============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 16 1.000 15.247 58.396 17.268 -99.200 -91.000 TRP 20 1.040 21.794 58.597 2.879 -99.200 -91.000 TRP6 20 1.020 23.979 57.982 2.211 -99.200 -91.000 TRP 24 1.040 11.783 59.381 -8.500 -99.200 -91.000 TRP6 24 1.020 9.855 60.590 -7.851 -99.200 -91.000 PHE 34 1.000 13.157 57.915 9.882 -99.200 -91.000 TRP 42 1.040 9.269 55.461 7.555 -99.200 -91.000 TRP6 42 1.020 7.517 53.885 7.332 -99.200 -91.000 PHE 43 1.000 2.083 55.090 10.993 -99.200 -91.000 TYR 49 0.840 7.020 66.221 6.314 -99.200 -91.000 HIS 56 0.900 2.568 77.946 3.334 -99.200 -91.000 PHE 62 1.000 5.901 62.533 2.745 -99.200 -91.000 TRP 73 1.040 19.594 47.048 6.181 -99.200 -91.000 TRP6 73 1.020 21.812 46.495 5.567 -99.200 -91.000 TRP 77 1.040 14.712 54.331 1.570 -99.200 -91.000 TRP6 77 1.020 15.605 55.061 -0.499 -99.200 -91.000 TYR 82 0.840 19.683 68.591 -2.629 -99.200 -91.000 HIS 83 0.900 14.180 73.054 -0.764 -99.200 -91.000 HIS 85 0.900 21.362 78.371 -0.854 -99.200 -91.000 PHE 89 1.000 24.473 75.396 12.747 -99.200 -91.000 TYR 91 0.840 21.284 81.463 3.116 -99.200 -91.000 TYR 95 0.840 25.935 81.620 1.398 -99.200 -91.000 HIS 115 0.900 -0.158 75.600 5.789 -99.200 -91.000 HIS 117 0.900 2.049 77.592 15.612 -99.200 -91.000 HIS 131 0.900 9.070 71.566 14.093 -99.200 -91.000 HIS 158 0.900 -6.819 71.901 19.156 -99.200 -91.000 TYR 173 0.840 17.116 76.510 18.750 -99.200 -91.000 HIS 187 0.900 -4.544 75.667 26.433 -99.200 -91.000 PHE 188 1.000 -2.496 72.550 18.806 -99.200 -91.000 PHE 191 1.000 2.236 70.420 23.497 -99.200 -91.000 TYR 197 0.840 12.118 80.420 24.377 -99.200 -91.000 PHE 203 1.000 11.426 85.675 13.184 -99.200 -91.000 TRP 204 1.040 19.946 86.941 19.346 -99.200 -91.000 TRP6 204 1.020 21.746 85.414 19.492 -99.200 -91.000 HIS 216 0.900 29.120 90.719 8.863 -99.200 -91.000 TYR 219 0.840 25.116 80.474 13.593 -99.200 -91.000 TYR 223 0.840 19.128 81.283 25.703 -99.200 -91.000 TYR 224 0.840 27.333 83.938 21.855 -99.200 -91.000 TRP 253 1.040 21.028 93.505 15.827 -99.200 -91.000 TRP6 253 1.020 20.126 91.534 16.768 -99.200 -91.000 TRP 270 1.040 13.240 85.306 22.663 -99.200 -91.000 TRP6 270 1.020 15.006 86.828 22.283 -99.200 -91.000 TYR 271 0.840 6.512 89.457 26.413 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hmmA1 ILE 1 HA -0.38 0.01 0.06 -0.75 4.18 3.12 3hmmA1 ILE 1 HB -0.14 -0.12 0.02 -0.04 1.89 1.61 3hmmA1 ILE 1 HG12 0.08 0.07 -0.02 -0.04 1.49 1.58 3hmmA1 ILE 1 HG13 -0.05 -0.18 -0.13 -0.04 1.21 0.81 3hmmA1 ILE 1 HG23 -0.04 0.03 0.00 -0.04 0.93 0.89 3hmmA1 ILE 1 HD13 -0.01 0.02 -0.02 -0.04 0.88 0.83 3hmmA1 ALA 2 H -0.26 0.14 -0.03 -0.55 8.40 7.71 3hmmA1 ALA 2 HA -0.36 0.07 0.24 -0.75 4.34 3.53 3hmmA1 ALA 2 HB3 -0.92 0.02 -0.09 -0.04 1.41 0.38 3hmmA1 ARG 3 H -0.25 0.04 -0.40 -0.55 8.46 7.30 3hmmA1 ARG 3 HA -0.25 0.05 0.36 -0.75 4.34 3.74 3hmmA1 ARG 3 HB2 -0.15 -0.04 0.07 -0.04 1.90 1.74 3hmmA1 ARG 3 HB3 -0.09 0.02 -0.03 -0.04 1.80 1.66 3hmmA1 ARG 3 HG2 -0.06 -0.01 -0.03 -0.04 1.67 1.52 3hmmA1 ARG 3 HG3 -0.06 0.05 -0.19 -0.04 1.67 1.42 3hmmA1 ARG 3 HD2 -0.14 -0.04 0.05 -0.04 3.22 3.05 3hmmA1 ARG 3 HD3 -0.08 -0.01 0.02 -0.04 3.22 3.11 3hmmA1 THR 4 H -0.08 0.44 -0.33 -0.55 8.28 7.77 3hmmA1 THR 4 HA 0.01 0.24 0.98 -0.75 4.39 4.85 3hmmA1 THR 4 HB 0.15 -0.08 0.17 -0.04 4.32 4.52 3hmmA1 THR 4 HG23 0.04 -0.02 -0.14 -0.04 1.22 1.07 3hmmA1 ILE 5 H -0.07 0.33 -0.22 -0.55 8.25 7.75 3hmmA1 ILE 5 HA 0.15 0.28 0.86 -0.75 4.18 4.72 3hmmA1 ILE 5 HB 0.29 0.01 -0.01 -0.04 1.89 2.14 3hmmA1 ILE 5 HG12 -0.06 -0.02 -0.24 -0.04 1.49 1.13 3hmmA1 ILE 5 HG13 -0.30 0.23 -0.26 -0.04 1.21 0.84 3hmmA1 ILE 5 HG23 0.20 -0.04 -0.40 -0.04 0.93 0.65 3hmmA1 ILE 5 HD13 -0.22 -0.04 -0.32 -0.04 0.88 0.26 3hmmA1 VAL 6 H 0.10 0.49 0.27 -0.55 8.24 8.56 3hmmA1 VAL 6 HA 0.05 0.17 0.93 -0.75 4.13 4.53 3hmmA1 VAL 6 HB 0.04 -0.06 0.15 -0.04 2.12 2.21 3hmmA1 VAL 6 HG13 0.01 0.03 -0.12 -0.04 0.97 0.85 3hmmA1 VAL 6 HG23 0.03 0.03 -0.15 -0.04 0.95 0.82 3hmmA1 LEU 7 H -0.03 0.18 0.07 -0.55 8.37 8.04 3hmmA1 LEU 7 HA -0.03 0.01 0.44 -0.75 4.35 4.01 3hmmA1 LEU 7 HB2 -0.39 0.03 0.02 -0.04 1.64 1.26 3hmmA1 LEU 7 HB3 -0.49 -0.03 -0.10 -0.04 1.64 0.98 3hmmA1 LEU 7 HG -0.16 0.05 -0.05 -0.04 1.64 1.44 3hmmA1 LEU 7 HD13 -1.14 -0.00 -0.09 -0.04 0.93 -0.34 3hmmA1 LEU 7 HD23 -0.57 -0.01 -0.19 -0.04 0.89 0.08 3hmmA1 GLN 8 H 0.13 0.45 0.37 -0.55 8.47 8.88 3hmmA1 GLN 8 HA 0.08 0.21 1.03 -0.75 4.36 4.93 3hmmA1 GLN 8 HB2 0.03 0.09 0.10 -0.04 2.15 2.34 3hmmA1 GLN 8 HB3 0.04 -0.04 0.02 -0.04 2.02 2.00 3hmmA1 GLN 8 HG2 0.03 -0.00 -0.17 -0.04 2.40 2.21 3hmmA1 GLN 8 HG3 0.03 0.06 -0.15 -0.04 2.39 2.28 3hmmA1 GLN 8 HE21 -0.05 -0.01 -0.32 -0.04 6.97 6.55 3hmmA1 GLN 8 HE22 -0.03 -0.07 -0.57 -0.04 7.69 6.98 3hmmA1 GLU 9 H 0.27 0.21 0.30 -0.55 8.60 8.83 3hmmA1 GLU 9 HA 0.17 0.12 0.72 -0.75 4.29 4.55 3hmmA1 GLU 9 HB2 0.05 0.13 -0.12 -0.04 2.09 2.12 3hmmA1 GLU 9 HB3 0.04 -0.05 -0.01 -0.04 1.99 1.92 3hmmA1 GLU 9 HG2 -0.03 0.03 -0.49 -0.04 2.34 1.80 3hmmA1 GLU 9 HG3 -0.01 0.00 0.03 -0.04 2.34 2.32 3hmmA1 SER 10 H -0.21 0.18 0.16 -0.55 8.46 8.05 3hmmA1 SER 10 HA -1.29 0.10 0.70 -0.75 4.49 3.25 3hmmA1 SER 10 HB2 -1.27 -0.00 0.11 -0.04 3.95 2.75 3hmmA1 SER 10 HB3 -0.42 0.02 0.19 -0.04 3.93 3.68 3hmmA1 ILE 11 H -0.37 0.62 0.39 -0.55 8.25 8.34 3hmmA1 ILE 11 HA -0.10 0.26 1.04 -0.75 4.18 4.62 3hmmA1 ILE 11 HB 0.04 0.00 0.11 -0.04 1.89 2.00 3hmmA1 ILE 11 HG12 -0.04 -0.02 -0.39 -0.04 1.49 1.00 3hmmA1 ILE 11 HG13 -0.01 -0.01 -0.38 -0.04 1.21 0.76 3hmmA1 ILE 11 HG23 0.04 0.03 -0.25 -0.04 0.93 0.70 3hmmA1 ILE 11 HD13 0.19 -0.01 -0.20 -0.04 0.88 0.83 3hmmA1 GLY 12 H -0.27 0.17 0.15 -0.55 8.43 7.94 3hmmA1 GLY 12 HA2 -0.10 0.05 0.32 -0.51 4.01 3.77 3hmmA1 GLY 12 HA3 -0.07 0.19 0.73 -0.51 4.01 4.34 3hmmA1 LYS 13 H -0.08 0.27 0.20 -0.55 8.42 8.25 3hmmA1 LYS 13 HA -0.11 0.08 1.09 -0.75 4.32 4.63 3hmmA1 LYS 13 HB2 -0.08 -0.07 0.07 -0.04 1.87 1.74 3hmmA1 LYS 13 HB3 -0.08 0.16 -0.05 -0.04 1.79 1.78 3hmmA1 LYS 13 HG2 -0.11 -0.05 -0.02 -0.04 1.46 1.24 3hmmA1 LYS 13 HG3 -0.08 -0.02 -0.03 -0.04 1.46 1.28 3hmmA1 LYS 13 HD2 -0.08 0.43 0.03 -0.04 1.69 2.03 3hmmA1 LYS 13 HD3 -0.06 -0.14 -0.12 -0.04 1.68 1.33 3hmmA1 LYS 13 HE2 -0.06 -0.08 -0.05 -0.04 2.99 2.76 3hmmA1 LYS 13 HE3 -0.08 0.13 -0.09 -0.04 2.99 2.90 3hmmA1 GLY 14 H -0.08 0.56 0.08 -0.55 8.43 8.44 3hmmA1 GLY 14 HA2 -0.01 0.13 0.67 -0.51 4.01 4.29 3hmmA1 GLY 14 HA3 -0.01 0.01 0.26 -0.51 4.01 3.77 3hmmA1 ARG 15 H 0.05 0.10 0.11 -0.55 8.46 8.16 3hmmA1 ARG 15 HA -0.12 0.08 0.36 -0.75 4.34 3.90 3hmmA1 ARG 15 HB2 0.05 0.01 0.11 -0.04 1.90 2.03 3hmmA1 ARG 15 HB3 0.18 -0.07 0.08 -0.04 1.80 1.95 3hmmA1 ARG 15 HG2 -0.28 -0.01 -0.17 -0.04 1.67 1.16 3hmmA1 ARG 15 HG3 -0.11 0.03 0.02 -0.04 1.67 1.57 3hmmA1 ARG 15 HD2 0.22 0.03 -0.06 -0.04 3.22 3.37 3hmmA1 ARG 15 HD3 0.10 0.04 -0.04 -0.04 3.22 3.28 3hmmA1 PHE 16 H 0.18 0.13 -0.21 -0.55 8.34 7.88 3hmmA1 PHE 16 HA 0.04 0.17 0.68 -0.75 4.62 4.75 3hmmA1 PHE 16 HB2 0.35 -0.05 -0.02 -0.04 3.15 3.39 3hmmA1 PHE 16 HB3 0.26 -0.07 0.01 -0.04 3.06 3.22 3hmmA1 PHE 16 HD2 0.13 -0.07 -0.06 -0.04 7.28 7.23 3hmmA1 PHE 16 HE2 0.07 0.01 -0.03 -0.04 7.38 7.39 3hmmA1 PHE 16 HZ 0.06 0.02 -0.02 -0.04 7.32 7.34 3hmmA1 GLY 17 H 0.06 0.08 0.09 -0.55 8.43 8.12 3hmmA1 GLY 17 HA2 -0.15 0.08 0.53 -0.51 4.01 3.96 3hmmA1 GLY 17 HA3 -0.69 0.10 0.46 -0.51 4.01 3.37 3hmmA1 GLU 18 H -0.07 0.43 0.36 -0.55 8.60 8.77 3hmmA1 GLU 18 HA -0.11 0.17 1.14 -0.75 4.29 4.74 3hmmA1 GLU 18 HB2 -0.00 -0.03 0.05 -0.04 2.09 2.07 3hmmA1 GLU 18 HB3 0.21 -0.05 0.14 -0.04 1.99 2.26 3hmmA1 GLU 18 HG2 -0.66 0.06 -0.14 -0.04 2.34 1.55 3hmmA1 GLU 18 HG3 -0.29 0.12 0.15 -0.04 2.34 2.28 3hmmA1 VAL 19 H -0.18 0.86 0.36 -0.55 8.24 8.74 3hmmA1 VAL 19 HA -0.00 0.29 1.05 -0.75 4.13 4.71 3hmmA1 VAL 19 HB -0.08 -0.04 -0.13 -0.04 2.12 1.83 3hmmA1 VAL 19 HG13 0.03 0.00 -0.18 -0.04 0.97 0.79 3hmmA1 VAL 19 HG23 -0.03 -0.02 -0.26 -0.04 0.95 0.61 3hmmA1 TRP 20 H 0.15 0.78 0.47 -0.55 7.97 8.82 3hmmA1 TRP 20 HA -0.06 0.15 1.17 -0.75 4.62 5.13 3hmmA1 TRP 20 HB2 -0.22 -0.01 0.01 -0.04 3.23 2.97 3hmmA1 TRP 20 HB3 -0.12 -0.04 -0.06 -0.04 3.23 2.98 3hmmA1 TRP 20 HD1 -0.21 0.16 -0.22 -0.04 7.22 6.90 3hmmA1 TRP 20 HE1 -0.09 -0.03 -0.11 -0.04 10.20 9.93 3hmmA1 TRP 20 HE3 -0.05 -0.05 -0.38 -0.04 7.59 7.07 3hmmA1 TRP 20 HZ2 -0.00 -0.00 -0.06 -0.04 7.44 7.33 3hmmA1 TRP 20 HZ3 -0.01 0.06 -0.25 -0.04 7.13 6.89 3hmmA1 TRP 20 HH2 0.01 0.03 -0.07 -0.04 7.19 7.11 3hmmA1 ARG 21 H 0.17 0.70 0.36 -0.55 8.46 9.14 3hmmA1 ARG 21 HA -0.09 0.21 0.93 -0.75 4.34 4.64 3hmmA1 ARG 21 HB2 -0.05 0.01 0.05 -0.04 1.90 1.87 3hmmA1 ARG 21 HB3 -0.03 -0.07 0.25 -0.04 1.80 1.91 3hmmA1 ARG 21 HG2 -0.28 0.02 -0.15 -0.04 1.67 1.22 3hmmA1 ARG 21 HG3 -1.02 0.02 0.01 -0.04 1.67 0.64 3hmmA1 ARG 21 HD2 -0.36 -0.00 -0.05 -0.04 3.22 2.76 3hmmA1 ARG 21 HD3 -0.18 0.01 -0.05 -0.04 3.22 2.97 3hmmA1 GLY 22 H -0.03 0.67 0.24 -0.55 8.43 8.76 3hmmA1 GLY 22 HA2 0.02 0.17 1.04 -0.51 4.01 4.73 3hmmA1 GLY 22 HA3 0.02 -0.03 0.13 -0.51 4.01 3.61 3hmmA1 LYS 23 H 0.06 0.49 0.24 -0.55 8.42 8.65 3hmmA1 LYS 23 HA 0.07 0.38 0.88 -0.75 4.32 4.89 3hmmA1 LYS 23 HB2 0.04 0.06 0.01 -0.04 1.87 1.93 3hmmA1 LYS 23 HB3 0.06 -0.13 -0.06 -0.04 1.79 1.62 3hmmA1 LYS 23 HG2 0.03 0.02 -0.61 -0.04 1.46 0.86 3hmmA1 LYS 23 HG3 -0.00 0.01 -0.28 -0.04 1.46 1.15 3hmmA1 LYS 23 HD2 0.01 -0.01 -0.09 -0.04 1.69 1.57 3hmmA1 LYS 23 HD3 0.02 -0.10 -0.07 -0.04 1.68 1.49 3hmmA1 LYS 23 HE2 0.01 -0.05 -0.03 -0.04 2.99 2.88 3hmmA1 LYS 23 HE3 0.01 0.34 0.01 -0.04 2.99 3.31 3hmmA1 TRP 24 H 0.24 0.97 0.10 -0.55 7.97 8.73 3hmmA1 TRP 24 HA 0.02 0.22 0.84 -0.75 4.62 4.95 3hmmA1 TRP 24 HB2 0.03 -0.05 -0.17 -0.04 3.23 3.00 3hmmA1 TRP 24 HB3 0.01 0.02 0.05 -0.04 3.23 3.27 3hmmA1 TRP 24 HD1 0.01 0.03 -0.12 -0.04 7.22 7.09 3hmmA1 TRP 24 HE1 -0.01 0.00 -0.08 -0.04 10.20 10.08 3hmmA1 TRP 24 HE3 0.00 -0.02 -0.12 -0.04 7.59 7.41 3hmmA1 TRP 24 HZ2 -0.01 0.01 -0.05 -0.04 7.44 7.34 3hmmA1 TRP 24 HZ3 -0.01 -0.02 -0.09 -0.04 7.13 6.97 3hmmA1 TRP 24 HH2 -0.01 -0.01 -0.06 -0.04 7.19 7.07 3hmmA1 ARG 25 H 0.17 0.32 0.05 -0.55 8.46 8.44 3hmmA1 ARG 25 HA -0.02 0.06 0.31 -0.75 4.34 3.93 3hmmA1 ARG 25 HB2 -0.38 -0.01 -0.26 -0.04 1.90 1.21 3hmmA1 ARG 25 HB3 -0.31 0.12 0.22 -0.04 1.80 1.79 3hmmA1 ARG 25 HG2 -0.22 0.00 0.04 -0.04 1.67 1.45 3hmmA1 ARG 25 HG3 -0.12 -0.01 0.14 -0.04 1.67 1.63 3hmmA1 ARG 25 HD2 -0.05 0.02 0.03 -0.04 3.22 3.17 3hmmA1 ARG 25 HD3 -0.07 -0.01 0.02 -0.04 3.22 3.12 3hmmA1 GLY 26 H 0.04 0.08 -0.34 -0.55 8.43 7.67 3hmmA1 GLY 26 HA2 0.01 -0.00 0.24 -0.51 4.01 3.75 3hmmA1 GLY 26 HA3 -0.01 0.17 0.57 -0.51 4.01 4.22 3hmmA1 GLU 27 H -0.01 0.40 -0.73 -0.55 8.60 7.72 3hmmA1 GLU 27 HA 0.01 0.07 0.58 -0.75 4.29 4.19 3hmmA1 GLU 27 HB2 -0.05 0.02 0.03 -0.04 2.09 2.05 3hmmA1 GLU 27 HB3 0.01 0.11 0.05 -0.04 1.99 2.13 3hmmA1 GLU 27 HG2 0.07 0.20 -0.15 -0.04 2.34 2.42 3hmmA1 GLU 27 HG3 0.02 -0.07 0.07 -0.04 2.34 2.33 3hmmA1 GLU 28 H 0.03 0.10 0.19 -0.55 8.60 8.38 3hmmA1 GLU 28 HA -0.03 0.29 0.72 -0.75 4.29 4.52 3hmmA1 GLU 28 HB2 0.06 -0.07 0.13 -0.04 2.09 2.16 3hmmA1 GLU 28 HB3 -0.38 0.02 0.04 -0.04 1.99 1.62 3hmmA1 GLU 28 HG2 -0.09 0.06 -0.03 -0.04 2.34 2.23 3hmmA1 GLU 28 HG3 -0.01 -0.01 0.09 -0.04 2.34 2.37 3hmmA1 VAL 29 H -0.02 0.71 0.34 -0.55 8.24 8.72 3hmmA1 VAL 29 HA 0.13 0.08 0.71 -0.75 4.13 4.30 3hmmA1 VAL 29 HB 0.08 0.13 0.06 -0.04 2.12 2.35 3hmmA1 VAL 29 HG13 0.30 -0.00 -0.31 -0.04 0.97 0.92 3hmmA1 VAL 29 HG23 0.09 -0.02 -0.36 -0.04 0.95 0.61 3hmmA1 ALA 30 H 0.08 0.67 0.08 -0.55 8.40 8.69 3hmmA1 ALA 30 HA 0.10 0.28 1.03 -0.75 4.34 5.00 3hmmA1 ALA 30 HB3 0.14 -0.03 -0.02 -0.04 1.41 