============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 51 rings ring int. center anis. iso. HIS 18 0.900 21.339 -14.271 -39.406 -99.200 -91.000 PHE 30 1.000 13.134 -35.303 -39.774 -99.200 -91.000 PHE 36 1.000 2.120 -32.018 -34.195 -99.200 -91.000 HIS 39 0.900 2.216 -38.414 -29.200 -99.200 -91.000 HIS 45 0.900 -5.771 -36.079 -32.220 -99.200 -91.000 PHE 46 1.000 -6.453 -29.369 -35.216 -99.200 -91.000 TYR 52 0.840 -19.143 -31.460 -15.010 -99.200 -91.000 TYR 54 0.840 -14.930 -34.859 -16.267 -99.200 -91.000 TYR 66 0.840 3.106 -28.017 -25.783 -99.200 -91.000 PHE 70 1.000 8.790 -28.280 -25.132 -99.200 -91.000 HIS 86 0.900 -2.244 -20.217 -13.275 -99.200 -91.000 PHE 93 1.000 2.336 -21.963 -4.044 -99.200 -91.000 TYR 104 0.840 14.552 -20.408 -8.659 -99.200 -91.000 TYR 110 0.840 9.776 -14.721 -13.073 -99.200 -91.000 PHE 127 1.000 7.427 -21.226 -2.014 -99.200 -91.000 TYR 130 0.840 -0.003 -22.796 1.718 -99.200 -91.000 TYR 134 0.840 13.375 -18.339 -2.830 -99.200 -91.000 PHE 147 1.000 28.170 -26.087 -10.093 -99.200 -91.000 HIS 155 0.900 19.454 -27.310 4.457 -99.200 -91.000 TYR 168 0.840 13.668 -7.334 -18.785 -99.200 -91.000 PHE 174 1.000 23.415 -19.954 -15.408 -99.200 -91.000 PHE 184 1.000 27.653 -29.833 -7.002 -99.200 -91.000 PHE 195 1.000 10.281 -25.151 -12.183 -99.200 -91.000 TYR 200 0.840 11.645 -14.466 -22.691 -99.200 -91.000 PHE 203 1.000 10.339 -26.604 -30.366 -99.200 -91.000 HIS 211 0.900 15.022 -33.451 -25.005 -99.200 -91.000 TYR 234 0.840 6.250 -25.290 -21.498 -99.200 -91.000 TYR 241 0.840 8.848 -35.957 -9.545 -99.200 -91.000 TYR 247 0.840 -4.788 -35.524 -8.733 -99.200 -91.000 TYR 263 0.840 -15.439 -22.189 -29.634 -99.200 -91.000 TYR 268 0.840 -2.802 -30.895 -31.275 -99.200 -91.000 PHE 271 1.000 5.240 -28.355 -29.538 -99.200 -91.000 PHE 272 1.000 4.517 -28.655 -38.534 -99.200 -91.000 HIS 276 0.900 10.265 -20.534 -40.195 -99.200 -91.000 PHE 287 1.000 20.227 -6.330 -39.158 -99.200 -91.000 PHE 291 1.000 21.865 -1.625 -38.529 -99.200 -91.000 TRP 302 1.040 28.402 -10.178 -34.021 -99.200 -91.000 TRP6 302 1.020 28.964 -12.010 -35.399 -99.200 -91.000 PHE 315 1.000 19.060 2.255 -27.234 -99.200 -91.000 PHE 323 1.000 16.483 0.905 -31.140 -99.200 -91.000 TYR 329 0.840 6.172 5.396 -37.203 -99.200 -91.000 HIS 336 0.900 -2.779 4.287 -33.651 -99.200 -91.000 PHE 337 1.000 -3.116 2.764 -29.098 -99.200 -91.000 TYR 340 0.840 4.895 10.388 -23.919 -99.200 -91.000 TYR 343 0.840 4.878 4.494 -9.720 -99.200 -91.000 TYR 346 0.840 10.719 -3.299 -11.190 -99.200 -91.000 PHE 356 1.000 -0.718 -9.258 -35.481 -99.200 -91.000 TYR 374 0.840 20.396 7.047 -19.209 -99.200 -91.000 TYR 377 0.840 17.090 -6.689 -21.290 -99.200 -91.000 TYR 384 0.840 16.703 -11.435 -40.240 -99.200 -91.000 HIS 386 0.900 7.941 -6.773 -36.839 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3ht4H1 GLU 9 HA 0.02 0.01 0.20 -0.75 4.29 3.77 3ht4H1 LYS 10 H 0.03 0.18 0.10 -0.55 8.42 8.18 3ht4H1 LYS 10 HA 0.03 0.09 0.33 -0.75 4.32 4.02 3ht4H1 ILE 11 H 0.05 0.06 -0.58 -0.55 8.25 7.24 3ht4H1 ILE 11 HA 0.09 0.16 0.16 -0.75 4.18 3.84 3ht4H1 ILE 11 HB 0.09 0.04 -0.03 -0.04 1.89 1.95 3ht4H1 ILE 11 HG12 0.28 -0.09 -0.05 -0.04 1.49 1.58 3ht4H1 ILE 11 HG13 0.24 0.01 0.03 -0.04 1.21 1.46 3ht4H1 ILE 11 HG23 0.08 0.01 -0.11 -0.04 0.93 0.87 3ht4H1 ILE 11 HD13 0.27 0.03 -0.07 -0.04 0.88 1.07 3ht4H1 ALA 12 H 0.05 0.34 -0.15 -0.55 8.40 8.10 3ht4H1 ALA 12 HA 0.06 0.02 0.57 -0.75 4.34 4.24 3ht4H1 ALA 12 HB3 0.03 0.05 0.07 -0.04 1.41 1.52 3ht4H1 PRO 13 HA 0.02 0.03 0.44 -0.51 4.44 4.43 3ht4H1 PRO 13 HB2 0.03 0.13 -0.03 -0.04 2.28 2.36 3ht4H1 PRO 13 HB3 0.02 -0.01 0.11 -0.04 2.02 2.09 3ht4H1 PRO 13 HG2 0.02 0.06 0.03 -0.04 2.03 2.11 3ht4H1 PRO 13 HG3 0.02 -0.01 0.04 -0.04 2.03 2.04 3ht4H1 PRO 13 HD2 0.04 0.08 -0.41 -0.04 3.68 3.35 3ht4H1 PRO 13 HD3 0.03 0.16 0.10 -0.04 3.65 3.89 3ht4H1 ILE 14 H 0.08 0.03 -1.20 -0.55 8.25 6.62 3ht4H1 ILE 14 HA 0.05 0.20 0.80 -0.75 4.18 4.47 3ht4H1 ILE 14 HB 0.16 0.24 0.07 -0.04 1.89 2.32 3ht4H1 ILE 14 HG12 0.03 -0.01 -0.07 -0.04 1.49 1.40 3ht4H1 ILE 14 HG13 0.04 -0.03 -0.31 -0.04 1.21 0.87 3ht4H1 ILE 14 HG23 0.14 -0.01 -0.14 -0.04 0.93 0.88 3ht4H1 ILE 14 HD13 0.03 -0.00 -0.06 -0.04 0.88 0.80 3ht4H1 VAL 15 H 0.13 0.38 0.24 -0.55 8.24 8.44 3ht4H1 VAL 15 HA 0.06 0.08 0.72 -0.75 4.13 4.23 3ht4H1 VAL 15 HB 0.09 0.00 0.10 -0.04 2.12 2.27 3ht4H1 VAL 15 HG13 0.03 0.11 0.11 -0.04 0.97 1.18 3ht4H1 VAL 15 HG23 0.02 -0.00 -0.09 -0.04 0.95 0.84 3ht4H1 LYS 16 H 0.04 0.61 0.09 -0.55 8.42 8.60 3ht4H1 LYS 16 HA 0.02 0.02 0.51 -0.75 4.32 4.11 3ht4H1 LYS 16 HB2 0.02 0.32 0.13 -0.04 1.87 2.31 3ht4H1 LYS 16 HB3 0.01 0.03 -0.13 -0.04 1.79 1.65 3ht4H1 LYS 16 HG2 0.01 -0.01 -0.01 -0.04 1.46 1.41 3ht4H1 LYS 16 HG3 0.01 -0.04 0.07 -0.04 1.46 1.45 3ht4H1 LYS 16 HD2 0.01 -0.05 0.01 -0.04 1.69 1.63 3ht4H1 LYS 16 HD3 0.02 0.10 -0.06 -0.04 1.68 1.70 3ht4H1 LYS 16 HE2 0.01 0.00 -0.04 -0.04 2.99 2.92 3ht4H1 LYS 16 HE3 0.01 -0.00 -0.03 -0.04 2.99 2.92 3ht4H1 GLU 17 H 0.02 0.13 -1.09 -0.55 8.60 7.12 3ht4H1 GLU 17 HA -0.03 0.07 0.49 -0.75 4.29 4.07 3ht4H1 GLU 17 HB2 -0.01 0.03 0.00 -0.04 2.09 2.08 3ht4H1 GLU 17 HB3 0.00 0.24 0.16 -0.04 1.99 2.35 3ht4H1 GLU 17 HG2 -0.05 -0.02 -0.19 -0.04 2.34 2.04 3ht4H1 GLU 17 HG3 -0.03 -0.07 0.04 -0.04 2.34 2.24 3ht4H1 VAL 18 H -0.02 0.23 0.12 -0.55 8.24 8.02 3ht4H1 VAL 18 HA -0.21 0.09 0.57 -0.75 4.13 3.83 3ht4H1 VAL 18 HB -0.16 -0.02 0.22 -0.04 2.12 2.12 3ht4H1 VAL 18 HG13 -0.55 -0.01 -0.14 -0.04 0.97 0.23 3ht4H1 VAL 18 HG23 0.06 0.09 0.01 -0.04 0.95 1.07 3ht4H1 GLU 19 H 0.01 0.67 -0.02 -0.55 8.60 8.72 3ht4H1 GLU 19 HA -0.04 0.04 0.41 -0.75 4.29 3.94 3ht4H1 GLU 19 HB2 0.01 0.05 -0.01 -0.04 2.09 2.10 3ht4H1 GLU 19 HB3 0.03 -0.05 -0.04 -0.04 1.99 1.89 3ht4H1 GLU 19 HG2 0.26 -0.06 0.00 -0.04 2.34 2.50 3ht4H1 GLU 19 HG3 0.14 0.57 0.13 -0.04 2.34 3.13 3ht4H1 SER 20 H -0.05 0.32 -0.35 -0.55 8.46 7.83 3ht4H1 SER 20 HA -0.05 -0.00 0.42 -0.75 4.49 4.10 3ht4H1 SER 20 HB2 -0.03 0.01 0.13 -0.04 3.95 4.02 3ht4H1 SER 20 HB3 -0.05 0.12 0.13 -0.04 3.93 4.09 3ht4H1 GLN 21 H -0.18 0.29 -0.57 -0.55 8.47 7.46 3ht4H1 GLN 21 HA -0.13 0.05 0.48 -0.75 4.36 4.00 3ht4H1 GLN 21 HB2 -0.21 0.15 0.16 -0.04 2.15 2.21 3ht4H1 GLN 21 HB3 -0.48 0.12 0.14 -0.04 2.02 1.76 3ht4H1 GLN 21 HG2 -0.28 -0.07 0.07 -0.04 2.40 2.08 3ht4H1 GLN 21 HG3 -0.11 -0.02 0.07 -0.04 2.39 2.28 3ht4H1 GLN 21 HE21 0.08 -0.01 0.03 -0.04 6.97 7.03 3ht4H1 GLN 21 HE22 0.20 -0.03 0.03 -0.04 7.69 7.84 3ht4H1 ILE 22 H -0.34 0.43 -0.13 -0.55 8.25 7.67 3ht4H1 ILE 22 HA -0.32 0.10 0.75 -0.75 4.18 3.96 3ht4H1 ILE 22 HB -0.37 -0.06 0.14 -0.04 1.89 1.55 3ht4H1 ILE 22 HG12 -0.32 0.20 0.18 -0.04 1.49 1.51 3ht4H1 ILE 22 HG13 -0.65 -0.05 -0.16 -0.04 1.21 0.31 3ht4H1 ILE 22 HG23 -0.86 0.05 -0.02 -0.04 0.93 0.06 3ht4H1 ILE 22 HD13 -0.15 -0.01 -0.09 -0.04 0.88 0.59 3ht4H1 THR 23 H -0.13 0.34 -0.54 -0.55 8.28 7.40 3ht4H1 THR 23 HA -0.06 0.02 0.38 -0.75 4.39 3.97 3ht4H1 THR 23 HB -0.03 0.07 0.06 -0.04 4.32 4.38 3ht4H1 THR 23 HG23 -0.01 -0.03 0.00 -0.04 1.22 1.15 3ht4H1 GLU 24 H 0.02 0.21 -0.32 -0.55 8.60 7.97 3ht4H1 GLU 24 HA 0.04 0.11 0.44 -0.75 4.29 4.13 3ht4H1 GLU 24 HB2 0.11 0.06 0.07 -0.04 2.09 2.29 3ht4H1 GLU 24 HB3 0.07 0.02 -0.00 -0.04 1.99 2.03 3ht4H1 GLU 24 HG2 0.03 -0.01 -0.01 -0.04 2.34 2.31 3ht4H1 GLU 24 HG3 0.05 0.04 0.02 -0.04 2.34 2.41 3ht4H1 VAL 25 H 0.15 0.16 -0.13 -0.55 8.24 7.87 3ht4H1 VAL 25 HA 0.12 0.13 0.62 -0.75 4.13 4.24 3ht4H1 VAL 25 HB 0.21 0.06 0.13 -0.04 2.12 2.48 3ht4H1 VAL 25 HG13 0.26 -0.00 0.03 -0.04 0.97 1.21 3ht4H1 VAL 25 HG23 0.35 0.01 0.00 -0.04 0.95 1.27 3ht4H1 HIS 26 H 0.15 0.29 -0.36 -0.55 8.41 7.94 3ht4H1 HIS 26 HA 0.02 0.13 0.71 -0.75 4.63 4.73 3ht4H1 HIS 26 HB2 -0.01 0.14 0.19 -0.04 3.26 3.53 3ht4H1 HIS 26 HB3 -0.06 -0.05 0.02 -0.04 3.20 3.06 3ht4H1 HIS 26 HD2 0.09 0.00 -0.09 -0.04 6.97 6.93 3ht4H1 HIS 26 HE1 0.13 -0.04 -0.05 -0.04 7.75 7.76 3ht4H1 LYS 27 H 0.09 0.47 0.07 -0.55 8.42 8.50 3ht4H1 LYS 27 HA 0.01 -0.01 0.44 -0.75 4.32 4.01 3ht4H1 LYS 27 HB2 0.03 0.08 0.00 -0.04 1.87 1.94 3ht4H1 LYS 27 HB3 0.01 -0.03 0.14 -0.04 1.79 1.86 3ht4H1 LYS 27 HG2 0.04 0.47 0.28 -0.04 1.46 2.21 3ht4H1 LYS 27 HG3 0.02 -0.03 0.08 -0.04 1.46 1.48 3ht4H1 LYS 27 HD2 -0.00 -0.02 0.05 -0.04 1.69 1.68 3ht4H1 LYS 27 HD3 0.02 -0.09 0.02 -0.04 1.68 1.58 3ht4H1 LYS 27 HE2 0.01 