============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 86 rings ring int. center anis. iso. TYR 3 0.840 28.112 -4.436 12.887 -99.200 -91.000 TYR 7 0.840 34.506 -7.709 14.677 -99.200 -91.000 HIS 16 0.900 43.841 -30.743 16.438 -99.200 -91.000 TRP 23 1.040 51.190 -40.773 3.052 -99.200 -91.000 TRP6 23 1.020 49.942 -40.607 1.053 -99.200 -91.000 PHE 33 1.000 50.267 -21.392 18.723 -99.200 -91.000 TYR 34 0.840 42.564 -23.781 19.732 -99.200 -91.000 TYR 36 0.840 39.819 -12.520 21.731 -99.200 -91.000 TRP 37 1.040 44.447 -9.870 20.111 -99.200 -91.000 TRP6 37 1.020 42.753 -8.211 20.104 -99.200 -91.000 TYR 50 0.840 52.640 -35.088 6.244 -99.200 -91.000 PHE 59 1.000 60.572 -26.275 6.033 -99.200 -91.000 PHE 61 1.000 66.819 -31.309 -1.690 -99.200 -91.000 PHE 71 1.000 78.490 -18.749 4.747 -99.200 -91.000 HIS 78 0.900 86.339 -7.786 3.982 -99.200 -91.000 PHE 79 1.000 82.166 -13.079 4.617 -99.200 -91.000 PHE 84 1.000 73.809 -9.954 5.387 -99.200 -91.000 PHE 85 1.000 69.339 -4.964 10.043 -99.200 -91.000 PHE 88 1.000 68.734 -9.083 3.117 -99.200 -91.000 PHE 89 1.000 64.892 -4.138 1.073 -99.200 -91.000 TRP 90 1.040 70.871 -0.675 -2.906 -99.200 -91.000 TRP6 90 1.020 69.512 -0.101 -1.056 -99.200 -91.000 TYR 94 0.840 74.065 -9.155 -8.976 -99.200 -91.000 TYR 100 0.840 82.005 -17.523 -17.977 -99.200 -91.000 HIS 108 0.900 85.622 -16.166 -10.329 -99.200 -91.000 TRP 112 1.040 80.030 -19.656 -4.853 -99.200 -91.000 TRP6 112 1.020 79.919 -21.702 -3.676 -99.200 -91.000 TRP 113 1.040 71.912 -17.057 -10.421 -99.200 -91.000 TRP6 113 1.020 71.498 -18.349 -12.350 -99.200 -91.000 PHE 119 1.000 71.981 -27.718 -3.277 -99.200 -91.000 TRP 127 1.040 55.619 -26.409 -0.475 -99.200 -91.000 TRP6 127 1.020 55.986 -26.589 1.850 -99.200 -91.000 TRP 128 1.040 53.846 -29.929 -8.010 -99.200 -91.000 TRP6 128 1.020 53.466 -32.199 -8.532 -99.200 -91.000 TYR 132 0.840 50.143 -35.574 -7.073 -99.200 -91.000 HIS 143 0.900 40.769 -29.928 -8.861 -99.200 -91.000 TRP 146 1.040 47.430 -31.198 -11.888 -99.200 -91.000 TRP6 146 1.020 49.580 -31.915 -12.583 -99.200 -91.000 PHE 148 1.000 54.057 -25.184 -5.773 -99.200 -91.000 PHE 153 1.000 57.007 -24.764 -18.074 -99.200 -91.000 PHE 154 1.000 57.177 -16.521 -14.882 -99.200 -91.000 HIS 162 0.900 65.509 -16.294 -22.017 -99.200 -91.000 TRP 169 1.040 74.376 -21.538 -17.506 -99.200 -91.000 TRP6 169 1.020 72.331 -22.554 -16.900 -99.200 -91.000 PHE 175 1.000 68.857 -17.335 -6.586 -99.200 -91.000 TRP 178 1.040 66.768 -2.177 -3.683 -99.200 -91.000 TRP6 178 1.020 64.418 -1.910 -3.833 -99.200 -91.000 HIS 180 0.900 63.231 -9.991 -7.101 -99.200 -91.000 TRP 183 1.040 66.416 -11.136 -15.162 -99.200 -91.000 TRP6 183 1.020 64.152 -11.775 -15.373 -99.200 -91.000 PHE 187 1.000 64.196 -11.714 -20.066 -99.200 -91.000 TYR 191 0.840 65.424 -11.095 -24.684 -99.200 -91.000 PHE 194 1.000 59.419 -9.525 -21.441 -99.200 -91.000 TYR 195 0.840 54.853 -1.572 -20.037 -99.200 -91.000 TYR 196 0.840 54.798 -1.724 -27.637 -99.200 -91.000 TRP 199 1.040 52.012 -15.476 -25.453 -99.200 -91.000 TRP6 199 1.020 52.697 -14.730 -27.585 -99.200 -91.000 HIS 200 0.900 54.617 -7.710 -19.330 -99.200 -91.000 PHE 202 1.000 46.917 -13.433 -24.830 -99.200 -91.000 PHE 206 1.000 44.252 -15.205 -18.698 -99.200 -91.000 TYR 208 0.840 46.427 -4.972 -14.387 -99.200 -91.000 PHE 214 1.000 40.368 -14.671 -3.459 -99.200 -91.000 HIS 217 0.900 34.283 -16.660 -4.684 -99.200 -91.000 PHE 227 1.000 20.855 -14.451 2.673 -99.200 -91.000 PHE 249 1.000 25.823 -8.149 -7.269 -99.200 -91.000 TRP 250 1.040 28.413 -11.567 -9.364 -99.200 -91.000 TRP6 250 1.020 29.655 -9.633 -9.913 -99.200 -91.000 TRP 252 1.040 18.526 -10.565 -11.595 -99.200 -91.000 TRP6 252 1.020 17.449 -10.159 -9.533 -99.200 -91.000 PHE 256 1.000 28.791 -13.453 -18.230 -99.200 -91.000 HIS 264 0.900 34.730 -21.495 -5.442 -99.200 -91.000 TRP 266 1.040 34.054 -18.685 -14.877 -99.200 -91.000 TRP6 266 1.020 34.445 -17.582 -16.929 -99.200 -91.000 TRP 268 1.040 42.838 -24.419 -10.587 -99.200 -91.000 TRP6 268 1.020 43.057 -25.479 -12.687 -99.200 -91.000 PHE 269 1.000 41.342 -20.495 -18.275 -99.200 -91.000 PHE 270 1.000 40.010 -14.859 -15.548 -99.200 -91.000 PHE 288 1.000 61.137 -20.226 -31.473 -99.200 -91.000 TRP 292 1.040 58.823 -9.875 -26.839 -99.200 -91.000 TRP6 292 1.020 57.321 -11.362 -27.869 -99.200 -91.000 TYR 293 0.840 58.328 -0.078 -31.092 -99.200 -91.000 TRP 295 1.040 56.662 -10.592 -33.231 -99.200 -91.000 TRP6 295 1.020 54.473 -10.569 -32.348 -99.200 -91.000 HIS 299 0.900 53.956 -10.100 -36.841 -99.200 -91.000 TYR 305 0.840 52.137 7.373 -29.145 -99.200 -91.000 TYR 308 0.840 55.666 19.018 -26.833 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1r2cM1 ALA 1 HA -0.20 -0.05 0.19 -0.75 4.34 3.52 1r2cM1 ALA 1 HB3 -0.35 0.00 0.01 -0.04 1.41 1.04 1r2cM1 ASP 2 H -0.19 0.12 0.07 -0.55 8.40 7.85 1r2cM1 ASP 2 HA -0.16 -0.00 0.40 -0.75 4.63 4.11 1r2cM1 ASP 2 HB2 -0.15 0.05 0.17 -0.04 2.71 2.75 1r2cM1 ASP 2 HB3 -0.14 0.06 0.19 -0.04 2.70 2.77 1r2cM1 TYR 3 H -0.11 0.16 0.34 -0.55 8.29 8.13 1r2cM1 TYR 3 HA -0.06 0.12 0.53 -0.75 4.56 4.40 1r2cM1 TYR 3 HB2 -0.14 -0.06 0.13 -0.04 3.06 2.95 1r2cM1 TYR 3 HB3 -0.16 0.01 0.14 -0.04 2.98 2.93 1r2cM1 TYR 3 HD2 0.02 -0.08 0.08 -0.04 7.15 7.13 1r2cM1 TYR 3 HE2 0.02 -0.04 0.02 -0.04 6.85 6.80 1r2cM1 GLN 4 H -0.07 0.01 -0.21 -0.55 8.47 7.65 1r2cM1 GLN 4 HA -0.18 0.22 0.46 -0.75 4.36 4.10 1r2cM1 GLN 4 HB2 -0.09 -0.06 0.01 -0.04 2.15 1.97 1r2cM1 GLN 4 HB3 -0.08 0.04 -0.02 -0.04 2.02 1.92 1r2cM1 GLN 4 HG2 -0.07 -0.05 0.07 -0.04 2.40 2.31 1r2cM1 GLN 4 HG3 -0.07 0.03 0.02 -0.04 2.39 2.33 1r2cM1 GLN 4 HE21 -0.06 0.00 0.04 -0.04 6.97 6.91 1r2cM1 GLN 4 HE22 -0.06 0.02 0.02 -0.04 7.69 7.63 1r2cM1 THR 5 H -0.09 0.26 -0.53 -0.55 8.28 7.37 1r2cM1 THR 5 HA -0.05 0.05 0.40 -0.75 4.39 4.04 1r2cM1 THR 5 HB -0.05 -0.04 0.04 -0.04 4.32 4.23 1r2cM1 THR 5 HG23 -0.08 -0.04 0.02 -0.04 1.22 1.07 1r2cM1 ILE 6 H -0.03 0.22 -0.30 -0.55 8.25 7.60 1r2cM1 ILE 6 HA 0.07 0.07 0.66 -0.75 4.18 4.23 1r2cM1 ILE 6 HB 0.24 0.11 0.17 -0.04 1.89 2.37 1r2cM1 ILE 6 HG12 0.06 -0.01 -0.04 -0.04 1.49 1.46 1r2cM1 ILE 6 HG13 0.03 -0.01 0.01 -0.04 1.21 1.20 1r2cM1 ILE 6 HG23 0.28 -0.02 -0.08 -0.04 0.93 1.07 1r2cM1 ILE 6 HD13 0.16 -0.02 -0.01 -0.04 0.88 0.98 1r2cM1 TYR 7 H -0.19 0.54 0.11 -0.55 8.29 8.20 1r2cM1 TYR 7 HA 0.00 0.12 0.47 -0.75 4.56 4.40 1r2cM1 TYR 7 HB2 0.00 0.14 0.10 -0.04 3.06 3.27 1r2cM1 TYR 7 HB3 0.03 0.07 -0.09 -0.04 2.98 2.95 1r2cM1 TYR 7 HD2 0.01 0.05 -0.32 -0.04 7.15 6.86 1r2cM1 TYR 7 HE2 0.03 -0.01 -0.10 -0.04 6.85 6.73 1r2cM1 THR 8 H 0.05 0.74 0.31 -0.55 8.28 8.84 1r2cM1 THR 8 HA -0.14 -0.02 0.57 -0.75 4.39 4.04 1r2cM1 THR 8 HB -0.03 0.02 0.14 -0.04 4.32 4.40 1r2cM1 THR 8 HG23 -0.04 -0.06 -0.20 -0.04 1.22 0.88 1r2cM1 GLN 9 H -0.22 0.10 0.18 -0.55 8.47 7.99 1r2cM1 GLN 9 HA 0.05 0.09 0.38 -0.75 4.36 4.13 1r2cM1 GLN 9 HB2 -0.07 -0.07 0.14 -0.04 2.15 2.10 1r2cM1 GLN 9 HB3 -0.03 0.00 0.03 -0.04 2.02 1.98 1r2cM1 GLN 9 HG2 -0.31 0.06 -0.01 -0.04 2.40 2.10 1r2cM1 GLN 9 HG3 -0.26 0.04 0.06 -0.04 2.39 2.19 1r2cM1 GLN 9 HE21 0.03 -0.00 0.04 -0.04 6.97 6.99 1r2cM1 GLN 9 HE22 -0.05 -0.02 0.04 -0.04 7.69 7.61 1r2cM1 ILE 10 H -0.04 0.08 -0.06 -0.55 8.25 7.68 1r2cM1 ILE 10 HA 0.02 0.21 1.03 -0.75 4.18 4.68 1r2cM1 ILE 10 HB -0.01 -0.05 0.14 -0.04 1.89 1.93 1r2cM1 ILE 10 HG12 0.00 0.07 -0.09 -0.04 1.49 1.43 1r2cM1 ILE 10 HG13 -0.01 -0.14 -0.24 -0.04 1.21 0.78 1r2cM1 ILE 10 HG23 0.00 0.04 -0.06 -0.04 0.93 0.87 1r2cM1 ILE 10 HD13 -0.01 -0.00 -0.01 -0.04 0.88 0.81 1r2cM1 GLN 11 H 0.02 0.15 0.02 -0.55 8.47 8.11 1r2cM1 GLN 11 HA -0.01 0.09 0.48 -0.75 4.36 4.16 1r2cM1 GLN 11 HB2 0.04 -0.04 0.05 -0.04 2.15 2.16 1r2cM1 GLN 11 HB3 0.02 0.02 0.05 -0.04 2.02 2.06 1r2cM1 GLN 11 HG2 -0.06 0.08 0.03 -0.04 2.40 2.41 1r2cM1 GLN 11 HG3 -0.11 0.09 -0.09 -0.04 2.39 2.24 1r2cM1 GLN 11 HE21 -0.90 0.54 0.11 -0.04 6.97 6.67 1r2cM1 GLN 11 HE22 -0.61 0.04 -0.11 -0.04 7.69 6.97 1r2cM1 ALA 12 H 0.01 0.19 0.23 -0.55 8.40 8.29 1r2cM1 ALA 12 HA -0.00 0.18 0.86 -0.75 4.34 4.63 1r2cM1 ALA 12 HB3 0.00 0.02 -0.01 -0.04 1.41 1.38 1r2cM1 ARG 13 H -0.02 0.32 0.20 -0.55 8.46 8.41 1r2cM1 ARG 13 HA -0.02 0.11 0.72 -0.75 4.34 4.39 1r2cM1 ARG 13 HB2 -0.08 -0.01 -0.01 -0.04 1.90 1.76 1r2cM1 ARG 13 HB3 -0.20 0.02 -0.00 -0.04 1.80 1.58 1r2cM1 ARG 13 HG2 -0.04 -0.01 -0.60 -0.04 1.67 0.98 1r2cM1 ARG 13 HG3 -0.11 -0.02 -0.13 -0.04 1.67 1.37 1r2cM1 ARG 13 HD2 -0.61 -0.01 0.00 -0.04 3.22 2.57 1r2cM1 ARG 13 HD3 -0.03 0.12 0.18 -0.04 3.22 3.45 1r2cM1 GLY 14 H -0.02 0.33 0.16 -0.55 8.43 8.36 1r2cM1 GLY 14 HA2 -0.01 0.10 0.49 -0.51 4.01 4.08 1r2cM1 GLY 14 HA3 0.01 0.06 0.30 -0.51 4.01 3.87 1r2cM1 PRO 15 HA 0.06 -0.01 0.43 -0.51 4.44 4.41 1r2cM1 PRO 15 HB2 0.02 0.10 -0.06 -0.04 2.28 2.30 1r2cM1 PRO 15 HB3 0.02 0.01 0.10 -0.04 2.02 2.11 1r2cM1 PRO 15 HG2 0.01 0.03 0.03 -0.04 2.03 2.06 1r2cM1 PRO 15 HG3 0.01 0.04 0.06 -0.04 2.03 2.09 1r2cM1 PRO 15 HD2 0.01 0.10 0.20 -0.04 3.68 3.95 1r2cM1 PRO 15 HD3 0.00 0.12 0.16 -0.04 3.65 3.90 1r2cM1 HIS 16 H 0.20 0.08 0.17 -0.55 8.41 8.30 1r2cM1 HIS 16 HA 0.09 0.02 0.49 -0.75 4.63 4.48 1r2cM1 HIS 16 HB2 0.13 0.02 0.13 -0.04 3.26 3.50 1r2cM1 HIS 16 HB3 0.06 -0.07 0.18 -0.04 3.20 3.34 1r2cM1 HIS 16 HD2 0.03 -0.06 -0.01 -0.04 6.97 6.89 1r2cM1 HIS 16 HE1 -0.02 -0.04 0.03 -0.04 7.75 7.68 1r2cM1 ILE 17 H 0.08 0.08 0.21 -0.55 8.25 8.08 1r2cM1 ILE 17 HA -0.12 0.10 0.55 -0.75 4.18 3.95 1r2cM1 ILE 17 HB -0.01 -0.03 0.04 -0.04 1.89 1.85 1r2cM1 ILE 17 HG12 -0.02 0.00 -0.03 -0.04 1.49 1.40 1r2cM1 ILE 17 HG13 0.02 0.14 0.06 -0.04 1.21 1.39 1r2cM1 ILE 17 HG23 -0.05 -0.01 -0.07 -0.04 0.93 0.77 1r2cM1 ILE 17 HD13 -0.00 -0.02 -0.01 -0.04 0.88 0.81 1r2cM1 THR 18 H -0.13 0.25 0.15 -0.55 8.28 7.99 1r2cM1 THR 18 HA -0.11 0.12 0.62 -0.75 4.39 4.27 1r2cM1 THR 18 HB -0.16 -0.04 -0.04 -0.04 4.32 4.04 1r2cM1 THR 18 HG23 -0.06 -0.01 -0.18 -0.04 1.22 0.93 1r2cM1 VAL 19 H -0.07 0.23 0.11 -0.55 8.24 7.96 1r2cM1 VAL 19 HA -0.06 0.15 0.94 -0.75 4.13 4.40 1r2cM1 VAL 19 HB -0.08 -0.02 0.09 -0.04 2.12 2.07 1r2cM1 VAL 19 HG13 -0.08 0.04 -0.07 -0.04 0.97 0.83 1r2cM1 VAL 19 HG23 -0.06 -0.01 -0.09 -0.04 0.95 0.75 1r2cM1 SER 20 H -0.06 0.14 0.11 -0.55 8.46 8.11 1r2cM1 SER 20 HA -0.06 0.01 0.55 -0.75 4.49 4.24 1r2cM1 SER 20 HB2 -0.03 -0.01 0.05 -0.04 3.95 3.92 1r2cM1 SER 20 HB3 -0.04 -0.00 0.12 -0.04 3.93 3.97 1r2cM1 GLY 21 H -0.12 0.01 0.17 -0.55 8.43 7.95 1r2cM1 GLY 21 HA2 -0.23 0.36 0.66 -0.51 4.01 4.30 1r2cM1 GLY 21 HA3 -0.35 0.00 0.30 -0.51 4.01 3.45 1r2cM1 GLU 22 H -0.27 0.66 0.37 -0.55 8.60 8.81 1r2cM1 GLU 22 HA 0.07 0.06 0.39 -0.75 4.29 4.05 1r2cM1 GLU 22 HB2 0.04 0.18 0.25 -0.04 2.09 2.52 1r2cM1 GLU 22 HB3 0.73 -0.09 -0.00 -0.04 1.99 2.59 1r2cM1 GLU 22 HG2 0.24 -0.03 0.04 -0.04 2.34 2.55 1r2cM1 GLU 22 HG3 0.20 -0.04 0.13 -0.04 2.34 2.60 1r2cM1 TRP 23 H -0.31 0.10 -0.78 -0.55 7.97 6.44 1r2cM1 TRP 23 HA 0.01 0.08 0.34 -0.75 4.62 4.30 1r2cM1 TRP 23 HB2 0.02 -0.10 0.17 -0.04 3.23 3.28 1r2cM1 TRP 23 HB3 0.00 0.30 -0.14 -0.04 3.23 3.35 1r2cM1 TRP 23 HD1 0.09 -0.08 -0.15 -0.04 7.22 7.04 1r2cM1 TRP 23 HE1 0.03 -0.06 -0.09 -0.04 10.20 10.04 1r2cM1 TRP 23 HE3 -0.03 0.07 -0.32 -0.04 7.59 7.26 1r2cM1 TRP 23 HZ2 -0.08 -0.05 -0.05 -0.04 7.44 7.22 1r2cM1 TRP 23 HZ3 -0.06 0.08 -0.11 -0.04 7.13 7.00 1r2cM1 TRP 23 HH2 -0.10 0.01 -0.00 -0.04 7.19 7.06 1r2cM1 GLY 24 H 0.37 0.20 0.12 -0.55 8.43 8.58 1r2cM1 GLY 24 HA2 0.32 0.02 0.34 -0.51 4.01 4.18 1r2cM1 GLY 24 HA3 0.40 0.14 0.39 -0.51 4.01 4.43 1r2cM1 ASP 25 H 0.07 0.15 -0.42 -0.55 8.40 7.64 1r2cM1 ASP 25 HA 0.04 0.15 0.41 -0.75 4.63 4.48 1r2cM1 ASP 25 HB2 0.03 -0.04 0.05 -0.04 2.71 2.72 1r2cM1 ASP 25 HB3 0.01 0.09 -0.01 -0.04 2.70 2.75 1r2cM1 ASN 26 H 0.07 0.02 -0.22 -0.55 8.53 7.85 1r2cM1 ASN 26 HA 0.02 0.20 0.47 -0.75 4.76 4.70 1r2cM1 ASN 26 HB2 0.04 -0.06 -0.02 -0.04 2.88 2.80 1r2cM1 ASN 26 HB3 0.02 0.07 0.11 -0.04 2.79 2.95 1r2cM1 ASN 26 HD21 0.04 0.06 0.00 -0.04 7.03 7.09 1r2cM1 ASN 26 HD22 0.06 -0.04 0.01 -0.04 7.74 7.72 1r2cM1 ASP 27 H 0.04 0.42 -0.79 -0.55 8.40 7.53 1r2cM1 ASP 27 HA -0.09 0.21 0.79 -0.75 4.63 4.79 1r2cM1 ASP 27 HB2 -0.04 -0.07 0.11 -0.04 2.71 2.67 1r2cM1 ASP 27 HB3 -0.68 -0.11 0.15 -0.04 2.70 2.02 1r2cM1 ARG 28 H 0.01 0.38 -0.24 -0.55 8.46 8.05 1r2cM1 ARG 28 HA -0.01 0.05 0.59 -0.75 4.34 4.21 1r2cM1 ARG 28 HB2 0.05 0.11 0.18 -0.04 1.90 2.19 1r2cM1 ARG 28 HB3 0.05 0.02 -0.11 -0.04 1.80 1.73 1r2cM1 ARG 28 HG2 0.18 -0.11 -0.08 -0.04 1.67 1.62 1r2cM1 ARG 28 HG3 0.12 0.01 0.07 -0.04 1.67 1.83 1r2cM1 