============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 60 rings ring int. center anis. iso. PHE 11 1.000 -10.995 -21.664 -2.099 -99.200 -91.000 PHE 14 1.000 -4.599 -24.545 -5.471 -99.200 -91.000 PHE 15 1.000 -8.420 -25.854 -2.583 -99.200 -91.000 HIS 16 0.900 -12.231 -28.607 -12.259 -99.200 -91.000 HIS 20 0.900 -10.217 -30.569 -3.885 -99.200 -91.000 HIS 31 0.900 -32.944 -26.694 1.593 -99.200 -91.000 PHE 38 1.000 -31.463 -16.963 8.476 -99.200 -91.000 PHE 46 1.000 -20.310 -30.470 0.373 -99.200 -91.000 PHE 50 1.000 -17.078 -33.055 5.964 -99.200 -91.000 TYR 58 0.840 -19.437 -34.194 -4.787 -99.200 -91.000 HIS 74 0.900 -21.983 -20.190 14.700 -99.200 -91.000 TYR 82 0.840 -21.335 0.202 15.899 -99.200 -91.000 HIS 86 0.900 -16.935 -8.964 13.984 -99.200 -91.000 HIS 87 0.900 -18.423 -8.334 5.956 -99.200 -91.000 PHE 89 1.000 -24.153 -12.874 1.218 -99.200 -91.000 PHE 90 1.000 -19.018 -15.264 6.610 -99.200 -91.000 PHE 96 1.000 -16.083 -28.121 1.936 -99.200 -91.000 PHE 98 1.000 -16.946 -34.512 0.926 -99.200 -91.000 TYR 101 0.840 -7.867 -33.234 0.297 -99.200 -91.000 PHE 102 1.000 -6.345 -36.434 8.660 -99.200 -91.000 PHE 109 1.000 -4.245 -30.344 -2.568 -99.200 -91.000 TRP 111 1.040 3.756 -22.856 1.357 -99.200 -91.000 TRP6 111 1.020 3.956 -21.147 2.974 -99.200 -91.000 TRP 119 1.040 -2.362 -20.885 -7.674 -99.200 -91.000 TRP6 119 1.020 -4.084 -21.157 -9.253 -99.200 -91.000 PHE 120 1.000 -5.645 -16.369 -3.161 -99.200 -91.000 TRP 128 1.040 3.223 -14.488 11.853 -99.200 -91.000 TRP6 128 1.020 4.617 -14.577 13.756 -99.200 -91.000 TYR 132 0.840 -5.502 -29.557 20.684 -99.200 -91.000 TYR 139 0.840 5.887 -27.650 15.530 -99.200 -91.000 TRP 142 1.040 1.325 -26.020 9.023 -99.200 -91.000 TRP6 142 1.020 1.023 -24.625 7.151 -99.200 -91.000 TYR 164 0.840 -10.061 -33.451 23.949 -99.200 -91.000 PHE 169 1.000 -9.983 -31.530 19.407 -99.200 -91.000 TRP 170 1.040 -15.523 -28.212 14.060 -99.200 -91.000 TRP6 170 1.020 -16.096 -30.304 13.126 -99.200 -91.000 PHE 185 1.000 -4.156 -16.422 13.287 -99.200 -91.000 TYR 186 0.840 -0.540 -10.710 4.667 -99.200 -91.000 HIS 188 0.900 -3.501 -5.873 7.775 -99.200 -91.000 TYR 190 0.840 0.936 -10.505 14.104 -99.200 -91.000 TRP 194 1.040 -7.917 -21.873 3.995 -99.200 -91.000 TRP6 194 1.020 -6.750 -22.022 1.949 -99.200 -91.000 PHE 198 1.000 -5.680 -30.813 9.493 -99.200 -91.000 PHE 201 1.000 -8.385 -37.892 17.295 -99.200 -91.000 HIS 232 0.900 -1.197 -4.618 -1.432 -99.200 -91.000 TYR 237 0.840 -18.171 -3.388 6.045 -99.200 -91.000 PHE 242 1.000 -19.114 -5.189 1.715 -99.200 -91.000 HIS 269 0.900 -27.791 -4.644 8.263 -99.200 -91.000 PHE 275 1.000 -26.677 -13.079 -2.675 -99.200 -91.000 TYR 290 0.840 -39.405 -10.368 14.747 -99.200 -91.000 HIS 302 0.900 -28.046 2.091 10.657 -99.200 -91.000 PHE 312 1.000 -32.963 3.140 1.850 -99.200 -91.000 PHE 313 1.000 -32.466 -2.908 2.301 -99.200 -91.000 TYR 314 0.840 -37.564 -0.297 -5.056 -99.200 -91.000 PHE 349 1.000 -39.961 0.017 10.319 -99.200 -91.000 PHE 378 1.000 -46.030 -4.022 25.196 -99.200 -91.000 TYR 381 0.840 -42.921 -6.655 19.827 -99.200 -91.000 TYR 384 0.840 -45.741 4.286 17.303 -99.200 -91.000 PHE 386 1.000 -39.815 2.025 15.497 -99.200 -91.000 PHE 407 1.000 -39.868 -6.380 24.634 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hy1B1 SER 1 HA 0.03 -0.03 0.22 -0.75 4.49 3.96 3hy1B1 SER 1 HB2 0.01 0.21 0.11 -0.04 3.95 4.24 3hy1B1 SER 1 HB3 0.11 0.01 0.11 -0.04 3.93 4.12 3hy1B1 LYS 2 H -0.02 0.17 0.08 -0.55 8.42 8.09 3hy1B1 LYS 2 HA -0.00 0.03 0.50 -0.75 4.32 4.09 3hy1B1 LYS 2 HB2 -0.07 0.02 0.09 -0.04 1.87 1.87 3hy1B1 LYS 2 HB3 -0.03 -0.06 -0.04 -0.04 1.79 1.63 3hy1B1 LYS 2 HG2 0.02 -0.01 -0.01 -0.04 1.46 1.42 3hy1B1 LYS 2 HG3 0.02 0.08 0.01 -0.04 1.46 1.52 3hy1B1 LYS 2 HD2 0.12 0.01 -0.09 -0.04 1.69 1.69 3hy1B1 LYS 2 HD3 0.10 -0.12 -0.12 -0.04 1.68 1.49 3hy1B1 LYS 2 HE2 0.08 0.17 -0.10 -0.04 2.99 3.10 3hy1B1 LYS 2 HE3 0.19 -0.00 -0.11 -0.04 2.99 3.02 3hy1B1 SER 3 H -0.01 0.09 0.20 -0.55 8.46 8.20 3hy1B1 SER 3 HA -0.02 0.17 0.58 -0.75 4.49 4.47 3hy1B1 SER 3 HB2 -0.01 0.21 0.16 -0.04 3.95 4.27 3hy1B1 SER 3 HB3 -0.01 -0.09 0.15 -0.04 3.93 3.95 3hy1B1 THR 4 H -0.03 0.15 0.20 -0.55 8.28 8.05 3hy1B1 THR 4 HA -0.07 0.16 0.50 -0.75 4.39 4.23 3hy1B1 THR 4 HB -0.05 0.05 0.13 -0.04 4.32 4.41 3hy1B1 THR 4 HG23 -0.07 0.02 -0.05 -0.04 1.22 1.08 3hy1B1 ALA 5 H -0.02 0.12 -0.06 -0.55 8.40 7.90 3hy1B1 ALA 5 HA -0.01 0.10 0.42 -0.75 4.34 4.10 3hy1B1 ALA 5 HB3 -0.00 0.04 0.03 -0.04 1.41 1.44 3hy1B1 GLU 6 H 0.00 0.04 -0.37 -0.55 8.60 7.72 3hy1B1 GLU 6 HA 0.04 0.10 0.45 -0.75 4.29 4.13 3hy1B1 GLU 6 HB2 0.01 0.07 0.12 -0.04 2.09 2.24 3hy1B1 GLU 6 HB3 0.05 0.10 0.01 -0.04 1.99 2.11 3hy1B1 GLU 6 HG2 0.02 0.05 0.02 -0.04 2.34 2.39 3hy1B1 GLU 6 HG3 0.01 -0.11 0.05 -0.04 2.34 2.25 3hy1B1 ILE 7 H -0.01 0.48 -0.21 -0.55 8.25 7.97 3hy1B1 ILE 7 HA 0.13 0.09 0.38 -0.75 4.18 4.03 3hy1B1 ILE 7 HB -0.09 0.04 0.14 -0.04 1.89 1.94 3hy1B1 ILE 7 HG12 -0.24 0.01 -0.04 -0.04 1.49 1.18 3hy1B1 ILE 7 HG13 -0.08 0.15 -0.04 -0.04 1.21 1.20 3hy1B1 ILE 7 HG23 -0.24 -0.01 -0.13 -0.04 0.93 0.51 3hy1B1 ILE 7 HD13 -0.22 -0.01 -0.14 -0.04 0.88 0.47 3hy1B1 ARG 8 H 0.00 0.49 -0.11 -0.55 8.46 8.29 3hy1B1 ARG 8 HA 0.03 0.01 0.40 -0.75 4.34 4.03 3hy1B1 ARG 8 HB2 -0.03 0.01 0.12 -0.04 1.90 1.96 3hy1B1 ARG 8 HB3 0.01 0.10 0.10 -0.04 1.80 1.97 3hy1B1 ARG 8 HG2 0.04 0.00 -0.11 -0.04 1.67 1.57 3hy1B1 ARG 8 HG3 -0.02 -0.05 0.03 -0.04 1.67 1.59 3hy1B1 ARG 8 HD2 0.01 -0.02 -0.01 -0.04 3.22 3.16 3hy1B1 ARG 8 HD3 0.00 -0.00 0.00 -0.04 3.22 3.18 3hy1B1 GLN 9 H 0.07 0.35 -0.41 -0.55 8.47 7.93 3hy1B1 GLN 9 HA 0.08 0.00 0.47 -0.75 4.36 4.16 3hy1B1 GLN 9 HB2 0.05 0.02 0.13 -0.04 2.15 2.31 3hy1B1 GLN 9 HB3 0.08 0.13 0.20 -0.04 2.02 2.38 3hy1B1 GLN 9 HG2 0.05 -0.01 -0.01 -0.04 2.40 2.39 3hy1B1 GLN 9 HG3 0.08 0.01 -0.16 -0.04 2.39 2.28 3hy1B1 GLN 9 HE21 0.01 0.00 -0.01 -0.04 6.97 6.94 3hy1B1 GLN 9 HE22 0.04 0.02 -0.02 -0.04 7.69 7.69 3hy1B1 ALA 10 H 0.17 0.78 0.03 -0.55 8.40 8.84 3hy1B1 ALA 10 HA 0.28 0.01 0.42 -0.75 4.34 4.30 3hy1B1 ALA 10 HB3 0.38 0.02 0.09 -0.04 1.41 1.86 3hy1B1 PHE 11 H 0.30 0.68 -0.14 -0.55 8.34 8.63 3hy1B1 PHE 11 HA -0.10 0.04 0.34 -0.75 4.62 4.15 3hy1B1 PHE 11 HB2 0.09 0.04 0.05 -0.04 3.15 3.28 3hy1B1 PHE 11 HB3 0.04 0.05 0.09 -0.04 3.06 3.20 3hy1B1 PHE 11 HD2 -0.03 0.04 -0.19 -0.04 7.28 7.06 3hy1B1 PHE 11 HE2 -0.13 0.06 -0.13 -0.04 7.38 7.13 3hy1B1 PHE 11 HZ -0.06 -0.12 -0.49 -0.04 7.32 6.61 3hy1B1 LEU 12 H 0.23 0.44 -0.23 -0.55 8.37 8.27 3hy1B1 LEU 12 HA 0.10 0.00 0.34 -0.75 4.35 4.04 3hy1B1 LEU 12 HB2 0.11 0.11 0.09 -0.04 1.64 1.91 3hy1B1 LEU 12 HB3 0.09 -0.04 -0.03 -0.04 1.64 1.62 3hy1B1 LEU 12 HG 0.24 0.19 0.03 -0.04 1.64 2.05 3hy1B1 LEU 12 HD13 0.09 -0.03 -0.06 -0.04 0.93 0.88 3hy1B1 LEU 12 HD23 0.26 -0.02 -0.32 -0.04 0.89 0.77 3hy1B1 ASP 13 H 0.07 0.54 -0.21 -0.55 8.40 8.25 3hy1B1 ASP 13 HA 0.02 0.01 0.48 -0.75 4.63 4.39 3hy1B1 ASP 13 HB2 0.17 0.10 0.17 -0.04 2.71 3.11 3hy1B1 ASP 13 HB3 0.16 -0.03 -0.03 -0.04 2.70 2.75 3hy1B1 PHE 14 H -0.17 0.71 -0.05 -0.55 8.34 8.27 3hy1B1 PHE 14 HA -0.66 0.01 0.32 -0.75 4.62 3.54 3hy1B1 PHE 14 HB2 -2.07 0.03 0.08 -0.04 3.15 1.14 3hy1B1 PHE 14 HB3 -1.05 0.10 0.14 -0.04 3.06 2.21 3hy1B1 PHE 14 HD2 -1.92 0.00 -0.10 -0.04 7.28 5.23 3hy1B1 PHE 14 HE2 -0.79 -0.03 -0.11 -0.04 7.38 6.41 3hy1B1 PHE 14 HZ -0.31 -0.02 0.03 -0.04 7.32 6.98 3hy1B1 PHE 15 H -0.33 0.43 -0.26 -0.55 8.34 7.62 3hy1B1 PHE 15 HA -0.93 0.07 0.38 -0.75 4.62 3.38 3hy1B1 PHE 15 HB2 -0.51 0.11 0.03 -0.04 3.15 2.74 3hy1B1 PHE 15 HB3 -0.79 -0.05 -0.11 -0.04 3.06 2.07 3hy1B1 PHE 15 HD2 -1.30 0.09 -0.06 -0.04 7.28 5.96 3hy1B1 PHE 15 HE2 -0.24 -0.02 -0.13 -0.04 7.38 6.95 3hy1B1 PHE 15 HZ 0.32 -0.01 -0.19 -0.04 7.32 7.40 3hy1B1 HIS 16 H -0.00 0.47 -0.25 -0.55 8.41 8.08 3hy1B1 HIS 16 HA -0.00 0.18 0.57 -0.75 4.63 4.62 3hy1B1 HIS 16 HB2 -0.01 -0.01 0.16 -0.04 3.26 3.36 3hy1B1 HIS 16 HB3 -0.04 0.12 0.20 -0.04 3.20 3.43 3hy1B1 HIS 16 HD2 -0.00 -0.11 0.14 -0.04 6.97 6.95 3hy1B1 HIS 16 HE1 -0.01 -0.02 -0.04 -0.04 7.75 7.64 3hy1B1 SER 17 H -0.14 0.53 -0.31 -0.55 8.46 8.00 3hy1B1 SER 17 HA -0.06 0.02 0.48 -0.75 4.49 4.18 3hy1B1 SER 17 HB2 -0.05 -0.08 0.12 -0.04 3.95 3.90 3hy1B1 SER 17 HB3 -0.00 0.01 0.08 -0.04 3.93 3.98 3hy1B1 LYS 18 H -0.31 0.32 -0.73 -0.55 8.42 7.15 3hy1B1 LYS 18 HA -0.25 0.15 0.79 -0.75 4.32 4.25 3hy1B1 LYS 18 HB2 -0.46 0.07 0.08 -0.04 1.87 1.52 3hy1B1 LYS 18 HB3 -0.72 -0.09 0.14 -0.04 1.79 1.08 3hy1B1 LYS 18 HG2 -1.14 0.29 -0.03 -0.04 1.46 0.54 3hy1B1 LYS 18 HG3 -1.65 -0.10 -0.05 -0.04 1.46 -0.38 3hy1B1 LYS 18 HD2 -0.34 -0.07 -0.04 -0.04 1.69 1.20 3hy1B1 LYS 18 HD3 -0.38 0.14 -0.28 -0.04 1.68 1.12 3hy1B1 LYS 18 HE2 -0.80 0.07 -0.10 -0.04 2.99 2.12 3hy1B1 LYS 18 HE3 -0.71 -0.06 -0.07 -0.04 2.99 2.11 3hy1B1 GLY 19 H -0.20 0.39 -0.38 -0.55 8.43 7.70 3hy1B1 GLY 19 HA2 -0.17 0.03 0.25 -0.51 4.01 3.61 3hy1B1 GLY 19 HA3 -0.12 0.03 0.42 -0.51 4.01 3.83 3hy1B1 HIS 20 H 0.01 0.30 -0.08 -0.55 8.41 8.10 3hy1B1 HIS 20 HA -0.04 0.06 0.51 -0.75 4.63 4.41 3hy1B1 HIS 20 HB2 -0.06 0.07 -0.55 -0.04 3.26 2.68 3hy1B1 HIS 20 HB3 -0.04 -0.10 -0.54 -0.04 3.20 2.47 3hy1B1 HIS 20 HD2 -0.09 0.20 0.03 -0.04 6.97 7.06 3hy1B1 HIS 20 HE1 -0.42 -0.02 -0.07 -0.04 7.75 7.19 3hy1B1 GLN 21 H -0.02 0.64 0.18 -0.55 8.47 8.72 3hy1B1 GLN 21 HA -0.02 0.08 0.64 -0.75 4.36 4.31 3hy1B1 GLN 21 HB2 -0.15 0.01 0.19 -0.04 2.15 2.16 3hy1B1 GLN 21 HB3 -0.63 -0.04 0.26 -0.04 2.02 1.57 3hy1B1 GLN 21 HG2 -0.85 -0.08 -0.03 -0.04 2.40 1.40 3hy1B1 GLN 21 HG3 -0.29 0.08 -0.30 -0.04 2.39 1.83 3hy1B1 GLN 21 HE21 0.02 -0.01 0.01 -0.04 6.97 6.95 3hy1B1 GLN 21 HE22 -0.04 0.03 -0.02 -0.04 7.69 7.62 3hy1B1 VAL 22 H 0.12 0.20 0.18 -0.55 8.24 8.19 3hy1B1 VAL 22 HA 0.09 0.17 0.67 -0.75 4.13 4.30 3hy1B1 VAL 22 HB 0.06 -0.04 0.19 -0.04 2.12 2.29 3hy1B1 VAL 22 HG13 0.06 -0.02 -0.14 -0.04 0.97 0.82 3hy1B1 VAL 22 HG23 0.13 0.03 0.04 -0.04 0.95 1.10 3hy1B1 VAL 23 H 0.10 0.54 0.37 -0.55 8.24 8.70 3hy1B1 VAL 23 HA 0.02 0.11 0.89 -0.75 4.13 4.40 3hy1B1 VAL 23 HB 0.27 -0.03 0.03 -0.04 2.12 2.34 3hy1B1 VAL 23 HG13 0.13 0.06 -0.06 -0.04 0.97 1.06 3hy1B1 VAL 23 HG23 -0.13 0.06 -0.12 -0.04 0.95 0.71 3hy1B1 ALA 24 H 0.04 0.11 0.12 -0.55 8.40 8.12 3hy1B1 ALA 24 HA 0.04 -0.01 0.43 -0.75 4.34 4.05 3hy1B1 ALA 24 HB3 0.03 0.02 0.09 -0.04 1.41 1.50 3hy1B1 SER 25 H 0.02 0.06 0.18 -0.55 8.46 8.17 3hy1B1 SER 25 HA -0.01 -0.02 0.49 -0.75 4.49 4.19 3hy1B1 SER 25 HB2 -0.03 0.21 0.15 -0.04 3.95 4.24 3hy1B1 SER 25 HB3 -0.01 -0.03 0.17 -0.04 3.93 4.02 3hy1B1 SER 26 H -0.07 0.02 0.16 -0.55 8.46 8.01 3hy1B1 SER 26 HA -0.02 0.13 0.62 -0.75 4.49 4.47 3hy1B1 SER 26 HB2 -0.08 -0.04 0.16 -0.04 3.95 3.95 3hy1B1 SER 26 HB3 -0.14 0.00 0.11 -0.04 3.93 3.86 3hy1B1 SER 27 H -0.01 0.07 0.16 -0.55 8.46 8.14 3hy1B1 SER 27 HA 0.03 0.08 0.45 -0.75 4.49 4.29 3hy1B1 SER 27 HB2 0.10 0.04 0.20 -0.04 3.95 4.25 3hy1B1 SER 27 HB3 -0.12 0.16 0.19 -0.04 3.93 4.12 3hy1B1 LEU 28 H 0.04 0.17 0.16 -0.55 8.37 8.18 3hy1B1 LEU 28 HA -0.01 0.15 0.59 -0.75 4.35 4.32 3hy1B1 LEU 28 HB2 0.03 0.03 0.04 -0.04 1.64 1.70 3hy1B1 LEU 28 HB3 -0.03 -0.05 0.04 -0.04 1.64 1.57 3hy1B1 LEU 28 HG 0.03 0.02 -0.07 -0.04 1.64 1.58 3hy1B1 LEU 28 HD13 0.12 0.00 -0.24 -0.04 0.93 0.77 3hy1B1 LEU 28 HD23 -0.14 0.02 -0.28 -0.04 0.89 0.44 3hy1B1 VAL 29 H 0.02 0.06 -0.16 -0.55 8.24 7.61 3hy1B1 VAL 29 HA 0.09 0.25 0.78 -0.75 4.13 4.50 3hy1B1 VAL 29 HB 0.00 -0.02 0.09 -0.04 2.12 2.15 3hy1B1 VAL 29 HG13 0.03 0.01 -0.20 -0.04 0.97 0.77 3hy1B1 VAL 29 HG23 0.15 -0.00 -0.08 -0.04 0.95 0.98 3hy1B1 PRO 30 HA -0.23 0.04 0.59 -0.51 4.44 4.33 3hy1B1 PRO 30 HB2 -0.04 -0.04 0.03 -0.04 2.28 2.19 3hy1B1 PRO 30 HB3 -0.05 -0.04 -0.07 -0.04 2.02 1.81 3hy1B1 PRO 30 HG2 -0.03 0.21 -0.09 -0.04 2.03 2.08 3hy1B1 PRO 30 HG3 -0.00 -0.08 -0.35 -0.04 2.03 1.56 3hy1B1 PRO 30 HD2 -0.04 0.20 0.11 -0.04 3.68 3.90 3hy1B1 PRO 30 HD3 0.03 0.21 0.21 -0.04 3.65 4.05 3hy1B1 HIS 31 H -0.42 0.18 0.16 -0.55 8.41 7.79 3hy1B1 HIS 31 HA 0.01 0.14 0.35 -0.75 4.63 4.36 3hy1B1 HIS 31 HB2 -0.01 -0.04 0.09 -0.04 3.26 3.26 3hy1B1 HIS 31 HB3 -0.00 0.03 0.05 -0.04 3.20 3.24 3hy1B1 HIS 31 HD2 0.02 0.01 -0.09 -0.04 6.97 6.86 3hy1B1 HIS 31 HE1 0.00 -0.06 0.09 -0.04 7.75 7.75 3hy1B1 ASN 32 H 0.02 0.00 -0.16 -0.55 8.53 7.84 3hy1B1 ASN 32 HA 0.04 0.23 0.67 -0.75 4.76 4.94 3hy1B1 ASN 32 HB2 0.00 -0.03 0.04 -0.04 2.88 2.86 3hy1B1 ASN 32 HB3 0.01 0.00 0.12 -0.04 2.79 2.88 3hy1B1 ASN 32 HD21 -0.00 0.03 -0.01 -0.04 7.03 7.01 3hy1B1 ASN 32 HD22 -0.01 -0.02 0.01 -0.04 7.74 7.68 3hy1B1 ASP 33 H 0.00 0.30 -0.47 -0.55 8.40 7.69 3hy1B1 ASP 33 HA 0.02 0.20 0.58 -0.75 4.63 4.68 3hy1B1 ASP 33 HB2 0.02 0.02 -0.11 -0.04 2.71 2.60 3hy1B1 ASP 33 HB3 0.01 -0.02 0.00 -0.04 2.70 2.65 3hy1B1 PRO 34 HA -0.00 0.28 0.75 -0.51 4.44 4.95 3hy1B1 PRO 34 HB2 0.00 0.01 0.03 -0.04 2.28 2.28 3hy1B1 PRO 34 HB3 0.01 0.07 0.02 -0.04 2.02 2.08 3hy1B1 PRO 34 HG2 0.01 0.03 -0.04 -0.04 2.03 1.99 3hy1B1 PRO 34 HG3 0.01 0.07 -0.01 -0.04 2.03 2.06 3hy1B1 PRO 34 HD2 0.01 -0.01 0.17 -0.04 3.68 3.80 3hy1B1 PRO 34 HD3 0.02 0.23 0.05 -0.04 3.65 3.91 3hy1B1 THR 35 H 0.01 0.12 -0.09 -0.55 8.28 7.77 3hy1B1 THR 35 HA 0.00 0.17 0.65 -0.75 4.39 4.45 3hy1B1 THR 35 HB 0.01 0.00 0.17 -0.04 4.32 4.47 3hy1B1 THR 35 HG23 0.01 0.00 -0.02 -0.04 1.22 1.18 3hy1B1 LEU 36 H -0.01 0.29 -0.74 -0.55 8.37 7.36 3hy1B1 LEU 36 HA 0.02 0.11 0.80 -0.75 4.35 4.53 3hy1B1 LEU 36 HB2 0.03 -0.06 -0.27 -0.04 1.64 1.30 3hy1B1 LEU 36 HB3 0.00 0.11 -0.13 -0.04 1.64 1.58 3hy1B1 LEU 36 HG 0.04 0.10 -0.23 -0.04 1.64 1.51 3hy1B1 LEU 36 HD13 0.11 -0.01 0.05 -0.04 0.93 1.04 3hy1B1 LEU 36 HD23 0.04 -0.04 -0.09 -0.04 0.89 0.75 3hy1B1 LEU 37 H -0.03 0.12 0.08 -0.55 8.37 7.98 3hy1B1 LEU 37 HA -0.28 0.09 0.46 -0.75 4.35 3.87 3hy1B1 LEU 37 HB2 -0.11 0.02 0.08 -0.04 1.64 1.59 3hy1B1 LEU 37 HB3 -0.14 -0.07 0.13 -0.04 1.64 1.52 3hy1B1 LEU 37 HG -1.22 0.02 -0.16 -0.04 1.64 0.24 3hy1B1 LEU 37 HD13 -0.21 0.00 -0.06 -0.04 0.93 0.63 3hy1B1 LEU 37 HD23 0.02 -0.03 -0.13 -0.04 0.89 0.71 3hy1B1 PHE 38 H 0.02 0.12 0.11 -0.55 8.34 8.05 3hy1B1 PHE 38 HA -0.00 0.34 0.85 -0.75 4.62 5.05 3hy1B1 PHE 38 HB2 0.03 0.01 0.02 -0.04 3.15 3.17 3hy1B1 PHE 38 HB3 0.01 0.06 0.12 -0.04 3.06 3.21 3hy1B1 PHE 38 HD2 0.04 0.02 -0.10 -0.04 7.28 7.19 3hy1B1 PHE 38 HE2 0.04 -0.04 -0.11 -0.04 7.38 7.23 3hy1B1 PHE 38 HZ 0.04 0.05 -0.04 -0.04 7.32 7.33 3hy1B1 THR 39 H 0.12 0.79 0.24 -0.55 8.28 8.88 3hy1B1 THR 39 HA 0.01 -0.07 0.48 -0.75 4.39 4.05 3hy1B1 THR 39 HB -0.06 0.03 0.19 -0.04 4.32 4.44 3hy1B1 THR 39 HG23 -0.08 -0.06 -0.08 -0.04 1.22 0.96 3hy1B1 ASN 40 H -0.01 0.04 0.25 -0.55 8.53 8.26 3hy1B1 ASN 40 HA -0.07 0.12 0.88 -0.75 4.76 4.93 3hy1B1 ASN 40 HB2 -0.11 -0.03 0.11 -0.04 2.88 2.80 3hy1B1 ASN 40 HB3 0.04 0.17 -0.02 -0.04 2.79 2.94 3hy1B1 ASN 40 HD21 -0.04 0.01 -0.08 -0.04 7.03 6.87 3hy1B1 ASN 40 HD22 -0.11 0.01 -0.55 -0.04 7.74 7.04 3hy1B1 ALA 41 H -0.04 0.15 0.13 -0.55 8.40 8.09 3hy1B1 ALA 41 HA -0.03 0.19 0.48 -0.75 4.34 4.23 3hy1B1 ALA 41 HB3 0.04 0.03 -0.05 -0.04 1.41 1.39 3hy1B1 GLY 42 H 0.09 0.24 0.07 -0.55 8.43 8.28 3hy1B1 GLY 42 HA2 0.07 0.10 0.37 -0.51 4.01 4.04 3hy1B1 GLY 42 HA3 0.30 0.13 0.27 -0.51 4.01 4.20 3hy1B1 MET 43 H 0.19 0.08 -0.25 -0.55 8.47 7.94 3hy1B1 MET 43 HA 0.14 0.16 0.33 -0.75 4.52 4.40 3hy1B1 MET 43 HB2 0.43 0.07 -0.08 -0.04 2.15 2.52 3hy1B1 MET 43 HB3 0.32 0.04 -0.05 -0.04 2.03 2.30 3hy1B1 MET 43 HG2 0.11 -0.06 -0.10 -0.04 2.63 2.53 3hy1B1 MET 43 HG3 0.16 0.01 -0.30 -0.04 2.56 2.39 3hy1B1 MET 43 HE3 0.36 0.01 -0.18 -0.04 2.10 2.25 3hy1B1 ASN 44 H 0.04 0.21 -0.51 -0.55 8.53 7.73 3hy1B1 ASN 44 HA 0.06 0.07 0.23 -0.75 4.76 4.37 3hy1B1 ASN 44 HB2 -0.05 0.12 0.06 -0.04 2.88 2.97 3hy1B1 ASN 44 HB3 -0.03 0.02 -0.05 -0.04 2.79 2.69 3hy1B1 ASN 44 HD21 0.08 0.05 -0.05 -0.04 7.03 7.06 3hy1B1 ASN 44 HD22 0.09 -0.04 -0.12 -0.04 7.74 7.62 3hy1B1 GLN 45 H -0.24 0.23 -0.29 -0.55 8.47 7.63 3hy1B1 GLN 45 HA -0.20 0.06 0.45 -0.75 4.36 3.92 3hy1B1 GLN 45 HB2 -0.41 0.02 0.10 -0.04 2.15 1.83 3hy1B1 GLN 45 HB3 -0.29 -0.04 0.08 -0.04 2.02 1.74 3hy1B1 GLN 45 HG2 -0.63 0.11 0.00 -0.04 2.40 1.84 3hy1B1 GLN 45 HG3 -2.14 0.03 -0.27 -0.04 2.39 -0.04 3hy1B1 GLN 45 HE21 -0.04 0.22 -0.10 -0.04 6.97 7.01 3hy1B1 