1.46 3hmmA1 VAL 31 H 0.04 0.58 0.33 -0.55 8.24 8.64 3hmmA1 VAL 31 HA -0.07 0.35 1.11 -0.75 4.13 4.77 3hmmA1 VAL 31 HB -0.26 -0.09 0.01 -0.04 2.12 1.74 3hmmA1 VAL 31 HG13 -1.06 0.01 -0.21 -0.04 0.97 -0.34 3hmmA1 VAL 31 HG23 -0.11 0.01 -0.37 -0.04 0.95 0.44 3hmmA1 LYS 32 H 0.01 0.69 0.34 -0.55 8.42 8.91 3hmmA1 LYS 32 HA -0.03 0.30 0.95 -0.75 4.32 4.79 3hmmA1 LYS 32 HB2 0.06 -0.03 -0.07 -0.04 1.87 1.79 3hmmA1 LYS 32 HB3 0.21 -0.04 0.12 -0.04 1.79 2.04 3hmmA1 LYS 32 HG2 -0.40 -0.01 -0.20 -0.04 1.46 0.81 3hmmA1 LYS 32 HG3 -0.18 0.03 -0.25 -0.04 1.46 1.02 3hmmA1 LYS 32 HD2 -0.02 0.05 -0.08 -0.04 1.69 1.60 3hmmA1 LYS 32 HD3 0.04 -0.02 -0.13 -0.04 1.68 1.53 3hmmA1 LYS 32 HE2 0.22 0.01 -0.07 -0.04 2.99 3.11 3hmmA1 LYS 32 HE3 0.46 0.02 -0.06 -0.04 2.99 3.37 3hmmA1 ILE 33 H -0.07 0.68 0.31 -0.55 8.25 8.62 3hmmA1 ILE 33 HA -0.01 0.32 1.10 -0.75 4.18 4.84 3hmmA1 ILE 33 HB 0.01 -0.05 0.14 -0.04 1.89 1.94 3hmmA1 ILE 33 HG12 -1.35 0.02 -0.24 -0.04 1.49 -0.12 3hmmA1 ILE 33 HG13 -0.45 0.02 -0.26 -0.04 1.21 0.48 3hmmA1 ILE 33 HG23 0.10 -0.01 -0.14 -0.04 0.93 0.84 3hmmA1 ILE 33 HD13 -0.70 -0.00 -0.11 -0.04 0.88 0.02 3hmmA1 PHE 34 H 0.38 0.80 0.40 -0.55 8.34 9.36 3hmmA1 PHE 34 HA 0.13 0.07 0.91 -0.75 4.62 4.97 3hmmA1 PHE 34 HB2 0.02 0.03 0.04 -0.04 3.15 3.20 3hmmA1 PHE 34 HB3 0.11 -0.04 0.02 -0.04 3.06 3.12 3hmmA1 PHE 34 HD2 0.27 0.10 -0.09 -0.04 7.28 7.51 3hmmA1 PHE 34 HE2 0.29 -0.01 -0.16 -0.04 7.38 7.46 3hmmA1 PHE 34 HZ 0.21 -0.03 -0.12 -0.04 7.32 7.34 3hmmA1 SER 35 H 0.22 0.09 0.18 -0.55 8.46 8.41 3hmmA1 SER 35 HA 0.12 0.27 0.76 -0.75 4.49 4.90 3hmmA1 SER 35 HB2 0.00 0.05 0.18 -0.04 3.95 4.14 3hmmA1 SER 35 HB3 0.06 0.08 0.11 -0.04 3.93 4.14 3hmmA1 SER 36 H 0.06 0.24 0.22 -0.55 8.46 8.43 3hmmA1 SER 36 HA -0.02 0.11 0.35 -0.75 4.49 4.17 3hmmA1 SER 36 HB2 0.01 0.05 0.10 -0.04 3.95 4.07 3hmmA1 SER 36 HB3 0.05 0.05 0.20 -0.04 3.93 4.19 3hmmA1 ARG 37 H 0.03 0.07 -0.23 -0.55 8.46 7.77 3hmmA1 ARG 37 HA 0.01 0.19 0.63 -0.75 4.34 4.42 3hmmA1 ARG 37 HB2 0.01 0.07 0.16 -0.04 1.90 2.10 3hmmA1 ARG 37 HB3 0.01 0.02 0.08 -0.04 1.80 1.88 3hmmA1 ARG 37 HG2 0.03 -0.11 0.02 -0.04 1.67 1.56 3hmmA1 ARG 37 HG3 0.05 0.02 -0.19 -0.04 1.67 1.51 3hmmA1 ARG 37 HD2 0.03 0.05 0.01 -0.04 3.22 3.26 3hmmA1 ARG 37 HD3 0.01 0.02 0.02 -0.04 3.22 3.23 3hmmA1 GLU 38 H 0.06 0.51 -0.48 -0.55 8.60 8.15 3hmmA1 GLU 38 HA -0.06 0.21 0.80 -0.75 4.29 4.48 3hmmA1 GLU 38 HB2 0.28 0.01 0.12 -0.04 2.09 2.46 3hmmA1 GLU 38 HB3 0.22 -0.01 0.16 -0.04 1.99 2.32 3hmmA1 GLU 38 HG2 0.07 0.13 -0.04 -0.04 2.34 2.46 3hmmA1 GLU 38 HG3 0.10 -0.10 -0.23 -0.04 2.34 2.07 3hmmA1 GLU 39 H 0.03 0.34 -0.31 -0.55 8.60 8.12 3hmmA1 GLU 39 HA 0.16 0.04 0.32 -0.75 4.29 4.06 3hmmA1 GLU 39 HB2 0.02 0.17 0.14 -0.04 2.09 2.37 3hmmA1 GLU 39 HB3 0.06 0.02 0.06 -0.04 1.99 2.08 3hmmA1 GLU 39 HG2 0.28 -0.02 -0.17 -0.04 2.34 2.39 3hmmA1 GLU 39 HG3 0.24 -0.03 0.03 -0.04 2.34 2.54 3hmmA1 ARG 40 H 0.03 0.16 -0.21 -0.55 8.46 7.89 3hmmA1 ARG 40 HA 0.10 0.10 0.42 -0.75 4.34 4.20 3hmmA1 ARG 40 HB2 -0.03 0.01 0.03 -0.04 1.90 1.87 3hmmA1 ARG 40 HB3 0.01 0.07 0.02 -0.04 1.80 1.86 3hmmA1 ARG 40 HG2 -0.01 -0.01 0.03 -0.04 1.67 1.64 3hmmA1 ARG 40 HG3 -0.01 0.07 0.02 -0.04 1.67 1.70 3hmmA1 ARG 40 HD2 0.01 -0.12 -0.15 -0.04 3.22 2.92 3hmmA1 ARG 40 HD3 -0.03 0.05 -0.02 -0.04 3.22 3.17 3hmmA1 SER 41 H -0.05 0.13 -0.27 -0.55 8.46 7.73 3hmmA1 SER 41 HA -0.02 0.14 0.41 -0.75 4.49 4.27 3hmmA1 SER 41 HB2 -0.03 0.07 0.09 -0.04 3.95 4.04 3hmmA1 SER 41 HB3 0.13 -0.01 -0.03 -0.04 3.93 3.99 3hmmA1 TRP 42 H -0.07 0.45 -0.12 -0.55 7.97 7.68 3hmmA1 TRP 42 HA -1.07 0.02 0.36 -0.75 4.62 3.18 3hmmA1 TRP 42 HB2 -1.07 -0.04 0.00 -0.04 3.23 2.08 3hmmA1 TRP 42 HB3 -0.27 0.05 0.13 -0.04 3.23 3.10 3hmmA1 TRP 42 HD1 -0.06 0.01 -0.24 -0.04 7.22 6.89 3hmmA1 TRP 42 HE1 0.17 0.36 -0.14 -0.04 10.20 10.55 3hmmA1 TRP 42 HE3 0.06 0.12 0.03 -0.04 7.59 7.76 3hmmA1 TRP 42 HZ2 0.10 -0.02 -0.09 -0.04 7.44 7.38 3hmmA1 TRP 42 HZ3 0.16 0.00 -0.05 -0.04 7.13 7.20 3hmmA1 TRP 42 HH2 0.11 0.00 -0.10 -0.04 7.19 7.15 3hmmA1 PHE 43 H 0.29 0.78 -0.06 -0.55 8.34 8.79 3hmmA1 PHE 43 HA -0.88 -0.00 0.35 -0.75 4.62 3.34 3hmmA1 PHE 43 HB2 0.10 -0.02 0.08 -0.04 3.15 3.28 3hmmA1 PHE 43 HB3 -0.03 0.05 0.14 -0.04 3.06 3.18 3hmmA1 PHE 43 HD2 -0.11 0.01 -0.12 -0.04 7.28 7.02 3hmmA1 PHE 43 HE2 -0.06 0.01 -0.05 -0.04 7.38 7.24 3hmmA1 PHE 43 HZ -0.05 0.02 -0.04 -0.04 7.32 7.21 3hmmA1 ARG 44 H 0.02 0.60 -0.15 -0.55 8.46 8.38 3hmmA1 ARG 44 HA -0.14 0.01 0.39 -0.75 4.34 3.85 3hmmA1 ARG 44 HB2 0.04 -0.02 0.14 -0.04 1.90 2.02 3hmmA1 ARG 44 HB3 -0.03 0.04 0.18 -0.04 1.80 1.95 3hmmA1 ARG 44 HG2 -0.02 0.03 0.03 -0.04 1.67 1.66 3hmmA1 ARG 44 HG3 -0.07 0.06 -0.16 -0.04 1.67 1.47 3hmmA1 ARG 44 HD2 -0.09 -0.10 0.09 -0.04 3.22 3.08 3hmmA1 ARG 44 HD3 -0.00 -0.05 0.02 -0.04 3.22 3.14 3hmmA1 GLU 45 H -0.17 0.51 -0.19 -0.55 8.60 8.20 3hmmA1 GLU 45 HA -0.09 0.06 0.36 -0.75 4.29 3.87 3hmmA1 GLU 45 HB2 0.05 0.02 0.12 -0.04 2.09 2.24 3hmmA1 GLU 45 HB3 -0.05 0.10 0.10 -0.04 1.99 2.10 3hmmA1 GLU 45 HG2 0.26 0.04 -0.16 -0.04 2.34 2.44 3hmmA1 GLU 45 HG3 0.18 -0.08 -0.10 -0.04 2.34 2.30 3hmmA1 ALA 46 H -0.51 0.60 -0.12 -0.55 8.40 7.82 3hmmA1 ALA 46 HA -0.43 -0.04 0.34 -0.75 4.34 3.46 3hmmA1 ALA 46 HB3 -0.71 0.01 0.07 -0.04 1.41 0.74 3hmmA1 GLU 47 H -0.59 0.57 -0.29 -0.55 8.60 7.74 3hmmA1 GLU 47 HA -0.40 -0.01 0.35 -0.75 4.29 3.47 3hmmA1 GLU 47 HB2 -0.79 -0.02 0.07 -0.04 2.09 1.32 3hmmA1 GLU 47 HB3 -0.35 0.19 0.18 -0.04 1.99 1.97 3hmmA1 GLU 47 HG2 -0.17 0.02 -0.24 -0.04 2.34 1.90 3hmmA1 GLU 47 HG3 -0.21 -0.04 -0.02 -0.04 2.34 2.02 3hmmA1 ILE 48 H -0.25 0.51 -0.11 -0.55 8.25 7.85 3hmmA1 ILE 48 HA -0.19 0.02 0.35 -0.75 4.18 3.60 3hmmA1 ILE 48 HB -0.25 -0.01 0.09 -0.04 1.89 1.69 3hmmA1 ILE 48 HG12 -0.16 0.20 0.06 -0.04 1.49 1.54 3hmmA1 ILE 48 HG13 -0.16 0.11 -0.02 -0.04 1.21 1.10 3hmmA1 ILE 48 HG23 -0.29 -0.01 -0.13 -0.04 0.93 0.46 3hmmA1 ILE 48 HD13 -0.12 -0.02 -0.14 -0.04 0.88 0.55 3hmmA1 TYR 49 H -0.22 0.54 -0.15 -0.55 8.29 7.90 3hmmA1 TYR 49 HA -0.22 0.05 0.37 -0.75 4.56 4.01 3hmmA1 TYR 49 HB2 -1.07 0.08 0.07 -0.04 3.06 2.11 3hmmA1 TYR 49 HB3 -1.22 -0.05 -0.02 -0.04 2.98 1.65 3hmmA1 TYR 49 HD2 -0.11 0.14 -0.02 -0.04 7.15 7.13 3hmmA1 TYR 49 HE2 0.07 -0.00 -0.02 -0.04 6.85 6.86 3hmmA1 GLN 50 H -0.28 0.39 -0.47 -0.55 8.47 7.57 3hmmA1 GLN 50 HA -0.06 0.09 0.68 -0.75 4.36 4.32 3hmmA1 GLN 50 HB2 -0.18 0.09 0.08 -0.04 2.15 2.11 3hmmA1 GLN 50 HB3 -0.06 -0.10 0.13 -0.04 2.02 1.95 3hmmA1 GLN 50 HG2 0.04 -0.04 -0.06 -0.04 2.40 2.30 3hmmA1 GLN 50 HG3 -0.33 0.11 -0.05 -0.04 2.39 2.08 3hmmA1 GLN 50 HE21 -0.07 -0.08 -0.04 -0.04 6.97 6.74 3hmmA1 GLN 50 HE22 -0.08 -0.01 -0.04 -0.04 7.69 7.51 3hmmA1 THR 51 H -0.12 0.40 -0.48 -0.55 8.28 7.53 3hmmA1 THR 51 HA -0.07 -0.06 0.42 -0.75 4.39 3.93 3hmmA1 THR 51 HB -0.07 0.00 0.06 -0.04 4.32 4.27 3hmmA1 THR 51 HG23 -0.05 0.05 -0.04 -0.04 1.22 1.13 3hmmA1 VAL 52 H -0.02 0.06 0.20 -0.55 8.24 7.92 3hmmA1 VAL 52 HA 0.02 -0.01 0.39 -0.75 4.13 3.77 3hmmA1 VAL 52 HB -0.00 -0.03 0.13 -0.04 2.12 2.18 3hmmA1 VAL 52 HG13 -0.01 -0.02 0.06 -0.04 0.97 0.96 3hmmA1 VAL 52 HG23 0.01 -0.03 -0.21 -0.04 0.95 0.68 3hmmA1 MET 53 H 0.04 0.06 0.15 -0.55 8.47 8.18 3hmmA1 MET 53 HA 0.08 -0.06 0.32 -0.75 4.52 4.10 3hmmA1 MET 53 HB2 0.04 0.19 -0.32 -0.04 2.15 2.02 3hmmA1 MET 53 HB3 0.09 -0.01 0.18 -0.04 2.03 2.24 3hmmA1 MET 53 HG2 0.03 -0.13 -0.15 -0.04 2.63 2.34 3hmmA1 MET 53 HG3 0.04 0.26 -0.03 -0.04 2.56 2.78 3hmmA1 MET 53 HE3 0.06 0.00 0.02 -0.04 2.10 2.15 3hmmA1 LEU 54 H 0.07 0.26 -0.29 -0.55 8.37 7.87 3hmmA1 LEU 54 HA 0.16 0.16 0.45 -0.75 4.35 4.36 3hmmA1 LEU 54 HB2 0.01 0.08 -0.05 -0.04 1.64 1.64 3hmmA1 LEU 54 HB3 0.07 0.02 0.05 -0.04 1.64 1.74 3hmmA1 LEU 54 HG 0.09 -0.11 -0.21 -0.04 1.64 1.37 3hmmA1 LEU 54 HD13 -0.03 -0.01 -0.02 -0.04 0.93 0.83 3hmmA1 LEU 54 HD23 -0.13 0.07 0.01 -0.04 0.89 0.80 3hmmA1 ARG 55 H 0.12 -0.01 -0.08 -0.55 8.46 7.95 3hmmA1 ARG 55 HA 0.15 0.01 0.32 -0.75 4.34 4.06 3hmmA1 ARG 55 HB2 0.08 -0.03 0.04 -0.04 1.90 1.95 3hmmA1 ARG 55 HB3 0.08 -0.03 -0.04 -0.04 1.80 1.77 3hmmA1 ARG 55 HG2 0.15 0.01 0.07 -0.04 1.67 1.86 3hmmA1 ARG 55 HG3 0.12 0.01 0.08 -0.04 1.67 1.85 3hmmA1 ARG 55 HD2 0.12 0.06 0.03 -0.04 3.22 3.39 3hmmA1 ARG 55 HD3 0.08 -0.04 0.01 -0.04 3.22 3.24 3hmmA1 HIS 56 H 0.11 0.29 0.21 -0.55 8.41 8.48 3hmmA1 HIS 56 HA -0.15 0.07 0.58 -0.75 4.63 4.38 3hmmA1 HIS 56 HB2 -0.91 0.34 -0.23 -0.04 3.26 2.42 3hmmA1 HIS 56 HB3 -0.18 -0.04 -0.02 -0.04 3.20 2.91 3hmmA1 HIS 56 HD2 -0.50 0.11 0.04 -0.04 6.97 6.57 3hmmA1 HIS 56 HE1 -0.04 0.01 -0.11 -0.04 7.75 7.56 3hmmA1 GLU 57 H -0.57 0.19 0.13 -0.55 8.60 7.80 3hmmA1 GLU 57 HA -0.02 0.09 0.38 -0.75 4.29 3.98 3hmmA1 GLU 57 HB2 -0.06 0.00 0.08 -0.04 2.09 2.07 3hmmA1 GLU 57 HB3 -0.13 0.01 0.11 -0.04 1.99 1.94 3hmmA1 GLU 57 HG2 -0.52 -0.04 0.09 -0.04 2.34 1.83 3hmmA1 GLU 57 HG3 -0.08 0.05 -0.13 -0.04 2.34 2.15 3hmmA1 ASN 58 H 0.65 0.03 -0.45 -0.55 8.53 8.22 3hmmA1 ASN 58 HA 0.07 0.36 0.95 -0.75 4.76 5.39 3hmmA1 ASN 58 HB2 0.17 -0.04 0.01 -0.04 2.88 2.99 3hmmA1 ASN 58 HB3 0.07 0.03 0.24 -0.04 2.79 3.09 3hmmA1 ASN 58 HD21 0.02 -0.12 -0.05 -0.04 7.03 6.84 3hmmA1 ASN 58 HD22 0.02 0.51 0.05 -0.04 7.74 8.28 3hmmA1 ILE 59 H 0.16 0.61 -0.25 -0.55 8.25 8.22 3hmmA1 ILE 59 HA 0.12 0.06 0.94 -0.75 4.18 4.54 3hmmA1 ILE 59 HB 0.17 -0.02 0.09 -0.04 1.89 2.08 3hmmA1 ILE 59 HG12 0.11 -0.18 -0.25 -0.04 1.49 1.12 3hmmA1 ILE 59 HG13 0.22 0.17 -0.04 -0.04 1.21 1.52 3hmmA1 ILE 59 HG23 0.14 0.06 -0.08 -0.04 0.93 1.01 3hmmA1 ILE 59 HD13 0.06 0.05 0.04 -0.04 0.88 0.99 3hmmA1 LEU 60 H 0.20 0.69 0.09 -0.55 8.37 8.80 3hmmA1 LEU 60 HA 0.21 -0.05 0.25 -0.75 4.35 4.02 3hmmA1 LEU 60 HB2 0.22 -0.01 -0.14 -0.04 1.64 1.67 3hmmA1 LEU 60 HB3 0.37 -0.02 0.06 -0.04 1.64 2.02 3hmmA1 LEU 60 HG 0.15 0.04 -0.43 -0.04 1.64 1.36 3hmmA1 LEU 60 HD13 0.22 0.01 -0.08 -0.04 0.93 1.04 3hmmA1 LEU 60 HD23 0.13 -0.03 -0.11 -0.04 0.89 0.84 3hmmA1 GLY 61 H 0.21 0.04 0.15 -0.55 8.43 8.29 3hmmA1 GLY 61 HA2 0.19 0.13 0.51 -0.51 4.01 4.33 3hmmA1 GLY 61 HA3 0.14 -0.02 0.36 -0.51 4.01 3.99 3hmmA1 PHE 62 H 0.32 0.23 0.23 -0.55 8.34 8.56 3hmmA1 PHE 62 HA -0.12 0.01 0.58 -0.75 4.62 4.34 3hmmA1 PHE 62 HB2 -0.02 0.03 0.07 -0.04 3.15 3.19 3hmmA1 PHE 62 HB3 0.09 0.08 0.09 -0.04 3.06 3.28 3hmmA1 PHE 62 HD2 -0.30 0.01 -0.18 -0.04 7.28 6.77 3hmmA1 PHE 62 HE2 -0.09 -0.03 -0.12 -0.04 7.38 7.09 3hmmA1 PHE 62 HZ -0.09 -0.06 -0.28 -0.04 7.32 6.86 3hmmA1 ILE 63 H -0.65 0.60 0.45 -0.55 8.25 8.10 3hmmA1 ILE 63 HA -0.12 0.18 0.87 -0.75 4.18 4.35 3hmmA1 ILE 63 HB -0.28 -0.01 -0.15 -0.04 1.89 1.40 3hmmA1 ILE 63 HG12 0.07 0.04 -0.16 -0.04 1.49 1.40 3hmmA1 ILE 63 HG13 -0.04 -0.04 -0.27 -0.04 1.21 0.82 3hmmA1 ILE 63 HG23 -0.20 -0.01 -0.18 -0.04 0.93 0.50 3hmmA1 ILE 63 HD13 0.15 0.00 -0.23 -0.04 0.88 0.75 3hmmA1 ALA 64 H -0.94 0.30 0.32 -0.55 8.40 7.54 3hmmA1 ALA 64 HA -0.35 0.10 0.41 -0.75 4.34 3.75 3hmmA1 ALA 64 HB3 -0.16 0.08 -0.05 -0.04 1.41 1.24 3hmmA1 ALA 65 H 0.11 0.27 0.23 -0.55 8.40 8.47 3hmmA1 ALA 65 HA 0.33 0.31 1.01 -0.75 4.34 5.24 3hmmA1 ALA 65 HB3 0.12 -0.00 0.09 -0.04 1.41 1.58 3hmmA1 ASP 66 H 0.53 0.61 0.35 -0.55 8.40 9.35 3hmmA1 ASP 66 HA 0.17 0.12 0.59 -0.75 4.63 4.76 3hmmA1 ASP 66 HB2 0.02 0.05 -0.43 -0.04 2.71 2.31 3hmmA1 ASP 66 HB3 -0.05 -0.05 -0.13 -0.04 2.70 2.43 3hmmA1 ASN 67 H -0.05 0.24 0.23 -0.55 8.53 8.40 3hmmA1 ASN 67 HA -0.16 0.25 1.01 -0.75 4.76 5.11 3hmmA1 ASN 67 HB2 -0.07 -0.00 0.10 -0.04 2.88 2.86 3hmmA1 ASN 67 HB3 -0.12 -0.02 -0.01 -0.04 2.79 2.59 3hmmA1 ASN 67 HD21 -0.11 0.01 -0.06 -0.04 7.03 6.83 3hmmA1 ASN 67 HD22 -0.09 -0.02 -0.05 -0.04 7.74 7.54 3hmmA1 LYS 68 H -0.22 