============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. PHE 11 1.000 -7.493 -18.760 -22.497 -99.200 -91.000 PHE 14 1.000 -8.950 -25.736 -20.197 -99.200 -91.000 PHE 15 1.000 -5.704 -23.283 -22.800 -99.200 -91.000 HIS 16 0.900 -1.125 -23.330 -13.103 -99.200 -91.000 HIS 20 0.900 -1.132 -24.979 -22.128 -99.200 -91.000 HIS 31 0.900 10.402 -2.394 -26.066 -99.200 -91.000 PHE 38 1.000 0.954 1.152 -31.767 -99.200 -91.000 PHE 46 1.000 5.018 -16.326 -25.413 -99.200 -91.000 PHE 50 1.000 5.088 -19.756 -31.609 -99.200 -91.000 TYR 58 0.840 7.858 -20.366 -20.631 -99.200 -91.000 HIS 74 0.900 -1.901 -8.771 -38.150 -99.200 -91.000 TYR 82 0.840 -18.779 2.833 -39.703 -99.200 -91.000 HIS 86 0.900 -14.011 -6.238 -36.982 -99.200 -91.000 HIS 87 0.900 -13.660 -4.131 -29.031 -99.200 -91.000 PHE 89 1.000 -6.291 -2.551 -24.688 -99.200 -91.000 PHE 90 1.000 -7.727 -7.566 -30.528 -99.200 -91.000 PHE 96 1.000 0.509 -17.973 -27.019 -99.200 -91.000 PHE 98 1.000 6.115 -21.470 -26.613 -99.200 -91.000 TYR 101 0.840 -0.632 -28.009 -26.703 -99.200 -91.000 PHE 102 1.000 1.023 -29.273 -35.415 -99.200 -91.000 PHE 109 1.000 -4.984 -29.110 -23.872 -99.200 -91.000 TRP 111 1.040 -15.854 -30.048 -28.229 -99.200 -91.000 TRP6 111 1.020 -17.214 -28.728 -29.622 -99.200 -91.000 TRP 119 1.040 -13.164 -26.266 -17.543 -99.200 -91.000 TRP6 119 1.020 -11.956 -24.888 -16.072 -99.200 -91.000 PHE 120 1.000 -15.207 -20.120 -20.952 -99.200 -91.000 TRP 128 1.040 -22.428 -22.939 -37.329 -99.200 -91.000 TRP6 128 1.020 -23.128 -23.606 -39.474 -99.200 -91.000 TYR 132 0.840 -5.214 -23.715 -46.482 -99.200 -91.000 TYR 139 0.840 -13.964 -32.593 -42.966 -99.200 -91.000 TRP 142 1.040 -12.255 -29.046 -35.940 -99.200 -91.000 TRP6 142 1.020 -12.908 -28.206 -33.844 -99.200 -91.000 TYR 164 0.840 0.187 -20.345 -48.989 -99.200 -91.000 PHE 169 1.000 -0.552 -20.872 -44.624 -99.200 -91.000 TRP 170 1.040 -3.072 -15.130 -38.174 -99.200 -91.000 TRP6 170 1.020 -1.047 -14.806 -37.009 -99.200 -91.000 PHE 185 1.000 -15.942 -18.379 -37.970 -99.200 -91.000 TYR 186 0.840 -22.763 -18.357 -29.494 -99.200 -91.000 HIS 188 0.900 -23.329 -13.545 -30.541 -99.200 -91.000 HIS 191 0.900 -31.215 -12.148 -32.473 -99.200 -91.000 TRP 193 1.040 -27.391 -9.124 -43.729 -99.200 -91.000 TRP6 193 1.020 -25.082 -8.845 -44.144 -99.200 -91.000 TYR 207 0.840 -23.952 -18.248 -38.714 -99.200 -91.000 TRP 211 1.040 -9.359 -20.336 -29.115 -99.200 -91.000 TRP6 211 1.020 -9.972 -21.478 -27.143 -99.200 -91.000 PHE 215 1.000 -3.982 -26.837 -36.204 -99.200 -91.000 PHE 218 1.000 4.838 -24.739 -44.344 -99.200 -91.000 HIS 249 0.900 -26.709 -15.983 -21.496 -99.200 -91.000 TYR 254 0.840 -17.983 -1.576 -29.187 -99.200 -91.000 PHE 259 1.000 -15.895 -2.056 -24.931 -99.200 -91.000 HIS 286 0.900 -11.129 5.236 -31.488 -99.200 -91.000 PHE 292 1.000 -5.042 -0.733 -20.919 -99.200 -91.000 TYR 307 0.840 0.193 11.720 -37.633 -99.200 -91.000 HIS 319 0.900 -16.638 9.392 -33.806 -99.200 -91.000 PHE 329 1.000 -14.406 13.813 -25.194 -99.200 -91.000 PHE 330 1.000 -9.882 9.987 -25.558 -99.200 -91.000 TYR 331 0.840 -9.352 15.569 -18.154 -99.200 -91.000 PHE 366 1.000 -8.328 17.547 -33.686 -99.200 -91.000 PHE 395 1.000 -1.389 19.860 -48.367 -99.200 -91.000 TYR 398 0.840 -1.040 16.385 -42.967 -99.200 -91.000 TYR 401 0.840 -8.302 24.697 -40.424 -99.200 -91.000 PHE 403 1.000 -9.964 18.692 -38.763 -99.200 -91.000 PHE 424 1.000 -3.812 13.780 -47.458 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hy1A1 SER 1 HA 0.05 -0.01 0.17 -0.75 4.49 3.94 3hy1A1 SER 1 HB2 0.03 -0.11 -0.08 -0.04 3.95 3.74 3hy1A1 SER 1 HB3 -0.02 0.15 0.02 -0.04 3.93 4.04 3hy1A1 LYS 2 H -0.04 0.18 0.03 -0.55 8.42 8.04 3hy1A1 LYS 2 HA -0.00 0.04 0.66 -0.75 4.32 4.26 3hy1A1 LYS 2 HB2 -0.10 0.02 0.08 -0.04 1.87 1.84 3hy1A1 LYS 2 HB3 -0.05 -0.06 -0.09 -0.04 1.79 1.55 3hy1A1 LYS 2 HG2 0.03 0.05 -0.02 -0.04 1.46 1.48 3hy1A1 LYS 2 HG3 0.07 0.04 -0.03 -0.04 1.46 1.50 3hy1A1 LYS 2 HD2 0.07 -0.08 -0.09 -0.04 1.69 1.56 3hy1A1 LYS 2 HD3 0.03 -0.02 0.03 -0.04 1.68 1.68 3hy1A1 LYS 2 HE2 0.04 0.05 -0.03 -0.04 2.99 3.01 3hy1A1 LYS 2 HE3 0.11 0.07 -0.04 -0.04 2.99 3.08 3hy1A1 SER 3 H -0.01 0.11 0.19 -0.55 8.46 8.21 3hy1A1 SER 3 HA -0.02 0.19 0.61 -0.75 4.49 4.51 3hy1A1 SER 3 HB2 -0.01 -0.04 0.15 -0.04 3.95 4.01 3hy1A1 SER 3 HB3 -0.00 0.21 0.13 -0.04 3.93 4.23 3hy1A1 THR 4 H -0.03 0.15 0.19 -0.55 8.28 8.05 3hy1A1 THR 4 HA -0.06 0.13 0.38 -0.75 4.39 4.08 3hy1A1 THR 4 HB -0.03 0.01 0.16 -0.04 4.32 4.42 3hy1A1 THR 4 HG23 -0.05 0.02 -0.08 -0.04 1.22 1.08 3hy1A1 ALA 5 H -0.02 0.12 -0.13 -0.55 8.40 7.83 3hy1A1 ALA 5 HA -0.00 0.07 0.43 -0.75 4.34 4.08 3hy1A1 ALA 5 HB3 0.00 0.04 0.05 -0.04 1.41 1.46 3hy1A1 GLU 6 H 0.00 0.09 -0.31 -0.55 8.60 7.84 3hy1A1 GLU 6 HA 0.05 0.07 0.51 -0.75 4.29 4.17 3hy1A1 GLU 6 HB2 0.01 0.05 0.17 -0.04 2.09 2.28 3hy1A1 GLU 6 HB3 0.05 0.07 0.03 -0.04 1.99 2.10 3hy1A1 GLU 6 HG2 0.03 0.05 0.05 -0.04 2.34 2.42 3hy1A1 GLU 6 HG3 0.01 -0.10 0.04 -0.04 2.34 2.26 3hy1A1 ILE 7 H -0.01 0.56 -0.17 -0.55 8.25 8.08 3hy1A1 ILE 7 HA 0.10 0.08 0.39 -0.75 4.18 3.99 3hy1A1 ILE 7 HB -0.09 0.07 0.09 -0.04 1.89 1.92 3hy1A1 ILE 7 HG12 -0.29 0.03 -0.11 -0.04 1.49 1.08 3hy1A1 ILE 7 HG13 -0.09 0.06 -0.22 -0.04 1.21 0.92 3hy1A1 ILE 7 HG23 -0.25 -0.01 -0.14 -0.04 0.93 0.49 3hy1A1 ILE 7 HD13 -0.18 0.01 -0.23 -0.04 0.88 0.43 3hy1A1 ARG 8 H 0.00 0.50 -0.08 -0.55 8.46 8.33 3hy1A1 ARG 8 HA 0.02 0.01 0.41 -0.75 4.34 4.02 3hy1A1 ARG 8 HB2 -0.03 0.00 0.10 -0.04 1.90 1.93 3hy1A1 ARG 8 HB3 0.02 0.10 0.10 -0.04 1.80 1.97 3hy1A1 ARG 8 HG2 0.04 0.00 -0.12 -0.04 1.67 1.56 3hy1A1 ARG 8 HG3 -0.04 -0.05 0.02 -0.04 1.67 1.56 3hy1A1 ARG 8 HD2 0.01 0.02 -0.04 -0.04 3.22 3.17 3hy1A1 ARG 8 HD3 0.00 0.01 -0.03 -0.04 3.22 3.16 3hy1A1 GLN 9 H 0.07 0.39 -0.30 -0.55 8.47 8.09 3hy1A1 GLN 9 HA 0.09 0.01 0.44 -0.75 4.36 4.15 3hy1A1 GLN 9 HB2 0.06 0.05 0.15 -0.04 2.15 2.37 3hy1A1 GLN 9 HB3 0.09 0.13 0.19 -0.04 2.02 2.39 3hy1A1 GLN 9 HG2 0.06 0.00 -0.01 -0.04 2.40 2.42 3hy1A1 GLN 9 HG3 0.09 -0.01 -0.16 -0.04 2.39 2.27 3hy1A1 GLN 9 HE21 0.02 0.00 -0.01 -0.04 6.97 6.95 3hy1A1 GLN 9 HE22 0.05 0.01 -0.02 -0.04 7.69 7.68 3hy1A1 ALA 10 H 0.18 0.65 -0.03 -0.55 8.40 8.65 3hy1A1 ALA 10 HA 0.30 0.00 0.34 -0.75 4.34 4.23 3hy1A1 ALA 10 HB3 0.39 0.03 0.09 -0.04 1.41 1.88 3hy1A1 PHE 11 H 0.32 0.59 -0.23 -0.55 8.34 8.46 3hy1A1 PHE 11 HA -0.08 0.02 0.35 -0.75 4.62 4.16 3hy1A1 PHE 11 HB2 0.06 0.05 0.07 -0.04 3.15 3.28 3hy1A1 PHE 11 HB3 0.03 0.08 0.11 -0.04 3.06 3.23 3hy1A1 PHE 11 HD2 -0.04 0.05 -0.21 -0.04 7.28 7.04 3hy1A1 PHE 11 HE2 -0.23 0.06 -0.15 -0.04 7.38 7.01 3hy1A1 PHE 11 HZ -0.21 -0.11 -0.55 -0.04 7.32 6.41 3hy1A1 LEU 12 H 0.26 0.52 -0.16 -0.55 8.37 8.45 3hy1A1 LEU 12 HA 0.16 0.00 0.35 -0.75 4.35 4.11 3hy1A1 LEU 12 HB2 0.13 0.12 0.15 -0.04 1.64 2.00 3hy1A1 LEU 12 HB3 0.10 -0.04 -0.03 -0.04 1.64 1.63 3hy1A1 LEU 12 HG 0.27 0.03 -0.02 -0.04 1.64 1.89 3hy1A1 LEU 12 HD13 0.08 -0.02 -0.05 -0.04 0.93 0.90 3hy1A1 LEU 12 HD23 0.18 -0.04 -0.21 -0.04 0.89 0.77 3hy1A1 ASP 13 H 0.11 0.66 -0.15 -0.55 8.40 8.47 3hy1A1 ASP 13 HA 0.09 0.01 0.44 -0.75 4.63 4.41 3hy1A1 ASP 13 HB2 0.20 0.14 0.15 -0.04 2.71 3.15 3hy1A1 ASP 13 HB3 0.20 -0.05 -0.05 -0.04 2.70 2.76 3hy1A1 PHE 14 H -0.07 0.72 -0.08 -0.55 8.34 8.36 3hy1A1 PHE 14 HA -0.52 0.01 0.35 -0.75 4.62 3.70 3hy1A1 PHE 14 HB2 -1.83 0.02 0.09 -0.04 3.15 1.39 3hy1A1 PHE 14 HB3 -0.92 0.11 0.17 -0.04 3.06 2.38 3hy1A1 PHE 14 HD2 -2.30 0.02 -0.12 -0.04 7.28 4.84 3hy1A1 PHE 14 HE2 -1.13 -0.03 -0.11 -0.04 7.38 6.06 3hy1A1 PHE 14 HZ -0.33 -0.01 -0.00 -0.04 7.32 6.94 3hy1A1 PHE 15 H -0.22 0.49 -0.23 -0.55 8.34 7.83 3hy1A1 PHE 15 HA -0.65 0.04 0.44 -0.75 4.62 3.69 3hy1A1 PHE 15 HB2 -0.43 0.14 0.04 -0.04 3.15 2.87 3hy1A1 PHE 15 HB3 -0.53 -0.05 -0.09 -0.04 3.06 2.34 3hy1A1 PHE 15 HD2 -1.29 0.08 -0.06 -0.04 7.28 5.98 3hy1A1 PHE 15 HE2 -0.39 -0.02 -0.12 -0.04 7.38 6.81 3hy1A1 PHE 15 HZ 0.27 -0.02 -0.17 -0.04 7.32 7.35 3hy1A1 HIS 16 H 0.04 0.37 -0.38 -0.55 8.41 7.90 3hy1A1 HIS 16 HA 0.01 0.27 0.60 -0.75 4.63 4.76 3hy1A1 HIS 16 HB2 0.01 0.03 0.14 -0.04 3.26 3.40 3hy1A1 HIS 16 HB3 -0.02 0.11 0.22 -0.04 3.20 3.47 3hy1A1 HIS 16 HD2 0.00 0.04 0.11 -0.04 6.97 7.07 3hy1A1 HIS 16 HE1 0.00 -0.03 -0.04 -0.04 7.75 7.64 3hy1A1 SER 17 H -0.11 0.58 -0.08 -0.55 8.46 8.30 3hy1A1 SER 17 HA -0.18 0.03 0.48 -0.75 4.49 4.06 3hy1A1 SER 17 HB2 -0.07 -0.06 0.08 -0.04 3.95 3.85 3hy1A1 SER 17 HB3 -0.00 -0.00 0.11 -0.04 3.93 3.99 3hy1A1 LYS 18 H -0.38 0.27 -0.46 -0.55 8.42 7.29 3hy1A1 LYS 18 HA -0.23 0.09 0.58 -0.75 4.32 4.00 3hy1A1 LYS 18 HB2 -0.43 0.04 0.07 -0.04 1.87 1.52 3hy1A1 LYS 18 HB3 -0.64 -0.08 0.14 -0.04 1.79 1.16 3hy1A1 LYS 18 HG2 -1.20 0.37 0.06 -0.04 1.46 0.64 3hy1A1 LYS 18 HG3 -1.43 -0.09 -0.04 -0.04 1.46 -0.14 3hy1A1 LYS 18 HD2 -0.07 -0.06 -0.03 -0.04 1.69 1.50 3hy1A1 LYS 18 HD3 -0.30 0.04 -0.18 -0.04 1.68 1.20 3hy1A1 LYS 18 HE2 -0.62 0.03 -0.06 -0.04 2.99 2.30 3hy1A1 LYS 18 HE3 -0.53 -0.03 -0.06 -0.04 2.99 2.33 3hy1A1 GLY 19 H -0.22 0.39 -0.85 -0.55 8.43 7.20 3hy1A1 GLY 19 HA2 -0.18 0.03 0.23 -0.51 4.01 3.58 3hy1A1 GLY 19 HA3 -0.15 -0.01 0.34 -0.51 4.01 3.68 3hy1A1 HIS 20 H 0.02 0.53 -0.05 -0.55 8.41 8.37 3hy1A1 HIS 20 HA -0.01 0.09 0.56 -0.75 4.63 4.51 3hy1A1 HIS 20 HB2 -0.01 0.10 -0.36 -0.04 3.26 2.96 3hy1A1 HIS 20 HB3 -0.03 -0.12 -0.49 -0.04 3.20 2.52 3hy1A1 HIS 20 HD2 -0.07 0.04 -0.03 -0.04 6.97 6.87 3hy1A1 HIS 20 HE1 -0.54 -0.04 -0.08 -0.04 7.75 7.05 3hy1A1 GLN 21 H 0.02 0.61 0.32 -0.55 8.47 8.88 3hy1A1 GLN 21 HA 0.03 0.07 0.63 -0.75 4.36 4.33 3hy1A1 GLN 21 HB2 -0.12 0.02 0.15 -0.04 2.15 2.16 3hy1A1 GLN 21 HB3 -0.44 0.02 0.25 -0.04 2.02 1.82 3hy1A1 GLN 21 HG2 -0.95 -0.07 -0.06 -0.04 2.40 1.28 3hy1A1 GLN 21 HG3 -0.40 -0.01 -0.46 -0.04 2.39 1.47 3hy1A1 GLN 21 HE21 -0.01 -0.05 0.06 -0.04 6.97 6.93 3hy1A1 GLN 21 HE22 -0.07 0.37 -0.05 -0.04 7.69 7.91 3hy1A1 VAL 22 H 0.06 0.16 0.19 -0.55 8.24 8.11 3hy1A1 VAL 22 HA 0.07 0.23 0.73 -0.75 4.13 4.41 3hy1A1 VAL 22 HB 0.01 -0.05 0.18 -0.04 2.12 2.21 3hy1A1 VAL 22 HG13 0.04 -0.01 -0.15 -0.04 0.97 0.81 3hy1A1 VAL 22 HG23 0.06 0.02 0.02 -0.04 0.95 1.01 3hy1A1 VAL 23 H 0.11 0.45 0.31 -0.55 8.24 8.56 3hy1A1 VAL 23 HA 0.04 0.14 0.92 -0.75 4.13 4.47 3hy1A1 VAL 23 HB 0.33 -0.04 -0.01 -0.04 2.12 2.36 3hy1A1 VAL 23 HG13 0.16 0.06 -0.06 -0.04 0.97 1.09 3hy1A1 VAL 23 HG23 0.02 0.03 -0.16 -0.04 0.95 0.80 3hy1A1 ALA 24 H 0.05 0.12 0.12 -0.55 8.40 8.14 3hy1A1 ALA 24 HA 0.04 0.02 0.52 -0.75 4.34 4.17 3hy1A1 ALA 24 HB3 0.03 0.02 0.09 -0.04 1.41 1.51 3hy1A1 SER 25 H 0.03 0.09 0.20 -0.55 8.46 8.22 3hy1A1 SER 25 HA 0.00 -0.04 0.51 -0.75 4.49 4.21 3hy1A1 SER 25 HB2 -0.01 0.18 0.11 -0.04 3.95 4.19 3hy1A1 SER 25 HB3 0.00 -0.02 0.21 -0.04 3.93 4.08 3hy1A1 SER 26 H -0.06 0.01 0.18 -0.55 8.46 8.04 3hy1A1 SER 26 HA -0.01 0.13 0.61 -0.75 4.49 4.46 3hy1A1 SER 26 HB2 -0.03 -0.00 0.18 -0.04 3.95 4.05 3hy1A1 SER 26 HB3 -0.10 0.01 0.13 -0.04 3.93 3.93 3hy1A1 SER 27 H 0.03 0.09 0.17 -0.55 8.46 8.21 3hy1A1 SER 27 HA 0.04 0.13 0.63 -0.75 4.49 4.53 3hy1A1 SER 27 HB2 0.06 -0.01 0.22 -0.04 3.95 4.18 3hy1A1 SER 27 HB3 0.07 0.03 0.17 -0.04 3.93 4.16 3hy1A1 LEU 28 H 0.03 0.17 0.14 -0.55 8.37 8.16 3hy1A1 LEU 28 HA -0.01 0.08 0.46 -0.75 4.35 4.12 3hy1A1 LEU 28 HB2 -0.05 0.04 0.03 -0.04 1.64 1.63 3hy1A1 LEU 28 HB3 -0.14 -0.04 0.07 -0.04 1.64 1.49 3hy1A1 LEU 28 HG 0.04 0.00 -0.03 -0.04 1.64 1.60 3hy1A1 LEU 28 HD13 0.12 0.02 -0.22 -0.04 0.93 0.80 3hy1A1 LEU 28 HD23 -0.11 0.02 -0.27 -0.04 0.89 0.49 3hy1A1 VAL 29 H 0.02 0.05 -0.25 -0.55 8.24 7.51 3hy1A1 VAL 29 HA 0.09 0.23 0.73 -0.75 4.13 4.42 3hy1A1 VAL 29 HB -0.06 -0.03 0.07 -0.04 2.12 2.07 3hy1A1 VAL 29 HG13 -0.21 0.01 -0.17 -0.04 0.97 0.56 3hy1A1 VAL 29 HG23 0.08 -0.00 -0.10 -0.04 0.95 0.89 3hy1A1 PRO 30 HA -0.07 0.04 0.65 -0.51 4.44 4.54 3hy1A1 PRO 30 HB2 -0.02 -0.12 0.01 -0.04 2.28 2.11 3hy1A1 PRO 30 HB3 -0.00 -0.05 -0.11 -0.04 2.02 1.82 3hy1A1 PRO 30 HG2 -0.03 0.31 0.10 -0.04 2.03 2.37 3hy1A1 PRO 30 HG3 0.02 -0.12 -0.39 -0.04 2.03 1.49 3hy1A1 PRO 30 HD2 -0.04 0.14 0.14 -0.04 3.68 3.88 3hy1A1 PRO 30 HD3 0.10 0.22 0.18 -0.04 3.65 4.10 3hy1A1 HIS 31 H 0.00 0.16 0.15 -0.55 8.41 8.18 3hy1A1 HIS 31 HA 0.02 0.23 0.67 -0.75 4.63 4.79 3hy1A1 HIS 31 HB2 0.00 -0.02 0.03 -0.04 3.26 3.23 3hy1A1 HIS 31 HB3 0.01 0.02 0.08 -0.04 3.20 3.27 3hy1A1 HIS 31 HD2 0.02 0.01 -0.07 -0.04 6.97 6.88 3hy1A1 HIS 31 HE1 0.02 0.01 -0.00 -0.04 7.75 7.74 3hy1A1 ASN 32 H 0.03 -0.04 -0.09 -0.55 8.53 7.88 3hy1A1 ASN 32 HA 0.03 0.17 0.68 -0.75 4.76 4.89 3hy1A1 ASN 32 HB2 0.01 -0.02 -0.02 -0.04 2.88 2.81 3hy1A1 ASN 32 HB3 0.01 0.01 0.06 -0.04 2.79 2.82 3hy1A1 ASN 32 HD21 -0.04 0.00 0.04 -0.04 7.03 6.99 3hy1A1 ASN 32 HD22 -0.02 0.05 0.02 -0.04 7.74 7.75 3hy1A1 ASP 33 H 0.01 0.08 -0.11 -0.55 8.40 7.84 3hy1A1 ASP 33 HA 0.02 0.32 0.38 -0.75 4.63 4.60 3hy1A1 ASP 33 HB2 0.02 -0.07 -0.03 -0.04 2.71 2.58 3hy1A1 ASP 33 HB3 0.02 -0.07 0.09 -0.04 2.70 2.70 3hy1A1 PRO 34 HA -0.00 0.21 0.55 -0.51 4.44 4.69 3hy1A1 PRO 34 HB2 0.01 0.01 -0.03 -0.04 2.28 2.23 3hy1A1 PRO 34 HB3 0.02 0.06 0.07 -0.04 2.02 2.13 3hy1A1 PRO 34 HG2 0.01 -0.00 0.02 -0.04 2.03 2.02 3hy1A1 PRO 34 HG3 0.02 0.08 0.02 -0.04 2.03 2.11 3hy1A1 PRO 34 HD2 0.02 0.09 0.19 -0.04 3.68 3.93 3hy1A1 PRO 34 HD3 0.03 0.27 -0.09 -0.04 3.65 3.82 3hy1A1 THR 35 H 0.01 0.08 -0.11 -0.55 8.28 7.72 3hy1A1 THR 35 HA 0.00 0.07 0.27 -0.75 4.39 3.98 3hy1A1 THR 35 HB 0.01 -0.02 -0.15 -0.04 4.32 4.12 3hy1A1 THR 35 HG23 0.01 0.01 0.03 -0.04 1.22 1.22 3hy1A1 LEU 36 H -0.01 0.21 -0.80 -0.55 8.37 7.22 3hy1A1 LEU 36 HA -0.00 0.03 0.47 -0.75 4.35 4.09 3hy1A1 LEU 36 HB2 0.02 -0.08 -0.10 -0.04 1.64 1.44 3hy1A1 LEU 36 HB3 0.01 0.16 -0.04 -0.04 1.64 1.72 3hy1A1 LEU 36 HG 0.04 0.12 -0.22 -0.04 1.64 1.53 3hy1A1 LEU 36 HD13 0.06 -0.09 0.10 -0.04 0.93 0.96 3hy1A1 LEU 36 HD23 0.06 -0.03 -0.02 -0.04 0.89 0.86 3hy1A1 LEU 37 H -0.06 0.05 0.14 -0.55 8.37 7.95 3hy1A1 LEU 37 HA -0.26 0.11 0.48 -0.75 4.35 3.92 3hy1A1 LEU 37 HB2 -0.18 -0.02 0.07 -0.04 1.64 1.47 3hy1A1 LEU 37 HB3 -0.22 -0.03 0.10 -0.04 1.64 1.45 3hy1A1 LEU 37 HG -1.55 0.05 -0.20 -0.04 1.64 -0.10 3hy1A1 LEU 37 HD13 -0.30 0.00 -0.06 -0.04 0.93 0.54 3hy1A1 LEU 37 HD23 -0.19 -0.02 -0.11 -0.04 0.89 0.52 3hy1A1 PHE 38 H 0.01 0.14 0.11 -0.55 8.34 8.05 3hy1A1 PHE 38 HA -0.01 0.38 0.86 -0.75 4.62 5.10 3hy1A1 PHE 38 HB2 0.03 0.02 0.02 -0.04 3.15 3.19 3hy1A1 PHE 38 HB3 0.01 0.02 0.14 -0.04 3.06 3.19 3hy1A1 PHE 38 HD2 0.03 0.06 0.03 -0.04 7.28 7.36 3hy1A1 PHE 38 HE2 0.03 -0.04 -0.09 -0.04 7.38 7.23 3hy1A1 PHE 38 HZ 0.03 0.04 -0.04 -0.04 7.32 7.31 3hy1A1 THR 39 H 0.12 0.61 0.26 -0.55 8.28 8.73 3hy1A1 THR 39 HA 0.03 -0.06 0.57 -0.75 4.39 4.18 3hy1A1 THR 39 HB -0.04 0.01 0.16 -0.04 4.32 4.41 3hy1A1 THR 39 HG23 -0.06 -0.05 -0.10 -0.04 1.22 0.96 3hy1A1 ASN 40 H 0.03 0.04 0.28 -0.55 8.53 8.33 3hy1A1 ASN 40 HA -0.01 0.17 0.84 -0.75 4.76 5.01 3hy1A1 ASN 40 HB2 -0.01 -0.02 0.13 -0.04 2.88 2.93 3hy1A1 ASN 40 HB3 0.11 0.11 0.01 -0.04 2.79 2.99 3hy1A1 ASN 40 HD21 -0.04 0.07 -0.03 -0.04 7.03 6.99 3hy1A1 ASN 40 HD22 -0.22 -0.02 -0.38 -0.04 7.74 7.07 3hy1A1 ALA 41 H -0.00 0.11 0.13 -0.55 8.40 8.09 3hy1A1 ALA 41 HA -0.01 0.18 0.52 -0.75 4.34 4.28 3hy1A1 ALA 41 HB3 0.11 0.05 -0.07 -0.04 1.41 1.45 3hy1A1 GLY 42 H 0.05 0.25 0.06 -0.55 8.43 8.24 3hy1A1 GLY 42 HA2 0.06 0.08 0.37 -0.51 4.01 4.01 3hy1A1 GLY 42 HA3 0.28 0.13 0.28 -0.51 4.01 4.20 3hy1A1 MET 43 H 0.18 0.08 -0.37 -0.55 8.47 7.81 3hy1A1 MET 43 HA 0.12 0.16 0.35 -0.75 4.52 4.40 3hy1A1 MET 43 HB2 0.43 0.05 -0.06 -0.04 2.15 2.53 3hy1A1 MET 43 HB3 0.36 0.04 -0.06 -0.04 2.03 2.33 3hy1A1 MET 43 HG2 0.09 0.09 -0.14 -0.04 2.63 2.63 3hy1A1 MET 43 HG3 0.16 -0.15 -0.12 -0.04 2.56 2.41 3hy1A1 MET 43 HE3 0.24 0.01 -0.14 -0.04 2.10 2.17 3hy1A1 ASN 44 H 0.07 0.34 -0.45 -0.55 8.53 7.94 3hy1A1 ASN 44 HA 0.10 0.06 0.26 -0.75 4.76 4.43 3hy1A1 ASN 44 HB2 -0.01 0.12 0.13 -0.04 2.88 3.07 3hy1A1 ASN 44 HB3 0.01 0.00 -0.01 -0.04 2.79 2.75 3hy1A1 ASN 44 HD21 0.15 0.09 -0.01 -0.04 7.03 7.21 3hy1A1 ASN 44 HD22 0.15 -0.03 -0.07 -0.04 7.74 7.74 3hy1A1 GLN 45 H -0.22 0.23 -0.20 -0.55 8.47 7.73 3hy1A1 GLN 45 HA -0.17 0.06 0.46 -0.75 4.36 3.96 3hy1A1 GLN 45 HB2 -0.37 0.04 0.11 -0.04 2.15 1.88 3hy1A1 GLN 45 HB3 -0.26 -0.04 0.10 -0.04 2.02 1.78 3hy1A1 GLN 45 HG2 -0.65 0.06 0.01 -0.04 2.40 1.78 3hy1A1 GLN 45 HG3 -2.06 0.04 -0.27 -0.04 2.39 0.06 3hy1A1 GLN 45 HE21 -0.07 0.32 -0.05 -0.04 6.97 7.13 3hy1A1 GLN 45 HE22 -0.20 -0.00 -0.01 -0.04 7.69 7.44 3hy1A1 PHE 46 H -0.10 0.42 -0.58 -0.55 8.34 7.53 3hy1A1 PHE 46 HA -0.19 0.18 0.82 -0.75 4.62 4.68 3hy1A1 PHE 46 HB2 -0.06 0.07 0.00 -0.04 3.15 3.12 3hy1A1 PHE 46 HB3 -0.45 -0.03 0.08 -0.04 3.06 2.62 3hy1A1 PHE 46 HD2 -0.50 0.01 -0.09 -0.04 7.28 6.66 3hy1A1 PHE 46 HE2 -0.11 0.01 -0.13 -0.04 7.38 7.11 3hy1A1 PHE 46 HZ 0.06 0.01 -0.14 -0.04 7.32 7.21 3hy1A1 LYS 47 H 0.09 0.41 -0.22 -0.55 8.42 8.15 3hy1A1 LYS 47 HA 0.39 0.04 0.31 -0.75 4.32 4.32 3hy1A1 LYS 47 HB2 0.14 0.03 0.14 -0.04 1.87 2.14 3hy1A1 LYS 