 LYS 291 HG3 -0.02 0.01 -0.07 -0.04 1.46 1.33 1h4iC1 LYS 291 HD2 0.07 0.06 -0.04 -0.04 1.69 1.73 1h4iC1 LYS 291 HD3 0.06 -0.02 -0.01 -0.04 1.68 1.68 1h4iC1 LYS 291 HE2 0.01 -0.08 -0.02 -0.04 2.99 2.86 1h4iC1 LYS 291 HE3 -0.01 -0.04 -0.05 -0.04 2.99 2.85 1h4iC1 PHE 292 H -0.10 0.37 0.23 -0.55 8.34 8.29 1h4iC1 PHE 292 HA -0.31 0.01 0.44 -0.75 4.62 4.01 1h4iC1 PHE 292 HB2 -0.05 0.04 0.05 -0.04 3.15 3.15 1h4iC1 PHE 292 HB3 -0.06 0.07 -0.14 -0.04 3.06 2.90 1h4iC1 PHE 292 HD2 0.02 0.05 -0.36 -0.04 7.28 6.95 1h4iC1 PHE 292 HE2 0.12 0.12 -0.33 -0.04 7.38 7.26 1h4iC1 PHE 292 HZ 0.18 -0.01 -0.24 -0.04 7.32 7.22 1h4iC1 GLY 293 H -0.06 0.26 0.01 -0.55 8.43 8.09 1h4iC1 GLY 293 HA2 -0.41 0.35 0.50 -0.51 4.01 3.94 1h4iC1 GLY 293 HA3 -0.51 0.02 0.32 -0.51 4.01 3.33 1h4iC1 TYR 294 H -0.05 0.56 0.16 -0.55 8.29 8.42 1h4iC1 TYR 294 HA -0.37 0.22 0.99 -0.75 4.56 4.65 1h4iC1 TYR 294 HB2 -0.58 0.03 0.04 -0.04 3.06 2.52 1h4iC1 TYR 294 HB3 -0.26 -0.06 0.16 -0.04 2.98 2.78 1h4iC1 TYR 294 HD2 -1.01 -0.05 -0.02 -0.04 7.15 6.02 1h4iC1 TYR 294 HE2 -0.50 0.01 -0.03 -0.04 6.85 6.28 1h4iC1 GLN 295 H -0.33 0.25 0.06 -0.55 8.47 7.90 1h4iC1 GLN 295 HA -0.30 0.11 0.65 -0.75 4.36 4.07 1h4iC1 GLN 295 HB2 -0.18 -0.06 -0.04 -0.04 2.15 1.82 1h4iC1 GLN 295 HB3 -0.32 0.03 0.08 -0.04 2.02 1.78 1h4iC1 GLN 295 HG2 -0.21 -0.10 -0.54 -0.04 2.40 1.51 1h4iC1 GLN 295 HG3 -0.13 0.23 -0.19 -0.04 2.39 2.25 1h4iC1 GLN 295 HE21 -0.24 0.23 -0.19 -0.04 6.97 6.73 1h4iC1 GLN 295 HE22 -0.11 0.35 -0.10 -0.04 7.69 7.78 1h4iC1 LYS 296 H -0.38 0.53 0.41 -0.55 8.42 8.43 1h4iC1 LYS 296 HA -0.56 0.08 0.42 -0.75 4.32 3.50 1h4iC1 LYS 296 HB2 -0.14 0.05 0.20 -0.04 1.87 1.93 1h4iC1 LYS 296 HB3 -0.13 -0.09 0.01 -0.04 1.79 1.55 1h4iC1 LYS 296 HG2 -1.26 -0.04 -0.02 -0.04 1.46 0.10 1h4iC1 LYS 296 HG3 -0.46 0.06 0.06 -0.04 1.46 1.08 1h4iC1 LYS 296 HD2 -0.05 -0.09 -0.03 -0.04 1.69 1.48 1h4iC1 LYS 296 HD3 -0.11 -0.02 -0.06 -0.04 1.68 1.46 1h4iC1 LYS 296 HE2 -0.10 -0.04 -0.21 -0.04 2.99 2.59 1h4iC1 LYS 296 HE3 -0.05 0.10 -0.03 -0.04 2.99 2.98 1h4iC1 THR 297 H -0.07 0.22 -0.00 -0.55 8.28 7.88 1h4iC1 THR 297 HA 0.11 0.28 0.93 -0.75 4.39 4.96 1h4iC1 THR 297 HB 0.19 -0.06 0.13 -0.04 4.32 4.53 1h4iC1 THR 297 HG23 0.61 0.00 -0.15 -0.04 1.22 1.64 1h4iC1 PRO 298 HA -0.11 0.14 0.45 -0.51 4.44 4.41 1h4iC1 PRO 298 HB2 -0.03 -0.00 0.01 -0.04 2.28 2.22 1h4iC1 PRO 298 HB3 -0.11 -0.05 0.08 -0.04 2.02 1.89 1h4iC1 PRO 298 HG2 -0.10 0.00 0.05 -0.04 2.03 1.95 1h4iC1 PRO 298 HG3 -0.16 0.08 -0.04 -0.04 2.03 1.86 1h4iC1 PRO 298 HD2 -0.02 0.06 0.16 -0.04 3.68 3.84 1h4iC1 PRO 298 HD3 -0.12 0.33 -0.23 -0.04 3.65 3.59 1h4iC1 HIS 299 H -0.11 0.48 0.23 -0.55 8.41 8.47 1h4iC1 HIS 299 HA -0.23 0.13 0.32 -0.75 4.63 4.10 1h4iC1 HIS 299 HB2 -0.17 -0.11 -0.11 -0.04 3.26 2.83 1h4iC1 HIS 299 HB3 -0.12 0.04 0.09 -0.04 3.20 3.16 1h4iC1 HIS 299 HD2 -0.21 -0.07 0.01 -0.04 6.97 6.66 1h4iC1 HIS 299 HE1 -0.12 0.18 -0.09 -0.04 7.75 7.68 1h4iC1 ASP 300 H -0.18 0.11 -0.02 -0.55 8.40 7.77 1h4iC1 ASP 300 HA -0.09 0.01 0.32 -0.75 4.63 4.11 1h4iC1 ASP 300 HB2 0.01 0.11 0.08 -0.04 2.71 2.88 1h4iC1 ASP 300 HB3 -0.13 0.11 0.14 -0.04 2.70 2.78 1h4iC1 GLU 301 H -1.36 0.07 0.20 -0.55 8.60 6.97 1h4iC1 GLU 301 HA -0.86 0.24 0.80 -0.75 4.29 3.71 1h4iC1 GLU 301 HB2 -3.26 0.03 0.11 -0.04 2.09 -1.07 1h4iC1 GLU 301 HB3 -1.37 -0.15 0.26 -0.04 1.99 0.69 1h4iC1 GLU 301 HG2 -0.57 -0.03 0.03 -0.04 2.34 1.72 1h4iC1 GLU 301 HG3 -0.79 0.34 -0.24 -0.04 2.34 1.61 1h4iC1 TRP 302 H -0.59 -0.09 0.07 -0.55 7.97 6.82 1h4iC1 TRP 302 HA -1.51 0.26 0.83 -0.75 4.62 3.44 1h4iC1 TRP 302 HB2 -2.16 -0.06 -0.16 -0.04 3.23 0.82 1h4iC1 TRP 302 HB3 -0.92 0.08 -0.04 -0.04 3.23 2.30 1h4iC1 TRP 302 HD1 -0.54 0.00 -0.12 -0.04 7.22 6.52 1h4iC1 TRP 302 HE1 -0.24 0.42 0.15 -0.04 10.20 10.50 1h4iC1 TRP 302 HE3 -0.48 -0.08 -0.00 -0.04 7.59 6.99 1h4iC1 TRP 302 HZ2 -0.10 0.02 -0.04 -0.04 7.44 7.28 1h4iC1 TRP 302 HZ3 0.13 0.10 -0.07 -0.04 7.13 7.24 1h4iC1 TRP 302 HH2 0.14 0.06 -0.04 -0.04 7.19 7.32 1h4iC1 ASP 303 H -0.36 0.12 -0.01 -0.55 8.40 7.60 1h4iC1 ASP 303 HA -0.32 0.03 0.32 -0.75 4.63 3.90 1h4iC1 ASP 303 HB2 -1.71 0.02 -0.03 -0.04 2.71 0.95 1h4iC1 ASP 303 HB3 -0.46 0.18 0.09 -0.04 2.70 2.47 1h4iC1 TYR 304 H 0.04 0.04 -0.17 -0.55 8.29 7.65 1h4iC1 TYR 304 HA 0.12 0.33 0.61 -0.75 4.56 4.85 1h4iC1 TYR 304 HB2 0.15 -0.01 0.05 -0.04 3.06 3.20 1h4iC1 TYR 304 HB3 0.08 -0.15 0.05 -0.04 2.98 2.92 1h4iC1 TYR 304 HD2 0.06 0.05 -0.21 -0.04 7.15 7.01 1h4iC1 TYR 304 HE2 -0.83 0.12 -0.28 -0.04 6.85 5.83 1h4iC1 ALA 305 H 0.22 0.33 -0.57 -0.55 8.40 7.83 1h4iC1 ALA 305 HA 0.19 -0.08 0.33 -0.75 4.34 4.03 1h4iC1 ALA 305 HB3 0.39 0.02 0.13 -0.04 1.41 1.91 1h4iC1 GLY 306 H 0.12 0.16 0.17 -0.55 8.43 8.33 1h4iC1 GLY 306 HA2 0.08 0.00 0.34 -0.51 4.01 3.91 1h4iC1 GLY 306 HA3 0.08 0.07 0.40 -0.51 4.01 4.05 1h4iC1 VAL 307 H -0.15 0.33 -0.47 -0.55 8.24 7.40 1h4iC1 VAL 307 HA -0.13 0.25 0.23 -0.75 4.13 3.73 1h4iC1 VAL 307 HB -0.83 -0.16 0.16 -0.04 2.12 1.25 1h4iC1 VAL 307 HG13 -0.67 -0.01 -0.13 -0.04 0.97 0.11 1h4iC1 VAL 307 HG23 -1.71 0.03 -0.16 -0.04 0.95 -0.92 1h4iC1 ASN 308 H -0.02 0.04 -0.29 -0.55 8.53 7.72 1h4iC1 ASN 308 HA 0.04 -0.01 0.08 -0.75 4.76 4.12 1h4iC1 ASN 308 HB2 -0.37 -0.01 -0.09 -0.04 2.88 2.36 1h4iC1 ASN 308 HB3 -0.17 0.05 0.10 -0.04 2.79 2.73 1h4iC1 ASN 308 HD21 0.08 0.15 -0.40 -0.04 7.03 6.83 1h4iC1 ASN 308 HD22 -0.19 0.59 0.02 -0.04 7.74 8.12 1h4iC1 VAL 309 H 0.13 0.17 0.10 -0.55 8.24 8.09 1h4iC1 VAL 309 HA 0.21 -0.01 0.43 -0.75 4.13 4.01 1h4iC1 VAL 309 HB -0.17 0.09 0.18 -0.04 2.12 2.18 1h4iC1 VAL 309 HG13 -0.14 -0.05 0.07 -0.04 0.97 0.80 1h4iC1 VAL 309 HG23 -0.73 0.01 -0.01 -0.04 0.95 0.18 1h4iC1 MET 310 H 0.08 0.19 0.07 -0.55 8.47 8.26 1h4iC1 MET 310 HA 0.08 0.18 0.73 -0.75 4.52 4.75 1h4iC1 MET 310 HB2 0.16 0.02 -0.12 -0.04 2.15 2.17 1h4iC1 MET 310 HB3 0.09 -0.10 -0.16 -0.04 2.03 1.82 1h4iC1 MET 310 HG2 0.09 0.15 -0.28 -0.04 2.63 2.55 1h4iC1 MET 310 HG3 0.13 -0.00 -0.48 -0.04 2.56 2.17 1h4iC1 MET 310 HE3 -0.50 0.02 -0.28 -0.04 2.10 1.29 1h4iC1 MET 311 H -0.00 0.55 0.20 -0.55 8.47 8.67 1h4iC1 MET 311 HA 0.09 0.39 1.06 -0.75 4.52 5.31 1h4iC1 MET 311 HB2 0.15 -0.09 0.05 -0.04 2.15 2.23 1h4iC1 MET 311 HB3 0.23 -0.02 -0.12 -0.04 2.03 2.08 1h4iC1 MET 311 HG2 0.07 0.36 -0.11 -0.04 2.63 2.90 1h4iC1 MET 311 HG3 -0.03 -0.10 -0.45 -0.04 2.56 1.94 1h4iC1 MET 311 HE3 -0.03 0.01 -0.14 -0.04 2.10 1.89 1h4iC1 LEU 312 H 0.07 0.71 0.26 -0.55 8.37 8.86 1h4iC1 LEU 312 HA -0.06 0.17 0.78 -0.75 4.35 4.49 1h4iC1 LEU 312 HB2 0.06 -0.11 0.17 -0.04 1.64 1.72 1h4iC1 LEU 312 HB3 -0.02 -0.01 0.10 -0.04 1.64 1.67 1h4iC1 LEU 312 HG 0.12 0.18 0.04 -0.04 1.64 1.94 1h4iC1 LEU 312 HD13 0.18 -0.04 -0.16 -0.04 0.93 0.86 1h4iC1 LEU 312 HD23 -0.18 -0.02 -0.18 -0.04 0.89 0.47 1h4iC1 SER 313 H -0.09 0.50 0.24 -0.55 8.46 8.56 1h4iC1 SER 313 HA -0.11 0.10 0.51 -0.75 4.49 4.24 1h4iC1 SER 313 HB2 -0.32 -0.02 -0.04 -0.04 3.95 3.53 1h4iC1 SER 313 HB3 -0.91 0.13 -0.31 -0.04 3.93 2.81 1h4iC1 GLU 314 H -0.02 0.28 0.09 -0.55 8.60 8.40 1h4iC1 GLU 314 HA -0.03 0.36 1.02 -0.75 4.29 4.88 1h4iC1 GLU 314 HB2 -0.00 -0.04 0.18 -0.04 2.09 2.19 1h4iC1 GLU 314 HB3 -0.01 0.03 0.03 -0.04 1.99 2.00 1h4iC1 GLU 314 HG2 -0.02 0.03 0.11 -0.04 2.34 2.42 1h4iC1 GLU 314 HG3 -0.00 -0.07 -0.20 -0.04 2.34 2.03 1h4iC1 GLN 315 H -0.03 0.32 0.14 -0.55 8.47 8.35 1h4iC1 GLN 315 HA -0.01 0.19 0.78 -0.75 4.36 4.57 1h4iC1 GLN 315 HB2 -0.03 -0.05 -0.14 -0.04 2.15 1.90 1h4iC1 GLN 315 HB3 -0.02 0.07 0.03 -0.04 2.02 2.06 1h4iC1 GLN 315 HG2 0.03 0.12 -0.07 -0.04 2.40 2.44 1h4iC1 GLN 315 HG3 -0.01 -0.14 -0.51 -0.04 2.39 1.69 1h4iC1 GLN 315 HE21 0.17 -0.06 -0.13 -0.04 6.97 6.92 1h4iC1 GLN 315 HE22 -0.04 -0.03 -0.23 -0.04 7.69 7.35 1h4iC1 LYS 316 H -0.03 0.17 0.11 -0.55 8.42 8.13 1h4iC1 LYS 316 HA -0.03 0.21 0.52 -0.75 4.32 4.27 1h4iC1 LYS 316 HB2 -0.03 0.00 0.07 -0.04 1.87 1.87 1h4iC1 LYS 316 HB3 -0.03 -0.01 -0.21 -0.04 1.79 1.50 1h4iC1 LYS 316 HG2 -0.02 0.01 -0.20 -0.04 1.46 1.21 1h4iC1 LYS 316 HG3 -0.02 -0.06 -0.04 -0.04 1.46 1.30 1h4iC1 LYS 316 HD2 -0.02 -0.00 -0.02 -0.04 1.69 1.61 1h4iC1 LYS 316 HD3 -0.02 0.08 -0.04 -0.04 1.68 1.66 1h4iC1 LYS 316 HE2 -0.02 -0.00 -0.02 -0.04 2.99 2.91 1h4iC1 LYS 316 HE3 -0.02 -0.01 -0.02 -0.04 2.99 2.90 1h4iC1 ASP 317 H -0.03 0.62 0.21 -0.55 8.40 8.65 1h4iC1 ASP 317 HA -0.04 0.16 0.49 -0.75 4.63 4.48 1h4iC1 ASP 317 HB2 -0.04 -0.02 0.19 -0.04 2.71 2.80 1h4iC1 ASP 317 HB3 -0.05 0.07 0.07 -0.04 2.70 2.75 1h4iC1 LYS 318 H -0.04 0.21 0.14 -0.55 8.42 8.17 1h4iC1 LYS 318 HA -0.04 0.16 0.45 -0.75 4.32 4.14 1h4iC1 LYS 318 HB2 -0.04 -0.01 0.11 -0.04 1.87 1.89 1h4iC1 LYS 318 HB3 -0.03 0.04 0.09 -0.04 1.79 1.84 1h4iC1 LYS 318 HG2 -0.04 0.01 -0.02 -0.04 1.46 1.37 1h4iC1 LYS 318 HG3 -0.05 -0.01 0.07 -0.04 1.46 1.44 1h4iC1 LYS 318 HD2 -0.04 -0.01 0.04 -0.04 1.69 1.64 1h4iC1 LYS 318 HD3 -0.03 -0.03 0.03 -0.04 1.68 1.60 1h4iC1 LYS 318 HE2 -0.04 -0.04 0.04 -0.04 2.99 2.91 1h4iC1 LYS 318 HE3 -0.05 -0.02 0.01 -0.04 2.99 2.89 1h4iC1 ASP 319 H -0.03 -0.00 -0.26 -0.55 8.40 7.56 1h4iC1 ASP 319 HA -0.02 0.22 0.59 -0.75 4.63 4.67 1h4iC1 ASP 319 HB2 -0.03 -0.09 -0.02 -0.04 2.71 2.53 1h4iC1 ASP 319 HB3 -0.03 0.05 0.12 -0.04 2.70 2.80 1h4iC1 GLY 320 H -0.03 0.38 -0.62 -0.55 8.43 7.62 1h4iC1 GLY 320 HA2 -0.02 0.08 0.17 -0.51 4.01 3.72 1h4iC1 GLY 320 HA3 -0.02 0.14 0.41 -0.51 4.01 4.03 1h4iC1 LYS 321 H -0.03 -0.07 -0.35 -0.55 8.42 7.42 1h4iC1 LYS 321 HA -0.02 0.17 0.58 -0.75 4.32 4.29 1h4iC1 LYS 321 HB2 -0.03 -0.12 -0.01 -0.04 1.87 1.67 1h4iC1 LYS 321 HB3 -0.03 0.10 -0.09 -0.04 1.79 1.73 1h4iC1 LYS 321 HG2 -0.03 0.08 -0.08 -0.04 1.46 1.39 1h4iC1 LYS 321 HG3 -0.03 -0.04 -0.15 -0.04 1.46 1.20 1h4iC1 LYS 321 HD2 -0.03 -0.01 -0.06 -0.04 1.69 1.54 1h4iC1 LYS 321 HD3 -0.03 0.04 -0.04 -0.04 1.68 1.61 1h4iC1 LYS 321 HE2 -0.03 0.04 -0.03 -0.04 2.99 2.93 1h4iC1 LYS 321 HE3 -0.03 0.05 -0.03 -0.04 2.99 2.93 1h4iC1 ALA 322 H -0.02 0.18 0.13 -0.55 8.40 8.14 1h4iC1 ALA 322 HA -0.02 0.10 0.44 -0.75 4.34 4.10 1h4iC1 ALA 322 HB3 -0.02 0.01 0.02 -0.04 1.41 1.39 1h4iC1 ARG 323 H -0.03 0.77 0.35 -0.55 8.46 8.99 1h4iC1 ARG 323 HA -0.04 0.15 0.84 -0.75 4.34 4.54 1h4iC1 ARG 323 HB2 -0.05 -0.00 -0.05 -0.04 1.90 1.76 1h4iC1 ARG 323 HB3 -0.05 -0.03 0.01 -0.04 1.80 1.68 1h4iC1 ARG 323 HG2 -0.04 0.14 -0.09 -0.04 1.67 1.64 1h4iC1 ARG 323 HG3 -0.05 -0.02 -0.06 -0.04 1.67 1.49 1h4iC1 ARG 323 HD2 -0.04 0.08 -0.29 -0.04 3.22 2.93 1h4iC1 ARG 323 HD3 -0.04 -0.06 -0.15 -0.04 3.22 2.93 1h4iC1 LYS 324 H -0.04 0.15 0.15 -0.55 8.42 8.13 1h4iC1 LYS 324 HA -0.03 0.20 0.85 -0.75 4.32 4.58 1h4iC1 LYS 324 HB2 -0.03 -0.15 0.19 -0.04 1.87 1.85 1h4iC1 LYS 324 HB3 -0.02 0.07 0.05 -0.04 1.79 1.85 1h4iC1 LYS 324 HG2 -0.01 -0.01 0.01 -0.04 1.46 1.40 1h4iC1 LYS 324 HG3 -0.00 0.00 -0.02 -0.04 1.46 1.40 1h4iC1 LYS 324 HD2 -0.00 -0.00 -0.05 -0.04 1.69 1.59 1h4iC1 LYS 324 HD3 -0.02 0.09 0.01 -0.04 1.68 1.73 1h4iC1 LYS 324 HE2 -0.02 -0.11 -0.44 -0.04 2.99 2.38 1h4iC1 LYS 324 HE3 -0.01 0.01 -0.12 -0.04 2.99 2.82 1h4iC1 LEU 325 H -0.07 0.90 0.32 -0.55 8.37 8.97 1h4iC1 LEU 325 HA -0.11 0.14 1.14 -0.75 4.35 4.77 1h4iC1 LEU 325 HB2 -0.07 -0.02 -0.12 -0.04 1.64 1.39 1h4iC1 LEU 325 HB3 -0.08 0.07 -0.01 -0.04 1.64 1.58 1h4iC1 LEU 325 HG -0.06 -0.15 -0.57 -0.04 1.64 0.82 1h4iC1 LEU 325 HD13 -0.05 -0.00 -0.23 -0.04 0.93 0.61 1h4iC1 LEU 325 HD23 -0.07 0.01 -0.27 -0.04 0.89 0.52 1h4iC1 