0.55 0.25 -0.55 8.42 8.44 3hmmA1 LYS 68 HA -0.34 0.14 0.72 -0.75 4.32 4.09 3hmmA1 LYS 68 HB2 -1.13 -0.01 -0.25 -0.04 1.87 0.43 3hmmA1 LYS 68 HB3 -0.58 -0.07 0.06 -0.04 1.79 1.16 3hmmA1 LYS 68 HG2 -0.35 -0.03 -0.26 -0.04 1.46 0.78 3hmmA1 LYS 68 HG3 -0.44 0.04 -0.07 -0.04 1.46 0.95 3hmmA1 LYS 68 HD2 -1.29 -0.01 -0.21 -0.04 1.69 0.14 3hmmA1 LYS 68 HD3 -0.84 -0.08 -0.11 -0.04 1.68 0.61 3hmmA1 LYS 68 HE2 -0.22 -0.08 -0.07 -0.04 2.99 2.58 3hmmA1 LYS 68 HE3 -0.33 0.01 -0.06 -0.04 2.99 2.57 3hmmA1 ASP 69 H -0.20 0.24 0.09 -0.55 8.40 7.99 3hmmA1 ASP 69 HA -0.18 0.15 0.86 -0.75 4.63 4.71 3hmmA1 ASP 69 HB2 -0.11 0.00 0.03 -0.04 2.71 2.59 3hmmA1 ASP 69 HB3 -0.13 0.07 0.13 -0.04 2.70 2.73 3hmmA1 ASN 70 H -0.39 0.44 0.30 -0.55 8.53 8.33 3hmmA1 ASN 70 HA -0.25 0.25 0.72 -0.75 4.76 4.72 3hmmA1 ASN 70 HB2 -0.39 0.06 0.17 -0.04 2.88 2.67 3hmmA1 ASN 70 HB3 -0.43 0.04 0.05 -0.04 2.79 2.41 3hmmA1 ASN 70 HD21 -3.77 -0.04 -0.00 -0.04 7.03 3.18 3hmmA1 ASN 70 HD22 -1.00 0.06 0.00 -0.04 7.74 6.76 3hmmA1 GLY 71 H -0.20 0.04 -0.29 -0.55 8.43 7.44 3hmmA1 GLY 71 HA2 -0.10 0.04 0.25 -0.51 4.01 3.69 3hmmA1 GLY 71 HA3 -0.12 0.26 0.81 -0.51 4.01 4.44 3hmmA1 THR 72 H -0.29 -0.08 -0.12 -0.55 8.28 7.24 3hmmA1 THR 72 HA 0.03 0.28 0.98 -0.75 4.39 4.93 3hmmA1 THR 72 HB -0.04 -0.07 0.04 -0.04 4.32 4.20 3hmmA1 THR 72 HG23 0.36 0.00 -0.10 -0.04 1.22 1.44 3hmmA1 TRP 73 H -0.40 0.06 0.20 -0.55 7.97 7.28 3hmmA1 TRP 73 HA -0.01 0.23 0.76 -0.75 4.62 4.84 3hmmA1 TRP 73 HB2 -0.00 -0.03 0.16 -0.04 3.23 3.32 3hmmA1 TRP 73 HB3 0.00 0.09 -0.11 -0.04 3.23 3.17 3hmmA1 TRP 73 HD1 0.02 0.17 -0.37 -0.04 7.22 6.99 3hmmA1 TRP 73 HE1 0.04 0.02 -0.11 -0.04 10.20 10.10 3hmmA1 TRP 73 HE3 0.00 -0.01 -0.13 -0.04 7.59 7.41 3hmmA1 TRP 73 HZ2 0.02 0.03 -0.04 -0.04 7.44 7.40 3hmmA1 TRP 73 HZ3 0.01 0.05 -0.04 -0.04 7.13 7.11 3hmmA1 TRP 73 HH2 0.01 0.04 -0.03 -0.04 7.19 7.18 3hmmA1 THR 74 H 0.23 0.17 0.19 -0.55 8.28 8.32 3hmmA1 THR 74 HA -0.05 0.20 0.97 -0.75 4.39 4.75 3hmmA1 THR 74 HB 0.03 -0.04 0.11 -0.04 4.32 4.38 3hmmA1 THR 74 HG23 -0.08 -0.00 -0.23 -0.04 1.22 0.87 3hmmA1 GLN 75 H -0.01 0.69 0.36 -0.55 8.47 8.96 3hmmA1 GLN 75 HA 0.25 0.20 0.94 -0.75 4.36 5.00 3hmmA1 GLN 75 HB2 0.34 0.00 0.11 -0.04 2.15 2.56 3hmmA1 GLN 75 HB3 0.50 0.01 -0.01 -0.04 2.02 2.49 3hmmA1 GLN 75 HG2 0.49 -0.01 -0.10 -0.04 2.40 2.74 3hmmA1 GLN 75 HG3 0.04 -0.00 -0.07 -0.04 2.39 2.32 3hmmA1 GLN 75 HE21 0.13 0.02 -0.06 -0.04 6.97 7.02 3hmmA1 GLN 75 HE22 0.45 -0.03 -0.07 -0.04 7.69 8.00 3hmmA1 LEU 76 H 0.11 0.63 0.25 -0.55 8.37 8.81 3hmmA1 LEU 76 HA -0.40 0.18 0.93 -0.75 4.35 4.30 3hmmA1 LEU 76 HB2 -0.36 -0.10 0.06 -0.04 1.64 1.21 3hmmA1 LEU 76 HB3 -2.39 0.06 -0.01 -0.04 1.64 -0.75 3hmmA1 LEU 76 HG -0.27 -0.03 -0.33 -0.04 1.64 0.96 3hmmA1 LEU 76 HD13 -0.38 0.02 -0.14 -0.04 0.93 0.38 3hmmA1 LEU 76 HD23 -0.86 0.03 -0.12 -0.04 0.89 -0.10 3hmmA1 TRP 77 H 0.33 0.67 0.30 -0.55 7.97 8.73 3hmmA1 TRP 77 HA 0.25 0.31 1.06 -0.75 4.62 5.49 3hmmA1 TRP 77 HB2 0.06 -0.05 -0.07 -0.04 3.23 3.13 3hmmA1 TRP 77 HB3 0.06 0.05 -0.19 -0.04 3.23 3.11 3hmmA1 TRP 77 HD1 -0.01 -0.18 -0.74 -0.04 7.22 6.24 3hmmA1 TRP 77 HE1 -0.07 -0.02 -0.14 -0.04 10.20 9.93 3hmmA1 TRP 77 HE3 -0.10 -0.01 -0.20 -0.04 7.59 7.25 3hmmA1 TRP 77 HZ2 -0.18 -0.01 -0.10 -0.04 7.44 7.11 3hmmA1 TRP 77 HZ3 -0.13 -0.01 -0.16 -0.04 7.13 6.79 3hmmA1 TRP 77 HH2 -0.15 0.09 -0.14 -0.04 7.19 6.95 3hmmA1 LEU 78 H 0.32 0.55 0.40 -0.55 8.37 9.10 3hmmA1 LEU 78 HA 0.30 0.25 0.95 -0.75 4.35 5.09 3hmmA1 LEU 78 HB2 0.34 -0.08 0.15 -0.04 1.64 2.00 3hmmA1 LEU 78 HB3 0.28 0.03 0.04 -0.04 1.64 1.95 3hmmA1 LEU 78 HG 0.68 -0.03 -0.21 -0.04 1.64 2.04 3hmmA1 LEU 78 HD13 0.27 -0.00 -0.06 -0.04 0.93 1.09 3hmmA1 LEU 78 HD23 0.04 0.06 0.06 -0.04 0.89 1.01 3hmmA1 VAL 79 H -0.17 0.61 0.36 -0.55 8.24 8.50 3hmmA1 VAL 79 HA -0.04 0.33 1.14 -0.75 4.13 4.82 3hmmA1 VAL 79 HB -0.26 -0.10 0.06 -0.04 2.12 1.77 3hmmA1 VAL 79 HG13 -0.16 0.03 -0.12 -0.04 0.97 0.69 3hmmA1 VAL 79 HG23 0.05 -0.00 -0.28 -0.04 0.95 0.68 3hmmA1 SER 80 H -0.03 0.66 0.34 -0.55 8.46 8.89 3hmmA1 SER 80 HA -0.10 0.10 0.92 -0.75 4.49 4.66 3hmmA1 SER 80 HB2 0.03 0.09 0.02 -0.04 3.95 4.04 3hmmA1 SER 80 HB3 -0.04 -0.09 -0.26 -0.04 3.93 3.50 3hmmA1 ASP 81 H 0.04 0.48 0.24 -0.55 8.40 8.62 3hmmA1 ASP 81 HA 0.03 0.09 0.46 -0.75 4.63 4.46 3hmmA1 ASP 81 HB2 -0.00 -0.10 0.05 -0.04 2.71 2.61 3hmmA1 ASP 81 HB3 -0.20 0.04 0.01 -0.04 2.70 2.52 3hmmA1 TYR 82 H -0.01 0.26 0.18 -0.55 8.29 8.17 3hmmA1 TYR 82 HA -0.10 0.14 0.76 -0.75 4.56 4.60 3hmmA1 TYR 82 HB2 -0.02 -0.09 -0.45 -0.04 3.06 2.46 3hmmA1 TYR 82 HB3 -0.05 0.11 -0.14 -0.04 2.98 2.86 3hmmA1 TYR 82 HD2 -0.00 -0.00 -0.16 -0.04 7.15 6.94 3hmmA1 TYR 82 HE2 0.01 0.01 -0.11 -0.04 6.85 6.72 3hmmA1 HIS 83 H -0.51 0.24 0.00 -0.55 8.41 7.59 3hmmA1 HIS 83 HA -0.27 0.13 0.90 -0.75 4.63 4.63 3hmmA1 HIS 83 HB2 -0.13 -0.01 0.04 -0.04 3.26 3.12 3hmmA1 HIS 83 HB3 -0.10 0.17 -0.03 -0.04 3.20 3.20 3hmmA1 HIS 83 HD2 0.00 0.01 -0.24 -0.04 6.97 6.70 3hmmA1 HIS 83 HE1 0.01 0.02 -0.08 -0.04 7.75 7.66 3hmmA1 GLU 84 H -0.29 0.18 0.06 -0.55 8.60 8.00 3hmmA1 GLU 84 HA -0.28 0.07 0.26 -0.75 4.29 3.59 3hmmA1 GLU 84 HB2 -0.03 -0.01 0.10 -0.04 2.09 2.11 3hmmA1 GLU 84 HB3 -0.19 0.02 0.01 -0.04 1.99 1.78 3hmmA1 GLU 84 HG2 0.04 0.05 -0.03 -0.04 2.34 2.36 3hmmA1 GLU 84 HG3 0.16 -0.01 0.03 -0.04 2.34 2.48 3hmmA1 HIS 85 H -0.08 0.05 -0.28 -0.55 8.41 7.55 3hmmA1 HIS 85 HA 0.13 0.07 0.41 -0.75 4.63 4.48 3hmmA1 HIS 85 HB2 0.00 0.31 0.04 -0.04 3.26 3.58 3hmmA1 HIS 85 HB3 0.17 -0.02 -0.05 -0.04 3.20 3.26 3hmmA1 HIS 85 HD2 -0.05 0.11 -0.46 -0.04 6.97 6.52 3hmmA1 HIS 85 HE1 0.07 0.00 -0.05 -0.04 7.75 7.73 3hmmA1 GLY 86 H 0.03 0.29 -0.23 -0.55 8.43 7.97 3hmmA1 GLY 86 HA2 0.04 0.00 0.30 -0.51 4.01 3.85 3hmmA1 GLY 86 HA3 0.08 0.10 0.57 -0.51 4.01 4.24 3hmmA1 SER 87 H 0.08 0.10 0.19 -0.55 8.46 8.29 3hmmA1 SER 87 HA 0.06 0.21 0.52 -0.75 4.49 4.53 3hmmA1 SER 87 HB2 0.11 0.05 0.28 -0.04 3.95 4.35 3hmmA1 SER 87 HB3 0.08 0.14 0.20 -0.04 3.93 4.30 3hmmA1 LEU 88 H 0.07 0.74 0.38 -0.55 8.37 9.01 3hmmA1 LEU 88 HA 0.05 0.06 0.36 -0.75 4.35 4.07 3hmmA1 LEU 88 HB2 0.02 -0.00 -0.04 -0.04 1.64 1.58 3hmmA1 LEU 88 HB3 0.10 0.07 0.21 -0.04 1.64 1.99 3hmmA1 LEU 88 HG 0.13 -0.01 -0.15 -0.04 1.64 1.57 3hmmA1 LEU 88 HD13 0.00 0.00 -0.08 -0.04 0.93 0.82 3hmmA1 LEU 88 HD23 0.09 -0.01 -0.08 -0.04 0.89 0.84 3hmmA1 PHE 89 H 0.22 0.36 -0.14 -0.55 8.34 8.22 3hmmA1 PHE 89 HA -0.04 0.07 0.27 -0.75 4.62 4.17 3hmmA1 PHE 89 HB2 0.05 -0.14 -0.26 -0.04 3.15 2.76 3hmmA1 PHE 89 HB3 -0.00 -0.03 -0.01 -0.04 3.06 2.97 3hmmA1 PHE 89 HD2 0.07 -0.03 -0.13 -0.04 7.28 7.15 3hmmA1 PHE 89 HE2 0.13 0.02 -0.08 -0.04 7.38 7.40 3hmmA1 PHE 89 HZ 0.05 0.03 -0.06 -0.04 7.32 7.30 3hmmA1 ASP 90 H 0.17 0.06 -0.27 -0.55 8.40 7.81 3hmmA1 ASP 90 HA -0.18 0.04 0.38 -0.75 4.63 4.12 3hmmA1 ASP 90 HB2 0.09 0.14 0.12 -0.04 2.71 3.03 3hmmA1 ASP 90 HB3 0.02 0.07 0.00 -0.04 2.70 2.76 3hmmA1 TYR 91 H 0.14 0.45 -0.25 -0.55 8.29 8.08 3hmmA1 TYR 91 HA 0.02 0.02 0.37 -0.75 4.56 4.21 3hmmA1 TYR 91 HB2 -0.01 0.11 0.02 -0.04 3.06 3.14 3hmmA1 TYR 91 HB3 -0.03 0.05 0.10 -0.04 2.98 3.06 3hmmA1 TYR 91 HD2 -0.14 0.03 -0.15 -0.04 7.15 6.85 3hmmA1 TYR 91 HE2 -0.61 -0.02 -0.12 -0.04 6.85 6.06 3hmmA1 LEU 92 H 0.02 0.66 -0.08 -0.55 8.37 8.42 3hmmA1 LEU 92 HA -0.03 0.10 0.42 -0.75 4.35 4.09 3hmmA1 LEU 92 HB2 -0.09 0.02 0.03 -0.04 1.64 1.55 3hmmA1 LEU 92 HB3 0.17 0.03 0.01 -0.04 1.64 1.81 3hmmA1 LEU 92 HG 0.15 0.07 -0.01 -0.04 1.64 1.81 3hmmA1 LEU 92 HD13 0.20 -0.01 -0.25 -0.04 0.93 0.83 3hmmA1 LEU 92 HD23 0.10 -0.00 -0.06 -0.04 0.89 0.89 3hmmA1 ASN 93 H -0.44 0.30 -0.40 -0.55 8.53 7.45 3hmmA1 ASN 93 HA -0.34 0.01 0.58 -0.75 4.76 4.26 3hmmA1 ASN 93 HB2 -0.56 0.12 0.18 -0.04 2.88 2.58 3hmmA1 ASN 93 HB3 -0.36 -0.06 -0.02 -0.04 2.79 2.31 3hmmA1 ASN 93 HD21 -2.51 -0.14 -0.10 -0.04 7.03 4.24 3hmmA1 ASN 93 HD22 -1.76 0.63 0.03 -0.04 7.74 6.60 3hmmA1 ARG 94 H -0.35 0.35 -0.12 -0.55 8.46 7.78 3hmmA1 ARG 94 HA -0.33 0.07 0.67 -0.75 4.34 4.00 3hmmA1 ARG 94 HB2 -0.40 -0.05 0.07 -0.04 1.90 1.48 3hmmA1 ARG 94 HB3 -0.82 0.06 0.14 -0.04 1.80 1.14 3hmmA1 ARG 94 HG2 -1.54 -0.01 -0.17 -0.04 1.67 -0.09 3hmmA1 ARG 94 HG3 -0.48 -0.04 0.07 -0.04 1.67 1.18 3hmmA1 ARG 94 HD2 -0.27 -0.03 -0.01 -0.04 3.22 2.87 3hmmA1 ARG 94 HD3 -0.54 0.01 -0.03 -0.04 3.22 2.62 3hmmA1 TYR 95 H -0.33 0.57 0.06 -0.55 8.29 8.04 3hmmA1 TYR 95 HA -0.21 0.17 1.04 -0.75 4.56 4.81 3hmmA1 TYR 95 HB2 -0.63 0.00 -0.07 -0.04 3.06 2.31 3hmmA1 TYR 95 HB3 -0.32 -0.02 0.14 -0.04 2.98 2.74 3hmmA1 TYR 95 HD2 -0.78 0.05 0.00 -0.04 7.15 6.38 3hmmA1 TYR 95 HE2 -0.14 -0.03 -0.03 -0.04 6.85 6.61 3hmmA1 THR 96 H -0.07 0.13 0.22 -0.55 8.28 8.02 3hmmA1 THR 96 HA -0.16 0.27 0.87 -0.75 4.39 4.61 3hmmA1 THR 96 HB -0.36 0.07 0.12 -0.04 4.32 4.11 3hmmA1 THR 96 HG23 -0.62 0.01 -0.12 -0.04 1.22 0.45 3hmmA1 VAL 97 H -0.11 0.78 0.27 -0.55 8.24 8.63 3hmmA1 VAL 97 HA -0.08 0.18 1.05 -0.75 4.13 4.53 3hmmA1 VAL 97 HB -0.04 -0.16 -0.05 -0.04 2.12 1.82 3hmmA1 VAL 97 HG13 0.05 0.03 -0.28 -0.04 0.97 0.73 3hmmA1 VAL 97 HG23 -0.08 0.01 -0.27 -0.04 0.95 0.57 3hmmA1 THR 98 H -0.06 0.08 0.18 -0.55 8.28 7.93 3hmmA1 THR 98 HA -0.06 0.33 0.66 -0.75 4.39 4.57 3hmmA1 THR 98 HB -0.05 -0.04 0.22 -0.04 4.32 4.41 3hmmA1 THR 98 HG23 -0.05 0.06 0.07 -0.04 1.22 1.26 3hmmA1 VAL 99 H -0.06 0.22 0.17 -0.55 8.24 8.02 3hmmA1 VAL 99 HA -0.10 0.12 0.38 -0.75 4.13 3.78 3hmmA1 VAL 99 HB -0.05 -0.01 0.15 -0.04 2.12 2.17 3hmmA1 VAL 99 HG13 -0.07 0.01 -0.08 -0.04 0.97 0.79 3hmmA1 VAL 99 HG23 -0.06 0.03 0.06 -0.04 0.95 0.94 3hmmA1 GLU 100 H -0.06 0.10 -0.06 -0.55 8.60 8.03 3hmmA1 GLU 100 HA -0.06 0.15 0.40 -0.75 4.29 4.02 3hmmA1 GLU 100 HB2 -0.05 -0.07 0.07 -0.04 2.09 2.00 3hmmA1 GLU 100 HB3 -0.05 0.09 -0.00 -0.04 1.99 1.99 3hmmA1 GLU 100 HG2 -0.04 0.05 0.04 -0.04 2.34 2.36 3hmmA1 GLU 100 HG3 -0.04 0.13 0.05 -0.04 2.34 2.44 3hmmA1 GLY 101 H -0.06 -0.04 -0.40 -0.55 8.43 7.38 3hmmA1 GLY 101 HA2 -0.06 0.12 0.40 -0.51 4.01 3.97 3hmmA1 GLY 101 HA3 -0.05 -0.02 0.28 -0.51 4.01 3.71 3hmmA1 MET 102 H -0.10 0.59 -0.20 -0.55 8.47 8.22 3hmmA1 MET 102 HA -0.12 0.05 0.35 -0.75 4.52 4.05 3hmmA1 MET 102 HB2 -0.15 0.06 -0.05 -0.04 2.15 1.96 3hmmA1 MET 102 HB3 -0.15 0.09 0.11 -0.04 2.03 2.03 3hmmA1 MET 102 HG2 -0.24 -0.03 -0.42 -0.04 2.63 1.91 3hmmA1 MET 102 HG3 -0.23 -0.03 -0.16 -0.04 2.56 2.10 3hmmA1 MET 102 HE3 -0.20 -0.03 -0.13 -0.04 2.10 1.70 3hmmA1 ILE 103 H -0.12 0.52 -0.14 -0.55 8.25 7.96 3hmmA1 ILE 103 HA -0.18 -0.01 0.37 -0.75 4.18 3.61 3hmmA1 ILE 103 HB -0.09 0.12 0.12 -0.04 1.89 1.99 3hmmA1 ILE 103 HG12 -0.12 -0.05 -0.01 -0.04 1.49 1.26 3hmmA1 ILE 103 HG13 -0.12 0.14 0.07 -0.04 1.21 1.26 3hmmA1 ILE 103 HG23 -0.08 -0.01 -0.11 -0.04 0.93 0.69 3hmmA1 ILE 103 HD13 -0.07 -0.02 -0.13 -0.04 0.88 0.62 3hmmA1 LYS 104 H -0.09 0.46 -0.27 -0.55 8.42 7.97 3hmmA1 LYS 104 HA -0.07 -0.01 0.40 -0.75 4.32 3.89 3hmmA1 LYS 104 HB2 -0.06 0.04 0.11 -0.04 1.87 1.92 3hmmA1 LYS 104 HB3 -0.08 0.16 0.16 -0.04 1.79 1.99 3hmmA1 LYS 104 HG2 -0.07 -0.01 -0.24 -0.04 1.46 1.10 3hmmA1 LYS 104 HG3 -0.05 -0.09 -0.01 -0.04 1.46 1.26 3hmmA1 LYS 104 HD2 -0.07 0.07 -0.05 -0.04 1.69 1.60 3hmmA1 LYS 104 HD3 -0.05 0.00 -0.21 -0.04 1.68 1.38 3hmmA1 LYS 104 HE2 -0.04 -0.05 -0.02 -0.04 2.99 2.83 3hmmA1 LYS 104 HE3 -0.05 -0.00 -0.03 -0.04 2.99 2.87 3hmmA1 LEU 105 H -0.11 0.51 -0.14 -0.55 8.37 8.08 3hmmA1 LEU 105 HA -0.10 -0.02 0.44 -0.75 4.35 3.92 3hmmA1 LEU 105 HB2 -0.12 0.11 0.13 -0.04 1.64 1.72 3hmmA1 LEU 105 HB3 -0.09 -0.09 -0.05 -0.04 1.64 1.37 3hmmA1 LEU 105 HG -0.10 0.26 0.09 -0.04 1.64 1.85 3hmmA1 LEU 105 HD13 0.01 -0.03 -0.11 -0.04 0.93 0.76 3hmmA1 