============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. HIS 22 0.900 -50.931 9.572 65.648 -99.200 -91.000 PHE 24 1.000 -44.563 10.831 74.074 -99.200 -91.000 PHE 29 1.000 -41.835 14.998 66.453 -99.200 -91.000 TYR 59 0.840 -42.453 3.889 75.084 -99.200 -91.000 TRP 71 1.040 -41.353 3.746 88.484 -99.200 -91.000 TRP6 71 1.020 -41.278 2.520 90.509 -99.200 -91.000 HIS 93 0.900 -50.390 19.703 102.189 -99.200 -91.000 TYR 95 0.840 -50.769 12.172 93.323 -99.200 -91.000 TYR 96 0.840 -55.186 18.402 91.777 -99.200 -91.000 PHE 99 1.000 -47.671 11.955 83.175 -99.200 -91.000 TYR 101 0.840 -44.726 16.890 74.954 -99.200 -91.000 HIS 103 0.900 -55.720 12.356 77.348 -99.200 -91.000 PHE 124 1.000 -41.913 19.487 93.530 -99.200 -91.000 TYR 127 0.840 -38.919 17.509 82.822 -99.200 -91.000 TYR 130 0.840 -36.499 26.656 83.406 -99.200 -91.000 TYR 143 0.840 -49.401 33.613 79.416 -99.200 -91.000 TYR 145 0.840 -56.742 25.774 81.524 -99.200 -91.000 TYR 146 0.840 -55.260 29.472 84.848 -99.200 -91.000 TRP 157 1.040 -52.075 28.783 89.337 -99.200 -91.000 TRP6 157 1.020 -51.325 26.585 88.832 -99.200 -91.000 TRP 163 1.040 -36.844 19.977 91.831 -99.200 -91.000 TRP6 163 1.020 -36.630 17.659 92.288 -99.200 -91.000 HIS 166 0.900 -34.099 18.851 98.713 -99.200 -91.000 HIS 167 0.900 -31.187 18.161 102.465 -99.200 -91.000 PHE 173 1.000 -29.924 11.738 90.923 -99.200 -91.000 HIS 176 0.900 -31.590 4.659 94.077 -99.200 -91.000 HIS 183 0.900 -26.025 -5.035 93.301 -99.200 -91.000 PHE 184 1.000 -19.731 -2.003 88.206 -99.200 -91.000 PHE 196 1.000 -22.416 11.356 87.865 -99.200 -91.000 HIS 199 0.900 -33.350 11.996 77.787 -99.200 -91.000 TYR 212 0.840 -30.727 19.380 80.590 -99.200 -91.000 TYR 229 0.840 -14.664 15.099 94.386 -99.200 -91.000 TYR 233 0.840 -17.024 13.672 87.770 -99.200 -91.000 TRP 237 1.040 -23.831 16.371 77.635 -99.200 -91.000 TRP6 237 1.020 -25.137 17.500 79.267 -99.200 -91.000 TRP 246 1.040 -29.312 17.201 68.657 -99.200 -91.000 TRP6 246 1.020 -31.124 16.863 70.157 -99.200 -91.000 PHE 273 1.000 -36.719 12.521 82.059 -99.200 -91.000 HIS 277 0.900 -36.373 8.185 81.016 -99.200 -91.000 TYR 282 0.840 -34.671 0.335 72.549 -99.200 -91.000 TYR 288 0.840 -26.744 4.081 74.360 -99.200 -91.000 PHE 313 1.000 -37.712 11.788 93.836 -99.200 -91.000 HIS 322 0.900 -42.445 22.161 106.053 -99.200 -91.000 HIS 324 0.900 -43.021 27.186 96.276 -99.200 -91.000 PHE 353 1.000 -50.138 32.244 85.806 -99.200 -91.000 PHE 354 1.000 -45.863 30.063 87.469 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hcpA1 ARG 65 HA -0.01 -0.10 0.19 -0.75 4.34 3.66 3hcpA1 ARG 65 HB2 -0.01 -0.07 0.04 -0.04 1.90 1.82 3hcpA1 ARG 65 HB3 -0.02 -0.04 -0.01 -0.04 1.80 1.70 3hcpA1 ARG 65 HG2 -0.02 0.23 -0.15 -0.04 1.67 1.69 3hcpA1 ARG 65 HG3 -0.02 -0.11 0.06 -0.04 1.67 1.56 3hcpA1 ARG 65 HD2 -0.02 0.08 -0.01 -0.04 3.22 3.23 3hcpA1 ARG 65 HD3 -0.02 -0.08 0.00 -0.04 3.22 3.09 3hcpA1 LYS 66 H -0.01 0.03 0.08 -0.55 8.42 7.96 3hcpA1 LYS 66 HA -0.01 0.07 0.48 -0.75 4.32 4.11 3hcpA1 LYS 66 HB2 -0.01 -0.08 0.08 -0.04 1.87 1.82 3hcpA1 LYS 66 HB3 -0.01 -0.08 0.13 -0.04 1.79 1.79 3hcpA1 LYS 66 HG2 -0.00 0.13 -0.00 -0.04 1.46 1.54 3hcpA1 LYS 66 HG3 -0.00 -0.07 0.02 -0.04 1.46 1.36 3hcpA1 LYS 66 HD2 -0.02 -0.10 -0.25 -0.04 1.69 1.28 3hcpA1 LYS 66 HD3 -0.01 0.26 -0.11 -0.04 1.68 1.78 3hcpA1 LYS 66 HE2 -0.01 -0.14 0.01 -0.04 2.99 2.81 3hcpA1 LYS 66 HE3 -0.01 -0.05 -0.00 -0.04 2.99 2.89 3hcpA1 PRO 67 HA -0.04 0.05 0.29 -0.51 4.44 4.24 3hcpA1 PRO 67 HB2 0.03 -0.04 -0.20 -0.04 2.28 2.03 3hcpA1 PRO 67 HB3 -0.02 -0.03 -0.10 -0.04 2.02 1.83 3hcpA1 PRO 67 HG2 0.03 0.12 0.01 -0.04 2.03 2.15 3hcpA1 PRO 67 HG3 0.00 -0.06 0.01 -0.04 2.03 1.95 3hcpA1 PRO 67 HD2 -0.00 0.08 0.21 -0.04 3.68 3.93 3hcpA1 PRO 67 HD3 -0.02 0.12 0.19 -0.04 3.65 3.90 3hcpA1 LYS 68 H -0.08 0.58 0.24 -0.55 8.42 8.60 3hcpA1 LYS 68 HA -0.05 0.13 0.91 -0.75 4.32 4.56 3hcpA1 LYS 68 HB2 -0.08 0.08 -0.07 -0.04 1.87 1.76 3hcpA1 LYS 68 HB3 -0.14 0.24 -0.17 -0.04 1.79 1.67 3hcpA1 LYS 68 HG2 -0.07 -0.10 -0.12 -0.04 1.46 1.13 3hcpA1 LYS 68 HG3 -0.05 -0.11 0.09 -0.04 1.46 1.34 3hcpA1 LYS 68 HD2 -0.05 -0.05 -0.02 -0.04 1.69 1.53 3hcpA1 LYS 68 HD3 -0.08 0.19 -0.25 -0.04 1.68 1.50 3hcpA1 LYS 68 HE2 -0.05 0.01 0.10 -0.04 2.99 3.00 3hcpA1 LYS 68 HE3 -0.04 -0.13 0.02 -0.04 2.99 2.80 3hcpA1 THR 69 H -0.09 0.39 0.23 -0.55 8.28 8.26 3hcpA1 THR 69 HA -0.04 0.15 0.94 -0.75 4.39 4.69 3hcpA1 THR 69 HB -0.05 -0.07 0.10 -0.04 4.32 4.26 3hcpA1 THR 69 HG23 0.11 -0.04 -0.22 -0.04 1.22 1.03 3hcpA1 GLY 70 H -0.04 0.70 0.36 -0.55 8.43 8.90 3hcpA1 GLY 70 HA2 0.27 0.29 0.93 -0.51 4.01 4.99 3hcpA1 GLY 70 HA3 0.09 -0.02 0.31 -0.51 4.01 3.87 3hcpA1 ILE 71 H 0.27 0.68 0.33 -0.55 8.25 8.99 3hcpA1 ILE 71 HA 0.14 0.20 0.95 -0.75 4.18 4.71 3hcpA1 ILE 71 HB 0.19 -0.06 0.15 -0.04 1.89 2.13 3hcpA1 ILE 71 HG12 0.07 -0.04 -0.11 -0.04 1.49 1.37 3hcpA1 ILE 71 HG13 0.10 0.10 -0.25 -0.04 1.21 1.12 3hcpA1 ILE 71 HG23 0.25 -0.02 -0.14 -0.04 0.93 0.98 3hcpA1 ILE 71 HD13 0.15 0.03 -0.21 -0.04 0.88 0.80 3hcpA1 LEU 72 H 0.18 0.57 0.13 -0.55 8.37 8.70 3hcpA1 LEU 72 HA 0.22 0.17 0.79 -0.75 4.35 4.78 3hcpA1 LEU 72 HB2 0.18 0.02 -0.07 -0.04 1.64 1.74 3hcpA1 LEU 72 HB3 0.32 -0.03 0.14 -0.04 1.64 2.03 3hcpA1 LEU 72 HG 0.18 -0.07 -0.32 -0.04 1.64 1.40 3hcpA1 LEU 72 HD13 0.10 0.03 -0.27 -0.04 0.93 0.75 3hcpA1 LEU 72 HD23 0.33 -0.00 -0.11 -0.04 0.89 1.06 3hcpA1 MET 73 H 0.15 0.68 0.34 -0.55 8.47 9.09 3hcpA1 MET 73 HA 0.04 0.32 0.71 -0.75 4.52 4.83 3hcpA1 MET 73 HB2 0.04 -0.05 0.17 -0.04 2.15 2.27 3hcpA1 MET 73 HB3 -0.03 -0.05 -0.02 -0.04 2.03 1.89 3hcpA1 MET 73 HG2 -0.06 0.04 -0.08 -0.04 2.63 2.48 3hcpA1 MET 73 HG3 0.13 0.10 -0.06 -0.04 2.56 2.69 3hcpA1 MET 73 HE3 -0.13 -0.01 -0.09 -0.04 2.10 1.83 3hcpA1 LEU 74 H 0.07 0.52 0.22 -0.55 8.37 8.63 3hcpA1 LEU 74 HA 0.08 0.36 0.72 -0.75 4.35 4.76 3hcpA1 LEU 74 HB2 0.14 -0.14 0.05 -0.04 1.64 1.65 3hcpA1 LEU 74 HB3 0.12 -0.03 -0.05 -0.04 1.64 1.65 3hcpA1 LEU 74 HG 0.16 0.15 -0.25 -0.04 1.64 1.66 3hcpA1 LEU 74 HD13 0.16 -0.02 -0.22 -0.04 0.93 0.81 3hcpA1 LEU 74 HD23 0.11 0.02 -0.12 -0.04 0.89 0.86 3hcpA1 ASN 75 H 0.17 0.67 0.35 -0.55 8.53 9.18 3hcpA1 ASN 75 HA -0.21 0.05 0.62 -0.75 4.76 4.47 3hcpA1 ASN 75 HB2 0.09 0.14 -0.39 -0.04 2.88 2.69 3hcpA1 ASN 75 HB3 0.46 0.00 -0.12 -0.04 2.79 3.09 3hcpA1 ASN 75 HD21 0.13 -0.04 -0.00 -0.04 7.03 7.08 3hcpA1 ASN 75 HD22 -0.05 0.12 -0.04 -0.04 7.74 7.73 3hcpA1 MET 76 H 0.25 0.17 0.17 -0.55 8.47 8.52 3hcpA1 MET 76 HA -0.01 0.04 0.64 -0.75 4.52 4.43 3hcpA1 MET 76 HB2 0.40 0.07 0.12 -0.04 2.15 2.70 3hcpA1 MET 76 HB3 0.29 0.02 0.16 -0.04 2.03 2.46 3hcpA1 MET 76 HG2 0.42 -0.12 0.16 -0.04 2.63 3.05 3hcpA1 MET 76 HG3 0.24 0.27 0.04 -0.04 2.56 3.07 3hcpA1 MET 76 HE3 0.38 0.03 0.00 -0.04 2.10 2.47 3hcpA1 GLY 77 H 0.01 -0.03 -0.19 -0.55 8.43 7.68 3hcpA1 GLY 77 HA2 -0.94 0.00 0.22 -0.51 4.01 2.78 3hcpA1 GLY 77 HA3 -0.83 0.15 0.50 -0.51 4.01 3.32 3hcpA1 GLY 78 H -0.49 0.30 0.11 -0.55 8.43 7.81 3hcpA1 GLY 78 HA2 -0.85 0.20 0.45 -0.51 4.01 3.31 3hcpA1 GLY 78 HA3 -0.32 -0.05 0.26 -0.51 4.01 3.39 3hcpA1 PRO 79 HA -0.25 0.04 0.42 -0.51 4.44 4.13 3hcpA1 PRO 79 HB2 -0.42 0.19 -0.07 -0.04 2.28 1.94 3hcpA1 PRO 79 HB3 -0.28 0.09 -0.30 -0.04 2.02 1.50 3hcpA1 PRO 79 HG2 -1.56 0.01 0.03 -0.04 2.03 0.47 3hcpA1 PRO 79 HG3 -0.60 0.07 0.01 -0.04 2.03 1.47 3hcpA1 PRO 79 HD2 -0.84 0.04 0.16 -0.04 3.68 3.00 3hcpA1 PRO 79 HD3 -1.97 0.19 0.08 -0.04 3.65 1.91 3hcpA1 GLU 80 H -0.11 0.14 0.27 -0.55 8.60 8.35 3hcpA1 GLU 80 HA -0.11 0.07 0.64 -0.75 4.29 4.12 3hcpA1 GLU 80 HB2 -0.02 -0.03 0.17 -0.04 2.09 2.17 3hcpA1 GLU 80 HB3 -0.03 0.06 0.09 -0.04 1.99 2.07 3hcpA1 GLU 80 HG2 -0.02 0.01 0.11 -0.04 2.34 2.40 3hcpA1 GLU 80 HG3 -0.03 0.03 0.14 -0.04 2.34 2.44 3hcpA1 THR 81 H -0.11 0.03 -0.01 -0.55 8.28 7.64 3hcpA1 THR 81 HA -0.07 0.55 0.88 -0.75 4.39 5.01 3hcpA1 THR 81 HB -0.03 0.03 0.19 -0.04 4.32 4.47 3hcpA1 THR 81 HG23 -0.02 0.04 -0.15 -0.04 1.22 1.04 3hcpA1 LEU 82 H -0.03 0.31 0.20 -0.55 8.37 8.30 3hcpA1 LEU 82 HA -0.07 0.08 0.37 -0.75 4.35 3.98 3hcpA1 LEU 82 HB2 -0.00 0.01 0.11 -0.04 1.64 1.71 3hcpA1 LEU 82 HB3 0.00 0.01 0.08 -0.04 1.64 1.69 3hcpA1 LEU 82 HG 0.00 0.08 0.12 -0.04 1.64 1.81 3hcpA1 LEU 82 HD13 0.01 0.01 0.02 -0.04 0.93 0.93 3hcpA1 LEU 82 HD23 0.03 0.01 -0.10 -0.04 0.89 0.79 3hcpA1 GLY 83 H -0.02 0.12 -0.15 -0.55 8.43 7.84 3hcpA1 GLY 83 HA2 0.02 0.13 0.48 -0.51 4.01 4.12 3hcpA1 GLY 83 HA3 0.01 0.09 0.28 -0.51 4.01 3.88 3hcpA1 ASP 84 H -0.04 0.36 -0.47 -0.55 8.40 7.70 3hcpA1 ASP 84 HA 0.05 0.17 0.71 -0.75 4.63 4.81 3hcpA1 ASP 84 HB2 -0.10 0.09 0.12 -0.04 2.71 2.78 3hcpA1 ASP 84 HB3 -0.01 -0.02 0.15 -0.04 2.70 2.77 3hcpA1 VAL 85 H -0.01 0.42 -0.27 -0.55 8.24 7.83 3hcpA1 VAL 85 HA 0.02 0.00 0.33 -0.75 4.13 3.74 3hcpA1 VAL 85 HB 0.05 0.15 0.17 -0.04 2.12 2.44 3hcpA1 VAL 85 HG13 0.13 -0.00 -0.07 -0.04 0.97 0.98 3hcpA1 VAL 85 HG23 -0.12 -0.00 0.01 -0.04 0.95 0.80 3hcpA1 HIS 86 H 0.16 0.20 -0.15 -0.55 8.41 8.08 3hcpA1 HIS 86 HA 0.07 0.10 0.26 -0.75 4.63 4.30 3hcpA1 HIS 86 HB2 0.04 0.04 0.08 -0.04 3.26 3.38 3hcpA1 HIS 86 HB3 0.04 0.02 0.09 -0.04 3.20 3.31 3hcpA1 HIS 86 HD2 0.03 0.04 -0.13 -0.04 6.97 6.87 3hcpA1 HIS 86 HE1 0.03 0.03 -0.06 -0.04 7.75 7.70 3hcpA1 ASP 87 H 0.18 0.17 -0.14 -0.55 8.40 8.06 3hcpA1 ASP 87 HA -0.03 0.07 0.50 -0.75 4.63 4.41 3hcpA1 ASP 87 HB2 0.12 0.03 0.10 -0.04 2.71 2.91 3hcpA1 ASP 87 HB3 0.08 0.03 0.04 -0.04 2.70 2.80 3hcpA1 PHE 88 H 0.17 0.39 -0.20 -0.55 8.34 8.15 3hcpA1 PHE 88 HA -0.01 0.29 0.55 -0.75 4.62 4.69 3hcpA1 PHE 88 HB2 -0.04 -0.06 0.04 -0.04 3.15 3.04 3hcpA1 PHE 88 HB3 -0.05 0.14 0.18 -0.04 3.06 3.28 3hcpA1 PHE 88 HD2 0.00 0.04 -0.16 -0.04 7.28 7.12 3hcpA1 PHE 88 HE2 0.07 0.04 -0.15 -0.04 7.38 7.30 3hcpA1 PHE 88 HZ 0.02 -0.03 -0.03 -0.04 7.32 7.24 3hcpA1 LEU 89 H 0.02 0.56 -0.06 -0.55 8.37 8.34 3hcpA1 LEU 89 HA -0.49 -0.01 0.39 -0.75 4.35 3.49 3hcpA1 LEU 89 HB2 -0.01 0.12 0.13 -0.04 1.64 1.84 3hcpA1 LEU 89 HB3 0.19 -0.04 0.02 -0.04 1.64 1.76 3hcpA1 LEU 89 HG 0.22 0.10 0.05 -0.04 1.64 1.97 3hcpA1 LEU 89 HD13 0.14 -0.00 -0.14 -0.04 0.93 0.89 3hcpA1 LEU 89 HD23 0.06 -0.02 -0.04 -0.04 0.89 0.85 3hcpA1 LEU 90 H -0.22 0.55 -0.07 -0.55 8.37 8.09 3hcpA1 LEU 90 HA -0.05 0.02 0.42 -0.75 4.35 3.98 3hcpA1 LEU 90 HB2 -0.34 0.02 0.10 -0.04 1.64 1.38 3hcpA1 LEU 90 HB3 -0.12 0.09 0.19 -0.04 1.64 1.76 3hcpA1 LEU 90 HG -0.01 0.02 -0.20 -0.04 1.64 1.40 3hcpA1 LEU 90 HD13 -0.00 -0.01 -0.09 -0.04 0.93 0.79 3hcpA1 LEU 90 HD23 0.08 -0.00 -0.01 -0.04 0.89 0.91 3hcpA1 ARG 91 H -0.12 0.61 -0.10 -0.55 8.46 8.30 3hcpA1 ARG 91 HA -0.02 0.00 0.39 -0.75 4.34 3.95 3hcpA1 ARG 91 HB2 -0.01 0.19 0.25 -0.04 1.90 2.28 3hcpA1 ARG 91 HB3 0.17 -0.03 0.07 -0.04 1.80 1.97 3hcpA1 ARG 91 HG2 0.03 -0.07 0.04 -0.04 1.67 1.62 3hcpA1 ARG 91 HG3 0.00 0.11 0.11 -0.04 1.67 1.84 3hcpA1 ARG 91 HD2 0.05 0.26 -0.09 -0.04 3.22 3.41 3hcpA1 ARG 91 HD3 0.04 -0.02 -0.02 -0.04 3.22 3.17 3hcpA1 LEU 92 H -0.60 0.45 -0.21 -0.55 8.37 7.46 3hcpA1 LEU 92 HA -1.34 -0.02 0.47 -0.75 4.35 2.71 3hcpA1 LEU 92 HB2 -1.53 0.02 0.11 -0.04 1.64 0.20 3hcpA1 LEU 92 HB3 -0.99 0.07 0.18 -0.04 1.64 0.86 3hcpA1 LEU 92 HG -0.87 -0.05 0.03 -0.04 1.64 0.72 3hcpA1 LEU 92 HD13 -0.64 -0.02 -0.02 -0.04 0.93 0.20 3hcpA1 LEU 92 HD23 -1.13 0.00 -0.22 -0.04 0.89 -0.51 3hcpA1 PHE 93 H -0.27 0.64 -0.02 -0.55 8.34 8.14 3hcpA1 PHE 93 HA -0.13 0.05 0.52 -0.75 4.62 4.31 3hcpA1 PHE 93 HB2 -0.12 0.10 0.15 -0.04 3.15 3.24 3hcpA1 PHE 93 HB3 -0.07 -0.07 0.10 -0.04 3.06 2.98 3hcpA1 PHE 93 HD2 -0.11 0.10 -0.02 -0.04 7.28 7.22 3hcpA1 PHE 93 HE2 -0.05 -0.03 -0.07 -0.04 7.38 7.19 3hcpA1 PHE 93 HZ -0.03 -0.03 -0.05 -0.04 7.32 7.17 3hcpA1 LEU 94 H -0.04 0.45 -0.33 -0.55 8.37 7.90 3hcpA1 LEU 94 HA 0.02 0.04 0.63 -0.75 4.35 4.30 3hcpA1 LEU 94 HB2 -0.00 0.12 0.09 -0.04 1.64 1.81 3hcpA1 LEU 94 HB3 0.02 -0.11 0.09 -0.04 1.64 1.59 3hcpA1 LEU 94 HG 0.01 0.09 -0.02 -0.04 1.64 1.68 3hcpA1 LEU 94 HD13 0.01 -0.03 -0.10 -0.04 0.93 0.77 3hcpA1 LEU 94 HD23 0.02 0.00 -0.01 -0.04 0.89 0.86 3hcpA1 ASP 95 H -0.06 0.43 -0.40 -0.55 8.40 7.82 3hcpA1 ASP 95 HA 0.04 0.02 0.44 -0.75 4.63 4.38 3hcpA1 ASP 95 HB2 0.19 0.18 0.16 -0.04 2.71 3.21 3hcpA1 ASP 95 HB3 0.00 0.10 0.29 -0.04 2.70 3.05 3hcpA1 ARG 96 H 0.02 0.21 0.29 -0.55 8.46 8.43 3hcpA1 ARG 96 HA 0.01 0.47 0.61 -0.75 4.34 4.67 3hcpA1 ARG 96 HB2 0.01 -0.03 0.13 -0.04 1.90 1.97 3hcpA1 ARG 96 HB3 0.01 -0.03 0.11 -0.04 1.80 1.85 3hcpA1 ARG 96 HG2 0.01 -0.02 0.10 -0.04 1.67 1.72 3hcpA1 ARG 96 HG3 0.01 0.15 0.02 -0.04 1.67 1.82 3hcpA1 ARG 96 HD2 0.01 0.00 0.08 -0.04 3.22 3.27 3hcpA1 ARG 96 HD3 0.01 -0.03 0.06 -0.04 3.22 3.22 3hcpA1 ASP 97 H 0.02 0.06 -0.19 -0.55 8.40 7.75 3hcpA1 ASP 97 HA -0.00 0.12 0.61 -0.75 4.63 4.60 3hcpA1 ASP 97 HB2 0.01 0.01 0.01 -0.04 2.71 2.69 3hcpA1 ASP 97 HB3 -0.01 -0.00 0.04 -0.04 2.70 2.68 3hcpA1 LEU 98 H -0.00 0.22 -0.37 -0.55 8.37 7.67 3hcpA1 LEU 98 HA -0.05 0.01 0.78 -0.75 4.35 4.34 3hcpA1 LEU 98 HB2 0.03 -0.05 0.10 -0.04 1.64 1.67 3hcpA1 LEU 98 HB3 -0.03 0.25 0.21 -0.04 1.64 2.03 3hcpA1 LEU 98 HG -0.07 0.02 -0.24 -0.04 1.64 1.31 3hcpA1 LEU 98 HD13 -0.05 -0.01 0.11 -0.04 0.93 0.94 3hcpA1 LEU 98 HD23 -0.18 0.04 0.03 -0.04 0.89 0.73 3hcpA1 MET 99 H -0.02 0.61 0.20 -0.55 8.47 8.73 3hcpA1 MET 99 HA -0.03 0.07 0.59 -0.75 4.52 4.40 3hcpA1 MET 99 HB2 0.01 -0.03 0.04 -0.04 2.15 2.13 3hcpA1 MET 99 HB3 -0.01 -0.01 -0.25 -0.04 2.03 1.72 3hcpA1 MET 99 HG2 0.01 0.11 -0.03 -0.04 2.63 2.68 3hcpA1 MET 99 HG3 0.05 -0.02 -0.42 -0.04 2.56 2.12 3hcpA1 MET 99 HE3 -0.08 -0.02 -0.10 -0.04 2.10 1.87 3hcpA1 THR 100 H -0.01 0.17 0.12 -0.55 8.28 8.01 3hcpA1 THR 100 HA 0.00 0.14 0.92 -0.75 4.39 4.71 3hcpA1 THR 100 HB -0.01 -0.03 0.13 -0.04 4.32 4.36 3hcpA1 THR 100 HG23 -0.00 -0.00 -0.15 -0.04 1.22 1.03 3hcpA1 LEU 101 H 0.01 0.22 0.16 -0.55 8.37 8.21 3hcpA1 LEU 101 HA 0.01 0.21 0.88 -0.75 4.35 4.69 3hcpA1 LEU 101 HB2 0.02 -0.07 0.01 -0.04 1.64 1.56 3hcpA1 LEU 101 HB3 0.01 0.12 -0.03 -0.04 1.64 1.70 3hcpA1 LEU 101 HG 0.05 -0.05 -0.32 -0.04 1.64 1.27 3hcpA1 LEU 101 HD13 0.05 0.02 -0.06 -0.04 0.93 0.90 3hcpA1 LEU 101 HD23 0.02 0.02 -0.02 -0.04 0.89 0.87 3hcpA1 PRO 102 HA 0.00 0.04 0.58 -0.51 4.44 4.55 3hcpA1 PRO 102 HB2 -0.00 0.04 -0.01 -0.04 2.28 2.27 3hcpA1 PRO 102 HB3 -0.00 0.05 0.12 -0.04 2.02 2.14 3hcpA1 PRO 102 HG2 -0.00 0.03 0.06 -0.04 2.03 2.08 3hcpA1 PRO 102 HG3 -0.00 0.07 0.07 -0.04 2.03 2.13 3hcpA1 PRO 102 HD2 0.00 0.10 0.23 -0.04 3.68 3.98 3hcpA1 PRO 102 HD3 0.00 0.16 0.14 -0.04 3.65 3.91 3hcpA1 ILE 103 H 0.00 0.15 0.19 -0.55 8.25 8.04 3hcpA1 ILE 103 HA 0.00 0.02 0.38 -0.75 