LEU 326 H -0.12 0.51 0.28 -0.55 8.37 8.50 1h4iC1 LEU 326 HA -0.12 0.21 0.59 -0.75 4.35 4.27 1h4iC1 LEU 326 HB2 -0.16 0.06 -0.09 -0.04 1.64 1.41 1h4iC1 LEU 326 HB3 -0.33 -0.03 -0.17 -0.04 1.64 1.07 1h4iC1 LEU 326 HG -0.12 -0.08 -0.12 -0.04 1.64 1.28 1h4iC1 LEU 326 HD13 -0.06 0.02 -0.33 -0.04 0.93 0.52 1h4iC1 LEU 326 HD23 -0.14 0.00 -0.21 -0.04 0.89 0.50 1h4iC1 THR 327 H -0.09 0.72 0.25 -0.55 8.28 8.61 1h4iC1 THR 327 HA -0.15 0.33 1.01 -0.75 4.39 4.84 1h4iC1 THR 327 HB -0.74 0.06 0.03 -0.04 4.32 3.63 1h4iC1 THR 327 HG23 -0.76 -0.01 -0.24 -0.04 1.22 0.17 1h4iC1 HIS 328 H -0.02 0.59 0.16 -0.55 8.41 8.59 1h4iC1 HIS 328 HA -0.14 0.39 0.83 -0.75 4.63 4.96 1h4iC1 HIS 328 HB2 -0.04 -0.05 -0.37 -0.04 3.26 2.76 1h4iC1 HIS 328 HB3 0.01 -0.07 0.03 -0.04 3.20 3.13 1h4iC1 HIS 328 HD2 0.01 -0.09 -0.10 -0.04 6.97 6.74 1h4iC1 HIS 328 HE1 -0.04 0.04 -0.29 -0.04 7.75 7.42 1h4iC1 PRO 329 HA -0.27 0.02 0.62 -0.51 4.44 4.30 1h4iC1 PRO 329 HB2 -0.50 0.06 -0.08 -0.04 2.28 1.72 1h4iC1 PRO 329 HB3 -0.31 -0.03 -0.04 -0.04 2.02 1.60 1h4iC1 PRO 329 HG2 -0.98 0.04 0.15 -0.04 2.03 1.20 1h4iC1 PRO 329 HG3 -0.50 -0.00 0.02 -0.04 2.03 1.50 1h4iC1 PRO 329 HD2 -0.26 0.34 0.16 -0.04 3.68 3.87 1h4iC1 PRO 329 HD3 -0.28 0.05 -0.07 -0.04 3.65 3.31 1h4iC1 ASP 330 H -0.15 0.60 0.27 -0.55 8.40 8.57 1h4iC1 ASP 330 HA -0.27 0.15 0.54 -0.75 4.63 4.29 1h4iC1 ASP 330 HB2 0.09 0.12 0.04 -0.04 2.71 2.92 1h4iC1 ASP 330 HB3 0.09 -0.09 0.05 -0.04 2.70 2.71 1h4iC1 ARG 331 H -0.02 0.19 0.09 -0.55 8.46 8.17 1h4iC1 ARG 331 HA 0.02 0.18 0.60 -0.75 4.34 4.38 1h4iC1 ARG 331 HB2 0.13 0.03 -0.05 -0.04 1.90 1.96 1h4iC1 ARG 331 HB3 0.19 0.05 0.00 -0.04 1.80 2.00 1h4iC1 ARG 331 HG2 0.10 0.04 0.11 -0.04 1.67 1.88 1h4iC1 ARG 331 HG3 0.18 0.21 -0.04 -0.04 1.67 1.98 1h4iC1 ARG 331 HD2 0.23 0.05 -0.13 -0.04 3.22 3.33 1h4iC1 ARG 331 HD3 0.28 -0.19 0.10 -0.04 3.22 3.37 1h4iC1 ASN 332 H -0.17 0.10 -0.18 -0.55 8.53 7.73 1h4iC1 ASN 332 HA -1.98 0.15 0.23 -0.75 4.76 2.41 1h4iC1 ASN 332 HB2 -0.27 0.07 0.06 -0.04 2.88 2.70 1h4iC1 ASN 332 HB3 -0.07 -0.00 0.03 -0.04 2.79 2.71 1h4iC1 ASN 332 HD21 0.44 0.04 -0.12 -0.04 7.03 7.34 1h4iC1 ASN 332 HD22 0.34 0.06 -0.17 -0.04 7.74 7.93 1h4iC1 GLY 333 H -0.24 0.31 -0.76 -0.55 8.43 7.18 1h4iC1 GLY 333 HA2 -0.12 -0.02 0.27 -0.51 4.01 3.63 1h4iC1 GLY 333 HA3 -0.33 0.19 0.70 -0.51 4.01 4.06 1h4iC1 ILE 334 H -0.14 0.05 -0.25 -0.55 8.25 7.36 1h4iC1 ILE 334 HA -0.21 0.32 0.98 -0.75 4.18 4.51 1h4iC1 ILE 334 HB -0.36 -0.07 -0.10 -0.04 1.89 1.32 1h4iC1 ILE 334 HG12 -0.02 -0.00 -0.42 -0.04 1.49 1.01 1h4iC1 ILE 334 HG13 -0.02 0.03 -0.24 -0.04 1.21 0.94 1h4iC1 ILE 334 HG23 -0.73 0.02 -0.43 -0.04 0.93 -0.25 1h4iC1 ILE 334 HD13 -0.08 0.02 -0.35 -0.04 0.88 0.43 1h4iC1 VAL 335 H -0.29 0.73 0.16 -0.55 8.24 8.30 1h4iC1 VAL 335 HA -0.23 0.10 0.82 -0.75 4.13 4.07 1h4iC1 VAL 335 HB -0.30 -0.10 -0.13 -0.04 2.12 1.55 1h4iC1 VAL 335 HG13 -0.33 -0.01 -0.31 -0.04 0.97 0.28 1h4iC1 VAL 335 HG23 -0.50 0.04 -0.21 -0.04 0.95 0.23 1h4iC1 TYR 336 H 0.10 0.66 0.19 -0.55 8.29 8.68 1h4iC1 TYR 336 HA -0.05 0.27 0.93 -0.75 4.56 4.95 1h4iC1 TYR 336 HB2 0.07 0.00 0.07 -0.04 3.06 3.16 1h4iC1 TYR 336 HB3 -0.03 0.01 -0.05 -0.04 2.98 2.87 1h4iC1 TYR 336 HD2 0.01 0.09 -0.02 -0.04 7.15 7.19 1h4iC1 TYR 336 HE2 0.06 -0.02 -0.08 -0.04 6.85 6.78 1h4iC1 THR 337 H 0.01 0.74 0.37 -0.55 8.28 8.85 1h4iC1 THR 337 HA -0.06 0.48 1.05 -0.75 4.39 5.10 1h4iC1 THR 337 HB -0.06 -0.10 0.18 -0.04 4.32 4.30 1h4iC1 THR 337 HG23 -0.08 -0.01 -0.15 -0.04 1.22 0.95 1h4iC1 LEU 338 H -0.08 0.49 0.24 -0.55 8.37 8.47 1h4iC1 LEU 338 HA -0.12 0.20 0.99 -0.75 4.35 4.66 1h4iC1 LEU 338 HB2 -0.14 -0.06 -0.28 -0.04 1.64 1.13 1h4iC1 LEU 338 HB3 -0.21 0.07 -0.27 -0.04 1.64 1.20 1h4iC1 LEU 338 HG -0.06 -0.01 -0.23 -0.04 1.64 1.29 1h4iC1 LEU 338 HD13 -0.11 0.06 -0.15 -0.04 0.93 0.70 1h4iC1 LEU 338 HD23 -0.17 -0.02 -0.35 -0.04 0.89 0.31 1h4iC1 ASP 339 H -0.16 0.74 0.13 -0.55 8.40 8.56 1h4iC1 ASP 339 HA -0.11 0.18 0.64 -0.75 4.63 4.59 1h4iC1 ASP 339 HB2 -0.11 0.13 0.10 -0.04 2.71 2.79 1h4iC1 ASP 339 HB3 -0.17 -0.26 0.24 -0.04 2.70 2.47 1h4iC1 ARG 340 H -0.11 0.64 0.28 -0.55 8.46 8.73 1h4iC1 ARG 340 HA -0.06 0.13 0.30 -0.75 4.34 3.96 1h4iC1 ARG 340 HB2 -0.60 0.02 -0.08 -0.04 1.90 1.19 1h4iC1 ARG 340 HB3 -0.27 0.03 -0.32 -0.04 1.80 1.20 1h4iC1 ARG 340 HG2 -0.06 0.00 -0.30 -0.04 1.67 1.27 1h4iC1 ARG 340 HG3 0.04 -0.03 -0.34 -0.04 1.67 1.30 1h4iC1 ARG 340 HD2 0.03 -0.11 -0.12 -0.04 3.22 2.99 1h4iC1 ARG 340 HD3 -0.21 0.04 -0.16 -0.04 3.22 2.85 1h4iC1 THR 341 H -0.05 -0.00 -0.36 -0.55 8.28 7.32 1h4iC1 THR 341 HA 0.13 0.20 0.68 -0.75 4.39 4.65 1h4iC1 THR 341 HB 0.02 0.06 0.04 -0.04 4.32 4.40 1h4iC1 THR 341 HG23 0.01 0.00 -0.02 -0.04 1.22 1.17 1h4iC1 ASP 342 H -0.17 -0.06 -0.07 -0.55 8.40 7.56 1h4iC1 ASP 342 HA -0.07 0.31 0.94 -0.75 4.63 5.05 1h4iC1 ASP 342 HB2 -0.13 -0.01 0.06 -0.04 2.71 2.59 1h4iC1 ASP 342 HB3 -0.07 0.05 -0.13 -0.04 2.70 2.51 1h4iC1 GLY 343 H -0.59 0.48 0.07 -0.55 8.43 7.84 1h4iC1 GLY 343 HA2 -0.98 0.08 0.18 -0.51 4.01 2.78 1h4iC1 GLY 343 HA3 -0.94 0.12 0.47 -0.51 4.01 3.16 1h4iC1 ALA 344 H -0.25 -0.09 -0.15 -0.55 8.40 7.36 1h4iC1 ALA 344 HA -0.11 0.14 0.37 -0.75 4.34 3.99 1h4iC1 ALA 344 HB3 -0.12 0.00 0.01 -0.04 1.41 1.27 1h4iC1 LEU 345 H -0.02 0.18 0.18 -0.55 8.37 8.16 1h4iC1 LEU 345 HA -0.15 0.07 0.55 -0.75 4.35 4.07 1h4iC1 LEU 345 HB2 -0.05 0.05 0.18 -0.04 1.64 1.78 1h4iC1 LEU 345 HB3 -0.07 -0.02 -0.09 -0.04 1.64 1.42 1h4iC1 LEU 345 HG -0.61 0.04 -0.00 -0.04 1.64 1.03 1h4iC1 LEU 345 HD13 -0.12 0.01 -0.08 -0.04 0.93 0.70 1h4iC1 LEU 345 HD23 -0.10 -0.01 -0.10 -0.04 0.89 0.65 1h4iC1 VAL 346 H -0.08 0.74 0.46 -0.55 8.24 8.81 1h4iC1 VAL 346 HA -0.06 0.10 0.85 -0.75 4.13 4.26 1h4iC1 VAL 346 HB -0.07 0.05 -0.07 -0.04 2.12 1.99 1h4iC1 VAL 346 HG13 -0.06 -0.02 -0.13 -0.04 0.97 0.73 1h4iC1 VAL 346 HG23 -0.08 -0.00 -0.23 -0.04 0.95 0.59 1h4iC1 SER 347 H -0.05 0.40 0.37 -0.55 8.46 8.64 1h4iC1 SER 347 HA -0.04 0.12 0.59 -0.75 4.49 4.40 1h4iC1 SER 347 HB2 -0.03 -0.03 0.06 -0.04 3.95 3.90 1h4iC1 SER 347 HB3 -0.05 0.10 -0.06 -0.04 3.93 3.88 1h4iC1 ALA 348 H -0.06 0.22 -0.06 -0.55 8.40 7.94 1h4iC1 ALA 348 HA -0.27 0.33 0.65 -0.75 4.34 4.28 1h4iC1 ALA 348 HB3 -0.15 0.00 -0.03 -0.04 1.41 1.19 1h4iC1 ASN 349 H -0.14 0.40 0.11 -0.55 8.53 8.36 1h4iC1 ASN 349 HA -0.06 0.14 0.89 -0.75 4.76 4.98 1h4iC1 ASN 349 HB2 0.01 -0.00 0.03 -0.04 2.88 2.87 1h4iC1 ASN 349 HB3 0.04 0.11 0.10 -0.04 2.79 3.00 1h4iC1 ASN 349 HD21 -0.00 0.06 -0.12 -0.04 7.03 6.93 1h4iC1 ASN 349 HD22 0.23 0.00 -0.04 -0.04 7.74 7.89 1h4iC1 LYS 350 H -0.01 0.12 0.14 -0.55 8.42 8.12 1h4iC1 LYS 350 HA -0.08 0.25 0.76 -0.75 4.32 4.50 1h4iC1 LYS 350 HB2 0.01 -0.05 0.08 -0.04 1.87 1.87 1h4iC1 LYS 350 HB3 -0.01 0.04 -0.01 -0.04 1.79 1.77 1h4iC1 LYS 350 HG2 -0.05 0.06 -0.02 -0.04 1.46 1.41 1h4iC1 LYS 350 HG3 -0.03 -0.05 -0.02 -0.04 1.46 1.32 1h4iC1 LYS 350 HD2 -0.01 -0.03 0.03 -0.04 1.69 1.65 1h4iC1 LYS 350 HD3 -0.02 -0.02 0.03 -0.04 1.68 1.63 1h4iC1 LYS 350 HE2 -0.04 -0.02 -0.04 -0.04 2.99 2.86 1h4iC1 LYS 350 HE3 -0.00 0.02 -0.12 -0.04 2.99 2.84 1h4iC1 LEU 351 H -0.04 0.82 0.31 -0.55 8.37 8.92 1h4iC1 LEU 351 HA -0.03 0.05 0.43 -0.75 4.35 4.05 1h4iC1 LEU 351 HB2 0.09 0.03 0.07 -0.04 1.64 1.79 1h4iC1 LEU 351 HB3 0.00 0.01 -0.07 -0.04 1.64 1.54 1h4iC1 LEU 351 HG -0.11 -0.03 -0.40 -0.04 1.64 1.06 1h4iC1 LEU 351 HD13 0.00 -0.02 -0.30 -0.04 0.93 0.57 1h4iC1 LEU 351 HD23 -0.10 -0.01 -0.15 -0.04 0.89 0.59 1h4iC1 ASP 352 H 0.04 0.24 -0.05 -0.55 8.40 8.08 1h4iC1 ASP 352 HA -0.13 0.14 0.48 -0.75 4.63 4.37 1h4iC1 ASP 352 HB2 -0.11 0.16 -0.24 -0.04 2.71 2.48 1h4iC1 ASP 352 HB3 0.19 -0.03 -0.06 -0.04 2.70 2.77 1h4iC1 ASP 353 H -0.03 0.20 0.08 -0.55 8.40 8.11 1h4iC1 ASP 353 HA 0.01 0.10 0.35 -0.75 4.63 4.34 1h4iC1 ASP 353 HB2 0.01 0.04 0.11 -0.04 2.71 2.84 1h4iC1 ASP 353 HB3 0.01 0.03 0.11 -0.04 2.70 2.81 1h4iC1 THR 354 H 0.09 -0.01 -0.57 -0.55 8.28 7.25 1h4iC1 THR 354 HA 0.01 0.18 0.49 -0.75 4.39 4.31 1h4iC1 THR 354 HB 0.06 0.06 0.10 -0.04 4.32 4.50 1h4iC1 THR 354 HG23 0.10 -0.03 -0.07 -0.04 1.22 1.18 1h4iC1 VAL 355 H -0.00 0.30 -0.35 -0.55 8.24 7.64 1h4iC1 VAL 355 HA -0.32 -0.01 0.17 -0.75 4.13 3.21 1h4iC1 VAL 355 HB -0.10 0.00 0.14 -0.04 2.12 2.12 1h4iC1 VAL 355 HG13 -0.30 -0.00 -0.04 -0.04 0.97 0.58 1h4iC1 VAL 355 HG23 -0.15 0.06 0.13 -0.04 0.95 0.95 1h4iC1 ASN 356 H -0.12 0.11 -0.01 -0.55 8.53 7.96 1h4iC1 ASN 356 HA -0.11 -0.02 0.34 -0.75 4.76 4.20 1h4iC1 ASN 356 HB2 -0.40 -0.11 0.11 -0.04 2.88 2.45 1h4iC1 ASN 356 HB3 -0.28 0.00 -0.22 -0.04 2.79 2.25 1h4iC1 ASN 356 HD21 -0.73 0.38 0.27 -0.04 7.03 6.91 1h4iC1 ASN 356 HD22 -0.61 -0.13 0.05 -0.04 7.74 7.02 1h4iC1 VAL 357 H -0.41 0.39 -0.23 -0.55 8.24 7.44 1h4iC1 VAL 357 HA -0.21 0.07 0.60 -0.75 4.13 3.85 1h4iC1 VAL 357 HB -0.69 0.20 0.11 -0.04 2.12 1.71 1h4iC1 VAL 357 HG13 -1.23 -0.03 -0.03 -0.04 0.97 -0.35 1h4iC1 VAL 357 HG23 -1.49 -0.01 -0.02 -0.04 0.95 -0.62 1h4iC1 PHE 358 H -0.21 0.16 -0.16 -0.55 8.34 7.58 1h4iC1 PHE 358 HA -0.04 0.19 0.80 -0.75 4.62 4.82 1h4iC1 PHE 358 HB2 -0.13 -0.05 -0.10 -0.04 3.15 2.83 1h4iC1 PHE 358 HB3 -0.06 0.02 -0.14 -0.04 3.06 2.84 1h4iC1 PHE 358 HD2 -0.09 -0.00 -0.20 -0.04 7.28 6.95 1h4iC1 PHE 358 HE2 0.04 -0.02 -0.10 -0.04 7.38 7.26 1h4iC1 PHE 358 HZ 0.12 -0.02 -0.06 -0.04 7.32 7.32 1h4iC1 LYS 359 H 0.14 0.76 0.17 -0.55 8.42 8.93 1h4iC1 LYS 359 HA 0.05 0.05 0.51 -0.75 4.32 4.17 1h4iC1 LYS 359 HB2 0.05 -0.03 0.08 -0.04 1.87 1.93 1h4iC1 LYS 359 HB3 0.04 -0.06 0.05 -0.04 1.79 1.79 1h4iC1 LYS 359 HG2 0.07 -0.01 -0.06 -0.04 1.46 1.42 1h4iC1 LYS 359 HG3 0.08 0.17 -0.19 -0.04 1.46 1.47 1h4iC1 LYS 359 HD2 0.04 -0.04 -0.01 -0.04 1.69 1.64 1h4iC1 LYS 359 HD3 0.04 -0.04 0.01 -0.04 1.68 1.65 1h4iC1 LYS 359 HE2 0.04 -0.06 0.03 -0.04 2.99 2.95 1h4iC1 LYS 359 HE3 0.06 -0.04 0.04 -0.04 2.99 3.01 1h4iC1 SER 360 H 0.06 0.31 0.08 -0.55 8.46 8.36 1h4iC1 SER 360 HA 0.01 0.13 0.31 -0.75 4.49 4.18 1h4iC1 SER 360 HB2 -0.01 -0.03 0.08 -0.04 3.95 3.96 1h4iC1 SER 360 HB3 0.01 0.22 -0.09 -0.04 3.93 4.03 1h4iC1 VAL 361 H -0.03 0.29 0.09 -0.55 8.24 8.04 1h4iC1 VAL 361 HA -0.07 0.13 0.86 -0.75 4.13 4.30 1h4iC1 VAL 361 HB -0.04 0.03 0.05 -0.04 2.12 2.12 1h4iC1 VAL 361 HG13 0.09 0.02 -0.38 -0.04 0.97 0.66 1h4iC1 VAL 361 HG23 -0.10 0.00 -0.21 -0.04 0.95 0.61 1h4iC1 ASP 362 H -0.01 0.67 0.09 -0.55 8.40 8.59 1h4iC1 ASP 362 HA 0.00 0.06 0.64 -0.75 4.63 4.58 1h4iC1 ASP 362 HB2 0.00 0.11 0.12 -0.04 2.71 2.90 1h4iC1 ASP 362 HB3 0.02 -0.05 0.21 -0.04 2.70 2.84 1h4iC1 LEU 363 H 0.00 0.21 0.17 -0.55 8.37 8.20 1h4iC1 LEU 363 HA 0.02 0.15 0.32 -0.75 4.35 4.09 1h4iC1 LEU 363 HB2 -0.01 -0.05 0.07 -0.04 1.64 1.61 1h4iC1 LEU 363 HB3 -0.01 0.07 -0.03 -0.04 1.64 1.63 1h4iC1 LEU 363 HG -0.02 0.07 0.02 -0.04 1.64 1.67 1h4iC1 LEU 363 HD13 -0.03 0.01 -0.05 -0.04 0.93 0.82 1h4iC1 LEU 363 HD23 -0.03 -0.02 -0.26 -0.04 0.89 0.54 1h4iC1 LYS 364 H 0.01 -0.00 -0.16 -0.55 8.42 7.71 1h4iC1 LYS 364 HA 0.01 0.20 0.61 -0.75 4.32 4.38 1h4iC1 LYS 364 HB2 -0.04 0.04 0.05 -0.04 1.87 1.88 1h4iC1 LYS 364 HB3 -0.01 -0.05 0.07 -0.04 1.79 1.75 1h4iC1 LYS 364 HG2 -0.02 0.00 -0.04 -0.04 1.46 1.36 1h4iC1 LYS 364 HG3 -0.00 -0.11 -0.04 -0.04 1.46 1.27 1h4iC1 LYS 364 HD2 -0.03 -0.01 -0.13 -0.04 1.69 1.47 1h4iC1 LYS 364 HD3 -0.00 0.06 -0.73 -0.04 1.68 0.96 1h4iC1 LYS 364 HE2 -0.12 0.03 -0.04 -0.04 2.99 2.82 1h4iC1 LYS 364 HE3 -0.10 -0.03 -0.05 -0.04 