============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 56 rings ring int. center anis. iso. HIS 2 0.900 -88.559 37.586 31.760 -99.200 -91.000 PHE 6 1.000 -83.061 30.997 24.168 -99.200 -91.000 PHE 10 1.000 -82.708 22.625 15.693 -99.200 -91.000 TYR 12 0.840 -86.042 17.254 7.793 -99.200 -91.000 PHE 25 1.000 -83.450 24.894 20.483 -99.200 -91.000 PHE 27 1.000 -81.339 16.029 27.786 -99.200 -91.000 TYR 46 0.840 -88.664 24.100 22.195 -99.200 -91.000 TYR 54 0.840 -75.734 20.646 1.343 -99.200 -91.000 PHE 57 1.000 -86.618 31.475 -1.530 -99.200 -91.000 PHE 75 1.000 -79.821 28.872 20.775 -99.200 -91.000 HIS 79 0.900 -74.240 20.839 7.043 -99.200 -91.000 HIS 97 0.900 -76.775 32.346 12.860 -99.200 -91.000 TRP 102 1.040 -64.138 26.652 10.971 -99.200 -91.000 TRP6 102 1.020 -63.935 26.312 8.642 -99.200 -91.000 HIS 104 0.900 -62.449 30.612 4.679 -99.200 -91.000 PHE 113 1.000 -76.522 42.421 16.473 -99.200 -91.000 TYR 114 0.840 -70.371 35.831 13.439 -99.200 -91.000 TYR 118 0.840 -65.955 22.823 15.275 -99.200 -91.000 PHE 121 1.000 -61.806 23.840 10.869 -99.200 -91.000 PHE 134 1.000 -45.540 13.557 23.823 -99.200 -91.000 PHE 135 1.000 -47.747 10.717 19.669 -99.200 -91.000 TRP 137 1.040 -45.190 10.727 14.539 -99.200 -91.000 TRP6 137 1.020 -47.394 10.725 13.706 -99.200 -91.000 TYR 144 0.840 -57.386 16.965 1.015 -99.200 -91.000 TYR 163 0.840 -42.138 23.756 14.099 -99.200 -91.000 PHE 192 1.000 -44.187 1.633 8.094 -99.200 -91.000 HIS 193 0.900 -44.652 7.668 12.349 -99.200 -91.000 PHE 196 1.000 -56.552 7.801 7.746 -99.200 -91.000 HIS 200 0.900 -68.659 10.742 14.036 -99.200 -91.000 TYR 219 0.840 -43.831 -3.361 11.818 -99.200 -91.000 TYR 220 0.840 -49.064 0.641 8.724 -99.200 -91.000 HIS 221 0.900 -49.116 7.116 17.033 -99.200 -91.000 TYR 222 0.840 -53.472 4.302 10.842 -99.200 -91.000 PHE 224 1.000 -58.301 8.103 13.026 -99.200 -91.000 PHE 230 1.000 -64.452 7.940 24.966 -99.200 -91.000 TYR 237 0.840 -60.591 -1.214 13.908 -99.200 -91.000 TYR 239 0.840 -58.658 -7.561 22.719 -99.200 -91.000 PHE 247 1.000 -55.457 16.776 19.964 -99.200 -91.000 TRP 264 1.040 -77.643 12.068 23.866 -99.200 -91.000 TRP6 264 1.020 -78.708 13.718 22.589 -99.200 -91.000 PHE 277 1.000 -69.517 9.515 22.496 -99.200 -91.000 TYR 286 0.840 -77.226 20.039 27.654 -99.200 -91.000 HIS 290 0.900 -77.498 24.098 29.783 -99.200 -91.000 PHE 299 1.000 -80.873 43.096 28.187 -99.200 -91.000 HIS 312 0.900 -84.486 49.091 5.175 -99.200 -91.000 TRP 315 1.040 -85.150 42.532 20.253 -99.200 -91.000 TRP6 315 1.020 -83.755 40.917 21.242 -99.200 -91.000 PHE 317 1.000 -85.251 45.145 25.294 -99.200 -91.000 PHE 321 1.000 -79.671 37.672 24.729 -99.200 -91.000 HIS 329 0.900 -65.755 33.937 30.877 -99.200 -91.000 TRP 330 1.040 -72.555 26.493 30.790 -99.200 -91.000 TRP6 330 1.020 -73.811 26.670 32.775 -99.200 -91.000 PHE 339 1.000 -69.006 32.249 23.182 -99.200 -91.000 PHE 349 1.000 -60.289 24.709 21.604 -99.200 -91.000 TRP 367 1.040 -52.843 21.781 22.618 -99.200 -91.000 TRP6 367 1.020 -54.310 23.480 21.878 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h6gA1 THR 2 HA 0.01 -0.11 0.15 -0.75 4.39 3.69 3h6gA1 THR 2 HB 0.03 -0.10 0.24 -0.04 4.32 4.44 3h6gA1 THR 2 HG23 0.00 -0.03 0.05 -0.04 1.22 1.20 3h6gA1 HIS 3 H 0.10 0.22 0.20 -0.55 8.41 8.39 3h6gA1 HIS 3 HA -0.04 -0.00 0.52 -0.75 4.63 4.35 3h6gA1 HIS 3 HB2 -0.04 -0.05 0.14 -0.04 3.26 3.27 3h6gA1 HIS 3 HB3 -0.05 0.11 0.14 -0.04 3.20 3.36 3h6gA1 HIS 3 HD2 -0.06 -0.06 0.09 -0.04 6.97 6.89 3h6gA1 HIS 3 HE1 -0.13 -0.02 -0.09 -0.04 7.75 7.47 3h6gA1 VAL 4 H -0.38 0.17 0.24 -0.55 8.24 7.72 3h6gA1 VAL 4 HA -0.26 0.18 0.98 -0.75 4.13 4.28 3h6gA1 VAL 4 HB -0.13 -0.06 0.07 -0.04 2.12 1.95 3h6gA1 VAL 4 HG13 -0.14 -0.00 -0.19 -0.04 0.97 0.59 3h6gA1 VAL 4 HG23 -0.10 0.06 -0.19 -0.04 0.95 0.68 3h6gA1 LEU 5 H -0.26 0.48 0.19 -0.55 8.37 8.23 3h6gA1 LEU 5 HA -0.21 0.11 0.89 -0.75 4.35 4.38 3h6gA1 LEU 5 HB2 -0.31 0.05 -0.25 -0.04 1.64 1.10 3h6gA1 LEU 5 HB3 -0.33 -0.03 -0.06 -0.04 1.64 1.17 3h6gA1 LEU 5 HG -0.15 -0.05 -0.18 -0.04 1.64 1.21 3h6gA1 LEU 5 HD13 -0.10 0.02 -0.08 -0.04 0.93 0.73 3h6gA1 LEU 5 HD23 -0.09 0.01 -0.14 -0.04 0.89 0.63 3h6gA1 ARG 6 H -0.11 0.16 0.15 -0.55 8.46 8.10 3h6gA1 ARG 6 HA -0.12 0.26 0.97 -0.75 4.34 4.70 3h6gA1 ARG 6 HB2 -0.06 -0.00 -0.08 -0.04 1.90 1.72 3h6gA1 ARG 6 HB3 -0.03 0.11 0.13 -0.04 1.80 1.97 3h6gA1 ARG 6 HG2 0.09 0.00 -0.30 -0.04 1.67 1.42 3h6gA1 ARG 6 HG3 0.02 -0.10 -0.29 -0.04 1.67 1.26 3h6gA1 ARG 6 HD2 -0.01 0.39 -0.10 -0.04 3.22 3.46 3h6gA1 ARG 6 HD3 0.02 -0.13 -0.18 -0.04 3.22 2.89 3h6gA1 PHE 7 H 0.12 0.67 0.42 -0.55 8.34 8.99 3h6gA1 PHE 7 HA 0.21 0.03 1.03 -0.75 4.62 5.14 3h6gA1 PHE 7 HB2 0.29 0.03 0.11 -0.04 3.15 3.54 3h6gA1 PHE 7 HB3 0.54 0.04 0.03 -0.04 3.06 3.63 3h6gA1 PHE 7 HD2 0.09 -0.04 -0.05 -0.04 7.28 7.23 3h6gA1 PHE 7 HE2 0.15 0.04 -0.13 -0.04 7.38 7.40 3h6gA1 PHE 7 HZ 0.20 0.02 -0.21 -0.04 7.32 7.29 3h6gA1 GLY 8 H 0.34 0.66 0.41 -0.55 8.43 9.29 3h6gA1 GLY 8 HA2 0.19 0.20 1.02 -0.51 4.01 4.91 3h6gA1 GLY 8 HA3 0.10 -0.01 0.36 -0.51 4.01 3.94 3h6gA1 GLY 9 H -0.01 0.52 0.32 -0.55 8.43 8.71 3h6gA1 GLY 9 HA2 -0.54 0.15 0.82 -0.51 4.01 3.93 3h6gA1 GLY 9 HA3 -0.57 0.01 0.31 -0.51 4.01 3.24 3h6gA1 ILE 10 H -0.77 0.49 -0.04 -0.55 8.25 7.38 3h6gA1 ILE 10 HA -0.33 0.30 0.93 -0.75 4.18 4.33 3h6gA1 ILE 10 HB -0.24 -0.06 0.00 -0.04 1.89 1.55 3h6gA1 ILE 10 HG12 -0.15 0.10 -0.19 -0.04 1.49 1.21 3h6gA1 ILE 10 HG13 -0.19 -0.06 -0.56 -0.04 1.21 0.36 3h6gA1 ILE 10 HG23 -0.15 -0.03 -0.23 -0.04 0.93 0.48 3h6gA1 ILE 10 HD13 -0.12 -0.00 -0.14 -0.04 0.88 0.57 3h6gA1 PHE 11 H -0.12 0.65 0.25 -0.55 8.34 8.57 3h6gA1 PHE 11 HA -0.06 0.06 0.92 -0.75 4.62 4.79 3h6gA1 PHE 11 HB2 -0.11 0.07 0.06 -0.04 3.15 3.14 3h6gA1 PHE 11 HB3 -0.04 -0.09 0.03 -0.04 3.06 2.92 3h6gA1 PHE 11 HD2 -0.07 0.00 -0.12 -0.04 7.28 7.04 3h6gA1 PHE 11 HE2 -0.24 0.07 -0.15 -0.04 7.38 7.02 3h6gA1 PHE 11 HZ -1.20 0.09 -0.06 -0.04 7.32 6.10 3h6gA1 GLU 12 H 0.09 0.05 0.23 -0.55 8.60 8.42 3h6gA1 GLU 12 HA -0.07 0.30 0.57 -0.75 4.29 4.33 3h6gA1 GLU 12 HB2 0.00 -0.15 0.16 -0.04 2.09 2.07 3h6gA1 GLU 12 HB3 -0.06 -0.01 0.02 -0.04 1.99 1.90 3h6gA1 GLU 12 HG2 -0.19 -0.03 -0.09 -0.04 2.34 1.99 3h6gA1 GLU 12 HG3 -0.09 0.22 -0.19 -0.04 2.34 2.25 3h6gA1 TYR 13 H 0.11 0.53 0.30 -0.55 8.29 8.68 3h6gA1 TYR 13 HA -0.03 -0.01 0.41 -0.75 4.56 4.18 3h6gA1 TYR 13 HB2 0.01 0.10 0.09 -0.04 3.06 3.21 3h6gA1 TYR 13 HB3 0.03 0.01 -0.23 -0.04 2.98 2.75 3h6gA1 TYR 13 HD2 0.00 -0.05 -0.20 -0.04 7.15 6.87 3h6gA1 TYR 13 HE2 0.01 -0.06 -0.23 -0.04 6.85 6.53 3h6gA1 VAL 14 H 0.01 0.22 0.15 -0.55 8.24 8.08 3h6gA1 VAL 14 HA -0.02 0.12 0.96 -0.75 4.13 4.44 3h6gA1 VAL 14 HB -0.03 0.04 0.09 -0.04 2.12 2.18 3h6gA1 VAL 14 HG13 -0.02 0.02 0.01 -0.04 0.97 0.94 3h6gA1 VAL 14 HG23 -0.02 -0.02 -0.04 -0.04 0.95 0.83 3h6gA1 GLU 15 H -0.09 0.07 0.13 -0.55 8.60 8.16 3h6gA1 GLU 15 HA -0.12 -0.00 0.36 -0.75 4.29 3.77 3h6gA1 GLU 15 HB2 -0.12 0.19 -0.08 -0.04 2.09 2.05 3h6gA1 GLU 15 HB3 -0.12 -0.06 0.27 -0.04 1.99 2.04 3h6gA1 GLU 15 HG2 -0.05 0.01 0.06 -0.04 2.34 2.32 3h6gA1 GLU 15 HG3 -0.05 -0.08 -0.02 -0.04 2.34 2.15 3h6gA1 SER 16 H -0.21 0.19 0.19 -0.55 8.46 8.09 3h6gA1 SER 16 HA -0.48 0.14 0.76 -0.75 4.49 4.15 3h6gA1 SER 16 HB2 -0.09 0.09 0.10 -0.04 3.95 4.00 3h6gA1 SER 16 HB3 -0.06 -0.12 0.17 -0.04 3.93 3.88 3h6gA1 GLY 17 H -0.04 0.02 0.09 -0.55 8.43 7.96 3h6gA1 GLY 17 HA2 0.04 0.31 0.35 -0.51 4.01 4.21 3h6gA1 GLY 17 HA3 0.01 -0.05 0.31 -0.51 4.01 3.77 3h6gA1 PRO 18 HA 0.01 0.02 0.29 -0.51 4.44 4.25 3h6gA1 PRO 18 HB2 -0.01 0.21 0.11 -0.04 2.28 2.54 3h6gA1 PRO 18 HB3 -0.02 0.02 0.15 -0.04 2.02 2.14 3h6gA1 PRO 18 HG2 -0.01 0.04 0.09 -0.04 2.03 2.10 3h6gA1 PRO 18 HG3 -0.02 0.03 0.09 -0.04 2.03 2.09 3h6gA1 PRO 18 HD2 -0.01 0.04 0.08 -0.04 3.68 3.76 3h6gA1 PRO 18 HD3 -0.02 0.15 0.51 -0.04 3.65 4.25 3h6gA1 MET 19 H 0.00 0.14 0.11 -0.55 8.47 8.18 3h6gA1 MET 19 HA 0.06 0.06 0.63 -0.75 4.52 4.52 3h6gA1 MET 19 HB2 -0.03 0.05 0.05 -0.04 2.15 2.18 3h6gA1 MET 19 HB3 -0.03 0.01 -0.05 -0.04 2.03 1.91 3h6gA1 MET 19 HG2 0.00 -0.02 -0.01 -0.04 2.63 2.56 3h6gA1 MET 19 HG3 0.01 -0.01 0.01 -0.04 2.56 2.53 3h6gA1 MET 19 HE3 -0.07 -0.01 -0.29 -0.04 2.10 1.69 3h6gA1 GLY 20 H 0.03 0.05 0.11 -0.55 8.43 8.07 3h6gA1 GLY 20 HA2 0.07 0.25 0.64 -0.51 4.01 4.46 3h6gA1 GLY 20 HA3 0.08 -0.02 0.33 -0.51 4.01 3.90 3h6gA1 ALA 21 H 0.13 0.17 0.13 -0.55 8.40 8.29 3h6gA1 ALA 21 HA 0.34 0.21 0.36 -0.75 4.34 4.49 3h6gA1 ALA 21 HB3 0.24 0.01 0.08 -0.04 1.41 1.69 3h6gA1 GLU 22 H 0.13 0.06 -0.15 -0.55 8.60 8.09 3h6gA1 GLU 22 HA 0.14 0.09 0.34 -0.75 4.29 4.11 3h6gA1 GLU 22 HB2 0.18 -0.08 0.11 -0.04 2.09 2.26 3h6gA1 GLU 22 HB3 0.31 0.12 -0.03 -0.04 1.99 2.35 3h6gA1 GLU 22 HG2 0.21 0.11 0.03 -0.04 2.34 2.65 3h6gA1 GLU 22 HG3 0.15 0.00 -0.11 -0.04 2.34 2.34 3h6gA1 GLU 23 H -0.23 0.04 -0.15 -0.55 8.60 7.71 3h6gA1 GLU 23 HA -1.71 0.10 0.31 -0.75 4.29 2.23 3h6gA1 GLU 23 HB2 -0.96 -0.05 0.05 -0.04 2.09 1.09 3h6gA1 GLU 23 HB3 -0.32 -0.01 0.02 -0.04 1.99 1.65 3h6gA1 GLU 23 HG2 -0.30 0.05 -0.10 -0.04 2.34 1.95 3h6gA1 GLU 23 HG3 -0.85 0.02 -0.01 -0.04 2.34 1.45 3h6gA1 LEU 24 H 0.01 0.33 -0.52 -0.55 8.37 7.64 3h6gA1 LEU 24 HA 0.04 0.08 0.46 -0.75 4.35 4.17 3h6gA1 LEU 24 HB2 0.16 0.06 0.09 -0.04 1.64 1.91 3h6gA1 LEU 24 HB3 0.08 0.01 -0.09 -0.04 1.64 1.61 3h6gA1 LEU 24 HG -0.05 -0.09 -0.12 -0.04 1.64 1.35 3h6gA1 LEU 24 HD13 -0.25 0.01 -0.14 -0.04 0.93 0.52 3h6gA1 LEU 24 HD23 -0.09 0.01 -0.00 -0.04 0.89 0.76 3h6gA1 ALA 25 H 0.32 0.58 0.05 -0.55 8.40 8.80 3h6gA1 ALA 25 HA 0.59 0.05 0.39 -0.75 4.34 4.63 3h6gA1 ALA 25 HB3 0.10 -0.03 0.12 -0.04 1.41 1.56 3h6gA1 PHE 26 H 0.21 0.44 -0.34 -0.55 8.34 8.09 3h6gA1 PHE 26 HA -0.05 0.05 0.30 -0.75 4.62 4.17 3h6gA1 PHE 26 HB2 0.10 -0.02 0.02 -0.04 3.15 3.21 3h6gA1 PHE 26 HB3 -0.20 0.11 0.10 -0.04 3.06 3.03 3h6gA1 PHE 26 HD2 -0.32 0.00 -0.09 -0.04 7.28 6.82 3h6gA1 PHE 26 HE2 -0.73 0.01 -0.16 -0.04 7.38 6.46 3h6gA1 PHE 26 HZ 0.09 0.05 -0.32 -0.04 7.32 7.09 3h6gA1 ARG 27 H 0.06 0.43 -0.15 -0.55 8.46 8.25 3h6gA1 ARG 27 HA -0.43 0.04 0.32 -0.75 4.34 3.53 3h6gA1 ARG 27 HB2 0.06 0.10 0.18 -0.04 1.90 2.19 3h6gA1 ARG 27 HB3 0.06 -0.00 -0.03 -0.04 1.80 1.80 3h6gA1 ARG 27 HG2 -0.21 -0.01 -0.01 -0.04 1.67 1.41 3h6gA1 ARG 27 HG3 -0.04 0.05 0.07 -0.04 1.67 1.70 3h6gA1 ARG 27 HD2 0.01 -0.02 -0.04 -0.04 3.22 3.14 3h6gA1 ARG 27 HD3 0.09 0.01 -0.02 -0.04 3.22 3.27 3h6gA1 PHE 28 H 0.30 0.56 -0.20 -0.55 8.34 8.45 3h6gA1 PHE 28 HA 0.11 0.03 0.35 -0.75 4.62 4.36 3h6gA1 PHE 28 HB2 0.26 0.07 0.08 -0.04 3.15 3.52 3h6gA1 PHE 28 HB3 0.37 0.01 0.11 -0.04 3.06 3.50 3h6gA1 PHE 28 HD2 0.25 -0.03 -0.01 -0.04 7.28 7.44 3h6gA1 PHE 28 HE2 0.11 0.02 -0.06 -0.04 7.38 7.41 3h6gA1 PHE 28 HZ 0.16 -0.01 -0.08 -0.04 7.32 7.34 3h6gA1 ALA 29 H 0.07 0.51 -0.29 -0.55 8.40 8.14 3h6gA1 ALA 29 HA -0.39 -0.01 0.43 -0.75 4.34 3.61 3h6gA1 ALA 29 HB3 -0.38 0.01 0.14 -0.04 1.41 1.13 3h6gA1 VAL 30 H -0.32 0.47 -0.09 -0.55 8.24 7.75 3h6gA1 VAL 30 HA -0.22 0.03 0.41 -0.75 4.13 3.59 3h6gA1 VAL 30 HB -0.22 0.08 0.11 -0.04 2.12 2.05 3h6gA1 VAL 30 HG13 0.08 -0.01 -0.24 -0.04 0.97 0.76 3h6gA1 VAL 30 HG23 -0.44 0.01 -0.04 -0.04 0.95 0.43 3h6gA1 ASN 31 H -0.04 0.53 -0.15 -0.55 8.53 8.33 3h6gA1 ASN 31 HA 0.00 0.07 0.42 -0.75 4.76 4.50 3h6gA1 ASN 31 HB2 0.09 0.04 0.11 -0.04 2.88 3.09 3h6gA1 ASN 31 HB3 0.07 -0.03 -0.01 -0.04 2.79 2.78 3h6gA1 ASN 31 HD21 0.11 -0.05 -0.03 -0.04 7.03 7.02 3h6gA1 ASN 31 HD22 0.13 -0.02 -0.03 -0.04 7.74 7.78 3h6gA1 THR 32 H -0.14 0.46 -0.18 -0.55 8.28 7.87 3h6gA1 THR 32 HA -0.04 0.01 0.44 -0.75 4.39 4.04 3h6gA1 THR 32 HB -0.17 0.13 0.22 -0.04 4.32 4.47 3h6gA1 THR 32 HG23 0.08 -0.03 -0.14 -0.04 1.22 1.08 3h6gA1 ILE 33 H -0.19 0.60 -0.04 -0.55 8.25 8.07 3h6gA1 ILE 33 HA -0.08 -0.08 0.31 -0.75 4.18 3.58 3h6gA1 ILE 33 HB -0.23 0.06 0.12 -0.04 1.89 1.80 3h6gA1 ILE 33 HG12 -0.65 -0.10 -0.00 -0.04 1.49 0.70 3h6gA1 ILE 33 HG13 -0.64 0.11 0.08 -0.04 1.21 0.71 3h6gA1 ILE 33 HG23 -0.16 0.01 -0.15 -0.04 0.93 0.59 3h6gA1 ILE 33 HD13 -0.80 -0.05 -0.21 -0.04 0.88 -0.22 3h6gA1 ASN 34 H -0.08 0.36 -0.24 -0.55 8.53 8.02 3h6gA1 ASN 34 HA -0.05 0.12 0.48 -0.75 4.76 4.55 3h6gA1 ASN 34 HB2 -0.04 0.08 0.20 -0.04 2.88 3.08 3h6gA1 ASN 34 HB3 -0.03 -0.04 0.06 -0.04 2.79 2.73 3h6gA1 ASN 34 HD21 -0.07 0.32 0.12 -0.04 7.03 7.36 3h6gA1 ASN 34 HD22 -0.03 -0.10 0.02 -0.04 7.74 7.59 3h6gA1 ARG 35 H -0.02 0.24 -0.28 -0.55 8.46 7.86 3h6gA1 ARG 35 HA 0.00 0.04 0.40 -0.75 4.34 4.03 3h6gA1 ARG 35 HB2 0.02 0.03 0.08 -0.04 1.90 1.99 3h6gA1 ARG 35 HB3 0.02 -0.12 0.09 -0.04 1.80 1.74 3h6gA1 ARG 35 HG2 0.01 -0.03 0.03 -0.04 1.67 1.63 3h6gA1 ARG 35 HG3 0.01 0.26 0.15 -0.04 1.67 2.05 3h6gA1 ARG 35 HD2 0.03 -0.07 0.01 -0.04 3.22 3.16 3h6gA1 ARG 35 HD3 0.02 -0.03 0.01 -0.04 3.22 3.18 3h6gA1 ASN 36 H 0.01 0.34 -0.11 -0.55 8.53 8.22 3h6gA1 ASN 36 HA 0.04 -0.13 0.61 -0.75 4.76 4.53 3h6gA1 ASN 36 HB2 0.06 0.03 0.16 -0.04 2.88 3.09 3h6gA1 ASN 36 HB3 0.04 0.24 0.14 -0.04 2.79 3.17 3h6gA1 ASN 36 HD21 0.11 -0.06 0.05 -0.04 7.03 7.09 3h6gA1 ASN 36 HD22 0.09 0.07 0.05 -0.04 7.74 7.91 3h6gA1 ARG 37 H 0.04 -0.02 0.21 -0.55 8.46 8.14 3h6gA1 ARG 37 HA 0.02 0.41 0.77 -0.75 4.34 4.79 3h6gA1 ARG 37 HB2 0.03 -0.11 0.07 -0.04 1.90 1.85 3h6gA1 ARG 37 HB3 0.02 -0.02 0.14 -0.04 1.80 1.90 3h6gA1 ARG 37 HG2 0.02 0.25 -0.16 -0.04 1.67 1.73 3h6gA1 ARG 37 HG3 0.02 -0.02 0.05 -0.04 1.67 1.68 3h6gA1 ARG 37 HD2 0.02 -0.10 0.03 -0.04 3.22 3.13 3h6gA1 ARG 37 HD3 0.01 0.03 0.03 -0.04 3.22 3.25 3h6gA1 THR 38 H 0.05 -0.06 -0.01 -0.55 8.28 7.71 3h6gA1 THR 38 HA 0.05 0.18 0.78 -0.75 4.39 4.63 3h6gA1 THR 38 HB 0.09 -0.06 0.10 -0.04 4.32 4.40 3h6gA1 THR 38 HG23 0.10 -0.00 -0.13 -0.04 1.22 1.14 3h6gA1 LEU 39 H 0.06 0.03 -0.18 -0.55 8.37 7.74 3h6gA1 LEU 39 HA 0.06 0.09 0.73 -0.75 4.35 4.47 3h6gA1 LEU 39 HB2 0.14 -0.10 -0.03 -0.04 1.64 1.61 3h6gA1 LEU 39 HB3 0.04 0.08 0.06 -0.04 1.64 1.78 3h6gA1 LEU 39 HG -0.07 0.10 -0.26 -0.04 1.64 1.37 3h6gA1 LEU 39 HD13 -0.00 -0.03 -0.07 -0.04 0.93 0.79 3h6gA1 LEU 39 HD23 -0.16 -0.02 -0.05 -0.04 0.89 0.63 3h6gA1 LEU 40 H 0.02 0.07 0.06 -0.55 8.37 7.97 3h6gA1 LEU 40 HA 0.02 -0.06 0.29 -0.75 4.35 3.85 3h6gA1 LEU 40 HB2 -0.04 0.25 0.06 -0.04 1.64 1.86 3h6gA1 LEU 40 HB3 -0.02 0.01 0.07 -0.04 1.64 1.66 3h6gA1 LEU 40 HG -0.03 -0.09 -0.20 -0.04 1.64 1.28 3h6gA1 LEU 40 HD13 -0.04 -0.02 -0.12 -0.04 0.93 0.70 3h6gA1 LEU 40 HD23 0.03 0.01 -0.06 -0.04 0.89 0.83 3h6gA1 PRO 41 HA 0.01 0.22 0.37 -0.51 4.44 4.53 3h6gA1 PRO 41 HB2 0.01 -0.08 0.04 -0.04 2.28 2.22 3h6gA1 PRO 41 HB3 0.02 0.12 0.05 -0.04 2.02 2.17 3h6gA1 PRO 41 HG2 0.02 -0.03 0.04 -0.04 2.03 2.02 3h6gA1 PRO 41 HG3 0.03 0.18 -0.18 -0.04 2.03 2.02 3h6gA1 PRO 41 HD2 0.02 0.02 0.12 -0.04 3.68 3.80 3h6gA1 PRO 41 HD3 0.03 0.02 -0.06 -0.04 3.65 3.60 3h6gA1 ASN 42 H 0.02 0.07 -0.02 -0.55 8.53 8.05 3h6gA1 ASN 42 HA 0.01 0.19 0.55 -0.75 4.76 4.76 3h6gA1 ASN 42 HB2 0.01 -0.00 0.04 -0.04 2.88 2.89 3h6gA1 ASN 42 HB3 0.01 -0.03 0.16 -0.04 2.79 2.89 3h6gA1 ASN 42 HD21 0.00 -0.01 0.00 -0.04 7.03 6.99 3h6gA1 ASN 42 HD22 0.00 0.02 0.04 -0.04 7.74 7.75 3h6gA1 THR 43 H 0.01 0.17 -0.69 -0.55 8.28 7.22 3h6gA1 THR 43 HA 0.04 0.28 0.85 -0.75 4.39 4.79 3h6gA1 THR 43 HB -0.00 -0.01 -0.12 -0.04 4.32 4.15 3h6gA1 THR 43 HG23 0.03 -0.01 -0.23 -0.04 1.22 0.97 3h6gA1 THR 44 H -0.11 0.47 0.19 -0.55 8.28 8.27 3h6gA1 THR 44 HA -0.08 0.22 1.00 -0.75 4.39 4.78 3h6gA1 THR 44 HB -0.08 0.08 0.11 -0.04 4.32 4.39 3h6gA1 THR 44 HG23 -0.08 -0.04 -0.18 -0.04 1.22 0.89 3h6gA1 LEU 45 H -0.13 0.19 0.14 -0.55 8.37 8.03 3h6gA1 LEU 45 HA -0.26 0.17 0.62 -0.75 4.35 4.12 3h6gA1 LEU 45 HB2 -0.15 0.01 0.12 -0.04 1.64 1.58 3h6gA1 LEU 45 HB3 -0.28 -0.02 0.03 -0.04 1.64 1.33 3h6gA1 LEU 45 HG -0.18 0.07 -0.06 -0.04 1.64 1.44 3h6gA1 LEU 45 HD13 -0.10 -0.02 -0.04 -0.04 0.93 0.73 3h6gA1 LEU 45 HD23 -0.56 -0.01 -0.11 -0.04 0.89 0.16 3h6gA1 THR 46 H -0.21 0.56 0.48 -0.55 8.28 8.57 3h6gA1 THR 46 HA -0.18 0.14 0.80 -0.75 4.39 4.40 3h6gA1 THR 46 HB -0.14 0.09 -0.11 -0.04 4.32 4.12 3h6gA1 THR 46 HG23 -0.11 0.03 -0.23 -0.04 1.22 0.87 3h6gA1 TYR 47 H -0.39 0.24 0.20 -0.55 8.29 7.79 3h6gA1 TYR 47 HA 0.11 0.21 0.72 -0.75 4.56 4.85 3h6gA1 TYR 47 HB2 0.40 0.04 -0.05 -0.04 3.06 3.41 3h6gA1 TYR 47 HB3 0.19 0.05 -0.12 -0.04 2.98 3.05 3h6gA1 TYR 47 HD2 0.06 0.00 -0.41 -0.04 7.15 6.76 3h6gA1 TYR 47 HE2 0.03 0.01 -0.08 -0.04 6.85 6.77 3h6gA1 ASP 48 H 0.27 0.49 0.31 -0.55 8.40 8.91 3h6gA1 ASP 48 HA 0.15 0.15 0.85 -0.75 4.63 5.03 3h6gA1 ASP 48 HB2 0.06 0.08 0.04 -0.04 2.71 2.85 3h6gA1 ASP 48 HB3 0.09 -0.06 0.12 -0.04 2.70 2.80 3h6gA1 THR 49 H 0.21 0.22 0.12 -0.55 8.28 8.28 3h6gA1 THR 49 HA 0.14 0.25 1.10 -0.75 4.39 5.12 3h6gA1 THR 49 HB 0.27 -0.05 -0.03 -0.04 4.32 4.46 3h6gA1 THR 49 HG23 0.36 0.01 -0.20 -0.04 1.22 1.35 3h6gA1 GLN 50 H 0.01 0.57 0.29 -0.55 8.47 8.80 3h6gA1 GLN 50 HA -0.00 0.16 0.89 -0.75 4.36 4.66 3h6gA1 GLN 50 HB2 -0.08 -0.02 0.09 -0.04 2.15 2.10 3h6gA1 GLN 50 HB3 -0.06 -0.00 0.01 -0.04 2.02 1.93 3h6gA1 GLN 50 HG2 -0.00 -0.04 -0.40 -0.04 2.40 1.91 3h6gA1 GLN 50 HG3 -0.04 0.03 -0.07 -0.04 2.39 2.27 3h6gA1 GLN 50 HE21 -0.01 0.01 -0.03 -0.04 6.97 6.90 3h6gA1 GLN 50 HE22 -0.00 0.00 -0.11 -0.04 7.69 7.54 3h6gA1 LYS 51 H -0.07 0.23 0.17 -0.55 8.42 8.20 3h6gA1 LYS 51 HA -0.18 0.23 1.00 -0.75 4.32 4.63 3h6gA1 LYS 51 HB2 -0.21 -0.00 0.06 -0.04 1.87 1.69 3h6gA1 LYS 51 HB3 -0.88 0.04 -0.02 -0.04 1.79 0.88 3h6gA1 LYS 51 HG2 -0.13 -0.02 -0.11 -0.04 1.46 1.16 3h6gA1 LYS 51 HG3 -0.03 -0.04 -0.28 -0.04 1.46 1.08 3h6gA1 LYS 51 HD2 0.04 0.03 -0.08 -0.04 1.69 1.63 3h6gA1 LYS 51 HD3 0.01 0.03 -0.11 -0.04 1.68 1.57 3h6gA1 LYS 51 HE2 0.18 0.03 -0.13 -0.04 2.99 3.03 3h6gA1 LYS 51 HE3 0.03 -0.07 -0.10 -0.04 2.99 2.81 3h6gA1 ILE 52 H -0.26 0.57 0.29 -0.55 8.25 8.29 3h6gA1 ILE 52 HA -0.09 0.20 0.83 -0.75 4.18 4.37 3h6gA1 ILE 52 HB -0.06 -0.06 0.06 -0.04 1.89 1.79 3h6gA1 ILE 52 HG12 -0.11 0.02 -0.28 -0.04 1.49 1.08 3h6gA1 ILE 52 HG13 -0.10 -0.07 -0.20 -0.04 1.21 0.80 3h6gA1 ILE 52 HG23 -0.09 0.01 -0.38 -0.04 0.93 0.43 3h6gA1 ILE 52 HD13 -0.06 -0.01 -0.10 -0.04 0.88 0.67 3h6gA1 ASN 53 H 0.01 0.10 0.15 -0.55 8.53 8.24 3h6gA1 ASN 53 HA 0.12 0.29 0.68 -0.75 4.76 5.09 3h6gA1 ASN 53 HB2 0.06 0.04 0.16 -0.04 2.88 3.10 3h6gA1 ASN 53 HB3 0.04 -0.11 0.01 -0.04 2.79 2.69 3h6gA1 ASN 53 HD21 0.06 0.02 0.06 -0.04 7.03 7.12 3h6gA1 ASN 53 HD22 0.06 -0.01 0.04 -0.04 7.74 7.79 3h6gA1 LEU 54 H -0.04 0.30 0.22 -0.55 8.37 8.30 3h6gA1 LEU 54 HA -0.30 -0.03 0.64 -0.75 4.35 3.90 3h6gA1 LEU 54 HB2 -0.35 0.02 0.04 -0.04 1.64 1.31 3h6gA1 LEU 54 HB3 -0.33 0.07 0.14 -0.04 1.64 1.47 3h6gA1 LEU 54 HG -3.19 0.03 -0.19 -0.04 1.64 -1.74 3h6gA1 LEU 54 HD13 -1.06 -0.06 0.05 -0.04 0.93 -0.17 3h6gA1 LEU 54 HD23 -0.51 0.01 -0.03 -0.04 0.89 0.33 3h6gA1 TYR 55 H -0.13 0.09 0.14 -0.55 8.29 7.84 3h6gA1 TYR 55 HA 0.02 -0.10 0.28 -0.75 4.56 4.00 3h6gA1 TYR 55 HB2 0.01 0.33 0.13 -0.04 3.06 3.49 3h6gA1 TYR 55 HB3 0.02 -0.01 0.16 -0.04 2.98 3.11 3h6gA1 TYR 55 HD2 0.03 0.02 -0.06 -0.04 7.15 7.10 3h6gA1 TYR 55 HE2 0.08 -0.00 -0.02 -0.04 6.85 6.86 3h6gA1 ASP 56 H 0.04 0.29 -0.47 -0.55 8.40 7.71 3h6gA1 ASP 56 HA 0.10 0.23 0.88 -0.75 4.63 5.10 3h6gA1 ASP 56 HB2 0.07 0.12 -0.06 -0.04 2.71 2.80 3h6gA1 ASP 56 HB3 0.03 -0.01 0.17 -0.04 2.70 2.85 3h6gA1 SER 57 H 0.09 0.35 -0.10 -0.55 8.46 8.25 3h6gA1 SER 57 HA 0.03 0.02 0.32 -0.75 4.49 4.11 3h6gA1 SER 57 HB2 0.03 0.11 0.01 -0.04 3.95 4.06 3h6gA1 SER 57 HB3 0.05 -0.07 -0.22 -0.04 3.93 3.65 3h6gA1 PHE 58 H 0.20 0.11 -0.13 -0.55 8.34 7.96 3h6gA1 PHE 58 HA -0.01 0.13 0.45 -0.75 4.62 4.44 3h6gA1 PHE 58 HB2 0.00 0.04 0.09 -0.04 3.15 3.24 3h6gA1 PHE 58 HB3 0.00 -0.06 0.03 -0.04 3.06 3.00 3h6gA1 PHE 58 HD2 -0.00 -0.02 0.02 -0.04 7.28 7.23 3h6gA1 PHE 58 HE2 -0.00 0.04 -0.02 -0.04 7.38 7.36 3h6gA1 PHE 58 HZ -0.00 0.05 -0.02 -0.04 7.32 7.31 3h6gA1 GLU 59 H 0.04 0.08 -0.24 -0.55 8.60 7.94 3h6gA1 GLU 59 HA -0.29 0.10 0.49 -0.75 4.29 3.84 3h6gA1 GLU 59 HB2 -0.03 -0.03 0.13 -0.04 2.09 2.11 3h6gA1 GLU 59 HB3 -0.05 0.03 0.09 -0.04 1.99 2.02 3h6gA1 GLU 59 HG2 -0.11 0.01 0.05 -0.04 2.34 2.25 3h6gA1 GLU 59 HG3 -0.10 0.04 0.07 -0.04 2.34 2.30 3h6gA1 ALA 60 H -0.03 0.41 -0.14 -0.55 8.40 8.09 3h6gA1 ALA 60 HA -0.08 0.02 0.32 -0.75 4.34 3.84 3h6gA1 ALA 60 HB3 -0.04 0.01 0.08 -0.04 1.41 1.42 3h6gA1 SER 61 H -0.04 0.52 -0.25 -0.55 8.46 8.14 3h6gA1 SER 61 HA -0.06 0.03 0.38 -0.75 4.49 4.08 3h6gA1 SER 61 HB2 0.02 0.12 0.19 -0.04 3.95 4.23 3h6gA1 SER 61 HB3 0.00 0.00 -0.01 -0.04 3.93 3.88 3h6gA1 LYS 62 H -0.20 0.47 -0.02 -0.55 8.42 8.12 3h6gA1 LYS 62 HA -0.12 0.01 0.37 -0.75 4.32 3.83 3h6gA1 LYS 62 HB2 -0.26 0.07 0.21 -0.04 1.87 1.85 3h6gA1 LYS 62 HB3 -0.17 -0.01 0.00 -0.04 1.79 1.58 3h6gA1 LYS 62 HG2 -0.23 -0.00 0.04 -0.04 1.46 1.23 3h6gA1 LYS 62 HG3 -0.53 0.05 0.09 -0.04 1.46 1.03 3h6gA1 LYS 62 HD2 -0.83 -0.06 -0.05 -0.04 1.69 0.71 3h6gA1 LYS 62 HD3 -0.30 0.01 0.01 -0.04 1.68 1.36 3h6gA1 LYS 62 HE2 -0.17 0.02 -0.01 -0.04 2.99 2.80 3h6gA1 LYS 62 HE3 -0.63 -0.02 -0.02 -0.04 2.99 2.28 3h6gA1 LYS 63 H -0.12 0.62 -0.11 -0.55 8.42 8.25 3h6gA1 LYS 63 HA -0.08 0.02 0.34 -0.75 4.32 3.85 3h6gA1 LYS 63 HB2 -0.10 0.03 0.02 -0.04 1.87 1.78 3h6gA1 LYS 63 HB3 -0.08 -0.03 -0.02 -0.04 1.79 1.62 3h6gA1 LYS 63 HG2 -0.10 0.10 0.02 -0.04 1.46 1.44 3h6gA1 LYS 63 HG3 -0.08 -0.02 -0.11 -0.04 1.46 1.20 3h6gA1 LYS 63 HD2 -0.05 -0.01 0.02 -0.04 1.69 1.60 3h6gA1 LYS 63 HD3 -0.07 -0.01 -0.03 -0.04 1.68 1.53 3h6gA1 LYS 63 HE2 -0.05 0.02 0.01 -0.04 2.99 2.93 3h6gA1 LYS 63 HE3 -0.08 -0.04 0.01 -0.04 2.99 2.84 3h6gA1 ALA 64 H -0.09 0.52 -0.27 -0.55 8.40 8.01 3h6gA1 ALA 64 HA -0.09 -0.01 0.39 -0.75 4.34 3.88 3h6gA1 ALA 64 HB3 -0.11 0.01 0.10 -0.04 1.41 1.37 3h6gA1 CYS 65 H -0.07 0.64 -0.02 -0.55 8.50 8.50 3h6gA1 CYS 65 HA -0.06 0.03 0.51 -0.75 4.58 4.31 3h6gA1 CYS 65 HB2 -0.06 0.12 0.17 -0.04 2.97 3.16 3h6gA1 CYS 65 HB3 -0.04 -0.08 0.02 -0.04 2.97 2.83 3h6gA1 ASP 66 H -0.06 0.62 -0.05 -0.55 8.40 8.37 3h6gA1 ASP 66 HA -0.04 0.01 0.45 -0.75 4.63 4.30 3h6gA1 ASP 66 HB2 -0.05 0.11 0.15 -0.04 2.71 2.88 3h6gA1 ASP 66 HB3 -0.04 -0.03 0.01 -0.04 2.70 2.60 3h6gA1 GLN 67 H -0.05 0.51 -0.21 -0.55 8.47 8.17 3h6gA1 GLN 67 HA -0.03 0.01 0.30 -0.75 4.36 3.89 3h6gA1 GLN 67 HB2 -0.05 0.11 0.08 -0.04 2.15 2.25 3h6gA1 GLN 67 HB3 -0.02 -0.05 -0.06 -0.04 2.02 1.85 3h6gA1 GLN 67 HG2 -0.01 -0.05 -0.05 -0.04 2.40 2.25 3h6gA1 GLN 67 HG3 -0.05 0.30 0.03 -0.04 2.39 2.64 3h6gA1 GLN 67 HE21 -0.07 -0.13 -0.31 -0.04 6.97 6.41 3h6gA1 GLN 67 HE22 -0.07 0.07 -0.12 -0.04 7.69 7.54 3h6gA1 LEU 68 H -0.07 0.49 -0.16 -0.55 8.37 8.09 3h6gA1 LEU 68 HA -0.12 -0.01 0.47 -0.75 4.35 3.94 3h6gA1 LEU 68 HB2 -0.07 0.05 0.10 -0.04 1.64 1.68 3h6gA1 LEU 68 HB3 -0.09 -0.02 0.02 -0.04 1.64 1.50 3h6gA1 LEU 68 HG -0.09 0.05 -0.01 -0.04 1.64 1.55 3h6gA1 LEU 68 HD13 -0.08 -0.03 -0.18 -0.04 0.93 0.59 3h6gA1 LEU 68 HD23 -0.14 -0.00 -0.04 -0.04 0.89 0.66 3h6gA1 SER 69 H -0.05 0.28 -0.45 -0.55 8.46 7.69 3h6gA1 SER 69 HA -0.05 0.15 0.62 -0.75 4.49 4.46 3h6gA1 SER 69 HB2 -0.04 -0.01 0.17 -0.04 3.95 4.02 3h6gA1 SER 69 HB3 -0.04 0.14 0.25 -0.04 3.93 4.24 3h6gA1 LEU 70 H -0.04 0.49 0.10 -0.55 8.37 8.38 3h6gA1 LEU 70 HA -0.03 -0.04 0.50 -0.75 4.35 4.03 3h6gA1 LEU 70 HB2 -0.03 0.08 0.08 -0.04 1.64 1.74 3h6gA1 LEU 70 HB3 -0.02 0.03 -0.09 -0.04 1.64 1.52 3h6gA1 LEU 70 HG -0.02 0.01 0.02 -0.04 1.64 1.60 3h6gA1 LEU 70 HD13 -0.00 -0.03 -0.04 -0.04 0.93 0.82 3h6gA1 LEU 70 HD23 -0.02 -0.01 0.03 -0.04 0.89 0.85 3h6gA1 GLY 71 H -0.07 0.21 -0.67 -0.55 8.43 7.35 3h6gA1 GLY 71 HA2 -0.15 0.22 0.33 -0.51 4.01 3.90 3h6gA1 GLY 71 HA3 -0.09 0.06 0.50 -0.51 4.01 3.97 3h6gA1 VAL 72 H -0.26 0.28 0.21 -0.55 8.24 7.92 3h6gA1 VAL 72 HA -0.05 0.26 0.75 -0.75 4.13 4.34 3h6gA1 VAL 72 HB 0.09 -0.09 0.01 -0.04 2.12 2.09 3h6gA1 VAL 72 HG13 0.03 0.01 -0.43 -0.04 0.97 0.54 3h6gA1 VAL 72 HG23 -0.09 -0.02 -0.27 -0.04 0.95 0.54 3h6gA1 ALA 73 H 0.13 0.64 0.35 -0.55 8.40 8.98 3h6gA1 ALA 73 HA -0.42 0.11 0.54 -0.75 4.34 3.81 3h6gA1 ALA 73 HB3 0.29 -0.00 0.00 -0.04 1.41 1.65 3h6gA1 ALA 74 H 0.22 0.15 0.07 -0.55 8.40 8.30 3h6gA1 ALA 74 HA 0.05 0.23 0.36 -0.75 4.34 4.23 3h6gA1 ALA 74 HB3 -0.14 0.03 -0.06 -0.04 1.41 1.19 3h6gA1 ILE 75 H -0.06 0.62 0.20 -0.55 8.25 8.47 3h6gA1 ILE 75 HA 0.05 0.15 0.95 -0.75 4.18 4.58 3h6gA1 ILE 75 HB -0.03 0.05 0.15 -0.04 1.89 2.02 3h6gA1 ILE 75 HG12 -0.03 -0.01 -0.11 -0.04 1.49 1.31 3h6gA1 ILE 75 HG13 -0.05 0.04 -0.26 -0.04 1.21 0.90 3h6gA1 ILE 75 HG23 -0.06 -0.05 -0.28 -0.04 0.93 0.50 3h6gA1 ILE 75 HD13 -0.10 0.01 -0.06 -0.04 0.88 0.70 3h6gA1 PHE 76 H 0.29 0.68 0.11 -0.55 8.34 8.87 3h6gA1 PHE 76 HA -0.09 0.17 0.82 -0.75 4.62 4.76 3h6gA1 PHE 76 HB2 -0.33 -0.02 0.29 -0.04 3.15 3.05 3h6gA1 PHE 76 HB3 -0.09 -0.03 0.17 -0.04 3.06 3.06 3h6gA1 PHE 76 HD2 0.01 0.11 -0.02 -0.04 7.28 7.34 3h6gA1 PHE 76 HE2 -0.60 -0.00 -0.32 -0.04 7.38 6.41 3h6gA1 PHE 76 HZ -0.64 0.06 -0.13 -0.04 7.32 6.56 3h6gA1 GLY 77 H 0.12 0.37 -0.13 -0.55 8.43 8.25 3h6gA1 GLY 77 HA2 -0.06 -0.07 0.06 -0.51 4.01 3.44 3h6gA1 GLY 77 HA3 0.40 0.02 0.22 -0.51 4.01 4.14 3h6gA1 PRO 78 HA -0.08 0.27 0.47 -0.51 4.44 4.59 3h6gA1 PRO 78 HB2 -0.01 -0.24 -0.02 -0.04 2.28 1.97 3h6gA1 PRO 78 HB3 -0.08 0.08 -0.07 -0.04 2.02 1.91 3h6gA1 PRO 78 HG2 -0.00 -0.08 -0.43 -0.04 2.03 1.48 3h6gA1 PRO 78 HG3 -0.06 0.03 -0.13 -0.04 2.03 1.83 3h6gA1 PRO 78 HD2 0.05 0.12 0.05 -0.04 3.68 3.86 3h6gA1 PRO 78 HD3 -0.08 0.14 0.11 -0.04 3.65 3.78 3h6gA1 SER 79 H 0.08 -0.01 0.19 -0.55 8.46 8.17 3h6gA1 SER 79 HA 0.01 0.20 0.37 -0.75 4.49 4.32 3h6gA1 SER 79 HB2 0.31 -0.07 0.11 -0.04 3.95 4.25 3h6gA1 SER 79 HB3 0.04 -0.00 0.03 -0.04 3.93 3.96 3h6gA1 HIS 80 H 0.21 -0.01 0.05 -0.55 8.41 8.11 3h6gA1 HIS 80 HA 0.03 0.21 0.41 -0.75 4.63 4.53 3h6gA1 HIS 80 HB2 -0.02 -0.07 0.13 -0.04 3.26 3.26 3h6gA1 HIS 80 HB3 0.12 -0.02 0.01 -0.04 3.20 3.28 3h6gA1 HIS 80 HD2 0.22 0.02 0.02 -0.04 6.97 7.18 3h6gA1 HIS 80 HE1 0.04 0.03 -0.01 -0.04 7.75 7.77 3h6gA1 SER 81 H 0.06 0.17 0.17 -0.55 8.46 8.31 3h6gA1 SER 81 HA -0.06 0.16 0.22 -0.75 4.49 4.05 3h6gA1 SER 81 HB2 -0.02 0.04 0.19 -0.04 3.95 4.12 3h6gA1 SER 81 HB3 0.07 -0.07 0.18 -0.04 3.93 4.07 3h6gA1 SER 82 H 0.12 0.06 -0.05 -0.55 8.46 8.04 3h6gA1 SER 82 HA 0.02 0.15 0.25 -0.75 4.49 4.16 3h6gA1 SER 82 HB2 0.05 0.05 0.02 -0.04 3.95 4.04 3h6gA1 SER 82 HB3 0.06 0.07 0.09 -0.04 3.93 4.10 3h6gA1 SER 83 H 0.08 0.09 -0.10 -0.55 8.46 7.98 3h6gA1 SER 83 HA 0.01 0.08 0.56 -0.75 4.49 4.39 3h6gA1 SER 83 HB2 0.03 -0.02 0.01 -0.04 3.95 3.93 3h6gA1 SER 83 HB3 -0.01 0.09 -0.05 -0.04 3.93 3.91 3h6gA1 ALA 84 H 0.02 0.49 -0.31 -0.55 8.40 8.05 3h6gA1 ALA 84 HA 0.04 0.08 0.26 -0.75 4.34 3.97 3h6gA1 ALA 84 HB3 -0.01 0.02 -0.28 -0.04 1.41 1.10 3h6gA1 ASN 85 H -0.04 0.49 -0.17 -0.55 8.53 8.27 3h6gA1 ASN 85 HA -0.10 0.10 0.43 -0.75 4.76 4.44 3h6gA1 ASN 85 HB2 -0.04 0.03 0.08 -0.04 2.88 2.91 3h6gA1 ASN 85 HB3 -0.06 -0.00 -0.02 -0.04 2.79 2.66 3h6gA1 ASN 85 HD21 -0.11 -0.02 -0.05 -0.04 7.03 6.82 3h6gA1 ASN 85 HD22 -0.05 -0.06 -0.09 -0.04 7.74 7.50 3h6gA1 ALA 86 H -0.04 0.23 -0.49 -0.55 8.40 7.55 3h6gA1 ALA 86 HA -0.05 0.11 0.48 -0.75 4.34 4.13 3h6gA1 ALA 86 HB3 -0.02 0.03 0.09 -0.04 1.41 1.46 3h6gA1 VAL 87 H -0.12 0.49 -0.02 -0.55 8.24 8.04 3h6gA1 VAL 87 HA -0.18 0.07 0.51 -0.75 4.13 3.77 3h6gA1 VAL 87 HB -0.30 0.08 0.09 -0.04 2.12 1.94 3h6gA1 VAL 87 HG13 -0.51 -0.00 -0.05 -0.04 0.97 0.37 3h6gA1 VAL 87 HG23 -0.13 0.01 -0.03 -0.04 0.95 0.76 3h6gA1 GLN 88 H -0.19 0.24 -0.55 -0.55 8.47 7.43 3h6gA1 GLN 88 HA -0.19 0.12 0.41 -0.75 4.36 3.95 3h6gA1 GLN 88 HB2 0.14 0.05 0.02 -0.04 2.15 2.32 3h6gA1 GLN 88 HB3 -0.10 0.02 0.07 -0.04 2.02 1.97 3h6gA1 GLN 88 HG2 -0.05 -0.04 -0.34 -0.04 2.40 1.93 3h6gA1 GLN 88 HG3 -0.00 0.04 -0.10 -0.04 2.39 2.28 3h6gA1 GLN 88 HE21 -0.40 -0.00 -0.10 -0.04 6.97 6.43 3h6gA1 GLN 88 HE22 -0.14 -0.05 -0.13 -0.04 7.69 7.33 3h6gA1 SER 89 H -0.09 0.26 -0.33 -0.55 8.46 7.76 3h6gA1 SER 89 HA -0.02 0.05 0.45 -0.75 4.49 4.21 3h6gA1 SER 89 HB2 -0.05 0.14 0.16 -0.04 3.95 4.16 3h6gA1 SER 89 HB3 -0.05 0.06 0.06 -0.04 3.93 3.96 3h6gA1 ILE 90 H -0.09 0.32 -0.22 -0.55 8.25 7.71 3h6gA1 ILE 90 HA -0.06 0.08 0.50 -0.75 4.18 3.96 3h6gA1 ILE 90 HB -0.12 0.04 0.16 -0.04 1.89 1.93 3h6gA1 ILE 90 HG12 -0.04 0.01 0.01 -0.04 1.49 1.43 3h6gA1 ILE 90 HG13 -0.05 0.04 0.06 -0.04 1.21 1.21 3h6gA1 ILE 90 HG23 -0.08 0.01 -0.19 -0.04 0.93 0.63 3h6gA1 ILE 90 HD13 -0.06 -0.02 -0.02 -0.04 0.88 0.73 3h6gA1 CYS 91 H -0.14 0.58 -0.07 -0.55 8.50 8.32 3h6gA1 CYS 91 HA -0.10 -0.03 0.35 -0.75 4.58 4.05 3h6gA1 CYS 91 HB2 -0.08 -0.00 0.17 -0.04 2.97 3.02 3h6gA1 CYS 91 HB3 0.03 0.37 0.07 -0.04 2.97 3.40 3h6gA1 ASN 92 H -0.03 0.18 -0.75 -0.55 8.53 7.38 3h6gA1 ASN 92 HA -0.04 0.04 0.56 -0.75 4.76 4.57 3h6gA1 ASN 92 HB2 0.12 0.09 0.15 -0.04 2.88 3.20 3h6gA1 ASN 92 HB3 0.03 0.12 0.14 -0.04 2.79 3.04 3h6gA1 ASN 92 HD21 0.10 0.03 -0.07 -0.04 7.03 7.05 3h6gA1 ASN 92 HD22 0.04 0.07 -0.15 -0.04 7.74 7.66 3h6gA1 ALA 93 H -0.06 0.40 -0.05 -0.55 8.40 8.15 3h6gA1 ALA 93 HA -0.05 0.04 0.52 -0.75 4.34 4.09 3h6gA1 ALA 93 HB3 -0.04 0.01 0.12 -0.04 1.41 1.46 3h6gA1 LEU 94 H -0.12 0.39 -0.26 -0.55 8.37 7.84 3h6gA1 LEU 94 HA -0.04 0.20 0.65 -0.75 4.35 4.40 3h6gA1 LEU 94 HB2 -0.08 0.02 -0.04 -0.04 1.64 1.50 3h6gA1 LEU 94 HB3 -0.05 -0.04 0.06 -0.04 1.64 1.57 3h6gA1 LEU 94 HG -0.01 0.10 -0.14 -0.04 1.64 1.55 3h6gA1 LEU 94 HD13 -0.02 0.05 -0.35 -0.04 0.93 0.57 3h6gA1 LEU 94 HD23 -0.05 -0.03 -0.26 -0.04 0.89 0.51 3h6gA1 GLY 95 H -0.41 0.24 -0.56 -0.55 8.43 7.15 3h6gA1 GLY 95 HA2 -2.18 0.04 0.31 -0.51 4.01 1.67 3h6gA1 GLY 95 HA3 -0.47 -0.06 0.31 -0.51 4.01 3.28 3h6gA1 VAL 96 H -0.16 0.24 -0.18 -0.55 8.24 7.59 3h6gA1 VAL 