4.18 3.84 3hcpA1 ILE 103 HB -0.00 -0.05 0.19 -0.04 1.89 1.99 3hcpA1 ILE 103 HG12 -0.00 -0.02 -0.27 -0.04 1.49 1.15 3hcpA1 ILE 103 HG13 -0.00 0.26 -0.38 -0.04 1.21 1.04 3hcpA1 ILE 103 HG23 0.00 0.02 0.07 -0.04 0.93 0.98 3hcpA1 ILE 103 HD13 -0.00 0.00 -0.03 -0.04 0.88 0.81 3hcpA1 GLN 104 H 0.01 0.18 -0.15 -0.55 8.47 7.97 3hcpA1 GLN 104 HA 0.01 0.10 0.19 -0.75 4.36 3.89 3hcpA1 GLN 104 HB2 0.01 0.22 0.12 -0.04 2.15 2.46 3hcpA1 GLN 104 HB3 0.01 -0.03 0.10 -0.04 2.02 2.05 3hcpA1 GLN 104 HG2 0.03 0.01 -0.04 -0.04 2.40 2.35 3hcpA1 GLN 104 HG3 0.03 -0.02 0.06 -0.04 2.39 2.41 3hcpA1 GLN 104 HE21 0.02 0.31 -0.23 -0.04 6.97 7.03 3hcpA1 GLN 104 HE22 0.04 0.54 -0.04 -0.04 7.69 8.19 3hcpA1 ASN 105 H 0.01 0.07 -0.12 -0.55 8.53 7.95 3hcpA1 ASN 105 HA 0.01 0.11 0.48 -0.75 4.76 4.61 3hcpA1 ASN 105 HB2 0.01 -0.03 0.02 -0.04 2.88 2.83 3hcpA1 ASN 105 HB3 0.01 0.05 0.05 -0.04 2.79 2.86 3hcpA1 ASN 105 HD21 0.01 0.03 0.03 -0.04 7.03 7.06 3hcpA1 ASN 105 HD22 0.01 0.01 0.02 -0.04 7.74 7.74 3hcpA1 LYS 106 H 0.00 0.30 -0.33 -0.55 8.42 7.84 3hcpA1 LYS 106 HA 0.00 0.14 0.76 -0.75 4.32 4.47 3hcpA1 LYS 106 HB2 -0.00 0.09 0.16 -0.04 1.87 2.08 3hcpA1 LYS 106 HB3 -0.00 -0.00 -0.03 -0.04 1.79 1.72 3hcpA1 LYS 106 HG2 0.00 0.00 0.01 -0.04 1.46 1.44 3hcpA1 LYS 106 HG3 0.00 0.03 0.02 -0.04 1.46 1.47 3hcpA1 LYS 106 HD2 0.00 -0.13 -0.12 -0.04 1.69 1.40 3hcpA1 LYS 106 HD3 0.00 -0.01 0.00 -0.04 1.68 1.63 3hcpA1 LYS 106 HE2 0.01 0.04 -0.05 -0.04 2.99 2.94 3hcpA1 LYS 106 HE3 0.00 -0.01 -0.05 -0.04 2.99 2.89 3hcpA1 LEU 107 H -0.01 0.43 0.12 -0.55 8.37 8.37 3hcpA1 LEU 107 HA -0.03 0.05 0.51 -0.75 4.35 4.12 3hcpA1 LEU 107 HB2 -0.01 0.15 0.05 -0.04 1.64 1.79 3hcpA1 LEU 107 HB3 -0.04 -0.04 -0.07 -0.04 1.64 1.44 3hcpA1 LEU 107 HG -0.03 -0.06 0.02 -0.04 1.64 1.52 3hcpA1 LEU 107 HD13 -0.01 0.01 -0.08 -0.04 0.93 0.81 3hcpA1 LEU 107 HD23 -0.01 0.09 -0.04 -0.04 0.89 0.88 3hcpA1 ALA 108 H -0.00 0.60 -0.05 -0.55 8.40 8.40 3hcpA1 ALA 108 HA -0.05 -0.02 0.37 -0.75 4.34 3.89 3hcpA1 ALA 108 HB3 0.05 0.06 -0.09 -0.04 1.41 1.38 3hcpA1 PRO 109 HA 0.02 -0.00 0.52 -0.51 4.44 4.46 3hcpA1 PRO 109 HB2 0.02 0.07 -0.03 -0.04 2.28 2.30 3hcpA1 PRO 109 HB3 0.06 -0.02 0.06 -0.04 2.02 2.08 3hcpA1 PRO 109 HG2 0.02 0.13 0.10 -0.04 2.03 2.23 3hcpA1 PRO 109 HG3 0.03 -0.01 0.05 -0.04 2.03 2.06 3hcpA1 PRO 109 HD2 0.00 0.10 -0.64 -0.04 3.68 3.10 3hcpA1 PRO 109 HD3 0.01 0.12 -0.05 -0.04 3.65 3.68 3hcpA1 ALA 110 H -0.03 0.34 -0.31 -0.55 8.40 7.85 3hcpA1 ALA 110 HA -0.01 0.04 0.51 -0.75 4.34 4.13 3hcpA1 ALA 110 HB3 -0.03 0.04 0.09 -0.04 1.41 1.47 3hcpA1 ILE 111 H -0.14 0.59 -0.03 -0.55 8.25 8.13 3hcpA1 ILE 111 HA -0.22 0.01 0.46 -0.75 4.18 3.69 3hcpA1 ILE 111 HB -0.61 0.09 0.15 -0.04 1.89 1.48 3hcpA1 ILE 111 HG12 -0.25 -0.05 0.01 -0.04 1.49 1.16 3hcpA1 ILE 111 HG13 -0.19 0.16 0.08 -0.04 1.21 1.22 3hcpA1 ILE 111 HG23 -1.10 -0.02 -0.06 -0.04 0.93 -0.29 3hcpA1 ILE 111 HD13 -0.23 -0.02 -0.08 -0.04 0.88 0.51 3hcpA1 ALA 112 H -0.13 0.72 -0.08 -0.55 8.40 8.37 3hcpA1 ALA 112 HA 0.03 -0.04 0.27 -0.75 4.34 3.84 3hcpA1 ALA 112 HB3 -0.13 0.04 -0.01 -0.04 1.41 1.27 3hcpA1 LYS 113 H 0.04 0.56 -0.17 -0.55 8.42 8.29 3hcpA1 LYS 113 HA 0.19 -0.05 0.42 -0.75 4.32 4.12 3hcpA1 LYS 113 HB2 0.04 0.14 0.20 -0.04 1.87 2.20 3hcpA1 LYS 113 HB3 0.04 -0.04 -0.01 -0.04 1.79 1.75 3hcpA1 LYS 113 HG2 0.13 -0.10 0.07 -0.04 1.46 1.51 3hcpA1 LYS 113 HG3 0.17 0.20 0.11 -0.04 1.46 1.90 3hcpA1 LYS 113 HD2 0.03 -0.03 0.00 -0.04 1.69 1.64 3hcpA1 LYS 113 HD3 0.03 0.02 -0.00 -0.04 1.68 1.68 3hcpA1 LYS 113 HE2 0.00 -0.01 -0.00 -0.04 2.99 2.94 3hcpA1 LYS 113 HE3 0.02 0.02 -0.01 -0.04 2.99 2.98 3hcpA1 ARG 114 H -0.02 0.49 -0.21 -0.55 8.46 8.16 3hcpA1 ARG 114 HA 0.00 0.01 0.41 -0.75 4.34 4.01 3hcpA1 ARG 114 HB2 -0.04 0.08 0.16 -0.04 1.90 2.07 3hcpA1 ARG 114 HB3 -0.06 0.09 0.18 -0.04 1.80 1.97 3hcpA1 ARG 114 HG2 -0.02 -0.04 -0.07 -0.04 1.67 1.50 3hcpA1 ARG 114 HG3 -0.02 -0.03 0.05 -0.04 1.67 1.64 3hcpA1 ARG 114 HD2 -0.06 -0.01 -0.01 -0.04 3.22 3.10 3hcpA1 ARG 114 HD3 -0.03 -0.04 -0.01 -0.04 3.22 3.10 3hcpA1 ARG 115 H -0.01 0.56 -0.11 -0.55 8.46 8.35 3hcpA1 ARG 115 HA 0.02 0.06 0.57 -0.75 4.34 4.25 3hcpA1 ARG 115 HB2 0.07 0.10 0.06 -0.04 1.90 2.08 3hcpA1 ARG 115 HB3 0.09 -0.12 0.09 -0.04 1.80 1.82 3hcpA1 ARG 115 HG2 0.01 -0.03 -0.03 -0.04 1.67 1.57 3hcpA1 ARG 115 HG3 -0.06 0.09 0.01 -0.04 1.67 1.66 3hcpA1 ARG 115 HD2 -0.04 -0.01 -0.02 -0.04 3.22 3.12 3hcpA1 ARG 115 HD3 0.05 0.01 -0.04 -0.04 3.22 3.20 3hcpA1 THR 116 H 0.06 0.46 -0.28 -0.55 8.28 7.97 3hcpA1 THR 116 HA 0.10 -0.09 0.32 -0.75 4.39 3.96 3hcpA1 THR 116 HB 0.10 0.22 0.17 -0.04 4.32 4.77 3hcpA1 THR 116 HG23 0.10 -0.05 -0.09 -0.04 1.22 1.14 3hcpA1 PRO 117 HA 0.03 0.01 0.41 -0.51 4.44 4.38 3hcpA1 PRO 117 HB2 0.02 0.04 0.05 -0.04 2.28 2.34 3hcpA1 PRO 117 HB3 0.02 0.01 0.07 -0.04 2.02 2.07 3hcpA1 PRO 117 HG2 0.02 0.10 0.09 -0.04 2.03 2.19 3hcpA1 PRO 117 HG3 0.03 -0.01 0.08 -0.04 2.03 2.08 3hcpA1 PRO 117 HD2 0.03 0.37 -0.10 -0.04 3.68 3.94 3hcpA1 PRO 117 HD3 0.05 0.21 0.14 -0.04 3.65 4.00 3hcpA1 LYS 118 H 0.02 0.28 -0.17 -0.55 8.42 7.99 3hcpA1 LYS 118 HA -0.01 0.05 0.51 -0.75 4.32 4.12 3hcpA1 LYS 118 HB2 0.01 0.03 0.11 -0.04 1.87 1.98 3hcpA1 LYS 118 HB3 0.02 0.14 0.13 -0.04 1.79 2.04 3hcpA1 LYS 118 HG2 -0.02 -0.05 -0.29 -0.04 1.46 1.06 3hcpA1 LYS 118 HG3 -0.01 -0.01 0.03 -0.04 1.46 1.42 3hcpA1 LYS 118 HD2 0.01 0.02 0.01 -0.04 1.69 1.69 3hcpA1 LYS 118 HD3 0.02 0.03 0.00 -0.04 1.68 1.70 3hcpA1 LYS 118 HE2 0.02 0.00 -0.01 -0.04 2.99 2.96 3hcpA1 LYS 118 HE3 0.00 -0.05 -0.05 -0.04 2.99 2.86 3hcpA1 ILE 119 H 0.05 0.54 -0.09 -0.55 8.25 8.20 3hcpA1 ILE 119 HA -0.01 0.01 0.47 -0.75 4.18 3.89 3hcpA1 ILE 119 HB 0.13 0.11 0.12 -0.04 1.89 2.20 3hcpA1 ILE 119 HG12 0.09 0.31 0.08 -0.04 1.49 1.93 3hcpA1 ILE 119 HG13 0.16 -0.03 -0.01 -0.04 1.21 1.28 3hcpA1 ILE 119 HG23 0.28 -0.03 -0.05 -0.04 0.93 1.08 3hcpA1 ILE 119 HD13 0.06 -0.03 -0.05 -0.04 0.88 0.82 3hcpA1 GLN 120 H 0.06 0.81 0.05 -0.55 8.47 8.85 3hcpA1 GLN 120 HA 0.10 -0.05 0.46 -0.75 4.36 4.11 3hcpA1 GLN 120 HB2 0.04 0.15 0.16 -0.04 2.15 2.46 3hcpA1 GLN 120 HB3 0.03 -0.03 -0.02 -0.04 2.02 1.96 3hcpA1 GLN 120 HG2 0.03 -0.04 0.15 -0.04 2.40 2.49 3hcpA1 GLN 120 HG3 0.05 -0.03 0.08 -0.04 2.39 2.46 3hcpA1 GLN 120 HE21 0.03 -0.01 -0.04 -0.04 6.97 6.90 3hcpA1 GLN 120 HE22 0.03 0.30 0.01 -0.04 7.69 7.99 3hcpA1 GLU 121 H -0.01 0.46 -0.35 -0.55 8.60 8.16 3hcpA1 GLU 121 HA -0.02 0.01 0.37 -0.75 4.29 3.90 3hcpA1 GLU 121 HB2 -0.01 0.04 0.12 -0.04 2.09 2.20 3hcpA1 GLU 121 HB3 -0.05 0.15 0.20 -0.04 1.99 2.24 3hcpA1 GLU 121 HG2 -0.01 0.00 0.00 -0.04 2.34 2.29 3hcpA1 GLU 121 HG3 -0.06 -0.02 -0.18 -0.04 2.34 2.05 3hcpA1 GLN 122 H -0.19 0.46 -0.09 -0.55 8.47 8.11 3hcpA1 GLN 122 HA -0.78 0.04 0.46 -0.75 4.36 3.33 3hcpA1 GLN 122 HB2 -0.38 0.13 0.19 -0.04 2.15 2.06 3hcpA1 GLN 122 HB3 -0.78 -0.12 0.01 -0.04 2.02 1.09 3hcpA1 GLN 122 HG2 -1.39 -0.04 0.04 -0.04 2.40 0.98 3hcpA1 GLN 122 HG3 -0.39 0.23 0.12 -0.04 2.39 2.31 3hcpA1 GLN 122 HE21 -0.03 -0.03 -0.03 -0.04 6.97 6.85 3hcpA1 GLN 122 HE22 -0.09 0.05 -0.02 -0.04 7.69 7.59 3hcpA1 TYR 123 H -0.01 0.53 -0.19 -0.55 8.29 8.08 3hcpA1 TYR 123 HA -0.07 -0.02 0.37 -0.75 4.56 4.09 3hcpA1 TYR 123 HB2 -0.06 0.15 0.09 -0.04 3.06 3.19 3hcpA1 TYR 123 HB3 -0.05 -0.06 -0.24 -0.04 2.98 2.59 3hcpA1 TYR 123 HD2 -0.07 0.14 -0.18 -0.04 7.15 7.00 3hcpA1 TYR 123 HE2 -0.11 -0.05 -0.11 -0.04 6.85 6.54 3hcpA1 ARG 124 H 0.03 0.61 -0.13 -0.55 8.46 8.42 3hcpA1 ARG 124 HA 0.04 -0.04 0.43 -0.75 4.34 4.01 3hcpA1 ARG 124 HB2 0.02 0.04 0.14 -0.04 1.90 2.05 3hcpA1 ARG 124 HB3 0.00 0.14 0.15 -0.04 1.80 2.06 3hcpA1 ARG 124 HG2 0.02 0.02 -0.07 -0.04 1.67 1.59 3hcpA1 ARG 124 HG3 0.02 -0.05 0.04 -0.04 1.67 1.64 3hcpA1 ARG 124 HD2 0.01 -0.01 -0.01 -0.04 3.22 3.17 3hcpA1 ARG 124 HD3 0.01 -0.03 -0.01 -0.04 3.22 3.15 3hcpA1 ARG 125 H -0.03 0.50 -0.18 -0.55 8.46 8.20 3hcpA1 ARG 125 HA 0.04 0.05 0.41 -0.75 4.34 4.09 3hcpA1 ARG 125 HB2 0.12 0.08 0.14 -0.04 1.90 2.21 3hcpA1 ARG 125 HB3 0.17 -0.04 0.12 -0.04 1.80 2.01 3hcpA1 ARG 125 HG2 0.00 0.21 0.11 -0.04 1.67 1.95 3hcpA1 ARG 125 HG3 0.13 -0.08 0.00 -0.04 1.67 1.68 3hcpA1 ARG 125 HD2 0.04 -0.01 -0.02 -0.04 3.22 3.19 3hcpA1 ARG 125 HD3 0.05 -0.03 -0.01 -0.04 3.22 3.20 3hcpA1 ILE 126 H 0.02 0.26 -0.48 -0.55 8.25 7.50 3hcpA1 ILE 126 HA 0.03 0.26 0.93 -0.75 4.18 4.65 3hcpA1 ILE 126 HB 0.02 -0.05 0.11 -0.04 1.89 1.93 3hcpA1 ILE 126 HG12 -0.08 0.03 0.03 -0.04 1.49 1.42 3hcpA1 ILE 126 HG13 0.07 0.04 -0.11 -0.04 1.21 1.17 3hcpA1 ILE 126 HG23 0.05 0.03 -0.29 -0.04 0.93 0.67 3hcpA1 ILE 126 HD13 0.03 -0.06 -0.09 -0.04 0.88 0.72 3hcpA1 GLY 127 H 0.03 0.46 -0.12 -0.55 8.43 8.26 3hcpA1 GLY 127 HA2 0.02 0.03 0.32 -0.51 4.01 3.87 3hcpA1 GLY 127 HA3 0.03 0.18 0.91 -0.51 4.01 4.61 3hcpA1 GLY 128 H 0.07 0.58 0.11 -0.55 8.43 8.64 3hcpA1 GLY 128 HA2 0.05 -0.08 0.02 -0.51 4.01 3.50 3hcpA1 GLY 128 HA3 0.02 0.11 0.42 -0.51 4.01 4.06 3hcpA1 GLY 129 H 0.12 0.27 -0.10 -0.55 8.43 8.18 3hcpA1 GLY 129 HA2 -0.14 -0.02 0.05 -0.51 4.01 3.39 3hcpA1 GLY 129 HA3 -0.04 0.37 0.37 -0.51 4.01 4.20 3hcpA1 SER 130 H -0.14 0.48 0.13 -0.55 8.46 8.38 3hcpA1 SER 130 HA 0.19 0.14 0.61 -0.75 4.49 4.67 3hcpA1 SER 130 HB2 0.11 0.01 -0.06 -0.04 3.95 3.97 3hcpA1 SER 130 HB3 -0.14 0.10 -0.26 -0.04 3.93 3.59 3hcpA1 PRO 131 HA -0.04 0.18 0.60 -0.51 4.44 4.67 3hcpA1 PRO 131 HB2 0.06 -0.04 0.08 -0.04 2.28 2.35 3hcpA1 PRO 131 HB3 0.03 0.16 0.05 -0.04 2.02 2.22 3hcpA1 PRO 131 HG2 0.30 0.12 -0.24 -0.04 2.03 2.17 3hcpA1 PRO 131 HG3 0.20 0.08 -0.07 -0.04 2.03 2.20 3hcpA1 PRO 131 HD2 0.14 -0.08 0.09 -0.04 3.68 3.79 3hcpA1 PRO 131 HD3 0.11 0.33 0.14 -0.04 3.65 4.19 3hcpA1 ILE 132 H 0.06 0.06 -0.43 -0.55 8.25 7.39 3hcpA1 ILE 132 HA 0.26 0.12 0.24 -0.75 4.18 4.04 3hcpA1 ILE 132 HB 0.08 0.04 0.03 -0.04 1.89 2.00 3hcpA1 ILE 132 HG12 -0.12 -0.12 -0.09 -0.04 1.49 1.12 3hcpA1 ILE 132 HG13 0.21 0.06 -0.30 -0.04 1.21 1.14 3hcpA1 ILE 132 HG23 -0.22 -0.01 -0.07 -0.04 0.93 0.59 3hcpA1 ILE 132 HD13 0.22 0.01 -0.03 -0.04 0.88 1.04 3hcpA1 LYS 133 H 0.07 0.18 -0.21 -0.55 8.42 7.91 3hcpA1 LYS 133 HA 0.45 0.07 0.35 -0.75 4.32 4.43 3hcpA1 LYS 133 HB2 0.36 0.01 0.07 -0.04 1.87 2.27 3hcpA1 LYS 133 HB3 0.13 0.05 0.05 -0.04 1.79 1.98 3hcpA1 LYS 133 HG2 0.13 0.02 -0.15 -0.04 1.46 1.42 3hcpA1 LYS 133 HG3 0.24 -0.02 0.05 -0.04 1.46 1.69 3hcpA1 LYS 133 HD2 0.28 0.08 0.05 -0.04 1.69 2.06 3hcpA1 LYS 133 HD3 0.13 0.01 -0.01 -0.04 1.68 1.77 3hcpA1 LYS 133 HE2 0.08 -0.00 -0.02 -0.04 2.99 3.00 3hcpA1 LYS 133 HE3 0.07 -0.01 0.02 -0.04 2.99 3.03 3hcpA1 ILE 134 H -0.02 0.12 -0.21 -0.55 8.25 7.58 3hcpA1 ILE 134 HA -0.08 0.08 0.45 -0.75 4.18 3.87 3hcpA1 ILE 134 HB -0.42 0.08 0.13 -0.04 1.89 1.64 3hcpA1 ILE 134 HG12 -0.15 0.05 0.03 -0.04 1.49 1.38 3hcpA1 ILE 134 HG13 -0.09 -0.10 0.03 -0.04 1.21 1.02 3hcpA1 ILE 134 HG23 -0.58 0.01 -0.12 -0.04 0.93 0.20 3hcpA1 ILE 134 HD13 -0.16 0.01 0.01 -0.04 0.88 0.70 3hcpA1 TRP 135 H 0.01 0.47 -0.10 -0.55 7.97 7.80 3hcpA1 TRP 135 HA 0.04 0.06 0.39 -0.75 4.62 4.35 3hcpA1 TRP 135 HB2 0.07 0.05 0.10 -0.04 3.23 3.40 3hcpA1 TRP 135 HB3 0.06 0.01 0.01 -0.04 3.23 3.26 3hcpA1 TRP 135 HD1 0.03 0.03 -0.09 -0.04 7.22 7.15 3hcpA1 TRP 135 HE1 0.01 0.02 0.01 -0.04 10.20 10.19 3hcpA1 TRP 135 HE3 0.04 0.06 -0.12 -0.04 7.59 7.52 3hcpA1 TRP 135 HZ2 0.00 0.06 -0.00 -0.04 7.44 7.46 3hcpA1 TRP 135 HZ3 0.03 0.06 -0.02 -0.04 7.13 7.16 3hcpA1 TRP 135 HH2 0.01 0.08 -0.00 -0.04 7.19 7.24 3hcpA1 THR 136 H 0.27 0.62 -0.09 -0.55 8.28 8.53 3hcpA1 THR 136 HA 0.15 0.01 0.42 -0.75 4.39 4.21 3hcpA1 THR 136 HB 0.23 0.04 0.10 -0.04 4.32 4.64 3hcpA1 THR 136 HG23 0.05 -0.01 -0.13 -0.04 1.22 1.10 3hcpA1 SER 137 H 0.09 0.68 -0.08 -0.55 8.46 8.60 3hcpA1 SER 137 HA -0.10 0.00 0.47 -0.75 4.49 4.11 3hcpA1 SER 137 HB2 0.03 0.10 0.19 -0.04 3.95 4.23 3hcpA1 SER 137 HB3 0.10 -0.02 0.03 -0.04 3.93 4.00 3hcpA1 LYS 138 H 0.04 0.56 -0.07 -0.55 8.42 8.39 3hcpA1 LYS 138 HA 0.02 0.02 0.39 -0.75 4.32 3.99 3hcpA1 LYS 138 HB2 0.24 0.07 0.15 -0.04 1.87 2.29 3hcpA1 LYS 138 HB3 0.18 -0.02 -0.02 -0.04 1.79 1.89 3hcpA1 LYS 138 HG2 0.03 -0.01 0.04 -0.04 1.46 1.47 3hcpA1 LYS 138 HG3 -0.03 0.04 0.08 -0.04 1.46 1.51 3hcpA1 LYS 138 HD2 -0.39 -0.02 -0.14 -0.04 1.69 1.10 3hcpA1 LYS 138 HD3 0.16 -0.04 -0.04 -0.04 1.68 1.73 3hcpA1 LYS 138 HE2 -0.32 -0.03 -0.03 -0.04 2.99 2.56 3hcpA1 LYS 138 HE3 -0.02 0.02 -0.01 -0.04 2.99 2.93 3hcpA1 GLN 139 H 0.10 0.61 -0.14 -0.55 8.47 8.50 3hcpA1 GLN 139 HA 0.04 0.00 0.47 -0.75 4.36 4.12 3hcpA1 GLN 139 HB2 0.07 0.08 0.14 -0.04 2.15 2.39 3hcpA1 GLN 139 HB3 0.04 -0.08 -0.03 -0.04 2.02 1.90 3hcpA1 GLN 139 HG2 0.38 -0.01 0.00 -0.04 2.40 2.73 3hcpA1 GLN 139 HG3 0.26 0.05 0.06 -0.04 2.39 2.72 3hcpA1 GLN 139 HE21 0.01 -0.11 -0.11 -0.04 6.97 6.72 3hcpA1 GLN 139 HE22 0.02 0.39 0.09 -0.04 7.69 8.15 3hcpA1 GLY 140 H -0.28 0.70 -0.09 -0.55 8.43 8.20 3hcpA1 GLY 140 HA2 -0.34 -0.02 0.45 -0.51 4.01 3.59 3hcpA1 GLY 140 HA3 -1.17 0.06 0.31 -0.51 4.01 2.69 3hcpA1 GLU 141 H -0.28 0.65 -0.09 -0.55 8.60 8.33 3hcpA1 GLU 141 HA 0.08 0.02 0.42 -0.75 4.29 4.06 3hcpA1 GLU 141 HB2 -0.01 0.11 0.17 -0.04 2.09 2.32 3hcpA1 GLU 141 HB3 0.03 -0.03 -0.03 -0.04 1.99 1.92 3hcpA1 GLU 141 HG2 0.13 -0.01 0.03 -0.04 2.34 2.45 3hcpA1 GLU 141 HG3 0.19 0.00 0.05 -0.04 2.34 2.54 3hcpA1 GLY 142 H -0.05 0.51 -0.12 -0.55 8.43 8.22 3hcpA1 GLY 142 HA2 -0.01 0.03 0.46 -0.51 4.01 3.98 3hcpA1 GLY 142 HA3 -0.02 0.05 0.31 -0.51 4.01 3.83 3hcpA1 MET 143 H -0.10 0.57 -0.13 -0.55 8.47 8.26 3hcpA1 MET 143 HA -0.11 0.04 0.46 -0.75 4.52 4.16 3hcpA1 MET 143 HB2 -0.14 0.04 0.13 -0.04 2.15 2.14 3hcpA1 MET 143 HB3 -0.09 0.13 0.15 -0.04 2.03 2.18 3hcpA1 MET 143 HG2 -0.08 -0.01 -0.29 -0.04 2.63 2.21 3hcpA1 MET 143 HG3 -0.10 -0.11 -0.28 -0.04 2.56 2.04 3hcpA1 MET 143 HE3 0.05 0.01 -0.04 -0.04 2.10 2.07 3hcpA1 VAL 144 H -0.02 0.57 -0.16 -0.55 8.24 8.08 3hcpA1 VAL 144 HA -0.02 -0.02 0.31 -0.75 4.13 3.64 3hcpA1 VAL 144 HB 0.09 0.12 0.16 -0.04 2.12 2.44 3hcpA1 VAL 144 HG13 0.08 0.00 -0.14 -0.04 0.97 0.87 3hcpA1 VAL 144 HG23 0.16 -0.03 -0.11 -0.04 0.95 0.93 3hcpA1 LYS 145 H -0.01 0.49 -0.17 -0.55 8.42 8.17 3hcpA1 LYS 145 HA 0.01 0.03 0.39 -0.75 4.32 4.00 3hcpA1 LYS 145 HB2 0.01 0.07 0.15 -0.04 1.87 2.06 3hcpA1 LYS 145 HB3 -0.01 0.08 0.16 -0.04 1.79 1.98 3hcpA1 LYS 145 HG2 -0.01 -0.02 -0.13 -0.04 1.46 1.26 3hcpA1 LYS 145 HG3 0.00 -0.01 0.05 -0.04 1.46 1.46 3hcpA1 LYS 145 HD2 0.00 -0.02 0.00 -0.04 1.69 1.63 3hcpA1 LYS 145 HD3 0.00 -0.03 -0.01 -0.04 1.68 1.61 3hcpA1 LYS 145 HE2 0.01 0.07 -0.00 -0.04 2.99 3.02 3hcpA1 LYS 145 HE3 0.01 -0.04 -0.01 -0.04 2.99 2.91 3hcpA1 