GLN 45 HE22 -0.19 0.03 -0.05 -0.04 7.69 7.44 3hy1B1 PHE 46 H -0.16 0.51 -0.53 -0.55 8.34 7.60 3hy1B1 PHE 46 HA -0.28 0.16 0.82 -0.75 4.62 4.57 3hy1B1 PHE 46 HB2 -0.29 0.04 0.01 -0.04 3.15 2.87 3hy1B1 PHE 46 HB3 -0.67 -0.03 0.09 -0.04 3.06 2.40 3hy1B1 PHE 46 HD2 -0.62 0.01 -0.10 -0.04 7.28 6.52 3hy1B1 PHE 46 HE2 -0.05 0.00 -0.14 -0.04 7.38 7.15 3hy1B1 PHE 46 HZ 0.07 0.02 -0.12 -0.04 7.32 7.26 3hy1B1 LYS 47 H 0.01 0.36 -0.29 -0.55 8.42 7.95 3hy1B1 LYS 47 HA 0.31 0.05 0.25 -0.75 4.32 4.18 3hy1B1 LYS 47 HB2 0.09 0.15 0.13 -0.04 1.87 2.20 3hy1B1 LYS 47 HB3 0.06 -0.03 0.06 -0.04 1.79 1.84 3hy1B1 LYS 47 HG2 0.12 -0.00 -0.14 -0.04 1.46 1.40 3hy1B1 LYS 47 HG3 0.20 -0.02 -0.02 -0.04 1.46 1.57 3hy1B1 LYS 47 HD2 0.06 0.04 -0.04 -0.04 1.69 1.71 3hy1B1 LYS 47 HD3 0.09 0.02 -0.04 -0.04 1.68 1.71 3hy1B1 LYS 47 HE2 0.15 -0.01 -0.07 -0.04 2.99 3.02 3hy1B1 LYS 47 HE3 0.10 0.01 -0.01 -0.04 2.99 3.04 3hy1B1 ASP 48 H -0.01 0.16 -0.17 -0.55 8.40 7.83 3hy1B1 ASP 48 HA 0.03 0.10 0.41 -0.75 4.63 4.42 3hy1B1 ASP 48 HB2 -0.04 0.04 0.02 -0.04 2.71 2.69 3hy1B1 ASP 48 HB3 -0.03 -0.04 -0.02 -0.04 2.70 2.57 3hy1B1 VAL 49 H -0.16 0.08 -0.34 -0.55 8.24 7.27 3hy1B1 VAL 49 HA -0.21 0.85 0.59 -0.75 4.13 4.60 3hy1B1 VAL 49 HB -0.82 0.08 0.03 -0.04 2.12 1.37 3hy1B1 VAL 49 HG13 -0.97 0.02 -0.01 -0.04 0.97 -0.03 3hy1B1 VAL 49 HG23 -0.35 -0.06 -0.08 -0.04 0.95 0.42 3hy1B1 PHE 50 H -0.07 0.38 -0.25 -0.55 8.34 7.85 3hy1B1 PHE 50 HA 0.10 0.06 0.46 -0.75 4.62 4.49 3hy1B1 PHE 50 HB2 0.13 0.14 0.11 -0.04 3.15 3.48 3hy1B1 PHE 50 HB3 0.16 -0.05 -0.02 -0.04 3.06 3.10 3hy1B1 PHE 50 HD2 0.16 0.01 -0.08 -0.04 7.28 7.33 3hy1B1 PHE 50 HE2 0.14 -0.01 -0.06 -0.04 7.38 7.42 3hy1B1 PHE 50 HZ 0.25 0.01 -0.02 -0.04 7.32 7.52 3hy1B1 LEU 51 H 0.13 0.16 -0.37 -0.55 8.37 7.75 3hy1B1 LEU 51 HA 0.12 0.07 0.56 -0.75 4.35 4.35 3hy1B1 LEU 51 HB2 0.06 -0.02 0.20 -0.04 1.64 1.84 3hy1B1 LEU 51 HB3 0.05 -0.07 0.04 -0.04 1.64 1.62 3hy1B1 LEU 51 HG 0.15 0.15 0.02 -0.04 1.64 1.92 3hy1B1 LEU 51 HD13 0.06 -0.03 -0.04 -0.04 0.93 0.88 3hy1B1 LEU 51 HD23 0.09 0.00 0.05 -0.04 0.89 0.99 3hy1B1 GLY 52 H 0.02 0.36 -0.34 -0.55 8.43 7.93 3hy1B1 GLY 52 HA2 0.01 0.06 0.35 -0.51 4.01 3.92 3hy1B1 GLY 52 HA3 0.01 0.10 0.47 -0.51 4.01 4.08 3hy1B1 LEU 53 H 0.00 0.08 -0.03 -0.55 8.37 7.88 3hy1B1 LEU 53 HA -0.02 0.03 0.07 -0.75 4.35 3.68 3hy1B1 LEU 53 HB2 -0.02 -0.06 -0.01 -0.04 1.64 1.52 3hy1B1 LEU 53 HB3 -0.01 -0.00 0.05 -0.04 1.64 1.64 3hy1B1 LEU 53 HG 0.01 0.03 0.12 -0.04 1.64 1.76 3hy1B1 LEU 53 HD13 0.01 -0.01 0.01 -0.04 0.93 0.90 3hy1B1 LEU 53 HD23 0.01 -0.02 -0.05 -0.04 0.89 0.79 3hy1B1 ASP 54 H -0.07 0.25 -0.53 -0.55 8.40 7.51 3hy1B1 ASP 54 HA -0.08 0.22 1.04 -0.75 4.63 5.06 3hy1B1 ASP 54 HB2 -0.12 -0.22 -0.18 -0.04 2.71 2.14 3hy1B1 ASP 54 HB3 -0.14 0.04 -0.10 -0.04 2.70 2.46 3hy1B1 LYS 55 H -0.12 0.26 0.19 -0.55 8.42 8.20 3hy1B1 LYS 55 HA -0.27 0.12 0.58 -0.75 4.32 4.00 3hy1B1 LYS 55 HB2 -0.10 0.13 -0.01 -0.04 1.87 1.84 3hy1B1 LYS 55 HB3 -0.09 -0.04 0.04 -0.04 1.79 1.65 3hy1B1 LYS 55 HG2 -0.12 0.08 -0.06 -0.04 1.46 1.33 3hy1B1 LYS 55 HG3 -0.12 0.02 0.14 -0.04 1.46 1.46 3hy1B1 LYS 55 HD2 -0.04 0.03 0.01 -0.04 1.69 1.64 3hy1B1 LYS 55 HD3 -0.05 -0.06 -0.03 -0.04 1.68 1.49 3hy1B1 LYS 55 HE2 -0.04 0.02 -0.02 -0.04 2.99 2.90 3hy1B1 LYS 55 HE3 -0.02 0.07 0.03 -0.04 2.99 3.03 3hy1B1 ARG 56 H -0.30 0.31 0.17 -0.55 8.46 8.09 3hy1B1 ARG 56 HA -0.22 0.19 0.91 -0.75 4.34 4.47 3hy1B1 ARG 56 HB2 -1.10 0.10 0.02 -0.04 1.90 0.87 3hy1B1 ARG 56 HB3 -0.55 -0.10 0.11 -0.04 1.80 1.21 3hy1B1 ARG 56 HG2 -0.28 0.08 -0.61 -0.04 1.67 0.83 3hy1B1 ARG 56 HG3 -0.53 0.03 -0.21 -0.04 1.67 0.93 3hy1B1 ARG 56 HD2 -0.23 -0.00 -0.09 -0.04 3.22 2.87 3hy1B1 ARG 56 HD3 -0.14 -0.01 -0.05 -0.04 3.22 2.98 3hy1B1 ASN 57 H -0.16 0.09 0.17 -0.55 8.53 8.08 3hy1B1 ASN 57 HA -0.03 0.09 0.39 -0.75 4.76 4.45 3hy1B1 ASN 57 HB2 0.14 -0.04 0.09 -0.04 2.88 3.03 3hy1B1 ASN 57 HB3 0.05 0.03 0.10 -0.04 2.79 2.92 3hy1B1 ASN 57 HD21 0.02 0.03 0.07 -0.04 7.03 7.11 3hy1B1 ASN 57 HD22 0.08 -0.03 0.11 -0.04 7.74 7.86 3hy1B1 TYR 58 H -0.29 -0.05 -0.14 -0.55 8.29 7.26 3hy1B1 TYR 58 HA 0.01 0.18 0.91 -0.75 4.56 4.91 3hy1B1 TYR 58 HB2 0.04 0.08 0.17 -0.04 3.06 3.31 3hy1B1 TYR 58 HB3 0.03 0.02 0.15 -0.04 2.98 3.14 3hy1B1 TYR 58 HD2 0.13 -0.00 -0.16 -0.04 7.15 7.08 3hy1B1 TYR 58 HE2 0.03 -0.01 -0.06 -0.04 6.85 6.77 3hy1B1 SER 59 H 0.10 0.16 0.22 -0.55 8.46 8.39 3hy1B1 SER 59 HA 0.20 0.23 0.85 -0.75 4.49 5.01 3hy1B1 SER 59 HB2 0.04 0.13 0.14 -0.04 3.95 4.21 3hy1B1 SER 59 HB3 0.03 0.07 0.03 -0.04 3.93 4.01 3hy1B1 ARG 60 H 0.11 0.12 0.21 -0.55 8.46 8.34 3hy1B1 ARG 60 HA -0.31 0.25 0.93 -0.75 4.34 4.46 3hy1B1 ARG 60 HB2 -0.31 0.19 0.11 -0.04 1.90 1.85 3hy1B1 ARG 60 HB3 -1.05 0.03 0.04 -0.04 1.80 0.79 3hy1B1 ARG 60 HG2 -0.01 -0.03 0.04 -0.04 1.67 1.63 3hy1B1 ARG 60 HG3 -0.07 -0.12 -0.28 -0.04 1.67 1.16 3hy1B1 ARG 60 HD2 -0.24 0.16 -0.07 -0.04 3.22 3.03 3hy1B1 ARG 60 HD3 -0.34 0.01 -0.05 -0.04 3.22 2.79 3hy1B1 ALA 61 H -0.00 0.53 0.32 -0.55 8.40 8.70 3hy1B1 ALA 61 HA 0.06 0.20 0.89 -0.75 4.34 4.73 3hy1B1 ALA 61 HB3 0.10 -0.00 -0.08 -0.04 1.41 1.39 3hy1B1 THR 62 H 0.15 0.61 0.24 -0.55 8.28 8.74 3hy1B1 THR 62 HA 0.08 0.24 0.79 -0.75 4.39 4.75 3hy1B1 THR 62 HB -0.15 -0.01 -0.17 -0.04 4.32 3.95 3hy1B1 THR 62 HG23 0.09 0.01 -0.20 -0.04 1.22 1.08 3hy1B1 THR 63 H 0.26 0.48 0.34 -0.55 8.28 8.82 3hy1B1 THR 63 HA 0.18 0.25 0.89 -0.75 4.39 4.95 3hy1B1 THR 63 HB 0.16 -0.02 -0.05 -0.04 4.32 4.36 3hy1B1 THR 63 HG23 0.39 0.05 -0.27 -0.04 1.22 1.36 3hy1B1 SER 64 H 0.07 0.23 0.07 -0.55 8.46 8.29 3hy1B1 SER 64 HA -0.07 0.22 0.79 -0.75 4.49 4.68 3hy1B1 SER 64 HB2 0.02 0.05 0.05 -0.04 3.95 4.03 3hy1B1 SER 64 HB3 -0.01 -0.02 0.21 -0.04 3.93 4.08 3hy1B1 GLN 65 H -0.05 0.54 0.02 -0.55 8.47 8.44 3hy1B1 GLN 65 HA -0.09 0.03 0.48 -0.75 4.36 4.03 3hy1B1 GLN 65 HB2 0.02 -0.00 0.06 -0.04 2.15 2.18 3hy1B1 GLN 65 HB3 -0.08 -0.05 0.04 -0.04 2.02 1.89 3hy1B1 GLN 65 HG2 -0.08 -0.01 -0.35 -0.04 2.40 1.92 3hy1B1 GLN 65 HG3 -0.18 0.20 -0.52 -0.04 2.39 1.84 3hy1B1 GLN 65 HE21 -0.09 0.14 -0.03 -0.04 6.97 6.94 3hy1B1 GLN 65 HE22 -0.13 0.32 -0.07 -0.04 7.69 7.76 3hy1B1 ARG 66 H -0.19 0.18 0.21 -0.55 8.46 8.10 3hy1B1 ARG 66 HA -0.65 0.09 0.75 -0.75 4.34 3.78 3hy1B1 ARG 66 HB2 -0.74 0.01 -0.03 -0.04 1.90 1.10 3hy1B1 ARG 66 HB3 -0.35 -0.00 0.07 -0.04 1.80 1.48 3hy1B1 ARG 66 HG2 -0.13 0.01 0.10 -0.04 1.67 1.62 3hy1B1 ARG 66 HG3 -0.16 0.01 -0.04 -0.04 1.67 1.44 3hy1B1 ARG 66 HD2 0.06 -0.03 -0.08 -0.04 3.22 3.12 3hy1B1 ARG 66 HD3 -0.15 0.02 -0.01 -0.04 3.22 3.05 3hy1B1 CYS 67 H -0.96 0.75 0.39 -0.55 8.50 8.14 3hy1B1 CYS 67 HA -0.32 0.30 0.81 -0.75 4.58 4.62 3hy1B1 CYS 67 HB2 -1.42 -0.03 -0.08 -0.04 2.97 1.40 3hy1B1 CYS 67 HB3 -0.36 -0.00 -0.07 -0.04 2.97 2.50 3hy1B1 VAL 68 H -0.08 0.76 0.25 -0.55 8.24 8.62 3hy1B1 VAL 68 HA 0.03 0.43 0.73 -0.75 4.13 4.57 3hy1B1 VAL 68 HB -0.06 0.01 0.04 -0.04 2.12 2.07 3hy1B1 VAL 68 HG13 -0.01 -0.08 -0.35 -0.04 0.97 0.49 3hy1B1 VAL 68 HG23 -0.05 -0.02 -0.24 -0.04 0.95 0.60 3hy1B1 ARG 69 H 0.23 0.55 0.13 -0.55 8.46 8.82 3hy1B1 ARG 69 HA 0.20 0.17 1.11 -0.75 4.34 5.07 3hy1B1 ARG 69 HB2 0.19 -0.14 0.24 -0.04 1.90 2.15 3hy1B1 ARG 69 HB3 0.23 0.50 0.19 -0.04 1.80 2.67 3hy1B1 ARG 69 HG2 0.22 0.04 -0.05 -0.04 1.67 1.84 3hy1B1 ARG 69 HG3 0.42 -0.02 -0.08 -0.04 1.67 1.94 3hy1B1 ARG 69 HD2 0.18 -0.01 -0.06 -0.04 3.22 3.29 3hy1B1 ARG 69 HD3 0.14 -0.03 -0.02 -0.04 3.22 3.27 3hy1B1 ALA 70 H 0.24 0.24 -0.05 -0.55 8.40 8.28 3hy1B1 ALA 70 HA 0.12 -0.07 0.53 -0.75 4.34 4.17 3hy1B1 ALA 70 HB3 0.14 0.02 0.04 -0.04 1.41 1.58 3hy1B1 GLY 71 H 0.18 0.31 0.02 -0.55 8.43 8.39 3hy1B1 GLY 71 HA2 0.08 0.14 0.82 -0.51 4.01 4.53 3hy1B1 GLY 71 HA3 0.08 0.05 0.27 -0.51 4.01 3.90 3hy1B1 GLY 72 H 0.03 0.13 0.10 -0.55 8.43 8.15 3hy1B1 GLY 72 HA2 -0.01 -0.04 0.24 -0.51 4.01 3.69 3hy1B1 GLY 72 HA3 -0.01 0.09 0.31 -0.51 4.01 3.90 3hy1B1 LYS 73 H -0.19 0.16 0.08 -0.55 8.42 7.92 3hy1B1 LYS 73 HA -0.11 -0.00 0.37 -0.75 4.32 3.82 3hy1B1 LYS 73 HB2 -0.34 0.05 0.10 -0.04 1.87 1.64 3hy1B1 LYS 73 HB3 -0.13 0.02 0.10 -0.04 1.79 1.74 3hy1B1 LYS 73 HG2 -0.12 0.02 0.10 -0.04 1.46 1.42 3hy1B1 LYS 73 HG3 -0.59 0.02 0.09 -0.04 1.46 0.94 3hy1B1 LYS 73 HD2 -0.09 0.01 0.00 -0.04 1.69 1.56 3hy1B1 LYS 73 HD3 -0.04 0.01 0.01 -0.04 1.68 1.62 3hy1B1 LYS 73 HE2 0.07 0.04 0.02 -0.04 2.99 3.07 3hy1B1 LYS 73 HE3 0.21 -0.03 0.01 -0.04 2.99 3.13 3hy1B1 HIS 74 H -0.01 0.59 0.06 -0.55 8.41 8.52 3hy1B1 HIS 74 HA 0.08 0.24 0.86 -0.75 4.63 5.05 3hy1B1 HIS 74 HB2 0.12 -0.04 0.27 -0.04 3.26 3.57 3hy1B1 HIS 74 HB3 0.11 0.03 0.08 -0.04 3.20 3.39 3hy1B1 HIS 74 HD2 0.09 0.05 0.03 -0.04 6.97 7.09 3hy1B1 HIS 74 HE1 0.12 0.05 -0.06 -0.04 7.75 7.81 3hy1B1 ASN 75 H 0.07 0.25 -0.21 -0.55 8.53 8.09 3hy1B1 ASN 75 HA 0.12 0.10 0.51 -0.75 4.76 4.74 3hy1B1 ASN 75 HB2 0.07 -0.07 -0.61 -0.04 2.88 2.23 3hy1B1 ASN 75 HB3 0.04 0.05 -0.10 -0.04 2.79 2.74 3hy1B1 ASN 75 HD21 0.05 0.02 -0.09 -0.04 7.03 6.97 3hy1B1 ASN 75 HD22 0.05 -0.01 -0.16 -0.04 7.74 7.57 3hy1B1 ASP 76 H 0.10 0.55 0.14 -0.55 8.40 8.64 3hy1B1 ASP 76 HA -0.05 0.22 0.88 -0.75 4.63 4.93 3hy1B1 ASP 76 HB2 0.12 0.30 0.08 -0.04 2.71 3.17 3hy1B1 ASP 76 HB3 0.07 -0.12 0.01 -0.04 2.70 2.62 3hy1B1 LEU 77 H 0.06 0.08 0.02 -0.55 8.37 7.99 3hy1B1 LEU 77 HA 0.09 0.07 0.34 -0.75 4.35 4.09 3hy1B1 LEU 77 HB2 0.05 0.01 0.15 -0.04 1.64 1.82 3hy1B1 LEU 77 HB3 0.05 -0.04 0.06 -0.04 1.64 1.67 3hy1B1 LEU 77 HG 0.08 0.06 -0.24 -0.04 1.64 1.50 3hy1B1 LEU 77 HD13 0.05 0.00 0.02 -0.04 0.93 0.96 3hy1B1 LEU 77 HD23 0.02 0.00 -0.05 -0.04 0.89 0.82 3hy1B1 GLU 78 H 0.02 0.07 -0.30 -0.55 8.60 7.84 3hy1B1 GLU 78 HA 0.05 0.14 0.26 -0.75 4.29 3.99 3hy1B1 GLU 78 HB2 -0.04 0.02 -0.09 -0.04 2.09 1.94 3hy1B1 GLU 78 HB3 -0.04 0.07 0.03 -0.04 1.99 2.01 3hy1B1 GLU 78 HG2 0.01 -0.10 -0.05 -0.04 2.34 2.16 3hy1B1 GLU 78 HG3 -0.01 0.03 -0.05 -0.04 2.34 2.27 3hy1B1 ASN 79 H -0.02 0.26 -0.59 -0.55 8.53 7.63 3hy1B1 ASN 79 HA -0.00 0.18 0.70 -0.75 4.76 4.88 3hy1B1 ASN 79 HB2 -0.32 0.09 0.03 -0.04 2.88 2.64 3hy1B1 ASN 79 HB3 -0.25 -0.11 0.03 -0.04 2.79 2.42 3hy1B1 ASN 79 HD21 -0.28 0.02 -0.05 -0.04 7.03 6.69 3hy1B1 ASN 79 HD22 -1.33 -0.03 -0.04 -0.04 7.74 6.30 3hy1B1 VAL 80 H 0.11 0.42 -0.22 -0.55 8.24 8.01 3hy1B1 VAL 80 HA 0.11 0.04 0.35 -0.75 4.13 3.88 3hy1B1 VAL 80 HB 0.20 0.17 0.17 -0.04 2.12 2.62 3hy1B1 VAL 80 HG13 0.17 -0.01 -0.11 -0.04 0.97 0.97 3hy1B1 VAL 80 HG23 0.18 0.04 -0.21 -0.04 0.95 0.92 3hy1B1 GLY 81 H -0.08 0.18 0.23 -0.55 8.43 8.22 3hy1B1 GLY 81 HA2 -0.40 -0.03 0.35 -0.51 4.01 3.42 3hy1B1 GLY 81 HA3 -0.33 0.17 0.70 -0.51 4.01 4.05 3hy1B1 TYR 82 H 0.13 0.42 -0.17 -0.55 8.29 8.12 3hy1B1 TYR 82 HA -0.04 0.18 0.81 -0.75 4.56 4.76 3hy1B1 TYR 82 HB2 -0.01 0.08 0.00 -0.04 3.06 3.10 3hy1B1 TYR 82 HB3 -0.00 -0.04 0.07 -0.04 2.98 2.96 3hy1B1 TYR 82 HD2 -0.01 0.03 -0.21 -0.04 7.15 6.91 3hy1B1 TYR 82 HE2 0.01 0.01 -0.06 -0.04 6.85 6.77 3hy1B1 THR 83 H 0.09 0.13 0.19 -0.55 8.28 8.14 3hy1B1 THR 83 HA 0.07 0.29 0.90 -0.75 4.39 4.89 3hy1B1 THR 83 HB 0.10 -0.09 0.14 -0.04 4.32 4.43 3hy1B1 THR 83 HG23 0.19 0.04 -0.12 -0.04 1.22 1.29 3hy1B1 ALA 84 H 0.02 0.25 0.15 -0.55 8.40 8.27 3hy1B1 ALA 84 HA 0.08 0.10 0.53 -0.75 4.34 4.29 3hy1B1 ALA 84 HB3 0.01 0.03 0.11 -0.04 1.41 1.53 3hy1B1 ARG 85 H -0.09 -0.00 -0.32 -0.55 8.46 7.49 3hy1B1 ARG 85 HA -0.16 0.19 0.84 -0.75 4.34 4.46 3hy1B1 ARG 85 HB2 -0.32 0.01 -0.03 -0.04 1.90 1.52 3hy1B1 ARG 85 HB3 -0.21 0.01 0.08 -0.04 1.80 1.64 3hy1B1 ARG 85 HG2 -0.05 0.09 -0.12 -0.04 1.67 1.54 3hy1B1 ARG 85 HG3 -0.05 -0.18 -0.37 -0.04 1.67 1.02 3hy1B1 ARG 85 HD2 -0.07 -0.03 -0.03 -0.04 3.22 3.06 3hy1B1 ARG 85 HD3 -0.04 0.01 -0.02 -0.04 3.22 3.13 3hy1B1 HIS 86 H -0.09 0.10 -0.13 -0.55 8.41 7.74 3hy1B1 HIS 86 HA -0.14 0.20 0.86 -0.75 4.63 4.79 3hy1B1 HIS 86 HB2 -0.02 0.00 -0.07 -0.04 3.26 3.14 3hy1B1 HIS 86 HB3 -0.01 0.08 -0.17 -0.04 3.20 3.07 3hy1B1 HIS 86 HD2 -0.03 0.04 -0.05 -0.04 6.97 6.88 3hy1B1 HIS 86 HE1 0.01 0.04 -0.05 -0.04 7.75 7.71 3hy1B1 HIS 87 H 0.06 0.26 0.13 -0.55 8.41 8.31 3hy1B1 HIS 87 HA 0.19 0.14 0.75 -0.75 4.63 4.96 3hy1B1 HIS 87 HB2 0.12 -0.02 -0.28 -0.04 3.26 3.04 3hy1B1 HIS 87 HB3 0.24 0.14 -0.01 -0.04 3.20 3.52 3hy1B1 HIS 87 HD2 -0.17 0.05 -0.19 -0.04 6.97 6.61 3hy1B1 HIS 87 HE1 -1.32 -0.02 -0.20 -0.04 7.75 6.18 3hy1B1 THR 88 H 0.31 0.12 0.07 -0.55 8.28 8.23 3hy1B1 THR 88 HA 0.19 0.22 0.78 -0.75 4.39 4.82 3hy1B1 THR 88 HB 0.09 -0.01 -0.03 -0.04 4.32 4.32 3hy1B1 THR 88 HG23 0.04 0.02 -0.02 -0.04 1.22 1.22 3hy1B1 PHE 89 H 0.35 0.08 0.14 -0.55 8.34 8.35 3hy1B1 PHE 89 HA 0.02 0.43 0.86 -0.75 4.62 5.18 3hy1B1 PHE 89 HB2 0.01 -0.05 -0.02 -0.04 3.15 3.04 3hy1B1 PHE 89 HB3 0.08 -0.03 0.11 -0.04 3.06 3.18 3hy1B1 PHE 89 HD2 -0.09 -0.03 -0.32 -0.04 7.28 6.80 3hy1B1 PHE 89 HE2 -0.54 -0.02 -0.13 -0.04 7.38 6.64 3hy1B1 PHE 89 HZ -1.01 0.03 -0.09 -0.04 7.32 6.21 3hy1B1 PHE 90 H -0.71 0.73 0.35 -0.55 8.34 8.16 3hy1B1 PHE 90 HA -0.22 0.05 0.40 -0.75 4.62 4.09 3hy1B1 PHE 90 HB2 -0.20 -0.12 0.11 -0.04 3.15 2.90 3hy1B1 PHE 90 HB3 -0.07 0.08 -0.27 -0.04 3.06 2.76 3hy1B1 PHE 90 HD2 -0.09 0.06 -0.29 -0.04 7.28 6.92 3hy1B1 PHE 90 HE2 -0.06 -0.01 -0.18 -0.04 7.38 7.09 3hy1B1 PHE 90 HZ -0.05 0.07 -0.11 -0.04 7.32 7.20 3hy1B1 GLU 91 H -0.11 0.06 0.17 -0.55 8.60 8.18 3hy1B1 GLU 91 HA -0.49 0.34 0.91 -0.75 4.29 4.29 3hy1B1 GLU 91 HB2 -0.14 -0.10 0.12 -0.04 2.09 1.93 3hy1B1 GLU 91 HB3 -0.18 0.02 -0.13 -0.04 1.99 1.66 3hy1B1 GLU 91 HG2 -0.26 0.10 -0.25 -0.04 2.34 1.89 3hy1B1 GLU 91 HG3 -0.20 -0.04 -0.14 -0.04 2.34 1.92 3hy1B1 MET 92 H -0.32 0.86 0.21 -0.55 8.47 8.68 3hy1B1 MET 92 HA -0.11 0.18 1.00 -0.75 4.52 4.84 3hy1B1 MET 92 HB2 -0.21 0.03 -0.13 -0.04 2.15 1.80 3hy1B1 MET 92 HB3 -0.16 -0.05 0.08 -0.04 2.03 1.86 3hy1B1 MET 92 HG2 -0.05 0.05 -0.26 -0.04 2.63 2.33 3hy1B1 MET 92 HG3 0.01 0.01 -0.15 -0.04 2.56 2.39 3hy1B1 MET 92 HE3 0.13 0.05 -0.06 -0.04 2.10 2.17 3hy1B1 LEU 93 H -0.33 0.99 0.40 -0.55 8.37 8.88 3hy1B1 LEU 93 HA -0.36 0.22 0.93 -0.75 4.35 4.38 3hy1B1 LEU 93 HB2 -1.10 -0.01 0.16 -0.04 1.64 0.65 3hy1B1 LEU 93 HB3 -2.43 0.04 0.03 -0.04 1.64 -0.76 3hy1B1 LEU 93 HG -0.42 -0.03 -0.02 -0.04 1.64 1.13 3hy1B1 LEU 93 HD13 -0.49 0.00 -0.10 -0.04 0.93 0.30 3hy1B1 LEU 93 HD23 -0.27 -0.01 -0.05 -0.04 0.89 0.52 3hy1B1 GLY 94 H 0.02 0.54 0.40 -0.55 8.43 8.83 3hy1B1 GLY 94 HA2 0.00 0.10 0.79 -0.51 4.01 4.40 3hy1B1 GLY 94 HA3 -0.22 0.05 0.30 -0.51 4.01 3.63 3hy1B1 ASN 95 H -0.26 0.15 0.17 -0.55 8.53 8.04 3hy1B1 ASN 95 HA -0.60 0.31 1.01 -0.75 4.76 4.72 3hy1B1 ASN 95 HB2 -0.82 0.08 0.02 -0.04 2.88 2.11 3hy1B1 ASN 95 HB3 -2.16 0.02 0.01 -0.04 2.79 0.63 3hy1B1 ASN 95 HD21 0.07 0.01 -0.10 -0.04 7.03 6.97 3hy1B1 ASN 95 HD22 0.10 0.04 -0.20 -0.04 7.74 7.64 3hy1B1 PHE 96 H -0.04 0.68 0.33 -0.55 8.34 8.76 3hy1B1 PHE 96 HA -0.08 0.30 1.01 -0.75 4.62 5.10 3hy1B1 PHE 96 HB2 -0.57 -0.08 -0.04 -0.04 3.15 2.42 3hy1B1 PHE 96 HB3 -0.06 0.11 0.04 -0.04 3.06 3.11 3hy1B1 PHE 96 HD2 0.11 0.04 -0.18 -0.04 7.28 7.21 3hy1B1 PHE 96 HE2 0.23 -0.06 -0.22 -0.04 7.38 7.28 3hy1B1 PHE 96 HZ 0.21 -0.10 -0.21 -0.04 7.32 7.18 3hy1B1 SER 97 H -0.19 0.39 0.35 -0.55 8.46 8.45 3hy1B1 SER 97 HA -0.58 0.29 0.77 -0.75 4.49 4.21 3hy1B1 SER 97 HB2 -0.58 -0.09 0.21 -0.04 3.95 3.46 3hy1B1 SER 97 HB3 -1.88 -0.02 0.07 -0.04 3.93 2.06 3hy1B1 PHE 98 H -0.51 0.63 0.12 -0.55 8.34 8.03 3hy1B1 PHE 98 HA 0.06 0.10 0.83 -0.75 4.62 4.86 3hy1B1 PHE 98 HB2 -0.13 0.05 0.25 -0.04 3.15 3.27 3hy1B1 PHE 98 HB3 -0.16 0.12 0.04 -0.04 3.06 3.03 3hy1B1 PHE 98 HD2 -0.44 0.07 -0.20 -0.04 7.28 6.66 3hy1B1 PHE 98 HE2 -0.59 -0.02 -0.26 -0.04 7.38 6.47 3hy1B1 PHE 98 HZ -1.46 -0.04 -0.19 -0.04 7.32 5.60 3hy1B1 GLY 99 H 0.08 0.16 -0.04 -0.55 8.43 8.09 3hy1B1 GLY 99 HA2 -0.03 0.43 0.18 -0.51 4.01 4.08 3hy1B1 GLY 99 HA3 0.01 0.03 0.42 -0.51 4.01 3.97 3hy1B1 ASP 100 H -0.10 -0.11 -0.49 -0.55 8.40 7.15 3hy1B1 ASP 100 HA 0.00 0.20 0.81 -0.75 4.63 4.89 3hy1B1 ASP 100 HB2 -0.06 0.17 0.03 -0.04 2.71 2.81 3hy1B1 ASP 100 HB3 -0.10 -0.27 0.24 -0.04 2.70 2.52 3hy1B1 TYR 101 H 0.05 0.06 0.09 -0.55 8.29 7.95 3hy1B1 TYR 101 HA 0.04 0.16 0.64 -0.75 4.56 4.65 3hy1B1 TYR 101 HB2 0.01 -0.20 0.13 -0.04 3.06 2.96 3hy1B1 TYR 101 HB3 0.05 0.08 0.08 -0.04 2.98 3.14 3hy1B1 TYR 101 HD2 0.04 -0.00 -0.08 -0.04 7.15 7.06 3hy1B1 TYR 101 HE2 0.01 0.03 -0.12 -0.04 6.85 6.73 3hy1B1 PHE 102 H 0.26 0.00 0.07 -0.55 8.34 8.12 3hy1B1 PHE 102 HA -0.03 0.25 0.55 -0.75 4.62 4.64 3hy1B1 PHE 102 HB2 -0.06 0.26 -0.36 -0.04 3.15 2.95 3hy1B1 PHE 102 HB3 -0.08 -0.09 0.02 -0.04 3.06 2.87 3hy1B1 PHE 102 HD2 -0.09 0.07 -0.07 -0.04 7.28 7.14 3hy1B1 PHE 102 HE2 -0.10 0.02 -0.03 -0.04 7.38 7.23 3hy1B1 PHE 102 HZ -0.19 -0.03 -0.07 -0.04 7.32 6.99 3hy1B1 LYS 103 H -1.12 0.24 0.07 -0.55 8.42 7.06 3hy1B1 LYS 103 HA -0.75 0.08 0.03 -0.75 4.32 2.92 3hy1B1 LYS 103 HB2 -1.02 0.02 -0.02 -0.04 1.87 0.81 3hy1B1 LYS 103 HB3 -1.61 0.05 0.08 -0.04 1.79 0.27 3hy1B1 LYS 103 HG2 -0.35 -0.01 0.05 -0.04 1.46 1.11 3hy1B1 LYS 103 HG3 -0.35 0.06 -0.13 -0.04 1.46 1.00 3hy1B1 LYS 103 HD2 -0.34 -0.04 -0.37 -0.04 1.69 0.91 3hy1B1 LYS 103 HD3 -0.36 0.01 -0.06 -0.04 1.68 1.23 3hy1B1 LYS 103 HE2 -0.14 0.06 -0.07 -0.04 2.99 2.80 3hy1B1 LYS 103 HE3 -0.09 -0.12 -0.05 -0.04 2.99 2.69 3hy1B1 LEU 104 H -0.20 0.07 -0.20 -0.55 8.37 7.49 3hy1B1 LEU 104 HA -0.28 0.08 0.33 -0.75 4.35 3.73 3hy1B1 LEU 104 HB2 -0.15 0.02 0.06 -0.04 1.64 1.53 3hy1B1 LEU 104 HB3 -0.12 -0.05 0.07 -0.04 1.64 1.51 3hy1B1 LEU 104 HG -0.20 0.03 -0.34 -0.04 1.64 1.09 3hy1B1 LEU 104 HD13 -0.18 0.01 -0.00 -0.04 0.93 0.72 3hy1B1 LEU 104 HD23 -0.09 0.02 -0.04 -0.04 0.89 0.73 3hy1B1 ASP 105 H -0.13 0.09 -0.04 -0.55 8.40 7.77 3hy1B1 ASP 105 HA -0.58 0.12 0.50 -0.75 4.63 3.91 3hy1B1 ASP 105 HB2 -0.10 -0.06 0.09 -0.04 2.71 2.60 3hy1B1 ASP 105 HB3 -0.99 0.07 -0.03 -0.04 2.70 1.70 3hy1B1 ALA 106 H 0.02 0.48 -0.23 -0.55 8.40 8.12 3hy1B1 ALA 106 HA 0.22 0.04 0.21 -0.75 4.34 4.05 3hy1B1 ALA 106 HB3 0.19 0.02 -0.13 -0.04 1.41 1.45 3hy1B1 ILE 107 H -0.22 0.43 -0.23 -0.55 8.25 7.68 3hy1B1 ILE 107 HA -0.24 0.08 0.47 -0.75 4.18 3.75 3hy1B1 ILE 107 HB -1.01 0.01 0.00 -0.04 1.89 0.85 3hy1B1 ILE 107 HG12 -0.59 0.09 -0.01 -0.04 1.49 0.94 3hy1B1 ILE 107 HG13 -0.74 0.07 -0.52 -0.04 1.21 -0.02 3hy1B1 ILE 107 HG23 -0.14 0.07 -0.02 -0.04 0.93 0.79 3hy1B1 ILE 107 HD13 -1.91 -0.01 -0.19 -0.04 0.88 -1.27 3hy1B1 LEU 108 H -0.35 0.32 -0.24 -0.55 8.37 7.55 3hy1B1 LEU 108 HA -0.14 0.08 0.51 -0.75 4.35 4.04 3hy1B1 LEU 108 HB2 -0.44 0.03 0.21 -0.04 1.64 1.39 3hy1B1 LEU 108 HB3 -0.19 -0.01 -0.03 -0.04 1.64 1.37 3hy1B1 LEU 108 HG -0.30 0.12 0.06 -0.04 1.64 1.47 3hy1B1 LEU 108 HD13 -0.20 -0.03 -0.08 -0.04 0.93 0.57 3hy1B1 LEU 108 HD23 -0.17 -0.00 -0.09 -0.04 0.89 0.59 3hy1B1 PHE 109 H -0.33 0.70 -0.07 -0.55 8.34 8.09 3hy1B1 PHE 109 HA 0.09 0.04 0.39 -0.75 4.62 4.38 3hy1B1 PHE 109 HB2 0.10 0.12 0.04 -0.04 3.15 3.37 3hy1B1 PHE 109 HB3 0.16 -0.04 -0.08 -0.04 3.06 3.06 3hy1B1 PHE 109 HD2 -0.11 -0.04 -0.11 -0.04 7.28 6.98 3hy1B1 PHE 109 HE2 -0.57 -0.02 -0.06 -0.04 7.38 6.68 3hy1B1 PHE 109 HZ -0.24 0.03 -0.01 -0.04 7.32 7.05 3hy1B1 ALA 110 H -0.02 0.31 -0.38 -0.55 8.40 7.76 3hy1B1 ALA 110 HA -0.22 -0.00 0.32 -0.75 4.34 3.68 3hy1B1 ALA 110 HB3 -0.57 0.02 0.03 -0.04 1.41 0.85 3hy1B1 TRP 111 H 0.19 0.58 -0.20 -0.55 7.97 8.00 3hy1B1 TRP 111 HA 0.15 0.02 0.37 -0.75 4.62 4.41 3hy1B1 TRP 111 HB2 0.01 0.02 0.09 -0.04 3.23 3.32 3hy1B1 TRP 111 HB3 -0.04 0.06 0.14 -0.04 3.23 3.35 3hy1B1 TRP 111 HD1 0.02 -0.02 -0.11 -0.04 7.22 7.07 3hy1B1 TRP 111 HE1 0.06 0.02 -0.03 -0.04 10.20 10.21 3hy1B1 TRP 111 HE3 0.41 -0.06 -0.06 -0.04 7.59 7.84 3hy1B1 TRP 111 HZ2 0.07 0.00 -0.01 -0.04 7.44 7.46 3hy1B1 TRP 111 HZ3 0.13 -0.01 -0.07 -0.04 7.13 7.14 3hy1B1 TRP 111 HH2 0.07 0.02 0.01 -0.04 7.19 7.24 3hy1B1 LEU 112 H 0.16 0.58 -0.18 -0.55 8.37 8.39 3hy1B1 LEU 112 HA -0.01 0.01 0.35 -0.75 4.35 3.95 3hy1B1 LEU 112 HB2 0.19 0.09 0.10 -0.04 1.64 1.98 3hy1B1 LEU 112 HB3 0.15 0.07 0.11 -0.04 1.64 1.93 3hy1B1 LEU 112 HG 0.24 -0.03 -0.14 -0.04 1.64 1.67 3hy1B1 LEU 112 HD13 0.15 -0.01 0.03 -0.04 0.93 1.06 3hy1B1 LEU 112 HD23 0.31 -0.01 -0.05 -0.04 0.89 1.11 3hy1B1 LEU 113 H -0.43 0.54 -0.15 -0.55 8.37 7.79 3hy1B1 LEU 113 HA -1.13 -0.01 0.37 -0.75 4.35 2.82 3hy1B1 LEU 113 HB2 -2.11 -0.00 0.06 -0.04 1.64 -0.46 3hy1B1 LEU 113 HB3 -0.35 0.09 0.07 -0.04 1.64 1.42 3hy1B1 LEU 113 HG -1.26 -0.01 -0.20 -0.04 1.64 0.13 3hy1B1 LEU 113 HD13 -1.37 -0.02 -0.03 -0.04 0.93 -0.53 3hy1B1 LEU 113 HD23 -0.23 -0.02 -0.07 -0.04 0.89 0.53 3hy1B1 LEU 114 H -0.10 0.45 -0.25 -0.55 8.37 7.92 3hy1B1 LEU 114 HA 0.05 -0.06 0.39 -0.75 4.35 3.98 3hy1B1 LEU 114 HB2 -0.01 0.14 0.11 -0.04 1.64 1.84 3hy1B1 LEU 114 HB3 0.03 -0.04 -0.06 -0.04 1.64 1.53 3hy1B1 LEU 114 HG 0.58 0.09 0.01 -0.04 1.64 2.28 3hy1B1 LEU 114 HD13 0.42 -0.03 -0.11 -0.04 0.93 1.18 3hy1B1 LEU 114 HD23 0.34 -0.03 -0.05 -0.04 0.89 1.11 3hy1B1 THR 115 H -0.28 0.22 -0.28 -0.55 8.28 7.39 3hy1B1 THR 115 HA -0.25 0.18 0.35 -0.75 4.39 3.92 3hy1B1 THR 115 HB -1.20 0.19 0.08 -0.04 4.32 3.35 3hy1B1 THR 115 HG23 -0.46 -0.05 -0.21 -0.04 1.22 0.46 3hy1B1 SER 116 H -0.10 0.34 0.07 -0.55 8.46 8.22 3hy1B1 SER 116 HA -0.04 -0.01 0.40 -0.75 4.49 4.09 3hy1B1 SER 116 HB2 0.11 0.03 0.18 -0.04 3.95 4.24 3hy1B1 SER 116 HB3 0.34 0.04 0.11 -0.04 3.93 4.38 3hy1B1 GLU 117 H -0.06 0.05 0.17 -0.55 8.60 8.22 3hy1B1 GLU 117 HA -0.06 0.26 0.52 -0.75 4.29 4.26 3hy1B1 GLU 117 HB2 -0.08 -0.08 0.08 -0.04 2.09 1.97 3hy1B1 GLU 117 HB3 -0.06 0.01 0.06 -0.04 1.99 1.96 3hy1B1 GLU 117 HG2 -0.03 0.11 -0.02 -0.04 2.34 2.36 3hy1B1 GLU 117 HG3 -0.03 -0.05 0.06 -0.04 2.34 2.28 3hy1B1 LYS 118 H -0.27 -0.03 -0.12 -0.55 8.42 7.45 3hy1B1 LYS 118 HA -0.46 0.05 0.45 -0.75 4.32 3.61 3hy1B1 LYS 118 HB2 -0.47 -0.06 0.08 -0.04 1.87 1.38 3hy1B1 LYS 118 HB3 -1.57 0.02 -0.04 -0.04 1.79 0.15 3hy1B1 LYS 118 HG2 -0.51 -0.02 0.03 -0.04 1.46 0.91 3hy1B1 LYS 118 HG3 -0.82 -0.02 -0.03 -0.04 1.46 0.55 3hy1B1 LYS 118 HD2 -2.77 0.00 -0.21 -0.04 1.69 -1.33 3hy1B1 LYS 118 HD3 -0.84 0.09 0.23 -0.04 1.68 1.12 3hy1B1 LYS 118 HE2 -0.40 -0.01 0.01 -0.04 2.99 2.55 3hy1B1 LYS 118 HE3 -0.58 -0.02 -0.02 -0.04 2.99 2.32 3hy1B1 TRP 119 H -0.26 0.09 -0.62 -0.55 7.97 6.64 3hy1B1 TRP 119 HA -0.10 0.05 0.66 -0.75 4.62 4.47 3hy1B1 TRP 119 HB2 -0.47 0.39 0.21 -0.04 3.23 3.32 3hy1B1 TRP 119 HB3 -0.68 -0.14 0.16 -0.04 3.23 2.53 3hy1B1 TRP 119 HD1 -0.27 0.17 -0.08 -0.04 7.22 6.99 3hy1B1 TRP 119 HE1 0.06 -0.02 -0.10 -0.04 10.20 10.10 3hy1B1 TRP 119 HE3 -0.11 -0.00 -0.06 -0.04 7.59 7.37 3hy1B1 TRP 119 HZ2 0.12 0.00 -0.06 -0.04 7.44 7.46 3hy1B1 TRP 119 HZ3 0.01 -0.05 0.00 -0.04 7.13 7.05 3hy1B1 TRP 119 HH2 0.04 -0.02 -0.09 -0.04 7.19 7.07 3hy1B1 PHE 120 H -0.39 0.15 0.16 -0.55 8.34 7.70 3hy1B1 PHE 120 HA -0.01 -0.04 0.51 -0.75 4.62 4.33 3hy1B1 PHE 120 HB2 -0.04 0.17 0.09 -0.04 3.15 3.32 3hy1B1 PHE 120 HB3 -0.07 -0.08 0.11 -0.04 3.06 2.98 3hy1B1 PHE 120 HD2 -0.01 0.01 -0.07 -0.04 7.28 7.17 3hy1B1 PHE 120 HE2 -0.06 -0.05 -0.05 -0.04 7.38 7.17 3hy1B1 PHE 120 HZ -0.01 -0.06 -0.05 -0.04 7.32 7.16 3hy1B1 ALA 121 H 0.08 0.01 0.01 -0.55 8.40 7.96 3hy1B1 ALA 121 HA 0.00 0.43 0.72 -0.75 4.34 4.74 3hy1B1 ALA 121 HB3 0.01 -0.02 0.00 -0.04 1.41 1.37 3hy1B1 LEU 122 H 0.02 0.64 -0.05 -0.55 8.37 8.43 3hy1B1 LEU 122 HA 0.07 0.04 0.46 -0.75 4.35 4.16 3hy1B1 LEU 122 HB2 0.02 0.03 -0.03 -0.04 1.64 1.62 3hy1B1 LEU 122 HB3 0.20 -0.01 -0.00 -0.04 1.64 1.79 3hy1B1 LEU 122 HG 0.05 0.10 0.05 -0.04 1.64 1.80 3hy1B1 LEU 122 HD13 0.01 -0.04 -0.03 -0.04 0.93 0.83 3hy1B1 LEU 122 HD23 -0.33 -0.02 -0.06 -0.04 0.89 0.44 3hy1B1 PRO 123 HA 0.06 0.04 0.55 -0.51 4.44 4.59 3hy1B1 PRO 123 HB2 0.11 -0.11 0.08 -0.04 2.28 2.32 3hy1B1 PRO 123 HB3 0.08 -0.01 0.11 -0.04 2.02 2.16 3hy1B1 PRO 123 HG2 0.16 0.03 0.12 -0.04 2.03 2.30 3hy1B1 PRO 123 HG3 0.10 0.08 0.14 -0.04 2.03 2.30 3hy1B1 PRO 123 HD2 0.30 0.04 0.25 -0.04 3.68 4.23 3hy1B1 PRO 123 HD3 0.12 0.33 0.30 -0.04 3.65 4.35 3hy1B1 LYS 124 H 0.06 0.17 0.21 -0.55 8.42 8.30 3hy1B1 LYS 124 HA 0.13 0.13 0.42 -0.75 4.32 4.24 3hy1B1 LYS 124 HB2 0.16 -0.05 0.10 -0.04 1.87 2.03 3hy1B1 LYS 124 HB3 0.42 0.07 0.08 -0.04 1.79 2.31 3hy1B1 LYS 124 HG2 0.02 0.12 0.10 -0.04 1.46 1.66 3hy1B1 LYS 124 HG3 0.10 -0.06 0.15 -0.04 1.46 1.61 3hy1B1 LYS 124 HD2 0.22 -0.03 0.04 -0.04 1.69 1.88 3hy1B1 LYS 124 HD3 0.63 0.06 0.03 -0.04 1.68 2.36 3hy1B1 LYS 124 HE2 0.06 0.06 -0.00 -0.04 2.99 3.07 3hy1B1 LYS 124 HE3 0.12 -0.04 0.02 -0.04 2.99 3.05 3hy1B1 GLU 125 H 0.07 0.03 -0.17 -0.55 8.60 7.99 3hy1B1 GLU 125 HA 0.01 0.07 0.11 -0.75 4.29 3.73 3hy1B1 GLU 125 HB2 0.04 -0.02 0.02 -0.04 2.09 2.10 3hy1B1 GLU 125 HB3 0.02 0.03 0.04 -0.04 1.99 2.04 3hy1B1 GLU 125 HG2 0.03 0.03 0.03 -0.04 2.34 2.38 3hy1B1 GLU 125 HG3 0.05 -0.04 0.07 -0.04 2.34 2.37 3hy1B1 ARG 126 H 0.07 0.15 -0.67 -0.55 8.46 7.46 3hy1B1 ARG 126 HA 0.09 0.11 0.80 -0.75 4.34 4.59 3hy1B1 ARG 126 HB2 -0.01 0.03 0.08 -0.04 1.90 1.96 3hy1B1 ARG 126 HB3 -0.41 -0.08 0.01 -0.04 1.80 1.28 3hy1B1 ARG 126 HG2 -0.53 0.19 0.23 -0.04 1.67 1.52 3hy1B1 ARG 126 HG3 -0.08 -0.04 0.04 -0.04 1.67 1.55 3hy1B1 ARG 126 HD2 -0.01 -0.09 0.01 -0.04 3.22 3.09 3hy1B1 ARG 126 HD3 -0.12 0.01 0.07 -0.04 3.22 3.14 3hy1B1 LEU 127 H 0.15 0.42 0.01 -0.55 8.37 8.40 3hy1B1 LEU 127 HA 0.35 0.19 0.61 -0.75 4.35 4.74 3hy1B1 LEU 127 HB2 0.34 0.02 0.08 -0.04 1.64 2.04 3hy1B1 LEU 127 HB3 0.31 -0.07 0.02 -0.04 1.64 1.86 3hy1B1 LEU 127 HG 0.21 0.15 0.06 -0.04 1.64 2.02 3hy1B1 LEU 127 HD13 0.07 -0.02 -0.10 -0.04 0.93 0.84 3hy1B1 LEU 127 HD23 0.37 -0.04 -0.09 -0.04 0.89 1.09 3hy1B1 TRP 128 H 0.50 0.58 0.43 -0.55 7.97 8.93 3hy1B1 TRP 128 HA -0.02 0.26 0.92 -0.75 4.62 5.03 3hy1B1 TRP 128 HB2 0.13 -0.15 0.06 -0.04 3.23 3.22 3hy1B1 TRP 128 HB3 -0.05 0.01 0.02 -0.04 3.23 3.16 3hy1B1 TRP 128 HD1 0.14 0.25 -0.15 -0.04 7.22 7.41 3hy1B1 TRP 128 HE1 0.15 -0.01 -0.05 -0.04 10.20 10.25 3hy1B1 TRP 128 HE3 -0.13 0.01 -0.01 -0.04 7.59 7.42 3hy1B1 TRP 128 HZ2 0.11 -0.03 -0.04 -0.04 7.44 7.44 3hy1B1 TRP 128 HZ3 -0.09 0.05 0.00 -0.04 7.13 7.05 3hy1B1 TRP 128 HH2 -0.02 -0.05 -0.04 -0.04 7.19 7.04 3hy1B1 VAL 129 H -0.06 0.65 0.34 -0.55 8.24 8.62 3hy1B1 VAL 129 HA -0.07 0.32 1.20 -0.75 4.13 4.83 3hy1B1 VAL 129 HB -0.72 0.04 0.09 -0.04 2.12 1.49 3hy1B1 VAL 129 HG13 -1.13 -0.04 -0.21 -0.04 0.97 -0.45 3hy1B1 VAL 129 HG23 -1.36 -0.00 -0.19 -0.04 0.95 -0.64 3hy1B1 THR 130 H 0.10 0.53 0.37 -0.55 8.28 8.74 3hy1B1 THR 130 HA 0.06 0.23 1.11 -0.75 4.39 5.04 3hy1B1 THR 130 HB 0.13 0.06 0.05 -0.04 4.32 4.53 3hy1B1 THR 130 HG23 0.08 0.01 -0.15 -0.04 1.22 1.12 3hy1B1 VAL 131 H 0.13 0.50 0.19 -0.55 8.24 8.51 3hy1B1 VAL 131 HA 0.24 0.28 1.09 -0.75 4.13 4.99 3hy1B1 VAL 131 HB 0.29 -0.02 0.12 -0.04 2.12 2.47 3hy1B1 VAL 131 HG13 0.25 -0.01 -0.28 -0.04 0.97 0.89 3hy1B1 VAL 131 HG23 0.29 -0.01 -0.20 -0.04 0.95 0.99 3hy1B1 TYR 132 H 0.39 0.18 0.30 -0.55 8.29 8.60 3hy1B1 TYR 132 HA 0.19 0.18 0.74 -0.75 4.56 4.91 3hy1B1 TYR 132 HB2 0.29 0.26 0.39 -0.04 3.06 3.95 3hy1B1 TYR 132 HB3 0.27 -0.14 0.25 -0.04 2.98 3.32 3hy1B1 TYR 132 HD2 0.29 -0.08 -0.11 -0.04 7.15 7.20 3hy1B1 TYR 132 HE2 0.17 -0.01 -0.10 -0.04 6.85 6.87 3hy1B1 GLU 133 H -0.49 0.78 0.44 -0.55 8.60 8.79 3hy1B1 GLU 133 HA -0.03 0.07 0.27 -0.75 4.29 3.85 3hy1B1 GLU 133 HB2 -0.35 -0.07 0.11 -0.04 2.09 1.74 3hy1B1 GLU 133 HB3 -0.13 0.03 -0.05 -0.04 1.99 1.81 3hy1B1 GLU 133 HG2 -0.06 -0.00 -0.09 -0.04 2.34 2.15 3hy1B1 GLU 133 HG3 -0.13 -0.04 -0.39 -0.04 2.34 1.75 3hy1B1 SER 134 H -0.04 0.04 -0.17 -0.55 8.46 7.75 3hy1B1 SER 134 HA 0.08 0.19 0.61 -0.75 4.49 4.61 3hy1B1 SER 134 HB2 0.18 0.05 0.14 -0.04 3.95 4.28 3hy1B1 SER 134 HB3 0.19 -0.02 0.08 -0.04 3.93 4.14 3hy1B1 ASP 135 H 0.32 0.41 -0.40 -0.55 8.40 8.18 3hy1B1 ASP 135 HA 0.22 0.10 0.70 -0.75 4.63 4.89 3hy1B1 ASP 135 HB2 0.39 -0.01 0.17 -0.04 2.71 3.22 3hy1B1 ASP 135 HB3 0.32 0.11 0.31 -0.04 2.70 3.40 3hy1B1 ASP 136 H 0.12 0.48 0.03 -0.55 8.40 8.48 3hy1B1 ASP 136 HA 0.13 0.13 0.56 -0.75 4.63 4.69 3hy1B1 ASP 136 HB2 0.05 0.06 0.10 -0.04 2.71 2.88 3hy1B1 ASP 136 HB3 0.03 0.01 0.03 -0.04 2.70 2.73 3hy1B1 GLU 137 H 0.09 0.11 -0.13 -0.55 8.60 8.12 3hy1B1 GLU 137 HA 0.02 0.15 0.52 -0.75 4.29 4.23 3hy1B1 GLU 137 HB2 -0.06 -0.04 0.03 -0.04 2.09 1.98 3hy1B1 GLU 137 HB3 -0.05 0.05 0.04 -0.04 1.99 1.99 3hy1B1 GLU 137 HG2 0.04 0.05 0.05 -0.04 2.34 2.45 3hy1B1 GLU 137 HG3 0.07 -0.05 0.12 -0.04 2.34 2.44 3hy1B1 ALA 138 H 0.05 0.12 -0.17 -0.55 8.40 7.85 3hy1B1 ALA 138 HA -0.10 0.06 0.47 -0.75 4.34 4.02 3hy1B1 ALA 138 HB3 0.18 0.05 0.03 -0.04 1.41 1.63 3hy1B1 TYR 139 H 0.28 0.34 -0.20 -0.55 8.29 8.16 3hy1B1 TYR 139 HA 0.21 0.06 0.29 -0.75 4.56 4.37 3hy1B1 TYR 139 HB2 0.10 0.09 0.06 -0.04 3.06 3.28 3hy1B1 TYR 139 HB3 0.07 0.01 0.11 -0.04 2.98 3.13 3hy1B1 TYR 139 HD2 0.05 -0.01 -0.27 -0.04 7.15 6.88 3hy1B1 TYR 139 HE2 0.02 0.05 -0.05 -0.04 6.85 6.82 3hy1B1 GLU 140 H 0.19 0.43 -0.43 -0.55 8.60 8.24 3hy1B1 GLU 140 HA 0.16 0.05 0.35 -0.75 4.29 4.10 3hy1B1 GLU 140 HB2 0.10 0.21 0.18 -0.04 2.09 2.53 3hy1B1 GLU 140 HB3 0.02 0.05 0.13 -0.04 1.99 2.15 3hy1B1 GLU 140 HG2 0.01 -0.06 -0.10 -0.04 2.34 2.15 3hy1B1 GLU 140 HG3 0.06 -0.00 0.03 -0.04 2.34 2.39 3hy1B1 ILE 141 H -0.05 0.47 -0.13 -0.55 8.25 7.98 3hy1B1 ILE 141 HA -0.16 -0.03 0.39 -0.75 4.18 3.63 3hy1B1 ILE 141 HB -0.44 0.09 0.06 -0.04 1.89 1.57 3hy1B1 ILE 141 HG12 -0.13 0.43 0.25 -0.04 1.49 1.99 3hy1B1 ILE 141 HG13 -0.27 -0.11 -0.05 -0.04 1.21 0.74 3hy1B1 ILE 141 HG23 -0.37 -0.01 -0.04 -0.04 0.93 0.48 3hy1B1 ILE 141 HD13 -0.19 -0.04 -0.02 -0.04 0.88 0.59 3hy1B1 TRP 142 H -0.02 0.54 -0.26 -0.55 7.97 7.68 3hy1B1 TRP 142 HA -0.26 -0.01 0.26 -0.75 4.62 3.87 3hy1B1 TRP 142 HB2 -0.24 0.14 0.06 -0.04 3.23 3.15 3hy1B1 TRP 142 HB3 -0.26 0.03 -0.11 -0.04 3.23 2.85 3hy1B1 TRP 142 HD1 -0.04 0.05 -0.21 -0.04 7.22 6.98 3hy1B1 TRP 142 HE1 0.04 -0.06 -0.10 -0.04 10.20 10.03 3hy1B1 TRP 142 HE3 -0.41 0.02 -0.07 -0.04 7.59 7.08 3hy1B1 TRP 142 HZ2 -0.01 -0.03 -0.12 -0.04 7.44 7.24 3hy1B1 TRP 142 HZ3 -0.17 0.05 -0.10 -0.04 7.13 6.87 3hy1B1 TRP 142 HH2 0.16 0.00 -0.11 -0.04 7.19 7.20 3hy1B1 GLU 143 H -0.02 0.39 -0.28 -0.55 8.60 8.14 3hy1B1 GLU 143 HA -0.09 0.15 0.55 -0.75 4.29 4.14 3hy1B1 GLU 143 HB2 -0.14 0.09 0.10 -0.04 2.09 2.11 3hy1B1 GLU 143 HB3 0.01 0.01 0.10 -0.04 1.99 2.07 3hy1B1 GLU 143 HG2 -0.01 -0.00 0.01 -0.04 2.34 2.29 3hy1B1 GLU 143 HG3 -0.05 0.00 0.05 -0.04 2.34 2.31 3hy1B1 LYS 144 H -0.07 0.46 -0.04 -0.55 8.42 8.23 3hy1B1 LYS 144 HA -0.04 0.17 0.55 -0.75 4.32 4.25 3hy1B1 LYS 144 HB2 -0.01 -0.05 -0.02 -0.04 1.87 1.74 3hy1B1 LYS 144 HB3 -0.04 0.05 0.08 -0.04 1.79 1.84 3hy1B1 LYS 144 HG2 -0.05 0.02 -0.32 -0.04 1.46 1.07 3hy1B1 LYS 144 HG3 -0.03 0.01 -0.03 -0.04 1.46 1.37 3hy1B1 LYS 144 HD2 -0.03 -0.04 -0.07 -0.04 1.69 1.51 3hy1B1 LYS 144 HD3 -0.02 -0.01 -0.06 -0.04 1.68 1.55 3hy1B1 LYS 144 HE2 -0.00 0.02 -0.03 -0.04 2.99 2.93 3hy1B1 LYS 144 HE3 0.00 -0.01 -0.03 -0.04 2.99 2.91 3hy1B1 GLU 145 H -0.13 0.25 0.23 -0.55 8.60 8.41 3hy1B1 GLU 145 HA -0.10 0.11 0.63 -0.75 4.29 4.18 3hy1B1 GLU 145 HB2 -0.22 0.03 0.18 -0.04 2.09 2.04 3hy1B1 GLU 145 HB3 -0.17 0.00 -0.00 -0.04 1.99 1.78 3hy1B1 GLU 145 HG2 -0.11 -0.05 0.00 -0.04 2.34 2.15 3hy1B1 GLU 145 HG3 -0.14 -0.08 0.03 -0.04 2.34 2.11 3hy1B1 VAL 146 H -0.25 0.44 0.03 -0.55 8.24 7.91 3hy1B1 VAL 146 HA -0.35 0.06 0.48 -0.75 4.13 3.58 3hy1B1 VAL 146 HB -0.30 0.12 0.07 -0.04 2.12 1.97 3hy1B1 VAL 146 HG13 -1.22 0.00 -0.22 -0.04 0.97 -0.51 3hy1B1 VAL 146 HG23 -0.68 -0.04 -0.14 -0.04 0.95 0.05 3hy1B1 GLY 147 H -0.16 -0.02 -0.63 -0.55 8.43 7.07 3hy1B1 GLY 147 HA2 -0.09 0.23 0.20 -0.51 4.01 3.83 3hy1B1 GLY 147 HA3 -0.09 0.03 0.34 -0.51 4.01 3.78 3hy1B1 ILE 148 H -0.12 0.27 0.21 -0.55 8.25 8.06 3hy1B1 ILE 148 HA -0.14 0.20 0.83 -0.75 4.18 4.32 3hy1B1 ILE 148 HB -0.17 0.05 -0.15 -0.04 1.89 1.58 3hy1B1 ILE 148 HG12 -0.18 0.03 0.01 -0.04 1.49 1.31 3hy1B1 ILE 148 HG13 -0.33 0.03 -0.10 -0.04 1.21 0.77 3hy1B1 ILE 148 HG23 -0.19 0.00 -0.41 -0.04 0.93 0.29 3hy1B1 ILE 148 HD13 -0.28 -0.01 -0.15 -0.04 0.88 0.41 3hy1B1 PRO 149 HA -0.08 0.03 0.52 -0.51 4.44 4.40 3hy1B1 PRO 149 HB2 -0.15 -0.15 -0.02 -0.04 2.28 1.93 3hy1B1 PRO 149 HB3 -0.09 0.06 0.11 -0.04 2.02 2.06 3hy1B1 PRO 149 HG2 -0.23 0.06 0.06 -0.04 2.03 1.88 3hy1B1 PRO 149 HG3 -0.13 0.08 0.05 -0.04 2.03 1.99 3hy1B1 PRO 149 HD2 -0.12 0.18 0.19 -0.04 3.68 3.89 3hy1B1 PRO 149 HD3 -0.07 0.17 0.10 -0.04 3.65 3.81 3hy1B1 ARG 150 H -0.05 0.16 0.21 -0.55 8.46 8.23 3hy1B1 ARG 150 HA -0.09 0.12 0.44 -0.75 4.34 4.06 3hy1B1 ARG 150 HB2 0.02 -0.02 0.05 -0.04 