0.08 0.08 -0.04 2.99 3.12 3ht4H1 LYS 27 HE3 -0.00 -0.02 0.03 -0.04 2.99 2.96 3ht4H1 ARG 28 H 0.08 -0.01 -1.33 -0.55 8.46 6.64 3ht4H1 ARG 28 HA 0.03 0.08 0.65 -0.75 4.34 4.34 3ht4H1 ARG 28 HB2 0.05 0.07 0.12 -0.04 1.90 2.11 3ht4H1 ARG 28 HB3 0.08 0.23 0.04 -0.04 1.80 2.11 3ht4H1 ARG 28 HG2 0.05 0.02 0.04 -0.04 1.67 1.73 3ht4H1 ARG 28 HG3 0.04 -0.00 -0.34 -0.04 1.67 1.33 3ht4H1 ARG 28 HD2 0.02 -0.05 0.06 -0.04 3.22 3.21 3ht4H1 ARG 28 HD3 0.02 -0.00 0.03 -0.04 3.22 3.24 3ht4H1 ALA 29 H 0.05 0.41 0.13 -0.55 8.40 8.45 3ht4H1 ALA 29 HA 0.01 0.07 0.47 -0.75 4.34 4.14 3ht4H1 ALA 29 HB3 -0.00 0.03 0.20 -0.04 1.41 1.60 3ht4H1 ASP 30 H -0.03 0.54 -0.09 -0.55 8.40 8.27 3ht4H1 ASP 30 HA -0.08 0.03 0.58 -0.75 4.63 4.41 3ht4H1 ASP 30 HB2 -0.03 0.05 0.07 -0.04 2.71 2.76 3ht4H1 ASP 30 HB3 -0.05 -0.03 0.03 -0.04 2.70 2.61 3ht4H1 GLU 31 H -0.01 0.35 -0.59 -0.55 8.60 7.80 3ht4H1 GLU 31 HA -0.00 0.00 0.48 -0.75 4.29 4.01 3ht4H1 GLU 31 HB2 0.01 0.41 0.20 -0.04 2.09 2.66 3ht4H1 GLU 31 HB3 0.01 -0.08 0.04 -0.04 1.99 1.91 3ht4H1 GLU 31 HG2 0.01 -0.11 0.07 -0.04 2.34 2.27 3ht4H1 GLU 31 HG3 0.01 0.38 0.19 -0.04 2.34 2.87 3ht4H1 VAL 32 H -0.01 0.30 -0.29 -0.55 8.24 7.69 3ht4H1 VAL 32 HA 0.01 0.06 0.58 -0.75 4.13 4.03 3ht4H1 VAL 32 HB 0.02 -0.09 -0.06 -0.04 2.12 1.95 3ht4H1 VAL 32 HG13 0.01 0.01 0.09 -0.04 0.97 1.04 3ht4H1 VAL 32 HG23 0.01 0.09 -0.12 -0.04 0.95 0.88 3ht4H1 ILE 33 H -0.04 0.44 -0.01 -0.55 8.25 8.09 3ht4H1 ILE 33 HA -0.10 0.12 0.48 -0.75 4.18 3.92 3ht4H1 ILE 33 HB -0.09 0.07 0.26 -0.04 1.89 2.09 3ht4H1 ILE 33 HG12 -0.13 0.27 0.11 -0.04 1.49 1.70 3ht4H1 ILE 33 HG13 -0.10 0.17 0.16 -0.04 1.21 1.39 3ht4H1 ILE 33 HG23 -0.11 -0.03 -0.14 -0.04 0.93 0.62 3ht4H1 ILE 33 HD13 -0.28 -0.05 0.07 -0.04 0.88 0.57 3ht4H1 GLU 34 H -0.04 0.51 -0.02 -0.55 8.60 8.50 3ht4H1 GLU 34 HA -0.05 -0.04 0.26 -0.75 4.29 3.71 3ht4H1 GLU 34 HB2 -0.02 0.06 0.14 -0.04 2.09 2.23 3ht4H1 GLU 34 HB3 0.01 0.09 0.03 -0.04 1.99 2.08 3ht4H1 GLU 34 HG2 -0.01 -0.05 0.05 -0.04 2.34 2.29 3ht4H1 GLU 34 HG3 -0.04 -0.03 0.04 -0.04 2.34 2.27 3ht4H1 SER 35 H 0.01 0.29 -0.59 -0.55 8.46 7.62 3ht4H1 SER 35 HA 0.06 -0.03 0.42 -0.75 4.49 4.18 3ht4H1 SER 35 HB2 0.02 0.23 0.23 -0.04 3.95 4.39 3ht4H1 SER 35 HB3 0.01 0.06 0.21 -0.04 3.93 4.17 3ht4H1 ASN 36 H -0.01 0.80 -0.02 -0.55 8.53 8.76 3ht4H1 ASN 36 HA 0.09 0.03 0.66 -0.75 4.76 4.79 3ht4H1 ASN 36 HB2 -0.10 0.08 0.29 -0.04 2.88 3.11 3ht4H1 ASN 36 HB3 -0.16 -0.13 0.05 -0.04 2.79 2.51 3ht4H1 ASN 36 HD21 0.10 -0.10 -0.38 -0.04 7.03 6.61 3ht4H1 ASN 36 HD22 0.04 -0.02 -0.19 -0.04 7.74 7.53 3ht4H1 GLN 37 H -0.14 1.02 0.16 -0.55 8.47 8.96 3ht4H1 GLN 37 HA -0.37 0.01 0.40 -0.75 4.36 3.65 3ht4H1 GLN 37 HB2 -0.21 -0.05 -0.01 -0.04 2.15 1.83 3ht4H1 GLN 37 HB3 -0.12 0.02 0.05 -0.04 2.02 1.93 3ht4H1 GLN 37 HG2 -0.19 -0.04 -0.05 -0.04 2.40 2.07 3ht4H1 GLN 37 HG3 -0.28 -0.03 -0.23 -0.04 2.39 1.82 3ht4H1 GLN 37 HE21 -1.23 0.29 0.16 -0.04 6.97 6.15 3ht4H1 GLN 37 HE22 -0.91 -0.13 0.15 -0.04 7.69 6.76 3ht4H1 PHE 38 H 0.10 0.68 -0.22 -0.55 8.34 8.35 3ht4H1 PHE 38 HA -0.04 -0.07 0.42 -0.75 4.62 4.18 3ht4H1 PHE 38 HB2 -0.03 0.18 0.16 -0.04 3.15 3.41 3ht4H1 PHE 38 HB3 -0.01 0.11 0.08 -0.04 3.06 3.19 3ht4H1 PHE 38 HD2 0.00 -0.02 0.06 -0.04 7.28 7.28 3ht4H1 PHE 38 HE2 0.01 -0.03 -0.01 -0.04 7.38 7.32 3ht4H1 PHE 38 HZ 0.01 -0.03 -0.01 -0.04 7.32 7.26 3ht4H1 ARG 39 H 0.11 0.39 -0.19 -0.55 8.46 8.22 3ht4H1 ARG 39 HA 0.06 -0.03 0.33 -0.75 4.34 3.94 3ht4H1 ARG 39 HB2 0.06 0.07 0.22 -0.04 1.90 2.21 3ht4H1 ARG 39 HB3 0.15 0.09 0.26 -0.04 1.80 2.25 3ht4H1 ARG 39 HG2 0.20 -0.05 -0.11 -0.04 1.67 1.67 3ht4H1 ARG 39 HG3 0.10 -0.07 0.08 -0.04 1.67 1.75 3ht4H1 ARG 39 HD2 0.09 -0.02 0.08 -0.04 3.22 3.33 3ht4H1 ARG 39 HD3 0.05 0.02 0.09 -0.04 3.22 3.34 3ht4H1 VAL 40 H 0.04 0.59 -0.10 -0.55 8.24 8.22 3ht4H1 VAL 40 HA 0.24 0.00 0.45 -0.75 4.13 4.06 3ht4H1 VAL 40 HB -0.25 0.06 0.20 -0.04 2.12 2.09 3ht4H1 VAL 40 HG13 -0.07 -0.03 -0.16 -0.04 0.97 0.67 3ht4H1 VAL 40 HG23 -0.23 0.08 -0.03 -0.04 0.95 0.73 3ht4H1 LEU 41 H -0.03 0.54 0.10 -0.55 8.37 8.43 3ht4H1 LEU 41 HA 0.18 -0.08 0.42 -0.75 4.35 4.11 3ht4H1 LEU 41 HB2 0.11 0.02 0.16 -0.04 1.64 1.89 3ht4H1 LEU 41 HB3 0.16 0.19 0.20 -0.04 1.64 2.15 3ht4H1 LEU 41 HG 0.15 0.00 -0.17 -0.04 1.64 1.58 3ht4H1 LEU 41 HD13 0.13 -0.04 0.04 -0.04 0.93 1.02 3ht4H1 LEU 41 HD23 -0.07 -0.01 -0.00 -0.04 0.89 0.77 3ht4H1 GLU 42 H 0.24 0.69 -0.37 -0.55 8.60 8.62 3ht4H1 GLU 42 HA 0.19 -0.09 0.29 -0.75 4.29 3.92 3ht4H1 GLU 42 HB2 0.12 0.23 0.11 -0.04 2.09 2.51 3ht4H1 GLU 42 HB3 0.07 -0.07 0.05 -0.04 1.99 2.00 3ht4H1 GLU 42 HG2 0.47 0.03 0.04 -0.04 2.34 2.84 3ht4H1 GLU 42 HG3 -0.17 -0.03 -0.05 -0.04 2.34 2.06 3ht4H1 SER 43 H 0.27 0.80 -0.11 -0.55 8.46 8.88 3ht4H1 SER 43 HA 0.11 0.07 0.82 -0.75 4.49 4.73 3ht4H1 SER 43 HB2 0.27 0.08 0.16 -0.04 3.95 4.41 3ht4H1 SER 43 HB3 0.47 0.06 0.20 -0.04 3.93 4.62 3ht4H1 PHE 44 H 0.70 0.44 0.05 -0.55 8.34 8.97 3ht4H1 PHE 44 HA 0.21 -0.01 0.48 -0.75 4.62 4.55 3ht4H1 PHE 44 HB2 0.18 0.15 0.17 -0.04 3.15 3.61 3ht4H1 PHE 44 HB3 0.09 -0.04 -0.07 -0.04 3.06 3.00 3ht4H1 PHE 44 HD2 0.19 0.05 -0.06 -0.04 7.28 7.42 3ht4H1 PHE 44 HE2 0.45 -0.01 -0.11 -0.04 7.38 7.66 3ht4H1 PHE 44 HZ 0.57 0.09 -0.02 -0.04 7.32 7.93 3ht4H1 GLY 45 H 0.26 0.80 0.05 -0.55 8.43 9.00 3ht4H1 GLY 45 HA2 0.10 -0.02 0.49 -0.51 4.01 4.07 3ht4H1 GLY 45 HA3 0.12 0.06 0.26 -0.51 4.01 3.94 3ht4H1 LYS 46 H 0.10 0.14 -0.87 -0.55 8.42 7.24 3ht4H1 LYS 46 HA -0.01 -0.00 0.23 -0.75 4.32 3.79 3ht4H1 LYS 46 HB2 -0.01 0.28 0.28 -0.04 1.87 2.37 3ht4H1 LYS 46 HB3 -0.20 0.13 0.27 -0.04 1.79 1.95 3ht4H1 LYS 46 HG2 -0.26 -0.04 -0.06 -0.04 1.46 1.06 3ht4H1 LYS 46 HG3 -0.07 -0.07 0.08 -0.04 1.46 1.36 3ht4H1 LYS 46 HD2 -0.03 -0.04 0.03 -0.04 1.69 1.61 3ht4H1 LYS 46 HD3 -0.05 0.06 0.06 -0.04 1.68 1.71 3ht4H1 LYS 46 HE2 -0.02 -0.01 0.01 -0.04 2.99 2.93 3ht4H1 LYS 46 HE3 -0.09 0.01 0.01 -0.04 2.99 2.88 3ht4H1 HIS 47 H 0.06 0.53 0.11 -0.55 8.41 8.57 3ht4H1 HIS 47 HA 0.04 0.11 0.62 -0.75 4.63 4.64 3ht4H1 HIS 47 HB2 -0.02 -0.01 0.09 -0.04 3.26 3.29 3ht4H1 HIS 47 HB3 0.03 -0.09 0.11 -0.04 3.20 3.20 3ht4H1 HIS 47 HD2 0.04 -0.00 0.00 -0.04 6.97 6.96 3ht4H1 HIS 47 HE1 0.05 0.13 -0.29 -0.04 7.75 7.60 3ht4H1 LYS 48 H 0.06 0.34 -0.52 -0.55 8.42 7.75 3ht4H1 LYS 48 HA 0.01 0.05 0.29 -0.75 4.32 3.91 3ht4H1 LYS 48 HB2 0.03 0.04 -0.24 -0.04 1.87 1.66 3ht4H1 LYS 48 HB3 0.00 -0.11 0.12 -0.04 1.79 1.75 3ht4H1 LYS 48 HG2 0.02 0.08 0.04 -0.04 1.46 1.56 3ht4H1 LYS 48 HG3 0.03 0.17 -0.15 -0.04 1.46 1.46 3ht4H1 LYS 48 HD2 0.02 -0.06 -0.02 -0.04 1.69 1.59 3ht4H1 LYS 48 HD3 0.01 -0.08 0.01 -0.04 1.68 1.58 3ht4H1 LYS 48 HE2 0.02 0.14 0.02 -0.04 2.99 3.13 3ht4H1 LYS 48 HE3 0.02 -0.08 0.00 -0.04 2.99 2.89 3ht4H1 ILE 49 H -0.09 0.16 -0.11 -0.55 8.25 7.65 3ht4H1 ILE 49 HA -0.93 0.08 0.52 -0.75 4.18 3.09 3ht4H1 ILE 49 HB -0.87 -0.01 0.02 -0.04 1.89 0.99 3ht4H1 ILE 49 HG12 -0.16 -0.04 -0.22 -0.04 1.49 1.03 3ht4H1 ILE 49 HG13 -0.13 0.00 -0.05 -0.04 1.21 0.98 3ht4H1 ILE 49 HG23 -0.28 0.01 -0.08 -0.04 0.93 0.53 3ht4H1 ILE 49 HD13 0.06 0.03 0.04 -0.04 0.88 0.97 3ht4H1 SER 50 H -0.56 0.08 0.22 -0.55 8.46 7.65 3ht4H1 SER 50 HA -0.21 0.30 0.88 -0.75 4.49 4.71 3ht4H1 SER 50 HB2 -0.11 -0.02 0.16 -0.04 3.95 3.94 3ht4H1 SER 50 HB3 -0.09 0.19 0.03 -0.04 3.93 4.03 3ht4H1 ASP 51 H -0.23 0.24 0.12 -0.55 8.40 7.98 3ht4H1 ASP 51 HA -1.18 0.17 0.52 -0.75 4.63 3.40 3ht4H1 ASP 51 HB2 -0.16 0.03 0.16 -0.04 2.71 2.69 3ht4H1 ASP 51 HB3 -0.21 0.07 0.09 -0.04 2.70 2.62 3ht4H1 SER 52 H -0.18 0.02 -0.52 -0.55 8.46 7.23 3ht4H1 SER 52 HA -0.07 0.20 0.87 -0.75 4.49 4.74 3ht4H1 SER 52 HB2 -0.03 0.04 0.15 -0.04 3.95 4.08 3ht4H1 SER 52 HB3 -0.05 0.01 0.06 -0.04 3.93 3.91 3ht4H1 HIS 53 H -0.16 0.49 -0.10 -0.55 8.41 8.10 3ht4H1 HIS 53 HA -0.05 -0.01 0.58 -0.75 4.63 4.39 3ht4H1 HIS 53 HB2 -0.52 0.39 0.21 -0.04 3.26 3.30 3ht4H1 HIS 53 HB3 -0.31 0.03 0.13 -0.04 3.20 3.01 3ht4H1 HIS 53 HD2 0.02 0.06 0.02 -0.04 6.97 7.03 3ht4H1 HIS 53 HE1 -0.05 0.10 0.04 -0.04 7.75 7.80 3ht4H1 PHE 54 H -0.02 -0.07 -1.12 -0.55 8.34 6.58 3ht4H1 PHE 54 HA 0.09 0.15 0.73 -0.75 4.62 4.83 3ht4H1 PHE 54 HB2 0.04 0.14 -0.11 -0.04 3.15 3.17 3ht4H1 PHE 54 HB3 0.07 -0.08 -0.00 -0.04 3.06 3.00 3ht4H1 PHE 54 HD2 0.02 0.10 -0.43 -0.04 7.28 6.93 3ht4H1 PHE 54 HE2 -0.30 0.03 -0.11 -0.04 7.38 6.96 3ht4H1 PHE 54 HZ -0.03 0.02 -0.11 -0.04 