LEU 105 HD23 -0.25 -0.02 -0.13 -0.04 0.89 0.45 3hmmA1 ALA 106 H -0.22 0.63 -0.10 -0.55 8.40 8.16 3hmmA1 ALA 106 HA -0.31 0.01 0.45 -0.75 4.34 3.74 3hmmA1 ALA 106 HB3 -0.83 0.01 0.06 -0.04 1.41 0.61 3hmmA1 LEU 107 H -0.13 0.82 -0.04 -0.55 8.37 8.47 3hmmA1 LEU 107 HA -0.00 -0.01 0.41 -0.75 4.35 3.99 3hmmA1 LEU 107 HB2 -0.06 0.03 0.06 -0.04 1.64 1.63 3hmmA1 LEU 107 HB3 -0.05 0.08 0.15 -0.04 1.64 1.78 3hmmA1 LEU 107 HG -0.01 -0.03 -0.23 -0.04 1.64 1.32 3hmmA1 LEU 107 HD13 0.01 -0.05 0.00 -0.04 0.93 0.85 3hmmA1 LEU 107 HD23 -0.02 0.01 -0.10 -0.04 0.89 0.74 3hmmA1 SER 108 H -0.04 0.67 -0.11 -0.55 8.46 8.43 3hmmA1 SER 108 HA 0.02 0.02 0.43 -0.75 4.49 4.20 3hmmA1 SER 108 HB2 -0.01 0.11 0.14 -0.04 3.95 4.15 3hmmA1 SER 108 HB3 -0.03 0.05 0.18 -0.04 3.93 4.09 3hmmA1 THR 109 H 0.02 0.48 -0.25 -0.55 8.28 7.99 3hmmA1 THR 109 HA 0.03 0.02 0.41 -0.75 4.39 4.09 3hmmA1 THR 109 HB 0.22 0.13 0.14 -0.04 4.32 4.78 3hmmA1 THR 109 HG23 0.08 -0.03 -0.10 -0.04 1.22 1.13 3hmmA1 ALA 110 H 0.14 0.64 -0.12 -0.55 8.40 8.51 3hmmA1 ALA 110 HA 0.03 -0.03 0.40 -0.75 4.34 3.98 3hmmA1 ALA 110 HB3 0.16 0.04 0.05 -0.04 1.41 1.62 3hmmA1 SER 111 H 0.04 0.59 -0.22 -0.55 8.46 8.33 3hmmA1 SER 111 HA 0.02 -0.00 0.46 -0.75 4.49 4.22 3hmmA1 SER 111 HB2 0.08 0.11 0.14 -0.04 3.95 4.24 3hmmA1 SER 111 HB3 0.12 -0.07 0.04 -0.04 3.93 3.98 3hmmA1 GLY 112 H 0.00 0.52 -0.20 -0.55 8.43 8.20 3hmmA1 GLY 112 HA2 -0.19 -0.02 0.41 -0.51 4.01 3.69 3hmmA1 GLY 112 HA3 -0.02 0.18 0.37 -0.51 4.01 4.03 3hmmA1 LEU 113 H -0.07 0.52 -0.10 -0.55 8.37 8.18 3hmmA1 LEU 113 HA -0.18 0.05 0.50 -0.75 4.35 3.96 3hmmA1 LEU 113 HB2 -0.13 0.06 0.11 -0.04 1.64 1.64 3hmmA1 LEU 113 HB3 -0.17 0.06 0.11 -0.04 1.64 1.59 3hmmA1 LEU 113 HG -0.95 -0.05 -0.02 -0.04 1.64 0.59 3hmmA1 LEU 113 HD13 -0.16 -0.01 0.08 -0.04 0.93 0.79 3hmmA1 LEU 113 HD23 -0.11 -0.01 -0.09 -0.04 0.89 0.64 3hmmA1 ALA 114 H -0.09 0.59 -0.21 -0.55 8.40 8.14 3hmmA1 ALA 114 HA -0.05 -0.11 0.40 -0.75 4.34 3.82 3hmmA1 ALA 114 HB3 0.00 0.02 -0.03 -0.04 1.41 1.36 3hmmA1 HIS 115 H -0.06 0.40 -0.34 -0.55 8.41 7.86 3hmmA1 HIS 115 HA -0.07 0.01 0.43 -0.75 4.63 4.24 3hmmA1 HIS 115 HB2 -0.56 -0.06 0.10 -0.04 3.26 2.70 3hmmA1 HIS 115 HB3 -0.41 0.09 0.17 -0.04 3.20 3.00 3hmmA1 HIS 115 HD2 -0.08 -0.08 -0.11 -0.04 6.97 6.66 3hmmA1 HIS 115 HE1 0.08 0.06 0.01 -0.04 7.75 7.86 3hmmA1 LEU 116 H -0.08 0.40 -0.11 -0.55 8.37 8.03 3hmmA1 LEU 116 HA -0.15 0.09 0.42 -0.75 4.35 3.95 3hmmA1 LEU 116 HB2 -0.08 -0.01 0.26 -0.04 1.64 1.77 3hmmA1 LEU 116 HB3 0.07 0.04 -0.03 -0.04 1.64 1.69 3hmmA1 LEU 116 HG 0.01 0.08 0.05 -0.04 1.64 1.74 3hmmA1 LEU 116 HD13 0.07 -0.06 -0.07 -0.04 0.93 0.83 3hmmA1 LEU 116 HD23 -0.04 -0.00 -0.05 -0.04 0.89 0.76 3hmmA1 HIS 117 H -0.00 0.53 -0.05 -0.55 8.41 8.34 3hmmA1 HIS 117 HA 0.09 0.07 0.48 -0.75 4.63 4.51 3hmmA1 HIS 117 HB2 0.01 0.03 0.15 -0.04 3.26 3.41 3hmmA1 HIS 117 HB3 0.03 -0.14 0.05 -0.04 3.20 3.10 3hmmA1 HIS 117 HD2 0.02 0.40 0.14 -0.04 6.97 7.49 3hmmA1 HIS 117 HE1 -0.02 0.08 0.09 -0.04 7.75 7.85 3hmmA1 MET 118 H 0.03 0.42 -0.33 -0.55 8.47 8.04 3hmmA1 MET 118 HA 0.07 -0.13 0.55 -0.75 4.52 4.26 3hmmA1 MET 118 HB2 0.04 -0.07 0.12 -0.04 2.15 2.21 3hmmA1 MET 118 HB3 -0.01 0.14 0.16 -0.04 2.03 2.29 3hmmA1 MET 118 HG2 0.03 0.11 -0.52 -0.04 2.63 2.20 3hmmA1 MET 118 HG3 0.04 -0.12 0.01 -0.04 2.56 2.45 3hmmA1 MET 118 HE3 0.06 -0.03 -0.02 -0.04 2.10 2.06 3hmmA1 GLU 119 H 0.04 0.02 0.22 -0.55 8.60 8.33 3hmmA1 GLU 119 HA -0.01 0.34 0.60 -0.75 4.29 4.46 3hmmA1 GLU 119 HB2 0.02 -0.08 0.15 -0.04 2.09 2.14 3hmmA1 GLU 119 HB3 0.02 -0.08 0.16 -0.04 1.99 2.05 3hmmA1 GLU 119 HG2 -0.01 0.09 -0.27 -0.04 2.34 2.10 3hmmA1 GLU 119 HG3 -0.04 -0.02 0.13 -0.04 2.34 2.38 3hmmA1 ILE 120 H -0.01 0.73 0.27 -0.55 8.25 8.68 3hmmA1 ILE 120 HA 0.02 0.10 0.91 -0.75 4.18 4.47 3hmmA1 ILE 120 HB 0.02 -0.17 0.28 -0.04 1.89 1.98 3hmmA1 ILE 120 HG12 0.06 -0.06 -0.07 -0.04 1.49 1.38 3hmmA1 ILE 120 HG13 0.00 0.14 -0.17 -0.04 1.21 1.15 3hmmA1 ILE 120 HG23 0.04 -0.00 -0.10 -0.04 0.93 0.83 3hmmA1 ILE 120 HD13 0.13 0.02 0.03 -0.04 0.88 1.01 3hmmA1 VAL 121 H 0.01 0.17 0.09 -0.55 8.24 7.96 3hmmA1 VAL 121 HA -0.00 0.07 0.54 -0.75 4.13 3.99 3hmmA1 VAL 121 HB 0.01 0.00 0.09 -0.04 2.12 2.18 3hmmA1 VAL 121 HG13 -0.00 -0.01 -0.07 -0.04 0.97 0.85 3hmmA1 VAL 121 HG23 0.00 0.02 -0.02 -0.04 0.95 0.91 3hmmA1 GLY 122 H -0.00 0.25 0.18 -0.55 8.43 8.31 3hmmA1 GLY 122 HA2 0.00 0.01 0.27 -0.51 4.01 3.79 3hmmA1 GLY 122 HA3 0.01 0.17 0.47 -0.51 4.01 4.15 3hmmA1 THR 123 H 0.01 0.16 0.10 -0.55 8.28 8.00 3hmmA1 THR 123 HA -0.00 0.07 0.43 -0.75 4.39 4.14 3hmmA1 THR 123 HB 0.00 0.04 0.06 -0.04 4.32 4.38 3hmmA1 THR 123 HG23 0.00 0.00 0.07 -0.04 1.22 1.25 3hmmA1 GLN 124 H 0.01 0.06 -0.31 -0.55 8.47 7.68 3hmmA1 GLN 124 HA 0.00 0.18 0.72 -0.75 4.36 4.51 3hmmA1 GLN 124 HB2 0.02 -0.03 0.12 -0.04 2.15 2.21 3hmmA1 GLN 124 HB3 0.02 0.03 0.09 -0.04 2.02 2.11 3hmmA1 GLN 124 HG2 0.01 -0.09 -0.13 -0.04 2.40 2.15 3hmmA1 GLN 124 HG3 0.02 -0.00 0.00 -0.04 2.39 2.37 3hmmA1 GLN 124 HE21 0.01 0.01 -0.01 -0.04 6.97 6.94 3hmmA1 GLN 124 HE22 0.01 -0.05 -0.07 -0.04 7.69 7.54 3hmmA1 GLY 125 H -0.00 0.23 -0.35 -0.55 8.43 7.76 3hmmA1 GLY 125 HA2 0.00 0.13 0.47 -0.51 4.01 4.11 3hmmA1 GLY 125 HA3 -0.01 -0.04 0.29 -0.51 4.01 3.74 3hmmA1 LYS 126 H -0.00 0.29 0.29 -0.55 8.42 8.45 3hmmA1 LYS 126 HA -0.02 0.23 0.84 -0.75 4.32 4.62 3hmmA1 LYS 126 HB2 0.01 0.07 0.02 -0.04 1.87 1.93 3hmmA1 LYS 126 HB3 -0.01 -0.20 0.21 -0.04 1.79 1.75 3hmmA1 LYS 126 HG2 -0.08 0.21 -0.25 -0.04 1.46 1.29 3hmmA1 LYS 126 HG3 -0.05 0.01 -0.08 -0.04 1.46 1.31 3hmmA1 LYS 126 HD2 -0.08 0.19 -0.07 -0.04 1.69 1.69 3hmmA1 LYS 126 HD3 -0.16 -0.13 0.00 -0.04 1.68 1.35 3hmmA1 LYS 126 HE2 -0.23 -0.14 -0.03 -0.04 2.99 2.55 3hmmA1 LYS 126 HE3 -0.95 -0.05 -0.08 -0.04 2.99 1.87 3hmmA1 PRO 127 HA -0.07 -0.07 0.63 -0.51 4.44 4.41 3hmmA1 PRO 127 HB2 -0.12 0.08 0.13 -0.04 2.28 2.33 3hmmA1 PRO 127 HB3 -0.10 -0.06 0.14 -0.04 2.02 1.97 3hmmA1 PRO 127 HG2 -0.07 0.06 0.03 -0.04 2.03 2.01 3hmmA1 PRO 127 HG3 -0.07 -0.03 0.06 -0.04 2.03 1.95 3hmmA1 PRO 127 HD2 -0.05 0.18 0.25 -0.04 3.68 4.01 3hmmA1 PRO 127 HD3 -0.05 0.14 0.17 -0.04 3.65 3.87 3hmmA1 ALA 128 H -0.08 -0.05 0.21 -0.55 8.40 7.92 3hmmA1 ALA 128 HA 0.04 0.37 0.20 -0.75 4.34 4.20 3hmmA1 ALA 128 HB3 0.05 -0.05 0.09 -0.04 1.41 1.46 3hmmA1 ILE 129 H 0.16 0.77 0.30 -0.55 8.25 8.93 3hmmA1 ILE 129 HA 0.20 0.20 1.02 -0.75 4.18 4.85 3hmmA1 ILE 129 HB 0.02 0.04 0.05 -0.04 1.89 1.96 3hmmA1 ILE 129 HG12 -0.03 -0.12 -0.20 -0.04 1.49 1.10 3hmmA1 ILE 129 HG13 -0.03 0.30 -0.49 -0.04 1.21 0.95 3hmmA1 ILE 129 HG23 -0.02 -0.04 -0.21 -0.04 0.93 0.62 3hmmA1 ILE 129 HD13 -0.08 -0.02 -0.06 -0.04 0.88 0.68 3hmmA1 ALA 130 H 0.19 0.59 0.29 -0.55 8.40 8.92 3hmmA1 ALA 130 HA 0.13 0.12 0.81 -0.75 4.34 4.64 3hmmA1 ALA 130 HB3 -0.23 0.00 -0.09 -0.04 1.41 1.05 3hmmA1 HIS 131 H 0.23 0.11 0.11 -0.55 8.41 8.31 3hmmA1 HIS 131 HA -0.01 0.16 0.44 -0.75 4.63 4.47 3hmmA1 HIS 131 HB2 0.02 0.09 0.07 -0.04 3.26 3.41 3hmmA1 HIS 131 HB3 0.04 -0.13 0.14 -0.04 3.20 3.20 3hmmA1 HIS 131 HD2 -0.02 0.01 -0.09 -0.04 6.97 6.83 3hmmA1 HIS 131 HE1 0.01 0.07 -0.06 -0.04 7.75 7.73 3hmmA1 ARG 132 H 0.18 0.05 0.01 -0.55 8.46 8.14 3hmmA1 ARG 132 HA 0.14 -0.00 0.26 -0.75 4.34 3.98 3hmmA1 ARG 132 HB2 -0.03 0.42 -0.07 -0.04 1.90 2.19 3hmmA1 ARG 132 HB3 0.04 0.01 0.12 -0.04 1.80 1.93 3hmmA1 ARG 132 HG2 0.03 -0.11 -0.10 -0.04 1.67 1.45 3hmmA1 ARG 132 HG3 -0.18 0.00 -0.42 -0.04 1.67 1.03 3hmmA1 ARG 132 HD2 -0.05 -0.04 -0.07 -0.04 3.22 3.02 3hmmA1 ARG 132 HD3 -0.87 -0.08 -0.09 -0.04 3.22 2.14 3hmmA1 ASP 133 H 0.60 0.01 -0.51 -0.55 8.40 7.95 3hmmA1 ASP 133 HA 0.12 0.13 0.49 -0.75 4.63 4.62 3hmmA1 ASP 133 HB2 0.12 0.16 -0.24 -0.04 2.71 2.71 3hmmA1 ASP 133 HB3 0.21 0.04 0.01 -0.04 2.70 2.92 3hmmA1 LEU 134 H 0.01 0.06 -0.00 -0.55 8.37 7.90 3hmmA1 LEU 134 HA -0.48 0.10 0.46 -0.75 4.35 3.68 3hmmA1 LEU 134 HB2 -0.26 -0.08 0.11 -0.04 1.64 1.37 3hmmA1 LEU 134 HB3 -0.08 0.04 0.08 -0.04 1.64 1.64 3hmmA1 LEU 134 HG -0.14 0.01 -0.24 -0.04 1.64 1.23 3hmmA1 LEU 134 HD13 -0.30 -0.00 0.01 -0.04 0.93 0.59 3hmmA1 LEU 134 HD23 -0.08 0.01 -0.04 -0.04 0.89 0.74 3hmmA1 LYS 135 H -0.24 0.27 0.21 -0.55 8.42 8.11 3hmmA1 LYS 135 HA -0.68 0.18 0.45 -0.75 4.32 3.52 3hmmA1 LYS 135 HB2 -0.91 -0.10 0.12 -0.04 1.87 0.95 3hmmA1 LYS 135 HB3 -1.12 0.24 -0.12 -0.04 1.79 0.74 3hmmA1 LYS 135 HG2 -0.19 0.25 -0.14 -0.04 1.46 1.34 3hmmA1 LYS 135 HG3 -0.17 -0.33 -0.14 -0.04 1.46 0.78 3hmmA1 LYS 135 HD2 -0.11 -0.03 -0.04 -0.04 1.69 1.47 3hmmA1 LYS 135 HD3 -0.12 0.04 -0.09 -0.04 1.68 1.47 3hmmA1 LYS 135 HE2 -0.02 0.11 -0.05 -0.04 2.99 2.99 3hmmA1 LYS 135 HE3 -0.05 -0.07 -0.11 -0.04 2.99 2.72 3hmmA1 SER 136 H -0.01 0.26 0.14 -0.55 8.46 8.31 3hmmA1 SER 136 HA 0.09 0.13 0.45 -0.75 4.49 4.40 3hmmA1 SER 136 HB2 0.27 -0.01 -0.03 -0.04 3.95 4.15 3hmmA1 SER 136 HB3 0.30 0.10 0.09 -0.04 3.93 4.38 3hmmA1 LYS 137 H -0.03 0.11 -0.23 -0.55 8.42 7.71 3hmmA1 LYS 137 HA 0.07 0.01 0.56 -0.75 4.32 4.21 3hmmA1 LYS 137 HB2 -0.09 0.01 0.02 -0.04 1.87 1.77 3hmmA1 LYS 137 HB3 -0.09 0.07 0.06 -0.04 1.79 1.79 3hmmA1 LYS 137 HG2 -0.49 0.00 0.02 -0.04 1.46 0.96 3hmmA1 LYS 137 HG3 -0.28 -0.07 0.00 -0.04 1.46 1.07 3hmmA1 LYS 137 HD2 -0.18 0.01 0.00 -0.04 1.69 1.48 3hmmA1 LYS 137 HD3 -0.27 0.04 0.01 -0.04 1.68 1.41 3hmmA1 LYS 137 HE2 -1.13 0.01 -0.02 -0.04 2.99 1.81 3hmmA1 LYS 137 HE3 -0.80 -0.01 -0.01 -0.04 2.99 2.12 3hmmA1 ASN 138 H -0.04 0.27 -0.32 -0.55 8.53 7.89 3hmmA1 ASN 138 HA 0.04 0.25 0.95 -0.75 4.76 5.25 3hmmA1 ASN 138 HB2 0.10 -0.04 0.01 -0.04 2.88 2.91 3hmmA1 ASN 138 HB3 0.04 -0.00 -0.08 -0.04 2.79 2.71 3hmmA1 ASN 138 HD21 0.03 0.72 0.20 -0.04 7.03 7.94 3hmmA1 ASN 138 HD22 0.11 -0.10 0.03 -0.04 7.74 7.74 3hmmA1 ILE 139 H 0.03 0.26 -0.12 -0.55 8.25 7.86 3hmmA1 ILE 139 HA 0.02 0.15 0.89 -0.75 4.18 4.49 3hmmA1 ILE 139 HB 0.03 -0.05 0.15 -0.04 1.89 1.97 3hmmA1 ILE 139 HG12 -0.03 0.02 -0.01 -0.04 1.49 1.43 3hmmA1 ILE 139 HG13 -0.05 0.01 -0.13 -0.04 1.21 1.00 3hmmA1 ILE 139 HG23 -0.00 0.02 -0.15 -0.04 0.93 0.76 3hmmA1 ILE 139 HD13 0.01 -0.03 -0.14 -0.04 0.88 0.68 3hmmA1 LEU 140 H -0.00 0.79 0.27 -0.55 8.37 8.88 3hmmA1 LEU 140 HA 0.01 0.19 0.89 -0.75 4.35 4.68 3hmmA1 LEU 140 HB2 -0.05 -0.03 -0.10 -0.04 1.64 1.42 3hmmA1 LEU 140 HB3 0.01 0.07 -0.13 -0.04 1.64 1.55 3hmmA1 LEU 140 HG 0.07 -0.03 -0.35 -0.04 1.64 1.28 3hmmA1 LEU 140 HD13 0.17 -0.02 -0.18 -0.04 0.93 0.87 3hmmA1 LEU 140 HD23 0.07 0.01 -0.34 -0.04 0.89 0.59 3hmmA1 VAL 141 H -0.04 0.63 0.07 -0.55 8.24 8.35 3hmmA1 VAL 141 HA -0.20 0.20 0.82 -0.75 4.13 4.19 3hmmA1 VAL 141 HB -0.26 -0.00 -0.04 -0.04 2.12 1.78 3hmmA1 VAL 141 HG13 -0.78 0.05 -0.23 -0.04 0.97 -0.03 3hmmA1 VAL 141 HG23 -0.38 -0.01 -0.25 -0.04 0.95 0.28 3hmmA1 LYS 142 H -0.18 0.82 0.24 -0.55 8.42 8.76 3hmmA1 LYS 142 HA -0.10 0.07 0.58 -0.75 4.32 4.11 3hmmA1 LYS 142 HB2 -0.09 -0.05 0.02 -0.04 1.87 1.71 3hmmA1 LYS 142 HB3 -0.03 -0.11 0.09 -0.04 1.79 1.70 3hmmA1 LYS 142 HG2 -0.81 -0.03 -0.13 -0.04 1.46 0.44 3hmmA1 LYS 142 HG3 -0.30 0.12 -0.19 -0.04 1.46 1.06 3hmmA1 LYS 142 HD2 -0.07 0.01 -0.12 -0.04 1.69 1.47 3hmmA1 LYS 142 HD3 -0.00 -0.07 -0.03 -0.04 1.68 1.53 3hmmA1 LYS 142 HE2 -0.07 -0.11 -0.11 -0.04 2.99 2.65 3hmmA1 LYS 142 HE3 -0.08 0.15 -0.14 -0.04 2.99 2.88 3hmmA1 LYS 143 H 0.06 0.16 0.17 -0.55 8.42 8.25 3hmmA1 LYS 143 HA 0.06 0.12 0.36 -0.75 4.32 4.09 3hmmA1 LYS 143 HB2 -0.01 -0.02 0.17 -0.04 1.87 1.96 3hmmA1 LYS 143 HB3 0.02 -0.00 0.10 -0.04 1.79 1.87 3hmmA1 LYS 143 HG2 0.01 0.03 -0.09 -0.04 1.46 1.38 3hmmA1 LYS 143 HG3 -0.02 0.02 0.09 -0.04 1.46 1.51 3hmmA1 LYS 143 HD2 -0.01 -0.02 0.04 -0.04 1.69 