LEU 146 H -0.05 0.46 -0.22 -0.55 8.37 8.02 3hcpA1 LEU 146 HA -0.05 0.04 0.51 -0.75 4.35 4.09 3hcpA1 LEU 146 HB2 -0.09 0.13 0.13 -0.04 1.64 1.77 3hcpA1 LEU 146 HB3 -0.09 -0.08 0.01 -0.04 1.64 1.44 3hcpA1 LEU 146 HG -0.05 0.19 0.05 -0.04 1.64 1.79 3hcpA1 LEU 146 HD13 -0.06 -0.01 -0.16 -0.04 0.93 0.65 3hcpA1 LEU 146 HD23 -0.04 -0.01 -0.02 -0.04 0.89 0.78 3hcpA1 LEU 147 H -0.13 0.54 -0.10 -0.55 8.37 8.13 3hcpA1 LEU 147 HA -0.25 -0.03 0.38 -0.75 4.35 3.70 3hcpA1 LEU 147 HB2 -0.35 0.07 0.12 -0.04 1.64 1.44 3hcpA1 LEU 147 HB3 -1.22 0.00 -0.09 -0.04 1.64 0.30 3hcpA1 LEU 147 HG -0.21 0.01 0.03 -0.04 1.64 1.43 3hcpA1 LEU 147 HD13 -0.23 -0.01 -0.15 -0.04 0.93 0.50 3hcpA1 LEU 147 HD23 -0.23 -0.01 -0.03 -0.04 0.89 0.58 3hcpA1 ASP 148 H -0.01 0.61 -0.11 -0.55 8.40 8.35 3hcpA1 ASP 148 HA 0.21 0.02 0.44 -0.75 4.63 4.55 3hcpA1 ASP 148 HB2 0.04 0.14 0.13 -0.04 2.71 2.98 3hcpA1 ASP 148 HB3 0.05 -0.01 0.03 -0.04 2.70 2.73 3hcpA1 GLU 149 H -0.03 0.27 -0.38 -0.55 8.60 7.90 3hcpA1 GLU 149 HA -0.01 0.12 0.71 -0.75 4.29 4.35 3hcpA1 GLU 149 HB2 -0.05 0.08 0.07 -0.04 2.09 2.15 3hcpA1 GLU 149 HB3 -0.03 -0.06 0.04 -0.04 1.99 1.90 3hcpA1 GLU 149 HG2 -0.02 0.22 0.08 -0.04 2.34 2.58 3hcpA1 GLU 149 HG3 -0.02 -0.07 0.02 -0.04 2.34 2.23 3hcpA1 LEU 150 H -0.13 0.40 0.01 -0.55 8.37 8.11 3hcpA1 LEU 150 HA -0.20 0.03 0.49 -0.75 4.35 3.92 3hcpA1 LEU 150 HB2 -0.36 0.02 0.06 -0.04 1.64 1.32 3hcpA1 LEU 150 HB3 -0.96 -0.07 0.00 -0.04 1.64 0.57 3hcpA1 LEU 150 HG -0.16 0.24 0.00 -0.04 1.64 1.68 3hcpA1 LEU 150 HD13 -0.16 -0.04 -0.18 -0.04 0.93 0.50 3hcpA1 LEU 150 HD23 -0.15 -0.02 -0.02 -0.04 0.89 0.66 3hcpA1 SER 151 H -0.04 0.48 -0.33 -0.55 8.46 8.01 3hcpA1 SER 151 HA 0.05 0.15 0.82 -0.75 4.49 4.76 3hcpA1 SER 151 HB2 0.09 -0.01 -0.24 -0.04 3.95 3.75 3hcpA1 SER 151 HB3 0.11 0.07 0.04 -0.04 3.93 4.11 3hcpA1 PRO 152 HA 0.03 0.15 0.41 -0.51 4.44 4.52 3hcpA1 PRO 152 HB2 0.01 0.01 0.00 -0.04 2.28 2.26 3hcpA1 PRO 152 HB3 0.01 0.09 0.11 -0.04 2.02 2.19 3hcpA1 PRO 152 HG2 0.02 -0.03 0.03 -0.04 2.03 2.01 3hcpA1 PRO 152 HG3 0.01 0.05 0.03 -0.04 2.03 2.08 3hcpA1 PRO 152 HD2 0.03 0.12 0.02 -0.04 3.68 3.80 3hcpA1 PRO 152 HD3 -0.00 0.29 -0.31 -0.04 3.65 3.58 3hcpA1 ASN 153 H 0.03 0.08 -0.33 -0.55 8.53 7.77 3hcpA1 ASN 153 HA -0.01 0.14 0.48 -0.75 4.76 4.62 3hcpA1 ASN 153 HB2 0.03 -0.02 0.00 -0.04 2.88 2.84 3hcpA1 ASN 153 HB3 0.00 0.04 0.03 -0.04 2.79 2.82 3hcpA1 ASN 153 HD21 0.01 -0.02 -0.01 -0.04 7.03 6.97 3hcpA1 ASN 153 HD22 0.02 0.02 -0.01 -0.04 7.74 7.73 3hcpA1 THR 154 H 0.03 0.25 -0.30 -0.55 8.28 7.71 3hcpA1 THR 154 HA -0.07 0.24 0.84 -0.75 4.39 4.65 3hcpA1 THR 154 HB -0.02 -0.05 0.03 -0.04 4.32 4.24 3hcpA1 THR 154 HG23 0.03 -0.02 -0.16 -0.04 1.22 1.03 3hcpA1 ALA 155 H -0.09 0.18 -0.29 -0.55 8.40 7.65 3hcpA1 ALA 155 HA -0.56 -0.12 0.25 -0.75 4.34 3.16 3hcpA1 ALA 155 HB3 0.00 0.04 0.11 -0.04 1.41 1.52 3hcpA1 PRO 156 HA -0.05 -0.03 0.40 -0.51 4.44 4.26 3hcpA1 PRO 156 HB2 -0.04 -0.04 -0.11 -0.04 2.28 2.05 3hcpA1 PRO 156 HB3 -0.02 0.03 0.02 -0.04 2.02 2.01 3hcpA1 PRO 156 HG2 -0.03 0.19 -0.32 -0.04 2.03 1.82 3hcpA1 PRO 156 HG3 -0.03 -0.02 -0.04 -0.04 2.03 1.90 3hcpA1 PRO 156 HD2 -0.07 0.11 0.28 -0.04 3.68 3.97 3hcpA1 PRO 156 HD3 -0.05 0.15 0.19 -0.04 3.65 3.89 3hcpA1 HIS 157 H 0.12 0.08 0.15 -0.55 8.41 8.22 3hcpA1 HIS 157 HA 0.02 0.30 0.98 -0.75 4.63 5.17 3hcpA1 HIS 157 HB2 0.01 -0.06 0.06 -0.04 3.26 3.23 3hcpA1 HIS 157 HB3 0.03 -0.00 -0.01 -0.04 3.20 3.18 3hcpA1 HIS 157 HD2 0.01 -0.01 -0.15 -0.04 6.97 6.78 3hcpA1 HIS 157 HE1 -0.02 0.26 -0.26 -0.04 7.75 7.69 3hcpA1 LYS 158 H 0.11 0.71 0.35 -0.55 8.42 9.04 3hcpA1 LYS 158 HA -0.05 0.09 0.73 -0.75 4.32 4.34 3hcpA1 LYS 158 HB2 -0.07 0.07 -0.11 -0.04 1.87 1.71 3hcpA1 LYS 158 HB3 -0.02 -0.03 -0.00 -0.04 1.79 1.70 3hcpA1 LYS 158 HG2 -0.83 0.12 -0.16 -0.04 1.46 0.55 3hcpA1 LYS 158 HG3 -0.34 -0.03 0.08 -0.04 1.46 1.12 3hcpA1 LYS 158 HD2 -0.17 0.05 -0.03 -0.04 1.69 1.51 3hcpA1 LYS 158 HD3 -0.27 -0.01 -0.10 -0.04 1.68 1.25 3hcpA1 LYS 158 HE2 -0.80 -0.02 -0.05 -0.04 2.99 2.07 3hcpA1 LYS 158 HE3 -0.37 -0.03 -0.00 -0.04 2.99 2.55 3hcpA1 TYR 159 H -0.12 0.15 0.13 -0.55 8.29 7.90 3hcpA1 TYR 159 HA 0.07 0.22 1.09 -0.75 4.56 5.19 3hcpA1 TYR 159 HB2 0.02 0.03 0.13 -0.04 3.06 3.19 3hcpA1 TYR 159 HB3 -0.01 0.02 0.06 -0.04 2.98 3.02 3hcpA1 TYR 159 HD2 -0.04 0.04 -0.25 -0.04 7.15 6.86 3hcpA1 TYR 159 HE2 -0.04 -0.02 -0.09 -0.04 6.85 6.65 3hcpA1 TYR 160 H 0.32 0.77 0.38 -0.55 8.29 9.21 3hcpA1 TYR 160 HA -0.13 0.17 0.79 -0.75 4.56 4.63 3hcpA1 TYR 160 HB2 0.02 -0.09 -0.06 -0.04 3.06 2.90 3hcpA1 TYR 160 HB3 -0.03 0.01 -0.05 -0.04 2.98 2.87 3hcpA1 TYR 160 HD2 -0.03 -0.06 -0.21 -0.04 7.15 6.81 3hcpA1 TYR 160 HE2 -0.04 0.04 -0.20 -0.04 6.85 6.60 3hcpA1 ILE 161 H 0.02 0.17 0.09 -0.55 8.25 7.99 3hcpA1 ILE 161 HA -0.04 0.19 0.92 -0.75 4.18 4.50 3hcpA1 ILE 161 HB -0.20 -0.00 0.14 -0.04 1.89 1.79 3hcpA1 ILE 161 HG12 0.01 0.03 -0.11 -0.04 1.49 1.38 3hcpA1 ILE 161 HG13 0.23 -0.01 -0.15 -0.04 1.21 1.24 3hcpA1 ILE 161 HG23 -1.08 -0.01 -0.16 -0.04 0.93 -0.36 3hcpA1 ILE 161 HD13 0.06 -0.01 -0.06 -0.04 0.88 0.83 3hcpA1 GLY 162 H -0.06 0.71 0.11 -0.55 8.43 8.65 3hcpA1 GLY 162 HA2 -0.04 0.23 0.59 -0.51 4.01 4.28 3hcpA1 GLY 162 HA3 0.02 -0.05 0.24 -0.51 4.01 3.71 3hcpA1 PHE 163 H -0.03 0.82 0.06 -0.55 8.34 8.63 3hcpA1 PHE 163 HA 0.02 0.21 0.70 -0.75 4.62 4.79 3hcpA1 PHE 163 HB2 0.05 0.35 -0.14 -0.04 3.15 3.36 3hcpA1 PHE 163 HB3 0.06 -0.12 -0.18 -0.04 3.06 2.77 3hcpA1 PHE 163 HD2 0.06 0.13 -0.36 -0.04 7.28 7.08 3hcpA1 PHE 163 HE2 0.07 0.01 -0.10 -0.04 7.38 7.32 3hcpA1 PHE 163 HZ 0.08 -0.03 -0.20 -0.04 7.32 7.12 3hcpA1 ARG 164 H 0.05 0.29 0.35 -0.55 8.46 8.59 3hcpA1 ARG 164 HA -0.15 0.01 0.39 -0.75 4.34 3.84 3hcpA1 ARG 164 HB2 -0.26 -0.02 0.08 -0.04 1.90 1.66 3hcpA1 ARG 164 HB3 -1.05 -0.00 0.19 -0.04 1.80 0.89 3hcpA1 ARG 164 HG2 -0.65 -0.01 -0.04 -0.04 1.67 0.93 3hcpA1 ARG 164 HG3 -0.87 0.06 -0.07 -0.04 1.67 0.75 3hcpA1 ARG 164 HD2 -0.15 -0.01 0.03 -0.04 3.22 3.04 3hcpA1 ARG 164 HD3 -0.13 -0.05 -0.11 -0.04 3.22 2.88 3hcpA1 TYR 165 H 0.04 0.33 0.05 -0.55 8.29 8.16 3hcpA1 TYR 165 HA -0.01 0.27 0.94 -0.75 4.56 4.99 3hcpA1 TYR 165 HB2 0.11 0.01 -0.01 -0.04 3.06 3.12 3hcpA1 TYR 165 HB3 -0.24 0.11 0.16 -0.04 2.98 2.97 3hcpA1 TYR 165 HD2 -0.04 0.06 -0.18 -0.04 7.15 6.94 3hcpA1 TYR 165 HE2 -0.07 0.00 -0.01 -0.04 6.85 6.72 3hcpA1 VAL 166 H 0.18 0.17 -0.13 -0.55 8.24 7.91 3hcpA1 VAL 166 HA 0.02 0.16 0.62 -0.75 4.13 4.17 3hcpA1 VAL 166 HB 0.08 0.01 0.04 -0.04 2.12 2.21 3hcpA1 VAL 166 HG13 0.18 -0.01 -0.34 -0.04 0.97 0.75 3hcpA1 VAL 166 HG23 -0.01 0.03 -0.18 -0.04 0.95 0.75 3hcpA1 HIS 167 H 0.05 0.10 0.07 -0.55 8.41 8.08 3hcpA1 HIS 167 HA 0.12 -0.07 0.49 -0.75 4.63 4.42 3hcpA1 HIS 167 HB2 0.09 -0.00 0.07 -0.04 3.26 3.38 3hcpA1 HIS 167 HB3 0.07 0.07 0.05 -0.04 3.20 3.35 3hcpA1 HIS 167 HD2 0.07 -0.02 0.04 -0.04 6.97 7.01 3hcpA1 HIS 167 HE1 0.05 0.05 -0.02 -0.04 7.75 7.78 3hcpA1 PRO 168 HA 0.21 -0.05 0.43 -0.51 4.44 4.52 3hcpA1 PRO 168 HB2 0.02 0.16 0.03 -0.04 2.28 2.45 3hcpA1 PRO 168 HB3 0.05 0.03 0.10 -0.04 2.02 2.16 3hcpA1 PRO 168 HG2 -0.18 0.08 0.10 -0.04 2.03 1.99 3hcpA1 PRO 168 HG3 -0.04 0.02 0.12 -0.04 2.03 2.10 3hcpA1 PRO 168 HD2 0.06 0.04 0.34 -0.04 3.68 4.07 3hcpA1 PRO 168 HD3 0.10 0.09 0.13 -0.04 3.65 3.93 3hcpA1 LEU 169 H 0.16 0.03 0.14 -0.55 8.37 8.16 3hcpA1 LEU 169 HA 0.07 0.50 0.54 -0.75 4.35 4.71 3hcpA1 LEU 169 HB2 0.07 -0.14 0.09 -0.04 1.64 1.61 3hcpA1 LEU 169 HB3 0.02 0.02 0.07 -0.04 1.64 1.71 3hcpA1 LEU 169 HG -0.11 -0.13 -0.27 -0.04 1.64 1.09 3hcpA1 LEU 169 HD13 -0.03 0.01 -0.07 -0.04 0.93 0.80 3hcpA1 LEU 169 HD23 -0.02 0.08 -0.33 -0.04 0.89 0.58 3hcpA1 THR 170 H 0.01 0.51 0.11 -0.55 8.28 8.36 3hcpA1 THR 170 HA -0.00 0.02 0.36 -0.75 4.39 4.01 3hcpA1 THR 170 HB -0.04 -0.01 -0.01 -0.04 4.32 4.22 3hcpA1 THR 170 HG23 -0.02 0.03 -0.11 -0.04 1.22 1.08 3hcpA1 GLU 171 H -0.03 0.10 -0.26 -0.55 8.60 7.87 3hcpA1 GLU 171 HA -0.37 0.11 0.31 -0.75 4.29 3.59 3hcpA1 GLU 171 HB2 0.04 -0.06 0.02 -0.04 2.09 2.05 3hcpA1 GLU 171 HB3 0.12 0.08 -0.01 -0.04 1.99 2.14 3hcpA1 GLU 171 HG2 0.12 0.07 -0.00 -0.04 2.34 2.49 3hcpA1 GLU 171 HG3 0.07 0.07 -0.01 -0.04 2.34 2.43 3hcpA1 GLU 172 H 0.00 0.06 -0.25 -0.55 8.60 7.87 3hcpA1 GLU 172 HA 0.00 0.09 0.45 -0.75 4.29 4.08 3hcpA1 GLU 172 HB2 0.06 0.04 0.11 -0.04 2.09 2.27 3hcpA1 GLU 172 HB3 0.05 0.05 0.05 -0.04 1.99 2.10 3hcpA1 GLU 172 HG2 0.08 0.09 0.02 -0.04 2.34 2.49 3hcpA1 GLU 172 HG3 0.09 -0.08 0.05 -0.04 2.34 2.36 3hcpA1 ALA 173 H -0.02 0.53 -0.22 -0.55 8.40 8.14 3hcpA1 ALA 173 HA 0.04 0.02 0.35 -0.75 4.34 4.00 3hcpA1 ALA 173 HB3 0.02 0.08 -0.07 -0.04 1.41 1.40 3hcpA1 ILE 174 H -0.18 0.50 -0.12 -0.55 8.25 7.90 3hcpA1 ILE 174 HA -0.03 0.02 0.35 -0.75 4.18 3.76 3hcpA1 ILE 174 HB -0.89 0.07 0.09 -0.04 1.89 1.12 3hcpA1 ILE 174 HG12 0.15 -0.02 -0.04 -0.04 1.49 1.54 3hcpA1 ILE 174 HG13 -0.11 0.12 0.00 -0.04 1.21 1.18 3hcpA1 ILE 174 HG23 -0.27 0.01 -0.13 -0.04 0.93 0.49 3hcpA1 ILE 174 HD13 -0.41 -0.02 -0.09 -0.04 0.88 0.32 3hcpA1 GLU 175 H -0.26 0.50 -0.20 -0.55 8.60 8.10 3hcpA1 GLU 175 HA 0.02 0.02 0.39 -0.75 4.29 3.97 3hcpA1 GLU 175 HB2 -0.02 0.11 0.15 -0.04 2.09 2.28 3hcpA1 GLU 175 HB3 -0.00 0.10 0.13 -0.04 1.99 2.18 3hcpA1 GLU 175 HG2 0.05 -0.01 -0.06 -0.04 2.34 2.29 3hcpA1 GLU 175 HG3 0.11 0.01 0.03 -0.04 2.34 2.45 3hcpA1 GLU 176 H -0.03 0.45 -0.25 -0.55 8.60 8.22 3hcpA1 GLU 176 HA 0.04 0.02 0.39 -0.75 4.29 3.98 3hcpA1 GLU 176 HB2 0.06 -0.02 0.08 -0.04 2.09 2.17 3hcpA1 GLU 176 HB3 0.12 0.04 0.10 -0.04 1.99 2.21 3hcpA1 GLU 176 HG2 0.21 0.03 -0.13 -0.04 2.34 2.42 3hcpA1 GLU 176 HG3 0.08 -0.02 0.01 -0.04 2.34 2.37 3hcpA1 MET 177 H -0.22 0.64 -0.08 -0.55 8.47 8.26 3hcpA1 MET 177 HA -0.37 0.03 0.42 -0.75 4.52 3.84 3hcpA1 MET 177 HB2 -0.22 0.07 0.07 -0.04 2.15 2.03 3hcpA1 MET 177 HB3 -0.41 -0.03 -0.09 -0.04 2.03 1.46 3hcpA1 MET 177 HG2 -2.21 -0.04 -0.10 -0.04 2.63 0.23 3hcpA1 MET 177 HG3 -0.88 0.26 -0.02 -0.04 2.56 1.88 3hcpA1 MET 177 HE3 -0.37 -0.01 -0.18 -0.04 2.10 1.50 3hcpA1 GLU 178 H -0.02 0.62 -0.13 -0.55 8.60 8.53 3hcpA1 GLU 178 HA 0.03 0.03 0.43 -0.75 4.29 4.03 3hcpA1 GLU 178 HB2 0.09 0.10 0.14 -0.04 2.09 2.38 3hcpA1 GLU 178 HB3 0.11 -0.02 0.01 -0.04 1.99 2.06 3hcpA1 GLU 178 HG2 0.20 -0.04 -0.01 -0.04 2.34 2.45 3hcpA1 GLU 178 HG3 0.24 -0.01 -0.07 -0.04 2.34 2.47 3hcpA1 ARG 179 H 0.03 0.51 -0.07 -0.55 8.46 8.38 3hcpA1 ARG 179 HA 0.03 0.01 0.41 -0.75 4.34 4.04 3hcpA1 ARG 179 HB2 0.04 0.07 -0.00 -0.04 1.90 1.96 3hcpA1 ARG 179 HB3 0.03 -0.07 0.06 -0.04 1.80 1.78 3hcpA1 ARG 179 HG2 0.03 0.56 0.17 -0.04 1.67 2.39 3hcpA1 ARG 179 HG3 0.03 -0.12 -0.03 -0.04 1.67 1.51 3hcpA1 ARG 179 HD2 0.03 -0.03 0.01 -0.04 3.22 3.19 3hcpA1 ARG 179 HD3 0.05 -0.02 -0.01 -0.04 3.22 3.20 3hcpA1 ASP 180 H 0.03 0.35 -0.45 -0.55 8.40 7.77 3hcpA1 ASP 180 HA 0.04 0.01 0.43 -0.75 4.63 4.35 3hcpA1 ASP 180 HB2 0.09 0.08 0.11 -0.04 2.71 2.95 3hcpA1 ASP 180 HB3 0.09 -0.02 0.01 -0.04 2.70 2.74 3hcpA1 GLY 181 H 0.01 0.34 -0.49 -0.55 8.43 7.75 3hcpA1 GLY 181 HA2 0.00 0.05 0.26 -0.51 4.01 3.80 3hcpA1 GLY 181 HA3 0.00 -0.02 0.22 -0.51 4.01 3.70 3hcpA1 LEU 182 H -0.03 0.11 -0.16 -0.55 8.37 7.74 3hcpA1 LEU 182 HA -0.03 0.22 0.39 -0.75 4.35 4.18 3hcpA1 LEU 182 HB2 -0.11 -0.03 -0.09 -0.04 1.64 1.37 3hcpA1 LEU 182 HB3 -0.11 -0.09 -0.20 -0.04 1.64 1.19 3hcpA1 LEU 182 HG -0.03 -0.06 -0.27 -0.04 1.64 1.25 3hcpA1 LEU 182 HD13 0.08 0.05 -0.36 -0.04 0.93 0.65 3hcpA1 LEU 182 HD23 -0.16 -0.01 -0.08 -0.04 0.89 0.59 3hcpA1 GLU 183 H -0.05 0.46 0.36 -0.55 8.60 8.81 3hcpA1 GLU 183 HA -0.05 0.16 0.84 -0.75 4.29 4.48 3hcpA1 GLU 183 HB2 -0.05 0.12 0.20 -0.04 2.09 2.32 3hcpA1 GLU 183 HB3 -0.04 -0.08 0.07 -0.04 1.99 1.89 3hcpA1 GLU 183 HG2 -0.03 -0.03 0.09 -0.04 2.34 2.33 3hcpA1 GLU 183 HG3 -0.03 0.10 0.11 -0.04 2.34 2.47 3hcpA1 ARG 184 H -0.09 0.37 0.20 -0.55 8.46 8.38 3hcpA1 ARG 184 HA -0.14 0.00 0.90 -0.75 4.34 4.35 3hcpA1 ARG 184 HB2 -0.05 0.06 -0.15 -0.04 1.90 1.72 3hcpA1 ARG 184 HB3 -0.05 0.00 0.03 -0.04 1.80 1.74 3hcpA1 ARG 184 HG2 -0.01 -0.10 -0.23 -0.04 1.67 1.30 3hcpA1 ARG 184 HG3 -0.05 0.07 -0.20 -0.04 1.67 1.45 3hcpA1 ARG 184 HD2 -0.02 0.04 -0.08 -0.04 3.22 3.12 3hcpA1 ARG 184 HD3 0.00 0.00 -0.11 -0.04 3.22 3.07 3hcpA1 ALA 185 H -0.33 0.89 0.27 -0.55 8.40 8.68 3hcpA1 ALA 185 HA -0.34 0.16 0.90 -0.75 4.34 4.31 3hcpA1 ALA 185 HB3 -1.56 -0.01 -0.07 -0.04 1.41 -0.27 3hcpA1 ILE 186 H -0.06 0.61 0.23 -0.55 8.25 8.49 3hcpA1 ILE 186 HA 0.20 0.28 0.93 -0.75 4.18 4.83 3hcpA1 ILE 186 HB 0.05 -0.05 0.14 -0.04 1.89 1.99 3hcpA1 ILE 186 HG12 0.22 0.07 -0.21 -0.04 1.49 1.53 3hcpA1 ILE 186 HG13 0.06 -0.06 -0.45 -0.04 1.21 0.72 3hcpA1 ILE 186 HG23 -0.17 -0.02 -0.32 -0.04 0.93 0.38 3hcpA1 ILE 186 HD13 0.10 0.00 -0.16 -0.04 0.88 0.79 3hcpA1 ALA 187 H 0.50 0.69 0.28 -0.55 8.40 9.33 3hcpA1 ALA 187 HA 0.39 0.08 0.71 -0.75 4.34 4.77 3hcpA1 ALA 187 HB3 0.38 -0.01 0.13 -0.04 1.41 1.88 3hcpA1 PHE 188 H 0.30 0.87 0.27 -0.55 8.34 9.21 3hcpA1 PHE 188 HA -0.00 0.12 0.79 -0.75 4.62 4.77 3hcpA1 PHE 188 HB2 -0.04 0.01 -0.15 -0.04 3.15 2.94 3hcpA1 PHE 188 HB3 0.02 -0.03 -0.00 -0.04 3.06 3.00 3hcpA1 PHE 188 HD2 -0.08 0.06 -0.08 -0.04 7.28 7.13 3hcpA1 PHE 188 HE2 -0.83 -0.01 -0.09 -0.04 7.38 6.41 3hcpA1 PHE 188 HZ -1.08 -0.06 -0.05 -0.04 7.32 6.09 3hcpA1 THR 189 H 0.38 0.54 0.20 -0.55 8.28 8.86 3hcpA1 THR 189 HA 0.18 -0.06 0.52 -0.75 4.39 4.28 3hcpA1 THR 189 HB 0.24 0.02 0.13 -0.04 4.32 4.67 3hcpA1 THR 189 HG23 0.45 0.16 -0.15 -0.04 1.22 1.63 3hcpA1 GLN 190 H -0.01 0.61 0.35 -0.55 8.47 8.88 3hcpA1 GLN 190 HA 0.22 0.22 0.76 -0.75 4.36 4.80 3hcpA1 GLN 190 HB2 -0.14 0.03 0.07 -0.04 2.15 2.07 3hcpA1 GLN 190 HB3 0.02 -0.11 0.11 -0.04 2.02 2.00 3hcpA1 GLN 190 HG2 -0.08 0.02 -0.06 -0.04 2.40 2.24 3hcpA1 GLN 190 HG3 -0.02 -0.07 -0.12 -0.04 2.39 2.14 3hcpA1 GLN 190 HE21 -1.66 -0.02 -0.18 -0.04 6.97 5.06 3hcpA1 GLN 190 HE22 -0.59 0.31 -0.25 -0.04 7.69 7.12 3hcpA1 TYR 191 H 0.04 0.04 -0.14 -0.55 8.29 7.68 3hcpA1 TYR 191 HA -0.24 0.20 0.83 -0.75 4.56 4.60 3hcpA1 TYR 191 HB2 -0.10 -0.03 0.11 -0.04 3.06 2.99 3hcpA1 TYR 191 HB3 -0.17 0.12 0.08 -0.04 2.98 2.97 3hcpA1 TYR 191 HD2 -0.35 0.10 0.06 -0.04 7.15 6.93 3hcpA1 TYR 191 HE2 -0.24 0.04 -0.07 -0.04 6.85 6.53 3hcpA1 PRO 192 HA -1.95 0.06 0.19 -0.51 4.44 2.22 3hcpA1 PRO 192 HB2 -0.38 0.04 -0.09 -0.04 2.28 1.80 3hcpA1 PRO 192 HB3 -1.03 0.15 -0.10 -0.04 2.02 1.00 3hcpA1 PRO 192 HG2 -0.28 0.08 -0.08 -0.04 2.03 1.71 3hcpA1 PRO 192 HG3 -1.29 0.06 -0.10 -0.04 2.03 0.66 3hcpA1 PRO 192 HD2 -0.21 0.09 0.04 -0.04 3.68 3.57 3hcpA1 PRO 192 HD3 -0.30 0.31 0.06 -0.04 3.65 3.67 