7.32 7.15 3ht4H1 ILE 55 H 0.09 0.15 -0.08 -0.55 8.25 7.87 3ht4H1 ILE 55 HA 0.10 0.04 0.44 -0.75 4.18 4.00 3ht4H1 ILE 55 HB 0.02 -0.04 0.07 -0.04 1.89 1.91 3ht4H1 ILE 55 HG12 0.01 0.23 0.25 -0.04 1.49 1.93 3ht4H1 ILE 55 HG13 0.02 -0.02 0.12 -0.04 1.21 1.28 3ht4H1 ILE 55 HG23 0.03 0.02 -0.03 -0.04 0.93 0.90 3ht4H1 ILE 55 HD13 0.05 -0.05 0.12 -0.04 0.88 0.96 3ht4H1 PRO 56 HA 0.00 0.18 0.69 -0.51 4.44 4.81 3ht4H1 PRO 56 HB2 0.01 -0.02 -0.04 -0.04 2.28 2.19 3ht4H1 PRO 56 HB3 -0.10 -0.07 -0.09 -0.04 2.02 1.72 3ht4H1 PRO 56 HG2 0.23 0.01 0.03 -0.04 2.03 2.27 3ht4H1 PRO 56 HG3 0.23 0.10 -0.04 -0.04 2.03 2.28 3ht4H1 PRO 56 HD2 0.08 0.06 0.23 -0.04 3.68 4.01 3ht4H1 PRO 56 HD3 0.12 0.11 0.21 -0.04 3.65 4.04 3ht4H1 THR 57 H -0.07 0.09 0.32 -0.55 8.28 8.08 3ht4H1 THR 57 HA -0.03 0.24 0.98 -0.75 4.39 4.82 3ht4H1 THR 57 HB -0.03 0.04 0.04 -0.04 4.32 4.32 3ht4H1 THR 57 HG23 -0.01 0.05 -0.18 -0.04 1.22 1.04 3ht4H1 THR 58 H -0.05 0.22 0.18 -0.55 8.28 8.08 3ht4H1 THR 58 HA -0.10 0.22 0.89 -0.75 4.39 4.65 3ht4H1 THR 58 HB -0.08 -0.06 0.14 -0.04 4.32 4.29 3ht4H1 THR 58 HG23 -0.09 0.02 -0.21 -0.04 1.22 0.90 3ht4H1 GLY 59 H -0.11 0.18 0.11 -0.55 8.43 8.07 3ht4H1 GLY 59 HA2 -0.20 0.08 0.36 -0.51 4.01 3.74 3ht4H1 GLY 59 HA3 -0.18 0.02 0.50 -0.51 4.01 3.83 3ht4H1 TYR 60 H -0.11 0.12 0.27 -0.55 8.29 8.02 3ht4H1 TYR 60 HA -0.21 0.16 0.58 -0.75 4.56 4.34 3ht4H1 TYR 60 HB2 -0.19 -0.05 0.16 -0.04 3.06 2.94 3ht4H1 TYR 60 HB3 -0.97 0.05 -0.03 -0.04 2.98 1.99 3ht4H1 TYR 60 HD2 0.00 0.01 0.03 -0.04 7.15 7.16 3ht4H1 TYR 60 HE2 0.04 0.02 -0.01 -0.04 6.85 6.86 3ht4H1 GLY 61 H -0.07 0.19 0.01 -0.55 8.43 8.02 3ht4H1 GLY 61 HA2 -0.07 -0.03 0.11 -0.51 4.01 3.52 3ht4H1 GLY 61 HA3 -0.12 0.15 0.06 -0.51 4.01 3.59 3ht4H1 TYR 62 H -0.03 -0.06 -0.01 -0.55 8.29 7.64 3ht4H1 TYR 62 HA -0.00 0.42 0.85 -0.75 4.56 5.08 3ht4H1 TYR 62 HB2 0.03 -0.07 0.07 -0.04 3.06 3.05 3ht4H1 TYR 62 HB3 -0.01 0.02 0.05 -0.04 2.98 3.00 3ht4H1 TYR 62 HD2 -0.00 0.13 -0.01 -0.04 7.15 7.23 3ht4H1 TYR 62 HE2 -0.33 -0.02 -0.17 -0.04 6.85 6.29 3ht4H1 ASP 63 H 0.12 0.23 0.14 -0.55 8.40 8.34 3ht4H1 ASP 63 HA 0.03 0.04 0.29 -0.75 4.63 4.23 3ht4H1 ASP 63 HB2 0.05 0.23 0.08 -0.04 2.71 3.03 3ht4H1 ASP 63 HB3 0.02 -0.03 0.18 -0.04 2.70 2.83 3ht4H1 ASP 64 H 0.01 0.23 -0.19 -0.55 8.40 7.91 3ht4H1 ASP 64 HA -0.02 0.17 0.85 -0.75 4.63 4.88 3ht4H1 ASP 64 HB2 -0.02 0.09 -0.10 -0.04 2.71 2.64 3ht4H1 ASP 64 HB3 -0.02 0.08 0.14 -0.04 2.70 2.85 3ht4H1 ILE 65 H -0.06 0.32 -0.06 -0.55 8.25 7.91 3ht4H1 ILE 65 HA -0.08 0.08 0.47 -0.75 4.18 3.90 3ht4H1 ILE 65 HB -0.23 -0.06 0.10 -0.04 1.89 1.66 3ht4H1 ILE 65 HG12 -0.06 0.04 0.06 -0.04 1.49 1.49 3ht4H1 ILE 65 HG13 -0.07 0.03 0.05 -0.04 1.21 1.18 3ht4H1 ILE 65 HG23 -0.18 0.02 -0.04 -0.04 0.93 0.69 3ht4H1 ILE 65 HD13 -0.04 0.01 0.00 -0.04 0.88 0.81 3ht4H1 GLY 66 H -0.16 0.12 -0.06 -0.55 8.43 7.78 3ht4H1 GLY 66 HA2 -0.07 0.03 0.46 -0.51 4.01 3.92 3ht4H1 GLY 66 HA3 0.04 0.17 0.30 -0.51 4.01 4.01 3ht4H1 ARG 67 H -0.00 0.03 -0.22 -0.55 8.46 7.72 3ht4H1 ARG 67 HA -0.04 0.03 0.31 -0.75 4.34 3.89 3ht4H1 ARG 67 HB2 -0.03 -0.08 0.12 -0.04 1.90 1.86 3ht4H1 ARG 67 HB3 -0.04 0.08 0.11 -0.04 1.80 1.91 3ht4H1 ARG 67 HG2 -0.09 0.01 -0.17 -0.04 1.67 1.38 3ht4H1 ARG 67 HG3 -0.08 -0.03 0.06 -0.04 1.67 1.58 3ht4H1 ARG 67 HD2 -0.07 0.00 -0.06 -0.04 3.22 3.05 3ht4H1 ARG 67 HD3 -0.05 0.01 -0.04 -0.04 3.22 3.09 3ht4H1 ASP 68 H -0.05 0.45 -0.14 -0.55 8.40 8.12 3ht4H1 ASP 68 HA -0.08 0.03 0.50 -0.75 4.63 4.33 3ht4H1 ASP 68 HB2 -0.05 0.09 0.27 -0.04 2.71 2.98 3ht4H1 ASP 68 HB3 -0.05 -0.06 0.10 -0.04 2.70 2.64 3ht4H1 THR 69 H -0.02 0.71 0.07 -0.55 8.28 8.49 3ht4H1 THR 69 HA -0.15 -0.04 0.11 -0.75 4.39 3.56 3ht4H1 THR 69 HB 0.24 0.09 0.11 -0.04 4.32 4.72 3ht4H1 THR 69 HG23 -0.00 -0.01 -0.03 -0.04 1.22 1.14 3ht4H1 LEU 70 H -0.08 0.43 -0.53 -0.55 8.37 7.64 3ht4H1 LEU 70 HA -0.28 0.01 0.57 -0.75 4.35 3.90 3ht4H1 LEU 70 HB2 -0.81 0.01 0.06 -0.04 1.64 0.86 3ht4H1 LEU 70 HB3 -0.34 0.20 0.09 -0.04 1.64 1.54 3ht4H1 LEU 70 HG -0.53 -0.11 -0.01 -0.04 1.64 0.95 3ht4H1 LEU 70 HD13 -0.86 0.00 0.02 -0.04 0.93 0.05 3ht4H1 LEU 70 HD23 -0.42 0.02 -0.08 -0.04 0.89 0.37 3ht4H1 GLU 71 H -0.20 0.60 0.10 -0.55 8.60 8.55 3ht4H1 GLU 71 HA -0.28 -0.02 0.58 -0.75 4.29 3.82 3ht4H1 GLU 71 HB2 -0.12 0.07 0.23 -0.04 2.09 2.23 3ht4H1 GLU 71 HB3 -0.12 -0.03 -0.25 -0.04 1.99 1.55 3ht4H1 GLU 71 HG2 -0.21 -0.31 0.04 -0.04 2.34 1.82 3ht4H1 GLU 71 HG3 -0.19 0.28 0.24 -0.04 2.34 2.63 3ht4H1 LYS 72 H -0.15 0.42 -0.08 -0.55 8.42 8.05 3ht4H1 LYS 72 HA -0.03 0.02 0.21 -0.75 4.32 3.76 3ht4H1 LYS 72 HB2 -0.51 0.12 0.04 -0.04 1.87 1.48 3ht4H1 LYS 72 HB3 -0.09 0.02 0.02 -0.04 1.79 1.70 3ht4H1 LYS 72 HG2 -0.07 -0.04 0.02 -0.04 1.46 1.33 3ht4H1 LYS 72 HG3 -0.13 0.08 -0.13 -0.04 1.46 1.24 3ht4H1 LYS 72 HD2 0.00 0.02 0.01 -0.04 1.69 1.68 3ht4H1 LYS 72 HD3 -0.04 -0.04 -0.02 -0.04 1.68 1.54 3ht4H1 LYS 72 HE2 -0.36 0.05 -0.01 -0.04 2.99 2.63 3ht4H1 LYS 72 HE3 0.04 0.01 0.00 -0.04 2.99 3.00 3ht4H1 VAL 73 H -0.16 0.42 -0.32 -0.55 8.24 7.63 3ht4H1 VAL 73 HA 0.27 0.06 0.49 -0.75 4.13 4.20 3ht4H1 VAL 73 HB -0.06 0.06 0.17 -0.04 2.12 2.25 3ht4H1 VAL 73 HG13 0.31 -0.01 -0.21 -0.04 0.97 1.02 3ht4H1 VAL 73 HG23 0.06 0.02 -0.05 -0.04 0.95 0.94 3ht4H1 TYR 74 H -0.01 0.53 -0.06 -0.55 8.29 8.19 3ht4H1 TYR 74 HA -0.75 -0.03 0.46 -0.75 4.56 3.48 3ht4H1 TYR 74 HB2 -0.40 0.19 0.24 -0.04 3.06 3.05 3ht4H1 TYR 74 HB3 -0.52 -0.09 -0.10 -0.04 2.98 2.23 3ht4H1 TYR 74 HD2 -0.81 0.04 0.01 -0.04 7.15 6.35 3ht4H1 TYR 74 HE2 -0.55 -0.05 -0.08 -0.04 6.85 6.13 3ht4H1 ALA 75 H -0.02 1.01 -0.23 -0.55 8.40 8.62 3ht4H1 ALA 75 HA 0.04 -0.07 0.15 -0.75 4.34 3.70 3ht4H1 ALA 75 HB3 0.03 0.02 -0.35 -0.04 1.41 1.07 3ht4H1 ASP 76 H 0.13 0.63 -0.15 -0.55 8.40 8.45 3ht4H1 ASP 76 HA 0.12 0.04 0.24 -0.75 4.63 4.27 3ht4H1 ASP 76 HB2 0.29 0.12 0.18 -0.04 2.71 3.26 3ht4H1 ASP 76 HB3 0.23 -0.01 0.21 -0.04 2.70 3.08 3ht4H1 VAL 77 H 0.20 0.67 -0.01 -0.55 8.24 8.56 3ht4H1 VAL 77 HA 0.26 0.08 0.40 -0.75 4.13 4.12 3ht4H1 VAL 77 HB 0.41 0.07 0.07 -0.04 2.12 2.64 3ht4H1 VAL 77 HG13 0.41 -0.03 -0.14 -0.04 0.97 1.17 3ht4H1 VAL 77 HG23 0.31 -0.02 -0.05 -0.04 0.95 1.15 3ht4H1 PHE 78 H 0.22 0.58 -0.28 -0.55 8.34 8.31 3ht4H1 PHE 78 HA -0.11 0.02 0.60 -0.75 4.62 4.37 3ht4H1 PHE 78 HB2 -0.08 0.36 0.03 -0.04 3.15 3.42 3ht4H1 PHE 78 HB3 -0.11 -0.13 0.06 -0.04 3.06 2.83 3ht4H1 PHE 78 HD2 -0.18 -0.02 -0.28 -0.04 7.28 6.76 3ht4H1 PHE 78 HE2 -0.85 -0.03 -0.10 -0.04 7.38 6.36 3ht4H1 PHE 78 HZ -0.34 -0.06 -0.07 -0.04 7.32 6.80 3ht4H1 GLY 79 H 0.02 0.37 -0.53 -0.55 8.43 7.74 3ht4H1 GLY 79 HA2 -0.10 0.08 0.23 -0.51 4.01 3.71 3ht4H1 GLY 79 HA3 -1.06 -0.09 0.16 -0.51 4.01 2.51 3ht4H1 ALA 80 H 0.01 0.55 -0.13 -0.55 8.40 8.29 3ht4H1 ALA 80 HA 0.01 0.22 0.78 -0.75 4.34 4.60 3ht4H1 ALA 80 HB3 0.06 -0.02 -0.08 -0.04 1.41 1.33 3ht4H1 GLU 81 H 0.04 0.14 0.01 -0.55 8.60 8.25 3ht4H1 GLU 81 HA 0.03 0.16 0.62 -0.75 4.29 4.34 3ht4H1 GLU 81 HB2 0.02 -0.11 0.21 -0.04 2.09 2.17 3ht4H1 GLU 81 HB3 0.01 -0.06 0.11 -0.04 1.99 2.01 3ht4H1 GLU 81 HG2 0.02 0.07 0.00 -0.04 2.34 2.40 3ht4H1 GLU 81 HG3 0.03 0.09 -0.01 -0.04 2.34 2.40 3ht4H1 ALA 82 H 0.04 0.44 0.17 -0.55 8.40 8.50 3ht4H1 ALA 82 HA 0.01 0.18 0.73 -0.75 4.34 4.51 3ht4H1 ALA 82 HB3 0.00 -0.01 -0.09 -0.04 1.41 1.28 3ht4H1 GLY 83 H -0.02 0.22 0.09 -0.55 8.43 8.18 3ht4H1 GLY 83 HA2 0.01 0.18 0.97 -0.51 4.01 4.65 3ht4H1 GLY 83 HA3 -0.05 0.10 0.11 -0.51 4.01 3.66 3ht4H1 LEU 84 H -0.00 0.59 0.20 -0.55 8.37 8.61 3ht4H1 LEU 84 HA -0.09 0.12 0.73 -0.75 4.35 4.35 3ht4H1 LEU 84 HB2 -0.03 0.01 -0.11 -0.04 1.64 1.47 3ht4H1 LEU 84 HB3 -0.00 0.01 0.19 -0.04 1.64 1.80 3ht4H1 LEU 84 HG -0.07 -0.03 -0.19 -0.04 1.64 1.32 3ht4H1 LEU 84 HD13 -0.07 0.01 -0.02 -0.04 0.93 0.81 3ht4H1 LEU 84 HD23 -0.03 0.01 -0.19 -0.04 0.89 0.63 3ht4H1 VAL 85 H -0.18 0.29 0.01 -0.55 8.24 7.81 3ht4H1 VAL 85 HA -0.12 0.24 0.86 -0.75 4.13 4.36 3ht4H1 VAL 85 HB -0.41 -0.06 -0.03 -0.04 2.12 1.59 3ht4H1 VAL 85 HG13 -0.76 0.00 -0.16 -0.04 0.97 0.01 3ht4H1 VAL 85 HG23 -0.75 0.00 -0.24 -0.04 0.95 -0.07 3ht4H1 ARG 86 H -0.10 0.46 0.25 -0.55 8.46 8.52 3ht4H1 ARG 86 HA -0.12 0.16 0.67 -0.75 4.34 4.30 3ht4H1 ARG 86 HB2 -0.07 -0.04 0.00 -0.04 1.90 1.75 3ht4H1 ARG 86 HB3 -0.10 0.15 -0.05 -0.04 1.80 1.76 3ht4H1 ARG 86 HG2 -0.10 -0.14 -0.35 -0.04 1.67 1.04 3ht4H1 ARG 86 HG3 -0.07 -0.04 -0.19 -0.04 1.67 1.33 3ht4H1 ARG 86 HD2 -0.07 0.04 -0.12 -0.04 3.22 3.02 3ht4H1 ARG 86 HD3 -0.06 0.04 -0.09 -0.04 3.22 3.07 3ht4H1 PRO 87 HA -0.01 0.11 0.28 -0.51 4.44 4.31 3ht4H1 PRO 87 HB2 -0.02 0.08 -0.03 -0.04 2.28 2.27 3ht4H1 PRO 87 HB3 -0.01 0.02 0.04 -0.04 2.02 2.04 3ht4H1 PRO 87 HG2 -0.04 0.14 0.14 -0.04 2.03 2.23 3ht4H1 PRO 87 HG3 -0.03 0.02 0.10 -0.04 2.03 2.07 3ht4H1 PRO 87 HD2 -0.05 0.18 0.18 -0.04 3.68 3.94 3ht4H1 PRO 87 HD3 -0.07 0.15 0.26 -0.04 3.65 3.95 3ht4H1 GLN 88 H -0.03 0.15 -0.29 -0.55 8.47 7.75 3ht4H1 GLN 88 HA 0.02 0.06 0.37 -0.75 4.36 4.06 3ht4H1 GLN 88 HB2 -0.02 0.01 -0.06 -0.04 2.15 2.04 3ht4H1 GLN 88 HB3 0.01 0.08 0.10 -0.04 2.02 2.18 3ht4H1 GLN 88 HG2 -0.02 0.04 0.01 -0.04 2.40 2.39 3ht4H1 GLN 88 HG3 -0.01 -0.02 0.00 -0.04 2.39 2.32 3ht4H1 GLN 88 HE21 -0.05 0.19 -0.27 -0.04 6.97 6.80 3ht4H1 GLN 88 HE22 -0.04 -0.12 -0.00 -0.04 7.69 7.49 3ht4H1 ILE 89 H -0.01 0.21 -1.00 -0.55 8.25 6.90 3ht4H1 ILE 89 HA -0.09 0.19 0.83 -0.75 4.18 4.35 3ht4H1 ILE 89 HB -0.06 0.11 0.18 -0.04 1.89 2.08 3ht4H1 ILE 89 HG12 -0.28 0.09 -0.19 -0.04 1.49 1.07 3ht4H1 ILE 89 HG13 -0.11 -0.06 -0.37 -0.04 1.21 0.63 3ht4H1 ILE 89 HG23 -0.15 -0.05 -0.30 -0.04 0.93 0.39 3ht4H1 ILE 89 HD13 -0.10 0.00 -0.20 -0.04 0.88 0.54 3ht4H1 ILE 90 H 0.59 0.23 -0.03 -0.55 8.25 8.50 3ht4H1 ILE 90 HA 0.08 0.12 -0.07 -0.75 4.18 3.55 3ht4H1 ILE 90 HB 0.04 0.02 0.07 -0.04 1.89 1.97 3ht4H1 ILE 90 HG12 0.13 -0.11 -0.06 -0.04 1.49 1.41 3ht4H1 ILE 90 HG13 0.04 -0.05 -0.31 -0.04 1.21 0.85 3ht4H1 ILE 90 HG23 0.06 0.04 -0.00 -0.04 0.93 0.98 3ht4H1 ILE 90 HD13 -0.12 0.02 -0.04 -0.04 0.88 0.70 3ht4H1 SER 91 H 0.12 0.18 -0.48 -0.55 8.46 7.73 3ht4H1 SER 91 HA 0.04 0.17 0.57 -0.75 4.49 4.51 3ht4H1 SER 91 HB2 0.04 -0.16 0.11 -0.04 3.95 3.90 3ht4H1 SER 91 HB3 0.04 0.34 0.03 -0.04 3.93 4.30 3ht4H1 GLY 92 H 0.01 0.19 0.13 -0.55 8.43 8.21 3ht4H1 GLY 92 HA2 -0.03 0.17 0.12 -0.51 4.01 3.77 3ht4H1 GLY 92 HA3 -0.01 0.03 0.24 -0.51 4.01 3.76 3ht4H1 THR 93 H 0.07 0.14 -0.08 -0.55 8.28 7.86 3ht4H1 THR 93 HA 0.23 0.07 0.34 -0.75 4.39 4.29 3ht4H1 THR 93 HB 0.11 -0.01 0.00 -0.04 4.32 4.38 3ht4H1 THR 93 HG23 0.13 0.03 -0.14 -0.04 1.22 1.20 3ht4H1 HIS 94 H 0.16 0.01 -0.50 -0.55 8.41 7.54 3ht4H1 HIS 94 HA 0.03 0.10 0.21 -0.75 4.63 4.22 3ht4H1 HIS 94 HB2 0.01 -0.01 -0.02 -0.04 3.26 3.20 3ht4H1 HIS 94 HB3 0.01 -0.10 -0.06 -0.04 3.20 3.02 3ht4H1 HIS 94 HD2 -0.00 -0.02 0.05 -0.04 6.97 6.95 3ht4H1 HIS 94 HE1 -0.01 0.31 0.13 -0.04 7.75 8.13 3ht4H1 ALA 95 H 0.03 0.55 -0.11 -0.55 8.40 8.31 3ht4H1 ALA 95 HA -0.13 0.10 0.57 -0.75 4.34 4.13 3ht4H1 ALA 95 HB3 -0.08 0.02 0.09 -0.04 1.41 1.40 3ht4H1 ILE 96 H 0.09 0.82 -0.08 -0.55 8.25 8.53 3ht4H1 ILE 96 HA 0.19 0.07 0.36 -0.75 4.18 4.04 3ht4H1 ILE 96 HB 0.20 0.02 0.09 -0.04 1.89 2.16 3ht4H1 ILE 96 HG12 0.35 0.03 -0.06 -0.04 1.49 1.77 3ht4H1 ILE 96 HG13 0.14 -0.00 -0.13 -0.04 1.21 1.18 3ht4H1 ILE 96 HG23 0.22 -0.01 -0.17 -0.04 0.93 0.93 3ht4H1 ILE 96 HD13 0.25 -0.08 -0.27 -0.04 0.88 0.74 3ht4H1 SER 97 H 0.12 0.79 0.01 -0.55 8.46 8.83 3ht4H1 SER 97 HA 0.15 -0.01 0.43 -0.75 4.49 4.30 3ht4H1 SER 97 HB2 0.15 -0.07 0.03 -0.04 3.95 4.01 3ht4H1 SER 97 HB3 0.19 0.04 0.05 -0.04 3.93 4.16 3ht4H1 THR 98 H 0.06 0.32 -0.47 -0.55 8.28 7.65 3ht4H1 THR 98 HA 0.10 0.06 0.22 -0.75 4.39 4.01 3ht4H1 THR 98 HB -0.06 0.05 0.11 -0.04 4.32 4.37 3ht4H1 THR 98 HG23 -0.02 -0.02 -0.22 -0.04 1.22 0.92 3ht4H1 ALA 99 H 0.01 0.37 -0.30 -0.55 8.40 7.93 3ht4H1 ALA 99 HA 0.00 0.01 0.35 -0.75 4.34 3.95 3ht4H1 ALA 99 HB3 -0.13 0.03 0.04 -0.04 1.41 1.31 3ht4H1 LEU 100 H -0.12 0.32 -0.25 -0.55 8.37 7.77 3ht4H1 LEU 100 HA -0.24 0.00 0.05 -0.75 4.35 3.40 3ht4H1 LEU 100 HB2 -0.11 0.09 0.09 -0.04 1.64 1.68 3ht4H1 LEU 100 HB3 -0.14 -0.04 -0.07 -0.04 1.64 1.34 3ht4H1 LEU 100 HG -0.32 0.20 0.07 -0.04 1.64 1.55 3ht4H1 LEU 100 HD13 0.01 -0.04 -0.07 -0.04 0.93 0.78 3ht4H1 LEU 100 HD23 -0.30 -0.02 -0.07 -0.04 0.89 0.46 3ht4H1 PHE 101 H 0.18 0.43 -0.06 -0.55 8.34 8.34 3ht4H1 PHE 101 HA -0.17 0.04 0.46 -0.75 4.62 4.19 3ht4H1 PHE 101 HB2 -0.05 0.08 0.00 -0.04 3.15 3.14 3ht4H1 PHE 101 HB3 -0.13 0.00 -0.01 -0.04 3.06 2.88 3ht4H1 PHE 101 HD2 -0.19 0.19 -0.01 -0.04 7.28 7.23 3ht4H1 PHE 101 HE2 -0.03 -0.09 -0.14 -0.04 7.38 7.08 3ht4H1 PHE 101 HZ 0.12 0.05 0.12 -0.04 7.32 7.56 3ht4H1 GLY 102 H 0.05 0.35 -0.52 -0.55 8.43 7.76 3ht4H1 GLY 102 HA2 0.06 -0.03 0.27 -0.51 4.01 3.80 3ht4H1 GLY 102 HA3 0.04 -0.01 0.25 -0.51 4.01 3.77 3ht4H1 ILE 103 H -0.07 0.22 -0.38 -0.55 8.25 7.47 3ht4H1 ILE 103 HA -0.00 0.13 0.87 -0.75 4.18 4.41 3ht4H1 ILE 103 HB -0.12 -0.02 0.05 -0.04 1.89 1.76 3ht4H1 ILE 103 HG12 0.03 0.04 -0.25 -0.04 1.49 1.27 3ht4H1 ILE 103 HG13 -0.04 0.08 -0.14 -0.04 1.21 1.07 3ht4H1 ILE 103 HG23 -0.11 -0.02 -0.13 -0.04 0.93 0.62 3ht4H1 ILE 103 HD13 -0.16 -0.03 -0.07 -0.04 0.88 0.58 3ht4H1 LEU 104 H -0.17 0.35 0.15 -0.55 8.37 8.14 3ht4H1 LEU 104 HA -0.16 -0.06 0.38 -0.75 4.35 3.77 3ht4H1 LEU 104 HB2 -0.44 0.02 -0.03 -0.04 1.64 1.15 3ht4H1 LEU 104 HB3 -0.36 -0.09 -0.02 -0.04 1.64 1.14 3ht4H1 LEU 104 HG -0.26 0.17 0.15 -0.04 1.64 1.66 3ht4H1 LEU 104 HD13 -0.51 -0.05 -0.14 -0.04 0.93 0.19 3ht4H1 LEU 104 HD23 -0.19 -0.02 -0.09 -0.04 0.89 0.55 3ht4H1 ARG 105 H -0.12 0.08 0.20 -0.55 8.46 8.06 3ht4H1 ARG 105 HA -0.06 0.22 0.64 -0.75 4.34 4.39 3ht4H1 ARG 105 HB2 -0.03 -0.06 -0.01 -0.04 1.90 1.75 3ht4H1 ARG 105 HB3 -0.01 0.01 0.13 -0.04 1.80 1.88 3ht4H1 ARG 105 HG2 -0.04 0.26 -0.52 -0.04 1.67 1.33 3ht4H1 ARG 105 HG3 -0.01 -0.10 -0.05 -0.04 1.67 1.46 3ht4H1 ARG 105 HD2 0.00 -0.12 0.05 -0.04 3.22 3.11 3ht4H1 ARG 105 HD3 -0.02 0.21 0.06 -0.04 3.22 3.44 3ht4H1 PRO 106 HA 0.03 0.01 0.27 -0.51 4.44 4.24 3ht4H1 PRO 106 HB2 0.02 -0.06 0.17 -0.04 2.28 2.37 3ht4H1 PRO 106 HB3 0.04 0.21 0.19 -0.04 2.02 2.43 3ht4H1 PRO 106 HG2 0.07 -0.02 0.13 -0.04 2.03 2.16 3ht4H1 PRO 106 HG3 0.15 0.08 0.16 -0.04 2.03 2.38 3ht4H1 PRO 106 HD2 0.03 0.08 0.21 -0.04 3.68 3.96 3ht4H1 PRO 106 HD3 0.06 0.17 0.18 -0.04 3.65 4.02 3ht4H1 GLY 107 H -0.01 0.20 -0.12 -0.55 8.43 7.95 3ht4H1 GLY 107 HA2 -0.00 0.01 0.35 -0.51 4.01 3.86 3ht4H1 GLY 107 HA3 -0.01 0.11 0.70 -0.51 4.01 4.30 3ht4H1 ASP 108 H -0.06 0.55 -0.03 -0.55 8.40 8.31 3ht4H1 ASP 108 HA -0.06 0.19 0.68 -0.75 4.63 4.68 3ht4H1 ASP 108 HB2 -0.13 0.04 0.23 -0.04 2.71 2.81 3ht4H1 ASP 108 HB3 -0.13 -0.00 0.19 -0.04 2.70 2.72 3ht4H1 GLU 109 H -0.10 0.39 0.39 -0.55 8.60 8.73 3ht4H1 GLU 109 HA -0.06 0.16 0.90 -0.75 4.29 4.53 3ht4H1 GLU 109 HB2 -0.14 -0.05 -0.43 -0.04 2.09 1.43 3ht4H1 GLU 109 HB3 -0.12 0.03 -0.25 -0.04 1.99 1.60 3ht4H1 GLU 109 HG2 -0.02 -0.04 -0.13 -0.04 2.34 2.11 3ht4H1 GLU 109 HG3 -0.03 0.09 -0.20 -0.04 2.34 2.16 3ht4H1 LEU 110 H 0.03 0.91 0.32 -0.55 8.37 9.08 3ht4H1 LEU 110 HA -0.07 0.19 0.81 -0.75 4.35 4.53 3ht4H1 LEU 110 HB2 0.07 0.04 0.06 -0.04 1.64 1.77 3ht4H1 LEU 110 HB3 0.39 -0.03 0.19 -0.04 1.64 2.15 3ht4H1 LEU 110 HG 0.07 -0.09 -0.24 -0.04 1.64 1.34 3ht4H1 LEU 110 HD13 -0.14 0.02 -0.06 -0.04 0.93 0.71 3ht4H1 LEU 110 HD23 0.41 -0.02 -0.07 -0.04 0.89 1.16 3ht4H1 LEU 111 H -0.10 0.29 0.04 -0.55 8.37 8.05 3ht4H1 LEU 111 HA -0.15 0.41 1.02 -0.75 4.35 4.88 3ht4H1 LEU 111 HB2 -0.11 -0.01 -0.13 -0.04 1.64 1.36 3ht4H1 LEU 111 HB3 -0.09 0.00 0.13 -0.04 1.64 1.64 3ht4H1 LEU 111 HG -0.04 -0.04 -0.24 -0.04 1.64 1.27 3ht4H1 LEU 111 HD13 -0.07 0.13 -0.09 -0.04 0.93 0.86 3ht4H1 LEU 111 HD23 -0.04 0.03 -0.20 -0.04 0.89 0.64 3ht4H1 TYR 112 H -0.05 0.28 0.09 -0.55 8.29 8.06 3ht4H1 TYR 112 HA 0.01 0.15 0.86 -0.75 4.56 4.82 3ht4H1 TYR 112 HB2 -0.08 -0.01 0.02 -0.04 3.06 2.94 3ht4H1 TYR 112 HB3 0.02 -0.01 -0.11 -0.04 2.98 2.84 3ht4H1 TYR 112 HD2 0.21 -0.01 -0.14 -0.04 7.15 7.18 3ht4H1 TYR 112 HE2 0.14 -0.01 -0.20 -0.04 6.85 6.74 3ht4H1 ILE 113 H 0.16 0.57 0.24 -0.55 8.25 8.66 3ht4H1 ILE 113 HA -0.00 0.10 0.93 -0.75 4.18 4.46 3ht4H1 ILE 113 HB -0.13 -0.07 0.13 -0.04 1.89 1.78 3ht4H1 ILE 113 HG12 -0.02 0.31 0.03 -0.04 1.49 1.76 3ht4H1 ILE 113 HG13 -0.07 -0.07 -0.05 -0.04 1.21 0.98 3ht4H1 ILE 113 HG23 -0.02 0.03 -0.25 -0.04 0.93 0.65 3ht4H1 ILE 113 HD13 -0.05 -0.01 -0.11 -0.04 0.88 0.67 3ht4H1 THR 114 H 0.17 0.12 -0.16 -0.55 8.28 7.86 3ht4H1 THR 114 HA 0.12 0.17 0.77 -0.75 4.39 4.70 3ht4H1 THR 114 HB 0.40 0.13 0.16 -0.04 4.32 4.96 3ht4H1 THR 114 HG23 0.05 -0.01 -0.15 -0.04 1.22 1.07 3ht4H1 GLY 115 H 0.05 0.28 -0.31 -0.55 8.43 7.90 3ht4H1 GLY 115 