1.66 3hmmA1 LYS 143 HD3 0.01 0.00 0.00 -0.04 1.68 1.65 3hmmA1 LYS 143 HE2 0.00 0.01 0.01 -0.04 2.99 2.97 3hmmA1 LYS 143 HE3 0.00 0.01 -0.01 -0.04 2.99 2.95 3hmmA1 ASN 144 H 0.00 0.01 -0.33 -0.55 8.53 7.67 3hmmA1 ASN 144 HA -0.00 0.19 0.55 -0.75 4.76 4.75 3hmmA1 ASN 144 HB2 -0.02 0.05 0.12 -0.04 2.88 3.00 3hmmA1 ASN 144 HB3 -0.00 -0.01 0.04 -0.04 2.79 2.77 3hmmA1 ASN 144 HD21 -0.03 0.03 -0.06 -0.04 7.03 6.94 3hmmA1 ASN 144 HD22 -0.02 0.03 -0.02 -0.04 7.74 7.69 3hmmA1 GLY 145 H -0.03 0.52 -0.53 -0.55 8.43 7.85 3hmmA1 GLY 145 HA2 -0.16 0.05 0.21 -0.51 4.01 3.61 3hmmA1 GLY 145 HA3 -0.07 0.09 0.45 -0.51 4.01 3.96 3hmmA1 THR 146 H -0.08 -0.04 -0.27 -0.55 8.28 7.34 3hmmA1 THR 146 HA -0.09 0.23 0.68 -0.75 4.39 4.46 3hmmA1 THR 146 HB -0.05 0.03 0.06 -0.04 4.32 4.32 3hmmA1 THR 146 HG23 -0.05 0.03 -0.17 -0.04 1.22 0.99 3hmmA1 CYS 147 H -0.06 0.12 0.13 -0.55 8.50 8.13 3hmmA1 CYS 147 HA -0.12 0.31 1.03 -0.75 4.58 5.04 3hmmA1 CYS 147 HB2 -0.03 -0.06 -0.06 -0.04 2.97 2.78 3hmmA1 CYS 147 HB3 -0.04 -0.02 -0.04 -0.04 2.97 2.84 3hmmA1 CYS 148 H -0.07 0.56 0.28 -0.55 8.50 8.72 3hmmA1 CYS 148 HA 0.03 0.23 0.46 -0.75 4.58 4.54 3hmmA1 CYS 148 HB2 0.06 -0.05 -0.64 -0.04 2.97 2.30 3hmmA1 CYS 148 HB3 -0.03 0.20 -0.23 -0.04 2.97 2.86 3hmmA1 ILE 149 H 0.06 0.71 0.23 -0.55 8.25 8.69 3hmmA1 ILE 149 HA 0.04 0.05 0.83 -0.75 4.18 4.35 3hmmA1 ILE 149 HB 0.07 0.04 0.18 -0.04 1.89 2.14 3hmmA1 ILE 149 HG12 -0.02 -0.06 0.01 -0.04 1.49 1.39 3hmmA1 ILE 149 HG13 0.01 0.07 0.07 -0.04 1.21 1.32 3hmmA1 ILE 149 HG23 0.07 0.01 -0.05 -0.04 0.93 0.92 3hmmA1 ILE 149 HD13 -0.03 0.03 -0.09 -0.04 0.88 0.74 3hmmA1 ALA 150 H 0.12 0.63 0.36 -0.55 8.40 8.96 3hmmA1 ALA 150 HA 0.28 0.15 0.83 -0.75 4.34 4.85 3hmmA1 ALA 150 HB3 0.17 -0.03 -0.02 -0.04 1.41 1.50 3hmmA1 ASP 151 H 0.26 0.10 0.10 -0.55 8.40 8.32 3hmmA1 ASP 151 HA 0.19 -0.04 0.38 -0.75 4.63 4.40 3hmmA1 ASP 151 HB2 0.14 -0.02 -0.10 -0.04 2.71 2.69 3hmmA1 ASP 151 HB3 0.22 0.20 0.15 -0.04 2.70 3.23 3hmmA1 LEU 152 H 0.14 0.11 -0.03 -0.55 8.37 8.04 3hmmA1 LEU 152 HA -0.41 0.23 0.65 -0.75 4.35 4.06 3hmmA1 LEU 152 HB2 -0.51 0.01 -0.02 -0.04 1.64 1.08 3hmmA1 LEU 152 HB3 -0.35 0.06 0.08 -0.04 1.64 1.38 3hmmA1 LEU 152 HG -0.25 -0.14 -0.24 -0.04 1.64 0.97 3hmmA1 LEU 152 HD13 -0.75 0.03 -0.11 -0.04 0.93 0.06 3hmmA1 LEU 152 HD23 -0.08 0.05 -0.29 -0.04 0.89 0.53 3hmmA1 GLY 153 H 0.04 0.01 -0.36 -0.55 8.43 7.57 3hmmA1 GLY 153 HA2 -0.02 0.07 0.26 -0.51 4.01 3.82 3hmmA1 GLY 153 HA3 0.07 -0.02 0.25 -0.51 4.01 3.81 3hmmA1 LEU 154 H -0.10 0.10 -0.36 -0.55 8.37 7.47 3hmmA1 LEU 154 HA -0.03 0.18 0.83 -0.75 4.35 4.58 3hmmA1 LEU 154 HB2 -0.03 0.03 -0.02 -0.04 1.64 1.58 3hmmA1 LEU 154 HB3 -0.01 0.04 0.12 -0.04 1.64 1.74 3hmmA1 LEU 154 HG 0.07 -0.16 -0.18 -0.04 1.64 1.32 3hmmA1 LEU 154 HD13 0.08 0.01 -0.04 -0.04 0.93 0.94 3hmmA1 LEU 154 HD23 0.07 0.03 -0.07 -0.04 0.89 0.87 3hmmA1 ALA 155 H -0.16 0.26 -0.28 -0.55 8.40 7.67 3hmmA1 ALA 155 HA -0.14 0.19 0.47 -0.75 4.34 4.11 3hmmA1 ALA 155 HB3 -0.17 -0.04 0.06 -0.04 1.41 1.22 3hmmA1 VAL 156 H -0.07 0.46 0.31 -0.55 8.24 8.39 3hmmA1 VAL 156 HA -0.07 0.16 0.88 -0.75 4.13 4.34 3hmmA1 VAL 156 HB -0.06 -0.06 -0.01 -0.04 2.12 1.95 3hmmA1 VAL 156 HG13 -0.30 0.05 -0.16 -0.04 0.97 0.51 3hmmA1 VAL 156 HG23 -0.31 -0.01 -0.02 -0.04 0.95 0.57 3hmmA1 ARG 157 H -0.03 0.09 0.17 -0.55 8.46 8.14 3hmmA1 ARG 157 HA -0.02 0.38 1.09 -0.75 4.34 5.03 3hmmA1 ARG 157 HB2 -0.06 -0.11 0.10 -0.04 1.90 1.78 3hmmA1 ARG 157 HB3 -0.08 0.10 0.00 -0.04 1.80 1.77 3hmmA1 ARG 157 HG2 -0.06 0.14 -0.14 -0.04 1.67 1.57 3hmmA1 ARG 157 HG3 -0.07 -0.08 -0.24 -0.04 1.67 1.24 3hmmA1 ARG 157 HD2 -0.08 0.04 -0.03 -0.04 3.22 3.12 3hmmA1 ARG 157 HD3 -0.10 0.06 -0.05 -0.04 3.22 3.09 3hmmA1 HIS 158 H -0.31 0.81 0.28 -0.55 8.41 8.65 3hmmA1 HIS 158 HA -0.38 0.22 0.90 -0.75 4.63 4.61 3hmmA1 HIS 158 HB2 -2.95 -0.01 -0.06 -0.04 3.26 0.21 3hmmA1 HIS 158 HB3 -0.90 -0.02 0.11 -0.04 3.20 2.34 3hmmA1 HIS 158 HD2 -0.15 0.13 -0.22 -0.04 6.97 6.68 3hmmA1 HIS 158 HE1 -0.01 0.05 -0.03 -0.04 7.75 7.71 3hmmA1 ASP 159 H -0.42 0.67 0.27 -0.55 8.40 8.37 3hmmA1 ASP 159 HA -0.27 0.20 0.93 -0.75 4.63 4.73 3hmmA1 ASP 159 HB2 -0.14 0.12 0.00 -0.04 2.71 2.65 3hmmA1 ASP 159 HB3 -0.17 -0.06 0.23 -0.04 2.70 2.65 3hmmA1 SER 160 H -0.35 0.29 0.05 -0.55 8.46 7.91 3hmmA1 SER 160 HA -0.38 0.05 0.37 -0.75 4.49 3.78 3hmmA1 SER 160 HB2 -0.04 0.06 0.03 -0.04 3.95 3.96 3hmmA1 SER 160 HB3 -0.08 0.03 0.11 -0.04 3.93 3.95 3hmmA1 ALA 161 H -0.14 0.06 -0.22 -0.55 8.40 7.56 3hmmA1 ALA 161 HA -0.05 0.09 0.39 -0.75 4.34 4.02 3hmmA1 ALA 161 HB3 -0.06 0.01 0.05 -0.04 1.41 1.37 3hmmA1 THR 162 H -0.11 0.12 -0.15 -0.55 8.28 7.59 3hmmA1 THR 162 HA -0.02 0.26 0.96 -0.75 4.39 4.84 3hmmA1 THR 162 HB -0.01 0.03 0.09 -0.04 4.32 4.38 3hmmA1 THR 162 HG23 -0.03 -0.01 -0.12 -0.04 1.22 1.02 3hmmA1 ASP 163 H -0.13 0.28 -0.03 -0.55 8.40 7.97 3hmmA1 ASP 163 HA 0.18 -0.06 0.30 -0.75 4.63 4.30 3hmmA1 ASP 163 HB2 0.12 0.04 -0.04 -0.04 2.71 2.78 3hmmA1 ASP 163 HB3 0.09 0.19 0.05 -0.04 2.70 2.99 3hmmA1 THR 164 H -0.08 0.15 0.07 -0.55 8.28 7.87 3hmmA1 THR 164 HA 0.12 0.25 0.90 -0.75 4.39 4.91 3hmmA1 THR 164 HB 0.04 0.06 0.08 -0.04 4.32 4.45 3hmmA1 THR 164 HG23 0.03 0.06 -0.21 -0.04 1.22 1.06 3hmmA1 ILE 165 H 0.10 0.23 0.20 -0.55 8.25 8.23 3hmmA1 ILE 165 HA 0.05 0.31 1.05 -0.75 4.18 4.83 3hmmA1 ILE 165 HB 0.11 0.12 0.12 -0.04 1.89 2.20 3hmmA1 ILE 165 HG12 0.34 -0.02 -0.23 -0.04 1.49 1.54 3hmmA1 ILE 165 HG13 0.26 -0.07 -0.22 -0.04 1.21 1.14 3hmmA1 ILE 165 HG23 0.04 -0.03 -0.02 -0.04 0.93 0.87 3hmmA1 ILE 165 HD13 0.38 0.01 -0.16 -0.04 0.88 1.08 3hmmA1 ASP 166 H -0.01 0.46 0.30 -0.55 8.40 8.59 3hmmA1 ASP 166 HA -0.01 0.08 0.40 -0.75 4.63 4.35 3hmmA1 ASP 166 HB2 -0.02 0.00 0.13 -0.04 2.71 2.78 3hmmA1 ASP 166 HB3 -0.04 0.02 0.10 -0.04 2.70 2.74 3hmmA1 ILE 167 H 0.00 0.07 -0.32 -0.55 8.25 7.45 3hmmA1 ILE 167 HA 0.01 0.22 0.80 -0.75 4.18 4.45 3hmmA1 ILE 167 HB -0.00 -0.13 0.14 -0.04 1.89 1.86 3hmmA1 ILE 167 HG12 -0.04 -0.12 -0.03 -0.04 1.49 1.25 3hmmA1 ILE 167 HG13 -0.03 -0.03 -0.32 -0.04 1.21 0.79 3hmmA1 ILE 167 HG23 -0.01 0.00 -0.19 -0.04 0.93 0.69 3hmmA1 ILE 167 HD13 -0.06 0.04 -0.07 -0.04 0.88 0.76 3hmmA1 ALA 168 H 0.01 0.15 0.04 -0.55 8.40 8.06 3hmmA1 ALA 168 HA 0.04 0.11 0.19 -0.75 4.34 3.92 3hmmA1 ALA 168 HB3 0.03 0.02 0.07 -0.04 1.41 1.49 3hmmA1 GLY 174 HA2 0.08 -0.07 0.14 -0.51 4.01 3.64 3hmmA1 GLY 174 HA3 0.09 0.09 0.23 -0.51 4.01 3.91 3hmmA1 THR 175 H 0.10 0.11 0.04 -0.55 8.28 7.98 3hmmA1 THR 175 HA 0.08 0.09 0.58 -0.75 4.39 4.38 3hmmA1 THR 175 HB 0.17 -0.00 0.07 -0.04 4.32 4.51 3hmmA1 THR 175 HG23 0.19 -0.04 -0.06 -0.04 1.22 1.27 3hmmA1 LYS 176 H 0.07 0.20 0.16 -0.55 8.42 8.29 3hmmA1 LYS 176 HA 0.05 0.08 0.24 -0.75 4.32 3.94 3hmmA1 LYS 176 HB2 0.03 0.04 0.09 -0.04 1.87 1.98 3hmmA1 LYS 176 HB3 0.00 0.02 -0.28 -0.04 1.79 1.49 3hmmA1 LYS 176 HG2 0.01 -0.13 -0.11 -0.04 1.46 1.19 3hmmA1 LYS 176 HG3 0.02 -0.02 -0.04 -0.04 1.46 1.38 3hmmA1 LYS 176 HD2 0.04 0.15 0.10 -0.04 1.69 1.94 3hmmA1 LYS 176 HD3 0.03 0.02 0.10 -0.04 1.68 1.79 3hmmA1 LYS 176 HE2 0.01 -0.11 0.08 -0.04 2.99 2.94 3hmmA1 LYS 176 HE3 0.02 -0.02 0.05 -0.04 2.99 3.00 3hmmA1 ARG 177 H 0.09 0.06 -0.19 -0.55 8.46 7.87 3hmmA1 ARG 177 HA -0.04 0.08 0.30 -0.75 4.34 3.94 3hmmA1 ARG 177 HB2 0.04 0.02 0.06 -0.04 1.90 1.97 3hmmA1 ARG 177 HB3 0.05 -0.10 -0.01 -0.04 1.80 1.70 3hmmA1 ARG 177 HG2 -0.26 -0.02 -0.15 -0.04 1.67 1.20 3hmmA1 ARG 177 HG3 -0.01 0.06 -0.00 -0.04 1.67 1.69 3hmmA1 ARG 177 HD2 -0.05 -0.14 -0.03 -0.04 3.22 2.96 3hmmA1 ARG 177 HD3 -0.03 0.12 -0.05 -0.04 3.22 3.22 3hmmA1 TYR 178 H 0.32 0.14 -0.37 -0.55 8.29 7.83 3hmmA1 TYR 178 HA 0.17 0.17 0.66 -0.75 4.56 4.81 3hmmA1 TYR 178 HB2 0.10 -0.00 -0.01 -0.04 3.06 3.10 3hmmA1 TYR 178 HB3 0.11 -0.01 0.14 -0.04 2.98 3.18 3hmmA1 TYR 178 HD2 0.07 0.01 0.02 -0.04 7.15 7.21 3hmmA1 TYR 178 HE2 0.11 -0.01 -0.02 -0.04 6.85 6.89 3hmmA1 MET 179 H 0.15 0.36 -0.35 -0.55 8.47 8.08 3hmmA1 MET 179 HA 0.15 -0.05 0.37 -0.75 4.52 4.23 3hmmA1 MET 179 HB2 0.03 0.13 0.05 -0.04 2.15 2.32 3hmmA1 MET 179 HB3 0.02 -0.09 -0.10 -0.04 2.03 1.82 3hmmA1 MET 179 HG2 0.09 -0.02 -0.16 -0.04 2.63 2.50 3hmmA1 MET 179 HG3 0.09 0.16 -0.32 -0.04 2.56 2.45 3hmmA1 MET 179 HE3 0.05 0.02 -0.17 -0.04 2.10 1.96 3hmmA1 ALA 180 H 0.04 0.02 0.17 -0.55 8.40 8.08 3hmmA1 ALA 180 HA -1.01 0.26 0.44 -0.75 4.34 3.27 3hmmA1 ALA 180 HB3 -0.11 0.01 0.16 -0.04 1.41 1.42 3hmmA1 PRO 181 HA -0.19 0.08 0.37 -0.51 4.44 4.20 3hmmA1 PRO 181 HB2 -0.14 0.03 0.15 -0.04 2.28 2.29 3hmmA1 PRO 181 HB3 -0.12 0.08 0.04 -0.04 2.02 1.98 3hmmA1 PRO 181 HG2 -0.18 0.16 0.00 -0.04 2.03 1.97 3hmmA1 PRO 181 HG3 -0.29 0.11 0.03 -0.04 2.03 1.84 3hmmA1 PRO 181 HD2 -0.52 0.10 0.18 -0.04 3.68 3.40 3hmmA1 PRO 181 HD3 -1.67 0.22 0.18 -0.04 3.65 2.35 3hmmA1 GLU 182 H -0.14 0.23 -0.12 -0.55 8.60 8.03 3hmmA1 GLU 182 HA -0.07 0.08 0.34 -0.75 4.29 3.88 3hmmA1 GLU 182 HB2 -0.07 -0.06 -0.04 -0.04 2.09 1.88 3hmmA1 GLU 182 HB3 -0.07 0.12 0.07 -0.04 1.99 2.08 3hmmA1 GLU 182 HG2 -0.09 0.02 -0.20 -0.04 2.34 2.03 3hmmA1 GLU 182 HG3 -0.10 -0.03 -0.06 -0.04 2.34 2.11 3hmmA1 VAL 183 H -0.09 0.27 -0.58 -0.55 8.24 7.29 3hmmA1 VAL 183 HA -0.03 0.06 0.55 -0.75 4.13 3.96 3hmmA1 VAL 183 HB -0.02 0.16 0.07 -0.04 2.12 2.28 3hmmA1 VAL 183 HG13 0.04 0.02 -0.13 -0.04 0.97 0.86 3hmmA1 VAL 183 HG23 0.00 -0.02 -0.04 -0.04 0.95 0.85 3hmmA1 LEU 184 H -0.08 0.55 -0.07 -0.55 8.37 8.23 3hmmA1 LEU 184 HA -0.03 0.02 0.37 -0.75 4.35 3.95 3hmmA1 LEU 184 HB2 -0.10 0.12 0.11 -0.04 1.64 1.73 3hmmA1 LEU 184 HB3 -0.07 -0.09 0.00 -0.04 1.64 1.44 3hmmA1 LEU 184 HG -0.08 0.11 -0.21 -0.04 1.64 1.42 3hmmA1 LEU 184 HD13 -0.14 -0.00 -0.25 -0.04 0.93 0.50 3hmmA1 LEU 184 HD23 -0.04 0.02 0.00 -0.04 0.89 0.82 3hmmA1 ASP 185 H -0.06 0.39 -0.20 -0.55 8.40 7.99 3hmmA1 ASP 185 HA -0.04 0.20 0.82 -0.75 4.63 4.85 3hmmA1 ASP 185 HB2 -0.04 -0.00 0.12 -0.04 2.71 2.75 3hmmA1 ASP 185 HB3 -0.05 0.00 0.01 -0.04 2.70 2.63 3hmmA1 ASP 186 H -0.03 0.32 -0.61 -0.55 8.40 7.53 3hmmA1 ASP 186 HA -0.02 0.05 0.33 -0.75 4.63 4.24 3hmmA1 ASP 186 HB2 -0.01 0.11 -0.28 -0.04 2.71 2.48 3hmmA1 ASP 186 HB3 -0.01 -0.04 0.22 -0.04 2.70 2.83 3hmmA1 SER 187 H -0.04 0.12 -0.28 -0.55 8.46 7.71 3hmmA1 SER 187 HA -0.03 0.17 0.62 -0.75 4.49 4.49 3hmmA1 SER 187 HB2 -0.03 -0.04 0.07 -0.04 3.95 3.91 3hmmA1 SER 187 HB3 -0.03 0.07 -0.02 -0.04 3.93 3.90 3hmmA1 ILE 188 H -0.05 0.35 -0.12 -0.55 8.25 7.87 3hmmA1 ILE 188 HA -0.08 -0.03 0.35 -0.75 4.18 3.66 3hmmA1 ILE 188 HB -0.10 -0.10 -0.25 -0.04 1.89 1.40 3hmmA1 ILE 188 HG12 -0.29 0.01 -0.55 -0.04 1.49 0.62 3hmmA1 ILE 188 HG13 -0.20 -0.07 -0.08 -0.04 1.21 0.82 3hmmA1 ILE 188 HG23 -0.07 0.01 -0.14 -0.04 0.93 0.69 3hmmA1 ILE 188 HD13 -0.35 -0.01 -0.26 -0.04 0.88 0.22 3hmmA1 ASN 189 H -0.09 0.10 0.13 -0.55 8.53 8.12 3hmmA1 ASN 189 HA -0.04 0.20 0.71 -0.75 4.76 4.88 3hmmA1 ASN 189 HB2 -0.03 0.12 0.13 -0.04 2.88 3.07 3hmmA1 ASN 189 HB3 0.00 -0.06 0.26 -0.04 2.79 2.95 3hmmA1 ASN 189 HD21 -0.03 0.05 -0.02 -0.04 7.03 6.98 3hmmA1 ASN 189 HD22 -0.05 0.03 0.03 -0.04 7.74 7.70 3hmmA1 MET 190 H -0.03 0.35 0.08 -0.55 8.47 8.31 3hmmA1 MET 190 HA -0.36 0.10 0.31 -0.75 4.52 3.82 3hmmA1 MET 190 HB2 0.09 0.02 0.02 -0.04 2.15 2.25 3hmmA1 MET 190 HB3 0.33 0.04 0.07 -0.04 2.03 2.43 3hmmA1 MET 190 HG2 -0.11 -0.08 -0.21 -0.04 2.63 2.19 3hmmA1 MET 190 HG3 0.01 0.13 -0.01 -0.04 2.56 2.65 3hmmA1 MET 190 HE3 0.08 0.01 0.01 -0.04 2.10 2.15 3hmmA1 LYS 191 H 0.03 0.04 -0.46 -0.55 8.42 7.48 3hmmA1 LYS 191 HA 0.14 0.17 0.67 -0.75 4.32 4.55 3hmmA1 LYS 191 HB2 0.05 -0.02 -0.00 -0.04 1.87 1.86 3hmmA1 LYS 191 HB3 0.07 0.05 0.12 -0.04 1.79 2.00 