ARG 28 HD2 0.05 0.04 -0.01 -0.04 3.22 3.26 1r2cM1 ARG 28 HD3 0.07 0.02 -0.11 -0.04 3.22 3.16 1r2cM1 VAL 29 H -0.04 0.42 0.28 -0.55 8.24 8.34 1r2cM1 VAL 29 HA -0.01 0.19 0.84 -0.75 4.13 4.40 1r2cM1 VAL 29 HB -0.04 0.00 -0.01 -0.04 2.12 2.03 1r2cM1 VAL 29 HG13 -0.05 0.01 0.05 -0.04 0.97 0.94 1r2cM1 VAL 29 HG23 -0.02 -0.01 0.00 -0.04 0.95 0.88 1r2cM1 GLY 30 H 0.00 0.10 0.11 -0.55 8.43 8.10 1r2cM1 GLY 30 HA2 0.02 -0.01 0.36 -0.51 4.01 3.87 1r2cM1 GLY 30 HA3 0.02 0.14 0.86 -0.51 4.01 4.52 1r2cM1 LYS 31 H 0.05 0.16 0.11 -0.55 8.42 8.19 1r2cM1 LYS 31 HA 0.01 0.26 0.93 -0.75 4.32 4.77 1r2cM1 LYS 31 HB2 0.03 -0.06 -0.02 -0.04 1.87 1.78 1r2cM1 LYS 31 HB3 0.06 -0.03 0.11 -0.04 1.79 1.89 1r2cM1 LYS 31 HG2 0.07 0.13 -0.19 -0.04 1.46 1.43 1r2cM1 LYS 31 HG3 0.04 0.02 0.02 -0.04 1.46 1.50 1r2cM1 LYS 31 HD2 0.03 -0.04 -0.02 -0.04 1.69 1.63 1r2cM1 LYS 31 HD3 0.04 -0.03 -0.03 -0.04 1.68 1.62 1r2cM1 LYS 31 HE2 0.04 0.00 -0.01 -0.04 2.99 2.98 1r2cM1 LYS 31 HE3 0.03 -0.04 -0.01 -0.04 2.99 2.93 1r2cM1 PRO 32 HA -0.21 0.22 0.23 -0.51 4.44 4.17 1r2cM1 PRO 32 HB2 -0.22 -0.08 0.07 -0.04 2.28 2.01 1r2cM1 PRO 32 HB3 -0.49 0.11 -0.09 -0.04 2.02 1.50 1r2cM1 PRO 32 HG2 -1.21 0.00 0.02 -0.04 2.03 0.81 1r2cM1 PRO 32 HG3 -0.50 0.11 -0.17 -0.04 2.03 1.44 1r2cM1 PRO 32 HD2 -0.07 0.05 0.15 -0.04 3.68 3.76 1r2cM1 PRO 32 HD3 -0.08 0.28 0.15 -0.04 3.65 3.96 1r2cM1 PHE 33 H -0.29 0.46 0.39 -0.55 8.34 8.34 1r2cM1 PHE 33 HA 0.17 0.16 0.97 -0.75 4.62 5.16 1r2cM1 PHE 33 HB2 0.07 -0.04 0.15 -0.04 3.15 3.29 1r2cM1 PHE 33 HB3 0.03 0.05 0.04 -0.04 3.06 3.14 1r2cM1 PHE 33 HD2 0.01 0.14 -0.03 -0.04 7.28 7.36 1r2cM1 PHE 33 HE2 0.01 -0.05 -0.04 -0.04 7.38 7.26 1r2cM1 PHE 33 HZ 0.01 -0.03 -0.02 -0.04 7.32 7.23 1r2cM1 TYR 34 H 0.52 0.14 0.16 -0.55 8.29 8.56 1r2cM1 TYR 34 HA -0.09 0.38 0.84 -0.75 4.56 4.93 1r2cM1 TYR 34 HB2 0.05 -0.02 -0.01 -0.04 3.06 3.04 1r2cM1 TYR 34 HB3 0.01 -0.03 -0.09 -0.04 2.98 2.84 1r2cM1 TYR 34 HD2 0.02 -0.06 -0.07 -0.04 7.15 6.99 1r2cM1 TYR 34 HE2 -0.00 0.08 -0.07 -0.04 6.85 6.81 1r2cM1 SER 35 H 0.07 0.40 0.22 -0.55 8.46 8.60 1r2cM1 SER 35 HA 0.21 0.14 0.91 -0.75 4.49 4.99 1r2cM1 SER 35 HB2 0.16 0.12 -0.03 -0.04 3.95 4.16 1r2cM1 SER 35 HB3 0.06 0.09 0.19 -0.04 3.93 4.23 1r2cM1 TYR 36 H 0.18 0.22 0.11 -0.55 8.29 8.25 1r2cM1 TYR 36 HA -0.10 0.11 0.39 -0.75 4.56 4.21 1r2cM1 TYR 36 HB2 -0.17 0.04 0.09 -0.04 3.06 2.98 1r2cM1 TYR 36 HB3 -0.42 -0.05 0.13 -0.04 2.98 2.60 1r2cM1 TYR 36 HD2 -0.95 -0.03 -0.06 -0.04 7.15 6.07 1r2cM1 TYR 36 HE2 -0.57 0.01 -0.03 -0.04 6.85 6.23 1r2cM1 TRP 37 H 0.06 0.07 -0.04 -0.55 7.97 7.52 1r2cM1 TRP 37 HA -0.13 0.15 0.41 -0.75 4.62 4.30 1r2cM1 TRP 37 HB2 0.05 -0.05 0.07 -0.04 3.23 3.26 1r2cM1 TRP 37 HB3 0.01 0.08 -0.01 -0.04 3.23 3.26 1r2cM1 TRP 37 HD1 0.11 -0.02 0.05 -0.04 7.22 7.32 1r2cM1 TRP 37 HE1 0.11 0.02 0.01 -0.04 10.20 10.29 1r2cM1 TRP 37 HE3 -0.03 0.02 0.02 -0.04 7.59 7.56 1r2cM1 TRP 37 HZ2 0.09 0.00 -0.01 -0.04 7.44 7.48 1r2cM1 TRP 37 HZ3 -0.02 0.04 -0.02 -0.04 7.13 7.09 1r2cM1 TRP 37 HH2 0.07 0.02 -0.01 -0.04 7.19 7.22 1r2cM1 LEU 38 H 0.17 -0.00 -0.30 -0.55 8.37 7.69 1r2cM1 LEU 38 HA 0.09 0.07 0.27 -0.75 4.35 4.02 1r2cM1 LEU 38 HB2 0.09 -0.08 0.06 -0.04 1.64 1.66 1r2cM1 LEU 38 HB3 0.03 0.09 0.05 -0.04 1.64 1.77 1r2cM1 LEU 38 HG 0.00 0.08 -0.24 -0.04 1.64 1.44 1r2cM1 LEU 38 HD13 0.04 -0.01 -0.03 -0.04 0.93 0.89 1r2cM1 LEU 38 HD23 -0.03 0.02 -0.06 -0.04 0.89 0.78 1r2cM1 GLY 39 H -0.02 0.47 -0.27 -0.55 8.43 8.07 1r2cM1 GLY 39 HA2 -0.02 0.10 -0.04 -0.51 4.01 3.54 1r2cM1 GLY 39 HA3 -0.06 -0.04 0.29 -0.51 4.01 3.69 1r2cM1 LYS 40 H -0.08 0.40 -0.76 -0.55 8.42 7.42 1r2cM1 LYS 40 HA -0.05 0.07 0.54 -0.75 4.32 4.13 1r2cM1 LYS 40 HB2 0.07 0.11 0.13 -0.04 1.87 2.14 1r2cM1 LYS 40 HB3 0.05 -0.06 0.07 -0.04 1.79 1.81 1r2cM1 LYS 40 HG2 -0.61 0.01 0.01 -0.04 1.46 0.83 1r2cM1 LYS 40 HG3 -0.35 -0.07 0.18 -0.04 1.46 1.17 1r2cM1 LYS 40 HD2 -0.91 -0.10 -0.05 -0.04 1.69 0.59 1r2cM1 LYS 40 HD3 0.10 -0.03 0.01 -0.04 1.68 1.72 1r2cM1 LYS 40 HE2 -0.11 -0.06 -0.02 -0.04 2.99 2.76 1r2cM1 LYS 40 HE3 -0.02 0.02 -0.01 -0.04 2.99 2.94 1r2cM1 ILE 41 H 0.04 0.46 -0.06 -0.55 8.25 8.14 1r2cM1 ILE 41 HA 0.06 0.17 0.90 -0.75 4.18 4.56 1r2cM1 ILE 41 HB 0.04 -0.03 0.22 -0.04 1.89 2.08 1r2cM1 ILE 41 HG12 0.06 -0.06 0.01 -0.04 1.49 1.46 1r2cM1 ILE 41 HG13 0.07 0.05 0.06 -0.04 1.21 1.35 1r2cM1 ILE 41 HG23 0.10 0.03 -0.03 -0.04 0.93 0.99 1r2cM1 ILE 41 HD13 0.04 0.00 -0.15 -0.04 0.88 0.73 1r2cM1 GLY 42 H 0.01 0.33 -0.22 -0.55 8.43 8.00 1r2cM1 GLY 42 HA2 0.00 0.03 0.32 -0.51 4.01 3.85 1r2cM1 GLY 42 HA3 0.01 0.04 0.33 -0.51 4.01 3.88 1r2cM1 ASP 43 H -0.01 0.17 0.10 -0.55 8.40 8.10 1r2cM1 ASP 43 HA -0.01 0.10 0.74 -0.75 4.63 4.71 1r2cM1 ASP 43 HB2 -0.01 0.01 0.09 -0.04 2.71 2.75 1r2cM1 ASP 43 HB3 -0.04 0.06 0.14 -0.04 2.70 2.82 1r2cM1 ALA 44 H 0.01 0.17 0.19 -0.55 8.40 8.22 1r2cM1 ALA 44 HA -0.02 0.07 0.41 -0.75 4.34 4.05 1r2cM1 ALA 44 HB3 0.11 -0.05 0.13 -0.04 1.41 1.56 1r2cM1 GLN 45 H -0.15 0.01 -0.16 -0.55 8.47 7.61 1r2cM1 GLN 45 HA -0.75 0.14 0.43 -0.75 4.36 3.42 1r2cM1 GLN 45 HB2 -0.52 -0.08 0.03 -0.04 2.15 1.55 1r2cM1 GLN 45 HB3 -0.24 -0.03 0.06 -0.04 2.02 1.76 1r2cM1 GLN 45 HG2 -0.40 0.18 -0.40 -0.04 2.40 1.74 1r2cM1 GLN 45 HG3 -0.78 -0.06 -0.16 -0.04 2.39 1.35 1r2cM1 GLN 45 HE21 -0.01 -0.05 0.04 -0.04 6.97 6.91 1r2cM1 GLN 45 HE22 -0.27 0.75 0.16 -0.04 7.69 8.29 1r2cM1 ILE 46 H -0.70 0.75 0.40 -0.55 8.25 8.14 1r2cM1 ILE 46 HA -0.30 0.11 0.95 -0.75 4.18 4.19 1r2cM1 ILE 46 HB -1.65 -0.01 0.20 -0.04 1.89 0.38 1r2cM1 ILE 46 HG12 -0.23 0.05 -0.12 -0.04 1.49 1.15 1r2cM1 ILE 46 HG13 -0.41 0.18 -0.08 -0.04 1.21 0.86 1r2cM1 ILE 46 HG23 -0.18 -0.02 -0.08 -0.04 0.93 0.60 1r2cM1 ILE 46 HD13 -0.09 -0.04 -0.03 -0.04 0.88 0.68 1r2cM1 GLY 47 H -0.16 0.13 0.09 -0.55 8.43 7.94 1r2cM1 GLY 47 HA2 -0.06 0.15 0.20 -0.51 4.01 3.79 1r2cM1 GLY 47 HA3 -0.09 0.06 0.54 -0.51 4.01 4.00 1r2cM1 PRO 48 HA -0.02 0.02 0.20 -0.51 4.44 4.13 1r2cM1 PRO 48 HB2 0.01 0.09 -0.20 -0.04 2.28 2.14 1r2cM1 PRO 48 HB3 -0.02 0.21 -0.25 -0.04 2.02 1.92 1r2cM1 PRO 48 HG2 0.05 -0.06 -0.19 -0.04 2.03 1.79 1r2cM1 PRO 48 HG3 0.09 0.06 -0.06 -0.04 2.03 2.08 1r2cM1 PRO 48 HD2 -0.02 0.10 0.27 -0.04 3.68 3.99 1r2cM1 PRO 48 HD3 -0.32 0.08 0.08 -0.04 3.65 3.45 1r2cM1 ILE 49 H 0.01 0.70 0.24 -0.55 8.25 8.65 1r2cM1 ILE 49 HA 0.05 0.15 0.91 -0.75 4.18 4.54 1r2cM1 ILE 49 HB 0.05 -0.01 -0.14 -0.04 1.89 1.74 1r2cM1 ILE 49 HG12 0.11 0.20 -0.15 -0.04 1.49 1.61 1r2cM1 ILE 49 HG13 0.10 -0.03 0.10 -0.04 1.21 1.34 1r2cM1 ILE 49 HG23 0.02 0.00 -0.02 -0.04 0.93 0.89 1r2cM1 ILE 49 HD13 0.18 -0.02 -0.02 -0.04 0.88 0.97 1r2cM1 TYR 50 H 0.14 0.14 0.12 -0.55 8.29 8.14 1r2cM1 TYR 50 HA -0.02 0.07 0.49 -0.75 4.56 4.34 1r2cM1 TYR 50 HB2 -0.08 0.04 0.05 -0.04 3.06 3.04 1r2cM1 TYR 50 HB3 -0.08 0.00 0.09 -0.04 2.98 2.96 1r2cM1 TYR 50 HD2 -0.09 0.07 -0.23 -0.04 7.15 6.86 1r2cM1 TYR 50 HE2 -0.03 -0.12 -0.04 -0.04 6.85 6.62 1r2cM1 LEU 51 H -0.60 0.46 0.27 -0.55 8.37 7.95 1r2cM1 LEU 51 HA -0.10 0.16 0.80 -0.75 4.35 4.46 1r2cM1 LEU 51 HB2 -0.23 0.26 0.33 -0.04 1.64 1.96 1r2cM1 LEU 51 HB3 -0.19 -0.12 0.20 -0.04 1.64 1.49 1r2cM1 LEU 51 HG -0.10 -0.03 0.02 -0.04 1.64 1.50 1r2cM1 LEU 51 HD13 -0.09 0.02 -0.05 -0.04 0.93 0.76 1r2cM1 LEU 51 HD23 -0.09 -0.01 0.02 -0.04 0.89 0.77 1r2cM1 GLY 52 H -0.45 0.12 0.17 -0.55 8.43 7.72 1r2cM1 GLY 52 HA2 -0.05 0.03 0.40 -0.51 4.01 3.88 1r2cM1 GLY 52 HA3 0.11 0.06 0.37 -0.51 4.01 4.05 1r2cM1 ALA 53 H 0.13 0.14 0.16 -0.55 8.40 8.29 1r2cM1 ALA 53 HA 0.05 0.14 0.47 -0.75 4.34 4.24 1r2cM1 ALA 53 HB3 0.08 0.03 0.10 -0.04 1.41 1.57 1r2cM1 SER 54 H 0.15 0.06 -0.01 -0.55 8.46 8.11 1r2cM1 SER 54 HA 0.16 0.09 0.40 -0.75 4.49 4.39 1r2cM1 SER 54 HB2 0.09 0.21 0.01 -0.04 3.95 4.23 1r2cM1 SER 54 HB3 0.13 0.01 0.06 -0.04 3.93 4.08 1r2cM1 GLY 55 H 0.12 0.16 -0.15 -0.55 8.43 8.01 1r2cM1 GLY 55 HA2 0.29 0.00 0.33 -0.51 4.01 4.12 1r2cM1 GLY 55 HA3 0.21 0.31 0.32 -0.51 4.01 4.35 1r2cM1 ILE 56 H 0.13 0.38 -0.35 -0.55 8.25 7.85 1r2cM1 ILE 56 HA 0.18 0.03 0.42 -0.75 4.18 4.06 1r2cM1 ILE 56 HB 0.04 0.04 0.14 -0.04 1.89 2.07 1r2cM1 ILE 56 HG12 -0.02 -0.03 -0.01 -0.04 1.49 1.39 1r2cM1 ILE 56 HG13 0.02 0.31 0.00 -0.04 1.21 1.50 1r2cM1 ILE 56 HG23 -0.01 -0.01 -0.09 -0.04 0.93 0.78 1r2cM1 ILE 56 HD13 -0.02 -0.04 -0.07 -0.04 0.88 0.70 1r2cM1 ALA 57 H 0.10 0.76 0.02 -0.55 8.40 8.73 1r2cM1 ALA 57 HA -0.26 -0.02 0.41 -0.75 4.34 3.72 1r2cM1 ALA 57 HB3 0.16 0.00 0.12 -0.04 1.41 1.66 1r2cM1 ALA 58 H 0.25 0.64 -0.31 -0.55 8.40 8.43 1r2cM1 ALA 58 HA 0.33 -0.01 0.49 -0.75 4.34 4.40 1r2cM1 ALA 58 HB3 0.41 0.05 0.11 -0.04 1.41 1.94 1r2cM1 PHE 59 H 0.41 0.61 0.08 -0.55 8.34 8.89 1r2cM1 PHE 59 HA 0.05 -0.03 0.38 -0.75 4.62 4.26 1r2cM1 PHE 59 HB2 0.04 0.08 0.17 -0.04 3.15 3.40 1r2cM1 PHE 59 HB3 0.01 -0.05 0.01 -0.04 3.06 3.00 1r2cM1 PHE 59 HD2 0.10 0.23 0.06 -0.04 7.28 7.62 1r2cM1 PHE 59 HE2 0.22 -0.01 0.00 -0.04 7.38 7.55 1r2cM1 PHE 59 HZ 0.13 -0.00 -0.01 -0.04 7.32 7.40 1r2cM1 ALA 60 H 0.05 0.72 -0.26 -0.55 8.40 8.37 1r2cM1 ALA 60 HA -0.05 -0.03 0.37 -0.75 4.34 3.88 1r2cM1 ALA 60 HB3 -0.35 0.03 0.12 -0.04 1.41 1.17 1r2cM1 PHE 61 H -0.23 0.70 0.05 -0.55 8.34 8.30 1r2cM1 PHE 61 HA 0.08 -0.03 0.45 -0.75 4.62 4.37 1r2cM1 PHE 61 HB2 0.12 0.04 0.20 -0.04 3.15 3.46 1r2cM1 PHE 61 HB3 0.22 0.09 0.14 -0.04 3.06 3.46 1r2cM1 PHE 61 HD2 0.25 -0.02 -0.12 -0.04 7.28 7.35 1r2cM1 PHE 61 HE2 0.14 -0.04 -0.03 -0.04 7.38 7.41 1r2cM1 PHE 61 HZ 0.09 -0.03 -0.00 -0.04 7.32 7.34 1r2cM1 GLY 62 H 0.15 0.81 0.07 -0.55 8.43 8.92 1r2cM1 GLY 62 HA2 0.04 -0.00 0.33 -0.51 4.01 3.87 1r2cM1 GLY 62 HA3 -0.02 0.06 0.31 -0.51 4.01 3.85 1r2cM1 SER 63 H 0.02 0.68 -0.21 -0.55 8.46 8.41 1r2cM1 SER 63 HA -0.01 -0.05 0.41 -0.75 4.49 4.09 1r2cM1 SER 63 HB2 -0.01 0.19 0.20 -0.04 3.95 4.29 1r2cM1 SER 63 HB3 -0.01 -0.10 0.02 -0.04 3.93 3.81 1r2cM1 THR 64 H -0.08 0.59 0.00 -0.55 8.28 8.23 1r2cM1 THR 64 HA -0.23 -0.04 0.38 -0.75 4.39 3.75 1r2cM1 THR 64 HB -0.58 0.10 0.17 -0.04 4.32 3.97 1r2cM1 THR 64 HG23 -0.96 -0.03 -0.00 -0.04 1.22 0.19 1r2cM1 ALA 65 H -0.05 0.69 -0.29 -0.55 8.40 8.20 1r2cM1 ALA 65 HA -0.06 -0.05 0.43 -0.75 4.34 3.90 1r2cM1 ALA 65 HB3 -0.03 0.04 0.06 -0.04 1.41 1.44 1r2cM1 ILE 66 H -0.07 0.83 0.16 -0.55 8.25 8.63 1r2cM1 ILE 66 HA -0.09 -0.03 0.42 -0.75 4.18 3.72 1r2cM1 ILE 66 HB -0.02 0.06 0.18 -0.04 1.89 2.08 1r2cM1 ILE 66 HG12 -0.04 -0.05 0.04 -0.04 1.49 1.40 1r2cM1 ILE 66 HG13 -0.05 0.22 0.09 -0.04 1.21 1.43 1r2cM1 ILE 66 HG23 0.03 -0.03 -0.09 -0.04 0.93 0.80 1r2cM1 ILE 66 HD13 -0.02 -0.02 -0.05 -0.04 0.88 0.74 1r2cM1 LEU 67 H -0.07 0.92 -0.13 -0.55 8.37 8.54 1r2cM1 LEU 67 HA 0.05 -0.05 0.40 -0.75 4.35 3.99 1r2cM1 LEU 67 HB2 -0.14 0.16 0.16 -0.04 1.64 1.79 1r2cM1 LEU 67 HB3 -0.15 -0.08 -0.01 -0.04 1.64 1.37 1r2cM1 LEU 67 HG -0.04 0.13 -0.05 -0.04 1.64 1.63 1r2cM1 LEU 67 HD13 -0.09 -0.02 -0.04 -0.04 0.93 0.74 1r2cM1 LEU 67 HD23 0.05 -0.03 -0.02 -0.04 0.89 0.85 1r2cM1 ILE 68 H -0.13 0.67 -0.01 -0.55 8.25 8.23 1r2cM1 ILE 68 HA -0.24 -0.04 0.37 -0.75 4.18 3.52 1r2cM1 ILE 68 HB -0.08 0.15 0.17 -0.04 1.89 2.08 1r2cM1 ILE 68 HG12 -0.05 -0.09 0.05 -0.04 1.49 1.35 1r2cM1 ILE 68 HG13 -0.14 0.35 0.15 -0.04 1.21 1.53 1r2cM1 ILE 68 HG23 0.07 -0.02 -0.07 -0.04 0.93 0.87 1r2cM1 ILE 68 HD13 0.19 -0.03 -0.10 -0.04 0.88 0.89 1r2cM1 ILE 69 H -0.12 0.48 -0.28 -0.55 8.25 7.78 1r2cM1 ILE 69 HA -0.06 0.01 0.42 -0.75 4.18 3.80 1r2cM1 ILE 69 HB -0.08 0.09 0.18 -0.04 1.89 2.03 1r2cM1 ILE 69 HG12 -0.58 -0.06 0.01 -0.04 1.49 0.82 1r2cM1 ILE 69 HG13 -0.35 0.34 0.10 -0.04 1.21 1.26 1r2cM1 ILE 69 HG23 -0.02 -0.03 -0.12 -0.04 0.93 0.72 1r2cM1 ILE 69 HD13 -0.61 -0.03 -0.07 -0.04 0.88 0.12 1r2cM1 LEU 70 H 0.06 0.70 0.11 -0.55 8.37 8.69 1r2cM1 LEU 70 HA 0.23 -0.01 0.36 -0.75 4.35 4.19 1r2cM1 LEU 70 HB2 0.15 0.08 0.16 -0.04 1.64 1.99 1r2cM1 LEU 70 HB3 0.15 -0.06 -0.01 -0.04 1.64 1.68 1r2cM1 LEU 70 HG 0.13 0.16 0.09 -0.04 1.64 1.98 1r2cM1 LEU 70 HD13 0.12 -0.02 -0.04 -0.04 0.93 0.95 1r2cM1 LEU 70 HD23 0.43 -0.02 -0.01 -0.04 0.89 1.25 1r2cM1 PHE 71 H 0.26 0.70 -0.10 -0.55 8.34 8.64 1r2cM1 PHE 71 HA 0.01 -0.04 0.36 -0.75 4.62 4.20 1r2cM1 PHE 71 HB2 -0.17 0.25 0.12 -0.04 3.15 3.31 1r2cM1 PHE 71 HB3 -0.19 -0.02 -0.07 -0.04 3.06 2.74 1r2cM1 PHE 71 HD2 -0.05 0.03 0.01 -0.04 7.28 7.23 1r2cM1 PHE 71 HE2 -0.07 -0.01 -0.02 -0.04 7.38 7.24 1r2cM1 PHE 71 HZ -0.07 -0.01 -0.02 -0.04 7.32 7.18 1r2cM1 ASN 72 H 0.02 0.46 -0.37 -0.55 8.53 8.09 1r2cM1 ASN 72 HA -0.04 -0.01 0.52 -0.75 4.76 4.48 1r2cM1 ASN 72 HB2 0.00 0.23 0.24 -0.04 2.88 3.30 1r2cM1 ASN 72 HB3 0.06 -0.01 