1.90 1.92 3hy1B1 ARG 150 HB3 0.12 0.03 0.08 -0.04 1.80 1.99 3hy1B1 ARG 150 HG2 0.05 0.06 0.09 -0.04 1.67 1.83 3hy1B1 ARG 150 HG3 0.00 -0.03 0.16 -0.04 1.67 1.77 3hy1B1 ARG 150 HD2 0.04 0.01 0.04 -0.04 3.22 3.26 3hy1B1 ARG 150 HD3 0.05 -0.01 0.03 -0.04 3.22 3.25 3hy1B1 GLU 151 H -0.07 0.03 -0.20 -0.55 8.60 7.81 3hy1B1 GLU 151 HA -0.01 0.06 0.28 -0.75 4.29 3.87 3hy1B1 GLU 151 HB2 -0.08 0.08 -0.05 -0.04 2.09 1.99 3hy1B1 GLU 151 HB3 -0.02 -0.01 0.08 -0.04 1.99 2.00 3hy1B1 GLU 151 HG2 -0.12 -0.07 -0.03 -0.04 2.34 2.09 3hy1B1 GLU 151 HG3 -0.08 0.06 -0.00 -0.04 2.34 2.28 3hy1B1 ARG 152 H -0.22 0.25 -0.66 -0.55 8.46 7.28 3hy1B1 ARG 152 HA -0.27 0.21 0.95 -0.75 4.34 4.48 3hy1B1 ARG 152 HB2 -0.55 -0.05 0.02 -0.04 1.90 1.28 3hy1B1 ARG 152 HB3 -0.64 0.01 0.20 -0.04 1.80 1.33 3hy1B1 ARG 152 HG2 -3.72 -0.04 0.05 -0.04 1.67 -2.09 3hy1B1 ARG 152 HG3 -1.82 -0.02 -0.16 -0.04 1.67 -0.37 3hy1B1 ARG 152 HD2 -1.80 0.04 -0.06 -0.04 3.22 1.35 3hy1B1 ARG 152 HD3 -0.81 -0.12 -0.06 -0.04 3.22 2.19 3hy1B1 ILE 153 H -0.11 0.49 -0.18 -0.55 8.25 7.91 3hy1B1 ILE 153 HA -0.16 0.25 0.98 -0.75 4.18 4.50 3hy1B1 ILE 153 HB -0.22 -0.03 0.13 -0.04 1.89 1.74 3hy1B1 ILE 153 HG12 -0.33 -0.00 -0.19 -0.04 1.49 0.92 3hy1B1 ILE 153 HG13 -0.24 0.19 -0.07 -0.04 1.21 1.04 3hy1B1 ILE 153 HG23 -0.33 -0.04 -0.14 -0.04 0.93 0.38 3hy1B1 ILE 153 HD13 -0.54 -0.00 -0.15 -0.04 0.88 0.15 3hy1B1 ILE 154 H 0.02 0.71 0.33 -0.55 8.25 8.76 3hy1B1 ILE 154 HA 0.08 0.17 0.91 -0.75 4.18 4.59 3hy1B1 ILE 154 HB 0.03 -0.07 0.11 -0.04 1.89 1.93 3hy1B1 ILE 154 HG12 0.11 0.07 -0.16 -0.04 1.49 1.47 3hy1B1 ILE 154 HG13 0.17 0.06 -0.27 -0.04 1.21 1.12 3hy1B1 ILE 154 HG23 -0.00 0.00 -0.14 -0.04 0.93 0.75 3hy1B1 ILE 154 HD13 -0.03 -0.01 -0.08 -0.04 0.88 0.71 3hy1B1 ARG 155 H 0.08 0.19 0.17 -0.55 8.46 8.35 3hy1B1 ARG 155 HA 0.11 0.15 0.57 -0.75 4.34 4.40 3hy1B1 ARG 155 HB2 0.02 -0.00 0.14 -0.04 1.90 2.02 3hy1B1 ARG 155 HB3 -0.00 -0.07 -0.01 -0.04 1.80 1.68 3hy1B1 ARG 155 HG2 0.10 0.02 -0.08 -0.04 1.67 1.66 3hy1B1 ARG 155 HG3 0.12 0.06 0.00 -0.04 1.67 1.81 3hy1B1 ARG 155 HD2 -0.04 -0.01 0.02 -0.04 3.22 3.14 3hy1B1 ARG 155 HD3 -0.05 0.00 0.03 -0.04 3.22 3.15 3hy1B1 ILE 156 H 0.05 0.54 0.45 -0.55 8.25 8.74 3hy1B1 ILE 156 HA 0.00 0.22 0.95 -0.75 4.18 4.60 3hy1B1 ILE 156 HB 0.14 -0.06 -0.04 -0.04 1.89 1.89 3hy1B1 ILE 156 HG12 0.07 0.11 -0.64 -0.04 1.49 0.99 3hy1B1 ILE 156 HG13 0.11 -0.05 -0.13 -0.04 1.21 1.10 3hy1B1 ILE 156 HG23 0.08 -0.01 0.11 -0.04 0.93 1.08 3hy1B1 ILE 156 HD13 0.01 0.03 -0.08 -0.04 0.88 0.80 3hy1B1 GLY 157 H 0.02 0.27 0.28 -0.55 8.43 8.45 3hy1B1 GLY 157 HA2 -0.35 0.09 0.66 -0.51 4.01 3.90 3hy1B1 GLY 157 HA3 -0.12 0.13 0.11 -0.51 4.01 3.62 3hy1B1 ASP 158 H -0.04 0.20 0.06 -0.55 8.40 8.06 3hy1B1 ASP 158 HA 0.13 0.01 0.02 -0.75 4.63 4.04 3hy1B1 ASP 158 HB2 -0.03 0.16 0.15 -0.04 2.71 2.95 3hy1B1 ASP 158 HB3 0.01 0.14 0.15 -0.04 2.70 2.96 3hy1B1 ASN 159 H 0.07 0.76 0.55 -0.55 8.53 9.38 3hy1B1 ASN 159 HA 0.02 0.09 0.36 -0.75 4.76 4.48 3hy1B1 ASN 159 HB2 0.03 0.05 0.07 -0.04 2.88 2.99 3hy1B1 ASN 159 HB3 0.03 -0.05 0.11 -0.04 2.79 2.84 3hy1B1 ASN 159 HD21 0.08 -0.07 0.04 -0.04 7.03 7.04 3hy1B1 ASN 159 HD22 0.05 0.08 -0.00 -0.04 7.74 7.82 3hy1B1 LYS 160 H 0.08 0.16 0.03 -0.55 8.42 8.14 3hy1B1 LYS 160 HA 0.05 0.04 0.40 -0.75 4.32 4.05 3hy1B1 LYS 160 HB2 0.09 0.09 -0.47 -0.04 1.87 1.53 3hy1B1 LYS 160 HB3 0.06 -0.01 -0.06 -0.04 1.79 1.74 3hy1B1 LYS 160 HG2 0.07 0.04 -0.05 -0.04 1.46 1.47 3hy1B1 LYS 160 HG3 0.09 -0.14 -0.13 -0.04 1.46 1.24 3hy1B1 LYS 160 HD2 0.13 -0.02 -0.36 -0.04 1.69 1.39 3hy1B1 LYS 160 HD3 0.09 0.02 -0.15 -0.04 1.68 1.61 3hy1B1 LYS 160 HE2 0.09 0.01 -0.07 -0.04 2.99 2.97 3hy1B1 LYS 160 HE3 0.11 -0.06 -0.15 -0.04 2.99 2.86 3hy1B1 GLY 161 H 0.03 0.37 -0.57 -0.55 8.43 7.71 3hy1B1 GLY 161 HA2 0.01 0.02 0.16 -0.51 4.01 3.69 3hy1B1 GLY 161 HA3 0.01 0.11 0.72 -0.51 4.01 4.33 3hy1B1 ALA 162 H 0.01 0.12 -0.00 -0.55 8.40 7.98 3hy1B1 ALA 162 HA -0.02 0.11 0.52 -0.75 4.34 4.19 3hy1B1 ALA 162 HB3 0.00 0.01 0.06 -0.04 1.41 1.44 3hy1B1 PRO 163 HA -0.21 -0.02 0.57 -0.51 4.44 4.27 3hy1B1 PRO 163 HB2 -0.37 0.05 -0.01 -0.04 2.28 1.91 3hy1B1 PRO 163 HB3 -0.24 0.03 0.12 -0.04 2.02 1.89 3hy1B1 PRO 163 HG2 -0.05 0.05 0.11 -0.04 2.03 2.11 3hy1B1 PRO 163 HG3 -0.08 0.06 0.09 -0.04 2.03 2.07 3hy1B1 PRO 163 HD2 -0.03 0.08 0.23 -0.04 3.68 3.92 3hy1B1 PRO 163 HD3 -0.06 0.16 0.19 -0.04 3.65 3.90 3hy1B1 TYR 164 H -0.27 0.07 0.14 -0.55 8.29 7.68 3hy1B1 TYR 164 HA -0.30 -0.08 0.23 -0.75 4.56 3.65 3hy1B1 TYR 164 HB2 -0.14 0.30 0.05 -0.04 3.06 3.23 3hy1B1 TYR 164 HB3 -0.37 -0.02 0.09 -0.04 2.98 2.65 3hy1B1 TYR 164 HD2 -0.65 0.03 -0.09 -0.04 7.15 6.40 3hy1B1 TYR 164 HE2 -0.20 0.01 -0.03 -0.04 6.85 6.60 3hy1B1 ALA 165 H 0.04 0.39 -0.65 -0.55 8.40 7.64 3hy1B1 ALA 165 HA 0.13 0.21 0.72 -0.75 4.34 4.64 3hy1B1 ALA 165 HB3 0.06 0.05 -0.14 -0.04 1.41 1.34 3hy1B1 SER 166 H 0.22 0.51 0.03 -0.55 8.46 8.67 3hy1B1 SER 166 HA 0.17 -0.00 0.89 -0.75 4.49 4.78 3hy1B1 SER 166 HB2 0.31 -0.03 -0.53 -0.04 3.95 3.66 3hy1B1 SER 166 HB3 0.45 0.07 -0.28 -0.04 3.93 4.13 3hy1B1 ASP 167 H 0.17 0.16 0.16 -0.55 8.40 8.35 3hy1B1 ASP 167 HA 0.17 0.18 0.60 -0.75 4.63 4.83 3hy1B1 ASP 167 HB2 0.16 -0.03 0.08 -0.04 2.71 2.87 3hy1B1 ASP 167 HB3 0.18 0.05 0.01 -0.04 2.70 2.89 3hy1B1 ASN 168 H 0.30 -0.03 -0.28 -0.55 8.53 7.97 3hy1B1 ASN 168 HA 0.23 0.27 0.78 -0.75 4.76 5.29 3hy1B1 ASN 168 HB2 0.39 -0.07 -0.10 -0.04 2.88 3.06 3hy1B1 ASN 168 HB3 0.38 0.02 0.15 -0.04 2.79 3.30 3hy1B1 ASN 168 HD21 0.20 -0.01 -0.34 -0.04 7.03 6.83 3hy1B1 ASN 168 HD22 0.23 0.27 -0.08 -0.04 7.74 8.11 3hy1B1 PHE 169 H 0.33 0.41 -0.40 -0.55 8.34 8.13 3hy1B1 PHE 169 HA 0.05 0.14 0.62 -0.75 4.62 4.68 3hy1B1 PHE 169 HB2 -0.12 -0.15 -0.21 -0.04 3.15 2.63 3hy1B1 PHE 169 HB3 0.11 0.11 -0.08 -0.04 3.06 3.16 3hy1B1 PHE 169 HD2 -0.54 0.03 -0.11 -0.04 7.28 6.62 3hy1B1 PHE 169 HE2 -0.14 0.02 -0.03 -0.04 7.38 7.18 3hy1B1 PHE 169 HZ -0.19 0.01 -0.06 -0.04 7.32 7.04 3hy1B1 TRP 170 H -0.41 0.68 0.30 -0.55 7.97 7.99 3hy1B1 TRP 170 HA 0.05 0.20 0.96 -0.75 4.62 5.07 3hy1B1 TRP 170 HB2 -0.04 -0.01 -0.22 -0.04 3.23 2.92 3hy1B1 TRP 170 HB3 -0.16 0.03 -0.06 -0.04 3.23 3.00 3hy1B1 TRP 170 HD1 0.04 0.01 -0.05 -0.04 7.22 7.17 3hy1B1 TRP 170 HE1 0.04 -0.02 -0.13 -0.04 10.20 10.05 3hy1B1 TRP 170 HE3 -0.14 -0.04 -0.35 -0.04 7.59 7.02 3hy1B1 TRP 170 HZ2 0.01 -0.02 -0.16 -0.04 7.44 7.23 3hy1B1 TRP 170 HZ3 -0.10 -0.02 -0.39 -0.04 7.13 6.58 3hy1B1 TRP 170 HH2 -0.06 0.02 -0.15 -0.04 7.19 6.95 3hy1B1 GLN 171 H -0.88 0.29 0.15 -0.55 8.47 7.48 3hy1B1 GLN 171 HA -0.70 0.17 0.87 -0.75 4.36 3.95 3hy1B1 GLN 171 HB2 -0.25 -0.02 -0.00 -0.04 2.15 1.84 3hy1B1 GLN 171 HB3 -0.23 0.18 0.02 -0.04 2.02 1.94 3hy1B1 GLN 171 HG2 0.06 0.01 -0.09 -0.04 2.40 2.34 3hy1B1 GLN 171 HG3 0.08 -0.11 -0.85 -0.04 2.39 1.47 3hy1B1 GLN 171 HE21 0.18 0.12 -0.06 -0.04 6.97 7.17 3hy1B1 GLN 171 HE22 0.40 -0.14 -0.23 -0.04 7.69 7.67 3hy1B1 MET 172 H -0.84 0.54 0.12 -0.55 8.47 7.74 3hy1B1 MET 172 HA -0.52 0.01 0.48 -0.75 4.52 3.74 3hy1B1 MET 172 HB2 -0.18 0.03 0.04 -0.04 2.15 2.00 3hy1B1 MET 172 HB3 -0.13 0.06 0.01 -0.04 2.03 1.93 3hy1B1 MET 172 HG2 0.05 -0.01 -0.09 -0.04 2.63 2.54 3hy1B1 MET 172 HG3 0.18 -0.06 0.04 -0.04 2.56 2.67 3hy1B1 MET 172 HE3 0.19 0.00 -0.03 -0.04 2.10 2.22 3hy1B1 GLY 173 H -0.24 0.19 -0.20 -0.55 8.43 7.64 3hy1B1 GLY 173 HA2 -0.09 0.12 0.36 -0.51 4.01 3.90 3hy1B1 GLY 173 HA3 -0.06 -0.00 0.34 -0.51 4.01 3.78 3hy1B1 ASP 174 H -0.03 0.12 0.11 -0.55 8.40 8.05 3hy1B1 ASP 174 HA -0.03 0.12 0.56 -0.75 4.63 4.53 3hy1B1 ASP 174 HB2 -0.01 -0.04 0.11 -0.04 2.71 2.72 3hy1B1 ASP 174 HB3 -0.01 0.05 -0.02 -0.04 2.70 2.68 3hy1B1 THR 175 H -0.03 0.07 -0.05 -0.55 8.28 7.72 3hy1B1 THR 175 HA -0.02 0.26 0.68 -0.75 4.39 4.56 3hy1B1 THR 175 HB 0.00 0.14 0.01 -0.04 4.32 4.43 3hy1B1 THR 175 HG23 -0.00 -0.01 -0.35 -0.04 1.22 0.82 3hy1B1 GLY 176 H 0.00 0.43 0.16 -0.55 8.43 8.48 3hy1B1 GLY 176 HA2 0.03 0.03 0.28 -0.51 4.01 3.84 3hy1B1 GLY 176 HA3 0.01 0.18 0.87 -0.51 4.01 4.57 3hy1B1 PRO 177 HA 0.10 0.32 0.54 -0.51 4.44 4.88 3hy1B1 PRO 177 HB2 0.26 -0.10 0.02 -0.04 2.28 2.42 3hy1B1 PRO 177 HB3 0.18 0.05 0.07 -0.04 2.02 2.28 3hy1B1 PRO 177 HG2 0.18 0.02 -0.04 -0.04 2.03 2.14 3hy1B1 PRO 177 HG3 0.12 0.18 0.12 -0.04 2.03 2.41 3hy1B1 PRO 177 HD2 0.06 0.07 0.20 -0.04 3.68 3.97 3hy1B1 PRO 177 HD3 0.06 0.13 0.24 -0.04 3.65 4.05 3hy1B1 CYS 178 H 0.12 0.48 0.43 -0.55 8.50 8.98 3hy1B1 CYS 178 HA 0.07 0.10 0.56 -0.75 4.58 4.56 3hy1B1 CYS 178 HB2 0.02 0.07 0.29 -0.04 2.97 3.31 3hy1B1 CYS 178 HB3 -0.08 0.07 0.01 -0.04 2.97 2.93 3hy1B1 GLY 179 H -0.50 0.55 0.42 -0.55 8.43 8.36 3hy1B1 GLY 179 HA2 -0.04 -0.05 0.47 -0.51 4.01 3.88 3hy1B1 GLY 179 HA3 -0.08 0.16 0.91 -0.51 4.01 4.50 3hy1B1 PRO 180 HA -0.16 0.18 0.76 -0.51 4.44 4.72 3hy1B1 PRO 180 HB2 0.30 0.03 0.18 -0.04 2.28 2.75 3hy1B1 PRO 180 HB3 0.23 -0.05 0.25 -0.04 2.02 2.40 3hy1B1 PRO 180 HG2 0.23 0.02 0.14 -0.04 2.03 2.38 3hy1B1 PRO 180 HG3 0.26 -0.01 0.15 -0.04 2.03 2.38 3hy1B1 PRO 180 HD2 0.06 0.13 0.36 -0.04 3.68 4.20 3hy1B1 PRO 180 HD3 0.34 0.10 0.28 -0.04 3.65 4.33 3hy1B1 CYS 181 H 0.18 0.60 0.31 -0.55 8.50 9.04 3hy1B1 CYS 181 HA -0.14 0.27 1.06 -0.75 4.58 5.02 3hy1B1 CYS 181 HB2 0.11 -0.07 -0.09 -0.04 2.97 2.88 3hy1B1 CYS 181 HB3 -0.03 0.00 -0.07 -0.04 2.97 2.82 3hy1B1 THR 182 H -0.13 0.52 0.34 -0.55 8.28 8.46 3hy1B1 THR 182 HA 0.17 0.39 1.02 -0.75 4.39 5.22 3hy1B1 THR 182 HB 0.38 -0.09 0.03 -0.04 4.32 4.60 3hy1B1 THR 182 HG23 0.20 -0.01 0.05 -0.04 1.22 1.42 3hy1B1 GLU 183 H 0.14 0.38 0.34 -0.55 8.60 8.91 3hy1B1 GLU 183 HA 0.03 0.36 1.27 -0.75 4.29 5.19 3hy1B1 GLU 183 HB2 0.19 -0.03 0.06 -0.04 2.09 2.27 3hy1B1 GLU 183 HB3 -0.24 -0.00 0.03 -0.04 1.99 1.73 3hy1B1 GLU 183 HG2 0.03 -0.05 -0.08 -0.04 2.34 2.20 3hy1B1 GLU 183 HG3 0.12 -0.00 -0.15 -0.04 2.34 2.27 3hy1B1 ILE 184 H 0.02 0.47 0.42 -0.55 8.25 8.60 3hy1B1 ILE 184 HA 0.11 0.39 1.21 -0.75 4.18 5.14 3hy1B1 ILE 184 HB 0.27 -0.14 0.19 -0.04 1.89 2.17 3hy1B1 ILE 184 HG12 0.03 0.07 -0.11 -0.04 1.49 1.44 3hy1B1 ILE 184 HG13 0.15 -0.07 -0.24 -0.04 1.21 1.01 3hy1B1 ILE 184 HG23 0.26 0.03 -0.12 -0.04 0.93 1.06 3hy1B1 ILE 184 HD13 0.38 -0.01 -0.11 -0.04 0.88 1.10 3hy1B1 PHE 185 H 0.44 0.91 0.42 -0.55 8.34 9.55 3hy1B1 PHE 185 HA 0.16 0.24 0.98 -0.75 4.62 5.24 3hy1B1 PHE 185 HB2 0.19 0.01 0.01 -0.04 3.15 3.32 3hy1B1 PHE 185 HB3 0.13 0.01 -0.17 -0.04 3.06 2.99 3hy1B1 PHE 185 HD2 0.08 0.10 -0.41 -0.04 7.28 7.01 3hy1B1 PHE 185 HE2 0.04 -0.02 -0.13 -0.04 7.38 7.23 3hy1B1 PHE 185 HZ 0.04 -0.03 -0.10 -0.04 7.32 7.19 3hy1B1 TYR 186 H 0.29 0.48 0.28 -0.55 8.29 8.79 3hy1B1 TYR 186 HA 0.22 0.22 0.90 -0.75 4.56 5.14 3hy1B1 TYR 186 HB2 0.06 -0.03 -0.06 -0.04 3.06 2.99 3hy1B1 TYR 186 HB3 -0.04 -0.02 0.09 -0.04 2.98 2.96 3hy1B1 TYR 186 HD2 -0.10 -0.03 -0.18 -0.04 7.15 6.81 3hy1B1 TYR 186 HE2 -0.01 -0.02 -0.03 -0.04 6.85 6.76 3hy1B1 ASP 187 H -0.35 0.33 0.11 -0.55 8.40 7.95 3hy1B1 ASP 187 HA -0.44 0.06 0.61 -0.75 4.63 4.11 3hy1B1 ASP 187 HB2 0.11 0.08 0.07 -0.04 2.71 2.92 3hy1B1 ASP 187 HB3 -0.08 -0.00 0.21 -0.04 2.70 2.78 3hy1B1 HIS 188 H -0.23 0.36 0.16 -0.55 8.41 8.15 3hy1B1 HIS 188 HA 0.02 0.13 0.36 -0.75 4.63 4.38 3hy1B1 HIS 188 HB2 -0.11 -0.04 0.91 -0.04 3.26 3.99 3hy1B1 HIS 188 HB3 -0.03 -0.04 0.08 -0.04 3.20 3.17 3hy1B1 HIS 188 HD2 -0.00 0.02 -0.04 -0.04 6.97 6.90 3hy1B1 HIS 188 HE1 0.05 0.11 -0.08 -0.04 7.75 7.79 3hy1B1 ARG 206 HA 0.19 -0.01 1.35 -0.75 4.34 5.12 3hy1B1 ARG 206 HB2 -0.05 0.03 -0.00 -0.04 1.90 1.83 3hy1B1 ARG 206 HB3 -0.04 -0.04 0.02 -0.04 1.80 1.70 3hy1B1 ARG 206 HG2 -1.04 -0.01 -0.34 -0.04 1.67 0.24 3hy1B1 ARG 206 HG3 -0.34 -0.16 -0.81 -0.04 1.67 0.32 3hy1B1 ARG 206 HD2 -0.17 0.08 -0.19 -0.04 3.22 2.89 3hy1B1 ARG 206 HD3 -0.14 -0.01 -0.13 -0.04 3.22 2.90 3hy1B1 TYR 207 H 0.12 0.11 0.08 -0.55 8.29 8.05 3hy1B1 TYR 207 HA -0.04 0.30 0.76 -0.75 4.56 4.84 3hy1B1 TYR 207 HB2 -0.18 -0.04 0.13 -0.04 3.06 2.93 3hy1B1 TYR 207 HB3 -0.18 -0.02 -0.08 -0.04 2.98 2.66 3hy1B1 TYR 207 HD2 -0.43 0.02 -0.07 -0.04 7.15 6.63 3hy1B1 TYR 207 HE2 -0.61 0.04 -0.05 -0.04 6.85 6.18 3hy1B1 ILE 208 H 0.13 0.53 0.29 -0.55 8.25 8.65 3hy1B1 ILE 208 HA 0.19 0.16 1.02 -0.75 4.18 4.79 3hy1B1 ILE 208 HB 0.05 -0.06 0.04 -0.04 1.89 1.88 3hy1B1 ILE 208 HG12 0.01 0.07 0.08 -0.04 1.49 1.61 3hy1B1 ILE 208 HG13 0.02 -0.00 -0.36 -0.04 1.21 0.83 3hy1B1 ILE 208 HG23 0.11 0.08 -0.20 -0.04 0.93 0.88 3hy1B1 ILE 208 HD13 0.00 -0.01 -0.06 -0.04 0.88 0.77 3hy1B1 GLU 209 H 0.06 0.11 0.13 -0.55 8.60 8.36 3hy1B1 GLU 209 HA -0.66 0.09 0.50 -0.75 4.29 3.48 3hy1B1 GLU 209 HB2 -0.09 -0.03 0.10 -0.04 2.09 2.04 3hy1B1 GLU 209 HB3 -0.22 -0.03 -0.04 -0.04 1.99 1.66 3hy1B1 GLU 209 HG2 -0.60 0.03 -0.04 -0.04 2.34 1.68 3hy1B1 GLU 209 HG3 0.12 0.02 0.06 -0.04 2.34 2.50 3hy1B1 ILE 210 H -0.15 0.58 0.47 -0.55 8.25 8.59 3hy1B1 ILE 210 HA -0.05 0.11 0.96 -0.75 4.18 4.44 3hy1B1 ILE 210 HB 0.13 0.14 0.09 -0.04 1.89 2.20 3hy1B1 ILE 210 HG12 0.08 0.16 -0.11 -0.04 1.49 1.58 3hy1B1 ILE 210 HG13 0.09 0.01 -0.10 -0.04 1.21 1.17 3hy1B1 ILE 210 HG23 0.06 -0.02 -0.11 -0.04 0.93 0.82 3hy1B1 ILE 210 HD13 -0.07 0.01 -0.13 -0.04 0.88 0.65 3hy1B1 TRP 211 H 0.10 0.19 0.33 -0.55 7.97 8.04 3hy1B1 TRP 211 HA -0.02 0.28 1.04 -0.75 4.62 5.16 3hy1B1 TRP 211 HB2 0.07 0.01 -0.23 -0.04 3.23 3.05 3hy1B1 TRP 211 HB3 0.08 -0.04 0.07 -0.04 3.23 3.31 3hy1B1 TRP 211 HD1 -0.01 0.09 -0.05 -0.04 7.22 7.21 3hy1B1 TRP 211 HE1 0.05 -0.12 -0.15 -0.04 10.20 9.94 3hy1B1 TRP 211 HE3 0.16 0.03 -0.08 -0.04 7.59 7.65 3hy1B1 TRP 211 HZ2 0.46 -0.05 -0.14 -0.04 7.44 7.66 3hy1B1 TRP 211 HZ3 0.04 0.14 0.01 -0.04 7.13 7.29 3hy1B1 TRP 211 HH2 0.25 0.03 -0.12 -0.04 7.19 7.31 3hy1B1 ASN 212 H 0.30 0.73 0.40 -0.55 8.53 9.41 3hy1B1 ASN 212 HA 0.04 0.20 1.07 -0.75 4.76 5.32 3hy1B1 ASN 212 HB2 0.04 -0.01 0.05 -0.04 2.88 2.91 3hy1B1 ASN 212 HB3 0.05 -0.04 0.18 -0.04 2.79 2.94 3hy1B1 ASN 212 HD21 -0.06 0.02 -0.17 -0.04 7.03 6.78 3hy1B1 ASN 212 HD22 -0.05 -0.06 -0.14 -0.04 7.74 7.44 3hy1B1 ILE 213 H -0.10 0.52 0.25 -0.55 8.25 8.37 3hy1B1 ILE 213 HA -0.24 0.16 1.15 -0.75 4.18 4.49 3hy1B1 ILE 213 HB -0.32 0.02 0.19 -0.04 1.89 1.75 3hy1B1 ILE 213 HG12 -0.47 -0.01 -0.17 -0.04 1.49 0.80 3hy1B1 ILE 213 HG13 -0.33 -0.03 -0.46 -0.04 1.21 0.35 3hy1B1 ILE 213 HG23 -0.61 -0.02 -0.25 -0.04 0.93 0.01 3hy1B1 ILE 213 HD13 -0.41 0.00 -0.18 -0.04 0.88 0.26 3hy1B1 VAL 214 H -0.36 0.92 0.36 -0.55 8.24 8.62 3hy1B1 VAL 214 HA -0.37 0.09 0.70 -0.75 4.13 3.79 3hy1B1 VAL 214 HB -0.59 0.06 0.16 -0.04 2.12 1.70 3hy1B1 VAL 214 HG13 -0.81 -0.01 -0.36 -0.04 0.97 -0.24 3hy1B1 VAL 214 HG23 -0.52 -0.02 -0.15 -0.04 0.95 0.23 3hy1B1 PHE 215 H -0.23 0.58 0.27 -0.55 8.34 8.41 3hy1B1 PHE 215 HA -0.07 0.20 1.01 -0.75 4.62 5.00 3hy1B1 PHE 215 HB2 -0.10 0.08 0.21 -0.04 3.15 3.30 3hy1B1 PHE 215 HB3 -0.16 -0.04 0.03 -0.04 3.06 2.85 3hy1B1 PHE 215 HD2 -0.22 0.06 -0.08 -0.04 7.28 7.00 3hy1B1 PHE 215 HE2 -0.13 -0.03 -0.14 -0.04 7.38 7.04 3hy1B1 PHE 215 HZ -0.15 0.03 -0.07 -0.04 7.32 7.09 3hy1B1 MET 216 H 0.16 0.56 0.10 -0.55 8.47 8.75 3hy1B1 MET 216 HA 0.11 0.16 0.60 -0.75 4.52 4.64 3hy1B1 MET 216 HB2 0.03 -0.12 0.24 -0.04 2.15 2.26 3hy1B1 MET 216 HB3 0.11 0.04 0.06 -0.04 2.03 2.19 3hy1B1 MET 216 HG2 -0.01 0.00 -0.32 -0.04 2.63 2.26 3hy1B1 MET 216 HG3 -0.23 0.01 -0.27 -0.04 2.56 2.02 3hy1B1 MET 216 HE3 -1.17 -0.01 -0.19 -0.04 2.10 0.69 3hy1B1 GLN 217 H -0.09 0.33 0.28 -0.55 8.47 8.45 3hy1B1 GLN 217 HA -0.29 0.10 0.65 -0.75 4.36 4.06 3hy1B1 GLN 217 HB2 -1.24 0.01 0.25 -0.04 2.15 1.13 3hy1B1 GLN 217 HB3 -1.25 -0.02 0.06 -0.04 2.02 0.78 3hy1B1 GLN 217 HG2 0.45 -0.00 -0.00 -0.04 2.40 2.81 3hy1B1 GLN 217 HG3 0.05 0.04 0.05 -0.04 2.39 2.49 3hy1B1 GLN 217 HE21 0.06 -0.03 0.04 -0.04 6.97 6.99 3hy1B1 GLN 217 HE22 -0.18 0.07 0.05 -0.04 7.69 7.60 3hy1B1 PHE 218 H -0.06 0.60 0.31 -0.55 8.34 8.64 3hy1B1 PHE 218 HA 0.02 0.19 0.90 -0.75 4.62 4.98 3hy1B1 PHE 218 HB2 0.03 -0.02 -0.14 -0.04 3.15 2.97 3hy1B1 PHE 218 HB3 0.02 -0.02 -0.31 -0.04 3.06 2.71 3hy1B1 PHE 218 HD2 0.07 0.05 -0.20 -0.04 7.28 7.16 3hy1B1 PHE 218 HE2 0.13 -0.01 0.02 -0.04 7.38 7.48 3hy1B1 PHE 218 HZ 0.13 -0.03 0.01 -0.04 7.32 7.40 3hy1B1 ASN 219 H 0.16 0.86 0.11 -0.55 8.53 9.11 3hy1B1 ASN 219 HA 0.08 0.16 0.54 -0.75 