2.99 2.77 1h4iC1 THR 365 H 0.05 -0.03 -0.11 -0.55 8.28 7.65 1h4iC1 THR 365 HA 0.16 0.17 0.68 -0.75 4.39 4.65 1h4iC1 THR 365 HB 0.09 0.09 0.06 -0.04 4.32 4.52 1h4iC1 THR 365 HG23 0.03 -0.01 0.00 -0.04 1.22 1.20 1h4iC1 GLY 366 H 0.11 0.30 -0.22 -0.55 8.43 8.07 1h4iC1 GLY 366 HA2 0.12 0.01 0.20 -0.51 4.01 3.83 1h4iC1 GLY 366 HA3 0.24 0.12 0.49 -0.51 4.01 4.34 1h4iC1 GLN 367 H 0.07 -0.14 -0.34 -0.55 8.47 7.51 1h4iC1 GLN 367 HA -0.02 0.34 0.72 -0.75 4.36 4.65 1h4iC1 GLN 367 HB2 0.01 -0.17 0.04 -0.04 2.15 1.98 1h4iC1 GLN 367 HB3 -0.02 0.10 -0.04 -0.04 2.02 2.02 1h4iC1 GLN 367 HG2 0.05 0.06 -0.16 -0.04 2.40 2.31 1h4iC1 GLN 367 HG3 0.01 -0.07 -0.03 -0.04 2.39 2.27 1h4iC1 GLN 367 HE21 -0.07 0.01 -0.02 -0.04 6.97 6.85 1h4iC1 GLN 367 HE22 0.03 0.08 -0.12 -0.04 7.69 7.64 1h4iC1 PRO 368 HA -0.21 -0.00 0.83 -0.51 4.44 4.55 1h4iC1 PRO 368 HB2 -1.62 -0.01 -0.02 -0.04 2.28 0.59 1h4iC1 PRO 368 HB3 -0.58 0.02 0.10 -0.04 2.02 1.52 1h4iC1 PRO 368 HG2 -0.34 -0.05 0.19 -0.04 2.03 1.78 1h4iC1 PRO 368 HG3 -0.39 0.28 0.22 -0.04 2.03 2.10 1h4iC1 PRO 368 HD2 -0.12 0.05 0.30 -0.04 3.68 3.86 1h4iC1 PRO 368 HD3 -0.11 0.32 0.24 -0.04 3.65 4.05 1h4iC1 VAL 369 H -0.09 0.64 0.33 -0.55 8.24 8.57 1h4iC1 VAL 369 HA 0.00 0.08 0.71 -0.75 4.13 4.17 1h4iC1 VAL 369 HB 0.02 -0.18 0.19 -0.04 2.12 2.12 1h4iC1 VAL 369 HG13 0.04 0.03 -0.06 -0.04 0.97 0.93 1h4iC1 VAL 369 HG23 -0.01 -0.00 -0.05 -0.04 0.95 0.86 1h4iC1 ARG 370 H 0.10 0.17 0.19 -0.55 8.46 8.37 1h4iC1 ARG 370 HA 0.44 0.19 0.50 -0.75 4.34 4.72 1h4iC1 ARG 370 HB2 0.16 -0.08 0.07 -0.04 1.90 2.01 1h4iC1 ARG 370 HB3 0.29 0.06 -0.01 -0.04 1.80 2.10 1h4iC1 ARG 370 HG2 0.59 0.05 -0.02 -0.04 1.67 2.25 1h4iC1 ARG 370 HG3 0.18 0.10 0.06 -0.04 1.67 1.96 1h4iC1 ARG 370 HD2 0.14 0.02 0.03 -0.04 3.22 3.37 1h4iC1 ARG 370 HD3 0.15 -0.09 0.01 -0.04 3.22 3.25 1h4iC1 ASP 371 H 0.17 0.68 0.17 -0.55 8.40 8.87 1h4iC1 ASP 371 HA 0.09 0.14 0.87 -0.75 4.63 4.98 1h4iC1 ASP 371 HB2 0.13 -0.02 -0.05 -0.04 2.71 2.72 1h4iC1 ASP 371 HB3 0.22 0.20 0.19 -0.04 2.70 3.27 1h4iC1 PRO 372 HA 0.05 0.09 0.38 -0.51 4.44 4.45 1h4iC1 PRO 372 HB2 -0.02 0.01 -0.00 -0.04 2.28 2.23 1h4iC1 PRO 372 HB3 -0.01 0.04 0.07 -0.04 2.02 2.08 1h4iC1 PRO 372 HG2 0.01 0.01 0.05 -0.04 2.03 2.06 1h4iC1 PRO 372 HG3 0.04 0.05 0.00 -0.04 2.03 2.08 1h4iC1 PRO 372 HD2 0.02 0.05 0.16 -0.04 3.68 3.88 1h4iC1 PRO 372 HD3 0.06 0.42 0.05 -0.04 3.65 4.14 1h4iC1 GLU 373 H -0.09 0.05 -0.42 -0.55 8.60 7.60 1h4iC1 GLU 373 HA -0.17 0.08 0.41 -0.75 4.29 3.85 1h4iC1 GLU 373 HB2 -0.22 -0.08 0.07 -0.04 2.09 1.83 1h4iC1 GLU 373 HB3 -0.86 0.09 -0.02 -0.04 1.99 1.16 1h4iC1 GLU 373 HG2 -0.24 0.05 0.13 -0.04 2.34 2.24 1h4iC1 GLU 373 HG3 -0.14 -0.05 0.04 -0.04 2.34 2.16 1h4iC1 TYR 374 H -0.03 0.45 -0.20 -0.55 8.29 7.96 1h4iC1 TYR 374 HA 0.10 0.21 0.90 -0.75 4.56 5.01 1h4iC1 TYR 374 HB2 -0.05 0.10 0.12 -0.04 3.06 3.19 1h4iC1 TYR 374 HB3 -0.04 -0.07 0.14 -0.04 2.98 2.97 1h4iC1 TYR 374 HD2 0.01 0.13 -0.04 -0.04 7.15 7.21 1h4iC1 TYR 374 HE2 0.02 -0.02 -0.01 -0.04 6.85 6.80 1h4iC1 GLY 375 H 0.10 0.26 -0.28 -0.55 8.43 7.97 1h4iC1 GLY 375 HA2 0.44 0.08 0.62 -0.51 4.01 4.64 1h4iC1 GLY 375 HA3 0.12 0.00 0.28 -0.51 4.01 3.91 1h4iC1 THR 376 H -0.41 0.12 0.21 -0.55 8.28 7.65 1h4iC1 THR 376 HA 0.01 0.22 0.90 -0.75 4.39 4.77 1h4iC1 THR 376 HB -0.37 -0.07 0.10 -0.04 4.32 3.94 1h4iC1 THR 376 HG23 -1.05 0.00 -0.07 -0.04 1.22 0.07 1h4iC1 ARG 377 H 0.15 0.38 0.22 -0.55 8.46 8.66 1h4iC1 ARG 377 HA 0.02 -0.06 0.40 -0.75 4.34 3.95 1h4iC1 ARG 377 HB2 0.00 -0.08 0.12 -0.04 1.90 1.91 1h4iC1 ARG 377 HB3 -0.03 0.14 -0.38 -0.04 1.80 1.49 1h4iC1 ARG 377 HG2 0.08 -0.06 -0.17 -0.04 1.67 1.48 1h4iC1 ARG 377 HG3 0.05 0.33 -0.32 -0.04 1.67 1.69 1h4iC1 ARG 377 HD2 -0.08 -0.01 -0.11 -0.04 3.22 2.98 1h4iC1 ARG 377 HD3 -0.06 -0.05 -0.08 -0.04 3.22 2.99 1h4iC1 MET 378 H 0.06 0.06 0.13 -0.55 8.47 8.17 1h4iC1 MET 378 HA 0.11 0.05 0.40 -0.75 4.52 4.32 1h4iC1 MET 378 HB2 0.06 -0.05 0.12 -0.04 2.15 2.24 1h4iC1 MET 378 HB3 0.06 0.05 0.03 -0.04 2.03 2.13 1h4iC1 MET 378 HG2 0.06 0.02 -0.02 -0.04 2.63 2.65 1h4iC1 MET 378 HG3 0.07 0.02 0.01 -0.04 2.56 2.62 1h4iC1 MET 378 HE3 0.10 -0.04 0.05 -0.04 2.10 2.18 1h4iC1 ASP 379 H 0.11 0.13 0.19 -0.55 8.40 8.28 1h4iC1 ASP 379 HA 0.09 -0.01 0.34 -0.75 4.63 4.30 1h4iC1 ASP 379 HB2 0.07 0.15 -0.13 -0.04 2.71 2.76 1h4iC1 ASP 379 HB3 0.07 -0.02 0.19 -0.04 2.70 2.90 1h4iC1 HIS 380 H 0.17 0.23 -0.07 -0.55 8.41 8.19 1h4iC1 HIS 380 HA 0.06 0.01 0.72 -0.75 4.63 4.67 1h4iC1 HIS 380 HB2 0.04 0.06 -0.19 -0.04 3.26 3.14 1h4iC1 HIS 380 HB3 0.06 0.12 -0.13 -0.04 3.20 3.20 1h4iC1 HIS 380 HD2 0.04 -0.07 0.03 -0.04 6.97 6.92 1h4iC1 HIS 380 HE1 0.04 0.11 -0.04 -0.04 7.75 7.82 1h4iC1 LEU 381 H -0.24 0.14 0.13 -0.55 8.37 7.86 1h4iC1 LEU 381 HA -0.01 0.23 0.94 -0.75 4.35 4.75 1h4iC1 LEU 381 HB2 0.00 -0.05 0.05 -0.04 1.64 1.60 1h4iC1 LEU 381 HB3 -0.06 -0.04 0.18 -0.04 1.64 1.68 1h4iC1 LEU 381 HG 0.02 0.06 -0.27 -0.04 1.64 1.41 1h4iC1 LEU 381 HD13 0.09 0.02 -0.14 -0.04 0.93 0.87 1h4iC1 LEU 381 HD23 0.03 -0.02 -0.04 -0.04 0.89 0.82 1h4iC1 ALA 382 H 0.06 0.78 0.44 -0.55 8.40 9.13 1h4iC1 ALA 382 HA 0.01 0.12 0.76 -0.75 4.34 4.47 1h4iC1 ALA 382 HB3 0.20 0.02 0.10 -0.04 1.41 1.69 1h4iC1 LYS 383 H 0.15 0.31 0.26 -0.55 8.42 8.59 1h4iC1 LYS 383 HA 0.20 0.10 1.12 -0.75 4.32 4.99 1h4iC1 LYS 383 HB2 0.12 0.03 0.03 -0.04 1.87 2.00 1h4iC1 LYS 383 HB3 0.13 -0.05 0.04 -0.04 1.79 1.87 1h4iC1 LYS 383 HG2 0.10 -0.02 -0.16 -0.04 1.46 1.34 1h4iC1 LYS 383 HG3 0.05 0.07 -0.57 -0.04 1.46 0.98 1h4iC1 LYS 383 HD2 0.04 -0.03 -0.07 -0.04 1.69 1.60 1h4iC1 LYS 383 HD3 0.05 0.02 -0.03 -0.04 1.68 1.67 1h4iC1 LYS 383 HE2 0.06 0.02 -0.04 -0.04 2.99 2.99 1h4iC1 LYS 383 HE3 0.05 -0.02 -0.04 -0.04 2.99 2.94 1h4iC1 ASP 384 H 0.29 0.09 0.06 -0.55 8.40 8.30 1h4iC1 ASP 384 HA 0.26 -0.02 0.23 -0.75 4.63 4.35 1h4iC1 ASP 384 HB2 0.19 0.10 -0.20 -0.04 2.71 2.75 1h4iC1 ASP 384 HB3 0.10 0.00 0.17 -0.04 2.70 2.93 1h4iC1 ILE 385 H 0.15 0.47 -0.08 -0.55 8.25 8.23 1h4iC1 ILE 385 HA -0.11 0.12 0.48 -0.75 4.18 3.91 1h4iC1 ILE 385 HB 0.09 -0.12 0.03 -0.04 1.89 1.85 1h4iC1 ILE 385 HG12 0.30 0.09 -0.07 -0.04 1.49 1.78 1h4iC1 ILE 385 HG13 0.23 -0.10 -0.28 -0.04 1.21 1.03 1h4iC1 ILE 385 HG23 -0.06 0.04 -0.13 -0.04 0.93 0.74 1h4iC1 ILE 385 HD13 0.22 -0.02 -0.19 -0.04 0.88 0.84 1h4iC1 CYS 386 H -0.35 0.32 0.25 -0.55 8.50 8.17 1h4iC1 CYS 386 HA -0.25 -0.03 0.78 -0.75 4.58 4.33 1h4iC1 CYS 386 HB2 -0.28 0.38 0.24 -0.04 2.97 3.26 1h4iC1 CYS 386 HB3 -0.29 -0.15 -0.01 -0.04 2.97 2.48 1h4iC1 PRO 387 HA -0.52 0.07 0.36 -0.51 4.44 3.84 1h4iC1 PRO 387 HB2 -0.27 0.16 -0.05 -0.04 2.28 2.08 1h4iC1 PRO 387 HB3 -0.33 -0.04 -0.16 -0.04 2.02 1.45 1h4iC1 PRO 387 HG2 -0.67 0.01 -0.17 -0.04 2.03 1.16 1h4iC1 PRO 387 HG3 -1.71 -0.06 -0.03 -0.04 2.03 0.19 1h4iC1 PRO 387 HD2 -0.69 0.06 0.27 -0.04 3.68 3.27 1h4iC1 PRO 387 HD3 -0.69 0.12 0.01 -0.04 3.65 3.05 1h4iC1 SER 388 H 0.02 0.46 0.20 -0.55 8.46 8.60 1h4iC1 SER 388 HA 0.09 0.17 0.45 -0.75 4.49 4.44 1h4iC1 SER 388 HB2 0.06 -0.07 -0.06 -0.04 3.95 3.84 1h4iC1 SER 388 HB3 -0.05 0.07 -0.40 -0.04 3.93 3.52 1h4iC1 ALA 389 H 0.28 0.14 0.05 -0.55 8.40 8.33 1h4iC1 ALA 389 HA 0.28 0.33 0.31 -0.75 4.34 4.50 1h4iC1 ALA 389 HB3 0.44 -0.02 0.07 -0.04 1.41 1.87 1h4iC1 MET 390 H 0.11 0.01 -0.47 -0.55 8.47 7.57 1h4iC1 MET 390 HA 0.41 0.04 0.51 -0.75 4.52 4.73 1h4iC1 MET 390 HB2 0.08 0.02 -0.05 -0.04 2.15 2.15 1h4iC1 MET 390 HB3 0.35 -0.04 0.03 -0.04 2.03 2.32 1h4iC1 MET 390 HG2 -1.76 -0.03 -0.04 -0.04 2.63 0.75 1h4iC1 MET 390 HG3 -0.81 -0.01 -0.09 -0.04 2.56 1.61 1h4iC1 MET 390 HE3 -0.53 -0.02 -0.12 -0.04 2.10 1.38 1h4iC1 GLY 391 H 0.24 0.54 -0.50 -0.55 8.43 8.16 1h4iC1 GLY 391 HA2 0.07 0.24 0.31 -0.51 4.01 4.11 1h4iC1 GLY 391 HA3 0.15 0.05 0.49 -0.51 4.01 4.19 1h4iC1 TYR 392 H 0.05 0.42 0.27 -0.55 8.29 8.47 1h4iC1 TYR 392 HA 0.01 0.22 0.91 -0.75 4.56 4.94 1h4iC1 TYR 392 HB2 -0.10 -0.01 0.14 -0.04 3.06 3.05 1h4iC1 TYR 392 HB3 -0.03 -0.05 0.14 -0.04 2.98 3.00 1h4iC1 TYR 392 HD2 -0.06 0.00 -0.07 -0.04 7.15 6.98 1h4iC1 TYR 392 HE2 -0.13 -0.05 -0.12 -0.04 6.85 6.51 1h4iC1 HIS 393 H 0.14 0.23 -0.12 -0.55 8.41 8.11 1h4iC1 HIS 393 HA -0.01 0.08 0.49 -0.75 4.63 4.44 1h4iC1 HIS 393 HB2 -0.03 -0.03 -0.36 -0.04 3.26 2.81 1h4iC1 HIS 393 HB3 -0.06 0.03 -0.34 -0.04 3.20 2.79 1h4iC1 HIS 393 HD2 -0.04 -0.10 -0.13 -0.04 6.97 6.66 1h4iC1 HIS 393 HE1 -0.01 0.26 0.13 -0.04 7.75 8.08 1h4iC1 ASN 394 H -0.34 0.14 0.07 -0.55 8.53 7.85 1h4iC1 ASN 394 HA 0.06 0.23 0.84 -0.75 4.76 5.13 1h4iC1 ASN 394 HB2 -0.54 0.23 -0.03 -0.04 2.88 2.50 1h4iC1 ASN 394 HB3 -1.35 -0.11 0.14 -0.04 2.79 1.43 1h4iC1 ASN 394 HD21 0.81 -0.09 0.09 -0.04 7.03 7.81 1h4iC1 ASN 394 HD22 0.39 0.52 0.14 -0.04 7.74 8.74 1h4iC1 GLN 395 H -0.06 0.10 0.14 -0.55 8.47 8.11 1h4iC1 GLN 395 HA 0.24 0.09 0.30 -0.75 4.36 4.23 1h4iC1 GLN 395 HB2 0.62 -0.01 0.12 -0.04 2.15 2.84 1h4iC1 GLN 395 HB3 0.16 -0.08 0.13 -0.04 2.02 2.18 1h4iC1 GLN 395 HG2 0.49 0.08 0.10 -0.04 2.40 3.03 1h4iC1 GLN 395 HG3 0.48 -0.01 0.03 -0.04 2.39 2.85 1h4iC1 GLN 395 HE21 0.47 0.17 0.01 -0.04 6.97 7.57 1h4iC1 GLN 395 HE22 0.06 -0.08 -0.18 -0.04 7.69 7.45 1h4iC1 GLY 396 H -0.11 -0.03 -0.57 -0.55 8.43 7.18 1h4iC1 GLY 396 HA2 0.29 0.02 0.08 -0.51 4.01 3.89 1h4iC1 GLY 396 HA3 0.09 0.02 0.06 -0.51 4.01 3.67 1h4iC1 HIS 397 H 0.21 0.28 0.07 -0.55 8.41 8.42 1h4iC1 HIS 397 HA -0.32 0.07 0.86 -0.75 4.63 4.49 1h4iC1 HIS 397 HB2 -1.45 -0.02 0.21 -0.04 3.26 1.95 1h4iC1 HIS 397 HB3 -0.92 0.02 0.33 -0.04 3.20 2.59 1h4iC1 HIS 397 HD2 -1.64 -0.05 0.07 -0.04 6.97 5.32 1h4iC1 HIS 397 HE1 -0.09 0.24 0.04 -0.04 7.75 7.90 1h4iC1 ASP 398 H -0.08 0.14 0.18 -0.55 8.40 8.09 1h4iC1 ASP 398 HA 0.19 -0.07 0.60 -0.75 4.63 4.60 1h4iC1 ASP 398 HB2 0.11 0.01 0.10 -0.04 2.71 2.89 1h4iC1 ASP 398 HB3 0.21 0.17 0.33 -0.04 2.70 3.37 1h4iC1 SER 399 H 0.28 0.33 0.30 -0.55 8.46 8.83 1h4iC1 SER 399 HA 0.29 0.38 0.80 -0.75 4.49 5.20 1h4iC1 SER 399 HB2 0.37 0.04 0.14 -0.04 3.95 4.46 1h4iC1 SER 399 HB3 0.31 0.24 -0.19 -0.04 3.93 4.25 1h4iC1 TYR 400 H 0.30 0.59 0.25 -0.55 8.29 8.88 1h4iC1 TYR 400 HA -0.26 0.19 0.95 -0.75 4.56 4.69 1h4iC1 TYR 400 HB2 -0.22 0.05 -0.21 -0.04 3.06 2.65 1h4iC1 TYR 400 HB3 -0.06 0.02 0.01 -0.04 2.98 2.91 1h4iC1 TYR 400 HD2 -1.17 0.01 -0.30 -0.04 7.15 5.65 1h4iC1 TYR 400 HE2 -0.45 -0.02 -0.25 -0.04 6.85 6.08 1h4iC1 ASP 401 H -0.65 0.68 0.23 -0.55 8.40 8.11 1h4iC1 ASP 401 HA -0.92 0.18 0.74 -0.75 4.63 3.87 1h4iC1 ASP 401 HB2 0.33 0.09 0.04 -0.04 2.71 3.12 1h4iC1 ASP 401 HB3 -0.27 -0.07 0.19 -0.04 2.70 2.51 1h4iC1 PRO 402 HA -0.50 0.10 0.35 -0.51 4.44 3.88 1h4iC1 PRO 402 HB2 -0.26 0.01 0.03 -0.04 2.28 2.02 1h4iC1 PRO 402 HB3 -0.10 0.05 0.08 -0.04 2.02 2.01 1h4iC1 PRO 402 HG2 -0.30 0.04 0.08 -0.04 2.03 1.81 1h4iC1 PRO 402 HG3 -0.20 0.11 0.04 -0.04 2.03 1.94 1h4iC1 PRO 402 HD2 -1.48 0.01 0.19 -0.04 3.68 2.36 1h4iC1 PRO 402 HD3 -1.37 0.43 0.37 -0.04 3.65 3.04 1h4iC1 LYS 403 H -0.40 0.11 -0.09 -0.55 8.42 7.48 1h4iC1 LYS 403 HA -0.11 0.12 0.46 -0.75 4.32 4.03 1h4iC1 LYS 403 HB2 -0.06 0.00 0.09 -0.04 1.87 1.86 1h4iC1 LYS 403 HB3 -0.08 -0.06 0.04 -0.04 1.79 1.65 1h4iC1 LYS 403 HG2 -0.03 0.04 -0.22 -0.04 1.46 1.20 1h4iC1 LYS 403 HG3 -0.03 0.01 0.03 -0.04 1.46 1.44 1h4iC1 LYS 403 HD2 0.03 -0.00 0.01 -0.04 1.69 1.69 1h4iC1 LYS 403 HD3 0.03 -0.01 -0.05 -0.04 1.68 1.60 1h4iC1 LYS 403 HE2 0.01 0.00 0.00 -0.04 2.99 2.96 1h4iC1 LYS 403 