0.02 -0.04 2.79 2.82 1r2cM1 ASN 72 HD21 -0.79 -0.15 0.02 -0.04 7.03 6.07 1r2cM1 ASN 72 HD22 -0.21 0.63 0.14 -0.04 7.74 8.25 1r2cM1 MET 73 H 0.08 0.53 -0.05 -0.55 8.47 8.49 1r2cM1 MET 73 HA 0.07 0.05 0.42 -0.75 4.52 4.30 1r2cM1 MET 73 HB2 0.40 0.03 0.12 -0.04 2.15 2.67 1r2cM1 MET 73 HB3 0.07 -0.04 -0.02 -0.04 2.03 2.01 1r2cM1 MET 73 HG2 0.01 -0.04 -0.21 -0.04 2.63 2.35 1r2cM1 MET 73 HG3 0.09 0.28 -0.21 -0.04 2.56 2.68 1r2cM1 MET 73 HE3 -0.23 -0.01 -0.27 -0.04 2.10 1.55 1r2cM1 ALA 74 H 0.11 1.03 0.03 -0.55 8.40 9.02 1r2cM1 ALA 74 HA 0.14 -0.06 0.31 -0.75 4.34 3.97 1r2cM1 ALA 74 HB3 -0.30 0.02 0.05 -0.04 1.41 1.14 1r2cM1 ALA 75 H -0.35 0.65 -0.26 -0.55 8.40 7.90 1r2cM1 ALA 75 HA -1.28 -0.06 0.36 -0.75 4.34 2.61 1r2cM1 ALA 75 HB3 -0.09 0.05 0.13 -0.04 1.41 1.46 1r2cM1 GLU 76 H -0.08 0.46 -0.48 -0.55 8.60 7.96 1r2cM1 GLU 76 HA 0.04 0.02 0.50 -0.75 4.29 4.10 1r2cM1 GLU 76 HB2 0.06 0.27 0.33 -0.04 2.09 2.71 1r2cM1 GLU 76 HB3 0.08 -0.08 -0.01 -0.04 1.99 1.95 1r2cM1 GLU 76 HG2 0.12 -0.06 0.13 -0.04 2.34 2.49 1r2cM1 GLU 76 HG3 0.12 0.08 0.13 -0.04 2.34 2.63 1r2cM1 VAL 77 H -0.01 0.40 -0.10 -0.55 8.24 7.98 1r2cM1 VAL 77 HA 0.07 0.17 0.67 -0.75 4.13 4.28 1r2cM1 VAL 77 HB 0.12 -0.13 0.09 -0.04 2.12 2.16 1r2cM1 VAL 77 HG13 0.10 0.03 -0.22 -0.04 0.97 0.84 1r2cM1 VAL 77 HG23 0.21 -0.01 -0.04 -0.04 0.95 1.07 1r2cM1 HIS 78 H -0.06 0.38 -0.82 -0.55 8.41 7.36 1r2cM1 HIS 78 HA -0.05 0.10 0.29 -0.75 4.63 4.22 1r2cM1 HIS 78 HB2 0.03 0.05 -0.16 -0.04 3.26 3.13 1r2cM1 HIS 78 HB3 0.05 0.07 0.03 -0.04 3.20 3.31 1r2cM1 HIS 78 HD2 0.07 0.04 0.04 -0.04 6.97 7.08 1r2cM1 HIS 78 HE1 0.07 -0.03 0.03 -0.04 7.75 7.77 1r2cM1 PHE 79 H -0.38 0.64 -0.29 -0.55 8.34 7.76 1r2cM1 PHE 79 HA -0.07 -0.04 0.15 -0.75 4.62 3.91 1r2cM1 PHE 79 HB2 -0.12 0.26 -0.11 -0.04 3.15 3.14 1r2cM1 PHE 79 HB3 -0.13 -0.07 0.13 -0.04 3.06 2.96 1r2cM1 PHE 79 HD2 -0.30 0.02 -0.21 -0.04 7.28 6.76 1r2cM1 PHE 79 HE2 -0.30 0.00 -0.04 -0.04 7.38 7.01 1r2cM1 PHE 79 HZ -0.08 0.01 -0.02 -0.04 7.32 7.19 1r2cM1 ASP 80 H 0.13 0.49 -0.46 -0.55 8.40 8.01 1r2cM1 ASP 80 HA 0.11 0.15 0.59 -0.75 4.63 4.72 1r2cM1 ASP 80 HB2 0.13 0.16 0.10 -0.04 2.71 3.06 1r2cM1 ASP 80 HB3 0.11 0.01 0.24 -0.04 2.70 3.02 1r2cM1 PRO 81 HA 0.09 0.03 0.30 -0.51 4.44 4.35 1r2cM1 PRO 81 HB2 0.02 -0.02 0.07 -0.04 2.28 2.31 1r2cM1 PRO 81 HB3 -0.00 0.03 0.07 -0.04 2.02 2.08 1r2cM1 PRO 81 HG2 -0.00 0.02 0.12 -0.04 2.03 2.13 1r2cM1 PRO 81 HG3 -0.02 0.06 0.11 -0.04 2.03 2.14 1r2cM1 PRO 81 HD2 0.05 0.01 0.26 -0.04 3.68 3.95 1r2cM1 PRO 81 HD3 0.06 0.80 0.61 -0.04 3.65 5.09 1r2cM1 LEU 82 H 0.08 0.12 -0.28 -0.55 8.37 7.74 1r2cM1 LEU 82 HA 0.11 0.12 0.53 -0.75 4.35 4.35 1r2cM1 LEU 82 HB2 0.04 0.01 0.08 -0.04 1.64 1.73 1r2cM1 LEU 82 HB3 0.06 0.01 0.05 -0.04 1.64 1.72 1r2cM1 LEU 82 HG 0.08 0.00 -0.07 -0.04 1.64 1.61 1r2cM1 LEU 82 HD13 0.04 0.01 0.03 -0.04 0.93 0.97 1r2cM1 LEU 82 HD23 0.03 0.01 -0.01 -0.04 0.89 0.87 1r2cM1 GLN 83 H 0.11 0.21 -0.01 -0.55 8.47 8.24 1r2cM1 GLN 83 HA 0.08 0.05 0.51 -0.75 4.36 4.25 1r2cM1 GLN 83 HB2 0.10 0.14 0.17 -0.04 2.15 2.52 1r2cM1 GLN 83 HB3 0.07 0.02 0.07 -0.04 2.02 2.13 1r2cM1 GLN 83 HG2 0.06 -0.06 0.07 -0.04 2.40 2.43 1r2cM1 GLN 83 HG3 0.04 0.07 0.06 -0.04 2.39 2.52 1r2cM1 GLN 83 HE21 0.02 0.03 -0.05 -0.04 6.97 6.92 1r2cM1 GLN 83 HE22 0.03 -0.03 -0.04 -0.04 7.69 7.61 1r2cM1 PHE 84 H 0.28 0.54 -0.22 -0.55 8.34 8.39 1r2cM1 PHE 84 HA 0.12 0.06 0.26 -0.75 4.62 4.30 1r2cM1 PHE 84 HB2 0.06 -0.02 -0.14 -0.04 3.15 3.02 1r2cM1 PHE 84 HB3 0.11 0.10 -0.02 -0.04 3.06 3.20 1r2cM1 PHE 84 HD2 0.09 0.03 -0.23 -0.04 7.28 7.13 1r2cM1 PHE 84 HE2 0.05 -0.01 -0.09 -0.04 7.38 7.29 1r2cM1 PHE 84 HZ 0.23 -0.02 -0.05 -0.04 7.32 7.44 1r2cM1 PHE 85 H 0.42 0.39 -0.26 -0.55 8.34 8.33 1r2cM1 PHE 85 HA -0.00 0.02 0.43 -0.75 4.62 4.32 1r2cM1 PHE 85 HB2 0.13 0.05 0.14 -0.04 3.15 3.42 1r2cM1 PHE 85 HB3 0.06 0.10 0.12 -0.04 3.06 3.30 1r2cM1 PHE 85 HD2 0.01 0.01 -0.04 -0.04 7.28 7.21 1r2cM1 PHE 85 HE2 -0.04 -0.01 0.00 -0.04 7.38 7.29 1r2cM1 PHE 85 HZ -0.03 -0.01 0.01 -0.04 7.32 7.24 1r2cM1 ARG 86 H 0.17 0.30 -0.30 -0.55 8.46 8.08 1r2cM1 ARG 86 HA -0.00 0.05 0.54 -0.75 4.34 4.18 1r2cM1 ARG 86 HB2 0.08 0.02 0.12 -0.04 1.90 2.08 1r2cM1 ARG 86 HB3 0.05 -0.02 0.24 -0.04 1.80 2.03 1r2cM1 ARG 86 HG2 -0.08 0.00 -0.22 -0.04 1.67 1.33 1r2cM1 ARG 86 HG3 -0.01 -0.04 0.02 -0.04 1.67 1.60 1r2cM1 ARG 86 HD2 -0.00 -0.04 -0.02 -0.04 3.22 3.11 1r2cM1 ARG 86 HD3 -0.05 0.02 -0.03 -0.04 3.22 3.12 1r2cM1 GLN 87 H 0.05 0.95 0.04 -0.55 8.47 8.97 1r2cM1 GLN 87 HA 0.09 0.08 0.66 -0.75 4.36 4.44 1r2cM1 GLN 87 HB2 0.06 0.11 0.02 -0.04 2.15 2.30 1r2cM1 GLN 87 HB3 0.09 -0.07 0.11 -0.04 2.02 2.11 1r2cM1 GLN 87 HG2 -0.15 -0.02 -0.02 -0.04 2.40 2.16 1r2cM1 GLN 87 HG3 -0.03 -0.05 0.03 -0.04 2.39 2.30 1r2cM1 GLN 87 HE21 0.01 0.01 0.01 -0.04 6.97 6.96 1r2cM1 GLN 87 HE22 -0.01 -0.05 0.03 -0.04 7.69 7.62 1r2cM1 PHE 88 H 0.10 0.25 -0.59 -0.55 8.34 7.55 1r2cM1 PHE 88 HA -0.26 0.05 0.33 -0.75 4.62 3.99 1r2cM1 PHE 88 HB2 -0.30 0.18 0.15 -0.04 3.15 3.13 1r2cM1 PHE 88 HB3 -0.09 -0.09 0.11 -0.04 3.06 2.95 1r2cM1 PHE 88 HD2 -0.37 0.02 -0.03 -0.04 7.28 6.87 1r2cM1 PHE 88 HE2 -0.04 -0.03 -0.04 -0.04 7.38 7.23 1r2cM1 PHE 88 HZ -0.02 -0.02 -0.04 -0.04 7.32 7.20 1r2cM1 PHE 89 H 0.36 0.17 -0.06 -0.55 8.34 8.26 1r2cM1 PHE 89 HA -0.61 -0.05 0.47 -0.75 4.62 3.68 1r2cM1 PHE 89 HB2 -0.59 0.05 0.08 -0.04 3.15 2.65 1r2cM1 PHE 89 HB3 -2.22 -0.03 0.02 -0.04 3.06 0.79 1r2cM1 PHE 89 HD2 -0.87 -0.04 0.03 -0.04 7.28 6.37 1r2cM1 PHE 89 HE2 -0.23 0.01 0.01 -0.04 7.38 7.14 1r2cM1 PHE 89 HZ -0.18 0.01 0.01 -0.04 7.32 7.12 1r2cM1 TRP 90 H 0.80 0.22 -0.36 -0.55 7.97 8.09 1r2cM1 TRP 90 HA 0.35 0.01 0.57 -0.75 4.62 4.79 1r2cM1 TRP 90 HB2 0.13 0.12 0.09 -0.04 3.23 3.53 1r2cM1 TRP 90 HB3 0.16 -0.02 0.08 -0.04 3.23 3.42 1r2cM1 TRP 90 HD1 0.15 0.01 0.02 -0.04 7.22 7.36 1r2cM1 TRP 90 HE1 0.04 -0.00 -0.01 -0.04 10.20 10.19 1r2cM1 TRP 90 HE3 0.14 -0.00 -0.07 -0.04 7.59 7.62 1r2cM1 TRP 90 HZ2 0.20 -0.00 -0.01 -0.04 7.44 7.59 1r2cM1 TRP 90 HZ3 -0.02 0.05 0.04 -0.04 7.13 7.16 1r2cM1 TRP 90 HH2 0.23 -0.00 0.01 -0.04 7.19 7.39 1r2cM1 LEU 91 H 0.04 0.53 -0.17 -0.55 8.37 8.22 1r2cM1 LEU 91 HA 0.13 0.08 0.69 -0.75 4.35 4.50 1r2cM1 LEU 91 HB2 -0.21 0.05 0.12 -0.04 1.64 1.56 1r2cM1 LEU 91 HB3 -0.01 -0.07 0.09 -0.04 1.64 1.61 1r2cM1 LEU 91 HG 0.04 0.32 -0.18 -0.04 1.64 1.79 1r2cM1 LEU 91 HD13 -0.07 -0.00 -0.13 -0.04 0.93 0.69 1r2cM1 LEU 91 HD23 0.12 -0.01 -0.13 -0.04 0.89 0.82 1r2cM1 GLY 92 H 0.05 0.25 0.25 -0.55 8.43 8.44 1r2cM1 GLY 92 HA2 -0.11 0.10 0.63 -0.51 4.01 4.11 1r2cM1 GLY 92 HA3 -0.28 0.03 0.32 -0.51 4.01 3.57 1r2cM1 LEU 93 H -0.03 0.64 0.29 -0.55 8.37 8.72 1r2cM1 LEU 93 HA 0.13 0.12 0.85 -0.75 4.35 4.69 1r2cM1 LEU 93 HB2 0.11 0.02 0.05 -0.04 1.64 1.78 1r2cM1 LEU 93 HB3 0.36 -0.07 0.24 -0.04 1.64 2.13 1r2cM1 LEU 93 HG 0.51 0.01 -0.19 -0.04 1.64 1.93 1r2cM1 LEU 93 HD13 0.28 -0.02 -0.00 -0.04 0.93 1.14 1r2cM1 LEU 93 HD23 0.04 0.00 -0.25 -0.04 0.89 0.65 1r2cM1 TYR 94 H 0.25 0.15 0.07 -0.55 8.29 8.21 1r2cM1 TYR 94 HA -0.00 0.16 0.73 -0.75 4.56 4.70 1r2cM1 TYR 94 HB2 0.07 -0.07 0.05 -0.04 3.06 3.06 1r2cM1 TYR 94 HB3 -0.02 0.21 0.01 -0.04 2.98 3.13 1r2cM1 TYR 94 HD2 0.06 0.06 -0.04 -0.04 7.15 7.19 1r2cM1 TYR 94 HE2 0.09 0.01 -0.06 -0.04 6.85 6.85 1r2cM1 PRO 95 HA -0.57 -0.02 0.41 -0.51 4.44 3.75 1r2cM1 PRO 95 HB2 -0.46 0.15 -0.12 -0.04 2.28 1.80 1r2cM1 PRO 95 HB3 -1.52 0.06 0.00 -0.04 2.02 0.52 1r2cM1 PRO 95 HG2 -0.68 0.42 -0.32 -0.04 2.03 1.41 1r2cM1 PRO 95 HG3 -2.36 -0.02 -0.32 -0.04 2.03 -0.71 1r2cM1 PRO 95 HD2 -0.12 0.16 0.05 -0.04 3.68 3.73 1r2cM1 PRO 95 HD3 -0.28 0.01 0.12 -0.04 3.65 3.46 1r2cM1 PRO 96 HA 0.11 -0.11 0.06 -0.51 4.44 4.00 1r2cM1 PRO 96 HB2 0.24 0.10 -0.01 -0.04 2.28 2.56 1r2cM1 PRO 96 HB3 0.31 0.21 0.19 -0.04 2.02 2.69 1r2cM1 PRO 96 HG2 0.17 -0.03 -0.06 -0.04 2.03 2.06 1r2cM1 PRO 96 HG3 0.37 0.04 0.04 -0.04 2.03 2.43 1r2cM1 PRO 96 HD2 -0.14 0.19 -0.04 -0.04 3.68 3.66 1r2cM1 PRO 96 HD3 0.13 0.05 0.17 -0.04 3.65 3.95 1r2cM1 LYS 97 H 0.05 -0.00 0.15 -0.55 8.42 8.06 1r2cM1 LYS 97 HA -0.03 0.20 0.58 -0.75 4.32 4.32 1r2cM1 LYS 97 HB2 0.00 -0.10 0.12 -0.04 1.87 1.86 1r2cM1 LYS 97 HB3 -0.03 -0.01 0.01 -0.04 1.79 1.72 1r2cM1 LYS 97 HG2 -0.06 0.07 0.01 -0.04 1.46 1.44 1r2cM1 LYS 97 HG3 0.01 0.03 0.03 -0.04 1.46 1.48 1r2cM1 LYS 97 HD2 0.00 -0.04 0.03 -0.04 1.69 1.64 1r2cM1 LYS 97 HD3 -0.04 -0.01 0.01 -0.04 1.68 1.59 1r2cM1 LYS 97 HE2 -0.23 0.03 -0.00 -0.04 2.99 2.75 1r2cM1 LYS 97 HE3 -0.07 0.00 0.02 -0.04 2.99 2.89 1r2cM1 ALA 98 H -0.10 -0.05 0.00 -0.55 8.40 7.71 1r2cM1 ALA 98 HA -0.17 0.14 0.60 -0.75 4.34 4.17 1r2cM1 ALA 98 HB3 -0.39 -0.01 0.04 -0.04 1.41 1.01 1r2cM1 GLN 99 H -0.26 0.14 0.13 -0.55 8.47 7.94 1r2cM1 GLN 99 HA -0.15 0.14 0.81 -0.75 4.36 4.40 1r2cM1 GLN 99 HB2 -0.10 0.07 0.08 -0.04 2.15 2.16 1r2cM1 GLN 99 HB3 -0.10 -0.01 0.19 -0.04 2.02 2.05 1r2cM1 GLN 99 HG2 -0.05 0.05 0.02 -0.04 2.40 2.38 1r2cM1 GLN 99 HG3 -0.04 -0.05 -0.09 -0.04 2.39 2.18 1r2cM1 GLN 99 HE21 -0.04 0.04 -0.01 -0.04 6.97 6.92 1r2cM1 GLN 99 HE22 -0.05 0.02 0.00 -0.04 7.69 7.62 1r2cM1 TYR 100 H 0.02 0.22 0.20 -0.55 8.29 8.18 1r2cM1 TYR 100 HA 0.04 0.16 0.79 -0.75 4.56 4.80 1r2cM1 TYR 100 HB2 0.14 0.15 -0.11 -0.04 3.06 3.20 1r2cM1 TYR 100 HB3 0.08 -0.03 0.02 -0.04 2.98 3.01 1r2cM1 TYR 100 HD2 0.06 0.05 -0.05 -0.04 7.15 7.17 1r2cM1 TYR 100 HE2 0.01 0.04 0.01 -0.04 6.85 6.87 1r2cM1 GLY 101 H 0.04 -0.02 0.13 -0.55 8.43 8.04 1r2cM1 GLY 101 HA2 -0.03 0.29 0.53 -0.51 4.01 4.30 1r2cM1 GLY 101 HA3 0.02 -0.01 0.56 -0.51 4.01 4.07 1r2cM1 MET 102 H -0.00 0.10 0.24 -0.55 8.47 8.26 1r2cM1 MET 102 HA -0.30 0.11 0.64 -0.75 4.52 4.22 1r2cM1 MET 102 HB2 -0.04 -0.03 0.09 -0.04 2.15 2.14 1r2cM1 MET 102 HB3 -0.00 -0.05 0.07 -0.04 2.03 2.01 1r2cM1 MET 102 HG2 -0.21 0.05 -0.07 -0.04 2.63 2.36 1r2cM1 MET 102 HG3 -0.19 0.02 0.03 -0.04 2.56 2.37 1r2cM1 MET 102 HE3 -0.54 -0.01 -0.02 -0.04 2.10 1.49 1r2cM1 GLY 103 H 0.15 0.35 -0.04 -0.55 8.43 8.35 1r2cM1 GLY 103 HA2 0.13 -0.06 0.39 -0.51 4.01 3.96 1r2cM1 GLY 103 HA3 0.12 0.05 0.29 -0.51 4.01 3.97 1r2cM1 ILE 104 H 0.07 0.01 0.16 -0.55 8.25 7.94 1r2cM1 ILE 104 HA -0.03 0.11 0.42 -0.75 4.18 3.93 1r2cM1 ILE 104 HB -0.05 -0.08 0.11 -0.04 1.89 1.83 1r2cM1 ILE 104 HG12 -0.05 -0.05 0.04 -0.04 1.49 1.38 1r2cM1 ILE 104 HG13 -0.05 0.06 0.05 -0.04 1.21 1.24 1r2cM1 ILE 104 HG23 -0.15 0.02 -0.10 -0.04 0.93 0.65 1r2cM1 ILE 104 HD13 0.06 -0.00 0.09 -0.04 0.88 0.99 1r2cM1 PRO 105 HA -0.52 0.15 0.62 -0.51 4.44 4.19 1r2cM1 PRO 105 HB2 -0.03 0.36 0.14 -0.04 2.28 2.70 1r2cM1 PRO 105 HB3 0.15 0.03 0.07 -0.04 2.02 2.23 1r2cM1 PRO 105 HG2 -0.08 -0.15 -0.49 -0.04 2.03 1.27 1r2cM1 PRO 105 HG3 0.03 0.05 -0.03 -0.04 2.03 2.04 1r2cM1 PRO 105 HD2 -0.24 0.00 0.12 -0.04 3.68 3.52 1r2cM1 PRO 105 HD3 -0.13 0.28 0.16 -0.04 3.65 3.93 1r2cM1 PRO 106 HA -0.16 0.08 0.42 -0.51 4.44 4.27 1r2cM1 PRO 106 HB2 -0.59 -0.09 0.02 -0.04 2.28 1.57 1r2cM1 PRO 106 HB3 -0.03 0.03 0.09 -0.04 2.02 2.08 1r2cM1 PRO 106 HG2 -0.16 0.06 0.07 -0.04 2.03 1.96 1r2cM1 PRO 106 HG3 -0.22 0.08 0.07 -0.04 2.03 1.93 1r2cM1 PRO 106 HD2 -0.46 0.21 0.21 -0.04 3.68 3.59 1r2cM1 PRO 106 HD3 -1.02 0.21 0.20 -0.04 3.65 3.00 1r2cM1 LEU 107 H -0.12 0.21 0.17 -0.55 8.37 8.08 1r2cM1 LEU 107 HA -0.43 -0.04 0.42 -0.75 4.35 3.54 1r2cM1 LEU 107 HB2 -0.08 -0.01 0.15 -0.04 1.64 1.66 1r2cM1 LEU 107 HB3 -0.62 0.05 -0.01 -0.04 1.64 1.03 1r2cM1 LEU 107 HG -0.38 0.03 0.08 -0.04 1.64 1.33 1r2cM1 LEU 107 HD13 -0.30 0.02 0.01 -0.04 0.93 0.62 1r2cM1 LEU 107 HD23 -1.47 -0.01 -0.07 -0.04 0.89 -0.70 1r2cM1 HIS 108 H 0.25 0.09 -0.19 -0.55 8.41 8.02 1r2cM1 HIS 108 HA 0.30 0.14 0.49 -0.75 4.63 4.81 1r2cM1 HIS 108 HB2 0.16 0.07 0.13 -0.04 3.26 3.58 1r2cM1 HIS 108 HB3 0.17 -0.01 0.08 -0.04 3.20 3.39 1r2cM1 HIS 108 HD2 0.11 0.04 -0.11 -0.04 6.97 6.96 1r2cM1 HIS 108 HE1 0.03 0.01 0.00 -0.04 7.75 7.76 1r2cM1 ASP 109 H -0.24 0.34 -0.71 -0.55 8.40 7.25 1r2cM1 ASP 109 HA 0.07 0.23 0.71 -0.75 4.63 4.88 1r2cM1 ASP 109 HB2 -0.16 0.04 -0.15 -0.04 2.71 2.41 1r2cM1 ASP 109 HB3 -0.13 -0.02 0.14 -0.04 2.70 2.65 1r2cM1 GLY 110 H 0.17 0.19 -0.15 -0.55 8.43 8.09 1r2cM1 GLY 110 HA2 0.23 0.11 0.26 -0.51 4.01 4.10 1r2cM1 GLY 110 HA3 0.13 0.23 0.78 -0.51 4.01 4.64 1r2cM1 GLY 111 H -0.05 0.68 -0.39 -0.55 8.43 8.12 1r2cM1 GLY 111 HA2 -0.17 0.12 0.26 -0.51 4.01 3.72 1r2cM1 GLY 111 HA3 -0.27 -0.05 0.02 -0.51 4.01 3.19 1r2cM1 TRP 112 H 0.04 0.43 0.05 -0.55 7.97 7.95 1r2cM1 TRP 112 HA 0.02 0.03 0.44 -0.75 4.62 4.35 1r2cM1 TRP 112 HB2 0.12 0.05 0.11 -0.04 3.23 3.46 1r2cM1 TRP 