3hcpA1 GLN 193 H -0.11 0.15 -0.25 -0.55 8.47 7.72 3hcpA1 GLN 193 HA 0.00 0.10 0.78 -0.75 4.36 4.49 3hcpA1 GLN 193 HB2 0.03 -0.03 0.00 -0.04 2.15 2.12 3hcpA1 GLN 193 HB3 -0.03 0.02 -0.06 -0.04 2.02 1.91 3hcpA1 GLN 193 HG2 -0.13 0.02 -0.36 -0.04 2.40 1.89 3hcpA1 GLN 193 HG3 -0.09 0.01 -0.30 -0.04 2.39 1.97 3hcpA1 GLN 193 HE21 -0.08 0.43 0.17 -0.04 6.97 7.44 3hcpA1 GLN 193 HE22 -0.12 0.04 0.04 -0.04 7.69 7.61 3hcpA1 TYR 194 H 0.20 0.15 0.12 -0.55 8.29 8.21 3hcpA1 TYR 194 HA 0.03 0.06 0.47 -0.75 4.56 4.37 3hcpA1 TYR 194 HB2 0.05 0.11 0.10 -0.04 3.06 3.28 3hcpA1 TYR 194 HB3 0.05 -0.01 0.10 -0.04 2.98 3.08 3hcpA1 TYR 194 HD2 0.04 0.14 -0.18 -0.04 7.15 7.10 3hcpA1 TYR 194 HE2 0.01 0.00 -0.13 -0.04 6.85 6.69 3hcpA1 SER 195 H -0.35 0.12 0.35 -0.55 8.46 8.03 3hcpA1 SER 195 HA 0.01 0.19 0.64 -0.75 4.49 4.57 3hcpA1 SER 195 HB2 -0.46 0.18 0.10 -0.04 3.95 3.73 3hcpA1 SER 195 HB3 -0.43 -0.09 0.16 -0.04 3.93 3.52 3hcpA1 CYS 196 H -0.03 0.27 0.15 -0.55 8.50 8.34 3hcpA1 CYS 196 HA -0.15 0.04 0.60 -0.75 4.58 4.32 3hcpA1 CYS 196 HB2 -0.04 0.05 0.11 -0.04 2.97 3.04 3hcpA1 CYS 196 HB3 -0.00 0.10 0.11 -0.04 2.97 3.14 3hcpA1 SER 197 H -0.21 -0.01 -0.23 -0.55 8.46 7.47 3hcpA1 SER 197 HA -0.12 0.00 0.53 -0.75 4.49 4.14 3hcpA1 SER 197 HB2 -0.24 0.00 0.05 -0.04 3.95 3.73 3hcpA1 SER 197 HB3 -0.14 0.00 0.14 -0.04 3.93 3.89 3hcpA1 THR 198 H -0.37 0.15 -0.44 -0.55 8.28 7.07 3hcpA1 THR 198 HA -0.33 0.25 0.85 -0.75 4.39 4.41 3hcpA1 THR 198 HB -2.04 0.04 0.10 -0.04 4.32 2.37 3hcpA1 THR 198 HG23 -0.50 0.01 -0.09 -0.04 1.22 0.60 3hcpA1 THR 199 H -0.53 0.11 0.25 -0.55 8.28 7.56 3hcpA1 THR 199 HA -0.01 0.05 0.36 -0.75 4.39 4.04 3hcpA1 THR 199 HB -0.73 -0.04 0.20 -0.04 4.32 3.71 3hcpA1 THR 199 HG23 0.13 0.09 0.01 -0.04 1.22 1.41 3hcpA1 GLY 200 H -0.57 0.41 0.02 -0.55 8.43 7.74 3hcpA1 GLY 200 HA2 0.04 0.07 0.32 -0.51 4.01 3.93 3hcpA1 GLY 200 HA3 -0.08 0.03 0.37 -0.51 4.01 3.81 3hcpA1 SER 201 H -0.13 0.15 -0.49 -0.55 8.46 7.45 3hcpA1 SER 201 HA -0.02 -0.00 0.42 -0.75 4.49 4.14 3hcpA1 SER 201 HB2 -0.04 0.10 -0.12 -0.04 3.95 3.84 3hcpA1 SER 201 HB3 -0.07 0.14 -0.09 -0.04 3.93 3.86 3hcpA1 SER 202 H -0.04 0.50 -0.12 -0.55 8.46 8.26 3hcpA1 SER 202 HA -0.01 0.01 0.41 -0.75 4.49 4.15 3hcpA1 SER 202 HB2 0.07 0.07 0.10 -0.04 3.95 4.15 3hcpA1 SER 202 HB3 0.08 0.00 -0.07 -0.04 3.93 3.89 3hcpA1 LEU 203 H 0.05 0.60 -0.11 -0.55 8.37 8.35 3hcpA1 LEU 203 HA 0.14 0.07 0.50 -0.75 4.35 4.30 3hcpA1 LEU 203 HB2 0.14 0.04 0.09 -0.04 1.64 1.88 3hcpA1 LEU 203 HB3 0.30 0.03 -0.01 -0.04 1.64 1.91 3hcpA1 LEU 203 HG 0.09 0.07 0.01 -0.04 1.64 1.77 3hcpA1 LEU 203 HD13 0.08 -0.01 -0.06 -0.04 0.93 0.89 3hcpA1 LEU 203 HD23 -0.00 0.01 -0.06 -0.04 0.89 0.80 3hcpA1 ASN 204 H 0.06 0.70 -0.03 -0.55 8.53 8.71 3hcpA1 ASN 204 HA 0.08 0.01 0.47 -0.75 4.76 4.56 3hcpA1 ASN 204 HB2 0.03 0.12 0.17 -0.04 2.88 3.16 3hcpA1 ASN 204 HB3 0.05 -0.08 -0.01 -0.04 2.79 2.70 3hcpA1 ASN 204 HD21 0.02 -0.08 -0.09 -0.04 7.03 6.84 3hcpA1 ASN 204 HD22 0.02 -0.03 -0.06 -0.04 7.74 7.63 3hcpA1 ALA 205 H 0.01 0.50 -0.30 -0.55 8.40 8.07 3hcpA1 ALA 205 HA -0.01 -0.02 0.39 -0.75 4.34 3.94 3hcpA1 ALA 205 HB3 -0.02 0.04 0.07 -0.04 1.41 1.46 3hcpA1 ILE 206 H -0.05 0.38 -0.37 -0.55 8.25 7.66 3hcpA1 ILE 206 HA -0.22 0.01 0.41 -0.75 4.18 3.63 3hcpA1 ILE 206 HB -0.20 0.15 0.15 -0.04 1.89 1.96 3hcpA1 ILE 206 HG12 -0.15 -0.05 -0.03 -0.04 1.49 1.22 3hcpA1 ILE 206 HG13 -0.04 0.12 0.06 -0.04 1.21 1.31 3hcpA1 ILE 206 HG23 -0.90 0.00 -0.12 -0.04 0.93 -0.13 3hcpA1 ILE 206 HD13 0.09 -0.02 -0.02 -0.04 0.88 0.89 3hcpA1 TYR 207 H -0.16 0.40 -0.01 -0.55 8.29 7.97 3hcpA1 TYR 207 HA -0.75 0.09 0.50 -0.75 4.56 3.65 3hcpA1 TYR 207 HB2 -0.44 0.04 0.08 -0.04 3.06 2.70 3hcpA1 TYR 207 HB3 -0.18 0.02 0.16 -0.04 2.98 2.94 3hcpA1 TYR 207 HD2 -0.12 0.03 -0.07 -0.04 7.15 6.95 3hcpA1 TYR 207 HE2 -0.00 0.01 -0.07 -0.04 6.85 6.75 3hcpA1 ARG 208 H -0.03 0.71 -0.05 -0.55 8.46 8.55 3hcpA1 ARG 208 HA -0.31 -0.00 0.37 -0.75 4.34 3.64 3hcpA1 ARG 208 HB2 -0.03 0.07 0.09 -0.04 1.90 1.99 3hcpA1 ARG 208 HB3 -0.05 -0.04 -0.01 -0.04 1.80 1.66 3hcpA1 ARG 208 HG2 0.06 -0.04 0.01 -0.04 1.67 1.66 3hcpA1 ARG 208 HG3 0.14 0.08 0.03 -0.04 1.67 1.88 3hcpA1 ARG 208 HD2 0.02 0.00 -0.15 -0.04 3.22 3.06 3hcpA1 ARG 208 HD3 0.02 -0.00 -0.03 -0.04 3.22 3.16 3hcpA1 TYR 209 H -0.10 0.44 -0.41 -0.55 8.29 7.68 3hcpA1 TYR 209 HA -0.19 -0.03 0.40 -0.75 4.56 3.99 3hcpA1 TYR 209 HB2 -0.22 -0.05 0.11 -0.04 3.06 2.86 3hcpA1 TYR 209 HB3 -0.43 0.18 0.19 -0.04 2.98 2.88 3hcpA1 TYR 209 HD2 -0.77 -0.00 -0.08 -0.04 7.15 6.26 3hcpA1 TYR 209 HE2 -0.25 0.01 -0.09 -0.04 6.85 6.48 3hcpA1 TYR 210 H -0.16 0.42 -0.10 -0.55 8.29 7.90 3hcpA1 TYR 210 HA -0.23 0.03 0.41 -0.75 4.56 4.02 3hcpA1 TYR 210 HB2 -0.24 0.04 0.16 -0.04 3.06 2.99 3hcpA1 TYR 210 HB3 -0.05 0.16 0.07 -0.04 2.98 3.12 3hcpA1 TYR 210 HD2 -0.16 0.13 -0.08 -0.04 7.15 7.00 3hcpA1 TYR 210 HE2 -0.02 -0.03 -0.08 -0.04 6.85 6.69 3hcpA1 ASN 211 H -0.39 0.54 -0.07 -0.55 8.53 8.06 3hcpA1 ASN 211 HA -0.17 0.04 0.48 -0.75 4.76 4.36 3hcpA1 ASN 211 HB2 -0.84 0.05 0.07 -0.04 2.88 2.11 3hcpA1 ASN 211 HB3 -0.36 0.01 0.10 -0.04 2.79 2.50 3hcpA1 ASN 211 HD21 0.00 -0.03 -0.00 -0.04 7.03 6.95 3hcpA1 ASN 211 HD22 -0.11 0.03 0.02 -0.04 7.74 7.64 3hcpA1 GLN 212 H -0.24 0.61 -0.19 -0.55 8.47 8.11 3hcpA1 GLN 212 HA -0.12 0.03 0.47 -0.75 4.36 3.99 3hcpA1 GLN 212 HB2 -0.11 -0.10 0.08 -0.04 2.15 1.98 3hcpA1 GLN 212 HB3 -0.20 0.13 0.17 -0.04 2.02 2.08 3hcpA1 GLN 212 HG2 -0.16 0.05 -0.34 -0.04 2.40 1.90 3hcpA1 GLN 212 HG3 -0.09 -0.03 -0.00 -0.04 2.39 2.22 3hcpA1 GLN 212 HE21 -0.02 -0.07 -0.03 -0.04 6.97 6.81 3hcpA1 GLN 212 HE22 -0.06 0.03 -0.06 -0.04 7.69 7.55 3hcpA1 VAL 213 H -0.36 0.54 0.01 -0.55 8.24 7.88 3hcpA1 VAL 213 HA -0.17 0.05 0.64 -0.75 4.13 3.91 3hcpA1 VAL 213 HB -0.16 -0.03 0.09 -0.04 2.12 1.98 3hcpA1 VAL 213 HG13 -0.56 -0.00 0.02 -0.04 0.97 0.38 3hcpA1 VAL 213 HG23 -0.27 0.01 -0.03 -0.04 0.95 0.62 3hcpA1 GLY 214 H -0.11 0.27 -0.56 -0.55 8.43 7.48 3hcpA1 GLY 214 HA2 -0.04 0.04 0.26 -0.51 4.01 3.76 3hcpA1 GLY 214 HA3 -0.04 -0.02 0.31 -0.51 4.01 3.75 3hcpA1 ARG 215 H 0.01 0.40 -0.05 -0.55 8.46 8.27 3hcpA1 ARG 215 HA 0.03 0.08 0.79 -0.75 4.34 4.49 3hcpA1 ARG 215 HB2 0.02 0.08 -0.35 -0.04 1.90 1.61 3hcpA1 ARG 215 HB3 0.13 -0.03 -0.15 -0.04 1.80 1.71 3hcpA1 ARG 215 HG2 0.06 0.04 0.05 -0.04 1.67 1.78 3hcpA1 ARG 215 HG3 0.04 -0.00 0.02 -0.04 1.67 1.68 3hcpA1 ARG 215 HD2 0.12 0.02 -0.07 -0.04 3.22 3.24 3hcpA1 ARG 215 HD3 0.06 -0.04 -0.03 -0.04 3.22 3.17 3hcpA1 LYS 216 H 0.03 0.09 0.10 -0.55 8.42 8.09 3hcpA1 LYS 216 HA -0.03 0.10 0.66 -0.75 4.32 4.30 3hcpA1 LYS 216 HB2 0.00 -0.07 0.11 -0.04 1.87 1.87 3hcpA1 LYS 216 HB3 -0.01 0.11 -0.03 -0.04 1.79 1.82 3hcpA1 LYS 216 HG2 -0.03 0.02 0.04 -0.04 1.46 1.44 3hcpA1 LYS 216 HG3 -0.05 0.05 0.13 -0.04 1.46 1.54 3hcpA1 LYS 216 HD2 -0.00 -0.04 -0.01 -0.04 1.69 1.61 3hcpA1 LYS 216 HD3 -0.01 -0.00 0.00 -0.04 1.68 1.63 3hcpA1 LYS 216 HE2 0.02 0.02 -0.03 -0.04 2.99 2.96 3hcpA1 LYS 216 HE3 0.01 -0.04 -0.19 -0.04 2.99 2.73 3hcpA1 PRO 217 HA 0.06 0.02 0.55 -0.51 4.44 4.56 3hcpA1 PRO 217 HB2 0.06 0.18 0.02 -0.04 2.28 2.49 3hcpA1 PRO 217 HB3 0.23 -0.02 0.08 -0.04 2.02 2.26 3hcpA1 PRO 217 HG2 -0.21 0.05 0.09 -0.04 2.03 1.92 3hcpA1 PRO 217 HG3 -1.48 -0.00 0.07 -0.04 2.03 0.57 3hcpA1 PRO 217 HD2 -0.14 0.10 0.21 -0.04 3.68 3.81 3hcpA1 PRO 217 HD3 -0.27 0.13 0.22 -0.04 3.65 3.69 3hcpA1 THR 218 H 0.16 0.09 0.12 -0.55 8.28 8.10 3hcpA1 THR 218 HA 0.03 0.18 0.73 -0.75 4.39 4.57 3hcpA1 THR 218 HB 0.04 0.04 0.14 -0.04 4.32 4.50 3hcpA1 THR 218 HG23 0.07 0.01 -0.06 -0.04 1.22 1.19 3hcpA1 MET 219 H 0.06 0.03 -0.17 -0.55 8.47 7.85 3hcpA1 MET 219 HA -0.06 0.30 0.70 -0.75 4.52 4.71 3hcpA1 MET 219 HB2 -0.29 -0.01 -0.38 -0.04 2.15 1.43 3hcpA1 MET 219 HB3 -0.12 0.32 -0.31 -0.04 2.03 1.88 3hcpA1 MET 219 HG2 0.03 -0.16 -0.18 -0.04 2.63 2.28 3hcpA1 MET 219 HG3 -0.20 -0.05 -0.18 -0.04 2.56 2.09 3hcpA1 MET 219 HE3 0.06 -0.02 -0.13 -0.04 2.10 1.97 3hcpA1 LYS 220 H -0.09 0.49 0.17 -0.55 8.42 8.44 3hcpA1 LYS 220 HA -0.00 0.05 0.66 -0.75 4.32 4.28 3hcpA1 LYS 220 HB2 -0.03 0.01 0.16 -0.04 1.87 1.97 3hcpA1 LYS 220 HB3 -0.05 -0.01 0.26 -0.04 1.79 1.95 3hcpA1 LYS 220 HG2 0.04 0.10 -0.12 -0.04 1.46 1.44 3hcpA1 LYS 220 HG3 0.00 0.30 0.11 -0.04 1.46 1.83 3hcpA1 LYS 220 HD2 -0.01 -0.03 0.00 -0.04 1.69 1.60 3hcpA1 LYS 220 HD3 -0.01 -0.14 -0.08 -0.04 1.68 1.41 3hcpA1 LYS 220 HE2 0.04 -0.04 -0.18 -0.04 2.99 2.77 3hcpA1 LYS 220 HE3 0.02 0.14 -0.03 -0.04 2.99 3.08 3hcpA1 TRP 221 H 0.18 0.16 0.25 -0.55 7.97 8.01 3hcpA1 TRP 221 HA 0.14 0.34 1.14 -0.75 4.62 5.48 3hcpA1 TRP 221 HB2 -0.18 0.02 0.13 -0.04 3.23 3.15 3hcpA1 TRP 221 HB3 0.29 -0.03 0.04 -0.04 3.23 3.50 3hcpA1 TRP 221 HD1 -0.05 0.13 -0.05 -0.04 7.22 7.21 3hcpA1 TRP 221 HE1 0.29 -0.06 -0.07 -0.04 10.20 10.33 3hcpA1 TRP 221 HE3 0.44 0.10 0.01 -0.04 7.59 8.09 3hcpA1 TRP 221 HZ2 0.18 -0.02 -0.08 -0.04 7.44 7.48 3hcpA1 TRP 221 HZ3 0.22 -0.09 -0.17 -0.04 7.13 7.04 3hcpA1 TRP 221 HH2 0.06 -0.06 -0.12 -0.04 7.19 7.03 3hcpA1 SER 222 H 0.58 0.42 0.44 -0.55 8.46 9.34 3hcpA1 SER 222 HA 0.52 0.19 0.45 -0.75 4.49 4.89 3hcpA1 SER 222 HB2 0.34 0.06 0.23 -0.04 3.95 4.54 3hcpA1 SER 222 HB3 0.21 0.15 0.10 -0.04 3.93 4.35 3hcpA1 THR 223 H 0.18 0.72 0.21 -0.55 8.28 8.85 3hcpA1 THR 223 HA -0.00 0.15 0.91 -0.75 4.39 4.69 3hcpA1 THR 223 HB -0.76 0.01 -0.05 -0.04 4.32 3.48 3hcpA1 THR 223 HG23 -0.52 -0.01 0.07 -0.04 1.22 0.72 3hcpA1 ILE 224 H -0.15 0.47 0.09 -0.55 8.25 8.11 3hcpA1 ILE 224 HA -0.10 0.08 0.68 -0.75 4.18 4.08 3hcpA1 ILE 224 HB -0.31 -0.04 0.17 -0.04 1.89 1.67 3hcpA1 ILE 224 HG12 -0.56 0.04 -0.04 -0.04 1.49 0.90 3hcpA1 ILE 224 HG13 -1.10 0.01 -0.22 -0.04 1.21 -0.14 3hcpA1 ILE 224 HG23 -0.18 -0.01 -0.10 -0.04 0.93 0.61 3hcpA1 ILE 224 HD13 -1.01 -0.00 -0.19 -0.04 0.88 -0.37 3hcpA1 ASP 225 H 0.10 0.11 0.02 -0.55 8.40 8.08 3hcpA1 ASP 225 HA 0.21 0.15 0.58 -0.75 4.63 4.82 3hcpA1 ASP 225 HB2 0.24 -0.04 0.05 -0.04 2.71 2.92 3hcpA1 ASP 225 HB3 0.02 0.09 -0.03 -0.04 2.70 2.74 3hcpA1 ARG 226 H 0.28 0.18 0.06 -0.55 8.46 8.43 3hcpA1 ARG 226 HA 0.26 0.22 0.19 -0.75 4.34 4.26 3hcpA1 ARG 226 HB2 0.14 0.04 0.23 -0.04 1.90 2.28 3hcpA1 ARG 226 HB3 0.25 0.07 0.05 -0.04 1.80 2.13 3hcpA1 ARG 226 HG2 0.13 -0.12 -0.03 -0.04 1.67 1.61 3hcpA1 ARG 226 HG3 0.13 0.04 -0.11 -0.04 1.67 1.69 3hcpA1 ARG 226 HD2 0.03 0.01 -0.02 -0.04 3.22 3.21 3hcpA1 ARG 226 HD3 0.09 -0.03 0.02 -0.04 3.22 3.26 3hcpA1 TRP 227 H -0.04 0.83 0.22 -0.55 7.97 8.44 3hcpA1 TRP 227 HA 0.12 0.06 0.48 -0.75 4.62 4.53 3hcpA1 TRP 227 HB2 0.16 -0.12 0.19 -0.04 3.23 3.42 3hcpA1 TRP 227 HB3 0.13 0.15 0.09 -0.04 3.23 3.55 3hcpA1 TRP 227 HD1 0.21 -0.11 -0.65 -0.04 7.22 6.62 3hcpA1 TRP 227 HE1 0.18 0.48 -0.27 -0.04 10.20 10.54 3hcpA1 TRP 227 HE3 0.13 -0.11 0.03 -0.04 7.59 7.60 3hcpA1 TRP 227 HZ2 -0.09 0.03 -0.15 -0.04 7.44 7.19 3hcpA1 TRP 227 HZ3 0.21 -0.04 -0.06 -0.04 7.13 7.20 3hcpA1 TRP 227 HH2 0.33 -0.01 -0.09 -0.04 7.19 7.39 3hcpA1 PRO 228 HA -0.07 0.05 0.13 -0.51 4.44 4.04 3hcpA1 PRO 228 HB2 -0.00 0.14 -0.02 -0.04 2.28 2.36 3hcpA1 PRO 228 HB3 -0.03 -0.07 -0.04 -0.04 2.02 1.84 3hcpA1 PRO 228 HG2 0.06 0.06 0.02 -0.04 2.03 2.13 3hcpA1 PRO 228 HG3 0.05 -0.00 0.08 -0.04 2.03 2.12 3hcpA1 PRO 228 HD2 0.14 0.10 0.05 -0.04 3.68 3.94 3hcpA1 PRO 228 HD3 0.09 0.07 0.22 -0.04 3.65 3.99 3hcpA1 THR 229 H 0.17 0.04 -0.37 -0.55 8.28 7.57 3hcpA1 THR 229 HA 0.10 0.30 0.91 -0.75 4.39 4.94 3hcpA1 THR 229 HB 0.06 0.04 0.09 -0.04 4.32 4.46 3hcpA1 THR 229 HG23 0.03 0.02 -0.27 -0.04 1.22 0.96 3hcpA1 HIS 230 H 0.38 0.28 -0.19 -0.55 8.41 8.33 3hcpA1 HIS 230 HA 0.19 0.07 0.39 -0.75 4.63 4.52 3hcpA1 HIS 230 HB2 0.36 0.09 0.13 -0.04 3.26 3.79 3hcpA1 HIS 230 HB3 0.37 -0.04 0.11 -0.04 3.20 3.59 3hcpA1 HIS 230 HD2 0.10 0.07 0.02 -0.04 6.97 7.12 3hcpA1 HIS 230 HE1 -0.23 0.06 0.03 -0.04 7.75 7.56 3hcpA1 HIS 231 H -0.23 0.16 0.22 -0.55 8.41 8.00 3hcpA1 HIS 231 HA -0.02 0.15 0.25 -0.75 4.63 4.26 3hcpA1 HIS 231 HB2 -0.05 0.06 0.09 -0.04 3.26 3.32 3hcpA1 HIS 231 HB3 -0.12 0.07 0.16 -0.04 3.20 3.27 3hcpA1 HIS 231 HD2 -0.02 0.03 -0.12 -0.04 6.97 6.82 3hcpA1 HIS 231 HE1 -0.02 0.04 -0.01 -0.04 7.75 7.71 3hcpA1 LEU 232 H -0.51 0.06 -0.18 -0.55 8.37 7.19 3hcpA1 LEU 232 HA -0.11 0.15 0.66 -0.75 4.35 4.29 3hcpA1 LEU 232 HB2 0.07 -0.05 0.04 -0.04 1.64 1.67 3hcpA1 LEU 232 HB3 -0.03 0.08 0.01 -0.04 1.64 1.66 3hcpA1 LEU 232 HG -0.88 -0.04 -0.03 -0.04 1.64 0.65 3hcpA1 LEU 232 HD13 0.00 0.02 -0.13 -0.04 0.93 0.78 3hcpA1 LEU 232 HD23 -0.05 0.02 -0.04 -0.04 0.89 0.78 3hcpA1 LEU 233 H 0.39 0.08 -0.19 -0.55 8.37 8.11 3hcpA1 LEU 233 HA 0.13 0.03 0.58 -0.75 4.35 4.34 3hcpA1 LEU 233 HB2 0.56 -0.05 0.06 -0.04 1.64 2.17 3hcpA1 LEU 233 HB3 0.35 0.17 0.04 -0.04 1.64 2.17 3hcpA1 LEU 233 HG 0.20 0.02 -0.31 -0.04 1.64 1.51 3hcpA1 LEU 233 HD13 0.05 -0.01 -0.02 -0.04 0.93 0.90 3hcpA1 LEU 233 HD23 0.15 0.02 -0.08 -0.04 0.89 0.94 3hcpA1 ILE 234 H 0.15 0.54 -0.23 -0.55 8.25 8.17 3hcpA1 ILE 234 HA 0.24 0.02 0.37 -0.75 4.18 4.06 3hcpA1 ILE 234 HB 0.08 0.11 0.02 -0.04 1.89 2.06 3hcpA1 ILE 234 HG12 0.13 0.18 -0.29 -0.04 1.49 1.48 3hcpA1 ILE 234 HG13 0.07 0.02 -0.11 -0.04 1.21 1.14 3hcpA1 ILE 234 HG23 0.04 -0.00 -0.24 -0.04 0.93 0.69 3hcpA1 ILE 234 HD13 0.13 0.01 -0.02 -0.04 0.88 0.95 3hcpA1 GLN 235 H 0.05 0.40 -0.21 -0.55 8.47 8.16 3hcpA1 GLN 235 HA 0.04 0.05 0.38 -0.75 4.36 4.07 3hcpA1 GLN 235 HB2 0.04 0.09 0.14 -0.04 2.15 2.38 3hcpA1 GLN 235 HB3 0.01 0.01 0.14 -0.04 2.02 2.14 3hcpA1 GLN 235 HG2 0.02 -0.04 -0.13 -0.04 2.40 2.21 3hcpA1 GLN 235 HG3 0.03 0.02 0.04 -0.04 2.39 2.44 3hcpA1 GLN 235 HE21 0.03 0.00 -0.02 -0.04 6.97 6.95 3hcpA1 GLN 235 HE22 0.03 0.00 -0.02 -0.04 7.69 7.66 3hcpA1 CYS 236 H -0.04 0.53 -0.22 -0.55 8.50 8.22 3hcpA1 CYS 236 HA -0.13 -0.01 0.44 -0.75 4.58 4.13 3hcpA1 CYS 236 HB2 -0.31 0.12 0.13 -0.04 2.97 2.88 3hcpA1 CYS 236 HB3 -0.45 -0.04 -0.03 -0.04 2.97 2.41 3hcpA1 PHE 237 H -0.11 0.50 -0.11 -0.55 8.34 8.06 3hcpA1 PHE 237 HA -0.07 0.03 0.43 -0.75 4.62 4.25 3hcpA1 PHE 237 HB2 0.00 0.11 0.14 -0.04 3.15 3.36 3hcpA1 PHE 237 HB3 0.05 -0.03 -0.07 -0.04 3.06 2.97 3hcpA1 PHE 237 HD2 -0.01 0.01 -0.06 -0.04 7.28 7.17 3hcpA1 PHE 237 HE2 -0.04 0.04 -0.01 -0.04 7.38 7.33 3hcpA1 PHE 237 HZ -0.06 -0.07 -0.16 -0.04 7.32 6.99 3hcpA1 ALA 238 H 0.14 0.66 -0.06 -0.55 8.40 8.59 3hcpA1 ALA 238 HA 0.09 0.00 0.38 -0.75 4.34 4.06 3hcpA1 ALA 238 HB3 0.05 0.02 0.06 -0.04 1.41 1.50 3hcpA1 ASP 239 H 0.05 0.71 -0.11 -0.55 8.40 8.50 3hcpA1 ASP 239 HA 0.06 0.00 0.45 -0.75 4.63 4.39 3hcpA1 ASP 239 HB2 0.04 0.11 0.20 -0.04 2.71 3.03 3hcpA1 ASP 239 HB3 