3hmmA1 LYS 191 HG2 0.07 0.05 -0.04 -0.04 1.46 1.49 3hmmA1 LYS 191 HG3 0.04 -0.06 -0.03 -0.04 1.46 1.38 3hmmA1 LYS 191 HD2 0.03 0.01 0.00 -0.04 1.69 1.69 3hmmA1 LYS 191 HD3 0.03 -0.00 0.01 -0.04 1.68 1.67 3hmmA1 LYS 191 HE2 0.05 0.02 0.05 -0.04 2.99 3.07 3hmmA1 LYS 191 HE3 0.05 0.01 0.03 -0.04 2.99 3.03 3hmmA1 HIS 192 H 0.07 0.39 -0.29 -0.55 8.41 8.03 3hmmA1 HIS 192 HA 0.04 0.20 0.80 -0.75 4.63 4.92 3hmmA1 HIS 192 HB2 -0.04 0.02 0.06 -0.04 3.26 3.27 3hmmA1 HIS 192 HB3 -0.11 0.07 0.24 -0.04 3.20 3.35 3hmmA1 HIS 192 HD2 -0.07 0.01 0.01 -0.04 6.97 6.88 3hmmA1 HIS 192 HE1 -0.00 0.07 0.01 -0.04 7.75 7.78 3hmmA1 PHE 193 H 0.22 0.32 0.02 -0.55 8.34 8.34 3hmmA1 PHE 193 HA 0.18 0.11 0.23 -0.75 4.62 4.39 3hmmA1 PHE 193 HB2 -0.12 0.09 -0.08 -0.04 3.15 3.00 3hmmA1 PHE 193 HB3 -0.61 -0.02 0.01 -0.04 3.06 2.40 3hmmA1 PHE 193 HD2 -0.22 0.01 -0.20 -0.04 7.28 6.82 3hmmA1 PHE 193 HE2 -0.08 0.13 -0.18 -0.04 7.38 7.20 3hmmA1 PHE 193 HZ -0.04 0.06 -0.62 -0.04 7.32 6.67 3hmmA1 GLU 194 H -0.48 0.14 -0.21 -0.55 8.60 7.50 3hmmA1 GLU 194 HA -0.39 0.07 0.35 -0.75 4.29 3.56 3hmmA1 GLU 194 HB2 -0.38 0.02 0.08 -0.04 2.09 1.77 3hmmA1 GLU 194 HB3 -0.96 0.02 -0.04 -0.04 1.99 0.97 3hmmA1 GLU 194 HG2 -0.07 0.05 -0.01 -0.04 2.34 2.27 3hmmA1 GLU 194 HG3 -0.18 -0.00 -0.04 -0.04 2.34 2.08 3hmmA1 SER 195 H -0.56 0.41 -0.43 -0.55 8.46 7.33 3hmmA1 SER 195 HA -0.24 0.01 0.40 -0.75 4.49 3.91 3hmmA1 SER 195 HB2 -0.45 0.34 0.09 -0.04 3.95 3.88 3hmmA1 SER 195 HB3 -0.31 -0.09 -0.02 -0.04 3.93 3.46 3hmmA1 PHE 196 H -0.40 0.44 -0.20 -0.55 8.34 7.63 3hmmA1 PHE 196 HA -0.15 0.04 0.46 -0.75 4.62 4.22 3hmmA1 PHE 196 HB2 -0.56 0.19 0.12 -0.04 3.15 2.86 3hmmA1 PHE 196 HB3 -0.24 -0.08 -0.04 -0.04 3.06 2.66 3hmmA1 PHE 196 HD2 -0.08 -0.05 -0.06 -0.04 7.28 7.05 3hmmA1 PHE 196 HE2 0.02 0.13 -0.10 -0.04 7.38 7.39 3hmmA1 PHE 196 HZ 0.01 0.03 -0.03 -0.04 7.32 7.29 3hmmA1 LYS 197 H -0.49 0.35 -0.16 -0.55 8.42 7.56 3hmmA1 LYS 197 HA -0.57 0.00 0.44 -0.75 4.32 3.44 3hmmA1 LYS 197 HB2 -0.41 0.13 0.18 -0.04 1.87 1.74 3hmmA1 LYS 197 HB3 -0.45 -0.03 0.02 -0.04 1.79 1.29 3hmmA1 LYS 197 HG2 -1.14 0.03 0.03 -0.04 1.46 0.35 3hmmA1 LYS 197 HG3 -0.96 -0.00 -0.05 -0.04 1.46 0.41 3hmmA1 LYS 197 HD2 0.08 0.10 -0.03 -0.04 1.69 1.80 3hmmA1 LYS 197 HD3 -0.25 -0.08 -0.03 -0.04 1.68 1.28 3hmmA1 LYS 197 HE2 -0.15 -0.02 0.02 -0.04 2.99 2.80 3hmmA1 LYS 197 HE3 -0.06 0.00 0.01 -0.04 2.99 2.91 3hmmA1 ARG 198 H -0.19 0.52 -0.11 -0.55 8.46 8.12 3hmmA1 ARG 198 HA -0.00 0.09 0.42 -0.75 4.34 4.10 3hmmA1 ARG 198 HB2 -0.09 0.02 0.13 -0.04 1.90 1.92 3hmmA1 ARG 198 HB3 -0.01 0.00 0.07 -0.04 1.80 1.83 3hmmA1 ARG 198 HG2 -0.03 0.20 -0.04 -0.04 1.67 1.76 3hmmA1 ARG 198 HG3 -0.11 0.05 0.05 -0.04 1.67 1.61 3hmmA1 ARG 198 HD2 -0.11 -0.08 -0.19 -0.04 3.22 2.81 3hmmA1 ARG 198 HD3 -0.03 -0.25 -0.64 -0.04 3.22 2.26 3hmmA1 ALA 199 H -0.05 0.45 -0.25 -0.55 8.40 8.01 3hmmA1 ALA 199 HA 0.07 0.03 0.50 -0.75 4.34 4.19 3hmmA1 ALA 199 HB3 0.04 0.01 0.13 -0.04 1.41 1.55 3hmmA1 ASP 200 H 0.07 0.47 -0.23 -0.55 8.40 8.16 3hmmA1 ASP 200 HA 0.13 -0.05 0.48 -0.75 4.63 4.44 3hmmA1 ASP 200 HB2 0.27 0.32 0.26 -0.04 2.71 3.52 3hmmA1 ASP 200 HB3 0.15 -0.05 0.05 -0.04 2.70 2.80 3hmmA1 ILE 201 H 0.11 0.42 -0.16 -0.55 8.25 8.08 3hmmA1 ILE 201 HA 0.00 -0.07 0.38 -0.75 4.18 3.74 3hmmA1 ILE 201 HB 0.08 0.25 0.22 -0.04 1.89 2.40 3hmmA1 ILE 201 HG12 0.13 0.14 0.10 -0.04 1.49 1.81 3hmmA1 ILE 201 HG13 0.06 0.17 0.08 -0.04 1.21 1.47 3hmmA1 ILE 201 HG23 -0.01 0.04 -0.06 -0.04 0.93 0.86 3hmmA1 ILE 201 HD13 0.04 -0.09 -0.10 -0.04 0.88 0.69 3hmmA1 TYR 202 H 0.23 0.36 -0.15 -0.55 8.29 8.18 3hmmA1 TYR 202 HA 0.21 0.22 0.39 -0.75 4.56 4.63 3hmmA1 TYR 202 HB2 0.13 0.10 0.17 -0.04 3.06 3.41 3hmmA1 TYR 202 HB3 0.10 0.07 0.21 -0.04 2.98 3.33 3hmmA1 TYR 202 HD2 0.19 0.10 -0.08 -0.04 7.15 7.32 3hmmA1 TYR 202 HE2 -0.02 0.10 -0.24 -0.04 6.85 6.64 3hmmA1 ALA 203 H 0.23 0.35 -0.18 -0.55 8.40 8.26 3hmmA1 ALA 203 HA 0.11 0.07 0.45 -0.75 4.34 4.22 3hmmA1 ALA 203 HB3 0.17 0.08 0.13 -0.04 1.41 1.74 3hmmA1 MET 204 H -0.00 0.60 -0.11 -0.55 8.47 8.41 3hmmA1 MET 204 HA -0.05 -0.08 0.35 -0.75 4.52 3.99 3hmmA1 MET 204 HB2 -0.12 -0.00 0.07 -0.04 2.15 2.05 3hmmA1 MET 204 HB3 -0.26 0.16 0.06 -0.04 2.03 1.95 3hmmA1 MET 204 HG2 -1.04 -0.00 -0.13 -0.04 2.63 1.42 3hmmA1 MET 204 HG3 -0.15 -0.07 -0.00 -0.04 2.56 2.29 3hmmA1 MET 204 HE3 -0.33 0.01 -0.06 -0.04 2.10 1.67 3hmmA1 GLY 205 H -0.07 0.58 -0.37 -0.55 8.43 8.02 3hmmA1 GLY 205 HA2 -0.31 -0.04 0.36 -0.51 4.01 3.51 3hmmA1 GLY 205 HA3 -0.13 0.16 0.29 -0.51 4.01 3.81 3hmmA1 LEU 206 H 0.19 0.47 -0.17 -0.55 8.37 8.31 3hmmA1 LEU 206 HA 0.37 0.02 0.43 -0.75 4.35 4.41 3hmmA1 LEU 206 HB2 0.22 0.13 0.18 -0.04 1.64 2.12 3hmmA1 LEU 206 HB3 -0.06 -0.10 0.06 -0.04 1.64 1.49 3hmmA1 LEU 206 HG -0.42 0.25 0.09 -0.04 1.64 1.51 3hmmA1 LEU 206 HD13 -0.21 -0.00 0.01 -0.04 0.93 0.68 3hmmA1 LEU 206 HD23 -0.79 -0.03 0.00 -0.04 0.89 0.04 3hmmA1 VAL 207 H 0.25 0.52 -0.16 -0.55 8.24 8.30 3hmmA1 VAL 207 HA 0.37 -0.05 0.40 -0.75 4.13 4.10 3hmmA1 VAL 207 HB 0.19 0.19 0.12 -0.04 2.12 2.57 3hmmA1 VAL 207 HG13 0.22 -0.03 -0.17 -0.04 0.97 0.95 3hmmA1 VAL 207 HG23 0.15 0.02 -0.11 -0.04 0.95 0.97 3hmmA1 PHE 208 H 0.34 0.70 -0.16 -0.55 8.34 8.67 3hmmA1 PHE 208 HA 0.04 -0.06 0.35 -0.75 4.62 4.20 3hmmA1 PHE 208 HB2 0.04 0.23 0.16 -0.04 3.15 3.54 3hmmA1 PHE 208 HB3 -0.02 -0.05 -0.04 -0.04 3.06 2.91 3hmmA1 PHE 208 HD2 -0.03 -0.04 -0.06 -0.04 7.28 7.11 3hmmA1 PHE 208 HE2 -0.04 -0.03 -0.04 -0.04 7.38 7.23 3hmmA1 PHE 208 HZ -0.03 0.02 -0.04 -0.04 7.32 7.22 3hmmA1 TRP 209 H 0.59 0.46 -0.34 -0.55 7.97 8.14 3hmmA1 TRP 209 HA 0.29 -0.02 0.39 -0.75 4.62 4.53 3hmmA1 TRP 209 HB2 0.61 0.04 0.10 -0.04 3.23 3.94 3hmmA1 TRP 209 HB3 0.30 0.23 0.18 -0.04 3.23 3.90 3hmmA1 TRP 209 HD1 0.68 -0.02 -0.08 -0.04 7.22 7.76 3hmmA1 TRP 209 HE1 0.01 0.65 -0.03 -0.04 10.20 10.79 3hmmA1 TRP 209 HE3 0.06 0.10 -0.16 -0.04 7.59 7.55 3hmmA1 TRP 209 HZ2 0.06 -0.01 0.02 -0.04 7.44 7.47 3hmmA1 TRP 209 HZ3 -0.06 0.06 -0.70 -0.04 7.13 6.38 3hmmA1 TRP 209 HH2 0.15 -0.03 -0.10 -0.04 7.19 7.17 3hmmA1 GLU 210 H 0.44 0.41 -0.15 -0.55 8.60 8.75 3hmmA1 GLU 210 HA -0.12 0.07 0.42 -0.75 4.29 3.91 3hmmA1 GLU 210 HB2 0.29 0.10 0.18 -0.04 2.09 2.62 3hmmA1 GLU 210 HB3 0.31 -0.05 0.03 -0.04 1.99 2.24 3hmmA1 GLU 210 HG2 0.34 0.16 0.14 -0.04 2.34 2.94 3hmmA1 GLU 210 HG3 0.51 0.19 0.11 -0.04 2.34 3.11 3hmmA1 ILE 211 H 0.11 0.42 -0.20 -0.55 8.25 8.03 3hmmA1 ILE 211 HA 0.01 0.05 0.39 -0.75 4.18 3.88 3hmmA1 ILE 211 HB -0.10 0.12 0.13 -0.04 1.89 2.00 3hmmA1 ILE 211 HG12 0.04 -0.04 -0.06 -0.04 1.49 1.39 3hmmA1 ILE 211 HG13 0.11 0.17 -0.00 -0.04 1.21 1.44 3hmmA1 ILE 211 HG23 -0.13 -0.01 -0.16 -0.04 0.93 0.59 3hmmA1 ILE 211 HD13 -0.03 -0.03 -0.17 -0.04 0.88 0.61 3hmmA1 ALA 212 H -0.21 0.66 -0.00 -0.55 8.40 8.30 3hmmA1 ALA 212 HA -0.45 -0.06 0.36 -0.75 4.34 3.44 3hmmA1 ALA 212 HB3 -1.12 0.01 0.07 -0.04 1.41 0.33 3hmmA1 ARG 213 H -0.21 0.44 -0.37 -0.55 8.46 7.77 3hmmA1 ARG 213 HA 0.31 -0.07 0.42 -0.75 4.34 4.25 3hmmA1 ARG 213 HB2 -0.27 0.20 0.07 -0.04 1.90 1.85 3hmmA1 ARG 213 HB3 -0.18 0.02 -0.07 -0.04 1.80 1.53 3hmmA1 ARG 213 HG2 -0.31 -0.13 0.05 -0.04 1.67 1.24 3hmmA1 ARG 213 HG3 -0.66 0.23 0.10 -0.04 1.67 1.29 3hmmA1 ARG 213 HD2 -2.49 -0.09 -0.05 -0.04 3.22 0.54 3hmmA1 ARG 213 HD3 -1.05 0.04 0.02 -0.04 3.22 2.19 3hmmA1 ARG 214 H -0.09 0.42 -0.35 -0.55 8.46 7.89 3hmmA1 ARG 214 HA -0.02 0.19 0.62 -0.75 4.34 4.38 3hmmA1 ARG 214 HB2 -0.04 0.03 0.13 -0.04 1.90 1.98 3hmmA1 ARG 214 HB3 -0.06 -0.05 0.27 -0.04 1.80 1.92 3hmmA1 ARG 214 HG2 0.01 0.11 0.07 -0.04 1.67 1.82 3hmmA1 ARG 214 HG3 0.06 -0.02 0.12 -0.04 1.67 1.79 3hmmA1 ARG 214 HD2 0.01 0.09 -0.17 -0.04 3.22 3.12 3hmmA1 ARG 214 HD3 0.06 -0.16 -0.15 -0.04 3.22 2.93 3hmmA1 CYS 215 H -0.12 0.46 -0.40 -0.55 8.50 7.89 3hmmA1 CYS 215 HA -0.10 0.15 0.56 -0.75 4.58 4.44 3hmmA1 CYS 215 HB2 -0.21 -0.05 0.05 -0.04 2.97 2.71 3hmmA1 CYS 215 HB3 -0.20 0.10 0.19 -0.04 2.97 3.02 3hmmA1 SER 216 H -0.09 0.51 0.34 -0.55 8.46 8.68 3hmmA1 SER 216 HA 0.09 0.44 0.76 -0.75 4.49 5.02 3hmmA1 SER 216 HB2 -0.32 0.11 -0.09 -0.04 3.95 3.60 3hmmA1 SER 216 HB3 -0.10 -0.09 0.03 -0.04 3.93 3.73 3hmmA1 ILE 217 H 0.06 0.68 0.24 -0.55 8.25 8.68 3hmmA1 ILE 217 HA 0.00 0.07 0.94 -0.75 4.18 4.44 3hmmA1 ILE 217 HB 0.03 0.08 0.16 -0.04 1.89 2.11 3hmmA1 ILE 217 HG12 -0.02 -0.07 -0.08 -0.04 1.49 1.28 3hmmA1 ILE 217 HG13 -0.01 0.09 -0.45 -0.04 1.21 0.79 3hmmA1 ILE 217 HG23 0.01 -0.01 -0.07 -0.04 0.93 0.81 3hmmA1 ILE 217 HD13 -0.02 -0.01 -0.04 -0.04 0.88 0.77 3hmmA1 GLY 218 H 0.01 0.17 0.12 -0.55 8.43 8.18 3hmmA1 GLY 218 HA2 0.01 0.04 0.34 -0.51 4.01 3.89 3hmmA1 GLY 218 HA3 0.02 0.13 0.50 -0.51 4.01 4.14 3hmmA1 GLY 219 H 0.04 0.05 -0.24 -0.55 8.43 7.74 3hmmA1 GLY 219 HA2 0.10 0.02 0.19 -0.51 4.01 3.80 3hmmA1 GLY 219 HA3 0.05 0.09 0.37 -0.51 4.01 4.01 3hmmA1 ILE 220 H 0.07 0.16 -0.76 -0.55 8.25 7.17 3hmmA1 ILE 220 HA -0.07 0.18 0.88 -0.75 4.18 4.42 3hmmA1 ILE 220 HB 0.04 0.08 0.11 -0.04 1.89 2.07 3hmmA1 ILE 220 HG12 0.01 0.19 -0.15 -0.04 1.49 1.50 3hmmA1 ILE 220 HG13 0.01 -0.06 0.01 -0.04 1.21 1.12 3hmmA1 ILE 220 HG23 -0.01 -0.01 -0.08 -0.04 0.93 0.79 3hmmA1 ILE 220 HD13 -0.02 0.01 -0.09 -0.04 0.88 0.74 3hmmA1 HIS 221 H -0.28 0.33 0.20 -0.55 8.41 8.11 3hmmA1 HIS 221 HA 0.05 0.08 0.42 -0.75 4.63 4.41 3hmmA1 HIS 221 HB2 -0.01 0.26 -0.01 -0.04 3.26 3.47 3hmmA1 HIS 221 HB3 -0.00 0.03 -0.29 -0.04 3.20 2.88 3hmmA1 HIS 221 HD2 -0.03 0.25 -0.32 -0.04 6.97 6.84 3hmmA1 HIS 221 HE1 -0.02 -0.02 -0.14 -0.04 7.75 7.53 3hmmA1 GLU 222 H 0.13 0.54 0.26 -0.55 8.60 8.98 3hmmA1 GLU 222 HA -0.06 0.03 0.77 -0.75 4.29 4.29 3hmmA1 GLU 222 HB2 -0.02 0.07 0.15 -0.04 2.09 2.24 3hmmA1 GLU 222 HB3 -0.11 0.04 0.10 -0.04 1.99 1.98 3hmmA1 GLU 222 HG2 -0.12 -0.02 0.04 -0.04 2.34 2.21 3hmmA1 GLU 222 HG3 -0.06 -0.04 0.01 -0.04 2.34 2.21 3hmmA1 ASP 223 H -0.08 0.01 0.13 -0.55 8.40 7.92 3hmmA1 ASP 223 HA 0.03 0.11 0.45 -0.75 4.63 4.47 3hmmA1 ASP 223 HB2 -0.10 -0.00 -0.01 -0.04 2.71 2.56 3hmmA1 ASP 223 HB3 -0.03 0.03 0.11 -0.04 2.70 2.76 3hmmA1 TYR 224 H 0.06 0.12 0.14 -0.55 8.29 8.05 3hmmA1 TYR 224 HA -0.13 0.11 0.40 -0.75 4.56 4.19 3hmmA1 TYR 224 HB2 -0.13 0.29 0.06 -0.04 3.06 3.23 3hmmA1 TYR 224 HB3 -0.13 -0.07 0.10 -0.04 2.98 2.84 3hmmA1 TYR 224 HD2 -0.11 0.04 -0.23 -0.04 7.15 6.82 3hmmA1 TYR 224 HE2 0.10 -0.08 -0.15 -0.04 6.85 6.69 3hmmA1 GLN 225 H -1.14 0.31 0.20 -0.55 8.47 7.29 3hmmA1 GLN 225 HA -0.36 0.07 0.56 -0.75 4.36 3.87 3hmmA1 GLN 225 HB2 -0.48 -0.01 -0.06 -0.04 2.15 1.56 3hmmA1 GLN 225 HB3 -0.61 -0.02 0.05 -0.04 2.02 1.40 3hmmA1 GLN 225 HG2 -0.46 0.15 -0.75 -0.04 2.40 1.30 3hmmA1 GLN 225 HG3 -1.12 -0.08 -0.12 -0.04 2.39 1.02 3hmmA1 GLN 225 HE21 -0.08 -0.05 -0.01 -0.04 6.97 6.80 3hmmA1 GLN 225 HE22 -0.24 -0.05 -0.07 -0.04 7.69 7.29 3hmmA1 LEU 226 H 0.09 0.12 0.12 -0.55 8.37 8.16 3hmmA1 LEU 226 HA 0.27 0.10 0.61 -0.75 4.35 4.58 3hmmA1 LEU 226 HB2 0.23 -0.01 0.06 -0.04 1.64 1.88 3hmmA1 LEU 226 HB3 0.19 0.12 0.00 -0.04 1.64 1.91 3hmmA1 LEU 226 HG 0.61 -0.03 -0.03 -0.04 1.64 2.15 3hmmA1 LEU 226 HD13 0.24 0.01 0.01 -0.04 0.93 1.15 3hmmA1 LEU 226 HD23 0.48 -0.01 0.02 -0.04 0.89 1.34 3hmmA1 PRO 227 HA -0.68 -0.01 0.45 -0.51 4.44 3.69 3hmmA1 PRO 227 HB2 -0.77 0.11 -0.00 -0.04 2.28 1.57 3hmmA1 PRO 227 HB3 -0.39 0.06 0.12 -0.04 2.02 1.76 3hmmA1 PRO 227 HG2 -0.39 0.06 0.03 -0.04 2.03 1.69 3hmmA1 PRO 227 HG3 -0.50 0.02 0.01 -0.04 2.03 1.52 3hmmA1 PRO 227 HD2 0.11 0.01 0.19 -0.04 3.68 3.95 3hmmA1 PRO 227 HD3 0.25 0.16 0.15 -0.04 3.65 4.18 3hmmA1 TYR 228 H -0.71 0.09 0.17 -0.55 8.29 7.29 3hmmA1 TYR 228 HA -0.30 -0.01 0.26 -0.75 4.56 3.75 