112 HB3 0.06 0.04 -0.02 -0.04 3.23 3.27 1r2cM1 TRP 112 HD1 0.12 0.15 -0.03 -0.04 7.22 7.41 1r2cM1 TRP 112 HE1 0.10 -0.03 -0.08 -0.04 10.20 10.14 1r2cM1 TRP 112 HE3 0.01 -0.04 0.05 -0.04 7.59 7.58 1r2cM1 TRP 112 HZ2 0.04 -0.00 -0.02 -0.04 7.44 7.42 1r2cM1 TRP 112 HZ3 -0.01 -0.00 -0.00 -0.04 7.13 7.07 1r2cM1 TRP 112 HH2 -0.01 0.00 -0.01 -0.04 7.19 7.13 1r2cM1 TRP 113 H 0.45 0.10 -0.33 -0.55 7.97 7.65 1r2cM1 TRP 113 HA 0.21 -0.00 0.27 -0.75 4.62 4.34 1r2cM1 TRP 113 HB2 0.18 0.10 -0.30 -0.04 3.23 3.17 1r2cM1 TRP 113 HB3 0.09 0.07 0.01 -0.04 3.23 3.37 1r2cM1 TRP 113 HD1 0.28 0.12 -0.06 -0.04 7.22 7.53 1r2cM1 TRP 113 HE1 -0.46 0.50 -0.00 -0.04 10.20 10.20 1r2cM1 TRP 113 HE3 -0.09 0.05 -0.08 -0.04 7.59 7.44 1r2cM1 TRP 113 HZ2 -0.15 -0.02 0.07 -0.04 7.44 7.30 1r2cM1 TRP 113 HZ3 -0.12 -0.04 0.03 -0.04 7.13 6.96 1r2cM1 TRP 113 HH2 0.23 0.24 0.16 -0.04 7.19 7.78 1r2cM1 LEU 114 H 0.19 0.66 -0.22 -0.55 8.37 8.45 1r2cM1 LEU 114 HA -0.71 0.05 0.39 -0.75 4.35 3.33 1r2cM1 LEU 114 HB2 -0.16 0.11 0.12 -0.04 1.64 1.67 1r2cM1 LEU 114 HB3 -0.23 0.11 0.16 -0.04 1.64 1.64 1r2cM1 LEU 114 HG -0.44 -0.08 -0.12 -0.04 1.64 0.96 1r2cM1 LEU 114 HD13 -1.12 -0.00 0.04 -0.04 0.93 -0.19 1r2cM1 LEU 114 HD23 -0.53 -0.00 0.01 -0.04 0.89 0.33 1r2cM1 MET 115 H -0.09 0.48 -0.12 -0.55 8.47 8.19 1r2cM1 MET 115 HA -0.17 -0.00 0.47 -0.75 4.52 4.06 1r2cM1 MET 115 HB2 0.10 0.12 0.22 -0.04 2.15 2.55 1r2cM1 MET 115 HB3 0.24 -0.05 -0.04 -0.04 2.03 2.15 1r2cM1 MET 115 HG2 -0.01 -0.05 0.04 -0.04 2.63 2.56 1r2cM1 MET 115 HG3 -0.13 0.05 0.03 -0.04 2.56 2.47 1r2cM1 MET 115 HE3 0.42 -0.01 -0.02 -0.04 2.10 2.45 1r2cM1 ALA 116 H -0.04 0.75 -0.01 -0.55 8.40 8.54 1r2cM1 ALA 116 HA -0.04 -0.03 0.45 -0.75 4.34 3.96 1r2cM1 ALA 116 HB3 -0.48 0.04 0.09 -0.04 1.41 1.02 1r2cM1 GLY 117 H -0.42 0.65 -0.24 -0.55 8.43 7.87 1r2cM1 GLY 117 HA2 -0.04 -0.04 0.35 -0.51 4.01 3.77 1r2cM1 GLY 117 HA3 -0.46 0.16 0.29 -0.51 4.01 3.49 1r2cM1 LEU 118 H -0.28 0.41 -0.27 -0.55 8.37 7.69 1r2cM1 LEU 118 HA -0.25 0.02 0.50 -0.75 4.35 3.87 1r2cM1 LEU 118 HB2 -0.32 0.08 0.14 -0.04 1.64 1.50 1r2cM1 LEU 118 HB3 -0.44 0.16 0.26 -0.04 1.64 1.57 1r2cM1 LEU 118 HG -0.66 -0.06 -0.17 -0.04 1.64 0.72 1r2cM1 LEU 118 HD13 -0.26 -0.02 0.04 -0.04 0.93 0.66 1r2cM1 LEU 118 HD23 -0.37 -0.00 0.00 -0.04 0.89 0.48 1r2cM1 PHE 119 H -0.12 0.66 0.02 -0.55 8.34 8.34 1r2cM1 PHE 119 HA -0.13 -0.04 0.47 -0.75 4.62 4.17 1r2cM1 PHE 119 HB2 -0.07 0.13 0.15 -0.04 3.15 3.32 1r2cM1 PHE 119 HB3 0.03 0.08 0.05 -0.04 3.06 3.18 1r2cM1 PHE 119 HD2 0.09 0.03 -0.02 -0.04 7.28 7.33 1r2cM1 PHE 119 HE2 0.10 -0.02 -0.02 -0.04 7.38 7.39 1r2cM1 PHE 119 HZ 0.04 -0.01 -0.01 -0.04 7.32 7.29 1r2cM1 MET 120 H -0.01 0.70 -0.12 -0.55 8.47 8.49 1r2cM1 MET 120 HA 0.04 -0.01 0.41 -0.75 4.52 4.20 1r2cM1 MET 120 HB2 -0.02 0.03 0.07 -0.04 2.15 2.19 1r2cM1 MET 120 HB3 0.01 0.13 0.10 -0.04 2.03 2.22 1r2cM1 MET 120 HG2 0.02 -0.06 -0.20 -0.04 2.63 2.34 1r2cM1 MET 120 HG3 0.03 -0.05 0.02 -0.04 2.56 2.51 1r2cM1 MET 120 HE3 -0.04 0.02 -0.07 -0.04 2.10 1.97 1r2cM1 THR 121 H -0.08 0.55 -0.27 -0.55 8.28 7.93 1r2cM1 THR 121 HA -0.04 -0.00 0.41 -0.75 4.39 4.00 1r2cM1 THR 121 HB -0.14 0.18 0.25 -0.04 4.32 4.57 1r2cM1 THR 121 HG23 -0.09 -0.03 -0.10 -0.04 1.22 0.95 1r2cM1 LEU 122 H -0.18 0.66 -0.01 -0.55 8.37 8.30 1r2cM1 LEU 122 HA -0.17 -0.01 0.43 -0.75 4.35 3.85 1r2cM1 LEU 122 HB2 -0.57 0.09 0.16 -0.04 1.64 1.27 1r2cM1 LEU 122 HB3 -1.05 -0.07 0.04 -0.04 1.64 0.51 1r2cM1 LEU 122 HG -0.35 0.22 0.11 -0.04 1.64 1.58 1r2cM1 LEU 122 HD13 -0.60 -0.02 -0.04 -0.04 0.93 0.23 1r2cM1 LEU 122 HD23 -0.27 -0.02 0.01 -0.04 0.89 0.58 1r2cM1 SER 123 H 0.05 0.64 -0.29 -0.55 8.46 8.31 1r2cM1 SER 123 HA 0.38 -0.03 0.46 -0.75 4.49 4.55 1r2cM1 SER 123 HB2 0.23 -0.06 0.08 -0.04 3.95 4.16 1r2cM1 SER 123 HB3 0.10 0.24 0.22 -0.04 3.93 4.45 1r2cM1 LEU 124 H 0.09 0.66 -0.12 -0.55 8.37 8.46 1r2cM1 LEU 124 HA 0.27 -0.03 0.43 -0.75 4.35 4.26 1r2cM1 LEU 124 HB2 0.04 0.16 0.19 -0.04 1.64 1.99 1r2cM1 LEU 124 HB3 0.08 -0.09 0.03 -0.04 1.64 1.63 1r2cM1 LEU 124 HG 0.05 0.35 0.06 -0.04 1.64 2.06 1r2cM1 LEU 124 HD13 0.01 -0.02 -0.02 -0.04 0.93 0.86 1r2cM1 LEU 124 HD23 0.12 -0.03 -0.01 -0.04 0.89 0.92 1r2cM1 GLY 125 H 0.09 0.69 -0.12 -0.55 8.43 8.55 1r2cM1 GLY 125 HA2 0.14 -0.01 0.39 -0.51 4.01 4.02 1r2cM1 GLY 125 HA3 0.08 0.07 0.33 -0.51 4.01 3.98 1r2cM1 SER 126 H 0.25 0.75 -0.07 -0.55 8.46 8.84 1r2cM1 SER 126 HA 0.25 -0.04 0.45 -0.75 4.49 4.40 1r2cM1 SER 126 HB2 0.38 0.12 0.14 -0.04 3.95 4.54 1r2cM1 SER 126 HB3 0.30 -0.01 0.07 -0.04 3.93 4.25 1r2cM1 TRP 127 H 0.50 0.68 -0.08 -0.55 7.97 8.53 1r2cM1 TRP 127 HA 0.15 -0.07 0.33 -0.75 4.62 4.28 1r2cM1 TRP 127 HB2 0.12 0.08 0.14 -0.04 3.23 3.52 1r2cM1 TRP 127 HB3 0.31 0.15 0.08 -0.04 3.23 3.72 1r2cM1 TRP 127 HD1 -0.17 0.03 -0.13 -0.04 7.22 6.91 1r2cM1 TRP 127 HE1 -0.21 0.00 -0.02 -0.04 10.20 9.94 1r2cM1 TRP 127 HE3 -0.01 0.00 0.03 -0.04 7.59 7.57 1r2cM1 TRP 127 HZ2 -0.02 0.01 -0.01 -0.04 7.44 7.39 1r2cM1 TRP 127 HZ3 0.17 0.03 0.04 -0.04 7.13 7.33 1r2cM1 TRP 127 HH2 0.13 0.03 0.01 -0.04 7.19 7.31 1r2cM1 TRP 128 H 0.57 0.47 -0.50 -0.55 7.97 7.97 1r2cM1 TRP 128 HA 0.59 0.00 0.45 -0.75 4.62 4.90 1r2cM1 TRP 128 HB2 -0.00 0.10 0.10 -0.04 3.23 3.38 1r2cM1 TRP 128 HB3 0.05 0.18 0.17 -0.04 3.23 3.59 1r2cM1 TRP 128 HD1 -0.38 0.01 -0.13 -0.04 7.22 6.67 1r2cM1 TRP 128 HE1 -0.18 0.48 0.07 -0.04 10.20 10.53 1r2cM1 TRP 128 HE3 -0.07 0.08 -0.19 -0.04 7.59 7.36 1r2cM1 TRP 128 HZ2 -1.37 -0.02 -0.12 -0.04 7.44 5.89 1r2cM1 TRP 128 HZ3 -0.40 -0.01 -0.04 -0.04 7.13 6.64 1r2cM1 TRP 128 HH2 -0.98 -0.00 -0.04 -0.04 7.19 6.13 1r2cM1 ILE 129 H 0.34 0.55 -0.05 -0.55 8.25 8.55 1r2cM1 ILE 129 HA 0.06 0.00 0.40 -0.75 4.18 3.89 1r2cM1 ILE 129 HB 0.15 0.11 0.19 -0.04 1.89 2.30 1r2cM1 ILE 129 HG12 0.33 0.43 0.23 -0.04 1.49 2.44 1r2cM1 ILE 129 HG13 0.21 -0.07 0.07 -0.04 1.21 1.37 1r2cM1 ILE 129 HG23 0.15 -0.04 0.00 -0.04 0.93 1.01 1r2cM1 ILE 129 HD13 0.33 -0.02 0.02 -0.04 0.88 1.16 1r2cM1 ARG 130 H -0.06 0.52 -0.26 -0.55 8.46 8.11 1r2cM1 ARG 130 HA -0.14 -0.09 0.40 -0.75 4.34 3.75 1r2cM1 ARG 130 HB2 -0.28 -0.11 0.00 -0.04 1.90 1.47 1r2cM1 ARG 130 HB3 -0.79 0.27 0.17 -0.04 1.80 1.41 1r2cM1 ARG 130 HG2 -0.61 0.01 -0.27 -0.04 1.67 0.76 1r2cM1 ARG 130 HG3 -0.30 -0.08 -0.01 -0.04 1.67 1.24 1r2cM1 ARG 130 HD2 -1.04 -0.06 -0.00 -0.04 3.22 2.08 1r2cM1 ARG 130 HD3 -3.07 0.06 0.00 -0.04 3.22 0.17 1r2cM1 VAL 131 H -0.40 0.69 -0.06 -0.55 8.24 7.93 1r2cM1 VAL 131 HA -0.34 0.00 0.33 -0.75 4.13 3.38 1r2cM1 VAL 131 HB -0.27 0.11 0.12 -0.04 2.12 2.03 1r2cM1 VAL 131 HG13 -0.15 -0.03 -0.13 -0.04 0.97 0.62 1r2cM1 VAL 131 HG23 -0.36 0.11 0.06 -0.04 0.95 0.73 1r2cM1 TYR 132 H -0.47 0.53 -0.37 -0.55 8.29 7.44 1r2cM1 TYR 132 HA -0.52 -0.03 0.53 -0.75 4.56 3.77 1r2cM1 TYR 132 HB2 -1.80 0.06 0.10 -0.04 3.06 1.38 1r2cM1 TYR 132 HB3 -0.67 0.07 0.24 -0.04 2.98 2.58 1r2cM1 TYR 132 HD2 -0.39 -0.02 0.01 -0.04 7.15 6.71 1r2cM1 TYR 132 HE2 0.04 -0.01 -0.01 -0.04 6.85 6.83 1r2cM1 SER 133 H -0.07 0.89 0.18 -0.55 8.46 8.91 1r2cM1 SER 133 HA 0.00 -0.03 0.41 -0.75 4.49 4.12 1r2cM1 SER 133 HB2 -0.01 0.01 0.18 -0.04 3.95 4.09 1r2cM1 SER 133 HB3 0.43 -0.09 0.03 -0.04 3.93 4.26 1r2cM1 ARG 134 H -0.29 0.65 -0.03 -0.55 8.46 8.24 1r2cM1 ARG 134 HA -0.55 -0.05 0.33 -0.75 4.34 3.31 1r2cM1 ARG 134 HB2 -0.31 0.15 0.05 -0.04 1.90 1.74 1r2cM1 ARG 134 HB3 -0.32 -0.01 -0.05 -0.04 1.80 1.38 1r2cM1 ARG 134 HG2 -0.42 0.02 0.05 -0.04 1.67 1.27 1r2cM1 ARG 134 HG3 -0.33 0.01 -0.02 -0.04 1.67 1.28 1r2cM1 ARG 134 HD2 -0.74 -0.02 -0.02 -0.04 3.22 2.40 1r2cM1 ARG 134 HD3 -0.53 0.02 0.02 -0.04 3.22 2.69 1r2cM1 ALA 135 H -0.31 0.33 -0.62 -0.55 8.40 7.25 1r2cM1 ALA 135 HA -0.21 -0.01 0.37 -0.75 4.34 3.73 1r2cM1 ALA 135 HB3 -0.25 0.09 0.05 -0.04 1.41 1.25 1r2cM1 ARG 136 H -0.34 0.39 0.08 -0.55 8.46 8.04 1r2cM1 ARG 136 HA -0.14 0.07 0.49 -0.75 4.34 4.01 1r2cM1 ARG 136 HB2 0.02 0.01 0.21 -0.04 1.90 2.10 1r2cM1 ARG 136 HB3 0.06 -0.03 0.05 -0.04 1.80 1.83 1r2cM1 ARG 136 HG2 -0.52 0.03 0.05 -0.04 1.67 1.19 1r2cM1 ARG 136 HG3 -0.53 -0.05 -0.01 -0.04 1.67 1.04 1r2cM1 ARG 136 HD2 -0.14 -0.03 0.00 -0.04 3.22 3.01 1r2cM1 ARG 136 HD3 -0.00 -0.01 0.01 -0.04 3.22 3.18 1r2cM1 ALA 137 H -0.45 0.81 0.04 -0.55 8.40 8.24 1r2cM1 ALA 137 HA -0.68 -0.06 0.41 -0.75 4.34 3.26 1r2cM1 ALA 137 HB3 -1.44 -0.01 0.05 -0.04 1.41 -0.03 1r2cM1 LEU 138 H -0.33 0.58 -0.27 -0.55 8.37 7.80 1r2cM1 LEU 138 HA -0.21 0.10 0.65 -0.75 4.35 4.13 1r2cM1 LEU 138 HB2 -0.19 0.05 0.06 -0.04 1.64 1.52 1r2cM1 LEU 138 HB3 -0.15 -0.05 0.12 -0.04 1.64 1.51 1r2cM1 LEU 138 HG -0.31 0.20 0.08 -0.04 1.64 1.57 1r2cM1 LEU 138 HD13 -0.16 -0.03 -0.03 -0.04 0.93 0.67 1r2cM1 LEU 138 HD23 -0.24 -0.04 -0.16 -0.04 0.89 0.41 1r2cM1 GLY 139 H -0.16 0.58 -0.47 -0.55 8.43 7.83 1r2cM1 GLY 139 HA2 -0.07 0.01 0.38 -0.51 4.01 3.82 1r2cM1 GLY 139 HA3 -0.07 -0.02 0.45 -0.51 4.01 3.86 1r2cM1 LEU 140 H -0.12 0.83 0.16 -0.55 8.37 8.69 1r2cM1 LEU 140 HA -0.07 0.13 0.92 -0.75 4.35 4.57 1r2cM1 LEU 140 HB2 -0.12 0.00 0.06 -0.04 1.64 1.54 1r2cM1 LEU 140 HB3 -0.09 -0.10 0.10 -0.04 1.64 1.50 1r2cM1 LEU 140 HG -0.11 0.14 -0.44 -0.04 1.64 1.19 1r2cM1 LEU 140 HD13 -0.11 -0.02 -0.03 -0.04 0.93 0.72 1r2cM1 LEU 140 HD23 -0.08 0.01 -0.01 -0.04 0.89 0.76 1r2cM1 GLY 141 H -0.03 0.10 0.16 -0.55 8.43 8.10 1r2cM1 GLY 141 HA2 0.06 0.11 0.45 -0.51 4.01 4.13 1r2cM1 GLY 141 HA3 0.20 -0.00 0.35 -0.51 4.01 4.05 1r2cM1 THR 142 H 0.10 0.18 0.12 -0.55 8.28 8.13 1r2cM1 THR 142 HA -0.07 0.24 0.69 -0.75 4.39 4.51 1r2cM1 THR 142 HB -0.09 -0.05 0.21 -0.04 4.32 4.35 1r2cM1 THR 142 HG23 -0.30 0.05 0.03 -0.04 1.22 0.96 1r2cM1 HIS 143 H 0.43 0.20 -0.59 -0.55 8.41 7.91 1r2cM1 HIS 143 HA 0.24 0.08 0.35 -0.75 4.63 4.54 1r2cM1 HIS 143 HB2 -0.07 0.01 0.07 -0.04 3.26 3.24 1r2cM1 HIS 143 HB3 -0.38 0.05 -0.02 -0.04 3.20 2.80 1r2cM1 HIS 143 HD2 -0.79 0.03 -0.01 -0.04 6.97 6.15 1r2cM1 HIS 143 HE1 -0.08 0.02 0.02 -0.04 7.75 7.67 1r2cM1 ILE 144 H 0.17 0.20 -0.08 -0.55 8.25 8.00 1r2cM1 ILE 144 HA 0.37 0.06 0.38 -0.75 4.18 4.24 1r2cM1 ILE 144 HB 0.03 0.05 0.07 -0.04 1.89 2.01 1r2cM1 ILE 144 HG12 0.17 0.02 0.04 -0.04 1.49 1.67 1r2cM1 ILE 144 HG13 0.11 -0.07 0.07 -0.04 1.21 1.28 1r2cM1 ILE 144 HG23 0.07 0.02 -0.12 -0.04 0.93 0.86 1r2cM1 ILE 144 HD13 0.03 0.03 0.02 -0.04 0.88 0.91 1r2cM1 ALA 145 H -0.03 0.13 -0.33 -0.55 8.40 7.62 1r2cM1 ALA 145 HA -0.03 0.04 0.26 -0.75 4.34 3.85 1r2cM1 ALA 145 HB3 -0.57 0.06 0.02 -0.04 1.41 0.87 1r2cM1 TRP 146 H 0.13 0.40 -0.27 -0.55 7.97 7.68 1r2cM1 TRP 146 HA 0.40 0.04 0.48 -0.75 4.62 4.79 1r2cM1 TRP 146 HB2 0.55 0.11 0.17 -0.04 3.23 4.01 1r2cM1 TRP 146 HB3 0.39 -0.02 0.02 -0.04 3.23 3.58 1r2cM1 TRP 146 HD1 0.08 -0.08 -0.14 -0.04 7.22 7.04 1r2cM1 TRP 146 HE1 0.18 -0.05 -0.03 -0.04 10.20 10.26 1r2cM1 TRP 146 HE3 0.19 -0.03 0.05 -0.04 7.59 7.76 1r2cM1 TRP 146 HZ2 0.20 -0.01 -0.02 -0.04 7.44 7.58 1r2cM1 TRP 146 HZ3 -0.08 0.02 -0.03 -0.04 7.13 7.00 1r2cM1 TRP 146 HH2 0.03 0.01 -0.03 -0.04 7.19 7.16 1r2cM1 ASN 147 H 0.62 0.48 0.03 -0.55 8.53 9.12 1r2cM1 ASN 147 HA 0.02 0.02 0.47 -0.75 4.76 4.51 1r2cM1 ASN 147 HB2 0.19 0.00 0.14 -0.04 2.88 3.17 1r2cM1 ASN 147 HB3 0.32 0.07 0.17 -0.04 2.79 3.31 1r2cM1 ASN 147 HD21 -0.12 -0.02 -0.02 -0.04 7.03 6.82 1r2cM1 ASN 147 HD22 -0.32 -0.00 0.06 -0.04 7.74 7.44 1r2cM1 PHE 148 H 0.46 0.72 -0.10 -0.55 8.34 8.86 1r2cM1 PHE 148 HA 0.20 0.00 0.40 -0.75 4.62 4.47 1r2cM1 PHE 148 HB2 0.20 -0.01 0.05 -0.04 3.15 3.34 1r2cM1 PHE 148 HB3 0.26 0.11 0.09 -0.04 3.06 3.48 1r2cM1 PHE 148 HD2 0.18 -0.02 0.03 -0.04 7.28 7.44 1r2cM1 PHE 148 HE2 0.32 -0.01 -0.17 -0.04 7.38 7.48 1r2cM1 PHE 148 HZ 0.32 0.02 -0.04 -0.04 7.32 7.58 1r2cM1 ALA 149 H 0.45 0.42 -0.34 -0.55 8.40 8.38 1r2cM1 ALA 149 HA -0.16 -0.01 0.45 -0.75 4.34 3.86 1r2cM1 ALA 149 HB3 0.28 0.06 0.14 -0.04 1.41 1.84 1r2cM1 ALA 150 H 0.20 0.48 -0.16 -0.55 8.40 8.37 1r2cM1 ALA 150 HA 0.13 0.02 0.41 -0.75 4.34 4.14 1r2cM1 ALA 150 HB3 0.04 0.04 0.15 -0.04 1.41 1.60 1r2cM1 ALA 151 H 0.16 0.39 -0.18 -0.55 8.40 8.22 1r2cM1 ALA 151 HA 0.19 0.00 0.42 -0.75 4.34 4.20 1r2cM1 ALA 151 HB3 0.25 0.04 0.11 -0.04 1.41 1.77 1r2cM1 ILE 152 H -0.08 0.59 -0.08 -0.55 8.25 8.14 1r2cM1 ILE 152 HA -0.04 0.02 0.44 -0.75 4.18 3.84 1r2cM1 ILE 152 HB -0.21 0.09 0.13 -0.04 1.89 1.86 1r2cM1 ILE 152 HG12 -0.30 -0.05 0.01 -0.04 1.49 1.10 1r2cM1 ILE 152 HG13 -0.84 0.25 0.10 -0.04 1.21 0.68 1r2cM1 ILE 152 HG23 -0.11 -0.02 -0.08 -0.04 0.93 0.68 1r2cM1 ILE 152 HD13 -0.51 -0.03 -0.09 -0.04 0.88 0.21 1r2cM1 PHE 153 H 0.15 0.62 -0.23 -0.55 8.34 8.33 1r2cM1 PHE 153 HA -0.05 -0.02 0.39 -0.75 4.62 4.19 1r2cM1 PHE 153 HB2 -0.03 0.05 0.13 -0.04 3.15 3.26 1r2cM1 PHE 153 HB3 0.03 0.15 0.20 -0.04 3.06 3.40 1r2cM1 PHE 153 HD2 -0.00 0.01 -0.03 -0.04 7.28 7.22 1r2cM1 PHE 153 HE2 -0.01 -0.00 -0.04 -0.04 7.38 7.30 1r2cM1 PHE 153 HZ -0.01 0.02 -0.03 -0.04 7.32 7.26 1r2cM1 PHE 154 H 0.26 0.63 -0.06 -0.55 8.34 8.61 1r2cM1 PHE 154 HA -0.14 -0.00 0.44 -0.75 4.62 4.16 1r2cM1 PHE 154 HB2 0.05 0.07 0.14 -0.04 3.15 3.37 1r2cM1 PHE 154 HB3 0.02 0.10 0.18 -0.04 3.06 3.31 1r2cM1 PHE 154 HD2 0.01 -0.01 -0.05 -0.04 7.28 7.19 1r2cM1 PHE 154 HE2 0.05 0.03 -0.07 -0.04 7.38 7.35 1r2cM1 PHE 154 HZ 0.08 0.02 -0.03 -0.04 7.32 7.34 1r2cM1 VAL 155 H -0.04 0.52 -0.16 -0.55 8.24 8.00 1r2cM1 VAL 155 HA -0.45 0.02 0.40 -0.75 4.13 3.35 1r2cM1 VAL 155 HB -0.09 0.14 0.19 -0.04 2.12 2.32 1r2cM1 VAL 155 HG13 -0.13 -0.02 -0.10 -0.04 0.97 0.68 1r2cM1 VAL 155 HG23 -0.02 0.04 0.05 -0.04 0.95 0.98 1r2cM1 LEU 156 H -0.19 0.59 -0.16 -0.55 8.37 8.07 1r2cM1 LEU 156 HA -0.14 -0.00 0.44 -0.75 4.35 3.89 1r2cM1 LEU 156 HB2 -0.30 0.22 0.22 -0.04 1.64 1.73 1r2cM1 LEU 156 HB3 -0.15 -0.10 0.08 -0.04 1.64 1.42 1r2cM1 LEU 156 HG -0.10 0.32 0.09 -0.04 1.64 1.91 1r2cM1 LEU 156 HD13 -0.03 -0.03 -0.04 -0.04 0.93 0.79 1r2cM1 LEU 156 HD23 -0.08 -0.02 0.01 -0.04 0.89 0.75 1r2cM1 CYS 157 H -0.39 0.51 -0.21 -0.55 8.50 7.86 1r2cM1 CYS 157 HA -0.21 -0.12 0.49 -0.75 4.58 3.99 1r2cM1 CYS 157 HB2 -0.22 0.21 0.31 -0.04 2.97 3.23 1r2cM1 CYS 157 HB3 -0.07 -0.01 0.03 -0.04 2.97 2.87 1r2cM1 ILE 158 H -0.46 0.53 0.07 -0.55 8.25 7.84 1r2cM1 ILE 158 HA -0.11 0.09 0.53 -0.75 4.18 3.93 1r2cM1 ILE 158 HB -0.57 0.02 0.08 -0.04 1.89 1.38 1r2cM1 ILE 158 HG12 -0.75 0.15 0.19 -0.04 1.49 1.04 1r2cM1 ILE 158 HG13 -0.49 0.07 -0.07 -0.04 1.21 0.69 1r2cM1 ILE 158 HG23 -0.22 -0.01 0.02 -0.04 0.93 0.68 1r2cM1 ILE 158 HD13 -0.60 -0.03 -0.02 -0.04 0.88 0.18 1r2cM1 GLY 159 H -0.21 0.34 -0.38 -0.55 8.43 7.63 1r2cM1 GLY 159 HA2 -0.03 -0.01 0.58 -0.51 4.01 4.05 1r2cM1 GLY 159 HA3 -0.08 0.01 0.34 -0.51 4.01 3.76 1r2cM1 CYS 160 H 0.01 0.59 0.22 -0.55 8.50 8.78 1r2cM1 CYS 160 HA 0.33 0.17 0.65 -0.75 4.58 4.97 1r2cM1 CYS 160 HB2 0.53 -0.04 0.06 -0.04 2.97 3.47 1r2cM1 CYS 160 HB3 0.37 0.08 -0.19 -0.04 2.97 3.18 1r2cM1 ILE 161 H -0.03 0.51 0.28 -0.55 8.25 8.46 1r2cM1 ILE 161 HA -0.04 0.03 0.50 -0.75 4.18 3.91 1r2cM1 ILE 161 HB -0.12 -0.00 0.16 -0.04 1.89 1.89 1r2cM1 ILE 161 HG12 -0.04 -0.01 0.00 -0.04 1.49 1.40 1r2cM1 ILE 161 HG13 -0.09 0.01 -0.05 -0.04 1.21 1.04 1r2cM1 ILE 161 HG23 -0.04 0.01 -0.08 -0.04 0.93 0.77 1r2cM1 ILE 161 HD13 -0.20 -0.00 -0.05 -0.04 0.88 0.59 1r2cM1 HIS 162 H 0.07 0.59 0.13 -0.55 8.41 8.65 1r2cM1 HIS 162 HA -0.04 0.03 0.35 -0.75 4.63 4.22 1r2cM1 HIS 162 HB2 0.05 -0.04 0.00 -0.04 3.26 3.23 1r2cM1 HIS 162 HB3 0.06 0.17 0.09 -0.04 3.20 3.48 1r2cM1 HIS 162 HD2 0.31 0.06 -0.25 -0.04 6.97 7.05 1r2cM1 HIS 162 HE1 -0.12 -0.04 -0.13 -0.04 7.75 7.41 1r2cM1 PRO 163 HA -0.23 0.07 0.32 -0.51 4.44 4.09 1r2cM1 PRO 163 HB2 -0.20 0.04 -0.09 -0.04 2.28 1.98 1r2cM1 PRO 163 HB3 -0.03 0.08 -0.05 -0.04 2.02 1.98 1r2cM1 PRO 163 HG2 0.30 0.22 -0.26 -0.04 2.03 2.25 1r2cM1 PRO 163 HG3 0.31 0.05 -0.27 -0.04 2.03 2.07 1r2cM1 PRO 163 HD2 0.09 -0.24 -0.71 -0.04 3.68 2.77 1r2cM1 PRO 163 HD3 0.27 0.20 -0.19 -0.04 3.65 3.90 1r2cM1 THR 164 H -0.23 0.57 -0.46 -0.55 8.28 7.61 1r2cM1 THR 164 HA -0.45 -0.06 0.37 -0.75 4.39 3.50 1r2cM1 THR 164 HB -0.14 0.13 0.28 -0.04 4.32 4.55 1r2cM1 THR 164 HG23 -0.12 -0.04 -0.10 -0.04 1.22 0.92 1r2cM1 LEU 165 H -0.17 0.76 0.08 -0.55 8.37 8.49 1r2cM1 LEU 165 HA -0.14 -0.06 0.36 -0.75 4.35 3.76 1r2cM1 LEU 165 HB2 -0.19 0.12 0.20 -0.04 1.64 1.74 1r2cM1 LEU 165 HB3 -0.20 -0.03 0.02 -0.04 1.64 1.39 1r2cM1 LEU 165 HG -0.09 0.12 0.03 -0.04 1.64 1.66 1r2cM1 LEU 165 HD13 -0.08 -0.02 0.01 -0.04 0.93 0.81 1r2cM1 LEU 165 HD23 -0.07 -0.04 0.01 -0.04 0.89 0.75 1r2cM1 VAL 166 H -0.34 0.55 -0.09 -0.55 8.24 7.80 1r2cM1 VAL 166 HA -0.17 0.08 0.47 -0.75 4.13 3.76 1r2cM1 VAL 166 HB -0.11 -0.06 0.05 -0.04 2.12 1.96 1r2cM1 VAL 166 HG13 -0.19 0.03 -0.11 -0.04 0.97 0.66 1r2cM1 VAL 166 HG23 -0.28 0.01 -0.13 -0.04 0.95 0.51 1r2cM1 GLY 167 H -0.25 0.24 -0.75 -0.55 8.43 7.12 1r2cM1 GLY 167 HA2 -0.26 0.03 0.31 -0.51 4.01 3.59 1r2cM1 GLY 167 HA3 -0.15 -0.04 0.46 -0.51 4.01 3.77 1r2cM1 SER 168 H -0.31 0.68 0.03 -0.55 8.46 8.31 1r2cM1 SER 168 HA -0.18 0.25 0.54 -0.75 4.49 4.34 1r2cM1 SER 168 HB2 -0.08 0.12 -0.17 -0.04 3.95 3.79 1r2cM1 SER 168 HB3 -0.07 0.03 -0.05 -0.04 3.93 3.80 1r2cM1 TRP 169 H -0.06 0.43 0.15 -0.55 7.97 7.94 1r2cM1 TRP 169 HA 0.08 0.08 0.44 -0.75 4.62 4.47 1r2cM1 TRP 169 HB2 0.09 0.02 0.12 -0.04 3.23 3.41 1r2cM1 TRP 169 HB3 0.10 -0.02 0.08 -0.04 3.23 3.35 1r2cM1 TRP 169 HD1 0.11 0.16 -0.11 -0.04 7.22 7.34 1r2cM1 TRP 169 HE1 0.06 0.29 -0.17 -0.04 10.20 10.34 1r2cM1 TRP 169 HE3 0.39 0.03 0.10 -0.04 7.59 8.06 1r2cM1 TRP 169 HZ2 0.03 -0.02 -0.02 -0.04 7.44 7.39 1r2cM1 TRP 169 HZ3 0.15 0.01 0.09 -0.04 7.13 7.33 1r2cM1 TRP 169 HH2 0.03 -0.05 -0.02 -0.04 7.19 7.10 1r2cM1 SER 170 H 0.12 0.03 -0.21 -0.55 8.46 7.86 1r2cM1 SER 170 HA -0.03 0.16 0.28 -0.75 4.49 4.15 1r2cM1 SER 170 HB2 -0.00 0.07 0.04 -0.04 3.95 4.01 1r2cM1 SER 170 HB3 0.01 0.02 0.00 -0.04 3.93 3.92 1r2cM1 GLU 171 H 0.10 0.24 -0.75 -0.55 8.60 7.64 1r2cM1 GLU 171 HA 0.31 0.04 0.45 -0.75 4.29 4.34 1r2cM1 GLU 171 HB2 0.27 0.03 -0.03 -0.04 2.09 2.32 1r2cM1 GLU 171 HB3 0.68 -0.06 -0.01 -0.04 1.99 2.56 1r2cM1 GLU 171 HG2 0.10 -0.13 -0.09 -0.04 2.34 2.19 1r2cM1 GLU 171 HG3 0.04 0.00 -0.02 -0.04 2.34 2.31 1r2cM1 GLY 172 H 0.03 0.55 -0.09 -0.55 8.43 8.37 1r2cM1 GLY 172 HA2 0.12 0.15 0.43 -0.51 4.01 4.19 1r2cM1 GLY 172 HA3 -0.16 -0.01 0.35 -0.51 4.01 3.67 1r2cM1 VAL 173 H -0.21 0.15 0.20 -0.55 8.24 7.82 1r2cM1 VAL 173 HA -1.29 0.16 0.71 -0.75 4.13 2.95 1r2cM1 VAL 173 HB -0.60 -0.09 0.12 -0.04 2.12 1.51 1r2cM1 VAL 173 HG13 -0.60 0.03 -0.03 -0.04 0.97 0.33 1r2cM1 VAL 173 HG23 -2.12 0.04 0.01 -0.04 0.95 -1.16 1r2cM1 PRO 174 HA -0.00 0.14 0.53 -0.51 4.44 4.60 1r2cM1 PRO 174 HB2 -0.33 -0.04 -0.23 -0.04 2.28 1.64 1r2cM1 PRO 174 HB3 -0.02 0.02 0.04 -0.04 2.02 2.02 1r2cM1 PRO 174 HG2 0.03 -0.11 -0.51 -0.04 2.03 1.40 1r2cM1 PRO 174 HG3 0.22 0.04 -0.08 -0.04 2.03 2.17 1r2cM1 PRO 174 HD2 -0.18 0.02 0.23 -0.04 3.68 3.71 1r2cM1 PRO 174 HD3 -0.03 0.34 0.22 -0.04 3.65 4.13 1r2cM1 PHE 175 H 0.28 0.53 0.29 -0.55 8.34 8.89 1r2cM1 PHE 175 HA -0.08 0.14 0.77 -0.75 4.62 4.70 1r2cM1 PHE 175 HB2 -0.01 -0.10 0.24 -0.04 3.15 3.24 1r2cM1 PHE 175 HB3 -0.08 -0.04 0.04 -0.04 3.06 2.95 1r2cM1 PHE 175 HD2 0.06 0.01 0.05 -0.04 7.28 7.36 1r2cM1 PHE 175 HE2 -0.59 0.04 -0.01 -0.04 7.38 6.78 1r2cM1 PHE 175 HZ -0.37 -0.05 -0.11 -0.04 7.32 6.75 1r2cM1 GLY 176 H -0.11 0.23 0.14 -0.55 8.43 8.15 1r2cM1 GLY 176 HA2 -0.21 0.03 0.39 -0.51 4.01 3.71 1r2cM1 GLY 176 HA3 -0.13 0.23 0.59 -0.51 4.01 4.18 1r2cM1 ILE 177 H -0.43 0.24 0.17 -0.55 8.25 7.68 1r2cM1 ILE 177 HA -0.36 0.03 0.43 -0.75 4.18 3.53 1r2cM1 ILE 177 HB -1.02 -0.03 0.37 -0.04 1.89 1.17 1r2cM1 ILE 177 HG12 -0.68 0.06 0.11 -0.04 1.49 0.94 1r2cM1 ILE 177 HG13 -1.02 -0.02 0.06 -0.04 1.21 0.18 1r2cM1 ILE 177 HG23 -1.59 0.00 -0.01 -0.04 0.93 -0.71 1r2cM1 ILE 177 HD13 -0.38 -0.01 -0.01 -0.04 0.88 0.44 1r2cM1 TRP 178 H -0.43 0.43 0.19 -0.55 7.97 7.62 1r2cM1 TRP 178 HA -0.17 -0.01 0.36 -0.75 4.62 4.04 1r2cM1 TRP 178 HB2 -0.31 0.25 0.09 -0.04 3.23 3.21 1r2cM1 TRP 178 HB3 -0.24 -0.05 -0.04 -0.04 3.23 2.86 1r2cM1 TRP 178 HD1 -2.38 0.01 -0.25 -0.04 7.22 4.56 1r2cM1 TRP 178 HE1 -1.98 0.00 -0.04 -0.04 10.20 8.14 1r2cM1 TRP 178 HE3 -0.18 0.02 -0.06 -0.04 7.59 7.33 1r2cM1 TRP 178 HZ2 -0.02 0.00 -0.01 -0.04 7.44 7.37 1r2cM1 TRP 178 HZ3 -0.09 0.01 -0.04 -0.04 7.13 6.97 1r2cM1 TRP 178 HH2 0.02 0.00 -0.02 -0.04 7.19 7.15 1r2cM1 PRO 179 HA 0.22 -0.01 0.29 -0.51 4.44 4.44 1r2cM1 PRO 179 HB2 -0.06 0.04 -0.39 -0.04 2.28 1.83 1r2cM1 PRO 179 HB3 -0.03 0.02 -0.19 -0.04 2.02 1.78 1r2cM1 PRO 179 HG2 -0.03 0.16 -0.51 -0.04 2.03 1.61 1r2cM1 PRO 179 HG3 0.22 0.07 -0.18 -0.04 2.03 2.11 1r2cM1 PRO 179 HD2 -0.04 -0.17 -0.60 -0.04 3.68 2.82 1r2cM1 PRO 179 HD3 0.09 0.31 0.09 -0.04 3.65 4.11 1r2cM1 HIS 180 H 0.20 0.60 -0.26 -0.55 8.41 8.40 1r2cM1 HIS 180 HA -0.03 0.08 0.43 -0.75 4.63 4.35 1r2cM1 HIS 180 HB2 -0.19 -0.03 0.15 -0.04 3.26 3.16 1r2cM1 HIS 180 HB3 -0.12 0.02 0.23 -0.04 3.20 3.29 1r2cM1 HIS 180 HD2 -0.09 -0.04 -0.02 -0.04 6.97 6.78 1r2cM1 HIS 180 HE1 -0.08 -0.10 0.02 -0.04 7.75 7.55 1r2cM1 ILE 181 H 0.09 0.41 -0.49 -0.55 8.25 7.70 1r2cM1 ILE 181 HA -0.18 0.03 0.64 -0.75 4.18 3.91 1r2cM1 ILE 181 HB 0.16 0.19 0.21 -0.04 1.89 2.41 1r2cM1 ILE 181 HG12 -0.17 -0.05 0.05 -0.04 1.49 1.27 1r2cM1 ILE 181 HG13 -0.44 0.06 -0.02 -0.04 1.21 0.76 1r2cM1 ILE 181 HG23 0.04 -0.04 -0.11 -0.04 0.93 0.78 1r2cM1 ILE 181 HD13 0.16 -0.03 -0.02 -0.04 0.88 0.96 1r2cM1 ASP 182 H 0.12 0.52 0.06 -0.55 8.40 8.54 1r2cM1 ASP 182 HA 0.01 -0.02 0.43 -0.75 4.63 4.29 1r2cM1 ASP 182 HB2 0.16 0.17 0.11 -0.04 2.71 3.11 1r2cM1 ASP 182 HB3 0.07 -0.05 0.02 -0.04 2.70 2.70 1r2cM1 TRP 183 H 0.28 0.42 -0.41 -0.55 7.97 7.71 1r2cM1 TRP 183 HA 0.01 0.03 0.41 -0.75 4.62 4.32 1r2cM1 TRP 183 HB2 0.00 0.06 0.15 -0.04 3.23 3.40 1r2cM1 TRP 183 HB3 -0.06 0.25 0.13 -0.04 3.23 3.51 1r2cM1 TRP 183 HD1 0.02 0.06 0.04 -0.04 7.22 7.29 1r2cM1 TRP 183 HE1 0.06 0.58 0.00 -0.04 10.20 10.80 1r2cM1 TRP 183 HE3 -0.16 0.07 -0.06 -0.04 7.59 7.40 1r2cM1 TRP 183 HZ2 -0.98 0.08 0.01 -0.04 7.44 6.51 1r2cM1 TRP 183 HZ3 -0.23 -0.07 -0.01 -0.04 7.13 6.77 1r2cM1 TRP 183 HH2 -0.66 -0.07 -0.00 -0.04 7.19 6.42 1r2cM1 LEU 184 H 0.17 0.34 -0.27 -0.55 8.37 8.06 1r2cM1 LEU 184 HA -0.49 0.03 0.38 -0.75 4.35 3.52 1r2cM1 LEU 184 HB2 -0.04 0.18 0.16 -0.04 1.64 1.90 1r2cM1 LEU 184 HB3 -0.09 -0.10 0.06 -0.04 1.64 1.47 1r2cM1 LEU 184 HG 0.19 0.21 0.20 -0.04 1.64 2.20 1r2cM1 LEU 184 HD13 -0.01 -0.02 0.06 -0.04 0.93 0.93 1r2cM1 LEU 184 HD23 0.22 -0.02 0.04 -0.04 0.89 1.09 1r2cM1 THR 185 H -0.09 0.35 -0.29 -0.55 8.28 7.70 1r2cM1 THR 185 HA -0.14 0.00 0.58 -0.75 4.39 4.08 1r2cM1 THR 185 HB -0.07 0.16 0.15 -0.04 4.32 4.53 1r2cM1 THR 185 HG23 -0.06 -0.01 -0.10 -0.04 1.22 1.00 1r2cM1 ALA 186 H -0.12 0.54 0.06 -0.55 8.40 8.33 1r2cM1 ALA 186 HA -0.12 -0.02 0.44 -0.75 4.34 3.89 1r2cM1 ALA 186 HB3 -0.07 0.03 0.11 -0.04 1.41 1.44 1r2cM1 PHE 187 H -0.44 0.81 -0.15 -0.55 8.34 8.01 1r2cM1 PHE 187 HA -0.40 0.07 0.40 -0.75 4.62 3.94 1r2cM1 PHE 187 HB2 -1.90 0.17 0.09 -0.04 3.15 1.47 1r2cM1 PHE 187 HB3 -1.21 -0.03 0.08 -0.04 3.06 1.86 1r2cM1 PHE 187 HD2 -0.71 0.02 -0.08 -0.04 7.28 6.47 1r2cM1 PHE 187 HE2 0.02 -0.00 -0.05 -0.04 7.38 7.31 1r2cM1 PHE 187 HZ -0.76 0.05 -0.05 -0.04 7.32 6.52 1r2cM1 SER 188 H -0.34 0.54 -0.10 -0.55 8.46 8.02 1r2cM1 SER 188 HA -0.14 0.01 0.39 -0.75 4.49 3.99 1r2cM1 SER 188 HB2 -0.32 0.08 0.19 -0.04 3.95 3.86 1r2cM1 SER 188 HB3 -0.17 0.14 0.25 -0.04 3.93 4.10 1r2cM1 ILE 189 H -0.15 0.87 -0.09 -0.55 8.25 8.33 1r2cM1 ILE 189 HA -0.04 -0.11 0.43 -0.75 4.18 3.71 1r2cM1 ILE 189 HB -0.12 0.17 0.20 -0.04 1.89 2.09 1r2cM1 ILE 189 HG12 -0.04 -0.09 0.06 -0.04 1.49 1.38 1r2cM1 ILE 189 HG13 -0.07 0.04 0.09 -0.04 1.21 1.23 1r2cM1 ILE 189 HG23 -0.08 -0.01 -0.12 -0.04 0.93 0.68 1r2cM1 ILE 189 HD13 -0.06 -0.02 -0.05 -0.04 0.88 0.71 1r2cM1 ARG 190 H -0.27 0.56 -0.21 -0.55 8.46 7.98 1r2cM1 ARG 190 HA -0.27 -0.01 0.42 -0.75 4.34 3.72 1r2cM1 ARG 190 HB2 -0.37 -0.01 0.15 -0.04 1.90 1.62 1r2cM1 ARG 190 HB3 -0.69 0.15 0.21 -0.04 1.80 1.43 1r2cM1 ARG 190 HG2 -0.77 -0.00 -0.01 -0.04 1.67 0.85 1r2cM1 ARG 190 HG3 -1.65 0.02 -0.26 -0.04 1.67 -0.26 1r2cM1 ARG 190 HD2 -0.36 -0.03 0.18 -0.04 3.22 2.98 1r2cM1 ARG 190 HD3 -0.29 -0.03 0.06 -0.04 3.22 2.92 1r2cM1 TYR 191 H -0.16 0.38 -0.29 -0.55 8.29 7.68 1r2cM1 TYR 191 HA -0.03 0.48 0.88 -0.75 4.56 5.13 1r2cM1 TYR 191 HB2 0.19 0.03 0.05 -0.04 3.06 3.29 1r2cM1 TYR 191 HB3 0.31 -0.18 0.06 -0.04 2.98 3.13 1r2cM1 TYR 191 HD2 -0.76 0.07 0.02 -0.04 7.15 6.44 1r2cM1 TYR 191 HE2 -0.57 0.02 0.02 -0.04 6.85 6.28 1r2cM1 GLY 192 H 0.03 0.44 -0.54 -0.55 8.43 7.82 1r2cM1 GLY 192 HA2 0.11 0.11 0.37 -0.51 4.01 4.08 1r2cM1 GLY 192 HA3 0.19 -0.21 0.42 -0.51 4.01 3.90 1r2cM1 ASN 193 H 0.16 0.51 -0.01 -0.55 8.53 8.64 1r2cM1 ASN 193 HA 0.16 -0.04 0.35 -0.75 4.76 4.48 1r2cM1 ASN 193 HB2 0.19 0.04 -0.17 -0.04 2.88 2.89 1r2cM1 ASN 193 HB3 0.41 0.17 0.13 -0.04 2.79 3.47 1r2cM1 ASN 193 HD21 0.46 0.03 -0.04 -0.04 7.03 7.43 1r2cM1 ASN 193 HD22 0.32 0.06 -0.04 -0.04 7.74 8.03 1r2cM1 PHE 194 H 0.16 0.16 0.10 -0.55 8.34 8.21 1r2cM1 PHE 194 HA -0.19 0.14 0.34 -0.75 4.62 4.16 1r2cM1 PHE 194 