HE3 0.02 0.01 -0.00 -0.04 2.99 2.98 1h4iC1 ARG 404 H -0.24 -0.00 -0.27 -0.55 8.46 7.40 1h4iC1 ARG 404 HA -0.08 0.19 0.69 -0.75 4.34 4.38 1h4iC1 ARG 404 HB2 -0.07 -0.08 0.03 -0.04 1.90 1.74 1h4iC1 ARG 404 HB3 -0.09 0.04 -0.08 -0.04 1.80 1.63 1h4iC1 ARG 404 HG2 0.02 0.05 -0.01 -0.04 1.67 1.69 1h4iC1 ARG 404 HG3 0.02 -0.04 -0.11 -0.04 1.67 1.50 1h4iC1 ARG 404 HD2 0.23 0.09 -0.15 -0.04 3.22 3.35 1h4iC1 ARG 404 HD3 0.14 -0.01 -0.14 -0.04 3.22 3.17 1h4iC1 GLU 405 H -0.42 0.23 -0.24 -0.55 8.60 7.62 1h4iC1 GLU 405 HA -0.30 -0.00 0.22 -0.75 4.29 3.45 1h4iC1 GLU 405 HB2 -0.10 0.15 0.03 -0.04 2.09 2.13 1h4iC1 GLU 405 HB3 -0.03 -0.15 0.18 -0.04 1.99 1.95 1h4iC1 GLU 405 HG2 -0.01 0.01 0.03 -0.04 2.34 2.33 1h4iC1 GLU 405 HG3 -0.10 0.11 -0.28 -0.04 2.34 2.03 1h4iC1 LEU 406 H -0.62 0.20 -0.07 -0.55 8.37 7.33 1h4iC1 LEU 406 HA -0.30 0.37 0.92 -0.75 4.35 4.59 1h4iC1 LEU 406 HB2 -0.30 -0.07 -0.23 -0.04 1.64 1.00 1h4iC1 LEU 406 HB3 -0.84 -0.04 -0.13 -0.04 1.64 0.59 1h4iC1 LEU 406 HG -0.36 -0.08 -0.21 -0.04 1.64 0.95 1h4iC1 LEU 406 HD13 -0.18 0.06 -0.30 -0.04 0.93 0.46 1h4iC1 LEU 406 HD23 -0.00 0.02 -0.10 -0.04 0.89 0.77 1h4iC1 PHE 407 H -0.03 0.67 0.36 -0.55 8.34 8.78 1h4iC1 PHE 407 HA -0.06 0.24 1.01 -0.75 4.62 5.06 1h4iC1 PHE 407 HB2 0.09 -0.07 0.08 -0.04 3.15 3.20 1h4iC1 PHE 407 HB3 0.04 0.09 -0.05 -0.04 3.06 3.09 1h4iC1 PHE 407 HD2 0.03 0.13 -0.12 -0.04 7.28 7.28 1h4iC1 PHE 407 HE2 -0.19 -0.04 -0.19 -0.04 7.38 6.92 1h4iC1 PHE 407 HZ -0.45 -0.04 -0.25 -0.04 7.32 6.54 1h4iC1 PHE 408 H 0.13 0.57 0.16 -0.55 8.34 8.64 1h4iC1 PHE 408 HA -0.07 0.29 0.85 -0.75 4.62 4.94 1h4iC1 PHE 408 HB2 0.14 -0.04 0.07 -0.04 3.15 3.28 1h4iC1 PHE 408 HB3 0.09 0.02 -0.06 -0.04 3.06 3.07 1h4iC1 PHE 408 HD2 -0.07 0.04 -0.20 -0.04 7.28 7.00 1h4iC1 PHE 408 HE2 0.11 0.04 -0.10 -0.04 7.38 7.39 1h4iC1 PHE 408 HZ 0.11 -0.02 -0.10 -0.04 7.32 7.27 1h4iC1 MET 409 H 0.08 0.64 0.23 -0.55 8.47 8.87 1h4iC1 MET 409 HA 0.18 0.15 1.08 -0.75 4.52 5.17 1h4iC1 MET 409 HB2 0.08 -0.03 -0.04 -0.04 2.15 2.12 1h4iC1 MET 409 HB3 0.21 0.08 -0.13 -0.04 2.03 2.15 1h4iC1 MET 409 HG2 0.13 0.04 -0.29 -0.04 2.63 2.47 1h4iC1 MET 409 HG3 0.12 0.02 -0.33 -0.04 2.56 2.33 1h4iC1 MET 409 HE3 -0.16 0.00 -0.17 -0.04 2.10 1.73 1h4iC1 GLY 410 H 0.11 0.16 0.09 -0.55 8.43 8.23 1h4iC1 GLY 410 HA2 -0.01 0.07 0.73 -0.51 4.01 4.29 1h4iC1 GLY 410 HA3 0.02 0.09 0.36 -0.51 4.01 3.97 1h4iC1 ILE 411 H -0.02 0.61 0.43 -0.55 8.25 8.72 1h4iC1 ILE 411 HA -0.10 0.25 0.91 -0.75 4.18 4.49 1h4iC1 ILE 411 HB -0.06 -0.09 -0.03 -0.04 1.89 1.67 1h4iC1 ILE 411 HG12 0.04 0.10 -0.09 -0.04 1.49 1.50 1h4iC1 ILE 411 HG13 0.03 -0.11 -0.61 -0.04 1.21 0.48 1h4iC1 ILE 411 HG23 -0.13 0.04 -0.08 -0.04 0.93 0.72 1h4iC1 ILE 411 HD13 -0.06 -0.01 -0.12 -0.04 0.88 0.65 1h4iC1 ASN 412 H -0.00 0.67 0.12 -0.55 8.53 8.77 1h4iC1 ASN 412 HA 0.15 0.11 0.99 -0.75 4.76 5.25 1h4iC1 ASN 412 HB2 0.19 0.23 0.00 -0.04 2.88 3.26 1h4iC1 ASN 412 HB3 0.27 -0.05 -0.00 -0.04 2.79 2.97 1h4iC1 ASN 412 HD21 -0.15 -0.17 -0.21 -0.04 7.03 6.46 1h4iC1 ASN 412 HD22 0.22 0.35 -0.34 -0.04 7.74 7.94 1h4iC1 HIS 413 H 0.10 0.68 -0.15 -0.55 8.41 8.48 1h4iC1 HIS 413 HA -0.50 0.18 0.80 -0.75 4.63 4.36 1h4iC1 HIS 413 HB2 -0.18 -0.01 -0.42 -0.04 3.26 2.61 1h4iC1 HIS 413 HB3 -0.10 0.07 0.02 -0.04 3.20 3.15 1h4iC1 HIS 413 HD2 -0.07 0.14 -0.06 -0.04 6.97 6.93 1h4iC1 HIS 413 HE1 -0.07 -0.02 -0.08 -0.04 7.75 7.53 1h4iC1 ILE 414 H 0.11 0.33 -0.09 -0.55 8.25 8.05 1h4iC1 ILE 414 HA -0.08 0.26 0.94 -0.75 4.18 4.54 1h4iC1 ILE 414 HB 0.09 -0.06 -0.04 -0.04 1.89 1.84 1h4iC1 ILE 414 HG12 -0.00 0.08 -0.23 -0.04 1.49 1.30 1h4iC1 ILE 414 HG13 0.12 -0.18 -0.38 -0.04 1.21 0.74 1h4iC1 ILE 414 HG23 -0.09 0.03 -0.09 -0.04 0.93 0.74 1h4iC1 ILE 414 HD13 0.32 -0.00 -0.08 -0.04 0.88 1.07 1h4iC1 CYS 415 H -0.22 0.63 0.17 -0.55 8.50 8.54 1h4iC1 CYS 415 HA -0.11 0.15 0.80 -0.75 4.58 4.66 1h4iC1 CYS 415 HB2 -0.02 0.01 -0.14 -0.04 2.97 2.79 1h4iC1 CYS 415 HB3 -0.05 0.13 -0.22 -0.04 2.97 2.79 1h4iC1 MET 416 H -0.09 0.59 0.21 -0.55 8.47 8.63 1h4iC1 MET 416 HA -0.54 0.18 0.92 -0.75 4.52 4.33 1h4iC1 MET 416 HB2 0.12 0.08 0.15 -0.04 2.15 2.46 1h4iC1 MET 416 HB3 -0.02 -0.11 -0.30 -0.04 2.03 1.56 1h4iC1 MET 416 HG2 0.10 0.15 -0.04 -0.04 2.63 2.80 1h4iC1 MET 416 HG3 0.26 0.02 -0.40 -0.04 2.56 2.39 1h4iC1 MET 416 HE3 0.13 0.05 -0.08 -0.04 2.10 2.16 1h4iC1 ASP 417 H 0.18 0.57 0.49 -0.55 8.40 9.09 1h4iC1 ASP 417 HA 0.25 0.22 1.00 -0.75 4.63 5.34 1h4iC1 ASP 417 HB2 0.23 -0.09 0.16 -0.04 2.71 2.97 1h4iC1 ASP 417 HB3 0.18 0.06 0.10 -0.04 2.70 3.01 1h4iC1 TRP 418 H 0.30 0.71 0.36 -0.55 7.97 8.78 1h4iC1 TRP 418 HA 0.12 0.19 0.95 -0.75 4.62 5.13 1h4iC1 TRP 418 HB2 0.13 0.02 -0.32 -0.04 3.23 3.03 1h4iC1 TRP 418 HB3 0.12 0.02 -0.02 -0.04 3.23 3.31 1h4iC1 TRP 418 HD1 0.06 -0.01 -0.54 -0.04 7.22 6.69 1h4iC1 TRP 418 HE1 0.00 -0.07 -0.15 -0.04 10.20 9.94 1h4iC1 TRP 418 HE3 0.15 -0.03 -0.10 -0.04 7.59 7.57 1h4iC1 TRP 418 HZ2 0.07 0.19 -0.22 -0.04 7.44 7.45 1h4iC1 TRP 418 HZ3 -0.06 0.04 -0.21 -0.04 7.13 6.87 1h4iC1 TRP 418 HH2 -0.34 -0.09 -0.29 -0.04 7.19 6.43 1h4iC1 GLU 419 H -0.03 0.53 0.32 -0.55 8.60 8.88 1h4iC1 GLU 419 HA 0.29 0.37 0.92 -0.75 4.29 5.11 1h4iC1 GLU 419 HB2 0.10 -0.03 0.03 -0.04 2.09 2.15 1h4iC1 GLU 419 HB3 0.09 -0.07 0.12 -0.04 1.99 2.08 1h4iC1 GLU 419 HG2 0.13 0.02 -0.15 -0.04 2.34 2.29 1h4iC1 GLU 419 HG3 0.14 0.11 0.09 -0.04 2.34 2.64 1h4iC1 PRO 420 HA -0.10 0.16 0.92 -0.51 4.44 4.92 1h4iC1 PRO 420 HB2 0.07 0.00 0.10 -0.04 2.28 2.40 1h4iC1 PRO 420 HB3 0.34 0.05 0.07 -0.04 2.02 2.43 1h4iC1 PRO 420 HG2 0.15 -0.14 -0.11 -0.04 2.03 1.89 1h4iC1 PRO 420 HG3 0.21 -0.07 -0.28 -0.04 2.03 1.85 1h4iC1 PRO 420 HD2 0.22 0.17 0.30 -0.04 3.68 4.33 1h4iC1 PRO 420 HD3 0.47 0.16 0.12 -0.04 3.65 4.35 1h4iC1 PHE 421 H -0.43 0.70 0.25 -0.55 8.34 8.31 1h4iC1 PHE 421 HA 0.03 0.04 0.59 -0.75 4.62 4.52 1h4iC1 PHE 421 HB2 -0.00 0.01 0.09 -0.04 3.15 3.21 1h4iC1 PHE 421 HB3 -0.01 0.07 -0.11 -0.04 3.06 2.97 1h4iC1 PHE 421 HD2 -0.04 0.19 -0.34 -0.04 7.28 7.05 1h4iC1 PHE 421 HE2 -0.10 0.05 -0.24 -0.04 7.38 7.06 1h4iC1 PHE 421 HZ -0.13 -0.03 -0.03 -0.04 7.32 7.09 1h4iC1 MET 422 H 0.19 0.09 0.14 -0.55 8.47 8.34 1h4iC1 MET 422 HA 0.04 0.12 0.63 -0.75 4.52 4.56 1h4iC1 MET 422 HB2 0.11 -0.02 0.07 -0.04 2.15 2.26 1h4iC1 MET 422 HB3 0.09 0.05 0.02 -0.04 2.03 2.14 1h4iC1 MET 422 HG2 0.08 -0.08 0.04 -0.04 2.63 2.63 1h4iC1 MET 422 HG3 0.07 0.02 0.01 -0.04 2.56 2.62 1h4iC1 MET 422 HE3 0.07 0.02 -0.01 -0.04 2.10 2.13 1h4iC1 LEU 423 H 0.10 0.31 0.21 -0.55 8.37 8.44 1h4iC1 LEU 423 HA 0.15 0.08 0.58 -0.75 4.35 4.41 1h4iC1 LEU 423 HB2 0.19 0.11 0.09 -0.04 1.64 1.99 1h4iC1 LEU 423 HB3 0.26 0.05 -0.20 -0.04 1.64 1.71 1h4iC1 LEU 423 HG -0.12 -0.16 -0.12 -0.04 1.64 1.20 1h4iC1 LEU 423 HD13 -0.14 0.01 -0.08 -0.04 0.93 0.68 1h4iC1 LEU 423 HD23 0.24 0.05 -0.10 -0.04 0.89 1.04 1h4iC1 PRO 424 HA 0.16 0.10 0.63 -0.51 4.44 4.82 1h4iC1 PRO 424 HB2 0.03 0.06 -0.13 -0.04 2.28 2.20 1h4iC1 PRO 424 HB3 0.05 0.02 0.08 -0.04 2.02 2.13 1h4iC1 PRO 424 HG2 0.05 0.04 0.03 -0.04 2.03 2.10 1h4iC1 PRO 424 HG3 0.07 0.01 0.01 -0.04 2.03 2.08 1h4iC1 PRO 424 HD2 0.10 0.13 0.17 -0.04 3.68 4.05 1h4iC1 PRO 424 HD3 0.11 0.10 0.21 -0.04 3.65 4.03 1h4iC1 TYR 425 H 0.08 0.13 0.16 -0.55 8.29 8.11 1h4iC1 TYR 425 HA -0.38 0.22 0.76 -0.75 4.56 4.41 1h4iC1 TYR 425 HB2 -1.33 0.07 0.00 -0.04 3.06 1.76 1h4iC1 TYR 425 HB3 -0.35 -0.07 0.13 -0.04 2.98 2.65 1h4iC1 TYR 425 HD2 -0.73 -0.03 -0.11 -0.04 7.15 6.23 1h4iC1 TYR 425 HE2 -0.19 0.13 -0.05 -0.04 6.85 6.70 1h4iC1 ARG 426 H -0.60 0.41 0.00 -0.55 8.46 7.72 1h4iC1 ARG 426 HA -0.41 0.09 0.74 -0.75 4.34 4.00 1h4iC1 ARG 426 HB2 -0.20 -0.01 0.05 -0.04 1.90 1.70 1h4iC1 ARG 426 HB3 -0.18 0.02 0.04 -0.04 1.80 1.63 1h4iC1 ARG 426 HG2 -0.08 -0.03 -0.08 -0.04 1.67 1.44 1h4iC1 ARG 426 HG3 -0.12 0.07 -0.19 -0.04 1.67 1.39 1h4iC1 ARG 426 HD2 -0.02 -0.06 -0.32 -0.04 3.22 2.78 1h4iC1 ARG 426 HD3 -0.11 -0.20 -0.91 -0.04 3.22 1.96 1h4iC1 ALA 427 H -0.48 0.09 0.07 -0.55 8.40 7.53 1h4iC1 ALA 427 HA -0.39 0.15 0.50 -0.75 4.34 3.85 1h4iC1 ALA 427 HB3 -0.10 -0.00 0.12 -0.04 1.41 1.39 1h4iC1 GLY 428 H -0.15 0.31 0.08 -0.55 8.43 8.13 1h4iC1 GLY 428 HA2 -0.12 -0.06 0.10 -0.51 4.01 3.42 1h4iC1 GLY 428 HA3 -0.11 0.16 0.70 -0.51 4.01 4.25 1h4iC1 GLN 429 H -0.21 0.54 -0.26 -0.55 8.47 7.99 1h4iC1 GLN 429 HA -0.07 0.09 0.82 -0.75 4.36 4.44 1h4iC1 GLN 429 HB2 -0.13 0.11 0.09 -0.04 2.15 2.18 1h4iC1 GLN 429 HB3 -0.00 -0.01 0.08 -0.04 2.02 2.04 1h4iC1 GLN 429 HG2 -0.04 -0.01 -0.05 -0.04 2.40 2.26 1h4iC1 GLN 429 HG3 -0.10 0.03 -0.15 -0.04 2.39 2.13 1h4iC1 GLN 429 HE21 -0.04 -0.05 -0.03 -0.04 6.97 6.82 1h4iC1 GLN 429 HE22 -0.06 0.01 -0.05 -0.04 7.69 7.55 1h4iC1 PHE 430 H 0.19 0.05 0.17 -0.55 8.34 8.20 1h4iC1 PHE 430 HA 0.01 0.12 0.50 -0.75 4.62 4.50 1h4iC1 PHE 430 HB2 -0.05 -0.04 0.18 -0.04 3.15 3.19 1h4iC1 PHE 430 HB3 -0.08 -0.10 0.09 -0.04 3.06 2.93 1h4iC1 PHE 430 HD2 -0.10 -0.01 0.04 -0.04 7.28 7.17 1h4iC1 PHE 430 HE2 -0.12 0.06 -0.01 -0.04 7.38 7.27 1h4iC1 PHE 430 HZ -0.13 0.11 -0.52 -0.04 7.32 6.74 1h4iC1 PHE 431 H 0.22 0.74 0.28 -0.55 8.34 9.02 1h4iC1 PHE 431 HA 0.04 0.12 0.65 -0.75 4.62 4.68 1h4iC1 PHE 431 HB2 0.15 0.14 -0.28 -0.04 3.15 3.11 1h4iC1 PHE 431 HB3 0.12 -0.07 -0.12 -0.04 3.06 2.95 1h4iC1 PHE 431 HD2 0.11 0.05 -0.08 -0.04 7.28 7.33 1h4iC1 PHE 431 HE2 0.07 0.14 -0.25 -0.04 7.38 7.30 1h4iC1 PHE 431 HZ 0.06 0.02 -0.04 -0.04 7.32 7.32 1h4iC1 VAL 432 H -0.10 0.09 0.01 -0.55 8.24 7.69 1h4iC1 VAL 432 HA -0.57 0.15 0.90 -0.75 4.13 3.86 1h4iC1 VAL 432 HB -0.45 -0.05 0.20 -0.04 2.12 1.78 1h4iC1 VAL 432 HG13 -1.73 -0.01 -0.02 -0.04 0.97 -0.83 1h4iC1 VAL 432 HG23 -0.37 0.00 0.06 -0.04 0.95 0.60 1h4iC1 GLY 433 H -0.42 0.10 0.12 -0.55 8.43 7.67 1h4iC1 GLY 433 HA2 -1.58 0.08 0.30 -0.51 4.01 2.30 1h4iC1 GLY 433 HA3 -0.59 0.12 0.45 -0.51 4.01 3.48 1h4iC1 ALA 434 H -0.57 0.18 -0.06 -0.55 8.40 7.41 1h4iC1 ALA 434 HA -0.38 0.16 0.76 -0.75 4.34 4.13 1h4iC1 ALA 434 HB3 -0.78 0.02 -0.21 -0.04 1.41 0.39 1h4iC1 THR 435 H -0.17 0.83 0.31 -0.55 8.28 8.70 1h4iC1 THR 435 HA -0.05 0.10 0.92 -0.75 4.39 4.60 1h4iC1 THR 435 HB 0.08 -0.03 0.01 -0.04 4.32 4.33 1h4iC1 THR 435 HG23 0.07 0.02 0.07 -0.04 1.22 1.35 1h4iC1 LEU 436 H -0.02 0.17 0.11 -0.55 8.37 8.08 1h4iC1 LEU 436 HA 0.06 0.34 1.14 -0.75 4.35 5.14 1h4iC1 LEU 436 HB2 0.12 -0.02 -0.14 -0.04 1.64 1.56 1h4iC1 LEU 436 HB3 0.16 0.01 -0.09 -0.04 1.64 1.68 1h4iC1 LEU 436 HG 0.18 0.10 -0.05 -0.04 1.64 1.83 1h4iC1 LEU 436 HD13 -0.50 -0.03 -0.45 -0.04 0.93 -0.10 1h4iC1 LEU 436 HD23 0.45 0.03 -0.06 -0.04 0.89 1.27 1h4iC1 ASN 437 H 0.15 0.53 0.28 -0.55 8.53 8.95 1h4iC1 ASN 437 HA 0.13 0.14 0.85 -0.75 4.76 5.13 1h4iC1 ASN 437 HB2 0.14 0.01 -0.14 -0.04 2.88 2.85 1h4iC1 ASN 437 HB3 0.21 -0.06 0.13 -0.04 2.79 3.03 1h4iC1 ASN 437 HD21 0.25 0.04 -0.10 -0.04 7.03 7.17 1h4iC1 ASN 437 HD22 0.31 -0.06 -0.03 -0.04 7.74 7.91 1h4iC1 MET 438 H 0.11 0.25 0.25 -0.55 8.47 8.54 1h4iC1 MET 438 HA -0.37 0.33 1.25 -0.75 4.52 4.99 1h4iC1 MET 438 HB2 -0.01 0.03 0.08 -0.04 2.15 2.22 1h4iC1 MET 438 HB3 -0.11 0.02 0.09 -0.04 2.03 1.99 1h4iC1 MET 438 HG2 0.00 0.06 -0.14 -0.04 2.63 2.52 1h4iC1 MET 438 HG3 0.07 -0.05 -0.23 -0.04 2.56 2.31 1h4iC1 MET 438 HE3 0.06 -0.02 -0.13 -0.04 2.10 1.97 1h4iC1 TYR 439 H -0.59 0.58 0.33 -0.55 8.29 8.06 1h4iC1 TYR 439 HA -0.20 0.13 0.62 -0.75 4.56 4.36 1h4iC1 TYR 439 HB2 -0.31 0.08 0.07 -0.04 