HA2 0.03 -0.05 0.05 -0.51 4.01 3.53 3ht4H1 GLY 115 HA3 0.04 0.13 0.43 -0.51 4.01 4.10 3ht4H1 LYS 116 H 0.02 0.06 0.03 -0.55 8.42 7.98 3ht4H1 LYS 116 HA -0.01 0.00 0.39 -0.75 4.32 3.95 3ht4H1 LYS 116 HB2 0.01 -0.01 0.10 -0.04 1.87 1.93 3ht4H1 LYS 116 HB3 -0.01 0.07 -0.01 -0.04 1.79 1.80 3ht4H1 LYS 116 HG2 0.05 -0.02 0.02 -0.04 1.46 1.47 3ht4H1 LYS 116 HG3 0.02 -0.03 0.06 -0.04 1.46 1.48 3ht4H1 LYS 116 HD2 0.02 0.00 -0.02 -0.04 1.69 1.65 3ht4H1 LYS 116 HD3 0.04 0.01 -0.00 -0.04 1.68 1.68 3ht4H1 LYS 116 HE2 0.02 0.00 -0.00 -0.04 2.99 2.97 3ht4H1 LYS 116 HE3 0.02 -0.01 0.02 -0.04 2.99 2.97 3ht4H1 PRO 117 HA -0.10 0.19 0.41 -0.51 4.44 4.42 3ht4H1 PRO 117 HB2 -0.41 -0.01 -0.05 -0.04 2.28 1.76 3ht4H1 PRO 117 HB3 -0.44 -0.01 0.07 -0.04 2.02 1.61 3ht4H1 PRO 117 HG2 -0.94 0.01 -0.04 -0.04 2.03 1.01 3ht4H1 PRO 117 HG3 -1.76 0.07 -0.03 -0.04 2.03 0.27 3ht4H1 PRO 117 HD2 -0.12 0.04 0.05 -0.04 3.68 3.61 3ht4H1 PRO 117 HD3 -0.16 0.14 0.13 -0.04 3.65 3.71 3ht4H1 TYR 118 H 0.07 0.08 0.06 -0.55 8.29 7.96 3ht4H1 TYR 118 HA -0.01 0.18 0.36 -0.75 4.56 4.34 3ht4H1 TYR 118 HB2 0.02 -0.00 0.06 -0.04 3.06 3.10 3ht4H1 TYR 118 HB3 0.04 0.11 0.06 -0.04 2.98 3.15 3ht4H1 TYR 118 HD2 0.04 -0.02 -0.08 -0.04 7.15 7.06 3ht4H1 TYR 118 HE2 0.06 0.04 -0.06 -0.04 6.85 6.85 3ht4H1 ASP 119 H 0.13 0.21 0.13 -0.55 8.40 8.33 3ht4H1 ASP 119 HA -0.01 0.12 0.20 -0.75 4.63 4.19 3ht4H1 ASP 119 HB2 0.16 -0.01 0.14 -0.04 2.71 2.95 3ht4H1 ASP 119 HB3 0.07 0.02 -0.01 -0.04 2.70 2.73 3ht4H1 THR 120 H 0.20 0.07 -0.43 -0.55 8.28 7.58 3ht4H1 THR 120 HA -0.01 0.05 0.06 -0.75 4.39 3.73 3ht4H1 THR 120 HB 0.37 0.00 -0.04 -0.04 4.32 4.61 3ht4H1 THR 120 HG23 0.07 0.01 0.04 -0.04 1.22 1.30 3ht4H1 LEU 121 H -0.51 0.65 -0.34 -0.55 8.37 7.63 3ht4H1 LEU 121 HA -0.26 0.10 0.70 -0.75 4.35 4.14 3ht4H1 LEU 121 HB2 -0.46 0.12 -0.10 -0.04 1.64 1.16 3ht4H1 LEU 121 HB3 -0.31 -0.00 -0.02 -0.04 1.64 1.27 3ht4H1 LEU 121 HG -1.18 -0.06 -0.06 -0.04 1.64 0.29 3ht4H1 LEU 121 HD13 -0.07 -0.00 -0.05 -0.04 0.93 0.76 3ht4H1 LEU 121 HD23 -0.11 0.01 -0.10 -0.04 0.89 0.65 3ht4H1 GLU 122 H -0.21 0.65 -0.06 -0.55 8.60 8.43 3ht4H1 GLU 122 HA -0.24 0.03 0.54 -0.75 4.29 3.87 3ht4H1 GLU 122 HB2 -0.10 0.25 0.22 -0.04 2.09 2.42 3ht4H1 GLU 122 HB3 -0.10 -0.15 -0.00 -0.04 1.99 1.69 3ht4H1 GLU 122 HG2 -0.09 -0.04 0.04 -0.04 2.34 2.20 3ht4H1 GLU 122 HG3 -0.09 0.04 0.08 -0.04 2.34 2.33 3ht4H1 GLU 123 H -0.12 0.29 -0.20 -0.55 8.60 8.02 3ht4H1 GLU 123 HA -0.09 -0.12 0.12 -0.75 4.29 3.44 3ht4H1 GLU 123 HB2 -0.06 0.12 0.04 -0.04 2.09 2.15 3ht4H1 GLU 123 HB3 -0.04 0.10 -0.03 -0.04 1.99 1.98 3ht4H1 GLU 123 HG2 -0.04 0.02 0.01 -0.04 2.34 2.28 3ht4H1 GLU 123 HG3 -0.06 -0.14 0.00 -0.04 2.34 2.10 3ht4H1 ILE 124 H -0.18 0.09 -0.59 -0.55 8.25 7.03 3ht4H1 ILE 124 HA 0.00 0.16 0.38 -0.75 4.18 3.97 3ht4H1 ILE 124 HB -0.22 0.02 0.11 -0.04 1.89 1.76 3ht4H1 ILE 124 HG12 0.07 0.06 -0.04 -0.04 1.49 1.53 3ht4H1 ILE 124 HG13 -0.04 -0.00 0.02 -0.04 1.21 1.15 3ht4H1 ILE 124 HG23 0.07 0.02 -0.12 -0.04 0.93 0.85 3ht4H1 ILE 124 HD13 0.02 -0.04 -0.04 -0.04 0.88 0.79 3ht4H1 VAL 125 H -0.52 0.48 -0.01 -0.55 8.24 7.64 3ht4H1 VAL 125 HA -2.02 0.05 0.45 -0.75 4.13 1.86 3ht4H1 VAL 125 HB -0.81 -0.01 -0.00 -0.04 2.12 1.25 3ht4H1 VAL 125 HG13 -1.06 0.05 0.02 -0.04 0.97 -0.06 3ht4H1 VAL 125 HG23 -0.68 0.06 0.03 -0.04 0.95 0.32 3ht4H1 GLY 126 H -0.27 0.38 -0.03 -0.55 8.43 7.96 3ht4H1 GLY 126 HA2 -0.06 0.10 -0.03 -0.51 4.01 3.51 3ht4H1 GLY 126 HA3 -0.03 0.01 0.59 -0.51 4.01 4.08 3ht4H1 VAL 127 H -0.14 0.14 0.08 -0.55 8.24 7.76 3ht4H1 VAL 127 HA -0.03 0.27 0.90 -0.75 4.13 4.51 3ht4H1 VAL 127 HB -0.05 0.03 -0.04 -0.04 2.12 2.02 3ht4H1 VAL 127 HG13 -0.15 -0.02 0.07 -0.04 0.97 0.84 3ht4H1 VAL 127 HG23 -0.02 0.01 -0.11 -0.04 0.95 0.79 3ht4H1 ARG 128 H -0.08 -0.08 -0.13 -0.55 8.46 7.62 3ht4H1 ARG 128 HA -0.04 0.13 0.05 -0.75 4.34 3.73 3ht4H1 ARG 128 HB2 -0.06 -0.04 -0.03 -0.04 1.90 1.72 3ht4H1 ARG 128 HB3 -0.07 -0.15 0.01 -0.04 1.80 1.55 3ht4H1 ARG 128 HG2 -0.05 0.08 -0.39 -0.04 1.67 1.28 3ht4H1 ARG 128 HG3 -0.05 0.02 -0.08 -0.04 1.67 1.51 3ht4H1 ARG 128 HD2 -0.07 0.00 -0.08 -0.04 3.22 3.03 3ht4H1 ARG 128 HD3 -0.06 -0.09 -0.06 -0.04 3.22 2.96 3ht4H1 GLY 129 H -0.04 -0.06 0.01 -0.55 8.43 7.79 3ht4H1 GLY 129 HA2 -0.02 0.11 0.68 -0.51 4.01 4.27 3ht4H1 GLY 129 HA3 -0.03 0.04 0.29 -0.51 4.01 3.80 3ht4H1 LYS 130 H -0.01 0.06 0.04 -0.55 8.42 7.95 3ht4H1 LYS 130 HA -0.00 0.17 0.58 -0.75 4.32 4.32 3ht4H1 LYS 130 HB2 -0.00 -0.02 0.10 -0.04 1.87 1.91 3ht4H1 LYS 130 HB3 -0.00 -0.02 0.08 -0.04 1.79 1.80 3ht4H1 LYS 130 HG2 0.00 0.22 -0.37 -0.04 1.46 1.27 3ht4H1 LYS 130 HG3 -0.00 -0.03 -0.03 -0.04 1.46 1.36 3ht4H1 LYS 130 HD2 -0.01 -0.14 0.04 -0.04 1.69 1.55 3ht4H1 LYS 130 HD3 -0.00 0.08 -0.11 -0.04 1.68 1.61 3ht4H1 LYS 130 HE2 -0.01 -0.02 0.01 -0.04 2.99 2.93 3ht4H1 LYS 130 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.92 3ht4H1 GLY 131 H 0.01 0.10 0.05 -0.55 8.43 8.05 3ht4H1 GLY 131 HA2 0.04 -0.05 0.27 -0.51 4.01 3.76 3ht4H1 GLY 131 HA3 0.02 0.03 0.29 -0.51 4.01 3.84 3ht4H1 VAL 132 H 0.06 -0.06 0.06 -0.55 8.24 7.75 3ht4H1 VAL 132 HA 0.02 0.14 0.62 -0.75 4.13 4.16 3ht4H1 VAL 132 HB 0.00 -0.02 0.13 -0.04 2.12 2.19 3ht4H1 VAL 132 HG13 -0.00 0.12 -0.22 -0.04 0.97 0.83 3ht4H1 VAL 132 HG23 0.01 -0.01 -0.07 -0.04 0.95 0.84 3ht4H1 GLY 133 H 0.09 0.13 0.01 -0.55 8.43 8.12 3ht4H1 GLY 133 HA2 0.32 0.07 0.30 -0.51 4.01 4.18 3ht4H1 GLY 133 HA3 0.08 0.11 0.60 -0.51 4.01 4.29 3ht4H1 SER 134 H 0.18 -0.31 -0.18 -0.55 8.46 7.61 3ht4H1 SER 134 HA 0.39 0.37 0.81 -0.75 4.49 5.31 3ht4H1 SER 134 HB2 -0.01 0.16 -0.41 -0.04 3.95 3.65 3ht4H1 SER 134 HB3 0.06 0.07 -0.04 -0.04 3.93 3.99 3ht4H1 PHE 135 H 0.17 0.42 0.15 -0.55 8.34 8.53 3ht4H1 PHE 135 HA 0.08 0.01 0.22 -0.75 4.62 4.18 3ht4H1 PHE 135 HB2 0.00 0.50 0.31 -0.04 3.15 3.92 3ht4H1 PHE 135 HB3 0.01 0.24 0.01 -0.04 3.06 3.29 3ht4H1 PHE 135 HD2 -0.12 -0.01 -0.20 -0.04 7.28 6.91 3ht4H1 PHE 135 HE2 -0.53 -0.01 -0.12 -0.04 7.38 6.67 3ht4H1 PHE 135 HZ -0.28 -0.04 -0.12 -0.04 7.32 6.84 3ht4H1 LYS 136 H 0.19 0.24 -0.13 -0.55 8.42 8.17 3ht4H1 LYS 136 HA 0.12 0.07 0.27 -0.75 4.32 4.03 3ht4H1 LYS 136 HB2 0.08 -0.10 0.05 -0.04 1.87 1.86 3ht4H1 LYS 136 HB3 0.06 -0.02 0.01 -0.04 1.79 1.80 3ht4H1 LYS 136 HG2 0.08 0.00 0.10 -0.04 1.46 1.61 3ht4H1 LYS 136 HG3 0.05 0.13 0.17 -0.04 1.46 1.77 3ht4H1 LYS 136 HD2 0.03 0.09 0.06 -0.04 1.69 1.83 3ht4H1 LYS 136 HD3 0.03 -0.08 0.04 -0.04 1.68 1.63 3ht4H1 LYS 136 HE2 0.04 -0.04 0.03 -0.04 2.99 2.98 3ht4H1 LYS 136 HE3 0.05 0.01 0.04 -0.04 2.99 3.05 3ht4H1 GLU 137 H 0.20 0.36 -0.43 -0.55 8.60 8.18 3ht4H1 GLU 137 HA -0.04 0.06 0.40 -0.75 4.29 3.95 3ht4H1 GLU 137 HB2 0.09 0.06 0.07 -0.04 2.09 2.27 3ht4H1 GLU 137 HB3 -0.25 0.02 0.17 -0.04 1.99 1.90 3ht4H1 GLU 137 HG2 -0.04 0.05 0.01 -0.04 2.34 2.32 3ht4H1 GLU 137 HG3 0.03 -0.09 -0.03 -0.04 2.34 2.21 3ht4H1 TYR 138 H 0.22 0.75 -0.25 -0.55 8.29 8.45 3ht4H1 TYR 138 HA 0.03 0.13 0.77 -0.75 4.56 4.74 3ht4H1 TYR 138 HB2 0.04 0.01 0.03 -0.04 3.06 3.10 3ht4H1 TYR 138 HB3 0.01 -0.04 0.05 -0.04 2.98 2.96 3ht4H1 TYR 138 HD2 0.12 0.07 -0.18 -0.04 7.15 7.13 3ht4H1 TYR 138 HE2 0.09 -0.10 -0.09 -0.04 6.85 6.71 3ht4H1 ASN 139 H 0.11 0.30 0.01 -0.55 8.53 8.40 3ht4H1 ASN 139 HA 0.06 0.06 0.30 -0.75 4.76 4.42 3ht4H1 ASN 139 HB2 0.03 0.04 0.38 -0.04 2.88 3.29 3ht4H1 ASN 139 HB3 0.03 -0.05 0.21 -0.04 2.79 2.94 3ht4H1 ASN 139 HD21 0.00 -0.05 -0.06 -0.04 7.03 6.87 3ht4H1 ASN 139 HD22 0.01 -0.03 0.01 -0.04 7.74 7.70 3ht4H1 ILE 140 H 0.07 0.07 -0.25 -0.55 8.25 7.60 3ht4H1 ILE 140 HA -0.09 0.15 0.58 -0.75 4.18 4.06 3ht4H1 ILE 140 HB -0.38 -0.11 0.01 -0.04 1.89 1.36 3ht4H1 ILE 140 HG12 -0.21 0.17 -0.36 -0.04 1.49 1.05 3ht4H1 ILE 140 HG13 -0.03 -0.11 -0.22 -0.04 1.21 0.81 3ht4H1 ILE 140 HG23 -0.76 0.02 -0.22 -0.04 0.93 -0.07 3ht4H1 ILE 140 HD13 -0.46 0.02 -0.22 -0.04 0.88 0.18 3ht4H1 GLY 141 H -0.04 0.76 0.32 -0.55 8.43 8.92 3ht4H1 GLY 141 HA2 0.13 0.08 0.60 -0.51 4.01 4.31 3ht4H1 GLY 141 HA3 0.06 0.06 0.32 -0.51 4.01 3.93 3ht4H1 TYR 142 H 0.22 0.22 0.21 -0.55 8.29 8.38 3ht4H1 TYR 142 HA 0.13 0.25 1.06 -0.75 4.56 5.25 3ht4H1 TYR 142 HB2 0.20 0.03 -0.11 -0.04 3.06 3.14 3ht4H1 TYR 142 HB3 0.07 -0.01 0.02 -0.04 2.98 3.02 3ht4H1 TYR 142 HD2 0.09 0.03 -0.12 -0.04 7.15 7.11 3ht4H1 TYR 142 HE2 0.16 -0.02 -0.11 -0.04 6.85 6.84 3ht4H1 ASN 143 H -0.66 0.37 