HB2 -0.35 -0.00 0.15 -0.04 3.15 2.91 1r2cM1 PHE 194 HB3 -0.95 0.01 0.01 -0.04 3.06 2.09 1r2cM1 PHE 194 HD2 -0.07 -0.02 -0.06 -0.04 7.28 7.09 1r2cM1 PHE 194 HE2 0.16 0.04 -0.06 -0.04 7.38 7.47 1r2cM1 PHE 194 HZ 0.35 0.08 -0.08 -0.04 7.32 7.64 1r2cM1 TYR 195 H 0.01 0.05 -0.44 -0.55 8.29 7.36 1r2cM1 TYR 195 HA -0.07 0.07 0.36 -0.75 4.56 4.17 1r2cM1 TYR 195 HB2 -0.03 -0.01 -0.02 -0.04 3.06 2.96 1r2cM1 TYR 195 HB3 -0.27 0.06 -0.03 -0.04 2.98 2.69 1r2cM1 TYR 195 HD2 0.03 0.01 -0.00 -0.04 7.15 7.15 1r2cM1 TYR 195 HE2 0.06 0.01 -0.03 -0.04 6.85 6.85 1r2cM1 TYR 196 H 0.25 0.43 -0.40 -0.55 8.29 8.02 1r2cM1 TYR 196 HA 0.14 0.16 0.67 -0.75 4.56 4.77 1r2cM1 TYR 196 HB2 0.35 0.15 -0.12 -0.04 3.06 3.40 1r2cM1 TYR 196 HB3 0.36 0.12 0.03 -0.04 2.98 3.46 1r2cM1 TYR 196 HD2 0.25 0.00 -0.01 -0.04 7.15 7.35 1r2cM1 TYR 196 HE2 0.17 -0.00 -0.03 -0.04 6.85 6.95 1r2cM1 CYS 197 H -0.30 0.44 -0.43 -0.55 8.50 7.66 1r2cM1 CYS 197 HA -1.21 0.21 0.76 -0.75 4.58 3.57 1r2cM1 CYS 197 HB2 -2.14 0.07 0.08 -0.04 2.97 0.94 1r2cM1 CYS 197 HB3 -1.00 0.13 0.27 -0.04 2.97 2.32 1r2cM1 PRO 198 HA -0.42 0.08 0.34 -0.51 4.44 3.93 1r2cM1 PRO 198 HB2 -1.58 -0.01 0.04 -0.04 2.28 0.69 1r2cM1 PRO 198 HB3 -0.61 0.05 0.06 -0.04 2.02 1.48 1r2cM1 PRO 198 HG2 0.14 0.06 0.07 -0.04 2.03 2.27 1r2cM1 PRO 198 HG3 0.09 0.09 0.05 -0.04 2.03 2.22 1r2cM1 PRO 198 HD2 -0.35 0.04 0.22 -0.04 3.68 3.54 1r2cM1 PRO 198 HD3 0.06 0.56 0.34 -0.04 3.65 4.56 1r2cM1 TRP 199 H -0.04 0.15 -0.31 -0.55 7.97 7.23 1r2cM1 TRP 199 HA 0.24 0.05 0.47 -0.75 4.62 4.64 1r2cM1 TRP 199 HB2 -0.26 -0.01 0.08 -0.04 3.23 3.01 1r2cM1 TRP 199 HB3 -0.06 0.17 0.03 -0.04 3.23 3.33 1r2cM1 TRP 199 HD1 -0.05 0.01 0.07 -0.04 7.22 7.21 1r2cM1 TRP 199 HE1 -0.06 0.01 -0.04 -0.04 10.20 10.07 1r2cM1 TRP 199 HE3 -0.56 -0.04 0.01 -0.04 7.59 6.96 1r2cM1 TRP 199 HZ2 0.11 0.01 -0.04 -0.04 7.44 7.48 1r2cM1 TRP 199 HZ3 -0.06 0.06 0.01 -0.04 7.13 7.10 1r2cM1 TRP 199 HH2 0.15 0.04 -0.02 -0.04 7.19 7.32 1r2cM1 HIS 200 H -0.20 0.25 -0.18 -0.55 8.41 7.73 1r2cM1 HIS 200 HA -0.08 0.02 0.44 -0.75 4.63 4.25 1r2cM1 HIS 200 HB2 -0.45 -0.06 0.19 -0.04 3.26 2.91 1r2cM1 HIS 200 HB3 -0.30 0.20 0.22 -0.04 3.20 3.28 1r2cM1 HIS 200 HD2 -0.10 0.04 -0.13 -0.04 6.97 6.73 1r2cM1 HIS 200 HE1 -0.02 0.01 -0.04 -0.04 7.75 7.65 1r2cM1 GLY 201 H -0.17 0.48 -0.14 -0.55 8.43 8.05 1r2cM1 GLY 201 HA2 -0.23 -0.01 0.32 -0.51 4.01 3.58 1r2cM1 GLY 201 HA3 -0.28 0.11 0.25 -0.51 4.01 3.58 1r2cM1 PHE 202 H -0.22 0.55 -0.14 -0.55 8.34 7.99 1r2cM1 PHE 202 HA -0.31 0.01 0.43 -0.75 4.62 4.00 1r2cM1 PHE 202 HB2 -0.20 0.03 0.21 -0.04 3.15 3.16 1r2cM1 PHE 202 HB3 -0.01 -0.04 -0.01 -0.04 3.06 2.96 1r2cM1 PHE 202 HD2 -0.62 -0.05 -0.12 -0.04 7.28 6.44 1r2cM1 PHE 202 HE2 -0.43 -0.01 -0.05 -0.04 7.38 6.84 1r2cM1 PHE 202 HZ -0.17 0.00 -0.03 -0.04 7.32 7.09 1r2cM1 SER 203 H 0.04 0.73 -0.07 -0.55 8.46 8.60 1r2cM1 SER 203 HA 0.10 -0.00 0.46 -0.75 4.49 4.29 1r2cM1 SER 203 HB2 -0.03 0.01 0.18 -0.04 3.95 4.07 1r2cM1 SER 203 HB3 -0.16 0.11 0.21 -0.04 3.93 4.05 1r2cM1 ILE 204 H -0.27 0.73 -0.08 -0.55 8.25 8.07 1r2cM1 ILE 204 HA -0.33 -0.04 0.47 -0.75 4.18 3.53 1r2cM1 ILE 204 HB -0.37 0.14 0.12 -0.04 1.89 1.74 1r2cM1 ILE 204 HG12 -0.44 -0.07 0.02 -0.04 1.49 0.96 1r2cM1 ILE 204 HG13 -0.64 0.29 0.02 -0.04 1.21 0.85 1r2cM1 ILE 204 HG23 -0.89 -0.02 -0.08 -0.04 0.93 -0.10 1r2cM1 ILE 204 HD13 -0.35 -0.02 -0.08 -0.04 0.88 0.39 1r2cM1 GLY 205 H -0.25 0.69 -0.19 -0.55 8.43 8.13 1r2cM1 GLY 205 HA2 -0.15 -0.04 0.36 -0.51 4.01 3.68 1r2cM1 GLY 205 HA3 -0.31 0.08 0.35 -0.51 4.01 3.62 1r2cM1 PHE 206 H -0.12 0.56 -0.16 -0.55 8.34 8.07 1r2cM1 PHE 206 HA -0.08 0.00 0.50 -0.75 4.62 4.28 1r2cM1 PHE 206 HB2 -0.15 0.10 0.06 -0.04 3.15 3.12 1r2cM1 PHE 206 HB3 -0.18 0.12 0.03 -0.04 3.06 2.99 1r2cM1 PHE 206 HD2 -0.72 0.00 -0.13 -0.04 7.28 6.39 1r2cM1 PHE 206 HE2 -0.46 -0.03 -0.06 -0.04 7.38 6.79 1r2cM1 PHE 206 HZ -0.19 -0.01 -0.04 -0.04 7.32 7.03 1r2cM1 ALA 207 H 0.04 0.65 -0.05 -0.55 8.40 8.49 1r2cM1 ALA 207 HA 0.13 -0.00 0.47 -0.75 4.34 4.18 1r2cM1 ALA 207 HB3 0.01 0.02 0.18 -0.04 1.41 1.58 1r2cM1 TYR 208 H 0.09 0.72 0.12 -0.55 8.29 8.67 1r2cM1 TYR 208 HA 0.06 -0.04 0.37 -0.75 4.56 4.20 1r2cM1 TYR 208 HB2 0.02 0.18 0.12 -0.04 3.06 3.34 1r2cM1 TYR 208 HB3 0.04 -0.05 -0.00 -0.04 2.98 2.92 1r2cM1 TYR 208 HD2 0.02 -0.05 -0.00 -0.04 7.15 7.08 1r2cM1 TYR 208 HE2 0.02 -0.01 -0.01 -0.04 6.85 6.81 1r2cM1 GLY 209 H 0.25 0.33 -0.76 -0.55 8.43 7.71 1r2cM1 GLY 209 HA2 0.24 -0.03 0.48 -0.51 4.01 4.19 1r2cM1 GLY 209 HA3 0.54 0.08 0.33 -0.51 4.01 4.45 1r2cM1 CYS 210 H 0.30 0.83 0.09 -0.55 8.50 9.17 1r2cM1 CYS 210 HA 0.15 -0.07 0.48 -0.75 4.58 4.39 1r2cM1 CYS 210 HB2 0.19 0.18 0.25 -0.04 2.97 3.55 1r2cM1 CYS 210 HB3 0.17 -0.10 0.04 -0.04 2.97 3.04 1r2cM1 GLY 211 H 0.18 0.56 -0.25 -0.55 8.43 8.38 1r2cM1 GLY 211 HA2 0.15 -0.01 0.44 -0.51 4.01 4.07 1r2cM1 GLY 211 HA3 0.11 0.08 0.30 -0.51 4.01 3.99 1r2cM1 LEU 212 H 0.11 0.58 -0.03 -0.55 8.37 8.48 1r2cM1 LEU 212 HA 0.05 -0.02 0.39 -0.75 4.35 4.02 1r2cM1 LEU 212 HB2 0.06 0.06 0.16 -0.04 1.64 1.88 1r2cM1 LEU 212 HB3 0.03 0.11 0.19 -0.04 1.64 1.93 1r2cM1 LEU 212 HG 0.03 -0.05 0.07 -0.04 1.64 1.65 1r2cM1 LEU 212 HD13 0.04 0.00 0.00 -0.04 0.93 0.93 1r2cM1 LEU 212 HD23 -0.12 -0.02 -0.23 -0.04 0.89 0.48 1r2cM1 LEU 213 H -0.00 0.81 -0.08 -0.55 8.37 8.55 1r2cM1 LEU 213 HA -0.17 0.02 0.50 -0.75 4.35 3.94 1r2cM1 LEU 213 HB2 -0.13 0.11 0.18 -0.04 1.64 1.76 1r2cM1 LEU 213 HB3 -0.20 -0.09 0.01 -0.04 1.64 1.32 1r2cM1 LEU 213 HG -0.47 0.10 -0.00 -0.04 1.64 1.23 1r2cM1 LEU 213 HD13 -0.78 -0.02 -0.14 -0.04 0.93 -0.05 1r2cM1 LEU 213 HD23 -0.47 -0.02 0.00 -0.04 0.89 0.37 1r2cM1 PHE 214 H 0.19 0.75 -0.03 -0.55 8.34 8.70 1r2cM1 PHE 214 HA 0.09 -0.01 0.55 -0.75 4.62 4.49 1r2cM1 PHE 214 HB2 0.07 0.19 0.18 -0.04 3.15 3.55 1r2cM1 PHE 214 HB3 0.06 0.04 0.03 -0.04 3.06 3.15 1r2cM1 PHE 214 HD2 0.09 -0.06 0.11 -0.04 7.28 7.37 1r2cM1 PHE 214 HE2 0.10 -0.01 0.00 -0.04 7.38 7.43 1r2cM1 PHE 214 HZ 0.11 -0.00 0.00 -0.04 7.32 7.39 1r2cM1 ALA 215 H 0.17 0.65 -0.01 -0.55 8.40 8.67 1r2cM1 ALA 215 HA 0.07 0.01 0.42 -0.75 4.34 4.09 1r2cM1 ALA 215 HB3 0.08 0.02 0.11 -0.04 1.41 1.57 1r2cM1 ALA 216 H 0.10 0.52 -0.25 -0.55 8.40 8.22 1r2cM1 ALA 216 HA 0.26 0.03 0.40 -0.75 4.34 4.27 1r2cM1 ALA 216 HB3 -0.02 0.01 0.11 -0.04 1.41 1.46 1r2cM1 HIS 217 H 0.14 0.94 0.06 -0.55 8.41 9.00 1r2cM1 HIS 217 HA 0.00 -0.02 0.46 -0.75 4.63 4.32 1r2cM1 HIS 217 HB2 -0.15 -0.00 0.14 -0.04 3.26 3.20 1r2cM1 HIS 217 HB3 0.02 0.03 0.21 -0.04 3.20 3.42 1r2cM1 HIS 217 HD2 -0.10 0.02 -0.06 -0.04 6.97 6.79 1r2cM1 HIS 217 HE1 0.02 -0.03 -0.02 -0.04 7.75 7.68 1r2cM1 GLY 218 H 0.25 0.81 -0.01 -0.55 8.43 8.93 1r2cM1 GLY 218 HA2 -0.08 -0.06 0.40 -0.51 4.01 3.76 1r2cM1 GLY 218 HA3 0.05 0.13 0.33 -0.51 4.01 4.01 1r2cM1 ALA 219 H 0.06 0.72 -0.08 -0.55 8.40 8.55 1r2cM1 ALA 219 HA -0.02 -0.01 0.41 -0.75 4.34 3.96 1r2cM1 ALA 219 HB3 0.02 0.01 0.11 -0.04 1.41 1.51 1r2cM1 THR 220 H 0.08 0.45 -0.49 -0.55 8.28 7.77 1r2cM1 THR 220 HA -0.07 0.01 0.35 -0.75 4.39 3.93 1r2cM1 THR 220 HB 0.15 0.15 0.22 -0.04 4.32 4.81 1r2cM1 THR 220 HG23 0.20 -0.05 -0.11 -0.04 1.22 1.22 1r2cM1 ILE 221 H -0.08 0.61 -0.03 -0.55 8.25 8.21 1r2cM1 ILE 221 HA 0.01 -0.06 0.30 -0.75 4.18 3.68 1r2cM1 ILE 221 HB -0.11 0.15 0.12 -0.04 1.89 2.01 1r2cM1 ILE 221 HG12 -0.33 0.30 0.07 -0.04 1.49 1.49 1r2cM1 ILE 221 HG13 -0.18 -0.03 -0.04 -0.04 1.21 0.92 1r2cM1 ILE 221 HG23 0.00 -0.04 -0.30 -0.04 0.93 0.55 1r2cM1 ILE 221 HD13 0.13 -0.02 -0.11 -0.04 0.88 0.85 1r2cM1 LEU 222 H -0.05 0.65 -0.09 -0.55 8.37 8.33 1r2cM1 LEU 222 HA -0.04 -0.04 0.38 -0.75 4.35 3.90 1r2cM1 LEU 222 HB2 -0.05 0.12 0.13 -0.04 1.64 1.80 1r2cM1 LEU 222 HB3 -0.05 -0.05 0.04 -0.04 1.64 1.54 1r2cM1 LEU 222 HG -0.04 0.21 0.06 -0.04 1.64 1.83 1r2cM1 LEU 222 HD13 -0.03 0.00 -0.01 -0.04 0.93 0.85 1r2cM1 LEU 222 HD23 -0.03 -0.04 0.03 -0.04 0.89 0.81 1r2cM1 ALA 223 H -0.07 0.64 -0.28 -0.55 8.40 8.14 1r2cM1 ALA 223 HA -0.08 -0.03 0.38 -0.75 4.34 3.85 1r2cM1 ALA 223 HB3 -0.17 0.05 0.14 -0.04 1.41 1.39 1r2cM1 VAL 224 H 0.00 0.52 -0.64 -0.55 8.24 7.57 1r2cM1 VAL 224 HA 0.25 0.20 0.98 -0.75 4.13 4.81 1r2cM1 VAL 224 HB 0.23 -0.21 0.21 -0.04 2.12 2.31 1r2cM1 VAL 224 HG13 0.04 0.05 -0.14 -0.04 0.97 0.87 1r2cM1 VAL 224 HG23 0.06 0.02 -0.05 -0.04 0.95 0.94 1r2cM1 ALA 225 H -0.03 0.70 -0.00 -0.55 8.40 8.52 1r2cM1 ALA 225 HA -0.01 -0.16 0.50 -0.75 4.34 3.92 1r2cM1 ALA 225 HB3 -0.06 0.04 0.11 -0.04 1.41 1.46 1r2cM1 ARG 226 H -0.24 0.24 -0.19 -0.55 8.46 7.71 1r2cM1 ARG 226 HA -0.25 0.08 0.38 -0.75 4.34 3.81 1r2cM1 ARG 226 HB2 -0.89 0.04 0.01 -0.04 1.90 1.02 1r2cM1 ARG 226 HB3 -0.66 0.03 0.08 -0.04 1.80 1.21 1r2cM1 ARG 226 HG2 -0.22 -0.01 0.07 -0.04 1.67 1.46 1r2cM1 ARG 226 HG3 -0.24 -0.00 0.07 -0.04 1.67 1.46 1r2cM1 ARG 226 HD2 -0.24 0.06 0.04 -0.04 3.22 3.04 1r2cM1 ARG 226 HD3 -0.25 0.01 0.04 -0.04 3.22 2.98 1r2cM1 PHE 227 H -0.06 0.23 -0.76 -0.55 8.34 7.19 1r2cM1 PHE 227 HA -0.01 0.25 0.90 -0.75 4.62 5.01 1r2cM1 PHE 227 HB2 -0.02 0.00 0.02 -0.04 3.15 3.12 1r2cM1 PHE 227 HB3 -0.01 -0.10 0.09 -0.04 3.06 3.00 1r2cM1 PHE 227 HD2 -0.02 0.02 0.00 -0.04 7.28 7.24 1r2cM1 PHE 227 HE2 -0.03 0.08 0.00 -0.04 7.38 7.39 1r2cM1 PHE 227 HZ -0.02 0.03 -0.02 -0.04 7.32 7.27 1r2cM1 GLY 228 H 0.02 0.38 -0.04 -0.55 8.43 8.25 1r2cM1 GLY 228 HA2 0.02 0.07 0.33 -0.51 4.01 3.92 1r2cM1 GLY 228 HA3 0.05 0.21 0.72 -0.51 4.01 4.48 1r2cM1 GLY 229 H 0.10 0.47 0.02 -0.55 8.43 8.47 1r2cM1 GLY 229 HA2 0.07 -0.04 0.20 -0.51 4.01 3.73 1r2cM1 GLY 229 HA3 0.07 0.13 0.17 -0.51 4.01 3.87 1r2cM1 ASP 230 H 0.03 0.06 -0.50 -0.55 8.40 7.45 1r2cM1 ASP 230 HA 0.04 0.06 0.35 -0.75 4.63 4.33 1r2cM1 ASP 230 HB2 0.02 0.02 0.04 -0.04 2.71 2.75 1r2cM1 ASP 230 HB3 0.01 0.02 0.01 -0.04 2.70 2.70 1r2cM1 ARG 231 H 0.03 0.89 -0.24 -0.55 8.46 8.59 1r2cM1 ARG 231 HA 0.01 0.09 0.59 -0.75 4.34 4.28 1r2cM1 ARG 231 HB2 0.02 0.14 0.17 -0.04 1.90 2.18 1r2cM1 ARG 231 HB3 0.01 -0.11 0.17 -0.04 1.80 1.83 1r2cM1 ARG 231 HG2 0.01 -0.00 -0.04 -0.04 1.67 1.59 1r2cM1 ARG 231 HG3 0.01 0.01 0.06 -0.04 1.67 1.72 1r2cM1 ARG 231 HD2 0.01 -0.05 0.04 -0.04 3.22 3.18 1r2cM1 ARG 231 HD3 0.00 0.01 0.01 -0.04 3.22 3.20 1r2cM1 GLU 232 H 0.04 0.51 -0.48 -0.55 8.60 8.12 1r2cM1 GLU 232 HA 0.06 0.03 0.27 -0.75 4.29 3.89 1r2cM1 GLU 232 HB2 -0.02 -0.01 0.11 -0.04 2.09 2.13 1r2cM1 GLU 232 HB3 0.03 -0.04 -0.00 -0.04 1.99 1.94 1r2cM1 GLU 232 HG2 0.18 0.05 0.07 -0.04 2.34 2.59 1r2cM1 GLU 232 HG3 0.10 0.13 0.06 -0.04 2.34 2.60 1r2cM1 ILE 233 H -0.03 0.18 -0.12 -0.55 8.25 7.73 1r2cM1 ILE 233 HA -0.05 0.04 0.38 -0.75 4.18 3.80 1r2cM1 ILE 233 HB -0.03 0.00 0.08 -0.04 1.89 1.91 1r2cM1 ILE 233 HG12 -0.04 -0.01 0.08 -0.04 1.49 1.48 1r2cM1 ILE 233 HG13 -0.05 0.07 0.04 -0.04 1.21 1.24 1r2cM1 ILE 233 HG23 -0.04 0.01 -0.06 -0.04 0.93 0.80 1r2cM1 ILE 233 HD13 -0.09 -0.00 0.02 -0.04 0.88 0.76 1r2cM1 GLU 234 H -0.00 0.27 -0.10 -0.55 8.60 8.22 1r2cM1 GLU 234 HA -0.00 0.04 0.51 -0.75 4.29 4.09 1r2cM1 GLU 234 HB2 0.00 0.09 0.06 -0.04 2.09 2.21 1r2cM1 GLU 234 HB3 0.00 0.05 0.07 -0.04 1.99 2.07 1r2cM1 GLU 234 HG2 -0.00 0.04 0.02 -0.04 2.34 2.35 1r2cM1 GLU 234 HG3 -0.01 0.01 0.01 -0.04 2.34 2.31 1r2cM1 GLN 235 H 0.01 0.29 -0.52 -0.55 8.47 7.71 1r2cM1 GLN 235 HA 0.02 0.17 0.45 -0.75 4.36 4.25 1r2cM1 GLN 235 HB2 0.04 0.16 0.10 -0.04 2.15 2.41 1r2cM1 GLN 235 HB3 0.05 -0.17 0.01 -0.04 2.02 1.86 1r2cM1 GLN 235 HG2 0.04 0.18 -0.23 -0.04 2.40 2.35 1r2cM1 GLN 235 HG3 0.06 0.01 -0.18 -0.04 2.39 2.23 1r2cM1 GLN 235 HE21 0.04 -0.17 -0.04 -0.04 6.97 6.76 1r2cM1 GLN 235 HE22 0.06 0.07 -0.33 -0.04 7.69 7.45 1r2cM1 ILE 236 H 0.01 0.42 -0.23 -0.55 8.25 7.90 1r2cM1 ILE 236 HA 0.02 -0.10 0.42 -0.75 4.18 3.77 1r2cM1 ILE 236 HB -0.01 0.27 0.30 -0.04 1.89 2.40 1r2cM1 ILE 236 HG12 0.03 -0.22 -0.09 -0.04 1.49 1.17 1r2cM1 ILE 236 HG13 0.01 0.30 -0.01 -0.04 1.21 1.46 1r2cM1 ILE 236 HG23 -0.01 -0.02 -0.10 -0.04 0.93 0.76 1r2cM1 ILE 236 HD13 -0.05 -0.01 -0.04 -0.04 0.88 0.73 1r2cM1 THR 237 H -0.01 0.43 0.11 -0.55 8.28 8.26 1r2cM1 THR 237 HA -0.00 0.01 0.37 -0.75 4.39 4.02 1r2cM1 THR 237 HB -0.01 -0.00 0.07 -0.04 4.32 4.34 1r2cM1 THR 237 HG23 -0.01 0.01 0.07 -0.04 1.22 1.25 1r2cM1 ASP 238 H 0.01 0.23 -0.87 -0.55 8.40 7.22 1r2cM1 ASP 238 HA 0.01 0.07 0.66 -0.75 4.63 4.61 1r2cM1 ASP 238 HB2 0.00 -0.04 -0.19 -0.04 2.71 2.44 1r2cM1 ASP 238 HB3 0.01 0.06 0.14 -0.04 2.70 2.86 1r2cM1 ARG 239 H 0.01 0.10 0.00 -0.55 8.46 8.02 1r2cM1 ARG 239 HA 0.01 0.12 0.47 -0.75 4.34 4.19 1r2cM1 ARG 239 HB2 0.01 0.03 0.15 -0.04 1.90 2.06 1r2cM1 ARG 239 HB3 0.01 -0.01 