47 HB3 0.08 -0.01 0.11 -0.04 1.79 1.93 3hy1A1 LYS 47 HG2 0.14 -0.02 -0.29 -0.04 1.46 1.25 3hy1A1 LYS 47 HG3 0.14 -0.01 0.01 -0.04 1.46 1.57 3hy1A1 LYS 47 HD2 0.07 -0.03 -0.07 -0.04 1.69 1.63 3hy1A1 LYS 47 HD3 0.06 0.02 -0.10 -0.04 1.68 1.63 3hy1A1 LYS 47 HE2 0.08 -0.00 -0.10 -0.04 2.99 2.92 3hy1A1 LYS 47 HE3 0.08 -0.01 -0.09 -0.04 2.99 2.93 3hy1A1 ASP 48 H 0.04 0.18 -0.22 -0.55 8.40 7.85 3hy1A1 ASP 48 HA 0.06 0.09 0.39 -0.75 4.63 4.42 3hy1A1 ASP 48 HB2 -0.01 0.06 -0.01 -0.04 2.71 2.70 3hy1A1 ASP 48 HB3 -0.01 -0.04 -0.00 -0.04 2.70 2.61 3hy1A1 VAL 49 H -0.09 0.27 -0.45 -0.55 8.24 7.43 3hy1A1 VAL 49 HA -0.21 0.39 0.66 -0.75 4.13 4.22 3hy1A1 VAL 49 HB -0.74 0.08 0.11 -0.04 2.12 1.52 3hy1A1 VAL 49 HG13 -0.98 0.02 -0.02 -0.04 0.97 -0.05 3hy1A1 VAL 49 HG23 -0.28 -0.03 -0.06 -0.04 0.95 0.54 3hy1A1 PHE 50 H -0.08 0.40 -0.03 -0.55 8.34 8.08 3hy1A1 PHE 50 HA 0.12 0.08 0.42 -0.75 4.62 4.48 3hy1A1 PHE 50 HB2 0.11 0.12 0.11 -0.04 3.15 3.45 3hy1A1 PHE 50 HB3 0.12 -0.01 -0.01 -0.04 3.06 3.12 3hy1A1 PHE 50 HD2 0.18 0.05 -0.04 -0.04 7.28 7.43 3hy1A1 PHE 50 HE2 0.18 0.01 -0.11 -0.04 7.38 7.42 3hy1A1 PHE 50 HZ 0.30 -0.06 -0.06 -0.04 7.32 7.47 3hy1A1 LEU 51 H 0.15 0.15 -0.33 -0.55 8.37 7.80 3hy1A1 LEU 51 HA 0.11 0.09 0.48 -0.75 4.35 4.28 3hy1A1 LEU 51 HB2 0.06 -0.06 0.11 -0.04 1.64 1.72 3hy1A1 LEU 51 HB3 0.06 0.01 0.04 -0.04 1.64 1.72 3hy1A1 LEU 51 HG 0.15 0.20 0.05 -0.04 1.64 2.00 3hy1A1 LEU 51 HD13 0.07 -0.03 -0.06 -0.04 0.93 0.88 3hy1A1 LEU 51 HD23 0.11 -0.01 -0.09 -0.04 0.89 0.86 3hy1A1 GLY 52 H 0.01 0.26 -0.46 -0.55 8.43 7.69 3hy1A1 GLY 52 HA2 -0.03 0.09 0.29 -0.51 4.01 3.86 3hy1A1 GLY 52 HA3 0.00 0.12 0.71 -0.51 4.01 4.33 3hy1A1 LEU 53 H 0.00 0.15 -0.06 -0.55 8.37 7.92 3hy1A1 LEU 53 HA -0.01 0.11 0.54 -0.75 4.35 4.24 3hy1A1 LEU 53 HB2 0.01 -0.07 0.11 -0.04 1.64 1.64 3hy1A1 LEU 53 HB3 0.00 -0.03 0.02 -0.04 1.64 1.59 3hy1A1 LEU 53 HG 0.02 0.01 -0.11 -0.04 1.64 1.52 3hy1A1 LEU 53 HD13 0.03 -0.02 -0.01 -0.04 0.93 0.89 3hy1A1 LEU 53 HD23 0.01 0.02 -0.07 -0.04 0.89 0.81 3hy1A1 ASP 54 H -0.06 0.46 -0.17 -0.55 8.40 8.09 3hy1A1 ASP 54 HA -0.06 0.17 0.82 -0.75 4.63 4.81 3hy1A1 ASP 54 HB2 -0.05 0.03 -0.15 -0.04 2.71 2.50 3hy1A1 ASP 54 HB3 -0.07 -0.21 -0.35 -0.04 2.70 2.03 3hy1A1 LYS 55 H -0.09 0.18 0.11 -0.55 8.42 8.07 3hy1A1 LYS 55 HA -0.17 0.21 0.80 -0.75 4.32 4.40 3hy1A1 LYS 55 HB2 -0.07 0.01 -0.04 -0.04 1.87 1.72 3hy1A1 LYS 55 HB3 -0.08 -0.02 -0.05 -0.04 1.79 1.59 3hy1A1 LYS 55 HG2 -0.06 -0.03 -0.05 -0.04 1.46 1.27 3hy1A1 LYS 55 HG3 -0.10 0.04 0.02 -0.04 1.46 1.38 3hy1A1 LYS 55 HD2 -0.08 0.02 -0.37 -0.04 1.69 1.22 3hy1A1 LYS 55 HD3 -0.05 0.01 -0.13 -0.04 1.68 1.47 3hy1A1 LYS 55 HE2 -0.05 -0.04 -0.02 -0.04 2.99 2.84 3hy1A1 LYS 55 HE3 -0.06 0.02 -0.02 -0.04 2.99 2.90 3hy1A1 ARG 56 H -0.27 0.27 0.21 -0.55 8.46 8.12 3hy1A1 ARG 56 HA -0.27 0.19 0.98 -0.75 4.34 4.49 3hy1A1 ARG 56 HB2 -0.76 0.23 0.08 -0.04 1.90 1.41 3hy1A1 ARG 56 HB3 -1.29 -0.13 0.13 -0.04 1.80 0.47 3hy1A1 ARG 56 HG2 -0.42 -0.01 -0.30 -0.04 1.67 0.90 3hy1A1 ARG 56 HG3 -0.59 0.00 -0.08 -0.04 1.67 0.96 3hy1A1 ARG 56 HD2 -0.09 -0.03 -0.05 -0.04 3.22 3.01 3hy1A1 ARG 56 HD3 -0.20 0.11 -0.09 -0.04 3.22 3.00 3hy1A1 ASN 57 H -0.28 0.13 0.16 -0.55 8.53 8.00 3hy1A1 ASN 57 HA -0.06 0.19 0.66 -0.75 4.76 4.80 3hy1A1 ASN 57 HB2 0.05 -0.03 0.12 -0.04 2.88 2.98 3hy1A1 ASN 57 HB3 0.07 0.02 0.12 -0.04 2.79 2.96 3hy1A1 ASN 57 HD21 0.01 0.00 0.01 -0.04 7.03 7.01 3hy1A1 ASN 57 HD22 0.04 -0.01 0.03 -0.04 7.74 7.76 3hy1A1 TYR 58 H -0.65 0.05 -0.18 -0.55 8.29 6.96 3hy1A1 TYR 58 HA 0.03 0.21 0.89 -0.75 4.56 4.93 3hy1A1 TYR 58 HB2 0.07 0.09 0.12 -0.04 3.06 3.30 3hy1A1 TYR 58 HB3 0.05 0.06 0.07 -0.04 2.98 3.12 3hy1A1 TYR 58 HD2 0.14 0.01 -0.24 -0.04 7.15 7.03 3hy1A1 TYR 58 HE2 0.05 0.00 -0.07 -0.04 6.85 6.80 3hy1A1 SER 59 H 0.14 0.17 0.20 -0.55 8.46 8.41 3hy1A1 SER 59 HA 0.20 0.26 0.88 -0.75 4.49 5.08 3hy1A1 SER 59 HB2 0.05 0.09 0.09 -0.04 3.95 4.13 3hy1A1 SER 59 HB3 0.05 0.04 0.01 -0.04 3.93 3.99 3hy1A1 ARG 60 H 0.14 0.13 0.17 -0.55 8.46 8.35 3hy1A1 ARG 60 HA -0.29 0.16 0.61 -0.75 4.34 4.07 3hy1A1 ARG 60 HB2 -0.18 0.06 0.11 -0.04 1.90 1.85 3hy1A1 ARG 60 HB3 -0.09 -0.04 0.24 -0.04 1.80 1.87 3hy1A1 ARG 60 HG2 -0.13 -0.02 0.15 -0.04 1.67 1.63 3hy1A1 ARG 60 HG3 -0.64 0.11 -0.19 -0.04 1.67 0.91 3hy1A1 ARG 60 HD2 0.04 -0.06 -0.11 -0.04 3.22 3.05 3hy1A1 ARG 60 HD3 -0.01 -0.08 -0.08 -0.04 3.22 3.01 3hy1A1 ALA 61 H -0.03 0.46 0.32 -0.55 8.40 8.61 3hy1A1 ALA 61 HA 0.07 0.22 0.95 -0.75 4.34 4.83 3hy1A1 ALA 61 HB3 0.07 -0.02 -0.04 -0.04 1.41 1.38 3hy1A1 THR 62 H 0.12 0.61 0.25 -0.55 8.28 8.71 3hy1A1 THR 62 HA 0.02 0.20 0.87 -0.75 4.39 4.72 3hy1A1 THR 62 HB -0.29 -0.01 -0.13 -0.04 4.32 3.85 3hy1A1 THR 62 HG23 0.10 -0.00 -0.24 -0.04 1.22 1.03 3hy1A1 THR 63 H 0.24 0.52 0.35 -0.55 8.28 8.84 3hy1A1 THR 63 HA 0.17 0.26 0.98 -0.75 4.39 5.05 3hy1A1 THR 63 HB 0.17 -0.03 -0.03 -0.04 4.32 4.40 3hy1A1 THR 63 HG23 0.43 0.03 -0.26 -0.04 1.22 1.37 3hy1A1 SER 64 H 0.07 0.23 0.10 -0.55 8.46 8.31 3hy1A1 SER 64 HA -0.08 0.28 0.84 -0.75 4.49 4.77 3hy1A1 SER 64 HB2 -0.00 0.05 0.05 -0.04 3.95 4.00 3hy1A1 SER 64 HB3 -0.00 -0.01 0.21 -0.04 3.93 4.09 3hy1A1 GLN 65 H -0.05 0.43 0.07 -0.55 8.47 8.38 3hy1A1 GLN 65 HA -0.07 0.07 0.54 -0.75 4.36 4.14 3hy1A1 GLN 65 HB2 0.03 0.01 0.07 -0.04 2.15 2.22 3hy1A1 GLN 65 HB3 -0.07 -0.10 0.04 -0.04 2.02 1.85 3hy1A1 GLN 65 HG2 -0.07 -0.06 -0.33 -0.04 2.40 1.90 3hy1A1 GLN 65 HG3 -0.16 0.30 -0.41 -0.04 2.39 2.08 3hy1A1 GLN 65 HE21 -0.06 0.03 0.03 -0.04 6.97 6.94 3hy1A1 GLN 65 HE22 -0.10 0.30 -0.03 -0.04 7.69 7.82 3hy1A1 ARG 66 H -0.16 0.19 0.20 -0.55 8.46 8.13 3hy1A1 ARG 66 HA -0.61 0.13 0.80 -0.75 4.34 3.91 3hy1A1 ARG 66 HB2 -0.58 0.01 -0.03 -0.04 1.90 1.26 3hy1A1 ARG 66 HB3 -0.27 0.02 0.07 -0.04 1.80 1.58 3hy1A1 ARG 66 HG2 -0.09 0.05 0.12 -0.04 1.67 1.71 3hy1A1 ARG 66 HG3 -0.12 -0.03 -0.05 -0.04 1.67 1.44 3hy1A1 ARG 66 HD2 0.13 -0.04 -0.06 -0.04 3.22 3.21 3hy1A1 ARG 66 HD3 -0.00 0.03 0.00 -0.04 3.22 3.22 3hy1A1 CYS 67 H -0.96 0.58 0.31 -0.55 8.50 7.89 3hy1A1 CYS 67 HA -0.31 0.27 0.82 -0.75 4.58 4.61 3hy1A1 CYS 67 HB2 -1.48 -0.02 -0.11 -0.04 2.97 1.32 3hy1A1 CYS 67 HB3 -0.42 0.05 -0.21 -0.04 2.97 2.35 3hy1A1 VAL 68 H -0.08 0.67 0.22 -0.55 8.24 8.50 3hy1A1 VAL 68 HA 0.04 0.57 0.94 -0.75 4.13 4.93 3hy1A1 VAL 68 HB -0.05 -0.01 0.11 -0.04 2.12 2.14 3hy1A1 VAL 68 HG13 0.10 -0.07 -0.23 -0.04 0.97 0.73 3hy1A1 VAL 68 HG23 -0.01 -0.02 -0.18 -0.04 0.95 0.70 3hy1A1 ARG 69 H 0.29 0.49 0.07 -0.55 8.46 8.76 3hy1A1 ARG 69 HA 0.23 0.25 1.03 -0.75 4.34 5.10 3hy1A1 ARG 69 HB2 0.30 0.01 0.20 -0.04 1.90 2.38 3hy1A1 ARG 69 HB3 0.26 -0.03 -0.12 -0.04 1.80 1.88 3hy1A1 ARG 69 HG2 0.25 0.06 -0.05 -0.04 1.67 1.89 3hy1A1 ARG 69 HG3 0.61 -0.01 -0.11 -0.04 1.67 2.11 3hy1A1 ARG 69 HD2 0.32 -0.02 -0.04 -0.04 3.22 3.43 3hy1A1 ARG 69 HD3 0.31 -0.07 -0.07 -0.04 3.22 3.34 3hy1A1 ALA 70 H 0.25 0.28 -0.08 -0.55 8.40 8.30 3hy1A1 ALA 70 HA 0.13 0.01 0.90 -0.75 4.34 4.62 3hy1A1 ALA 70 HB3 0.17 0.01 -0.00 -0.04 1.41 1.55 3hy1A1 GLY 71 H 0.15 0.48 0.15 -0.55 8.43 8.66 3hy1A1 GLY 71 HA2 0.04 0.12 0.66 -0.51 4.01 4.32 3hy1A1 GLY 71 HA3 0.02 0.02 0.17 -0.51 4.01 3.70 3hy1A1 GLY 72 H 0.01 0.14 0.09 -0.55 8.43 8.12 3hy1A1 GLY 72 HA2 -0.01 0.08 0.31 -0.51 4.01 3.88 3hy1A1 GLY 72 HA3 0.01 -0.01 0.40 -0.51 4.01 3.90 3hy1A1 LYS 73 H -0.02 0.10 0.21 -0.55 8.42 8.15 3hy1A1 LYS 73 HA -0.12 0.11 0.47 -0.75 4.32 4.02 3hy1A1 LYS 73 HB2 -0.14 -0.08 0.17 -0.04 1.87 1.78 3hy1A1 LYS 73 HB3 -0.53 0.12 -0.02 -0.04 1.79 1.31 3hy1A1 LYS 73 HG2 -0.18 0.08 -0.07 -0.04 1.46 1.25 3hy1A1 LYS 73 HG3 -0.13 0.03 0.02 -0.04 1.46 1.34 3hy1A1 LYS 73 HD2 -0.06 -0.08 0.01 -0.04 1.69 1.52 3hy1A1 LYS 73 HD3 -0.07 -0.06 -0.15 -0.04 1.68 1.36 3hy1A1 LYS 73 HE2 -0.05 -0.02 -0.07 -0.04 2.99 2.81 3hy1A1 LYS 73 HE3 -0.04 0.00 -0.05 -0.04 2.99 2.87 3hy1A1 HIS 74 H 0.09 0.21 -0.13 -0.55 8.41 8.04 3hy1A1 HIS 74 HA 0.09 0.22 0.91 -0.75 4.63 5.09 3hy1A1 HIS 74 HB2 0.14 -0.04 0.24 -0.04 3.26 3.57 3hy1A1 HIS 74 HB3 0.17 0.01 0.06 -0.04 3.20 3.40 3hy1A1 HIS 74 HD2 0.07 -0.11 0.06 -0.04 6.97 6.93 3hy1A1 HIS 74 HE1 -0.12 0.07 -0.03 -0.04 7.75 7.63 3hy1A1 ASN 75 H 0.08 0.32 -0.21 -0.55 8.53 8.18 3hy1A1 ASN 75 HA 0.13 0.00 0.54 -0.75 4.76 4.68 3hy1A1 ASN 75 HB2 0.05 0.08 -0.49 -0.04 2.88 2.48 3hy1A1 ASN 75 HB3 0.04 0.06 -0.03 -0.04 2.79 2.82 3hy1A1 ASN 75 HD21 0.03 0.03 -0.10 -0.04 7.03 6.95 3hy1A1 ASN 75 HD22 0.03 0.00 -0.13 -0.04 7.74 7.60 3hy1A1 ASP 76 H 0.14 0.66 0.04 -0.55 8.40 8.70 3hy1A1 ASP 76 HA 0.04 0.19 0.82 -0.75 4.63 4.92 3hy1A1 ASP 76 HB2 0.17 0.21 0.12 -0.04 2.71 3.17 3hy1A1 ASP 76 HB3 0.14 -0.08 0.11 -0.04 2.70 2.82 3hy1A1 LEU 77 H 0.08 0.09 -0.14 -0.55 8.37 7.86 3hy1A1 LEU 77 HA 0.11 0.06 0.34 -0.75 4.35 4.11 3hy1A1 LEU 77 HB2 0.07 0.01 0.16 -0.04 1.64 1.83 3hy1A1 LEU 77 HB3 0.05 -0.03 0.05 -0.04 1.64 1.68 3hy1A1 LEU 77 HG 0.07 0.04 -0.26 -0.04 1.64 1.45 3hy1A1 LEU 77 HD13 0.04 -0.00 0.02 -0.04 0.93 0.95 3hy1A1 LEU 77 HD23 0.02 0.00 -0.03 -0.04 0.89 0.84 3hy1A1 GLU 78 H 0.03 0.11 -0.25 -0.55 8.60 7.94 3hy1A1 GLU 78 HA 0.06 0.15 0.30 -0.75 4.29 4.05 3hy1A1 GLU 78 HB2 -0.03 0.03 -0.07 -0.04 2.09 1.97 3hy1A1 GLU 78 HB3 -0.04 0.06 0.03 -0.04 1.99 2.00 3hy1A1 GLU 78 HG2 0.01 -0.08 -0.04 -0.04 2.34 2.19 3hy1A1 GLU 78 HG3 -0.01 0.03 -0.04 -0.04 2.34 2.27 3hy1A1 ASN 79 H -0.00 0.19 -0.59 -0.55 8.53 7.58 3hy1A1 ASN 79 HA -0.04 0.13 0.56 -0.75 4.76 4.66 3hy1A1 ASN 79 HB2 -0.21 0.18 0.03 -0.04 2.88 2.85 3hy1A1 ASN 79 HB3 -0.47 -0.11 -0.01 -0.04 2.79 2.16 3hy1A1 ASN 79 HD21 -0.21 0.03 -0.03 -0.04 7.03 6.78 3hy1A1 ASN 79 HD22 -0.47 -0.01 -0.00 -0.04 7.74 7.21 3hy1A1 VAL 80 H 0.13 0.37 -0.27 -0.55 8.24 7.91 3hy1A1 VAL 80 HA 0.17 0.00 0.30 -0.75 4.13 3.85 3hy1A1 VAL 80 HB 0.24 0.16 0.15 -0.04 2.12 2.62 3hy1A1 VAL 80 HG13 0.23 -0.01 -0.11 -0.04 0.97 1.04 3hy1A1 VAL 80 HG23 0.24 0.01 -0.17 -0.04 0.95 0.99 3hy1A1 GLY 81 H 0.03 0.17 0.24 -0.55 8.43 8.32 3hy1A1 GLY 81 HA2 -0.27 -0.03 0.37 -0.51 4.01 3.56 3hy1A1 GLY 81 HA3 -0.24 0.17 0.74 -0.51 4.01 4.18 3hy1A1 TYR 82 H 0.16 0.42 -0.09 -0.55 8.29 8.23 3hy1A1 TYR 82 HA -0.03 0.18 0.87 -0.75 4.56 4.83 3hy1A1 TYR 82 HB2 -0.02 0.08 0.03 -0.04 3.06 3.11 3hy1A1 TYR 82 HB3 -0.02 -0.05 0.05 -0.04 2.98 2.92 3hy1A1 TYR 82 HD2 -0.02 0.05 -0.17 -0.04 7.15 6.97 3hy1A1 TYR 82 HE2 0.00 0.01 -0.06 -0.04 6.85 6.76 3hy1A1 THR 83 H 0.13 0.16 0.22 -0.55 8.28 8.24 3hy1A1 THR 83 HA 0.11 0.28 0.89 -0.75 4.39 4.91 3hy1A1 THR 83 HB 0.20 0.01 0.16 -0.04 4.32 4.65 3hy1A1 THR 83 HG23 0.13 0.06 -0.08 -0.04 1.22 1.28 3hy1A1 ALA 84 H 0.06 0.26 0.14 -0.55 8.40 8.31 3hy1A1 ALA 84 HA 0.14 0.18 0.82 -0.75 4.34 4.74 3hy1A1 ALA 84 HB3 0.00 0.01 0.13 -0.04 1.41 1.52 3hy1A1 ARG 85 H -0.00 -0.00 -0.21 -0.55 8.46 7.70 3hy1A1 ARG 85 HA -0.27 0.16 0.88 -0.75 4.34 4.36 3hy1A1 ARG 85 HB2 -0.22 0.04 0.10 -0.04 1.90 1.77 3hy1A1 ARG 85 HB3 -0.12 0.06 -0.16 -0.04 1.80 1.54 3hy1A1 ARG 85 HG2 -0.26 -0.08 -0.14 -0.04 1.67 1.15 3hy1A1 ARG 85 HG3 -0.57 0.01 -0.15 -0.04 1.67 0.91 3hy1A1 ARG 85 HD2 -0.05 0.03 -0.04 -0.04 3.22 3.12 3hy1A1 ARG 85 HD3 0.02 -0.05 -0.05 -0.04 3.22 3.10 3hy1A1 HIS 86 H -0.04 0.04 -0.08 -0.55 8.41 7.78 3hy1A1 HIS 86 HA -0.27 0.22 0.90 -0.75 4.63 4.72 3hy1A1 HIS 86 HB2 -0.01 -0.04 -0.07 -0.04 3.26 3.10 3hy1A1 HIS 86 HB3 -0.01 0.10 -0.15 -0.04 3.20 3.09 3hy1A1 HIS 86 HD2 -0.05 0.02 -0.02 -0.04 6.97 6.88 3hy1A1 HIS 86 HE1 0.03 0.09 -0.05 -0.04 7.75 7.77 3hy1A1 HIS 87 H -0.11 0.25 0.09 -0.55 8.41 8.09 3hy1A1 HIS 87 HA 0.20 0.16 0.72 -0.75 4.63 4.96 3hy1A1 HIS 87 HB2 0.19 -0.03 -0.34 -0.04 3.26 3.03 3hy1A1 HIS 87 HB3 0.28 0.02 0.00 -0.04 3.20 3.46 3hy1A1 HIS 87 HD2 0.02 -0.09 -0.11 -0.04 6.97 6.74 3hy1A1 HIS 87 HE1 -1.63 -0.03 -0.22 -0.04 7.75 5.82 3hy1A1 THR 88 H 0.36 0.12 0.07 -0.55 8.28 8.28 3hy1A1 THR 88 HA 0.25 0.21 0.72 -0.75 4.39 4.81 3hy1A1 THR 88 HB 0.14 -0.02 -0.08 -0.04 4.32 4.32 3hy1A1 THR 88 HG23 0.08 0.02 -0.04 -0.04 1.22 1.25 3hy1A1 PHE 89 H 0.38 0.08 0.10 -0.55 8.34 8.34 3hy1A1 PHE 89 HA 0.02 0.52 1.04 -0.75 4.62 5.44 3hy1A1 PHE 89 HB2 0.01 -0.06 -0.13 -0.04 3.15 2.93 3hy1A1 PHE 89 HB3 0.05 -0.02 0.06 -0.04 3.06 3.10 3hy1A1 PHE 89 HD2 -0.15 -0.04 -0.26 -0.04 7.28 6.80 3hy1A1 PHE 89 HE2 -0.49 -0.03 -0.14 -0.04 7.38 6.67 3hy1A1 PHE 89 HZ -1.24 0.02 -0.09 -0.04 7.32 5.97 3hy1A1 PHE 90 H -0.73 0.65 0.30 -0.55 8.34 7.99 3hy1A1 PHE 90 HA -0.16 0.09 0.57 -0.75 4.62 4.37 3hy1A1 PHE 90 HB2 0.02 -0.11 0.06 -0.04 3.15 3.08 3hy1A1 PHE 90 HB3 0.17 0.04 -0.29 -0.04 3.06 2.94 3hy1A1 PHE 90 HD2 -0.04 -0.02 -0.45 -0.04 7.28 6.74 3hy1A1 PHE 90 HE2 -0.02 -0.02 -0.18 -0.04 7.38 7.11 3hy1A1 PHE 90 HZ -0.00 0.09 -0.11 -0.04 7.32 7.26 3hy1A1 GLU 91 H -0.02 0.06 0.18 -0.55 8.60 8.27 3hy1A1 GLU 91 HA -0.42 0.45 1.08 -0.75 4.29 4.66 3hy1A1 GLU 91 HB2 -0.13 -0.13 0.09 -0.04 2.09 1.87 3hy1A1 GLU 91 HB3 -0.18 0.07 -0.16 -0.04 1.99 1.68 3hy1A1 GLU 91 HG2 -0.34 0.07 -0.23 -0.04 2.34 1.80 3hy1A1 GLU 91 HG3 -0.15 -0.07 -0.12 -0.04 2.34 1.97 3hy1A1 MET 92 H -0.25 0.67 0.22 -0.55 8.47 8.56 3hy1A1 MET 92 HA -0.13 0.19 0.91 -0.75 4.52 4.75 3hy1A1 MET 92 HB2 -0.12 -0.04 0.13 -0.04 2.15 2.08 3hy1A1 MET 92 HB3 -0.09 0.01 -0.04 -0.04 2.03 1.87 3hy1A1 MET 92 HG2 0.08 0.06 -0.16 -0.04 2.63 2.57 3hy1A1 MET 92 HG3 -0.05 0.03 -0.23 -0.04 2.56 2.28 3hy1A1 MET 92 HE3 0.22 0.08 -0.03 -0.04 2.10 2.33 3hy1A1 LEU 93 H -0.40 0.75 0.35 -0.55 8.37 8.52 3hy1A1 LEU 93 HA -0.56 0.19 0.92 -0.75 4.35 4.15 3hy1A1 LEU 93 HB2 -1.14 -0.03 0.25 -0.04 1.64 0.67 3hy1A1 LEU 93 HB3 -2.75 0.05 0.05 -0.04 1.64 -1.05 3hy1A1 LEU 93 HG -0.45 -0.07 0.05 -0.04 1.64 1.14 3hy1A1 LEU 93 HD13 -0.46 0.01 -0.09 -0.04 0.93 0.35 3hy1A1 LEU 93 HD23 -0.35 -0.00 -0.01 -0.04 0.89 0.48 3hy1A1 GLY 94 H -0.10 0.61 0.38 -0.55 8.43 8.78 3hy1A1 GLY 94 HA2 -0.13 0.08 0.88 -0.51 4.01 4.33 3hy1A1 GLY 94 HA3 -0.29 0.09 0.33 -0.51 4.01 3.63 3hy1A1 ASN 95 H -0.34 0.15 0.20 -0.55 8.53 7.99 3hy1A1 ASN 95 HA -0.69 0.28 1.07 -0.75 4.76 4.67 3hy1A1 ASN 95 HB2 -1.01 0.07 0.02 -0.04 2.88 1.92 3hy1A1 ASN 95 HB3 -2.26 0.03 -0.00 -0.04 2.79 0.51 3hy1A1 ASN 95 HD21 0.17 -0.01 -0.09 -0.04 7.03 7.05 3hy1A1 ASN 95 HD22 0.12 0.05 -0.19 -0.04 7.74 7.68 3hy1A1 PHE 96 H -0.16 0.72 0.37 -0.55 8.34 8.72 3hy1A1 PHE 96 HA -0.09 0.30 1.08 -0.75 4.62 5.15 3hy1A1 PHE 96 HB2 -0.57 -0.10 0.02 -0.04 3.15 2.46 3hy1A1 PHE 96 HB3 -0.27 0.07 0.01 -0.04 3.06 2.83 3hy1A1 PHE 96 HD2 0.07 0.05 -0.19 -0.04 7.28 7.17 3hy1A1 PHE 96 HE2 0.17 -0.08 -0.20 -0.04 7.38 7.24 3hy1A1 PHE 96 HZ 0.15 -0.13 -0.21 -0.04 7.32 7.09 3hy1A1 SER 97 H -0.12 0.60 0.39 -0.55 8.46 8.79 3hy1A1 SER 97 HA -0.49 0.25 1.17 -0.75 4.49 4.66 3hy1A1 SER 97 HB2 -1.57 -0.01 0.04 -0.04 3.95 2.37 3hy1A1 SER 97 HB3 -0.45 -0.11 0.28 -0.04 3.93 3.60 3hy1A1 PHE 98 H -0.42 0.87 0.25 -0.55 8.34 8.49 3hy1A1 PHE 98 HA -0.03 0.17 1.03 -0.75 4.62 5.03 3hy1A1 PHE 98 HB2 -0.13 0.04 0.25 -0.04 3.15 3.26 3hy1A1 PHE 98 HB3 -0.19 0.08 0.00 -0.04 3.06 2.91 3hy1A1 PHE 98 HD2 -0.50 0.06 -0.21 -0.04 7.28 6.60 3hy1A1 PHE 98 HE2 -0.45 -0.03 -0.23 -0.04 7.38 6.63 3hy1A1 PHE 98 HZ -1.26 -0.04 -0.15 -0.04 7.32 5.82 3hy1A1 GLY 99 H 0.04 0.29 -0.01 -0.55 8.43 8.21 3hy1A1 GLY 99 HA2 -0.03 0.16 0.22 -0.51 4.01 3.85 3hy1A1 GLY 99 HA3 0.01 0.06 0.45 -0.51 4.01 4.02 3hy1A1 ASP 100 H -0.07 -0.08 -0.53 -0.55 8.40 7.17 3hy1A1 ASP 100 HA 0.01 0.19 0.71 -0.75 4.63 4.78 3hy1A1 ASP 100 HB2 -0.03 0.14 -0.05 -0.04 2.71 2.74 3hy1A1 ASP 100 HB3 -0.14 -0.10 0.17 -0.04 2.70 2.58 3hy1A1 TYR 101 H 0.08 0.10 0.09 -0.55 8.29 8.00 3hy1A1 TYR 101 HA 0.06 0.04 0.34 -0.75 4.56 4.24 3hy1A1 TYR 101 HB2 0.05 -0.13 0.04 -0.04 3.06 2.98 3hy1A1 TYR 101 HB3 0.07 0.06 0.08 -0.04 2.98 3.15 3hy1A1 TYR 101 HD2 0.10 0.05 -0.13 -0.04 7.15 7.12 3hy1A1 TYR 101 HE2 0.12 0.02 -0.12 -0.04 6.85 6.84 3hy1A1 PHE 102 H 0.26 -0.00 0.05 -0.55 8.34 8.10 3hy1A1 PHE 102 HA 0.03 0.31 0.78 -0.75 4.62 4.99 3hy1A1 PHE 102 HB2 -0.02 0.22 -0.04 -0.04 3.15 3.26 3hy1A1 PHE 102 HB3 -0.06 -0.19 0.17 -0.04 3.06 2.93 3hy1A1 PHE 102 HD2 -0.04 0.02 -0.07 -0.04 7.28 7.15 3hy1A1 PHE 102 HE2 -0.01 0.15 -0.04 -0.04 7.38 7.44 3hy1A1 PHE 102 HZ -0.00 0.07 -0.13 -0.04 7.32 7.21 3hy1A1 LYS 103 H -0.45 0.21 0.09 -0.55 8.42 7.71 3hy1A1 LYS 103 HA -0.32 0.11 0.09 -0.75 4.32 3.44 3hy1A1 LYS 103 HB2 -0.48 -0.00 0.04 -0.04 1.87 1.39 3hy1A1 LYS 103 HB3 -0.77 0.02 -0.05 -0.04 1.79 0.96 3hy1A1 LYS 103 HG2 -2.51 0.06 0.00 -0.04 1.46 -1.02 3hy1A1 LYS 103 HG3 -1.32 0.03 0.08 -0.04 1.46 0.21 3hy1A1 LYS 103 HD2 -0.54 -0.04 -0.03 -0.04 1.69 1.03 3hy1A1 LYS 103 HD3 -1.22 -0.02 -0.03 -0.04 1.68 0.37 3hy1A1 LYS 103 HE2 -0.89 0.09 0.02 -0.04 2.99 2.17 3hy1A1 LYS 103 HE3 -0.28 0.06 0.02 -0.04 2.99 2.75 3hy1A1 LEU 104 H -0.13 0.10 -0.10 -0.55 8.37 7.69 3hy1A1 LEU 104 HA -0.24 0.11 0.28 -0.75 4.35 3.74 3hy1A1 LEU 104 HB2 -0.13 0.01 0.07 -0.04 1.64 1.55 3hy1A1 LEU 104 HB3 -0.11 -0.03 0.07 -0.04 1.64 1.53 3hy1A1 LEU 104 HG -0.18 0.03 -0.22 -0.04 1.64 1.23 3hy1A1 LEU 104 HD13 -0.19 0.01 0.01 -0.04 0.93 0.72 3hy1A1 LEU 104 HD23 -0.10 0.02 -0.03 -0.04 0.89 0.73 3hy1A1 ASP 105 H -0.09 0.06 -0.17 -0.55 8.40 7.66 3hy1A1 ASP 105 HA -0.47 0.13 0.46 -0.75 4.63 3.99 3hy1A1 ASP 105 HB2 -0.10 -0.05 0.03 -0.04 2.71 2.55 3hy1A1 ASP 105 HB3 -0.81 0.08 -0.05 -0.04 2.70 1.87 3hy1A1 ALA 106 H 0.06 0.40 -0.28 -0.55 8.40 8.03 3hy1A1 ALA 106 HA 0.27 0.05 0.31 -0.75 4.34 4.21 3hy1A1 ALA 106 HB3 0.24 0.02 -0.09 -0.04 1.41 1.53 3hy1A1 ILE 107 H -0.16 0.56 -0.18 -0.55 8.25 7.92 3hy1A1 ILE 107 HA -0.27 0.03 0.40 -0.75 4.18 3.59 3hy1A1 ILE 107 HB -0.51 0.11 0.06 -0.04 1.89 1.52 3hy1A1 ILE 107 HG12 -0.24 -0.01 -0.03 -0.04 1.49 1.16 3hy1A1 ILE 107 HG13 -0.07 0.01 0.01 -0.04 1.21 1.12 3hy1A1 ILE 107 HG23 -1.59 -0.00 -0.19 -0.04 0.93 -0.89 3hy1A1 ILE 107 HD13 -0.58 -0.02 -0.05 -0.04 0.88 0.18 3hy1A1 LEU 108 H -0.30 0.38 -0.25 -0.55 8.37 7.65 3hy1A1 LEU 108 HA -0.13 0.06 0.40 -0.75 4.35 3.92 3hy1A1 LEU 108 HB2 -0.42 0.00 0.17 -0.04 1.64 1.36 3hy1A1 LEU 108 HB3 -0.21 -0.02 -0.03 -0.04 1.64 1.34 3hy1A1 LEU 108 HG -0.27 0.17 0.06 -0.04 1.64 1.56 3hy1A1 LEU 108 HD13 -0.20 -0.04 -0.12 -0.04 0.93 0.52 3hy1A1 LEU 108 HD23 -0.15 -0.00 -0.07 -0.04 0.89 0.63 3hy1A1 PHE 109 H -0.27 0.71 -0.11 -0.55 8.34 8.12 3hy1A1 PHE 109 HA 0.06 0.02 0.39 -0.75 4.62 4.34 3hy1A1 PHE 109 HB2 0.08 0.10 0.09 -0.04 3.15 3.38 3hy1A1 PHE 109 HB3 0.26 -0.05 -0.08 -0.04 3.06 3.15 3hy1A1 PHE 109 HD2 -0.11 -0.04 -0.09 -0.04 7.28 7.00 3hy1A1 PHE 109 HE2 -0.62 -0.03 -0.07 -0.04 7.38 6.62 3hy1A1 PHE 109 HZ -0.23 0.03 -0.01 -0.04 7.32 7.07 3hy1A1 ALA 110 H -0.06 0.39 -0.31 -0.55 8.40 7.88 3hy1A1 ALA 110 HA -0.51 0.00 0.33 -0.75 4.34 3.41 3hy1A1 ALA 110 HB3 -0.72 0.02 0.03 -0.04 1.41 0.70 3hy1A1 TRP 111 H 0.17 0.56 -0.12 -0.55 7.97 8.03 3hy1A1 TRP 111 HA 0.09 0.02 0.39 -0.75 4.62 4.36 3hy1A1 TRP 111 HB2 -0.00 0.04 0.08 -0.04 3.23 3.31 3hy1A1 TRP 111 HB3 -0.05 0.08 0.09 -0.04 3.23 3.30 3hy1A1 TRP 111 HD1 0.01 0.00 -0.12 -0.04 7.22 7.07 3hy1A1 TRP 111 HE1 0.05 0.05 -0.07 -0.04 10.20 10.18 3hy1A1 TRP 111 HE3 0.33 -0.05 -0.06 -0.04 7.59 7.77 3hy1A1 TRP 111 HZ2 0.06 0.02 -0.08 -0.04 7.44 7.40 3hy1A1 TRP 111 HZ3 0.10 -0.00 -0.09 -0.04 7.13 7.10 3hy1A1 TRP 111 HH2 0.05 0.09 -0.04 -0.04 7.19 7.25 3hy1A1 LEU 112 H 0.13 0.61 -0.22 -0.55 8.37 8.34 3hy1A1 LEU 112 HA -0.02 -0.02 0.31 -0.75 4.35 3.87 3hy1A1 LEU 112 HB2 0.13 0.05 0.09 -0.04 1.64 1.86 3hy1A1 LEU 112 HB3 0.12 0.09 0.14 -0.04 1.64 1.96 3hy1A1 LEU 112 HG 0.10 -0.02 -0.24 -0.04 1.64 1.45 3hy1A1 LEU 112 HD13 0.14 -0.02 0.01 -0.04 0.93 1.02 3hy1A1 LEU 112 HD23 0.28 -0.01 -0.06 -0.04 0.89 1.06 3hy1A1 LEU 113 H -0.33 0.57 -0.14 -0.55 8.37 7.93 3hy1A1 LEU 113 HA -0.91 -0.03 0.39 -0.75 4.35 3.04 3hy1A1 LEU 113 HB2 -1.69 -0.00 0.08 -0.04 1.64 -0.02 3hy1A1 LEU 113 HB3 -0.22 0.08 0.10 -0.04 1.64 1.55 3hy1A1 LEU 113 HG -0.87 0.04 -0.16 -0.04 1.64 0.61 3hy1A1 LEU 113 HD13 -1.45 -0.03 0.00 -0.04 0.93 -0.59 3hy1A1 LEU 113 HD23 -0.27 -0.02 -0.06 -0.04 0.89 0.50 3hy1A1 LEU 114 H -0.09 0.45 -0.19 -0.55 8.37 7.99 3hy1A1 LEU 114 HA 0.12 0.11 0.52 -0.75 4.35 4.35 3hy1A1 LEU 114 HB2 -0.07 0.06 0.12 -0.04 1.64 1.71 3hy1A1 LEU 114 HB3 0.04 -0.06 0.01 -0.04 1.64 1.59 3hy1A1 LEU 114 HG 0.49 0.07 0.04 -0.04 1.64 2.20 3hy1A1 LEU 114 HD13 0.41 -0.03 -0.09 -0.04 0.93 1.18 3hy1A1 LEU 114 HD23 0.39 -0.02 -0.03 -0.04 0.89 1.19 3hy1A1 THR 115 H -0.36 0.51 -0.10 -0.55 8.28 7.78 3hy1A1 THR 115 HA -0.24 0.19 0.52 -0.75 4.39 4.10 3hy1A1 THR 115 HB -0.48 -0.08 -0.04 -0.04 4.32 3.68 3hy1A1 THR 115 HG23 -1.60 -0.01 -0.11 -0.04 1.22 -0.54 3hy1A1 SER 116 H -0.12 0.44 -0.10 -0.55 8.46 8.13 3hy1A1 SER 116 HA -0.01 -0.02 0.28 -0.75 4.49 3.98 3hy1A1 SER 116 HB2 0.11 0.13 0.16 -0.04 3.95 4.32 3hy1A1 SER 116 HB3 0.24 -0.02 0.10 -0.04 3.93 4.21 3hy1A1 GLU 117 H -0.01 0.09 0.17 -0.55 8.60 8.31 3hy1A1 GLU 117 HA -0.01 0.16 0.42 -0.75 4.29 4.11 3hy1A1 GLU 117 HB2 -0.02 -0.08 0.09 -0.04 2.09 2.04 3hy1A1 GLU 117 HB3 -0.02 0.02 0.05 -0.04 1.99 1.99 3hy1A1 GLU 117 HG2 -0.00 -0.00 0.10 -0.04 2.34 2.39 3hy1A1 GLU 117 HG3 -0.00 -0.04 0.04 -0.04 2.34 2.30 3hy1A1 LYS 118 H -0.06 -0.05 -0.21 -0.55 8.42 7.55 3hy1A1 LYS 118 HA -0.21 0.11 0.51 -0.75 4.32 3.97 3hy1A1 LYS 118 HB2 -0.23 -0.05 -0.00 -0.04 1.87 1.55 3hy1A1 LYS 118 HB3 -0.46 0.01 -0.00 -0.04 1.79 1.29 3hy1A1 LYS 118 HG2 -0.13 0.04 -0.02 -0.04 1.46 1.30 3hy1A1 LYS 118 HG3 -0.07 -0.06 0.01 -0.04 1.46 1.30 3hy1A1 LYS 118 HD2 -0.05 -0.01 -0.01 -0.04 1.69 1.57 3hy1A1 LYS 118 HD3 -0.16 0.02 -0.01 -0.04 1.68 1.48 3hy1A1 LYS 118 HE2 -0.07 0.01 -0.01 -0.04 2.99 2.87 3hy1A1 LYS 118 HE3 -0.04 -0.01 -0.01 -0.04 2.99 2.89 3hy1A1 TRP 119 H 0.01 -0.03 -0.39 -0.55 7.97 7.01 3hy1A1 TRP 119 HA -0.11 0.11 0.83 -0.75 4.62 4.70 3hy1A1 TRP 119 HB2 -0.34 0.14 0.16 -0.04 3.23 3.15 3hy1A1 TRP 119 HB3 -0.61 -0.03 0.21 -0.04 3.23 2.76 3hy1A1 TRP 119 HD1 -0.08 -0.00 -0.09 -0.04 7.22 7.01 3hy1A1 TRP 119 HE1 0.11 -0.02 -0.09 -0.04 10.20 10.16 3hy1A1 TRP 119 HE3 -0.16 0.01 -0.02 -0.04 7.59 7.39 3hy1A1 TRP 119 HZ2 0.05 -0.01 -0.05 -0.04 7.44 7.39 3hy1A1 TRP 119 HZ3 0.03 -0.05 0.02 -0.04 7.13 7.08 3hy1A1 TRP 119 HH2 0.04 -0.03 -0.08 -0.04 7.19 7.08 3hy1A1 PHE 120 H -0.26 0.40 0.13 -0.55 8.34 8.06 3hy1A1 PHE 120 HA 0.03 0.25 1.09 -0.75 4.62 5.23 3hy1A1 PHE 120 HB2 0.00 -0.05 -0.01 -0.04 3.15 3.05 3hy1A1 PHE 120 HB3 0.07 -0.01 -0.16 -0.04 3.06 2.92 3hy1A1 PHE 120 HD2 0.04 0.04 0.05 -0.04 7.28 7.37 3hy1A1 PHE 120 HE2 0.01 -0.05 -0.05 -0.04 7.38 7.26 3hy1A1 PHE 120 HZ -0.04 -0.08 -0.07 -0.04 7.32 7.09 3hy1A1 ALA 121 H 0.13 0.06 0.00 -0.55 8.40 8.05 3hy1A1 ALA 121 HA 0.03 0.23 -0.58 -0.75 4.34 3.26 3hy1A1 ALA 121 HB3 0.02 0.04 -0.12 -0.04 1.41 1.31 3hy1A1 LEU 122 H 0.03 0.84 0.46 -0.55 8.37 9.14 3hy1A1 LEU 122 HA 0.04 0.03 0.34 -0.75 4.35 4.00 3hy1A1 LEU 122 HB2 0.03 -0.04 -0.04 -0.04 1.64 1.54 3hy1A1 LEU 122 HB3 0.11 -0.03 0.07 -0.04 1.64 1.76 3hy1A1 LEU 122 HG 0.08 0.38 0.26 -0.04 1.64 2.31 3hy1A1 LEU 122 HD13 -0.01 -0.05 -0.01 -0.04 0.93 0.82 3hy1A1 LEU 122 HD23 -0.12 -0.04 -0.11 -0.04 0.89 0.58 3hy1A1 PRO 123 HA 0.05 0.07 0.64 -0.51 4.44 4.69 3hy1A1 PRO 123 HB2 0.10 -0.14 0.10 -0.04 2.28 2.30 3hy1A1 PRO 123 HB3 0.07 0.00 0.13 -0.04 2.02 2.18 3hy1A1 PRO 123 HG2 0.15 0.05 0.11 -0.04 2.03 2.31 3hy1A1 PRO 123 HG3 0.10 0.08 0.13 -0.04 2.03 2.29 3hy1A1 PRO 123 HD2 0.28 0.07 0.22 -0.04 3.68 4.21 3hy1A1 PRO 123 HD3 0.11 0.21 0.22 -0.04 3.65 4.14 3hy1A1 LYS 124 H 0.04 0.16 0.20 -0.55 8.42 8.28 3hy1A1 LYS 124 HA 0.09 0.13 0.40 -0.75 4.32 4.18 3hy1A1 LYS 124 HB2 0.10 -0.06 0.12 -0.04 1.87 1.99 3hy1A1 LYS 124 HB3 0.26 0.05 0.02 -0.04 1.79 2.08 3hy1A1 LYS 124 HG2 -0.07 0.03 -0.00 -0.04 1.46 1.37 3hy1A1 LYS 124 HG3 -0.00 0.06 0.08 -0.04 1.46 1.56 3hy1A1 LYS 124 HD2 0.14 -0.04 0.01 -0.04 1.69 1.76 3hy1A1 LYS 124 HD3 0.40 0.03 -0.02 -0.04 1.68 2.05 3hy1A1 LYS 124 HE2 -0.08 0.03 -0.05 -0.04 2.99 2.85 3hy1A1 LYS 124 HE3 0.04 -0.01 -0.01 -0.04 2.99 2.97 3hy1A1 GLU 125 H 0.06 0.03 -0.10 -0.55 8.60 8.04 3hy1A1 GLU 125 HA -0.01 0.11 0.36 -0.75 4.29 4.00 3hy1A1 GLU 125 HB2 0.01 0.02 0.04 -0.04 2.09 2.13 3hy1A1 GLU 125 HB3 0.02 -0.02 0.09 -0.04 1.99 2.04 3hy1A1 GLU 125 HG2 0.04 0.02 -0.09 -0.04 2.34 2.27 3hy1A1 GLU 125 HG3 0.03 0.01 -0.05 -0.04 2.34 2.30 3hy1A1 ARG 126 H 0.06 0.10 -0.49 -0.55 8.46 7.58 3hy1A1 ARG 126 HA 0.06 0.04 0.47 -0.75 4.34 4.15 3hy1A1 ARG 126 HB2 0.07 0.21 0.10 -0.04 1.90 2.23 3hy1A1 ARG 126 HB3 -0.49 -0.10 0.07 -0.04 1.80 1.24 3hy1A1 ARG 126 HG2 -0.02 -0.13 -0.02 -0.04 1.67 1.47 3hy1A1 ARG 126 HG3 -0.03 0.02 0.06 -0.04 1.67 1.68 3hy1A1 ARG 126 HD2 -0.65 0.23 0.21 -0.04 3.22 2.97 3hy1A1 ARG 126 HD3 -0.14 -0.11 0.03 -0.04 3.22 2.96 3hy1A1 LEU 127 H 0.15 0.23 -0.24 -0.55 8.37 7.96 3hy1A1 LEU 127 HA 0.33 0.19 0.60 -0.75 4.35 4.72 3hy1A1 LEU 127 HB2 0.34 0.05 0.08 -0.04 1.64 2.06 3hy1A1 LEU 127 HB3 0.33 -0.05 0.02 -0.04 1.64 1.91 3hy1A1 LEU 127 HG 0.18 0.18 0.04 -0.04 1.64 2.00 3hy1A1 LEU 127 HD13 -0.02 -0.02 -0.11 -0.04 0.93 0.74 3hy1A1 LEU 127 HD23 0.32 -0.03 -0.10 -0.04 0.89 1.04 3hy1A1 TRP 128 H 0.47 0.63 0.46 -0.55 7.97 8.98 3hy1A1 TRP 128 HA -0.05 0.22 0.89 -0.75 4.62 4.93 3hy1A1 TRP 128 HB2 0.10 -0.12 0.05 -0.04 3.23 3.21 3hy1A1 TRP 128 HB3 -0.10 0.01 0.10 -0.04 3.23 3.21 3hy1A1 TRP 128 HD1 0.10 0.29 -0.27 -0.04 7.22 7.30 3hy1A1 TRP 128 HE1 0.13 -0.02 -0.06 -0.04 10.20 10.21 3hy1A1 TRP 128 HE3 -0.18 0.02 0.05 -0.04 7.59 7.45 3hy1A1 TRP 128 HZ2 0.05 -0.04 -0.03 -0.04 7.44 7.38 3hy1A1 TRP 128 HZ3 -0.15 0.06 0.03 -0.04 7.13 7.03 3hy1A1 TRP 128 HH2 -0.08 -0.05 -0.03 -0.04 7.19 6.99 3hy1A1 VAL 129 H -0.07 0.61 0.38 -0.55 8.24 8.61 3hy1A1 VAL 129 HA 0.00 0.30 1.21 -0.75 4.13 4.88 3hy1A1 VAL 129 HB -0.98 -0.03 0.06 -0.04 2.12 1.12 3hy1A1 VAL 129 HG13 -1.15 -0.02 -0.19 -0.04 0.97 -0.44 3hy1A1 VAL 129 HG23 -0.92 -0.01 -0.05 -0.04 0.95 -0.06 3hy1A1 THR 130 H 0.05 0.47 0.42 -0.55 8.28 8.67 3hy1A1 THR 130 HA 0.01 0.38 1.06 -0.75 4.39 5.09 3hy1A1 THR 130 HB 0.11 -0.00 0.02 -0.04 4.32 4.41 3hy1A1 THR 130 HG23 -0.09 0.00 -0.16 -0.04 1.22 0.94 3hy1A1 VAL 131 H 0.11 0.67 0.32 -0.55 8.24 8.79 3hy1A1 VAL 131 HA 0.24 0.17 0.92 -0.75 4.13 4.71 3hy1A1 VAL 131 HB 0.28 -0.02 0.07 -0.04 2.12 2.41 3hy1A1 VAL 131 HG13 0.30 -0.02 -0.31 -0.04 0.97 0.90 3hy1A1 VAL 131 HG23 0.25 0.01 -0.20 -0.04 0.95 0.97 3hy1A1 TYR 132 H 0.36 0.16 0.23 -0.55 8.29 8.49 3hy1A1 TYR 132 HA 0.15 0.23 0.75 -0.75 4.56 4.94 3hy1A1 TYR 132 HB2 0.20 0.24 0.35 -0.04 3.06 3.81 3hy1A1 TYR 132 HB3 0.19 -0.14 0.18 -0.04 2.98 3.17 3hy1A1 TYR 132 HD2 0.20 -0.01 0.01 -0.04 7.15 7.31 3hy1A1 TYR 132 HE2 0.15 -0.01 -0.12 -0.04 6.85 6.83 3hy1A1 GLU 133 H -0.39 0.49 0.13 -0.55 8.60 8.29 3hy1A1 GLU 133 HA -0.05 0.10 0.19 -0.75 4.29 3.78 3hy1A1 GLU 133 HB2 -0.18 -0.03 -0.23 -0.04 2.09 1.61 3hy1A1 GLU 133 HB3 -0.33 -0.08 0.05 -0.04 1.99 1.60 3hy1A1 GLU 133 HG2 -0.09 0.05 -0.16 -0.04 2.34 2.10 3hy1A1 GLU 133 HG3 -0.07 0.05 -0.07 -0.04 2.34 2.21 3hy1A1 SER 134 H -0.37 0.04 -0.20 -0.55 8.46 7.38 3hy1A1 SER 134 HA -0.01 0.13 0.34 -0.75 4.49 4.21 3hy1A1 SER 134 HB2 0.24 -0.00 -0.01 -0.04 3.95 4.14 3hy1A1 SER 134 HB3 0.11 0.04 0.11 -0.04 3.93 4.14 3hy1A1 ASP 135 H 0.16 0.47 -0.54 -0.55 8.40 7.93 3hy1A1 ASP 135 HA 0.14 0.03 0.50 -0.75 4.63 4.55 3hy1A1 ASP 135 HB2 0.33 -0.03 0.14 -0.04 2.71 3.11 3hy1A1 ASP 135 HB3 0.24 0.04 0.22 -0.04 2.70 3.16 3hy1A1 ASP 136 H 0.06 0.34 0.31 -0.55 8.40 8.57 3hy1A1 ASP 136 HA 0.06 0.16 0.50 -0.75 4.63 4.60 3hy1A1 ASP 136 HB2 0.02 -0.02 0.15 -0.04 2.71 2.83 3hy1A1 ASP 136 HB3 0.01 0.01 0.03 -0.04 2.70 2.70 3hy1A1 GLU 137 H 0.02 0.11 0.02 -0.55 8.60 8.21 3hy1A1 GLU 137 HA -0.02 0.12 0.42 -0.75 4.29 4.07 3hy1A1 GLU 137 HB2 -0.12 -0.06 0.09 -0.04 2.09 1.96 3hy1A1 GLU 137 HB3 -0.12 0.02 0.00 -0.04 1.99 1.85 3hy1A1 GLU 137 HG2 -0.03 0.06 0.05 -0.04 2.34 2.39 3hy1A1 GLU 137 HG3 -0.01 -0.04 0.12 -0.04 2.34 2.38 3hy1A1 ALA 138 H 0.00 0.08 -0.24 -0.55 8.40 7.69 3hy1A1 ALA 138 HA -0.10 0.04 0.28 -0.75 4.34 3.80 3hy1A1 ALA 138 HB3 0.23 0.05 0.02 -0.04 1.41 1.67 3hy1A1 TYR 139 H 0.26 0.36 -0.26 -0.55 8.29 8.10 3hy1A1 TYR 139 HA 0.22 0.05 0.34 -0.75 4.56 4.42 3hy1A1 TYR 139 HB2 0.08 0.12 0.09 -0.04 3.06 3.31 3hy1A1 TYR 139 HB3 0.05 0.06 0.13 -0.04 2.98 3.17 3hy1A1 TYR 139 HD2 0.04 -0.01 -0.23 -0.04 7.15 6.90 3hy1A1 TYR 139 HE2 0.00 0.07 -0.02 -0.04 6.85 6.87 3hy1A1 GLU 140 H 0.18 0.61 -0.15 -0.55 8.60 8.70 3hy1A1 GLU 140 HA 0.14 0.02 0.39 -0.75 4.29 4.09 3hy1A1 GLU 140 HB2 0.08 0.05 0.13 -0.04 2.09 2.30 3hy1A1 GLU 140 HB3 0.02 0.07 0.16 -0.04 1.99 2.20 3hy1A1 GLU 140 HG2 -0.01 -0.04 -0.14 -0.04 2.34 2.10 3hy1A1 GLU 140 HG3 0.03 -0.01 0.05 -0.04 2.34 2.37 3hy1A1 ILE 141 H -0.06 0.62 -0.15 -0.55 8.25 8.11 3hy1A1 ILE 141 HA -0.17 -0.03 0.48 -0.75 4.18 3.71 3hy1A1 ILE 141 HB -0.37 0.13 0.12 -0.04 1.89 1.74 3hy1A1 ILE 141 HG12 -0.19 -0.04 -0.01 -0.04 1.49 1.20 3hy1A1 ILE 141 HG13 -0.15 0.28 0.02 -0.04 1.21 1.32 3hy1A1 ILE 141 HG23 -0.50 -0.00 -0.16 -0.04 0.93 0.23 3hy1A1 ILE 141 HD13 -0.28 -0.04 -0.26 -0.04 0.88 0.26 3hy1A1 TRP 142 H -0.07 0.62 -0.08 -0.55 7.97 7.89 3hy1A1 TRP 142 HA -0.29 0.01 0.44 -0.75 4.62 4.02 3hy1A1 TRP 142 HB2 -0.27 0.13 0.11 -0.04 3.23 3.17 3hy1A1 TRP 142 HB3 -0.29 0.01 -0.08 -0.04 3.23 2.82 3hy1A1 TRP 142 HD1 -0.06 0.01 -0.25 -0.04 7.22 6.88 3hy1A1 TRP 142 HE1 0.02 -0.07 -0.08 -0.04 10.20 10.03 3hy1A1 TRP 142 HE3 -0.52 -0.02 -0.03 -0.04 7.59 6.99 3hy1A1 TRP 142 HZ2 -0.04 -0.04 -0.11 -0.04 7.44 7.21 3hy1A1 TRP 142 HZ3 -0.42 0.03 -0.08 -0.04 7.13 6.62 3hy1A1 TRP 142 HH2 0.05 -0.00 -0.09 -0.04 7.19 7.11 3hy1A1 GLU 143 H -0.03 0.58 -0.11 -0.55 8.60 8.48 3hy1A1 GLU 143 HA -0.10 0.26 0.51 -0.75 4.29 4.21 3hy1A1 GLU 143 HB2 -0.22 0.01 0.04 -0.04 2.09 1.88 3hy1A1 GLU 143 HB3 0.01 -0.05 0.12 -0.04 1.99 2.03 3hy1A1 GLU 143 HG2 -0.02 0.03 -0.21 -0.04 2.34 2.10 3hy1A1 GLU 143 HG3 -0.03 -0.01 -0.01 -0.04 2.34 2.24 3hy1A1 LYS 144 H -0.05 0.77 0.07 -0.55 8.42 8.66 3hy1A1 LYS 144 HA -0.04 0.14 0.53 -0.75 4.32 4.20 3hy1A1 LYS 144 HB2 -0.05 0.00 0.12 -0.04 1.87 1.90 3hy1A1 LYS 144 HB3 -0.03 -0.04 -0.00 -0.04 1.79 1.68 3hy1A1 LYS 144 HG2 0.01 -0.01 0.10 -0.04 1.46 1.53 3hy1A1 LYS 144 HG3 0.00 -0.07 0.02 -0.04 1.46 1.37 3hy1A1 LYS 144 HD2 -0.01 0.00 -0.03 -0.04 1.69 1.62 3hy1A1 LYS 144 HD3 -0.00 0.05 -0.18 -0.04 1.68 1.51 3hy1A1 LYS 144 HE2 0.02 -0.00 -0.03 -0.04 2.99 2.92 3hy1A1 LYS 144 HE3 0.05 -0.01 -0.05 -0.04 2.99 2.94 3hy1A1 GLU 145 H -0.12 0.21 0.15 -0.55 8.60 8.30 3hy1A1 GLU 145 HA -0.09 0.06 0.35 -0.75 4.29 3.86 3hy1A1 GLU 145 HB2 -0.15 -0.11 0.18 -0.04 2.09 1.98 3hy1A1 GLU 145 HB3 -0.22 0.06 0.04 -0.04 1.99 1.83 3hy1A1 GLU 145 HG2 -0.15 -0.09 -0.00 -0.04 2.34 2.05 3hy1A1 GLU 145 HG3 -0.12 0.04 0.02 -0.04 2.34 2.24 3hy1A1 VAL 146 H -0.21 0.35 -0.07 -0.55 8.24 7.76 3hy1A1 VAL 146 HA -0.27 0.09 0.62 -0.75 4.13 3.82 3hy1A1 VAL 146 HB -0.29 0.11 0.18 -0.04 2.12 2.08 3hy1A1 VAL 146 HG13 -1.26 -0.01 -0.17 -0.04 0.97 -0.52 3hy1A1 VAL 146 HG23 -0.63 -0.00 -0.14 -0.04 0.95 0.14 3hy1A1 GLY 147 H -0.15 0.26 -0.15 -0.55 8.43 7.85 3hy1A1 GLY 147 HA2 -0.07 0.15 0.19 -0.51 4.01 3.77 3hy1A1 GLY 147 HA3 -0.06 0.11 0.73 -0.51 4.01 4.27 3hy1A1 ILE 148 H -0.14 0.48 0.20 -0.55 8.25 8.23 3hy1A1 ILE 148 HA -0.14 0.15 0.66 -0.75 4.18 4.09 3hy1A1 ILE 148 HB -0.14 -0.03 -0.08 -0.04 1.89 1.61 3hy1A1 ILE 148 HG12 -0.26 0.08 -0.07 -0.04 1.49 1.21 3hy1A1 ILE 148 HG13 -0.46 -0.05 -0.14 -0.04 1.21 0.52 3hy1A1 ILE 148 HG23 -0.28 0.03 -0.23 -0.04 0.93 0.41 3hy1A1 ILE 148 HD13 -0.44 -0.02 -0.11 -0.04 0.88 0.27 3hy1A1 PRO 149 HA -0.10 0.06 0.52 -0.51 4.44 4.41 3hy1A1 PRO 149 HB2 -0.22 -0.10 0.03 -0.04 2.28 1.95 3hy1A1 PRO 149 HB3 -0.12 -0.00 0.11 -0.04 2.02 1.96 3hy1A1 PRO 149 HG2 -0.16 0.08 0.08 -0.04 2.03 1.99 3hy1A1 PRO 149 HG3 -0.09 0.07 0.09 -0.04 2.03 2.06 3hy1A1 PRO 149 HD2 -0.19 0.13 0.19 -0.04 3.68 3.76 3hy1A1 PRO 149 HD3 -0.10 0.29 0.26 -0.04 3.65 4.06 3hy1A1 ARG 150 H -0.07 0.17 0.17 -0.55 8.46 8.18 3hy1A1 ARG 150 HA -0.10 0.14 0.39 -0.75 4.34 4.01 3hy1A1 ARG 150 HB2 -0.01 -0.05 0.12 -0.04 1.90 1.92 3hy1A1 ARG 150 HB3 0.06 0.03 -0.01 -0.04 1.80 1.84 3hy1A1 ARG 150 HG2 0.04 0.05 0.05 -0.04 1.67 1.77 3hy1A1 ARG 150 HG3 0.01 0.02 0.08 -0.04 1.67 1.74 3hy1A1 ARG 150 HD2 0.05 -0.01 0.01 -0.04 3.22 3.23 3hy1A1 ARG 150 HD3 0.15 0.00 0.01 -0.04 3.22 3.35 3hy1A1 GLU 151 H -0.09 0.04 -0.21 -0.55 8.60 7.80 3hy1A1 GLU 151 HA -0.03 0.10 0.41 -0.75 4.29 4.01 3hy1A1 GLU 151 HB2 -0.06 0.05 0.04 -0.04 2.09 2.07 3hy1A1 GLU 151 HB3 -0.04 -0.02 0.07 -0.04 1.99 1.95 3hy1A1 GLU 151 HG2 -0.20 0.01 -0.09 -0.04 2.34 2.02 3hy1A1 GLU 151 HG3 -0.13 0.05 -0.05 -0.04 2.34 2.17 3hy1A1 ARG 152 H -0.24 0.29 -0.58 -0.55 8.46 7.38 3hy1A1 ARG 152 HA -0.35 0.22 0.95 -0.75 4.34 4.41 3hy1A1 ARG 152 HB2 -0.50 0.03 0.08 -0.04 1.90 1.47 3hy1A1 ARG 152 HB3 -0.75 -0.01 0.27 -0.04 1.80 1.26 3hy1A1 ARG 152 HG2 -2.16 0.03 -0.09 -0.04 1.67 -0.60 3hy1A1 ARG 152 HG3 -0.76 -0.14 -0.16 -0.04 1.67 0.57 3hy1A1 ARG 152 HD2 -2.54 0.08 0.03 -0.04 3.22 0.75 3hy1A1 ARG 152 HD3 -1.38 -0.04 -0.01 -0.04 3.22 1.74 3hy1A1 ILE 153 H -0.14 0.34 -0.37 -0.55 8.25 7.53 3hy1A1 ILE 153 HA -0.21 0.23 0.93 -0.75 4.18 4.37 3hy1A1 ILE 153 HB -0.35 0.00 0.16 -0.04 1.89 1.66 3hy1A1 ILE 153 HG12 -0.36 -0.02 -0.22 -0.04 1.49 0.85 3hy1A1 ILE 153 HG13 -0.28 0.25 -0.24 -0.04 1.21 0.90 3hy1A1 ILE 153 HG23 -0.37 -0.03 -0.17 -0.04 0.93 0.31 3hy1A1 ILE 153 HD13 -0.42 -0.01 -0.22 -0.04 0.88 0.20 3hy1A1 ILE 154 H -0.01 0.51 0.10 -0.55 8.25 8.30 3hy1A1 ILE 154 HA 0.05 0.09 0.54 -0.75 4.18 4.10 3hy1A1 ILE 154 HB -0.03 -0.05 0.09 -0.04 1.89 1.86 3hy1A1 ILE 154 HG12 -0.03 0.13 -0.02 -0.04 1.49 1.52 3hy1A1 ILE 154 HG13 0.07 0.02 -0.09 -0.04 1.21 1.18 3hy1A1 ILE 154 HG23 -0.02 0.01 -0.23 -0.04 0.93 0.65 3hy1A1 ILE 154 HD13 0.24 -0.01 -0.08 -0.04 0.88 0.99 3hy1A1 ARG 155 H 0.07 0.17 0.21 -0.55 8.46 8.36 3hy1A1 ARG 155 HA 0.11 0.22 0.82 -0.75 4.34 4.74 3hy1A1 ARG 155 HB2 0.03 -0.05 0.08 -0.04 1.90 1.92 3hy1A1 ARG 155 HB3 0.03 -0.07 -0.06 -0.04 1.80 1.66 3hy1A1 ARG 155 HG2 0.24 0.04 -0.11 -0.04 1.67 1.80 3hy1A1 ARG 155 HG3 0.11 0.05 0.08 -0.04 