0.21 -0.55 8.53 7.90 3ht4H1 ASN 143 HA -0.27 -0.01 0.49 -0.75 4.76 4.22 3ht4H1 ASN 143 HB2 -0.07 -0.00 -0.34 -0.04 2.88 2.42 3ht4H1 ASN 143 HB3 -0.10 0.02 -0.05 -0.04 2.79 2.62 3ht4H1 ASN 143 HD21 0.03 -0.06 0.05 -0.04 7.03 7.00 3ht4H1 ASN 143 HD22 0.03 0.04 0.01 -0.04 7.74 7.77 3ht4H1 ALA 144 H -0.16 0.16 0.11 -0.55 8.40 7.96 3ht4H1 ALA 144 HA -0.06 0.22 0.87 -0.75 4.34 4.61 3ht4H1 ALA 144 HB3 0.00 -0.02 -0.20 -0.04 1.41 1.15 3ht4H1 VAL 145 H 0.01 0.83 0.18 -0.55 8.24 8.71 3ht4H1 VAL 145 HA -0.01 0.20 0.74 -0.75 4.13 4.31 3ht4H1 VAL 145 HB -0.03 -0.14 0.18 -0.04 2.12 2.09 3ht4H1 VAL 145 HG13 -0.02 0.01 -0.26 -0.04 0.97 0.66 3ht4H1 VAL 145 HG23 -0.01 0.10 -0.09 -0.04 0.95 0.91 3ht4H1 PRO 146 HA 0.02 -0.16 0.26 -0.51 4.44 4.05 3ht4H1 PRO 146 HB2 0.01 0.07 0.01 -0.04 2.28 2.33 3ht4H1 PRO 146 HB3 0.01 -0.00 0.08 -0.04 2.02 2.07 3ht4H1 PRO 146 HG2 0.01 0.02 0.06 -0.04 2.03 2.09 3ht4H1 PRO 146 HG3 0.01 0.00 0.06 -0.04 2.03 2.06 3ht4H1 PRO 146 HD2 0.00 0.05 0.11 -0.04 3.68 3.81 3ht4H1 PRO 146 HD3 0.00 0.61 0.37 -0.04 3.65 4.59 3ht4H1 LEU 147 H 0.03 0.02 0.08 -0.55 8.37 7.95 3ht4H1 LEU 147 HA -0.00 -0.11 0.50 -0.75 4.35 3.99 3ht4H1 LEU 147 HB2 0.05 -0.02 -0.01 -0.04 1.64 1.61 3ht4H1 LEU 147 HB3 0.07 0.08 -0.09 -0.04 1.64 1.66 3ht4H1 LEU 147 HG 0.11 -0.15 -0.36 -0.04 1.64 1.20 3ht4H1 LEU 147 HD13 0.19 0.07 -0.11 -0.04 0.93 1.04 3ht4H1 LEU 147 HD23 0.13 -0.02 -0.29 -0.04 0.89 0.67 3ht4H1 THR 148 H 0.01 0.48 0.21 -0.55 8.28 8.43 3ht4H1 THR 148 HA 0.01 0.08 0.56 -0.75 4.39 4.29 3ht4H1 THR 148 HB 0.03 -0.25 0.02 -0.04 4.32 4.07 3ht4H1 THR 148 HG23 0.02 -0.00 0.11 -0.04 1.22 1.31 3ht4H1 GLU 149 H 0.01 0.14 0.14 -0.55 8.60 8.34 3ht4H1 GLU 149 HA 0.01 0.19 0.65 -0.75 4.29 4.38 3ht4H1 GLU 149 HB2 0.01 -0.05 0.09 -0.04 2.09 2.10 3ht4H1 GLU 149 HB3 0.00 0.05 0.07 -0.04 1.99 2.07 3ht4H1 GLU 149 HG2 0.00 0.02 0.04 -0.04 2.34 2.36 3ht4H1 GLU 149 HG3 0.01 0.06 0.05 -0.04 2.34 2.41 3ht4H1 GLY 150 H 0.02 -0.06 -0.21 -0.55 8.43 7.64 3ht4H1 GLY 150 HA2 0.00 0.19 0.42 -0.51 4.01 4.12 3ht4H1 GLY 150 HA3 0.01 -0.03 0.25 -0.51 4.01 3.74 3ht4H1 GLY 151 H 0.03 0.14 -0.48 -0.55 8.43 7.57 3ht4H1 GLY 151 HA2 0.02 0.07 0.17 -0.51 4.01 3.76 3ht4H1 GLY 151 HA3 0.00 0.18 0.33 -0.51 4.01 4.01 3ht4H1 LEU 152 H 0.07 0.00 -0.39 -0.55 8.37 7.50 3ht4H1 LEU 152 HA 0.27 0.23 0.78 -0.75 4.35 4.88 3ht4H1 LEU 152 HB2 0.11 0.07 0.05 -0.04 1.64 1.82 3ht4H1 LEU 152 HB3 0.07 -0.09 -0.01 -0.04 1.64 1.57 3ht4H1 LEU 152 HG 0.05 0.14 0.00 -0.04 1.64 1.79 3ht4H1 LEU 152 HD13 0.13 0.02 0.11 -0.04 0.93 1.16 3ht4H1 LEU 152 HD23 0.14 -0.01 0.01 -0.04 0.89 0.99 3ht4H1 VAL 153 H -0.10 0.17 0.14 -0.55 8.24 7.90 3ht4H1 VAL 153 HA -0.11 0.06 0.46 -0.75 4.13 3.78 3ht4H1 VAL 153 HB -0.38 0.20 0.15 -0.04 2.12 2.06 3ht4H1 VAL 153 HG13 -0.64 -0.02 0.12 -0.04 0.97 0.39 3ht4H1 VAL 153 HG23 -0.64 -0.03 -0.23 -0.04 0.95 0.02 3ht4H1 ASP 154 H -0.12 0.30 0.10 -0.55 8.40 8.14 3ht4H1 ASP 154 HA -0.04 -0.02 0.34 -0.75 4.63 4.16 3ht4H1 ASP 154 HB2 -0.02 0.08 -0.02 -0.04 2.71 2.71 3ht4H1 ASP 154 HB3 -0.04 0.13 0.11 -0.04 2.70 2.86 3ht4H1 PHE 155 H 0.08 0.18 0.28 -0.55 8.34 8.33 3ht4H1 PHE 155 HA -0.11 0.12 0.04 -0.75 4.62 3.92 3ht4H1 PHE 155 HB2 -0.19 -0.04 0.17 -0.04 3.15 3.05 3ht4H1 PHE 155 HB3 -0.43 0.02 -0.02 -0.04 3.06 2.60 3ht4H1 PHE 155 HD2 -0.79 -0.03 0.06 -0.04 7.28 6.48 3ht4H1 PHE 155 HE2 -0.24 -0.01 0.01 -0.04 7.38 7.09 3ht4H1 PHE 155 HZ -0.20 0.02 0.02 -0.04 7.32 7.12 3ht4H1 GLU 156 H 0.11 0.06 -0.02 -0.55 8.60 8.21 3ht4H1 GLU 156 HA 0.15 0.11 0.56 -0.75 4.29 4.35 3ht4H1 GLU 156 HB2 0.06 -0.06 0.06 -0.04 2.09 2.11 3ht4H1 GLU 156 HB3 0.07 0.07 0.01 -0.04 1.99 2.09 3ht4H1 GLU 156 HG2 0.05 0.05 0.03 -0.04 2.34 2.43 3ht4H1 GLU 156 HG3 0.08 0.02 0.06 -0.04 2.34 2.46 3ht4H1 ALA 157 H 0.05 0.05 -0.29 -0.55 8.40 7.66 3ht4H1 ALA 157 HA 0.04 0.03 0.11 -0.75 4.34 3.76 3ht4H1 ALA 157 HB3 0.01 0.04 0.00 -0.04 1.41 1.42 3ht4H1 VAL 158 H 0.06 0.32 -0.34 -0.55 8.24 7.73 3ht4H1 VAL 158 HA 0.05 0.06 0.44 -0.75 4.13 3.92 3ht4H1 VAL 158 HB 0.16 0.03 0.07 -0.04 2.12 2.34 3ht4H1 VAL 158 HG13 0.26 0.00 -0.23 -0.04 0.97 0.96 3ht4H1 VAL 158 HG23 -0.10 0.02 -0.09 -0.04 0.95 0.74 3ht4H1 ALA 159 H 0.30 0.55 0.00 -0.55 8.40 8.70 3ht4H1 ALA 159 HA 0.04 0.02 0.34 -0.75 4.34 3.99 3ht4H1 ALA 159 HB3 0.19 0.00 0.14 -0.04 1.41 1.70 3ht4H1 ALA 160 H 0.09 0.49 -0.21 -0.55 8.40 8.22 3ht4H1 ALA 160 HA 0.04 0.07 0.43 -0.75 4.34 4.12 3ht4H1 ALA 160 HB3 0.04 -0.03 0.02 -0.04 1.41 1.40 3ht4H1 ALA 161 H 0.07 0.47 -0.77 -0.55 8.40 7.62 3ht4H1 ALA 161 HA 0.11 0.07 0.73 -0.75 4.34 4.50 3ht4H1 ALA 161 HB3 0.04 0.02 0.05 -0.04 1.41 1.48 3ht4H1 ILE 162 H 0.06 0.30 -0.04 -0.55 8.25 8.02 3ht4H1 ILE 162 HA -0.08 0.05 0.74 -0.75 4.18 4.13 3ht4H1 ILE 162 HB -0.01 0.06 0.16 -0.04 1.89 2.06 3ht4H1 ILE 162 HG12 -0.04 -0.00 -0.05 -0.04 1.49 1.36 3ht4H1 ILE 162 HG13 0.01 0.11 -0.06 -0.04 1.21 1.23 3ht4H1 ILE 162 HG23 -0.05 -0.01 -0.15 -0.04 0.93 0.68 3ht4H1 ILE 162 HD13 -0.03 -0.01 -0.04 -0.04 0.88 0.75 3ht4H1 HIS 163 H -0.39 0.15 0.16 -0.55 8.41 7.78 3ht4H1 HIS 163 HA -0.02 0.22 0.48 -0.75 4.63 4.56 3ht4H1 HIS 163 HB2 -0.01 -0.27 0.17 -0.04 3.26 3.11 3ht4H1 HIS 163 HB3 -0.01 0.15 0.01 -0.04 3.20 3.30 3ht4H1 HIS 163 HD2 -0.01 -0.08 -0.06 -0.04 6.97 6.77 3ht4H1 HIS 163 HE1 -0.01 0.07 -0.04 -0.04 7.75 7.73 3ht4H1 SER 164 H 0.14 0.15 0.12 -0.55 8.46 8.32 3ht4H1 SER 164 HA 0.00 0.10 0.13 -0.75 4.49 3.98 3ht4H1 SER 164 HB2 0.01 0.05 0.01 -0.04 3.95 3.98 3ht4H1 SER 164 HB3 0.03 0.00 0.11 -0.04 3.93 4.04 3ht4H1 ASN 165 H 0.01 0.00 -0.24 -0.55 8.53 7.75 3ht4H1 ASN 165 HA -0.04 0.12 0.40 -0.75 4.76 4.49 3ht4H1 ASN 165 HB2 -0.03 -0.08 -0.00 -0.04 2.88 2.73 3ht4H1 ASN 165 HB3 -0.05 0.04 0.00 -0.04 2.79 2.74 3ht4H1 ASN 165 HD21 0.04 -0.02 0.01 -0.04 7.03 7.02 3ht4H1 ASN 165 HD22 0.11 -0.07 0.00 -0.04 7.74 7.74 3ht4H1 THR 166 H -0.18 0.55 -0.30 -0.55 8.28 7.79 3ht4H1 THR 166 HA -0.16 -0.03 0.37 -0.75 4.39 3.81 3ht4H1 THR 166 HB -0.13 0.07 0.22 -0.04 4.32 4.45 3ht4H1 THR 166 HG23 -0.12 -0.00 -0.06 -0.04 1.22 0.99 3ht4H1 LYS 167 H -0.10 0.19 0.48 -0.55 8.42 8.43 3ht4H1 LYS 167 HA -0.07 0.13 0.34 -0.75 4.32 3.97 3ht4H1 LYS 167 HB2 -0.08 0.03 0.11 -0.04 1.87 1.89 3ht4H1 LYS 167 HB3 -0.11 -0.00 0.20 -0.04 1.79 1.84 3ht4H1 LYS 167 HG2 -0.10 -0.02 0.04 -0.04 1.46 1.34 3ht4H1 LYS 167 HG3 -0.06 0.01 0.03 -0.04 1.46 1.40 3ht4H1 LYS 167 HD2 -0.05 -0.02 0.00 -0.04 1.69 1.57 3ht4H1 LYS 167 HD3 -0.08 -0.02 -0.07 -0.04 1.68 1.46 3ht4H1 LYS 167 HE2 -0.02 0.06 -0.03 -0.04 2.99 2.96 3ht4H1 LYS 167 HE3 -0.04 -0.02 -0.05 -0.04 2.99 2.84 3ht4H1 ILE 169 HA -0.10 -0.05 0.36 -0.75 4.18 3.64 3ht4H1 ILE 169 HB -0.03 -0.04 0.00 -0.04 1.89 1.77 3ht4H1 ILE 169 HG12 -0.06 -0.01 -0.13 -0.04 1.49 1.25 3ht4H1 ILE 169 HG13 -0.03 0.01 -0.10 -0.04 1.21 1.05 3ht4H1 ILE 169 HG23 -0.03 0.01 -0.22 -0.04 0.93 0.65 3ht4H1 ILE 169 HD13 -0.04 -0.02 -0.02 -0.04 0.88 0.76 3ht4H1 GLY 170 H -0.22 0.51 0.05 -0.55 8.43 8.23 3ht4H1 GLY 170 HA2 -0.21 0.24 0.67 -0.51 4.01 4.20 3ht4H1 GLY 170 HA3 -1.20 -0.15 0.27 -0.51 4.01 2.42 3ht4H1 ILE 171 H -0.01 0.67 0.40 -0.55 8.25 8.76 3ht4H1 ILE 171 HA 0.12 0.05 0.77 -0.75 4.18 4.36 3ht4H1 ILE 171 HB -0.02 -0.00 0.10 -0.04 1.89 1.92 3ht4H1 ILE 171 HG12 -0.04 -0.00 -0.15 -0.04 1.49 1.26 3ht4H1 ILE 171 HG13 -0.03 0.00 -0.67 -0.04 1.21 0.47 3ht4H1 ILE 171 HG23 -0.00 -0.01 -0.22 -0.04 0.93 0.66 3ht4H1 ILE 171 HD13 -0.02 0.02 -0.16 -0.04 0.88 0.68 3ht4H1 GLN 172 H 0.29 0.21 0.00 -0.55 8.47 8.43 3ht4H1 GLN 172 HA 0.24 0.07 1.01 -0.75 4.36 4.93 3ht4H1 GLN 172 HB2 0.33 -0.09 0.01 -0.04 2.15 2.36 3ht4H1 GLN 172 HB3 0.23 0.12 0.13 -0.04 2.02 2.46 3ht4H1 GLN 172 HG2 0.18 0.45 -0.06 -0.04 2.40 2.92 3ht4H1 GLN 172 HG3 0.22 -0.09 0.02 -0.04 2.39 2.50 3ht4H1 GLN 172 HE21 0.28 -0.29 0.00 -0.04 6.97 6.92 3ht4H1 GLN 172 HE22 0.16 0.27 -0.09 -0.04 7.69 7.99 3ht4H1 ARG 173 H 0.12 0.37 0.17 -0.55 8.46 8.57 3ht4H1 ARG 173 HA 0.19 0.04 0.30 -0.75 4.34 4.12 3ht4H1 ARG 173 HB2 0.06 0.00 0.05 -0.04 1.90 1.97 3ht4H1 ARG 173 HB3 0.09 -0.04 0.14 -0.04 1.80 1.96 3ht4H1 ARG 173 HG2 0.09 -0.04 -0.18 -0.04 1.67 1.50 3ht4H1 ARG 173 HG3 0.10 0.15 0.03 -0.04 1.67 1.91 3ht4H1 ARG 173 HD2 0.03 -0.03 0.00 -0.04 3.22 3.18 3ht4H1 ARG 173 HD3 0.04 -0.10 0.00 -0.04 3.22 3.12 3ht4H1 SER 174 H 0.14 0.07 -0.10 -0.55 8.46 8.02 3ht4H1 SER 174 HA 0.06 0.05 0.34 -0.75 