96 HA 0.43 0.21 0.92 -0.75 4.13 4.93 3h6gA1 VAL 96 HB -0.05 -0.13 0.01 -0.04 2.12 1.91 3h6gA1 VAL 96 HG13 -0.04 0.04 -0.30 -0.04 0.97 0.63 3h6gA1 VAL 96 HG23 -0.20 0.03 -0.05 -0.04 0.95 0.69 3h6gA1 PRO 97 HA 0.24 0.10 0.33 -0.51 4.44 4.60 3h6gA1 PRO 97 HB2 -0.10 -0.07 -0.01 -0.04 2.28 2.07 3h6gA1 PRO 97 HB3 -0.09 0.01 -0.06 -0.04 2.02 1.83 3h6gA1 PRO 97 HG2 0.03 0.08 0.04 -0.04 2.03 2.14 3h6gA1 PRO 97 HG3 0.23 0.00 0.01 -0.04 2.03 2.23 3h6gA1 PRO 97 HD2 0.43 0.37 0.25 -0.04 3.68 4.69 3h6gA1 PRO 97 HD3 0.74 0.15 0.24 -0.04 3.65 4.74 3h6gA1 HIS 98 H 0.18 0.63 0.30 -0.55 8.41 8.98 3h6gA1 HIS 98 HA -0.13 0.15 0.99 -0.75 4.63 4.89 3h6gA1 HIS 98 HB2 -0.01 0.05 0.13 -0.04 3.26 3.39 3h6gA1 HIS 98 HB3 0.04 0.04 0.29 -0.04 3.20 3.52 3h6gA1 HIS 98 HD2 -0.13 0.18 0.15 -0.04 6.97 7.12 3h6gA1 HIS 98 HE1 -0.13 0.05 -0.04 -0.04 7.75 7.59 3h6gA1 ILE 99 H -0.31 0.51 0.20 -0.55 8.25 8.10 3h6gA1 ILE 99 HA -0.28 0.17 0.94 -0.75 4.18 4.25 3h6gA1 ILE 99 HB -0.74 -0.08 0.09 -0.04 1.89 1.12 3h6gA1 ILE 99 HG12 -0.81 0.03 -0.23 -0.04 1.49 0.44 3h6gA1 ILE 99 HG13 -1.19 0.02 -0.17 -0.04 1.21 -0.17 3h6gA1 ILE 99 HG23 -0.13 0.01 -0.16 -0.04 0.93 0.61 3h6gA1 ILE 99 HD13 -0.35 0.02 -0.37 -0.04 0.88 0.14 3h6gA1 GLN 100 H -0.20 0.64 0.34 -0.55 8.47 8.70 3h6gA1 GLN 100 HA -0.19 0.21 0.73 -0.75 4.36 4.36 3h6gA1 GLN 100 HB2 -0.12 0.06 0.14 -0.04 2.15 2.19 3h6gA1 GLN 100 HB3 -0.14 -0.10 0.07 -0.04 2.02 1.81 3h6gA1 GLN 100 HG2 -0.38 0.01 -0.13 -0.04 2.40 1.87 3h6gA1 GLN 100 HG3 -0.68 0.04 -0.25 -0.04 2.39 1.45 3h6gA1 GLN 100 HE21 -0.55 -0.02 -0.15 -0.04 6.97 6.21 3h6gA1 GLN 100 HE22 -0.22 0.02 -0.14 -0.04 7.69 7.32 3h6gA1 THR 101 H -0.01 0.16 0.16 -0.55 8.28 8.04 3h6gA1 THR 101 HA 0.12 0.13 0.86 -0.75 4.39 4.74 3h6gA1 THR 101 HB 0.13 -0.06 0.04 -0.04 4.32 4.39 3h6gA1 THR 101 HG23 0.15 0.04 -0.34 -0.04 1.22 1.03 3h6gA1 ARG 102 H -0.02 0.23 0.11 -0.55 8.46 8.23 3h6gA1 ARG 102 HA -0.14 0.12 0.89 -0.75 4.34 4.46 3h6gA1 ARG 102 HB2 -0.02 -0.08 -0.13 -0.04 1.90 1.63 3h6gA1 ARG 102 HB3 -0.10 0.22 0.05 -0.04 1.80 1.92 3h6gA1 ARG 102 HG2 -0.17 -0.04 -0.02 -0.04 1.67 1.40 3h6gA1 ARG 102 HG3 -0.20 0.04 0.08 -0.04 1.67 1.55 3h6gA1 ARG 102 HD2 -0.05 -0.06 0.04 -0.04 3.22 3.11 3h6gA1 ARG 102 HD3 -0.04 0.09 0.09 -0.04 3.22 3.33 3h6gA1 TRP 103 H -0.68 0.07 0.10 -0.55 7.97 6.92 3h6gA1 TRP 103 HA -0.29 0.12 0.47 -0.75 4.62 4.17 3h6gA1 TRP 103 HB2 -0.88 0.07 0.02 -0.04 3.23 2.39 3h6gA1 TRP 103 HB3 -0.83 -0.07 0.06 -0.04 3.23 2.35 3h6gA1 TRP 103 HD1 -0.27 0.03 -0.01 -0.04 7.22 6.92 3h6gA1 TRP 103 HE1 -0.14 -0.03 0.02 -0.04 10.20 10.01 3h6gA1 TRP 103 HE3 -0.28 -0.04 -0.31 -0.04 7.59 6.92 3h6gA1 TRP 103 HZ2 0.26 0.04 -0.08 -0.04 7.44 7.61 3h6gA1 TRP 103 HZ3 0.06 -0.07 -0.09 -0.04 7.13 6.99 3h6gA1 TRP 103 HH2 0.14 0.01 -0.07 -0.04 7.19 7.23 3h6gA1 LYS 104 H -1.05 0.35 0.19 -0.55 8.42 7.35 3h6gA1 LYS 104 HA -0.74 0.02 0.36 -0.75 4.32 3.22 3h6gA1 LYS 104 HB2 -0.35 -0.05 0.07 -0.04 1.87 1.50 3h6gA1 LYS 104 HB3 -0.29 0.03 0.03 -0.04 1.79 1.52 3h6gA1 LYS 104 HG2 -0.35 0.07 -0.14 -0.04 1.46 1.00 3h6gA1 LYS 104 HG3 -0.46 0.04 -0.20 -0.04 1.46 0.80 3h6gA1 LYS 104 HD2 -0.22 -0.02 -0.12 -0.04 1.69 1.29 3h6gA1 LYS 104 HD3 -0.18 -0.04 -0.19 -0.04 1.68 1.23 3h6gA1 LYS 104 HE2 -0.22 0.00 -0.29 -0.04 2.99 2.44 3h6gA1 LYS 104 HE3 -0.30 0.04 -0.19 -0.04 2.99 2.51 3h6gA1 HIS 105 H -0.52 0.07 0.07 -0.55 8.41 7.48 3h6gA1 HIS 105 HA -0.77 0.02 0.35 -0.75 4.63 3.48 3h6gA1 HIS 105 HB2 -0.04 -0.07 0.08 -0.04 3.26 3.20 3h6gA1 HIS 105 HB3 -0.13 -0.00 0.06 -0.04 3.20 3.09 3h6gA1 HIS 105 HD2 0.45 -0.06 0.00 -0.04 6.97 7.33 3h6gA1 HIS 105 HE1 0.06 0.01 -0.06 -0.04 7.75 7.72 3h6gA1 GLN 106 H -0.36 0.09 0.20 -0.55 8.47 7.85 3h6gA1 GLN 106 HA -0.26 0.11 0.61 -0.75 4.36 4.07 3h6gA1 GLN 106 HB2 -0.11 -0.09 0.16 -0.04 2.15 2.07 3h6gA1 GLN 106 HB3 -0.09 0.14 -0.05 -0.04 2.02 1.98 3h6gA1 GLN 106 HG2 -0.25 -0.01 0.06 -0.04 2.40 2.17 3h6gA1 GLN 106 HG3 -0.02 -0.01 0.01 -0.04 2.39 2.33 3h6gA1 GLN 106 HE21 -0.23 0.04 -0.12 -0.04 6.97 6.62 3h6gA1 GLN 106 HE22 -0.22 -0.08 -0.07 -0.04 7.69 7.28 3h6gA1 VAL 107 H -0.17 0.19 0.16 -0.55 8.24 7.87 3h6gA1 VAL 107 HA -0.15 0.09 0.73 -0.75 4.13 4.04 3h6gA1 VAL 107 HB -0.05 0.00 0.00 -0.04 2.12 2.03 3h6gA1 VAL 107 HG13 -0.02 -0.02 -0.02 -0.04 0.97 0.87 3h6gA1 VAL 107 HG23 -0.07 0.02 0.00 -0.04 0.95 0.86 3h6gA1 SER 108 H -0.04 0.12 0.13 -0.55 8.46 8.13 3h6gA1 SER 108 HA -0.02 0.14 0.25 -0.75 4.49 4.11 3h6gA1 SER 108 HB2 0.00 -0.02 0.08 -0.04 3.95 3.97 3h6gA1 SER 108 HB3 0.00 0.07 0.04 -0.04 3.93 4.00 3h6gA1 ASP 109 H -0.01 0.01 -0.08 -0.55 8.40 7.77 3h6gA1 ASP 109 HA 0.00 0.18 0.33 -0.75 4.63 4.39 3h6gA1 ASP 109 HB2 -0.00 -0.06 0.03 -0.04 2.71 2.64 3h6gA1 ASP 109 HB3 0.00 0.04 0.15 -0.04 2.70 2.85 3h6gA1 ASN 110 H -0.01 0.34 -0.90 -0.55 8.53 7.42 3h6gA1 ASN 110 HA 0.00 0.06 0.83 -0.75 4.76 4.90 3h6gA1 ASN 110 HB2 -0.03 -0.11 -0.02 -0.04 2.88 2.68 3h6gA1 ASN 110 HB3 -0.02 0.21 0.11 -0.04 2.79 3.05 3h6gA1 ASN 110 HD21 -0.02 0.01 -0.01 -0.04 7.03 6.96 3h6gA1 ASN 110 HD22 -0.02 -0.00 0.01 -0.04 7.74 7.68 3h6gA1 LYS 111 H 0.02 0.07 0.13 -0.55 8.42 8.09 3h6gA1 LYS 111 HA 0.03 0.25 0.39 -0.75 4.32 4.23 3h6gA1 LYS 111 HB2 0.02 -0.05 0.08 -0.04 1.87 1.88 3h6gA1 LYS 111 HB3 0.03 0.01 0.04 -0.04 1.79 1.83 3h6gA1 LYS 111 HG2 0.01 -0.02 -0.02 -0.04 1.46 1.39 3h6gA1 LYS 111 HG3 0.01 0.03 -0.01 -0.04 1.46 1.45 3h6gA1 LYS 111 HD2 0.01 0.09 -0.58 -0.04 1.69 1.18 3h6gA1 LYS 111 HD3 0.01 0.12 -0.20 -0.04 1.68 1.56 3h6gA1 LYS 111 HE2 0.01 -0.04 -0.05 -0.04 2.99 2.87 3h6gA1 LYS 111 HE3 0.01 0.01 -0.07 -0.04 2.99 2.89 3h6gA1 ASP 112 H 0.07 -0.06 -0.18 -0.55 8.40 7.69 3h6gA1 ASP 112 HA 0.14 0.01 0.41 -0.75 4.63 4.43 3h6gA1 ASP 112 HB2 0.20 0.01 -0.05 -0.04 2.71 2.83 3h6gA1 ASP 112 HB3 0.26 0.02 -0.08 -0.04 2.70 2.85 3h6gA1 SER 113 H 0.20 -0.05 0.23 -0.55 8.46 8.29 3h6gA1 SER 113 HA -0.16 0.26 0.86 -0.75 4.49 4.69 3h6gA1 SER 113 HB2 -0.18 0.01 0.10 -0.04 3.95 3.85 3h6gA1 SER 113 HB3 -0.04 0.13 -0.07 -0.04 3.93 3.90 3h6gA1 PHE 114 H 0.34 -0.07 0.08 -0.55 8.34 8.13 3h6gA1 PHE 114 HA -0.03 0.21 0.64 -0.75 4.62 4.69 3h6gA1 PHE 114 HB2 0.07 -0.08 0.05 -0.04 3.15 3.15 3h6gA1 PHE 114 HB3 0.07 0.09 -0.02 -0.04 3.06 3.16 3h6gA1 PHE 114 HD2 0.07 -0.08 -0.19 -0.04 7.28 7.04 3h6gA1 PHE 114 HE2 0.09 0.02 -0.17 -0.04 7.38 7.28 3h6gA1 PHE 114 HZ 0.06 -0.05 -0.06 -0.04 7.32 7.23 3h6gA1 TYR 115 H -0.28 0.52 -0.39 -0.55 8.29 7.59 3h6gA1 TYR 115 HA -0.09 0.16 0.55 -0.75 4.56 4.42 3h6gA1 TYR 115 HB2 -0.12 0.06 0.11 -0.04 3.06 3.07 3h6gA1 TYR 115 HB3 0.05 -0.01 -0.16 -0.04 2.98 2.83 3h6gA1 TYR 115 HD2 -0.05 -0.08 -0.45 -0.04 7.15 6.53 3h6gA1 TYR 115 HE2 -0.06 0.01 -0.22 -0.04 6.85 6.54 3h6gA1 VAL 116 H -0.15 0.32 0.28 -0.55 8.24 8.14 3h6gA1 VAL 116 HA -0.29 0.32 0.66 -0.75 4.13 4.08 3h6gA1 VAL 116 HB -1.01 0.01 0.03 -0.04 2.12 1.11 3h6gA1 VAL 116 HG13 -0.61 0.01 -0.13 -0.04 0.97 0.20 3h6gA1 VAL 116 HG23 -0.42 -0.03 -0.13 -0.04 0.95 0.33 3h6gA1 SER 117 H -0.00 0.54 0.22 -0.55 8.46 8.67 3h6gA1 SER 117 HA 0.02 0.16 0.92 -0.75 4.49 4.83 3h6gA1 SER 117 HB2 0.06 0.07 -0.17 -0.04 3.95 3.87 3h6gA1 SER 117 HB3 0.12 -0.03 0.09 -0.04 3.93 4.07 3h6gA1 LEU 118 H 0.13 0.62 0.15 -0.55 8.37 8.72 3h6gA1 LEU 118 HA 0.28 0.17 0.47 -0.75 4.35 4.51 3h6gA1 LEU 118 HB2 0.16 0.07 0.11 -0.04 1.64 1.93 3h6gA1 LEU 118 HB3 0.13 -0.06 0.05 -0.04 1.64 1.72 3h6gA1 LEU 118 HG 0.40 0.04 -0.14 -0.04 1.64 1.90 3h6gA1 LEU 118 HD13 0.20 0.01 -0.09 -0.04 0.93 1.01 3h6gA1 LEU 118 HD23 0.16 0.01 -0.14 -0.04 0.89 0.88 3h6gA1 TYR 119 H 0.23 -0.03 -0.52 -0.55 8.29 7.41 3h6gA1 TYR 119 HA 0.00 0.14 0.48 -0.75 4.56 4.43 3h6gA1 TYR 119 HB2 0.05 0.04 -0.49 -0.04 3.06 2.61 3h6gA1 TYR 119 HB3 0.08 -0.05 -0.31 -0.04 2.98 2.66 3h6gA1 TYR 119 HD2 0.08 0.07 -0.22 -0.04 7.15 7.04 3h6gA1 TYR 119 HE2 0.09 -0.06 -0.02 -0.04 6.85 6.82 3h6gA1 PRO 120 HA -0.44 0.22 0.39 -0.51 4.44 4.10 3h6gA1 PRO 120 HB2 -0.69 -0.07 0.03 -0.04 2.28 1.52 3h6gA1 PRO 120 HB3 -2.10 0.07 -0.01 -0.04 2.02 -0.05 3h6gA1 PRO 120 HG2 -0.65 -0.07 0.06 -0.04 2.03 1.33 3h6gA1 PRO 120 HG3 -0.68 0.16 0.08 -0.04 2.03 1.54 3h6gA1 PRO 120 HD2 -1.66 -0.05 0.14 -0.04 3.68 2.06 3h6gA1 PRO 120 HD3 -0.48 0.22 0.25 -0.04 3.65 3.60 3h6gA1 ASP 121 H 0.19 0.64 0.28 -0.55 8.40 8.97 3h6gA1 ASP 121 HA 0.36 0.01 0.21 -0.75 4.63 4.45 3h6gA1 ASP 121 HB2 0.24 0.11 -0.05 -0.04 2.71 2.98 3h6gA1 ASP 121 HB3 0.27 -0.07 0.05 -0.04 2.70 2.92 3h6gA1 PHE 122 H 0.29 0.13 0.16 -0.55 8.34 8.37 3h6gA1 PHE 122 HA -0.10 0.10 0.48 -0.75 4.62 4.35 3h6gA1 PHE 122 HB2 -0.07 -0.03 0.15 -0.04 3.15 3.16 3h6gA1 PHE 122 HB3 -0.19 0.11 -0.01 -0.04 3.06 2.93 3h6gA1 PHE 122 HD2 -0.65 0.07 -0.08 -0.04 7.28 6.57 3h6gA1 PHE 122 HE2 -0.84 0.00 -0.05 -0.04 7.38 6.45 3h6gA1 PHE 122 HZ -0.46 -0.06 -0.06 -0.04 7.32 6.70 3h6gA1 SER 123 H 0.26 0.09 -0.11 -0.55 8.46 8.15 3h6gA1 SER 123 HA 0.11 0.06 0.36 -0.75 4.49 4.26 3h6gA1 SER 123 HB2 0.12 0.09 0.01 -0.04 3.95 4.12 3h6gA1 SER 123 HB3 0.16 0.02 0.09 -0.04 3.93 4.16 3h6gA1 SER 124 H 0.21 0.13 -0.29 -0.55 8.46 7.97 3h6gA1 SER 124 HA 0.18 0.09 0.46 -0.75 4.49 4.46 3h6gA1 SER 124 HB2 0.46 0.09 0.04 -0.04 3.95 4.49 3h6gA1 SER 124 HB3 0.24 -0.00 0.04 -0.04 3.93 4.16 3h6gA1 LEU 125 H 0.10 0.34 -0.16 -0.55 8.37 8.11 3h6gA1 LEU 125 HA -0.38 0.04 0.41 -0.75 4.35 3.67 3h6gA1 LEU 125 HB2 -0.04 0.03 0.17 -0.04 1.64 1.76 3h6gA1 LEU 125 HB3 -0.18 -0.02 -0.06 -0.04 1.64 1.33 3h6gA1 LEU 125 HG 0.06 0.15 -0.14 -0.04 1.64 1.67 3h6gA1 LEU 125 HD13 0.05 -0.03 -0.06 -0.04 0.93 0.84 3h6gA1 LEU 125 HD23 -0.18 -0.01 -0.07 -0.04 0.89 0.59 3h6gA1 SER 126 H -0.11 0.69 0.09 -0.55 8.46 8.59 3h6gA1 SER 126 HA -0.16 0.03 0.56 -0.75 4.49 4.17 3h6gA1 SER 126 HB2 -0.08 0.21 0.18 -0.04 3.95 4.22 3h6gA1 SER 126 HB3 -0.03 0.10 0.07 -0.04 3.93 4.03 3h6gA1 ARG 127 H -0.07 0.39 -0.34 -0.55 8.46 7.89 3h6gA1 ARG 127 HA 0.00 0.03 0.29 -0.75 4.34 3.90 3h6gA1 ARG 127 HB2 0.09 0.07 0.12 -0.04 1.90 2.14 3h6gA1 ARG 127 HB3 0.22 0.09 0.05 -0.04 1.80 2.12 3h6gA1 ARG 127 HG2 0.13 -0.06 0.04 -0.04 1.67 1.73 3h6gA1 ARG 127 HG3 0.11 0.00 0.01 -0.04 1.67 1.75 3h6gA1 ARG 127 HD2 0.17 0.02 -0.00 -0.04 3.22 3.37 3h6gA1 ARG 127 HD3 0.45 -0.01 -0.08 -0.04 3.22 3.54 3h6gA1 ALA 128 H -0.62 0.40 -0.21 -0.55 8.40 7.42 3h6gA1 ALA 128 HA -0.78 0.02 0.33 -0.75 4.34 3.15 3h6gA1 ALA 128 HB3 -2.53 0.02 0.02 -0.04 1.41 -1.12 3h6gA1 ILE 129 H -0.34 0.52 -0.27 -0.55 8.25 7.60 3h6gA1 ILE 129 HA 0.06 0.03 0.47 -0.75 4.18 4.00 3h6gA1 ILE 129 HB -0.10 0.13 0.14 -0.04 1.89 2.02 3h6gA1 ILE 129 HG12 -0.20 0.27 -0.00 -0.04 1.49 1.52 3h6gA1 ILE 129 HG13 -0.07 -0.09 -0.06 -0.04 1.21 0.95 3h6gA1 ILE 129 HG23 -0.01 -0.02 -0.18 -0.04 0.93 0.68 3h6gA1 ILE 129 HD13 0.17 -0.01 -0.11 -0.04 0.88 0.89 3h6gA1 LEU 130 H -0.08 0.48 -0.11 -0.55 8.37 8.11 3h6gA1 LEU 130 HA -0.01 0.01 0.31 -0.75 4.35 3.90 3h6gA1 LEU 130 HB2 0.02 -0.04 0.01 -0.04 1.64 1.58 3h6gA1 LEU 130 HB3 0.03 0.12 0.11 -0.04 1.64 1.86 3h6gA1 LEU 130 HG 0.13 0.00 -0.20 -0.04 1.64 1.53 3h6gA1 LEU 130 HD13 0.14 -0.01 0.00 -0.04 0.93 1.02 3h6gA1 LEU 130 HD23 0.22 0.01 -0.07 -0.04 0.89 1.01 3h6gA1 ASP 131 H -0.04 0.55 -0.24 -0.55 8.40 8.12 3h6gA1 ASP 131 HA 0.02 0.04 0.33 -0.75 4.63 4.25 3h6gA1 ASP 131 HB2 0.06 0.04 0.11 -0.04 2.71 2.88 3h6gA1 ASP 131 HB3 0.16 -0.07 -0.05 -0.04 2.70 2.71 3h6gA1 LEU 132 H -0.08 0.41 -0.38 -0.55 8.37 7.78 3h6gA1 LEU 132 HA -0.26 0.01 0.39 -0.75 4.35 3.74 3h6gA1 LEU 132 HB2 -0.03 0.04 0.08 -0.04 1.64 1.69 3h6gA1 LEU 132 HB3 -0.14 0.13 0.15 -0.04 1.64 1.74 3h6gA1 LEU 132 HG -0.58 -0.00 -0.26 -0.04 1.64 0.76 3h6gA1 LEU 132 HD13 -0.50 -0.01 -0.06 -0.04 0.93 0.32 3h6gA1 LEU 132 HD23 -0.28 -0.02 -0.13 -0.04 0.89 0.43 3h6gA1 VAL 133 H -0.22 0.56 -0.03 -0.55 8.24 8.01 3h6gA1 VAL 133 HA -0.76 -0.00 0.41 -0.75 4.13 3.02 3h6gA1 VAL 133 HB -0.10 0.11 0.08 -0.04 2.12 2.18 3h6gA1 VAL 133 HG13 0.03 0.00 -0.29 -0.04 0.97 0.67 3h6gA1 VAL 133 HG23 -0.15 -0.00 -0.08 -0.04 0.95 0.68 3h6gA1 GLN 134 H -0.13 0.49 -0.34 -0.55 8.47 7.94 3h6gA1 GLN 134 HA -0.09 0.09 0.38 -0.75 4.36 3.99 3h6gA1 GLN 134 HB2 -0.09 0.11 0.10 -0.04 2.15 2.22 3h6gA1 GLN 134 HB3 -0.13 -0.04 -0.01 -0.04 2.02 1.81 3h6gA1 GLN 134 HG2 -0.20 -0.00 -0.01 -0.04 2.40 2.14 3h6gA1 GLN 134 HG3 -0.09 0.03 -0.02 -0.04 2.39 2.27 3h6gA1 GLN 134 HE21 -0.37 -0.04 -0.03 -0.04 6.97 6.48 3h6gA1 GLN 134 HE22 -0.24 0.03 -0.02 -0.04 7.69 7.42 3h6gA1 PHE 135 H -0.09 0.34 -0.28 -0.55 8.34 7.75 3h6gA1 PHE 135 HA -0.13 0.07 0.62 -0.75 4.62 4.42 3h6gA1 PHE 135 HB2 -0.19 -0.04 0.13 -0.04 3.15 3.01 3h6gA1 PHE 135 HB3 -0.44 0.11 0.21 -0.04 3.06 2.90 3h6gA1 PHE 135 HD2 -0.57 0.03 -0.07 -0.04 7.28 6.63 3h6gA1 PHE 135 HE2 0.01 -0.01 -0.05 -0.04 7.38 7.29 3h6gA1 PHE 135 HZ 0.02 -0.02 -0.04 -0.04 7.32 7.24 3h6gA1 PHE 136 H -0.32 0.42 -0.14 -0.55 8.34 7.75 3h6gA1 PHE 136 HA -0.27 0.08 0.60 -0.75 4.62 4.27 3h6gA1 PHE 136 HB2 -1.13 0.06 0.09 -0.04 3.15 2.13 3h6gA1 PHE 136 HB3 -0.26 -0.03 0.10 -0.04 3.06 2.84 3h6gA1 PHE 136 HD2 -0.58 0.02 -0.08 -0.04 7.28 6.59 3h6gA1 PHE 136 HE2 0.06 -0.04 -0.11 -0.04 7.38 7.25 3h6gA1 PHE 136 HZ 0.15 -0.05 -0.10 -0.04 7.32 7.28 3h6gA1 LYS 137 H -0.11 0.13 -0.88 -0.55 8.42 7.01 3h6gA1 LYS 137 HA -0.02 0.10 0.23 -0.75 4.32 3.88 3h6gA1 LYS 137 HB2 0.03 0.15 -0.23 -0.04 1.87 1.78 3h6gA1 LYS 137 HB3 0.02 -0.08 0.16 -0.04 1.79 1.84 3h6gA1 LYS 137 HG2 -0.06 0.01 0.01 -0.04 1.46 1.37 3h6gA1 LYS 137 HG3 -0.13 0.12 -0.22 -0.04 1.46 1.19 3h6gA1 LYS 137 HD2 -0.05 -0.00 -0.07 -0.04 1.69 1.53 3h6gA1 LYS 137 HD3 -0.02 -0.05 -0.01 -0.04 1.68 1.56 3h6gA1 LYS 137 HE2 -0.05 -0.06 -0.00 -0.04 2.99 2.84 3h6gA1 LYS 137 HE3 -0.05 -0.03 0.01 -0.04 2.99 2.88 3h6gA1 TRP 138 H 0.08 0.25 -0.32 -0.55 7.97 7.43 3h6gA1 TRP 138 HA -0.22 0.03 0.47 -0.75 4.62 4.14 3h6gA1 TRP 138 HB2 -0.09 -0.03 -0.01 -0.04 3.23 3.06 3h6gA1 TRP 138 HB3 -0.20 0.05 -0.07 -0.04 3.23 2.97 3h6gA1 TRP 138 HD1 -0.22 0.22 -0.18 -0.04 7.22 7.00 3h6gA1 TRP 138 HE1 -0.19 0.02 -0.01 -0.04 10.20 9.97 3h6gA1 TRP 138 HE3 -0.06 -0.01 -0.12 -0.04 7.59 7.37 3h6gA1 TRP 138 HZ2 -0.88 -0.01 -0.10 -0.04 7.44 6.40 3h6gA1 TRP 138 HZ3 -0.03 -0.10 -0.24 -0.04 7.13 6.72 3h6gA1 TRP 138 HH2 -0.14 -0.03 -0.17 -0.04 7.19 6.81 3h6gA1 LYS 139 H 0.02 0.07 0.28 -0.55 8.42 8.23 3h6gA1 LYS 139 HA 0.07 0.27 0.94 -0.75 4.32 4.85 3h6gA1 LYS 139 HB2 0.02 -0.06 0.12 -0.04 1.87 1.91 3h6gA1 LYS 139 HB3 0.03 -0.01 0.20 -0.04 1.79 1.97 3h6gA1 LYS 139 HG2 0.04 0.05 0.02 -0.04 1.46 1.53 3h6gA1 LYS 139 HG3 0.04 0.15 -0.10 -0.04 1.46 1.52 3h6gA1 LYS 139 HD2 0.02 -0.04 0.05 -0.04 1.69 1.68 3h6gA1 LYS 139 HD3 0.02 -0.04 0.05 -0.04 1.68 1.67 3h6gA1 LYS 139 HE2 0.02 -0.02 0.02 -0.04 2.99 2.97 3h6gA1 LYS 139 HE3 0.02 0.08 0.03 -0.04 2.99 3.07 3h6gA1 THR 140 H -0.03 0.08 0.18 -0.55 8.28 7.97 3h6gA1 THR 140 HA 0.01 0.34 0.93 -0.75 4.39 4.92 3h6gA1 THR 140 HB -0.02 -0.06 0.12 -0.04 4.32 4.32 3h6gA1 THR 140 HG23 -0.05 -0.01 -0.15 -0.04 1.22 0.97 3h6gA1 VAL 141 H 0.01 0.37 0.22 -0.55 8.24 8.30 3h6gA1 VAL 141 HA -0.07 0.25 0.64 -0.75 4.13 4.20 3h6gA1 VAL 141 HB 0.31 0.09 -0.27 -0.04 2.12 2.21 3h6gA1 VAL 141 HG13 0.12 -0.00 -0.17 -0.04 0.97 0.88 3h6gA1 VAL 141 HG23 0.22 -0.02 -0.29 -0.04 0.95 0.82 3h6gA1 THR 142 H -0.06 0.73 0.37 -0.55 8.28 8.77 3h6gA1 THR 142 HA -0.02 0.20 1.11 -0.75 4.39 4.93 3h6gA1 THR 142 HB -0.09 0.05 0.14 -0.04 4.32 4.38 3h6gA1 THR 142 HG23 -0.05 -0.02 -0.25 -0.04 1.22 0.86 3h6gA1 VAL 143 H 0.01 0.51 0.27 -0.55 8.24 8.49 3h6gA1 VAL 143 HA -0.01 0.10 0.88 -0.75 4.13 4.34 3h6gA1 VAL 143 HB 0.05 0.01 0.15 -0.04 2.12 2.29 3h6gA1 VAL 143 HG13 0.06 -0.03 -0.18 -0.04 0.97 0.78 3h6gA1 VAL 143 HG23 0.03 0.01 -0.10 -0.04 0.95 0.85 3h6gA1 VAL 144 H -0.07 0.79 0.37 -0.55 8.24 8.78 3h6gA1 VAL 144 HA 0.03 0.35 1.01 -0.75 4.13 4.77 3h6gA1 VAL 144 HB 0.03 -0.05 0.16 -0.04 2.12 2.22 3h6gA1 VAL 144 HG13 0.18 -0.02 -0.28 -0.04 0.97 0.81 3h6gA1 VAL 144 HG23 -0.08 0.03 -0.22 -0.04 0.95 0.63 3h6gA1 TYR 145 H -0.07 0.55 0.29 -0.55 8.29 8.51 3h6gA1 TYR 145 HA 0.07 0.34 1.11 -0.75 4.56 5.32 3h6gA1 TYR 145 HB2 0.01 -0.17 -0.00 -0.04 3.06 2.86 3h6gA1 TYR 145 HB3 0.01 0.03 -0.17 -0.04 2.98 2.81 3h6gA1 TYR 145 HD2 0.02 -0.02 -0.39 -0.04 7.15 6.72 3h6gA1 TYR 145 HE2 0.01 -0.02 -0.28 -0.04 6.85 6.52 3h6gA1 ASP 146 H 0.19 0.20 0.26 -0.55 8.40 8.51 3h6gA1 ASP 146 HA -0.00 0.21 0.81 -0.75 4.63 4.89 3h6gA1 ASP 146 HB2 0.07 0.04 0.05 -0.04 2.71 2.82 3h6gA1 ASP 146 HB3 0.07 0.02 0.11 -0.04 2.70 2.86 3h6gA1 ASP 147 H 0.18 0.02 0.17 -0.55 8.40 8.22 3h6gA1 ASP 147 HA 0.17 0.39 1.00 -0.75 4.63 5.44 3h6gA1 ASP 147 HB2 0.10 0.05 0.11 -0.04 2.71 2.93 3h6gA1 ASP 147 HB3 0.10 0.07 -0.06 -0.04 2.70 2.77 3h6gA1 SER 148 H 0.14 0.25 0.13 -0.55 8.46 8.43 3h6gA1 SER 148 HA 0.03 0.13 0.32 -0.75 4.49 4.22 3h6gA1 SER 148 HB2 0.06 -0.08 0.10 -0.04 3.95 3.99 3h6gA1 SER 148 HB3 0.02 0.07 0.01 -0.04 3.93 3.99 3h6gA1 THR 149 H 0.09 0.06 -0.28 -0.55 8.28 7.60 3h6gA1 THR 149 HA 0.06 0.08 0.19 -0.75 4.39 3.96 3h6gA1 THR 149 HB 0.32 0.02 0.06 -0.04 4.32 4.67 3h6gA1 THR 149 HG23 0.18 0.01 0.02 -0.04 1.22 1.39 3h6gA1 GLY 150 H 0.05 0.53 -0.16 -0.55 8.43 8.31 3h6gA1 GLY 150 HA2 -0.09 -0.02 0.49 -0.51 4.01 3.88 3h6gA1 GLY 150 HA3 0.02 0.04 0.25 -0.51 4.01 3.81 3h6gA1 LEU 151 H -0.34 0.35 -0.15 -0.55 8.37 7.69 3h6gA1 LEU 151 HA -0.30 0.06 0.34 -0.75 4.35 3.69 3h6gA1 LEU 151 HB2 -0.21 0.19 0.13 -0.04 1.64 1.71 3h6gA1 LEU 151 HB3 -0.19 0.01 -0.09 -0.04 1.64 1.33 3h6gA1 LEU 151 HG -0.96 -0.05 -0.02 -0.04 1.64 0.57 3h6gA1 LEU 151 HD13 -0.18 0.00 -0.03 -0.04 0.93 0.68 3h6gA1 LEU 151 HD23 -0.45 0.01 -0.06 -0.04 0.89 0.35 3h6gA1 ILE 152 H -0.11 0.20 -0.36 -0.55 8.25 7.43 3h6gA1 ILE 152 HA -0.05 0.08 0.31 -0.75 4.18 3.77 3h6gA1 ILE 152 HB 0.04 0.09 0.11 -0.04 1.89 2.09 3h6gA1 ILE 152 HG12 -0.01 0.05 -0.02 -0.04 1.49 1.46 3h6gA1 ILE 152 HG13 -0.04 -0.01 -0.04 -0.04 1.21 1.08 3h6gA1 ILE 152 HG23 0.27 -0.01 -0.08 -0.04 0.93 1.07 3h6gA1 ILE 152 HD13 -0.10 -0.02 -0.04 -0.04 0.88 0.69 3h6gA1 ARG 153 H -0.38 0.40 -0.16 -0.55 8.46 7.77 3h6gA1 ARG 153 HA -0.96 -0.02 0.44 -0.75 4.34 3.05 3h6gA1 ARG 153 HB2 -1.76 -0.06 0.10 -0.04 1.90 0.14 3h6gA1 ARG 153 HB3 -0.61 0.13 0.09 -0.04 1.80 1.37 3h6gA1 ARG 153 HG2 -0.71 0.03 0.06 -0.04 1.67 1.01 3h6gA1 ARG 153 HG3 -2.08 -0.06 0.06 -0.04 1.67 -0.45 3h6gA1 ARG 153 HD2 -0.32 0.03 -0.08 -0.04 3.22 2.81 3h6gA1 ARG 153 HD3 -0.30 0.05 -0.05 -0.04 3.22 2.88 3h6gA1 LEU 154 H -0.23 0.39 -0.48 -0.55 8.37 7.51 3h6gA1 LEU 154 HA -0.15 0.17 0.94 -0.75 4.35 4.55 3h6gA1 LEU 154 HB2 -0.12 0.12 0.01 -0.04 1.64 1.60 3h6gA1 LEU 154 HB3 -0.07 -0.05 0.13 -0.04 1.64 1.61 3h6gA1 LEU 154 HG -0.14 -0.02 -0.17 -0.04 1.64 1.27 3h6gA1 LEU 154 HD13 -0.02 -0.00 -0.12 -0.04 0.93 0.75 3h6gA1 LEU 154 HD23 -0.11 0.03 -0.11 -0.04 0.89 0.67 3h6gA1 GLN 155 H -0.10 0.37 -0.24 -0.55 8.47 7.95 3h6gA1 GLN 155 HA -0.05 0.09 0.33 -0.75 4.36 3.98 3h6gA1 GLN 155 HB2 -0.01 0.02 0.01 -0.04 2.15 2.13 3h6gA1 GLN 155 HB3 -0.02 0.03 0.09 -0.04 2.02 2.07 3h6gA1 GLN 155 HG2 -0.00 0.10 0.11 -0.04 2.40 2.57 3h6gA1 GLN 155 HG3 0.02 -0.01 -0.04 -0.04 2.39 2.31 3h6gA1 GLN 155 HE21 0.08 -0.02 -0.01 -0.04 6.97 6.98 3h6gA1 GLN 155 HE22 0.03 0.02 -0.03 -0.04 7.69 7.68 3h6gA1 GLU 156 H -0.03 0.12 -0.17 -0.55 8.60 7.98 3h6gA1 GLU 156 HA -0.01 0.08 0.30 -0.75 4.29 3.91 3h6gA1 GLU 156 HB2 -0.02 -0.04 -0.15 -0.04 2.09 1.84 3h6gA1 GLU 156 HB3 0.01 0.07 -0.10 -0.04 1.99 1.93 3h6gA1 GLU 156 HG2 0.01 -0.06 0.03 -0.04 2.34 2.28 3h6gA1 GLU 156 HG3 0.03 0.09 0.00 -0.04 2.34 2.42 3h6gA1 LEU 157 H -0.04 0.10 -0.57 -0.55 8.37 7.32 3h6gA1 LEU 157 HA 0.01 0.09 0.43 -0.75 4.35 4.13 3h6gA1 LEU 157 HB2 -0.03 -0.08 0.05 -0.04 1.64 1.54 3h6gA1 LEU 157 HB3 -0.02 0.10 0.02 -0.04 1.64 1.70 3h6gA1 LEU 157 HG 0.02 0.00 -0.03 -0.04 1.64 1.60 3h6gA1 LEU 157 HD13 0.00 -0.02 -0.12 -0.04 0.93 0.75 3h6gA1 LEU 157 HD23 0.04 0.01 -0.19 -0.04 0.89 0.71 3h6gA1 ILE 158 H -0.03 0.46 0.01 -0.55 8.25 8.14 3h6gA1 ILE 158 HA -0.01 0.06 0.42 -0.75 4.18 3.90 3h6gA1 ILE 158 HB -0.04 0.04 0.12 -0.04 1.89 1.97 3h6gA1 ILE 158 HG12 -0.02 -0.00 -0.03 -0.04 1.49 1.40 3h6gA1 ILE 158 HG13 -0.04 0.13 -0.00 -0.04 1.21 1.25 3h6gA1 ILE 158 HG23 -0.02 -0.01 -0.07 -0.04 0.93 0.78 3h6gA1 ILE 158 HD13 -0.08 -0.02 -0.07 -0.04 0.88 0.67 3h6gA1 LYS 159 H -0.02 0.35 -0.42 -0.55 8.42 7.77 3h6gA1 LYS 159 HA -0.02 0.14 0.66 -0.75 4.32 4.34 3h6gA1 LYS 159 HB2 -0.03 0.06 -0.00 -0.04 1.87 1.86 3h6gA1 LYS 159 HB3 -0.04 -0.04 0.08 -0.04 1.79 1.75 3h6gA1 LYS 159 HG2 -0.02 0.00 -0.05 -0.04 1.46 1.35 3h6gA1 LYS 159 HG3 -0.02 0.02 -0.11 -0.04 1.46 1.31 3h6gA1 LYS 159 HD2 -0.01 -0.00 -0.04 -0.04 1.69 1.60 3h6gA1 LYS 159 HD3 -0.00 -0.06 -0.07 -0.04 1.68 1.50 3h6gA1 LYS 159 HE2 -0.01 0.03 -0.35 -0.04 2.99 2.63 3h6gA1 LYS 159 HE3 -0.01 0.04 -0.09 -0.04 2.99 2.89 3h6gA1 ALA 160 H -0.02 0.33 -0.41 -0.55 8.40 7.75 3h6gA1 ALA 160 HA -0.19 -0.01 0.52 -0.75 4.34 3.90 3h6gA1 ALA 160 HB3 0.04 0.04 0.09 -0.04 1.41 1.54 3h6gA1 PRO 161 HA 0.02 0.01 0.28 -0.51 4.44 4.24 3h6gA1 PRO 161 HB2 0.00 -0.05 -0.03 -0.04 2.28 2.16 3h6gA1 PRO 161 HB3 0.02 0.17 0.22 -0.04 2.02 2.39 3h6gA1 PRO 161 HG2 0.01 0.01 0.03 -0.04 2.03 2.04 3h6gA1 PRO 161 HG3 0.03 0.07 -0.02 -0.04 2.03 2.07 3h6gA1 PRO 161 HD2 -0.01 0.20 -0.38 -0.04 3.68 3.45 3h6gA1 PRO 161 HD3 0.01 0.17 0.02 -0.04 3.65 3.82 3h6gA1 SER 162 H -0.06 0.09 -0.78 -0.55 8.46 7.16 3h6gA1 SER 162 HA -0.02 0.19 0.88 -0.75 4.49 4.78 3h6gA1 SER 162 HB2 -0.05 0.04 0.00 -0.04 3.95 3.91 3h6gA1 SER 162 HB3 -0.03 -0.05 0.07 -0.04 3.93 3.88 3h6gA1 ARG 163 H -0.14 0.21 0.11 -0.55 8.46 8.08 3h6gA1 ARG 163 HA -0.08 0.11 0.87 -0.75 4.34 4.49 3h6gA1 ARG 163 HB2 -0.53 -0.03 0.07 -0.04 1.90 1.36 3h6gA1 ARG 163 HB3 -0.19 -0.04 0.10 -0.04 1.80 1.63 3h6gA1 ARG 163 HG2 -0.20 0.00 0.08 -0.04 1.67 1.51 3h6gA1 ARG 163 HG3 -0.31 0.20 0.36 -0.04 1.67 1.88 3h6gA1 ARG 163 HD2 -0.42 -0.02 0.05 -0.04 3.22 2.79 3h6gA1 ARG 163 HD3 -1.25 -0.02 0.07 -0.04 3.22 1.97 3h6gA1 TYR 164 H -0.37 0.16 0.18 -0.55 8.29 7.71 3h6gA1 TYR 164 HA 0.01 0.13 0.58 -0.75 4.56 4.52 3h6gA1 TYR 164 HB2 0.01 0.01 -0.06 -0.04 3.06 2.99 3h6gA1 TYR 164 HB3 0.01 -0.05 0.10 -0.04 2.98 3.00 3h6gA1 TYR 164 HD2 0.01 0.04 -0.09 -0.04 7.15 7.08 3h6gA1 TYR 164 HE2 0.01 -0.01 -0.04 -0.04 6.85 6.76 3h6gA1 ASN 165 H 0.16 0.13 -0.00 -0.55 8.53 8.27 3h6gA1 ASN 165 HA 0.07 0.29 0.86 -0.75 4.76 5.23 3h6gA1 ASN 165 HB2 0.06 -0.00 -0.01 -0.04 2.88 2.89 3h6gA1 ASN 165 HB3 0.05 -0.01 0.20 -0.04 2.79 3.00 3h6gA1 ASN 165 HD21 0.02 -0.03 0.02 -0.04 7.03 7.00 3h6gA1 ASN 165 HD22 0.03 -0.01 0.06 -0.04 7.74 7.78 3h6gA1 LEU 166 H 0.08 0.26 -0.33 -0.55 8.37 7.83 3h6gA1 LEU 166 HA 0.07 0.35 0.94 -0.75 4.35 4.95 3h6gA1 LEU 166 HB2 0.09 -0.11 -0.11 -0.04 1.64 1.47 3h6gA1 LEU 166 HB3 0.08 0.04 -0.25 -0.04 1.64 1.47 3h6gA1 LEU 166 HG 0.11 0.17 -0.18 -0.04 1.64 1.70 3h6gA1 LEU 166 HD13 0.15 -0.05 -0.39 -0.04 0.93 0.60 3h6gA1 LEU 166 HD23 0.12 -0.03 -0.20 -0.04 0.89 0.74 3h6gA1 ARG 167 H 0.03 0.43 0.20 -0.55 8.46 8.57 3h6gA1 ARG 167 HA 0.02 0.10 0.81 -0.75 4.34 4.52 3h6gA1 ARG 167 HB2 0.01 0.04 0.18 -0.04 1.90 2.09 3h6gA1 ARG 167 HB3 0.00 -0.04 0.05 -0.04 1.80 1.78 3h6gA1 ARG 167 HG2 0.01 0.01 0.07 -0.04 1.67 1.72 3h6gA1 ARG 167 HG3 0.02 0.02 -0.01 -0.04 1.67 1.65 3h6gA1 ARG 167 HD2 0.00 -0.03 0.02 -0.04 3.22 3.17 3h6gA1 ARG 167 HD3 0.01 -0.01 0.01 -0.04 3.22 3.18 3h6gA1 LEU 168 H 0.01 0.25 0.16 -0.55 8.37 8.25 3h6gA1 LEU 168 HA 0.01 0.14 0.78 -0.75 4.35 4.53 3h6gA1 LEU 168 HB2 0.04 0.07 0.09 -0.04 1.64 1.80 3h6gA1 LEU 168 HB3 0.04 0.06 -0.49 -0.04 1.64 1.21 3h6gA1 LEU 168 HG 0.02 0.03 -0.05 -0.04 1.64 1.60 3h6gA1 LEU 168 HD13 0.02 -0.02 -0.33 -0.04 0.93 0.55 3h6gA1 LEU 168 HD23 0.03 -0.02 -0.14 -0.04 0.89 0.72 3h6gA1 LYS 169 H -0.00 0.45 0.35 -0.55 8.42 8.67 3h6gA1 LYS 169 HA 0.01 0.16 0.94 -0.75 4.32 4.67 3h6gA1 LYS 169 HB2 -0.02 -0.04 0.06 -0.04 1.87 1.83 3h6gA1 LYS 169 HB3 -0.01 0.01 0.02 -0.04 1.79 1.77 3h6gA1 LYS 169 HG2 -0.01 0.04 -0.11 -0.04 1.46 1.33 3h6gA1 LYS 169 HG3 -0.02 -0.03 -0.15 -0.04 1.46 1.21 3h6gA1 LYS 169 HD2 -0.05 0.01 -0.08 -0.04 1.69 1.53 3h6gA1 LYS 169 HD3 -0.03 -0.02 -0.06 -0.04 1.68 1.53 3h6gA1 LYS 169 HE2 -0.03 -0.02 -0.04 -0.04 2.99 2.85 3h6gA1 LYS 169 HE3 -0.04 0.01 -0.07 -0.04 2.99 2.85 3h6gA1 ILE 170 H 0.03 0.21 0.17 -0.55 8.25 8.10 3h6gA1 ILE 170 HA 0.06 0.30 1.08 -0.75 4.18 4.87 3h6gA1 ILE 170 HB 0.06 -0.01 0.14 -0.04 1.89 2.04 3h6gA1 ILE 170 HG12 0.05 -0.02 -0.06 -0.04 1.49 1.42 3h6gA1 ILE 170 HG13 0.04 -0.02 -0.46 -0.04 1.21 0.72 3h6gA1 ILE 170 HG23 0.21 -0.02 -0.15 -0.04 0.93 0.93 3h6gA1 ILE 170 HD13 0.02 0.01 -0.04 -0.04 0.88 0.82 3h6gA1 ARG 171 H 0.05 0.69 0.37 -0.55 8.46 9.02 3h6gA1 ARG 171 HA -0.01 0.16 0.92 -0.75 4.34 4.66 3h6gA1 ARG 171 HB2 -0.01 -0.02 -0.06 -0.04 1.90 1.77 3h6gA1 ARG 171 HB3 -0.02 0.01 0.01 -0.04 1.80 1.75 3h6gA1 ARG 171 HG2 -0.01 0.06 -0.24 -0.04 1.67 1.44 3h6gA1 ARG 171 HG3 -0.01 -0.01 -0.34 -0.04 1.67 1.27 3h6gA1 ARG 171 HD2 -0.01 -0.00 -0.13 -0.04 3.22 3.04 3h6gA1 ARG 171 HD3 -0.01 -0.00 -0.07 -0.04 3.22 3.10 3h6gA1 GLN 172 H -0.12 0.20 0.16 -0.55 8.47 8.17 3h6gA1 GLN 172 HA -0.62 0.18 1.13 -0.75 4.36 4.29 3h6gA1 GLN 172 HB2 -0.48 -0.08 -0.05 -0.04 2.15 1.50 3h6gA1 GLN 172 HB3 -0.20 -0.03 0.07 -0.04 2.02 1.82 3h6gA1 GLN 172 HG2 -0.26 0.36 0.07 -0.04 2.40 2.52 3h6gA1 GLN 172 HG3 -0.98 -0.05 -0.02 -0.04 2.39 1.30 3h6gA1 GLN 172 HE21 0.07 -0.19 0.05 -0.04 6.97 6.86 3h6gA1 GLN 172 HE22 0.00 0.57 0.19 -0.04 7.69 8.41 3h6gA1 LEU 173 H -0.18 0.50 0.21 -0.55 8.37 8.35 3h6gA1 LEU 173 HA -0.03 0.07 0.53 -0.75 4.35 4.17 3h6gA1 LEU 173 HB2 -0.03 -0.06 0.03 -0.04 1.64 1.54 3h6gA1 LEU 173 HB3 -0.02 0.10 -0.04 -0.04 1.64 1.64 3h6gA1 LEU 173 HG 0.06 -0.00 -0.18 -0.04 1.64 1.48 3h6gA1 LEU 173 HD13 0.05 -0.04 -0.24 -0.04 0.93 0.66 3h6gA1 LEU 173 HD23 0.02 0.00 -0.08 -0.04 0.89 0.79 3h6gA1 PRO 174 HA -0.02 0.18 0.73 -0.51 4.44 4.82 3h6gA1 PRO 174 HB2 -0.01 -0.09 -0.02 -0.04 2.28 2.12 3h6gA1 PRO 174 HB3 -0.01 0.05 0.10 -0.04 2.02 2.12 3h6gA1 PRO 174 HG2 -0.01 0.04 -0.25 -0.04 2.03 1.77 3h6gA1 PRO 174 HG3 -0.01 0.10 -0.03 -0.04 2.03 2.05 3h6gA1 PRO 174 HD2 -0.02 0.04 -0.02 -0.04 3.68 3.65 3h6gA1 PRO 174 HD3 -0.01 0.14 0.13 -0.04 3.65 3.87 3h6gA1 ALA 175 H -0.00 0.14 0.11 -0.55 8.40 8.10 3h6gA1 ALA 175 HA 0.01 0.03 0.34 -0.75 4.34 3.97 3h6gA1 ALA 175 HB3 0.01 -0.00 0.11 -0.04 1.41 1.49 3h6gA1 ASP 176 H -0.00 0.09 -0.16 -0.55 8.40 7.78 3h6gA1 ASP 176 HA -0.00 0.18 0.85 -0.75 4.63 4.90 3h6gA1 ASP 176 HB2 0.00 0.04 -0.01 -0.04 2.71 2.71 3h6gA1 ASP 176 HB3 -0.00 -0.02 0.06 -0.04 2.70 2.69 3h6gA1 THR 177 H -0.02 0.19 0.13 -0.55 8.28 8.04 3h6gA1 THR 177 HA -0.03 0.15 0.27 -0.75 4.39 4.03 3h6gA1 THR 177 HB -0.06 0.09 -0.13 -0.04 4.32 4.18 3h6gA1 THR 177 HG23 -0.05 0.04 0.03 -0.04 1.22 1.19 3h6gA1 LYS 178 H -0.01 0.04 -0.31 -0.55 8.42 7.58 3h6gA1 LYS 178 HA -0.01 0.16 0.52 -0.75 4.32 4.23 3h6gA1 LYS 178 HB2 -0.01 -0.03 -0.02 -0.04 1.87 1.77 3h6gA1 LYS 178 HB3 -0.01 0.07 0.06 -0.04 1.79 1.88 3h6gA1 LYS 178 HG2 -0.01 0.08 0.02 -0.04 1.46 1.51 3h6gA1 LYS 178 HG3 -0.01 -0.11 0.02 -0.04 1.46 1.32 3h6gA1 LYS 178 HD2 -0.01 -0.03 -0.00 -0.04 1.69 1.61 3h6gA1 LYS 178 HD3 -0.01 0.04 0.00 -0.04 1.68 1.68 3h6gA1 LYS 178 HE2 -0.01 0.02 0.00 -0.04 2.99 2.96 3h6gA1 LYS 178 HE3 -0.01 -0.02 0.00 -0.04 2.99 2.93 3h6gA1 ASP 179 H -0.01 0.41 -0.41 -0.55 8.40 7.84 3h6gA1 ASP 179 HA -0.01 0.14 0.57 -0.75 4.63 4.58 3h6gA1 ASP 179 HB2 -0.01 0.13 0.08 -0.04 2.71 2.87 3h6gA1 ASP 179 HB3 -0.01 -0.01 0.17 -0.04 2.70 2.82 3h6gA1 ALA 180 H -0.01 0.39 -0.68 -0.55 8.40 7.55 3h6gA1 ALA 180 HA -0.00 0.09 0.28 -0.75 4.34 3.96 3h6gA1 ALA 180 HB3 -0.02 0.03 0.08 -0.04 1.41 1.46 3h6gA1 LYS 181 H -0.00 0.20 -0.28 -0.55 8.42 7.78 3h6gA1 LYS 181 HA 0.00 0.11 0.43 -0.75 4.32 4.11 3h6gA1 LYS 181 HB2 -0.00 0.03 0.09 -0.04 1.87 1.95 3h6gA1 LYS 181 HB3 0.00 0.02 -0.04 -0.04 1.79 1.73 3h6gA1 LYS 181 HG2 -0.00 0.07 -0.01 -0.04 1.46 1.48 3h6gA1 LYS 181 HG3 -0.00 -0.05 -0.01 -0.04 1.46 1.36 3h6gA1 LYS 181 HD2 -0.00 0.00 0.02 -0.04 1.69 1.67 3h6gA1 LYS 181 HD3 0.00 0.03 -0.02 -0.04 1.68 1.65 3h6gA1 LYS 181 HE2 0.00 0.04 -0.02 -0.04 2.99 2.97 3h6gA1 LYS 181 HE3 -0.00 -0.02 0.01 -0.04 2.99 2.94 3h6gA1 PRO 182 HA 0.00 0.08 0.38 -0.51 4.44 4.40 3h6gA1 PRO 182 HB2 -0.00 0.04 -0.00 -0.04 2.28 2.28 3h6gA1 PRO 182 HB3 -0.00 0.04 0.07 -0.04 2.02 2.09 3h6gA1 PRO 182 HG2 -0.00 0.08 0.07 -0.04 2.03 2.14 3h6gA1 PRO 182 HG3 -0.00 0.04 0.06 -0.04 2.03 2.08 3h6gA1 PRO 182 HD2 -0.00 0.36 -0.04 -0.04 3.68 3.95 3h6gA1 PRO 182 HD3 -0.00 0.04 0.06 -0.04 3.65 3.71 3h6gA1 LEU 183 H 0.00 0.17 -0.39 -0.55 8.37 7.61 3h6gA1 LEU 183 HA 0.00 0.06 0.46 -0.75 4.35 4.12 3h6gA1 LEU 183 HB2 -0.00 0.01 0.05 -0.04 1.64 1.66 3h6gA1 LEU 183 HB3 0.01 0.10 0.07 -0.04 1.64 1.78 3h6gA1 LEU 183 HG 0.04 0.02 -0.43 -0.04 1.64 1.23 3h6gA1 LEU 183 HD13 -0.00 0.00 -0.04 -0.04 0.93 0.85 3h6gA1 LEU 183 HD23 0.04 0.01 -0.16 -0.04 0.89 0.75 3h6gA1 LEU 184 H 0.02 0.46 -0.12 -0.55 8.37 8.18 3h6gA1 LEU 184 HA 0.05 0.02 0.40 -0.75 4.35 4.07 3h6gA1 LEU 184 HB2 0.02 0.08 0.14 -0.04 1.64 1.84 3h6gA1 LEU 184 HB3 0.03 0.02 -0.03 -0.04 1.64 1.61 3h6gA1 LEU 184 HG 0.05 0.02 -0.00 -0.04 1.64 1.66 3h6gA1 LEU 184 HD13 -0.01 -0.01 -0.24 -0.04 0.93 0.64 3h6gA1 LEU 184 HD23 0.14 -0.01 -0.07 -0.04 0.89 0.91 3h6gA1 LYS 185 H 0.01 0.57 -0.19 -0.55 8.42 8.25 3h6gA1 LYS 185 HA 0.01 0.07 0.44 -0.75 4.32 4.09 3h6gA1 LYS 185 HB2 0.00 0.04 0.06 -0.04 1.87 1.93 3h6gA1 LYS 185 HB3 0.00 0.09 0.10 -0.04 1.79 1.94 3h6gA1 LYS 185 HG2 -0.00 -0.03 -0.10 -0.04 1.46 1.29 3h6gA1 LYS 185 HG3 0.00 0.02 0.04 -0.04 1.46 1.48 3h6gA1 LYS 185 HD2 0.00 -0.01 -0.03 -0.04 1.69 1.62 3h6gA1 LYS 185 