1.67 1.87 3hy1A1 ARG 155 HD2 -0.04 -0.07 0.00 -0.04 3.22 3.07 3hy1A1 ARG 155 HD3 0.00 0.09 -0.03 -0.04 3.22 3.25 3hy1A1 ILE 156 H 0.10 0.74 0.35 -0.55 8.25 8.90 3hy1A1 ILE 156 HA 0.04 0.22 1.10 -0.75 4.18 4.79 3hy1A1 ILE 156 HB 0.19 -0.11 0.11 -0.04 1.89 2.04 3hy1A1 ILE 156 HG12 0.08 0.07 -0.40 -0.04 1.49 1.20 3hy1A1 ILE 156 HG13 0.10 -0.04 -0.13 -0.04 1.21 1.10 3hy1A1 ILE 156 HG23 0.11 0.05 0.04 -0.04 0.93 1.09 3hy1A1 ILE 156 HD13 0.00 0.04 -0.21 -0.04 0.88 0.68 3hy1A1 GLY 157 H 0.01 0.24 0.13 -0.55 8.43 8.26 3hy1A1 GLY 157 HA2 -0.19 0.02 0.66 -0.51 4.01 3.99 3hy1A1 GLY 157 HA3 -0.04 0.12 0.34 -0.51 4.01 3.92 3hy1A1 ASP 158 H 0.05 0.17 0.07 -0.55 8.40 8.14 3hy1A1 ASP 158 HA 0.25 0.02 0.19 -0.75 4.63 4.34 3hy1A1 ASP 158 HB2 0.06 0.04 0.17 -0.04 2.71 2.94 3hy1A1 ASP 158 HB3 0.11 0.07 0.19 -0.04 2.70 3.03 3hy1A1 ASN 159 H 0.13 0.34 0.36 -0.55 8.53 8.82 3hy1A1 ASN 159 HA 0.04 0.04 -0.05 -0.75 4.76 4.04 3hy1A1 ASN 159 HB2 0.04 0.03 0.09 -0.04 2.88 3.00 3hy1A1 ASN 159 HB3 0.07 0.02 0.09 -0.04 2.79 2.93 3hy1A1 ASN 159 HD21 0.06 -0.01 -0.04 -0.04 7.03 7.00 3hy1A1 ASN 159 HD22 0.04 0.02 0.02 -0.04 7.74 7.77 3hy1A1 LYS 160 H 0.08 0.86 -0.05 -0.55 8.42 8.75 3hy1A1 LYS 160 HA 0.04 0.14 0.71 -0.75 4.32 4.45 3hy1A1 LYS 160 HB2 0.06 -0.04 -0.04 -0.04 1.87 1.81 3hy1A1 LYS 160 HB3 0.04 0.01 0.06 -0.04 1.79 1.86 3hy1A1 LYS 160 HG2 0.06 0.03 -0.09 -0.04 1.46 1.42 3hy1A1 LYS 160 HG3 0.08 -0.11 -0.27 -0.04 1.46 1.12 3hy1A1 LYS 160 HD2 0.07 -0.05 -0.27 -0.04 1.69 1.40 3hy1A1 LYS 160 HD3 0.05 0.03 -0.10 -0.04 1.68 1.62 3hy1A1 LYS 160 HE2 0.07 0.01 -0.11 -0.04 2.99 2.92 3hy1A1 LYS 160 HE3 0.10 -0.06 -0.25 -0.04 2.99 2.75 3hy1A1 GLY 161 H 0.03 0.32 -0.19 -0.55 8.43 8.05 3hy1A1 GLY 161 HA2 0.01 -0.00 0.26 -0.51 4.01 3.76 3hy1A1 GLY 161 HA3 0.01 0.07 0.29 -0.51 4.01 3.87 3hy1A1 ALA 162 H 0.01 0.13 -0.14 -0.55 8.40 7.85 3hy1A1 ALA 162 HA -0.04 0.14 0.12 -0.75 4.34 3.81 3hy1A1 ALA 162 HB3 -0.04 0.03 0.07 -0.04 1.41 1.43 3hy1A1 PRO 163 HA -0.17 0.00 0.58 -0.51 4.44 4.35 3hy1A1 PRO 163 HB2 -0.47 0.02 -0.06 -0.04 2.28 1.73 3hy1A1 PRO 163 HB3 -0.20 0.02 0.10 -0.04 2.02 1.90 3hy1A1 PRO 163 HG2 -0.20 0.06 -0.01 -0.04 2.03 1.84 3hy1A1 PRO 163 HG3 -0.14 0.06 0.03 -0.04 2.03 1.94 3hy1A1 PRO 163 HD2 -0.09 0.15 0.19 -0.04 3.68 3.88 3hy1A1 PRO 163 HD3 -0.08 0.15 0.08 -0.04 3.65 3.75 3hy1A1 TYR 164 H -2.52 0.10 0.04 -0.55 8.29 5.36 3hy1A1 TYR 164 HA 0.01 0.05 0.23 -0.75 4.56 4.09 3hy1A1 TYR 164 HB2 -0.23 0.03 0.05 -0.04 3.06 2.86 3hy1A1 TYR 164 HB3 0.02 -0.06 0.04 -0.04 2.98 2.94 3hy1A1 TYR 164 HD2 -0.25 0.02 0.09 -0.04 7.15 6.97 3hy1A1 TYR 164 HE2 -0.26 0.05 -0.02 -0.04 6.85 6.58 3hy1A1 ALA 165 H 0.04 1.23 -0.06 -0.55 8.40 9.07 3hy1A1 ALA 165 HA 0.09 0.19 0.66 -0.75 4.34 4.53 3hy1A1 ALA 165 HB3 0.03 -0.05 -0.02 -0.04 1.41 1.34 3hy1A1 SER 166 H 0.18 0.54 0.06 -0.55 8.46 8.69 3hy1A1 SER 166 HA 0.20 0.03 0.89 -0.75 4.49 4.85 3hy1A1 SER 166 HB2 0.38 -0.06 -0.43 -0.04 3.95 3.79 3hy1A1 SER 166 HB3 0.30 0.07 -0.14 -0.04 3.93 4.11 3hy1A1 ASP 167 H 0.18 0.17 0.12 -0.55 8.40 8.32 3hy1A1 ASP 167 HA 0.19 0.21 0.70 -0.75 4.63 4.97 3hy1A1 ASP 167 HB2 0.16 -0.03 0.06 -0.04 2.71 2.86 3hy1A1 ASP 167 HB3 0.20 0.05 0.00 -0.04 2.70 2.90 3hy1A1 ASN 168 H 0.28 0.02 -0.19 -0.55 8.53 8.10 3hy1A1 ASN 168 HA 0.19 0.32 0.86 -0.75 4.76 5.38 3hy1A1 ASN 168 HB2 0.42 0.02 0.05 -0.04 2.88 3.34 3hy1A1 ASN 168 HB3 0.35 -0.07 0.24 -0.04 2.79 3.27 3hy1A1 ASN 168 HD21 0.19 -0.07 -0.31 -0.04 7.03 6.80 3hy1A1 ASN 168 HD22 0.21 0.70 0.26 -0.04 7.74 8.87 3hy1A1 PHE 169 H 0.23 0.29 -0.61 -0.55 8.34 7.70 3hy1A1 PHE 169 HA -0.12 0.12 0.54 -0.75 4.62 4.40 3hy1A1 PHE 169 HB2 -0.63 -0.11 -0.11 -0.04 3.15 2.26 3hy1A1 PHE 169 HB3 -0.09 0.09 0.07 -0.04 3.06 3.10 3hy1A1 PHE 169 HD2 -0.47 -0.00 -0.18 -0.04 7.28 6.58 3hy1A1 PHE 169 HE2 -0.13 0.02 -0.10 -0.04 7.38 7.13 3hy1A1 PHE 169 HZ -0.10 0.03 -0.12 -0.04 7.32 7.09 3hy1A1 TRP 170 H -0.07 0.41 0.05 -0.55 7.97 7.81 3hy1A1 TRP 170 HA 0.05 0.16 0.63 -0.75 4.62 4.71 3hy1A1 TRP 170 HB2 -0.03 -0.02 -0.10 -0.04 3.23 3.04 3hy1A1 TRP 170 HB3 -0.10 -0.02 -0.02 -0.04 3.23 3.04 3hy1A1 TRP 170 HD1 0.08 0.01 -0.07 -0.04 7.22 7.20 3hy1A1 TRP 170 HE1 0.14 -0.02 -0.06 -0.04 10.20 10.22 3hy1A1 TRP 170 HE3 -0.05 -0.05 -0.39 -0.04 7.59 7.07 3hy1A1 TRP 170 HZ2 -0.04 -0.02 -0.09 -0.04 7.44 7.25 3hy1A1 TRP 170 HZ3 -0.01 0.01 -0.22 -0.04 7.13 6.87 3hy1A1 TRP 170 HH2 0.03 -0.11 -0.11 -0.04 7.19 6.95 3hy1A1 GLN 171 H -0.64 0.24 0.16 -0.55 8.47 7.68 3hy1A1 GLN 171 HA -0.21 0.16 0.89 -0.75 4.36 4.45 3hy1A1 GLN 171 HB2 -0.23 0.02 -0.03 -0.04 2.15 1.87 3hy1A1 GLN 171 HB3 -0.11 0.04 -0.06 -0.04 2.02 1.85 3hy1A1 GLN 171 HG2 0.21 -0.02 -0.28 -0.04 2.40 2.26 3hy1A1 GLN 171 HG3 0.12 0.05 -0.19 -0.04 2.39 2.33 3hy1A1 GLN 171 HE21 0.12 -0.00 -0.06 -0.04 6.97 6.98 3hy1A1 GLN 171 HE22 0.20 0.07 -0.04 -0.04 7.69 7.87 3hy1A1 MET 172 H -0.22 0.33 -0.02 -0.55 8.47 8.01 3hy1A1 MET 172 HA -0.61 -0.01 0.34 -0.75 4.52 3.48 3hy1A1 MET 172 HB2 0.13 0.12 0.06 -0.04 2.15 2.42 3hy1A1 MET 172 HB3 0.01 0.09 0.04 -0.04 2.03 2.13 3hy1A1 MET 172 HG2 0.09 -0.03 -0.26 -0.04 2.63 2.39 3hy1A1 MET 172 HG3 0.22 -0.11 -0.03 -0.04 2.56 2.59 3hy1A1 MET 172 HE3 0.10 -0.03 -0.04 -0.04 2.10 2.10 3hy1A1 GLY 173 H -0.10 0.22 -0.23 -0.55 8.43 7.78 3hy1A1 GLY 173 HA2 -0.10 0.09 0.31 -0.51 4.01 3.80 3hy1A1 GLY 173 HA3 0.00 -0.07 0.37 -0.51 4.01 3.80 3hy1A1 ASP 174 H -0.01 0.09 0.11 -0.55 8.40 8.04 3hy1A1 ASP 174 HA -0.02 0.13 0.53 -0.75 4.63 4.51 3hy1A1 ASP 174 HB2 -0.00 0.06 -0.04 -0.04 2.71 2.69 3hy1A1 ASP 174 HB3 -0.01 0.02 0.09 -0.04 2.70 2.75 3hy1A1 THR 175 H 0.01 0.05 -0.06 -0.55 8.28 7.74 3hy1A1 THR 175 HA 0.03 0.22 0.57 -0.75 4.39 4.45 3hy1A1 THR 175 HB 0.04 0.21 0.08 -0.04 4.32 4.61 3hy1A1 THR 175 HG23 0.02 -0.03 -0.36 -0.04 1.22 0.81 3hy1A1 GLY 176 H 0.06 0.57 0.24 -0.55 8.43 8.75 3hy1A1 GLY 176 HA2 0.08 0.05 0.28 -0.51 4.01 3.91 3hy1A1 GLY 176 HA3 0.08 0.15 0.86 -0.51 4.01 4.58 3hy1A1 PRO 177 HA 0.10 0.37 0.66 -0.51 4.44 5.06 3hy1A1 PRO 177 HB2 -0.07 0.00 -0.07 -0.04 2.28 2.11 3hy1A1 PRO 177 HB3 0.10 0.08 0.03 -0.04 2.02 2.20 3hy1A1 PRO 177 HG2 0.11 -0.04 0.05 -0.04 2.03 2.11 3hy1A1 PRO 177 HG3 0.21 0.10 0.09 -0.04 2.03 2.39 3hy1A1 PRO 177 HD2 0.13 0.06 0.23 -0.04 3.68 4.06 3hy1A1 PRO 177 HD3 0.14 0.16 0.15 -0.04 3.65 4.06 3hy1A1 CYS 178 H 0.10 0.69 0.40 -0.55 8.50 9.14 3hy1A1 CYS 178 HA 0.11 0.15 0.62 -0.75 4.58 4.70 3hy1A1 CYS 178 HB2 0.02 0.08 0.11 -0.04 2.97 3.14 3hy1A1 CYS 178 HB3 0.06 -0.05 -0.14 -0.04 2.97 2.80 3hy1A1 GLY 179 H -0.46 0.53 0.23 -0.55 8.43 8.18 3hy1A1 GLY 179 HA2 -0.35 -0.02 0.41 -0.51 4.01 3.54 3hy1A1 GLY 179 HA3 -0.14 0.29 0.72 -0.51 4.01 4.37 3hy1A1 PRO 180 HA -0.30 0.19 0.75 -0.51 4.44 4.57 3hy1A1 PRO 180 HB2 0.24 -0.02 0.12 -0.04 2.28 2.57 3hy1A1 PRO 180 HB3 0.11 -0.03 0.22 -0.04 2.02 2.28 3hy1A1 PRO 180 HG2 0.23 0.03 0.17 -0.04 2.03 2.42 3hy1A1 PRO 180 HG3 0.23 0.00 0.13 -0.04 2.03 2.36 3hy1A1 PRO 180 HD2 0.05 0.25 0.38 -0.04 3.68 4.33 3hy1A1 PRO 180 HD3 0.21 0.09 0.24 -0.04 3.65 4.15 3hy1A1 CYS 181 H 0.04 0.56 0.34 -0.55 8.50 8.90 3hy1A1 CYS 181 HA -0.35 0.15 1.02 -0.75 4.58 4.65 3hy1A1 CYS 181 HB2 -0.17 0.06 -0.25 -0.04 2.97 2.57 3hy1A1 CYS 181 HB3 -0.12 -0.02 -0.24 -0.04 2.97 2.55 3hy1A1 THR 182 H -0.25 0.59 0.39 -0.55 8.28 8.46 3hy1A1 THR 182 HA 0.16 0.28 1.12 -0.75 4.39 5.19 3hy1A1 THR 182 HB 0.39 -0.13 0.11 -0.04 4.32 4.65 3hy1A1 THR 182 HG23 0.15 -0.01 0.07 -0.04 1.22 1.39 3hy1A1 GLU 183 H 0.15 0.36 0.35 -0.55 8.60 8.92 3hy1A1 GLU 183 HA 0.05 0.34 1.23 -0.75 4.29 5.16 3hy1A1 GLU 183 HB2 0.31 -0.04 0.04 -0.04 2.09 2.36 3hy1A1 GLU 183 HB3 -0.13 0.02 -0.06 -0.04 1.99 1.78 3hy1A1 GLU 183 HG2 -0.00 -0.00 -0.07 -0.04 2.34 2.22 3hy1A1 GLU 183 HG3 0.06 -0.09 -0.42 -0.04 2.34 1.86 3hy1A1 ILE 184 H 0.05 0.54 0.40 -0.55 8.25 8.68 3hy1A1 ILE 184 HA 0.13 0.33 1.19 -0.75 4.18 5.07 3hy1A1 ILE 184 HB 0.25 -0.14 0.22 -0.04 1.89 2.18 3hy1A1 ILE 184 HG12 0.07 0.06 -0.11 -0.04 1.49 1.47 3hy1A1 ILE 184 HG13 0.13 -0.04 -0.11 -0.04 1.21 1.15 3hy1A1 ILE 184 HG23 0.26 0.03 -0.08 -0.04 0.93 1.10 3hy1A1 ILE 184 HD13 0.28 -0.00 -0.10 -0.04 0.88 1.01 3hy1A1 PHE 185 H 0.43 0.95 0.42 -0.55 8.34 9.59 3hy1A1 PHE 185 HA 0.15 0.23 0.98 -0.75 4.62 5.23 3hy1A1 PHE 185 HB2 0.17 -0.01 -0.03 -0.04 3.15 3.23 3hy1A1 PHE 185 HB3 0.12 0.04 -0.26 -0.04 3.06 2.92 3hy1A1 PHE 185 HD2 0.06 0.15 -0.45 -0.04 7.28 7.00 3hy1A1 PHE 185 HE2 0.04 -0.00 -0.12 -0.04 7.38 7.25 3hy1A1 PHE 185 HZ 0.04 -0.04 -0.10 -0.04 7.32 7.18 3hy1A1 TYR 186 H 0.30 0.57 0.27 -0.55 8.29 8.88 3hy1A1 TYR 186 HA 0.17 0.22 0.90 -0.75 4.56 5.10 3hy1A1 TYR 186 HB2 0.03 -0.03 -0.05 -0.04 3.06 2.97 3hy1A1 TYR 186 HB3 -0.03 -0.02 0.10 -0.04 2.98 2.98 3hy1A1 TYR 186 HD2 -0.42 -0.03 -0.18 -0.04 7.15 6.47 3hy1A1 TYR 186 HE2 -0.32 -0.01 -0.02 -0.04 6.85 6.45 3hy1A1 ASP 187 H -0.39 0.40 0.13 -0.55 8.40 8.00 3hy1A1 ASP 187 HA -0.58 0.10 0.68 -0.75 4.63 4.07 3hy1A1 ASP 187 HB2 -0.09 0.13 0.09 -0.04 2.71 2.80 3hy1A1 ASP 187 HB3 -0.24 -0.01 0.21 -0.04 2.70 2.61 3hy1A1 HIS 188 H -0.16 0.75 0.31 -0.55 8.41 8.76 3hy1A1 HIS 188 HA 0.03 0.12 0.65 -0.75 4.63 4.68 3hy1A1 HIS 188 HB2 -0.10 0.12 0.26 -0.04 3.26 3.51 3hy1A1 HIS 188 HB3 -0.03 -0.10 0.14 -0.04 3.20 3.16 3hy1A1 HIS 188 HD2 0.11 0.09 0.08 -0.04 6.97 7.20 3hy1A1 HIS 188 HE1 0.01 0.07 -0.18 -0.04 7.75 7.60 3hy1A1 GLY 189 H -0.33 -0.00 -0.24 -0.55 8.43 7.30 3hy1A1 GLY 189 HA2 -0.16 0.04 0.19 -0.51 4.01 3.57 3hy1A1 GLY 189 HA3 -0.08 0.15 0.33 -0.51 4.01 3.91 3hy1A1 ASP 190 H -0.00 0.14 0.11 -0.55 8.40 8.10 3hy1A1 ASP 190 HA -0.08 0.11 -0.05 -0.75 4.63 3.87 3hy1A1 ASP 190 HB2 0.04 0.03 -0.00 -0.04 2.71 2.74 3hy1A1 ASP 190 HB3 0.01 0.01 0.08 -0.04 2.70 2.75 3hy1A1 HIS 191 H -0.04 0.06 -0.25 -0.55 8.41 7.63 3hy1A1 HIS 191 HA 0.03 0.06 0.41 -0.75 4.63 4.39 3hy1A1 HIS 191 HB2 0.03 -0.02 0.01 -0.04 3.26 3.25 3hy1A1 HIS 191 HB3 0.03 -0.03 0.05 -0.04 3.20 3.20 3hy1A1 HIS 191 HD2 0.03 -0.05 -0.11 -0.04 6.97 6.79 3hy1A1 HIS 191 HE1 0.05 0.09 0.03 -0.04 7.75 7.87 3hy1A1 ILE 192 H -0.41 0.31 -0.15 -0.55 8.25 7.46 3hy1A1 ILE 192 HA 0.05 0.02 0.56 -0.75 4.18 4.05 3hy1A1 ILE 192 HB -0.12 -0.01 -0.18 -0.04 1.89 1.53 3hy1A1 ILE 192 HG12 -0.50 0.05 -0.07 -0.04 1.49 0.93 3hy1A1 ILE 192 HG13 -0.15 0.06 -0.11 -0.04 1.21 0.98 3hy1A1 ILE 192 HG23 0.04 0.03 -0.19 -0.04 0.93 0.78 3hy1A1 ILE 192 HD13 0.02 -0.02 -0.12 -0.04 0.88 0.73 3hy1A1 TRP 193 H 0.26 0.06 0.14 -0.55 7.97 7.89 3hy1A1 TRP 193 HA -0.01 0.15 0.64 -0.75 4.62 4.65 3hy1A1 TRP 193 HB2 0.00 0.06 0.12 -0.04 3.23 3.37 3hy1A1 TRP 193 HB3 0.00 -0.06 0.16 -0.04 3.23 3.28 3hy1A1 TRP 193 HD1 0.01 0.04 0.02 -0.04 7.22 7.25 3hy1A1 TRP 193 HE1 0.00 0.00 -0.02 -0.04 10.20 10.15 3hy1A1 TRP 193 HE3 0.01 -0.09 -0.10 -0.04 7.59 7.38 3hy1A1 TRP 193 HZ2 0.00 0.01 -0.03 -0.04 7.44 7.38 3hy1A1 TRP 193 HZ3 0.02 -0.02 -0.07 -0.04 7.13 7.02 3hy1A1 TRP 193 HH2 0.01 0.00 -0.02 -0.04 7.19 7.14 3hy1A1 GLY 194 H -0.69 0.18 0.10 -0.55 8.43 7.48 3hy1A1 GLY 194 HA2 -1.11 0.03 0.39 -0.51 4.01 2.81 3hy1A1 GLY 194 HA3 -0.31 0.04 0.64 -0.51 4.01 3.86 3hy1A1 GLY 195 H -0.41 0.46 -0.01 -0.55 8.43 7.93 3hy1A1 GLY 195 HA2 -0.19 0.21 0.79 -0.51 4.01 4.31 3hy1A1 GLY 195 HA3 -0.33 -0.08 0.20 -0.51 4.01 3.29 3hy1A1 PRO 196 HA -1.45 0.11 0.33 -0.51 4.44 2.92 3hy1A1 PRO 196 HB2 -0.72 0.16 -0.01 -0.04 2.28 1.67 3hy1A1 PRO 196 HB3 -1.88 0.04 0.07 -0.04 2.02 0.20 3hy1A1 PRO 196 HG2 -0.43 0.01 -0.07 -0.04 2.03 1.50 3hy1A1 PRO 196 HG3 -0.57 0.06 0.02 -0.04 2.03 1.50 3hy1A1 PRO 196 HD2 -0.43 0.00 0.14 -0.04 3.68 3.36 3hy1A1 PRO 196 HD3 -0.82 0.16 0.11 -0.04 3.65 3.07 3hy1A1 PRO 197 HA -0.30 0.03 0.51 -0.51 4.44 4.17 3hy1A1 PRO 197 HB2 -0.35 0.02 -0.08 -0.04 2.28 1.84 3hy1A1 PRO 197 HB3 -0.42 -0.02 0.02 -0.04 2.02 1.56 3hy1A1 PRO 197 HG2 -1.23 0.03 -0.08 -0.04 2.03 0.70 3hy1A1 PRO 197 HG3 -1.78 0.10 -0.03 -0.04 2.03 0.28 3hy1A1 PRO 197 HD2 -0.61 0.12 0.11 -0.04 3.68 3.26 3hy1A1 PRO 197 HD3 -0.90 0.14 0.12 -0.04 3.65 2.97 3hy1A1 GLY 198 H -0.11 0.11 0.14 -0.55 8.43 8.02 3hy1A1 GLY 198 HA2 -0.05 -0.04 0.30 -0.51 4.01 3.71 3hy1A1 GLY 198 HA3 -0.08 0.12 0.50 -0.51 4.01 4.05 3hy1A1 SER 199 H -0.17 0.19 -0.17 -0.55 8.46 7.77 3hy1A1 SER 199 HA -0.11 0.23 0.83 -0.75 4.49 4.69 3hy1A1 SER 199 HB2 -0.18 -0.02 -0.01 -0.04 3.95 3.70 3hy1A1 SER 199 HB3 -0.26 0.12 -0.30 -0.04 3.93 3.46 3hy1A1 PRO 200 HA -0.02 0.08 0.22 -0.51 4.44 4.20 3hy1A1 PRO 200 HB2 -0.04 0.00 0.06 -0.04 2.28 2.27 3hy1A1 PRO 200 HB3 0.00 0.04 0.08 -0.04 2.02 2.11 3hy1A1 PRO 200 HG2 -0.04 0.05 0.08 -0.04 2.03 2.09 3hy1A1 PRO 200 HG3 -0.03 0.06 0.10 -0.04 2.03 2.12 3hy1A1 PRO 200 HD2 -0.10 0.10 0.14 -0.04 3.68 3.77 3hy1A1 PRO 200 HD3 -0.07 0.20 0.21 -0.04 3.65 3.95 3hy1A1 GLU 201 H -0.19 0.12 -0.47 -0.55 8.60 7.52 3hy1A1 GLU 201 HA -0.10 0.17 0.48 -0.75 4.29 4.08 3hy1A1 GLU 201 HB2 -0.82 -0.18 0.19 -0.04 2.09 1.23 3hy1A1 GLU 201 HB3 -1.00 0.06 0.06 -0.04 1.99 1.06 3hy1A1 GLU 201 HG2 -0.13 0.05 -0.06 -0.04 2.34 2.16 3hy1A1 GLU 201 HG3 -0.23 -0.03 -0.00 -0.04 2.34 2.04 3hy1A1 GLU 202 H -0.10 0.51 -0.37 -0.55 8.60 8.10 3hy1A1 GLU 202 HA -0.20 0.36 0.23 -0.75 4.29 3.93 3hy1A1 GLU 202 HB2 -0.12 -0.07 0.06 -0.04 2.09 1.92 3hy1A1 GLU 202 HB3 -0.14 -0.02 0.17 -0.04 1.99 1.96 3hy1A1 GLU 202 HG2 -0.02 0.09 0.03 -0.04 2.34 2.40 3hy1A1 GLU 202 HG3 0.01 0.02 -0.19 -0.04 2.34 2.13 3hy1A1 ASP 203 H 0.03 0.04 -0.25 -0.55 8.40 7.67 3hy1A1 ASP 203 HA 0.11 0.07 0.40 -0.75 4.63 4.46 3hy1A1 ASP 203 HB2 0.18 -0.03 0.05 -0.04 2.71 2.87 3hy1A1 ASP 203 HB3 0.18 -0.00 -0.06 -0.04 2.70 2.78 3hy1A1 GLY 204 H -0.03 0.14 -0.28 -0.55 8.43 7.72 3hy1A1 GLY 204 HA2 0.43 -0.03 0.33 -0.51 4.01 4.23 3hy1A1 GLY 204 HA3 0.06 0.09 0.33 -0.51 4.01 3.97 3hy1A1 ASP 205 H 0.20 0.15 0.17 -0.55 8.40 8.37 3hy1A1 ASP 205 HA 0.07 0.16 0.12 -0.75 4.63 4.23 3hy1A1 ASP 205 HB2 0.08 0.01 0.12 -0.04 2.71 2.88 3hy1A1 ASP 205 HB3 -0.01 0.05 0.13 -0.04 2.70 2.83 3hy1A1 ARG 206 H 0.00 0.18 -0.62 -0.55 8.46 7.46 3hy1A1 ARG 206 HA -0.09 0.06 0.47 -0.75 4.34 4.03 3hy1A1 ARG 206 HB2 -0.13 0.04 -0.41 -0.04 1.90 1.35 3hy1A1 ARG 206 HB3 -0.14 -0.00 -0.25 -0.04 1.80 1.36 3hy1A1 ARG 206 HG2 -0.76 -0.15 -0.33 -0.04 1.67 0.39 3hy1A1 ARG 206 HG3 -0.32 0.11 -0.09 -0.04 1.67 1.33 3hy1A1 ARG 206 HD2 -0.20 0.25 -0.19 -0.04 3.22 3.04 3hy1A1 ARG 206 HD3 -0.24 0.13 -0.18 -0.04 3.22 2.89 3hy1A1 TYR 207 H 0.10 0.21 -0.19 -0.55 8.29 7.86 3hy1A1 TYR 207 HA -0.01 0.28 0.70 -0.75 4.56 4.77 3hy1A1 TYR 207 HB2 -0.20 0.16 0.01 -0.04 3.06 2.99 3hy1A1 TYR 207 HB3 -0.18 -0.05 -0.13 -0.04 2.98 2.57 3hy1A1 TYR 207 HD2 -0.50 0.06 -0.39 -0.04 7.15 6.27 3hy1A1 TYR 207 HE2 -0.66 0.11 -0.10 -0.04 6.85 6.16 3hy1A1 ILE 208 H 0.24 0.60 0.17 -0.55 8.25 8.71 3hy1A1 ILE 208 HA 0.15 0.11 0.54 -0.75 4.18 4.22 3hy1A1 ILE 208 HB 0.24 -0.01 0.07 -0.04 1.89 2.15 3hy1A1 ILE 208 HG12 0.21 0.14 -0.25 -0.04 1.49 1.55 3hy1A1 ILE 208 HG13 0.08 0.03 -0.01 -0.04 1.21 1.26 3hy1A1 ILE 208 HG23 -0.01 -0.02 -0.19 -0.04 0.93 0.67 3hy1A1 ILE 208 HD13 0.01 0.00 -0.11 -0.04 0.88 0.74 3hy1A1 GLU 209 H -0.03 0.17 0.13 -0.55 8.60 8.32 3hy1A1 GLU 209 HA -0.94 0.11 0.57 -0.75 4.29 3.27 3hy1A1 GLU 209 HB2 -0.51 0.05 0.04 -0.04 2.09 1.62 3hy1A1 GLU 209 HB3 -0.19 -0.02 0.13 -0.04 1.99 1.88 3hy1A1 GLU 209 HG2 -0.22 -0.04 -0.40 -0.04 2.34 1.64 3hy1A1 GLU 209 HG3 -0.57 -0.01 -0.14 -0.04 2.34 1.57 3hy1A1 ILE 210 H -0.15 0.72 0.46 -0.55 8.25 8.72 3hy1A1 ILE 210 HA -0.07 0.07 0.73 -0.75 4.18 4.15 3hy1A1 ILE 210 HB 0.12 0.10 0.13 -0.04 1.89 2.20 3hy1A1 ILE 210 HG12 0.07 0.18 0.00 -0.04 1.49 1.70 3hy1A1 ILE 210 HG13 0.07 0.02 -0.06 -0.04 1.21 1.20 3hy1A1 ILE 210 HG23 -0.01 -0.03 -0.09 -0.04 0.93 0.76 3hy1A1 ILE 210 HD13 -0.01 -0.01 -0.24 -0.04 0.88 0.57 3hy1A1 TRP 211 H 0.09 0.29 0.26 -0.55 7.97 8.06 3hy1A1 TRP 211 HA -0.07 0.23 1.13 -0.75 4.62 5.16 3hy1A1 TRP 211 HB2 0.03 0.01 -0.14 -0.04 3.23 3.09 3hy1A1 TRP 211 HB3 0.06 -0.05 0.11 -0.04 3.23 3.31 3hy1A1 TRP 211 HD1 -0.05 0.15 -0.21 -0.04 7.22 7.07 3hy1A1 TRP 211 HE1 -0.01 -0.11 -0.14 -0.04 10.20 9.90 3hy1A1 TRP 211 HE3 0.13 0.02 -0.06 -0.04 7.59 7.63 3hy1A1 TRP 211 HZ2 0.35 -0.04 -0.12 -0.04 7.44 7.59 3hy1A1 TRP 211 HZ3 0.05 0.10 -0.00 -0.04 7.13 7.24 3hy1A1 TRP 211 HH2 0.19 0.03 -0.11 -0.04 7.19 7.26 3hy1A1 ASN 212 H 0.21 0.62 0.35 -0.55 8.53 9.16 3hy1A1 ASN 212 HA 0.03 0.21 1.08 -0.75 4.76 5.33 3hy1A1 ASN 212 HB2 -0.04 0.00 0.01 -0.04 2.88 2.82 3hy1A1 ASN 212 HB3 -0.12 -0.04 0.14 -0.04 2.79 2.73 3hy1A1 ASN 212 HD21 -0.13 -0.01 -0.15 -0.04 7.03 6.69 3hy1A1 ASN 212 HD22 -0.37 -0.02 -0.09 -0.04 7.74 7.22 3hy1A1 ILE 213 H -0.11 0.70 0.27 -0.55 8.25 8.56 3hy1A1 ILE 213 HA -0.17 0.14 1.00 -0.75 4.18 4.40 3hy1A1 ILE 213 HB -0.25 0.01 0.21 -0.04 1.89 1.82 3hy1A1 ILE 213 HG12 -0.41 0.00 -0.17 -0.04 1.49 0.87 3hy1A1 ILE 213 HG13 -0.33 -0.02 -0.41 -0.04 1.21 0.40 3hy1A1 ILE 213 HG23 -0.35 -0.02 -0.23 -0.04 0.93 0.28 3hy1A1 ILE 213 HD13 -0.36 0.00 -0.15 -0.04 0.88 0.33 3hy1A1 VAL 214 H -0.27 0.90 0.30 -0.55 8.24 8.62 3hy1A1 VAL 214 HA -0.36 0.09 0.78 -0.75 4.13 3.89 3hy1A1 VAL 214 HB -0.23 -0.01 0.14 -0.04 2.12 1.98 3hy1A1 VAL 214 HG13 0.00 0.02 -0.33 -0.04 0.97 0.62 3hy1A1 VAL 214 HG23 -0.42 -0.01 -0.15 -0.04 0.95 0.33 3hy1A1 PHE 215 H -0.38 0.59 0.31 -0.55 8.34 8.31 3hy1A1 PHE 215 HA 0.01 0.12 0.83 -0.75 4.62 4.83 3hy1A1 PHE 215 HB2 -0.07 0.04 0.25 -0.04 3.15 3.32 3hy1A1 PHE 215 HB3 -0.29 -0.02 0.06 -0.04 3.06 2.77 3hy1A1 PHE 215 HD2 -0.26 0.04 -0.12 -0.04 7.28 6.90 3hy1A1 PHE 215 HE2 -0.12 -0.03 -0.10 -0.04 7.38 7.09 3hy1A1 PHE 215 HZ -0.13 0.03 -0.03 -0.04 7.32 7.14 3hy1A1 MET 216 H 0.15 0.42 0.23 -0.55 8.47 8.73 3hy1A1 MET 216 HA 0.00 0.01 0.19 -0.75 4.52 3.97 3hy1A1 MET 216 HB2 0.04 -0.01 0.06 -0.04 2.15 2.19 3hy1A1 MET 216 HB3 -0.05 0.04 -0.05 -0.04 2.03 1.93 3hy1A1 MET 216 HG2 -0.17 0.02 -0.16 -0.04 2.63 2.27 3hy1A1 MET 216 HG3 -0.77 -0.02 -0.17 -0.04 2.56 1.55 3hy1A1 MET 216 HE3 -0.06 -0.00 -0.20 -0.04 2.10 1.81 3hy1A1 GLN 217 H -0.03 0.40 0.59 -0.55 8.47 8.88 3hy1A1 GLN 217 HA -0.18 0.15 1.01 -0.75 4.36 4.57 3hy1A1 GLN 217 HB2 -0.47 -0.04 0.28 -0.04 2.15 1.88 3hy1A1 GLN 217 HB3 -0.85 -0.04 0.11 -0.04 2.02 1.20 3hy1A1 GLN 217 HG2 0.15 0.16 -0.22 -0.04 2.40 2.46 3hy1A1 GLN 217 HG3 0.04 -0.08 0.13 -0.04 2.39 2.44 3hy1A1 GLN 217 HE21 0.23 -0.04 0.03 -0.04 6.97 7.15 3hy1A1 GLN 217 HE22 0.21 -0.04 0.04 -0.04 7.69 7.86 3hy1A1 PHE 218 H 0.07 0.50 0.41 -0.55 8.34 8.77 3hy1A1 PHE 218 HA 0.07 0.22 0.99 -0.75 4.62 5.14 3hy1A1 PHE 218 HB2 0.13 -0.08 -0.10 -0.04 3.15 3.06 3hy1A1 PHE 218 HB3 0.10 0.10 -0.09 -0.04 3.06 3.13 3hy1A1 PHE 218 HD2 0.15 0.05 -0.20 -0.04 7.28 7.24 3hy1A1 PHE 218 HE2 0.13 -0.02 -0.01 -0.04 7.38 7.44 3hy1A1 PHE 218 HZ 0.11 -0.03 -0.01 -0.04 7.32 7.35 3hy1A1 ASN 219 H 0.25 0.96 0.22 -0.55 8.53 9.41 3hy1A1 ASN 219 HA 0.14 0.15 0.59 -0.75 4.76 4.89 3hy1A1 ASN 219 HB2 0.11 0.03 -0.19 -0.04 2.88 2.79 3hy1A1 ASN 219 HB3 0.11 0.06 -0.07 -0.04 2.79 2.85 3hy1A1 ASN 219 HD21 0.07 -0.00 -0.16 -0.04 7.03 6.89 3hy1A1 ASN 219 HD22 0.08 0.04 -0.14 -0.04 7.74 7.68 3hy1A1 ARG 220 H 0.10 0.61 0.09 -0.55 8.46 8.70 3hy1A1 ARG 220 HA 0.07 0.21 0.78 -0.75 4.34 4.66 3hy1A1 ARG 220 HB2 0.09 -0.01 -0.04 -0.04 1.90 1.90 3hy1A1 ARG 220 HB3 0.06 -0.10 0.13 -0.04 1.80 1.84 3hy1A1 ARG 220 HG2 0.03 0.16 -0.03 -0.04 1.67 1.79 3hy1A1 ARG 220 HG3 0.04 -0.06 -0.15 -0.04 1.67 1.46 3hy1A1 ARG 220 HD2 0.03 -0.03 -0.05 -0.04 3.22 3.13 3hy1A1 ARG 220 HD3 0.05 0.05 -0.07 -0.04 3.22 3.20 3hy1A1 GLN 221 H 0.05 0.41 0.19 -0.55 8.47 8.58 3hy1A1 GLN 221 HA 0.05 0.05 0.42 -0.75 4.36 4.13 3hy1A1 GLN 221 HB2 0.04 0.13 0.15 -0.04 2.15 2.43 3hy1A1 GLN 221 HB3 0.03 -0.07 -0.06 -0.04 2.02 1.88 3hy1A1 GLN 221 HG2 0.04 -0.00 0.01 -0.04 2.40 2.40 3hy1A1 GLN 221 HG3 0.06 0.03 -0.06 -0.04 2.39 2.38 3hy1A1 GLN 221 HE21 0.03 -0.03 -0.04 -0.04 6.97 6.89 3hy1A1 GLN 221 HE22 0.03 -0.01 -0.01 -0.04 7.69 7.66 3hy1A1 ALA 222 H 0.03 0.34 -0.23 -0.55 8.40 8.00 3hy1A1 ALA 222 HA 0.02 0.04 0.48 -0.75 4.34 4.12 3hy1A1 ALA 222 HB3 0.02 0.02 -0.08 -0.04 1.41 1.33 3hy1A1 ASP 223 H 0.01 0.10 0.05 -0.55 8.40 8.02 3hy1A1 ASP 223 HA 0.00 0.12 0.67 -0.75 4.63 4.67 3hy1A1 ASP 223 HB2 0.01 -0.07 0.11 -0.04 2.71 2.71 3hy1A1 ASP 223 HB3 0.01 0.06 0.14 -0.04 2.70 2.87 3hy1A1 GLY 224 H -0.00 0.11 0.14 -0.55 8.43 8.13 3hy1A1 GLY 224 HA2 0.00 0.13 0.24 -0.51 4.01 3.87 3hy1A1 GLY 224 HA3 -0.01 -0.00 0.29 -0.51 4.01 3.78 3hy1A1 THR 225 H 0.01 -0.07 -0.39 -0.55 8.28 7.28 3hy1A1 THR 225 HA -0.00 0.03 0.36 -0.75 4.39 4.02 3hy1A1 THR 225 HB 0.02 0.04 -0.07 -0.04 4.32 4.26 3hy1A1 THR 225 HG23 0.00 -0.01 0.00 -0.04 1.22 1.17 3hy1A1 MET 226 H 0.00 0.11 0.09 -0.55 8.47 8.13 3hy1A1 MET 226 HA 0.06 0.30 0.85 -0.75 4.52 4.97 3hy1A1 MET 226 HB2 -0.06 -0.05 0.08 -0.04 2.15 2.08 3hy1A1 MET 226 HB3 -0.22 -0.03 0.13 -0.04 2.03 1.87 3hy1A1 MET 226 HG2 0.08 -0.01 -0.20 -0.04 2.63 2.45 3hy1A1 MET 226 HG3 0.06 0.07 -0.18 -0.04 2.56 2.47 3hy1A1 MET 226 HE3 0.24 0.00 -0.13 -0.04 2.10 2.17 3hy1A1 GLU 227 H 0.10 0.29 0.24 -0.55 8.60 8.68 3hy1A1 GLU 227 HA 0.12 0.08 0.62 -0.75 4.29 4.37 3hy1A1 GLU 227 HB2 0.08 0.07 0.11 -0.04 2.09 2.31 3hy1A1 GLU 227 HB3 0.07 -0.10 0.08 -0.04 1.99 2.01 3hy1A1 GLU 227 HG2 0.09 -0.01 0.04 -0.04 2.34 2.42 3hy1A1 GLU 227 HG3 0.11 0.03 -0.28 -0.04 2.34 2.16 3hy1A1 PRO 228 HA 0.15 0.10 0.68 -0.51 4.44 4.85 3hy1A1 PRO 228 HB2 0.04 0.10 -0.05 -0.04 2.28 2.34 3hy1A1 PRO 228 HB3 0.03 0.01 0.13 -0.04 2.02 2.15 3hy1A1 PRO 228 HG2 0.09 0.02 0.09 -0.04 2.03 2.18 3hy1A1 PRO 228 HG3 0.19 0.01 0.10 -0.04 2.03 2.29 3hy1A1 PRO 228 HD2 0.09 0.10 0.21 -0.04 3.68 4.04 3hy1A1 PRO 228 HD3 0.13 0.08 0.29 -0.04 3.65 4.11 3hy1A1 LEU 229 H -0.04 0.68 0.31 -0.55 8.37 8.77 3hy1A1 LEU 229 HA 0.05 0.11 0.57 -0.75 4.35 4.33 3hy1A1 LEU 229 HB2 -0.03 0.03 -0.12 -0.04 1.64 1.47 3hy1A1 LEU 229 HB3 0.05 0.10 -0.11 -0.04 1.64 1.63 3hy1A1 LEU 229 HG 0.06 -0.10 -0.61 -0.04 1.64 0.94 3hy1A1 LEU 229 HD13 0.08 -0.00 -0.30 -0.04 0.93 0.66 3hy1A1 LEU 229 HD23 0.11 0.05 -0.23 -0.04 0.89 0.77 3hy1A1 PRO 230 HA 0.00 0.01 0.37 -0.51 4.44 4.31 3hy1A1 PRO 230 HB2 0.01 0.02 0.02 -0.04 2.28 2.29 3hy1A1 PRO 230 HB3 0.00 -0.04 0.08 -0.04 2.02 2.03 3hy1A1 PRO 230 HG2 0.03 0.20 0.05 -0.04 2.03 2.26 3hy1A1 PRO 230 HG3 0.02 -0.03 0.11 -0.04 2.03 2.09 3hy1A1 PRO 230 HD2 0.05 0.23 0.17 -0.04 3.68 4.08 3hy1A1 PRO 230 HD3 0.05 0.10 0.24 -0.04 3.65 4.00 3hy1A1 LYS 231 H 0.01 0.22 -0.24 -0.55 8.42 7.85 3hy1A1 LYS 231 HA -0.07 0.18 0.85 -0.75 4.32 4.52 3hy1A1 LYS 231 HB2 0.00 -0.05 0.05 -0.04 1.87 1.83 3hy1A1 LYS 231 HB3 -0.05 0.05 0.07 -0.04 1.79 1.82 3hy1A1 LYS 231 HG2 -0.03 0.06 -0.05 -0.04 1.46 1.40 3hy1A1 LYS 231 HG3 -0.01 -0.11 -0.46 -0.04 1.46 0.84 3hy1A1 LYS 231 HD2 -0.00 -0.01 -0.04 -0.04 1.69 1.60 3hy1A1 LYS 231 HD3 -0.01 0.07 0.05 -0.04 1.68 1.74 3hy1A1 LYS 231 HE2 -0.01 -0.02 -0.01 -0.04 2.99 2.91 3hy1A1 LYS 231 HE3 -0.01 -0.02 -0.05 -0.04 2.99 2.87 3hy1A1 PRO 232 HA -0.22 0.24 0.59 -0.51 4.44 4.54 3hy1A1 PRO 232 HB2 -1.00 -0.05 0.04 -0.04 2.28 1.22 3hy1A1 PRO 232 HB3 -1.13 -0.03 0.10 -0.04 2.02 0.92 3hy1A1 PRO 232 HG2 -0.36 -0.04 0.10 -0.04 2.03 1.69 3hy1A1 PRO 232 HG3 -0.29 0.05 0.13 -0.04 2.03 1.87 3hy1A1 PRO 232 HD2 -0.19 0.07 0.22 -0.04 3.68 3.74 3hy1A1 PRO 232 HD3 -0.15 0.26 0.10 -0.04 3.65 3.82 3hy1A1 SER 233 H 0.05 0.57 0.41 -0.55 8.46 8.94 3hy1A1 SER 233 HA 0.07 0.12 0.87 -0.75 4.49 4.79 3hy1A1 SER 233 HB2 0.42 -0.12 0.09 -0.04 3.95 4.30 3hy1A1 SER 233 HB3 0.32 0.58 0.51 -0.04 3.93 5.30 3hy1A1 VAL 234 H 0.10 0.42 0.42 -0.55 8.24 8.64 3hy1A1 VAL 234 HA 0.16 0.23 1.13 -0.75 4.13 4.90 3hy1A1 VAL 234 HB -0.10 -0.06 0.13 -0.04 2.12 2.04 3hy1A1 VAL 234 HG13 0.08 -0.01 -0.25 -0.04 0.97 0.75 3hy1A1 VAL 234 HG23 0.27 0.03 -0.20 -0.04 0.95 1.01 3hy1A1 ASP 235 H -0.05 0.79 0.35 -0.55 8.40 8.94 3hy1A1 ASP 235 HA 0.19 0.18 0.95 -0.75 4.63 5.21 3hy1A1 ASP 235 HB2 0.08 0.03 -0.01 -0.04 2.71 2.77 3hy1A1 ASP 235 HB3 -0.16 0.03 0.05 -0.04 2.70 2.57 3hy1A1 THR 236 H -0.25 0.51 0.28 -0.55 8.28 8.26 3hy1A1 THR 236 HA -0.05 0.30 1.30 -0.75 4.39 5.18 3hy1A1 THR 236 HB 0.21 0.10 0.14 -0.04 4.32 4.73 3hy1A1 THR 236 HG23 -0.03 0.09 -0.13 -0.04 1.22 1.11 3hy1A1 ALA 237 H 0.13 0.65 0.34 -0.55 8.40 8.98 3hy1A1 ALA 237 HA -0.16 0.17 0.47 -0.75 4.34 4.07 3hy1A1 ALA 237 HB3 -0.09 -0.03 -0.04 -0.04 1.41 1.21 3hy1A1 MET 238 H -0.59 1.02 0.33 -0.55 8.47 8.69 3hy1A1 MET 238 HA -0.39 0.29 1.24 -0.75 4.52 4.91 3hy1A1 MET 238 HB2 -2.19 -0.03 0.07 -0.04 2.15 -0.04 3hy1A1 MET 238 HB3 -1.21 0.02 0.20 -0.04 2.03 0.99 3hy1A1 MET 238 HG2 -0.48 -0.12 -0.32 -0.04 2.63 1.66 3hy1A1 MET 238 HG3 -0.34 0.24 0.02 -0.04 2.56 2.44 3hy1A1 MET 238 HE3 -0.56 -0.00 -0.07 -0.04 2.10 1.43 3hy1A1 GLY 239 H -0.19 0.59 0.29 -0.55 8.43 8.57 3hy1A1 GLY 239 HA2 -0.06 0.12 0.64 -0.51 4.01 4.19 3hy1A1 GLY 239 HA3 -0.12 0.04 0.43 -0.51 4.01 3.86 3hy1A1 LEU 240 H -0.12 0.66 0.44 -0.55 8.37 8.80 3hy1A1 LEU 240 HA -0.22 0.10 0.33 -0.75 4.35 3.80 3hy1A1 LEU 240 HB2 -0.19 0.05 0.09 -0.04 1.64 1.55 3hy1A1 LEU 240 HB3 -0.09 -0.10 0.22 -0.04 1.64 1.63 3hy1A1 LEU 240 HG -0.08 -0.03 -0.20 -0.04 1.64 1.28 3hy1A1 LEU 240 HD13 -0.14 0.03 0.00 -0.04 0.93 0.78 3hy1A1 LEU 240 HD23 -0.08 0.00 -0.04 -0.04 0.89 0.72 3hy1A1 GLU 241 H 0.00 0.10 -0.03 -0.55 8.60 8.13 3hy1A1 GLU 241 HA 0.01 0.05 0.45 -0.75 4.29 4.04 3hy1A1 GLU 241 HB2 0.14 0.01 0.06 -0.04 2.09 2.26 3hy1A1 GLU 241 HB3 0.18 0.06 0.02 -0.04 1.99 2.21 3hy1A1 GLU 241 HG2 0.14 0.10 0.02 -0.04 2.34 2.55 3hy1A1 GLU 241 HG3 0.10 0.00 0.04 -0.04 2.34 2.44 3hy1A1 ARG 242 H -0.08 0.11 -0.24 -0.55 8.46 7.70 3hy1A1 ARG 242 HA -0.07 0.09 0.41 -0.75 4.34 4.01 3hy1A1 ARG 242 HB2 -0.11 0.08 0.18 -0.04 1.90 2.01 3hy1A1 ARG 242 HB3 -0.07 0.07 0.01 -0.04 1.80 1.77 3hy1A1 ARG 242 HG2 -0.16 -0.01 0.07 -0.04 1.67 1.53 3hy1A1 ARG 242 HG3 -0.15 -0.16 0.07 -0.04 1.67 1.38 3hy1A1 ARG 242 HD2 -0.17 0.02 0.14 -0.04 3.22 3.17 3hy1A1 ARG 242 HD3 -0.14 0.05 0.04 -0.04 3.22 3.13 3hy1A1 ILE 243 H -0.14 0.54 -0.04 -0.55 8.25 8.06 3hy1A1 ILE 243 HA -0.18 0.11 0.54 -0.75 4.18 3.89 3hy1A1 ILE 243 HB -0.19 0.01 0.05 -0.04 1.89 1.72 3hy1A1 ILE 243 HG12 -0.26 0.01 -0.05 -0.04 1.49 1.15 3hy1A1 ILE 243 HG13 -0.44 -0.03 -0.12 -0.04 1.21 0.58 3hy1A1 ILE 243 HG23 -0.25 0.02 -0.03 -0.04 0.93 0.63 3hy1A1 ILE 243 HD13 -0.15 0.01 0.04 -0.04 0.88 0.75 3hy1A1 ALA 244 H -0.14 0.43 -0.22 -0.55 8.40 7.92 3hy1A1 ALA 244 HA -0.18 0.06 0.45 -0.75 4.34 3.92 3hy1A1 ALA 244 HB3 -0.08 -0.00 0.12 -0.04 1.41 1.41 3hy1A1 ALA 245 H -0.07 0.35 -0.35 -0.55 8.40 7.79 3hy1A1 ALA 245 HA -0.02 -0.05 0.32 -0.75 4.34 3.84 3hy1A1 ALA 245 HB3 -0.01 0.04 -0.20 -0.04 1.41 1.20 3hy1A1 VAL 246 H -0.13 0.28 -0.26 -0.55 8.24 7.59 3hy1A1 VAL 246 HA -0.23 0.14 0.43 -0.75 4.13 3.72 3hy1A1 VAL 246 HB -0.37 0.08 0.18 -0.04 2.12 1.96 3hy1A1 VAL 246 HG13 -0.99 -0.00 -0.11 -0.04 0.97 -0.17 3hy1A1 VAL 246 HG23 -0.47 0.05 0.05 -0.04 0.95 0.54 3hy1A1 LEU 247 H -0.27 0.52 -0.06 -0.55 8.37 8.01 3hy1A1 LEU 247 HA -0.34 0.07 0.34 -0.75 4.35 3.67 3hy1A1 LEU 247 HB2 -0.27 0.01 0.12 -0.04 1.64 1.46 3hy1A1 LEU 247 HB3 -0.24 -0.10 0.05 -0.04 1.64 1.31 3hy1A1 LEU 247 HG -0.40 0.09 0.04 -0.04 1.64 1.32 3hy1A1 LEU 247 HD13 -0.93 -0.03 -0.09 -0.04 0.93 -0.16 3hy1A1 LEU 247 HD23 -0.19 0.02 -0.12 -0.04 0.89 0.56 3hy1A1 GLN 248 H -0.16 0.44 -0.34 -0.55 8.47 7.87 3hy1A1 GLN 248 HA -0.05 0.12 0.66 -0.75 4.36 4.33 3hy1A1 GLN 248 HB2 -0.03 0.02 0.08 -0.04 2.15 2.19 3hy1A1 GLN 248 HB3 0.01 -0.06 0.15 -0.04 2.02 2.08 3hy1A1 GLN 248 HG2 -0.04 0.10 -0.06 -0.04 2.40 2.35 3hy1A1 GLN 248 HG3 -0.09 0.12 0.09 -0.04 2.39 2.47 3hy1A1 GLN 248 HE21 -0.02 -0.34 0.18 -0.04 6.97 6.75 3hy1A1 GLN 248 HE22 -0.05 0.23 0.13 -0.04 7.69 7.96 3hy1A1 HIS 249 H -0.26 0.37 -0.58 -0.55 8.41 7.39 3hy1A1 HIS 249 HA 0.05 0.11 0.32 -0.75 4.63 4.36 3hy1A1 HIS 249 HB2 0.02 0.13 -0.13 -0.04 3.26 3.24 3hy1A1 HIS 249 HB3 0.04 -0.09 0.19 -0.04 3.20 3.30 3hy1A1 HIS 249 HD2 0.00 -0.01 -0.11 -0.04 6.97 6.81 3hy1A1 HIS 249 HE1 0.02 -0.05 0.03 -0.04 7.75 7.70 3hy1A1 VAL 250 H 0.06 0.41 -0.15 -0.55 8.24 8.01 3hy1A1 VAL 250 HA 0.11 0.18 0.90 -0.75 4.13 4.56 3hy1A1 VAL 250 HB 0.05 -0.29 0.15 -0.04 2.12 1.98 3hy1A1 VAL 250 HG13 0.06 0.08 -0.14 -0.04 0.97 0.93 3hy1A1 VAL 250 HG23 0.03 -0.02 -0.22 -0.04 0.95 0.69 3hy1A1 ASN 251 H 0.03 -0.05 0.17 -0.55 8.53 8.13 3hy1A1 ASN 251 HA -0.34 0.31 0.93 -0.75 4.76 4.89 3hy1A1 ASN 251 HB2 0.01 -0.08 0.07 -0.04 2.88 2.83 3hy1A1 ASN 251 HB3 -0.14 0.01 0.01 -0.04 2.79 2.63 3hy1A1 ASN 251 HD21 0.35 0.08 -0.19 -0.04 7.03 7.24 3hy1A1 ASN 251 HD22 0.29 0.26 -1.10 -0.04 7.74 7.15 3hy1A1 SER 252 H -0.02 -0.02 0.16 -0.55 8.46 8.04 3hy1A1 SER 252 HA -0.06 0.30 0.91 -0.75 4.49 4.89 3hy1A1 SER 252 HB2 0.02 0.10 0.06 -0.04 3.95 4.08 3hy1A1 SER 252 HB3 0.04 -0.01 0.08 -0.04 3.93 4.00 3hy1A1 ASN 253 H -0.13 0.79 0.30 -0.55 8.53 8.95 3hy1A1 ASN 253 HA -0.08 0.13 0.46 -0.75 4.76 4.51 3hy1A1 ASN 253 HB2 -0.53 0.01 -0.08 -0.04 2.88 2.24 3hy1A1 ASN 253 HB3 -0.10 -0.09 -0.04 -0.04 2.79 2.52 3hy1A1 ASN 253 HD21 -0.24 0.07 -0.04 -0.04 7.03 6.77 3hy1A1 ASN 253 HD22 -0.42 -0.05 -0.23 -0.04 7.74 7.00 3hy1A1 TYR 254 H -0.01 0.07 -0.42 -0.55 8.29 7.38 3hy1A1 TYR 254 HA -0.39 0.12 0.46 -0.75 4.56 4.00 3hy1A1 TYR 254 HB2 -0.13 0.02 -0.02 -0.04 3.06 2.89 3hy1A1 TYR 254 HB3 -0.14 0.06 0.08 -0.04 2.98 2.95 3hy1A1 TYR 254 HD2 -0.39 -0.01 0.01 -0.04 7.15 6.73 3hy1A1 TYR 254 HE2 -0.15 0.05 -0.01 -0.04 6.85 6.70 3hy1A1 ASP 255 H 0.04 0.38 -0.49 -0.55 8.40 7.78 3hy1A1 ASP 255 HA 0.09 0.21 0.82 -0.75 4.63 4.99 3hy1A1 ASP 255 HB2 0.04 0.04 0.09 -0.04 2.71 2.84 3hy1A1 ASP 255 HB3 0.05 0.06 0.08 -0.04 2.70 2.85 3hy1A1 ILE 256 H 0.09 0.17 -0.24 -0.55 8.25 7.72 3hy1A1 ILE 256 HA 0.04 0.21 0.47 -0.75 4.18 4.15 3hy1A1 ILE 256 HB 0.03 -0.09 0.08 -0.04 1.89 1.86 3hy1A1 ILE 256 HG12 0.28 0.37 0.14 -0.04 1.49 2.23 3hy1A1 ILE 256 HG13 0.14 -0.34 -0.21 -0.04 1.21 0.76 3hy1A1 ILE 256 HG23 0.01 0.06 -0.08 -0.04 0.93 0.89 3hy1A1 ILE 256 HD13 0.14 0.00 0.07 -0.04 0.88 1.05 3hy1A1 ASP 257 H 0.02 0.19 0.17 -0.55 8.40 8.23 3hy1A1 ASP 257 HA 0.03 0.15 0.29 -0.75 4.63 4.35 3hy1A1 ASP 257 HB2 0.00 0.06 0.06 -0.04 2.71 2.79 3hy1A1 ASP 257 HB3 0.01 0.14 0.18 -0.04 2.70 2.98 3hy1A1 LEU 258 H -0.01 0.06 -0.10 -0.55 8.37 7.77 3hy1A1 LEU 258 HA -0.06 0.10 0.37 -0.75 4.35 4.01 3hy1A1 LEU 258 HB2 -0.12 0.17 0.18 -0.04 1.64 1.83 3hy1A1 LEU 258 HB3 -0.08 -0.09 0.16 -0.04 1.64 1.60 3hy1A1 LEU 258 HG -0.44 0.03 -0.18 -0.04 1.64 1.01 3hy1A1 LEU 258 HD13 -0.12 0.01 -0.00 -0.04 0.93 0.77 3hy1A1 LEU 258 HD23 -0.16 -0.03 -0.08 -0.04 0.89 0.58 3hy1A1 PHE 259 H 0.13 0.29 -0.32 -0.55 8.34 7.88 3hy1A1 PHE 259 HA 0.04 0.09 0.77 -0.75 4.62 4.77 3hy1A1 PHE 259 HB2 0.01 0.06 0.02 -0.04 3.15 3.20 3hy1A1 PHE 259 HB3 0.12 0.13 -0.03 -0.04 3.06 3.24 3hy1A1 PHE 259 HD2 0.04 0.03 0.01 -0.04 7.28 7.31 3hy1A1 PHE 259 HE2 -0.13 -0.04 -0.20 -0.04 7.38 6.97 3hy1A1 PHE 259 HZ -0.41 0.00 -0.05 -0.04 7.32 6.82 3hy1A1 ARG 260 H 0.14 0.56 -0.16 -0.55 8.46 8.44 3hy1A1 ARG 260 HA 0.10 0.09 0.46 -0.75 4.34 4.24 3hy1A1 ARG 260 HB2 0.06 0.11 0.07 -0.04 1.90 2.10 3hy1A1 ARG 260 HB3 0.04 -0.04 -0.06 -0.04 1.80 1.70 3hy1A1 ARG 260 HG2 0.06 -0.05 0.04 -0.04 1.67 1.68 3hy1A1 ARG 260 HG3 0.08 0.13 -0.16 -0.04 1.67 1.68 3hy1A1 ARG 260 HD2 0.04 0.06 0.01 -0.04 3.22 3.29 3hy1A1 ARG 260 HD3 0.04 -0.05 -0.05 -0.04 3.22 3.12 3hy1A1 THR 261 H 0.03 0.40 -0.17 -0.55 8.28 8.00 3hy1A1 THR 261 HA 0.02 0.07 0.38 -0.75 4.39 4.11 3hy1A1 THR 261 HB -0.02 0.06 0.02 -0.04 4.32 4.34 3hy1A1 THR 261 HG23 -0.01 -0.01 -0.02 -0.04 1.22 1.14 3hy1A1 LEU 262 H 0.02 0.25 -0.33 -0.55 8.37 7.76 3hy1A1 LEU 262 HA -0.01 0.03 0.38 -0.75 4.35 4.00 3hy1A1 LEU 262 HB2 -0.11 0.38 0.27 -0.04 1.64 2.15 3hy1A1 LEU 262 HB3 0.06 -0.00 0.11 -0.04 1.64 1.77 3hy1A1 LEU 262 HG 0.01 -0.07 0.02 -0.04 1.64 1.57 3hy1A1 LEU 262 HD13 -0.08 0.00 -0.08 -0.04 0.93 0.73 3hy1A1 LEU 262 HD23 -0.15 -0.01 0.01 -0.04 0.89 0.70 3hy1A1 ILE 263 H 0.12 0.65 -0.21 -0.55 8.25 8.26 3hy1A1 ILE 263 HA 0.09 0.03 0.53 -0.75 4.18 4.07 3hy1A1 ILE 263 HB 0.10 0.21 0.16 -0.04 1.89 2.32 3hy1A1 ILE 263 HG12 0.11 -0.07 -0.13 -0.04 1.49 1.37 3hy1A1 ILE 263 HG13 0.27 0.02 0.06 -0.04 1.21 1.52 3hy1A1 ILE 263 HG23 0.03 -0.01 -0.09 -0.04 0.93 0.82 3hy1A1 ILE 263 HD13 0.12 0.02 -0.02 -0.04 0.88 0.96 3hy1A1 GLN 264 H 0.04 0.40 -0.24 -0.55 8.47 8.13 3hy1A1 GLN 264 HA 0.02 0.03 0.48 -0.75 4.36 4.12 3hy1A1 GLN 264 HB2 0.02 0.14 0.17 -0.04 2.15 2.44 3hy1A1 GLN 264 HB3 0.01 -0.04 0.01 -0.04 2.02 1.96 3hy1A1 GLN 264 HG2 0.02 -0.05 0.04 -0.04 2.40 2.36 3hy1A1 GLN 264 HG3 0.03 0.17 0.10 -0.04 2.39 2.65 3hy1A1 GLN 264 HE21 0.01 -0.02 -0.03 -0.04 6.97 6.89 3hy1A1 GLN 264 HE22 0.02 -0.01 -0.01 -0.04 7.69 7.64 3hy1A1 ALA 265 H 0.02 0.41 -0.28 -0.55 8.40 8.00 3hy1A1 ALA 265 HA 0.00 0.04 0.50 -0.75 4.34 4.13 3hy1A1 ALA 265 HB3 -0.01 0.05 0.09 -0.04 1.41 1.50 3hy1A1 VAL 266 H 0.04 0.30 -0.38 -0.55 8.24 7.65 3hy1A1 VAL 266 HA 0.09 0.04 0.50 -0.75 4.13 4.00 3hy1A1 VAL 266 HB 0.05 0.15 0.19 -0.04 2.12 2.47 3hy1A1 VAL 266 HG13 0.07 -0.03 -0.07 -0.04 0.97 0.91 3hy1A1 VAL 266 HG23 0.10 0.12 0.04 -0.04 0.95 1.18 3hy1A1 ALA 267 H 0.02 0.56 -0.06 -0.55 8.40 8.37 3hy1A1 ALA 267 HA -0.02 -0.08 0.40 -0.75 4.34 3.89 3hy1A1 ALA 267 HB3 -0.00 0.05 0.03 -0.04 1.41 1.45 3hy1A1 LYS 268 H 0.01 0.36 -0.40 -0.55 8.42 7.83 3hy1A1 LYS 268 HA -0.00 0.06 0.41 -0.75 4.32 4.04 3hy1A1 LYS 268 HB2 -0.00 0.10 0.13 -0.04 1.87 2.06 3hy1A1 LYS 268 HB3 0.00 0.10 0.13 -0.04 1.79 1.98 3hy1A1 LYS 268 HG2 -0.00 -0.01 -0.09 -0.04 1.46 1.32 3hy1A1 LYS 268 HG3 -0.00 -0.03 0.02 -0.04 1.46 1.41 3hy1A1 LYS 268 HD2 -0.01 0.02 -0.04 -0.04 1.69 1.62 3hy1A1 LYS 268 HD3 -0.01 -0.04 -0.02 -0.04 1.68 1.57 3hy1A1 LYS 268 HE2 -0.01 -0.03 -0.01 -0.04 2.99 2.90 3hy1A1 LYS 268 HE3 -0.01 0.05 0.02 -0.04 2.99 3.01 3hy1A1 VAL 269 H 0.02 0.35 -0.20 -0.55 8.24 7.87 3hy1A1 VAL 269 HA 0.02 0.12 0.40 -0.75 4.13 3.91 3hy1A1 VAL 269 HB 0.11 -0.06 0.15 -0.04 2.12 2.28 3hy1A1 VAL 269 HG13 -0.00 0.00 0.01 -0.04 0.97 0.94 3hy1A1 VAL 269 HG23 0.15 0.05 -0.01 -0.04 0.95 1.10 3hy1A1 THR 270 H -0.04 0.20 -0.41 -0.55 8.28 7.49 3hy1A1 THR 270 HA -0.18 0.13 0.90 -0.75 4.39 4.49 3hy1A1 THR 270 HB -0.22 -0.00 -0.02 -0.04 4.32 4.04 3hy1A1 THR 270 HG23 -0.46 -0.02 -0.07 -0.04 1.22 0.62 3hy1A1 GLY 271 H -0.04 0.27 -0.16 -0.55 8.43 7.95 3hy1A1 GLY 271 HA2 -0.02 0.04 0.29 -0.51 4.01 3.81 3hy1A1 GLY 271 HA3 -0.03 0.08 0.47 -0.51 4.01 4.02 3hy1A1 ALA 272 H -0.04 -0.02 -0.15 -0.55 8.40 7.64 3hy1A1 ALA 272 HA -0.04 0.14 0.44 -0.75 4.34 4.12 3hy1A1 ALA 272 HB3 -0.03 -0.04 0.03 -0.04 1.41 1.32 3hy1A1 THR 273 H -0.02 0.05 0.22 -0.55 8.28 7.97 3hy1A1 THR 273 HA -0.02 0.25 0.69 -0.75 4.39 4.56 3hy1A1 THR 273 HB -0.01 -0.04 0.08 -0.04 4.32 4.30 3hy1A1 THR 273 HG23 -0.02 0.05 0.02 -0.04 1.22 1.23 3hy1A1 ASP 274 H -0.02 0.10 0.11 -0.55 8.40 8.04 3hy1A1 ASP 274 HA -0.01 0.23 0.85 -0.75 4.63 4.95 3hy1A1 ASP 274 HB2 -0.01 -0.01 0.07 -0.04 2.71 2.71 3hy1A1 ASP 274 HB3 -0.02 0.10 -0.09 -0.04 2.70 2.65 3hy1A1 LEU 275 H -0.01 0.22 0.09 -0.55 8.37 8.13 3hy1A1 LEU 275 HA -0.01 0.13 0.38 -0.75 4.35 4.09 3hy1A1 LEU 275 HB2 0.00 0.02 0.04 -0.04 1.64 1.66 3hy1A1 LEU 275 HB3 0.01 0.03 0.11 -0.04 1.64 1.75 3hy1A1 LEU 275 HG -0.00 -0.03 -0.05 -0.04 1.64 1.51 3hy1A1 LEU 275 HD13 0.01 0.02 -0.01 -0.04 0.93 0.91 3hy1A1 LEU 275 HD23 0.01 0.01 -0.11 -0.04 0.89 0.76 3hy1A1 SER 276 H -0.02 0.06 -0.47 -0.55 8.46 7.48 3hy1A1 SER 276 HA -0.03 0.24 0.78 -0.75 4.49 4.72 3hy1A1 SER 276 HB2 -0.02 0.04 0.13 -0.04 3.95 4.05 3hy1A1 SER 276 HB3 -0.01 -0.01 -0.02 -0.04 3.93 3.85 3hy1A1 ASN 277 H -0.05 0.19 -0.35 -0.55 8.53 7.78 3hy1A1 ASN 277 HA -0.06 0.22 0.77 -0.75 4.76 4.93 3hy1A1 ASN 277 HB2 -0.04 0.09 0.04 -0.04 2.88 2.93 3hy1A1 ASN 277 HB3 -0.05 -0.07 0.06 -0.04 2.79 2.68 3hy1A1 ASN 277 HD21 -0.03 0.08 0.05 -0.04 7.03 7.08 3hy1A1 ASN 277 HD22 -0.03 0.02 0.03 -0.04 7.74 7.72 3hy1A1 LYS 278 H -0.10 0.23 0.19 -0.55 8.42 8.19 3hy1A1 LYS 278 HA -0.21 0.13 0.44 -0.75 4.32 3.92 3hy1A1 LYS 278 HB2 -0.18 0.08 0.19 -0.04 1.87 1.92 3hy1A1 LYS 278 HB3 -0.12 -0.04 0.16 -0.04 1.79 1.75 3hy1A1 LYS 278 HG2 -0.31 -0.14 0.03 -0.04 1.46 1.00 3hy1A1 LYS 278 HG3 -0.45 0.26 0.09 -0.04 1.46 1.32 3hy1A1 LYS 278 HD2 -0.05 -0.06 -0.09 -0.04 1.69 1.46 3hy1A1 LYS 278 HD3 -0.38 0.05 -0.05 -0.04 1.68 1.26 3hy1A1 LYS 278 HE2 -0.12 -0.05 0.05 -0.04 2.99 2.83 3hy1A1 LYS 278 HE3 -0.03 0.03 0.01 -0.04 2.99 2.95 3hy1A1 SER 279 H -0.06 0.13 -0.13 -0.55 8.46 7.86 3hy1A1 SER 279 HA -0.28 0.08 0.31 -0.75 4.49 3.84 3hy1A1 SER 279 HB2 0.01 0.02 0.00 -0.04 3.95 3.94 3hy1A1 SER 279 HB3 0.11 0.03 -0.02 -0.04 3.93 4.01 3hy1A1 LEU 280 H -0.08 0.18 -0.35 -0.55 8.37 7.57 3hy1A1 LEU 280 HA -0.02 0.06 0.42 -0.75 4.35 4.06 3hy1A1 LEU 280 HB2 -0.06 0.17 0.08 -0.04 1.64 1.79 3hy1A1 LEU 280 HB3 -0.01 0.02 0.02 -0.04 1.64 1.64 3hy1A1 LEU 280 HG -0.04 -0.09 0.00 -0.04 1.64 1.47 3hy1A1 LEU 280 HD13 -0.02 -0.01 -0.01 -0.04 0.93 0.85 3hy1A1 LEU 280 HD23 -0.01 0.01 -0.10 -0.04 0.89 0.75 3hy1A1 ARG 281 H -0.20 0.38 -0.15 -0.55 8.46 7.93 3hy1A1 ARG 281 HA -0.15 0.05 0.48 -0.75 4.34 3.97 3hy1A1 ARG 281 HB2 -0.55 0.14 0.12 -0.04 1.90 1.57 3hy1A1 ARG 281 HB3 -1.60 -0.08 0.04 -0.04 1.80 0.12 3hy1A1 ARG 281 HG2 -0.34 -0.01 0.01 -0.04 1.67 1.29 3hy1A1 ARG 281 HG3 -0.29 0.20 0.07 -0.04 1.67 1.61 3hy1A1 ARG 281 HD2 -0.71 -0.01 0.00 -0.04 3.22 2.46 3hy1A1 ARG 281 HD3 -0.48 -0.10 -0.03 -0.04 3.22 2.57 3hy1A1 VAL 282 H -0.28 0.45 -0.11 -0.55 8.24 7.75 3hy1A1 VAL 282 HA -0.19 -0.01 0.35 -0.75 4.13 3.53 3hy1A1 VAL 282 HB -0.65 0.08 0.12 -0.04 2.12 1.64 3hy1A1 VAL 282 HG13 -0.78 -0.01 -0.13 -0.04 0.97 0.01 3hy1A1 VAL 282 HG23 -0.36 0.10 -0.05 -0.04 0.95 0.59 3hy1A1 ILE 283 H -0.13 0.59 -0.16 -0.55 8.25 8.01 3hy1A1 ILE 283 HA 0.07 -0.01 0.46 -0.75 4.18 3.94 3hy1A1 ILE 283 HB 0.10 0.10 0.13 -0.04 1.89 2.18 3hy1A1 ILE 283 HG12 0.16 0.01 0.09 -0.04 1.49 1.71 3hy1A1 ILE 283 HG13 -0.04 0.14 0.10 -0.04 1.21 1.37 3hy1A1 ILE 283 HG23 0.44 -0.02 -0.11 -0.04 0.93 1.20 3hy1A1 ILE 283 HD13 0.10 -0.04 -0.16 -0.04 0.88 0.74 3hy1A1 ALA 284 H 0.12 0.55 -0.14 -0.55 8.40 8.38 3hy1A1 ALA 284 HA 0.17 0.03 0.39 -0.75 4.34 4.18 3hy1A1 ALA 284 HB3 0.34 0.02 0.05 -0.04 1.41 1.79 3hy1A1 ASP 285 H 0.29 0.55 -0.27 -0.55 8.40 8.43 3hy1A1 ASP 285 HA 0.44 0.04 0.57 -0.75 4.63 4.92 3hy1A1 ASP 285 HB2 0.52 0.05 0.14 -0.04 2.71 3.38 3hy1A1 ASP 285 HB3 0.35 0.21 0.22 -0.04 2.70 3.45 3hy1A1 HIS 286 H 0.36 0.66 0.00 -0.55 8.41 8.88 3hy1A1 HIS 286 HA 0.18 -0.09 0.32 -0.75 4.63 4.28 3hy1A1 HIS 286 HB2 0.21 0.10 0.18 -0.04 3.26 3.72 3hy1A1 HIS 286 HB3 0.19 -0.04 0.01 -0.04 3.20 3.32 3hy1A1 HIS 286 HD2 0.01 0.12 0.03 -0.04 6.97 7.10 3hy1A1 HIS 286 HE1 0.09 0.01 0.02 -0.04 7.75 7.82 3hy1A1 ILE 287 H 0.27 0.59 -0.26 -0.55 8.25 8.30 3hy1A1 ILE 287 HA -0.10 -0.02 0.46 -0.75 4.18 3.78 3hy1A1 ILE 287 HB -0.16 0.05 0.07 -0.04 1.89 1.80 3hy1A1 ILE 287 HG12 -0.27 0.06 -0.19 -0.04 1.49 1.04 3hy1A1 ILE 287 HG13 -0.25 -0.04 -0.16 -0.04 1.21 0.71 3hy1A1 ILE 287 HG23 -0.00 0.04 -0.02 -0.04 0.93 0.91 3hy1A1 ILE 287 HD13 -0.81 -0.02 -0.01 -0.04 0.88 0.01 3hy1A1 ARG 288 H 0.08 0.41 -0.33 -0.55 8.46 8.06 3hy1A1 ARG 288 HA -0.11 0.05 0.43 -0.75 4.34 3.96 3hy1A1 ARG 288 HB2 0.04 0.08 0.18 -0.04 1.90 2.17 3hy1A1 ARG 288 HB3 -0.58 -0.07 0.01 -0.04 1.80 1.11 3hy1A1 ARG 288 HG2 -0.09 -0.05 0.01 -0.04 1.67 1.50 3hy1A1 ARG 288 HG3 0.04 0.27 0.20 -0.04 1.67 2.14 3hy1A1 ARG 288 HD2 -0.14 -0.05 -0.04 -0.04 3.22 2.95 3hy1A1 ARG 288 HD3 -0.33 0.01 -0.03 -0.04 3.22 2.83 3hy1A1 SER 289 H 0.10 0.32 -0.08 -0.55 8.46 8.25 3hy1A1 SER 289 HA 0.13 0.04 0.39 -0.75 4.49 4.30 3hy1A1 SER 289 HB2 0.05 0.09 0.12 -0.04 3.95 4.17 3hy1A1 SER 289 HB3 0.04 -0.02 -0.04 -0.04 3.93 3.87 3hy1A1 CYS 290 H 0.08 0.66 -0.04 -0.55 8.50 8.65 3hy1A1 CYS 290 HA 0.02 -0.01 0.26 -0.75 4.58 4.10 3hy1A1 CYS 290 HB2 0.14 0.04 0.11 -0.04 2.97 3.22 3hy1A1 CYS 290 HB3 0.13 -0.04 -0.01 -0.04 2.97 3.02 3hy1A1 ALA 291 H -0.09 0.55 -0.12 -0.55 8.40 8.19 3hy1A1 ALA 291 HA -0.14 -0.01 0.38 -0.75 4.34 3.81 3hy1A1 ALA 291 HB3 -0.29 0.02 0.09 -0.04 1.41 1.19 3hy1A1 PHE 292 H -0.04 0.46 -0.22 -0.55 8.34 7.99 3hy1A1 PHE 292 HA -0.11 0.01 0.41 -0.75 4.62 4.17 3hy1A1 PHE 292 HB2 -0.33 0.29 0.16 -0.04 3.15 3.23 3hy1A1 PHE 292 HB3 -0.00 -0.09 -0.05 -0.04 3.06 2.88 3hy1A1 PHE 292 HD2 -0.43 0.17 0.08 -0.04 7.28 7.05 3hy1A1 PHE 292 HE2 -0.23 0.04 -0.00 -0.04 7.38 7.15 3hy1A1 PHE 292 HZ -0.11 -0.04 -0.17 -0.04 7.32 6.96 3hy1A1 LEU 293 H 0.02 0.68 -0.10 -0.55 8.37 8.43 3hy1A1 LEU 293 HA -0.04 -0.05 0.40 -0.75 4.35 3.90 3hy1A1 LEU 293 HB2 -0.06 0.14 0.13 -0.04 1.64 1.80 3hy1A1 LEU 293 HB3 -0.09 -0.04 -0.06 -0.04 1.64 1.40 3hy1A1 LEU 293 HG -0.19 0.07 0.02 -0.04 1.64 1.50 3hy1A1 LEU 293 HD13 -0.30 -0.04 -0.16 -0.04 0.93 0.40 3hy1A1 LEU 293 HD23 -0.78 -0.03 -0.05 -0.04 0.89 -0.02 3hy1A1 ILE 294 H -0.03 0.61 -0.09 -0.55 8.25 8.19 3hy1A1 ILE 294 HA 0.01 0.27 0.49 -0.75 4.18 4.19 3hy1A1 ILE 294 HB -0.05 0.09 0.16 -0.04 1.89 2.06 3hy1A1 ILE 294 HG12 0.01 0.05 0.10 -0.04 1.49 1.61 3hy1A1 ILE 294 HG13 -0.00 0.05 0.11 -0.04 1.21 1.33 3hy1A1 ILE 294 HG23 -0.02 -0.03 -0.13 -0.04 0.93 0.72 3hy1A1 ILE 294 HD13 0.00 -0.05 -0.06 -0.04 0.88 0.73 3hy1A1 ALA 295 H -0.06 0.57 -0.12 -0.55 8.40 8.24 3hy1A1 ALA 295 HA -0.04 -0.01 0.37 -0.75 4.34 3.91 3hy1A1 ALA 295 HB3 -0.11 0.02 0.04 -0.04 1.41 1.32 3hy1A1 ASP 296 H 0.02 0.38 -0.48 -0.55 8.40 7.78 3hy1A1 ASP 296 HA 0.05 0.09 0.70 -0.75 4.63 4.72 3hy1A1 ASP 296 HB2 0.04 0.13 0.16 -0.04 2.71 3.00 3hy1A1 ASP 296 HB3 0.06 -0.15 0.19 -0.04 2.70 2.76 3hy1A1 GLY 297 H 0.02 0.54 -0.39 -0.55 8.43 8.05 3hy1A1 GLY 297 HA2 0.03 0.02 0.22 -0.51 4.01 3.77 3hy1A1 GLY 297 HA3 0.06 0.10 0.63 -0.51 4.01 4.28 3hy1A1 VAL 298 H 0.04 0.53 0.06 -0.55 8.24 8.32 3hy1A1 VAL 298 HA 0.08 0.09 0.75 -0.75 4.13 4.29 3hy1A1 VAL 298 HB 0.03 -0.03 -0.18 -0.04 2.12 1.90 3hy1A1 VAL 298 HG13 0.15 -0.03 -0.35 -0.04 0.97 0.70 3hy1A1 VAL 298 HG23 0.12 0.01 -0.12 -0.04 0.95 0.91 3hy1A1 MET 299 H 0.06 0.19 0.12 -0.55 8.47 8.29 3hy1A1 MET 299 HA 0.04 0.16 0.75 -0.75 4.52 4.71 3hy1A1 MET 299 HB2 0.04 -0.05 0.11 -0.04 2.15 2.21 3hy1A1 MET 299 HB3 0.03 0.07 0.03 -0.04 2.03 2.12 3hy1A1 MET 299 HG2 0.03 0.08 -0.12 -0.04 2.63 2.58 3hy1A1 MET 299 HG3 0.03 -0.02 -0.00 -0.04 2.56 2.53 3hy1A1 MET 299 HE3 0.02 -0.01 0.01 -0.04 2.10 2.07 3hy1A1 PRO 300 HA 0.07 0.11 0.50 -0.51 4.44 4.61 3hy1A1 PRO 300 HB2 0.05 0.04 -0.04 -0.04 2.28 2.29 3hy1A1 PRO 300 HB3 0.04 -0.02 0.07 -0.04 2.02 2.07 3hy1A1 PRO 300 HG2 0.03 0.03 0.08 -0.04 2.03 2.13 3hy1A1 PRO 300 HG3 0.03 0.03 0.04 -0.04 2.03 2.09 3hy1A1 PRO 300 HD2 0.03 0.08 0.26 -0.04 3.68 4.00 3hy1A1 PRO 300 HD3 0.04 0.19 0.16 -0.04 3.65 3.99 3hy1A1 SER 301 H 0.12 0.41 -0.01 -0.55 8.46 8.44 3hy1A1 SER 301 HA 0.07 0.17 0.57 -0.75 4.49 4.55 3hy1A1 SER 301 HB2 0.06 0.21 -0.08 -0.04 3.95 4.11 3hy1A1 SER 301 HB3 0.09 -0.04 -0.10 -0.04 3.93 3.84 3hy1A1 ASN 302 H 0.04 0.19 0.12 -0.55 8.53 8.34 3hy1A1 ASN 302 HA -0.02 0.21 0.85 -0.75 4.76 5.05 3hy1A1 ASN 302 HB2 -0.03 0.00 0.06 -0.04 2.88 2.87 3hy1A1 ASN 302 HB3 -0.15 0.02 0.12 -0.04 2.79 2.74 3hy1A1 ASN 302 HD21 -0.01 0.06 -0.05 -0.04 7.03 6.99 3hy1A1 ASN 302 HD22 -0.03 -0.00 -0.02 -0.04 7.74 7.65 3hy1A1 GLU 303 H 0.06 0.08 -0.06 -0.55 8.60 8.14 3hy1A1 GLU 303 HA 0.00 0.23 0.93 -0.75 4.29 4.70 3hy1A1 GLU 303 HB2 0.03 -0.03 0.09 -0.04 2.09 2.14 3hy1A1 GLU 303 HB3 0.02 0.04 0.00 -0.04 1.99 2.02 3hy1A1 GLU 303 HG2 0.01 0.05 -0.01 -0.04 2.34 2.34 3hy1A1 GLU 303 HG3 -0.01 0.10 -0.05 -0.04 2.34 2.34 3hy1A1 ASN 304 H 0.05 0.22 0.10 -0.55 8.53 8.36 3hy1A1 ASN 304 HA 0.04 0.10 0.34 -0.75 4.76 4.48 3hy1A1 ASN 304 HB2 0.04 0.08 -0.21 -0.04 2.88 2.74 3hy1A1 ASN 304 HB3 0.01 0.05 0.16 -0.04 2.79 2.97 3hy1A1 ASN 304 HD21 0.02 0.07 -0.03 -0.04 7.03 7.05 3hy1A1 ASN 304 HD22 0.02 0.02 -0.10 -0.04 7.74 7.64 3hy1A1 ARG 305 H 0.02 0.23 0.18 -0.55 8.46 8.34 3hy1A1 ARG 305 HA -0.05 0.05 0.42 -0.75 4.34 4.01 3hy1A1 ARG 305 HB2 0.10 0.02 0.10 -0.04 1.90 2.08 3hy1A1 ARG 305 HB3 0.27 0.03 0.02 -0.04 1.80 2.07 3hy1A1 ARG 305 HG2 -0.27 -0.05 0.09 -0.04 1.67 1.40 3hy1A1 ARG 305 HG3 -0.04 -0.03 0.12 -0.04 1.67 1.68 3hy1A1 ARG 305 HD2 0.11 -0.07 0.05 -0.04 3.22 3.28 3hy1A1 ARG 305 HD3 0.14 0.06 0.12 -0.04 3.22 3.51 3hy1A1 GLY 306 H 0.10 0.24 -0.03 -0.55 8.43 8.20 3hy1A1 GLY 306 HA2 0.12 0.10 0.26 -0.51 4.01 3.98 3hy1A1 GLY 306 HA3 0.11 0.15 0.27 -0.51 4.01 4.03 3hy1A1 TYR 307 H 0.21 0.29 -0.75 -0.55 8.29 7.49 3hy1A1 TYR 307 HA 0.04 0.32 0.45 -0.75 4.56 4.62 3hy1A1 TYR 307 HB2 0.05 -0.16 -0.64 -0.04 3.06 2.26 3hy1A1 TYR 307 HB3 0.04 0.08 -0.24 -0.04 2.98 2.82 3hy1A1 TYR 307 HD2 0.05 0.14 0.04 -0.04 7.15 7.33 3hy1A1 TYR 307 HE2 0.09 0.00 -0.02 -0.04 6.85 6.88 3hy1A1 VAL 308 H 0.11 0.35 -0.21 -0.55 8.24 7.94 3hy1A1 VAL 308 HA -0.08 0.01 0.41 -0.75 4.13 3.71 3hy1A1 VAL 308 HB 0.17 0.13 0.10 -0.04 2.12 2.48 3hy1A1 VAL 308 HG13 0.19 -0.01 -0.16 -0.04 0.97 0.95 3hy1A1 VAL 308 HG23 0.00 0.03 0.00 -0.04 0.95 0.94 3hy1A1 LEU 309 H 0.15 0.53 -0.22 -0.55 8.37 8.28 3hy1A1 LEU 309 HA 0.04 -0.01 0.41 -0.75 4.35 4.04 3hy1A1 LEU 309 HB2 0.10 0.01 -0.01 -0.04 1.64 1.70 3hy1A1 LEU 309 HB3 0.09 0.14 0.08 -0.04 1.64 1.91 3hy1A1 LEU 309 HG 0.04 -0.02 -0.27 -0.04 1.64 1.34 3hy1A1 LEU 309 HD13 0.02 -0.03 -0.01 -0.04 0.93 0.87 3hy1A1 LEU 309 HD23 0.04 -0.02 -0.20 -0.04 0.89 0.67 3hy1A1 ARG 310 H 0.01 0.63 -0.04 -0.55 8.46 8.50 3hy1A1 ARG 310 HA -0.04 -0.03 0.40 -0.75 4.34 3.92 3hy1A1 ARG 310 HB2 0.05 -0.09 0.18 -0.04 1.90 2.01 3hy1A1 ARG 310 HB3 -0.02 0.14 0.27 -0.04 1.80 2.15 3hy1A1 ARG 310 HG2 -0.07 0.01 -0.18 -0.04 1.67 1.40 3hy1A1 ARG 310 HG3 -0.06 -0.09 0.02 -0.04 1.67 1.50 3hy1A1 ARG 310 HD2 0.25 0.15 -0.04 -0.04 3.22 3.53 3hy1A1 ARG 310 HD3 0.11 0.03 -0.05 -0.04 3.22 3.27 3hy1A1 ARG 311 H -0.29 0.70 -0.18 -0.55 8.46 8.15 3hy1A1 ARG 311 HA -0.27 0.01 0.43 -0.75 4.34 3.75 3hy1A1 ARG 311 HB2 -0.21 0.19 0.19 -0.04 1.90 2.03 3hy1A1 ARG 311 HB3 -0.17 -0.11 -0.01 -0.04 1.80 1.47 3hy1A1 ARG 311 HG2 -0.44 -0.12 0.05 -0.04 1.67 1.11 3hy1A1 ARG 311 HG3 -1.08 0.25 0.07 -0.04 1.67 0.87 3hy1A1 ARG 311 HD2 -0.31 -0.06 -0.06 -0.04 3.22 2.74 3hy1A1 ARG 311 HD3 -0.31 0.00 -0.15 -0.04 3.22 2.72 3hy1A1 ILE 312 H -0.09 0.56 -0.11 -0.55 8.25 8.05 3hy1A1 ILE 312 HA -0.08 -0.01 0.41 -0.75 4.18 3.74 3hy1A1 ILE 312 HB -0.05 0.12 0.16 -0.04 1.89 2.09 3hy1A1 ILE 312 HG12 -0.12 -0.07 0.04 -0.04 1.49 1.29 3hy1A1 ILE 312 HG13 -0.05 0.34 0.14 -0.04 1.21 1.60 3hy1A1 ILE 312 HG23 -0.34 -0.03 -0.02 -0.04 0.93 0.50 3hy1A1 ILE 312 HD13 -0.00 -0.04 -0.06 -0.04 0.88 0.73 3hy1A1 ILE 313 H -0.06 0.64 -0.08 -0.55 8.25 8.20 3hy1A1 ILE 313 HA -0.14 -0.02 0.41 -0.75 4.18 3.68 3hy1A1 ILE 313 HB -0.07 0.17 0.20 -0.04 1.89 2.14 3hy1A1 ILE 313 HG12 0.19 -0.07 0.01 -0.04 1.49 1.58 3hy1A1 ILE 313 HG13 0.04 0.20 0.02 -0.04 1.21 1.43 3hy1A1 ILE 313 HG23 -0.05 -0.03 -0.14 -0.04 0.93 0.68 3hy1A1 ILE 313 HD13 0.05 -0.01 -0.08 -0.04 0.88 0.80 3hy1A1 ARG 314 H -0.22 0.74 0.01 -0.55 8.46 8.43 3hy1A1 ARG 314 HA -0.29 -0.04 0.39 -0.75 4.34 3.64 3hy1A1 ARG 314 HB2 -0.47 0.10 0.19 -0.04 1.90 1.68 3hy1A1 ARG 314 HB3 -1.26 -0.03 0.04 -0.04 1.80 0.52 3hy1A1 ARG 314 HG2 -1.19 -0.06 0.07 -0.04 1.67 0.45 3hy1A1 ARG 314 HG3 -0.37 -0.01 0.08 -0.04 1.67 1.33 3hy1A1 ARG 314 HD2 -0.34 -0.04 -0.05 -0.04 3.22 2.76 3hy1A1 ARG 314 HD3 -0.77 0.15 0.07 -0.04 3.22 2.63 3hy1A1 ARG 315 H -0.12 0.63 -0.16 -0.55 8.46 8.27 3hy1A1 ARG 315 HA -0.01 0.00 0.49 -0.75 4.34 4.07 3hy1A1 ARG 315 HB2 0.11 0.12 0.16 -0.04 1.90 2.24 3hy1A1 ARG 315 HB3 0.19 -0.03 -0.01 -0.04 1.80 1.91 3hy1A1 ARG 315 HG2 0.02 -0.06 0.03 -0.04 1.67 1.62 3hy1A1 ARG 315 HG3 -0.06 0.08 0.05 -0.04 1.67 1.70 3hy1A1 ARG 315 HD2 0.00 -0.15 -0.21 -0.04 3.22 2.83 3hy1A1 ARG 315 HD3 0.03 0.00 -0.16 -0.04 3.22 3.05 3hy1A1 ALA 316 H -0.02 0.53 -0.21 -0.55 8.40 8.15 3hy1A1 ALA 316 HA 0.02 0.02 0.46 -0.75 4.34 4.07 3hy1A1 ALA 316 HB3 -0.29 0.03 0.12 -0.04 1.41 1.23 3hy1A1 VAL 317 H -0.17 0.57 -0.00 -0.55 8.24 8.09 3hy1A1 VAL 317 HA 0.29 -0.03 0.50 -0.75 4.13 4.14 3hy1A1 VAL 317 HB 0.19 0.15 0.16 -0.04 2.12 2.59 3hy1A1 VAL 317 HG13 0.23 -0.01 -0.06 -0.04 0.97 1.09 3hy1A1 VAL 317 HG23 -0.17 0.04 0.06 -0.04 0.95 0.83 3hy1A1 ARG 318 H 0.11 0.56 -0.20 -0.55 8.46 8.38 3hy1A1 ARG 318 HA 0.04 -0.00 0.36 -0.75 4.34 3.99 3hy1A1 ARG 318 HB2 0.06 0.13 0.15 -0.04 1.90 2.20 3hy1A1 ARG 318 HB3 -0.05 0.13 0.07 -0.04 1.80 1.91 3hy1A1 ARG 318 HG2 -0.05 -0.04 0.02 -0.04 1.67 1.56 3hy1A1 ARG 318 HG3 -0.09 -0.03 -0.04 -0.04 1.67 1.47 3hy1A1 ARG 318 HD2 -0.13 -0.04 -0.17 -0.04 3.22 2.83 3hy1A1 ARG 318 HD3 -0.08 -0.01 -0.06 -0.04 3.22 3.03 3hy1A1 HIS 319 H 0.15 0.36 -0.31 -0.55 8.41 8.07 3hy1A1 HIS 319 HA -0.03 0.05 0.50 -0.75 4.63 4.39 3hy1A1 HIS 319 HB2 -0.02 0.14 0.18 -0.04 3.26 3.53 3hy1A1 HIS 319 HB3 -0.05 -0.07 0.01 -0.04 3.20 3.04 3hy1A1 HIS 319 HD2 -0.04 0.31 0.02 -0.04 6.97 7.21 3hy1A1 HIS 319 HE1 -0.05 0.02 -0.04 -0.04 7.75 7.63 3hy1A1 GLY 320 H 0.17 0.47 -0.07 -0.55 8.43 8.46 3hy1A1 GLY 320 HA2 -0.34 0.01 0.42 -0.51 4.01 3.59 3hy1A1 GLY 320 HA3 -0.79 0.02 0.33 -0.51 4.01 3.06 3hy1A1 ASN 321 H 0.02 0.65 -0.09 -0.55 8.53 8.56 3hy1A1 ASN 321 HA -0.06 0.08 0.48 -0.75 4.76 4.51 3hy1A1 ASN 321 HB2 0.03 -0.03 0.07 -0.04 2.88 2.92 3hy1A1 ASN 321 HB3 -0.01 0.13 0.12 -0.04 2.79 2.99 3hy1A1 ASN 321 HD21 -0.02 -0.04 -0.02 -0.04 7.03 6.91 3hy1A1 ASN 321 HD22 0.00 -0.01 -0.01 -0.04 7.74 7.68 3hy1A1 MET 322 H -0.05 0.42 -0.21 -0.55 8.47 8.08 3hy1A1 MET 322 HA -0.05 0.03 0.43 -0.75 4.52 4.18 3hy1A1 MET 322 HB2 -0.09 0.01 0.13 -0.04 2.15 2.17 3hy1A1 MET 322 HB3 -0.06 0.08 0.18 -0.04 2.03 2.19 3hy1A1 MET 322 HG2 -0.04 -0.01 -0.15 -0.04 2.63 2.39 3hy1A1 MET 322 HG3 -0.05 -0.01 0.06 -0.04 2.56 2.52 3hy1A1 MET 322 HE3 -0.03 -0.00 0.01 -0.04 2.10 2.03 3hy1A1 LEU 323 H -0.08 0.36 -0.28 -0.55 8.37 7.82 3hy1A1 LEU 323 HA -0.05 -0.03 0.46 -0.75 4.35 3.98 3hy1A1 LEU 323 HB2 -0.14 0.13 0.13 -0.04 1.64 1.71 3hy1A1 LEU 323 HB3 -0.09 -0.07 -0.04 -0.04 1.64 1.40 3hy1A1 LEU 323 HG -0.03 0.13 -0.00 -0.04 1.64 1.70 3hy1A1 LEU 323 HD13 -0.06 -0.06 -0.19 -0.04 0.93 0.58 3hy1A1 LEU 323 HD23 -0.03 -0.05 -0.00 -0.04 0.89 0.76 3hy1A1 GLY 324 H -0.09 0.19 -0.34 -0.55 8.43 7.64 3hy1A1 GLY 324 HA2 -0.05 0.00 0.19 -0.51 4.01 3.65 3hy1A1 GLY 324 HA3 -0.05 0.14 0.81 -0.51 4.01 4.40 3hy1A1 ALA 325 H -0.16 0.31 0.17 -0.55 8.40 8.18 3hy1A1 ALA 325 HA -0.10 0.05 0.47 -0.75 4.34 4.00 3hy1A1 ALA 325 HB3 -0.27 -0.02 -0.01 -0.04 1.41 1.07 3hy1A1 LYS 326 H -0.00 0.15 0.22 -0.55 8.42 8.22 3hy1A1 LYS 326 HA 0.01 0.12 0.50 -0.75 4.32 4.20 3hy1A1 LYS 326 HB2 0.02 -0.04 0.09 -0.04 1.87 1.90 3hy1A1 LYS 326 HB3 0.02 -0.07 0.08 -0.04 1.79 1.78 3hy1A1 LYS 326 HG2 -0.00 -0.02 0.04 -0.04 1.46 1.43 3hy1A1 LYS 326 HG3 -0.01 0.25 0.10 -0.04 1.46 1.76 3hy1A1 LYS 326 HD2 0.00 -0.02 0.02 -0.04 1.69 1.65 3hy1A1 LYS 326 HD3 0.01 -0.07 0.02 -0.04 1.68 1.59 3hy1A1 LYS 326 HE2 -0.00 -0.03 0.02 -0.04 2.99 2.94 3hy1A1 LYS 326 HE3 -0.01 0.12 0.03 -0.04 2.99 3.08 3hy1A1 GLU 327 H 0.08 0.20 -0.07 -0.55 8.60 8.26 