3hmmA1 TYR 228 HB2 -0.18 0.33 0.13 -0.04 3.06 3.30 3hmmA1 TYR 228 HB3 -0.18 -0.09 0.12 -0.04 2.98 2.79 3hmmA1 TYR 228 HD2 -0.29 0.04 -0.21 -0.04 7.15 6.65 3hmmA1 TYR 228 HE2 -0.32 0.11 -0.22 -0.04 6.85 6.38 3hmmA1 TYR 229 H 0.25 0.28 -0.13 -0.55 8.29 8.14 3hmmA1 TYR 229 HA 0.05 0.13 0.25 -0.75 4.56 4.23 3hmmA1 TYR 229 HB2 0.07 -0.02 0.08 -0.04 3.06 3.15 3hmmA1 TYR 229 HB3 0.09 0.21 0.14 -0.04 2.98 3.38 3hmmA1 TYR 229 HD2 0.13 0.05 -0.08 -0.04 7.15 7.22 3hmmA1 TYR 229 HE2 0.19 -0.00 -0.04 -0.04 6.85 6.96 3hmmA1 ASP 230 H -0.76 0.00 -0.38 -0.55 8.40 6.72 3hmmA1 ASP 230 HA -0.16 0.26 0.88 -0.75 4.63 4.86 3hmmA1 ASP 230 HB2 -0.22 0.02 0.15 -0.04 2.71 2.61 3hmmA1 ASP 230 HB3 -0.53 0.00 -0.04 -0.04 2.70 2.09 3hmmA1 LEU 231 H -0.12 0.44 -0.20 -0.55 8.37 7.95 3hmmA1 LEU 231 HA -0.09 0.18 0.88 -0.75 4.35 4.57 3hmmA1 LEU 231 HB2 -0.03 0.02 0.00 -0.04 1.64 1.58 3hmmA1 LEU 231 HB3 -0.08 -0.00 0.01 -0.04 1.64 1.53 3hmmA1 LEU 231 HG -0.15 -0.13 -0.41 -0.04 1.64 0.91 3hmmA1 LEU 231 HD13 -0.02 -0.01 -0.13 -0.04 0.93 0.73 3hmmA1 LEU 231 HD23 -0.08 0.03 0.01 -0.04 0.89 0.81 3hmmA1 VAL 232 H -0.04 0.31 0.11 -0.55 8.24 8.08 3hmmA1 VAL 232 HA -0.05 0.14 0.78 -0.75 4.13 4.24 3hmmA1 VAL 232 HB -0.05 -0.09 0.02 -0.04 2.12 1.96 3hmmA1 VAL 232 HG13 -0.14 -0.02 -0.28 -0.04 0.97 0.49 3hmmA1 VAL 232 HG23 -0.02 0.08 -0.08 -0.04 0.95 0.89 3hmmA1 PRO 233 HA 0.01 0.10 0.40 -0.51 4.44 4.44 3hmmA1 PRO 233 HB2 0.00 -0.05 -0.18 -0.04 2.28 2.02 3hmmA1 PRO 233 HB3 0.00 0.01 0.07 -0.04 2.02 2.06 3hmmA1 PRO 233 HG2 -0.01 -0.00 0.04 -0.04 2.03 2.01 3hmmA1 PRO 233 HG3 -0.01 0.09 0.02 -0.04 2.03 2.09 3hmmA1 PRO 233 HD2 -0.03 -0.00 0.14 -0.04 3.68 3.76 3hmmA1 PRO 233 HD3 -0.03 0.20 0.17 -0.04 3.65 3.95 3hmmA1 SER 234 H 0.03 0.09 0.12 -0.55 8.46 8.15 3hmmA1 SER 234 HA 0.06 0.16 0.41 -0.75 4.49 4.36 3hmmA1 SER 234 HB2 0.04 -0.06 0.10 -0.04 3.95 3.99 3hmmA1 SER 234 HB3 0.05 0.01 0.01 -0.04 3.93 3.97 3hmmA1 ASP 235 H 0.02 0.02 -0.27 -0.55 8.40 7.62 3hmmA1 ASP 235 HA 0.02 0.19 0.76 -0.75 4.63 4.85 3hmmA1 ASP 235 HB2 0.01 -0.01 -0.05 -0.04 2.71 2.63 3hmmA1 ASP 235 HB3 0.01 -0.05 0.14 -0.04 2.70 2.76 3hmmA1 PRO 236 HA -0.01 -0.06 0.39 -0.51 4.44 4.25 3hmmA1 PRO 236 HB2 -0.04 0.04 -0.11 -0.04 2.28 2.13 3hmmA1 PRO 236 HB3 -0.03 0.09 -0.03 -0.04 2.02 2.02 3hmmA1 PRO 236 HG2 0.00 -0.14 -0.07 -0.04 2.03 1.78 3hmmA1 PRO 236 HG3 -0.00 0.12 -0.08 -0.04 2.03 2.03 3hmmA1 PRO 236 HD2 0.03 0.10 -0.05 -0.04 3.68 3.71 3hmmA1 PRO 236 HD3 0.02 0.50 -0.51 -0.04 3.65 3.62 3hmmA1 SER 237 H -0.02 0.04 0.18 -0.55 8.46 8.10 3hmmA1 SER 237 HA -0.01 0.25 0.73 -0.75 4.49 4.71 3hmmA1 SER 237 HB2 -0.01 -0.03 0.20 -0.04 3.95 4.06 3hmmA1 SER 237 HB3 -0.01 0.14 0.13 -0.04 3.93 4.14 3hmmA1 VAL 238 H -0.01 0.20 0.18 -0.55 8.24 8.07 3hmmA1 VAL 238 HA -0.03 0.16 0.41 -0.75 4.13 3.91 3hmmA1 VAL 238 HB -0.01 -0.06 0.17 -0.04 2.12 2.17 3hmmA1 VAL 238 HG13 -0.02 0.02 0.00 -0.04 0.97 0.94 3hmmA1 VAL 238 HG23 0.00 0.02 0.09 -0.04 0.95 1.03 3hmmA1 GLU 239 H -0.02 0.07 -0.07 -0.55 8.60 8.03 3hmmA1 GLU 239 HA -0.04 0.15 0.38 -0.75 4.29 4.03 3hmmA1 GLU 239 HB2 -0.02 0.01 0.12 -0.04 2.09 2.15 3hmmA1 GLU 239 HB3 -0.03 -0.01 0.03 -0.04 1.99 1.94 3hmmA1 GLU 239 HG2 -0.02 0.02 -0.01 -0.04 2.34 2.29 3hmmA1 GLU 239 HG3 -0.03 0.00 -0.01 -0.04 2.34 2.25 3hmmA1 GLU 240 H -0.04 0.00 -0.24 -0.55 8.60 7.77 3hmmA1 GLU 240 HA -0.06 0.08 0.41 -0.75 4.29 3.97 3hmmA1 GLU 240 HB2 -0.05 0.00 0.12 -0.04 2.09 2.12 3hmmA1 GLU 240 HB3 -0.05 0.10 0.08 -0.04 1.99 2.08 3hmmA1 GLU 240 HG2 -0.03 0.07 0.05 -0.04 2.34 2.39 3hmmA1 GLU 240 HG3 -0.03 -0.12 0.09 -0.04 2.34 2.24 3hmmA1 MET 241 H -0.08 0.44 -0.26 -0.55 8.47 8.02 3hmmA1 MET 241 HA -0.20 0.07 0.44 -0.75 4.52 4.07 3hmmA1 MET 241 HB2 -0.09 0.06 0.11 -0.04 2.15 2.19 3hmmA1 MET 241 HB3 -0.16 0.06 -0.05 -0.04 2.03 1.84 3hmmA1 MET 241 HG2 -0.07 0.00 -0.18 -0.04 2.63 2.34 3hmmA1 MET 241 HG3 -0.06 0.06 -0.40 -0.04 2.56 2.12 3hmmA1 MET 241 HE3 -0.41 0.04 0.01 -0.04 2.10 1.70 3hmmA1 ARG 242 H -0.08 0.68 -0.02 -0.55 8.46 8.48 3hmmA1 ARG 242 HA -0.11 -0.02 0.37 -0.75 4.34 3.83 3hmmA1 ARG 242 HB2 -0.06 0.14 0.08 -0.04 1.90 2.02 3hmmA1 ARG 242 HB3 -0.06 0.03 0.12 -0.04 1.80 1.86 3hmmA1 ARG 242 HG2 -0.06 -0.07 -0.18 -0.04 1.67 1.32 3hmmA1 ARG 242 HG3 -0.06 -0.05 -0.13 -0.04 1.67 1.38 3hmmA1 ARG 242 HD2 -0.04 -0.03 -0.06 -0.04 3.22 3.05 3hmmA1 ARG 242 HD3 -0.04 0.25 -0.07 -0.04 3.22 3.32 3hmmA1 LYS 243 H -0.08 0.56 -0.19 -0.55 8.42 8.16 3hmmA1 LYS 243 HA -0.06 -0.01 0.45 -0.75 4.32 3.94 3hmmA1 LYS 243 HB2 -0.07 0.13 0.12 -0.04 1.87 2.01 3hmmA1 LYS 243 HB3 -0.06 -0.03 0.05 -0.04 1.79 1.71 3hmmA1 LYS 243 HG2 -0.04 -0.05 0.04 -0.04 1.46 1.37 3hmmA1 LYS 243 HG3 -0.05 0.17 0.09 -0.04 1.46 1.63 3hmmA1 LYS 243 HD2 -0.04 -0.01 -0.05 -0.04 1.69 1.54 3hmmA1 LYS 243 HD3 -0.04 -0.01 -0.00 -0.04 1.68 1.59 3hmmA1 LYS 243 HE2 -0.03 0.00 -0.01 -0.04 2.99 2.91 3hmmA1 LYS 243 HE3 -0.03 -0.04 -0.05 -0.04 2.99 2.82 3hmmA1 VAL 244 H -0.14 0.36 -0.28 -0.55 8.24 7.63 3hmmA1 VAL 244 HA -0.11 0.04 0.59 -0.75 4.13 3.90 3hmmA1 VAL 244 HB -0.27 0.10 0.16 -0.04 2.12 2.07 3hmmA1 VAL 244 HG13 -0.19 -0.01 -0.18 -0.04 0.97 0.55 3hmmA1 VAL 244 HG23 -0.12 0.03 0.02 -0.04 0.95 0.83 3hmmA1 VAL 245 H -0.23 0.70 0.13 -0.55 8.24 8.30 3hmmA1 VAL 245 HA -0.15 0.24 0.56 -0.75 4.13 4.03 3hmmA1 VAL 245 HB -0.20 -0.03 0.05 -0.04 2.12 1.90 3hmmA1 VAL 245 HG13 -0.14 0.01 -0.10 -0.04 0.97 0.70 3hmmA1 VAL 245 HG23 -0.51 0.03 0.01 -0.04 0.95 0.45 3hmmA1 CYS 246 H -0.11 0.42 0.05 -0.55 8.50 8.32 3hmmA1 CYS 246 HA -0.06 0.14 0.72 -0.75 4.58 4.62 3hmmA1 CYS 246 HB2 -0.07 0.17 0.15 -0.04 2.97 3.18 3hmmA1 CYS 246 HB3 -0.06 -0.05 -0.01 -0.04 2.97 2.82 3hmmA1 GLU 247 H -0.07 0.31 0.03 -0.55 8.60 8.33 3hmmA1 GLU 247 HA -0.04 0.11 0.66 -0.75 4.29 4.27 3hmmA1 GLU 247 HB2 -0.05 0.21 0.30 -0.04 2.09 2.52 3hmmA1 GLU 247 HB3 -0.04 -0.03 0.03 -0.04 1.99 1.91 3hmmA1 GLU 247 HG2 -0.03 0.00 -0.03 -0.04 2.34 2.24 3hmmA1 GLU 247 HG3 -0.05 -0.01 -0.04 -0.04 2.34 2.21 3hmmA1 GLN 248 H -0.06 0.53 0.14 -0.55 8.47 8.53 3hmmA1 GLN 248 HA -0.03 0.05 0.53 -0.75 4.36 4.15 3hmmA1 GLN 248 HB2 -0.05 -0.00 0.17 -0.04 2.15 2.23 3hmmA1 GLN 248 HB3 -0.06 0.09 0.15 -0.04 2.02 2.16 3hmmA1 GLN 248 HG2 -0.04 0.01 0.03 -0.04 2.40 2.36 3hmmA1 GLN 248 HG3 -0.03 -0.03 0.09 -0.04 2.39 2.38 3hmmA1 GLN 248 HE21 -0.04 -0.03 0.00 -0.04 6.97 6.87 3hmmA1 GLN 248 HE22 -0.03 -0.00 0.01 -0.04 7.69 7.62 3hmmA1 LYS 249 H -0.05 -0.03 -0.72 -0.55 8.42 7.06 3hmmA1 LYS 249 HA -0.03 0.37 0.20 -0.75 4.32 4.11 3hmmA1 LYS 249 HB2 -0.00 0.10 -0.06 -0.04 1.87 1.87 3hmmA1 LYS 249 HB3 0.01 -0.10 0.15 -0.04 1.79 1.80 3hmmA1 LYS 249 HG2 -0.01 0.09 -0.06 -0.04 1.46 1.43 3hmmA1 LYS 249 HG3 -0.02 0.13 -0.54 -0.04 1.46 0.99 3hmmA1 LYS 249 HD2 0.00 -0.04 -0.07 -0.04 1.69 1.55 3hmmA1 LYS 249 HD3 0.01 -0.11 -0.00 -0.04 1.68 1.54 3hmmA1 LYS 249 HE2 -0.01 0.09 0.01 -0.04 2.99 3.04 3hmmA1 LYS 249 HE3 -0.00 -0.13 0.01 -0.04 2.99 2.83 3hmmA1 LEU 250 H -0.06 0.46 -0.03 -0.55 8.37 8.20 3hmmA1 LEU 250 HA -0.03 0.12 0.71 -0.75 4.35 4.40 3hmmA1 LEU 250 HB2 -0.05 -0.03 -0.06 -0.04 1.64 1.46 3hmmA1 LEU 250 HB3 -0.04 -0.02 -0.01 -0.04 1.64 1.52 3hmmA1 LEU 250 HG -0.05 0.02 -0.16 -0.04 1.64 1.42 3hmmA1 LEU 250 HD13 -0.05 -0.03 -0.03 -0.04 0.93 0.78 3hmmA1 LEU 250 HD23 -0.03 0.02 -0.08 -0.04 0.89 0.76 3hmmA1 ARG 251 H -0.10 0.21 0.15 -0.55 8.46 8.17 3hmmA1 ARG 251 HA -0.29 0.16 0.67 -0.75 4.34 4.13 3hmmA1 ARG 251 HB2 -0.10 -0.03 -0.03 -0.04 1.90 1.70 3hmmA1 ARG 251 HB3 -0.89 0.02 0.07 -0.04 1.80 0.95 3hmmA1 ARG 251 HG2 -0.01 0.02 -0.52 -0.04 1.67 1.12 3hmmA1 ARG 251 HG3 0.15 -0.03 -0.09 -0.04 1.67 1.66 3hmmA1 ARG 251 HD2 -0.48 -0.08 0.04 -0.04 3.22 2.66 3hmmA1 ARG 251 HD3 -0.07 0.12 0.08 -0.04 3.22 3.31 3hmmA1 PRO 252 HA -0.91 -0.10 0.46 -0.51 4.44 3.38 3hmmA1 PRO 252 HB2 -1.54 0.06 0.02 -0.04 2.28 0.78 3hmmA1 PRO 252 HB3 -3.08 -0.00 0.09 -0.04 2.02 -1.02 3hmmA1 PRO 252 HG2 -1.47 0.07 0.07 -0.04 2.03 0.65 3hmmA1 PRO 252 HG3 -1.88 -0.09 0.07 -0.04 2.03 0.09 3hmmA1 PRO 252 HD2 -2.75 0.14 0.14 -0.04 3.68 1.17 3hmmA1 PRO 252 HD3 -1.51 0.18 0.14 -0.04 3.65 2.42 3hmmA1 ASN 253 H -0.18 0.00 0.17 -0.55 8.53 7.98 3hmmA1 ASN 253 HA -0.00 0.10 0.50 -0.75 4.76 4.60 3hmmA1 ASN 253 HB2 0.01 0.00 -0.07 -0.04 2.88 2.79 3hmmA1 ASN 253 HB3 -0.02 0.04 0.09 -0.04 2.79 2.85 3hmmA1 ASN 253 HD21 0.25 0.00 -0.03 -0.04 7.03 7.22 3hmmA1 ASN 253 HD22 0.05 -0.01 -0.14 -0.04 7.74 7.61 3hmmA1 ILE 254 H 0.04 0.15 0.10 -0.55 8.25 7.99 3hmmA1 ILE 254 HA -0.20 0.21 0.76 -0.75 4.18 4.19 3hmmA1 ILE 254 HB 0.05 -0.05 0.12 -0.04 1.89 1.97 3hmmA1 ILE 254 HG12 0.19 0.01 0.04 -0.04 1.49 1.68 3hmmA1 ILE 254 HG13 0.22 -0.01 -0.02 -0.04 1.21 1.36 3hmmA1 ILE 254 HG23 0.23 0.02 -0.09 -0.04 0.93 1.04 3hmmA1 ILE 254 HD13 0.58 0.01 -0.28 -0.04 0.88 1.15 3hmmA1 PRO 255 HA -0.29 0.03 0.41 -0.51 4.44 4.08 3hmmA1 PRO 255 HB2 -1.22 -0.08 0.05 -0.04 2.28 0.98 3hmmA1 PRO 255 HB3 -0.40 0.02 0.09 -0.04 2.02 1.68 3hmmA1 PRO 255 HG2 -0.88 0.09 0.06 -0.04 2.03 1.26 3hmmA1 PRO 255 HG3 -0.43 0.05 0.02 -0.04 2.03 1.64 3hmmA1 PRO 255 HD2 -3.27 0.06 0.18 -0.04 3.68 0.61 3hmmA1 PRO 255 HD3 -0.74 0.53 0.27 -0.04 3.65 3.67 3hmmA1 ASN 256 H -0.13 0.17 0.19 -0.55 8.53 8.21 3hmmA1 ASN 256 HA -0.03 0.16 0.43 -0.75 4.76 4.57 3hmmA1 ASN 256 HB2 -0.03 0.06 0.13 -0.04 2.88 3.00 3hmmA1 ASN 256 HB3 -0.04 -0.02 0.09 -0.04 2.79 2.78 3hmmA1 ASN 256 HD21 0.01 0.02 -0.05 -0.04 7.03 6.96 3hmmA1 ASN 256 HD22 -0.01 -0.01 -0.09 -0.04 7.74 7.60 3hmmA1 ARG 257 H -0.10 0.06 -0.29 -0.55 8.46 7.57 3hmmA1 ARG 257 HA 0.06 0.08 0.35 -0.75 4.34 4.08 3hmmA1 ARG 257 HB2 0.02 0.01 0.04 -0.04 1.90 1.93 3hmmA1 ARG 257 HB3 0.07 0.02 -0.03 -0.04 1.80 1.82 3hmmA1 ARG 257 HG2 0.22 -0.01 -0.20 -0.04 1.67 1.64 3hmmA1 ARG 257 HG3 0.09 -0.01 0.03 -0.04 1.67 1.73 3hmmA1 ARG 257 HD2 0.09 0.05 -0.11 -0.04 3.22 3.20 3hmmA1 ARG 257 HD3 0.06 -0.03 -0.09 -0.04 3.22 3.12 3hmmA1 TRP 258 H 0.08 0.38 -0.48 -0.55 7.97 7.40 3hmmA1 TRP 258 HA -0.01 0.02 0.37 -0.75 4.62 4.26 3hmmA1 TRP 258 HB2 0.03 0.20 -0.05 -0.04 3.23 3.36 3hmmA1 TRP 258 HB3 0.01 -0.02 -0.02 -0.04 3.23 3.15 3hmmA1 TRP 258 HD1 -0.02 -0.11 -0.26 -0.04 7.22 6.79 3hmmA1 TRP 258 HE1 -0.08 0.07 -0.05 -0.04 10.20 10.10 3hmmA1 TRP 258 HE3 0.07 -0.01 -0.02 -0.04 7.59 7.60 3hmmA1 TRP 258 HZ2 -0.35 0.01 -0.14 -0.04 7.44 6.92 3hmmA1 TRP 258 HZ3 0.30 0.01 -0.03 -0.04 7.13 7.36 3hmmA1 TRP 258 HH2 -0.68 0.10 0.05 -0.04 7.19 6.61 3hmmA1 GLN 259 H 0.14 0.48 -0.56 -0.55 8.47 7.98 3hmmA1 GLN 259 HA 0.10 0.10 0.53 -0.75 4.36 4.34 3hmmA1 GLN 259 HB2 0.06 0.17 0.06 -0.04 2.15 2.40 3hmmA1 GLN 259 HB3 0.05 -0.04 0.07 -0.04 2.02 2.06 3hmmA1 GLN 259 HG2 0.08 0.01 -0.04 -0.04 2.40 2.41 3hmmA1 GLN 259 HG3 0.05 -0.03 0.01 -0.04 2.39 2.38 3hmmA1 GLN 259 HE21 0.10 -0.00 -0.09 -0.04 6.97 6.95 3hmmA1 GLN 259 HE22 0.14 0.02 -0.18 -0.04 7.69 7.63 3hmmA1 SER 260 H 0.10 0.42 -0.26 -0.55 8.46 8.17 3hmmA1 SER 260 HA 0.04 0.12 0.57 -0.75 4.49 4.46 3hmmA1 SER 260 HB2 0.03 -0.05 0.09 -0.04 3.95 3.98 3hmmA1 SER 260 HB3 0.05 -0.02 0.08 -0.04 3.93 4.00 3hmmA1 CYS 261 H 0.06 0.24 -0.27 -0.55 8.50 7.98 3hmmA1 CYS 261 HA 0.01 0.22 1.00 -0.75 4.58 5.04 3hmmA1 CYS 261 HB2 0.00 0.11 -0.05 -0.04 2.97 3.00 3hmmA1 CYS 261 HB3 -0.02 -0.01 0.10 -0.04 2.97 3.00 3hmmA1 GLU 262 H -0.01 0.22 0.14 -0.55 8.60 8.40 3hmmA1 GLU 262 HA -0.00 0.14 0.36 -0.75 4.29 4.03 3hmmA1 GLU 262 HB2 -0.01 0.07 0.13 -0.04 2.09 2.24 3hmmA1 GLU 262 HB3 -0.02 -0.05 0.15 -0.04 1.99 2.03 3hmmA1 GLU 262 HG2 -0.01 0.04 -0.00 -0.04 2.34 2.32 3hmmA1 GLU 262 HG3 -0.02 -0.00 -0.22 -0.04 2.34 2.05 3hmmA1 ALA 263 H -0.04 0.08 -0.11 -0.55 8.40 7.78 