0.12 -0.08 -0.01 -0.04 2.70 2.69 3hcpA1 HIS 240 H 0.15 0.63 -0.10 -0.55 8.41 8.54 3hcpA1 HIS 240 HA -0.00 -0.01 0.51 -0.75 4.63 4.37 3hcpA1 HIS 240 HB2 0.05 0.11 0.15 -0.04 3.26 3.53 3hcpA1 HIS 240 HB3 0.01 -0.10 0.06 -0.04 3.20 3.13 3hcpA1 HIS 240 HD2 -0.02 -0.08 -0.12 -0.04 6.97 6.70 3hcpA1 HIS 240 HE1 -0.16 0.11 -0.08 -0.04 7.75 7.58 3hcpA1 ILE 241 H 0.13 0.63 -0.14 -0.55 8.25 8.32 3hcpA1 ILE 241 HA 0.04 -0.02 0.52 -0.75 4.18 3.96 3hcpA1 ILE 241 HB 0.05 0.13 0.14 -0.04 1.89 2.18 3hcpA1 ILE 241 HG12 -0.06 -0.06 -0.08 -0.04 1.49 1.26 3hcpA1 ILE 241 HG13 0.09 0.04 -0.02 -0.04 1.21 1.28 3hcpA1 ILE 241 HG23 -0.02 -0.01 -0.19 -0.04 0.93 0.66 3hcpA1 ILE 241 HD13 0.07 -0.03 -0.19 -0.04 0.88 0.69 3hcpA1 LEU 242 H 0.04 0.68 -0.02 -0.55 8.37 8.52 3hcpA1 LEU 242 HA 0.00 0.04 0.40 -0.75 4.35 4.03 3hcpA1 LEU 242 HB2 0.02 0.09 0.18 -0.04 1.64 1.89 3hcpA1 LEU 242 HB3 0.00 -0.04 -0.02 -0.04 1.64 1.55 3hcpA1 LEU 242 HG 0.02 0.07 0.05 -0.04 1.64 1.73 3hcpA1 LEU 242 HD13 0.01 -0.02 -0.06 -0.04 0.93 0.83 3hcpA1 LEU 242 HD23 0.00 -0.00 -0.00 -0.04 0.89 0.84 3hcpA1 LYS 243 H 0.00 0.56 -0.13 -0.55 8.42 8.30 3hcpA1 LYS 243 HA -0.12 0.01 0.45 -0.75 4.32 3.91 3hcpA1 LYS 243 HB2 -0.03 0.11 0.14 -0.04 1.87 2.06 3hcpA1 LYS 243 HB3 -0.06 0.09 0.13 -0.04 1.79 1.91 3hcpA1 LYS 243 HG2 -0.09 -0.01 -0.09 -0.04 1.46 1.22 3hcpA1 LYS 243 HG3 -0.10 -0.02 0.04 -0.04 1.46 1.34 3hcpA1 LYS 243 HD2 -0.06 -0.04 -0.01 -0.04 1.69 1.54 3hcpA1 LYS 243 HD3 -0.05 0.00 -0.02 -0.04 1.68 1.58 3hcpA1 LYS 243 HE2 -0.38 -0.06 -0.01 -0.04 2.99 2.50 3hcpA1 LYS 243 HE3 -0.30 0.04 0.04 -0.04 2.99 2.73 3hcpA1 GLU 244 H -0.01 0.41 -0.29 -0.55 8.60 8.17 3hcpA1 GLU 244 HA -0.00 0.04 0.49 -0.75 4.29 4.06 3hcpA1 GLU 244 HB2 0.04 0.07 0.14 -0.04 2.09 2.29 3hcpA1 GLU 244 HB3 0.09 0.06 -0.01 -0.04 1.99 2.09 3hcpA1 GLU 244 HG2 0.05 -0.08 -0.47 -0.04 2.34 1.80 3hcpA1 GLU 244 HG3 0.07 -0.01 -0.15 -0.04 2.34 2.21 3hcpA1 LEU 245 H 0.05 0.66 -0.05 -0.55 8.37 8.47 3hcpA1 LEU 245 HA 0.30 0.00 0.42 -0.75 4.35 4.32 3hcpA1 LEU 245 HB2 0.01 0.09 0.11 -0.04 1.64 1.80 3hcpA1 LEU 245 HB3 -0.00 -0.02 -0.04 -0.04 1.64 1.54 3hcpA1 LEU 245 HG 0.00 0.06 -0.04 -0.04 1.64 1.62 3hcpA1 LEU 245 HD13 -0.03 -0.02 -0.14 -0.04 0.93 0.70 3hcpA1 LEU 245 HD23 -0.19 0.00 -0.07 -0.04 0.89 0.59 3hcpA1 ASP 246 H -0.05 0.40 -0.34 -0.55 8.40 7.87 3hcpA1 ASP 246 HA 0.00 0.01 0.46 -0.75 4.63 4.35 3hcpA1 ASP 246 HB2 -0.26 0.25 0.09 -0.04 2.71 2.75 3hcpA1 ASP 246 HB3 -0.10 -0.09 0.03 -0.04 2.70 2.49 3hcpA1 HIS 247 H -0.07 0.33 -0.44 -0.55 8.41 7.69 3hcpA1 HIS 247 HA -0.02 0.09 0.77 -0.75 4.63 4.72 3hcpA1 HIS 247 HB2 -0.12 0.12 0.06 -0.04 3.26 3.27 3hcpA1 HIS 247 HB3 -0.12 -0.09 0.10 -0.04 3.20 3.04 3hcpA1 HIS 247 HD2 -0.06 -0.07 -0.01 -0.04 6.97 6.78 3hcpA1 HIS 247 HE1 -0.03 -0.06 -0.03 -0.04 7.75 7.58 3hcpA1 PHE 248 H 0.33 0.34 -0.31 -0.55 8.34 8.14 3hcpA1 PHE 248 HA 0.02 0.06 0.65 -0.75 4.62 4.60 3hcpA1 PHE 248 HB2 0.00 0.18 0.00 -0.04 3.15 3.29 3hcpA1 PHE 248 HB3 0.00 -0.02 -0.12 -0.04 3.06 2.88 3hcpA1 PHE 248 HD2 -0.00 0.05 -0.02 -0.04 7.28 7.27 3hcpA1 PHE 248 HE2 -0.02 -0.02 -0.24 -0.04 7.38 7.06 3hcpA1 PHE 248 HZ -0.02 0.09 -0.36 -0.04 7.32 6.99 3hcpA1 PRO 249 HA 0.06 0.06 0.50 -0.51 4.44 4.54 3hcpA1 PRO 249 HB2 0.07 -0.11 0.02 -0.04 2.28 2.22 3hcpA1 PRO 249 HB3 0.04 0.02 0.09 -0.04 2.02 2.13 3hcpA1 PRO 249 HG2 0.07 0.05 0.04 -0.04 2.03 2.15 3hcpA1 PRO 249 HG3 0.03 0.08 0.07 -0.04 2.03 2.17 3hcpA1 PRO 249 HD2 0.25 0.06 0.13 -0.04 3.68 4.07 3hcpA1 PRO 249 HD3 0.04 0.21 0.17 -0.04 3.65 4.03 3hcpA1 LEU 250 H 0.05 0.15 0.18 -0.55 8.37 8.20 3hcpA1 LEU 250 HA 0.04 0.17 0.37 -0.75 4.35 4.18 3hcpA1 LEU 250 HB2 0.03 0.06 0.18 -0.04 1.64 1.87 3hcpA1 LEU 250 HB3 0.02 -0.07 0.11 -0.04 1.64 1.66 3hcpA1 LEU 250 HG 0.02 0.05 0.07 -0.04 1.64 1.74 3hcpA1 LEU 250 HD13 0.01 -0.00 0.02 -0.04 0.93 0.92 3hcpA1 LEU 250 HD23 0.01 -0.01 -0.11 -0.04 0.89 0.74 3hcpA1 GLU 251 H 0.03 0.06 -0.28 -0.55 8.60 7.86 3hcpA1 GLU 251 HA 0.01 0.10 0.35 -0.75 4.29 3.99 3hcpA1 GLU 251 HB2 0.01 0.04 0.09 -0.04 2.09 2.18 3hcpA1 GLU 251 HB3 0.01 -0.03 0.06 -0.04 1.99 2.00 3hcpA1 GLU 251 HG2 0.03 0.07 -0.26 -0.04 2.34 2.14 3hcpA1 GLU 251 HG3 0.02 0.03 -0.07 -0.04 2.34 2.28 3hcpA1 LYS 252 H 0.04 0.50 -0.48 -0.55 8.42 7.93 3hcpA1 LYS 252 HA -0.00 0.18 0.90 -0.75 4.32 4.64 3hcpA1 LYS 252 HB2 0.11 0.13 -0.03 -0.04 1.87 2.03 3hcpA1 LYS 252 HB3 0.03 -0.03 0.03 -0.04 1.79 1.78 3hcpA1 LYS 252 HG2 0.05 -0.11 -0.17 -0.04 1.46 1.19 3hcpA1 LYS 252 HG3 0.07 0.01 -0.05 -0.04 1.46 1.45 3hcpA1 LYS 252 HD2 0.02 -0.00 -0.02 -0.04 1.69 1.64 3hcpA1 LYS 252 HD3 0.01 0.11 -0.05 -0.04 1.68 1.71 3hcpA1 LYS 252 HE2 0.02 -0.06 -0.12 -0.04 2.99 2.78 3hcpA1 LYS 252 HE3 0.02 0.01 -0.05 -0.04 2.99 2.93 3hcpA1 ARG 253 H 0.00 0.40 -0.14 -0.55 8.46 8.17 3hcpA1 ARG 253 HA -0.14 0.05 0.23 -0.75 4.34 3.72 3hcpA1 ARG 253 HB2 0.01 0.08 0.09 -0.04 1.90 2.04 3hcpA1 ARG 253 HB3 -0.02 -0.03 0.10 -0.04 1.80 1.81 3hcpA1 ARG 253 HG2 -0.07 -0.02 -0.09 -0.04 1.67 1.45 3hcpA1 ARG 253 HG3 -0.01 0.16 -0.04 -0.04 1.67 1.75 3hcpA1 ARG 253 HD2 0.00 -0.00 -0.06 -0.04 3.22 3.12 3hcpA1 ARG 253 HD3 -0.01 -0.02 -0.07 -0.04 3.22 3.07 3hcpA1 SER 254 H -0.04 0.11 -0.17 -0.55 8.46 7.82 3hcpA1 SER 254 HA -0.05 0.15 0.39 -0.75 4.49 4.24 3hcpA1 SER 254 HB2 -0.02 -0.03 -0.02 -0.04 3.95 3.83 3hcpA1 SER 254 HB3 -0.02 0.04 0.05 -0.04 3.93 3.96 3hcpA1 GLU 255 H -0.06 0.11 -0.50 -0.55 8.60 7.60 3hcpA1 GLU 255 HA -0.05 0.09 0.65 -0.75 4.29 4.23 3hcpA1 GLU 255 HB2 -0.03 -0.06 0.07 -0.04 2.09 2.03 3hcpA1 GLU 255 HB3 -0.04 0.05 0.10 -0.04 1.99 2.05 3hcpA1 GLU 255 HG2 -0.02 -0.06 0.04 -0.04 2.34 2.27 3hcpA1 GLU 255 HG3 -0.05 -0.01 -0.13 -0.04 2.34 2.11 3hcpA1 VAL 256 H -0.18 0.33 -0.31 -0.55 8.24 7.53 3hcpA1 VAL 256 HA -0.25 0.10 0.38 -0.75 4.13 3.61 3hcpA1 VAL 256 HB -0.37 0.15 0.07 -0.04 2.12 1.93 3hcpA1 VAL 256 HG13 -0.44 -0.07 -0.37 -0.04 0.97 0.06 3hcpA1 VAL 256 HG23 -1.15 0.00 -0.12 -0.04 0.95 -0.36 3hcpA1 VAL 257 H -0.12 0.61 0.43 -0.55 8.24 8.61 3hcpA1 VAL 257 HA -0.06 0.28 0.89 -0.75 4.13 4.49 3hcpA1 VAL 257 HB -0.05 -0.04 0.12 -0.04 2.12 2.10 3hcpA1 VAL 257 HG13 -0.03 -0.04 -0.28 -0.04 0.97 0.58 3hcpA1 VAL 257 HG23 -0.04 0.04 -0.04 -0.04 0.95 0.87 3hcpA1 ILE 258 H -0.03 0.71 0.23 -0.55 8.25 8.61 3hcpA1 ILE 258 HA -0.16 0.20 0.89 -0.75 4.18 4.36 3hcpA1 ILE 258 HB -0.05 -0.02 0.05 -0.04 1.89 1.82 3hcpA1 ILE 258 HG12 -0.15 -0.02 -0.17 -0.04 1.49 1.11 3hcpA1 ILE 258 HG13 -0.08 0.13 -0.15 -0.04 1.21 1.08 3hcpA1 ILE 258 HG23 -0.78 -0.04 -0.24 -0.04 0.93 -0.17 3hcpA1 ILE 258 HD13 -0.05 -0.01 -0.14 -0.04 0.88 0.64 3hcpA1 LEU 259 H -0.16 0.79 0.29 -0.55 8.37 8.74 3hcpA1 LEU 259 HA -0.03 0.21 0.93 -0.75 4.35 4.70 3hcpA1 LEU 259 HB2 -0.06 0.08 -0.02 -0.04 1.64 1.60 3hcpA1 LEU 259 HB3 -0.07 -0.15 0.05 -0.04 1.64 1.43 3hcpA1 LEU 259 HG -0.04 -0.06 -0.13 -0.04 1.64 1.36 3hcpA1 LEU 259 HD13 -0.02 0.03 -0.13 -0.04 0.93 0.77 3hcpA1 LEU 259 HD23 -0.04 -0.02 -0.19 -0.04 0.89 0.60 3hcpA1 PHE 260 H 0.10 0.56 0.22 -0.55 8.34 8.67 3hcpA1 PHE 260 HA -0.14 0.17 0.80 -0.75 4.62 4.70 3hcpA1 PHE 260 HB2 -0.18 -0.01 0.19 -0.04 3.15 3.11 3hcpA1 PHE 260 HB3 -0.25 -0.06 0.03 -0.04 3.06 2.74 3hcpA1 PHE 260 HD2 -0.16 0.03 -0.10 -0.04 7.28 7.01 3hcpA1 PHE 260 HE2 -0.32 0.02 -0.11 -0.04 7.38 6.92 3hcpA1 PHE 260 HZ -0.23 0.01 -0.12 -0.04 7.32 6.94 3hcpA1 SER 261 H -0.03 0.71 0.32 -0.55 8.46 8.91 3hcpA1 SER 261 HA -0.14 0.39 0.97 -0.75 4.49 4.95 3hcpA1 SER 261 HB2 -0.03 0.09 -0.26 -0.04 3.95 3.71 3hcpA1 SER 261 HB3 -0.01 -0.06 -0.05 -0.04 3.93 3.77 3hcpA1 ALA 262 H -0.20 0.64 0.34 -0.55 8.40 8.64 3hcpA1 ALA 262 HA 0.18 0.00 0.91 -0.75 4.34 4.68 3hcpA1 ALA 262 HB3 -0.05 0.04 -0.05 -0.04 1.41 1.30 3hcpA1 HIS 263 H 0.56 0.08 0.12 -0.55 8.41 8.62 3hcpA1 HIS 263 HA 0.32 0.03 0.57 -0.75 4.63 4.79 3hcpA1 HIS 263 HB2 0.37 -0.06 0.14 -0.04 3.26 3.66 3hcpA1 HIS 263 HB3 0.28 0.19 -0.00 -0.04 3.20 3.63 3hcpA1 HIS 263 HD2 0.15 0.14 -0.01 -0.04 6.97 7.20 3hcpA1 HIS 263 HE1 -0.10 -0.10 -0.04 -0.04 7.75 7.46 3hcpA1 SER 264 H 0.40 0.53 0.25 -0.55 8.46 9.10 3hcpA1 SER 264 HA 0.52 0.09 0.45 -0.75 4.49 4.80 3hcpA1 SER 264 HB2 0.41 -0.05 -0.14 -0.04 3.95 4.13 3hcpA1 SER 264 HB3 0.50 -0.06 -0.10 -0.04 3.93 4.24 3hcpA1 LEU 265 H 0.06 0.18 0.22 -0.55 8.37 8.28 3hcpA1 LEU 265 HA -0.11 0.24 0.77 -0.75 4.35 4.50 3hcpA1 LEU 265 HB2 -0.17 -0.03 0.06 -0.04 1.64 1.45 3hcpA1 LEU 265 HB3 -0.25 0.03 0.08 -0.04 1.64 1.46 3hcpA1 LEU 265 HG -0.07 0.06 -0.18 -0.04 1.64 1.41 3hcpA1 LEU 265 HD13 -0.10 -0.02 -0.01 -0.04 0.93 0.75 3hcpA1 LEU 265 HD23 -0.30 0.03 0.05 -0.04 0.89 0.63 3hcpA1 PRO 266 HA -1.31 0.18 0.70 -0.51 4.44 3.50 3hcpA1 PRO 266 HB2 -0.56 -0.17 0.08 -0.04 2.28 1.59 3hcpA1 PRO 266 HB3 -1.13 0.17 0.14 -0.04 2.02 1.16 3hcpA1 PRO 266 HG2 -0.54 0.05 0.12 -0.04 2.03 1.62 3hcpA1 PRO 266 HG3 -1.13 0.14 0.10 -0.04 2.03 1.10 3hcpA1 PRO 266 HD2 -0.53 0.04 0.25 -0.04 3.68 3.40 3hcpA1 PRO 266 HD3 -1.20 0.21 0.17 -0.04 3.65 2.78 3hcpA1 MET 267 H -0.28 0.86 0.33 -0.55 8.47 8.84 3hcpA1 MET 267 HA -0.16 0.02 0.40 -0.75 4.52 4.04 3hcpA1 MET 267 HB2 -0.08 0.11 0.06 -0.04 2.15 2.19 3hcpA1 MET 267 HB3 -0.07 0.03 0.01 -0.04 2.03 1.96 3hcpA1 MET 267 HG2 -0.02 -0.06 -0.49 -0.04 2.63 2.03 3hcpA1 MET 267 HG3 -0.02 0.07 -0.12 -0.04 2.56 2.45 3hcpA1 MET 267 HE3 -0.06 0.01 -0.01 -0.04 2.10 2.00 3hcpA1 SER 268 H -0.22 0.13 -0.23 -0.55 8.46 7.59 3hcpA1 SER 268 HA -0.10 0.13 0.37 -0.75 4.49 4.14 3hcpA1 SER 268 HB2 -0.09 0.07 0.03 -0.04 3.95 3.91 3hcpA1 SER 268 HB3 -0.10 0.04 0.08 -0.04 3.93 3.90 3hcpA1 VAL 269 H -0.24 0.23 -0.35 -0.55 8.24 7.32 3hcpA1 VAL 269 HA -0.12 0.13 0.59 -0.75 4.13 3.99 3hcpA1 VAL 269 HB -0.26 0.13 0.16 -0.04 2.12 2.11 3hcpA1 VAL 269 HG13 -0.14 -0.02 -0.03 -0.04 0.97 0.73 3hcpA1 VAL 269 HG23 -0.21 0.01 0.04 -0.04 0.95 0.75 3hcpA1 VAL 270 H -0.17 0.46 0.00 -0.55 8.24 7.98 3hcpA1 VAL 270 HA -0.09 -0.01 0.45 -0.75 4.13 3.73 3hcpA1 VAL 270 HB -0.13 0.07 0.14 -0.04 2.12 2.16 3hcpA1 VAL 270 HG13 -0.10 0.02 -0.09 -0.04 0.97 0.76 3hcpA1 VAL 270 HG23 -0.19 0.01 -0.01 -0.04 0.95 0.72 3hcpA1 ASN 271 H -0.09 0.55 -0.25 -0.55 8.53 8.20 3hcpA1 ASN 271 HA -0.05 0.07 0.32 -0.75 4.76 4.35 3hcpA1 ASN 271 HB2 -0.06 0.07 0.07 -0.04 2.88 2.92 3hcpA1 ASN 271 HB3 -0.04 -0.00 0.07 -0.04 2.79 2.78 3hcpA1 ASN 271 HD21 -0.04 -0.06 -0.03 -0.04 7.03 6.86 3hcpA1 ASN 271 HD22 -0.05 -0.02 -0.08 -0.04 7.74 7.54 3hcpA1 ARG 272 H -0.06 0.25 -0.50 -0.55 8.46 7.60 3hcpA1 ARG 272 HA -0.03 0.21 0.83 -0.75 4.34 4.59 3hcpA1 ARG 272 HB2 -0.03 -0.01 -0.03 -0.04 1.90 1.80 3hcpA1 ARG 272 HB3 -0.04 0.10 0.06 -0.04 1.80 1.88 3hcpA1 ARG 272 HG2 -0.05 0.24 0.15 -0.04 1.67 1.96 3hcpA1 ARG 272 HG3 -0.03 -0.14 -0.20 -0.04 1.67 1.26 3hcpA1 ARG 272 HD2 -0.03 -0.02 -0.04 -0.04 3.22 3.09 3hcpA1 ARG 272 HD3 -0.06 0.08 0.02 -0.04 3.22 3.22 3hcpA1 GLY 273 H -0.03 0.37 -0.18 -0.55 8.43 8.04 3hcpA1 GLY 273 HA2 -0.01 0.08 0.26 -0.51 4.01 3.83 3hcpA1 GLY 273 HA3 -0.01 0.11 0.92 -0.51 4.01 4.52 3hcpA1 ASP 274 H -0.02 0.26 0.17 -0.55 8.40 8.26 3hcpA1 ASP 274 HA 0.04 0.01 0.38 -0.75 4.63 4.32 3hcpA1 ASP 274 HB2 -0.04 0.19 0.05 -0.04 2.71 2.87 3hcpA1 ASP 274 HB3 -0.01 -0.02 0.07 -0.04 2.70 2.71 3hcpA1 PRO 275 HA 0.06 0.17 0.47 -0.51 4.44 4.63 3hcpA1 PRO 275 HB2 0.17 0.04 -0.06 -0.04 2.28 2.39 3hcpA1 PRO 275 HB3 0.04 0.05 0.12 -0.04 2.02 2.19 3hcpA1 PRO 275 HG2 0.17 -0.05 -0.00 -0.04 2.03 2.11 3hcpA1 PRO 275 HG3 0.02 0.20 0.09 -0.04 2.03 2.30 3hcpA1 PRO 275 HD2 0.23 -0.14 0.19 -0.04 3.68 3.92 3hcpA1 PRO 275 HD3 0.11 0.15 0.24 -0.04 3.65 4.12 3hcpA1 TYR 276 H 0.21 -0.04 -0.24 -0.55 8.29 7.67 3hcpA1 TYR 276 HA 0.07 0.02 0.31 -0.75 4.56 4.20 3hcpA1 TYR 276 HB2 0.00 -0.02 0.09 -0.04 3.06 3.09 3hcpA1 TYR 276 HB3 -0.01 0.00 0.08 -0.04 2.98 3.02 3hcpA1 TYR 276 HD2 -0.01 0.03 -0.26 -0.04 7.15 6.87 3hcpA1 TYR 276 HE2 0.24 0.12 -0.06 -0.04 6.85 7.11 3hcpA1 PRO 277 HA 0.14 0.04 0.35 -0.51 4.44 4.46 3hcpA1 PRO 277 HB2 -0.02 0.09 -0.01 -0.04 2.28 2.30 3hcpA1 PRO 277 HB3 -0.23 0.06 0.05 -0.04 2.02 1.86 3hcpA1 PRO 277 HG2 -0.11 0.09 0.05 -0.04 2.03 2.03 3hcpA1 PRO 277 HG3 -0.16 -0.01 0.03 -0.04 2.03 1.85 3hcpA1 PRO 277 HD2 0.06 0.38 -0.06 -0.04 3.68 4.01 3hcpA1 PRO 277 HD3 0.20 -0.06 0.05 -0.04 3.65 3.79 3hcpA1 GLN 278 H 0.04 0.24 -0.31 -0.55 8.47 7.89 3hcpA1 GLN 278 HA 0.05 0.08 0.42 -0.75 4.36 4.15 3hcpA1 GLN 278 HB2 0.03 0.02 0.06 -0.04 2.15 2.21 3hcpA1 GLN 278 HB3 0.03 0.10 0.10 -0.04 2.02 2.21 3hcpA1 GLN 278 HG2 0.02 -0.01 0.03 -0.04 2.40 2.40 3hcpA1 GLN 278 HG3 0.02 0.04 -0.01 -0.04 2.39 2.40 3hcpA1 GLN 278 HE21 0.01 -0.02 -0.07 -0.04 6.97 6.85 3hcpA1 GLN 278 HE22 0.02 0.02 -0.04 -0.04 7.69 7.65 3hcpA1 GLU 279 H 0.02 0.43 -0.01 -0.55 8.60 8.49 3hcpA1 GLU 279 HA -0.00 0.07 0.57 -0.75 4.29 4.18 3hcpA1 GLU 279 HB2 0.02 0.04 0.15 -0.04 2.09 2.26 3hcpA1 GLU 279 HB3 0.00 -0.07 0.05 -0.04 1.99 1.93 3hcpA1 GLU 279 HG2 0.03 0.01 0.05 -0.04 2.34 2.39 3hcpA1 GLU 279 HG3 0.05 0.24 0.10 -0.04 2.34 2.70 3hcpA1 VAL 280 H -0.14 0.69 -0.01 -0.55 8.24 8.23 3hcpA1 VAL 280 HA -0.17 0.03 0.53 -0.75 4.13 3.76 3hcpA1 VAL 280 HB -0.00 0.12 0.06 -0.04 2.12 2.26 3hcpA1 VAL 280 HG13 -0.29 -0.01 -0.18 -0.04 0.97 0.45 3hcpA1 VAL 280 HG23 -0.66 0.01 -0.04 -0.04 0.95 0.22 3hcpA1 SER 281 H 0.01 0.52 -0.20 -0.55 8.46 8.25 3hcpA1 SER 281 HA -0.10 -0.01 0.40 -0.75 4.49 4.03 3hcpA1 SER 281 HB2 0.03 0.17 0.14 -0.04 3.95 4.25 3hcpA1 SER 281 HB3 0.03 -0.03 0.02 -0.04 3.93 3.90 3hcpA1 ALA 282 H -0.04 0.35 -0.32 -0.55 8.40 7.84 3hcpA1 ALA 282 HA -0.04 0.03 0.48 -0.75 4.34 4.05 3hcpA1 ALA 282 HB3 -0.01 0.03 0.09 -0.04 1.41 1.48 3hcpA1 THR 283 H -0.11 0.44 -0.13 -0.55 8.28 7.94 3hcpA1 THR 283 HA -0.07 0.08 0.46 -0.75 4.39 4.10 3hcpA1 THR 283 HB -0.23 0.06 0.18 -0.04 4.32 4.29 3hcpA1 THR 283 HG23 -0.13 0.00 -0.02 -0.04 1.22 1.03 3hcpA1 VAL 284 H -0.33 0.58 -0.07 -0.55 8.24 7.87 3hcpA1 VAL 284 HA -0.97 -0.02 0.40 -0.75 4.13 2.79 3hcpA1 VAL 284 HB -0.39 0.14 0.15 -0.04 2.12 1.98 3hcpA1 VAL 284 HG13 -0.96 -0.01 -0.17 -0.04 0.97 -0.21 3hcpA1 VAL 284 HG23 -0.72 0.02 -0.01 -0.04 0.95 0.20 3hcpA1 GLN 285 H -0.21 0.53 -0.18 -0.55 8.47 8.06 3hcpA1 GLN 285 HA -0.20 0.01 0.31 -0.75 4.36 3.73 3hcpA1 GLN 285 HB2 -0.04 0.08 0.13 -0.04 2.15 2.27 3hcpA1 GLN 285 HB3 -0.05 0.06 0.08 -0.04 2.02 2.06 3hcpA1 GLN 285 HG2 0.04 -0.01 -0.02 -0.04 2.40 2.37 3hcpA1 GLN 285 HG3 0.05 -0.05 -0.01 -0.04 2.39 2.34 3hcpA1 GLN 285 HE21 0.23 0.02 -0.01 -0.04 6.97 7.16 3hcpA1 GLN 285 HE22 0.26 -0.01 -0.01 -0.04 7.69 7.90 3hcpA1 LYS 286 H -0.12 0.52 -0.14 -0.55 8.42 8.12 3hcpA1 LYS 286 HA -0.05 0.02 0.52 -0.75 4.32 