4.76 4.78 3hy1B1 ASN 219 HB2 0.06 0.05 -0.05 -0.04 2.88 2.89 3hy1B1 ASN 219 HB3 0.06 -0.02 0.17 -0.04 2.79 2.95 3hy1B1 ASN 219 HD21 0.03 -0.01 -0.07 -0.04 7.03 6.93 3hy1B1 ASN 219 HD22 0.03 -0.04 -0.04 -0.04 7.74 7.65 3hy1B1 ARG 220 H 0.05 0.52 -0.04 -0.55 8.46 8.43 3hy1B1 ARG 220 HA 0.01 0.14 0.46 -0.75 4.34 4.19 3hy1B1 ARG 220 HB2 -0.02 -0.04 0.00 -0.04 1.90 1.80 3hy1B1 ARG 220 HB3 -0.01 -0.04 0.10 -0.04 1.80 1.80 3hy1B1 ARG 220 HG2 -0.01 0.16 -0.17 -0.04 1.67 1.60 3hy1B1 ARG 220 HG3 -0.03 -0.01 -0.19 -0.04 1.67 1.40 3hy1B1 ARG 220 HD2 -0.03 0.18 -0.02 -0.04 3.22 3.31 3hy1B1 ARG 220 HD3 -0.01 -0.03 -0.01 -0.04 3.22 3.14 3hy1B1 GLN 221 H 0.01 0.74 0.36 -0.55 8.47 9.03 3hy1B1 GLN 221 HA 0.01 0.14 0.57 -0.75 4.36 4.33 3hy1B1 GLN 221 HB2 0.01 -0.19 0.19 -0.04 2.15 2.11 3hy1B1 GLN 221 HB3 0.01 -0.09 0.20 -0.04 2.02 2.09 3hy1B1 GLN 221 HG2 0.02 0.20 0.16 -0.04 2.40 2.74 3hy1B1 GLN 221 HG3 0.01 -0.04 0.06 -0.04 2.39 2.38 3hy1B1 GLN 221 HE21 0.01 0.04 0.03 -0.04 6.97 7.02 3hy1B1 GLN 221 HE22 0.01 -0.11 0.09 -0.04 7.69 7.64 3hy1B1 ALA 222 H 0.01 0.17 0.17 -0.55 8.40 8.20 3hy1B1 ALA 222 HA 0.00 0.14 0.32 -0.75 4.34 4.05 3hy1B1 ALA 222 HB3 0.00 0.01 0.10 -0.04 1.41 1.49 3hy1B1 ASP 223 H 0.00 -0.04 -0.34 -0.55 8.40 7.47 3hy1B1 ASP 223 HA 0.00 0.23 0.69 -0.75 4.63 4.80 3hy1B1 ASP 223 HB2 0.00 0.05 0.11 -0.04 2.71 2.84 3hy1B1 ASP 223 HB3 0.00 0.01 0.03 -0.04 2.70 2.70 3hy1B1 GLY 224 H 0.00 0.44 -0.31 -0.55 8.43 8.02 3hy1B1 GLY 224 HA2 0.00 0.12 0.23 -0.51 4.01 3.86 3hy1B1 GLY 224 HA3 0.01 0.17 0.71 -0.51 4.01 4.39 3hy1B1 THR 225 H 0.00 -0.07 -0.15 -0.55 8.28 7.52 3hy1B1 THR 225 HA -0.01 0.11 0.43 -0.75 4.39 4.17 3hy1B1 THR 225 HB 0.01 -0.09 0.09 -0.04 4.32 4.29 3hy1B1 THR 225 HG23 0.00 0.02 -0.14 -0.04 1.22 1.06 3hy1B1 MET 226 H -0.04 0.17 0.11 -0.55 8.47 8.16 3hy1B1 MET 226 HA -0.03 0.12 0.55 -0.75 4.52 4.42 3hy1B1 MET 226 HB2 -0.24 -0.01 0.19 -0.04 2.15 2.06 3hy1B1 MET 226 HB3 -0.45 -0.02 -0.04 -0.04 2.03 1.48 3hy1B1 MET 226 HG2 -0.11 0.10 0.04 -0.04 2.63 2.61 3hy1B1 MET 226 HG3 -0.25 -0.03 0.02 -0.04 2.56 2.25 3hy1B1 MET 226 HE3 -0.58 -0.02 -0.07 -0.04 2.10 1.39 3hy1B1 GLU 227 H 0.05 0.44 -0.01 -0.55 8.60 8.54 3hy1B1 GLU 227 HA 0.07 0.12 0.60 -0.75 4.29 4.32 3hy1B1 GLU 227 HB2 0.05 0.13 0.22 -0.04 2.09 2.45 3hy1B1 GLU 227 HB3 0.05 0.10 -0.01 -0.04 1.99 2.09 3hy1B1 GLU 227 HG2 0.03 0.02 0.00 -0.04 2.34 2.35 3hy1B1 GLU 227 HG3 0.03 -0.08 -0.03 -0.04 2.34 2.21 3hy1B1 PRO 228 HA 0.28 0.02 0.44 -0.51 4.44 4.67 3hy1B1 PRO 228 HB2 0.07 0.03 0.02 -0.04 2.28 2.35 3hy1B1 PRO 228 HB3 0.13 0.01 0.07 -0.04 2.02 2.19 3hy1B1 PRO 228 HG2 0.11 -0.00 0.10 -0.04 2.03 2.20 3hy1B1 PRO 228 HG3 0.26 0.01 0.10 -0.04 2.03 2.36 3hy1B1 PRO 228 HD2 0.08 0.04 0.23 -0.04 3.68 3.99 3hy1B1 PRO 228 HD3 0.11 0.39 0.45 -0.04 3.65 4.55 3hy1B1 LEU 229 H -0.07 0.96 0.55 -0.55 8.37 9.26 3hy1B1 LEU 229 HA -0.01 0.06 0.46 -0.75 4.35 4.11 3hy1B1 LEU 229 HB2 -0.15 0.09 0.12 -0.04 1.64 1.66 3hy1B1 LEU 229 HB3 -0.08 -0.06 -0.17 -0.04 1.64 1.29 3hy1B1 LEU 229 HG 0.01 -0.13 -0.42 -0.04 1.64 1.05 3hy1B1 LEU 229 HD13 0.00 0.05 -0.18 -0.04 0.93 0.76 3hy1B1 LEU 229 HD23 0.02 0.00 -0.09 -0.04 0.89 0.79 3hy1B1 PRO 230 HA -0.04 0.03 0.33 -0.51 4.44 4.24 3hy1B1 PRO 230 HB2 -0.03 0.04 -0.02 -0.04 2.28 2.23 3hy1B1 PRO 230 HB3 -0.02 -0.01 0.12 -0.04 2.02 2.07 3hy1B1 PRO 230 HG2 -0.02 0.05 0.08 -0.04 2.03 2.10 3hy1B1 PRO 230 HG3 -0.01 0.01 0.09 -0.04 2.03 2.08 3hy1B1 PRO 230 HD2 -0.01 0.07 0.20 -0.04 3.68 3.90 3hy1B1 PRO 230 HD3 -0.00 0.17 0.22 -0.04 3.65 4.00 3hy1B1 LYS 231 H -0.08 0.11 -0.37 -0.55 8.42 7.53 3hy1B1 LYS 231 HA -0.17 0.09 0.43 -0.75 4.32 3.91 3hy1B1 LYS 231 HB2 -0.08 0.07 0.09 -0.04 1.87 1.91 3hy1B1 LYS 231 HB3 -0.06 0.06 0.01 -0.04 1.79 1.76 3hy1B1 LYS 231 HG2 -0.04 -0.11 0.06 -0.04 1.46 1.33 3hy1B1 LYS 231 HG3 -0.04 0.08 0.14 -0.04 1.46 1.60 3hy1B1 LYS 231 HD2 -0.03 -0.07 -0.04 -0.04 1.69 1.51 3hy1B1 LYS 231 HD3 -0.02 0.01 0.04 -0.04 1.68 1.67 3hy1B1 LYS 231 HE2 -0.04 0.01 0.02 -0.04 2.99 2.94 3hy1B1 LYS 231 HE3 -0.02 -0.08 0.02 -0.04 2.99 2.87 3hy1B1 PRO 232 HA -0.14 0.11 0.30 -0.51 4.44 4.20 3hy1B1 PRO 232 HB2 -0.57 -0.05 0.09 -0.04 2.28 1.71 3hy1B1 PRO 232 HB3 -0.41 0.11 0.28 -0.04 2.02 1.96 3hy1B1 PRO 232 HG2 -2.49 -0.12 -0.03 -0.04 2.03 -0.65 3hy1B1 PRO 232 HG3 -0.94 0.05 0.08 -0.04 2.03 1.18 3hy1B1 PRO 232 HD2 -0.47 0.08 0.02 -0.04 3.68 3.27 3hy1B1 PRO 232 HD3 -0.37 0.23 0.08 -0.04 3.65 3.55 3hy1B1 SER 233 H 0.02 0.30 0.31 -0.55 8.46 8.55 3hy1B1 SER 233 HA 0.05 0.20 1.03 -0.75 4.49 5.01 3hy1B1 SER 233 HB2 0.11 -0.04 0.12 -0.04 3.95 4.10 3hy1B1 SER 233 HB3 0.35 0.15 0.33 -0.04 3.93 4.72 3hy1B1 VAL 234 H 0.03 0.54 0.44 -0.55 8.24 8.69 3hy1B1 VAL 234 HA -0.01 0.27 1.05 -0.75 4.13 4.68 3hy1B1 VAL 234 HB -0.21 -0.10 0.05 -0.04 2.12 1.83 3hy1B1 VAL 234 HG13 -0.03 0.01 -0.23 -0.04 0.97 0.68 3hy1B1 VAL 234 HG23 0.19 0.02 -0.27 -0.04 0.95 0.85 3hy1B1 ASP 235 H -0.25 0.72 0.29 -0.55 8.40 8.63 3hy1B1 ASP 235 HA 0.10 0.17 0.82 -0.75 4.63 4.97 3hy1B1 ASP 235 HB2 -0.28 0.06 -0.07 -0.04 2.71 2.38 3hy1B1 ASP 235 HB3 -0.50 -0.01 0.05 -0.04 2.70 2.20 3hy1B1 THR 236 H -0.22 0.36 0.26 -0.55 8.28 8.13 3hy1B1 THR 236 HA -0.06 0.27 1.31 -0.75 4.39 5.15 3hy1B1 THR 236 HB 0.16 0.08 0.12 -0.04 4.32 4.64 3hy1B1 THR 236 HG23 -0.14 0.06 -0.11 -0.04 1.22 0.99 3hy1B1 ALA 237 H 0.30 0.70 0.39 -0.55 8.40 9.24 3hy1B1 ALA 237 HA 0.02 0.17 0.88 -0.75 4.34 4.65 3hy1B1 ALA 237 HB3 0.04 -0.02 -0.04 -0.04 1.41 1.35 3hy1B1 MET 238 H -0.24 0.76 0.33 -0.55 8.47 8.77 3hy1B1 MET 238 HA -0.24 0.24 1.04 -0.75 4.52 4.81 3hy1B1 MET 238 HB2 -1.52 -0.01 0.08 -0.04 2.15 0.67 3hy1B1 MET 238 HB3 -0.91 -0.02 0.16 -0.04 2.03 1.23 3hy1B1 MET 238 HG2 -0.51 -0.14 -0.23 -0.04 2.63 1.70 3hy1B1 MET 238 HG3 -0.38 0.18 0.13 -0.04 2.56 2.45 3hy1B1 MET 238 HE3 -0.61 -0.02 -0.08 -0.04 2.10 1.35 3hy1B1 GLY 239 H -0.13 0.28 0.16 -0.55 8.43 8.19 3hy1B1 GLY 239 HA2 0.00 0.19 0.78 -0.51 4.01 4.47 3hy1B1 GLY 239 HA3 -0.06 0.02 0.41 -0.51 4.01 3.86 3hy1B1 LEU 240 H -0.09 0.60 0.37 -0.55 8.37 8.71 3hy1B1 LEU 240 HA -0.21 0.14 0.42 -0.75 4.35 3.94 3hy1B1 LEU 240 HB2 -0.18 0.04 0.05 -0.04 1.64 1.52 3hy1B1 LEU 240 HB3 -0.11 -0.07 0.19 -0.04 1.64 1.61 3hy1B1 LEU 240 HG -0.11 -0.03 -0.19 -0.04 1.64 1.27 3hy1B1 LEU 240 HD13 -0.14 0.03 0.02 -0.04 0.93 0.80 3hy1B1 LEU 240 HD23 -0.09 0.01 -0.02 -0.04 0.89 0.74 3hy1B1 GLU 241 H -0.06 0.11 0.05 -0.55 8.60 8.14 3hy1B1 GLU 241 HA -0.05 0.08 0.49 -0.75 4.29 4.06 3hy1B1 GLU 241 HB2 -0.05 0.02 0.08 -0.04 2.09 2.10 3hy1B1 GLU 241 HB3 0.01 0.08 0.06 -0.04 1.99 2.10 3hy1B1 GLU 241 HG2 -0.18 0.10 0.03 -0.04 2.34 2.25 3hy1B1 GLU 241 HG3 -0.04 0.00 0.04 -0.04 2.34 2.31 3hy1B1 ARG 242 H -0.08 0.03 -0.25 -0.55 8.46 7.60 3hy1B1 ARG 242 HA -0.05 0.10 0.39 -0.75 4.34 4.02 3hy1B1 ARG 242 HB2 -0.11 0.07 0.17 -0.04 1.90 1.99 3hy1B1 ARG 242 HB3 -0.08 0.16 0.04 -0.04 1.80 1.88 3hy1B1 ARG 242 HG2 -0.08 -0.16 0.07 -0.04 1.67 1.46 3hy1B1 ARG 242 HG3 -0.10 0.01 0.09 -0.04 1.67 1.63 3hy1B1 ARG 242 HD2 -0.06 0.12 0.04 -0.04 3.22 3.28 3hy1B1 ARG 242 HD3 -0.06 -0.04 0.03 -0.04 3.22 3.11 3hy1B1 ILE 243 H -0.17 0.38 -0.13 -0.55 8.25 7.79 3hy1B1 ILE 243 HA -0.22 0.11 0.44 -0.75 4.18 3.75 3hy1B1 ILE 243 HB -0.25 0.07 0.12 -0.04 1.89 1.80 3hy1B1 ILE 243 HG12 -0.46 0.01 -0.01 -0.04 1.49 0.99 3hy1B1 ILE 243 HG13 -0.56 -0.04 0.00 -0.04 1.21 0.57 3hy1B1 ILE 243 HG23 -0.32 0.01 -0.02 -0.04 0.93 0.56 3hy1B1 ILE 243 HD13 -0.20 0.01 0.03 -0.04 0.88 0.69 3hy1B1 ALA 244 H -0.16 0.35 -0.28 -0.55 8.40 7.76 3hy1B1 ALA 244 HA -0.19 0.07 0.47 -0.75 4.34 3.93 3hy1B1 ALA 244 HB3 -0.09 -0.00 0.13 -0.04 1.41 1.40 3hy1B1 ALA 245 H -0.08 0.47 -0.25 -0.55 8.40 7.99 3hy1B1 ALA 245 HA -0.03 -0.03 0.34 -0.75 4.34 3.87 3hy1B1 ALA 245 HB3 -0.00 0.06 -0.12 -0.04 1.41 1.30 3hy1B1 VAL 246 H -0.15 0.22 -0.34 -0.55 8.24 7.42 3hy1B1 VAL 246 HA -0.11 0.14 0.53 -0.75 4.13 3.93 3hy1B1 VAL 246 HB -0.32 0.05 0.17 -0.04 2.12 1.98 3hy1B1 VAL 246 HG13 -0.80 -0.01 -0.12 -0.04 0.97 -0.00 3hy1B1 VAL 246 HG23 -0.18 0.05 -0.01 -0.04 0.95 0.76 3hy1B1 LEU 247 H -0.26 0.50 -0.04 -0.55 8.37 8.03 3hy1B1 LEU 247 HA -0.33 0.10 0.48 -0.75 4.35 3.84 3hy1B1 LEU 247 HB2 -0.26 0.02 0.15 -0.04 1.64 1.51 3hy1B1 LEU 247 HB3 -0.20 -0.09 0.12 -0.04 1.64 1.43 3hy1B1 LEU 247 HG -0.41 0.11 0.08 -0.04 1.64 1.37 3hy1B1 LEU 247 HD13 -0.82 -0.04 -0.03 -0.04 0.93 0.01 3hy1B1 LEU 247 HD23 -0.18 0.01 0.03 -0.04 0.89 0.70 3hy1B1 GLN 248 H -0.15 0.27 -0.42 -0.55 8.47 7.62 3hy1B1 GLN 248 HA 0.00 0.17 0.82 -0.75 4.36 4.60 3hy1B1 GLN 248 HB2 -0.03 0.04 0.07 -0.04 2.15 2.19 3hy1B1 GLN 248 HB3 0.01 -0.05 0.14 -0.04 2.02 2.08 3hy1B1 GLN 248 HG2 -0.02 0.07 -0.08 -0.04 2.40 2.33 3hy1B1 GLN 248 HG3 -0.07 0.05 -0.06 -0.04 2.39 2.26 3hy1B1 GLN 248 HE21 -0.03 -0.38 0.11 -0.04 6.97 6.63 3hy1B1 GLN 248 HE22 -0.05 0.38 0.07 -0.04 7.69 8.04 3hy1B1 HIS 249 H -0.23 0.23 -0.46 -0.55 8.41 7.40 3hy1B1 HIS 249 HA 0.05 0.09 0.30 -0.75 4.63 4.32 3hy1B1 HIS 249 HB2 0.01 0.15 -0.17 -0.04 3.26 3.22 3hy1B1 HIS 249 HB3 0.03 -0.08 0.18 -0.04 3.20 3.29 3hy1B1 HIS 249 HD2 -0.00 0.02 -0.19 -0.04 6.97 6.75 3hy1B1 HIS 249 HE1 0.05 -0.04 0.02 -0.04 7.75 7.73 3hy1B1 VAL 250 H 0.03 0.38 -0.09 -0.55 8.24 8.01 3hy1B1 VAL 250 HA 0.04 0.17 0.94 -0.75 4.13 4.54 3hy1B1 VAL 250 HB 0.03 -0.23 0.09 -0.04 2.12 1.97 3hy1B1 VAL 250 HG13 0.04 0.11 -0.10 -0.04 0.97 0.98 3hy1B1 VAL 250 HG23 0.02 -0.01 -0.25 -0.04 0.95 0.67 3hy1B1 ASN 251 H -0.00 0.05 0.14 -0.55 8.53 8.17 3hy1B1 ASN 251 HA -0.08 0.23 0.59 -0.75 4.76 4.74 3hy1B1 ASN 251 HB2 -0.04 -0.08 0.10 -0.04 2.88 2.83 3hy1B1 ASN 251 HB3 -0.09 -0.00 -0.00 -0.04 2.79 2.65 3hy1B1 ASN 251 HD21 -0.06 0.04 -0.00 -0.04 7.03 6.97 3hy1B1 ASN 251 HD22 -0.05 -0.04 0.02 -0.04 7.74 7.63 3hy1B1 SER 252 H 0.01 0.04 0.07 -0.55 8.46 8.04 3hy1B1 SER 252 HA 0.02 0.22 0.80 -0.75 4.49 4.78 3hy1B1 SER 252 HB2 0.03 0.08 0.03 -0.04 3.95 4.05 3hy1B1 SER 252 HB3 0.05 0.01 0.04 -0.04 3.93 3.99 3hy1B1 ASN 253 H -0.02 0.67 0.29 -0.55 8.53 8.93 3hy1B1 ASN 253 HA -0.01 0.14 0.50 -0.75 4.76 4.63 3hy1B1 ASN 253 HB2 -0.25 0.08 0.06 -0.04 2.88 2.73 3hy1B1 ASN 253 HB3 0.00 -0.13 0.01 -0.04 2.79 2.63 3hy1B1 ASN 253 HD21 -0.02 -0.00 -0.02 -0.04 7.03 6.95 3hy1B1 ASN 253 HD22 0.27 -0.03 -0.09 -0.04 7.74 7.86 3hy1B1 TYR 254 H 0.06 0.11 -0.27 -0.55 8.29 7.64 3hy1B1 TYR 254 HA -0.29 0.08 0.52 -0.75 4.56 4.12 3hy1B1 TYR 254 HB2 -0.13 0.03 -0.01 -0.04 3.06 2.90 3hy1B1 TYR 254 HB3 -0.16 0.05 0.09 -0.04 2.98 2.92 3hy1B1 TYR 254 HD2 -0.43 -0.02 0.01 -0.04 7.15 6.68 3hy1B1 TYR 254 HE2 -0.29 0.06 -0.02 -0.04 6.85 6.56 3hy1B1 ASP 255 H 0.06 0.38 -0.73 -0.55 8.40 7.56 3hy1B1 ASP 255 HA 0.09 0.20 0.78 -0.75 4.63 4.94 3hy1B1 ASP 255 HB2 0.04 0.12 0.06 -0.04 2.71 2.89 3hy1B1 ASP 255 HB3 0.04 0.05 0.15 -0.04 2.70 2.90 3hy1B1 ILE 256 H 0.13 0.18 -0.28 -0.55 8.25 7.73 3hy1B1 ILE 256 HA 0.04 0.29 0.72 -0.75 4.18 4.47 3hy1B1 ILE 256 HB 0.02 -0.06 0.07 -0.04 1.89 1.87 3hy1B1 ILE 256 HG12 0.27 0.26 0.14 -0.04 1.49 2.13 3hy1B1 ILE 256 HG13 0.09 -0.36 -0.17 -0.04 1.21 0.72 3hy1B1 ILE 256 HG23 0.02 0.06 -0.10 -0.04 0.93 0.87 3hy1B1 ILE 256 HD13 0.06 0.01 0.06 -0.04 0.88 0.97 3hy1B1 ASP 257 H 0.01 0.25 0.13 -0.55 8.40 8.25 3hy1B1 ASP 257 HA 0.02 0.12 0.28 -0.75 4.63 4.31 3hy1B1 ASP 257 HB2 -0.00 0.06 0.06 -0.04 2.71 2.79 3hy1B1 ASP 257 HB3 0.00 0.15 0.15 -0.04 2.70 2.96 3hy1B1 LEU 258 H -0.02 0.01 -0.24 -0.55 8.37 7.58 3hy1B1 LEU 258 HA -0.08 0.11 0.36 -0.75 4.35 3.98 3hy1B1 LEU 258 HB2 -0.10 -0.07 0.10 -0.04 1.64 1.52 3hy1B1 LEU 258 HB3 -0.15 -0.04 0.05 -0.04 1.64 1.46 3hy1B1 LEU 258 HG -0.21 0.07 -0.06 -0.04 1.64 1.40 3hy1B1 LEU 258 HD13 -0.15 -0.01 -0.05 -0.04 0.93 0.68 3hy1B1 LEU 258 HD23 -0.80 0.00 -0.27 -0.04 0.89 -0.22 3hy1B1 PHE 259 H 0.14 0.16 -0.17 -0.55 8.34 7.92 3hy1B1 PHE 259 HA 0.05 0.06 0.47 -0.75 4.62 4.44 3hy1B1 PHE 259 HB2 0.04 -0.00 0.08 -0.04 3.15 3.23 3hy1B1 PHE 259 HB3 0.15 0.11 -0.00 -0.04 3.06 3.28 3hy1B1 PHE 259 HD2 0.05 0.06 0.00 -0.04 7.28 7.35 3hy1B1 PHE 259 HE2 -0.04 -0.01 -0.19 -0.04 7.38 7.09 3hy1B1 PHE 259 HZ -0.00 0.01 -0.04 -0.04 7.32 7.25 3hy1B1 ARG 260 H 0.15 0.60 -0.13 -0.55 8.46 8.53 3hy1B1 ARG 260 HA 0.11 0.07 0.37 -0.75 4.34 4.13 3hy1B1 ARG 260 HB2 0.05 0.01 -0.04 -0.04 1.90 1.88 3hy1B1 ARG 260 HB3 0.05 -0.01 -0.04 -0.04 1.80 1.76 3hy1B1 ARG 260 HG2 0.09 0.04 -0.07 -0.04 1.67 1.69 3hy1B1 ARG 260 HG3 0.08 0.09 -0.66 -0.04 1.67 1.14 3hy1B1 ARG 260 HD2 0.05 0.27 -0.12 -0.04 3.22 3.37 3hy1B1 ARG 260 HD3 0.04 -0.04 -0.13 -0.04 3.22 3.04 3hy1B1 THR 261 H 0.04 0.53 -0.23 -0.55 8.28 8.07 3hy1B1 THR 261 HA 0.02 0.04 0.46 -0.75 4.39 4.15 3hy1B1 THR 261 HB -0.01 0.12 0.09 -0.04 4.32 4.48 3hy1B1 THR 261 HG23 -0.01 -0.02 -0.07 -0.04 1.22 1.08 3hy1B1 LEU 262 H 0.03 0.34 -0.17 -0.55 8.37 8.02 3hy1B1 LEU 262 HA 0.01 0.02 0.38 -0.75 4.35 4.00 3hy1B1 LEU 262 HB2 -0.08 0.17 0.17 -0.04 1.64 1.85 3hy1B1 LEU 262 HB3 0.08 0.00 0.14 -0.04 1.64 1.82 3hy1B1 LEU 262 HG 0.06 -0.04 -0.03 -0.04 1.64 1.59 3hy1B1 LEU 262 HD13 -0.04 0.00 -0.06 -0.04 0.93 0.79 3hy1B1 LEU 262 HD23 -0.11 -0.01 -0.01 -0.04 0.89 0.71 3hy1B1 ILE 263 H 0.13 0.99 -0.04 -0.55 8.25 8.79 3hy1B1 ILE 263 HA 0.11 0.02 0.46 -0.75 4.18 4.00 3hy1B1 ILE 263 HB 0.10 0.13 0.12 -0.04 1.89 2.19 3hy1B1 ILE 263 HG12 0.13 -0.07 -0.15 -0.04 1.49 1.36 3hy1B1 ILE 263 HG13 0.28 0.05 -0.01 -0.04 1.21 1.49 3hy1B1 ILE 263 HG23 0.04 -0.01 -0.16 -0.04 0.93 0.76 3hy1B1 ILE 263 HD13 0.12 0.01 -0.07 -0.04 0.88 0.90 3hy1B1 GLN 264 H 0.05 0.53 -0.16 -0.55 8.47 8.34 3hy1B1 GLN 264 HA 0.02 0.00 0.45 -0.75 4.36 4.08 3hy1B1 GLN 264 HB2 0.02 0.16 0.16 -0.04 2.15 2.45 3hy1B1 GLN 264 HB3 0.01 -0.05 0.03 -0.04 2.02 1.97 3hy1B1 GLN 264 HG2 0.02 -0.07 0.04 -0.04 2.40 2.35 3hy1B1 GLN 264 HG3 0.03 0.19 0.12 -0.04 2.39 2.69 3hy1B1 GLN 264 HE21 0.02 -0.04 -0.06 -0.04 6.97 6.84 3hy1B1 GLN 264 HE22 0.02 0.00 -0.04 -0.04 7.69 7.63 3hy1B1 ALA 265 H 0.03 0.41 -0.34 -0.55 8.40 7.95 3hy1B1 ALA 265 HA 0.01 0.03 0.50 -0.75 4.34 4.12 3hy1B1 ALA 265 HB3 0.00 0.05 0.09 -0.04 1.41 1.51 3hy1B1 VAL 266 H 0.05 0.38 -0.31 -0.55 8.24 7.82 3hy1B1 VAL 266 HA 0.09 0.03 0.48 -0.75 4.13 3.97 3hy1B1 VAL 266 HB 0.06 0.19 0.17 -0.04 2.12 2.50 3hy1B1 VAL 266 HG13 0.09 -0.03 -0.09 -0.04 0.97 0.90 3hy1B1 VAL 266 HG23 0.12 0.10 -0.01 -0.04 0.95 1.12 3hy1B1 ALA 267 H 0.02 0.46 -0.18 -0.55 8.40 8.15 3hy1B1 ALA 267 HA -0.02 -0.06 0.37 -0.75 4.34 3.87 3hy1B1 ALA 267 HB3 -0.00 0.07 0.02 -0.04 1.41 1.46 3hy1B1 LYS 268 H 0.01 0.30 -0.43 -0.55 8.42 7.75 3hy1B1 LYS 268 HA -0.01 0.08 0.50 -0.75 4.32 4.14 3hy1B1 LYS 268 HB2 0.00 0.13 0.16 -0.04 1.87 2.12 3hy1B1 LYS 268 HB3 -0.00 -0.03 -0.01 -0.04 1.79 1.70 3hy1B1 LYS 268 HG2 -0.00 -0.03 0.02 -0.04 1.46 1.41 3hy1B1 LYS 268 HG3 0.00 0.22 0.06 -0.04 1.46 1.69 3hy1B1 LYS 268 HD2 -0.00 -0.03 -0.02 -0.04 1.69 1.59 3hy1B1 LYS 268 HD3 -0.00 -0.01 0.00 -0.04 1.68 1.63 3hy1B1 LYS 268 HE2 -0.01 0.02 -0.02 -0.04 2.99 2.94 3hy1B1 LYS 268 HE3 -0.01 -0.01 0.00 -0.04 2.99 2.94 3hy1B1 VAL 269 H 0.02 0.36 -0.11 -0.55 8.24 7.96 3hy1B1 VAL 269 HA 0.01 0.09 0.39 -0.75 4.13 3.87 3hy1B1 VAL 269 HB 0.16 -0.07 0.08 -0.04 2.12 2.24 3hy1B1 VAL 269 HG13 -0.00 0.00 0.00 -0.04 0.97 0.94 3hy1B1 VAL 269 HG23 0.16 0.05 -0.01 -0.04 0.95 1.11 3hy1B1 THR 270 H -0.06 0.22 -0.41 -0.55 8.28 7.48 3hy1B1 THR 270 HA -0.27 0.09 0.79 -0.75 4.39 4.25 3hy1B1 THR 270 HB -0.23 -0.03 -0.08 -0.04 4.32 3.94 3hy1B1 THR 270 HG23 -0.52 -0.02 -0.07 -0.04 1.22 0.57 3hy1B1 GLY 271 H -0.05 0.22 -0.26 -0.55 8.43 7.79 3hy1B1 GLY 271 HA2 -0.03 0.05 0.33 -0.51 4.01 3.86 3hy1B1 GLY 271 HA3 -0.04 0.04 0.51 -0.51 4.01 4.02 3hy1B1 ALA 272 H -0.04 0.22 0.12 -0.55 8.40 8.15 3hy1B1 ALA 272 HA -0.04 0.28 0.72 -0.75 4.34 4.54 3hy1B1 ALA 272 HB3 -0.04 -0.05 -0.02 -0.04 1.41 1.26 3hy1B1 THR 273 H -0.03 -0.01 0.17 -0.55 8.28 7.86 3hy1B1 THR 273 HA -0.02 0.28 0.97 -0.75 4.39 4.87 3hy1B1 THR 273 HB -0.02 -0.03 -0.01 -0.04 4.32 4.22 3hy1B1 THR 273 HG23 -0.02 0.04 -0.12 -0.04 1.22 1.08 3hy1B1 ASP 274 H -0.02 0.06 0.14 -0.55 8.40 8.03 3hy1B1 ASP 274 HA -0.02 0.18 0.71 -0.75 4.63 4.75 3hy1B1 ASP 274 HB2 -0.02 0.09 0.17 -0.04 2.71 2.91 3hy1B1 ASP 274 HB3 -0.03 -0.08 0.29 -0.04 2.70 2.84 3hy1B1 LEU 275 H -0.01 0.38 0.17 -0.55 8.37 8.36 3hy1B1 