3.06 2.86 1h4iC1 TYR 439 HB3 -0.06 0.06 -0.07 -0.04 2.98 2.87 1h4iC1 TYR 439 HD2 -0.00 0.18 -0.40 -0.04 7.15 6.88 1h4iC1 TYR 439 HE2 0.03 -0.02 -0.17 -0.04 6.85 6.66 1h4iC1 PRO 440 HA -0.08 0.18 0.55 -0.51 4.44 4.58 1h4iC1 PRO 440 HB2 -0.09 -0.05 -0.30 -0.04 2.28 1.80 1h4iC1 PRO 440 HB3 -0.06 0.13 -0.09 -0.04 2.02 1.96 1h4iC1 PRO 440 HG2 -0.30 0.12 -0.06 -0.04 2.03 1.75 1h4iC1 PRO 440 HG3 -0.22 0.04 -0.11 -0.04 2.03 1.71 1h4iC1 PRO 440 HD2 -0.48 0.08 0.17 -0.04 3.68 3.40 1h4iC1 PRO 440 HD3 -0.79 0.16 0.24 -0.04 3.65 3.21 1h4iC1 GLY 441 H -0.09 0.49 0.13 -0.55 8.43 8.42 1h4iC1 GLY 441 HA2 -0.10 0.13 0.38 -0.51 4.01 3.91 1h4iC1 GLY 441 HA3 -0.72 -0.04 0.13 -0.51 4.01 2.87 1h4iC1 PRO 442 HA 0.05 0.09 0.28 -0.51 4.44 4.34 1h4iC1 PRO 442 HB2 0.10 -0.03 -0.03 -0.04 2.28 2.29 1h4iC1 PRO 442 HB3 0.04 0.03 0.06 -0.04 2.02 2.12 1h4iC1 PRO 442 HG2 0.03 0.09 0.06 -0.04 2.03 2.16 1h4iC1 PRO 442 HG3 0.02 0.08 0.06 -0.04 2.03 2.15 1h4iC1 PRO 442 HD2 -0.03 0.05 0.09 -0.04 3.68 3.75 1h4iC1 PRO 442 HD3 -0.05 0.16 0.15 -0.04 3.65 3.87 1h4iC1 LYS 443 H 0.62 0.02 -0.39 -0.55 8.42 8.12 1h4iC1 LYS 443 HA 0.00 0.19 0.86 -0.75 4.32 4.61 1h4iC1 LYS 443 HB2 -0.54 -0.01 -0.04 -0.04 1.87 1.24 1h4iC1 LYS 443 HB3 -0.18 -0.01 0.10 -0.04 1.79 1.66 1h4iC1 LYS 443 HG2 -0.04 0.05 -0.06 -0.04 1.46 1.37 1h4iC1 LYS 443 HG3 0.04 -0.07 -0.11 -0.04 1.46 1.27 1h4iC1 LYS 443 HD2 -0.34 0.00 -0.06 -0.04 1.69 1.25 1h4iC1 LYS 443 HD3 -0.15 0.02 -0.03 -0.04 1.68 1.47 1h4iC1 LYS 443 HE2 -0.04 0.04 -0.05 -0.04 2.99 2.91 1h4iC1 LYS 443 HE3 -0.00 -0.05 -0.06 -0.04 2.99 2.84 1h4iC1 GLY 444 H 0.14 0.47 -0.16 -0.55 8.43 8.33 1h4iC1 GLY 444 HA2 -0.02 0.07 0.89 -0.51 4.01 4.43 1h4iC1 GLY 444 HA3 0.03 0.22 0.44 -0.51 4.01 4.19 1h4iC1 ASP 445 H -0.05 0.72 0.32 -0.55 8.40 8.84 1h4iC1 ASP 445 HA -0.02 0.12 0.78 -0.75 4.63 4.76 1h4iC1 ASP 445 HB2 -0.03 0.07 0.05 -0.04 2.71 2.77 1h4iC1 ASP 445 HB3 -0.03 -0.07 0.24 -0.04 2.70 2.80 1h4iC1 ARG 446 H -0.04 0.28 0.11 -0.55 8.46 8.25 1h4iC1 ARG 446 HA -0.26 0.15 0.40 -0.75 4.34 3.88 1h4iC1 ARG 446 HB2 -0.08 0.14 -0.03 -0.04 1.90 1.89 1h4iC1 ARG 446 HB3 -0.07 -0.04 0.04 -0.04 1.80 1.69 1h4iC1 ARG 446 HG2 -0.13 -0.03 -0.02 -0.04 1.67 1.44 1h4iC1 ARG 446 HG3 -0.24 0.01 0.09 -0.04 1.67 1.49 1h4iC1 ARG 446 HD2 -0.15 0.15 -0.08 -0.04 3.22 3.10 1h4iC1 ARG 446 HD3 -0.14 -0.03 -0.05 -0.04 3.22 2.95 1h4iC1 GLN 447 H 0.00 -0.02 -0.23 -0.55 8.47 7.67 1h4iC1 GLN 447 HA 0.11 0.22 0.70 -0.75 4.36 4.63 1h4iC1 GLN 447 HB2 0.03 -0.06 0.08 -0.04 2.15 2.16 1h4iC1 GLN 447 HB3 0.04 0.04 0.02 -0.04 2.02 2.09 1h4iC1 GLN 447 HG2 0.01 0.02 -0.00 -0.04 2.40 2.39 1h4iC1 GLN 447 HG3 0.02 0.06 -0.04 -0.04 2.39 2.40 1h4iC1 GLN 447 HE21 -0.03 0.04 -0.04 -0.04 6.97 6.90 1h4iC1 GLN 447 HE22 -0.01 0.06 -0.09 -0.04 7.69 7.60 1h4iC1 ASN 448 H 0.05 -0.03 -0.07 -0.55 8.53 7.94 1h4iC1 ASN 448 HA 0.11 0.18 0.56 -0.75 4.76 4.85 1h4iC1 ASN 448 HB2 0.04 -0.03 0.03 -0.04 2.88 2.88 1h4iC1 ASN 448 HB3 0.04 -0.04 0.04 -0.04 2.79 2.78 1h4iC1 ASN 448 HD21 0.06 0.01 -0.03 -0.04 7.03 7.03 1h4iC1 ASN 448 HD22 0.02 -0.04 -0.04 -0.04 7.74 7.63 1h4iC1 TYR 449 H 0.11 0.11 -0.37 -0.55 8.29 7.59 1h4iC1 TYR 449 HA 0.00 0.09 0.38 -0.75 4.56 4.28 1h4iC1 TYR 449 HB2 0.04 0.05 -0.28 -0.04 3.06 2.84 1h4iC1 TYR 449 HB3 0.03 -0.06 0.29 -0.04 2.98 3.20 1h4iC1 TYR 449 HD2 0.00 0.04 -0.08 -0.04 7.15 7.07 1h4iC1 TYR 449 HE2 0.04 0.04 0.02 -0.04 6.85 6.91 1h4iC1 GLU 450 H -0.03 0.24 0.10 -0.55 8.60 8.36 1h4iC1 GLU 450 HA -0.21 0.19 0.70 -0.75 4.29 4.22 1h4iC1 GLU 450 HB2 -0.06 -0.07 -0.05 -0.04 2.09 1.87 1h4iC1 GLU 450 HB3 -0.20 -0.09 0.11 -0.04 1.99 1.76 1h4iC1 GLU 450 HG2 -0.33 -0.02 0.09 -0.04 2.34 2.03 1h4iC1 GLU 450 HG3 0.03 0.23 -0.33 -0.04 2.34 2.23 1h4iC1 GLY 451 H -0.24 0.38 0.40 -0.55 8.43 8.42 1h4iC1 GLY 451 HA2 -0.09 0.12 0.40 -0.51 4.01 3.94 1h4iC1 GLY 451 HA3 -0.07 0.01 0.81 -0.51 4.01 4.25 1h4iC1 LEU 452 H -0.08 0.54 0.04 -0.55 8.37 8.33 1h4iC1 LEU 452 HA 0.03 0.33 0.81 -0.75 4.35 4.76 1h4iC1 LEU 452 HB2 0.14 -0.09 0.15 -0.04 1.64 1.80 1h4iC1 LEU 452 HB3 0.11 -0.12 0.12 -0.04 1.64 1.71 1h4iC1 LEU 452 HG -0.46 -0.02 -0.01 -0.04 1.64 1.11 1h4iC1 LEU 452 HD13 -0.18 0.02 -0.12 -0.04 0.93 0.61 1h4iC1 LEU 452 HD23 -0.08 0.02 -0.19 -0.04 0.89 0.61 1h4iC1 GLY 453 H 0.03 0.38 -0.24 -0.55 8.43 8.05 1h4iC1 GLY 453 HA2 0.09 0.13 0.71 -0.51 4.01 4.43 1h4iC1 GLY 453 HA3 0.13 0.19 0.12 -0.51 4.01 3.93 1h4iC1 GLN 454 H 0.03 0.62 0.27 -0.55 8.47 8.84 1h4iC1 GLN 454 HA -0.01 0.22 0.74 -0.75 4.36 4.55 1h4iC1 GLN 454 HB2 -0.10 -0.04 -0.13 -0.04 2.15 1.84 1h4iC1 GLN 454 HB3 -0.09 0.02 -0.01 -0.04 2.02 1.90 1h4iC1 GLN 454 HG2 -0.19 0.02 -0.12 -0.04 2.40 2.07 1h4iC1 GLN 454 HG3 -0.16 -0.08 -0.83 -0.04 2.39 1.28 1h4iC1 GLN 454 HE21 -0.25 -0.02 -0.16 -0.04 6.97 6.50 1h4iC1 GLN 454 HE22 -0.20 -0.01 -0.32 -0.04 7.69 7.12 1h4iC1 ILE 455 H 0.05 0.63 0.30 -0.55 8.25 8.68 1h4iC1 ILE 455 HA -0.02 0.30 0.81 -0.75 4.18 4.52 1h4iC1 ILE 455 HB -0.23 0.02 -0.02 -0.04 1.89 1.62 1h4iC1 ILE 455 HG12 0.29 -0.06 -0.26 -0.04 1.49 1.42 1h4iC1 ILE 455 HG13 -0.00 0.10 -0.10 -0.04 1.21 1.17 1h4iC1 ILE 455 HG23 0.15 -0.01 -0.06 -0.04 0.93 0.97 1h4iC1 ILE 455 HD13 -0.58 -0.01 -0.21 -0.04 0.88 0.04 1h4iC1 LYS 456 H -0.03 0.49 0.26 -0.55 8.42 8.58 1h4iC1 LYS 456 HA -0.21 0.24 1.00 -0.75 4.32 4.59 1h4iC1 LYS 456 HB2 -0.02 -0.02 -0.02 -0.04 1.87 1.77 1h4iC1 LYS 456 HB3 -0.02 0.08 0.08 -0.04 1.79 1.89 1h4iC1 LYS 456 HG2 -0.10 -0.06 -0.02 -0.04 1.46 1.24 1h4iC1 LYS 456 HG3 -0.11 -0.10 -0.33 -0.04 1.46 0.89 1h4iC1 LYS 456 HD2 -0.42 0.08 -0.04 -0.04 1.69 1.27 1h4iC1 LYS 456 HD3 -0.74 -0.01 -0.03 -0.04 1.68 0.86 1h4iC1 LYS 456 HE2 -0.22 -0.09 -0.06 -0.04 2.99 2.57 1h4iC1 LYS 456 HE3 -0.23 -0.03 -0.09 -0.04 2.99 2.59 1h4iC1 ALA 457 H -0.65 0.55 0.31 -0.55 8.40 8.06 1h4iC1 ALA 457 HA -0.47 0.30 0.88 -0.75 4.34 4.30 1h4iC1 ALA 457 HB3 -1.04 -0.04 0.02 -0.04 1.41 0.31 1h4iC1 TYR 458 H -0.11 0.65 0.37 -0.55 8.29 8.65 1h4iC1 TYR 458 HA -0.31 0.27 1.07 -0.75 4.56 4.83 1h4iC1 TYR 458 HB2 -0.12 0.03 -0.27 -0.04 3.06 2.66 1h4iC1 TYR 458 HB3 -0.04 -0.01 -0.00 -0.04 2.98 2.88 1h4iC1 TYR 458 HD2 -0.85 -0.01 -0.33 -0.04 7.15 5.93 1h4iC1 TYR 458 HE2 -0.36 0.03 -0.23 -0.04 6.85 6.26 1h4iC1 ASN 459 H -0.62 0.65 0.22 -0.55 8.53 8.23 1h4iC1 ASN 459 HA -0.24 0.33 1.04 -0.75 4.76 5.14 1h4iC1 ASN 459 HB2 -0.21 0.13 0.09 -0.04 2.88 2.84 1h4iC1 ASN 459 HB3 -0.30 -0.16 0.21 -0.04 2.79 2.50 1h4iC1 ASN 459 HD21 -0.09 -0.04 0.08 -0.04 7.03 6.94 1h4iC1 ASN 459 HD22 -0.13 0.20 0.09 -0.04 7.74 7.86 1h4iC1 ALA 460 H -0.11 0.27 0.05 -0.55 8.40 8.07 1h4iC1 ALA 460 HA -0.58 0.15 0.35 -0.75 4.34 3.51 1h4iC1 ALA 460 HB3 -0.04 0.02 -0.06 -0.04 1.41 1.29 1h4iC1 ILE 461 H -0.15 0.06 -0.16 -0.55 8.25 7.44 1h4iC1 ILE 461 HA -0.09 0.16 0.52 -0.75 4.18 4.01 1h4iC1 ILE 461 HB -0.09 -0.02 0.05 -0.04 1.89 1.80 1h4iC1 ILE 461 HG12 -0.06 -0.07 -0.07 -0.04 1.49 1.25 1h4iC1 ILE 461 HG13 -0.05 0.25 -0.13 -0.04 1.21 1.24 1h4iC1 ILE 461 HG23 -0.06 0.04 -0.14 -0.04 0.93 0.72 1h4iC1 ILE 461 HD13 -0.06 -0.02 -0.29 -0.04 0.88 0.47 1h4iC1 THR 462 H -0.17 -0.00 -0.08 -0.55 8.28 7.48 1h4iC1 THR 462 HA -0.09 0.16 0.51 -0.75 4.39 4.23 1h4iC1 THR 462 HB -0.15 -0.07 0.08 -0.04 4.32 4.14 1h4iC1 THR 462 HG23 -0.07 0.02 -0.01 -0.04 1.22 1.12 1h4iC1 GLY 463 H -0.34 0.27 -0.29 -0.55 8.43 7.53 1h4iC1 GLY 463 HA2 -0.19 0.06 0.23 -0.51 4.01 3.60 1h4iC1 GLY 463 HA3 -0.06 0.08 0.46 -0.51 4.01 3.98 1h4iC1 ASP 464 H -0.24 -0.08 -0.26 -0.55 8.40 7.28 1h4iC1 ASP 464 HA -0.04 0.17 0.61 -0.75 4.63 4.62 1h4iC1 ASP 464 HB2 -0.05 0.05 -0.07 -0.04 2.71 2.60 1h4iC1 ASP 464 HB3 -0.11 -0.09 -0.01 -0.04 2.70 2.45 1h4iC1 TYR 465 H 0.16 0.19 0.11 -0.55 8.29 8.19 1h4iC1 TYR 465 HA 0.01 0.29 1.02 -0.75 4.56 5.12 1h4iC1 TYR 465 HB2 0.02 -0.05 0.13 -0.04 3.06 3.12 1h4iC1 TYR 465 HB3 -0.02 0.03 -0.03 -0.04 2.98 2.93 1h4iC1 TYR 465 HD2 0.01 -0.02 -0.14 -0.04 7.15 6.96 1h4iC1 TYR 465 HE2 -0.12 0.02 -0.12 -0.04 6.85 6.58 1h4iC1 LYS 466 H -0.07 0.37 0.17 -0.55 8.42 8.34 1h4iC1 LYS 466 HA 0.08 0.01 0.43 -0.75 4.32 4.09 1h4iC1 LYS 466 HB2 -0.03 -0.04 0.03 -0.04 1.87 1.79 1h4iC1 LYS 466 HB3 -0.14 -0.02 0.04 -0.04 1.79 1.64 1h4iC1 LYS 466 HG2 0.27 0.05 -0.00 -0.04 1.46 1.74 1h4iC1 LYS 466 HG3 0.30 0.05 0.02 -0.04 1.46 1.79 1h4iC1 LYS 466 HD2 0.05 -0.03 0.00 -0.04 1.69 1.67 1h4iC1 LYS 466 HD3 0.12 -0.02 0.04 -0.04 1.68 1.78 1h4iC1 LYS 466 HE2 0.06 -0.05 0.02 -0.04 2.99 2.98 1h4iC1 LYS 466 HE3 0.10 0.04 0.10 -0.04 2.99 3.19 1h4iC1 TRP 467 H -0.10 0.22 -0.02 -0.55 7.97 7.52 1h4iC1 TRP 467 HA 0.06 0.11 0.42 -0.75 4.62 4.46 1h4iC1 TRP 467 HB2 0.05 0.05 -0.02 -0.04 3.23 3.27 1h4iC1 TRP 467 HB3 0.06 0.18 0.01 -0.04 3.23 3.44 1h4iC1 TRP 467 HD1 0.10 0.25 -0.45 -0.04 7.22 7.08 1h4iC1 TRP 467 HE1 0.21 0.54 -0.38 -0.04 10.20 10.53 1h4iC1 TRP 467 HE3 0.06 0.08 -0.50 -0.04 7.59 7.18 1h4iC1 TRP 467 HZ2 0.00 -0.04 -0.23 -0.04 7.44 7.13 1h4iC1 TRP 467 HZ3 0.03 0.07 -0.30 -0.04 7.13 6.89 1h4iC1 TRP 467 HH2 0.01 -0.02 -0.26 -0.04 7.19 6.88 1h4iC1 GLU 468 H 0.30 0.32 0.19 -0.55 8.60 8.87 1h4iC1 GLU 468 HA 0.16 0.20 0.87 -0.75 4.29 4.77 1h4iC1 GLU 468 HB2 0.03 -0.02 0.05 -0.04 2.09 2.11 1h4iC1 GLU 468 HB3 -0.05 0.01 0.01 -0.04 1.99 1.92 1h4iC1 GLU 468 HG2 -0.17 0.05 -0.07 -0.04 2.34 2.12 1h4iC1 GLU 468 HG3 0.05 -0.07 -0.46 -0.04 2.34 1.82 1h4iC1 LYS 469 H 0.16 0.50 0.29 -0.55 8.42 8.82 1h4iC1 LYS 469 HA 0.06 0.10 0.84 -0.75 4.32 4.57 1h4iC1 LYS 469 HB2 0.18 -0.02 0.09 -0.04 1.87 2.08 1h4iC1 LYS 469 HB3 0.06 0.05 0.08 -0.04 1.79 1.93 1h4iC1 LYS 469 HG2 0.29 -0.10 -0.43 -0.04 1.46 1.18 1h4iC1 LYS 469 HG3 -0.07 0.15 -0.02 -0.04 1.46 1.48 1h4iC1 LYS 469 HD2 -0.01 -0.07 0.09 -0.04 1.69 1.67 1h4iC1 LYS 469 HD3 0.06 0.24 0.15 -0.04 1.68 2.08 1h4iC1 LYS 469 HE2 -0.18 0.06 -0.05 -0.04 2.99 2.78 1h4iC1 LYS 469 HE3 -0.17 0.06 -0.21 -0.04 2.99 2.64 1h4iC1 MET 470 H -0.01 0.12 0.15 -0.55 8.47 8.18 1h4iC1 MET 470 HA -0.05 0.20 0.76 -0.75 4.52 4.68 1h4iC1 MET 470 HB2 -0.04 -0.05 0.09 -0.04 2.15 2.10 1h4iC1 MET 470 HB3 -0.06 0.03 0.02 -0.04 2.03 1.98 1h4iC1 MET 470 HG2 -0.08 -0.08 -0.01 -0.04 2.63 2.42 1h4iC1 MET 470 HG3 -0.08 0.05 0.03 -0.04 2.56 2.52 1h4iC1 MET 470 HE3 -0.26 -0.03 -0.09 -0.04 2.10 1.67 1h4iC1 GLU 471 H -0.01 0.62 0.11 -0.55 8.60 8.77 1h4iC1 GLU 471 HA 0.02 0.15 0.73 -0.75 4.29 4.43 1h4iC1 GLU 471 HB2 0.09 -0.04 -0.33 -0.04 2.09 1.78 1h4iC1 GLU 471 HB3 0.14 -0.03 -0.09 -0.04 1.99 1.96 1h4iC1 GLU 471 HG2 0.12 0.08 -0.50 -0.04 2.34 2.00 1h4iC1 GLU 471 HG3 0.23 0.04 -0.23 -0.04 2.34 2.34 1h4iC1 ARG 472 H -0.05 0.19 0.10 -0.55 8.46 8.14 1h4iC1 ARG 472 HA -0.24 -0.00 0.48 -0.75 4.34 3.82 1h4iC1 ARG 472 HB2 -0.25 0.07 0.12 -0.04 1.90 1.80 1h4iC1 ARG 472 HB3 -0.25 -0.04 0.12 -0.04 1.80 1.59 1h4iC1 ARG 472 HG2 -1.87 0.01 -0.22 -0.04 1.67 -0.45 1h4iC1 ARG 472 HG3 -0.63 -0.04 0.07 -0.04 1.67 1.03 1h4iC1 ARG 472 HD2 -0.56 -0.02 -0.02 -0.04 3.22 2.58 1h4iC1 ARG 472 HD3 -1.24 0.08 -0.05 -0.04 3.22 1.97 1h4iC1 PHE 473 H 0.10 0.12 -0.13 -0.55 8.34 7.87 1h4iC1 PHE 473 HA 0.11 0.18 0.88 -0.75 4.62 5.04 1h4iC1 PHE 473 HB2 0.14 -0.13 -0.02 -0.04 3.15 3.09 1h4iC1 PHE 473 HB3 0.28 0.05 0.05 -0.04 3.06 3.40 1h4iC1 PHE 473 HD2 0.08 -0.06 -0.03 -0.04 7.28 7.24 1h4iC1 PHE 473 HE2 -0.14 0.08 -0.06 -0.04 7.38 7.22 1h4iC1 PHE 473 HZ 0.16 0.13 -0.34 -0.04 7.32 7.22 1h4iC1 ALA 474 H 0.58 0.12 0.00 -0.55 8.40 8.55 1h4iC1 ALA 474 HA 0.28 0.18 