4.05 3hcpA1 LYS 286 HB2 -0.04 0.22 0.21 -0.04 1.87 2.22 3hcpA1 LYS 286 HB3 -0.01 -0.04 -0.07 -0.04 1.79 1.63 3hcpA1 LYS 286 HG2 0.02 -0.02 0.03 -0.04 1.46 1.45 3hcpA1 LYS 286 HG3 0.01 -0.04 0.04 -0.04 1.46 1.43 3hcpA1 LYS 286 HD2 -0.01 -0.02 -0.00 -0.04 1.69 1.62 3hcpA1 LYS 286 HD3 -0.01 0.10 0.03 -0.04 1.68 1.75 3hcpA1 LYS 286 HE2 0.02 -0.04 -0.01 -0.04 2.99 2.92 3hcpA1 LYS 286 HE3 0.02 -0.01 0.00 -0.04 2.99 2.96 3hcpA1 VAL 287 H -0.17 0.62 -0.03 -0.55 8.24 8.11 3hcpA1 VAL 287 HA -0.02 0.01 0.57 -0.75 4.13 3.95 3hcpA1 VAL 287 HB -0.27 0.13 0.14 -0.04 2.12 2.08 3hcpA1 VAL 287 HG13 0.14 -0.02 -0.20 -0.04 0.97 0.85 3hcpA1 VAL 287 HG23 -0.02 0.04 0.04 -0.04 0.95 0.97 3hcpA1 MET 288 H -0.31 0.63 -0.06 -0.55 8.47 8.19 3hcpA1 MET 288 HA -0.19 0.01 0.39 -0.75 4.52 3.98 3hcpA1 MET 288 HB2 -0.36 0.09 0.11 -0.04 2.15 1.95 3hcpA1 MET 288 HB3 -0.31 -0.02 -0.01 -0.04 2.03 1.65 3hcpA1 MET 288 HG2 -0.69 0.08 -0.01 -0.04 2.63 1.97 3hcpA1 MET 288 HG3 -1.21 -0.01 -0.05 -0.04 2.56 1.26 3hcpA1 MET 288 HE3 0.10 -0.00 0.01 -0.04 2.10 2.17 3hcpA1 GLU 289 H -0.26 0.59 -0.15 -0.55 8.60 8.22 3hcpA1 GLU 289 HA -0.53 0.03 0.56 -0.75 4.29 3.59 3hcpA1 GLU 289 HB2 -0.09 0.09 0.22 -0.04 2.09 2.27 3hcpA1 GLU 289 HB3 -0.05 -0.05 0.01 -0.04 1.99 1.87 3hcpA1 GLU 289 HG2 0.12 -0.05 0.05 -0.04 2.34 2.42 3hcpA1 GLU 289 HG3 -0.01 0.26 0.11 -0.04 2.34 2.66 3hcpA1 ARG 290 H -0.11 0.50 -0.17 -0.55 8.46 8.14 3hcpA1 ARG 290 HA -0.04 0.02 0.41 -0.75 4.34 3.98 3hcpA1 ARG 290 HB2 -0.01 -0.01 0.12 -0.04 1.90 1.96 3hcpA1 ARG 290 HB3 -0.02 0.10 0.16 -0.04 1.80 2.00 3hcpA1 ARG 290 HG2 0.00 0.02 -0.11 -0.04 1.67 1.54 3hcpA1 ARG 290 HG3 0.01 -0.02 0.08 -0.04 1.67 1.69 3hcpA1 ARG 290 HD2 0.03 -0.03 -0.07 -0.04 3.22 3.12 3hcpA1 ARG 290 HD3 0.04 0.02 -0.14 -0.04 3.22 3.10 3hcpA1 LEU 291 H -0.13 0.38 -0.32 -0.55 8.37 7.75 3hcpA1 LEU 291 HA -0.03 0.08 0.46 -0.75 4.35 4.10 3hcpA1 LEU 291 HB2 -0.09 0.02 0.10 -0.04 1.64 1.63 3hcpA1 LEU 291 HB3 -0.03 -0.08 0.11 -0.04 1.64 1.60 3hcpA1 LEU 291 HG -0.01 0.09 -0.00 -0.04 1.64 1.67 3hcpA1 LEU 291 HD13 0.03 -0.03 -0.12 -0.04 0.93 0.77 3hcpA1 LEU 291 HD23 0.01 0.02 -0.01 -0.04 0.89 0.86 3hcpA1 GLU 292 H -0.14 0.39 -0.69 -0.55 8.60 7.61 3hcpA1 GLU 292 HA -0.05 0.05 0.30 -0.75 4.29 3.83 3hcpA1 GLU 292 HB2 0.02 0.10 -0.02 -0.04 2.09 2.14 3hcpA1 GLU 292 HB3 0.06 -0.05 0.15 -0.04 1.99 2.11 3hcpA1 GLU 292 HG2 0.01 0.02 0.03 -0.04 2.34 2.36 3hcpA1 GLU 292 HG3 -0.01 0.11 -0.19 -0.04 2.34 2.20 3hcpA1 TYR 293 H -0.41 0.52 -0.13 -0.55 8.29 7.71 3hcpA1 TYR 293 HA 0.09 -0.03 0.27 -0.75 4.56 4.13 3hcpA1 TYR 293 HB2 0.04 0.13 -0.20 -0.04 3.06 3.00 3hcpA1 TYR 293 HB3 0.07 -0.02 0.10 -0.04 2.98 3.09 3hcpA1 TYR 293 HD2 0.11 0.03 -0.14 -0.04 7.15 7.11 3hcpA1 TYR 293 HE2 0.07 -0.03 -0.05 -0.04 6.85 6.80 3hcpA1 CYS 294 H 0.03 0.13 -0.30 -0.55 8.50 7.81 3hcpA1 CYS 294 HA 0.05 0.08 0.33 -0.75 4.58 4.29 3hcpA1 CYS 294 HB2 0.01 -0.06 0.02 -0.04 2.97 2.89 3hcpA1 CYS 294 HB3 0.02 0.15 0.08 -0.04 2.97 3.17 3hcpA1 ASN 295 H 0.07 0.03 -0.14 -0.55 8.53 7.94 3hcpA1 ASN 295 HA 0.02 0.26 0.67 -0.75 4.76 4.95 3hcpA1 ASN 295 HB2 -0.01 -0.21 -0.04 -0.04 2.88 2.58 3hcpA1 ASN 295 HB3 -0.03 0.30 0.12 -0.04 2.79 3.14 3hcpA1 ASN 295 HD21 -0.11 0.24 0.14 -0.04 7.03 7.26 3hcpA1 ASN 295 HD22 -0.10 0.42 0.06 -0.04 7.74 8.08 3hcpA1 PRO 296 HA 0.09 0.07 0.69 -0.51 4.44 4.78 3hcpA1 PRO 296 HB2 -0.05 -0.01 0.02 -0.04 2.28 2.20 3hcpA1 PRO 296 HB3 -0.02 0.02 0.10 -0.04 2.02 2.08 3hcpA1 PRO 296 HG2 -0.02 -0.03 0.06 -0.04 2.03 2.00 3hcpA1 PRO 296 HG3 -0.02 0.04 0.05 -0.04 2.03 2.06 3hcpA1 PRO 296 HD2 -0.02 0.40 0.29 -0.04 3.68 4.31 3hcpA1 PRO 296 HD3 0.00 0.16 0.15 -0.04 3.65 3.92 3hcpA1 TYR 297 H -0.27 0.20 0.22 -0.55 8.29 7.90 3hcpA1 TYR 297 HA 0.01 0.33 0.96 -0.75 4.56 5.10 3hcpA1 TYR 297 HB2 0.27 0.01 0.02 -0.04 3.06 3.32 3hcpA1 TYR 297 HB3 0.15 0.04 -0.29 -0.04 2.98 2.83 3hcpA1 TYR 297 HD2 0.16 0.03 -0.23 -0.04 7.15 7.07 3hcpA1 TYR 297 HE2 0.11 -0.02 -0.06 -0.04 6.85 6.84 3hcpA1 ARG 298 H 0.14 0.54 0.37 -0.55 8.46 8.97 3hcpA1 ARG 298 HA 0.05 0.11 0.28 -0.75 4.34 4.03 3hcpA1 ARG 298 HB2 0.01 -0.04 -0.00 -0.04 1.90 1.83 3hcpA1 ARG 298 HB3 0.02 0.04 -0.01 -0.04 1.80 1.81 3hcpA1 ARG 298 HG2 -0.06 0.06 -0.26 -0.04 1.67 1.38 3hcpA1 ARG 298 HG3 -0.02 -0.03 -0.05 -0.04 1.67 1.54 3hcpA1 ARG 298 HD2 -0.01 -0.04 0.10 -0.04 3.22 3.23 3hcpA1 ARG 298 HD3 -0.11 0.12 0.22 -0.04 3.22 3.40 3hcpA1 LEU 299 H 0.11 0.19 0.11 -0.55 8.37 8.23 3hcpA1 LEU 299 HA -0.05 0.18 0.95 -0.75 4.35 4.68 3hcpA1 LEU 299 HB2 -0.10 -0.01 0.04 -0.04 1.64 1.53 3hcpA1 LEU 299 HB3 -0.03 0.01 0.14 -0.04 1.64 1.71 3hcpA1 LEU 299 HG -0.96 0.04 -0.34 -0.04 1.64 0.33 3hcpA1 LEU 299 HD13 -0.63 0.02 -0.11 -0.04 0.93 0.17 3hcpA1 LEU 299 HD23 -0.15 -0.01 -0.12 -0.04 0.89 0.56 3hcpA1 VAL 300 H -0.32 0.70 0.28 -0.55 8.24 8.36 3hcpA1 VAL 300 HA -0.24 0.25 0.74 -0.75 4.13 4.13 3hcpA1 VAL 300 HB -0.00 -0.01 -0.21 -0.04 2.12 1.85 3hcpA1 VAL 300 HG13 -0.01 0.00 -0.34 -0.04 0.97 0.58 3hcpA1 VAL 300 HG23 -0.07 0.00 -0.21 -0.04 0.95 0.63 3hcpA1 TRP 301 H 0.18 0.52 0.24 -0.55 7.97 8.37 3hcpA1 TRP 301 HA 0.11 0.31 0.83 -0.75 4.62 5.12 3hcpA1 TRP 301 HB2 0.13 0.12 0.08 -0.04 3.23 3.52 3hcpA1 TRP 301 HB3 0.19 -0.10 -0.04 -0.04 3.23 3.24 3hcpA1 TRP 301 HD1 0.08 0.02 -0.51 -0.04 7.22 6.76 3hcpA1 TRP 301 HE1 0.06 0.12 -0.16 -0.04 10.20 10.18 3hcpA1 TRP 301 HE3 0.25 0.14 -0.37 -0.04 7.59 7.57 3hcpA1 TRP 301 HZ2 0.01 0.05 -0.09 -0.04 7.44 7.37 3hcpA1 TRP 301 HZ3 -0.10 -0.05 -0.15 -0.04 7.13 6.78 3hcpA1 TRP 301 HH2 -0.12 0.00 -0.01 -0.04 7.19 7.02 3hcpA1 GLN 302 H 0.23 0.67 0.27 -0.55 8.47 9.09 3hcpA1 GLN 302 HA 0.13 0.07 1.17 -0.75 4.36 4.97 3hcpA1 GLN 302 HB2 0.11 -0.04 0.08 -0.04 2.15 2.26 3hcpA1 GLN 302 HB3 0.08 0.04 -0.10 -0.04 2.02 1.99 3hcpA1 GLN 302 HG2 -0.09 0.02 -0.39 -0.04 2.40 1.90 3hcpA1 GLN 302 HG3 -0.31 -0.01 -0.25 -0.04 2.39 1.78 3hcpA1 GLN 302 HE21 -0.08 0.18 -0.04 -0.04 6.97 6.99 3hcpA1 GLN 302 HE22 -0.10 -0.04 -0.05 -0.04 7.69 7.46 3hcpA1 SER 303 H 0.10 0.09 0.20 -0.55 8.46 8.30 3hcpA1 SER 303 HA -0.00 0.08 0.34 -0.75 4.49 4.16 3hcpA1 SER 303 HB2 0.03 0.07 0.17 -0.04 3.95 4.17 3hcpA1 SER 303 HB3 0.02 -0.01 0.07 -0.04 3.93 3.97 3hcpA1 LYS 304 H -0.14 -0.01 -0.19 -0.55 8.42 7.53 3hcpA1 LYS 304 HA -1.50 0.01 0.36 -0.75 4.32 2.44 3hcpA1 LYS 304 HB2 -1.40 0.08 -0.04 -0.04 1.87 0.47 3hcpA1 LYS 304 HB3 -0.25 -0.02 -0.02 -0.04 1.79 1.46 3hcpA1 LYS 304 HG2 -0.15 -0.14 -0.00 -0.04 1.46 1.13 3hcpA1 LYS 304 HG3 -0.33 0.05 -0.19 -0.04 1.46 0.94 3hcpA1 LYS 304 HD2 -0.02 -0.05 -0.07 -0.04 1.69 1.50 3hcpA1 LYS 304 HD3 -0.07 -0.02 -0.07 -0.04 1.68 1.49 3hcpA1 LYS 304 HE2 -0.28 0.16 -0.25 -0.04 2.99 2.58 3hcpA1 LYS 304 HE3 -0.32 -0.07 -0.16 -0.04 2.99 2.40 3hcpA1 VAL 305 H -1.93 0.10 0.17 -0.55 8.24 6.04 3hcpA1 VAL 305 HA -0.27 0.24 1.03 -0.75 4.13 4.37 3hcpA1 VAL 305 HB 0.02 -0.00 -0.06 -0.04 2.12 2.04 3hcpA1 VAL 305 HG13 -0.05 0.01 0.01 -0.04 0.97 0.91 3hcpA1 VAL 305 HG23 0.00 0.01 0.04 -0.04 0.95 0.96 3hcpA1 GLY 306 H -0.06 0.11 0.08 -0.55 8.43 8.01 3hcpA1 GLY 306 HA2 0.03 0.04 0.32 -0.51 4.01 3.89 3hcpA1 GLY 306 HA3 0.11 0.10 0.52 -0.51 4.01 4.22 3hcpA1 PRO 307 HA 0.05 0.18 0.55 -0.51 4.44 4.70 3hcpA1 PRO 307 HB2 0.05 0.04 0.06 -0.04 2.28 2.39 3hcpA1 PRO 307 HB3 0.03 0.01 0.05 -0.04 2.02 2.07 3hcpA1 PRO 307 HG2 0.06 0.05 -0.02 -0.04 2.03 2.08 3hcpA1 PRO 307 HG3 0.04 0.04 0.05 -0.04 2.03 2.12 3hcpA1 PRO 307 HD2 0.11 0.09 0.19 -0.04 3.68 4.03 3hcpA1 PRO 307 HD3 0.06 0.08 0.21 -0.04 3.65 3.95 3hcpA1 MET 308 H 0.22 0.05 -0.17 -0.55 8.47 8.03 3hcpA1 MET 308 HA 0.11 0.13 0.45 -0.75 4.52 4.46 3hcpA1 MET 308 HB2 0.24 -0.02 0.01 -0.04 2.15 2.34 3hcpA1 MET 308 HB3 0.07 0.03 0.14 -0.04 2.03 2.22 3hcpA1 MET 308 HG2 0.13 -0.05 0.04 -0.04 2.63 2.71 3hcpA1 MET 308 HG3 0.08 0.00 0.04 -0.04 2.56 2.63 3hcpA1 MET 308 HE3 0.02 0.00 0.04 -0.04 2.10 2.12 3hcpA1 PRO 309 HA 0.18 0.13 0.64 -0.51 4.44 4.88 3hcpA1 PRO 309 HB2 0.01 -0.12 0.11 -0.04 2.28 2.24 3hcpA1 PRO 309 HB3 0.05 0.09 0.11 -0.04 2.02 2.23 3hcpA1 PRO 309 HG2 0.02 0.04 0.10 -0.04 2.03 2.15 3hcpA1 PRO 309 HG3 0.05 0.11 0.08 -0.04 2.03 2.23 3hcpA1 PRO 309 HD2 0.02 0.00 0.23 -0.04 3.68 3.89 3hcpA1 PRO 309 HD3 0.06 0.14 0.23 -0.04 3.65 4.04 3hcpA1 TRP 310 H 0.35 0.26 0.19 -0.55 7.97 8.23 3hcpA1 TRP 310 HA -0.03 -0.05 0.88 -0.75 4.62 4.67 3hcpA1 TRP 310 HB2 0.03 0.02 -0.05 -0.04 3.23 3.18 3hcpA1 TRP 310 HB3 0.01 0.02 -0.08 -0.04 3.23 3.14 3hcpA1 TRP 310 HD1 0.02 0.28 -0.63 -0.04 7.22 6.85 3hcpA1 TRP 310 HE1 0.02 0.08 -0.07 -0.04 10.20 10.18 3hcpA1 TRP 310 HE3 0.05 -0.05 -0.49 -0.04 7.59 7.06 3hcpA1 TRP 310 HZ2 0.03 0.10 0.05 -0.04 7.44 7.58 3hcpA1 TRP 310 HZ3 0.06 0.22 -0.19 -0.04 7.13 7.18 3hcpA1 TRP 310 HH2 0.03 0.04 0.01 -0.04 7.19 7.22 3hcpA1 LEU 311 H 0.07 0.56 0.23 -0.55 8.37 8.68 3hcpA1 LEU 311 HA -0.08 0.06 0.41 -0.75 4.35 3.99 3hcpA1 LEU 311 HB2 -0.29 -0.02 0.10 -0.04 1.64 1.39 3hcpA1 LEU 311 HB3 -0.39 -0.20 0.21 -0.04 1.64 1.21 3hcpA1 LEU 311 HG -1.18 0.13 -0.24 -0.04 1.64 0.32 3hcpA1 LEU 311 HD13 -0.21 -0.01 0.05 -0.04 0.93 0.71 3hcpA1 LEU 311 HD23 -1.25 -0.02 -0.02 -0.04 0.89 -0.45 3hcpA1 GLY 312 H 0.03 0.14 0.22 -0.55 8.43 8.27 3hcpA1 GLY 312 HA2 0.29 0.21 0.65 -0.51 4.01 4.65 3hcpA1 GLY 312 HA3 0.15 -0.05 0.31 -0.51 4.01 3.91 3hcpA1 PRO 313 HA 0.13 0.02 0.38 -0.51 4.44 4.46 3hcpA1 PRO 313 HB2 0.07 0.08 -0.09 -0.04 2.28 2.30 3hcpA1 PRO 313 HB3 0.08 0.06 0.08 -0.04 2.02 2.20 3hcpA1 PRO 313 HG2 0.10 0.00 0.03 -0.04 2.03 2.12 3hcpA1 PRO 313 HG3 0.09 0.09 0.07 -0.04 2.03 2.24 3hcpA1 PRO 313 HD2 0.33 0.19 0.25 -0.04 3.68 4.42 3hcpA1 PRO 313 HD3 0.19 0.12 0.35 -0.04 3.65 4.27 3hcpA1 GLN 314 H 0.09 0.12 0.16 -0.55 8.47 8.29 3hcpA1 GLN 314 HA 0.16 0.44 0.77 -0.75 4.36 4.97 3hcpA1 GLN 314 HB2 0.00 -0.14 0.12 -0.04 2.15 2.10 3hcpA1 GLN 314 HB3 0.02 -0.09 0.17 -0.04 2.02 2.07 3hcpA1 GLN 314 HG2 0.07 0.06 0.03 -0.04 2.40 2.52 3hcpA1 GLN 314 HG3 0.08 -0.02 0.10 -0.04 2.39 2.50 3hcpA1 GLN 314 HE21 0.01 0.07 -0.00 -0.04 6.97 7.01 3hcpA1 GLN 314 HE22 0.04 0.02 0.01 -0.04 7.69 7.72 3hcpA1 THR 315 H 0.06 0.40 0.16 -0.55 8.28 8.35 3hcpA1 THR 315 HA -0.04 0.17 0.30 -0.75 4.39 4.06 3hcpA1 THR 315 HB 0.08 -0.12 0.02 -0.04 4.32 4.27 3hcpA1 THR 315 HG23 0.01 0.04 -0.18 -0.04 1.22 1.04 3hcpA1 ASP 316 H -0.26 0.03 -0.07 -0.55 8.40 7.55 3hcpA1 ASP 316 HA -0.74 0.14 0.40 -0.75 4.63 3.68 3hcpA1 ASP 316 HB2 -0.38 0.11 0.00 -0.04 2.71 2.41 3hcpA1 ASP 316 HB3 -0.99 -0.01 0.07 -0.04 2.70 1.73 3hcpA1 GLU 317 H -0.10 0.02 -0.18 -0.55 8.60 7.79 3hcpA1 GLU 317 HA -0.07 0.10 0.45 -0.75 4.29 4.02 3hcpA1 GLU 317 HB2 -0.02 -0.02 0.07 -0.04 2.09 2.08 3hcpA1 GLU 317 HB3 -0.02 0.08 -0.00 -0.04 1.99 2.01 3hcpA1 GLU 317 HG2 -0.03 0.06 0.02 -0.04 2.34 2.35 3hcpA1 GLU 317 HG3 -0.03 -0.11 0.05 -0.04 2.34 2.21 3hcpA1 SER 318 H -0.07 0.37 -0.39 -0.55 8.46 7.83 3hcpA1 SER 318 HA -0.03 0.05 0.43 -0.75 4.49 4.19 3hcpA1 SER 318 HB2 -0.05 0.07 0.05 -0.04 3.95 3.98 3hcpA1 SER 318 HB3 -0.03 0.02 -0.08 -0.04 3.93 3.80 3hcpA1 ILE 319 H -0.12 0.47 -0.11 -0.55 8.25 7.94 3hcpA1 ILE 319 HA -0.05 0.07 0.43 -0.75 4.18 3.88 3hcpA1 ILE 319 HB -0.17 0.04 0.13 -0.04 1.89 1.85 3hcpA1 ILE 319 HG12 -0.05 0.02 -0.06 -0.04 1.49 1.36 3hcpA1 ILE 319 HG13 -0.12 0.15 0.03 -0.04 1.21 1.23 3hcpA1 ILE 319 HG23 -0.04 0.02 -0.20 -0.04 0.93 0.66 3hcpA1 ILE 319 HD13 -0.10 -0.04 -0.13 -0.04 0.88 0.56 3hcpA1 LYS 320 H -0.09 0.42 -0.13 -0.55 8.42 8.06 3hcpA1 LYS 320 HA -0.04 0.07 0.36 -0.75 4.32 3.96 3hcpA1 LYS 320 HB2 -0.06 -0.02 0.08 -0.04 1.87 1.82 3hcpA1 LYS 320 HB3 -0.05 0.01 0.14 -0.04 1.79 1.84 3hcpA1 LYS 320 HG2 -0.03 0.02 -0.19 -0.04 1.46 1.22 3hcpA1 LYS 320 HG3 -0.03 0.04 -0.00 -0.04 1.46 1.43 3hcpA1 LYS 320 HD2 -0.03 0.01 -0.04 -0.04 1.69 1.60 3hcpA1 LYS 320 HD3 -0.04 -0.07 -0.03 -0.04 1.68 1.50 3hcpA1 LYS 320 HE2 -0.02 -0.04 -0.03 -0.04 2.99 2.86 3hcpA1 LYS 320 HE3 -0.02 -0.01 -0.05 -0.04 2.99 2.88 3hcpA1 GLY 321 H -0.04 0.69 -0.11 -0.55 8.43 8.43 3hcpA1 GLY 321 HA2 -0.02 -0.02 0.39 -0.51 4.01 3.85 3hcpA1 GLY 321 HA3 -0.02 0.02 0.28 -0.51 4.01 3.78 3hcpA1 LEU 322 H -0.03 0.68 -0.15 -0.55 8.37 8.33 3hcpA1 LEU 322 HA -0.02 -0.02 0.43 -0.75 4.35 3.98 3hcpA1 LEU 322 HB2 -0.03 0.08 0.17 -0.04 1.64 1.83 3hcpA1 LEU 322 HB3 -0.02 0.10 0.00 -0.04 1.64 1.68 3hcpA1 LEU 322 HG -0.03 0.04 0.03 -0.04 1.64 1.64 3hcpA1 LEU 322 HD13 -0.03 -0.04 -0.15 -0.04 0.93 0.68 3hcpA1 LEU 322 HD23 -0.02 -0.02 -0.05 -0.04 0.89 0.76 3hcpA1 CYS 323 H -0.02 0.53 -0.08 -0.55 8.50 8.38 3hcpA1 CYS 323 HA -0.01 0.03 0.26 -0.75 4.58 4.10 3hcpA1 CYS 323 HB2 -0.02 0.04 0.12 -0.04 2.97 3.07 3hcpA1 CYS 323 HB3 -0.01 0.21 -0.10 -0.04 2.97 3.03 3hcpA1 GLU 324 H -0.02 0.56 -0.16 -0.55 8.60 8.44 3hcpA1 GLU 324 HA -0.01 0.04 0.38 -0.75 4.29 3.95 3hcpA1 GLU 324 HB2 -0.01 0.08 0.13 -0.04 2.09 2.24 3hcpA1 GLU 324 HB3 -0.01 -0.09 0.04 -0.04 1.99 1.89 3hcpA1 GLU 324 HG2 -0.01 -0.02 0.04 -0.04 2.34 2.31 3hcpA1 GLU 324 HG3 -0.01 0.16 0.06 -0.04 2.34 2.51 3hcpA1 ARG 325 H -0.01 0.39 -0.46 -0.55 8.46 7.83 3hcpA1 ARG 325 HA -0.01 0.10 0.81 -0.75 4.34 4.49 3hcpA1 ARG 325 HB2 -0.01 0.07 0.14 -0.04 1.90 2.05 3hcpA1 ARG 325 HB3 -0.01 -0.08 0.19 -0.04 1.80 1.85 3hcpA1 ARG 325 HG2 -0.01 -0.06 -0.02 -0.04 1.67 1.54 3hcpA1 ARG 325 HG3 -0.01 -0.02 -0.16 -0.04 1.67 1.43 3hcpA1 ARG 325 HD2 -0.01 0.09 -0.10 -0.04 3.22 3.15 3hcpA1 ARG 325 HD3 -0.01 -0.06 -0.02 -0.04 3.22 3.09 3hcpA1 GLY 326 H -0.01 0.54 -0.34 -0.55 8.43 8.08 3hcpA1 GLY 326 HA2 -0.01 0.02 0.28 -0.51 4.01 3.79 3hcpA1 GLY 326 HA3 -0.01 0.01 0.32 -0.51 4.01 3.83 3hcpA1 ARG 327 H -0.01 0.60 -0.27 -0.55 8.46 8.23 3hcpA1 ARG 327 HA -0.02 0.11 0.82 -0.75 4.34 4.50 3hcpA1 ARG 327 HB2 -0.02 -0.08 0.06 -0.04 1.90 1.82 3hcpA1 ARG 327 HB3 -0.03 0.00 0.01 -0.04 1.80 1.75 3hcpA1 ARG 327 HG2 -0.02 0.10 -0.11 -0.04 1.67 1.59 3hcpA1 ARG 327 HG3 -0.02 -0.07 -0.03 -0.04 1.67 1.50 3hcpA1 ARG 327 HD2 -0.02 0.08 -0.41 -0.04 3.22 2.83 3hcpA1 ARG 327 HD3 -0.02 -0.03 -0.06 -0.04 3.22 3.06 3hcpA1 LYS 328 H -0.00 0.24 0.03 -0.55 8.42 8.13 3hcpA1 LYS 328 HA 0.01 0.18 0.50 -0.75 4.32 4.25 3hcpA1 LYS 328 HB2 0.01 0.05 0.03 -0.04 1.87 1.92 3hcpA1 LYS 328 HB3 0.01 -0.23 0.20 -0.04 1.79 1.74 3hcpA1 LYS 328 HG2 -0.00 0.03 -0.18 -0.04 1.46 1.27 3hcpA1 LYS 328 HG3 -0.00 -0.07 -0.42 -0.04 1.46 0.93 3hcpA1 LYS 328 HD2 0.00 -0.06 -0.02 -0.04 1.69 1.57 3hcpA1 LYS 328 HD3 0.00 0.16 0.02 -0.04 1.68 1.83 3hcpA1 LYS 328 HE2 -0.00 0.11 -0.03 -0.04 2.99 3.02 3hcpA1 LYS 328 HE3 -0.00 0.05 0.01 -0.04 2.99 3.01 3hcpA1 ASN 329 H -0.00 0.20 -0.14 -0.55 8.53 8.04 3hcpA1 ASN 329 HA 0.14 0.34 1.03 -0.75 4.76 5.51 3hcpA1 ASN 329 HB2 -0.05 0.07 0.02 -0.04 2.88 2.88 3hcpA1 ASN 329 HB3 -0.06 0.04 -0.01 -0.04 2.79 2.71 3hcpA1 ASN 329 HD21 0.03 0.02 -0.10 -0.04 7.03 6.94 3hcpA1 ASN 329 HD22 0.01 -0.01 -0.08 -0.04 7.74 7.62 3hcpA1 ILE 330 H 0.18 0.65 0.32 -0.55 8.25 8.85 3hcpA1 ILE 330 HA -0.02 0.28 0.94 -0.75 4.18 4.63 3hcpA1 ILE 330 HB 0.05 -0.05 0.08 -0.04 1.89 1.93 3hcpA1 ILE 330 HG12 -0.02 0.06 -0.21 -0.04 1.49 1.28 3hcpA1 ILE 330 HG13 0.01 -0.11 -0.55 -0.04 1.21 0.52 3hcpA1 ILE 330 HG23 -0.01 -0.02 -0.21 -0.04 0.93 0.65 3hcpA1 ILE 330 HD13 -0.01 0.00 -0.06 -0.04 0.88 0.77 3hcpA1 LEU 331 H -0.04 0.80 0.30 -0.55 8.37 8.89 3hcpA1 LEU 331 HA 0.19 0.21 0.97 -0.75 4.35 4.97 3hcpA1 LEU 331 HB2 0.10 0.04 -0.12 -0.04 1.64 1.62 3hcpA1 LEU 331 HB3 -0.08 -0.01 0.01 -0.04 1.64 1.52 3hcpA1 LEU 331 HG -0.07 -0.07 -0.43 -0.04 1.64 1.03 3hcpA1 LEU 331 HD13 0.13 0.03 -0.25 -0.04 0.93 0.80 3hcpA1 LEU 331 HD23 0.00 -0.00 -0.13 -0.04 0.89 0.72 3hcpA1 LEU 332 H 0.02 0.80 0.36 -0.55 8.37 9.00 3hcpA1 LEU 332 HA -0.08 0.20 0.75 -0.75 4.35 4.47 3hcpA1 LEU 332 HB2 -0.01 -0.02 0.16 -0.04 1.64 1.73 3hcpA1 LEU 332 HB3 -0.02 -0.10 -0.04 -0.04 1.64 1.44 3hcpA1 LEU 332 HG 0.01 0.11 -0.10 -0.04 1.64 1.63 3hcpA1 LEU 332 HD13 0.04 -0.03 -0.12 -0.04 0.93 0.78 3hcpA1 LEU 332 HD23 -0.00 -0.01 -0.12 -0.04 0.89 0.72 3hcpA1 VAL 333 H -0.15 0.64 0.29 -0.55 8.24 8.46 3hcpA1 VAL 333 HA -0.06 0.20 0.93 -0.75 4.13 4.44 3hcpA1 VAL 333 HB -0.48 -0.09 0.09 -0.04 2.12 1.59 3hcpA1 VAL 333 HG13 -0.05 0.00 -0.24 -0.04 0.97 0.65 3hcpA1 VAL 333 HG23 -0.36 0.04 -0.32 -0.04 0.95 0.27 3hcpA1 PRO 334 HA 0.05 0.21 0.76 -0.51 4.44 4.94 3hcpA1 PRO 334 HB2 0.10 0.05 0.14 -0.04 2.28 2.52 3hcpA1 PRO 334 HB3 0.10 -0.09 0.08 -0.04 2.02 2.07 3hcpA1 PRO 334 HG2 -0.02 0.02 0.01 -0.04 2.03 1.99 3hcpA1 PRO 334 HG3 -0.01 -0.01 -0.02 -0.04 2.03 1.95 3hcpA1 PRO 334 HD2 0.03 0.22 0.10 -0.04 3.68 3.99 3hcpA1 PRO 334 HD3 -0.02 0.22 -0.07 -0.04 3.65 3.75 3hcpA1 ILE 335 H 0.01 0.36 0.28 -0.55 8.25 8.35 3hcpA1 ILE 335 HA -0.56 0.23 0.54 -0.75 4.18 3.64 3hcpA1 ILE 335 HB -0.00 0.08 -0.04 -0.04 1.89 1.89 3hcpA1 ILE 335 HG12 -0.45 -0.00 -0.06 -0.04 1.49 0.94 3hcpA1 ILE 335 HG13 -0.45 -0.03 0.07 -0.04 1.21 0.75 3hcpA1 ILE 335 HG23 -0.16 -0.00 -0.25 -0.04 0.93 0.48 3hcpA1 ILE 335 HD13 -0.85 0.03 -0.08 -0.04 0.88 -0.06 3hcpA1 ALA 336 H 0.18 0.03 0.02 -0.55 8.40 8.08 3hcpA1 ALA 336 HA 0.06 0.29 1.01 -0.75 4.34 4.95 3hcpA1 ALA 336 HB3 0.21 -0.02 0.08 -0.04 1.41 1.64 3hcpA1 PHE 337 H 0.34 0.29 -0.01 -0.55 8.34 8.41 3hcpA1 PHE 337 HA 0.12 0.17 0.66 -0.75 4.62 4.82 3hcpA1 PHE 337 HB2 0.36 -0.06 0.01 -0.04 3.15 3.42 3hcpA1 PHE 337 HB3 0.28 0.04 0.02 -0.04 3.06 3.35 3hcpA1 PHE 337 HD2 0.21 -0.06 -0.05 -0.04 7.28 7.33 3hcpA1 PHE 337 HE2 -0.11 -0.04 0.02 -0.04 7.38 7.21 3hcpA1 PHE 337 HZ 0.04 -0.00 0.04 -0.04 7.32 7.36 3hcpA1 THR 338 H 0.19 0.16 0.15 -0.55 8.28 8.23 3hcpA1 THR 338 HA -0.16 0.24 0.71 -0.75 4.39 4.43 3hcpA1 THR 338 HB -0.71 0.01 0.13 -0.04 4.32 3.70 3hcpA1 THR 338 HG23 0.08 0.03 -0.10 -0.04 1.22 1.19 3hcpA1 SER 339 H 0.20 0.13 -0.01 -0.55 8.46 8.23 3hcpA1 SER 339 HA -0.26 0.01 0.49 -0.75 4.49 3.97 3hcpA1 SER 339 HB2 -0.02 -0.01 0.14 -0.04 3.95 4.02 3hcpA1 SER 339 HB3 0.09 0.06 -0.15 -0.04 3.93 3.90 3hcpA1 ASP 340 H -0.28 0.14 0.09 -0.55 8.40 7.80 3hcpA1 ASP 340 HA -0.22 0.06 0.59 -0.75 4.63 4.31 3hcpA1 ASP 340 HB2 0.16 0.02 0.08 -0.04 2.71 2.93 3hcpA1 ASP 340 HB3 0.02 0.03 0.03 -0.04 2.70 2.75 3hcpA1 HIS 341 H -0.37 0.24 0.31 -0.55 8.41 8.04 3hcpA1 HIS 341 HA 0.02 0.13 0.49 -0.75 4.63 4.51 3hcpA1 HIS 341 HB2 -0.14 -0.08 0.14 -0.04 3.26 3.15 3hcpA1 HIS 341 HB3 -0.11 0.18 -0.09 -0.04 3.20 3.14 3hcpA1 HIS 341 HD2 -0.32 0.20 -0.11 -0.04 6.97 6.69 3hcpA1 HIS 341 HE1 0.02 0.05 -0.09 -0.04 7.75 7.68 3hcpA1 ILE 342 H 0.11 0.22 0.13 -0.55 8.25 8.16 3hcpA1 ILE 342 HA -0.13 0.15 0.24 -0.75 4.18 3.68 3hcpA1 ILE 342 HB -0.50 0.06 0.08 -0.04 1.89 1.49 3hcpA1 ILE 342 HG12 -0.58 0.08 -0.05 -0.04 1.49 0.90 3hcpA1 ILE 342 HG13 -0.22 -0.09 -0.06 -0.04 1.21 0.80 3hcpA1 ILE 342 HG23 -0.00 0.01 -0.00 -0.04 0.93 0.89 3hcpA1 ILE 342 HD13 -0.93 0.02 -0.18 -0.04 0.88 -0.25 3hcpA1 GLU 343 H 0.51 0.10 -0.23 -0.55 8.60 8.43 3hcpA1 GLU 343 HA 0.03 0.08 0.57 -0.75 4.29 4.22 3hcpA1 GLU 343 HB2 0.36 0.04 -0.04 -0.04 2.09 2.41 3hcpA1 GLU 343 HB3 0.04 0.03 0.08 -0.04 1.99 2.10 3hcpA1 GLU 343 HG2 0.21 -0.12 0.02 -0.04 2.34 2.41 3hcpA1 GLU 343 HG3 0.77 0.07 -0.01 -0.04 2.34 3.13 3hcpA1 THR 344 H -0.34 0.16 -0.16 -0.55 8.28 7.39 3hcpA1 THR 344 HA -0.14 0.16 0.79 -0.75 4.39 4.45 3hcpA1 THR 344 HB -0.15 0.15 0.04 -0.04 4.32 4.32 3hcpA1 THR 344 HG23 -0.34 0.01 -0.02 -0.04 1.22 0.83 3hcpA1 LEU 345 H -0.13 0.33 0.08 -0.55 8.37 8.11 3hcpA1 LEU 345 HA -0.07 0.15 0.28 -0.75 4.35 3.96 3hcpA1 LEU 345 HB2 -0.04 -0.05 0.04 -0.04 1.64 1.55 3hcpA1 LEU 345 HB3 -0.01 0.14 0.02 -0.04 1.64 1.76 3hcpA1 LEU 345 HG -0.05 -0.20 0.08 -0.04 1.64 1.43 3hcpA1 LEU 345 HD13 0.06 0.02 -0.04 -0.04 0.93 0.93 3hcpA1 LEU 345 HD23 -0.01 0.03 -0.01 -0.04 0.89 0.87 3hcpA1 TYR 346 H -0.01 0.36 -0.10 -0.55 8.29 7.99 3hcpA1 TYR 346 HA -0.12 0.29 0.88 -0.75 4.56 4.86 3hcpA1 TYR 346 HB2 -0.17 0.07 0.02 -0.04 3.06 2.94 3hcpA1 TYR 346 HB3 -0.18 0.05 0.20 -0.04 2.98 3.01 3hcpA1 TYR 346 HD2 -0.12 0.02 -0.03 -0.04 7.15 6.98 3hcpA1 TYR 346 HE2 -0.07 0.03 -0.02 -0.04 6.85 6.76 3hcpA1 GLU 347 H -0.03 0.25 0.11 -0.55 8.60 8.38 3hcpA1 GLU 347 HA -0.52 0.02 0.26 -0.75 4.29 3.29 3hcpA1 GLU 347 HB2 -0.07 -0.02 0.16 -0.04 2.09 2.12 3hcpA1 GLU 347 HB3 -0.22 0.21 0.25 -0.04 1.99 2.19 3hcpA1 GLU 347 HG2 -1.07 0.00 -0.09 -0.04 2.34 1.14 3hcpA1 GLU 347 HG3 -0.53 0.01 0.07 -0.04 2.34 1.85 3hcpA1 LEU 348 H -0.23 0.38 -0.09 -0.55 8.37 7.89 3hcpA1 LEU 348 HA -0.22 0.00 0.41 -0.75 4.35 3.79 3hcpA1 LEU 348 HB2 -0.11 0.13 0.19 -0.04 1.64 1.81 3hcpA1 LEU 348 HB3 -0.05 0.04 -0.04 -0.04 1.64 1.55 3hcpA1 LEU 348 HG -0.10 0.19 0.13 -0.04 1.64 1.82 3hcpA1 LEU 348 HD13 -0.03 -0.02 -0.06 -0.04 0.93 0.78 3hcpA1 LEU 348 HD23 0.08 -0.02 -0.10 -0.04 0.89 0.81 3hcpA1 ASP 349 H -0.16 0.38 -0.26 -0.55 8.40 7.80 3hcpA1 ASP 349 HA -0.09 0.09 0.37 -0.75 4.63 4.25 3hcpA1 ASP 349 HB2 -0.10 0.16 0.08 -0.04 2.71 2.81 3hcpA1 ASP 349 HB3 -0.08 0.03 0.03 -0.04 2.70 2.64 3hcpA1 ILE 350 H -0.29 0.40 -0.30 -0.55 8.25 7.51 3hcpA1 ILE 350 HA -0.14 0.24 0.92 -0.75 4.18 4.44 3hcpA1 ILE 350 HB -0.52 0.01 0.21 -0.04 1.89 1.55 3hcpA1 ILE 350 HG12 -0.08 0.02 -0.03 -0.04 1.49 1.36 3hcpA1 ILE 350 HG13 -0.12 0.01 -0.14 -0.04 1.21 0.92 3hcpA1 ILE 350 HG23 -0.17 -0.01 -0.08 -0.04 0.93 0.63 3hcpA1 ILE 350 HD13 0.02 -0.02 0.03 -0.04 0.88 0.87 3hcpA1 GLU 351 H -0.57 0.45 0.14 -0.55 8.60 8.08 3hcpA1 GLU 351 HA -0.18 0.04 0.32 -0.75 4.29 3.71 3hcpA1 GLU 351 HB2 -0.54 -0.02 0.09 -0.04 2.09 1.57 3hcpA1 GLU 351 HB3 -0.56 0.13 0.26 -0.04 1.99 1.77 3hcpA1 GLU 351 HG2 0.15 -0.01 -0.13 -0.04 2.34 2.31 3hcpA1 GLU 351 HG3 -0.01 0.02 0.05 -0.04 2.34 2.35 3hcpA1 TYR 352 H -0.22 0.48 -0.02 -0.55 8.29 7.97 3hcpA1 TYR 352 HA -0.06 0.05 0.66 -0.75 4.56 4.45 3hcpA1 TYR 352 HB2 -0.07 0.15 0.13 -0.04 3.06 3.23 3hcpA1 TYR 352 HB3 -0.05 0.01 -0.04 -0.04 2.98 2.86 3hcpA1 TYR 352 HD2 -0.06 0.05 -0.26 -0.04 7.15 6.84 3hcpA1 TYR 352 HE2 -0.04 -0.04 -0.05 -0.04 6.85 6.68 3hcpA1 SER 353 H -0.01 0.37 -0.16 -0.55 8.46 8.12 3hcpA1 SER 353 HA 0.01 0.06 0.46 -0.75 4.49 4.27 3hcpA1 SER 353 HB2 -0.05 0.16 0.06 -0.04 3.95 4.07 3hcpA1 SER 353 HB3 -0.03 0.05 -0.01 -0.04 3.93 3.90 3hcpA1 GLN 354 H -0.06 0.23 -0.28 -0.55 8.47 7.82 3hcpA1 GLN 354 HA -0.03 0.20 0.86 -0.75 4.36 4.63 3hcpA1 GLN 354 HB2 -0.08 0.10 0.29 -0.04 2.15 2.43 3hcpA1 GLN 354 HB3 -0.05 -0.06 -0.06 -0.04 2.02 1.81 3hcpA1 GLN 354 HG2 -0.04 -0.06 0.04 -0.04 2.40 2.30 3hcpA1 GLN 354 HG3 -0.04 0.01 0.09 -0.04 2.39 2.42 3hcpA1 GLN 354 HE21 -0.06 -0.02 -0.01 -0.04 6.97 6.84 3hcpA1 GLN 354 HE22 -0.06 -0.10 0.06 -0.04 7.69 7.54 3hcpA1 VAL 355 H -0.03 0.23 -0.11 -0.55 8.24 7.79 3hcpA1 VAL 355 HA -0.01 0.15 0.53 -0.75 4.13 4.05 3hcpA1 VAL 355 HB -0.02 0.14 0.26 -0.04 2.12 2.46 3hcpA1 VAL 355 HG13 0.00 -0.01 -0.08 -0.04 0.97 0.84 3hcpA1 VAL 355 HG23 -0.04 0.01 -0.06 -0.04 0.95 0.83 3hcpA1 LEU 356 H 0.03 0.56 0.24 -0.55 8.37 8.65 3hcpA1 LEU 356 HA 0.00 0.02 0.42 -0.75 4.35 4.04 3hcpA1 LEU 356 HB2 0.05 -0.02 0.19 -0.04 1.64 1.82 3hcpA1 LEU 356 HB3 0.05 0.14 0.30 -0.04 1.64 2.08 3hcpA1 LEU 356 HG -0.05 0.05 -0.24 -0.04 1.64 1.37 3hcpA1 LEU 356 HD13 -0.03 -0.01 0.01 -0.04 0.93 0.86 3hcpA1 LEU 356 HD23 -0.20 0.01 0.03 -0.04 0.89 0.69 3hcpA1 ALA 357 H 0.01 0.47 -0.21 -0.55 8.40 8.13 3hcpA1 ALA 357 HA -0.01 0.00 0.27 -0.75 4.34 3.85 3hcpA1 ALA 357 HB3 0.00 0.06 -0.02 -0.04 1.41 1.41 3hcpA1 LYS 358 H -0.01 0.17 -0.62 -0.55 8.42 7.41 3hcpA1 LYS 358 HA -0.01 0.09 0.42 -0.75 4.32 4.06 3hcpA1 LYS 358 HB2 -0.01 0.15 0.10 -0.04 1.87 2.07 3hcpA1 LYS 358 HB3 -0.01 0.06 0.12 -0.04 1.79 1.92 3hcpA1 LYS 358 HG2 -0.01 -0.04 0.00 -0.04 1.46 1.37 3hcpA1 LYS 358 HG3 -0.01 -0.03 -0.11 -0.04 1.46 1.27 3hcpA1 LYS 358 HD2 -0.01 0.03 0.05 -0.04 1.69 1.72 3hcpA1 LYS 358 HD3 -0.01 0.02 0.04 -0.04 1.68 1.68 3hcpA1 LYS 358 HE2 -0.01 -0.00 0.02 -0.04 2.99 2.95 3hcpA1 LYS 358 HE3 -0.01 -0.04 0.01 -0.04 2.99 2.90 3hcpA1 GLU 359 H -0.01 0.49 -0.04 -0.55 8.60 8.50 3hcpA1 GLU 359 HA -0.01 0.01 0.51 -0.75 4.29 4.05 3hcpA1 GLU 359 HB2 -0.00 -0.04 0.12 -0.04 2.09 2.12 3hcpA1 GLU 359 HB3 -0.01 0.11 0.20 -0.04 1.99 2.26 3hcpA1 GLU 359 HG2 -0.01 0.05 -0.24 -0.04 2.34 2.10 3hcpA1 GLU 359 HG3 -0.00 -0.05 0.03 -0.04 2.34 2.27 3hcpA1 CYS 360 H -0.01 0.40 -0.36 -0.55 8.50 7.98 3hcpA1 CYS 360 HA -0.01 0.09 0.55 -0.75 4.58 4.46 3hcpA1 CYS 360 HB2 -0.01 0.03 -0.04 -0.04 2.97 2.91 3hcpA1 CYS 360 HB3 -0.02 -0.02 0.06 -0.04 2.97 2.95 3hcpA1 GLY 361 H -0.01 0.30 -0.35 -0.55 8.43 7.82 3hcpA1 GLY 361 HA2 -0.00 0.03 0.27 -0.51 4.01 3.80 3hcpA1 GLY 361 HA3 -0.00 0.03 0.44 -0.51 4.01 3.96 3hcpA1 VAL 362 H -0.00 0.53 0.06 -0.55 8.24 8.28 3hcpA1 VAL 362 HA 0.01 0.01 0.32 -0.75 4.13 3.72 3hcpA1 VAL 362 HB 0.00 0.03 0.06 -0.04 2.12 2.17 3hcpA1 VAL 362 HG13 0.00 -0.02 -0.40 -0.04 0.97 0.51 3hcpA1 VAL 362 HG23 0.02 0.02 -0.10 -0.04 0.95 0.85 3hcpA1 GLU 363 H 0.02 0.35 0.31 -0.55 8.60 8.74 3hcpA1 GLU 363 HA 0.01 0.13 0.83 -0.75 4.29 4.51 3hcpA1 GLU 363 HB2 0.04 0.01 0.09 -0.04 2.09 2.19 3hcpA1 GLU 363 HB3 0.03 -0.07 -0.01 -0.04 1.99 1.91 3hcpA1 GLU 363 HG2 0.01 -0.00 0.02 -0.04 2.34 2.33 3hcpA1 GLU 363 HG3 0.01 0.08 0.02 -0.04 2.34 2.41 3hcpA1 ASN 364 H 0.08 0.53 0.31 -0.55 8.53 8.90 3hcpA1 ASN 364 HA 0.00 0.16 0.70 -0.75 4.76 4.86 3hcpA1 ASN 364 HB2 0.34 -0.08 0.14 -0.04 2.88 3.25 3hcpA1 ASN 364 HB3 -0.04 0.02 -0.02 -0.04 2.79 2.71 3hcpA1 ASN 364 HD21 0.07 -0.01 -0.10 -0.04 7.03 6.95 3hcpA1 ASN 364 HD22 0.13 -0.05 -0.12 -0.04 7.74 7.66 3hcpA1 ILE 365 H -0.02 0.27 0.08 -0.55 8.25 8.03 3hcpA1 ILE 365 HA 0.12 0.33 0.83 -0.75 4.18 4.71 3hcpA1 ILE 365 HB 0.03 0.00 0.02 -0.04 1.89 1.90 3hcpA1 ILE 365 HG12 0.01 -0.06 -0.20 -0.04 1.49 1.20 3hcpA1 ILE 365 HG13 0.05 0.14 0.03 -0.04 1.21 1.39 3hcpA1 ILE 365 HG23 -0.01 -0.01 0.06 -0.04 0.93 0.92 3hcpA1 ILE 365 HD13 0.02 -0.02 -0.12 -0.04 0.88 0.72 3hcpA1 ARG 366 H 0.11 0.60 0.33 -0.55 8.46 8.94 3hcpA1 ARG 366 HA -0.10 0.16 0.81 -0.75 4.34 4.46 3hcpA1 ARG 366 HB2 -0.11 -0.00 -0.07 -0.04 1.90 1.67 3hcpA1 ARG 366 HB3 -0.14 -0.01 -0.00 -0.04 1.80 1.61 3hcpA1 ARG 366 HG2 -0.35 0.08 -0.18 -0.04 1.67 1.18 3hcpA1 ARG 366 HG3 -0.97 -0.05 -0.36 -0.04 1.67 0.24 3hcpA1 ARG 366 HD2 -0.74 0.09 -0.28 -0.04 3.22 2.26 3hcpA1 ARG 366 HD3 -0.83 0.08 -0.21 -0.04 3.22 2.22 3hcpA1 ARG 367 H -0.04 0.26 0.13 -0.55 8.46 8.25 3hcpA1 ARG 367 HA -0.01 0.24 0.99 -0.75 4.34 4.81 3hcpA1 ARG 367 HB2 -0.03 -0.04 -0.11 -0.04 1.90 1.68 3hcpA1 ARG 367 HB3 -0.04 -0.03 0.03 -0.04 1.80 1.72 3hcpA1 ARG 367 HG2 -0.03 0.35 -0.27 -0.04 1.67 1.68 3hcpA1 ARG 367 HG3 -0.03 -0.00 -0.05 -0.04 1.67 1.54 3hcpA1 ARG 367 HD2 -0.06 -0.11 -0.05 -0.04 3.22 2.96 3hcpA1 ARG 367 HD3 -0.06 -0.06 -0.08 -0.04 3.22 2.98 3hcpA1 ALA 368 H -0.00 0.59 0.23 -0.55 8.40 8.67 3hcpA1 ALA 368 HA 0.02 0.06 0.45 -0.75 4.34 4.11 3hcpA1 ALA 368 HB3 0.06 -0.01 -0.03 -0.04 1.41 1.38 3hcpA1 GLU 369 H -0.04 0.14 0.16 -0.55 8.60 8.31 3hcpA1 GLU 369 HA -0.06 -0.03 0.43 -0.75 4.29 3.87 3hcpA1 GLU 369 HB2 -0.17 0.03 0.14 -0.04 2.09 2.06 3hcpA1 GLU 369 HB3 -0.44 -0.01 0.10 -0.04 1.99 1.60 3hcpA1 GLU 369 HG2 -0.16 0.30 -0.07 -0.04 2.34 2.36 3hcpA1 GLU 369 HG3 -0.13 -0.09 0.06 -0.04 2.34 2.14 3hcpA1 SER 370 H -0.09 -0.00 0.11 -0.55 8.46 7.93 3hcpA1 SER 370 HA -0.01 0.20 0.46 -0.75 4.49 4.39 3hcpA1 SER 370 HB2 -0.24 -0.09 -0.05 -0.04 3.95 3.52 3hcpA1 SER 370 HB3 -0.17 -0.14 -0.28 -0.04 3.93 3.30 3hcpA1 LEU 371 H -0.26 0.10 -0.03 -0.55 8.37 7.63 3hcpA1 LEU 371 HA -0.31 0.11 0.18 -0.75 4.35 3.58 3hcpA1 LEU 371 HB2 -0.87 0.18 0.21 -0.04 1.64 1.12 3hcpA1 LEU 371 HB3 -0.76 -0.06 0.04 -0.04 1.64 0.82 3hcpA1 LEU 371 HG -0.51 0.01 0.08 -0.04 1.64 1.17 3hcpA1 LEU 371 HD13 -0.98 -0.01 0.01 -0.04 0.93 -0.10 3hcpA1 LEU 371 HD23 -0.67 0.01 -0.19 -0.04 0.89 -0.00 3hcpA1 ASN 372 H -0.46 0.29 0.10 -0.55 8.53 7.92 3hcpA1 ASN 372 HA -0.87 -0.06 0.36 -0.75 4.76 3.45 3hcpA1 ASN 372 HB2 -0.73 0.24 -0.35 -0.04 2.88 2.00 3hcpA1 ASN 372 HB3 -2.46 -0.01 0.11 -0.04 2.79 0.39 3hcpA1 ASN 372 HD21 -0.39 -0.09 0.00 -0.04 7.03 6.51 3hcpA1 ASN 372 HD22 -0.56 0.13 -0.04 -0.04 7.74 7.22 3hcpA1 GLY 373 H -0.49 0.12 0.15 -0.55 8.43 7.66 3hcpA1 GLY 373 HA2 0.20 0.13 0.52 -0.51 4.01 4.35 3hcpA1 GLY 373 HA3 0.26 -0.01 0.32 -0.51 4.01 4.08 3hcpA1 ASN 374 H -0.03 0.56 -0.04 -0.55 8.53 8.47 3hcpA1 ASN 374 HA 0.07 0.10 0.50 -0.75 4.76 4.67 3hcpA1 ASN 374 HB2 0.10 0.18 0.18 -0.04 2.88 3.30 3hcpA1 ASN 374 HB3 0.01 -0.09 0.12 -0.04 2.79 2.80 3hcpA1 ASN 374 HD21 0.05 0.02 0.01 -0.04 7.03 7.07 3hcpA1 ASN 374 HD22 0.05 0.11 0.03 -0.04 7.74 7.88 3hcpA1 PRO 375 HA 0.04 0.10 0.46 -0.51 4.44 4.53 3hcpA1 PRO 375 HB2 0.02 0.02 -0.02 -0.04 2.28 2.26 3hcpA1 PRO 375 HB3 0.03 0.07 0.12 -0.04 2.02 2.19 3hcpA1 PRO 375 HG2 0.03 0.04 0.10 -0.04 2.03 2.17 3hcpA1 PRO 375 HG3 0.04 0.10 0.13 -0.04 2.03 2.26 3hcpA1 PRO 375 HD2 0.05 0.04 0.24 -0.04 3.68 3.98 3hcpA1 PRO 375 HD3 0.06 0.23 0.29 -0.04 3.65 4.19 3hcpA1 LEU 376 H 0.04 0.18 -0.17 -0.55 8.37 7.88 3hcpA1 LEU 376 HA 0.00 0.10 0.49 -0.75 4.35 4.19 3hcpA1 LEU 376 HB2 0.02 0.05 0.07 -0.04 1.64 1.74 3hcpA1 LEU 376 HB3 0.02 0.02 -0.02 -0.04 1.64 1.61 3hcpA1 LEU 376 HG 0.00 -0.04 -0.05 -0.04 1.64 1.51 3hcpA1 LEU 376 HD13 0.01 0.00 0.02 -0.04 0.93 0.93 3hcpA1 LEU 376 HD23 0.01 0.02 -0.07 -0.04 0.89 0.80 3hcpA1 PHE 377 