HD3 0.00 -0.02 -0.02 -0.04 1.68 1.60 3h6gA1 LYS 185 HE2 -0.00 -0.00 -0.02 -0.04 2.99 2.92 3h6gA1 LYS 185 HE3 0.00 0.02 -0.01 -0.04 2.99 2.96 3h6gA1 GLU 186 H 0.00 0.39 -0.23 -0.55 8.60 8.21 3h6gA1 GLU 186 HA -0.02 0.02 0.42 -0.75 4.29 3.96 3h6gA1 GLU 186 HB2 -0.01 0.15 0.15 -0.04 2.09 2.34 3h6gA1 GLU 186 HB3 -0.02 -0.04 -0.02 -0.04 1.99 1.88 3h6gA1 GLU 186 HG2 -0.01 -0.04 0.03 -0.04 2.34 2.28 3h6gA1 GLU 186 HG3 -0.01 0.15 0.09 -0.04 2.34 2.53 3h6gA1 MET 187 H 0.00 0.40 -0.23 -0.55 8.47 8.09 3h6gA1 MET 187 HA -0.05 0.00 0.40 -0.75 4.52 4.12 3h6gA1 MET 187 HB2 0.04 0.13 0.10 -0.04 2.15 2.37 3h6gA1 MET 187 HB3 0.01 0.06 -0.00 -0.04 2.03 2.05 3h6gA1 MET 187 HG2 -0.02 -0.05 -0.04 -0.04 2.63 2.47 3h6gA1 MET 187 HG3 0.00 0.07 0.00 -0.04 2.56 2.59 3h6gA1 MET 187 HE3 -0.00 0.01 -0.10 -0.04 2.10 1.97 3h6gA1 LYS 188 H 0.01 0.42 -0.33 -0.55 8.42 7.96 3h6gA1 LYS 188 HA 0.04 0.04 0.33 -0.75 4.32 3.98 3h6gA1 LYS 188 HB2 0.04 0.14 0.14 -0.04 1.87 2.15 3h6gA1 LYS 188 HB3 0.02 -0.00 0.12 -0.04 1.79 1.89 3h6gA1 LYS 188 HG2 0.10 -0.05 -0.05 -0.04 1.46 1.42 3h6gA1 LYS 188 HG3 0.17 0.01 -0.03 -0.04 1.46 1.56 3h6gA1 LYS 188 HD2 0.04 0.03 -0.01 -0.04 1.69 1.71 3h6gA1 LYS 188 HD3 0.04 -0.08 -0.02 -0.04 1.68 1.57 3h6gA1 LYS 188 HE2 0.10 -0.09 -0.01 -0.04 2.99 2.94 3h6gA1 LYS 188 HE3 0.09 0.13 -0.03 -0.04 2.99 3.14 3h6gA1 ARG 189 H -0.02 0.59 0.05 -0.55 8.46 8.52 3h6gA1 ARG 189 HA -0.04 0.02 0.49 -0.75 4.34 4.05 3h6gA1 ARG 189 HB2 -0.03 0.06 0.08 -0.04 1.90 1.97 3h6gA1 ARG 189 HB3 -0.03 -0.06 0.05 -0.04 1.80 1.72 3h6gA1 ARG 189 HG2 -0.01 -0.04 0.06 -0.04 1.67 1.64 3h6gA1 ARG 189 HG3 -0.01 0.31 0.09 -0.04 1.67 2.01 3h6gA1 ARG 189 HD2 -0.01 -0.04 -0.04 -0.04 3.22 3.09 3h6gA1 ARG 189 HD3 -0.01 -0.02 0.00 -0.04 3.22 3.15 3h6gA1 GLY 190 H -0.08 0.38 -0.53 -0.55 8.43 7.66 3h6gA1 GLY 190 HA2 -0.09 0.01 0.36 -0.51 4.01 3.77 3h6gA1 GLY 190 HA3 -0.10 -0.02 0.26 -0.51 4.01 3.64 3h6gA1 LYS 191 H -0.24 0.43 -0.58 -0.55 8.42 7.47 3h6gA1 LYS 191 HA -0.87 0.05 0.26 -0.75 4.32 3.01 3h6gA1 LYS 191 HB2 -0.25 0.20 -0.13 -0.04 1.87 1.65 3h6gA1 LYS 191 HB3 -0.44 -0.11 0.23 -0.04 1.79 1.43 3h6gA1 LYS 191 HG2 -0.12 -0.06 0.02 -0.04 1.46 1.25 3h6gA1 LYS 191 HG3 -0.18 0.16 -0.10 -0.04 1.46 1.30 3h6gA1 LYS 191 HD2 -0.09 0.06 -0.10 -0.04 1.69 1.52 3h6gA1 LYS 191 HD3 -0.08 -0.05 -0.02 -0.04 1.68 1.48 3h6gA1 LYS 191 HE2 -0.02 -0.04 0.00 -0.04 2.99 2.89 3h6gA1 LYS 191 HE3 -0.04 0.03 0.00 -0.04 2.99 2.94 3h6gA1 GLU 192 H -0.32 0.56 -0.22 -0.55 8.60 8.07 3h6gA1 GLU 192 HA -0.29 0.04 0.59 -0.75 4.29 3.89 3h6gA1 GLU 192 HB2 -0.12 0.00 0.13 -0.04 2.09 2.07 3h6gA1 GLU 192 HB3 -0.13 -0.06 0.02 -0.04 1.99 1.77 3h6gA1 GLU 192 HG2 -0.11 -0.05 -0.08 -0.04 2.34 2.06 3h6gA1 GLU 192 HG3 -0.16 0.15 -0.24 -0.04 2.34 2.06 3h6gA1 PHE 193 H -0.46 0.36 0.13 -0.55 8.34 7.83 3h6gA1 PHE 193 HA -0.53 0.10 0.46 -0.75 4.62 3.89 3h6gA1 PHE 193 HB2 -0.67 -0.03 0.12 -0.04 3.15 2.52 3h6gA1 PHE 193 HB3 -0.72 0.26 0.20 -0.04 3.06 2.76 3h6gA1 PHE 193 HD2 -1.02 -0.02 -0.05 -0.04 7.28 6.15 3h6gA1 PHE 193 HE2 -0.34 -0.02 -0.02 -0.04 7.38 6.96 3h6gA1 PHE 193 HZ -0.30 -0.02 -0.00 -0.04 7.32 6.95 3h6gA1 HIS 194 H -0.30 0.07 -0.10 -0.55 8.41 7.54 3h6gA1 HIS 194 HA -0.72 0.29 1.02 -0.75 4.63 4.46 3h6gA1 HIS 194 HB2 -0.69 0.04 0.24 -0.04 3.26 2.81 3h6gA1 HIS 194 HB3 -2.15 -0.03 0.11 -0.04 3.20 1.09 3h6gA1 HIS 194 HD2 -0.38 -0.03 0.09 -0.04 6.97 6.60 3h6gA1 HIS 194 HE1 -0.22 0.03 -0.01 -0.04 7.75 7.50 3h6gA1 VAL 195 H -0.17 0.64 0.37 -0.55 8.24 8.53 3h6gA1 VAL 195 HA -0.11 0.19 1.12 -0.75 4.13 4.58 3h6gA1 VAL 195 HB -0.01 -0.01 -0.00 -0.04 2.12 2.06 3h6gA1 VAL 195 HG13 -0.61 -0.01 -0.24 -0.04 0.97 0.06 3h6gA1 VAL 195 HG23 -0.08 -0.01 -0.41 -0.04 0.95 0.41 3h6gA1 ILE 196 H -0.05 0.53 0.29 -0.55 8.25 8.46 3h6gA1 ILE 196 HA -0.03 0.29 1.05 -0.75 4.18 4.74 3h6gA1 ILE 196 HB 0.02 -0.06 0.15 -0.04 1.89 1.96 3h6gA1 ILE 196 HG12 0.15 0.03 -0.07 -0.04 1.49 1.56 3h6gA1 ILE 196 HG13 0.25 0.01 -0.17 -0.04 1.21 1.26 3h6gA1 ILE 196 HG23 0.03 -0.03 -0.22 -0.04 0.93 0.66 3h6gA1 ILE 196 HD13 0.07 -0.00 -0.13 -0.04 0.88 0.77 3h6gA1 PHE 197 H -0.21 0.61 0.29 -0.55 8.34 8.47 3h6gA1 PHE 197 HA -0.01 0.28 1.05 -0.75 4.62 5.19 3h6gA1 PHE 197 HB2 -0.53 -0.01 0.17 -0.04 3.15 2.74 3h6gA1 PHE 197 HB3 0.06 -0.12 -0.06 -0.04 3.06 2.90 3h6gA1 PHE 197 HD2 -0.37 0.01 -0.08 -0.04 7.28 6.80 3h6gA1 PHE 197 HE2 -0.30 0.03 -0.13 -0.04 7.38 6.93 3h6gA1 PHE 197 HZ -0.04 0.06 -0.13 -0.04 7.32 7.16 3h6gA1 ASP 198 H 0.16 0.82 0.21 -0.55 8.40 9.05 3h6gA1 ASP 198 HA 0.12 0.01 0.91 -0.75 4.63 4.92 3h6gA1 ASP 198 HB2 0.05 0.09 -0.02 -0.04 2.71 2.79 3h6gA1 ASP 198 HB3 0.13 -0.06 0.17 -0.04 2.70 2.91 3h6gA1 CYS 199 H 0.17 0.31 0.16 -0.55 8.50 8.59 3h6gA1 CYS 199 HA 0.12 -0.03 0.53 -0.75 4.58 4.45 3h6gA1 CYS 199 HB2 0.08 -0.11 0.08 -0.04 2.97 2.99 3h6gA1 CYS 199 HB3 0.13 0.23 -0.27 -0.04 2.97 3.02 3h6gA1 SER 200 H 0.10 0.13 0.17 -0.55 8.46 8.31 3h6gA1 SER 200 HA 0.17 0.10 0.47 -0.75 4.49 4.48 3h6gA1 SER 200 HB2 0.13 0.03 0.20 -0.04 3.95 4.27 3h6gA1 SER 200 HB3 0.10 0.09 0.19 -0.04 3.93 4.28 3h6gA1 HIS 201 H 0.41 0.12 0.20 -0.55 8.41 8.59 3h6gA1 HIS 201 HA 0.01 0.17 0.47 -0.75 4.63 4.52 3h6gA1 HIS 201 HB2 -0.01 0.21 -0.02 -0.04 3.26 3.40 3h6gA1 HIS 201 HB3 0.06 -0.16 0.01 -0.04 3.20 3.07 3h6gA1 HIS 201 HD2 0.03 0.15 -0.14 -0.04 6.97 6.96 3h6gA1 HIS 201 HE1 0.11 -0.02 0.05 -0.04 7.75 7.84 3h6gA1 GLU 202 H -0.33 -0.01 -0.21 -0.55 8.60 7.50 3h6gA1 GLU 202 HA -0.22 0.24 0.52 -0.75 4.29 4.07 3h6gA1 GLU 202 HB2 -0.12 -0.09 0.05 -0.04 2.09 1.89 3h6gA1 GLU 202 HB3 -0.10 0.12 0.01 -0.04 1.99 1.97 3h6gA1 GLU 202 HG2 -0.12 0.09 0.01 -0.04 2.34 2.29 3h6gA1 GLU 202 HG3 -0.36 0.08 -0.02 -0.04 2.34 1.99 3h6gA1 MET 203 H -0.04 -0.03 -0.21 -0.55 8.47 7.65 3h6gA1 MET 203 HA -0.04 0.10 0.48 -0.75 4.52 4.30 3h6gA1 MET 203 HB2 0.02 0.07 0.05 -0.04 2.15 2.25 3h6gA1 MET 203 HB3 -0.02 0.09 -0.06 -0.04 2.03 2.01 3h6gA1 MET 203 HG2 0.01 -0.10 0.06 -0.04 2.63 2.57 3h6gA1 MET 203 HG3 0.04 -0.10 0.08 -0.04 2.56 2.54 3h6gA1 MET 203 HE3 0.00 0.03 -0.05 -0.04 2.10 2.04 3h6gA1 ALA 204 H -0.02 0.30 -0.34 -0.55 8.40 7.79 3h6gA1 ALA 204 HA -0.09 0.06 0.32 -0.75 4.34 3.87 3h6gA1 ALA 204 HB3 -0.11 0.04 0.01 -0.04 1.41 1.31 3h6gA1 ALA 205 H -0.09 0.40 -0.20 -0.55 8.40 7.96 3h6gA1 ALA 205 HA -0.08 0.08 0.49 -0.75 4.34 4.07 3h6gA1 ALA 205 HB3 -0.05 0.04 0.09 -0.04 1.41 1.45 3h6gA1 GLY 206 H -0.08 0.30 -0.34 -0.55 8.43 7.77 3h6gA1 GLY 206 HA2 -0.04 0.10 0.44 -0.51 4.01 3.99 3h6gA1 GLY 206 HA3 -0.06 -0.04 0.30 -0.51 4.01 3.71 3h6gA1 ILE 207 H -0.16 0.43 -0.14 -0.55 8.25 7.83 3h6gA1 ILE 207 HA -0.14 0.05 0.33 -0.75 4.18 3.67 3h6gA1 ILE 207 HB -0.28 0.03 0.05 -0.04 1.89 1.65 3h6gA1 ILE 207 HG12 -0.52 -0.00 -0.08 -0.04 1.49 0.84 3h6gA1 ILE 207 HG13 -0.27 0.02 -0.03 -0.04 1.21 0.89 3h6gA1 ILE 207 HG23 -0.79 0.02 -0.13 -0.04 0.93 -0.01 3h6gA1 ILE 207 HD13 -0.08 0.00 -0.01 -0.04 0.88 0.75 3h6gA1 LEU 208 H -0.21 0.51 -0.17 -0.55 8.37 7.95 3h6gA1 LEU 208 HA -0.30 0.05 0.47 -0.75 4.35 3.81 3h6gA1 LEU 208 HB2 -0.21 0.15 0.11 -0.04 1.64 1.65 3h6gA1 LEU 208 HB3 -0.83 -0.02 -0.05 -0.04 1.64 0.71 3h6gA1 LEU 208 HG -0.25 0.22 0.06 -0.04 1.64 1.64 3h6gA1 LEU 208 HD13 -0.42 -0.02 -0.08 -0.04 0.93 0.38 3h6gA1 LEU 208 HD23 -0.20 -0.02 -0.07 -0.04 0.89 0.56 3h6gA1 LYS 209 H -0.02 0.40 -0.25 -0.55 8.42 7.99 3h6gA1 LYS 209 HA 0.16 0.04 0.39 -0.75 4.32 4.15 3h6gA1 LYS 209 HB2 0.01 0.11 0.10 -0.04 1.87 2.04 3h6gA1 LYS 209 HB3 0.03 -0.04 -0.00 -0.04 1.79 1.73 3h6gA1 LYS 209 HG2 0.07 -0.04 0.03 -0.04 1.46 1.48 3h6gA1 LYS 209 HG3 0.09 0.16 0.10 -0.04 1.46 1.77 3h6gA1 LYS 209 HD2 0.00 -0.02 0.02 -0.04 1.69 1.65 3h6gA1 LYS 209 HD3 0.01 -0.05 -0.01 -0.04 1.68 1.59 3h6gA1 LYS 209 HE2 0.01 -0.06 -0.07 -0.04 2.99 2.84 3h6gA1 LYS 209 HE3 0.01 0.08 -0.13 -0.04 2.99 2.91 3h6gA1 GLN 210 H -0.04 0.34 -0.27 -0.55 8.47 7.95 3h6gA1 GLN 210 HA -0.01 0.02 0.40 -0.75 4.36 4.02 3h6gA1 GLN 210 HB2 -0.05 0.14 0.04 -0.04 2.15 2.23 3h6gA1 GLN 210 HB3 -0.02 -0.07 -0.03 -0.04 2.02 1.86 3h6gA1 GLN 210 HG2 -0.04 0.18 0.08 -0.04 2.40 2.58 3h6gA1 GLN 210 HG3 -0.04 0.08 0.00 -0.04 2.39 2.39 3h6gA1 GLN 210 HE21 -0.01 -0.03 0.00 -0.04 6.97 6.89 3h6gA1 GLN 210 HE22 -0.02 -0.00 -0.12 -0.04 7.69 7.51 3h6gA1 ALA 211 H -0.08 0.36 -0.40 -0.55 8.40 7.74 3h6gA1 ALA 211 HA -0.04 0.06 0.29 -0.75 4.34 3.90 3h6gA1 ALA 211 HB3 -0.12 0.04 -0.01 -0.04 1.41 1.28 3h6gA1 LEU 212 H 0.01 0.48 -0.24 -0.55 8.37 8.08 3h6gA1 LEU 212 HA 0.06 -0.05 0.49 -0.75 4.35 4.10 3h6gA1 LEU 212 HB2 0.25 0.04 0.09 -0.04 1.64 1.98 3h6gA1 LEU 212 HB3 0.12 0.13 0.20 -0.04 1.64 2.05 3h6gA1 LEU 212 HG 0.07 -0.01 -0.16 -0.04 1.64 1.50 3h6gA1 LEU 212 HD13 0.16 -0.01 0.05 -0.04 0.93 1.10 3h6gA1 LEU 212 HD23 0.09 -0.01 -0.00 -0.04 0.89 0.93 3h6gA1 ALA 213 H 0.03 0.50 -0.03 -0.55 8.40 8.36 3h6gA1 ALA 213 HA 0.02 0.01 0.42 -0.75 4.34 4.03 3h6gA1 ALA 213 HB3 0.01 0.03 0.09 -0.04 1.41 1.49 3h6gA1 MET 214 H 0.00 0.16 -0.99 -0.55 8.47 7.10 3h6gA1 MET 214 HA 0.01 0.10 0.51 -0.75 4.52 4.39 3h6gA1 MET 214 HB2 -0.01 0.07 0.05 -0.04 2.15 2.22 3h6gA1 MET 214 HB3 -0.00 -0.03 0.02 -0.04 2.03 1.97 3h6gA1 MET 214 HG2 0.00 -0.05 -0.17 -0.04 2.63 2.38 3h6gA1 MET 214 HG3 -0.00 -0.06 -0.06 -0.04 2.56 2.40 3h6gA1 MET 214 HE3 0.00 -0.03 -0.06 -0.04 2.10 1.97 3h6gA1 GLY 215 H 0.02 0.51 -0.26 -0.55 8.43 8.15 3h6gA1 GLY 215 HA2 0.04 0.01 0.30 -0.51 4.01 3.85 3h6gA1 GLY 215 HA3 0.04 0.05 0.41 -0.51 4.01 4.00 3h6gA1 MET 216 H -0.04 0.46 0.04 -0.55 8.47 8.37 3h6gA1 MET 216 HA -0.46 0.20 0.80 -0.75 4.52 4.31 3h6gA1 MET 216 HB2 -0.17 0.03 -0.01 -0.04 2.15 1.96 3h6gA1 MET 216 HB3 -0.76 -0.04 0.08 -0.04 2.03 1.27 3h6gA1 MET 216 HG2 -0.22 0.03 -0.16 -0.04 2.63 2.24 3h6gA1 MET 216 HG3 -0.08 0.15 -0.51 -0.04 2.56 2.08 3h6gA1 MET 216 HE3 0.03 -0.02 -0.09 -0.04 2.10 1.98 3h6gA1 MET 217 H 0.02 0.12 -0.12 -0.55 8.47 7.94 3h6gA1 MET 217 HA 0.15 0.20 0.83 -0.75 4.52 4.95 3h6gA1 MET 217 HB2 0.12 0.01 0.18 -0.04 2.15 2.42 3h6gA1 MET 217 HB3 0.13 -0.01 0.06 -0.04 2.03 2.18 3h6gA1 MET 217 HG2 0.01 -0.06 -0.52 -0.04 2.63 2.01 3h6gA1 MET 217 HG3 0.06 -0.00 -0.07 -0.04 2.56 2.51 3h6gA1 MET 217 HE3 -0.27 -0.01 -0.08 -0.04 2.10 1.70 3h6gA1 THR 218 H 0.21 0.31 -0.19 -0.55 8.28 8.06 3h6gA1 THR 218 HA 0.08 0.32 0.56 -0.75 4.39 4.60 3h6gA1 THR 218 HB 0.10 0.01 0.12 -0.04 4.32 4.52 3h6gA1 THR 218 HG23 0.16 0.04 -0.39 -0.04 1.22 0.98 3h6gA1 GLU 219 H -0.07 0.21 0.08 -0.55 8.60 8.26 3h6gA1 GLU 219 HA -0.10 0.36 0.23 -0.75 4.29 4.03 3h6gA1 GLU 219 HB2 -0.27 0.01 0.05 -0.04 2.09 1.84 3h6gA1 GLU 219 HB3 -0.14 0.05 0.13 -0.04 1.99 1.99 3h6gA1 GLU 219 HG2 -0.53 -0.06 0.01 -0.04 2.34 1.72 3h6gA1 GLU 219 HG3 -0.32 -0.00 0.01 -0.04 2.34 1.99 3h6gA1 TYR 220 H -0.04 -0.05 -0.60 -0.55 8.29 7.06 3h6gA1 TYR 220 HA -0.40 0.11 0.52 -0.75 4.56 4.05 3h6gA1 TYR 220 HB2 -0.27 -0.01 -0.03 -0.04 3.06 2.71 3h6gA1 TYR 220 HB3 -1.17 0.02 0.02 -0.04 2.98 1.81 3h6gA1 TYR 220 HD2 -0.28 0.02 -0.01 -0.04 7.15 6.84 3h6gA1 TYR 220 HE2 -0.11 -0.01 -0.01 -0.04 6.85 6.68 3h6gA1 TYR 221 H 0.12 0.42 -0.13 -0.55 8.29 8.15 3h6gA1 TYR 221 HA -0.20 0.27 0.90 -0.75 4.56 4.78 3h6gA1 TYR 221 HB2 -0.04 -0.06 0.17 -0.04 3.06 3.09 3h6gA1 TYR 221 HB3 -0.57 -0.01 0.06 -0.04 2.98 2.42 3h6gA1 TYR 221 HD2 0.00 -0.07 -0.04 -0.04 7.15 7.00 3h6gA1 TYR 221 HE2 0.11 0.05 -0.09 -0.04 6.85 6.87 3h6gA1 HIS 222 H -0.26 0.68 0.39 -0.55 8.41 8.67 3h6gA1 HIS 222 HA -0.04 0.20 0.90 -0.75 4.63 4.94 3h6gA1 HIS 222 HB2 -0.02 0.08 -0.02 -0.04 3.26 3.25 3h6gA1 HIS 222 HB3 0.14 -0.06 0.17 -0.04 3.20 3.41 3h6gA1 HIS 222 HD2 0.21 0.07 -0.29 -0.04 6.97 6.92 3h6gA1 HIS 222 HE1 -1.30 -0.00 -0.08 -0.04 7.75 6.32 3h6gA1 TYR 223 H 0.43 0.72 0.31 -0.55 8.29 9.20 3h6gA1 TYR 223 HA 0.10 0.32 1.00 -0.75 4.56 5.22 3h6gA1 TYR 223 HB2 0.30 -0.02 0.23 -0.04 3.06 3.52 3h6gA1 TYR 223 HB3 -0.11 -0.08 -0.02 -0.04 2.98 2.73 3h6gA1 TYR 223 HD2 0.04 0.02 -0.05 -0.04 7.15 7.11 3h6gA1 TYR 223 HE2 0.07 0.04 -0.05 -0.04 6.85 6.87 3h6gA1 ILE 224 H 0.20 0.63 0.42 -0.55 8.25 8.95 3h6gA1 ILE 224 HA 0.20 0.40 1.13 -0.75 4.18 5.16 3h6gA1 ILE 224 HB 0.13 -0.04 0.11 -0.04 1.89 2.05 3h6gA1 ILE 224 HG12 0.06 0.02 -0.05 -0.04 1.49 1.48 3h6gA1 ILE 224 HG13 0.10 -0.01 -0.25 -0.04 1.21 1.01 3h6gA1 ILE 224 HG23 0.05 -0.03 -0.21 -0.04 0.93 0.70 3h6gA1 ILE 224 HD13 -0.49 0.00 -0.14 -0.04 0.88 0.22 3h6gA1 PHE 225 H 0.29 0.69 0.42 -0.55 8.34 9.19 3h6gA1 PHE 225 HA 0.21 0.16 1.13 -0.75 4.62 5.36 3h6gA1 PHE 225 HB2 0.13 0.06 0.09 -0.04 3.15 3.39 3h6gA1 PHE 225 HB3 0.13 -0.17 0.03 -0.04 3.06 3.01 3h6gA1 PHE 225 HD2 0.16 0.00 -0.05 -0.04 7.28 7.36 3h6gA1 PHE 225 HE2 -0.00 0.00 -0.06 -0.04 7.38 7.28 3h6gA1 PHE 225 HZ -0.16 0.05 -0.08 -0.04 7.32 7.09 3h6gA1 THR 226 H 0.24 0.55 0.35 -0.55 8.28 8.88 3h6gA1 THR 226 HA 0.14 0.13 0.39 -0.75 4.39 4.29 3h6gA1 THR 226 HB 0.12 0.26 0.31 -0.04 4.32 4.97 3h6gA1 THR 226 HG23 0.07 -0.05 -0.03 -0.04 1.22 1.17 3h6gA1 THR 227 H 0.27 0.08 -0.02 -0.55 8.28 8.06 3h6gA1 THR 227 HA 0.16 0.02 0.29 -0.75 4.39 4.11 3h6gA1 THR 227 HB 0.20 0.23 0.11 -0.04 4.32 4.82 3h6gA1 THR 227 HG23 0.18 0.01 -0.05 -0.04 1.22 1.31 3h6gA1 LEU 228 H 0.12 0.09 0.24 -0.55 8.37 8.27 3h6gA1 LEU 228 HA 0.12 0.41 0.62 -0.75 4.35 4.74 3h6gA1 LEU 228 HB2 0.06 -0.11 0.13 -0.04 1.64 1.68 3h6gA1 LEU 228 HB3 0.03 -0.08 0.20 -0.04 1.64 1.75 3h6gA1 LEU 228 HG 0.05 0.02 0.09 -0.04 1.64 1.76 3h6gA1 LEU 228 HD13 -0.17 0.01 0.04 -0.04 0.93 0.76 3h6gA1 LEU 228 HD23 0.02 0.04 -0.08 -0.04 0.89 0.82 3h6gA1 ASP 229 H 0.07 0.00 -0.21 -0.55 8.40 7.72 3h6gA1 ASP 229 HA 0.09 0.24 0.81 -0.75 4.63 5.01 3h6gA1 ASP 229 HB2 -0.24 -0.09 0.13 -0.04 2.71 2.47 3h6gA1 ASP 229 HB3 -0.53 0.09 0.19 -0.04 2.70 2.41 3h6gA1 LEU 230 H 0.09 0.35 -0.51 -0.55 8.37 7.75 3h6gA1 LEU 230 HA -0.04 0.03 0.37 -0.75 4.35 3.96 3h6gA1 LEU 230 HB2 0.10 0.17 0.08 -0.04 1.64 1.95 3h6gA1 LEU 230 HB3 0.10 0.05 -0.04 -0.04 1.64 1.70 3h6gA1 LEU 230 HG 0.02 0.03 -0.27 -0.04 1.64 1.37 3h6gA1 LEU 230 HD13 -0.28 -0.01 -0.04 -0.04 0.93 0.56 3h6gA1 LEU 230 HD23 0.14 0.02 -0.21 -0.04 0.89 0.81 3h6gA1 PHE 231 H 0.16 0.13 -0.31 -0.55 8.34 7.77 3h6gA1 PHE 231 HA -0.15 0.13 0.24 -0.75 4.62 4.08 3h6gA1 PHE 231 HB2 -0.01 -0.02 0.02 -0.04 3.15 3.10 3h6gA1 PHE 231 HB3 -0.12 -0.01 -0.07 -0.04 3.06 2.82 3h6gA1 PHE 231 HD2 0.07 -0.04 -0.07 -0.04 7.28 7.21 3h6gA1 PHE 231 HE2 0.05 0.12 -0.02 -0.04 7.38 7.49 3h6gA1 PHE 231 HZ 0.02 0.05 -0.00 -0.04 7.32 7.35 3h6gA1 ALA 232 H -0.18 0.37 -0.78 -0.55 8.40 7.26 3h6gA1 ALA 232 HA -0.94 0.14 0.56 -0.75 4.34 3.34 3h6gA1 ALA 232 HB3 0.00 -0.01 0.03 -0.04 1.41 1.39 3h6gA1 LEU 233 H -0.17 0.48 -0.17 -0.55 8.37 7.96 3h6gA1 LEU 233 HA -0.05 0.05 0.59 -0.75 4.35 4.19 3h6gA1 LEU 233 HB2 -0.12 0.21 0.15 -0.04 1.64 1.84 3h6gA1 LEU 233 HB3 -0.08 0.08 -0.16 -0.04 1.64 1.44 3h6gA1 LEU 233 HG -0.06 0.10 0.05 -0.04 1.64 1.69 3h6gA1 LEU 233 HD13 -0.01 -0.03 -0.01 -0.04 0.93 0.84 3h6gA1 LEU 233 HD23 -0.27 -0.02 -0.15 -0.04 0.89 0.41 3h6gA1 ASP 234 H -0.05 0.45 0.17 -0.55 8.40 8.42 3h6gA1 ASP 234 HA -0.09 -0.00 0.54 -0.75 4.63 4.33 3h6gA1 ASP 234 HB2 -0.04 -0.01 -0.28 -0.04 2.71 2.34 3h6gA1 ASP 234 HB3 -0.03 0.06 0.08 -0.04 2.70 2.78 3h6gA1 VAL 235 H -0.08 0.16 0.17 -0.55 8.24 7.94 3h6gA1 VAL 235 HA 0.13 0.21 0.74 -0.75 4.13 4.45 3h6gA1 VAL 235 HB -0.07 0.10 0.05 -0.04 2.12 2.16 3h6gA1 VAL 235 HG13 -0.03 -0.03 -0.05 -0.04 0.97 0.82 3h6gA1 VAL 235 HG23 0.03 0.00 -0.14 -0.04 0.95 0.81 3h6gA1 GLU 236 H -0.09 0.06 -0.09 -0.55 8.60 7.94 3h6gA1 GLU 236 HA -0.09 0.10 0.35 -0.75 4.29 3.89 3h6gA1 GLU 236 HB2 -0.06 -0.03 0.10 -0.04 2.09 2.06 3h6gA1 GLU 236 HB3 -0.08 0.04 0.03 -0.04 1.99 1.95 3h6gA1 GLU 236 HG2 -0.01 0.01 -0.02 -0.04 2.34 2.28 3h6gA1 GLU 236 HG3 0.01 0.02 -0.12 -0.04 2.34 2.21 3h6gA1 PRO 237 HA -0.19 0.11 0.47 -0.51 4.44 4.32 3h6gA1 PRO 237 HB2 -1.61 0.05 -0.13 -0.04 2.28 0.54 3h6gA1 PRO 237 HB3 -0.44 0.03 0.06 -0.04 2.02 1.63 3h6gA1 PRO 237 HG2 -0.37 0.07 -0.04 -0.04 2.03 1.66 3h6gA1 PRO 237 HG3 -0.22 0.04 -0.02 -0.04 2.03 1.79 3h6gA1 PRO 237 HD2 -0.27 0.15 -0.31 -0.04 3.68 3.20 3h6gA1 PRO 237 HD3 -0.16 0.02 -0.01 -0.04 3.65 3.46 3h6gA1 TYR 238 H -0.12 0.36 -0.55 -0.55 8.29 7.43 3h6gA1 TYR 238 HA 0.03 0.26 0.99 -0.75 4.56 5.08 3h6gA1 TYR 238 HB2 -0.01 0.05 -0.09 -0.04 3.06 2.96 3h6gA1 TYR 238 HB3 0.03 -0.02 -0.02 -0.04 2.98 2.94 3h6gA1 TYR 238 HD2 -0.01 0.04 -0.11 -0.04 7.15 7.03 3h6gA1 TYR 238 HE2 -0.04 0.06 -0.09 -0.04 6.85 6.74 3h6gA1 ARG 239 H -0.07 0.30 0.08 -0.55 8.46 8.22 3h6gA1 ARG 239 HA -0.03 0.09 0.19 -0.75 4.34 3.84 3h6gA1 ARG 239 HB2 -0.25 0.10 0.06 -0.04 1.90 1.77 3h6gA1 ARG 239 HB3 -0.12 -0.06 0.03 -0.04 1.80 1.61 3h6gA1 ARG 239 HG2 -0.23 0.02 0.06 -0.04 1.67 1.48 3h6gA1 ARG 239 HG3 -0.70 -0.04 0.00 -0.04 1.67 0.89 3h6gA1 ARG 239 HD2 -0.67 0.25 -0.00 -0.04 3.22 2.76 3h6gA1 ARG 239 HD3 -0.24 -0.07 -0.23 -0.04 3.22 2.64 3h6gA1 TYR 240 H 0.02 0.12 -0.38 -0.55 8.29 7.50 3h6gA1 TYR 240 HA 0.01 0.16 0.68 -0.75 4.56 4.66 3h6gA1 TYR 240 HB2 0.00 0.03 -0.02 -0.04 3.06 3.03 3h6gA1 TYR 240 HB3 0.00 0.00 0.09 -0.04 2.98 3.03 3h6gA1 TYR 240 HD2 -0.01 0.03 0.00 -0.04 7.15 7.13 3h6gA1 TYR 240 HE2 -0.01 -0.02 -0.01 -0.04 6.85 6.77 3h6gA1 SER 241 H 0.09 0.37 -0.34 -0.55 8.46 8.04 3h6gA1 SER 241 HA 0.09 0.10 0.25 -0.75 4.49 4.19 3h6gA1 SER 241 HB2 0.10 0.18 0.12 -0.04 3.95 4.31 3h6gA1 SER 241 HB3 0.13 -0.03 0.07 -0.04 3.93 4.06 3h6gA1 GLY 242 H 0.05 0.17 -0.26 -0.55 8.43 7.84 3h6gA1 GLY 242 HA2 0.00 0.03 0.22 -0.51 4.01 3.75 3h6gA1 GLY 242 HA3 -0.00 0.08 0.67 -0.51 4.01 4.25 3h6gA1 VAL 243 H 0.07 0.01 -0.42 -0.55 8.24 7.36 3h6gA1 VAL 243 HA 0.05 0.33 0.22 -0.75 4.13 3.97 3h6gA1 VAL 243 HB 0.20 0.08 -0.07 -0.04 2.12 2.29 3h6gA1 VAL 243 HG13 0.17 0.03 -0.13 -0.04 0.97 1.00 3h6gA1 VAL 243 HG23 0.12 -0.03 -0.26 -0.04 0.95 0.74 3h6gA1 ASN 244 H -0.03 0.56 0.30 -0.55 8.53 8.82 3h6gA1 ASN 244 HA -0.11 0.16 0.89 -0.75 4.76 4.94 3h6gA1 ASN 244 HB2 -0.52 0.12 0.32 -0.04 2.88 2.76 3h6gA1 ASN 244 HB3 -1.38 -0.09 0.03 -0.04 2.79 1.31 3h6gA1 ASN 244 HD21 -0.14 -0.02 -0.01 -0.04 7.03 6.82 3h6gA1 ASN 244 HD22 -0.20 -0.05 0.07 -0.04 7.74 7.51 3h6gA1 MET 245 H 0.07 0.21 0.17 -0.55 8.47 8.37 3h6gA1 MET 245 HA 0.41 0.33 0.95 -0.75 4.52 5.46 3h6gA1 MET 245 HB2 0.15 -0.07 0.09 -0.04 2.15 2.29 3h6gA1 MET 245 HB3 0.28 -0.03 -0.05 -0.04 2.03 2.18 3h6gA1 MET 245 HG2 0.49 0.03 -0.01 -0.04 2.63 3.09 3h6gA1 MET 245 HG3 0.25 0.03 -0.36 -0.04 2.56 2.43 3h6gA1 MET 245 HE3 -0.09 -0.01 -0.12 -0.04 2.10 1.84 3h6gA1 THR 246 H 0.40 0.76 0.39 -0.55 8.28 9.29 3h6gA1 THR 246 HA 0.17 0.30 1.19 -0.75 4.39 5.29 3h6gA1 THR 246 HB 0.32 -0.05 0.03 -0.04 4.32 4.59 3h6gA1 THR 246 HG23 0.07 0.02 -0.04 -0.04 1.22 1.23 3h6gA1 GLY 247 H -0.01 0.71 0.34 -0.55 8.43 8.92 3h6gA1 GLY 247 HA2 -0.04 0.13 0.54 -0.51 4.01 4.13 3h6gA1 GLY 247 HA3 0.12 -0.02 0.48 -0.51 4.01 4.09 3h6gA1 PHE 248 H 0.20 0.29 0.21 -0.55 8.34 8.49 3h6gA1 PHE 248 HA 0.01 0.25 1.09 -0.75 4.62 5.22 3h6gA1 PHE 248 HB2 -0.01 -0.02 -0.01 -0.04 3.15 3.08 3h6gA1 PHE 248 HB3 -0.00 -0.02 0.01 -0.04 3.06 3.00 3h6gA1 PHE 248 HD2 -0.04 0.05 -0.13 -0.04 7.28 7.11 3h6gA1 PHE 248 HE2 -0.16 -0.01 -0.20 -0.04 7.38 6.97 3h6gA1 PHE 248 HZ -0.31 0.23 -0.14 -0.04 7.32 7.06 3h6gA1 ARG 249 H 0.19 0.65 0.29 -0.55 8.46 9.03 3h6gA1 ARG 249 HA 0.09 0.09 0.92 -0.75 4.34 4.68 3h6gA1 ARG 249 HB2 -0.00 0.01 -0.12 -0.04 1.90 1.75 3h6gA1 ARG 249 HB3 -0.03 0.02 0.06 -0.04 1.80 1.80 3h6gA1 ARG 249 HG2 -0.01 0.06 -0.16 -0.04 1.67 1.51 3h6gA1 ARG 249 HG3 0.05 -0.06 0.15 -0.04 1.67 1.77 3h6gA1 ARG 249 HD2 -0.16 0.03 0.04 -0.04 3.22 3.10 3h6gA1 ARG 249 HD3 -0.46 -0.03 -0.02 -0.04 3.22 2.66 3h6gA1 ILE 250 H 0.03 0.08 0.25 -0.55 8.25 8.07 3h6gA1 ILE 250 HA 0.05 0.28 0.97 -0.75 4.18 4.73 3h6gA1 ILE 250 HB -0.06 -0.06 0.07 -0.04 1.89 1.81 3h6gA1 ILE 250 HG12 -0.02 0.10 0.19 -0.04 1.49 1.71 3h6gA1 ILE 250 HG13 0.06 0.25 0.18 -0.04 1.21 1.66 3h6gA1 ILE 250 HG23 -0.07 -0.03 -0.05 -0.04 0.93 0.73 3h6gA1 ILE 250 HD13 -0.28 -0.02 0.03 -0.04 0.88 0.57 3h6gA1 LEU 251 H 0.02 -0.06 0.10 -0.55 8.37 7.88 3h6gA1 LEU 251 HA -0.03 0.17 0.59 -0.75 4.35 4.32 3h6gA1 LEU 251 HB2 0.00 -0.10 0.11 -0.04 1.64 1.61 3h6gA1 LEU 251 HB3 0.05 -0.03 0.14 -0.04 1.64 1.76 3h6gA1 LEU 251 HG -0.06 0.04 -0.14 -0.04 1.64 1.44 3h6gA1 LEU 251 HD13 -0.13 0.03 -0.05 -0.04 0.93 0.74 3h6gA1 LEU 251 HD23 -0.17 -0.01 -0.02 -0.04 0.89 0.65 3h6gA1 ASN 252 H -0.04 0.74 0.36 -0.55 8.53 9.06 3h6gA1 ASN 252 HA -0.03 0.05 0.45 -0.75 4.76 4.48 3h6gA1 ASN 252 HB2 -0.03 0.09 0.07 -0.04 2.88 2.97 3h6gA1 ASN 252 HB3 -0.04 0.07 0.25 -0.04 2.79 3.02 3h6gA1 ASN 252 HD21 -0.05 -0.01 0.01 -0.04 7.03 6.95 3h6gA1 ASN 252 HD22 -0.06 0.07 0.05 -0.04 7.74 7.76 3h6gA1 THR 253 H -0.06 0.38 0.13 -0.55 8.28 8.19 3h6gA1 THR 253 HA -0.00 0.11 0.19 -0.75 4.39 3.93 3h6gA1 THR 253 HB 0.07 0.04 0.03 -0.04 4.32 4.42 3h6gA1 THR 253 HG23 0.11 0.01 -0.10 -0.04 1.22 1.20 3h6gA1 GLU 254 H -0.04 0.02 -0.22 -0.55 8.60 7.81 3h6gA1 GLU 254 HA -0.01 0.14 0.47 -0.75 4.29 4.13 3h6gA1 GLU 254 HB2 -0.03 -0.06 0.06 -0.04 2.09 2.02 3h6gA1 GLU 254 HB3 -0.02 0.02 -0.09 -0.04 1.99 1.87 3h6gA1 GLU 254 HG2 -0.02 0.02 0.01 -0.04 2.34 2.30 3h6gA1 GLU 254 HG3 -0.01 0.04 0.04 -0.04 2.34 2.36 3h6gA1 ASN 255 H -0.03 0.12 -0.23 -0.55 8.53 7.85 3h6gA1 ASN 255 HA -0.02 0.06 0.54 -0.75 4.76 4.58 3h6gA1 ASN 255 HB2 -0.04 0.04 0.09 -0.04 2.88 2.92 3h6gA1 ASN 255 HB3 -0.04 0.17 0.14 -0.04 2.79 3.02 3h6gA1 ASN 255 HD21 -0.06 0.04 0.00 -0.04 7.03 6.97 3h6gA1 ASN 255 HD22 -0.05 0.06 0.02 -0.04 7.74 7.73 3h6gA1 THR 256 H -0.01 0.17 0.21 -0.55 8.28 8.10 3h6gA1 THR 256 HA 0.01 0.17 0.29 -0.75 4.39 4.11 3h6gA1 THR 256 HB 0.00 -0.02 0.09 -0.04 4.32 4.35 3h6gA1 THR 256 HG23 0.01 0.01 0.01 -0.04 1.22 1.22 3h6gA1 GLN 257 H -0.01 0.10 -0.05 -0.55 8.47 7.96 3h6gA1 GLN 257 HA 0.01 0.11 0.44 -0.75 4.36 4.16 3h6gA1 GLN 257 HB2 -0.03 -0.04 0.03 -0.04 2.15 2.08 3h6gA1 GLN 257 HB3 -0.01 0.06 -0.04 -0.04 2.02 1.99 3h6gA1 GLN 257 HG2 0.00 0.03 0.04 -0.04 2.40 2.43 3h6gA1 GLN 257 HG3 -0.01 -0.03 0.05 -0.04 2.39 2.35 3h6gA1 GLN 257 HE21 -0.00 0.04 0.00 -0.04 6.97 6.97 3h6gA1 GLN 257 HE22 0.00 -0.00 0.01 -0.04 7.69 7.66 3h6gA1 VAL 258 H -0.02 0.16 -0.48 -0.55 8.24 7.35 3h6gA1 VAL 258 HA -0.03 0.06 0.48 -0.75 4.13 3.89 3h6gA1 VAL 258 HB -0.03 0.27 0.09 -0.04 2.12 2.40 3h6gA1 VAL 258 HG13 -0.06 -0.03 -0.10 -0.04 0.97 0.73 3h6gA1 VAL 258 HG23 -0.06 -0.03 -0.06 -0.04 0.95 0.76 3h6gA1 SER 259 H 0.00 0.39 -0.15 -0.55 8.46 8.15 3h6gA1 SER 259 HA 0.02 0.02 0.53 -0.75 4.49 4.31 3h6gA1 SER 259 HB2 0.03 0.09 0.18 -0.04 3.95 4.20 3h6gA1 SER 259 HB3 0.04 -0.05 0.01 -0.04 3.93 3.90 3h6gA1 SER 260 H 0.03 0.46 -0.13 -0.55 8.46 8.27 3h6gA1 SER 260 HA 0.05 0.05 0.36 -0.75 4.49 4.20 3h6gA1 SER 260 HB2 0.05 -0.01 0.05 -0.04 3.95 4.00 3h6gA1 SER 260 HB3 0.04 0.01 0.09 -0.04 3.93 4.03 3h6gA1 ILE 261 H 0.03 0.25 -0.42 -0.55 8.25 7.56 3h6gA1 ILE 261 HA 0.13 0.09 0.53 -0.75 4.18 4.18 3h6gA1 ILE 261 HB -0.04 0.06 0.12 -0.04 1.89 1.99 3h6gA1 ILE 261 HG12 0.09 -0.01 0.01 -0.04 1.49 1.54 3h6gA1 ILE 261 HG13 0.04 0.25 0.11 -0.04 1.21 1.58 3h6gA1 ILE 261 HG23 -0.06 -0.02 -0.09 -0.04 0.93 0.73 3h6gA1 ILE 261 HD13 0.06 -0.03 -0.03 -0.04 0.88 0.83 3h6gA1 ILE 262 H -0.00 0.48 -0.13 -0.55 8.25 8.05 3h6gA1 ILE 262 HA -0.06 -0.02 0.44 -0.75 4.18 3.78 3h6gA1 ILE 262 HB -0.00 0.19 0.17 -0.04 1.89 2.20 3h6gA1 ILE 262 HG12 -0.26 -0.12 0.06 -0.04 1.49 1.13 3h6gA1 ILE 262 HG13 -0.12 0.23 0.13 -0.04 1.21 1.40 3h6gA1 ILE 262 HG23 -0.07 -0.03 0.00 -0.04 0.93 0.79 3h6gA1 ILE 262 HD13 -0.12 -0.03 -0.04 -0.04 0.88 0.66 3h6gA1 GLU 263 H 0.08 0.30 -0.52 -0.55 8.60 7.91 3h6gA1 GLU 263 HA 0.09 0.08 0.55 -0.75 4.29 4.25 3h6gA1 GLU 263 HB2 0.06 0.12 0.11 -0.04 2.09 2.34 3h6gA1 GLU 263 HB3 0.07 0.08 0.11 -0.04 1.99 2.21 3h6gA1 GLU 263 HG2 0.05 -0.02 -0.08 -0.04 2.34 2.25 3h6gA1 GLU 263 HG3 0.06 -0.01 0.03 -0.04 2.34 2.38 3h6gA1 LYS 264 H 0.12 0.46 0.00 -0.55 8.42 8.45 3h6gA1 LYS 264 HA 0.06 0.02 0.34 -0.75 4.32 3.98 3h6gA1 LYS 264 HB2 0.31 0.08 0.09 -0.04 1.87 2.31 3h6gA1 LYS 264 HB3 0.20 -0.02 0.07 -0.04 1.79 1.99 3h6gA1 LYS 264 HG2 0.11 -0.04 0.06 -0.04 1.46 1.55 3h6gA1 LYS 264 HG3 0.12 0.19 0.19 -0.04 1.46 1.91 3h6gA1 LYS 264 HD2 0.22 -0.02 0.03 -0.04 1.69 1.89 3h6gA1 LYS 264 HD3 0.17 -0.01 0.01 -0.04 1.68 1.81 3h6gA1 LYS 264 HE2 0.09 -0.03 -0.01 -0.04 2.99 3.00 3h6gA1 LYS 264 HE3 0.09 0.10 -0.06 -0.04 2.99 3.08 3h6gA1 TRP 265 H 0.22 0.23 -0.75 -0.55 7.97 7.12 3h6gA1 TRP 265 HA -0.54 0.03 0.49 -0.75 4.62 3.85 3h6gA1 TRP 265 HB2 -0.21 -0.02 0.02 -0.04 3.23 2.97 3h6gA1 TRP 265 HB3 -0.12 0.17 0.08 -0.04 3.23 3.32 3h6gA1 TRP 265 HD1 -0.11 0.21 -0.13 -0.04 7.22 7.14 3h6gA1 TRP 265 HE1 -0.08 -0.01 -0.35 -0.04 10.20 9.72 3h6gA1 TRP 265 HE3 -0.35 0.07 -0.07 -0.04 7.59 7.20 3h6gA1 TRP 265 HZ2 -0.03 -0.11 -0.04 -0.04 7.44 7.22 3h6gA1 TRP 265 HZ3 0.02 -0.02 -0.36 -0.04 7.13 6.74 3h6gA1 TRP 265 HH2 -0.01 0.01 0.05 -0.04 7.19 7.21 3h6gA1 SER 266 H 0.17 0.39 -0.03 -0.55 8.46 8.45 3h6gA1 SER 266 HA -0.18 -0.05 0.36 -0.75 4.49 3.86 3h6gA1 SER 266 HB2 0.05 0.08 0.18 -0.04 3.95 4.22 3h6gA1 SER 266 HB3 0.03 -0.07 0.11 -0.04 3.93 3.96 3h6gA1 MET 267 H -0.09 0.25 -0.59 -0.55 8.47 7.49 3h6gA1 MET 267 HA -0.07 0.04 0.38 -0.75 4.52 4.11 3h6gA1 MET 267 HB2 -0.06 0.10 0.06 -0.04 2.15 2.21 3h6gA1 MET 267 HB3 -0.04 -0.04 -0.01 -0.04 2.03 1.89 3h6gA1 MET 267 HG2 -0.01 -0.03 -0.05 -0.04 2.63 2.49 3h6gA1 MET 267 HG3 -0.00 0.20 -0.07 -0.04 2.56 2.65 3h6gA1 MET 267 HE3 0.03 -0.02 -0.11 -0.04 2.10 1.96 3h6gA1 GLU 268 H -0.25 0.32 -0.17 -0.55 8.60 7.95 3h6gA1 GLU 268 HA -0.16 0.09 0.43 -0.75 4.29 3.90 3h6gA1 GLU 268 HB2 -0.41 0.03 0.09 -0.04 2.09 1.76 3h6gA1 GLU 268 HB3 -0.20 -0.06 0.06 -0.04 1.99 1.75 3h6gA1 GLU 268 HG2 -0.10 -0.04 -0.02 -0.04 2.34 2.14 3h6gA1 GLU 268 HG3 -0.19 0.22 0.11 -0.04 2.34 2.45 3h6gA1 LYS 275 HA -0.00 0.02 0.23 -0.75 4.32 3.81 3h6gA1 LYS 275 HB2 0.00 -0.14 -0.08 -0.04 1.87 1.61 3h6gA1 LYS 275 HB3 -0.00 0.00 0.06 -0.04 1.79 1.81 3h6gA1 LYS 275 HG2 0.01 0.04 0.05 -0.04 1.46 1.52 3h6gA1 LYS 275 HG3 0.01 0.01 0.06 -0.04 1.46 1.51 3h6gA1 LYS 275 HD2 0.02 -0.02 0.01 -0.04 1.69 1.66 3h6gA1 LYS 275 HD3 0.01 -0.06 -0.01 -0.04 1.68 1.57 3h6gA1 LYS 275 HE2 0.00 -0.02 -0.02 -0.04 2.99 2.92 3h6gA1 LYS 275 HE3 0.00 0.03 0.00 -0.04 2.99 2.99 3h6gA1 PRO 276 HA -0.01 0.20 0.58 -0.51 4.44 4.70 3h6gA1 PRO 276 HB2 -0.01 0.04 -0.02 -0.04 2.28 2.25 3h6gA1 PRO 276 HB3 -0.01 0.07 0.08 -0.04 2.02 2.12 3h6gA1 PRO 276 HG2 -0.01 0.04 0.10 -0.04 2.03 2.12 3h6gA1 PRO 276 HG3 -0.01 0.09 0.08 -0.04 2.03 2.15 3h6gA1 PRO 276 HD2 -0.01 -0.09 0.21 -0.04 3.68 3.74 3h6gA1 PRO 276 HD3 -0.00 0.17 0.22 -0.04 3.65 4.00 3h6gA1 ASP 277 H -0.01 0.15 0.06 -0.55 8.40 8.06 3h6gA1 ASP 277 HA -0.01 0.20 0.51 -0.75 4.63 4.57 3h6gA1 ASP 277 HB2 -0.01 -0.01 0.07 -0.04 2.71 2.72 3h6gA1 ASP 277 HB3 -0.01 -0.01 0.03 -0.04 2.70 2.68 3h6gA1 SER 278 H -0.01 0.16 -0.66 -0.55 8.46 7.41 3h6gA1 SER 278 HA -0.01 0.07 0.34 -0.75 4.49 4.13 3h6gA1 SER 278 HB2 -0.00 -0.06 -0.02 -0.04 3.95 3.83 3h6gA1 SER 278 HB3 -0.00 0.01 -0.02 -0.04 3.93 3.87 3h6gA1 GLY 279 H -0.01 0.22 -0.06 -0.55 8.43 8.03 3h6gA1 GLY 279 HA2 -0.02 0.05 0.30 -0.51 4.01 3.83 3h6gA1 GLY 279 HA3 -0.00 0.18 0.71 -0.51 4.01 4.38 3h6gA1 LEU 280 H -0.00 0.04 -0.12 -0.55 8.37 7.74 3h6gA1 LEU 280 HA -0.00 0.14 0.95 -0.75 4.35 4.68 3h6gA1 LEU 280 HB2 0.04 -0.02 -0.02 -0.04 1.64 1.60 3h6gA1 LEU 280 HB3 0.09 0.15 0.04 -0.04 1.64 1.87 3h6gA1 LEU 280 HG 0.08 -0.09 -0.08 -0.04 1.64 1.51 3h6gA1 LEU 280 HD13 0.03 0.03 -0.27 -0.04 0.93 0.67 3h6gA1 LEU 280 HD23 -0.04 -0.02 -0.17 -0.04 0.89 0.62 3h6gA1 LEU 281 H -0.05 0.63 0.18 -0.55 8.37 8.57 3h6gA1 LEU 281 HA -0.02 0.04 0.62 -0.75 4.35 4.24 3h6gA1 LEU 281 HB2 -0.06 -0.06 0.03 -0.04 1.64 1.50 3h6gA1 LEU 281 HB3 -0.02 0.08 -0.01 -0.04 1.64 1.65 3h6gA1 LEU 281 HG -0.18 0.05 -0.36 -0.04 1.64 1.11 3h6gA1 LEU 281 HD13 -0.34 0.01 -0.04 -0.04 0.93 0.51 3h6gA1 LEU 281 HD23 -0.09 -0.02 -0.02 -0.04 0.89 0.71 3h6gA1 ASP 282 H 0.02 0.14 0.18 -0.55 8.40 8.19 3h6gA1 ASP 282 HA 0.06 0.05 0.67 -0.75 4.63 4.65 3h6gA1 ASP 282 HB2 0.02 -0.01 0.16 -0.04 2.71 2.83 3h6gA1 ASP 282 HB3 0.02 0.02 0.12 -0.04 2.70 2.82 3h6gA1 GLY 283 H 0.09 0.11 0.18 -0.55 8.43 8.27 3h6gA1 GLY 283 HA2 0.08 0.01 0.30 -0.51 4.01 3.88 3h6gA1 GLY 283 HA3 0.06 0.14 0.34 -0.51 4.01 4.04 3h6gA1 PHE 284 H 0.28 0.14 -0.30 -0.55 8.34 7.91 3h6gA1 PHE 284 HA 0.12 0.17 0.72 -0.75 4.62 4.87 3h6gA1 PHE 284 HB2 0.02 0.09 -0.08 -0.04 3.15 3.14 3h6gA1 PHE 284 HB3 0.06 -0.04 -0.01 -0.04 3.06 3.03 3h6gA1 PHE 284 HD2 0.03 -0.04 -0.18 -0.04 7.28 7.05 3h6gA1 PHE 284 HE2 0.16 -0.09 -0.09 -0.04 7.38 7.32 3h6gA1 PHE 284 HZ 0.26 -0.07 -0.08 -0.04 7.32 7.38 3h6gA1 MET 285 H -0.61 0.22 0.08 -0.55 8.47 7.61 3h6gA1 MET 285 HA -0.12 0.05 0.59 -0.75 4.52 4.28 3h6gA1 MET 285 HB2 -0.77 0.14 0.09 -0.04 2.15 1.58 3h6gA1 MET 285 HB3 -0.65 -0.02 0.16 -0.04 2.03 1.48 3h6gA1 MET 285 HG2 -0.66 0.01 -0.18 -0.04 2.63 1.75 3h6gA1 MET 285 HG3 -1.67 -0.02 -0.05 -0.04 2.56 0.78 3h6gA1 MET 285 HE3 -1.13 0.00 -0.14 -0.04 2.10 0.79 3h6gA1 THR 286 H -0.03 0.13 0.15 -0.55 8.28 7.99 3h6gA1 THR 286 HA 0.04 0.18 0.37 -0.75 4.39 4.22 3h6gA1 THR 286 HB 0.03 -0.21 0.17 -0.04 4.32 4.27 3h6gA1 THR 286 HG23 0.15 0.08 0.04 -0.04 1.22 1.46 3h6gA1 THR 287 H 0.01 0.12 0.17 -0.55 8.28 8.03 3h6gA1 THR 287 HA -0.04 0.19 0.46 -0.75 4.39 4.24 3h6gA1 THR 287 HB 0.06 -0.10 0.13 -0.04 4.32 4.37 3h6gA1 THR 287 HG23 0.02 0.04 -0.06 -0.04 1.22 1.17 3h6gA1 ASP 288 H 0.07 0.05 -0.02 -0.55 8.40 7.96 3h6gA1 ASP 288 HA 0.12 0.18 0.37 -0.75 4.63 4.55 3h6gA1 ASP 288 HB2 0.12 0.05 0.07 -0.04 2.71 2.91 3h6gA1 