0.38 -0.75 4.34 4.43 1h4iC1 ALA 474 HB3 0.55 0.01 0.05 -0.04 1.41 1.97 1h4iC1 VAL 475 H 0.20 0.53 0.21 -0.55 8.24 8.64 1h4iC1 VAL 475 HA 0.32 0.08 0.83 -0.75 4.13 4.60 1h4iC1 VAL 475 HB 0.09 -0.06 0.29 -0.04 2.12 2.40 1h4iC1 VAL 475 HG13 0.18 0.02 0.07 -0.04 0.97 1.20 1h4iC1 VAL 475 HG23 0.16 -0.04 -0.03 -0.04 0.95 1.00 1h4iC1 TRP 476 H 0.50 0.29 -0.04 -0.55 7.97 8.18 1h4iC1 TRP 476 HA 0.15 -0.01 0.44 -0.75 4.62 4.46 1h4iC1 TRP 476 HB2 0.13 0.04 0.06 -0.04 3.23 3.41 1h4iC1 TRP 476 HB3 0.17 0.09 0.06 -0.04 3.23 3.51 1h4iC1 TRP 476 HD1 0.23 0.11 0.09 -0.04 7.22 7.61 1h4iC1 TRP 476 HE1 0.27 -0.09 0.10 -0.04 10.20 10.44 1h4iC1 TRP 476 HE3 0.14 0.00 -0.15 -0.04 7.59 7.54 1h4iC1 TRP 476 HZ2 0.47 -0.08 0.10 -0.04 7.44 7.90 1h4iC1 TRP 476 HZ3 0.14 0.07 -0.06 -0.04 7.13 7.25 1h4iC1 TRP 476 HH2 0.23 0.07 0.04 -0.04 7.19 7.49 1h4iC1 GLY 477 H 0.37 0.06 -0.03 -0.55 8.43 8.29 1h4iC1 GLY 477 HA2 0.42 0.09 -0.24 -0.51 4.01 3.76 1h4iC1 GLY 477 HA3 0.37 0.24 0.01 -0.51 4.01 4.12 1h4iC1 GLY 478 H 0.24 0.37 -0.34 -0.55 8.43 8.15 1h4iC1 GLY 478 HA2 0.18 -0.09 0.01 -0.51 4.01 3.60 1h4iC1 GLY 478 HA3 0.25 0.28 0.78 -0.51 4.01 4.81 1h4iC1 THR 479 H 0.23 0.69 0.32 -0.55 8.28 8.98 1h4iC1 THR 479 HA 0.33 0.27 0.94 -0.75 4.39 5.17 1h4iC1 THR 479 HB 0.25 -0.05 0.07 -0.04 4.32 4.55 1h4iC1 THR 479 HG23 0.30 -0.03 -0.12 -0.04 1.22 1.33 1h4iC1 MET 480 H 0.32 0.44 0.36 -0.55 8.47 9.04 1h4iC1 MET 480 HA 0.32 0.29 0.82 -0.75 4.52 5.20 1h4iC1 MET 480 HB2 0.30 0.23 -0.04 -0.04 2.15 2.60 1h4iC1 MET 480 HB3 0.27 -0.18 0.05 -0.04 2.03 2.13 1h4iC1 MET 480 HG2 0.29 0.15 0.06 -0.04 2.63 3.09 1h4iC1 MET 480 HG3 0.45 0.04 0.05 -0.04 2.56 3.06 1h4iC1 MET 480 HE3 0.12 -0.02 -0.34 -0.04 2.10 1.82 1h4iC1 ALA 481 H 0.31 0.71 0.45 -0.55 8.40 9.32 1h4iC1 ALA 481 HA 0.17 0.25 1.24 -0.75 4.34 5.24 1h4iC1 ALA 481 HB3 0.45 -0.01 -0.01 -0.04 1.41 1.80 1h4iC1 THR 482 H 0.07 0.47 0.40 -0.55 8.28 8.67 1h4iC1 THR 482 HA -0.53 0.26 1.09 -0.75 4.39 4.46 1h4iC1 THR 482 HB 0.09 -0.03 0.08 -0.04 4.32 4.42 1h4iC1 THR 482 HG23 -0.03 -0.21 0.02 -0.04 1.22 0.96 1h4iC1 ALA 483 H -0.29 0.62 0.29 -0.55 8.40 8.47 1h4iC1 ALA 483 HA 0.23 0.01 0.54 -0.75 4.34 4.37 1h4iC1 ALA 483 HB3 0.07 0.04 0.09 -0.04 1.41 1.57 1h4iC1 GLY 484 H -0.01 0.06 -0.67 -0.55 8.43 7.27 1h4iC1 GLY 484 HA2 0.00 0.17 0.73 -0.51 4.01 4.40 1h4iC1 GLY 484 HA3 -0.00 0.21 0.40 -0.51 4.01 4.10 1h4iC1 ASP 485 H 0.06 0.30 -0.26 -0.55 8.40 7.95 1h4iC1 ASP 485 HA 0.06 0.07 0.29 -0.75 4.63 4.30 1h4iC1 ASP 485 HB2 -0.01 0.08 0.11 -0.04 2.71 2.85 1h4iC1 ASP 485 HB3 0.02 -0.11 0.23 -0.04 2.70 2.80 1h4iC1 LEU 486 H -0.01 0.16 -0.04 -0.55 8.37 7.94 1h4iC1 LEU 486 HA -0.18 0.33 0.89 -0.75 4.35 4.64 1h4iC1 LEU 486 HB2 -0.05 -0.08 -0.16 -0.04 1.64 1.30 1h4iC1 LEU 486 HB3 -0.52 0.06 -0.28 -0.04 1.64 0.86 1h4iC1 LEU 486 HG -0.55 0.02 -0.23 -0.04 1.64 0.84 1h4iC1 LEU 486 HD13 -0.16 0.03 -0.31 -0.04 0.93 0.45 1h4iC1 LEU 486 HD23 -0.04 0.01 -0.42 -0.04 0.89 0.39 1h4iC1 VAL 487 H -0.24 0.49 0.26 -0.55 8.24 8.20 1h4iC1 VAL 487 HA -0.05 0.22 0.96 -0.75 4.13 4.51 1h4iC1 VAL 487 HB -0.02 -0.09 0.05 -0.04 2.12 2.02 1h4iC1 VAL 487 HG13 0.07 0.02 -0.21 -0.04 0.97 0.81 1h4iC1 VAL 487 HG23 -0.73 -0.01 -0.23 -0.04 0.95 -0.06 1h4iC1 PHE 488 H 0.34 0.78 0.36 -0.55 8.34 9.27 1h4iC1 PHE 488 HA 0.17 0.32 1.05 -0.75 4.62 5.40 1h4iC1 PHE 488 HB2 0.10 0.03 0.08 -0.04 3.15 3.31 1h4iC1 PHE 488 HB3 0.09 0.02 -0.04 -0.04 3.06 3.09 1h4iC1 PHE 488 HD2 0.02 0.09 -0.19 -0.04 7.28 7.15 1h4iC1 PHE 488 HE2 -0.27 -0.02 -0.23 -0.04 7.38 6.83 1h4iC1 PHE 488 HZ -0.25 -0.05 -0.22 -0.04 7.32 6.76 1h4iC1 TYR 489 H 0.20 0.50 0.34 -0.55 8.29 8.78 1h4iC1 TYR 489 HA 0.24 0.14 0.55 -0.75 4.56 4.74 1h4iC1 TYR 489 HB2 0.21 0.24 0.19 -0.04 3.06 3.66 1h4iC1 TYR 489 HB3 0.21 0.04 -0.01 -0.04 2.98 3.18 1h4iC1 TYR 489 HD2 0.16 0.09 -0.32 -0.04 7.15 7.04 1h4iC1 TYR 489 HE2 0.10 -0.05 -0.21 -0.04 6.85 6.65 1h4iC1 GLY 490 H 0.31 0.33 0.19 -0.55 8.43 8.72 1h4iC1 GLY 490 HA2 0.10 0.25 1.07 -0.51 4.01 4.93 1h4iC1 GLY 490 HA3 0.20 0.02 0.37 -0.51 4.01 4.09 1h4iC1 THR 491 H 0.16 0.46 0.39 -0.55 8.28 8.74 1h4iC1 THR 491 HA 0.28 0.33 0.99 -0.75 4.39 5.23 1h4iC1 THR 491 HB 0.26 -0.13 0.08 -0.04 4.32 4.49 1h4iC1 THR 491 HG23 0.17 0.05 -0.23 -0.04 1.22 1.17 1h4iC1 LEU 492 H 0.24 0.26 0.15 -0.55 8.37 8.47 1h4iC1 LEU 492 HA 0.05 0.07 0.44 -0.75 4.35 4.16 1h4iC1 LEU 492 HB2 0.11 -0.05 0.06 -0.04 1.64 1.72 1h4iC1 LEU 492 HB3 -0.21 0.02 0.01 -0.04 1.64 1.42 1h4iC1 LEU 492 HG 0.17 0.18 0.11 -0.04 1.64 2.06 1h4iC1 LEU 492 HD13 -0.14 -0.04 0.02 -0.04 0.93 0.73 1h4iC1 LEU 492 HD23 -0.12 0.01 -0.05 -0.04 0.89 0.69 1h4iC1 ASP 493 H 0.24 0.01 -0.25 -0.55 8.40 7.85 1h4iC1 ASP 493 HA 0.08 0.24 0.63 -0.75 4.63 4.83 1h4iC1 ASP 493 HB2 0.18 0.14 0.12 -0.04 2.71 3.10 1h4iC1 ASP 493 HB3 0.37 0.00 -0.00 -0.04 2.70 3.02 1h4iC1 GLY 494 H 0.04 0.14 -0.59 -0.55 8.43 7.48 1h4iC1 GLY 494 HA2 -0.04 0.13 -0.17 -0.51 4.01 3.41 1h4iC1 GLY 494 HA3 -0.21 0.28 0.36 -0.51 4.01 3.92 1h4iC1 TYR 495 H 0.12 -0.02 0.09 -0.55 8.29 7.94 1h4iC1 TYR 495 HA -0.02 0.44 1.14 -0.75 4.56 5.37 1h4iC1 TYR 495 HB2 -0.07 -0.12 -0.11 -0.04 3.06 2.72 1h4iC1 TYR 495 HB3 -0.15 0.02 -0.07 -0.04 2.98 2.74 1h4iC1 TYR 495 HD2 -0.10 -0.12 -0.38 -0.04 7.15 6.50 1h4iC1 TYR 495 HE2 -0.08 -0.03 -0.12 -0.04 6.85 6.58 1h4iC1 LEU 496 H 0.09 0.44 0.30 -0.55 8.37 8.65 1h4iC1 LEU 496 HA 0.08 0.20 0.78 -0.75 4.35 4.65 1h4iC1 LEU 496 HB2 0.15 0.03 -0.00 -0.04 1.64 1.77 1h4iC1 LEU 496 HB3 0.04 -0.04 0.10 -0.04 1.64 1.70 1h4iC1 LEU 496 HG 0.43 0.01 -0.33 -0.04 1.64 1.71 1h4iC1 LEU 496 HD13 0.18 0.04 -0.15 -0.04 0.93 0.97 1h4iC1 LEU 496 HD23 -0.24 -0.01 -0.20 -0.04 0.89 0.40 1h4iC1 LYS 497 H -0.19 0.80 0.29 -0.55 8.42 8.76 1h4iC1 LYS 497 HA -0.08 0.23 1.00 -0.75 4.32 4.72 1h4iC1 LYS 497 HB2 -0.85 0.02 -0.01 -0.04 1.87 0.99 1h4iC1 LYS 497 HB3 -0.19 0.02 0.07 -0.04 1.79 1.65 1h4iC1 LYS 497 HG2 -0.26 0.01 -0.10 -0.04 1.46 1.07 1h4iC1 LYS 497 HG3 -0.25 -0.05 -0.29 -0.04 1.46 0.82 1h4iC1 LYS 497 HD2 -0.16 0.02 -0.11 -0.04 1.69 1.40 1h4iC1 LYS 497 HD3 -0.16 0.02 -0.06 -0.04 1.68 1.44 1h4iC1 LYS 497 HE2 -0.44 0.02 -0.11 -0.04 2.99 2.43 1h4iC1 LYS 497 HE3 -0.05 -0.07 -0.13 -0.04 2.99 2.69 1h4iC1 ALA 498 H 0.11 0.56 0.26 -0.55 8.40 8.78 1h4iC1 ALA 498 HA -0.30 0.32 0.81 -0.75 4.34 4.42 1h4iC1 ALA 498 HB3 -0.29 -0.02 -0.08 -0.04 1.41 0.98 1h4iC1 ARG 499 H -0.10 0.61 0.27 -0.55 8.46 8.70 1h4iC1 ARG 499 HA -0.12 0.24 0.94 -0.75 4.34 4.65 1h4iC1 ARG 499 HB2 -0.05 -0.03 -0.11 -0.04 1.90 1.67 1h4iC1 ARG 499 HB3 -0.31 0.05 -0.22 -0.04 1.80 1.27 1h4iC1 ARG 499 HG2 0.06 -0.03 -0.28 -0.04 1.67 1.38 1h4iC1 ARG 499 HG3 0.38 0.03 -0.25 -0.04 1.67 1.79 1h4iC1 ARG 499 HD2 0.41 -0.03 -0.16 -0.04 3.22 3.40 1h4iC1 ARG 499 HD3 0.15 -0.02 -0.16 -0.04 3.22 3.15 1h4iC1 ASP 500 H -0.24 0.55 0.12 -0.55 8.40 8.28 1h4iC1 ASP 500 HA -0.12 0.25 0.70 -0.75 4.63 4.70 1h4iC1 ASP 500 HB2 -0.15 0.16 0.15 -0.04 2.71 2.84 1h4iC1 ASP 500 HB3 -0.25 -0.29 0.25 -0.04 2.70 2.36 1h4iC1 SER 501 H -0.04 0.62 0.17 -0.55 8.46 8.66 1h4iC1 SER 501 HA 0.16 0.09 0.19 -0.75 4.49 4.18 1h4iC1 SER 501 HB2 0.12 -0.04 -0.03 -0.04 3.95 3.95 1h4iC1 SER 501 HB3 0.29 0.02 -0.09 -0.04 3.93 4.10 1h4iC1 ASP 502 H 0.08 0.00 -0.28 -0.55 8.40 7.66 1h4iC1 ASP 502 HA 0.32 0.21 0.65 -0.75 4.63 5.05 1h4iC1 ASP 502 HB2 0.05 -0.06 0.05 -0.04 2.71 2.71 1h4iC1 ASP 502 HB3 0.09 0.06 0.01 -0.04 2.70 2.83 1h4iC1 THR 503 H -0.17 -0.07 -0.11 -0.55 8.28 7.37 1h4iC1 THR 503 HA -0.09 0.36 0.98 -0.75 4.39 4.89 1h4iC1 THR 503 HB -0.15 0.06 0.05 -0.04 4.32 4.24 1h4iC1 THR 503 HG23 -0.04 0.00 -0.11 -0.04 1.22 1.03 1h4iC1 GLY 504 H -0.92 0.62 0.10 -0.55 8.43 7.68 1h4iC1 GLY 504 HA2 -2.12 0.04 0.18 -0.51 4.01 1.60 1h4iC1 GLY 504 HA3 -1.77 0.15 0.45 -0.51 4.01 2.33 1h4iC1 ASP 505 H -0.40 -0.06 -0.23 -0.55 8.40 7.16 1h4iC1 ASP 505 HA -0.19 0.11 0.42 -0.75 4.63 4.22 1h4iC1 ASP 505 HB2 -0.17 -0.14 0.08 -0.04 2.71 2.45 1h4iC1 ASP 505 HB3 -0.11 0.14 -0.08 -0.04 2.70 2.60 1h4iC1 LEU 506 H -0.11 0.14 0.19 -0.55 8.37 8.05 1h4iC1 LEU 506 HA -0.07 0.10 0.64 -0.75 4.35 4.27 1h4iC1 LEU 506 HB2 -0.06 0.04 0.13 -0.04 1.64 1.70 1h4iC1 LEU 506 HB3 -0.07 -0.02 0.15 -0.04 1.64 1.66 1h4iC1 LEU 506 HG -0.08 -0.03 -0.24 -0.04 1.64 1.26 1h4iC1 LEU 506 HD13 -0.05 0.05 0.03 -0.04 0.93 0.91 1h4iC1 LEU 506 HD23 -0.13 -0.00 -0.06 -0.04 0.89 0.65 1h4iC1 LEU 507 H -0.03 0.58 0.42 -0.55 8.37 8.79 1h4iC1 LEU 507 HA -0.01 0.19 0.93 -0.75 4.35 4.71 1h4iC1 LEU 507 HB2 -0.02 0.04 -0.04 -0.04 1.64 1.58 1h4iC1 LEU 507 HB3 0.00 -0.03 0.04 -0.04 1.64 1.60 1h4iC1 LEU 507 HG -0.10 0.05 -0.12 -0.04 1.64 1.43 1h4iC1 LEU 507 HD13 -0.08 -0.00 -0.05 -0.04 0.93 0.75 1h4iC1 LEU 507 HD23 -0.06 0.01 -0.16 -0.04 0.89 0.64 1h4iC1 TRP 508 H 0.10 0.30 0.22 -0.55 7.97 8.05 1h4iC1 TRP 508 HA -0.04 0.11 0.54 -0.75 4.62 4.47 1h4iC1 TRP 508 HB2 -0.04 0.12 -0.32 -0.04 3.23 2.95 1h4iC1 TRP 508 HB3 -0.08 -0.13 -0.23 -0.04 3.23 2.75 1h4iC1 TRP 508 HD1 0.03 -0.03 0.09 -0.04 7.22 7.26 1h4iC1 TRP 508 HE1 0.13 0.25 0.03 -0.04 10.20 10.57 1h4iC1 TRP 508 HE3 -0.07 -0.17 -0.45 -0.04 7.59 6.86 1h4iC1 TRP 508 HZ2 0.04 0.09 -0.24 -0.04 7.44 7.29 1h4iC1 TRP 508 HZ3 -0.09 -0.05 -0.45 -0.04 7.13 6.50 1h4iC1 TRP 508 HH2 -1.08 -0.04 -0.23 -0.04 7.19 5.80 1h4iC1 LYS 509 H -0.79 0.36 0.22 -0.55 8.42 7.65 1h4iC1 LYS 509 HA -0.72 0.29 0.55 -0.75 4.32 3.69 1h4iC1 LYS 509 HB2 -0.37 0.00 0.11 -0.04 1.87 1.57 1h4iC1 LYS 509 HB3 -0.33 -0.01 -0.02 -0.04 1.79 1.39 1h4iC1 LYS 509 HG2 -0.35 -0.04 -0.07 -0.04 1.46 0.95 1h4iC1 LYS 509 HG3 -0.37 0.02 -0.23 -0.04 1.46 0.84 1h4iC1 LYS 509 HD2 -1.29 0.00 -0.12 -0.04 1.69 0.25 1h4iC1 LYS 509 HD3 -0.50 -0.03 -0.09 -0.04 1.68 1.02 1h4iC1 LYS 509 HE2 -0.31 -0.01 -0.08 -0.04 2.99 2.55 1h4iC1 LYS 509 HE3 -0.38 0.02 -0.10 -0.04 2.99 2.49 1h4iC1 PHE 510 H -0.39 0.43 0.28 -0.55 8.34 8.11 1h4iC1 PHE 510 HA -0.29 0.14 0.68 -0.75 4.62 4.40 1h4iC1 PHE 510 HB2 -0.56 0.08 -0.10 -0.04 3.15 2.53 1h4iC1 PHE 510 HB3 -0.09 -0.07 0.02 -0.04 3.06 2.88 1h4iC1 PHE 510 HD2 0.22 -0.00 -0.24 -0.04 7.28 7.21 1h4iC1 PHE 510 HE2 0.06 0.01 -0.06 -0.04 7.38 7.36 1h4iC1 PHE 510 HZ 0.02 -0.02 -0.01 -0.04 7.32 7.27 1h4iC1 LYS 511 H -0.75 0.15 0.07 -0.55 8.42 7.33 1h4iC1 LYS 511 HA -0.38 0.24 0.69 -0.75 4.32 4.12 1h4iC1 LYS 511 HB2 -0.20 -0.07 0.10 -0.04 1.87 1.66 1h4iC1 LYS 511 HB3 -0.43 -0.06 0.19 -0.04 1.79 1.46 1h4iC1 LYS 511 HG2 -0.20 -0.08 0.01 -0.04 1.46 1.15 1h4iC1 LYS 511 HG3 -0.24 0.06 -0.14 -0.04 1.46 1.09 1h4iC1 LYS 511 HD2 -0.67 0.26 0.12 -0.04 1.69 1.35 1h4iC1 LYS 511 HD3 -0.51 -0.14 0.01 -0.04 1.68 1.00 1h4iC1 LYS 511 HE2 -0.32 0.13 0.08 -0.04 2.99 2.84 1h4iC1 LYS 511 HE3 -0.18 -0.12 0.01 -0.04 2.99 2.66 1h4iC1 ILE 512 H -0.06 0.40 0.27 -0.55 8.25 8.31 1h4iC1 ILE 512 HA 0.15 0.05 0.47 -0.75 4.18 4.10 1h4iC1 ILE 512 HB 0.06 -0.05 -0.05 -0.04 1.89 1.82 1h4iC1 ILE 512 HG12 0.07 0.00 -0.43 -0.04 1.49 1.09 1h4iC1 ILE 512 HG13 0.01 0.10 -0.32 -0.04 1.21 0.95 1h4iC1 ILE 512 HG23 0.42 0.00 -0.16 -0.04 0.93 1.15 1h4iC1 ILE 512 HD13 0.18 -0.05 -0.22 -0.04 0.88 0.75 1h4iC1 PRO 513 HA -0.19 0.11 0.36 -0.51 4.44 4.21 1h4iC1 PRO 513 HB2 -0.76 -0.09 -0.06 -0.04 2.28 1.33 1h4iC1 PRO 513 HB3 -0.32 0.03 -0.01 -0.04 2.02 1.68 1h4iC1 PRO 513 HG2 -1.21 -0.01 -0.03 -0.04 2.03 0.74 1h4iC1 PRO 513 HG3 -0.37 0.07 0.02 -0.04 2.03 1.71 1h4iC1 PRO 513 HD2 -0.79 0.05 0.04 -0.04 3.68 2.95 1h4iC1 PRO 513 HD3 -0.25 0.12 0.14 -0.04 3.65 3.61 1h4iC1 SER 514 H -0.04 0.09 -0.10 -0.55 8.46 7.87 1h4iC1 SER 514 HA -0.03 0.26 0.66 -0.75 4.49 4.62 1h4iC1 SER 514 HB2 0.06 -0.27 0.07 -0.04 3.95 3.77 1h4iC1 SER 514 HB3 0.02 0.61 0.17 -0.04 3.93 4.68 1h4iC1 GLY 515 H 0.01 0.14 0.08 -0.55 8.43 8.11 1h4iC1 GLY 515 HA2 0.05 -0.05 0.38 -0.51 4.01 3.89 1h4iC1 GLY 515 HA3 0.03 0.17 0.34 -0.51 4.01 4.04 1h4iC1 ALA 516 H 0.14 0.58 0.12 -0.55 8.40 8.70 1h4iC1 ALA 516 HA 0.19 0.14 0.69 -0.75 4.34 4.61 1h4iC1 ALA 516 HB3 0.20 0.01 0.03 -0.04 1.41 1.61 1h4iC1 ILE 517 H 0.25 0.30 -0.02 -0.55 8.25 8.22 1h4iC1 ILE 517 HA 0.39 0.15 0.62 -0.75 4.18 4.59 1h4iC1 ILE 517 HB 0.49 -0.10 0.07 -0.04 1.89 2.32 1h4iC1 ILE 517 HG12 0.20 0.16 -0.23 -0.04 1.49 1.57 1h4iC1 ILE 517 HG13 0.29 0.18 -0.54 -0.04 1.21 1.09 1h4iC1 ILE 517 HG23 0.08 -0.00 -0.23 -0.04 0.93 0.74 1h4iC1 ILE 517 HD13 0.18 -0.10 -0.36 -0.04 0.88 0.56 1h4iC1 GLY 518 H 0.29 0.04 0.05 -0.55 8.43 8.26 1h4iC1 GLY 518 HA2 0.40 -0.04 0.95 -0.51 4.01 4.81 1h4iC1 GLY 518 HA3 0.27 0.32 0.40 -0.51 4.01 4.49 1h4iC1 TYR 519 H -0.14 0.22 0.19 -0.55 8.29 8.01 1h4iC1 TYR 519 HA 0.18 0.15 0.82 -0.75 4.56 4.96 1h4iC1 TYR 519 HB2 0.14 0.12 0.08 -0.04 3.06 3.36 1h4iC1 TYR 519 HB3 0.16 0.20 0.20 -0.04 2.98 3.50 1h4iC1 TYR 519 HD2 0.09 0.17 0.06 -0.04 7.15 7.42 1h4iC1 TYR 519 HE2 0.21 -0.03 0.11 -0.04 6.85 7.10 1h4iC1 PRO 520 HA -0.11 0.24 0.69 -0.51 4.44 4.74 1h4iC1 PRO 520 HB2 0.02 -0.03 -0.13 -0.04 2.28 2.10 1h4iC1 PRO 520 HB3 -0.00 -0.02 -0.03 -0.04 2.02 1.92 1h4iC1 PRO 520 HG2 0.30 0.10 -0.37 -0.04 2.03 2.01 1h4iC1 PRO 520 HG3 0.22 -0.07 -0.18 -0.04 2.03 1.96 1h4iC1 PRO 520 HD2 0.33 0.16 -0.09 -0.04 3.68 4.03 1h4iC1 PRO 520 HD3 0.31 0.16 0.05 -0.04 3.65 4.13 1h4iC1 MET 521 H -0.31 0.51 0.41 -0.55 8.47 8.53 1h4iC1 MET 521 HA -0.88 0.12 0.72 -0.75 4.52 3.73 1h4iC1 MET 521 HB2 -1.94 -0.01 0.14 -0.04 2.15 0.31 1h4iC1 MET 521 HB3 -1.58 0.08 0.00 -0.04 2.03 0.49 1h4iC1 MET 521 HG2 -0.73 0.06 -0.01 -0.04 2.63 1.91 1h4iC1 MET 521 HG3 -0.49 0.06 0.09 -0.04 2.56 2.18 1h4iC1 MET 521 HE3 0.10 -0.07 -0.42 -0.04 2.10 1.66 1h4iC1 THR 522 H -0.11 0.27 0.24 -0.55 8.28 8.14 1h4iC1 THR 522 HA -0.06 0.34 0.97 -0.75 4.39 4.88 1h4iC1 THR 522 HB -0.14 -0.01 -0.25 -0.04 4.32 3.88 1h4iC1 THR 522 HG23 0.14 -0.02 -0.07 -0.04 1.22 1.23 1h4iC1 TYR 523 H -0.15 0.49 0.40 -0.55 8.29 8.48 1h4iC1 TYR 523 HA 0.14 0.24 0.41 -0.75 4.56 4.60 1h4iC1 TYR 523 HB2 0.14 0.06 0.02 -0.04 3.06 3.24 1h4iC1 TYR 523 HB3 0.16 0.15 -0.07 -0.04 2.98 3.19 1h4iC1 TYR 523 HD2 0.07 0.09 -0.48 -0.04 7.15 6.79 1h4iC1 TYR 523 HE2 -0.08 -0.02 -0.27 -0.04 6.85 6.44 1h4iC1 THR 524 H 0.27 0.44 0.29 -0.55 8.28 8.73 1h4iC1 THR 524 HA 0.00 0.32 0.87 -0.75 4.39 4.83 1h4iC1 THR 524 HB 0.09 -0.01 -0.16 -0.04 4.32 4.20 1h4iC1 THR 524 HG23 0.04 -0.01 -0.28 -0.04 1.22 0.92 1h4iC1 HIS 525 H 0.23 0.28 0.19 -0.55 8.41 8.56 1h4iC1 HIS 525 HA 0.21 0.32 1.16 -0.75 4.63 5.58 1h4iC1 HIS 525 HB2 0.40 0.07 -0.10 -0.04 3.26 3.59 1h4iC1 HIS 525 HB3 0.39 -0.05 0.07 -0.04 3.20 3.58 1h4iC1 HIS 525 HD2 0.09 0.01 -0.13 -0.04 6.97 6.90 1h4iC1 HIS 525 HE1 -0.00 -0.02 -0.06 -0.04 7.75 7.62 1h4iC1 LYS 526 H 0.09 0.07 0.02 -0.55 8.42 8.04 1h4iC1 LYS 526 HA -0.14 0.25 0.83 -0.75 4.32 4.51 1h4iC1 LYS 526 HB2 -0.08 0.00 0.07 -0.04 1.87 1.82 1h4iC1 LYS 526 HB3 -0.09 0.02 0.19 -0.04 1.79 1.87 1h4iC1 LYS 526 HG2 -0.28 0.06 0.06 -0.04 1.46 1.25 1h4iC1 LYS 526 HG3 -0.99 -0.02 -0.39 -0.04 1.46 0.01 1h4iC1 LYS 526 HD2 -0.09 0.02 -0.04 -0.04 1.69 1.54 1h4iC1 LYS 526 HD3 -0.09 -0.01 0.01 -0.04 1.68 1.54 1h4iC1 LYS 526 HE2 -0.11 -0.01 -0.01 -0.04 2.99 2.83 1h4iC1 LYS 526 HE3 -0.24 0.01 -0.06 -0.04 2.99 2.67 1h4iC1 GLY 527 H -0.01 0.14 -0.21 -0.55 8.43 7.80 1h4iC1 GLY 527 HA2 -0.02 0.02 0.27 -0.51 4.01 3.76 1h4iC1 GLY 527 HA3 -0.03 0.24 0.64 -0.51 4.01 4.34 1h4iC1 THR 528 H -0.02 -0.13 -0.20 -0.55 8.28 7.38 1h4iC1 THR 528 HA -0.16 0.24 1.10 -0.75 4.39 4.83 1h4iC1 THR 528 HB -0.32 0.08 0.01 -0.04 4.32 4.06 1h4iC1 THR 528 HG23 -0.06 0.03 -0.19 -0.04 1.22 0.96 1h4iC1 GLN 529 H -0.25 0.13 0.16 -0.55 8.47 7.96 1h4iC1 GLN 529 HA -0.23 0.31 0.85 -0.75 4.36 4.54 1h4iC1 GLN 529 HB2 -0.13 -0.09 0.05 -0.04 2.15 1.95 1h4iC1 GLN 529 HB3 -0.19 -0.07 0.13 -0.04 2.02 1.85 1h4iC1 GLN 529 HG2 -0.20 0.11 -0.29 -0.04 2.40 1.98 1h4iC1 GLN 529 HG3 -0.13 0.09 -0.02 -0.04 2.39 2.29 1h4iC1 GLN 529 HE21 -0.07 0.07 -0.15 -0.04 6.97 6.78 1h4iC1 GLN 529 HE22 -0.13 0.12 -0.13 -0.04 7.69 7.51 1h4iC1 TYR 530 H -0.39 0.69 0.41 -0.55 8.29 8.45 1h4iC1 TYR 530 HA -0.24 0.37 1.08 -0.75 4.56 5.01 1h4iC1 TYR 530 HB2 -1.24 -0.05 -0.04 -0.04 3.06 1.69 1h4iC1 TYR 530 HB3 -0.35 0.04 -0.06 -0.04 2.98 2.57 1h4iC1 TYR 530 HD2 -0.29 0.06 -0.21 -0.04 7.15 6.67 1h4iC1 TYR 530 HE2 0.11 0.01 -0.06 -0.04 6.85 6.86 1h4iC1 VAL 531 H -0.08 0.48 0.24 -0.55 8.24 8.32 1h4iC1 VAL 531 HA -0.23 0.31 1.02 -0.75 4.13 4.48 1h4iC1 VAL 531 HB -0.28 -0.08 0.03 -0.04 2.12 1.74 1h4iC1 VAL 531 HG13 -0.49 0.02 -0.16 -0.04 0.97 0.30 1h4iC1 VAL 531 HG23 -0.62 -0.02 -0.20 -0.04 0.95 0.07 1h4iC1 ALA 532 H -0.16 0.61 0.29 -0.55 8.40 8.60 1h4iC1 ALA 532 HA -0.05 0.31 1.16 -0.75 4.34 5.00 1h4iC1 ALA 532 HB3 -0.15 -0.01 -0.08 -0.04 1.41 1.12 1h4iC1 ILE 533 H -0.02 0.53 0.31 -0.55 8.25 8.53 1h4iC1 ILE 533 HA -0.17 0.17 0.52 -0.75 4.18 3.96 1h4iC1 ILE 533 HB 0.04 -0.02 -0.19 -0.04 1.89 1.68 1h4iC1 ILE 533 HG12 0.13 0.27 -0.01 -0.04 1.49 1.84 1h4iC1 ILE 533 HG13 0.02 0.09 -0.19 -0.04 1.21 1.09 1h4iC1 ILE 533 HG23 0.23 -0.00 -0.16 -0.04 0.93 0.96 1h4iC1 ILE 533 HD13 0.16 -0.02 -0.12 -0.04 0.88 0.86 1h4iC1 TYR 534 H -0.02 0.20 0.11 -0.55 8.29 8.03 1h4iC1 TYR 534 HA -0.07 0.24 0.98 -0.75 4.56 4.96 1h4iC1 TYR 534 HB2 0.05 -0.02 0.06 -0.04 3.06 3.10 1h4iC1 TYR 534 HB3 0.01 0.05 0.03 -0.04 2.98 3.04 1h4iC1 TYR 534 HD2 -0.02 0.09 -0.27 -0.04 7.15 6.91 1h4iC1 TYR 534 HE2 0.00 0.01 -0.21 -0.04 6.85 6.60 1h4iC1 TYR 535 H -0.30 0.49 0.30 -0.55 8.29 8.23 1h4iC1 TYR 535 HA 0.08 0.21 0.54 -0.75 4.56 4.63 1h4iC1 TYR 535 HB2 0.01 -0.13 -0.06 -0.04 3.06 2.84 1h4iC1 TYR 535 HB3 0.06 0.06 -0.16 -0.04 2.98 2.90 1h4iC1 TYR 535 HD2 -0.02 0.02 -0.34 -0.04 7.15 6.77 1h4iC1 TYR 535 HE2 -0.06 0.01 -0.26 -0.04 6.85 6.49 1h4iC1 GLY 536 H 0.15 0.50 -0.22 -0.55 8.43 8.31 1h4iC1 GLY 536 HA2 0.04 -0.16 0.12 -0.51 4.01 3.50 1h4iC1 GLY 536 HA3 -0.09 0.29 0.63 -0.51 4.01 4.33 1h4iC1 VAL 537 H 0.04 0.06 0.06 -0.55 8.24 7.85 1h4iC1 VAL 537 HA 0.04 0.07 0.24 -0.75 4.13 3.73 1h4iC1 VAL 537 HB -0.00 -0.13 0.12 -0.04 2.12 2.07 1h4iC1 VAL 537 HG13 -0.04 0.01 -0.26 -0.04 0.97 0.64 1h4iC1 VAL 537 HG23 -0.09 0.02 -0.04 -0.04 0.95 0.80 1h4iC1 GLY 538 H -0.05 0.28 0.05 -0.55 8.43 8.16 1h4iC1 GLY 538 HA2 -0.06 0.07 0.21 -0.51 4.01 3.72 1h4iC1 GLY 538 HA3 0.01 -0.02 0.54 -0.51 4.01 4.03 1h4iC1 GLY 539 H 0.07 0.04 0.12 -0.55 8.43 8.12 1h4iC1 GLY 539 HA2 0.16 -0.00 0.35 -0.51 4.01 4.01 1h4iC1 GLY 539 HA3 0.16 0.17 0.54 -0.51 4.01 4.37 1h4iC1 TRP 540 H 0.38 0.16 0.18 -0.55 7.97 8.15 1h4iC1 TRP 540 HA 0.01 0.06 0.40 -0.75 4.62 4.34 1h4iC1 TRP 540 HB2 0.27 -0.05 0.16 -0.04 3.23 3.57 1h4iC1 TRP 540 HB3 0.09 0.08 0.11 -0.04 3.23 3.46 1h4iC1 TRP 540 HD1 0.05 -0.09 0.12 -0.04 7.22 7.26 1h4iC1 TRP 540 HE1 0.14 0.36 0.04 -0.04 10.20 10.70 1h4iC1 TRP 540 HE3 0.53 -0.04 0.03 -0.04 7.59 8.08 1h4iC1 TRP 540 HZ2 0.42 0.16 0.02 -0.04 7.44 8.00 1h4iC1 TRP 540 HZ3 0.35 0.23 -0.08 -0.04 7.13 7.60 1h4iC1 TRP 540 HH2 0.35 0.03 -0.16 -0.04 7.19 7.37 1h4iC1 PRO 541 HA -0.88 0.14 0.45 -0.51 4.44 3.64 1h4iC1 PRO 541 HB2 -1.40 0.04 0.02 -0.04 2.28 0.90 1h4iC1 PRO 541 HB3 -1.82 0.04 0.09 -0.04 2.02 0.30 1h4iC1 PRO 541 HG2 -0.89 0.17 0.07 -0.04 2.03 1.33 1h4iC1 PRO 541 HG3 -2.07 0.03 0.07 -0.04 2.03 0.02 1h4iC1 PRO 541 HD2 -0.68 -0.07 0.12 -0.04 3.68 3.01 1h4iC1 PRO 541 HD3 -1.92 0.13 0.15 -0.04 3.65 1.97 1h4iC1 GLY 542 H -0.27 0.32 -0.64 -0.55 8.43 7.29 1h4iC1 GLY 542 HA2 -0.17 0.18 0.53 -0.51 4.01 4.04 1h4iC1 GLY 542 HA3 -0.15 -0.02 0.17 -0.51 4.01 3.50 1h4iC1 VAL 543 H 0.03 0.47 -0.46 -0.55 8.24 7.73 1h4iC1 VAL 543 HA 0.18 0.00 0.26 -0.75 4.13 3.82 1h4iC1 VAL 543 HB 0.26 0.09 0.07 -0.04 2.12 2.49 1h4iC1 VAL 543 HG13 0.24 0.03 -0.07 -0.04 0.97 1.13 1h4iC1 VAL 543 HG23 0.33 0.00 -0.06 -0.04 0.95 1.18 1h4iC1 GLY 544 H 0.06 0.22 -0.34 -0.55 8.43 7.82 1h4iC1 GLY 544 HA2 0.10 0.01 0.33 -0.51 4.01 3.93 1h4iC1 GLY 544 HA3 0.07 0.16 0.20 -0.51 4.01 3.93 1h4iC1 LEU 545 H -0.01 0.10 -0.20 -0.55 8.37 7.72 1h4iC1 LEU 545 HA -0.01 0.10 0.39 -0.75 4.35 4.07 1h4iC1 LEU 545 HB2 -0.03 0.00 0.07 -0.04 1.64 1.64 1h4iC1 LEU 545 HB3 -0.06 0.03 0.10 -0.04 1.64 1.67 1h4iC1 LEU 545 HG -0.06 -0.06 -0.17 -0.04 1.64 1.32 1h4iC1 LEU 545 HD13 -0.03 0.00 0.09 -0.04 0.93 0.96 1h4iC1 LEU 545 HD23 -0.05 -0.01 -0.19 -0.04 0.89 0.60 1h4iC1 VAL 546 H -0.09 0.68 -0.05 -0.55 8.24 8.23 1h4iC1 VAL 546 HA -0.22 0.01 0.35 -0.75 4.13 3.51 1h4iC1 VAL 546 HB -0.31 0.02 0.05 -0.04 2.12 1.84 1h4iC1 VAL 546 HG13 -1.02 -0.03 -0.06 -0.04 0.97 -0.18 1h4iC1 VAL 546 HG23 -0.14 -0.04 0.04 -0.04 0.95 0.76 1h4iC1 PHE 547 H 0.01 0.50 -0.27 -0.55 8.34 8.03 1h4iC1 PHE 547 HA 0.00 0.22 0.93 -0.75 4.62 5.02 1h4iC1 PHE 547 HB2 -0.00 0.08 0.05 -0.04 3.15 3.23 1h4iC1 PHE 547 HB3 -0.01 -0.03 0.12 -0.04 3.06 3.10 1h4iC1 PHE 547 HD2 0.00 0.05 0.01 -0.04 7.28 7.31 1h4iC1 PHE 547 HE2 0.00 -0.05 -0.06 -0.04 7.38 7.23 1h4iC1 PHE 547 HZ -0.01 -0.09 0.00 -0.04 7.32 7.19 1h4iC1 ASP 548 H 0.01 0.24 -0.44 -0.55 8.40 7.67 1h4iC1 ASP 548 HA 0.02 0.07 0.36 -0.75 4.63 4.33 1h4iC1 ASP 548 HB2 0.01 0.01 -0.15 -0.04 2.71 2.54 1h4iC1 ASP 548 HB3 0.04 0.06 0.10 -0.04 2.70 2.85 1h4iC1 LEU 549 H 0.07 0.43 0.08 -0.55 8.37 8.40 1h4iC1 LEU 549 HA 0.04 0.11 0.77 -0.75 4.35 4.51 1h4iC1 LEU 549 HB2 0.08 -0.06 -0.06 -0.04 1.64 1.56 1h4iC1 LEU 549 HB3 0.04 -0.13 -0.02 -0.04 1.64 1.50 1h4iC1 LEU 549 HG 0.16 0.06 -0.32 -0.04 1.64 1.50 1h4iC1 LEU 549 HD13 0.08 -0.04 -0.15 -0.04 0.93 0.77 1h4iC1 LEU 549 HD23 0.03 0.02 -0.03 -0.04 0.89 0.86 1h4iC1 ALA 550 H 0.02 -0.03 0.16 -0.55 8.40 8.00 1h4iC1 ALA 550 HA 0.02 0.29 0.92 -0.75 4.34 4.81 1h4iC1 ALA 550 HB3 0.00 0.01 -0.04 -0.04 1.41 1.35 1h4iC1 ASP 551 H 0.01 -0.01 0.14 -0.55 8.40 7.99 1h4iC1 ASP 551 HA 0.00 0.18 0.49 -0.75 4.63 4.55 1h4iC1 ASP 551 HB2 -0.01 0.07 0.17 -0.04 2.71 2.91 1h4iC1 ASP 551 HB3 -0.00 -0.09 0.18 -0.04 2.70 2.75 1h4iC1 PRO 552 HA 0.04 0.04 0.31 -0.51 4.44 4.32 1h4iC1 PRO 552 HB2 0.05 0.05 0.08 -0.04 2.28 2.43 1h4iC1 PRO 552 HB3 0.01 0.12 0.18 -0.04 2.02 2.28 1h4iC1 PRO 552 HG2 0.02 -0.03 0.11 -0.04 2.03 2.09 1h4iC1 PRO 552 HG3 0.01 0.09 0.11 -0.04 2.03 2.20 1h4iC1 PRO 552 HD2 0.00 0.01 0.29 -0.04 3.68 3.94 1h4iC1 PRO 552 HD3 -0.00 0.30 0.27 -0.04 3.65 4.18 1h4iC1 THR 553 H 0.02 0.02 -0.45 -0.55 8.28 7.32 1h4iC1 THR 553 HA 0.05 0.28 0.64 -0.75 4.39 4.61 1h4iC1 THR 553 HB 0.01 -0.07 0.04 -0.04 4.32 4.26 1h4iC1 THR 553 HG23 -0.01 -0.01 -0.06 -0.04 1.22 1.09 1h4iC1 ALA 554 H 0.02 0.52 -0.22 -0.55 8.40 8.18 1h4iC1 ALA 554 HA -0.01 0.07 0.48 -0.75 4.34 4.12 1h4iC1 ALA 554 HB3 0.01 0.03 0.08 -0.04 1.41 1.49 1h4iC1 GLY 555 H -0.02 0.20 0.15 -0.55 8.43 8.22 1h4iC1 GLY 555 HA2 0.06 0.16 0.33 -0.51 4.01 4.05 1h4iC1 GLY 555 HA3 0.16 0.02 0.33 -0.51 4.01 4.01 1h4iC1 LEU 556 H 0.02 0.08 -0.10 -0.55 8.37 7.83 1h4iC1 LEU 556 HA 0.02 0.06 0.31 -0.75 4.35 3.99 1h4iC1 LEU 556 HB2 0.73 0.13 -0.04 -0.04 1.64 2.42 1h4iC1 LEU 556 HB3 0.44 0.01 0.17 -0.04 1.64 