H 0.12 0.30 -0.46 -0.55 8.34 7.75 3hcpA1 PHE 377 HA -0.08 0.04 0.44 -0.75 4.62 4.27 3hcpA1 PHE 377 HB2 -0.13 -0.03 0.02 -0.04 3.15 2.96 3hcpA1 PHE 377 HB3 -0.07 0.27 0.01 -0.04 3.06 3.22 3hcpA1 PHE 377 HD2 -0.05 0.07 -0.08 -0.04 7.28 7.18 3hcpA1 PHE 377 HE2 0.19 -0.01 -0.06 -0.04 7.38 7.46 3hcpA1 PHE 377 HZ 0.27 0.01 -0.05 -0.04 7.32 7.51 3hcpA1 SER 378 H 0.01 0.36 -0.11 -0.55 8.46 8.18 3hcpA1 SER 378 HA -0.27 0.05 0.49 -0.75 4.49 4.01 3hcpA1 SER 378 HB2 -0.03 0.13 0.11 -0.04 3.95 4.12 3hcpA1 SER 378 HB3 -0.07 0.00 -0.22 -0.04 3.93 3.60 3hcpA1 LYS 379 H -0.08 0.44 -0.34 -0.55 8.42 7.89 3hcpA1 LYS 379 HA -0.09 0.06 0.52 -0.75 4.32 4.06 3hcpA1 LYS 379 HB2 -0.04 0.08 0.09 -0.04 1.87 1.96 3hcpA1 LYS 379 HB3 -0.04 0.12 0.11 -0.04 1.79 1.94 3hcpA1 LYS 379 HG2 -0.02 -0.09 -0.11 -0.04 1.46 1.20 3hcpA1 LYS 379 HG3 -0.03 0.02 0.03 -0.04 1.46 1.44 3hcpA1 LYS 379 HD2 -0.00 0.02 -0.01 -0.04 1.69 1.65 3hcpA1 LYS 379 HD3 0.00 -0.02 -0.03 -0.04 1.68 1.59 3hcpA1 LYS 379 HE2 0.03 -0.03 -0.03 -0.04 2.99 2.92 3hcpA1 LYS 379 HE3 0.00 0.03 -0.02 -0.04 2.99 2.97 3hcpA1 ALA 380 H -0.18 0.45 -0.23 -0.55 8.40 7.90 3hcpA1 ALA 380 HA -0.17 -0.04 0.44 -0.75 4.34 3.81 3hcpA1 ALA 380 HB3 -0.20 0.03 0.00 -0.04 1.41 1.20 3hcpA1 LEU 381 H -0.50 0.52 -0.20 -0.55 8.37 7.64 3hcpA1 LEU 381 HA -0.38 0.01 0.38 -0.75 4.35 3.61 3hcpA1 LEU 381 HB2 -0.31 0.15 0.14 -0.04 1.64 1.58 3hcpA1 LEU 381 HB3 -0.13 -0.02 -0.05 -0.04 1.64 1.39 3hcpA1 LEU 381 HG -1.16 0.16 0.01 -0.04 1.64 0.61 3hcpA1 LEU 381 HD13 -0.32 -0.00 -0.09 -0.04 0.93 0.48 3hcpA1 LEU 381 HD23 -0.74 -0.02 -0.07 -0.04 0.89 0.01 3hcpA1 ALA 382 H -0.19 0.59 -0.11 -0.55 8.40 8.14 3hcpA1 ALA 382 HA -0.14 0.05 0.49 -0.75 4.34 3.99 3hcpA1 ALA 382 HB3 -0.12 0.04 0.10 -0.04 1.41 1.38 3hcpA1 ASP 383 H -0.13 0.64 -0.13 -0.55 8.40 8.24 3hcpA1 ASP 383 HA 0.05 0.00 0.45 -0.75 4.63 4.38 3hcpA1 ASP 383 HB2 0.00 0.00 0.14 -0.04 2.71 2.82 3hcpA1 ASP 383 HB3 0.15 0.00 0.03 -0.04 2.70 2.84 3hcpA1 LEU 384 H -0.31 0.60 -0.22 -0.55 8.37 7.89 3hcpA1 LEU 384 HA -0.16 -0.01 0.47 -0.75 4.35 3.89 3hcpA1 LEU 384 HB2 -0.53 0.19 0.17 -0.04 1.64 1.43 3hcpA1 LEU 384 HB3 -0.67 -0.02 -0.06 -0.04 1.64 0.84 3hcpA1 LEU 384 HG -0.87 -0.06 0.05 -0.04 1.64 0.72 3hcpA1 LEU 384 HD13 -0.98 -0.00 -0.10 -0.04 0.93 -0.20 3hcpA1 LEU 384 HD23 -0.06 -0.02 0.04 -0.04 0.89 0.81 3hcpA1 VAL 385 H -0.29 0.47 -0.17 -0.55 8.24 7.70 3hcpA1 VAL 385 HA -0.31 0.01 0.37 -0.75 4.13 3.46 3hcpA1 VAL 385 HB -0.16 0.08 0.11 -0.04 2.12 2.11 3hcpA1 VAL 385 HG13 -0.06 -0.00 -0.17 -0.04 0.97 0.69 3hcpA1 VAL 385 HG23 -0.39 0.02 -0.04 -0.04 0.95 0.49 3hcpA1 HIS 386 H 0.00 0.67 -0.08 -0.55 8.41 8.45 3hcpA1 HIS 386 HA -0.05 0.05 0.39 -0.75 4.63 4.27 3hcpA1 HIS 386 HB2 -0.08 0.06 0.06 -0.04 3.26 3.27 3hcpA1 HIS 386 HB3 -0.05 -0.04 0.14 -0.04 3.20 3.21 3hcpA1 HIS 386 HD2 -0.01 -0.04 -0.05 -0.04 6.97 6.82 3hcpA1 HIS 386 HE1 -0.00 -0.02 0.01 -0.04 7.75 7.69 3hcpA1 SER 387 H -0.02 0.61 -0.04 -0.55 8.46 8.46 3hcpA1 SER 387 HA -0.16 0.02 0.46 -0.75 4.49 4.06 3hcpA1 SER 387 HB2 -0.00 0.07 0.12 -0.04 3.95 4.09 3hcpA1 SER 387 HB3 -0.01 -0.05 -0.02 -0.04 3.93 3.81 3hcpA1 HIS 388 H 0.01 0.50 -0.24 -0.55 8.41 8.14 3hcpA1 HIS 388 HA -0.06 -0.06 0.43 -0.75 4.63 4.19 3hcpA1 HIS 388 HB2 -0.16 -0.04 0.07 -0.04 3.26 3.10 3hcpA1 HIS 388 HB3 -0.15 0.15 0.13 -0.04 3.20 3.29 3hcpA1 HIS 388 HD2 -0.06 0.02 -0.23 -0.04 6.97 6.65 3hcpA1 HIS 388 HE1 0.02 0.02 -0.38 -0.04 7.75 7.36 3hcpA1 ILE 389 H 0.01 0.55 -0.14 -0.55 8.25 8.12 3hcpA1 ILE 389 HA -0.12 0.06 0.44 -0.75 4.18 3.81 3hcpA1 ILE 389 HB 0.04 0.10 0.16 -0.04 1.89 2.14 3hcpA1 ILE 389 HG12 0.05 -0.01 -0.06 -0.04 1.49 1.43 3hcpA1 ILE 389 HG13 0.09 0.02 -0.02 -0.04 1.21 1.26 3hcpA1 ILE 389 HG23 0.03 -0.01 -0.16 -0.04 0.93 0.74 3hcpA1 ILE 389 HD13 0.12 -0.03 -0.14 -0.04 0.88 0.79 3hcpA1 GLN 390 H -0.13 0.53 -0.06 -0.55 8.47 8.27 3hcpA1 GLN 390 HA -0.08 0.04 0.37 -0.75 4.36 3.95 3hcpA1 GLN 390 HB2 -0.19 0.02 0.13 -0.04 2.15 2.07 3hcpA1 GLN 390 HB3 -0.12 -0.05 0.03 -0.04 2.02 1.84 3hcpA1 GLN 390 HG2 -0.13 -0.02 0.01 -0.04 2.40 2.22 3hcpA1 GLN 390 HG3 -0.45 0.18 0.03 -0.04 2.39 2.11 3hcpA1 GLN 390 HE21 -0.20 -0.05 -0.03 -0.04 6.97 6.65 3hcpA1 GLN 390 HE22 -0.31 0.00 -0.04 -0.04 7.69 7.31 3hcpA1 SER 391 H -0.10 0.46 -0.26 -0.55 8.46 8.01 3hcpA1 SER 391 HA -0.06 0.04 0.49 -0.75 4.49 4.21 3hcpA1 SER 391 HB2 -0.04 -0.10 0.11 -0.04 3.95 3.89 3hcpA1 SER 391 HB3 -0.05 0.09 0.13 -0.04 3.93 4.06 3hcpA1 ASN 392 H -0.12 0.36 -0.47 -0.55 8.53 7.76 3hcpA1 ASN 392 HA -0.12 0.09 0.28 -0.75 4.76 4.25 3hcpA1 ASN 392 HB2 -0.05 0.11 -0.12 -0.04 2.88 2.79 3hcpA1 ASN 392 HB3 -0.05 -0.06 0.24 -0.04 2.79 2.88 3hcpA1 ASN 392 HD21 -0.04 -0.04 0.03 -0.04 7.03 6.94 3hcpA1 ASN 392 HD22 -0.05 -0.02 0.07 -0.04 7.74 7.70 3hcpA1 GLU 393 H -0.16 0.05 -0.35 -0.55 8.60 7.60 3hcpA1 GLU 393 HA -0.03 0.06 0.45 -0.75 4.29 4.02 3hcpA1 GLU 393 HB2 0.03 -0.01 0.07 -0.04 2.09 2.14 3hcpA1 GLU 393 HB3 -0.02 0.01 0.04 -0.04 1.99 1.98 3hcpA1 GLU 393 HG2 -0.23 0.16 0.08 -0.04 2.34 2.30 3hcpA1 GLU 393 HG3 0.15 -0.01 -0.27 -0.04 2.34 2.17 3hcpA1 LEU 394 H 0.04 0.10 0.23 -0.55 8.37 8.19 3hcpA1 LEU 394 HA 0.13 0.21 0.95 -0.75 4.35 4.88 3hcpA1 LEU 394 HB2 0.09 -0.08 0.08 -0.04 1.64 1.69 3hcpA1 LEU 394 HB3 0.17 0.10 0.05 -0.04 1.64 1.93 3hcpA1 LEU 394 HG 0.03 0.01 -0.01 -0.04 1.64 1.62 3hcpA1 LEU 394 HD13 0.04 0.03 0.01 -0.04 0.93 0.97 3hcpA1 LEU 394 HD23 0.07 0.02 0.01 -0.04 0.89 0.94 3hcpA1 CYS 395 H 0.09 0.27 0.17 -0.55 8.50 8.48 3hcpA1 CYS 395 HA 0.07 0.27 0.48 -0.75 4.58 4.64 3hcpA1 CYS 395 HB2 0.01 -0.18 0.14 -0.04 2.97 2.89 3hcpA1 CYS 395 HB3 0.06 0.17 -0.01 -0.04 2.97 3.15 3hcpA1 SER 396 H 0.03 0.01 0.15 -0.55 8.46 8.10 3hcpA1 SER 396 HA 0.05 0.19 0.61 -0.75 4.49 4.59 3hcpA1 SER 396 HB2 0.04 -0.01 0.15 -0.04 3.95 4.09 3hcpA1 SER 396 HB3 0.06 0.05 0.15 -0.04 3.93 4.15 3hcpA1 LYS 397 H 0.02 0.18 0.19 -0.55 8.42 8.25 3hcpA1 LYS 397 HA 0.01 0.18 0.50 -0.75 4.32 4.26 3hcpA1 LYS 397 HB2 0.01 0.07 0.15 -0.04 1.87 2.07 3hcpA1 LYS 397 HB3 0.01 -0.06 0.13 -0.04 1.79 1.83 3hcpA1 LYS 397 HG2 0.01 0.02 -0.01 -0.04 1.46 1.44 3hcpA1 LYS 397 HG3 0.00 -0.00 -0.14 -0.04 1.46 1.28 3hcpA1 LYS 397 HD2 0.00 0.03 0.01 -0.04 1.69 1.69 3hcpA1 LYS 397 HD3 0.01 0.00 0.09 -0.04 1.68 1.74 3hcpA1 LYS 397 HE2 0.01 -0.01 0.05 -0.04 2.99 2.99 3hcpA1 LYS 397 HE3 0.01 -0.00 0.03 -0.04 2.99 2.98 3hcpA1 GLN 398 H -0.01 0.02 -0.15 -0.55 8.47 7.79 3hcpA1 GLN 398 HA -0.04 0.14 0.31 -0.75 4.36 4.01 3hcpA1 GLN 398 HB2 -0.06 -0.10 0.02 -0.04 2.15 1.97 3hcpA1 GLN 398 HB3 -0.12 0.05 -0.06 -0.04 2.02 1.86 3hcpA1 GLN 398 HG2 -0.01 -0.04 0.04 -0.04 2.40 2.35 3hcpA1 GLN 398 HG3 -0.01 -0.01 0.02 -0.04 2.39 2.34 3hcpA1 GLN 398 HE21 -0.01 0.06 0.01 -0.04 6.97 6.98 3hcpA1 GLN 398 HE22 -0.02 -0.05 0.02 -0.04 7.69 7.60 3hcpA1 LEU 399 H -0.06 0.11 -0.41 -0.55 8.37 7.46 3hcpA1 LEU 399 HA -0.19 0.04 0.37 -0.75 4.35 3.82 3hcpA1 LEU 399 HB2 -0.07 -0.18 0.06 -0.04 1.64 1.40 3hcpA1 LEU 399 HB3 -0.00 0.18 -0.03 -0.04 1.64 1.75 3hcpA1 LEU 399 HG 0.03 0.05 0.01 -0.04 1.64 1.69 3hcpA1 LEU 399 HD13 -0.01 -0.02 -0.02 -0.04 0.93 0.84 3hcpA1 LEU 399 HD23 0.04 0.01 -0.03 -0.04 0.89 0.87 3hcpA1 THR 400 H -0.02 0.45 -0.46 -0.55 8.28 7.70 3hcpA1 THR 400 HA 0.01 0.04 0.33 -0.75 4.39 4.02 3hcpA1 THR 400 HB 0.01 -0.04 0.12 -0.04 4.32 4.37 3hcpA1 THR 400 HG23 0.02 0.01 -0.01 -0.04 1.22 1.20 3hcpA1 LEU 401 H -0.04 0.38 -0.56 -0.55 8.37 7.61 3hcpA1 LEU 401 HA -0.01 0.11 0.86 -0.75 4.35 4.56 3hcpA1 LEU 401 HB2 -0.01 -0.03 -0.02 -0.04 1.64 1.53 3hcpA1 LEU 401 HB3 -0.03 -0.00 0.12 -0.04 1.64 1.69 3hcpA1 LEU 401 HG -0.02 0.09 -0.27 -0.04 1.64 1.39 3hcpA1 LEU 401 HD13 -0.01 -0.03 0.01 -0.04 0.93 0.86 3hcpA1 LEU 401 HD23 -0.01 -0.04 -0.02 -0.04 0.89 0.78 3hcpA1 SER 402 H -0.01 0.13 -0.01 -0.55 8.46 8.02 3hcpA1 SER 402 HA -0.01 0.02 0.54 -0.75 4.49 4.28 3hcpA1 SER 402 HB2 -0.00 0.06 0.04 -0.04 3.95 4.00 3hcpA1 SER 402 HB3 0.00 -0.06 0.07 -0.04 3.93 3.90 3hcpA1 CYS 403 H 0.01 -0.04 0.12 -0.55 8.50 8.04 3hcpA1 CYS 403 HA -0.00 0.20 0.43 -0.75 4.58 4.45 3hcpA1 CYS 403 HB2 0.00 -0.16 0.05 -0.04 2.97 2.82 3hcpA1 CYS 403 HB3 -0.00 0.31 -0.10 -0.04 2.97 3.14 3hcpA1 PRO 404 HA -0.01 0.08 0.47 -0.51 4.44 4.47 3hcpA1 PRO 404 HB2 -0.01 0.04 0.04 -0.04 2.28 2.32 3hcpA1 PRO 404 HB3 -0.01 -0.00 0.11 -0.04 2.02 2.08 3hcpA1 PRO 404 HG2 -0.01 0.00 0.09 -0.04 2.03 2.08 3hcpA1 PRO 404 HG3 -0.01 0.05 0.12 -0.04 2.03 2.14 3hcpA1 PRO 404 HD2 -0.01 0.11 0.36 -0.04 3.68 4.09 3hcpA1 PRO 404 HD3 -0.01 0.15 0.26 -0.04 3.65 4.02 3hcpA1 LEU 405 H -0.01 0.40 -0.21 -0.55 8.37 8.00 3hcpA1 LEU 405 HA -0.01 0.23 0.84 -0.75 4.35 4.65 3hcpA1 LEU 405 HB2 -0.02 -0.01 0.18 -0.04 1.64 1.75 3hcpA1 LEU 405 HB3 -0.02 -0.06 0.17 -0.04 1.64 1.69 3hcpA1 LEU 405 HG -0.01 -0.07 -0.35 -0.04 1.64 1.17 3hcpA1 LEU 405 HD13 -0.02 0.02 0.03 -0.04 0.93 0.92 3hcpA1 LEU 405 HD23 -0.01 0.02 -0.01 -0.04 0.89 0.85 3hcpA1 CYS 406 H -0.01 0.47 -0.28 -0.55 8.50 8.13 3hcpA1 CYS 406 HA -0.01 -0.08 0.48 -0.75 4.58 4.22 3hcpA1 CYS 406 HB2 0.00 -0.11 0.15 -0.04 2.97 2.97 3hcpA1 CYS 406 HB3 -0.00 0.18 0.08 -0.04 2.97 3.18 3hcpA1 VAL 407 H -0.01 0.07 0.18 -0.55 8.24 7.93 3hcpA1 VAL 407 HA -0.01 0.25 0.76 -0.75 4.13 4.38 3hcpA1 VAL 407 HB -0.01 -0.03 0.19 -0.04 2.12 2.24 3hcpA1 VAL 407 HG13 -0.01 0.08 -0.10 -0.04 0.97 0.89 3hcpA1 VAL 407 HG23 -0.02 -0.01 -0.00 -0.04 0.95 0.88 3hcpA1 ASN 408 H -0.01 0.06 -0.05 -0.55 8.53 7.99 3hcpA1 ASN 408 HA -0.00 0.28 0.89 -0.75 4.76 5.18 3hcpA1 ASN 408 HB2 -0.01 0.09 0.04 -0.04 2.88 2.96 3hcpA1 ASN 408 HB3 -0.00 -0.07 0.19 -0.04 2.79 2.86 3hcpA1 ASN 408 HD21 0.01 -0.02 -0.05 -0.04 7.03 6.93 3hcpA1 ASN 408 HD22 -0.00 0.07 0.02 -0.04 7.74 7.79 3hcpA1 PRO 409 HA -0.01 0.11 0.39 -0.51 4.44 4.42 3hcpA1 PRO 409 HB2 0.00 0.05 -0.05 -0.04 2.28 2.23 3hcpA1 PRO 409 HB3 -0.00 0.08 0.07 -0.04 2.02 2.13 3hcpA1 PRO 409 HG2 0.01 -0.01 0.06 -0.04 2.03 2.05 3hcpA1 PRO 409 HG3 0.00 0.10 0.06 -0.04 2.03 2.16 3hcpA1 PRO 409 HD2 0.00 0.07 0.27 -0.04 3.68 3.98 3hcpA1 PRO 409 HD3 -0.00 0.32 0.11 -0.04 3.65 4.04 3hcpA1 VAL 410 H -0.00 0.12 -0.25 -0.55 8.24 7.56 3hcpA1 VAL 410 HA -0.09 0.13 0.53 -0.75 4.13 3.96 3hcpA1 VAL 410 HB 0.02 -0.01 0.01 -0.04 2.12 2.09 3hcpA1 VAL 410 HG13 0.07 0.01 -0.03 -0.04 0.97 0.98 3hcpA1 VAL 410 HG23 0.08 0.02 -0.01 -0.04 0.95 1.00 3hcpA1 CYS 411 H -0.02 0.33 -0.23 -0.55 8.50 8.03 3hcpA1 CYS 411 HA 0.01 0.02 0.32 -0.75 4.58 4.18 3hcpA1 CYS 411 HB2 0.00 0.10 0.10 -0.04 2.97 3.12 3hcpA1 CYS 411 HB3 0.03 0.01 0.04 -0.04 2.97 3.01 3hcpA1 ARG 412 H -0.04 0.23 -0.19 -0.55 8.46 7.91 3hcpA1 ARG 412 HA -0.02 0.09 0.50 -0.75 4.34 4.16 3hcpA1 ARG 412 HB2 -0.02 -0.00 0.08 -0.04 1.90 1.92 3hcpA1 ARG 412 HB3 -0.04 0.09 0.06 -0.04 1.80 1.87 3hcpA1 ARG 412 HG2 -0.02 -0.02 -0.05 -0.04 1.67 1.54 3hcpA1 ARG 412 HG3 -0.01 0.02 0.04 -0.04 1.67 1.67 3hcpA1 ARG 412 HD2 -0.01 0.02 -0.02 -0.04 3.22 3.17 3hcpA1 ARG 412 HD3 -0.01 0.01 -0.01 -0.04 3.22 3.16 3hcpA1 GLU 413 H -0.17 0.24 -0.21 -0.55 8.60 7.91 3hcpA1 GLU 413 HA -0.19 0.08 0.40 -0.75 4.29 3.82 3hcpA1 GLU 413 HB2 -0.76 0.06 0.14 -0.04 2.09 1.48 3hcpA1 GLU 413 HB3 -1.20 0.01 -0.01 -0.04 1.99 0.75 3hcpA1 GLU 413 HG2 -0.14 0.11 0.08 -0.04 2.34 2.35 3hcpA1 GLU 413 HG3 -0.12 -0.03 -0.01 -0.04 2.34 2.15 3hcpA1 THR 414 H -0.25 0.53 -0.14 -0.55 8.28 7.87 3hcpA1 THR 414 HA -0.11 0.04 0.43 -0.75 4.39 3.99 3hcpA1 THR 414 HB 0.04 0.10 0.09 -0.04 4.32 4.51 3hcpA1 THR 414 HG23 0.25 -0.02 -0.28 -0.04 1.22 1.13 3hcpA1 LYS 415 H 0.03 0.51 -0.13 -0.55 8.42 8.27 3hcpA1 LYS 415 HA 0.20 -0.03 0.41 -0.75 4.32 4.15 3hcpA1 LYS 415 HB2 0.06 0.02 0.10 -0.04 1.87 2.00 3hcpA1 LYS 415 HB3 0.03 0.06 0.21 -0.04 1.79 2.05 3hcpA1 LYS 415 HG2 0.05 -0.01 -0.27 -0.04 1.46 1.20 3hcpA1 LYS 415 HG3 0.05 -0.02 -0.13 -0.04 1.46 1.32 3hcpA1 LYS 415 HD2 0.01 0.04 -0.08 -0.04 1.69 1.61 3hcpA1 LYS 415 HD3 0.01 -0.09 -0.01 -0.04 1.68 1.54 3hcpA1 LYS 415 HE2 0.02 0.02 0.02 -0.04 2.99 3.00 3hcpA1 LYS 415 HE3 0.01 -0.01 0.01 -0.04 2.99 2.95 3hcpA1 SER 416 H 0.01 0.54 -0.17 -0.55 8.46 8.30 3hcpA1 SER 416 HA 0.04 0.00 0.34 -0.75 4.49 4.12 3hcpA1 SER 416 HB2 -0.01 0.05 0.11 -0.04 3.95 4.06 3hcpA1 SER 416 HB3 0.01 -0.01 -0.01 -0.04 3.93 3.88 3hcpA1 PHE 417 H 0.11 0.48 -0.23 -0.55 8.34 8.15 3hcpA1 PHE 417 HA -0.08 0.02 0.40 -0.75 4.62 4.20 3hcpA1 PHE 417 HB2 -0.01 0.00 0.13 -0.04 3.15 3.24 3hcpA1 PHE 417 HB3 -0.24 0.16 0.18 -0.04 3.06 3.12 3hcpA1 PHE 417 HD2 -0.91 0.01 -0.10 -0.04 7.28 6.24 3hcpA1 PHE 417 HE2 -0.80 -0.01 -0.04 -0.04 7.38 6.49 3hcpA1 PHE 417 HZ -0.95 -0.01 -0.04 -0.04 7.32 6.28 3hcpA1 PHE 418 H 0.23 0.40 -0.24 -0.55 8.34 8.17 3hcpA1 PHE 418 HA 0.00 0.12 0.59 -0.75 4.62 4.58 3hcpA1 PHE 418 HB2 0.13 0.04 0.11 -0.04 3.15 3.39 3hcpA1 PHE 418 HB3 0.13 0.06 -0.05 -0.04 3.06 3.16 3hcpA1 PHE 418 HD2 0.22 0.12 -0.10 -0.04 7.28 7.48 3hcpA1 PHE 418 HE2 0.29 -0.03 -0.09 -0.04 7.38 7.52 3hcpA1 PHE 418 HZ 0.03 -0.07 -0.03 -0.04 7.32 7.21 3hcpA1 THR 419 H 0.15 0.54 0.05 -0.55 8.28 8.48 3hcpA1 THR 419 HA 0.09 -0.01 0.22 -0.75 4.39 3.94 3hcpA1 THR 419 HB 0.04 -0.03 0.06 -0.04 4.32 4.35 3hcpA1 THR 419 HG23 0.08 0.04 -0.03 -0.04 1.22 1.27 3hcpA1 SER 420 H -0.01 0.33 -0.59 -0.55 8.46 7.63 3hcpA1 SER 420 HA -0.01 0.07 0.50 -0.75 4.49 4.29 3hcpA1 SER 420 HB2 -0.06 0.17 0.04 -0.04 3.95 4.05 3hcpA1 SER 420 HB3 -0.04 -0.11 0.09 -0.04 3.93 3.83 3hcpA1 GLN 421 H -0.04 0.34 -0.33 -0.55 8.47 7.89 3hcpA1 GLN 421 HA -0.12 -0.08 0.40 -0.75 4.36 3.80 3hcpA1 GLN 421 HB2 0.02 0.05 0.14 -0.04 2.15 2.32 3hcpA1 GLN 421 HB3 -0.01 0.01 0.10 -0.04 2.02 2.08 3hcpA1 GLN 421 HG2 -0.24 0.19 0.26 -0.04 2.40 2.58 3hcpA1 GLN 421 HG3 0.03 0.08 0.13 -0.04 2.39 2.59 3hcpA1 GLN 421 HE21 -0.90 -0.09 0.07 -0.04 6.97 6.00 3hcpA1 GLN 421 HE22 -1.39 0.37 0.09 -0.04 7.69 6.72 3hcpA1 GLN 422 H -0.05 0.04 0.21 -0.55 8.47 8.12 3hcpA1 GLN 422 HA -0.02 0.02 0.54 -0.75 4.36 4.15 3hcpA1 GLN 422 HB2 -0.03 0.01 0.17 -0.04 2.15 2.25 3hcpA1 GLN 422 HB3 -0.03 -0.01 0.16 -0.04 2.02 2.10 3hcpA1 GLN 422 HG2 -0.02 0.01 -0.11 -0.04 2.40 2.24 3hcpA1 GLN 422 HG3 -0.02 -0.03 0.08 -0.04 2.39 2.39 3hcpA1 GLN 422 HE21 -0.01 -0.02 0.01 -0.04 6.97 6.90 3hcpA1 GLN 422 HE22 -0.01 -0.01 0.01 -0.04 7.69 7.64 3hcpA1 LEU 423 H -0.01 0.10 0.13 -0.55 8.37 8.05 3hcpA1 LEU 423 HA -0.01 -0.03 0.19 -0.75 4.35 3.74 3hcpA1 LEU 423 HB2 -0.01 0.44 0.39 -0.04 1.64 2.42 3hcpA1 LEU 423 HB3 -0.02 0.02 0.11 -0.04 1.64 1.72 3hcpA1 LEU 423 HG -0.02 -0.04 -0.01 -0.04 1.64 1.53 3hcpA1 LEU 423 HD13 -0.02 -0.01 -0.18 -0.04 0.93 0.68 3hcpA1 LEU 423 HD23 -0.02 0.01 -0.01 -0.04 0.89 0.83