3hy1A1 GLU 327 HA 0.09 0.14 0.58 -0.75 4.29 4.35 3hy1A1 GLU 327 HB2 0.10 -0.10 0.12 -0.04 2.09 2.16 3hy1A1 GLU 327 HB3 0.06 0.09 -0.13 -0.04 1.99 1.98 3hy1A1 GLU 327 HG2 0.07 -0.05 -0.11 -0.04 2.34 2.20 3hy1A1 GLU 327 HG3 0.12 0.12 -0.20 -0.04 2.34 2.33 3hy1A1 THR 328 H 0.14 0.12 0.10 -0.55 8.28 8.09 3hy1A1 THR 328 HA 0.23 -0.03 0.39 -0.75 4.39 4.22 3hy1A1 THR 328 HB 0.24 0.03 0.09 -0.04 4.32 4.64 3hy1A1 THR 328 HG23 0.16 -0.03 -0.01 -0.04 1.22 1.29 3hy1A1 PHE 329 H 0.13 -0.10 0.27 -0.55 8.34 8.09 3hy1A1 PHE 329 HA 0.01 0.25 0.98 -0.75 4.62 5.10 3hy1A1 PHE 329 HB2 0.04 0.04 0.01 -0.04 3.15 3.19 3hy1A1 PHE 329 HB3 0.07 0.28 -0.02 -0.04 3.06 3.34 3hy1A1 PHE 329 HD2 0.10 0.04 -0.10 -0.04 7.28 7.28 3hy1A1 PHE 329 HE2 0.14 0.03 0.02 -0.04 7.38 7.52 3hy1A1 PHE 329 HZ 0.02 0.14 0.03 -0.04 7.32 7.47 3hy1A1 PHE 330 H -0.50 0.01 0.18 -0.55 8.34 7.48 3hy1A1 PHE 330 HA -0.55 0.14 0.20 -0.75 4.62 3.66 3hy1A1 PHE 330 HB2 -0.83 0.00 0.14 -0.04 3.15 2.42 3hy1A1 PHE 330 HB3 -0.24 0.06 0.08 -0.04 3.06 2.91 3hy1A1 PHE 330 HD2 -0.15 0.02 -0.03 -0.04 7.28 7.09 3hy1A1 PHE 330 HE2 0.03 0.03 -0.03 -0.04 7.38 7.37 3hy1A1 PHE 330 HZ 0.08 -0.01 -0.41 -0.04 7.32 6.93 3hy1A1 TYR 331 H 0.28 0.10 -0.19 -0.55 8.29 7.93 3hy1A1 TYR 331 HA -0.20 0.08 0.40 -0.75 4.56 4.08 3hy1A1 TYR 331 HB2 -0.07 0.02 0.15 -0.04 3.06 3.12 3hy1A1 TYR 331 HB3 -0.05 -0.02 -0.08 -0.04 2.98 2.79 3hy1A1 TYR 331 HD2 -0.03 -0.11 -0.18 -0.04 7.15 6.79 3hy1A1 TYR 331 HE2 0.01 0.08 -0.17 -0.04 6.85 6.72 3hy1A1 LYS 332 H -0.63 0.31 -0.46 -0.55 8.42 7.09 3hy1A1 LYS 332 HA -0.47 0.02 0.40 -0.75 4.32 3.52 3hy1A1 LYS 332 HB2 -0.23 0.28 0.10 -0.04 1.87 1.98 3hy1A1 LYS 332 HB3 -0.22 -0.02 0.11 -0.04 1.79 1.62 3hy1A1 LYS 332 HG2 -0.56 -0.04 0.02 -0.04 1.46 0.84 3hy1A1 LYS 332 HG3 -1.26 -0.12 -0.04 -0.04 1.46 0.01 3hy1A1 LYS 332 HD2 -0.07 0.06 0.13 -0.04 1.69 1.77 3hy1A1 LYS 332 HD3 -0.10 -0.03 0.04 -0.04 1.68 1.55 3hy1A1 LYS 332 HE2 0.00 -0.08 0.01 -0.04 2.99 2.88 3hy1A1 LYS 332 HE3 0.06 0.11 0.06 -0.04 2.99 3.18 3hy1A1 LEU 333 H -0.26 0.36 -0.53 -0.55 8.37 7.39 3hy1A1 LEU 333 HA -0.11 0.14 0.58 -0.75 4.35 4.20 3hy1A1 LEU 333 HB2 -0.30 0.13 0.05 -0.04 1.64 1.47 3hy1A1 LEU 333 HB3 -0.12 -0.05 0.05 -0.04 1.64 1.49 3hy1A1 LEU 333 HG -0.02 0.06 -0.11 -0.04 1.64 1.53 3hy1A1 LEU 333 HD13 0.16 -0.01 -0.07 -0.04 0.93 0.96 3hy1A1 LEU 333 HD23 0.03 0.03 -0.24 -0.04 0.89 0.66 3hy1A1 VAL 334 H -0.20 0.40 -0.25 -0.55 8.24 7.63 3hy1A1 VAL 334 HA -0.20 0.06 0.45 -0.75 4.13 3.68 3hy1A1 VAL 334 HB -0.11 0.06 0.14 -0.04 2.12 2.17 3hy1A1 VAL 334 HG13 -0.15 0.00 -0.07 -0.04 0.97 0.72 3hy1A1 VAL 334 HG23 -0.17 -0.01 0.02 -0.04 0.95 0.75 3hy1A1 GLY 335 H -0.11 0.20 -0.14 -0.55 8.43 7.83 3hy1A1 GLY 335 HA2 -0.08 0.03 0.38 -0.51 4.01 3.83 3hy1A1 GLY 335 HA3 -0.08 0.10 0.29 -0.51 4.01 3.82 3hy1A1 PRO 336 HA -0.06 0.01 0.41 -0.51 4.44 4.30 3hy1A1 PRO 336 HB2 -0.06 0.10 -0.04 -0.04 2.28 2.24 3hy1A1 PRO 336 HB3 -0.04 0.01 0.06 -0.04 2.02 2.01 3hy1A1 PRO 336 HG2 -0.06 0.10 0.09 -0.04 2.03 2.12 3hy1A1 PRO 336 HG3 -0.05 0.01 0.07 -0.04 2.03 2.02 3hy1A1 PRO 336 HD2 -0.11 0.00 -0.24 -0.04 3.68 3.30 3hy1A1 PRO 336 HD3 -0.08 0.10 0.13 -0.04 3.65 3.76 3hy1A1 LEU 337 H -0.11 0.40 -0.56 -0.55 8.37 7.55 3hy1A1 LEU 337 HA -0.10 0.01 0.47 -0.75 4.35 3.97 3hy1A1 LEU 337 HB2 -0.14 0.07 0.07 -0.04 1.64 1.60 3hy1A1 LEU 337 HB3 -0.17 0.17 0.18 -0.04 1.64 1.78 3hy1A1 LEU 337 HG -0.17 -0.03 -0.27 -0.04 1.64 1.13 3hy1A1 LEU 337 HD13 -0.08 -0.02 -0.04 -0.04 0.93 0.75 3hy1A1 LEU 337 HD23 -0.24 -0.03 -0.14 -0.04 0.89 0.44 3hy1A1 ILE 338 H -0.12 0.60 -0.04 -0.55 8.25 8.15 3hy1A1 ILE 338 HA -0.10 -0.03 0.40 -0.75 4.18 3.70 3hy1A1 ILE 338 HB -0.08 0.17 0.19 -0.04 1.89 2.13 3hy1A1 ILE 338 HG12 -0.16 -0.06 -0.10 -0.04 1.49 1.12 3hy1A1 ILE 338 HG13 -0.16 0.21 0.06 -0.04 1.21 1.28 3hy1A1 ILE 338 HG23 -0.06 -0.02 -0.11 -0.04 0.93 0.69 3hy1A1 ILE 338 HD13 -0.10 -0.01 -0.05 -0.04 0.88 0.68 3hy1A1 ASP 339 H -0.06 0.40 -0.22 -0.55 8.40 7.97 3hy1A1 ASP 339 HA -0.04 0.03 0.41 -0.75 4.63 4.27 3hy1A1 ASP 339 HB2 -0.04 0.12 0.13 -0.04 2.71 2.88 3hy1A1 ASP 339 HB3 -0.03 -0.03 -0.01 -0.04 2.70 2.58 3hy1A1 VAL 340 H -0.06 0.50 -0.13 -0.55 8.24 8.01 3hy1A1 VAL 340 HA -0.04 0.03 0.30 -0.75 4.13 3.66 3hy1A1 VAL 340 HB -0.08 -0.18 0.22 -0.04 2.12 2.04 3hy1A1 VAL 340 HG13 -0.05 0.04 0.05 -0.04 0.97 0.96 3hy1A1 VAL 340 HG23 -0.11 0.06 0.03 -0.04 0.95 0.89 3hy1A1 MET 341 H -0.03 0.21 -0.89 -0.55 8.47 7.21 3hy1A1 MET 341 HA -0.01 0.10 0.91 -0.75 4.52 4.77 3hy1A1 MET 341 HB2 0.03 0.13 0.03 -0.04 2.15 2.29 3hy1A1 MET 341 HB3 0.09 -0.19 -0.15 -0.04 2.03 1.74 3hy1A1 MET 341 HG2 -0.03 0.12 -0.25 -0.04 2.63 2.43 3hy1A1 MET 341 HG3 0.12 -0.01 -0.13 -0.04 2.56 2.50 3hy1A1 MET 341 HE3 0.11 -0.02 -0.14 -0.04 2.10 2.00 3hy1A1 GLY 342 H -0.01 0.58 0.10 -0.55 8.43 8.56 3hy1A1 GLY 342 HA2 -0.01 0.13 0.36 -0.51 4.01 3.98 3hy1A1 GLY 342 HA3 -0.00 0.01 0.41 -0.51 4.01 3.92 3hy1A1 SER 343 H 0.01 0.20 0.28 -0.55 8.46 8.39 3hy1A1 SER 343 HA 0.02 0.06 0.31 -0.75 4.49 4.13 3hy1A1 SER 343 HB2 0.02 0.01 0.08 -0.04 3.95 4.02 3hy1A1 SER 343 HB3 0.02 0.02 0.08 -0.04 3.93 4.01 3hy1A1 ALA 344 H 0.04 0.35 -0.36 -0.55 8.40 7.87 3hy1A1 ALA 344 HA 0.05 0.12 0.48 -0.75 4.34 4.25 3hy1A1 ALA 344 HB3 0.04 0.01 0.01 -0.04 1.41 1.43 3hy1A1 GLY 345 H 0.07 0.38 -0.58 -0.55 8.43 7.75 3hy1A1 GLY 345 HA2 0.25 0.13 0.68 -0.51 4.01 4.57 3hy1A1 GLY 345 HA3 0.04 0.05 0.25 -0.51 4.01 3.84 3hy1A1 GLU 346 H 0.07 0.26 -0.51 -0.55 8.60 7.87 3hy1A1 GLU 346 HA 0.00 0.10 0.31 -0.75 4.29 3.95 3hy1A1 GLU 346 HB2 0.04 -0.03 0.13 -0.04 2.09 2.19 3hy1A1 GLU 346 HB3 0.02 -0.01 -0.01 -0.04 1.99 1.95 3hy1A1 GLU 346 HG2 0.01 -0.06 0.04 -0.04 2.34 2.30 3hy1A1 GLU 346 HG3 0.03 0.35 0.12 -0.04 2.34 2.79 3hy1A1 ASP 347 H 0.04 0.17 -0.03 -0.55 8.40 8.04 3hy1A1 ASP 347 HA -0.01 0.05 0.38 -0.75 4.63 4.30 3hy1A1 ASP 347 HB2 0.02 0.04 -0.07 -0.04 2.71 2.67 3hy1A1 ASP 347 HB3 0.01 0.08 0.08 -0.04 2.70 2.83 3hy1A1 LEU 348 H -0.08 0.06 -0.74 -0.55 8.37 7.07 3hy1A1 LEU 348 HA -0.18 0.12 0.38 -0.75 4.35 3.92 3hy1A1 LEU 348 HB2 -0.56 -0.10 -0.03 -0.04 1.64 0.91 3hy1A1 LEU 348 HB3 -0.28 0.16 -0.01 -0.04 1.64 1.47 3hy1A1 LEU 348 HG -0.29 0.02 -0.03 -0.04 1.64 1.30 3hy1A1 LEU 348 HD13 -0.36 0.02 -0.00 -0.04 0.93 0.55 3hy1A1 LEU 348 HD23 -0.81 -0.02 -0.10 -0.04 0.89 -0.08 3hy1A1 LYS 349 H -0.07 0.43 -0.22 -0.55 8.42 8.01 3hy1A1 LYS 349 HA -0.07 0.04 0.59 -0.75 4.32 4.13 3hy1A1 LYS 349 HB2 -0.03 0.06 0.10 -0.04 1.87 1.96 3hy1A1 LYS 349 HB3 -0.04 -0.07 -0.01 -0.04 1.79 1.63 3hy1A1 LYS 349 HG2 -0.04 -0.07 -0.01 -0.04 1.46 1.30 3hy1A1 LYS 349 HG3 -0.06 -0.02 -0.03 -0.04 1.46 1.30 3hy1A1 LYS 349 HD2 -0.02 -0.02 -0.15 -0.04 1.69 1.46 3hy1A1 LYS 349 HD3 -0.03 0.19 0.14 -0.04 1.68 1.94 3hy1A1 LYS 349 HE2 -0.02 0.01 0.02 -0.04 2.99 2.97 3hy1A1 LYS 349 HE3 -0.02 -0.05 -0.04 -0.04 2.99 2.84 3hy1A1 ARG 350 H -0.04 0.27 -0.10 -0.55 8.46 8.04 3hy1A1 ARG 350 HA -0.02 -0.01 0.35 -0.75 4.34 3.90 3hy1A1 ARG 350 HB2 -0.02 0.02 0.16 -0.04 1.90 2.01 3hy1A1 ARG 350 HB3 -0.02 0.02 0.18 -0.04 1.80 1.93 3hy1A1 ARG 350 HG2 -0.01 -0.02 -0.05 -0.04 1.67 1.54 3hy1A1 ARG 350 HG3 -0.01 -0.02 0.04 -0.04 1.67 1.64 3hy1A1 ARG 350 HD2 -0.01 0.02 0.03 -0.04 3.22 3.22 3hy1A1 ARG 350 HD3 -0.00 -0.02 0.01 -0.04 3.22 3.16 3hy1A1 GLN 351 H -0.04 0.41 -0.03 -0.55 8.47 8.27 3hy1A1 GLN 351 HA -0.03 0.04 0.92 -0.75 4.36 4.53 3hy1A1 GLN 351 HB2 -0.05 -0.17 -0.02 -0.04 2.15 1.87 3hy1A1 GLN 351 HB3 -0.03 0.00 0.09 -0.04 2.02 2.04 3hy1A1 GLN 351 HG2 -0.05 0.23 0.24 -0.04 2.40 2.78 3hy1A1 GLN 351 HG3 -0.06 -0.05 0.11 -0.04 2.39 2.35 3hy1A1 GLN 351 HE21 -0.01 0.01 0.02 -0.04 6.97 6.95 3hy1A1 GLN 351 HE22 -0.02 -0.06 0.00 -0.04 7.69 7.57 3hy1A1 GLN 352 H -0.04 0.14 0.03 -0.55 8.47 8.06 3hy1A1 GLN 352 HA -0.09 0.35 0.95 -0.75 4.36 4.82 3hy1A1 GLN 352 HB2 -0.07 0.21 0.14 -0.04 2.15 2.39 3hy1A1 GLN 352 HB3 -0.04 -0.02 0.18 -0.04 2.02 2.09 3hy1A1 GLN 352 HG2 -0.03 -0.07 -0.27 -0.04 2.40 1.99 3hy1A1 GLN 352 HG3 -0.07 -0.06 -0.02 -0.04 2.39 2.21 3hy1A1 GLN 352 HE21 -0.05 0.01 -0.01 -0.04 6.97 6.89 3hy1A1 GLN 352 HE22 -0.04 -0.06 -0.04 -0.04 7.69 7.50 3hy1A1 ALA 353 H -0.03 0.17 0.20 -0.55 8.40 8.19 3hy1A1 ALA 353 HA -0.01 0.10 0.39 -0.75 4.34 4.06 3hy1A1 ALA 353 HB3 -0.01 0.04 0.11 -0.04 1.41 1.51 3hy1A1 GLN 354 H -0.03 0.11 -0.12 -0.55 8.47 7.89 3hy1A1 GLN 354 HA -0.02 0.09 0.39 -0.75 4.36 4.07 3hy1A1 GLN 354 HB2 -0.03 0.03 -0.02 -0.04 2.15 2.09 3hy1A1 GLN 354 HB3 -0.02 0.07 -0.00 -0.04 2.02 2.03 3hy1A1 GLN 354 HG2 -0.02 0.01 0.03 -0.04 2.40 2.39 3hy1A1 GLN 354 HG3 -0.02 -0.06 0.09 -0.04 2.39 2.36 3hy1A1 GLN 354 HE21 -0.01 0.04 -0.00 -0.04 6.97 6.96 3hy1A1 GLN 354 HE22 -0.01 -0.02 0.01 -0.04 7.69 7.62 3hy1A1 VAL 355 H -0.05 0.13 -0.57 -0.55 8.24 7.21 3hy1A1 VAL 355 HA -0.04 0.06 0.43 -0.75 4.13 3.83 3hy1A1 VAL 355 HB -0.09 0.18 0.08 -0.04 2.12 2.24 3hy1A1 VAL 355 HG13 -0.12 -0.02 -0.04 -0.04 0.97 0.75 3hy1A1 VAL 355 HG23 -0.09 -0.01 -0.06 -0.04 0.95 0.76 3hy1A1 GLU 356 H -0.03 0.67 0.02 -0.55 8.60 8.72 3hy1A1 GLU 356 HA 0.04 -0.01 0.47 -0.75 4.29 4.05 3hy1A1 GLU 356 HB2 0.02 0.03 0.14 -0.04 2.09 2.24 3hy1A1 GLU 356 HB3 0.15 -0.04 -0.01 -0.04 1.99 2.05 3hy1A1 GLU 356 HG2 0.04 0.12 0.12 -0.04 2.34 2.58 3hy1A1 GLU 356 HG3 -0.02 0.11 0.05 -0.04 2.34 2.44 3hy1A1 GLN 357 H -0.02 0.55 -0.35 -0.55 8.47 8.10 3hy1A1 GLN 357 HA -0.08 0.02 0.48 -0.75 4.36 4.03 3hy1A1 GLN 357 HB2 -0.03 0.09 0.11 -0.04 2.15 2.28 3hy1A1 GLN 357 HB3 -0.03 0.10 0.14 -0.04 2.02 2.19 3hy1A1 GLN 357 HG2 -0.03 0.00 -0.01 -0.04 2.40 2.33 3hy1A1 GLN 357 HG3 -0.03 -0.02 -0.11 -0.04 2.39 2.19 3hy1A1 GLN 357 HE21 -0.07 -0.00 -0.01 -0.04 6.97 6.85 3hy1A1 GLN 357 HE22 -0.05 0.03 -0.01 -0.04 7.69 7.63 3hy1A1 VAL 358 H -0.02 0.58 -0.00 -0.55 8.24 8.24 3hy1A1 VAL 358 HA -0.00 0.02 0.45 -0.75 4.13 3.85 3hy1A1 VAL 358 HB -0.01 0.07 0.20 -0.04 2.12 2.35 3hy1A1 VAL 358 HG13 0.02 -0.01 -0.07 -0.04 0.97 0.87 3hy1A1 VAL 358 HG23 -0.00 0.07 0.09 -0.04 0.95 1.07 3hy1A1 LEU 359 H 0.00 0.67 -0.14 -0.55 8.37 8.36 3hy1A1 LEU 359 HA 0.09 0.01 0.37 -0.75 4.35 4.06 3hy1A1 LEU 359 HB2 0.03 0.13 0.08 -0.04 1.64 1.84 3hy1A1 LEU 359 HB3 0.11 -0.14 -0.07 -0.04 1.64 1.49 3hy1A1 LEU 359 HG -0.01 0.09 -0.00 -0.04 1.64 1.69 3hy1A1 LEU 359 HD13 -0.22 -0.01 -0.11 -0.04 0.93 0.55 3hy1A1 LEU 359 HD23 0.21 -0.03 -0.07 -0.04 0.89 0.97 3hy1A1 LYS 360 H -0.04 0.36 -0.51 -0.55 8.42 7.68 3hy1A1 LYS 360 HA -0.07 -0.08 0.55 -0.75 4.32 3.96 3hy1A1 LYS 360 HB2 -0.37 0.32 0.21 -0.04 1.87 2.00 3hy1A1 LYS 360 HB3 -0.20 0.05 0.18 -0.04 1.79 1.78 3hy1A1 LYS 360 HG2 -0.28 -0.05 -0.04 -0.04 1.46 1.05 3hy1A1 LYS 360 HG3 -1.06 -0.08 0.01 -0.04 1.46 0.28 3hy1A1 LYS 360 HD2 -0.61 0.01 -0.03 -0.04 1.69 1.02 3hy1A1 LYS 360 HD3 -0.26 0.02 -0.02 -0.04 1.68 1.38 3hy1A1 LYS 360 HE2 -0.21 -0.03 -0.02 -0.04 2.99 2.69 3hy1A1 LYS 360 HE3 -0.45 0.00 -0.03 -0.04 2.99 2.47 3hy1A1 THR 361 H -0.05 0.67 0.11 -0.55 8.28 8.46 3hy1A1 THR 361 HA -0.02 0.01 0.41 -0.75 4.39 4.05 3hy1A1 THR 361 HB -0.00 0.08 0.17 -0.04 4.32 4.53 3hy1A1 THR 361 HG23 0.01 -0.01 -0.08 -0.04 1.22 1.09 3hy1A1 GLU 362 H 0.02 0.55 -0.21 -0.55 8.60 8.41 3hy1A1 GLU 362 HA 0.04 0.03 0.33 -0.75 4.29 3.94 3hy1A1 GLU 362 HB2 0.05 0.10 0.13 -0.04 2.09 2.32 3hy1A1 GLU 362 HB3 0.03 -0.05 -0.05 -0.04 1.99 1.88 3hy1A1 GLU 362 HG2 0.03 0.08 0.06 -0.04 2.34 2.47 3hy1A1 GLU 362 HG3 0.03 -0.04 -0.01 -0.04 2.34 2.28 3hy1A1 GLU 363 H 0.06 0.44 -0.13 -0.55 8.60 8.42 3hy1A1 GLU 363 HA 0.12 0.01 0.50 -0.75 4.29 4.16 3hy1A1 GLU 363 HB2 0.03 -0.02 0.18 -0.04 2.09 2.24 3hy1A1 GLU 363 HB3 0.06 0.13 0.23 -0.04 1.99 2.37 3hy1A1 GLU 363 HG2 0.10 0.06 -0.21 -0.04 2.34 2.25 3hy1A1 GLU 363 HG3 0.11 0.01 0.08 -0.04 2.34 2.49 3hy1A1 GLU 364 H 0.04 0.63 -0.14 -0.55 8.60 8.58 3hy1A1 GLU 364 HA 0.05 -0.03 0.38 -0.75 4.29 3.94 3hy1A1 GLU 364 HB2 -0.00 0.22 0.17 -0.04 2.09 2.44 3hy1A1 GLU 364 HB3 0.01 0.03 0.01 -0.04 1.99 2.00 3hy1A1 GLU 364 HG2 0.01 0.00 0.03 -0.04 2.34 2.34 3hy1A1 GLU 364 HG3 0.02 -0.06 0.07 -0.04 2.34 2.32 3hy1A1 GLN 365 H 0.07 0.48 -0.24 -0.55 8.47 8.23 3hy1A1 GLN 365 HA 0.06 0.07 0.54 -0.75 4.36 4.27 3hy1A1 GLN 365 HB2 0.09 0.07 0.12 -0.04 2.15 2.39 3hy1A1 GLN 365 HB3 0.07 -0.03 0.02 -0.04 2.02 2.04 3hy1A1 GLN 365 HG2 0.04 -0.07 0.00 -0.04 2.40 2.32 3hy1A1 GLN 365 HG3 0.04 0.24 -0.04 -0.04 2.39 2.59 3hy1A1 GLN 365 HE21 0.03 -0.02 -0.06 -0.04 6.97 6.88 3hy1A1 GLN 365 HE22 0.03 -0.02 -0.14 -0.04 7.69 7.52 3hy1A1 PHE 366 H 0.22 0.51 0.05 -0.55 8.34 8.57 3hy1A1 PHE 366 HA 0.06 0.11 0.46 -0.75 4.62 4.50 3hy1A1 PHE 366 HB2 0.01 0.05 0.16 -0.04 3.15 3.32 3hy1A1 PHE 366 HB3 0.00 0.01 0.16 -0.04 3.06 3.19 3hy1A1 PHE 366 HD2 0.01 0.02 0.05 -0.04 7.28 7.31 3hy1A1 PHE 366 HE2 -0.09 0.10 -0.09 -0.04 7.38 7.25 3hy1A1 PHE 366 HZ -0.90 -0.05 -0.07 -0.04 7.32 6.26 3hy1A1 ALA 367 H 0.08 0.63 -0.20 -0.55 8.40 8.37 3hy1A1 ALA 367 HA -0.13 -0.07 0.44 -0.75 4.34 3.82 3hy1A1 ALA 367 HB3 0.03 0.04 0.08 -0.04 1.41 1.52 3hy1A1 ARG 368 H 0.03 0.38 -0.69 -0.55 8.46 7.63 3hy1A1 ARG 368 HA 0.02 0.01 0.40 -0.75 4.34 4.01 3hy1A1 ARG 368 HB2 0.04 0.12 0.23 -0.04 1.90 2.25 3hy1A1 ARG 368 HB3 0.04 0.04 0.04 -0.04 1.80 1.89 3hy1A1 ARG 368 HG2 0.02 -0.04 0.06 -0.04 1.67 1.67 3hy1A1 ARG 368 HG3 0.02 -0.04 0.12 -0.04 1.67 1.72 3hy1A1 ARG 368 HD2 0.02 -0.06 0.03 -0.04 3.22 3.17 3hy1A1 ARG 368 HD3 0.02 0.04 0.06 -0.04 3.22 3.31 3hy1A1 THR 369 H -0.03 0.38 -0.28 -0.55 8.28 7.80 3hy1A1 THR 369 HA 0.11 0.13 0.90 -0.75 4.39 4.78 3hy1A1 THR 369 HB 0.32 -0.14 0.15 -0.04 4.32 4.62 3hy1A1 THR 369 HG23 0.05 0.02 -0.16 -0.04 1.22 1.08 3hy1A1 LEU 370 H -0.22 0.32 0.13 -0.55 8.37 8.06 3hy1A1 LEU 370 HA -0.21 0.06 0.33 -0.75 4.35 3.78 3hy1A1 LEU 370 HB2 -1.09 0.09 -0.03 -0.04 1.64 0.57 3hy1A1 LEU 370 HB3 -0.27 -0.02 0.18 -0.04 1.64 1.49 3hy1A1 LEU 370 HG -0.13 0.00 -0.26 -0.04 1.64 1.21 3hy1A1 LEU 370 HD13 -0.30 -0.01 -0.04 -0.04 0.93 0.54 3hy1A1 LEU 370 HD23 -0.09 0.00 -0.10 -0.04 0.89 0.65 3hy1A1 GLU 371 H -0.06 0.27 -0.01 -0.55 8.60 8.25 3hy1A1 GLU 371 HA -0.02 0.07 0.32 -0.75 4.29 3.91 3hy1A1 GLU 371 HB2 -0.02 0.05 0.07 -0.04 2.09 2.15 3hy1A1 GLU 371 HB3 -0.02 0.02 -0.01 -0.04 1.99 1.95 3hy1A1 GLU 371 HG2 -0.02 0.01 -0.00 -0.04 2.34 2.28 3hy1A1 GLU 371 HG3 -0.03 -0.01 0.04 -0.04 2.34 2.29 3hy1A1 ARG 372 H 0.00 0.16 -0.36 -0.55 8.46 7.71 3hy1A1 ARG 372 HA -0.03 0.06 0.53 -0.75 4.34 4.15 3hy1A1 ARG 372 HB2 0.13 0.12 0.06 -0.04 1.90 2.17 3hy1A1 ARG 372 HB3 0.12 -0.02 0.02 -0.04 1.80 1.88 3hy1A1 ARG 372 HG2 0.03 -0.02 0.01 -0.04 1.67 1.64 3hy1A1 ARG 372 HG3 0.03 -0.01 -0.02 -0.04 1.67 1.63 3hy1A1 ARG 372 HD2 0.08 -0.04 0.02 -0.04 3.22 3.23 3hy1A1 ARG 372 HD3 0.04 -0.00 0.02 -0.04 3.22 3.23 3hy1A1 GLY 373 H -0.11 0.65 -0.12 -0.55 8.43 8.31 3hy1A1 GLY 373 HA2 -1.34 -0.03 0.50 -0.51 4.01 2.64 3hy1A1 GLY 373 HA3 -0.83 0.13 0.34 -0.51 4.01 3.13 3hy1A1 LEU 374 H -0.01 0.53 -0.10 -0.55 8.37 8.24 3hy1A1 LEU 374 HA 0.03 0.00 0.46 -0.75 4.35 4.09 3hy1A1 LEU 374 HB2 0.00 0.12 0.11 -0.04 1.64 1.83 3hy1A1 LEU 374 HB3 0.01 -0.01 0.01 -0.04 1.64 1.60 3hy1A1 LEU 374 HG 0.15 0.17 -0.02 -0.04 1.64 1.90 3hy1A1 LEU 374 HD13 -0.01 -0.01 -0.07 -0.04 0.93 0.80 3hy1A1 LEU 374 HD23 0.13 -0.02 -0.03 -0.04 0.89 0.93 3hy1A1 ALA 375 H -0.10 0.39 -0.34 -0.55 8.40 7.80 3hy1A1 ALA 375 HA -0.05 0.05 0.55 -0.75 4.34 4.14 3hy1A1 ALA 375 HB3 -0.05 0.05 0.11 -0.04 1.41 1.48 3hy1A1 LEU 376 H -0.23 0.55 -0.04 -0.55 8.37 8.11 3hy1A1 LEU 376 HA -0.10 0.00 0.43 -0.75 4.35 3.93 3hy1A1 LEU 376 HB2 -0.37 0.10 0.16 -0.04 1.64 1.49 3hy1A1 LEU 376 HB3 -0.47 0.17 0.17 -0.04 1.64 1.46 3hy1A1 LEU 376 HG -0.19 -0.02 -0.03 -0.04 1.64 1.35 3hy1A1 LEU 376 HD13 -0.07 -0.03 -0.16 -0.04 0.93 0.63 3hy1A1 LEU 376 HD23 0.02 -0.01 0.01 -0.04 0.89 0.88 3hy1A1 LEU 377 H -0.18 0.54 -0.32 -0.55 8.37 7.87 3hy1A1 LEU 377 HA -0.06 -0.05 0.36 -0.75 4.35 3.85 3hy1A1 LEU 377 HB2 -0.08 0.03 0.07 -0.04 1.64 1.62 3hy1A1 LEU 377 HB3 -0.03 0.16 0.13 -0.04 1.64 1.86 3hy1A1 LEU 377 HG 0.01 0.03 -0.24 -0.04 1.64 1.39 3hy1A1 LEU 377 HD13 0.01 -0.03 -0.06 -0.04 0.93 0.81 3hy1A1 LEU 377 HD23 0.08 -0.00 -0.06 -0.04 0.89 0.87 3hy1A1 ASP 378 H -0.04 0.59 -0.09 -0.55 8.40 8.31 3hy1A1 ASP 378 HA -0.01 0.00 0.38 -0.75 4.63 4.25 3hy1A1 ASP 378 HB2 -0.03 0.08 0.20 -0.04 2.71 2.93 3hy1A1 ASP 378 HB3 -0.02 -0.04 0.01 -0.04 2.70 2.62 3hy1A1 GLU 379 H -0.04 0.58 -0.26 -0.55 8.60 8.34 3hy1A1 GLU 379 HA -0.01 0.03 0.48 -0.75 4.29 4.04 3hy1A1 GLU 379 HB2 -0.03 0.16 0.16 -0.04 2.09 2.35 3hy1A1 GLU 379 HB3 -0.01 -0.07 -0.01 -0.04 1.99 1.86 3hy1A1 GLU 379 HG2 -0.01 -0.05 0.02 -0.04 2.34 2.26 3hy1A1 GLU 379 HG3 -0.03 0.18 0.04 -0.04 2.34 2.49 3hy1A1 GLU 380 H -0.02 0.48 -0.11 -0.55 8.60 8.40 3hy1A1 GLU 380 HA 0.00 0.00 0.40 -0.75 4.29 3.94 3hy1A1 GLU 380 HB2 -0.01 0.15 0.14 -0.04 2.09 2.33 3hy1A1 GLU 380 HB3 0.01 -0.14 0.02 -0.04 1.99 1.84 3hy1A1 GLU 380 HG2 -0.02 0.32 0.11 -0.04 2.34 2.71 3hy1A1 GLU 380 HG3 0.01 -0.14 0.01 -0.04 2.34 2.18 3hy1A1 LEU 381 H -0.01 0.50 -0.22 -0.55 