3hmmA1 ALA 263 HA -0.07 0.11 0.40 -0.75 4.34 4.03 3hmmA1 ALA 263 HB3 -0.09 0.02 0.04 -0.04 1.41 1.34 3hmmA1 LEU 264 H -0.09 0.06 -0.21 -0.55 8.37 7.58 3hmmA1 LEU 264 HA -0.29 0.02 0.45 -0.75 4.35 3.79 3hmmA1 LEU 264 HB2 -0.03 0.12 0.18 -0.04 1.64 1.87 3hmmA1 LEU 264 HB3 -0.18 -0.01 0.12 -0.04 1.64 1.52 3hmmA1 LEU 264 HG -0.19 -0.14 0.03 -0.04 1.64 1.30 3hmmA1 LEU 264 HD13 -0.05 0.01 -0.02 -0.04 0.93 0.83 3hmmA1 LEU 264 HD23 -0.76 0.02 0.03 -0.04 0.89 0.14 3hmmA1 ARG 265 H -0.01 0.48 -0.22 -0.55 8.46 8.16 3hmmA1 ARG 265 HA 0.07 0.05 0.41 -0.75 4.34 4.12 3hmmA1 ARG 265 HB2 0.01 0.08 0.16 -0.04 1.90 2.11 3hmmA1 ARG 265 HB3 0.03 -0.07 -0.01 -0.04 1.80 1.70 3hmmA1 ARG 265 HG2 0.07 -0.02 0.06 -0.04 1.67 1.74 3hmmA1 ARG 265 HG3 0.04 0.14 -0.13 -0.04 1.67 1.68 3hmmA1 ARG 265 HD2 0.04 -0.06 -0.01 -0.04 3.22 3.14 3hmmA1 ARG 265 HD3 0.04 0.14 -0.00 -0.04 3.22 3.36 3hmmA1 VAL 266 H -0.03 0.49 -0.14 -0.55 8.24 8.00 3hmmA1 VAL 266 HA -0.01 0.02 0.45 -0.75 4.13 3.84 3hmmA1 VAL 266 HB -0.05 0.12 0.16 -0.04 2.12 2.30 3hmmA1 VAL 266 HG13 -0.02 -0.02 -0.12 -0.04 0.97 0.77 3hmmA1 VAL 266 HG23 -0.02 0.07 0.04 -0.04 0.95 1.00 3hmmA1 MET 267 H -0.10 0.54 -0.09 -0.55 8.47 8.27 3hmmA1 MET 267 HA -0.06 -0.00 0.39 -0.75 4.52 4.09 3hmmA1 MET 267 HB2 -0.25 0.09 0.19 -0.04 2.15 2.13 3hmmA1 MET 267 HB3 -0.22 -0.01 -0.04 -0.04 2.03 1.71 3hmmA1 MET 267 HG2 -0.19 0.11 0.01 -0.04 2.63 2.52 3hmmA1 MET 267 HG3 -0.30 -0.04 -0.06 -0.04 2.56 2.11 3hmmA1 MET 267 HE3 -0.53 0.00 -0.03 -0.04 2.10 1.50 3hmmA1 ALA 268 H -0.01 0.71 -0.12 -0.55 8.40 8.44 3hmmA1 ALA 268 HA 0.14 -0.00 0.35 -0.75 4.34 4.07 3hmmA1 ALA 268 HB3 0.26 0.02 0.06 -0.04 1.41 1.71 3hmmA1 LYS 269 H 0.01 0.49 -0.25 -0.55 8.42 8.11 3hmmA1 LYS 269 HA -0.02 -0.00 0.39 -0.75 4.32 3.94 3hmmA1 LYS 269 HB2 0.01 0.09 0.14 -0.04 1.87 2.07 3hmmA1 LYS 269 HB3 -0.01 0.10 0.13 -0.04 1.79 1.97 3hmmA1 LYS 269 HG2 -0.00 -0.02 -0.14 -0.04 1.46 1.26 3hmmA1 LYS 269 HG3 0.01 -0.03 0.04 -0.04 1.46 1.43 3hmmA1 LYS 269 HD2 0.02 0.02 -0.00 -0.04 1.69 1.68 3hmmA1 LYS 269 HD3 0.01 -0.01 -0.02 -0.04 1.68 1.62 3hmmA1 LYS 269 HE2 0.03 -0.00 -0.01 -0.04 2.99 2.96 3hmmA1 LYS 269 HE3 0.02 -0.02 -0.02 -0.04 2.99 2.94 3hmmA1 ILE 270 H -0.04 0.50 -0.21 -0.55 8.25 7.96 3hmmA1 ILE 270 HA -0.07 -0.03 0.33 -0.75 4.18 3.66 3hmmA1 ILE 270 HB 0.06 0.19 0.16 -0.04 1.89 2.25 3hmmA1 ILE 270 HG12 0.02 -0.09 0.01 -0.04 1.49 1.39 3hmmA1 ILE 270 HG13 0.00 0.20 0.09 -0.04 1.21 1.46 3hmmA1 ILE 270 HG23 0.02 -0.03 -0.16 -0.04 0.93 0.72 3hmmA1 ILE 270 HD13 0.08 -0.04 -0.07 -0.04 0.88 0.81 3hmmA1 MET 271 H -0.19 0.53 -0.17 -0.55 8.47 8.09 3hmmA1 MET 271 HA -0.79 -0.03 0.35 -0.75 4.52 3.30 3hmmA1 MET 271 HB2 -0.56 0.13 0.11 -0.04 2.15 1.79 3hmmA1 MET 271 HB3 -1.83 -0.03 -0.02 -0.04 2.03 0.11 3hmmA1 MET 271 HG2 -0.02 -0.03 -0.01 -0.04 2.63 2.53 3hmmA1 MET 271 HG3 -0.05 0.37 0.01 -0.04 2.56 2.85 3hmmA1 MET 271 HE3 0.51 0.03 0.01 -0.04 2.10 2.61 3hmmA1 ARG 272 H -0.37 0.56 -0.11 -0.55 8.46 7.98 3hmmA1 ARG 272 HA -0.22 0.02 0.39 -0.75 4.34 3.78 3hmmA1 ARG 272 HB2 -0.13 0.14 0.15 -0.04 1.90 2.02 3hmmA1 ARG 272 HB3 -0.10 -0.06 0.01 -0.04 1.80 1.61 3hmmA1 ARG 272 HG2 -0.07 0.24 0.08 -0.04 1.67 1.88 3hmmA1 ARG 272 HG3 0.01 -0.06 -0.01 -0.04 1.67 1.57 3hmmA1 ARG 272 HD2 0.09 -0.02 0.01 -0.04 3.22 3.26 3hmmA1 ARG 272 HD3 0.16 -0.00 -0.02 -0.04 3.22 3.32 3hmmA1 GLU 273 H -0.27 0.55 -0.22 -0.55 8.60 8.11 3hmmA1 GLU 273 HA -0.67 0.05 0.49 -0.75 4.29 3.41 3hmmA1 GLU 273 HB2 -0.09 0.12 0.14 -0.04 2.09 2.22 3hmmA1 GLU 273 HB3 0.04 -0.12 0.19 -0.04 1.99 2.05 3hmmA1 GLU 273 HG2 0.24 -0.00 0.04 -0.04 2.34 2.58 3hmmA1 GLU 273 HG3 0.02 -0.03 -0.03 -0.04 2.34 2.26 3hmmA1 CYS 274 H -0.49 0.44 -0.64 -0.55 8.50 7.26 3hmmA1 CYS 274 HA -0.05 0.03 0.82 -0.75 4.58 4.62 3hmmA1 CYS 274 HB2 -0.65 0.17 0.17 -0.04 2.97 2.62 3hmmA1 CYS 274 HB3 -0.13 -0.02 0.00 -0.04 2.97 2.78 3hmmA1 TRP 275 H -0.22 0.32 0.01 -0.55 7.97 7.53 3hmmA1 TRP 275 HA 0.28 0.17 0.72 -0.75 4.62 5.03 3hmmA1 TRP 275 HB2 -0.08 0.05 0.10 -0.04 3.23 3.26 3hmmA1 TRP 275 HB3 0.09 -0.02 0.13 -0.04 3.23 3.39 3hmmA1 TRP 275 HD1 -0.25 0.07 -0.22 -0.04 7.22 6.78 3hmmA1 TRP 275 HE1 -0.27 -0.15 -0.30 -0.04 10.20 9.43 3hmmA1 TRP 275 HE3 -0.07 0.00 -0.09 -0.04 7.59 7.39 3hmmA1 TRP 275 HZ2 -0.03 0.01 -0.16 -0.04 7.44 7.22 3hmmA1 TRP 275 HZ3 -0.04 0.08 -0.11 -0.04 7.13 7.02 3hmmA1 TRP 275 HH2 0.01 -0.02 -0.10 -0.04 7.19 7.03 3hmmA1 TYR 276 H -0.03 0.09 -0.39 -0.55 8.29 7.41 3hmmA1 TYR 276 HA 0.12 0.02 0.38 -0.75 4.56 4.33 3hmmA1 TYR 276 HB2 0.07 0.07 -0.13 -0.04 3.06 3.04 3hmmA1 TYR 276 HB3 0.05 -0.17 -0.04 -0.04 2.98 2.78 3hmmA1 TYR 276 HD2 0.06 0.00 -0.24 -0.04 7.15 6.92 3hmmA1 TYR 276 HE2 0.03 0.01 -0.01 -0.04 6.85 6.85 3hmmA1 ALA 277 H 0.19 0.14 0.18 -0.55 8.40 8.36 3hmmA1 ALA 277 HA 0.02 0.10 0.39 -0.75 4.34 4.09 3hmmA1 ALA 277 HB3 0.03 0.01 0.10 -0.04 1.41 1.52 3hmmA1 ASN 278 H 0.10 0.07 -0.31 -0.55 8.53 7.84 3hmmA1 ASN 278 HA 0.01 0.10 0.71 -0.75 4.76 4.82 3hmmA1 ASN 278 HB2 -0.00 0.07 0.02 -0.04 2.88 2.92 3hmmA1 ASN 278 HB3 -0.01 0.02 0.09 -0.04 2.79 2.85 3hmmA1 ASN 278 HD21 -0.01 0.01 -0.01 -0.04 7.03 6.98 3hmmA1 ASN 278 HD22 -0.01 0.08 0.04 -0.04 7.74 7.81 3hmmA1 GLY 279 H -0.00 0.16 0.12 -0.55 8.43 8.16 3hmmA1 GLY 279 HA2 0.06 0.21 0.29 -0.51 4.01 4.06 3hmmA1 GLY 279 HA3 -0.01 -0.01 0.29 -0.51 4.01 3.78 3hmmA1 ALA 280 H 0.00 0.02 -0.24 -0.55 8.40 7.64 3hmmA1 ALA 280 HA 0.01 0.09 0.36 -0.75 4.34 4.04 3hmmA1 ALA 280 HB3 0.00 -0.01 0.02 -0.04 1.41 1.38 3hmmA1 ALA 281 H 0.01 0.25 -0.44 -0.55 8.40 7.67 3hmmA1 ALA 281 HA -0.06 0.09 0.56 -0.75 4.34 4.18 3hmmA1 ALA 281 HB3 -0.28 -0.01 0.04 -0.04 1.41 1.11 3hmmA1 ARG 282 H 0.12 0.24 -0.27 -0.55 8.46 8.00 3hmmA1 ARG 282 HA 0.31 0.21 0.54 -0.75 4.34 4.65 3hmmA1 ARG 282 HB2 0.09 0.01 0.13 -0.04 1.90 2.09 3hmmA1 ARG 282 HB3 0.09 -0.01 0.19 -0.04 1.80 2.04 3hmmA1 ARG 282 HG2 0.21 -0.12 -0.24 -0.04 1.67 1.48 3hmmA1 ARG 282 HG3 0.21 -0.03 -0.04 -0.04 1.67 1.77 3hmmA1 ARG 282 HD2 0.11 -0.12 0.08 -0.04 3.22 3.25 3hmmA1 ARG 282 HD3 0.19 0.11 0.08 -0.04 3.22 3.56 3hmmA1 LEU 283 H 0.06 0.47 0.29 -0.55 8.37 8.64 3hmmA1 LEU 283 HA 0.05 0.03 0.46 -0.75 4.35 4.14 3hmmA1 LEU 283 HB2 -0.01 0.03 0.02 -0.04 1.64 1.64 3hmmA1 LEU 283 HB3 0.01 -0.10 0.06 -0.04 1.64 1.57 3hmmA1 LEU 283 HG 0.05 0.13 0.10 -0.04 1.64 1.88 3hmmA1 LEU 283 HD13 -0.02 0.01 -0.03 -0.04 0.93 0.84 3hmmA1 LEU 283 HD23 0.04 -0.02 0.01 -0.04 0.89 0.88 3hmmA1 THR 284 H 0.03 0.03 0.19 -0.55 8.28 7.99 3hmmA1 THR 284 HA 0.05 0.28 0.76 -0.75 4.39 4.73 3hmmA1 THR 284 HB 0.05 -0.03 0.14 -0.04 4.32 4.44 3hmmA1 THR 284 HG23 0.03 0.06 0.02 -0.04 1.22 1.29 3hmmA1 ALA 285 H 0.10 0.23 0.13 -0.55 8.40 8.31 3hmmA1 ALA 285 HA -0.01 0.12 0.39 -0.75 4.34 4.08 3hmmA1 ALA 285 HB3 -0.05 0.06 0.03 -0.04 1.41 1.40 3hmmA1 LEU 286 H 0.05 0.10 -0.13 -0.55 8.37 7.84 3hmmA1 LEU 286 HA 0.03 0.13 0.37 -0.75 4.35 4.13 3hmmA1 LEU 286 HB2 0.04 0.05 0.10 -0.04 1.64 1.79 3hmmA1 LEU 286 HB3 0.04 -0.02 0.02 -0.04 1.64 1.64 3hmmA1 LEU 286 HG 0.03 -0.02 -0.07 -0.04 1.64 1.54 3hmmA1 LEU 286 HD13 0.04 0.02 0.00 -0.04 0.93 0.96 3hmmA1 LEU 286 HD23 0.04 0.02 -0.02 -0.04 0.89 0.88 3hmmA1 ARG 287 H 0.03 0.06 -0.25 -0.55 8.46 7.75 3hmmA1 ARG 287 HA 0.02 0.08 0.44 -0.75 4.34 4.13 3hmmA1 ARG 287 HB2 0.03 0.01 0.12 -0.04 1.90 2.02 3hmmA1 ARG 287 HB3 0.03 -0.01 0.18 -0.04 1.80 1.95 3hmmA1 ARG 287 HG2 0.03 0.05 0.02 -0.04 1.67 1.73 3hmmA1 ARG 287 HG3 0.02 0.04 -0.19 -0.04 1.67 1.50 3hmmA1 ARG 287 HD2 0.02 0.05 0.00 -0.04 3.22 3.25 3hmmA1 ARG 287 HD3 0.02 -0.10 0.12 -0.04 3.22 3.22 3hmmA1 ILE 288 H 0.02 0.52 -0.18 -0.55 8.25 8.06 3hmmA1 ILE 288 HA 0.04 0.03 0.39 -0.75 4.18 3.88 3hmmA1 ILE 288 HB 0.03 0.10 0.12 -0.04 1.89 2.09 3hmmA1 ILE 288 HG12 0.00 -0.02 -0.03 -0.04 1.49 1.40 3hmmA1 ILE 288 HG13 -0.00 0.10 -0.03 -0.04 1.21 1.24 3hmmA1 ILE 288 HG23 0.16 -0.01 -0.14 -0.04 0.93 0.90 3hmmA1 ILE 288 HD13 -0.12 -0.00 -0.16 -0.04 0.88 0.56 3hmmA1 LYS 289 H 0.04 0.56 -0.20 -0.55 8.42 8.27 3hmmA1 LYS 289 HA 0.04 0.00 0.36 -0.75 4.32 3.97 3hmmA1 LYS 289 HB2 0.03 0.04 -0.05 -0.04 1.87 1.86 3hmmA1 LYS 289 HB3 0.03 0.13 0.13 -0.04 1.79 2.04 3hmmA1 LYS 289 HG2 0.03 -0.02 -0.22 -0.04 1.46 1.21 3hmmA1 LYS 289 HG3 0.03 -0.01 -0.01 -0.04 1.46 1.44 3hmmA1 LYS 289 HD2 0.04 -0.01 -0.03 -0.04 1.69 1.65 3hmmA1 LYS 289 HD3 0.04 0.01 -0.03 -0.04 1.68 1.65 3hmmA1 LYS 289 HE2 0.04 -0.01 -0.05 -0.04 2.99 2.93 3hmmA1 LYS 289 HE3 0.05 -0.02 -0.01 -0.04 2.99 2.97 3hmmA1 LYS 290 H 0.03 0.48 -0.24 -0.55 8.42 8.13 3hmmA1 LYS 290 HA 0.02 0.01 0.40 -0.75 4.32 3.99 3hmmA1 LYS 290 HB2 0.02 0.15 0.22 -0.04 1.87 2.22 3hmmA1 LYS 290 HB3 0.02 -0.05 0.02 -0.04 1.79 1.74 3hmmA1 LYS 290 HG2 0.02 0.19 0.11 -0.04 1.46 1.74 3hmmA1 LYS 290 HG3 0.02 -0.10 -0.01 -0.04 1.46 1.33 3hmmA1 LYS 290 HD2 0.02 -0.02 -0.00 -0.04 1.69 1.65 3hmmA1 LYS 290 HD3 0.02 -0.02 0.01 -0.04 1.68 1.65 3hmmA1 LYS 290 HE2 0.02 -0.00 -0.02 -0.04 2.99 2.94 3hmmA1 LYS 290 HE3 0.03 0.01 -0.03 -0.04 2.99 2.95 3hmmA1 THR 291 H 0.02 0.60 -0.04 -0.55 8.28 8.31 3hmmA1 THR 291 HA 0.01 -0.00 0.39 -0.75 4.39 4.03 3hmmA1 THR 291 HB 0.02 0.10 0.14 -0.04 4.32 4.54 3hmmA1 THR 291 HG23 0.00 -0.02 -0.08 -0.04 1.22 1.09 3hmmA1 LEU 292 H 0.02 0.65 -0.12 -0.55 8.37 8.37 3hmmA1 LEU 292 HA -0.03 -0.00 0.45 -0.75 4.35 4.01 3hmmA1 LEU 292 HB2 0.01 0.11 0.10 -0.04 1.64 1.81 3hmmA1 LEU 292 HB3 -0.05 -0.04 0.01 -0.04 1.64 1.51 3hmmA1 LEU 292 HG 0.04 0.11 0.01 -0.04 1.64 1.76 3hmmA1 LEU 292 HD13 -0.02 -0.03 -0.24 -0.04 0.93 0.60 3hmmA1 LEU 292 HD23 -0.10 -0.02 -0.05 -0.04 0.89 0.67 3hmmA1 SER 293 H 0.00 0.59 -0.22 -0.55 8.46 8.28 3hmmA1 SER 293 HA -0.01 0.00 0.41 -0.75 4.49 4.14 3hmmA1 SER 293 HB2 0.01 0.11 0.14 -0.04 3.95 4.16 3hmmA1 SER 293 HB3 0.01 0.10 0.17 -0.04 3.93 4.17 3hmmA1 GLN 294 H -0.00 0.55 -0.12 -0.55 8.47 8.35 3hmmA1 GLN 294 HA -0.01 0.03 0.44 -0.75 4.36 4.07 3hmmA1 GLN 294 HB2 -0.00 0.11 0.14 -0.04 2.15 2.36 3hmmA1 GLN 294 HB3 -0.00 -0.06 0.02 -0.04 2.02 1.93 3hmmA1 GLN 294 HG2 0.00 -0.06 0.02 -0.04 2.40 2.32 3hmmA1 GLN 294 HG3 0.00 0.37 0.10 -0.04 2.39 2.83 3hmmA1 GLN 294 HE21 0.01 -0.03 -0.03 -0.04 6.97 6.88 3hmmA1 GLN 294 HE22 0.00 -0.01 -0.02 -0.04 7.69 7.63 3hmmA1 LEU 295 H -0.02 0.55 -0.10 -0.55 8.37 8.26 3hmmA1 LEU 295 HA -0.02 -0.03 0.40 -0.75 4.35 3.94 3hmmA1 LEU 295 HB2 -0.03 0.02 0.11 -0.04 1.64 1.70 3hmmA1 LEU 295 HB3 -0.04 0.11 0.15 -0.04 1.64 1.81 3hmmA1 LEU 295 HG -0.05 0.02 -0.20 -0.04 1.64 1.37 3hmmA1 LEU 295 HD13 -0.03 -0.04 -0.02 -0.04 0.93 0.80 3hmmA1 LEU 295 HD23 -0.07 -0.03 -0.00 -0.04 0.89 0.74 3hmmA1 SER 296 H -0.03 0.48 -0.37 -0.55 8.46 8.00 3hmmA1 SER 296 HA -0.04 -0.06 0.35 -0.75 4.49 3.99 3hmmA1 SER 296 HB2 -0.04 -0.00 0.09 -0.04 3.95 3.96 3hmmA1 SER 296 HB3 -0.02 0.22 0.14 -0.04 3.93 4.23 3hmmA1 GLN 297 H -0.02 0.27 -0.40 -0.55 8.47 7.78 3hmmA1 GLN 297 HA -0.02 0.01 0.51 -0.75 4.36 4.11 3hmmA1 GLN 297 HB2 -0.01 0.09 0.11 -0.04 2.15 2.30 3hmmA1 GLN 297 HB3 -0.01 -0.10 0.05 -0.04 2.02 1.92 3hmmA1 GLN 297 HG2 -0.01 -0.08 0.01 -0.04 2.40 2.28 3hmmA1 GLN 297 HG3 -0.01 0.44 0.17 -0.04 2.39 2.94 3hmmA1 GLN 297 HE21 -0.00 -0.05 -0.03 -0.04 6.97 6.84 3hmmA1 GLN 297 HE22 -0.00 -0.01 -0.02 -0.04 7.69 7.61 3hmmA1 GLN 298 H -0.02 0.30 -0.20 -0.55 8.47 8.01 3hmmA1 GLN 298 HA -0.01 0.01 0.17 -0.75 4.36 3.78 3hmmA1 GLN 298 HB2 -0.02 0.19 0.13 -0.04 2.15 2.40 3hmmA1 GLN 298 HB3 -0.01 -0.09 0.07 -0.04 2.02 1.95 3hmmA1 GLN 298 HG2 -0.01 -0.05 -0.00 -0.04 2.40 2.29 3hmmA1 GLN 298 HG3 -0.01 0.25 0.04 -0.04 2.39 2.63 3hmmA1 GLN 298 HE21 -0.01 -0.04 -0.02 -0.04 6.97 6.86 3hmmA1 GLN 298 HE22 -0.01 -0.01 0.01 -0.04 7.69 7.63