4.49 4.18 3ht4H1 SER 174 HB2 0.20 0.25 0.10 -0.04 3.95 4.45 3ht4H1 SER 174 HB3 0.18 -0.08 0.01 -0.04 3.93 4.00 3ht4H1 LYS 175 H -0.02 0.09 0.15 -0.55 8.42 8.07 3ht4H1 LYS 175 HA -0.03 0.19 0.34 -0.75 4.32 4.07 3ht4H1 LYS 175 HB2 -0.06 0.24 -0.17 -0.04 1.87 1.84 3ht4H1 LYS 175 HB3 -0.11 -0.07 -0.36 -0.04 1.79 1.20 3ht4H1 LYS 175 HG2 -0.06 -0.19 0.07 -0.04 1.46 1.24 3ht4H1 LYS 175 HG3 -0.05 0.18 -0.13 -0.04 1.46 1.41 3ht4H1 LYS 175 HD2 -0.08 -0.09 0.01 -0.04 1.69 1.49 3ht4H1 LYS 175 HD3 -0.05 -0.03 -0.10 -0.04 1.68 1.46 3ht4H1 LYS 175 HE2 0.06 0.16 -0.13 -0.04 2.99 3.04 3ht4H1 LYS 175 HE3 -0.01 0.14 -0.23 -0.04 2.99 2.85 3ht4H1 GLY 176 H -0.01 -0.05 -0.22 -0.55 8.43 7.60 3ht4H1 GLY 176 HA2 -0.08 0.01 0.25 -0.51 4.01 3.68 3ht4H1 GLY 176 HA3 0.09 -0.06 0.43 -0.51 4.01 3.96 3ht4H1 TYR 177 H 0.23 0.02 0.15 -0.55 8.29 8.14 3ht4H1 TYR 177 HA -0.23 0.27 0.67 -0.75 4.56 4.52 3ht4H1 TYR 177 HB2 -0.18 -0.10 0.09 -0.04 3.06 2.83 3ht4H1 TYR 177 HB3 -0.22 0.05 0.16 -0.04 2.98 2.93 3ht4H1 TYR 177 HD2 -0.32 -0.07 -0.01 -0.04 7.15 6.71 3ht4H1 TYR 177 HE2 -0.22 0.02 -0.08 -0.04 6.85 6.52 3ht4H1 ALA 178 H 0.04 0.44 -0.23 -0.55 8.40 8.10 3ht4H1 ALA 178 HA 0.03 0.02 0.57 -0.75 4.34 4.22 3ht4H1 ALA 178 HB3 0.02 -0.01 0.10 -0.04 1.41 1.48 3ht4H1 THR 179 H 0.01 0.04 0.13 -0.55 8.28 7.91 3ht4H1 THR 179 HA 0.00 0.23 0.63 -0.75 4.39 4.50 3ht4H1 THR 179 HB 0.00 0.02 0.03 -0.04 4.32 4.33 3ht4H1 THR 179 HG23 0.00 -0.02 0.02 -0.04 1.22 1.18 3ht4H1 ARG 180 H -0.03 -0.06 -0.12 -0.55 8.46 7.70 3ht4H1 ARG 180 HA -0.06 0.15 0.68 -0.75 4.34 4.35 3ht4H1 ARG 180 HB2 -0.14 0.19 0.11 -0.04 1.90 2.02 3ht4H1 ARG 180 HB3 -0.03 -0.09 0.03 -0.04 1.80 1.66 3ht4H1 ARG 180 HG2 -0.01 -0.04 -0.03 -0.04 1.67 1.55 3ht4H1 ARG 180 HG3 -0.05 -0.16 -0.04 -0.04 1.67 1.39 3ht4H1 ARG 180 HD2 -0.27 0.11 -0.50 -0.04 3.22 2.51 3ht4H1 ARG 180 HD3 -0.34 0.04 -0.07 -0.04 3.22 2.81 3ht4H1 PRO 181 HA -0.14 0.07 0.63 -0.51 4.44 4.49 3ht4H1 PRO 181 HB2 -0.21 0.07 -0.03 -0.04 2.28 2.07 3ht4H1 PRO 181 HB3 -0.12 -0.00 0.10 -0.04 2.02 1.95 3ht4H1 PRO 181 HG2 -0.09 0.01 0.04 -0.04 2.03 1.95 3ht4H1 PRO 181 HG3 -0.09 0.04 0.00 -0.04 2.03 1.95 3ht4H1 PRO 181 HD2 -0.16 0.14 0.19 -0.04 3.68 3.82 3ht4H1 PRO 181 HD3 -0.09 0.15 0.15 -0.04 3.65 3.83 3ht4H1 SER 182 H -0.13 0.06 0.13 -0.55 8.46 7.96 3ht4H1 SER 182 HA -0.20 0.20 0.57 -0.75 4.49 4.31 3ht4H1 SER 182 HB2 -0.05 -0.06 0.03 -0.04 3.95 3.83 3ht4H1 SER 182 HB3 -0.01 0.15 0.07 -0.04 3.93 4.09 3ht4H1 PHE 183 H 0.06 0.69 0.27 -0.55 8.34 8.80 3ht4H1 PHE 183 HA 0.01 0.09 0.63 -0.75 4.62 4.60 3ht4H1 PHE 183 HB2 0.03 0.05 0.07 -0.04 3.15 3.26 3ht4H1 PHE 183 HB3 0.02 -0.04 -0.14 -0.04 3.06 2.86 3ht4H1 PHE 183 HD2 0.02 0.01 -0.02 -0.04 7.28 7.25 3ht4H1 PHE 183 HE2 0.01 -0.06 0.04 -0.04 7.38 7.33 3ht4H1 PHE 183 HZ -0.02 -0.01 -0.02 -0.04 7.32 7.22 3ht4H1 THR 184 H 0.19 0.11 0.15 -0.55 8.28 8.18 3ht4H1 THR 184 HA 0.07 0.18 0.39 -0.75 4.39 4.27 3ht4H1 THR 184 HB 0.04 -0.03 0.08 -0.04 4.32 4.38 3ht4H1 THR 184 HG23 0.04 0.06 -0.03 -0.04 1.22 1.25 3ht4H1 ILE 185 H 0.04 0.21 0.17 -0.55 8.25 8.12 3ht4H1 ILE 185 HA 0.04 0.13 0.21 -0.75 4.18 3.81 3ht4H1 ILE 185 HB 0.02 -0.06 0.12 -0.04 1.89 1.94 3ht4H1 ILE 185 HG12 0.02 -0.01 0.12 -0.04 1.49 1.58 3ht4H1 ILE 185 HG13 0.01 0.18 0.05 -0.04 1.21 1.41 3ht4H1 ILE 185 HG23 0.02 0.01 -0.28 -0.04 0.93 0.63 3ht4H1 ILE 185 HD13 0.01 -0.02 -0.11 -0.04 0.88 0.72 3ht4H1 SER 186 H 0.03 0.05 -0.23 -0.55 8.46 7.76 3ht4H1 SER 186 HA 0.02 0.18 0.52 -0.75 4.49 4.45 3ht4H1 SER 186 HB2 0.01 0.06 0.03 -0.04 3.95 4.01 3ht4H1 SER 186 HB3 0.01 0.03 0.04 -0.04 3.93 3.98 3ht4H1 GLN 187 H 0.06 0.02 -0.24 -0.55 8.47 7.76 3ht4H1 GLN 187 HA 0.04 0.04 0.55 -0.75 4.36 4.24 3ht4H1 GLN 187 HB2 0.12 -0.17 0.16 -0.04 2.15 2.22 3ht4H1 GLN 187 HB3 0.13 0.12 -0.05 -0.04 2.02 2.18 3ht4H1 GLN 187 HG2 0.08 0.04 0.04 -0.04 2.40 2.52 3ht4H1 GLN 187 HG3 0.08 -0.01 0.12 -0.04 2.39 2.53 3ht4H1 GLN 187 HE21 0.19 0.06 0.01 -0.04 6.97 7.19 3ht4H1 GLN 187 HE22 0.42 0.00 0.03 -0.04 7.69 8.10 3ht4H1 ILE 188 H 0.04 0.34 -0.46 -0.55 8.25 7.62 3ht4H1 ILE 188 HA -0.03 0.09 0.51 -0.75 4.18 4.00 3ht4H1 ILE 188 HB 0.03 0.09 0.01 -0.04 1.89 1.98 3ht4H1 ILE 188 HG12 0.01 -0.01 -0.13 -0.04 1.49 1.31 3ht4H1 ILE 188 HG13 0.06 -0.00 -0.28 -0.04 1.21 0.95 3ht4H1 ILE 188 HG23 0.00 -0.01 -0.13 -0.04 0.93 0.75 3ht4H1 ILE 188 HD13 0.05 -0.03 -0.13 -0.04 0.88 0.73 3ht4H1 LYS 189 H 0.02 0.07 -0.38 -0.55 8.42 7.58 3ht4H1 LYS 189 HA 0.03 0.18 0.61 -0.75 4.32 4.39 3ht4H1 LYS 189 HB2 0.02 -0.05 0.18 -0.04 1.87 1.99 3ht4H1 LYS 189 HB3 0.02 0.04 0.08 -0.04 1.79 1.88 3ht4H1 LYS 189 HG2 0.02 0.02 0.08 -0.04 1.46 1.54 3ht4H1 LYS 189 HG3 0.03 0.02 0.09 -0.04 1.46 1.56 3ht4H1 LYS 189 HD2 0.01 -0.07 -0.01 -0.04 1.69 1.59 3ht4H1 LYS 189 HD3 0.01 -0.04 -0.03 -0.04 1.68 1.59 3ht4H1 LYS 189 HE2 0.02 0.01 -0.00 -0.04 2.99 2.98 3ht4H1 LYS 189 HE3 0.02 0.06 0.01 -0.04 2.99 3.04 3ht4H1 GLU 190 H 0.03 0.24 -0.32 -0.55 8.60 8.00 3ht4H1 GLU 190 HA 0.00 0.04 0.25 -0.75 4.29 3.83 3ht4H1 GLU 190 HB2 -0.01 -0.01 0.09 -0.04 2.09 2.12 3ht4H1 GLU 190 HB3 0.05 0.18 0.15 -0.04 1.99 2.33 3ht4H1 GLU 190 HG2 -0.18 -0.02 0.10 -0.04 2.34 2.20 3ht4H1 GLU 190 HG3 -0.15 -0.03 0.07 -0.04 2.34 2.18 3ht4H1 ILE 192 HA 0.05 -0.07 0.20 -0.75 4.18 3.60 3ht4H1 ILE 192 HB 0.03 0.03 -0.07 -0.04 1.89 1.85 3ht4H1 ILE 192 HG12 0.03 -0.02 -0.01 -0.04 1.49 1.45 3ht4H1 ILE 192 HG13 0.04 -0.06 -0.01 -0.04 1.21 1.14 3ht4H1 ILE 192 HG23 0.02 -0.01 -0.13 -0.04 0.93 0.76 3ht4H1 ILE 192 HD13 0.03 -0.01 0.00 -0.04 0.88 0.86 3ht4H1 ALA 193 H 0.07 0.48 -0.73 -0.55 8.40 7.67 3ht4H1 ALA 193 HA 0.05 0.02 0.35 -0.75 4.34 4.00 3ht4H1 ALA 193 HB3 0.05 0.01 0.09 -0.04 1.41 1.52 3ht4H1 PHE 194 H 0.22 0.52 0.19 -0.55 8.34 8.72 3ht4H1 PHE 194 HA -0.00 -0.02 0.47 -0.75 4.62 4.32 3ht4H1 PHE 194 HB2 0.08 0.18 0.15 -0.04 3.15 3.52 3ht4H1 PHE 194 HB3 0.16 -0.07 0.07 -0.04 3.06 3.17 3ht4H1 PHE 194 HD2 0.08 0.02 -0.02 -0.04 7.28 7.32 3ht4H1 PHE 194 HE2 0.08 -0.01 0.01 -0.04 7.38 7.42 3ht4H1 PHE 194 HZ 0.09 -0.02 -0.02 -0.04 7.32 7.32 3ht4H1 VAL 195 H 0.22 0.18 -0.18 -0.55 8.24 7.91 3ht4H1 VAL 195 HA -0.07 -0.08 0.01 -0.75 4.13 3.24 3ht4H1 VAL 195 HB 0.01 0.06 -0.05 -0.04 2.12 2.09 3ht4H1 VAL 195 HG13 0.13 -0.02 -0.07 -0.04 0.97 0.97 3ht4H1 VAL 195 HG23 0.05 0.04 -0.06 -0.04 0.95 0.94 3ht4H1 LYS 196 H 0.03 0.56 -0.36 -0.55 8.42 8.09 3ht4H1 LYS 196 HA -0.01 0.10 0.38 -0.75 4.32 4.04 3ht4H1 LYS 196 HB2 0.02 0.12 0.09 -0.04 1.87 2.06 3ht4H1 LYS 196 HB3 0.01 -0.12 0.00 -0.04 1.79 1.64 3ht4H1 LYS 196 HG2 0.02 -0.03 0.05 -0.04 1.46 1.46 3ht4H1 LYS 196 HG3 0.03 -0.07 -0.03 -0.04 1.46 1.34 3ht4H1 LYS 196 HD2 0.02 -0.10 0.05 -0.04 1.69 1.63 3ht4H1 LYS 196 HD3 0.01 0.10 0.04 -0.04 1.68 1.80 3ht4H1 LYS 196 HE2 0.02 -0.06 0.09 -0.04 2.99 3.00 3ht4H1 LYS 196 HE3 0.03 0.02 0.07 -0.04 2.99 3.07 3ht4H1 GLU 197 H -0.03 0.63 -0.12 -0.55 8.60 8.53 3ht4H1 GLU 197 HA -0.03 -0.04 0.36 -0.75 4.29 3.83 3ht4H1 GLU 197 HB2 -0.03 0.24 0.25 -0.04 2.09 2.51 3ht4H1 GLU 197 HB3 -0.14 -0.15 0.15 -0.04 1.99 1.81 3ht4H1 GLU 197 HG2 -0.04 -0.11 -0.01 -0.04 2.34 2.14 3ht4H1 GLU 197 HG3 -0.04 -0.02 -0.02 -0.04 2.34 2.22 3ht4H1 ILE 198 H -0.21 0.21 -0.06 -0.55 8.25 7.64 3ht4H1 ILE 198 HA -0.11 -0.06 0.42 -0.75 4.18 3.67 3ht4H1 ILE 198 HB -0.16 0.01 0.08 -0.04 1.89 1.79 3ht4H1 ILE 198 HG12 -0.35 -0.06 0.03 -0.04 1.49 1.07 3ht4H1 ILE 198 HG13 -0.54 0.09 -0.07 -0.04 1.21 0.65 3ht4H1 ILE 198 HG23 -0.09 -0.01 -0.06 -0.04 0.93 0.73 3ht4H1 ILE 198 HD13 -0.44 -0.01 0.00 -0.04 0.88 0.39 3ht4H1 LYS 199 H -0.08 0.40 -0.16 -0.55 8.42 8.03 3ht4H1 LYS 199 HA -0.03 0.16 0.89 -0.75 4.32 4.58 3ht4H1 LYS 199 HB2 -0.04 -0.03 -0.09 -0.04 1.87 1.68 3ht4H1 LYS 199 HB3 -0.05 0.00 0.08 -0.04 1.79 1.78 3ht4H1 LYS 199 HG2 -0.05 0.17 0.02 -0.04 1.46 1.57 3ht4H1 LYS 199 HG3 -0.03 -0.28 -0.05 -0.04 1.46 1.05 3ht4H1 LYS 199 HD2 -0.02 -0.16 -0.05 -0.04 1.69 1.42 3ht4H1 LYS 199 HD3 -0.02 -0.01 -0.05 -0.04 1.68 1.55 3ht4H1 LYS 199 HE2 -0.04 0.04 -0.08 -0.04 2.99 2.86 3ht4H1 LYS 199 HE3 -0.02 -0.06 -0.06 -0.04 2.99 2.80 3ht4H1 PRO 200 HA -0.01 0.17 0.46 -0.51 4.44 4.56 3ht4H1 PRO 200 HB2 0.00 -0.09 0.03 -0.04 2.28 2.18 3ht4H1 PRO 200 HB3 -0.00 0.10 0.15 -0.04 2.02 2.22 3ht4H1 PRO 200 HG2 -0.01 -0.10 0.06 -0.04 2.03 1.95 3ht4H1 PRO 200 HG3 -0.01 -0.02 0.09 -0.04 2.03 2.05 3ht4H1 PRO 200 