ASP 288 HB3 0.13 -0.02 0.12 -0.04 2.70 2.89 3h6gA1 ALA 289 H -0.03 0.16 -0.76 -0.55 8.40 7.22 3h6gA1 ALA 289 HA 0.04 0.13 0.52 -0.75 4.34 4.28 3h6gA1 ALA 289 HB3 -0.17 0.03 -0.10 -0.04 1.41 1.13 3h6gA1 ALA 290 H -0.16 0.38 0.03 -0.55 8.40 8.10 3h6gA1 ALA 290 HA -0.19 0.11 0.54 -0.75 4.34 4.04 3h6gA1 ALA 290 HB3 -0.15 0.02 0.03 -0.04 1.41 1.27 3h6gA1 LEU 291 H 0.03 0.39 -0.32 -0.55 8.37 7.92 3h6gA1 LEU 291 HA 0.09 0.10 0.40 -0.75 4.35 4.19 3h6gA1 LEU 291 HB2 0.11 0.04 0.03 -0.04 1.64 1.78 3h6gA1 LEU 291 HB3 0.12 -0.00 -0.06 -0.04 1.64 1.66 3h6gA1 LEU 291 HG 0.04 0.06 0.02 -0.04 1.64 1.71 3h6gA1 LEU 291 HD13 0.12 -0.03 -0.09 -0.04 0.93 0.88 3h6gA1 LEU 291 HD23 0.01 0.03 -0.06 -0.04 0.89 0.82 3h6gA1 MET 292 H 0.12 0.18 -0.26 -0.55 8.47 7.97 3h6gA1 MET 292 HA 0.21 0.09 0.37 -0.75 4.52 4.44 3h6gA1 MET 292 HB2 0.20 -0.00 0.13 -0.04 2.15 2.43 3h6gA1 MET 292 HB3 0.17 0.04 0.14 -0.04 2.03 2.34 3h6gA1 MET 292 HG2 0.31 0.06 -0.03 -0.04 2.63 2.93 3h6gA1 MET 292 HG3 0.26 0.03 -0.34 -0.04 2.56 2.46 3h6gA1 MET 292 HE3 0.23 0.01 -0.03 -0.04 2.10 2.27 3h6gA1 TYR 293 H 0.21 0.41 -0.30 -0.55 8.29 8.06 3h6gA1 TYR 293 HA 0.09 0.13 0.33 -0.75 4.56 4.35 3h6gA1 TYR 293 HB2 0.05 0.01 0.09 -0.04 3.06 3.17 3h6gA1 TYR 293 HB3 -0.01 0.02 0.13 -0.04 2.98 3.08 3h6gA1 TYR 293 HD2 0.09 0.01 -0.17 -0.04 7.15 7.04 3h6gA1 TYR 293 HE2 -0.34 0.02 -0.10 -0.04 6.85 6.40 3h6gA1 ASP 294 H 0.24 0.33 -0.41 -0.55 8.40 8.01 3h6gA1 ASP 294 HA 0.25 0.04 0.52 -0.75 4.63 4.68 3h6gA1 ASP 294 HB2 0.17 0.12 0.19 -0.04 2.71 3.15 3h6gA1 ASP 294 HB3 0.21 0.03 -0.04 -0.04 2.70 2.86 3h6gA1 ALA 295 H 0.18 0.51 -0.21 -0.55 8.40 8.33 3h6gA1 ALA 295 HA 0.19 0.01 0.35 -0.75 4.34 4.14 3h6gA1 ALA 295 HB3 0.28 0.04 0.02 -0.04 1.41 1.71 3h6gA1 VAL 296 H 0.06 0.39 -0.32 -0.55 8.24 7.82 3h6gA1 VAL 296 HA -0.01 0.04 0.32 -0.75 4.13 3.73 3h6gA1 VAL 296 HB -0.23 0.08 0.06 -0.04 2.12 1.99 3h6gA1 VAL 296 HG13 -0.27 -0.00 -0.20 -0.04 0.97 0.46 3h6gA1 VAL 296 HG23 -0.59 0.03 -0.00 -0.04 0.95 0.35 3h6gA1 HIS 297 H -0.01 0.22 -0.42 -0.55 8.41 7.66 3h6gA1 HIS 297 HA -0.40 0.12 0.57 -0.75 4.63 4.17 3h6gA1 HIS 297 HB2 -0.33 0.04 0.16 -0.04 3.26 3.09 3h6gA1 HIS 297 HB3 -1.53 -0.02 -0.06 -0.04 3.20 1.54 3h6gA1 HIS 297 HD2 -0.16 -0.00 -0.02 -0.04 6.97 6.75 3h6gA1 HIS 297 HE1 -1.02 -0.03 0.03 -0.04 7.75 6.68 3h6gA1 VAL 298 H -0.13 0.63 -0.01 -0.55 8.24 8.18 3h6gA1 VAL 298 HA -0.21 0.03 0.23 -0.75 4.13 3.43 3h6gA1 VAL 298 HB 0.13 0.01 0.06 -0.04 2.12 2.28 3h6gA1 VAL 298 HG13 0.28 0.00 -0.28 -0.04 0.97 0.93 3h6gA1 VAL 298 HG23 0.18 0.00 -0.10 -0.04 0.95 0.99 3h6gA1 VAL 299 H 0.04 0.50 -0.19 -0.55 8.24 8.04 3h6gA1 VAL 299 HA 0.01 0.04 0.41 -0.75 4.13 3.83 3h6gA1 VAL 299 HB 0.10 0.12 0.01 -0.04 2.12 2.31 3h6gA1 VAL 299 HG13 0.09 -0.01 -0.23 -0.04 0.97 0.78 3h6gA1 VAL 299 HG23 -0.20 -0.02 -0.06 -0.04 0.95 0.63 3h6gA1 SER 300 H -0.01 0.33 -0.48 -0.55 8.46 7.76 3h6gA1 SER 300 HA 0.21 -0.01 0.41 -0.75 4.49 4.35 3h6gA1 SER 300 HB2 -0.21 0.12 0.16 -0.04 3.95 3.97 3h6gA1 SER 300 HB3 -0.07 -0.06 -0.05 -0.04 3.93 3.72 3h6gA1 VAL 301 H -0.13 0.52 -0.15 -0.55 8.24 7.93 3h6gA1 VAL 301 HA 0.01 -0.02 0.45 -0.75 4.13 3.82 3h6gA1 VAL 301 HB 0.01 0.22 0.13 -0.04 2.12 2.44 3h6gA1 VAL 301 HG13 0.16 0.01 -0.04 -0.04 0.97 1.06 3h6gA1 VAL 301 HG23 -0.12 0.01 0.03 -0.04 0.95 0.83 3h6gA1 ALA 302 H 0.12 0.32 -0.53 -0.55 8.40 7.77 3h6gA1 ALA 302 HA 0.16 0.07 0.44 -0.75 4.34 4.26 3h6gA1 ALA 302 HB3 0.20 0.06 -0.07 -0.04 1.41 1.55 3h6gA1 VAL 303 H 0.30 0.36 -0.07 -0.55 8.24 8.29 3h6gA1 VAL 303 HA 0.19 0.03 0.36 -0.75 4.13 3.96 3h6gA1 VAL 303 HB 0.17 0.12 0.11 -0.04 2.12 2.47 3h6gA1 VAL 303 HG13 0.03 -0.01 -0.21 -0.04 0.97 0.74 3h6gA1 VAL 303 HG23 0.36 0.04 -0.07 -0.04 0.95 1.24 3h6gA1 GLN 304 H 0.11 0.45 -0.34 -0.55 8.47 8.14 3h6gA1 GLN 304 HA 0.06 -0.00 0.34 -0.75 4.36 4.00 3h6gA1 GLN 304 HB2 0.06 0.04 0.13 -0.04 2.15 2.34 3h6gA1 GLN 304 HB3 0.07 0.14 0.02 -0.04 2.02 2.21 3h6gA1 GLN 304 HG2 0.05 0.00 0.01 -0.04 2.40 2.42 3h6gA1 GLN 304 HG3 0.04 -0.06 0.12 -0.04 2.39 2.45 3h6gA1 GLN 304 HE21 0.09 -0.02 0.06 -0.04 6.97 7.06 3h6gA1 GLN 304 HE22 0.08 0.09 0.06 -0.04 7.69 7.88 3h6gA1 GLN 305 H 0.13 0.34 -0.56 -0.55 8.47 7.84 3h6gA1 GLN 305 HA 0.06 0.07 0.56 -0.75 4.36 4.29 3h6gA1 GLN 305 HB2 0.10 0.15 0.12 -0.04 2.15 2.47 3h6gA1 GLN 305 HB3 0.03 -0.08 0.18 -0.04 2.02 2.11 3h6gA1 GLN 305 HG2 0.04 -0.06 0.01 -0.04 2.40 2.35 3h6gA1 GLN 305 HG3 0.07 0.02 -0.03 -0.04 2.39 2.41 3h6gA1 GLN 305 HE21 0.05 -0.02 0.00 -0.04 6.97 6.95 3h6gA1 GLN 305 HE22 0.04 -0.05 0.01 -0.04 7.69 7.65 3h6gA1 PHE 306 H 0.16 0.48 -0.64 -0.55 8.34 7.78 3h6gA1 PHE 306 HA -0.05 0.08 0.81 -0.75 4.62 4.70 3h6gA1 PHE 306 HB2 0.03 0.09 -0.19 -0.04 3.15 3.04 3h6gA1 PHE 306 HB3 -0.12 0.03 0.16 -0.04 3.06 3.09 3h6gA1 PHE 306 HD2 -0.06 -0.02 -0.03 -0.04 7.28 7.13 3h6gA1 PHE 306 HE2 -0.07 0.01 0.00 -0.04 7.38 7.29 3h6gA1 PHE 306 HZ 0.10 -0.04 0.01 -0.04 7.32 7.35 3h6gA1 PRO 307 HA -0.14 0.14 0.35 -0.51 4.44 4.28 3h6gA1 PRO 307 HB2 -0.09 -0.02 -0.05 -0.04 2.28 2.08 3h6gA1 PRO 307 HB3 -0.13 0.02 0.08 -0.04 2.02 1.94 3h6gA1 PRO 307 HG2 -0.01 -0.02 0.03 -0.04 2.03 1.99 3h6gA1 PRO 307 HG3 -0.01 0.17 0.06 -0.04 2.03 2.22 3h6gA1 PRO 307 HD2 0.07 0.04 0.02 -0.04 3.68 3.76 3h6gA1 PRO 307 HD3 0.07 0.15 -0.40 -0.04 3.65 3.43 3h6gA1 GLN 308 H 0.04 0.04 -0.37 -0.55 8.47 7.64 3h6gA1 GLN 308 HA -0.14 0.06 0.35 -0.75 4.36 3.88 3h6gA1 GLN 308 HB2 0.01 -0.01 -0.02 -0.04 2.15 2.08 3h6gA1 GLN 308 HB3 -0.04 -0.02 0.01 -0.04 2.02 1.93 3h6gA1 GLN 308 HG2 0.08 -0.02 0.00 -0.04 2.40 2.42 3h6gA1 GLN 308 HG3 0.01 0.01 -0.01 -0.04 2.39 2.35 3h6gA1 GLN 308 HE21 0.02 0.06 0.03 -0.04 6.97 7.04 3h6gA1 GLN 308 HE22 0.12 -0.03 0.00 -0.04 7.69 7.74 3h6gA1 MET 309 H -0.70 0.29 -0.29 -0.55 8.47 7.22 3h6gA1 MET 309 HA -1.91 -0.09 0.21 -0.75 4.52 1.98 3h6gA1 MET 309 HB2 -2.22 -0.09 0.09 -0.04 2.15 -0.12 3h6gA1 MET 309 HB3 -0.88 0.28 0.12 -0.04 2.03 1.51 3h6gA1 MET 309 HG2 -0.29 -0.01 -0.45 -0.04 2.63 1.84 3h6gA1 MET 309 HG3 -0.39 -0.05 -0.04 -0.04 2.56 2.04 3h6gA1 MET 309 HE3 -0.59 0.03 -0.04 -0.04 2.10 1.46 3h6gA1 THR 310 H -0.39 0.17 0.23 -0.55 8.28 7.74 3h6gA1 THR 310 HA 0.00 0.16 0.67 -0.75 4.39 4.47 3h6gA1 THR 310 HB 0.08 -0.01 0.16 -0.04 4.32 4.50 3h6gA1 THR 310 HG23 0.03 0.06 -0.11 -0.04 1.22 1.16 3h6gA1 VAL 311 H 0.05 0.16 0.15 -0.55 8.24 8.05 3h6gA1 VAL 311 HA 0.03 0.06 0.42 -0.75 4.13 3.88 3h6gA1 VAL 311 HB -0.03 0.02 0.09 -0.04 2.12 2.17 3h6gA1 VAL 311 HG13 -0.10 0.07 -0.28 -0.04 0.97 0.62 3h6gA1 VAL 311 HG23 -0.11 0.01 -0.19 -0.04 0.95 0.62 3h6gA1 SER 312 H -0.26 0.20 0.21 -0.55 8.46 8.05 3h6gA1 SER 312 HA 0.06 0.17 0.79 -0.75 4.49 4.76 3h6gA1 SER 312 HB2 0.15 -0.05 0.05 -0.04 3.95 4.06 3h6gA1 SER 312 HB3 0.10 0.06 -0.03 -0.04 3.93 4.03 3h6gA1 SER 313 H 0.00 0.11 0.09 -0.55 8.46 8.12 3h6gA1 SER 313 HA -0.06 0.26 0.67 -0.75 4.49 4.61 3h6gA1 SER 313 HB2 -0.02 0.05 0.08 -0.04 3.95 4.02 3h6gA1 SER 313 HB3 -0.01 -0.14 0.20 -0.04 3.93 3.94 3h6gA1 LEU 314 H -0.08 0.77 0.40 -0.55 8.37 8.91 3h6gA1 LEU 314 HA -0.02 0.11 0.82 -0.75 4.35 4.50 3h6gA1 LEU 314 HB2 -0.08 -0.02 0.02 -0.04 1.64 1.52 3h6gA1 LEU 314 HB3 -0.03 0.02 -0.04 -0.04 1.64 1.55 3h6gA1 LEU 314 HG -0.10 0.06 -0.24 -0.04 1.64 1.32 3h6gA1 LEU 314 HD13 -0.17 -0.02 0.05 -0.04 0.93 0.75 3h6gA1 LEU 314 HD23 0.07 0.01 -0.13 -0.04 0.89 0.80 3h6gA1 GLN 315 H -0.01 0.26 0.14 -0.55 8.47 8.31 3h6gA1 GLN 315 HA -0.02 0.17 0.89 -0.75 4.36 4.64 3h6gA1 GLN 315 HB2 -0.02 -0.00 0.13 -0.04 2.15 2.22 3h6gA1 GLN 315 HB3 -0.02 -0.13 0.04 -0.04 2.02 1.88 3h6gA1 GLN 315 HG2 -0.02 0.09 -0.27 -0.04 2.40 2.17 3h6gA1 GLN 315 HG3 -0.02 -0.01 -0.05 -0.04 2.39 2.27 3h6gA1 GLN 315 HE21 -0.02 0.01 -0.00 -0.04 6.97 6.91 3h6gA1 GLN 315 HE22 -0.02 -0.11 0.01 -0.04 7.69 7.54 3h6gA1 CYS 316 H -0.02 0.17 0.12 -0.55 8.50 8.22 3h6gA1 CYS 316 HA -0.00 0.18 0.37 -0.75 4.58 4.37 3h6gA1 CYS 316 HB2 -0.01 -0.06 0.07 -0.04 2.97 2.93 3h6gA1 CYS 316 HB3 -0.00 0.01 -0.00 -0.04 2.97 2.94 3h6gA1 ASN 317 H -0.00 -0.02 -0.24 -0.55 8.53 7.72 3h6gA1 ASN 317 HA 0.01 0.01 0.39 -0.75 4.76 4.43 3h6gA1 ASN 317 HB2 -0.02 -0.05 0.02 -0.04 2.88 2.79 3h6gA1 ASN 317 HB3 -0.02 0.02 -0.11 -0.04 2.79 2.64 3h6gA1 ASN 317 HD21 -0.01 -0.00 -0.00 -0.04 7.03 6.97 3h6gA1 ASN 317 HD22 -0.01 0.03 -0.01 -0.04 7.74 7.70 3h6gA1 ARG 318 H -0.01 0.23 -0.30 -0.55 8.46 7.84 3h6gA1 ARG 318 HA -0.18 0.10 0.54 -0.75 4.34 4.05 3h6gA1 ARG 318 HB2 -0.02 0.06 0.08 -0.04 1.90 1.97 3h6gA1 ARG 318 HB3 -0.07 -0.01 0.06 -0.04 1.80 1.73 3h6gA1 ARG 318 HG2 -0.06 0.03 -0.07 -0.04 1.67 1.52 3h6gA1 ARG 318 HG3 -0.04 -0.16 -0.07 -0.04 1.67 1.36 3h6gA1 ARG 318 HD2 -0.02 0.03 0.04 -0.04 3.22 3.22 3h6gA1 ARG 318 HD3 -0.03 0.03 0.01 -0.04 3.22 3.19 3h6gA1 HIS 319 H -0.24 0.10 0.11 -0.55 8.41 7.84 3h6gA1 HIS 319 HA -0.01 0.21 0.43 -0.75 4.63 4.51 3h6gA1 HIS 319 HB2 -0.00 -0.03 0.14 -0.04 3.26 3.33 3h6gA1 HIS 319 HB3 -0.00 0.03 0.19 -0.04 3.20 3.37 3h6gA1 HIS 319 HD2 -0.01 0.13 -0.26 -0.04 6.97 6.79 3h6gA1 HIS 319 HE1 -0.00 -0.04 0.02 -0.04 7.75 7.69 3h6gA1 LYS 320 H 0.03 0.16 -0.73 -0.55 8.42 7.33 3h6gA1 LYS 320 HA 0.04 0.17 0.68 -0.75 4.32 4.45 3h6gA1 LYS 320 HB2 0.01 -0.06 -0.01 -0.04 1.87 1.76 3h6gA1 LYS 320 HB3 0.01 -0.08 0.08 -0.04 1.79 1.76 3h6gA1 LYS 320 HG2 0.03 0.09 -0.19 -0.04 1.46 1.36 3h6gA1 LYS 320 HG3 0.02 0.03 -0.04 -0.04 1.46 1.42 3h6gA1 LYS 320 HD2 -0.00 -0.06 -0.00 -0.04 1.69 1.59 3h6gA1 LYS 320 HD3 0.01 -0.03 0.02 -0.04 1.68 1.63 3h6gA1 LYS 320 HE2 0.02 0.03 -0.02 -0.04 2.99 2.98 3h6gA1 LYS 320 HE3 0.01 0.01 -0.01 -0.04 2.99 2.95 3h6gA1 PRO 321 HA 0.04 0.10 0.45 -0.51 4.44 4.52 3h6gA1 PRO 321 HB2 0.04 0.01 -0.16 -0.04 2.28 2.13 3h6gA1 PRO 321 HB3 -0.02 0.00 -0.17 -0.04 2.02 1.79 3h6gA1 PRO 321 HG2 0.02 -0.05 0.05 -0.04 2.03 2.01 3h6gA1 PRO 321 HG3 0.01 0.20 0.06 -0.04 2.03 2.27 3h6gA1 PRO 321 HD2 0.03 -0.01 0.19 -0.04 3.68 3.85 3h6gA1 PRO 321 HD3 0.04 0.49 0.46 -0.04 3.65 4.59 3h6gA1 TRP 322 H 0.23 0.46 0.10 -0.55 7.97 8.21 3h6gA1 TRP 322 HA -0.04 0.04 0.53 -0.75 4.62 4.40 3h6gA1 TRP 322 HB2 -0.01 0.12 0.13 -0.04 3.23 3.44 3h6gA1 TRP 322 HB3 0.02 0.11 0.17 -0.04 3.23 3.49 3h6gA1 TRP 322 HD1 -0.01 0.00 0.10 -0.04 7.22 7.27 3h6gA1 TRP 322 HE1 0.21 0.28 0.08 -0.04 10.20 10.74 3h6gA1 TRP 322 HE3 0.17 0.25 0.17 -0.04 7.59 8.15 3h6gA1 TRP 322 HZ2 0.03 0.09 -0.15 -0.04 7.44 7.37 3h6gA1 TRP 322 HZ3 0.44 0.09 0.11 -0.04 7.13 7.72 3h6gA1 TRP 322 HH2 -0.06 0.01 0.01 -0.04 7.19 7.10 3h6gA1 ARG 323 H -0.14 0.18 0.19 -0.55 8.46 8.15 3h6gA1 ARG 323 HA -0.23 0.09 0.33 -0.75 4.34 3.78 3h6gA1 ARG 323 HB2 -1.37 -0.01 0.08 -0.04 1.90 0.56 3h6gA1 ARG 323 HB3 -0.53 0.01 0.05 -0.04 1.80 1.29 3h6gA1 ARG 323 HG2 -0.19 0.05 0.10 -0.04 1.67 1.59 3h6gA1 ARG 323 HG3 -0.24 -0.00 0.15 -0.04 1.67 1.53 3h6gA1 ARG 323 HD2 -0.33 -0.01 0.02 -0.04 3.22 2.86 3h6gA1 ARG 323 HD3 -0.15 0.01 0.03 -0.04 3.22 3.07 3h6gA1 PHE 324 H -1.48 0.13 -0.14 -0.55 8.34 6.30 3h6gA1 PHE 324 HA -0.23 0.12 0.44 -0.75 4.62 4.20 3h6gA1 PHE 324 HB2 -1.84 0.09 0.04 -0.04 3.15 1.39 3h6gA1 PHE 324 HB3 -0.69 -0.01 0.14 -0.04 3.06 2.47 3h6gA1 PHE 324 HD2 -0.14 0.10 0.03 -0.04 7.28 7.23 3h6gA1 PHE 324 HE2 -0.01 0.06 -0.02 -0.04 7.38 7.37 3h6gA1 PHE 324 HZ -0.05 0.06 -0.04 -0.04 7.32 7.24 3h6gA1 GLY 325 H -0.32 0.44 -0.47 -0.55 8.43 7.53 3h6gA1 GLY 325 HA2 0.34 0.03 0.38 -0.51 4.01 4.25 3h6gA1 GLY 325 HA3 0.39 0.41 0.47 -0.51 4.01 4.77 3h6gA1 THR 326 H 0.18 0.24 -0.02 -0.55 8.28 8.13 3h6gA1 THR 326 HA 0.06 0.05 0.29 -0.75 4.39 4.04 3h6gA1 THR 326 HB 0.07 0.03 0.10 -0.04 4.32 4.47 3h6gA1 THR 326 HG23 -0.00 0.00 -0.14 -0.04 1.22 1.04 3h6gA1 ARG 327 H 0.12 0.15 -0.34 -0.55 8.46 7.83 3h6gA1 ARG 327 HA -0.02 0.07 0.46 -0.75 4.34 4.10 3h6gA1 ARG 327 HB2 -0.03 -0.02 0.06 -0.04 1.90 1.87 3h6gA1 ARG 327 HB3 0.18 0.05 0.09 -0.04 1.80 2.08 3h6gA1 ARG 327 HG2 -0.86 -0.01 -0.02 -0.04 1.67 0.74 3h6gA1 ARG 327 HG3 -0.68 0.05 -0.31 -0.04 1.67 0.69 3h6gA1 ARG 327 HD2 -0.21 -0.03 0.05 -0.04 3.22 2.98 3h6gA1 ARG 327 HD3 -0.21 -0.03 0.01 -0.04 3.22 2.96 3h6gA1 PHE 328 H 0.39 0.54 -0.01 -0.55 8.34 8.71 3h6gA1 PHE 328 HA 0.25 0.05 0.47 -0.75 4.62 4.64 3h6gA1 PHE 328 HB2 0.24 0.06 0.15 -0.04 3.15 3.56 3h6gA1 PHE 328 HB3 0.26 0.07 0.18 -0.04 3.06 3.53 3h6gA1 PHE 328 HD2 0.44 0.05 0.03 -0.04 7.28 7.76 3h6gA1 PHE 328 HE2 0.25 0.02 -0.20 -0.04 7.38 7.41 3h6gA1 PHE 328 HZ 0.28 -0.02 -0.13 -0.04 7.32 7.41 3h6gA1 MET 329 H 0.17 0.77 0.01 -0.55 8.47 8.87 3h6gA1 MET 329 HA -0.19 -0.04 0.35 -0.75 4.52 3.89 3h6gA1 MET 329 HB2 -0.12 0.07 0.03 -0.04 2.15 2.10 3h6gA1 MET 329 HB3 -0.29 0.10 0.01 -0.04 2.03 1.80 3h6gA1 MET 329 HG2 -0.62 0.03 -0.03 -0.04 2.63 1.97 3h6gA1 MET 329 HG3 -0.30 0.01 -0.07 -0.04 2.56 2.15 3h6gA1 MET 329 HE3 -0.27 0.00 -0.19 -0.04 2.10 1.60 3h6gA1 SER 330 H -0.04 0.35 -0.42 -0.55 8.46 7.81 3h6gA1 SER 330 HA -0.10 0.02 0.40 -0.75 4.49 4.06 3h6gA1 SER 330 HB2 -0.07 0.02 0.12 -0.04 3.95 3.97 3h6gA1 SER 330 HB3 -0.04 0.13 0.17 -0.04 3.93 4.15 3h6gA1 LEU 331 H 0.02 0.45 -0.18 -0.55 8.37 8.11 3h6gA1 LEU 331 HA 0.02 0.02 0.45 -0.75 4.35 4.08 3h6gA1 LEU 331 HB2 0.20 0.10 0.17 -0.04 1.64 2.08 3h6gA1 LEU 331 HB3 0.13 -0.05 0.00 -0.04 1.64 1.69 3h6gA1 LEU 331 HG -0.05 0.06 0.05 -0.04 1.64 1.66 3h6gA1 LEU 331 HD13 -0.03 0.01 -0.10 -0.04 0.93 0.77 3h6gA1 LEU 331 HD23 -0.01 -0.02 0.02 -0.04 0.89 0.85 3h6gA1 ILE 332 H -0.12 0.55 -0.17 -0.55 8.25 7.96 3h6gA1 ILE 332 HA -0.02 0.03 0.40 -0.75 4.18 3.83 3h6gA1 ILE 332 HB -0.28 0.15 0.09 -0.04 1.89 1.81 3h6gA1 ILE 332 HG12 -0.29 -0.07 -0.02 -0.04 1.49 1.07 3h6gA1 ILE 332 HG13 -0.54 0.10 -0.02 -0.04 1.21 0.71 3h6gA1 ILE 332 HG23 -0.29 -0.04 -0.24 -0.04 0.93 0.32 3h6gA1 ILE 332 HD13 -0.79 -0.02 -0.13 -0.04 0.88 -0.11 3h6gA1 LYS 333 H -0.12 0.53 -0.14 -0.55 8.42 8.13 3h6gA1 LYS 333 HA -0.10 -0.05 0.32 -0.75 4.32 3.74 3h6gA1 LYS 333 HB2 -0.08 0.11 0.07 -0.04 1.87 1.94 3h6gA1 LYS 333 HB3 -0.04 -0.07 -0.01 -0.04 1.79 1.63 3h6gA1 LYS 333 HG2 -0.30 -0.11 -0.00 -0.04 1.46 1.01 3h6gA1 LYS 333 HG3 -0.22 0.21 0.04 -0.04 1.46 1.45 3h6gA1 LYS 333 HD2 -0.15 -0.00 -0.01 -0.04 1.69 1.48 3h6gA1 LYS 333 HD3 -0.17 -0.05 -0.02 -0.04 1.68 1.41 3h6gA1 LYS 333 HE2 -0.34 0.04 0.00 -0.04 2.99 2.66 3h6gA1 LYS 333 HE3 -0.28 -0.02 -0.02 -0.04 2.99 2.63 3h6gA1 GLU 334 H 0.05 0.28 -0.60 -0.55 8.60 7.79 3h6gA1 GLU 334 HA 0.13 0.04 0.59 -0.75 4.29 4.30 3h6gA1 GLU 334 HB2 0.05 0.12 0.10 -0.04 2.09 2.32 3h6gA1 GLU 334 HB3 0.05 -0.10 0.08 -0.04 1.99 1.98 3h6gA1 GLU 334 HG2 0.03 -0.09 0.01 -0.04 2.34 2.24 3h6gA1 GLU 334 HG3 0.01 0.11 -0.01 -0.04 2.34 2.41 3h6gA1 ALA 335 H 0.21 0.33 -0.43 -0.55 8.40 7.96 3h6gA1 ALA 335 HA 0.20 0.01 0.24 -0.75 4.34 4.04 3h6gA1 ALA 335 HB3 0.20 0.02 0.04 -0.04 1.41 1.63 3h6gA1 HIS 336 H 0.29 0.25 0.22 -0.55 8.41 8.62 3h6gA1 HIS 336 HA 0.06 0.34 0.88 -0.75 4.63 5.15 3h6gA1 