8.37 8.10 3hy1A1 LEU 381 HA 0.00 -0.02 0.47 -0.75 4.35 4.05 3hy1A1 LEU 381 HB2 -0.00 0.12 0.12 -0.04 1.64 1.83 3hy1A1 LEU 381 HB3 0.00 0.01 -0.02 -0.04 1.64 1.59 3hy1A1 LEU 381 HG 0.00 0.16 -0.06 -0.04 1.64 1.71 3hy1A1 LEU 381 HD13 0.00 -0.01 -0.11 -0.04 0.93 0.77 3hy1A1 LEU 381 HD23 0.01 -0.03 -0.08 -0.04 0.89 0.75 3hy1A1 ALA 382 H -0.00 0.40 -0.20 -0.55 8.40 8.05 3hy1A1 ALA 382 HA -0.00 0.07 0.48 -0.75 4.34 4.14 3hy1A1 ALA 382 HB3 -0.00 0.02 0.12 -0.04 1.41 1.50 3hy1A1 LYS 383 H 0.00 0.27 -0.26 -0.55 8.42 7.87 3hy1A1 LYS 383 HA 0.00 0.03 0.44 -0.75 4.32 4.04 3hy1A1 LYS 383 HB2 0.01 0.08 0.09 -0.04 1.87 2.01 3hy1A1 LYS 383 HB3 0.01 -0.10 0.08 -0.04 1.79 1.73 3hy1A1 LYS 383 HG2 0.00 -0.04 0.02 -0.04 1.46 1.40 3hy1A1 LYS 383 HG3 0.00 0.14 0.04 -0.04 1.46 1.61 3hy1A1 LYS 383 HD2 0.00 -0.02 -0.07 -0.04 1.69 1.56 3hy1A1 LYS 383 HD3 0.00 -0.04 -0.07 -0.04 1.68 1.53 3hy1A1 LYS 383 HE2 0.01 -0.04 -0.00 -0.04 2.99 2.91 3hy1A1 LYS 383 HE3 0.01 0.01 0.00 -0.04 2.99 2.96 3hy1A1 LEU 384 H 0.00 0.26 -0.76 -0.55 8.37 7.33 3hy1A1 LEU 384 HA 0.01 -0.10 0.48 -0.75 4.35 3.99 3hy1A1 LEU 384 HB2 0.01 0.13 0.18 -0.04 1.64 1.92 3hy1A1 LEU 384 HB3 0.00 0.05 -0.00 -0.04 1.64 1.65 3hy1A1 LEU 384 HG 0.01 -0.08 -0.23 -0.04 1.64 1.30 3hy1A1 LEU 384 HD13 0.01 0.00 0.06 -0.04 0.93 0.96 3hy1A1 LEU 384 HD23 0.01 -0.02 -0.35 -0.04 0.89 0.48 3hy1A1 SER 385 H 0.01 0.13 0.15 -0.55 8.46 8.20 3hy1A1 SER 385 HA 0.00 0.19 0.77 -0.75 4.49 4.70 3hy1A1 SER 385 HB2 0.00 0.09 0.05 -0.04 3.95 4.04 3hy1A1 SER 385 HB3 0.00 -0.07 0.23 -0.04 3.93 4.05 3hy1A1 GLY 386 H 0.00 0.39 0.10 -0.55 8.43 8.37 3hy1A1 GLY 386 HA2 0.00 0.03 0.36 -0.51 4.01 3.90 3hy1A1 GLY 386 HA3 0.00 0.06 0.57 -0.51 4.01 4.14 3hy1A1 ASP 387 H 0.00 0.09 0.13 -0.55 8.40 8.08 3hy1A1 ASP 387 HA 0.00 0.35 0.95 -0.75 4.63 5.17 3hy1A1 ASP 387 HB2 -0.00 0.22 0.29 -0.04 2.71 3.18 3hy1A1 ASP 387 HB3 -0.00 0.02 0.01 -0.04 2.70 2.68 3hy1A1 THR 388 H 0.01 0.14 -0.09 -0.55 8.28 7.78 3hy1A1 THR 388 HA 0.01 0.30 0.96 -0.75 4.39 4.91 3hy1A1 THR 388 HB 0.01 -0.02 0.00 -0.04 4.32 4.28 3hy1A1 THR 388 HG23 0.02 -0.02 -0.35 -0.04 1.22 0.82 3hy1A1 LEU 389 H 0.02 0.95 0.31 -0.55 8.37 9.10 3hy1A1 LEU 389 HA 0.02 0.14 0.66 -0.75 4.35 4.42 3hy1A1 LEU 389 HB2 0.02 0.12 0.01 -0.04 1.64 1.75 3hy1A1 LEU 389 HB3 0.03 -0.07 0.14 -0.04 1.64 1.69 3hy1A1 LEU 389 HG 0.05 0.05 -0.25 -0.04 1.64 1.45 3hy1A1 LEU 389 HD13 0.02 0.00 -0.07 -0.04 0.93 0.85 3hy1A1 LEU 389 HD23 0.04 -0.01 -0.14 -0.04 0.89 0.74 3hy1A1 ASP 390 H 0.03 0.24 0.15 -0.55 8.40 8.28 3hy1A1 ASP 390 HA 0.04 0.05 0.41 -0.75 4.63 4.37 3hy1A1 ASP 390 HB2 0.04 -0.10 0.11 -0.04 2.71 2.72 3hy1A1 ASP 390 HB3 0.03 0.18 0.14 -0.04 2.70 3.01 3hy1A1 GLY 391 H 0.06 0.15 0.22 -0.55 8.43 8.32 3hy1A1 GLY 391 HA2 0.17 0.14 0.38 -0.51 4.01 4.19 3hy1A1 GLY 391 HA3 0.13 -0.08 0.20 -0.51 4.01 3.74 3hy1A1 GLU 392 H 0.08 0.09 -0.21 -0.55 8.60 8.01 3hy1A1 GLU 392 HA 0.13 0.12 0.39 -0.75 4.29 4.18 3hy1A1 GLU 392 HB2 0.06 -0.03 0.03 -0.04 2.09 2.12 3hy1A1 GLU 392 HB3 0.08 0.10 -0.05 -0.04 1.99 2.09 3hy1A1 GLU 392 HG2 0.00 0.07 0.01 -0.04 2.34 2.38 3hy1A1 GLU 392 HG3 0.01 -0.10 0.01 -0.04 2.34 2.21 3hy1A1 THR 393 H 0.10 0.14 -0.29 -0.55 8.28 7.68 3hy1A1 THR 393 HA 0.09 0.11 0.46 -0.75 4.39 4.30 3hy1A1 THR 393 HB 0.07 0.11 0.04 -0.04 4.32 4.49 3hy1A1 THR 393 HG23 0.02 0.02 -0.15 -0.04 1.22 1.07 3hy1A1 ALA 394 H 0.16 0.30 -0.21 -0.55 8.40 8.10 3hy1A1 ALA 394 HA 0.15 0.06 0.34 -0.75 4.34 4.14 3hy1A1 ALA 394 HB3 0.17 0.02 0.02 -0.04 1.41 1.58 3hy1A1 PHE 395 H 0.42 0.47 -0.27 -0.55 8.34 8.41 3hy1A1 PHE 395 HA 0.37 0.03 0.47 -0.75 4.62 4.74 3hy1A1 PHE 395 HB2 -0.04 -0.02 0.10 -0.04 3.15 3.15 3hy1A1 PHE 395 HB3 0.07 0.10 0.14 -0.04 3.06 3.33 3hy1A1 PHE 395 HD2 -0.16 0.02 -0.08 -0.04 7.28 7.01 3hy1A1 PHE 395 HE2 0.00 0.01 -0.05 -0.04 7.38 7.30 3hy1A1 PHE 395 HZ 0.02 0.02 -0.02 -0.04 7.32 7.30 3hy1A1 ARG 396 H 0.23 0.42 -0.24 -0.55 8.46 8.31 3hy1A1 ARG 396 HA -0.03 0.04 0.47 -0.75 4.34 4.06 3hy1A1 ARG 396 HB2 0.14 0.05 0.13 -0.04 1.90 2.18 3hy1A1 ARG 396 HB3 0.11 0.12 0.17 -0.04 1.80 2.16 3hy1A1 ARG 396 HG2 0.15 0.02 -0.05 -0.04 1.67 1.74 3hy1A1 ARG 396 HG3 0.15 -0.07 -0.10 -0.04 1.67 1.60 3hy1A1 ARG 396 HD2 0.08 0.01 -0.01 -0.04 3.22 3.26 3hy1A1 ARG 396 HD3 0.05 0.01 -0.01 -0.04 3.22 3.23 3hy1A1 LEU 397 H 0.10 0.53 -0.10 -0.55 8.37 8.35 3hy1A1 LEU 397 HA 0.07 0.02 0.43 -0.75 4.35 4.11 3hy1A1 LEU 397 HB2 0.10 0.12 0.06 -0.04 1.64 1.88 3hy1A1 LEU 397 HB3 -0.35 -0.05 -0.01 -0.04 1.64 1.20 3hy1A1 LEU 397 HG -0.08 0.11 0.04 -0.04 1.64 1.66 3hy1A1 LEU 397 HD13 -0.00 -0.03 -0.11 -0.04 0.93 0.74 3hy1A1 LEU 397 HD23 -0.70 -0.01 0.00 -0.04 0.89 0.13 3hy1A1 TYR 398 H 0.26 0.28 -0.49 -0.55 8.29 7.79 3hy1A1 TYR 398 HA 0.21 0.11 0.46 -0.75 4.56 4.58 3hy1A1 TYR 398 HB2 0.31 0.04 0.10 -0.04 3.06 3.47 3hy1A1 TYR 398 HB3 0.16 0.04 0.20 -0.04 2.98 3.34 3hy1A1 TYR 398 HD2 -0.02 0.04 -0.09 -0.04 7.15 7.04 3hy1A1 TYR 398 HE2 0.08 -0.02 -0.05 -0.04 6.85 6.82 3hy1A1 ASP 399 H -0.22 0.70 0.08 -0.55 8.40 8.41 3hy1A1 ASP 399 HA -0.49 0.02 0.33 -0.75 4.63 3.74 3hy1A1 ASP 399 HB2 -1.01 -0.00 0.12 -0.04 2.71 1.78 3hy1A1 ASP 399 HB3 -0.39 -0.01 0.15 -0.04 2.70 2.41 3hy1A1 THR 400 H -0.14 0.51 -0.09 -0.55 8.28 8.01 3hy1A1 THR 400 HA -0.23 0.17 0.73 -0.75 4.39 4.32 3hy1A1 THR 400 HB -0.38 0.09 0.12 -0.04 4.32 4.11 3hy1A1 THR 400 HG23 -0.82 -0.01 -0.15 -0.04 1.22 0.20 3hy1A1 TYR 401 H 0.05 0.19 -0.01 -0.55 8.29 7.96 3hy1A1 TYR 401 HA 0.05 0.16 0.54 -0.75 4.56 4.55 3hy1A1 TYR 401 HB2 -0.33 0.07 0.17 -0.04 3.06 2.92 3hy1A1 TYR 401 HB3 -0.03 0.02 0.12 -0.04 2.98 3.04 3hy1A1 TYR 401 HD2 -0.12 0.06 0.01 -0.04 7.15 7.07 3hy1A1 TYR 401 HE2 -0.07 -0.02 -0.12 -0.04 6.85 6.59 3hy1A1 GLY 402 H 0.09 0.19 -0.37 -0.55 8.43 7.79 3hy1A1 GLY 402 HA2 0.06 0.12 0.23 -0.51 4.01 3.90 3hy1A1 GLY 402 HA3 0.23 0.02 0.34 -0.51 4.01 4.09 3hy1A1 PHE 403 H 0.57 0.63 -0.18 -0.55 8.34 8.81 3hy1A1 PHE 403 HA 0.21 0.13 0.54 -0.75 4.62 4.74 3hy1A1 PHE 403 HB2 0.20 -0.09 -0.35 -0.04 3.15 2.87 3hy1A1 PHE 403 HB3 0.15 -0.09 -0.21 -0.04 3.06 2.87 3hy1A1 PHE 403 HD2 0.23 0.01 -0.30 -0.04 7.28 7.17 3hy1A1 PHE 403 HE2 0.01 0.05 -0.15 -0.04 7.38 7.25 3hy1A1 PHE 403 HZ -0.09 0.15 0.02 -0.04 7.32 7.36 3hy1A1 PRO 404 HA 0.37 0.11 0.53 -0.51 4.44 4.94 3hy1A1 PRO 404 HB2 -0.02 -0.19 0.03 -0.04 2.28 2.06 3hy1A1 PRO 404 HB3 0.03 0.06 0.09 -0.04 2.02 2.16 3hy1A1 PRO 404 HG2 -0.17 0.02 0.12 -0.04 2.03 1.96 3hy1A1 PRO 404 HG3 -0.01 0.14 0.06 -0.04 2.03 2.18 3hy1A1 PRO 404 HD2 -0.11 -0.03 0.21 -0.04 3.68 3.71 3hy1A1 PRO 404 HD3 -0.07 0.59 0.39 -0.04 3.65 4.51 3hy1A1 VAL 405 H 0.02 0.20 0.13 -0.55 8.24 8.04 3hy1A1 VAL 405 HA -0.19 0.12 0.23 -0.75 4.13 3.53 3hy1A1 VAL 405 HB -1.16 0.08 0.09 -0.04 2.12 1.08 3hy1A1 VAL 405 HG13 -0.17 0.01 -0.01 -0.04 0.97 0.77 3hy1A1 VAL 405 HG23 -0.73 -0.00 -0.10 -0.04 0.95 0.08 3hy1A1 ASP 406 H -0.05 0.09 -0.31 -0.55 8.40 7.59 3hy1A1 ASP 406 HA -0.05 0.08 0.38 -0.75 4.63 4.29 3hy1A1 ASP 406 HB2 -0.01 0.06 -0.02 -0.04 2.71 2.70 3hy1A1 ASP 406 HB3 -0.03 0.01 0.02 -0.04 2.70 2.65 3hy1A1 LEU 407 H -0.00 0.33 -0.30 -0.55 8.37 7.85 3hy1A1 LEU 407 HA 0.00 0.09 0.51 -0.75 4.35 4.20 3hy1A1 LEU 407 HB2 -0.07 -0.04 0.08 -0.04 1.64 1.57 3hy1A1 LEU 407 HB3 -0.02 0.09 0.06 -0.04 1.64 1.74 3hy1A1 LEU 407 HG -0.07 -0.02 -0.00 -0.04 1.64 1.51 3hy1A1 LEU 407 HD13 -0.25 0.04 -0.17 -0.04 0.93 0.51 3hy1A1 LEU 407 HD23 -0.25 -0.01 -0.28 -0.04 0.89 0.32 3hy1A1 THR 408 H 0.10 0.40 -0.17 -0.55 8.28 8.06 3hy1A1 THR 408 HA 0.17 0.07 0.35 -0.75 4.39 4.23 3hy1A1 THR 408 HB 0.05 0.09 0.03 -0.04 4.32 4.46 3hy1A1 THR 408 HG23 0.09 -0.02 -0.14 -0.04 1.22 1.11 3hy1A1 ALA 409 H -0.00 0.46 -0.28 -0.55 8.40 8.03 3hy1A1 ALA 409 HA 0.00 0.00 0.34 -0.75 4.34 3.93 3hy1A1 ALA 409 HB3 -0.03 0.01 0.06 -0.04 1.41 1.41 3hy1A1 ASP 410 H 0.02 0.37 -0.38 -0.55 8.40 7.86 3hy1A1 ASP 410 HA 0.06 0.03 0.46 -0.75 4.63 4.42 3hy1A1 ASP 410 HB2 0.07 0.03 0.14 -0.04 2.71 2.91 3hy1A1 ASP 410 HB3 0.05 0.11 0.17 -0.04 2.70 2.99 3hy1A1 VAL 411 H 0.03 0.41 -0.23 -0.55 8.24 7.89 3hy1A1 VAL 411 HA -0.02 0.06 0.48 -0.75 4.13 3.90 3hy1A1 VAL 411 HB 0.05 0.08 0.12 -0.04 2.12 2.33 3hy1A1 VAL 411 HG13 0.02 -0.01 -0.10 -0.04 0.97 0.84 3hy1A1 VAL 411 HG23 0.01 0.07 -0.02 -0.04 0.95 0.97 3hy1A1 CYS 412 H 0.03 0.50 -0.06 -0.55 8.50 8.42 3hy1A1 CYS 412 HA 0.02 0.05 0.37 -0.75 4.58 4.26 3hy1A1 CYS 412 HB2 0.01 0.03 0.00 -0.04 2.97 2.98 3hy1A1 CYS 412 HB3 0.01 0.01 -0.15 -0.04 2.97 2.80 3hy1A1 ARG 413 H 0.02 0.45 -0.28 -0.55 8.46 8.09 3hy1A1 ARG 413 HA 0.00 0.04 0.40 -0.75 4.34 4.03 3hy1A1 ARG 413 HB2 0.01 0.22 0.20 -0.04 1.90 2.29 3hy1A1 ARG 413 HB3 0.07 0.10 0.06 -0.04 1.80 1.99 3hy1A1 ARG 413 HG2 -0.04 -0.04 0.01 -0.04 1.67 1.56 3hy1A1 ARG 413 HG3 -0.07 -0.06 0.03 -0.04 1.67 1.53 3hy1A1 ARG 413 HD2 -0.19 0.01 -0.05 -0.04 3.22 2.94 3hy1A1 ARG 413 HD3 -0.31 -0.05 -0.02 -0.04 3.22 2.80 3hy1A1 GLU 414 H 0.04 0.36 -0.42 -0.55 8.60 8.04 3hy1A1 GLU 414 HA 0.08 0.02 0.38 -0.75 4.29 4.02 3hy1A1 GLU 414 HB2 0.02 0.19 0.08 -0.04 2.09 2.33 3hy1A1 GLU 414 HB3 0.02 -0.07 0.13 -0.04 1.99 2.03 3hy1A1 GLU 414 HG2 0.08 -0.08 0.05 -0.04 2.34 2.34 3hy1A1 GLU 414 HG3 0.09 0.13 0.10 -0.04 2.34 2.62 3hy1A1 ARG 415 H 0.02 0.44 -0.57 -0.55 8.46 7.80 3hy1A1 ARG 415 HA 0.01 0.18 0.90 -0.75 4.34 4.67 3hy1A1 ARG 415 HB2 0.01 0.02 0.05 -0.04 1.90 1.94 3hy1A1 ARG 415 HB3 0.00 -0.03 0.15 -0.04 1.80 1.88 3hy1A1 ARG 415 HG2 0.00 0.04 -0.18 -0.04 1.67 1.49 3hy1A1 ARG 415 HG3 0.01 0.09 -0.12 -0.04 1.67 1.60 3hy1A1 ARG 415 HD2 0.00 -0.03 -0.03 -0.04 3.22 3.12 3hy1A1 ARG 415 HD3 -0.00 -0.01 -0.02 -0.04 3.22 3.15 3hy1A1 ASN 416 H 0.01 0.43 -0.15 -0.55 8.53 8.28 3hy1A1 ASN 416 HA -0.00 0.02 0.31 -0.75 4.76 4.33 3hy1A1 ASN 416 HB2 -0.00 0.22 0.09 -0.04 2.88 3.15 3hy1A1 ASN 416 HB3 -0.01 -0.09 0.23 -0.04 2.79 2.88 3hy1A1 ASN 416 HD21 -0.00 -0.03 -0.07 -0.04 7.03 6.89 3hy1A1 ASN 416 HD22 -0.00 0.05 -0.14 -0.04 7.74 7.60 3hy1A1 ILE 417 H 0.00 0.50 -0.13 -0.55 8.25 8.07 3hy1A1 ILE 417 HA 0.00 0.27 0.99 -0.75 4.18 4.69 3hy1A1 ILE 417 HB 0.01 -0.09 0.01 -0.04 1.89 1.77 3hy1A1 ILE 417 HG12 0.00 0.11 -0.39 -0.04 1.49 1.17 3hy1A1 ILE 417 HG13 0.01 -0.07 -0.09 -0.04 1.21 1.01 3hy1A1 ILE 417 HG23 0.01 0.00 -0.24 -0.04 0.93 0.66 3hy1A1 ILE 417 HD13 0.00 0.01 -0.11 -0.04 0.88 0.75 3hy1A1 LYS 418 H -0.00 0.69 0.33 -0.55 8.42 8.88 3hy1A1 LYS 418 HA -0.01 0.14 0.77 -0.75 4.32 4.47 3hy1A1 LYS 418 HB2 -0.00 -0.05 0.03 -0.04 1.87 1.81 3hy1A1 LYS 418 HB3 -0.01 -0.06 0.07 -0.04 1.79 1.75 3hy1A1 LYS 418 HG2 -0.02 -0.00 -0.02 -0.04 1.46 1.38 3hy1A1 LYS 418 HG3 -0.01 0.08 -0.10 -0.04 1.46 1.38 3hy1A1 LYS 418 HD2 -0.00 -0.05 -0.06 -0.04 1.69 1.54 3hy1A1 LYS 418 HD3 -0.01 -0.05 -0.03 -0.04 1.68 1.55 3hy1A1 LYS 418 HE2 -0.01 0.01 -0.04 -0.04 2.99 2.90 3hy1A1 LYS 418 HE3 -0.01 0.11 -0.03 -0.04 2.99 3.02 3hy1A1 VAL 419 H -0.01 0.21 0.14 -0.55 8.24 8.04 3hy1A1 VAL 419 HA 0.02 0.20 1.01 -0.75 4.13 4.60 3hy1A1 VAL 419 HB 0.01 0.03 -0.05 -0.04 2.12 2.07 3hy1A1 VAL 419 HG13 -0.00 0.04 -0.23 -0.04 0.97 0.74 3hy1A1 VAL 419 HG23 -0.04 -0.02 -0.21 -0.04 0.95 0.64 3hy1A1 ASP 420 H 0.04 0.88 0.11 -0.55 8.40 8.88 3hy1A1 ASP 420 HA 0.03 0.08 0.42 -0.75 4.63 4.41 3hy1A1 ASP 420 HB2 0.03 0.15 0.01 -0.04 2.71 2.85 3hy1A1 ASP 420 HB3 0.05 -0.11 0.26 -0.04 2.70 2.86 3hy1A1 GLU 421 H 0.03 0.34 0.35 -0.55 8.60 8.77 3hy1A1 GLU 421 HA 0.09 0.06 0.37 -0.75 4.29 4.05 3hy1A1 GLU 421 HB2 0.02 0.03 0.14 -0.04 2.09 2.24 3hy1A1 GLU 421 HB3 0.04 0.02 0.05 -0.04 1.99 2.05 3hy1A1 GLU 421 HG2 -0.05 -0.05 -0.02 -0.04 2.34 2.17 3hy1A1 GLU 421 HG3 -0.01 0.29 0.07 -0.04 2.34 2.65 3hy1A1 ALA 422 H 0.04 0.12 -0.08 -0.55 8.40 7.94 3hy1A1 ALA 422 HA 0.04 0.15 0.49 -0.75 4.34 4.27 3hy1A1 ALA 422 HB3 0.02 0.04 0.06 -0.04 1.41 1.48 3hy1A1 GLY 423 H 0.06 0.11 -0.26 -0.55 8.43 7.78 3hy1A1 GLY 423 HA2 0.01 0.13 0.46 -0.51 4.01 4.10 3hy1A1 GLY 423 HA3 0.05 -0.05 0.32 -0.51 4.01 3.82 3hy1A1 PHE 424 H 0.21 0.41 -0.06 -0.55 8.34 8.35 3hy1A1 PHE 424 HA 0.06 0.10 0.45 -0.75 4.62 4.48 3hy1A1 PHE 424 HB2 0.05 0.00 0.09 -0.04 3.15 3.26 3hy1A1 PHE 424 HB3 0.02 0.10 0.12 -0.04 3.06 3.27 3hy1A1 PHE 424 HD2 0.07 0.01 -0.19 -0.04 7.28 7.13 3hy1A1 PHE 424 HE2 -0.02 0.08 -0.09 -0.04 7.38 7.30 3hy1A1 PHE 424 HZ -0.55 0.02 -0.01 -0.04 7.32 6.75 3hy1A1 GLU 425 H 0.15 0.50 -0.23 -0.55 8.60 8.47 3hy1A1 GLU 425 HA -0.04 0.03 0.42 -0.75 4.29 3.94 3hy1A1 GLU 425 HB2 0.03 0.13 0.19 -0.04 2.09 2.40 3hy1A1 GLU 425 HB3 0.01 -0.01 0.01 -0.04 1.99 1.96 3hy1A1 GLU 425 HG2 0.08 -0.02 0.03 -0.04 2.34 2.39 3hy1A1 GLU 425 HG3 0.18 0.01 0.09 -0.04 2.34 2.58 3hy1A1 ALA 426 H -0.04 0.43 -0.17 -0.55 8.40 8.08 3hy1A1 ALA 426 HA -0.08 0.04 0.45 -0.75 4.34 4.00 3hy1A1 ALA 426 HB3 -0.05 0.02 0.12 -0.04 1.41 1.46 3hy1A1 ALA 427 H -0.20 0.66 -0.08 -0.55 8.40 8.24 3hy1A1 ALA 427 HA -0.39 0.02 0.41 -0.75 4.34 3.64 3hy1A1 ALA 427 HB3 -0.63 0.01 0.06 -0.04 1.41 0.81 3hy1A1 MET 428 H -0.40 0.55 -0.21 -0.55 8.47 7.87 3hy1A1 MET 428 HA -0.12 0.04 0.48 -0.75 4.52 4.17 3hy1A1 MET 428 HB2 -0.26 0.09 0.20 -0.04 2.15 2.14 3hy1A1 MET 428 HB3 -0.13 -0.04 0.01 -0.04 2.03 1.83 3hy1A1 MET 428 HG2 -0.51 -0.04 0.04 -0.04 2.63 2.08 3hy1A1 MET 428 HG3 -1.16 -0.04 -0.05 -0.04 2.56 1.27 3hy1A1 MET 428 HE3 0.25 0.00 0.04 -0.04 2.10 2.35 3hy1A1 GLU 429 H -0.15 0.62 -0.07 -0.55 8.60 8.45 3hy1A1 GLU 429 HA -0.05 0.02 0.52 -0.75 4.29 4.02 3hy1A1 GLU 429 HB2 -0.05 0.02 0.13 -0.04 2.09 2.15 3hy1A1 GLU 429 HB3 -0.07 0.09 0.17 -0.04 1.99 2.14 3hy1A1 GLU 429 HG2 -0.03 -0.01 -0.00 -0.04 2.34 2.26 3hy1A1 GLU 429 HG3 -0.04 -0.01 -0.13 -0.04 2.34 2.12 3hy1A1 GLU 430 H -0.16 0.54 -0.19 -0.55 8.60 8.24 3hy1A1 GLU 430 HA -0.07 0.02 0.47 -0.75 4.29 3.96 3hy1A1 GLU 430 HB2 -0.20 0.11 0.17 -0.04 2.09 2.13 3hy1A1 GLU 430 HB3 -0.11 -0.04 0.04 -0.04 1.99 1.83 3hy1A1 GLU 430 HG2 -0.07 -0.04 0.03 -0.04 2.34 2.22 3hy1A1 GLU 430 HG3 -0.09 0.02 0.04 -0.04 2.34 2.27 3hy1A1 GLN 431 H -0.13 0.37 -0.34 -0.55 8.47 7.83 3hy1A1 GLN 431 HA -0.00 0.08 0.68 -0.75 4.36 4.37 3hy1A1 GLN 431 HB2 0.06 0.07 0.13 -0.04 2.15 2.36 3hy1A1 GLN 431 HB3 0.10 0.11 0.11 -0.04 2.02 2.30 3hy1A1 GLN 431 HG2 0.09 -0.04 -0.01 -0.04 2.40 2.39 3hy1A1 GLN 431 HG3 0.12 -0.02 0.07 -0.04 2.39 2.52 3hy1A1 GLN 431 HE21 0.11 0.02 -0.00 -0.04 6.97 7.06 3hy1A1 GLN 431 HE22 0.16 -0.01 -0.00 -0.04 7.69 7.80 3hy1A1 ARG 432 H -0.02 0.41 -0.05 -0.55 8.46 8.25 3hy1A1 ARG 432 HA 0.01 0.06 0.52 -0.75 4.34 4.18 3hy1A1 ARG 432 HB2 -0.02 0.11 0.17 -0.04 1.90 2.13 3hy1A1 ARG 432 HB3 -0.00 -0.02 0.06 -0.04 1.80 1.79 3hy1A1 ARG 432 HG2 0.02 -0.03 0.05 -0.04 1.67 1.67 3hy1A1 ARG 432 HG3 0.00 0.28 0.12 -0.04 1.67 2.03 3hy1A1 ARG 432 HD2 -0.01 -0.01 0.01 -0.04 3.22 3.17 3hy1A1 ARG 432 HD3 0.00 -0.01 0.01 -0.04 3.22 3.18 3hy1A1 ARG 433 H -0.02 0.41 -0.29 -0.55 8.46 8.01 3hy1A1 ARG 433 HA -0.01 0.08 0.55 -0.75 4.34 4.20 3hy1A1 ARG 433 HB2 -0.03 0.10 0.12 -0.04 1.90 2.04 3hy1A1 ARG 433 HB3 -0.02 -0.03 0.03 -0.04 1.80 1.74 3hy1A1 ARG 433 HG2 -0.02 -0.03 0.01 -0.04 1.67 1.59 3hy1A1 ARG 433 HG3 -0.02 0.08 0.04 -0.04 1.67 1.73 3hy1A1 ARG 433 HD2 -0.04 0.01 -0.10 -0.04 3.22 3.05 3hy1A1 ARG 433 HD3 -0.02 -0.02 -0.02 -0.04 3.22 3.12 3hy1A1 ARG 434 H -0.01 0.31 -0.24 -0.55 8.46 7.97 3hy1A1 ARG 434 HA -0.01 0.05 0.61 -0.75 4.34 4.23 3hy1A1 ARG 434 HB2 0.01 0.09 0.23 -0.04 1.90 2.18 3hy1A1 ARG 434 HB3 0.01 -0.03 0.04 -0.04 1.80 1.77 3hy1A1 ARG 434 HG2 -0.01 -0.06 0.07 -0.04 1.67 1.63 3hy1A1 ARG 434 HG3 -0.02 0.33 0.17 -0.04 1.67 2.11 3hy1A1 ARG 434 HD2 0.00 -0.02 0.02 -0.04 3.22 3.18 3hy1A1 ARG 434 HD3 -0.01 -0.04 0.01 -0.04 3.22 3.14 3hy1A1 ALA 435 H 0.01 0.55 -0.17 -0.55 8.40 8.23 3hy1A1 ALA 435 HA 0.01 0.03 0.48 -0.75 4.34 4.10 3hy1A1 ALA 435 HB3 0.01 0.02 0.10 -0.04 1.41 1.51 3hy1A1 ARG 436 H -0.00 0.30 -0.36 -0.55 8.46 7.84 3hy1A1 ARG 436 HA 0.00 0.07 0.44 -0.75 4.34 4.10 3hy1A1 ARG 436 HB2 -0.00 0.19 0.17 -0.04 1.90 2.22 3hy1A1 ARG 436 HB3 -0.00 0.03 0.07 -0.04 1.80 1.86 3hy1A1 ARG 436 HG2 -0.00 0.01 -0.07 -0.04 1.67 1.57 3hy1A1 ARG 436 HG3 -0.00 -0.01 0.02 -0.04 1.67 1.64 3hy1A1 ARG 436 HD2 -0.00 -0.02 -0.03 -0.04 3.22 3.13 3hy1A1 ARG 436 HD3 -0.00 -0.03 -0.02 -0.04 3.22 3.13 3hy1A1 GLU 437 H -0.00 0.47 -0.20 -0.55 8.60 8.32 3hy1A1 GLU 437 HA -0.00 0.06 0.43 -0.75 4.29 4.02 3hy1A1 GLU 437 HB2 -0.01 0.04 0.14 -0.04 2.09 2.23 3hy1A1 GLU 437 HB3 -0.00 0.03 0.21 -0.04 1.99 2.18 3hy1A1 GLU 437 HG2 -0.00 -0.00 -0.23 -0.04 2.34 2.06 3hy1A1 GLU 437 HG3 -0.00 -0.02 0.02 -0.04 2.34 2.30 3hy1A1 ALA 438 H 0.00 0.60 -0.07 -0.55 8.40 8.39 3hy1A1 ALA 438 HA -0.00 0.01 0.42 -0.75 4.34 4.01 3hy1A1 ALA 438 HB3 0.00 -0.00 0.10 -0.04 1.41 1.47 3hy1A1 SER 439 H 0.00 0.34 -0.52 -0.55 8.46 7.73 3hy1A1 SER 439 HA 0.00 0.06 0.57 -0.75 4.49 4.37 3hy1A1 SER 439 HB2 0.00 -0.08 0.09 -0.04 3.95 3.92 3hy1A1 SER 439 HB3 0.00 0.20 0.16 -0.04 3.93 4.25 3hy1A1 GLY 440 H -0.00 0.32 -0.81 -0.55 8.43 7.39 3hy1A1 GLY 440 HA2 -0.00 -0.02 0.15 -0.51 4.01 3.63 3hy1A1 GLY 440 HA3 -0.00 0.07 0.29 -0.51 4.01 3.86