LEU 275 HA -0.01 0.07 0.24 -0.75 4.35 3.90 3hy1B1 LEU 275 HB2 -0.00 -0.01 0.08 -0.04 1.64 1.66 3hy1B1 LEU 275 HB3 0.00 0.02 0.03 -0.04 1.64 1.65 3hy1B1 LEU 275 HG 0.00 0.03 0.02 -0.04 1.64 1.65 3hy1B1 LEU 275 HD13 0.01 0.01 -0.05 -0.04 0.93 0.85 3hy1B1 LEU 275 HD23 -0.01 0.07 -0.20 -0.04 0.89 0.72 3hy1B1 SER 276 H -0.02 -0.08 -0.62 -0.55 8.46 7.20 3hy1B1 SER 276 HA -0.03 0.14 0.59 -0.75 4.49 4.43 3hy1B1 SER 276 HB2 -0.03 0.02 -0.02 -0.04 3.95 3.88 3hy1B1 SER 276 HB3 -0.02 0.02 0.03 -0.04 3.93 3.91 3hy1B1 ASN 277 H -0.04 0.62 -0.10 -0.55 8.53 8.47 3hy1B1 ASN 277 HA -0.06 0.02 0.27 -0.75 4.76 4.23 3hy1B1 ASN 277 HB2 -0.04 0.00 0.21 -0.04 2.88 3.02 3hy1B1 ASN 277 HB3 -0.04 -0.03 0.09 -0.04 2.79 2.78 3hy1B1 ASN 277 HD21 -0.03 0.08 0.04 -0.04 7.03 7.08 3hy1B1 ASN 277 HD22 -0.03 -0.00 0.08 -0.04 7.74 7.74 3hy1B1 LYS 278 H -0.10 0.17 0.21 -0.55 8.42 8.14 3hy1B1 LYS 278 HA -0.21 0.13 0.43 -0.75 4.32 3.92 3hy1B1 LYS 278 HB2 -0.34 0.08 0.14 -0.04 1.87 1.71 3hy1B1 LYS 278 HB3 -0.22 0.09 0.18 -0.04 1.79 1.80 3hy1B1 LYS 278 HG2 -0.11 -0.04 0.13 -0.04 1.46 1.40 3hy1B1 LYS 278 HG3 -0.11 -0.03 -0.07 -0.04 1.46 1.21 3hy1B1 LYS 278 HD2 -0.54 0.03 -0.05 -0.04 1.69 1.09 3hy1B1 LYS 278 HD3 -0.31 0.05 0.02 -0.04 1.68 1.39 3hy1B1 LYS 278 HE2 -0.04 -0.00 0.02 -0.04 2.99 2.93 3hy1B1 LYS 278 HE3 0.02 -0.03 -0.02 -0.04 2.99 2.92 3hy1B1 SER 279 H -0.05 0.12 -0.11 -0.55 8.46 7.87 3hy1B1 SER 279 HA -0.11 0.06 0.39 -0.75 4.49 4.08 3hy1B1 SER 279 HB2 0.01 -0.00 0.00 -0.04 3.95 3.92 3hy1B1 SER 279 HB3 0.10 0.07 -0.05 -0.04 3.93 4.01 3hy1B1 LEU 280 H -0.07 0.28 -0.46 -0.55 8.37 7.57 3hy1B1 LEU 280 HA -0.01 0.04 0.36 -0.75 4.35 3.99 3hy1B1 LEU 280 HB2 -0.05 0.28 0.02 -0.04 1.64 1.85 3hy1B1 LEU 280 HB3 0.00 -0.01 -0.04 -0.04 1.64 1.55 3hy1B1 LEU 280 HG -0.03 -0.10 -0.07 -0.04 1.64 1.40 3hy1B1 LEU 280 HD13 -0.02 0.02 -0.16 -0.04 0.93 0.73 3hy1B1 LEU 280 HD23 -0.01 -0.01 -0.17 -0.04 0.89 0.66 3hy1B1 ARG 281 H -0.16 0.33 -0.14 -0.55 8.46 7.93 3hy1B1 ARG 281 HA -0.06 0.03 0.47 -0.75 4.34 4.03 3hy1B1 ARG 281 HB2 -0.44 0.17 0.19 -0.04 1.90 1.78 3hy1B1 ARG 281 HB3 -1.03 -0.09 0.03 -0.04 1.80 0.67 3hy1B1 ARG 281 HG2 -0.31 -0.05 0.02 -0.04 1.67 1.29 3hy1B1 ARG 281 HG3 -0.20 0.09 -0.00 -0.04 1.67 1.52 3hy1B1 ARG 281 HD2 -0.84 -0.09 -0.00 -0.04 3.22 2.24 3hy1B1 ARG 281 HD3 -0.23 0.01 -0.03 -0.04 3.22 2.92 3hy1B1 VAL 282 H -0.26 0.55 -0.12 -0.55 8.24 7.86 3hy1B1 VAL 282 HA -0.24 -0.00 0.38 -0.75 4.13 3.51 3hy1B1 VAL 282 HB -0.64 0.09 0.16 -0.04 2.12 1.69 3hy1B1 VAL 282 HG13 -0.95 -0.01 -0.13 -0.04 0.97 -0.16 3hy1B1 VAL 282 HG23 -0.39 0.09 -0.04 -0.04 0.95 0.56 3hy1B1 ILE 283 H -0.13 0.64 -0.10 -0.55 8.25 8.11 3hy1B1 ILE 283 HA 0.06 -0.02 0.44 -0.75 4.18 3.90 3hy1B1 ILE 283 HB 0.12 0.12 0.08 -0.04 1.89 2.17 3hy1B1 ILE 283 HG12 0.10 -0.02 0.08 -0.04 1.49 1.61 3hy1B1 ILE 283 HG13 -0.04 0.22 0.11 -0.04 1.21 1.47 3hy1B1 ILE 283 HG23 0.44 -0.02 -0.07 -0.04 0.93 1.23 3hy1B1 ILE 283 HD13 0.15 -0.03 -0.19 -0.04 0.88 0.77 3hy1B1 ALA 284 H 0.10 0.50 -0.28 -0.55 8.40 8.18 3hy1B1 ALA 284 HA 0.20 0.04 0.40 -0.75 4.34 4.23 3hy1B1 ALA 284 HB3 0.35 0.03 0.06 -0.04 1.41 1.80 3hy1B1 ASP 285 H 0.28 0.62 -0.17 -0.55 8.40 8.57 3hy1B1 ASP 285 HA 0.52 0.03 0.57 -0.75 4.63 5.00 3hy1B1 ASP 285 HB2 0.49 0.04 0.15 -0.04 2.71 3.34 3hy1B1 ASP 285 HB3 0.36 0.21 0.22 -0.04 2.70 3.46 3hy1B1 HIS 286 H 0.37 0.63 -0.06 -0.55 8.41 8.80 3hy1B1 HIS 286 HA 0.16 -0.09 0.34 -0.75 4.63 4.29 3hy1B1 HIS 286 HB2 0.15 0.10 0.15 -0.04 3.26 3.62 3hy1B1 HIS 286 HB3 0.13 -0.02 0.02 -0.04 3.20 3.30 3hy1B1 HIS 286 HD2 -0.03 0.15 0.03 -0.04 6.97 7.08 3hy1B1 HIS 286 HE1 0.05 0.01 0.02 -0.04 7.75 7.78 3hy1B1 ILE 287 H 0.28 0.50 -0.32 -0.55 8.25 8.16 3hy1B1 ILE 287 HA -0.04 0.03 0.51 -0.75 4.18 3.92 3hy1B1 ILE 287 HB -0.06 0.09 0.07 -0.04 1.89 1.95 3hy1B1 ILE 287 HG12 -0.26 0.06 -0.16 -0.04 1.49 1.09 3hy1B1 ILE 287 HG13 -0.25 -0.07 -0.14 -0.04 1.21 0.72 3hy1B1 ILE 287 HG23 0.02 0.05 -0.03 -0.04 0.93 0.93 3hy1B1 ILE 287 HD13 -0.90 -0.01 -0.00 -0.04 0.88 -0.08 3hy1B1 ARG 288 H 0.08 0.35 -0.29 -0.55 8.46 8.04 3hy1B1 ARG 288 HA -0.15 0.07 0.44 -0.75 4.34 3.94 3hy1B1 ARG 288 HB2 -0.02 0.05 0.18 -0.04 1.90 2.07 3hy1B1 ARG 288 HB3 -0.91 -0.06 -0.00 -0.04 1.80 0.79 3hy1B1 ARG 288 HG2 -0.10 -0.02 0.02 -0.04 1.67 1.53 3hy1B1 ARG 288 HG3 0.10 0.23 0.19 -0.04 1.67 2.15 3hy1B1 ARG 288 HD2 -0.26 -0.05 -0.04 -0.04 3.22 2.83 3hy1B1 ARG 288 HD3 -0.31 0.01 -0.04 -0.04 3.22 2.85 3hy1B1 SER 289 H 0.10 0.36 -0.02 -0.55 8.46 8.35 3hy1B1 SER 289 HA 0.18 0.04 0.35 -0.75 4.49 4.31 3hy1B1 SER 289 HB2 0.03 0.10 0.10 -0.04 3.95 4.13 3hy1B1 SER 289 HB3 0.01 -0.01 -0.03 -0.04 3.93 3.86 3hy1B1 CYS 290 H 0.08 0.55 -0.14 -0.55 8.50 8.44 3hy1B1 CYS 290 HA 0.02 -0.01 0.29 -0.75 4.58 4.13 3hy1B1 CYS 290 HB2 0.16 0.08 0.11 -0.04 2.97 3.27 3hy1B1 CYS 290 HB3 0.14 -0.03 -0.00 -0.04 2.97 3.03 3hy1B1 ALA 291 H -0.07 0.52 -0.23 -0.55 8.40 8.07 3hy1B1 ALA 291 HA -0.13 0.03 0.41 -0.75 4.34 3.89 3hy1B1 ALA 291 HB3 -0.28 0.01 0.10 -0.04 1.41 1.20 3hy1B1 PHE 292 H 0.03 0.58 -0.11 -0.55 8.34 8.29 3hy1B1 PHE 292 HA -0.05 0.03 0.45 -0.75 4.62 4.29 3hy1B1 PHE 292 HB2 -0.09 0.21 0.11 -0.04 3.15 3.35 3hy1B1 PHE 292 HB3 0.10 -0.06 -0.06 -0.04 3.06 3.00 3hy1B1 PHE 292 HD2 -0.34 0.13 0.04 -0.04 7.28 7.07 3hy1B1 PHE 292 HE2 -0.21 0.02 0.02 -0.04 7.38 7.17 3hy1B1 PHE 292 HZ -0.08 -0.02 -0.07 -0.04 7.32 7.11 3hy1B1 LEU 293 H 0.06 0.64 -0.15 -0.55 8.37 8.37 3hy1B1 LEU 293 HA 0.02 -0.04 0.41 -0.75 4.35 3.98 3hy1B1 LEU 293 HB2 -0.03 0.14 0.13 -0.04 1.64 1.84 3hy1B1 LEU 293 HB3 -0.04 -0.04 -0.09 -0.04 1.64 1.43 3hy1B1 LEU 293 HG -0.15 0.09 0.01 -0.04 1.64 1.55 3hy1B1 LEU 293 HD13 -0.34 -0.04 -0.18 -0.04 0.93 0.33 3hy1B1 LEU 293 HD23 -0.51 -0.03 -0.07 -0.04 0.89 0.24 3hy1B1 ILE 294 H -0.00 0.55 -0.10 -0.55 8.25 8.15 3hy1B1 ILE 294 HA 0.02 0.29 0.49 -0.75 4.18 4.23 3hy1B1 ILE 294 HB -0.04 0.07 0.18 -0.04 1.89 2.06 3hy1B1 ILE 294 HG12 0.01 0.07 0.10 -0.04 1.49 1.64 3hy1B1 ILE 294 HG13 0.01 0.06 0.15 -0.04 1.21 1.39 3hy1B1 ILE 294 HG23 -0.01 -0.02 -0.08 -0.04 0.93 0.79 3hy1B1 ILE 294 HD13 0.00 -0.05 -0.02 -0.04 0.88 0.78 3hy1B1 ALA 295 H -0.04 0.49 -0.17 -0.55 8.40 8.14 3hy1B1 ALA 295 HA -0.03 0.00 0.43 -0.75 4.34 3.99 3hy1B1 ALA 295 HB3 -0.08 0.04 0.07 -0.04 1.41 1.40 3hy1B1 ASP 296 H 0.05 0.32 -0.59 -0.55 8.40 7.63 3hy1B1 ASP 296 HA 0.07 0.11 0.67 -0.75 4.63 4.72 3hy1B1 ASP 296 HB2 0.08 0.15 0.20 -0.04 2.71 3.09 3hy1B1 ASP 296 HB3 0.08 -0.17 0.21 -0.04 2.70 2.78 3hy1B1 GLY 297 H 0.04 0.50 -0.35 -0.55 8.43 8.08 3hy1B1 GLY 297 HA2 0.04 0.03 0.22 -0.51 4.01 3.79 3hy1B1 GLY 297 HA3 0.07 0.11 0.68 -0.51 4.01 4.35 3hy1B1 VAL 298 H 0.07 0.46 0.01 -0.55 8.24 8.23 3hy1B1 VAL 298 HA 0.09 0.06 0.63 -0.75 4.13 4.17 3hy1B1 VAL 298 HB 0.08 -0.05 -0.18 -0.04 2.12 1.92 3hy1B1 VAL 298 HG13 0.18 -0.02 -0.31 -0.04 0.97 0.78 3hy1B1 VAL 298 HG23 0.19 0.02 -0.12 -0.04 0.95 1.00 3hy1B1 MET 299 H 0.06 0.17 0.16 -0.55 8.47 8.31 3hy1B1 MET 299 HA 0.04 0.20 0.86 -0.75 4.52 4.86 3hy1B1 MET 299 HB2 0.04 -0.05 0.09 -0.04 2.15 2.19 3hy1B1 MET 299 HB3 0.03 0.08 -0.00 -0.04 2.03 2.10 3hy1B1 MET 299 HG2 0.03 0.06 -0.22 -0.04 2.63 2.46 3hy1B1 MET 299 HG3 0.03 -0.02 -0.02 -0.04 2.56 2.50 3hy1B1 MET 299 HE3 0.01 -0.01 0.02 -0.04 2.10 2.09 3hy1B1 PRO 300 HA 0.05 0.14 0.52 -0.51 4.44 4.64 3hy1B1 PRO 300 HB2 0.03 0.02 0.07 -0.04 2.28 2.36 3hy1B1 PRO 300 HB3 0.01 0.01 0.08 -0.04 2.02 2.07 3hy1B1 PRO 300 HG2 0.02 0.06 0.05 -0.04 2.03 2.12 3hy1B1 PRO 300 HG3 0.02 0.01 0.01 -0.04 2.03 2.04 3hy1B1 PRO 300 HD2 0.03 0.09 0.20 -0.04 3.68 3.95 3hy1B1 PRO 300 HD3 0.03 0.22 0.23 -0.04 3.65 4.09 3hy1B1 SER 301 H 0.10 0.47 0.08 -0.55 8.46 8.56 3hy1B1 SER 301 HA 0.08 0.18 0.51 -0.75 4.49 4.51 3hy1B1 SER 301 HB2 0.07 -0.11 0.17 -0.04 3.95 4.04 3hy1B1 SER 301 HB3 0.06 0.21 -0.16 -0.04 3.93 4.01 3hy1B1 ASN 302 H 0.08 0.20 0.10 -0.55 8.53 8.36 3hy1B1 ASN 302 HA 0.30 0.20 0.78 -0.75 4.76 5.29 3hy1B1 ASN 302 HB2 0.04 0.01 0.06 -0.04 2.88 2.95 3hy1B1 ASN 302 HB3 -0.02 0.02 0.15 -0.04 2.79 2.89 3hy1B1 ASN 302 HD21 0.04 0.07 -0.04 -0.04 7.03 7.05 3hy1B1 ASN 302 HD22 0.03 -0.00 -0.01 -0.04 7.74 7.72 3hy1B1 GLU 303 H 0.09 0.07 -0.23 -0.55 8.60 7.98 3hy1B1 GLU 303 HA -0.00 0.23 0.90 -0.75 4.29 4.66 3hy1B1 GLU 303 HB2 0.05 -0.03 0.09 -0.04 2.09 2.15 3hy1B1 GLU 303 HB3 0.03 0.03 -0.03 -0.04 1.99 1.98 3hy1B1 GLU 303 HG2 0.02 0.05 -0.01 -0.04 2.34 2.36 3hy1B1 GLU 303 HG3 0.01 0.08 -0.04 -0.04 2.34 2.35 3hy1B1 ASN 304 H 0.03 0.22 0.08 -0.55 8.53 8.32 3hy1B1 ASN 304 HA 0.03 0.11 0.33 -0.75 4.76 4.48 3hy1B1 ASN 304 HB2 0.02 0.08 -0.08 -0.04 2.88 2.86 3hy1B1 ASN 304 HB3 0.04 0.07 -0.40 -0.04 2.79 2.46 3hy1B1 ASN 304 HD21 -0.03 0.18 0.06 -0.04 7.03 7.20 3hy1B1 ASN 304 HD22 0.01 0.04 0.04 -0.04 7.74 7.79 3hy1B1 ARG 305 H 0.02 0.21 0.14 -0.55 8.46 8.28 3hy1B1 ARG 305 HA 0.02 0.04 0.43 -0.75 4.34 4.08 3hy1B1 ARG 305 HB2 0.05 0.01 0.15 -0.04 1.90 2.07 3hy1B1 ARG 305 HB3 0.21 0.02 -0.06 -0.04 1.80 1.93 3hy1B1 ARG 305 HG2 -0.77 0.03 0.04 -0.04 1.67 0.94 3hy1B1 ARG 305 HG3 -0.23 -0.08 0.09 -0.04 1.67 1.41 3hy1B1 ARG 305 HD2 -0.02 -0.06 0.06 -0.04 3.22 3.17 3hy1B1 ARG 305 HD3 0.05 -0.04 0.03 -0.04 3.22 3.23 3hy1B1 GLY 306 H 0.11 0.22 -0.01 -0.55 8.43 8.21 3hy1B1 GLY 306 HA2 0.12 0.08 0.27 -0.51 4.01 3.97 3hy1B1 GLY 306 HA3 0.11 0.15 0.33 -0.51 4.01 4.09 3hy1B1 TYR 307 H 0.22 0.35 -0.77 -0.55 8.29 7.54 3hy1B1 TYR 307 HA 0.04 0.32 0.60 -0.75 4.56 4.78 3hy1B1 TYR 307 HB2 0.06 -0.12 -0.57 -0.04 3.06 2.39 3hy1B1 TYR 307 HB3 0.06 0.09 -0.16 -0.04 2.98 2.93 3hy1B1 TYR 307 HD2 0.06 0.10 0.00 -0.04 7.15 7.26 3hy1B1 TYR 307 HE2 0.08 -0.01 -0.04 -0.04 6.85 6.85 3hy1B1 VAL 308 H 0.19 0.38 -0.05 -0.55 8.24 8.21 3hy1B1 VAL 308 HA 0.03 -0.00 0.40 -0.75 4.13 3.81 3hy1B1 VAL 308 HB 0.35 0.15 0.10 -0.04 2.12 2.67 3hy1B1 VAL 308 HG13 0.25 -0.02 -0.10 -0.04 0.97 1.06 3hy1B1 VAL 308 HG23 0.14 0.04 0.03 -0.04 0.95 1.12 3hy1B1 LEU 309 H 0.13 0.49 -0.35 -0.55 8.37 8.09 3hy1B1 LEU 309 HA 0.00 -0.01 0.37 -0.75 4.35 3.95 3hy1B1 LEU 309 HB2 0.08 0.02 -0.06 -0.04 1.64 1.65 3hy1B1 LEU 309 HB3 0.06 0.13 -0.01 -0.04 1.64 1.79 3hy1B1 LEU 309 HG 0.02 -0.02 -0.26 -0.04 1.64 1.33 3hy1B1 LEU 309 HD13 0.00 -0.02 -0.01 -0.04 0.93 0.87 3hy1B1 LEU 309 HD23 0.04 -0.01 -0.26 -0.04 0.89 0.62 3hy1B1 ARG 310 H -0.03 0.48 -0.09 -0.55 8.46 8.27 3hy1B1 ARG 310 HA -0.10 -0.02 0.43 -0.75 4.34 3.90 3hy1B1 ARG 310 HB2 -0.03 -0.00 0.21 -0.04 1.90 2.03 3hy1B1 ARG 310 HB3 -0.22 0.11 0.24 -0.04 1.80 1.89 3hy1B1 ARG 310 HG2 -0.25 -0.01 -0.15 -0.04 1.67 1.22 3hy1B1 ARG 310 HG3 -0.15 -0.06 0.06 -0.04 1.67 1.48 3hy1B1 ARG 310 HD2 0.08 0.06 -0.07 -0.04 3.22 3.25 3hy1B1 ARG 310 HD3 -0.01 0.04 -0.05 -0.04 3.22 3.16 3hy1B1 ARG 311 H -0.28 0.73 -0.22 -0.55 8.46 8.14 3hy1B1 ARG 311 HA -0.28 0.01 0.41 -0.75 4.34 3.72 3hy1B1 ARG 311 HB2 -0.15 0.16 0.16 -0.04 1.90 2.04 3hy1B1 ARG 311 HB3 -0.13 -0.10 -0.02 -0.04 1.80 1.51 3hy1B1 ARG 311 HG2 -0.53 -0.05 0.01 -0.04 1.67 1.06 3hy1B1 ARG 311 HG3 -0.75 0.24 -0.09 -0.04 1.67 1.03 3hy1B1 ARG 311 HD2 -0.05 -0.10 -0.04 -0.04 3.22 2.98 3hy1B1 ARG 311 HD3 0.03 -0.04 -0.06 -0.04 3.22 3.11 3hy1B1 ILE 312 H -0.10 0.55 -0.10 -0.55 8.25 8.05 3hy1B1 ILE 312 HA -0.07 0.01 0.41 -0.75 4.18 3.77 3hy1B1 ILE 312 HB -0.07 0.10 0.13 -0.04 1.89 2.01 3hy1B1 ILE 312 HG12 -0.15 -0.07 0.01 -0.04 1.49 1.24 3hy1B1 ILE 312 HG13 -0.06 0.26 0.11 -0.04 1.21 1.47 3hy1B1 ILE 312 HG23 -0.37 -0.02 -0.02 -0.04 0.93 0.47 3hy1B1 ILE 312 HD13 -0.07 -0.04 -0.07 -0.04 0.88 0.66 3hy1B1 ILE 313 H -0.08 0.65 -0.07 -0.55 8.25 8.20 3hy1B1 ILE 313 HA -0.17 0.00 0.45 -0.75 4.18 3.71 3hy1B1 ILE 313 HB -0.11 0.12 0.17 -0.04 1.89 2.03 3hy1B1 ILE 313 HG12 0.15 -0.07 0.02 -0.04 1.49 1.54 3hy1B1 ILE 313 HG13 0.01 0.24 0.07 -0.04 1.21 1.49 3hy1B1 ILE 313 HG23 -0.05 -0.02 -0.13 -0.04 0.93 0.68 3hy1B1 ILE 313 HD13 0.02 -0.02 -0.09 -0.04 0.88 0.76 3hy1B1 ARG 314 H -0.26 0.72 -0.02 -0.55 8.46 8.34 3hy1B1 ARG 314 HA -0.33 -0.01 0.36 -0.75 4.34 3.60 3hy1B1 ARG 314 HB2 -0.49 0.05 0.15 -0.04 1.90 1.57 3hy1B1 ARG 314 HB3 -1.24 -0.01 0.06 -0.04 1.80 0.57 3hy1B1 ARG 314 HG2 -0.77 -0.07 0.03 -0.04 1.67 0.82 3hy1B1 ARG 314 HG3 -0.43 0.22 0.14 -0.04 1.67 1.56 3hy1B1 ARG 314 HD2 -0.54 -0.02 0.03 -0.04 3.22 2.65 3hy1B1 ARG 314 HD3 -1.79 0.05 0.07 -0.04 3.22 1.50 3hy1B1 ARG 315 H -0.12 0.59 -0.16 -0.55 8.46 8.21 3hy1B1 ARG 315 HA -0.00 0.02 0.50 -0.75 4.34 4.10 3hy1B1 ARG 315 HB2 0.09 0.10 0.15 -0.04 1.90 2.20 3hy1B1 ARG 315 HB3 0.17 -0.03 -0.00 -0.04 1.80 1.89 3hy1B1 ARG 315 HG2 0.02 -0.05 0.04 -0.04 1.67 1.64 3hy1B1 ARG 315 HG3 -0.06 0.08 0.07 -0.04 1.67 1.73 3hy1B1 ARG 315 HD2 0.02 -0.14 -0.23 -0.04 3.22 2.83 3hy1B1 ARG 315 HD3 0.03 -0.00 -0.17 -0.04 3.22 3.04 3hy1B1 ALA 316 H -0.06 0.48 -0.32 -0.55 8.40 7.96 3hy1B1 ALA 316 HA -0.04 0.02 0.50 -0.75 4.34 4.06 3hy1B1 ALA 316 HB3 -0.35 0.03 0.11 -0.04 1.41 1.17 3hy1B1 VAL 317 H -0.17 0.52 -0.03 -0.55 8.24 8.01 3hy1B1 VAL 317 HA 0.17 -0.03 0.46 -0.75 4.13 3.98 3hy1B1 VAL 317 HB 0.13 0.15 0.14 -0.04 2.12 2.50 3hy1B1 VAL 317 HG13 0.22 -0.01 -0.05 -0.04 0.97 1.08 3hy1B1 VAL 317 HG23 -0.18 0.05 0.03 -0.04 0.95 0.82 3hy1B1 ARG 318 H 0.07 0.52 -0.23 -0.55 8.46 8.27 3hy1B1 ARG 318 HA 0.05 0.03 0.43 -0.75 4.34 4.10 3hy1B1 ARG 318 HB2 0.03 0.10 0.12 -0.04 1.90 2.11 3hy1B1 ARG 318 HB3 -0.03 0.11 0.07 -0.04 1.80 1.91 3hy1B1 ARG 318 HG2 -0.01 -0.02 0.02 -0.04 1.67 1.63 3hy1B1 ARG 318 HG3 -0.03 -0.02 -0.04 -0.04 1.67 1.54 3hy1B1 ARG 318 HD2 -0.12 -0.05 -0.28 -0.04 3.22 2.74 3hy1B1 ARG 318 HD3 -0.05 -0.00 -0.06 -0.04 3.22 3.06 3hy1B1 HIS 319 H 0.15 0.36 -0.27 -0.55 8.41 8.10 3hy1B1 HIS 319 HA -0.02 0.03 0.46 -0.75 4.63 4.34 3hy1B1 HIS 319 HB2 -0.04 0.13 0.20 -0.04 3.26 3.52 3hy1B1 HIS 319 HB3 -0.04 -0.05 0.01 -0.04 3.20 3.08 3hy1B1 HIS 319 HD2 -0.05 0.39 0.06 -0.04 6.97 7.32 3hy1B1 HIS 319 HE1 -0.05 0.00 -0.03 -0.04 7.75 7.63 3hy1B1 GLY 320 H 0.20 0.49 -0.14 -0.55 8.43 8.44 3hy1B1 GLY 320 HA2 -0.25 -0.00 0.43 -0.51 4.01 3.68 3hy1B1 GLY 320 HA3 -0.32 0.02 0.29 -0.51 4.01 3.49 3hy1B1 ASN 321 H 0.05 0.59 -0.14 -0.55 8.53 8.49 3hy1B1 ASN 321 HA -0.04 0.13 0.41 -0.75 4.76 4.51 3hy1B1 ASN 321 HB2 0.04 -0.02 0.10 -0.04 2.88 2.96 3hy1B1 ASN 321 HB3 0.00 0.15 0.16 -0.04 2.79 3.07 3hy1B1 ASN 321 HD21 -0.01 -0.05 -0.03 -0.04 7.03 6.90 3hy1B1 ASN 321 HD22 0.01 0.03 0.00 -0.04 7.74 7.74 3hy1B1 MET 322 H -0.04 0.44 -0.22 -0.55 8.47 8.11 3hy1B1 MET 322 HA -0.04 0.02 0.41 -0.75 4.52 4.16 3hy1B1 MET 322 HB2 -0.08 0.09 0.20 -0.04 2.15 2.31 3hy1B1 MET 322 HB3 -0.05 -0.06 -0.05 -0.04 2.03 1.83 3hy1B1 MET 322 HG2 -0.05 -0.00 0.06 -0.04 2.63 2.60 3hy1B1 MET 322 HG3 -0.08 0.01 0.02 -0.04 2.56 2.47 3hy1B1 MET 322 HE3 -0.03 -0.01 -0.02 -0.04 2.10 1.99 3hy1B1 LEU 323 H -0.07 0.34 -0.31 -0.55 8.37 7.78 3hy1B1 LEU 323 HA -0.05 -0.03 0.38 -0.75 4.35 3.90 3hy1B1 LEU 323 HB2 -0.14 0.12 0.10 -0.04 1.64 1.67 3hy1B1 LEU 323 HB3 -0.09 -0.08 -0.04 -0.04 1.64 1.40 3hy1B1 LEU 323 HG -0.03 0.18 0.00 -0.04 1.64 1.75 3hy1B1 LEU 323 HD13 -0.05 -0.05 -0.22 -0.04 0.93 0.57 3hy1B1 LEU 323 HD23 -0.03 -0.06 -0.04 -0.04 0.89 0.72 3hy1B1 GLY 324 H -0.09 0.31 -0.40 -0.55 8.43 7.71 3hy1B1 GLY 324 HA2 -0.05 -0.02 0.23 -0.51 4.01 3.67 3hy1B1 GLY 324 HA3 -0.06 0.17 0.84 -0.51 4.01 4.45 3hy1B1 ALA 325 H -0.18 0.22 0.05 -0.55 8.40 7.94 3hy1B1 ALA 325 HA -0.15 0.05 0.42 -0.75 4.34 3.91 3hy1B1 ALA 325 HB3 -0.40 -0.04 -0.09 -0.04 1.41 0.84 3hy1B1 LYS 326 H -0.02 0.05 0.24 -0.55 8.42 8.13 3hy1B1 LYS 326 HA 0.00 0.19 0.77 -0.75 4.32 4.52 3hy1B1 LYS 326 HB2 -0.01 0.07 0.14 -0.04 1.87 2.03 3hy1B1 LYS 326 HB3 0.01 -0.08 -0.01 -0.04 1.79 1.67 3hy1B1 LYS 326 HG2 -0.00 -0.03 0.03 -0.04 1.46 1.42 3hy1B1 LYS 326 HG3 0.00 -0.09 0.07 -0.04 1.46 1.40 3hy1B1 LYS 326 HD2 -0.00 -0.07 0.06 -0.04 1.69 1.63 3hy1B1 LYS 326 HD3 -0.02 0.36 -0.20 -0.04 1.68 1.79 3hy1B1 LYS 326 HE2 -0.01 -0.10 0.02 -0.04 2.99 2.86 3hy1B1 LYS 326 HE3 -0.01 -0.03 0.00 -0.04 2.99 2.91 3hy1B1 GLU 327 H 0.06 0.12 0.13 -0.55 8.60 8.36 3hy1B1 GLU 327 HA 0.08 0.18 0.84 -0.75 4.29 4.63 3hy1B1 GLU 327 HB2 0.09 -0.04 0.09 -0.04 2.09 2.20 3hy1B1 GLU 327 HB3 0.06 0.03 -0.04 -0.04 1.99 2.00 3hy1B1 GLU 327 HG2 0.05 -0.06 0.04 -0.04 2.34 2.33 3hy1B1 GLU 327 HG3 0.09 0.12 -0.17 -0.04 2.34 