HIS 336 HB2 0.08 -0.02 0.10 -0.04 3.26 3.38 3h6gA1 HIS 336 HB3 0.06 -0.09 0.02 -0.04 3.20 3.14 3h6gA1 HIS 336 HD2 0.01 -0.09 -0.00 -0.04 6.97 6.84 3h6gA1 HIS 336 HE1 0.03 -0.00 -0.01 -0.04 7.75 7.72 3h6gA1 TRP 337 H 0.13 0.40 0.28 -0.55 7.97 8.24 3h6gA1 TRP 337 HA 0.05 0.10 0.65 -0.75 4.62 4.67 3h6gA1 TRP 337 HB2 0.08 0.17 -0.28 -0.04 3.23 3.16 3h6gA1 TRP 337 HB3 0.02 -0.06 -0.11 -0.04 3.23 3.05 3h6gA1 TRP 337 HD1 0.03 -0.09 -0.24 -0.04 7.22 6.87 3h6gA1 TRP 337 HE1 -0.11 -0.13 -0.09 -0.04 10.20 9.84 3h6gA1 TRP 337 HE3 0.08 0.11 0.09 -0.04 7.59 7.83 3h6gA1 TRP 337 HZ2 -0.09 -0.04 -0.02 -0.04 7.44 7.25 3h6gA1 TRP 337 HZ3 0.08 0.02 -0.00 -0.04 7.13 7.18 3h6gA1 TRP 337 HH2 0.11 -0.01 -0.02 -0.04 7.19 7.23 3h6gA1 GLU 338 H -0.90 0.22 0.10 -0.55 8.60 7.47 3h6gA1 GLU 338 HA -0.29 0.20 0.84 -0.75 4.29 4.29 3h6gA1 GLU 338 HB2 -0.56 0.01 0.19 -0.04 2.09 1.68 3h6gA1 GLU 338 HB3 -0.31 0.00 0.01 -0.04 1.99 1.65 3h6gA1 GLU 338 HG2 -0.21 -0.02 -0.07 -0.04 2.34 2.00 3h6gA1 GLU 338 HG3 -0.19 0.02 -0.00 -0.04 2.34 2.12 3h6gA1 GLY 339 H -0.15 0.49 0.08 -0.55 8.43 8.30 3h6gA1 GLY 339 HA2 -0.06 0.26 0.85 -0.51 4.01 4.54 3h6gA1 GLY 339 HA3 0.21 -0.01 0.29 -0.51 4.01 4.00 3h6gA1 LEU 340 H 0.12 0.20 0.12 -0.55 8.37 8.26 3h6gA1 LEU 340 HA -0.05 0.10 0.42 -0.75 4.35 4.06 3h6gA1 LEU 340 HB2 -0.03 0.02 0.06 -0.04 1.64 1.66 3h6gA1 LEU 340 HB3 -0.12 -0.02 0.08 -0.04 1.64 1.53 3h6gA1 LEU 340 HG 0.01 0.02 0.08 -0.04 1.64 1.71 3h6gA1 LEU 340 HD13 -0.54 0.01 0.01 -0.04 0.93 0.37 3h6gA1 LEU 340 HD23 -0.13 0.02 0.01 -0.04 0.89 0.75 3h6gA1 THR 341 H 0.03 0.07 -0.44 -0.55 8.28 7.39 3h6gA1 THR 341 HA -0.02 0.22 0.91 -0.75 4.39 4.74 3h6gA1 THR 341 HB -0.03 0.03 0.09 -0.04 4.32 4.37 3h6gA1 THR 341 HG23 -0.02 -0.04 -0.23 -0.04 1.22 0.89 3h6gA1 GLY 342 H -0.04 0.36 -0.26 -0.55 8.43 7.95 3h6gA1 GLY 342 HA2 -0.05 -0.01 0.32 -0.51 4.01 3.76 3h6gA1 GLY 342 HA3 -0.01 0.14 0.61 -0.51 4.01 4.24 3h6gA1 ARG 343 H -0.03 0.06 0.20 -0.55 8.46 8.14 3h6gA1 ARG 343 HA -0.07 0.06 0.56 -0.75 4.34 4.13 3h6gA1 ARG 343 HB2 -0.03 -0.09 0.15 -0.04 1.90 1.89 3h6gA1 ARG 343 HB3 -0.07 0.10 -0.11 -0.04 1.80 1.68 3h6gA1 ARG 343 HG2 -0.05 0.04 0.02 -0.04 1.67 1.64 3h6gA1 ARG 343 HG3 -0.05 -0.07 0.07 -0.04 1.67 1.58 3h6gA1 ARG 343 HD2 -0.04 0.06 -0.05 -0.04 3.22 3.14 3h6gA1 ARG 343 HD3 -0.04 -0.00 -0.03 -0.04 3.22 3.11 3h6gA1 ILE 344 H -0.04 0.59 0.43 -0.55 8.25 8.68 3h6gA1 ILE 344 HA -0.14 0.15 0.96 -0.75 4.18 4.40 3h6gA1 ILE 344 HB 0.09 -0.04 0.15 -0.04 1.89 2.05 3h6gA1 ILE 344 HG12 0.01 0.05 -0.18 -0.04 1.49 1.34 3h6gA1 ILE 344 HG13 0.06 0.15 -0.14 -0.04 1.21 1.25 3h6gA1 ILE 344 HG23 -0.28 0.00 -0.15 -0.04 0.93 0.46 3h6gA1 ILE 344 HD13 0.29 -0.06 -0.11 -0.04 0.88 0.96 3h6gA1 THR 345 H -0.36 0.26 0.10 -0.55 8.28 7.73 3h6gA1 THR 345 HA -0.50 0.30 0.57 -0.75 4.39 4.01 3h6gA1 THR 345 HB -0.51 0.03 -0.12 -0.04 4.32 3.68 3h6gA1 THR 345 HG23 -0.13 -0.04 -0.06 -0.04 1.22 0.95 3h6gA1 PHE 346 H -0.09 0.39 0.10 -0.55 8.34 8.18 3h6gA1 PHE 346 HA 0.01 0.07 0.74 -0.75 4.62 4.69 3h6gA1 PHE 346 HB2 -0.02 0.26 0.02 -0.04 3.15 3.37 3h6gA1 PHE 346 HB3 -0.02 -0.12 -0.08 -0.04 3.06 2.80 3h6gA1 PHE 346 HD2 0.00 0.12 -0.16 -0.04 7.28 7.20 3h6gA1 PHE 346 HE2 0.01 0.02 -0.27 -0.04 7.38 7.10 3h6gA1 PHE 346 HZ 0.01 -0.07 -0.20 -0.04 7.32 7.02 3h6gA1 ASN 347 H 0.18 0.34 0.16 -0.55 8.53 8.66 3h6gA1 ASN 347 HA 0.06 0.10 0.65 -0.75 4.76 4.82 3h6gA1 ASN 347 HB2 0.10 0.28 0.29 -0.04 2.88 3.50 3h6gA1 ASN 347 HB3 0.06 -0.33 0.20 -0.04 2.79 2.68 3h6gA1 ASN 347 HD21 0.04 0.08 0.03 -0.04 7.03 7.14 3h6gA1 ASN 347 HD22 0.05 -0.08 0.05 -0.04 7.74 7.72 3h6gA1 LYS 348 H 0.04 0.19 0.19 -0.55 8.42 8.29 3h6gA1 LYS 348 HA 0.02 0.17 0.35 -0.75 4.32 4.11 3h6gA1 LYS 348 HB2 0.02 -0.09 0.18 -0.04 1.87 1.94 3h6gA1 LYS 348 HB3 0.00 0.04 -0.01 -0.04 1.79 1.78 3h6gA1 LYS 348 HG2 0.02 0.08 0.05 -0.04 1.46 1.56 3h6gA1 LYS 348 HG3 0.04 0.04 0.08 -0.04 1.46 1.58 3h6gA1 LYS 348 HD2 0.01 -0.04 0.03 -0.04 1.69 1.66 3h6gA1 LYS 348 HD3 0.00 -0.01 0.01 -0.04 1.68 1.64 3h6gA1 LYS 348 HE2 0.01 -0.02 0.01 -0.04 2.99 2.95 3h6gA1 LYS 348 HE3 0.00 -0.01 0.00 -0.04 2.99 2.95 3h6gA1 THR 349 H 0.01 -0.04 -0.21 -0.55 8.28 7.49 3h6gA1 THR 349 HA -0.02 0.12 0.27 -0.75 4.39 4.01 3h6gA1 THR 349 HB 0.01 -0.13 0.10 -0.04 4.32 4.26 3h6gA1 THR 349 HG23 0.00 0.02 -0.11 -0.04 1.22 1.08 3h6gA1 ASN 350 H 0.00 -0.08 -0.01 -0.55 8.53 7.89 3h6gA1 ASN 350 HA -0.08 0.39 1.01 -0.75 4.76 5.33 3h6gA1 ASN 350 HB2 0.00 0.02 0.12 -0.04 2.88 2.98 3h6gA1 ASN 350 HB3 0.00 0.06 -0.04 -0.04 2.79 2.77 3h6gA1 ASN 350 HD21 0.06 -0.04 -0.00 -0.04 7.03 7.01 3h6gA1 ASN 350 HD22 0.04 0.08 -0.02 -0.04 7.74 7.79 3h6gA1 GLY 351 H -0.03 0.51 0.05 -0.55 8.43 8.41 3h6gA1 GLY 351 HA2 -0.08 0.09 0.34 -0.51 4.01 3.85 3h6gA1 GLY 351 HA3 -0.25 0.24 0.52 -0.51 4.01 4.01 3h6gA1 LEU 352 H 0.05 -0.05 -0.24 -0.55 8.37 7.59 3h6gA1 LEU 352 HA 0.14 0.17 0.78 -0.75 4.35 4.69 3h6gA1 LEU 352 HB2 0.12 -0.08 0.01 -0.04 1.64 1.64 3h6gA1 LEU 352 HB3 0.16 -0.03 -0.03 -0.04 1.64 1.70 3h6gA1 LEU 352 HG 0.07 0.12 -0.13 -0.04 1.64 1.65 3h6gA1 LEU 352 HD13 0.12 -0.03 -0.02 -0.04 0.93 0.96 3h6gA1 LEU 352 HD23 0.12 0.02 -0.13 -0.04 0.89 0.86 3h6gA1 ARG 353 H 0.21 0.31 0.12 -0.55 8.46 8.55 3h6gA1 ARG 353 HA 0.14 0.21 0.74 -0.75 4.34 4.67 3h6gA1 ARG 353 HB2 0.17 0.17 0.05 -0.04 1.90 2.25 3h6gA1 ARG 353 HB3 0.09 -0.03 -0.08 -0.04 1.80 1.74 3h6gA1 ARG 353 HG2 0.13 -0.07 -0.19 -0.04 1.67 1.50 3h6gA1 ARG 353 HG3 -0.07 0.12 0.02 -0.04 1.67 1.69 3h6gA1 ARG 353 HD2 -0.03 -0.03 -0.03 -0.04 3.22 3.08 3h6gA1 ARG 353 HD3 -0.09 -0.01 -0.20 -0.04 3.22 2.88 3h6gA1 THR 354 H 0.14 0.28 0.18 -0.55 8.28 8.33 3h6gA1 THR 354 HA 0.30 0.04 0.78 -0.75 4.39 4.76 3h6gA1 THR 354 HB 0.13 -0.03 0.08 -0.04 4.32 4.46 3h6gA1 THR 354 HG23 0.14 0.01 -0.13 -0.04 1.22 1.21 3h6gA1 ASP 355 H 0.11 0.20 0.05 -0.55 8.40 8.21 3h6gA1 ASP 355 HA -0.18 0.13 0.99 -0.75 4.63 4.82 3h6gA1 ASP 355 HB2 -0.05 -0.03 -0.03 -0.04 2.71 2.56 3h6gA1 ASP 355 HB3 -0.03 0.07 0.09 -0.04 2.70 2.79 3h6gA1 PHE 356 H -0.53 0.26 0.20 -0.55 8.34 7.72 3h6gA1 PHE 356 HA -0.04 0.21 0.63 -0.75 4.62 4.66 3h6gA1 PHE 356 HB2 -0.01 0.05 0.11 -0.04 3.15 3.27 3h6gA1 PHE 356 HB3 -0.02 0.13 -0.12 -0.04 3.06 3.01 3h6gA1 PHE 356 HD2 0.05 0.03 -0.58 -0.04 7.28 6.74 3h6gA1 PHE 356 HE2 0.03 -0.03 -0.15 -0.04 7.38 7.20 3h6gA1 PHE 356 HZ -0.01 -0.05 -0.24 -0.04 7.32 6.98 3h6gA1 ASP 357 H 0.19 0.26 0.24 -0.55 8.40 8.54 3h6gA1 ASP 357 HA 0.05 0.28 1.16 -0.75 4.63 5.37 3h6gA1 ASP 357 HB2 0.04 -0.07 0.20 -0.04 2.71 2.83 3h6gA1 ASP 357 HB3 0.03 0.04 0.02 -0.04 2.70 2.74 3h6gA1 LEU 358 H 0.24 0.64 0.35 -0.55 8.37 9.05 3h6gA1 LEU 358 HA 0.17 0.23 1.02 -0.75 4.35 5.02 3h6gA1 LEU 358 HB2 0.35 -0.04 0.06 -0.04 1.64 1.96 3h6gA1 LEU 358 HB3 0.30 0.03 -0.03 -0.04 1.64 1.90 3h6gA1 LEU 358 HG 0.49 0.01 -0.24 -0.04 1.64 1.86 3h6gA1 LEU 358 HD13 -0.35 -0.02 -0.12 -0.04 0.93 0.40 3h6gA1 LEU 358 HD23 0.14 0.01 -0.17 -0.04 0.89 0.83 3h6gA1 ASP 359 H 0.09 0.53 0.31 -0.55 8.40 8.77 3h6gA1 ASP 359 HA 0.06 0.20 0.95 -0.75 4.63 5.08 3h6gA1 ASP 359 HB2 -0.01 0.04 0.16 -0.04 2.71 2.86 3h6gA1 ASP 359 HB3 -0.03 -0.00 0.01 -0.04 2.70 2.64 3h6gA1 VAL 360 H 0.02 0.46 0.04 -0.55 8.24 8.21 3h6gA1 VAL 360 HA -0.10 0.21 1.00 -0.75 4.13 4.49 3h6gA1 VAL 360 HB -0.04 0.02 -0.17 -0.04 2.12 1.89 3h6gA1 VAL 360 HG13 -0.04 -0.01 -0.38 -0.04 0.97 0.50 3h6gA1 VAL 360 HG23 -0.26 0.03 -0.18 -0.04 0.95 0.50 3h6gA1 ILE 361 H -0.11 0.50 0.17 -0.55 8.25 8.26 3h6gA1 ILE 361 HA -0.01 0.28 1.07 -0.75 4.18 4.76 3h6gA1 ILE 361 HB 0.04 0.04 -0.19 -0.04 1.89 1.74 3h6gA1 ILE 361 HG12 -0.00 -0.02 -0.34 -0.04 1.49 1.08 3h6gA1 ILE 361 HG13 0.03 -0.06 -0.21 -0.04 1.21 0.93 3h6gA1 ILE 361 HG23 -0.11 -0.02 -0.42 -0.04 0.93 0.34 3h6gA1 ILE 361 HD13 0.09 -0.01 -0.26 -0.04 0.88 0.65 3h6gA1 SER 362 H 0.04 0.60 0.35 -0.55 8.46 8.91 3h6gA1 SER 362 HA 0.10 0.34 1.06 -0.75 4.49 5.24 3h6gA1 SER 362 HB2 0.10 -0.08 -0.15 -0.04 3.95 3.78 3h6gA1 SER 362 HB3 0.07 0.02 -0.12 -0.04 3.93 3.86 3h6gA1 LEU 363 H 0.08 0.41 0.31 -0.55 8.37 8.62 3h6gA1 LEU 363 HA 0.04 0.06 0.60 -0.75 4.35 4.30 3h6gA1 LEU 363 HB2 0.07 -0.07 0.06 -0.04 1.64 1.65 3h6gA1 LEU 363 HB3 0.05 -0.05 0.19 -0.04 1.64 1.79 3h6gA1 LEU 363 HG 0.01 0.15 -0.29 -0.04 1.64 1.47 3h6gA1 LEU 363 HD13 0.01 -0.03 -0.16 -0.04 0.93 0.72 3h6gA1 LEU 363 HD23 0.07 0.01 -0.28 -0.04 0.89 0.66 3h6gA1 LYS 364 H 0.02 0.55 0.40 -0.55 8.42 8.84 3h6gA1 LYS 364 HA 0.00 0.22 0.84 -0.75 4.32 4.63 3h6gA1 LYS 364 HB2 0.01 -0.08 0.09 -0.04 1.87 1.85 3h6gA1 LYS 364 HB3 0.01 -0.05 0.18 -0.04 1.79 1.89 3h6gA1 LYS 364 HG2 0.03 0.08 -0.08 -0.04 1.46 1.45 3h6gA1 LYS 364 HG3 0.03 -0.02 -0.01 -0.04 1.46 1.42 3h6gA1 LYS 364 HD2 0.02 -0.02 0.02 -0.04 1.69 1.67 3h6gA1 LYS 364 HD3 0.03 0.08 -0.16 -0.04 1.68 1.58 3h6gA1 LYS 364 HE2 0.04 0.00 -0.10 -0.04 2.99 2.89 3h6gA1 LYS 364 HE3 0.03 -0.01 -0.03 -0.04 2.99 2.95 3h6gA1 GLU 365 H -0.01 0.15 0.15 -0.55 8.60 8.35 3h6gA1 GLU 365 HA -0.11 0.35 0.44 -0.75 4.29 4.22 3h6gA1 GLU 365 HB2 0.00 0.04 0.15 -0.04 2.09 2.24 3h6gA1 GLU 365 HB3 -0.00 -0.06 0.08 -0.04 1.99 1.97 3h6gA1 GLU 365 HG2 -0.01 -0.04 -0.09 -0.04 2.34 2.16 3h6gA1 GLU 365 HG3 -0.04 0.08 0.05 -0.04 2.34 2.39 3h6gA1 GLU 366 H -0.02 0.01 -0.35 -0.55 8.60 7.69 3h6gA1 GLU 366 HA -0.03 0.10 0.43 -0.75 4.29 4.03 3h6gA1 GLU 366 HB2 0.01 -0.01 -0.02 -0.04 2.09 2.02 3h6gA1 GLU 366 HB3 0.01 0.01 -0.00 -0.04 1.99 1.96 3h6gA1 GLU 366 HG2 0.01 0.01 -0.01 -0.04 2.34 2.31 3h6gA1 GLU 366 HG3 0.01 0.03 -0.01 -0.04 2.34 2.32 3h6gA1 GLY 367 H -0.04 0.47 -0.31 -0.55 8.43 8.00 3h6gA1 GLY 367 HA2 -0.05 0.01 0.25 -0.51 4.01 3.70 3h6gA1 GLY 367 HA3 -0.02 0.15 0.67 -0.51 4.01 4.30 3h6gA1 LEU 368 H 0.03 0.12 0.10 -0.55 8.37 8.07 3h6gA1 LEU 368 HA 0.08 0.22 0.73 -0.75 4.35 4.63 3h6gA1 LEU 368 HB2 0.22 -0.00 0.09 -0.04 1.64 1.91 3h6gA1 LEU 368 HB3 0.26 -0.04 -0.15 -0.04 1.64 1.67 3h6gA1 LEU 368 HG 0.04 -0.03 -0.11 -0.04 1.64 1.50 3h6gA1 LEU 368 HD13 0.03 -0.01 -0.17 -0.04 0.93 0.74 3h6gA1 LEU 368 HD23 0.08 0.01 -0.36 -0.04 0.89 0.59 3h6gA1 GLU 369 H 0.07 0.58 0.35 -0.55 8.60 9.05 3h6gA1 GLU 369 HA 0.06 0.12 0.84 -0.75 4.29 4.56 3h6gA1 GLU 369 HB2 0.04 0.04 -0.00 -0.04 2.09 2.12 3h6gA1 GLU 369 HB3 0.03 0.02 0.06 -0.04 1.99 2.06 3h6gA1 GLU 369 HG2 0.07 0.14 -0.41 -0.04 2.34 2.10 3h6gA1 GLU 369 HG3 0.04 0.05 -0.52 -0.04 2.34 1.87 3h6gA1 LYS 370 H -0.01 0.12 0.16 -0.55 8.42 8.14 3h6gA1 LYS 370 HA -0.03 0.15 0.64 -0.75 4.32 4.33 3h6gA1 LYS 370 HB2 -0.05 -0.05 0.11 -0.04 1.87 1.84 3h6gA1 LYS 370 HB3 -0.02 0.01 0.18 -0.04 1.79 1.92 3h6gA1 LYS 370 HG2 -0.02 0.01 -0.10 -0.04 1.46 1.31 3h6gA1 LYS 370 HG3 -0.02 0.02 0.20 -0.04 1.46 1.62 3h6gA1 LYS 370 HD2 -0.03 -0.07 0.06 -0.04 1.69 1.61 3h6gA1 LYS 370 HD3 -0.03 -0.01 0.03 -0.04 1.68 1.63 3h6gA1 LYS 370 HE2 -0.01 0.02 -0.02 -0.04 2.99 2.93 3h6gA1 LYS 370 HE3 -0.01 0.04 0.04 -0.04 2.99 3.02 3h6gA1 ILE 371 H -0.02 0.66 0.45 -0.55 8.25 8.79 3h6gA1 ILE 371 HA 0.01 0.23 0.92 -0.75 4.18 4.59 3h6gA1 ILE 371 HB 0.04 -0.01 0.14 -0.04 1.89 2.02 3h6gA1 ILE 371 HG12 0.00 0.05 -0.17 -0.04 1.49 1.33 3h6gA1 ILE 371 HG13 -0.04 -0.05 -0.30 -0.04 1.21 0.78 3h6gA1 ILE 371 HG23 0.04 0.03 -0.19 -0.04 0.93 0.77 3h6gA1 ILE 371 HD13 0.12 -0.00 -0.13 -0.04 0.88 0.83 3h6gA1 GLY 372 H -0.02 0.19 0.31 -0.55 8.43 8.36 3h6gA1 GLY 372 HA2 -0.04 0.15 0.40 -0.51 4.01 4.01 3h6gA1 GLY 372 HA3 -0.07 0.05 0.55 -0.51 4.01 4.03 3h6gA1 THR 373 H -0.02 0.24 0.14 -0.55 8.28 8.10 3h6gA1 THR 373 HA 0.08 0.15 0.83 -0.75 4.39 4.70 3h6gA1 THR 373 HB 0.02 0.03 0.14 -0.04 4.32 4.48 3h6gA1 THR 373 HG23 0.00 -0.02 -0.11 -0.04 1.22 1.05 3h6gA1 TRP 374 H 0.22 0.61 0.34 -0.55 7.97 8.60 3h6gA1 TRP 374 HA -0.05 0.36 0.57 -0.75 4.62 4.75 3h6gA1 TRP 374 HB2 0.10 0.03 -0.16 -0.04 3.23 3.15 3h6gA1 TRP 374 HB3 0.01 -0.08 -0.02 -0.04 3.23 3.10 3h6gA1 TRP 374 HD1 -0.05 -0.00 -0.28 -0.04 7.22 6.86 3h6gA1 TRP 374 HE1 -0.08 0.01 -0.11 -0.04 10.20 9.98 3h6gA1 TRP 374 HE3 -0.22 -0.05 -0.37 -0.04 7.59 6.91 3h6gA1 TRP 374 HZ2 -0.11 0.01 -0.12 -0.04 7.44 7.18 3h6gA1 TRP 374 HZ3 -0.72 -0.02 -0.11 -0.04 7.13 6.24 3h6gA1 TRP 374 HH2 -0.21 -0.03 0.03 -0.04 7.19 6.94 3h6gA1 ASP 375 H -1.01 0.52 0.24 -0.55 8.40 7.60 3h6gA1 ASP 375 HA -0.69 0.25 0.55 -0.75 4.63 3.98 3h6gA1 ASP 375 HB2 -0.36 0.05 0.20 -0.04 2.71 2.55 3h6gA1 ASP 375 HB3 -0.24 0.07 0.09 -0.04 2.70 2.58 3h6gA1 PRO 376 HA -0.97 0.08 0.27 -0.51 4.44 3.32 3h6gA1 PRO 376 HB2 -0.24 0.04 0.06 -0.04 2.28 2.10 3h6gA1 PRO 376 HB3 -0.12 0.03 0.15 -0.04 2.02 2.04 3h6gA1 PRO 376 HG2 -0.28 0.11 0.28 -0.04 2.03 2.10 3h6gA1 PRO 376 HG3 -0.22 0.04 0.17 -0.04 2.03 1.98 3h6gA1 PRO 376 HD2 -0.45 0.09 0.28 -0.04 3.68 3.56 3h6gA1 PRO 376 HD3 -0.67 0.27 0.35 -0.04 3.65 3.55 3h6gA1 ALA 377 H -0.41 0.05 -0.34 -0.55 8.40 7.16 3h6gA1 ALA 377 HA -0.19 0.19 0.64 -0.75 4.34 4.23 3h6gA1 ALA 377 HB3 -0.16 0.00 0.03 -0.04 1.41 1.24 3h6gA1 SER 378 H -0.45 0.26 -0.08 -0.55 8.46 7.65 3h6gA1 SER 378 HA -0.17 0.22 0.88 -0.75 4.49 4.68 3h6gA1 SER 378 HB2 -0.27 0.02 -0.07 -0.04 3.95 3.59 3h6gA1 SER 378 HB3 -0.16 0.04 -0.05 -0.04 3.93 3.73 3h6gA1 GLY 379 H -0.55 0.17 0.03 -0.55 8.43 7.54 3h6gA1 GLY 379 HA2 -0.29 -0.02 0.30 -0.51 4.01 3.49 3h6gA1 GLY 379 HA3 -0.10 0.11 0.65 -0.51 4.01 4.17 3h6gA1 LEU 380 H 0.02 0.12 0.17 -0.55 8.37 8.14 3h6gA1 LEU 380 HA 0.06 0.24 0.78 -0.75 4.35 4.69 3h6gA1 LEU 380 HB2 -0.11 0.03 0.13 -0.04 1.64 1.64 3h6gA1 LEU 380 HB3 -0.19 -0.05 0.08 -0.04 1.64 1.43 3h6gA1 LEU 380 HG 0.23 -0.10 -0.06 -0.04 1.64 1.66 3h6gA1 LEU 380 HD13 -0.24 0.01 -0.14 -0.04 0.93 0.51 3h6gA1 LEU 380 HD23 0.15 0.02 -0.08 -0.04 0.89 0.94 3h6gA1 ASN 381 H -0.05 0.42 0.15 -0.55 8.53 8.51 3h6gA1 ASN 381 HA -0.07 0.23 0.66 -0.75 4.76 4.82 3h6gA1 ASN 381 HB2 -0.05 -0.11 0.14 -0.04 2.88 2.81 3h6gA1 ASN 381 HB3 -0.05 0.01 0.12 -0.04 2.79 2.83 3h6gA1 ASN 381 HD21 -0.09 0.00 -0.08 -0.04 7.03 6.82 3h6gA1 ASN 381 HD22 -0.06 -0.06 -0.05 -0.04 7.74 7.53 3h6gA1 MET 382 H -0.14 0.17 -0.07 -0.55 8.47 7.88 3h6gA1 MET 382 HA -0.12 0.05 0.71 -0.75 4.52 4.41 3h6gA1 MET 382 HB2 -0.14 -0.00 0.06 -0.04 2.15 2.03 3h6gA1 MET 382 HB3 -0.18 0.11 0.05 -0.04 2.03 1.98 3h6gA1 MET 382 HG2 -0.53 -0.07 0.03 -0.04 2.63 2.02 3h6gA1 MET 382 HG3 -1.67 0.08 0.00 -0.04 2.56 0.93 3h6gA1 MET 382 HE3 -0.34 0.06 -0.11 -0.04 2.10 1.67 3h6gA1 THR 383 H -0.03 0.45 0.17 -0.55 8.28 8.32 3h6gA1 THR 383 HA -0.00 0.14 0.79 -0.75 4.39 4.56 3h6gA1 THR 383 HB -0.00 -0.02 0.08 -0.04 4.32 4.34 3h6gA1 THR 383 HG23 -0.02 0.02 -0.09 -0.04 1.22 1.10 3h6gA1 GLU 384 H 0.03 0.27 -0.13 -0.55 8.60 8.23 3h6gA1 GLU 384 HA 0.06 0.13 0.19 -0.75 4.29 3.91 3h6gA1 GLU 384 HB2 0.05 0.01 0.06 -0.04 2.09 2.16 3h6gA1 GLU 384 HB3 0.06 0.02 0.05 -0.04 1.99 2.08 3h6gA1 GLU 384 HG2 0.15 0.03 -0.03 -0.04 2.34 2.46 3h6gA1 GLU 384 HG3 0.11 -0.06 -0.15 -0.04 2.34 2.20