0.10 -0.04 1.80 1.85 1r2cM1 ARG 239 HG2 -0.00 -0.02 -0.29 -0.04 1.67 1.32 1r2cM1 ARG 239 HG3 0.01 -0.07 0.01 -0.04 1.67 1.58 1r2cM1 ARG 239 HD2 0.00 -0.03 -0.07 -0.04 3.22 3.08 1r2cM1 ARG 239 HD3 0.01 0.01 -0.00 -0.04 3.22 3.20 1r2cM1 GLY 240 H 0.01 0.04 0.32 -0.55 8.43 8.25 1r2cM1 GLY 240 HA2 -0.00 0.25 0.93 -0.51 4.01 4.67 1r2cM1 GLY 240 HA3 0.01 0.09 0.39 -0.51 4.01 3.99 1r2cM1 THR 241 H -0.03 0.27 0.17 -0.55 8.28 8.14 1r2cM1 THR 241 HA -0.10 0.04 0.33 -0.75 4.39 3.90 1r2cM1 THR 241 HB -0.09 0.06 0.16 -0.04 4.32 4.41 1r2cM1 THR 241 HG23 -0.14 0.02 -0.03 -0.04 1.22 1.03 1r2cM1 ALA 242 H -0.02 0.09 -0.61 -0.55 8.40 7.31 1r2cM1 ALA 242 HA -0.08 0.11 0.42 -0.75 4.34 4.04 1r2cM1 ALA 242 HB3 0.09 0.02 -0.04 -0.04 1.41 1.44 1r2cM1 VAL 243 H 0.01 0.20 0.08 -0.55 8.24 7.98 1r2cM1 VAL 243 HA 0.03 0.06 0.46 -0.75 4.13 3.93 1r2cM1 VAL 243 HB 0.04 -0.08 0.09 -0.04 2.12 2.13 1r2cM1 VAL 243 HG13 0.07 0.01 0.04 -0.04 0.97 1.05 1r2cM1 VAL 243 HG23 0.01 0.06 0.11 -0.04 0.95 1.09 1r2cM1 GLU 244 H -0.05 0.36 -0.42 -0.55 8.60 7.94 1r2cM1 GLU 244 HA -0.05 0.06 0.45 -0.75 4.29 4.00 1r2cM1 GLU 244 HB2 -0.10 0.04 0.07 -0.04 2.09 2.07 1r2cM1 GLU 244 HB3 -0.08 0.02 -0.03 -0.04 1.99 1.87 1r2cM1 GLU 244 HG2 -0.02 -0.00 -0.08 -0.04 2.34 2.19 1r2cM1 GLU 244 HG3 -0.03 0.03 -0.34 -0.04 2.34 1.95 1r2cM1 ARG 245 H -0.15 0.63 -0.09 -0.55 8.46 8.30 1r2cM1 ARG 245 HA -0.25 0.01 0.43 -0.75 4.34 3.78 1r2cM1 ARG 245 HB2 -0.20 0.13 0.16 -0.04 1.90 1.95 1r2cM1 ARG 245 HB3 -0.19 -0.02 0.06 -0.04 1.80 1.60 1r2cM1 ARG 245 HG2 -0.24 -0.08 0.04 -0.04 1.67 1.36 1r2cM1 ARG 245 HG3 -0.29 0.41 0.24 -0.04 1.67 1.98 1r2cM1 ARG 245 HD2 -0.78 -0.00 0.02 -0.04 3.22 2.41 1r2cM1 ARG 245 HD3 -0.33 -0.01 0.02 -0.04 3.22 2.86 1r2cM1 ALA 246 H -0.04 0.46 -0.07 -0.55 8.40 8.20 1r2cM1 ALA 246 HA 0.03 0.09 0.38 -0.75 4.34 4.08 1r2cM1 ALA 246 HB3 0.09 0.00 0.04 -0.04 1.41 1.50 1r2cM1 ALA 247 H -0.01 0.56 -0.31 -0.55 8.40 8.10 1r2cM1 ALA 247 HA 0.08 -0.05 0.41 -0.75 4.34 4.02 1r2cM1 ALA 247 HB3 -0.02 0.04 0.16 -0.04 1.41 1.54 1r2cM1 LEU 248 H -0.23 0.66 0.03 -0.55 8.37 8.28 1r2cM1 LEU 248 HA -0.55 -0.03 0.39 -0.75 4.35 3.41 1r2cM1 LEU 248 HB2 -0.70 0.05 0.10 -0.04 1.64 1.05 1r2cM1 LEU 248 HB3 -1.90 -0.02 0.02 -0.04 1.64 -0.30 1r2cM1 LEU 248 HG -0.23 0.15 0.09 -0.04 1.64 1.61 1r2cM1 LEU 248 HD13 -0.15 -0.02 -0.06 -0.04 0.93 0.66 1r2cM1 LEU 248 HD23 -0.08 -0.02 -0.02 -0.04 0.89 0.73 1r2cM1 PHE 249 H -0.21 0.58 -0.42 -0.55 8.34 7.74 1r2cM1 PHE 249 HA -0.41 0.01 0.37 -0.75 4.62 3.84 1r2cM1 PHE 249 HB2 -0.34 0.01 0.10 -0.04 3.15 2.88 1r2cM1 PHE 249 HB3 -0.42 0.17 0.19 -0.04 3.06 2.96 1r2cM1 PHE 249 HD2 -1.27 -0.01 -0.05 -0.04 7.28 5.92 1r2cM1 PHE 249 HE2 -1.33 -0.02 -0.04 -0.04 7.38 5.95 1r2cM1 PHE 249 HZ -0.49 -0.01 -0.04 -0.04 7.32 6.74 1r2cM1 TRP 250 H -0.00 0.40 -0.09 -0.55 7.97 7.72 1r2cM1 TRP 250 HA -0.38 0.05 0.54 -0.75 4.62 4.07 1r2cM1 TRP 250 HB2 -0.15 0.05 0.20 -0.04 3.23 3.29 1r2cM1 TRP 250 HB3 -0.27 0.03 0.07 -0.04 3.23 3.03 1r2cM1 TRP 250 HD1 0.05 0.16 0.04 -0.04 7.22 7.43 1r2cM1 TRP 250 HE1 0.07 0.00 -0.02 -0.04 10.20 10.21 1r2cM1 TRP 250 HE3 -0.19 -0.04 0.07 -0.04 7.59 7.39 1r2cM1 TRP 250 HZ2 0.08 0.05 -0.01 -0.04 7.44 7.53 1r2cM1 TRP 250 HZ3 -0.02 0.01 -0.02 -0.04 7.13 7.06 1r2cM1 TRP 250 HH2 0.09 0.00 -0.01 -0.04 7.19 7.22 1r2cM1 ARG 251 H -0.05 0.69 -0.02 -0.55 8.46 8.52 1r2cM1 ARG 251 HA 0.03 0.01 0.02 -0.75 4.34 3.65 1r2cM1 ARG 251 HB2 0.00 -0.01 -0.10 -0.04 1.90 1.75 1r2cM1 ARG 251 HB3 -0.04 0.02 -0.00 -0.04 1.80 1.73 1r2cM1 ARG 251 HG2 0.20 0.05 -0.29 -0.04 1.67 1.59 1r2cM1 ARG 251 HG3 0.13 -0.06 -0.20 -0.04 1.67 1.50 1r2cM1 ARG 251 HD2 0.09 -0.05 -0.10 -0.04 3.22 3.12 1r2cM1 ARG 251 HD3 0.24 0.01 -0.11 -0.04 3.22 3.33 1r2cM1 TRP 252 H -0.11 0.58 -0.24 -0.55 7.97 7.66 1r2cM1 TRP 252 HA -0.06 0.01 0.34 -0.75 4.62 4.15 1r2cM1 TRP 252 HB2 -0.20 0.16 0.07 -0.04 3.23 3.22 1r2cM1 TRP 252 HB3 -0.11 -0.07 0.08 -0.04 3.23 3.08 1r2cM1 TRP 252 HD1 -0.03 -0.06 -0.15 -0.04 7.22 6.94 1r2cM1 TRP 252 HE1 -0.01 -0.05 -0.02 -0.04 10.20 10.07 1r2cM1 TRP 252 HE3 -0.07 0.03 -0.03 -0.04 7.59 7.48 1r2cM1 TRP 252 HZ2 -0.02 -0.04 -0.02 -0.04 7.44 7.33 1r2cM1 TRP 252 HZ3 -0.02 -0.02 -0.03 -0.04 7.13 7.02 1r2cM1 TRP 252 HH2 -0.02 -0.04 -0.02 -0.04 7.19 7.07 1r2cM1 THR 253 H -0.13 0.14 -0.70 -0.55 8.28 7.04 1r2cM1 THR 253 HA -0.11 0.11 0.79 -0.75 4.39 4.44 1r2cM1 THR 253 HB -0.41 -0.04 0.26 -0.04 4.32 4.09 1r2cM1 THR 253 HG23 -0.16 -0.03 -0.12 -0.04 1.22 0.87 1r2cM1 ILE 254 H 0.02 0.74 0.25 -0.55 8.25 8.71 1r2cM1 ILE 254 HA 0.08 0.20 0.90 -0.75 4.18 4.60 1r2cM1 ILE 254 HB 0.08 -0.05 0.18 -0.04 1.89 2.06 1r2cM1 ILE 254 HG12 -0.01 0.20 0.14 -0.04 1.49 1.79 1r2cM1 ILE 254 HG13 -0.41 -0.21 -0.11 -0.04 1.21 0.44 1r2cM1 ILE 254 HG23 0.17 -0.01 -0.02 -0.04 0.93 1.03 1r2cM1 ILE 254 HD13 -0.69 -0.03 -0.01 -0.04 0.88 0.11 1r2cM1 GLY 255 H 0.08 0.47 -0.14 -0.55 8.43 8.30 1r2cM1 GLY 255 HA2 0.14 0.04 0.36 -0.51 4.01 4.03 1r2cM1 GLY 255 HA3 0.20 0.07 0.59 -0.51 4.01 4.36 1r2cM1 PHE 256 H 0.02 0.25 -0.33 -0.55 8.34 7.72 1r2cM1 PHE 256 HA 0.06 0.12 0.67 -0.75 4.62 4.72 1r2cM1 PHE 256 HB2 0.06 -0.05 0.10 -0.04 3.15 3.22 1r2cM1 PHE 256 HB3 0.05 0.07 -0.15 -0.04 3.06 2.99 1r2cM1 PHE 256 HD2 0.03 0.10 -0.15 -0.04 7.28 7.22 1r2cM1 PHE 256 HE2 -0.10 0.00 -0.07 -0.04 7.38 7.17 1r2cM1 PHE 256 HZ -0.14 -0.02 -0.06 -0.04 7.32 7.06 1r2cM1 ASN 257 H 0.17 0.20 0.14 -0.55 8.53 8.49 1r2cM1 ASN 257 HA -0.25 0.20 0.82 -0.75 4.76 4.77 1r2cM1 ASN 257 HB2 0.01 -0.06 0.21 -0.04 2.88 3.00 1r2cM1 ASN 257 HB3 0.01 0.05 -0.12 -0.04 2.79 2.69 1r2cM1 ASN 257 HD21 0.06 -0.07 -0.14 -0.04 7.03 6.84 1r2cM1 ASN 257 HD22 0.05 0.36 -0.22 -0.04 7.74 7.89 1r2cM1 ALA 258 H -0.06 0.16 0.14 -0.55 8.40 8.10 1r2cM1 ALA 258 HA 0.14 0.20 0.82 -0.75 4.34 4.75 1r2cM1 ALA 258 HB3 -0.02 -0.03 0.04 -0.04 1.41 1.36 1r2cM1 THR 259 H 0.11 0.01 0.21 -0.55 8.28 8.06 1r2cM1 THR 259 HA 0.05 0.33 0.88 -0.75 4.39 4.89 1r2cM1 THR 259 HB 0.05 0.03 0.19 -0.04 4.32 4.56 1r2cM1 THR 259 HG23 0.06 0.06 -0.03 -0.04 1.22 1.27 1r2cM1 ILE 260 H 0.06 0.26 0.14 -0.55 8.25 8.15 1r2cM1 ILE 260 HA 0.08 0.13 0.37 -0.75 4.18 4.02 1r2cM1 ILE 260 HB 0.08 -0.00 0.10 -0.04 1.89 2.03 1r2cM1 ILE 260 HG12 0.13 0.04 0.01 -0.04 1.49 1.63 1r2cM1 ILE 260 HG13 0.23 -0.01 -0.03 -0.04 1.21 1.36 1r2cM1 ILE 260 HG23 0.07 0.00 -0.22 -0.04 0.93 0.74 1r2cM1 ILE 260 HD13 0.21 0.01 0.04 -0.04 0.88 1.09 1r2cM1 GLU 261 H 0.08 0.05 -0.19 -0.55 8.60 7.99 1r2cM1 GLU 261 HA 0.17 0.21 0.60 -0.75 4.29 4.51 1r2cM1 GLU 261 HB2 0.03 0.05 0.06 -0.04 2.09 2.19 1r2cM1 GLU 261 HB3 0.05 -0.02 0.07 -0.04 1.99 2.04 1r2cM1 GLU 261 HG2 0.03 -0.04 -0.24 -0.04 2.34 2.05 1r2cM1 GLU 261 HG3 -0.01 0.02 0.03 -0.04 2.34 2.34 1r2cM1 SER 262 H 0.09 0.00 -0.10 -0.55 8.46 7.91 1r2cM1 SER 262 HA 0.09 0.10 0.40 -0.75 4.49 4.33 1r2cM1 SER 262 HB2 0.18 0.10 0.09 -0.04 3.95 4.27 1r2cM1 SER 262 HB3 0.11 0.05 0.14 -0.04 3.93 4.19 1r2cM1 VAL 263 H 0.05 0.54 -0.14 -0.55 8.24 8.14 1r2cM1 VAL 263 HA 0.11 0.03 0.32 -0.75 4.13 3.84 1r2cM1 VAL 263 HB -0.19 0.02 0.06 -0.04 2.12 1.97 1r2cM1 VAL 263 HG13 -0.53 0.04 -0.10 -0.04 0.97 0.34 1r2cM1 VAL 263 HG23 -0.42 0.01 -0.00 -0.04 0.95 0.49 1r2cM1 HIS 264 H -0.02 0.31 -0.57 -0.55 8.41 7.58 1r2cM1 HIS 264 HA -0.09 0.06 0.50 -0.75 4.63 4.34 1r2cM1 HIS 264 HB2 -0.03 0.22 0.16 -0.04 3.26 3.57 1r2cM1 HIS 264 HB3 -0.01 -0.06 0.04 -0.04 3.20 3.12 1r2cM1 HIS 264 HD2 -0.04 -0.02 0.02 -0.04 6.97 6.89 1r2cM1 HIS 264 HE1 0.09 -0.03 0.04 -0.04 7.75 7.80 1r2cM1 ARG 265 H 0.15 0.32 -0.09 -0.55 8.46 8.29 1r2cM1 ARG 265 HA 0.23 -0.00 0.45 -0.75 4.34 4.26 1r2cM1 ARG 265 HB2 0.04 0.15 0.27 -0.04 1.90 2.31 1r2cM1 ARG 265 HB3 -0.01 -0.02 0.00 -0.04 1.80 1.74 1r2cM1 ARG 265 HG2 -0.02 -0.02 0.04 -0.04 1.67 1.63 1r2cM1 ARG 265 HG3 0.02 0.03 0.03 -0.04 1.67 1.71 1r2cM1 ARG 265 HD2 -0.01 -0.06 -0.00 -0.04 3.22 3.11 1r2cM1 ARG 265 HD3 -0.05 0.02 -0.00 -0.04 3.22 3.15 1r2cM1 TRP 266 H 0.35 0.58 -0.05 -0.55 7.97 8.31 1r2cM1 TRP 266 HA 0.26 0.02 0.40 -0.75 4.62 4.55 1r2cM1 TRP 266 HB2 -0.11 0.12 0.18 -0.04 3.23 3.37 1r2cM1 TRP 266 HB3 -0.14 0.02 -0.03 -0.04 3.23 3.03 1r2cM1 TRP 266 HD1 -0.03 -0.05 -0.45 -0.04 7.22 6.65 1r2cM1 TRP 266 HE1 0.04 -0.03 -0.08 -0.04 10.20 10.09 1r2cM1 TRP 266 HE3 0.35 -0.02 -0.02 -0.04 7.59 7.87 1r2cM1 TRP 266 HZ2 0.14 0.02 -0.06 -0.04 7.44 7.51 1r2cM1 TRP 266 HZ3 0.37 0.02 -0.04 -0.04 7.13 7.45 1r2cM1 TRP 266 HH2 0.14 0.03 -0.04 -0.04 7.19 7.28 1r2cM1 GLY 267 H 0.15 0.61 -0.10 -0.55 8.43 8.53 1r2cM1 GLY 267 HA2 0.03 0.00 0.35 -0.51 4.01 3.89 1r2cM1 GLY 267 HA3 -0.02 0.07 0.30 -0.51 4.01 3.86 1r2cM1 TRP 268 H 0.39 0.68 -0.16 -0.55 7.97 8.33 1r2cM1 TRP 268 HA 0.11 -0.02 0.42 -0.75 4.62 4.37 1r2cM1 TRP 268 HB2 0.13 0.06 0.13 -0.04 3.23 3.50 1r2cM1 TRP 268 HB3 0.16 0.06 0.20 -0.04 3.23 3.61 1r2cM1 TRP 268 HD1 0.15 0.00 -0.02 -0.04 7.22 7.31 1r2cM1 TRP 268 HE1 0.24 0.09 -0.09 -0.04 10.20 10.39 1r2cM1 TRP 268 HE3 0.18 0.09 -0.07 -0.04 7.59 7.75 1r2cM1 TRP 268 HZ2 0.31 -0.02 0.01 -0.04 7.44 7.69 1r2cM1 TRP 268 HZ3 0.11 0.02 -0.04 -0.04 7.13 7.18 1r2cM1 TRP 268 HH2 0.08 0.01 -0.04 -0.04 7.19 7.21 1r2cM1 PHE 269 H 0.58 0.83 -0.06 -0.55 8.34 9.14 1r2cM1 PHE 269 HA -0.18 -0.06 0.39 -0.75 4.62 4.03 1r2cM1 PHE 269 HB2 0.19 -0.01 0.13 -0.04 3.15 3.42 1r2cM1 PHE 269 HB3 0.25 0.15 0.25 -0.04 3.06 3.67 1r2cM1 PHE 269 HD2 0.10 -0.00 -0.01 -0.04 7.28 7.33 1r2cM1 PHE 269 HE2 -0.05 0.01 -0.04 -0.04 7.38 7.25 1r2cM1 PHE 269 HZ -0.10 0.01 -0.04 -0.04 7.32 7.15 1r2cM1 PHE 270 H 0.58 0.82 0.04 -0.55 8.34 9.22 1r2cM1 PHE 270 HA -0.42 -0.03 0.38 -0.75 4.62 3.79 1r2cM1 PHE 270 HB2 0.12 0.10 0.14 -0.04 3.15 3.47 1r2cM1 PHE 270 HB3 0.10 0.02 -0.05 -0.04 3.06 3.09 1r2cM1 PHE 270 HD2 0.37 0.07 -0.01 -0.04 7.28 7.66 1r2cM1 PHE 270 HE2 0.52 -0.01 -0.02 -0.04 7.38 7.84 1r2cM1 PHE 270 HZ 0.32 0.01 -0.04 -0.04 7.32 7.57 1r2cM1 SER 271 H 0.04 0.62 -0.18 -0.55 8.46 8.39 1r2cM1 SER 271 HA -0.01 -0.01 0.41 -0.75 4.49 4.13 1r2cM1 SER 271 HB2 0.02 0.03 0.15 -0.04 3.95 4.11 1r2cM1 SER 271 HB3 -0.15 0.16 0.24 -0.04 3.93 4.14 1r2cM1 LEU 272 H -0.47 0.68 0.02 -0.55 8.37 8.06 1r2cM1 LEU 272 HA -0.31 -0.04 0.47 -0.75 4.35 3.72 1r2cM1 LEU 272 HB2 -1.03 -0.01 0.15 -0.04 1.64 0.72 1r2cM1 LEU 272 HB3 -0.66 0.19 0.24 -0.04 1.64 1.37 1r2cM1 LEU 272 HG -0.33 -0.05 -0.16 -0.04 1.64 1.06 1r2cM1 LEU 272 HD13 -0.19 -0.03 0.06 -0.04 0.93 0.72 1r2cM1 LEU 272 HD23 -0.45 -0.01 -0.03 -0.04 0.89 0.36 1r2cM1 MET 273 H -0.79 0.82 -0.07 -0.55 8.47 7.88 1r2cM1 MET 273 HA -0.60 -0.09 0.41 -0.75 4.52 3.48 1r2cM1 MET 273 HB2 -2.07 0.15 0.13 -0.04 2.15 0.33 1r2cM1 MET 273 HB3 -2.59 -0.06 0.01 -0.04 2.03 -0.65 1r2cM1 MET 273 HG2 -2.15 0.10 -0.04 -0.04 2.63 0.50 1r2cM1 MET 273 HG3 -1.77 -0.02 -0.04 -0.04 2.56 0.70 1r2cM1 MET 273 HE3 -0.25 -0.00 -0.01 -0.04 2.10 1.80 1r2cM1 VAL 274 H -0.31 0.54 -0.28 -0.55 8.24 7.65 1r2cM1 VAL 274 HA -0.02 0.01 0.48 -0.75 4.13 3.85 1r2cM1 VAL 274 HB -0.07 0.09 0.16 -0.04 2.12 2.25 1r2cM1 VAL 274 HG13 -0.05 0.00 -0.02 -0.04 0.97 0.86 1r2cM1 VAL 274 HG23 0.03 0.04 -0.04 -0.04 0.95 0.94 1r2cM1 MET 275 H -0.15 0.37 -0.08 -0.55 8.47 8.06 1r2cM1 MET 275 HA -0.26 0.06 0.50 -0.75 4.52 4.06 1r2cM1 MET 275 HB2 -0.05 0.10 0.10 -0.04 2.15 2.26 1r2cM1 MET 275 HB3 0.06 0.04 -0.22 -0.04 2.03 1.86 1r2cM1 MET 275 HG2 -0.02 0.05 0.02 -0.04 2.63 2.64 1r2cM1 MET 275 HG3 0.08 -0.05 -0.05 -0.04 2.56 2.50 1r2cM1 MET 275 HE3 -0.11 0.02 -0.12 -0.04 2.10 1.84 1r2cM1 VAL 276 H -0.16 0.65 0.06 -0.55 8.24 8.24 1r2cM1 VAL 276 HA 0.02 0.03 0.43 -0.75 4.13 3.85 1r2cM1 VAL 276 HB -0.21 0.01 0.10 -0.04 2.12 1.99 1r2cM1 VAL 276 HG13 -0.07 -0.01 -0.11 -0.04 0.97 0.75 1r2cM1 VAL 276 HG23 -0.13 0.05 0.01 -0.04 0.95 0.83 1r2cM1 SER 277 H -0.11 0.63 -0.12 -0.55 8.46 8.32 1r2cM1 SER 277 HA 0.14 -0.02 0.37 -0.75 4.49 4.22 1r2cM1 SER 277 HB2 0.05 0.13 0.19 -0.04 3.95 4.28 1r2cM1 SER 277 HB3 0.19 -0.07 0.06 -0.04 3.93 4.06 1r2cM1 ALA 278 H -0.11 0.49 -0.11 -0.55 8.40 8.13 1r2cM1 ALA 278 HA 0.03 -0.03 0.36 -0.75 4.34 3.95 1r2cM1 ALA 278 HB3 -0.50 0.03 0.11 -0.04 1.41 1.01 1r2cM1 SER 279 H 0.02 0.54 -0.30 -0.55 8.46 8.18 1r2cM1 SER 279 HA 0.31 0.01 0.47 -0.75 4.49 4.53 1r2cM1 SER 279 HB2 0.25 0.13 0.19 -0.04 3.95 4.48 1r2cM1 SER 279 HB3 0.37 -0.07 0.02 -0.04 3.93 4.21 1r2cM1 VAL 280 H 0.05 0.55 -0.09 -0.55 8.24 8.20 1r2cM1 VAL 280 HA -0.08 0.02 0.42 -0.75 4.13 3.73 1r2cM1 VAL 280 HB -0.10 0.16 0.19 -0.04 2.12 2.33 1r2cM1 VAL 280 HG13 -0.83 -0.02 -0.12 -0.04 0.97 -0.04 1r2cM1 VAL 280 HG23 -0.01 0.04 0.03 -0.04 0.95 0.96 1r2cM1 