2.33 3hy1B1 THR 328 H 0.13 0.12 0.10 -0.55 8.28 8.09 3hy1B1 THR 328 HA 0.21 -0.02 0.39 -0.75 4.39 4.22 3hy1B1 THR 328 HB 0.27 0.02 0.12 -0.04 4.32 4.68 3hy1B1 THR 328 HG23 0.25 -0.02 -0.04 -0.04 1.22 1.36 3hy1B1 PHE 329 H 0.12 -0.07 0.25 -0.55 8.34 8.09 3hy1B1 PHE 329 HA -0.11 0.25 0.97 -0.75 4.62 4.98 3hy1B1 PHE 329 HB2 -0.01 0.03 -0.01 -0.04 3.15 3.12 3hy1B1 PHE 329 HB3 0.02 0.28 -0.03 -0.04 3.06 3.30 3hy1B1 PHE 329 HD2 0.07 0.03 -0.13 -0.04 7.28 7.22 3hy1B1 PHE 329 HE2 0.11 0.03 -0.02 -0.04 7.38 7.47 3hy1B1 PHE 329 HZ 0.02 0.09 0.01 -0.04 7.32 7.40 3hy1B1 PHE 330 H -0.58 0.03 0.15 -0.55 8.34 7.38 3hy1B1 PHE 330 HA -0.64 0.13 0.17 -0.75 4.62 3.53 3hy1B1 PHE 330 HB2 -0.80 0.02 0.11 -0.04 3.15 2.44 3hy1B1 PHE 330 HB3 -0.26 0.01 0.04 -0.04 3.06 2.81 3hy1B1 PHE 330 HD2 -0.17 0.01 -0.04 -0.04 7.28 7.04 3hy1B1 PHE 330 HE2 0.01 0.03 -0.04 -0.04 7.38 7.34 3hy1B1 PHE 330 HZ 0.05 0.03 -0.47 -0.04 7.32 6.89 3hy1B1 TYR 331 H 0.09 0.09 -0.25 -0.55 8.29 7.67 3hy1B1 TYR 331 HA -0.23 0.09 0.46 -0.75 4.56 4.13 3hy1B1 TYR 331 HB2 -0.08 0.03 0.18 -0.04 3.06 3.15 3hy1B1 TYR 331 HB3 -0.06 -0.05 0.01 -0.04 2.98 2.84 3hy1B1 TYR 331 HD2 -0.03 -0.08 -0.18 -0.04 7.15 6.81 3hy1B1 TYR 331 HE2 0.00 0.03 -0.11 -0.04 6.85 6.74 3hy1B1 LYS 332 H -0.64 0.37 -0.37 -0.55 8.42 7.23 3hy1B1 LYS 332 HA -0.33 0.01 0.40 -0.75 4.32 3.65 3hy1B1 LYS 332 HB2 -0.21 0.25 0.11 -0.04 1.87 1.98 3hy1B1 LYS 332 HB3 -0.18 -0.03 0.15 -0.04 1.79 1.69 3hy1B1 LYS 332 HG2 -0.50 -0.05 0.03 -0.04 1.46 0.90 3hy1B1 LYS 332 HG3 -1.12 -0.11 0.01 -0.04 1.46 0.20 3hy1B1 LYS 332 HD2 -0.10 0.05 0.14 -0.04 1.69 1.74 3hy1B1 LYS 332 HD3 -0.11 -0.03 0.05 -0.04 1.68 1.56 3hy1B1 LYS 332 HE2 -0.05 -0.09 0.02 -0.04 2.99 2.84 3hy1B1 LYS 332 HE3 -0.10 0.15 0.08 -0.04 2.99 3.08 3hy1B1 LEU 333 H -0.25 0.28 -0.76 -0.55 8.37 7.09 3hy1B1 LEU 333 HA -0.10 0.18 0.71 -0.75 4.35 4.39 3hy1B1 LEU 333 HB2 -0.31 0.18 0.05 -0.04 1.64 1.52 3hy1B1 LEU 333 HB3 -0.12 -0.06 0.05 -0.04 1.64 1.47 3hy1B1 LEU 333 HG -0.01 0.03 -0.19 -0.04 1.64 1.43 3hy1B1 LEU 333 HD13 0.15 -0.01 -0.07 -0.04 0.93 0.97 3hy1B1 LEU 333 HD23 0.03 0.02 -0.21 -0.04 0.89 0.69 3hy1B1 VAL 334 H -0.16 0.45 -0.09 -0.55 8.24 7.88 3hy1B1 VAL 334 HA -0.19 0.07 0.43 -0.75 4.13 3.68 3hy1B1 VAL 334 HB -0.09 0.04 0.16 -0.04 2.12 2.18 3hy1B1 VAL 334 HG13 -0.15 -0.00 -0.13 -0.04 0.97 0.65 3hy1B1 VAL 334 HG23 -0.16 0.01 0.04 -0.04 0.95 0.80 3hy1B1 GLY 335 H -0.08 0.19 -0.08 -0.55 8.43 7.92 3hy1B1 GLY 335 HA2 -0.07 0.02 0.37 -0.51 4.01 3.82 3hy1B1 GLY 335 HA3 -0.05 0.10 0.26 -0.51 4.01 3.81 3hy1B1 PRO 336 HA -0.04 0.03 0.43 -0.51 4.44 4.34 3hy1B1 PRO 336 HB2 -0.05 0.11 -0.02 -0.04 2.28 2.27 3hy1B1 PRO 336 HB3 -0.03 0.02 0.05 -0.04 2.02 2.01 3hy1B1 PRO 336 HG2 -0.05 0.17 0.14 -0.04 2.03 2.25 3hy1B1 PRO 336 HG3 -0.04 0.01 0.07 -0.04 2.03 2.03 3hy1B1 PRO 336 HD2 -0.09 -0.09 -0.52 -0.04 3.68 2.94 3hy1B1 PRO 336 HD3 -0.06 0.08 0.04 -0.04 3.65 3.67 3hy1B1 LEU 337 H -0.10 0.45 -0.44 -0.55 8.37 7.73 3hy1B1 LEU 337 HA -0.09 0.00 0.44 -0.75 4.35 3.95 3hy1B1 LEU 337 HB2 -0.13 0.08 0.08 -0.04 1.64 1.64 3hy1B1 LEU 337 HB3 -0.16 0.16 0.19 -0.04 1.64 1.78 3hy1B1 LEU 337 HG -0.13 -0.05 -0.24 -0.04 1.64 1.18 3hy1B1 LEU 337 HD13 -0.10 -0.02 -0.01 -0.04 0.93 0.76 3hy1B1 LEU 337 HD23 -0.19 -0.03 -0.15 -0.04 0.89 0.47 3hy1B1 ILE 338 H -0.11 0.60 -0.06 -0.55 8.25 8.13 3hy1B1 ILE 338 HA -0.08 -0.04 0.45 -0.75 4.18 3.75 3hy1B1 ILE 338 HB -0.07 0.17 0.15 -0.04 1.89 2.10 3hy1B1 ILE 338 HG12 -0.16 -0.10 -0.06 -0.04 1.49 1.13 3hy1B1 ILE 338 HG13 -0.16 0.23 0.01 -0.04 1.21 1.25 3hy1B1 ILE 338 HG23 -0.05 -0.02 -0.09 -0.04 0.93 0.73 3hy1B1 ILE 338 HD13 -0.10 -0.02 -0.13 -0.04 0.88 0.59 3hy1B1 ASP 339 H -0.05 0.48 -0.21 -0.55 8.40 8.06 3hy1B1 ASP 339 HA -0.03 0.01 0.35 -0.75 4.63 4.21 3hy1B1 ASP 339 HB2 -0.04 0.17 0.11 -0.04 2.71 2.92 3hy1B1 ASP 339 HB3 -0.03 -0.05 0.02 -0.04 2.70 2.60 3hy1B1 VAL 340 H -0.05 0.36 -0.37 -0.55 8.24 7.63 3hy1B1 VAL 340 HA -0.04 0.11 0.61 -0.75 4.13 4.07 3hy1B1 VAL 340 HB -0.08 -0.14 0.13 -0.04 2.12 1.99 3hy1B1 VAL 340 HG13 -0.04 0.04 -0.03 -0.04 0.97 0.90 3hy1B1 VAL 340 HG23 -0.10 0.03 0.01 -0.04 0.95 0.85 3hy1B1 MET 341 H -0.03 0.38 -0.23 -0.55 8.47 8.04 3hy1B1 MET 341 HA -0.02 0.04 0.46 -0.75 4.52 4.24 3hy1B1 MET 341 HB2 0.05 0.13 0.06 -0.04 2.15 2.35 3hy1B1 MET 341 HB3 0.12 -0.16 -0.22 -0.04 2.03 1.73 3hy1B1 MET 341 HG2 0.00 0.26 -0.01 -0.04 2.63 2.85 3hy1B1 MET 341 HG3 0.27 -0.04 -0.10 -0.04 2.56 2.65 3hy1B1 MET 341 HE3 0.05 -0.01 -0.10 -0.04 2.10 2.00 3hy1B1 GLY 342 H -0.01 0.30 -0.29 -0.55 8.43 7.89 3hy1B1 GLY 342 HA2 -0.00 0.13 0.25 -0.51 4.01 3.88 3hy1B1 GLY 342 HA3 0.00 -0.02 0.45 -0.51 4.01 3.93 3hy1B1 SER 343 H 0.01 0.18 0.20 -0.55 8.46 8.31 3hy1B1 SER 343 HA 0.02 0.12 0.44 -0.75 4.49 4.32 3hy1B1 SER 343 HB2 0.02 0.03 0.11 -0.04 3.95 4.07 3hy1B1 SER 343 HB3 0.02 0.03 0.12 -0.04 3.93 4.06 3hy1B1 ALA 344 H 0.03 0.30 -0.17 -0.55 8.40 8.01 3hy1B1 ALA 344 HA 0.06 0.09 0.50 -0.75 4.34 4.24 3hy1B1 ALA 344 HB3 0.01 0.04 0.09 -0.04 1.41 1.52 3hy1B1 GLY 345 H 0.07 0.37 -0.81 -0.55 8.43 7.51 3hy1B1 GLY 345 HA2 0.28 0.15 0.76 -0.51 4.01 4.68 3hy1B1 GLY 345 HA3 0.07 0.11 0.22 -0.51 4.01 3.91 3hy1B1 GLU 346 H 0.06 0.40 -0.22 -0.55 8.60 8.30 3hy1B1 GLU 346 HA 0.01 0.07 0.35 -0.75 4.29 3.96 3hy1B1 GLU 346 HB2 0.03 0.30 0.23 -0.04 2.09 2.61 3hy1B1 GLU 346 HB3 0.03 -0.01 0.04 -0.04 1.99 2.01 3hy1B1 GLU 346 HG2 0.02 0.02 0.02 -0.04 2.34 2.35 3hy1B1 GLU 346 HG3 0.01 -0.03 0.02 -0.04 2.34 2.31 3hy1B1 ASP 347 H 0.08 0.15 -0.21 -0.55 8.40 7.87 3hy1B1 ASP 347 HA 0.02 0.10 0.40 -0.75 4.63 4.40 3hy1B1 ASP 347 HB2 0.13 0.02 -0.07 -0.04 2.71 2.75 3hy1B1 ASP 347 HB3 0.06 0.08 0.02 -0.04 2.70 2.82 3hy1B1 LEU 348 H -0.05 0.09 -0.50 -0.55 8.37 7.37 3hy1B1 LEU 348 HA -0.22 0.12 0.50 -0.75 4.35 4.00 3hy1B1 LEU 348 HB2 -0.95 -0.02 -0.00 -0.04 1.64 0.62 3hy1B1 LEU 348 HB3 -0.34 0.12 0.11 -0.04 1.64 1.48 3hy1B1 LEU 348 HG -0.30 -0.01 -0.29 -0.04 1.64 1.00 3hy1B1 LEU 348 HD13 -0.39 -0.01 -0.14 -0.04 0.93 0.34 3hy1B1 LEU 348 HD23 -0.73 -0.00 -0.11 -0.04 0.89 0.00 3hy1B1 LYS 349 H -0.09 0.67 0.04 -0.55 8.42 8.48 3hy1B1 LYS 349 HA -0.08 -0.02 0.39 -0.75 4.32 3.86 3hy1B1 LYS 349 HB2 -0.05 0.01 0.08 -0.04 1.87 1.86 3hy1B1 LYS 349 HB3 -0.03 0.09 0.09 -0.04 1.79 1.89 3hy1B1 LYS 349 HG2 -0.03 0.02 -0.15 -0.04 1.46 1.26 3hy1B1 LYS 349 HG3 -0.04 -0.06 0.05 -0.04 1.46 1.36 3hy1B1 LYS 349 HD2 -0.02 -0.01 -0.04 -0.04 1.69 1.58 3hy1B1 LYS 349 HD3 -0.03 -0.00 -0.04 -0.04 1.68 1.56 3hy1B1 LYS 349 HE2 -0.02 0.02 -0.05 -0.04 2.99 2.90 3hy1B1 LYS 349 HE3 -0.01 0.00 -0.05 -0.04 2.99 2.89 3hy1B1 ARG 350 H -0.04 0.45 -0.33 -0.55 8.46 7.99 3hy1B1 ARG 350 HA -0.02 -0.01 0.37 -0.75 4.34 3.93 3hy1B1 ARG 350 HB2 -0.02 0.19 0.09 -0.04 1.90 2.12 3hy1B1 ARG 350 HB3 -0.01 -0.03 -0.05 -0.04 1.80 1.67 3hy1B1 ARG 350 HG2 -0.01 -0.05 0.06 -0.04 1.67 1.63 3hy1B1 ARG 350 HG3 -0.00 0.00 0.05 -0.04 1.67 1.67 3hy1B1 ARG 350 HD2 0.01 0.03 0.03 -0.04 3.22 3.25 3hy1B1 ARG 350 HD3 0.00 -0.02 0.01 -0.04 3.22 3.17 3hy1B1 GLN 351 H -0.06 0.41 -0.56 -0.55 8.47 7.72 3hy1B1 GLN 351 HA -0.03 0.14 0.92 -0.75 4.36 4.63 3hy1B1 GLN 351 HB2 -0.05 0.09 0.14 -0.04 2.15 2.29 3hy1B1 GLN 351 HB3 -0.03 -0.15 0.17 -0.04 2.02 1.97 3hy1B1 GLN 351 HG2 -0.02 0.03 -0.26 -0.04 2.40 2.11 3hy1B1 GLN 351 HG3 -0.02 0.12 -0.06 -0.04 2.39 2.38 3hy1B1 GLN 351 HE21 0.00 0.00 0.01 -0.04 6.97 6.94 3hy1B1 GLN 351 HE22 -0.00 -0.03 -0.02 -0.04 7.69 7.60 3hy1B1 GLN 352 H -0.05 0.57 -0.20 -0.55 8.47 8.24 3hy1B1 GLN 352 HA -0.08 0.06 0.31 -0.75 4.36 3.89 3hy1B1 GLN 352 HB2 -0.06 0.05 0.14 -0.04 2.15 2.24 3hy1B1 GLN 352 HB3 -0.04 0.02 0.11 -0.04 2.02 2.07 3hy1B1 GLN 352 HG2 -0.03 -0.01 -0.21 -0.04 2.40 2.10 3hy1B1 GLN 352 HG3 -0.06 -0.07 -0.01 -0.04 2.39 2.21 3hy1B1 GLN 352 HE21 -0.03 0.02 -0.00 -0.04 6.97 6.91 3hy1B1 GLN 352 HE22 -0.03 -0.05 -0.02 -0.04 7.69 7.54 3hy1B1 ALA 353 H -0.03 0.16 -0.23 -0.55 8.40 7.76 3hy1B1 ALA 353 HA -0.03 0.08 0.39 -0.75 4.34 4.03 3hy1B1 ALA 353 HB3 -0.02 0.02 0.07 -0.04 1.41 1.44 3hy1B1 GLN 354 H -0.03 0.18 -0.05 -0.55 8.47 8.02 3hy1B1 GLN 354 HA -0.03 0.04 0.49 -0.75 4.36 4.10 3hy1B1 GLN 354 HB2 -0.02 0.06 -0.02 -0.04 2.15 2.12 3hy1B1 GLN 354 HB3 -0.02 0.01 0.09 -0.04 2.02 2.06 3hy1B1 GLN 354 HG2 -0.03 0.15 0.14 -0.04 2.40 2.62 3hy1B1 GLN 354 HG3 -0.02 0.07 0.04 -0.04 2.39 2.44 3hy1B1 GLN 354 HE21 -0.02 0.02 0.03 -0.04 6.97 6.95 3hy1B1 GLN 354 HE22 -0.02 0.03 0.03 -0.04 7.69 7.69 3hy1B1 VAL 355 H -0.05 0.60 -0.12 -0.55 8.24 8.12 3hy1B1 VAL 355 HA -0.04 0.05 0.48 -0.75 4.13 3.86 3hy1B1 VAL 355 HB -0.09 0.10 0.06 -0.04 2.12 2.15 3hy1B1 VAL 355 HG13 -0.13 -0.02 -0.04 -0.04 0.97 0.74 3hy1B1 VAL 355 HG23 -0.08 0.01 -0.02 -0.04 0.95 0.82 3hy1B1 GLU 356 H -0.05 0.42 -0.29 -0.55 8.60 8.15 3hy1B1 GLU 356 HA -0.00 0.02 0.60 -0.75 4.29 4.15 3hy1B1 GLU 356 HB2 -0.02 0.20 0.24 -0.04 2.09 2.46 3hy1B1 GLU 356 HB3 0.04 -0.08 0.01 -0.04 1.99 1.91 3hy1B1 GLU 356 HG2 0.05 0.03 0.13 -0.04 2.34 2.52 3hy1B1 GLU 356 HG3 -0.03 0.10 0.12 -0.04 2.34 2.49 3hy1B1 GLN 357 H -0.06 0.45 -0.04 -0.55 8.47 8.27 3hy1B1 GLN 357 HA -0.15 0.02 0.45 -0.75 4.36 3.93 3hy1B1 GLN 357 HB2 -0.07 0.04 0.12 -0.04 2.15 2.20 3hy1B1 GLN 357 HB3 -0.05 0.07 0.19 -0.04 2.02 2.19 3hy1B1 GLN 357 HG2 -0.04 0.01 -0.01 -0.04 2.40 2.32 3hy1B1 GLN 357 HG3 -0.05 -0.01 -0.24 -0.04 2.39 2.05 3hy1B1 GLN 357 HE21 -0.05 0.01 0.00 -0.04 6.97 6.89 3hy1B1 GLN 357 HE22 -0.04 0.02 -0.02 -0.04 7.69 7.62 3hy1B1 VAL 358 H -0.03 0.56 -0.12 -0.55 8.24 8.10 3hy1B1 VAL 358 HA -0.01 0.04 0.43 -0.75 4.13 3.84 3hy1B1 VAL 358 HB -0.01 0.09 0.14 -0.04 2.12 2.30 3hy1B1 VAL 358 HG13 0.01 -0.00 -0.06 -0.04 0.97 0.88 3hy1B1 VAL 358 HG23 -0.01 0.05 0.07 -0.04 0.95 1.02 3hy1B1 LEU 359 H -0.01 0.38 -0.28 -0.55 8.37 7.92 3hy1B1 LEU 359 HA 0.07 0.04 0.48 -0.75 4.35 4.19 3hy1B1 LEU 359 HB2 0.03 0.15 0.16 -0.04 1.64 1.93 3hy1B1 LEU 359 HB3 0.12 -0.14 -0.07 -0.04 1.64 1.50 3hy1B1 LEU 359 HG -0.01 0.15 0.05 -0.04 1.64 1.79 3hy1B1 LEU 359 HD13 -0.23 -0.01 -0.08 -0.04 0.93 0.57 3hy1B1 LEU 359 HD23 0.22 -0.03 -0.05 -0.04 0.89 0.99 3hy1B1 LYS 360 H -0.05 0.56 -0.17 -0.55 8.42 8.20 3hy1B1 LYS 360 HA 0.04 -0.09 0.43 -0.75 4.32 3.94 3hy1B1 LYS 360 HB2 -0.63 0.06 0.13 -0.04 1.87 1.39 3hy1B1 LYS 360 HB3 -0.23 0.12 0.20 -0.04 1.79 1.85 3hy1B1 LYS 360 HG2 -0.15 -0.01 -0.16 -0.04 1.46 1.10 3hy1B1 LYS 360 HG3 -0.40 -0.06 0.01 -0.04 1.46 0.97 3hy1B1 LYS 360 HD2 -0.66 -0.00 -0.03 -0.04 1.69 0.96 3hy1B1 LYS 360 HD3 -0.25 0.02 -0.01 -0.04 1.68 1.40 3hy1B1 LYS 360 HE2 -0.10 -0.01 -0.03 -0.04 2.99 2.81 3hy1B1 LYS 360 HE3 -0.16 -0.00 -0.02 -0.04 2.99 2.77 3hy1B1 THR 361 H -0.04 0.66 -0.07 -0.55 8.28 8.28 3hy1B1 THR 361 HA -0.01 0.02 0.43 -0.75 4.39 4.09 3hy1B1 THR 361 HB -0.01 0.09 0.12 -0.04 4.32 4.48 3hy1B1 THR 361 HG23 0.00 -0.01 -0.01 -0.04 1.22 1.16 3hy1B1 GLU 362 H 0.02 0.41 -0.26 -0.55 8.60 8.23 3hy1B1 GLU 362 HA 0.03 0.07 0.40 -0.75 4.29 4.04 3hy1B1 GLU 362 HB2 0.03 0.30 0.23 -0.04 2.09 2.61 3hy1B1 GLU 362 HB3 0.02 -0.04 -0.01 -0.04 1.99 1.92 3hy1B1 GLU 362 HG2 0.01 0.03 0.04 -0.04 2.34 2.38 3hy1B1 GLU 362 HG3 0.00 -0.04 0.02 -0.04 2.34 2.27 3hy1B1 GLU 363 H 0.07 0.55 -0.08 -0.55 8.60 8.59 3hy1B1 GLU 363 HA 0.12 0.06 0.50 -0.75 4.29 4.21 3hy1B1 GLU 363 HB2 0.05 -0.02 0.12 -0.04 2.09 2.20 3hy1B1 GLU 363 HB3 0.09 0.12 0.17 -0.04 1.99 2.33 3hy1B1 GLU 363 HG2 0.11 0.05 -0.21 -0.04 2.34 2.25 3hy1B1 GLU 363 HG3 0.11 0.02 0.08 -0.04 2.34 2.51 3hy1B1 GLU 364 H 0.06 0.38 -0.32 -0.55 8.60 8.17 3hy1B1 GLU 364 HA 0.07 0.01 0.42 -0.75 4.29 4.03 3hy1B1 GLU 364 HB2 0.03 0.32 0.28 -0.04 2.09 2.68 3hy1B1 GLU 364 HB3 0.03 0.03 0.05 -0.04 1.99 2.06 3hy1B1 GLU 364 HG2 0.03 -0.01 0.04 -0.04 2.34 2.35 3hy1B1 GLU 364 HG3 0.05 -0.07 0.07 -0.04 2.34 2.35 3hy1B1 GLN 365 H 0.07 0.51 -0.10 -0.55 8.47 8.41 3hy1B1 GLN 365 HA 0.06 0.07 0.49 -0.75 4.36 4.23 3hy1B1 GLN 365 HB2 0.06 0.11 0.11 -0.04 2.15 2.40 3hy1B1 GLN 365 HB3 0.06 -0.02 0.13 -0.04 2.02 2.15 3hy1B1 GLN 365 HG2 0.03 -0.03 0.02 -0.04 2.40 2.38 3hy1B1 GLN 365 HG3 0.03 0.04 0.07 -0.04 2.39 2.50 3hy1B1 GLN 365 HE21 0.02 -0.02 0.00 -0.04 6.97 6.93 3hy1B1 GLN 365 HE22 0.02 -0.02 0.01 -0.04 7.69 7.65 3hy1B1 PHE 366 H 0.19 0.19 -0.56 -0.55 8.34 7.62 3hy1B1 PHE 366 HA 0.03 0.19 0.84 -0.75 4.62 4.94 3hy1B1 PHE 366 HB2 -0.01 0.08 0.09 -0.04 3.15 3.27 3hy1B1 PHE 366 HB3 -0.01 0.03 0.13 -0.04 3.06 3.17 3hy1B1 PHE 366 HD2 -0.02 0.02 0.03 -0.04 7.28 7.27 3hy1B1 PHE 366 HE2 -0.17 0.10 -0.08 -0.04 7.38 7.19 3hy1B1 PHE 366 HZ -0.85 -0.05 -0.06 -0.04 7.32 6.32 3hy1B1 ALA 367 H 0.07 0.43 -0.08 -0.55 8.40 8.27 3hy1B1 ALA 367 HA -0.15 -0.02 0.44 -0.75 4.34 3.85 3hy1B1 ALA 367 HB3 0.03 0.06 0.14 -0.04 1.41 1.60 3hy1B1 ARG 368 H 0.01 0.17 -0.60 -0.55 8.46 7.49 3hy1B1 ARG 368 HA 0.01 0.05 0.43 -0.75 4.34 4.08 3hy1B1 ARG 368 HB2 0.03 0.14 -0.02 -0.04 1.90 2.01 3hy1B1 ARG 368 HB3 0.02 -0.02 0.01 -0.04 1.80 1.76 3hy1B1 ARG 368 HG2 0.02 -0.04 0.03 -0.04 1.67 1.64 3hy1B1 ARG 368 HG3 0.03 0.10 0.08 -0.04 1.67 1.84 3hy1B1 ARG 368 HD2 0.03 -0.05 0.02 -0.04 3.22 3.17 3hy1B1 ARG 368 HD3 0.04 0.16 0.12 -0.04 3.22 3.51 3hy1B1 THR 369 H -0.05 0.40 -0.25 -0.55 8.28 7.82 3hy1B1 THR 369 HA 0.12 0.13 0.83 -0.75 4.39 4.72 3hy1B1 THR 369 HB 0.32 -0.09 0.19 -0.04 4.32 4.70 3hy1B1 THR 369 HG23 0.02 -0.00 -0.08 -0.04 1.22 1.12 3hy1B1 LEU 370 H -0.20 0.24 -0.17 -0.55 8.37 7.69 3hy1B1 LEU 370 HA -0.12 0.09 0.34 -0.75 4.35 3.91 3hy1B1 LEU 370 HB2 -0.87 0.11 -0.01 -0.04 1.64 0.83 3hy1B1 LEU 370 HB3 -0.22 0.03 0.15 -0.04 1.64 1.56 3hy1B1 LEU 370 HG -0.07 -0.01 -0.27 -0.04 1.64 1.25 3hy1B1 LEU 370 HD13 -0.16 -0.02 -0.01 -0.04 0.93 0.70 3hy1B1 LEU 370 HD23 -0.05 0.01 -0.10 -0.04 0.89 0.71 3hy1B1 GLU 371 H -0.03 0.28 -0.05 -0.55 8.60 8.24 3hy1B1 GLU 371 HA -0.01 0.11 0.45 -0.75 4.29 4.08 3hy1B1 GLU 371 HB2 -0.01 0.06 0.10 -0.04 2.09 2.20 3hy1B1 GLU 371 HB3 -0.01 0.02 -0.03 -0.04 1.99 1.93 3hy1B1 GLU 371 HG2 -0.01 0.03 0.00 -0.04 2.34 2.32 3hy1B1 GLU 371 HG3 -0.02 -0.05 -0.03 -0.04 2.34 2.20 3hy1B1 ARG 372 H 0.02 0.20 -0.14 -0.55 8.46 8.00 3hy1B1 ARG 372 HA -0.03 0.07 0.49 -0.75 4.34 4.11 3hy1B1 ARG 372 HB2 0.19 0.09 0.05 -0.04 1.90 2.18 3hy1B1 ARG 372 HB3 0.20 -0.00 0.02 -0.04 1.80 1.97 3hy1B1 ARG 372 HG2 0.05 -0.01 0.04 -0.04 1.67 1.71 3hy1B1 ARG 372 HG3 0.03 -0.05 0.03 -0.04 1.67 1.64 3hy1B1 ARG 372 HD2 0.04 -0.02 0.04 -0.04 3.22 3.24 3hy1B1 ARG 372 HD3 0.06 0.18 0.10 -0.04 3.22 3.52 3hy1B1 GLY 373 H -0.09 0.30 -0.56 -0.55 8.43 7.53 3hy1B1 GLY 373 HA2 -1.22 0.00 0.53 -0.51 4.01 2.82 3hy1B1 GLY 373 HA3 -0.75 0.22 0.31 -0.51 4.01 3.28 3hy1B1 LEU 374 H -0.00 0.63 0.07 -0.55 8.37 8.52 3hy1B1 LEU 374 HA 0.00 -0.00 0.44 -0.75 4.35 4.04 3hy1B1 LEU 374 HB2 0.01 0.07 0.15 -0.04 1.64 1.83 3hy1B1 LEU 374 HB3 0.01 -0.02 0.02 -0.04 1.64 1.61 3hy1B1 LEU 374 HG 0.21 0.16 0.08 -0.04 1.64 2.05 3hy1B1 LEU 374 HD13 0.02 -0.01 -0.05 -0.04 0.93 0.85 3hy1B1 LEU 374 HD23 0.14 -0.02 -0.01 -0.04 0.89 0.95 3hy1B1 ALA 375 H -0.11 0.43 -0.41 -0.55 8.40 7.76 3hy1B1 ALA 375 HA -0.06 0.07 0.56 -0.75 4.34 4.16 3hy1B1 ALA 375 HB3 -0.06 0.04 0.08 -0.04 1.41 1.42 3hy1B1 LEU 376 H -0.26 0.47 -0.16 -0.55 8.37 7.87 3hy1B1 LEU 376 HA -0.13 -0.01 0.41 -0.75 4.35 3.87 3hy1B1 LEU 376 HB2 -0.54 0.25 0.27 -0.04 1.64 1.58 3hy1B1 LEU 376 HB3 -0.46 0.06 0.11 -0.04 1.64 1.31 3hy1B1 LEU 376 HG -0.27 -0.01 -0.02 -0.04 1.64 1.30 3hy1B1 LEU 376 HD13 -0.07 -0.03 -0.05 -0.04 0.93 0.73 3hy1B1 LEU 376 HD23 -0.02 -0.00 0.02 -0.04 0.89 0.85 3hy1B1 LEU 377 H -0.21 0.61 -0.23 -0.55 8.37 8.00 3hy1B1 LEU 377 HA -0.08 -0.05 0.35 -0.75 4.35 3.82 3hy1B1 LEU 377 HB2 -0.12 -0.00 0.04 -0.04 1.64 1.52 3hy1B1 LEU 377 HB3 -0.06 0.15 0.06 -0.04 1.64 1.75 3hy1B1 LEU 377 HG -0.01 0.04 -0.21 -0.04 1.64 1.42 3hy1B1 LEU 377 HD13 -0.00 -0.03 -0.04 -0.04 0.93 0.81 3hy1B1 LEU 377 HD23 0.06 -0.00 -0.05 -0.04 0.89 0.85 3hy1B1 ASP 378 H -0.06 0.36 -0.41 -0.55 8.40 7.74 3hy1B1 ASP 378 HA -0.02 0.04 0.49 -0.75 4.63 4.38 3hy1B1 ASP 378 HB2 -0.04 0.12 0.24 -0.04 2.71 2.99 3hy1B1 ASP 378 HB3 -0.02 -0.04 -0.03 -0.04 2.70 2.56 3hy1B1 GLU 379 H -0.05 0.58 -0.05 -0.55 8.60 8.54 3hy1B1 GLU 379 HA -0.02 0.03 0.48 -0.75 4.29 4.04 3hy1B1 GLU 379 HB2 -0.04 0.14 0.19 -0.04 2.09 2.34 3hy1B1 GLU 379 