2.22 1h4iC1 LEU 556 HG -0.12 -0.06 -0.10 -0.04 1.64 1.32 1h4iC1 LEU 556 HD13 -0.25 0.01 -0.06 -0.04 0.93 0.58 1h4iC1 LEU 556 HD23 -0.56 0.01 0.05 -0.04 0.89 0.35 1h4iC1 GLY 557 H 0.12 0.33 -0.54 -0.55 8.43 7.79 1h4iC1 GLY 557 HA2 0.10 0.16 0.36 -0.51 4.01 4.12 1h4iC1 GLY 557 HA3 0.15 0.04 0.46 -0.51 4.01 4.15 1h4iC1 ALA 558 H 0.22 0.49 -0.45 -0.55 8.40 8.12 1h4iC1 ALA 558 HA 0.02 0.03 0.43 -0.75 4.34 4.06 1h4iC1 ALA 558 HB3 -0.22 0.00 0.02 -0.04 1.41 1.17 1h4iC1 VAL 559 H 0.12 0.36 -0.25 -0.55 8.24 7.92 1h4iC1 VAL 559 HA 0.11 -0.03 0.26 -0.75 4.13 3.72 1h4iC1 VAL 559 HB 0.07 0.11 -0.14 -0.04 2.12 2.12 1h4iC1 VAL 559 HG13 0.05 -0.03 -0.50 -0.04 0.97 0.45 1h4iC1 VAL 559 HG23 0.09 -0.04 -0.34 -0.04 0.95 0.62 1h4iC1 GLY 560 H 0.08 0.53 -0.01 -0.55 8.43 8.49 1h4iC1 GLY 560 HA2 0.00 0.03 0.41 -0.51 4.01 3.94 1h4iC1 GLY 560 HA3 0.07 0.04 0.42 -0.51 4.01 4.04 1h4iC1 ALA 561 H 0.11 0.20 -0.17 -0.55 8.40 7.99 1h4iC1 ALA 561 HA 0.27 0.11 0.39 -0.75 4.34 4.35 1h4iC1 ALA 561 HB3 -0.10 -0.02 -0.07 -0.04 1.41 1.18 1h4iC1 PHE 562 H 0.19 0.49 -0.25 -0.55 8.34 8.22 1h4iC1 PHE 562 HA 0.17 0.15 0.96 -0.75 4.62 5.15 1h4iC1 PHE 562 HB2 -0.04 0.18 0.19 -0.04 3.15 3.43 1h4iC1 PHE 562 HB3 -0.09 -0.14 0.27 -0.04 3.06 3.06 1h4iC1 PHE 562 HD2 -0.14 0.08 0.05 -0.04 7.28 7.22 1h4iC1 PHE 562 HE2 -0.01 -0.11 0.00 -0.04 7.38 7.23 1h4iC1 PHE 562 HZ 0.04 -0.02 0.00 -0.04 7.32 7.30 1h4iC1 LYS 563 H 0.08 0.45 -0.28 -0.55 8.42 8.12 1h4iC1 LYS 563 HA 0.06 0.03 0.36 -0.75 4.32 4.01 1h4iC1 LYS 563 HB2 -0.05 -0.08 0.10 -0.04 1.87 1.80 1h4iC1 LYS 563 HB3 -0.07 0.09 0.19 -0.04 1.79 1.96 1h4iC1 LYS 563 HG2 -0.19 0.21 0.12 -0.04 1.46 1.56 1h4iC1 LYS 563 HG3 -0.02 -0.03 -0.10 -0.04 1.46 1.27 1h4iC1 LYS 563 HD2 -0.47 0.02 -0.04 -0.04 1.69 1.16 1h4iC1 LYS 563 HD3 -0.19 -0.08 -0.02 -0.04 1.68 1.35 1h4iC1 LYS 563 HE2 -0.29 -0.07 0.09 -0.04 2.99 2.67 1h4iC1 LYS 563 HE3 -1.02 0.18 0.11 -0.04 2.99 2.22 1h4iC1 LYS 564 H 0.22 0.17 -0.32 -0.55 8.42 7.94 1h4iC1 LYS 564 HA 0.17 0.15 0.73 -0.75 4.32 4.61 1h4iC1 LYS 564 HB2 0.44 0.08 0.07 -0.04 1.87 2.41 1h4iC1 LYS 564 HB3 0.42 -0.07 0.10 -0.04 1.79 2.19 1h4iC1 LYS 564 HG2 0.17 -0.07 0.01 -0.04 1.46 1.53 1h4iC1 LYS 564 HG3 0.21 0.29 0.09 -0.04 1.46 2.00 1h4iC1 LYS 564 HD2 0.13 -0.07 0.03 -0.04 1.69 1.73 1h4iC1 LYS 564 HD3 0.07 -0.03 -0.11 -0.04 1.68 1.56 1h4iC1 LYS 564 HE2 0.07 -0.10 0.01 -0.04 2.99 2.93 1h4iC1 LYS 564 HE3 0.10 0.15 0.03 -0.04 2.99 3.22 1h4iC1 LEU 565 H 0.18 0.49 -0.19 -0.55 8.37 8.31 1h4iC1 LEU 565 HA -0.12 0.00 0.31 -0.75 4.35 3.78 1h4iC1 LEU 565 HB2 -0.10 0.04 0.16 -0.04 1.64 1.70 1h4iC1 LEU 565 HB3 -0.03 0.03 0.12 -0.04 1.64 1.71 1h4iC1 LEU 565 HG -0.15 0.02 -0.15 -0.04 1.64 1.31 1h4iC1 LEU 565 HD13 -0.67 0.01 -0.07 -0.04 0.93 0.16 1h4iC1 LEU 565 HD23 -0.26 -0.03 -0.09 -0.04 0.89 0.47 1h4iC1 ALA 566 H 0.06 0.21 -0.20 -0.55 8.40 7.92 1h4iC1 ALA 566 HA 0.01 0.25 0.45 -0.75 4.34 4.29 1h4iC1 ALA 566 HB3 0.01 0.01 0.08 -0.04 1.41 1.47 1h4iC1 ASN 567 H 0.08 0.43 -0.41 -0.55 8.53 8.09 1h4iC1 ASN 567 HA -0.11 0.08 0.60 -0.75 4.76 4.57 1h4iC1 ASN 567 HB2 -0.35 0.12 0.03 -0.04 2.88 2.64 1h4iC1 ASN 567 HB3 -0.37 -0.06 0.15 -0.04 2.79 2.47 1h4iC1 ASN 567 HD21 0.01 -0.02 0.03 -0.04 7.03 7.00 1h4iC1 ASN 567 HD22 -0.01 0.00 0.05 -0.04 7.74 7.74 1h4iC1 TYR 568 H 0.15 0.41 -0.14 -0.55 8.29 8.16 1h4iC1 TYR 568 HA 0.04 0.19 0.96 -0.75 4.56 5.00 1h4iC1 TYR 568 HB2 0.16 0.03 0.07 -0.04 3.06 3.28 1h4iC1 TYR 568 HB3 0.13 -0.00 0.16 -0.04 2.98 3.22 1h4iC1 TYR 568 HD2 0.23 0.10 -0.01 -0.04 7.15 7.42 1h4iC1 TYR 568 HE2 0.14 -0.01 -0.04 -0.04 6.85 6.90 1h4iC1 THR 569 H 0.06 0.25 0.13 -0.55 8.28 8.17 1h4iC1 THR 569 HA -0.01 0.16 0.55 -0.75 4.39 4.33 1h4iC1 THR 569 HB 0.01 0.13 -0.32 -0.04 4.32 4.11 1h4iC1 THR 569 HG23 -0.04 0.02 -0.13 -0.04 1.22 1.03 1h4iC1 GLN 570 H -0.02 0.32 0.25 -0.55 8.47 8.47 1h4iC1 GLN 570 HA -0.03 0.12 0.76 -0.75 4.36 4.46 1h4iC1 GLN 570 HB2 -0.03 0.08 0.07 -0.04 2.15 2.22 1h4iC1 GLN 570 HB3 -0.03 -0.05 0.14 -0.04 2.02 2.05 1h4iC1 GLN 570 HG2 -0.03 -0.01 -0.29 -0.04 2.40 2.03 1h4iC1 GLN 570 HG3 -0.03 -0.01 -0.02 -0.04 2.39 2.29 1h4iC1 GLN 570 HE21 -0.02 -0.07 0.09 -0.04 6.97 6.92 1h4iC1 GLN 570 HE22 -0.02 0.19 -0.03 -0.04 7.69 7.79 1h4iC1 MET 571 H -0.03 0.11 0.12 -0.55 8.47 8.12 1h4iC1 MET 571 HA -0.02 0.00 0.44 -0.75 4.52 4.19 1h4iC1 MET 571 HB2 -0.03 0.03 0.07 -0.04 2.15 2.18 1h4iC1 MET 571 HB3 -0.02 -0.04 0.15 -0.04 2.03 2.07 1h4iC1 MET 571 HG2 -0.06 0.04 0.01 -0.04 2.63 2.58 1h4iC1 MET 571 HG3 -0.07 0.05 0.02 -0.04 2.56 2.52 1h4iC1 MET 571 HE3 -0.09 0.05 0.07 -0.04 2.10 2.09 1h4iC1 GLY 572 H 0.00 0.32 0.25 -0.55 8.43 8.46 1h4iC1 GLY 572 HA2 0.02 0.11 0.42 -0.51 4.01 4.04 1h4iC1 GLY 572 HA3 0.11 0.02 0.22 -0.51 4.01 3.85 1h4iC1 GLY 573 H -0.01 0.10 -0.00 -0.55 8.43 7.97 1h4iC1 GLY 573 HA2 -1.09 0.26 0.62 -0.51 4.01 3.29 1h4iC1 GLY 573 HA3 -0.68 0.26 0.54 -0.51 4.01 3.62 1h4iC1 GLY 574 H -1.04 0.56 0.40 -0.55 8.43 7.80 1h4iC1 GLY 574 HA2 -0.34 0.00 0.50 -0.51 4.01 3.67 1h4iC1 GLY 574 HA3 -0.67 0.08 0.67 -0.51 4.01 3.58 1h4iC1 VAL 575 H 0.04 0.61 0.39 -0.55 8.24 8.73 1h4iC1 VAL 575 HA 0.10 0.29 1.11 -0.75 4.13 4.87 1h4iC1 VAL 575 HB 0.00 -0.06 -0.08 -0.04 2.12 1.94 1h4iC1 VAL 575 HG13 -0.13 0.01 -0.22 -0.04 0.97 0.59 1h4iC1 VAL 575 HG23 0.28 0.03 -0.18 -0.04 0.95 1.03 1h4iC1 VAL 576 H 0.08 0.68 0.31 -0.55 8.24 8.76 1h4iC1 VAL 576 HA -0.17 0.17 1.04 -0.75 4.13 4.41 1h4iC1 VAL 576 HB 0.10 0.00 0.06 -0.04 2.12 2.24 1h4iC1 VAL 576 HG13 -0.72 0.00 -0.15 -0.04 0.97 0.07 1h4iC1 VAL 576 HG23 0.12 -0.01 -0.13 -0.04 0.95 0.89 1h4iC1 VAL 577 H -0.59 0.62 0.33 -0.55 8.24 8.05 1h4iC1 VAL 577 HA -0.27 0.25 1.07 -0.75 4.13 4.43 1h4iC1 VAL 577 HB -1.44 -0.04 0.09 -0.04 2.12 0.69 1h4iC1 VAL 577 HG13 -0.35 0.01 -0.18 -0.04 0.97 0.41 1h4iC1 VAL 577 HG23 -1.24 -0.00 -0.27 -0.04 0.95 -0.60 1h4iC1 PHE 578 H 0.11 0.81 0.37 -0.55 8.34 9.08 1h4iC1 PHE 578 HA -0.11 0.22 0.89 -0.75 4.62 4.86 1h4iC1 PHE 578 HB2 -0.15 -0.03 -0.01 -0.04 3.15 2.92 1h4iC1 PHE 578 HB3 -0.13 -0.04 -0.13 -0.04 3.06 2.72 1h4iC1 PHE 578 HD2 -0.05 0.08 -0.33 -0.04 7.28 6.94 1h4iC1 PHE 578 HE2 -0.41 0.03 -0.18 -0.04 7.38 6.78 1h4iC1 PHE 578 HZ 0.08 0.01 -0.19 -0.04 7.32 7.17 1h4iC1 SER 579 H 0.06 0.63 0.34 -0.55 8.46 8.95 1h4iC1 SER 579 HA -0.16 0.11 0.54 -0.75 4.49 4.23 1h4iC1 SER 579 HB2 -0.35 -0.04 0.13 -0.04 3.95 3.66 1h4iC1 SER 579 HB3 -0.08 0.06 -0.19 -0.04 3.93 3.68 1h4iC1 LEU 580 H -0.15 0.15 0.13 -0.55 8.37 7.95 1h4iC1 LEU 580 HA -0.07 0.10 0.38 -0.75 4.35 4.00 1h4iC1 LEU 580 HB2 -0.09 -0.02 0.13 -0.04 1.64 1.62 1h4iC1 LEU 580 HB3 -0.06 0.06 -0.01 -0.04 1.64 1.60 1h4iC1 LEU 580 HG -0.13 -0.07 -0.01 -0.04 1.64 1.39 1h4iC1 LEU 580 HD13 -0.08 0.03 -0.06 -0.04 0.93 0.78 1h4iC1 LEU 580 HD23 -0.11 -0.02 -0.09 -0.04 0.89 0.64 1h4iC1 ASP 581 H 0.00 0.78 0.36 -0.55 8.40 8.99 1h4iC1 ASP 581 HA 0.04 0.08 0.38 -0.75 4.63 4.38 1h4iC1 ASP 581 HB2 0.00 0.14 0.07 -0.04 2.71 2.87 1h4iC1 ASP 581 HB3 0.02 -0.01 0.18 -0.04 2.70 2.86 1h4iC1 GLY 582 H 0.02 0.35 -0.45 -0.55 8.43 7.80 1h4iC1 GLY 582 HA2 0.04 0.08 -0.02 -0.51 4.01 3.60 1h4iC1 GLY 582 HA3 0.04 0.12 0.19 -0.51 4.01 3.85 1h4iC1 LYS 583 H 0.01 0.25 -0.48 -0.55 8.42 7.65 1h4iC1 LYS 583 HA 0.06 0.05 0.46 -0.75 4.32 4.14 1h4iC1 LYS 583 HB2 -0.02 -0.07 0.00 -0.04 1.87 1.74 1h4iC1 LYS 583 HB3 0.03 -0.05 0.02 -0.04 1.79 1.75 1h4iC1 LYS 583 HG2 0.02 0.03 -0.01 -0.04 1.46 1.45 1h4iC1 LYS 583 HG3 -0.00 0.20 0.01 -0.04 1.46 1.64 1h4iC1 LYS 583 HD2 -0.02 -0.07 -0.01 -0.04 1.69 1.54 1h4iC1 LYS 583 HD3 -0.00 -0.03 -0.01 -0.04 1.68 1.60 1h4iC1 LYS 583 HE2 -0.02 -0.07 -0.02 -0.04 2.99 2.85 1h4iC1 LYS 583 HE3 -0.00 0.01 -0.02 -0.04 2.99 2.93 1h4iC1 GLY 584 H 0.10 0.16 0.16 -0.55 8.43 8.30 1h4iC1 GLY 584 HA2 0.33 0.08 0.44 -0.51 4.01 4.35 1h4iC1 GLY 584 HA3 0.24 0.16 0.23 -0.51 4.01 4.12 1h4iC1 PRO 585 HA -0.14 0.03 0.39 -0.51 4.44 4.21 1h4iC1 PRO 585 HB2 -1.15 0.01 -0.06 -0.04 2.28 1.04 1h4iC1 PRO 585 HB3 -0.45 0.16 0.02 -0.04 2.02 1.72 1h4iC1 PRO 585 HG2 -0.77 0.02 -0.01 -0.04 2.03 1.23 1h4iC1 PRO 585 HG3 -0.29 0.13 0.09 -0.04 2.03 1.91 1h4iC1 PRO 585 HD2 -0.14 0.15 0.08 -0.04 3.68 3.72 1h4iC1 PRO 585 HD3 0.11 0.12 0.15 -0.04 3.65 3.98 1h4iC1 TYR 586 H -0.13 0.16 -0.27 -0.55 8.29 7.50 1h4iC1 TYR 586 HA -0.01 0.29 0.75 -0.75 4.56 4.84 1h4iC1 TYR 586 HB2 0.01 0.04 0.04 -0.04 3.06 3.11 1h4iC1 TYR 586 HB3 -0.00 0.02 0.12 -0.04 2.98 3.08 1h4iC1 TYR 586 HD2 -0.03 0.13 -0.01 -0.04 7.15 7.20 1h4iC1 TYR 586 HE2 -0.17 -0.02 -0.14 -0.04 6.85 6.48 1h4iC1 ASP 587 H 0.03 0.36 -0.39 -0.55 8.40 7.85 1h4iC1 ASP 587 HA 0.07 0.08 0.38 -0.75 4.63 4.41 1h4iC1 ASP 587 HB2 0.03 0.08 0.09 -0.04 2.71 2.88 1h4iC1 ASP 587 HB3 0.04 -0.04 0.02 -0.04 2.70 2.67 1h4iC1 ASP 588 H 0.04 0.23 -0.30 -0.55 8.40 7.82 1h4iC1 ASP 588 HA 0.04 0.14 0.73 -0.75 4.63 4.78 1h4iC1 ASP 588 HB2 0.02 0.02 0.08 -0.04 2.71 2.79 1h4iC1 ASP 588 HB3 0.03 0.06 0.21 -0.04 2.70 2.96 1h4iC1 PRO 589 HA 0.09 0.20 0.45 -0.51 4.44 4.67 1h4iC1 PRO 589 HB2 0.03 -0.01 0.03 -0.04 2.28 2.28 1h4iC1 PRO 589 HB3 0.04 0.08 0.10 -0.04 2.02 2.19 1h4iC1 PRO 589 HG2 0.03 -0.04 0.02 -0.04 2.03 2.00 1h4iC1 PRO 589 HG3 0.03 0.03 0.06 -0.04 2.03 2.10 1h4iC1 PRO 589 HD2 0.03 0.01 0.21 -0.04 3.68 3.89 1h4iC1 PRO 589 HD3 0.04 0.30 0.03 -0.04 3.65 3.99 1h4iC1 ASN 590 H 0.04 0.00 -0.49 -0.55 8.53 7.54 1h4iC1 ASN 590 HA 0.03 0.14 0.43 -0.75 4.76 4.61 1h4iC1 ASN 590 HB2 0.02 -0.02 0.00 -0.04 2.88 2.84 1h4iC1 ASN 590 HB3 0.01 -0.00 0.06 -0.04 2.79 2.82 1h4iC1 ASN 590 HD21 0.01 0.01 -0.01 -0.04 7.03 7.00 1h4iC1 ASN 590 HD22 0.02 -0.00 -0.00 -0.04 7.74 7.71 1h4iC1 VAL 591 H 0.09 0.41 -0.26 -0.55 8.24 7.93 1h4iC1 VAL 591 HA 0.05 -0.04 0.48 -0.75 4.13 3.87 1h4iC1 VAL 591 HB 0.15 0.14 0.18 -0.04 2.12 2.56 1h4iC1 VAL 591 HG13 -0.00 0.00 -0.04 -0.04 0.97 0.89 1h4iC1 VAL 591 HG23 0.01 -0.03 0.12 -0.04 0.95 1.01 1h4iC1 GLY 592 H 0.06 0.11 0.19 -0.55 8.43 8.24 1h4iC1 GLY 592 HA2 0.07 -0.04 0.32 -0.51 4.01 3.85 1h4iC1 GLY 592 HA3 0.13 0.12 0.55 -0.51 4.01 4.30 1h4iC1 GLU 593 H 0.04 0.33 -0.37 -0.55 8.60 8.05 1h4iC1 GLU 593 HA 0.06 0.04 0.53 -0.75 4.29 4.17 1h4iC1 GLU 593 HB2 0.03 0.07 0.05 -0.04 2.09 2.20 1h4iC1 GLU 593 HB3 0.06 0.01 -0.01 -0.04 1.99 2.01 1h4iC1 GLU 593 HG2 0.03 0.18 -0.13 -0.04 2.34 2.37 1h4iC1 GLU 593 HG3 0.03 -0.11 -0.02 -0.04 2.34 2.20 1h4iC1 TRP 594 H 0.25 0.09 0.16 -0.55 7.97 7.91 1h4iC1 TRP 594 HA -0.01 0.08 0.49 -0.75 4.62 4.44 1h4iC1 TRP 594 HB2 -0.01 0.04 0.11 -0.04 3.23 3.33 1h4iC1 TRP 594 HB3 -0.01 -0.03 0.10 -0.04 3.23 3.24 1h4iC1 TRP 594 HD1 -0.00 0.03 0.03 -0.04 7.22 7.23 1h4iC1 TRP 594 HE1 -0.00 -0.01 0.01 -0.04 10.20 10.16 1h4iC1 TRP 594 HE3 -0.01 0.01 -0.18 -0.04 7.59 7.37 1h4iC1 TRP 594 HZ2 -0.00 -0.00 -0.01 -0.04 7.44 7.38 1h4iC1 TRP 594 HZ3 -0.00 -0.01 -0.05 -0.04 7.13 7.02 1h4iC1 TRP 594 HH2 -0.00 -0.02 -0.02 -0.04 7.19 7.11 1h4iC1 LYS 595 H -0.89 0.28 0.08 -0.55 8.42 7.34 1h4iC1 LYS 595 HA -0.47 0.20 0.57 -0.75 4.32 3.87 1h4iC1 LYS 595 HB2 -0.19 0.13 -0.25 -0.04 1.87 1.52 1h4iC1 LYS 595 HB3 -0.31 -0.00 0.03 -0.04 1.79 1.47 1h4iC1 LYS 595 HG2 -0.26 -0.04 0.04 -0.04 1.46 1.16 1h4iC1 LYS 595 HG3 -0.17 0.02 0.02 -0.04 1.46 1.29 1h4iC1 LYS 595 HD2 -0.10 0.03 -0.02 -0.04 1.69 1.56 1h4iC1 LYS 595 HD3 -0.14 -0.01 -0.00 -0.04 1.68 1.49 1h4iC1 LYS 595 HE2 -0.11 -0.02 0.00 -0.04 2.99 2.83 1h4iC1 LYS 595 HE3 -0.09 -0.00 -0.00 -0.04 2.99 2.86