GLY 281 H 0.04 0.58 -0.05 -0.55 8.43 8.45 1r2cM1 GLY 281 HA2 -0.18 -0.06 0.35 -0.51 4.01 3.61 1r2cM1 GLY 281 HA3 0.05 -0.02 0.27 -0.51 4.01 3.80 1r2cM1 ILE 282 H 0.12 0.52 -0.33 -0.55 8.25 8.01 1r2cM1 ILE 282 HA 0.23 0.03 0.51 -0.75 4.18 4.20 1r2cM1 ILE 282 HB 0.17 0.07 0.16 -0.04 1.89 2.24 1r2cM1 ILE 282 HG12 0.37 0.16 0.06 -0.04 1.49 2.04 1r2cM1 ILE 282 HG13 0.36 -0.06 -0.02 -0.04 1.21 1.45 1r2cM1 ILE 282 HG23 0.05 -0.02 -0.23 -0.04 0.93 0.69 1r2cM1 ILE 282 HD13 0.28 -0.01 -0.05 -0.04 0.88 1.06 1r2cM1 LEU 283 H 0.04 0.66 0.06 -0.55 8.37 8.58 1r2cM1 LEU 283 HA 0.03 0.01 0.40 -0.75 4.35 4.03 1r2cM1 LEU 283 HB2 -0.01 0.03 0.20 -0.04 1.64 1.82 1r2cM1 LEU 283 HB3 0.02 -0.06 0.01 -0.04 1.64 1.57 1r2cM1 LEU 283 HG 0.06 0.13 0.08 -0.04 1.64 1.87 1r2cM1 LEU 283 HD13 0.20 -0.04 -0.06 -0.04 0.93 0.99 1r2cM1 LEU 283 HD23 0.02 -0.01 -0.01 -0.04 0.89 0.85 1r2cM1 LEU 284 H -0.08 0.55 -0.29 -0.55 8.37 8.01 1r2cM1 LEU 284 HA -0.01 0.02 0.52 -0.75 4.35 4.14 1r2cM1 LEU 284 HB2 -0.10 0.09 0.08 -0.04 1.64 1.67 1r2cM1 LEU 284 HB3 -0.02 -0.10 -0.03 -0.04 1.64 1.44 1r2cM1 LEU 284 HG -0.33 0.08 -0.01 -0.04 1.64 1.33 1r2cM1 LEU 284 HD13 -1.15 -0.03 -0.07 -0.04 0.93 -0.37 1r2cM1 LEU 284 HD23 0.10 -0.00 -0.04 -0.04 0.89 0.90 1r2cM1 THR 285 H 0.12 0.35 -0.19 -0.55 8.28 8.01 1r2cM1 THR 285 HA -0.07 -0.06 0.48 -0.75 4.39 3.98 1r2cM1 THR 285 HB 0.13 0.09 0.22 -0.04 4.32 4.72 1r2cM1 THR 285 HG23 -0.54 -0.02 -0.09 -0.04 1.22 0.53 1r2cM1 GLY 286 H -0.33 0.54 0.31 -0.55 8.43 8.41 1r2cM1 GLY 286 HA2 0.06 0.00 0.42 -0.51 4.01 3.98 1r2cM1 GLY 286 HA3 -0.06 0.10 0.50 -0.51 4.01 4.04 1r2cM1 THR 287 H -0.22 0.38 -1.03 -0.55 8.28 6.86 1r2cM1 THR 287 HA -0.36 0.08 0.44 -0.75 4.39 3.80 1r2cM1 THR 287 HB -0.98 -0.07 0.11 -0.04 4.32 3.34 1r2cM1 THR 287 HG23 -0.99 -0.04 -0.04 -0.04 1.22 0.11 1r2cM1 PHE 288 H -0.31 0.55 0.13 -0.55 8.34 8.15 1r2cM1 PHE 288 HA -0.07 0.23 0.92 -0.75 4.62 4.95 1r2cM1 PHE 288 HB2 -0.13 -0.00 0.02 -0.04 3.15 3.01 1r2cM1 PHE 288 HB3 -0.05 -0.05 0.13 -0.04 3.06 3.04 1r2cM1 PHE 288 HD2 -0.06 0.03 -0.04 -0.04 7.28 7.16 1r2cM1 PHE 288 HE2 -0.04 -0.02 -0.06 -0.04 7.38 7.22 1r2cM1 PHE 288 HZ -0.03 -0.03 -0.04 -0.04 7.32 7.17 1r2cM1 VAL 289 H -0.24 0.29 0.02 -0.55 8.24 7.76 1r2cM1 VAL 289 HA -0.26 0.14 0.70 -0.75 4.13 3.95 1r2cM1 VAL 289 HB -1.28 -0.00 -0.04 -0.04 2.12 0.75 1r2cM1 VAL 289 HG13 -1.43 -0.02 -0.18 -0.04 0.97 -0.70 1r2cM1 VAL 289 HG23 -1.03 0.01 -0.20 -0.04 0.95 -0.31 1r2cM1 ASP 290 H -0.15 0.07 0.08 -0.55 8.40 7.85 1r2cM1 ASP 290 HA 0.07 0.24 0.95 -0.75 4.63 5.14 1r2cM1 ASP 290 HB2 -0.02 -0.02 -0.01 -0.04 2.71 2.62 1r2cM1 ASP 290 HB3 -0.01 -0.01 -0.04 -0.04 2.70 2.61 1r2cM1 ASN 291 H -0.14 -0.01 -0.04 -0.55 8.53 7.79 1r2cM1 ASN 291 HA 0.10 0.27 0.34 -0.75 4.76 4.72 1r2cM1 ASN 291 HB2 0.04 0.19 -0.20 -0.04 2.88 2.87 1r2cM1 ASN 291 HB3 0.06 -0.08 0.14 -0.04 2.79 2.87 1r2cM1 ASN 291 HD21 0.12 0.00 0.06 -0.04 7.03 7.18 1r2cM1 ASN 291 HD22 0.06 0.10 0.03 -0.04 7.74 7.89 1r2cM1 TRP 292 H 0.21 0.72 0.06 -0.55 7.97 8.42 1r2cM1 TRP 292 HA 0.17 -0.05 0.29 -0.75 4.62 4.28 1r2cM1 TRP 292 HB2 0.13 0.29 -0.05 -0.04 3.23 3.56 1r2cM1 TRP 292 HB3 0.14 0.01 -0.39 -0.04 3.23 2.95 1r2cM1 TRP 292 HD1 0.04 0.23 -0.07 -0.04 7.22 7.38 1r2cM1 TRP 292 HE1 -0.21 0.04 -0.02 -0.04 10.20 9.97 1r2cM1 TRP 292 HE3 -0.29 0.15 0.12 -0.04 7.59 7.52 1r2cM1 TRP 292 HZ2 -0.25 0.11 -0.09 -0.04 7.44 7.16 1r2cM1 TRP 292 HZ3 -1.13 0.02 0.04 -0.04 7.13 6.01 1r2cM1 TRP 292 HH2 -0.36 0.01 -0.04 -0.04 7.19 6.76 1r2cM1 TYR 293 H 0.39 0.30 -0.18 -0.55 8.29 8.25 1r2cM1 TYR 293 HA -0.07 0.09 0.61 -0.75 4.56 4.43 1r2cM1 TYR 293 HB2 -0.05 0.09 0.12 -0.04 3.06 3.18 1r2cM1 TYR 293 HB3 0.02 -0.07 0.15 -0.04 2.98 3.05 1r2cM1 TYR 293 HD2 -0.73 -0.01 -0.00 -0.04 7.15 6.37 1r2cM1 TYR 293 HE2 -0.17 0.05 -0.03 -0.04 6.85 6.66 1r2cM1 LEU 294 H 0.16 0.17 0.05 -0.55 8.37 8.20 1r2cM1 LEU 294 HA -0.24 0.03 0.45 -0.75 4.35 3.84 1r2cM1 LEU 294 HB2 0.07 0.08 0.17 -0.04 1.64 1.92 1r2cM1 LEU 294 HB3 -0.00 0.01 0.07 -0.04 1.64 1.68 1r2cM1 LEU 294 HG 0.16 -0.04 0.10 -0.04 1.64 1.82 1r2cM1 LEU 294 HD13 0.04 0.01 0.03 -0.04 0.93 0.98 1r2cM1 LEU 294 HD23 0.01 0.00 0.03 -0.04 0.89 0.90 1r2cM1 TRP 295 H 0.27 0.58 -0.25 -0.55 7.97 8.03 1r2cM1 TRP 295 HA 0.03 0.03 0.40 -0.75 4.62 4.33 1r2cM1 TRP 295 HB2 -0.12 -0.10 -0.01 -0.04 3.23 2.96 1r2cM1 TRP 295 HB3 0.15 0.21 0.06 -0.04 3.23 3.60 1r2cM1 TRP 295 HD1 -0.01 -0.01 0.05 -0.04 7.22 7.21 1r2cM1 TRP 295 HE1 0.09 0.02 0.01 -0.04 10.20 10.29 1r2cM1 TRP 295 HE3 0.36 0.18 -0.17 -0.04 7.59 7.93 1r2cM1 TRP 295 HZ2 0.04 -0.01 -0.00 -0.04 7.44 7.43 1r2cM1 TRP 295 HZ3 0.17 0.01 0.02 -0.04 7.13 7.29 1r2cM1 TRP 295 HH2 0.10 -0.03 0.01 -0.04 7.19 7.23 1r2cM1 CYS 296 H 0.25 0.45 -0.30 -0.55 8.50 8.34 1r2cM1 CYS 296 HA 0.07 0.09 0.62 -0.75 4.58 4.60 1r2cM1 CYS 296 HB2 0.10 0.20 0.33 -0.04 2.97 3.57 1r2cM1 CYS 296 HB3 0.15 -0.28 0.08 -0.04 2.97 2.87 1r2cM1 VAL 297 H -0.27 0.52 0.03 -0.55 8.24 7.97 1r2cM1 VAL 297 HA -0.20 0.05 0.41 -0.75 4.13 3.64 1r2cM1 VAL 297 HB -0.27 0.07 0.23 -0.04 2.12 2.11 1r2cM1 VAL 297 HG13 -0.15 0.00 -0.09 -0.04 0.97 0.69 1r2cM1 VAL 297 HG23 -0.74 0.05 -0.00 -0.04 0.95 0.23 1r2cM1 LYS 298 H -0.17 0.78 -0.05 -0.55 8.42 8.42 1r2cM1 LYS 298 HA -0.21 -0.01 0.35 -0.75 4.32 3.70 1r2cM1 LYS 298 HB2 -0.18 -0.04 0.12 -0.04 1.87 1.72 1r2cM1 LYS 298 HB3 -0.30 0.11 0.17 -0.04 1.79 1.73 1r2cM1 LYS 298 HG2 -0.93 0.03 -0.23 -0.04 1.46 0.30 1r2cM1 LYS 298 HG3 -0.34 -0.04 0.03 -0.04 1.46 1.06 1r2cM1 LYS 298 HD2 -0.14 -0.04 0.01 -0.04 1.69 1.48 1r2cM1 LYS 298 HD3 -0.18 -0.00 0.02 -0.04 1.68 1.47 1r2cM1 LYS 298 HE2 -0.33 0.01 -0.02 -0.04 2.99 2.61 1r2cM1 LYS 298 HE3 -0.21 -0.02 -0.01 -0.04 2.99 2.71 1r2cM1 HIS 299 H -0.25 0.28 -0.44 -0.55 8.41 7.45 1r2cM1 HIS 299 HA -0.23 0.12 0.71 -0.75 4.63 4.47 1r2cM1 HIS 299 HB2 -0.58 0.04 0.17 -0.04 3.26 2.86 1r2cM1 HIS 299 HB3 -0.33 -0.05 0.21 -0.04 3.20 2.98 1r2cM1 HIS 299 HD2 -0.23 -0.02 0.03 -0.04 6.97 6.71 1r2cM1 HIS 299 HE1 -0.43 -0.03 0.01 -0.04 7.75 7.25 1r2cM1 GLY 300 H -0.14 0.56 -0.59 -0.55 8.43 7.70 1r2cM1 GLY 300 HA2 -0.08 0.04 0.31 -0.51 4.01 3.76 1r2cM1 GLY 300 HA3 -0.06 -0.05 0.35 -0.51 4.01 3.74 1r2cM1 ALA 301 H -0.05 0.70 -0.14 -0.55 8.40 8.37 1r2cM1 ALA 301 HA 0.01 0.13 0.70 -0.75 4.34 4.43 1r2cM1 ALA 301 HB3 0.07 -0.05 0.05 -0.04 1.41 1.44 1r2cM1 ALA 302 H -0.01 0.00 -0.27 -0.55 8.40 7.58 1r2cM1 ALA 302 HA 0.27 0.03 0.30 -0.75 4.34 4.19 1r2cM1 ALA 302 HB3 -0.15 -0.00 0.00 -0.04 1.41 1.22 1r2cM1 PRO 303 HA -0.08 0.12 0.59 -0.51 4.44 4.56 1r2cM1 PRO 303 HB2 -0.24 0.03 0.02 -0.04 2.28 2.04 1r2cM1 PRO 303 HB3 -0.00 0.04 0.10 -0.04 2.02 2.12 1r2cM1 PRO 303 HG2 0.14 -0.01 0.01 -0.04 2.03 2.13 1r2cM1 PRO 303 HG3 0.18 0.00 0.04 -0.04 2.03 2.21 1r2cM1 PRO 303 HD2 0.45 -0.00 0.19 -0.04 3.68 4.27 1r2cM1 PRO 303 HD3 0.22 0.17 0.12 -0.04 3.65 4.12 1r2cM1 ASP 304 H -0.28 0.20 0.20 -0.55 8.40 7.98 1r2cM1 ASP 304 HA -0.26 0.15 0.83 -0.75 4.63 4.60 1r2cM1 ASP 304 HB2 -0.07 0.07 -0.15 -0.04 2.71 2.52 1r2cM1 ASP 304 HB3 -0.10 -0.02 -0.00 -0.04 2.70 2.53 1r2cM1 TYR 305 H 0.01 0.22 0.15 -0.55 8.29 8.11 1r2cM1 TYR 305 HA 0.03 0.20 0.94 -0.75 4.56 4.98 1r2cM1 TYR 305 HB2 0.03 0.03 -0.04 -0.04 3.06 3.04 1r2cM1 TYR 305 HB3 0.03 0.03 0.07 -0.04 2.98 3.07 1r2cM1 TYR 305 HD2 0.03 0.01 -0.07 -0.04 7.15 7.08 1r2cM1 TYR 305 HE2 0.05 -0.00 -0.10 -0.04 6.85 6.75 1r2cM1 PRO 306 HA 0.07 0.01 0.44 -0.51 4.44 4.45 1r2cM1 PRO 306 HB2 0.09 0.10 -0.01 -0.04 2.28 2.43 1r2cM1 PRO 306 HB3 0.06 -0.00 0.13 -0.04 2.02 2.17 1r2cM1 PRO 306 HG2 0.08 0.03 0.07 -0.04 2.03 2.16 1r2cM1 PRO 306 HG3 0.06 0.02 0.06 -0.04 2.03 2.13 1r2cM1 PRO 306 HD2 0.16 0.09 0.17 -0.04 3.68 4.07 1r2cM1 PRO 306 HD3 0.13 0.15 0.22 -0.04 3.65 4.10 1r2cM1 ALA 307 H 0.06 0.03 0.16 -0.55 8.40 8.11 1r2cM1 ALA 307 HA 0.09 0.09 0.59 -0.75 4.34 4.36 1r2cM1 ALA 307 HB3 0.04 0.07 0.06 -0.04 1.41 1.54 1r2cM1 TYR 308 H 0.15 0.04 0.15 -0.55 8.29 8.08 1r2cM1 TYR 308 HA 0.01 0.14 0.72 -0.75 4.56 4.68 1r2cM1 TYR 308 HB2 -0.00 0.05 -0.01 -0.04 3.06 3.05 1r2cM1 TYR 308 HB3 -0.00 -0.11 0.15 -0.04 2.98 2.98 1r2cM1 TYR 308 HD2 -0.00 0.01 -0.04 -0.04 7.15 7.07 1r2cM1 TYR 308 HE2 -0.00 -0.01 -0.03 -0.04 6.85 6.76 1r2cM1 LEU 309 H 0.16 0.01 0.16 -0.55 8.37 8.15 1r2cM1 LEU 309 HA -0.09 0.16 0.67 -0.75 4.35 4.33 1r2cM1 LEU 309 HB2 0.06 -0.02 0.04 -0.04 1.64 1.69 1r2cM1 LEU 309 HB3 0.02 0.08 0.09 -0.04 1.64 1.79 1r2cM1 LEU 309 HG 0.25 -0.08 0.01 -0.04 1.64 1.77 1r2cM1 LEU 309 HD13 0.07 0.00 0.01 -0.04 0.93 0.97 1r2cM1 LEU 309 HD23 -0.01 0.02 -0.03 -0.04 0.89 0.82 1r2cM1 PRO 310 HA -0.01 -0.03 0.40 -0.51 4.44 4.29 1r2cM1 PRO 310 HB2 -0.00 0.16 -0.01 -0.04 2.28 2.39 1r2cM1 PRO 310 HB3 -0.02 -0.01 0.10 -0.04 2.02 2.05 1r2cM1 PRO 310 HG2 -0.01 0.03 0.07 -0.04 2.03 2.08 1r2cM1 PRO 310 HG3 -0.02 0.03 0.07 -0.04 2.03 2.07 1r2cM1 PRO 310 HD2 -0.03 0.04 0.21 -0.04 3.68 3.87 1r2cM1 PRO 310 HD3 -0.05 0.14 0.14 -0.04 3.65 3.85 1r2cM1 ALA 311 H 0.01 0.03 0.16 -0.55 8.40 8.05 1r2cM1 ALA 311 HA 0.02 0.02 0.41 -0.75 4.34 4.04 1r2cM1 ALA 311 HB3 0.02 -0.00 0.07 -0.04 1.41 1.45 1r2cM1 THR 312 H 0.02 0.11 0.13 -0.55 8.28 7.98 1r2cM1 THR 312 HA 0.01 0.28 1.07 -0.75 4.39 4.99 1r2cM1 THR 312 HB 0.01 -0.08 0.11 -0.04 4.32 4.32 1r2cM1 THR 312 HG23 0.00 0.01 -0.13 -0.04 1.22 1.06 1r2cM1 PRO 313 HA 0.00 -0.02 0.40 -0.51 4.44 4.32 1r2cM1 PRO 313 HB2 0.00 0.03 -0.06 -0.04 2.28 2.22 1r2cM1 PRO 313 HB3 0.00 0.03 0.00 -0.04 2.02 2.01 1r2cM1 PRO 313 HG2 0.00 0.04 0.02 -0.04 2.03 2.05 1r2cM1 PRO 313 HG3 0.00 0.01 -0.02 -0.04 2.03 1.98 1r2cM1 PRO 313 HD2 0.00 0.10 0.16 -0.04 3.68 3.90 1r2cM1 PRO 313 HD3 0.00 0.32 0.12 -0.04 3.65 4.06 1r2cM1 ASP 314 H 0.00 0.09 0.15 -0.55 8.40 8.09 1r2cM1 ASP 314 HA 0.00 0.13 0.44 -0.75 4.63 4.44 1r2cM1 ASP 314 HB2 0.00 0.06 0.16 -0.04 2.71 2.89 1r2cM1 ASP 314 HB3 0.00 -0.03 0.16 -0.04 2.70 2.79 1r2cM1 PRO 315 HA -0.00 0.09 0.41 -0.51 4.44 4.42 1r2cM1 PRO 315 HB2 -0.00 -0.00 0.06 -0.04 2.28 2.29 1r2cM1 PRO 315 HB3 -0.00 0.04 0.09 -0.04 2.02 2.11 1r2cM1 PRO 315 HG2 -0.00 0.00 0.09 -0.04 2.03 2.08 1r2cM1 PRO 315 HG3 -0.00 0.11 0.11 -0.04 2.03 2.21 1r2cM1 PRO 315 HD2 -0.00 0.02 0.22 -0.04 3.68 3.87 1r2cM1 PRO 315 HD3 0.00 0.24 0.25 -0.04 3.65 4.10 1r2cM1 ALA 316 H -0.00 0.07 -0.22 -0.55 8.40 7.70 1r2cM1 ALA 316 HA -0.00 0.18 0.38 -0.75 4.34 4.15 1r2cM1 ALA 316 HB3 -0.01 -0.01 0.05 -0.04 1.41 1.40 1r2cM1 SER 317 H -0.00 0.36 -0.50 -0.55 8.46 7.77 1r2cM1 SER 317 HA -0.00 0.16 0.78 -0.75 4.49 4.67 1r2cM1 SER 317 HB2 -0.00 -0.04 0.09 -0.04 3.95 3.95 1r2cM1 SER 317 HB3 -0.00 -0.10 -0.00 -0.04 3.93 3.78 1r2cM1 LEU 318 H -0.00 0.28 -0.22 -0.55 8.37 7.88 1r2cM1 LEU 318 HA -0.00 0.01 0.39 -0.75 4.35 3.99 1r2cM1 LEU 318 HB2 -0.00 0.09 -0.04 -0.04 1.64 1.64 1r2cM1 LEU 318 HB3 -0.00 0.01 0.01 -0.04 1.64 1.62 1r2cM1 LEU 318 HG -0.00 0.03 0.03 -0.04 1.64 1.66 1r2cM1 LEU 318 HD13 -0.00 -0.01 -0.00 -0.04 0.93 0.88 1r2cM1 LEU 318 HD23 -0.00 -0.03 -0.08 -0.04 0.89 0.74 1r2cM1 PRO 319 HA -0.00 0.02 0.51 -0.51 4.44 4.45 1r2cM1 PRO 319 HB2 -0.00 -0.00 0.01 -0.04 2.28 2.25 1r2cM1 PRO 319 HB3 -0.00 0.01 0.10 -0.04 2.02 2.09 1r2cM1 PRO 319 HG2 -0.00 0.04 0.13 -0.04 2.03 2.16 1r2cM1 PRO 319 HG3 -0.00 -0.00 0.09 -0.04 2.03 2.07 1r2cM1 PRO 319 HD2 -0.00 0.06 0.19 -0.04 3.68 3.89 1r2cM1 PRO 319 HD3 -0.00 0.13 0.18 -0.04 3.65 3.91 1r2cM1 GLY 320 H -0.00 0.10 0.17 -0.55 8.43 8.15 1r2cM1 GLY 320 HA2 -0.00 -0.02 0.32 -0.51 4.01 3.79 1r2cM1 GLY 320 HA3 -0.00 0.03 0.45 -0.51 4.01 3.97 1r2cM1 ALA 321 H -0.00 0.16 0.06 -0.55 8.40 8.08 1r2cM1 ALA 321 HA -0.00 0.15 0.83 -0.75 4.34 4.56 1r2cM1 ALA 321 HB3 -0.00 0.01 -0.06 -0.04 1.41 1.31 1r2cM1 PRO 322 HA -0.00 0.01 0.43 -0.51 4.44 4.37 1r2cM1 PRO 322 HB2 -0.00 0.10 -0.02 -0.04 2.28 2.32 1r2cM1 PRO 322 HB3 -0.00 -0.04 0.11 -0.04 2.02 2.04 1r2cM1 PRO 322 HG2 -0.00 0.01 0.05 -0.04 2.03 2.05 1r2cM1 PRO 322 HG3 -0.00 0.02 0.02 -0.04 2.03 2.02 1r2cM1 PRO 322 HD2 -0.00 0.09 0.14 -0.04 3.68 3.87 1r2cM1 PRO 322 HD3 -0.00 0.18 0.18 -0.04 3.65 3.97 1r2cM1 LYS 323 H -0.00 0.03 0.06 -0.55 8.42 7.95 1r2cM1 LYS 323 HA -0.01 0.22 0.41 -0.75 4.32 4.19 1r2cM1 LYS 323 HB2 -0.01 0.02 0.07 -0.04 1.87 1.91 1r2cM1 LYS 323 HB3 -0.01 -0.02 0.10 -0.04 1.79 1.82 1r2cM1 LYS 323 HG2 -0.01 0.05 0.05 -0.04 1.46 1.52 1r2cM1 LYS 323 HG3 -0.01 -0.01 0.04 -0.04 1.46 1.44 1r2cM1 LYS 323 HD2 -0.01 0.01 0.04 -0.04 1.69 1.69 1r2cM1 LYS 323 HD3 -0.01 0.01 0.03 -0.04 1.68 1.66 1r2cM1 LYS 323 HE2 -0.01 -0.02 0.03 -0.04 2.99 2.95 1r2cM1 LYS 323 HE3 -0.01 0.00 0.02 -0.04 2.99 2.96