HB3 -0.02 -0.05 -0.04 -0.04 1.99 1.84 3hy1B1 GLU 379 HG2 -0.02 -0.02 0.05 -0.04 2.34 2.31 3hy1B1 GLU 379 HG3 -0.03 0.05 0.02 -0.04 2.34 2.33 3hy1B1 GLU 380 H -0.03 0.45 -0.26 -0.55 8.60 8.21 3hy1B1 GLU 380 HA -0.00 0.03 0.38 -0.75 4.29 3.95 3hy1B1 GLU 380 HB2 -0.02 0.10 0.05 -0.04 2.09 2.18 3hy1B1 GLU 380 HB3 0.00 -0.13 0.04 -0.04 1.99 1.86 3hy1B1 GLU 380 HG2 -0.03 0.24 0.06 -0.04 2.34 2.57 3hy1B1 GLU 380 HG3 -0.01 -0.09 -0.02 -0.04 2.34 2.18 3hy1B1 LEU 381 H -0.01 0.42 -0.27 -0.55 8.37 7.95 3hy1B1 LEU 381 HA 0.00 0.01 0.51 -0.75 4.35 4.12 3hy1B1 LEU 381 HB2 -0.01 0.10 0.11 -0.04 1.64 1.80 3hy1B1 LEU 381 HB3 -0.00 -0.00 0.04 -0.04 1.64 1.63 3hy1B1 LEU 381 HG -0.01 0.17 0.04 -0.04 1.64 1.80 3hy1B1 LEU 381 HD13 -0.00 -0.02 -0.12 -0.04 0.93 0.75 3hy1B1 LEU 381 HD23 0.01 -0.03 -0.06 -0.04 0.89 0.76 3hy1B1 ALA 382 H -0.01 0.27 -0.43 -0.55 8.40 7.69 3hy1B1 ALA 382 HA -0.00 0.13 0.63 -0.75 4.34 4.35 3hy1B1 ALA 382 HB3 -0.00 0.04 0.09 -0.04 1.41 1.50 3hy1B1 LYS 383 H -0.00 0.22 -0.14 -0.55 8.42 7.95 3hy1B1 LYS 383 HA 0.00 0.05 0.41 -0.75 4.32 4.03 3hy1B1 LYS 383 HB2 0.01 0.05 0.07 -0.04 1.87 1.96 3hy1B1 LYS 383 HB3 0.01 -0.08 0.17 -0.04 1.79 1.85 3hy1B1 LYS 383 HG2 0.00 -0.03 0.03 -0.04 1.46 1.42 3hy1B1 LYS 383 HG3 -0.00 0.31 0.14 -0.04 1.46 1.87 3hy1B1 LYS 383 HD2 0.01 -0.05 -0.01 -0.04 1.69 1.60 3hy1B1 LYS 383 HD3 0.01 -0.05 0.02 -0.04 1.68 1.61 3hy1B1 LYS 383 HE2 0.00 -0.00 -0.02 -0.04 2.99 2.93 3hy1B1 LYS 383 HE3 -0.00 0.04 -0.14 -0.04 2.99 2.84 3hy1B1 LEU 384 H 0.00 0.25 -1.35 -0.55 8.37 6.73 3hy1B1 LEU 384 HA 0.01 0.00 0.57 -0.75 4.35 4.17 3hy1B1 LEU 384 HB2 0.01 0.01 -0.11 -0.04 1.64 1.51 3hy1B1 LEU 384 HB3 0.01 0.16 -0.02 -0.04 1.64 1.74 3hy1B1 LEU 384 HG 0.01 0.12 -0.30 -0.04 1.64 1.43 3hy1B1 LEU 384 HD13 0.01 0.03 0.03 -0.04 0.93 0.97 3hy1B1 LEU 384 HD23 0.01 -0.04 -0.37 -0.04 0.89 0.45 3hy1B1 SER 385 H 0.01 0.10 0.18 -0.55 8.46 8.20 3hy1B1 SER 385 HA 0.00 0.13 0.82 -0.75 4.49 4.69 3hy1B1 SER 385 HB2 0.00 0.03 0.10 -0.04 3.95 4.04 3hy1B1 SER 385 HB3 0.01 -0.04 0.15 -0.04 3.93 4.01 3hy1B1 GLY 386 H 0.00 0.12 0.13 -0.55 8.43 8.14 3hy1B1 GLY 386 HA2 0.00 0.03 0.34 -0.51 4.01 3.87 3hy1B1 GLY 386 HA3 0.01 -0.03 0.43 -0.51 4.01 3.91 3hy1B1 ASP 387 H 0.01 0.05 0.16 -0.55 8.40 8.06 3hy1B1 ASP 387 HA 0.01 0.34 0.65 -0.75 4.63 4.87 3hy1B1 ASP 387 HB2 0.00 0.07 0.29 -0.04 2.71 3.03 3hy1B1 ASP 387 HB3 0.00 0.07 0.03 -0.04 2.70 2.76 3hy1B1 THR 388 H 0.01 0.24 -0.11 -0.55 8.28 7.87 3hy1B1 THR 388 HA 0.01 0.32 1.08 -0.75 4.39 5.04 3hy1B1 THR 388 HB 0.01 -0.00 0.06 -0.04 4.32 4.35 3hy1B1 THR 388 HG23 0.02 -0.02 -0.32 -0.04 1.22 0.86 3hy1B1 LEU 389 H 0.02 0.67 0.22 -0.55 8.37 8.73 3hy1B1 LEU 389 HA 0.02 0.14 0.59 -0.75 4.35 4.35 3hy1B1 LEU 389 HB2 0.02 0.12 0.01 -0.04 1.64 1.74 3hy1B1 LEU 389 HB3 0.02 -0.09 0.08 -0.04 1.64 1.62 3hy1B1 LEU 389 HG 0.04 0.06 -0.15 -0.04 1.64 1.56 3hy1B1 LEU 389 HD13 0.02 -0.00 -0.06 -0.04 0.93 0.84 3hy1B1 LEU 389 HD23 0.03 -0.01 -0.14 -0.04 0.89 0.73 3hy1B1 ASP 390 H 0.03 0.22 0.17 -0.55 8.40 8.27 3hy1B1 ASP 390 HA 0.04 0.08 0.49 -0.75 4.63 4.49 3hy1B1 ASP 390 HB2 0.05 -0.14 0.12 -0.04 2.71 2.70 3hy1B1 ASP 390 HB3 0.03 0.19 0.14 -0.04 2.70 3.03 3hy1B1 GLY 391 H 0.07 0.17 0.17 -0.55 8.43 8.29 3hy1B1 GLY 391 HA2 0.18 0.14 0.42 -0.51 4.01 4.24 3hy1B1 GLY 391 HA3 0.15 -0.05 -0.09 -0.51 4.01 3.50 3hy1B1 GLU 392 H 0.09 0.09 -0.16 -0.55 8.60 8.07 3hy1B1 GLU 392 HA 0.19 0.13 0.49 -0.75 4.29 4.35 3hy1B1 GLU 392 HB2 0.10 0.10 -0.07 -0.04 2.09 2.18 3hy1B1 GLU 392 HB3 0.06 0.09 0.07 -0.04 1.99 2.17 3hy1B1 GLU 392 HG2 0.06 -0.15 0.04 -0.04 2.34 2.25 3hy1B1 GLU 392 HG3 0.05 0.13 0.01 -0.04 2.34 2.48 3hy1B1 THR 393 H 0.11 0.10 -0.31 -0.55 8.28 7.62 3hy1B1 THR 393 HA 0.09 0.13 0.51 -0.75 4.39 4.36 3hy1B1 THR 393 HB 0.06 0.09 0.04 -0.04 4.32 4.46 3hy1B1 THR 393 HG23 0.01 0.02 -0.18 -0.04 1.22 1.03 3hy1B1 ALA 394 H 0.14 0.29 -0.22 -0.55 8.40 8.06 3hy1B1 ALA 394 HA 0.09 0.06 0.35 -0.75 4.34 4.09 3hy1B1 ALA 394 HB3 0.08 0.02 0.05 -0.04 1.41 1.52 3hy1B1 PHE 395 H 0.46 0.47 -0.26 -0.55 8.34 8.45 3hy1B1 PHE 395 HA 0.62 0.02 0.44 -0.75 4.62 4.95 3hy1B1 PHE 395 HB2 0.13 -0.00 0.10 -0.04 3.15 3.34 3hy1B1 PHE 395 HB3 0.15 0.05 0.18 -0.04 3.06 3.40 3hy1B1 PHE 395 HD2 0.06 0.00 -0.04 -0.04 7.28 7.26 3hy1B1 PHE 395 HE2 0.08 0.03 -0.05 -0.04 7.38 7.40 3hy1B1 PHE 395 HZ 0.06 0.05 -0.06 -0.04 7.32 7.33 3hy1B1 ARG 396 H 0.22 0.48 -0.18 -0.55 8.46 8.43 3hy1B1 ARG 396 HA -0.19 0.03 0.42 -0.75 4.34 3.84 3hy1B1 ARG 396 HB2 0.09 0.08 0.17 -0.04 1.90 2.19 3hy1B1 ARG 396 HB3 0.09 -0.01 0.00 -0.04 1.80 1.83 3hy1B1 ARG 396 HG2 0.13 -0.02 0.03 -0.04 1.67 1.77 3hy1B1 ARG 396 HG3 0.26 0.12 0.10 -0.04 1.67 2.11 3hy1B1 ARG 396 HD2 0.10 -0.03 -0.03 -0.04 3.22 3.22 3hy1B1 ARG 396 HD3 0.09 0.00 -0.01 -0.04 3.22 3.26 3hy1B1 LEU 397 H 0.06 0.58 -0.15 -0.55 8.37 8.31 3hy1B1 LEU 397 HA -0.01 0.03 0.44 -0.75 4.35 4.06 3hy1B1 LEU 397 HB2 0.05 0.10 0.07 -0.04 1.64 1.82 3hy1B1 LEU 397 HB3 -0.15 -0.04 -0.05 -0.04 1.64 1.36 3hy1B1 LEU 397 HG -0.13 0.07 -0.01 -0.04 1.64 1.53 3hy1B1 LEU 397 HD13 -0.08 -0.03 -0.10 -0.04 0.93 0.68 3hy1B1 LEU 397 HD23 -0.75 -0.01 0.00 -0.04 0.89 0.10 3hy1B1 TYR 398 H 0.23 0.32 -0.44 -0.55 8.29 7.84 3hy1B1 TYR 398 HA 0.19 0.04 0.50 -0.75 4.56 4.54 3hy1B1 TYR 398 HB2 0.13 0.02 0.12 -0.04 3.06 3.29 3hy1B1 TYR 398 HB3 0.20 0.08 0.25 -0.04 2.98 3.48 3hy1B1 TYR 398 HD2 0.15 0.01 -0.07 -0.04 7.15 7.19 3hy1B1 TYR 398 HE2 0.18 -0.01 -0.06 -0.04 6.85 6.92 3hy1B1 ASP 399 H -0.14 0.86 0.16 -0.55 8.40 8.73 3hy1B1 ASP 399 HA -0.34 0.03 0.31 -0.75 4.63 3.88 3hy1B1 ASP 399 HB2 -0.85 -0.03 0.08 -0.04 2.71 1.87 3hy1B1 ASP 399 HB3 -0.61 -0.01 0.08 -0.04 2.70 2.12 3hy1B1 THR 400 H -0.09 0.46 -0.13 -0.55 8.28 7.98 3hy1B1 THR 400 HA -0.17 0.18 0.77 -0.75 4.39 4.42 3hy1B1 THR 400 HB -0.17 0.07 0.08 -0.04 4.32 4.26 3hy1B1 THR 400 HG23 -0.46 -0.01 -0.06 -0.04 1.22 0.64 3hy1B1 TYR 401 H 0.13 0.19 -0.07 -0.55 8.29 7.99 3hy1B1 TYR 401 HA 0.04 0.17 0.67 -0.75 4.56 4.69 3hy1B1 TYR 401 HB2 -0.25 0.08 0.17 -0.04 3.06 3.02 3hy1B1 TYR 401 HB3 -0.03 0.05 0.15 -0.04 2.98 3.12 3hy1B1 TYR 401 HD2 -0.10 0.08 -0.00 -0.04 7.15 7.09 3hy1B1 TYR 401 HE2 -0.07 -0.04 -0.13 -0.04 6.85 6.57 3hy1B1 GLY 402 H 0.08 0.18 -0.40 -0.55 8.43 7.75 3hy1B1 GLY 402 HA2 0.04 0.10 0.25 -0.51 4.01 3.89 3hy1B1 GLY 402 HA3 0.21 0.01 0.34 -0.51 4.01 4.06 3hy1B1 PHE 403 H 0.47 0.59 -0.04 -0.55 8.34 8.81 3hy1B1 PHE 403 HA 0.20 0.16 0.64 -0.75 4.62 4.87 3hy1B1 PHE 403 HB2 0.16 0.05 -0.35 -0.04 3.15 2.97 3hy1B1 PHE 403 HB3 0.12 -0.14 -0.23 -0.04 3.06 2.77 3hy1B1 PHE 403 HD2 0.18 0.04 -0.32 -0.04 7.28 7.13 3hy1B1 PHE 403 HE2 -0.01 0.07 -0.15 -0.04 7.38 7.25 3hy1B1 PHE 403 HZ -0.08 0.14 0.07 -0.04 7.32 7.41 3hy1B1 PRO 404 HA 0.38 0.08 0.51 -0.51 4.44 4.90 3hy1B1 PRO 404 HB2 -0.00 -0.16 0.01 -0.04 2.28 2.08 3hy1B1 PRO 404 HB3 0.02 0.11 0.07 -0.04 2.02 2.19 3hy1B1 PRO 404 HG2 -0.12 -0.09 0.12 -0.04 2.03 1.90 3hy1B1 PRO 404 HG3 -0.23 0.10 0.06 -0.04 2.03 1.92 3hy1B1 PRO 404 HD2 -0.15 0.12 0.28 -0.04 3.68 3.89 3hy1B1 PRO 404 HD3 -0.04 0.35 0.10 -0.04 3.65 4.01 3hy1B1 VAL 405 H -0.01 0.19 0.16 -0.55 8.24 8.04 3hy1B1 VAL 405 HA -0.03 0.12 0.17 -0.75 4.13 3.64 3hy1B1 VAL 405 HB -0.61 0.08 0.04 -0.04 2.12 1.60 3hy1B1 VAL 405 HG13 -0.67 0.01 0.06 -0.04 0.97 0.33 3hy1B1 VAL 405 HG23 -0.29 -0.01 -0.17 -0.04 0.95 0.44 3hy1B1 ASP 406 H -0.01 0.09 -0.32 -0.55 8.40 7.61 3hy1B1 ASP 406 HA -0.01 0.09 0.50 -0.75 4.63 4.45 3hy1B1 ASP 406 HB2 0.01 0.05 -0.03 -0.04 2.71 2.71 3hy1B1 ASP 406 HB3 0.01 0.00 0.02 -0.04 2.70 2.69 3hy1B1 LEU 407 H 0.01 0.35 -0.25 -0.55 8.37 7.93 3hy1B1 LEU 407 HA 0.02 0.08 0.52 -0.75 4.35 4.21 3hy1B1 LEU 407 HB2 -0.08 -0.03 0.06 -0.04 1.64 1.55 3hy1B1 LEU 407 HB3 -0.02 0.27 0.11 -0.04 1.64 1.96 3hy1B1 LEU 407 HG -0.09 0.00 -0.33 -0.04 1.64 1.19 3hy1B1 LEU 407 HD13 -0.04 -0.03 -0.02 -0.04 0.93 0.80 3hy1B1 LEU 407 HD23 -0.30 -0.00 -0.10 -0.04 0.89 0.46 3hy1B1 THR 408 H 0.10 0.35 -0.20 -0.55 8.28 7.99 3hy1B1 THR 408 HA 0.17 0.08 0.37 -0.75 4.39 4.25 3hy1B1 THR 408 HB 0.05 0.08 0.07 -0.04 4.32 4.48 3hy1B1 THR 408 HG23 0.06 -0.01 -0.17 -0.04 1.22 1.06 3hy1B1 ALA 409 H 0.02 0.61 -0.21 -0.55 8.40 8.27 3hy1B1 ALA 409 HA 0.01 0.02 0.36 -0.75 4.34 3.97 3hy1B1 ALA 409 HB3 -0.00 0.00 0.09 -0.04 1.41 1.46 3hy1B1 ASP 410 H 0.03 0.35 -0.48 -0.55 8.40 7.76 3hy1B1 ASP 410 HA 0.05 0.01 0.44 -0.75 4.63 4.38 3hy1B1 ASP 410 HB2 0.07 0.04 0.14 -0.04 2.71 2.91 3hy1B1 ASP 410 HB3 0.05 0.15 0.15 -0.04 2.70 3.01 3hy1B1 VAL 411 H 0.04 0.39 -0.28 -0.55 8.24 7.83 3hy1B1 VAL 411 HA -0.01 0.07 0.56 -0.75 4.13 3.99 3hy1B1 VAL 411 HB 0.05 0.09 0.13 -0.04 2.12 2.36 3hy1B1 VAL 411 HG13 0.01 -0.01 -0.11 -0.04 0.97 0.83 3hy1B1 VAL 411 HG23 0.04 0.06 -0.00 -0.04 0.95 1.00 3hy1B1 CYS 412 H 0.03 0.47 -0.01 -0.55 8.50 8.43 3hy1B1 CYS 412 HA 0.01 0.04 0.38 -0.75 4.58 4.26 3hy1B1 CYS 412 HB2 0.01 0.07 0.08 -0.04 2.97 3.10 3hy1B1 CYS 412 HB3 0.01 0.01 -0.02 -0.04 2.97 2.93 3hy1B1 ARG 413 H 0.02 0.57 -0.25 -0.55 8.46 8.24 3hy1B1 ARG 413 HA -0.00 -0.02 0.40 -0.75 4.34 3.97 3hy1B1 ARG 413 HB2 0.00 0.04 0.14 -0.04 1.90 2.04 3hy1B1 ARG 413 HB3 0.05 0.29 0.13 -0.04 1.80 2.23 3hy1B1 ARG 413 HG2 0.07 0.02 -0.06 -0.04 1.67 1.66 3hy1B1 ARG 413 HG3 -0.02 -0.03 -0.14 -0.04 1.67 1.44 3hy1B1 ARG 413 HD2 -0.15 -0.04 -0.01 -0.04 3.22 2.97 3hy1B1 ARG 413 HD3 -0.06 -0.03 -0.01 -0.04 3.22 3.08 3hy1B1 GLU 414 H 0.04 0.38 -0.31 -0.55 8.60 8.16 3hy1B1 GLU 414 HA 0.08 0.01 0.36 -0.75 4.29 3.98 3hy1B1 GLU 414 HB2 0.01 0.17 0.12 -0.04 2.09 2.35 3hy1B1 GLU 414 HB3 0.02 -0.06 0.08 -0.04 1.99 1.98 3hy1B1 GLU 414 HG2 0.10 -0.08 0.05 -0.04 2.34 2.37 3hy1B1 GLU 414 HG3 0.08 0.20 0.14 -0.04 2.34 2.71 3hy1B1 ARG 415 H 0.02 0.28 -0.38 -0.55 8.46 7.82 3hy1B1 ARG 415 HA 0.01 0.12 0.81 -0.75 4.34 4.52 3hy1B1 ARG 415 HB2 0.01 0.02 0.08 -0.04 1.90 1.97 3hy1B1 ARG 415 HB3 0.01 -0.02 0.07 -0.04 1.80 1.81 3hy1B1 ARG 415 HG2 0.00 -0.01 0.05 -0.04 1.67 1.67 3hy1B1 ARG 415 HG3 0.00 -0.00 -0.08 -0.04 1.67 1.55 3hy1B1 ARG 415 HD2 0.00 -0.01 -0.04 -0.04 3.22 3.13 3hy1B1 ARG 415 HD3 -0.00 -0.02 -0.02 -0.04 3.22 3.13 3hy1B1 ASN 416 H 0.02 0.34 -0.38 -0.55 8.53 7.96 3hy1B1 ASN 416 HA 0.00 0.01 0.31 -0.75 4.76 4.34 3hy1B1 ASN 416 HB2 0.01 -0.03 -0.43 -0.04 2.88 2.39 3hy1B1 ASN 416 HB3 0.01 0.17 0.24 -0.04 2.79 3.16 3hy1B1 ASN 416 HD21 -0.00 -0.10 0.03 -0.04 7.03 6.93 3hy1B1 ASN 416 HD22 0.00 0.05 0.19 -0.04 7.74 7.93 3hy1B1 ILE 417 H 0.01 0.63 -0.13 -0.55 8.25 8.21 3hy1B1 ILE 417 HA 0.00 0.26 1.07 -0.75 4.18 4.76 3hy1B1 ILE 417 HB 0.01 -0.13 0.00 -0.04 1.89 1.73 3hy1B1 ILE 417 HG12 0.01 0.01 -0.08 -0.04 1.49 1.38 3hy1B1 ILE 417 HG13 0.01 0.13 -0.57 -0.04 1.21 0.74 3hy1B1 ILE 417 HG23 0.01 0.04 -0.27 -0.04 0.93 0.67 3hy1B1 ILE 417 HD13 0.01 -0.02 -0.09 -0.04 0.88 0.73 3hy1B1 LYS 418 H 0.00 0.45 0.28 -0.55 8.42 8.60 3hy1B1 LYS 418 HA 0.00 0.12 0.71 -0.75 4.32 4.39 3hy1B1 LYS 418 HB2 0.00 0.01 0.06 -0.04 1.87 1.91 3hy1B1 LYS 418 HB3 0.00 -0.05 0.03 -0.04 1.79 1.73 3hy1B1 LYS 418 HG2 -0.01 0.01 -0.01 -0.04 1.46 1.41 3hy1B1 LYS 418 HG3 -0.00 0.08 -0.06 -0.04 1.46 1.43 3hy1B1 LYS 418 HD2 -0.00 -0.01 -0.03 -0.04 1.69 1.61 3hy1B1 LYS 418 HD3 -0.00 -0.05 -0.01 -0.04 1.68 1.58 3hy1B1 LYS 418 HE2 -0.01 -0.00 -0.02 -0.04 2.99 2.91 3hy1B1 LYS 418 HE3 -0.01 0.05 -0.03 -0.04 2.99 2.96 3hy1B1 VAL 419 H 0.01 0.16 0.16 -0.55 8.24 8.02 3hy1B1 VAL 419 HA 0.02 0.23 0.94 -0.75 4.13 4.56 3hy1B1 VAL 419 HB -0.00 -0.03 0.07 -0.04 2.12 2.12 3hy1B1 VAL 419 HG13 0.00 -0.02 -0.32 -0.04 0.97 0.59 3hy1B1 VAL 419 HG23 0.01 0.04 -0.16 -0.04 0.95 0.80 3hy1B1 ASP 420 H 0.04 0.72 0.09 -0.55 8.40 8.70 3hy1B1 ASP 420 HA 0.03 0.08 0.53 -0.75 4.63 4.52 3hy1B1 ASP 420 HB2 0.04 0.24 0.06 -0.04 2.71 3.00 3hy1B1 ASP 420 HB3 0.06 -0.18 0.24 -0.04 2.70 2.78 3hy1B1 GLU 421 H 0.04 0.37 0.28 -0.55 8.60 8.75 3hy1B1 GLU 421 HA 0.10 0.07 0.31 -0.75 4.29 4.01 3hy1B1 GLU 421 HB2 0.03 0.13 0.19 -0.04 2.09 2.40 3hy1B1 GLU 421 HB3 0.05 0.00 0.07 -0.04 1.99 2.07 3hy1B1 GLU 421 HG2 0.03 0.01 0.01 -0.04 2.34 2.34 3hy1B1 GLU 421 HG3 0.03 0.06 0.01 -0.04 2.34 2.40 3hy1B1 ALA 422 H 0.04 0.17 0.00 -0.55 8.40 8.07 3hy1B1 ALA 422 HA 0.03 0.11 0.42 -0.75 4.34 4.15 3hy1B1 ALA 422 HB3 0.02 0.04 0.06 -0.04 1.41 1.49 3hy1B1 GLY 423 H 0.05 0.07 -0.44 -0.55 8.43 7.57 3hy1B1 GLY 423 HA2 0.01 0.12 0.45 -0.51 4.01 4.08 3hy1B1 GLY 423 HA3 0.05 -0.04 0.32 -0.51 4.01 3.84 3hy1B1 PHE 424 H 0.20 0.52 -0.05 -0.55 8.34 8.45 3hy1B1 PHE 424 HA 0.04 0.11 0.49 -0.75 4.62 4.51 3hy1B1 PHE 424 HB2 0.04 -0.03 0.13 -0.04 3.15 3.25 3hy1B1 PHE 424 HB3 0.01 0.15 0.19 -0.04 3.06 3.37 3hy1B1 PHE 424 HD2 0.06 0.04 -0.08 -0.04 7.28 7.26 3hy1B1 PHE 424 HE2 -0.03 0.03 -0.05 -0.04 7.38 7.29 3hy1B1 PHE 424 HZ -0.71 0.05 -0.03 -0.04 7.32 6.58 3hy1B1 GLU 425 H 0.08 0.53 -0.07 -0.55 8.60 8.59 3hy1B1 GLU 425 HA -0.30 0.05 0.47 -0.75 4.29 3.77 3hy1B1 GLU 425 HB2 -0.01 0.08 0.12 -0.04 2.09 2.24 3hy1B1 GLU 425 HB3 -0.05 0.00 0.03 -0.04 1.99 1.93 3hy1B1 GLU 425 HG2 0.14 0.18 0.05 -0.04 2.34 2.67 3hy1B1 GLU 425 HG3 0.05 -0.02 -0.02 -0.04 2.34 2.31 3hy1B1 ALA 426 H -0.06 0.57 -0.15 -0.55 8.40 8.21 3hy1B1 ALA 426 HA -0.09 0.03 0.48 -0.75 4.34 4.01 3hy1B1 ALA 426 HB3 -0.05 0.02 0.12 -0.04 1.41 1.46 3hy1B1 ALA 427 H -0.16 0.54 -0.24 -0.55 8.40 8.00 3hy1B1 ALA 427 HA -0.26 0.01 0.43 -0.75 4.34 3.77 3hy1B1 ALA 427 HB3 -0.25 0.01 0.04 -0.04 1.41 1.16 3hy1B1 MET 428 H -0.52 0.65 -0.07 -0.55 8.47 7.99 3hy1B1 MET 428 HA -0.46 0.02 0.44 -0.75 4.52 3.77 3hy1B1 MET 428 HB2 -0.41 0.04 0.21 -0.04 2.15 1.95 3hy1B1 MET 428 HB3 -0.22 -0.01 -0.04 -0.04 2.03 1.72 3hy1B1 MET 428 HG2 -1.12 0.04 0.04 -0.04 2.63 1.55 3hy1B1 MET 428 HG3 -0.62 -0.06 -0.01 -0.04 2.56 1.83 3hy1B1 MET 428 HE3 0.02 -0.01 -0.02 -0.04 2.10 2.05 3hy1B1 GLU 429 H -0.21 0.60 -0.20 -0.55 8.60 8.25 3hy1B1 GLU 429 HA -0.10 0.04 0.29 -0.75 4.29 3.76 3hy1B1 GLU 429 HB2 -0.09 -0.00 0.10 -0.04 2.09 2.05 3hy1B1 GLU 429 HB3 -0.10 0.01 0.19 -0.04 1.99 2.05 3hy1B1 GLU 429 HG2 -0.05 -0.04 -0.04 -0.04 2.34 2.17 3hy1B1 GLU 429 HG3 -0.06 0.03 -0.31 -0.04 2.34 1.96 3hy1B1 GLU 430 H -0.13 0.66 0.10 -0.55 8.60 8.68 3hy1B1 GLU 430 HA -0.07 0.00 0.34 -0.75 4.29 3.81 3hy1B1 GLN 431 H -0.24 0.41 -0.42 -0.55 8.47 7.67 3hy1B1 GLN 431 HA -0.12 -0.05 -0.05 -0.75 4.36 3.39 3hy1B1 GLN 431 HB2 -0.51 -0.01 0.21 -0.04 2.15 1.81 3hy1B1 GLN 431 HB3 -0.50 0.04 0.22 -0.04 2.02 1.74 3hy1B1 GLN 431 HG2 -0.31 -0.07 -0.04 -0.04 2.40 1.93 3hy1B1 GLN 431 HG3 -0.03 0.02 -0.17 -0.04 2.39 2.17 3hy1B1 GLN 431 HE21 0.01 -0.04 -0.01 -0.04 6.97 6.88 3hy1B1 GLN 431 HE22 0.00 0.07 -0.02 -0.04 7.69 7.70 3hy1B1 ARG 432 H -0.14 0.40 -0.32 -0.55 8.46 7.86 3hy1B1 ARG 432 HA 0.03 0.02 -0.34 -0.75 4.34 3.30 3hy1B1 ARG 432 HB2 -0.10 0.20 0.23 -0.04 1.90 2.19 3hy1B1 ARG 432 HB3 0.03 -0.03 -0.04 -0.04 1.80 1.72 3hy1B1 ARG 432 HG2 0.44 -0.06 -0.01 -0.04 1.67 2.01 3hy1B1 ARG 432 HG3 0.25 -0.04 0.00 -0.04 1.67 1.84 3hy1B1 ARG 432 HD2 0.20 -0.02 -0.02 -0.04 3.22 3.34 3hy1B1 ARG 432 HD3 0.10 0.03 0.04 -0.04 3.22 3.35 3hy1B1 ARG 433 H -0.06 0.33 -0.10 -0.55 8.46 8.08 3hy1B1 ARG 433 HA -0.01 0.04 0.55 -0.75 4.34 4.17 3hy1B1 ARG 433 HB2 -0.04 0.23 0.15 -0.04 1.90 2.20 3hy1B1 ARG 433 HB3 -0.02 -0.09 0.09 -0.04 1.80 1.74 3hy1B1 ARG 433 HG2 -0.02 -0.05 -0.06 -0.04 1.67 1.50 3hy1B1 ARG 433 HG3 -0.06 0.11 0.12 -0.04 1.67 1.80 3hy1B1 ARG 433 HD2 -0.03 -0.07 -0.03 -0.04 3.22 3.05 3hy1B1 ARG 433 HD3 -0.04 -0.04 0.01 -0.04 3.22 3.11 3hy1B1 ARG 434 H -0.03 0.51 -0.15 -0.55 8.46 8.24 3hy1B1 ARG 434 HA -0.01 0.22 0.69 -0.75 4.34 4.49 3hy1B1 ARG 434 HB2 -0.02 0.06 0.17 -0.04 1.90 2.07 3hy1B1 ARG 434 HB3 -0.02 -0.10 0.04 -0.04 1.80 1.68 3hy1B1 ARG 434 HG2 -0.03 -0.06 -0.18 -0.04 1.67 1.37 3hy1B1 ARG 434 HG3 -0.04 0.19 0.11 -0.04 1.67 1.90 3hy1B1 ARG 434 HD2 -0.02 -0.02 -0.03 -0.04 3.22 3.11 3hy1B1 ARG 434 HD3 -0.03 -0.06 -0.01 -0.04 3.22 3.07 3hy1B1 ALA 435 H 0.00 0.25 -0.55 -0.55 8.40 7.56 3hy1B1 ALA 435 HA 0.01 0.07 0.35 -0.75 4.34 4.01 3hy1B1 ALA 435 HB3 0.01 0.01 0.02 -0.04 1.41 1.41 3hy1B1 ARG 436 H 0.00 0.24 -0.07 -0.55 8.46 8.08 3hy1B1 ARG 436 HA -0.00 0.11 0.71 -0.75 4.34 4.41 3hy1B1 GLU 437 H 0.00 0.12 -0.03 -0.55 8.60 8.15 3hy1B1 GLU 437 HA 0.00 0.10 0.40 -0.75 4.29 4.04