HD2 -0.02 -0.01 0.27 -0.04 3.68 3.87 3ht4H1 PRO 200 HD3 -0.03 0.46 -0.11 -0.04 3.65 3.93 3ht4H1 ASP 201 H -0.01 0.01 -0.49 -0.55 8.40 7.36 3ht4H1 ASP 201 HA 0.02 0.02 0.36 -0.75 4.63 4.28 3ht4H1 ASP 201 HB2 -0.02 0.02 -0.00 -0.04 2.71 2.67 3ht4H1 ASP 201 HB3 -0.01 0.01 -0.06 -0.04 2.70 2.60 3ht4H1 VAL 202 H -0.03 0.27 -0.23 -0.55 8.24 7.70 3ht4H1 VAL 202 HA -0.06 0.13 0.22 -0.75 4.13 3.66 3ht4H1 VAL 202 HB -0.05 0.05 -0.53 -0.04 2.12 1.54 3ht4H1 VAL 202 HG13 -0.06 -0.01 -0.04 -0.04 0.97 0.82 3ht4H1 VAL 202 HG23 -0.03 0.09 -0.09 -0.04 0.95 0.89 3ht4H1 VAL 203 H -0.13 0.43 0.30 -0.55 8.24 8.29 3ht4H1 VAL 203 HA -0.16 0.04 0.88 -0.75 4.13 4.14 3ht4H1 VAL 203 HB -0.53 -0.12 0.04 -0.04 2.12 1.48 3ht4H1 VAL 203 HG13 -0.56 0.02 0.10 -0.04 0.97 0.49 3ht4H1 VAL 203 HG23 -0.20 0.03 0.05 -0.04 0.95 0.78 3ht4H1 VAL 204 H -0.03 0.21 0.15 -0.55 8.24 8.02 3ht4H1 VAL 204 HA -0.02 0.29 0.76 -0.75 4.13 4.41 3ht4H1 VAL 204 HB 0.00 -0.10 0.23 -0.04 2.12 2.21 3ht4H1 VAL 204 HG13 -0.01 -0.01 -0.13 -0.04 0.97 0.78 3ht4H1 VAL 204 HG23 -0.00 0.05 -0.02 -0.04 0.95 0.94 3ht4H1 PHE 205 H 0.08 0.69 0.33 -0.55 8.34 8.89 3ht4H1 PHE 205 HA -0.04 0.28 0.86 -0.75 4.62 4.96 3ht4H1 PHE 205 HB2 -0.08 -0.02 -0.10 -0.04 3.15 2.91 3ht4H1 PHE 205 HB3 -0.12 0.04 0.06 -0.04 3.06 3.01 3ht4H1 PHE 205 HD2 -0.07 -0.08 -0.16 -0.04 7.28 6.93 3ht4H1 PHE 205 HE2 0.06 -0.08 -0.20 -0.04 7.38 7.12 3ht4H1 PHE 205 HZ 0.06 -0.13 -0.08 -0.04 7.32 7.12 3ht4H1 VAL 206 H -0.50 0.54 0.32 -0.55 8.24 8.05 3ht4H1 VAL 206 HA -0.27 0.28 1.25 -0.75 4.13 4.64 3ht4H1 VAL 206 HB -0.17 -0.05 0.10 -0.04 2.12 1.96 3ht4H1 VAL 206 HG13 -0.06 -0.04 -0.23 -0.04 0.97 0.60 3ht4H1 VAL 206 HG23 -0.07 0.01 -0.14 -0.04 0.95 0.71 3ht4H1 ASP 207 H -0.12 0.43 0.33 -0.55 8.40 8.49 3ht4H1 ASP 207 HA -0.13 0.25 0.93 -0.75 4.63 4.93 3ht4H1 ASP 207 HB2 0.39 0.05 0.12 -0.04 2.71 3.24 3ht4H1 ASP 207 HB3 0.24 -0.03 0.30 -0.04 2.70 3.17 3ht4H1 ASN 208 H -0.03 0.76 0.38 -0.55 8.53 9.10 3ht4H1 ASN 208 HA 0.03 0.11 0.23 -0.75 4.76 4.37 3ht4H1 ASN 208 HB2 -0.00 0.19 0.03 -0.04 2.88 3.06 3ht4H1 ASN 208 HB3 0.15 0.02 0.09 -0.04 2.79 3.01 3ht4H1 ASN 208 HD21 -0.27 -0.02 0.00 -0.04 7.03 6.70 3ht4H1 ASN 208 HD22 -0.03 0.05 0.01 -0.04 7.74 7.73 3ht4H1 CYS 209 H 0.05 0.17 -0.25 -0.55 8.50 7.92 3ht4H1 CYS 209 HA 0.00 -0.06 0.41 -0.75 4.58 4.18 3ht4H1 CYS 209 HB2 0.03 0.06 0.13 -0.04 2.97 3.15 3ht4H1 CYS 209 HB3 -0.22 0.05 -0.07 -0.04 2.97 2.70 3ht4H1 TYR 210 H -0.01 0.06 0.31 -0.55 8.29 8.10 3ht4H1 TYR 210 HA 0.08 0.02 0.43 -0.75 4.56 4.33 3ht4H1 TYR 210 HB2 0.04 0.50 0.68 -0.04 3.06 4.24 3ht4H1 TYR 210 HB3 0.04 -0.22 0.24 -0.04 2.98 3.00 3ht4H1 TYR 210 HD2 0.04 0.06 -0.02 -0.04 7.15 7.18 3ht4H1 TYR 210 HE2 0.03 0.09 -0.04 -0.04 6.85 6.89 3ht4H1 GLY 211 H 0.12 0.38 -0.09 -0.55 8.43 8.29 3ht4H1 GLY 211 HA2 0.09 0.34 0.91 -0.51 4.01 4.83 3ht4H1 GLY 211 HA3 0.06 0.05 0.31 -0.51 4.01 3.92 3ht4H1 GLU 212 H 0.08 -0.07 0.07 -0.55 8.60 8.13 3ht4H1 GLU 212 HA -0.23 0.06 0.19 -0.75 4.29 3.56 3ht4H1 GLU 212 HB2 0.15 -0.14 0.16 -0.04 2.09 2.22 3ht4H1 GLU 212 HB3 -0.00 0.10 -0.04 -0.04 1.99 2.01 3ht4H1 GLU 212 HG2 0.23 0.05 -0.00 -0.04 2.34 2.58 3ht4H1 GLU 212 HG3 -0.04 0.09 0.06 -0.04 2.34 2.40 3ht4H1 PHE 213 H -0.16 0.19 0.19 -0.55 8.34 8.01 3ht4H1 PHE 213 HA -0.04 0.13 0.32 -0.75 4.62 4.28 3ht4H1 PHE 213 HB2 0.02 0.39 -0.30 -0.04 3.15 3.21 3ht4H1 PHE 213 HB3 -0.02 -0.02 0.06 -0.04 3.06 3.05 3ht4H1 PHE 213 HD2 0.01 0.03 -0.13 -0.04 7.28 7.15 3ht4H1 PHE 213 HE2 -0.17 0.03 -0.06 -0.04 7.38 7.14 3ht4H1 PHE 213 HZ -0.48 -0.00 -0.09 -0.04 7.32 6.71 3ht4H1 ILE 214 H 0.09 0.33 -0.45 -0.55 8.25 7.67 3ht4H1 ILE 214 HA 0.07 0.13 0.65 -0.75 4.18 4.28 3ht4H1 ILE 214 HB 0.09 -0.04 -0.21 -0.04 1.89 1.68 3ht4H1 ILE 214 HG12 0.05 -0.01 0.04 -0.04 1.49 1.53 3ht4H1 ILE 214 HG13 0.06 -0.02 -0.20 -0.04 1.21 1.01 3ht4H1 ILE 214 HG23 0.06 0.07 -0.33 -0.04 0.93 0.69 3ht4H1 ILE 214 HD13 0.04 -0.05 -0.28 -0.04 0.88 0.55 3ht4H1 GLU 215 H 0.03 0.10 0.03 -0.55 8.60 8.22 3ht4H1 GLU 215 HA 0.03 0.22 0.64 -0.75 4.29 4.43 3ht4H1 GLU 215 HB2 0.01 0.15 0.18 -0.04 2.09 2.38 3ht4H1 GLU 215 HB3 0.01 -0.13 0.19 -0.04 1.99 2.02 3ht4H1 GLU 215 HG2 0.02 0.19 0.14 -0.04 2.34 2.65 3ht4H1 GLU 215 HG3 0.03 0.06 0.00 -0.04 2.34 2.39 3ht4H1 GLU 216 H 0.01 0.13 0.10 -0.55 8.60 8.29 3ht4H1 GLU 216 HA 0.04 0.17 0.43 -0.75 4.29 4.18 3ht4H1 GLU 216 HB2 -0.01 -0.04 0.07 -0.04 2.09 2.06 3ht4H1 GLU 216 HB3 -0.02 0.05 0.14 -0.04 1.99 2.11 3ht4H1 GLU 216 HG2 0.01 0.05 0.03 -0.04 2.34 2.39 3ht4H1 GLU 216 HG3 0.01 -0.04 -0.01 -0.04 2.34 2.26 3ht4H1 GLN 217 H -0.01 0.04 -0.59 -0.55 8.47 7.37 3ht4H1 GLN 217 HA -0.06 0.21 0.66 -0.75 4.36 4.42 3ht4H1 GLN 217 HB2 -0.03 -0.14 -0.12 -0.04 2.15 1.83 3ht4H1 GLN 217 HB3 0.02 0.05 -0.13 -0.04 2.02 1.93 3ht4H1 GLN 217 HG2 -0.45 0.07 0.05 -0.04 2.40 2.03 3ht4H1 GLN 217 HG3 -0.17 0.16 -0.31 -0.04 2.39 2.04 3ht4H1 GLN 217 HE21 -0.05 -0.02 -0.07 -0.04 6.97 6.79 3ht4H1 GLN 217 HE22 -0.15 0.07 -0.04 -0.04 7.69 7.52 3ht4H1 GLU 218 H 0.51 0.26 0.12 -0.55 8.60 8.95 3ht4H1 GLU 218 HA -0.09 0.20 0.91 -0.75 4.29 4.55 3ht4H1 GLU 218 HB2 -0.27 0.16 0.10 -0.04 2.09 2.04 3ht4H1 GLU 218 HB3 -0.36 -0.00 0.12 -0.04 1.99 1.71 3ht4H1 GLU 218 HG2 -0.31 0.06 -0.11 -0.04 2.34 1.93 3ht4H1 GLU 218 HG3 -1.29 0.03 -0.01 -0.04 2.34 1.03 3ht4H1 PRO 219 HA 0.01 0.08 0.25 -0.51 4.44 4.26 3ht4H1 PRO 219 HB2 -0.05 0.07 0.02 -0.04 2.28 2.28 3ht4H1 PRO 219 HB3 -0.03 0.09 0.05 -0.04 2.02 2.09 3ht4H1 PRO 219 HG2 -0.04 0.03 0.01 -0.04 2.03 1.99 3ht4H1 PRO 219 HG3 -0.01 0.06 0.03 -0.04 2.03 2.07 3ht4H1 PRO 219 HD2 -0.11 0.10 0.20 -0.04 3.68 3.83 3ht4H1 PRO 219 HD3 -0.05 0.18 0.20 -0.04 3.65 3.94 3ht4H1 CYS 220 H -0.08 0.11 -0.46 -0.55 8.50 7.53 3ht4H1 CYS 220 HA -0.01 0.03 0.54 -0.75 4.58 4.39 3ht4H1 CYS 220 HB2 -0.09 0.11 0.01 -0.04 2.97 2.97 3ht4H1 CYS 220 HB3 -0.09 0.27 -0.38 -0.04 2.97 2.74 3ht4H1 HIS 221 H -0.00 0.70 -0.09 -0.55 8.41 8.48 3ht4H1 HIS 221 HA 0.02 0.17 0.56 -0.75 4.63 4.62 3ht4H1 HIS 221 HB2 -0.01 0.06 0.10 -0.04 3.26 3.38 3ht4H1 HIS 221 HB3 0.00 -0.04 -0.00 -0.04 3.20 3.12 3ht4H1 HIS 221 HD2 0.03 0.01 0.05 -0.04 6.97 7.02 3ht4H1 HIS 221 HE1 0.01 0.24 0.07 -0.04 7.75 8.02 3ht4H1 VAL 222 H 0.07 0.17 -0.24 -0.55 8.24 7.69 3ht4H1 VAL 222 HA 0.06 0.14 0.61 -0.75 4.13 4.18 3ht4H1 VAL 222 HB 0.03 0.02 0.07 -0.04 2.12 2.20 3ht4H1 VAL 222 HG13 0.04 -0.02 -0.13 -0.04 0.97 0.81 3ht4H1 VAL 222 HG23 0.03 0.01 -0.12 -0.04 0.95 0.83 3ht4H1 GLY 223 H 0.03 0.07 -0.19 -0.55 8.43 7.80 3ht4H1 GLY 223 HA2 0.04 0.06 0.06 -0.51 4.01 3.65 3ht4H1 GLY 223 HA3 0.03 0.16 0.62 -0.51 4.01 4.32 3ht4H1 ALA 224 H 0.01 0.25 0.18 -0.55 8.40 8.29 3ht4H1 ALA 224 HA 0.00 0.18 0.67 -0.75 4.34 4.44 3ht4H1 ALA 224 HB3 -0.03 -0.03 -0.05 -0.04 1.41 1.26 3ht4H1 ASP 225 H 0.02 0.46 0.36 -0.55 8.40 8.69 3ht4H1 ASP 225 HA 0.14 0.06 0.70 -0.75 4.63 4.77 3ht4H1 ASP 225 HB2 -0.08 0.03 0.04 -0.04 2.71 2.66 3ht4H1 ASP 225 HB3 0.06 -0.12 0.19 -0.04 2.70 2.79 3ht4H1 LEU 226 H 0.04 0.18 -0.30 -0.55 8.37 7.74 3ht4H1 LEU 226 HA 0.13 0.18 0.53 -0.75 4.35 4.44 3ht4H1 LEU 226 HB2 0.08 0.01 -0.76 -0.04 1.64 0.93 3ht4H1 LEU 226 HB3 0.28 -0.00 -0.15 -0.04 1.64 1.72 3ht4H1 LEU 226 HG 0.17 -0.04 -0.14 -0.04 1.64 1.59 3ht4H1 LEU 226 HD13 0.08 0.01 -0.18 -0.04 0.93 0.80 3ht4H1 LEU 226 HD23 0.30 0.01 -0.10 -0.04 0.89 1.06 3ht4H1 ALA 228 HA -0.23 0.02 0.26 -0.75 4.34 3.64 3ht4H1 ALA 228 HB3 0.14 -0.03 -0.01 -0.04 1.41 1.47 3ht4H1 GLY 229 H -0.70 0.41 0.27 -0.55 8.43 7.86 3ht4H1 GLY 229 HA2 -0.16 -0.01 0.50 -0.51 4.01 3.83 3ht4H1 GLY 229 HA3 -0.34 0.06 0.31 -0.51 4.01 3.52 3ht4H1 SER 230 H -0.03 0.10 0.18 -0.55 8.46 8.16 3ht4H1 SER 230 HA 0.00 0.26 0.78 -0.75 4.49 4.77 3ht4H1 SER 230 HB2 -0.03 -0.22 0.16 -0.04 3.95 3.81 3ht4H1 SER 230 HB3 -0.06 0.01 0.10 -0.04 3.93 3.94 3ht4H1 LEU 231 H 0.07 0.66 0.07 -0.55 8.37 8.63 3ht4H1 LEU 231 HA 0.22 0.13 0.20 -0.75 4.35 4.15 3ht4H1 LEU 231 HB2 0.08 0.01 -0.84 -0.04 1.64 0.85 3ht4H1 LEU 231 HB3 0.10 0.06 -0.47 -0.04 1.64 1.29 3ht4H1 LEU 231 HG 0.21 -0.09 -0.42 -0.04 1.64 1.30 3ht4H1 LEU 231 HD13 -0.02 -0.01 -0.25 -0.04 0.93 0.61 3ht4H1 LEU 231 HD23 0.24 -0.00 -0.28 -0.04 0.89 0.81 3ht4H1 ILE 232 H 0.06 0.06 -0.17 -0.55 8.25 7.65 3ht4H1 ILE 232 HA 0.08 0.32 0.64 -0.75 4.18 4.47 3ht4H1 ILE 232 HB 0.06 0.04 0.06 -0.04 1.89 2.02 3ht4H1 ILE 232 HG12 0.03 -0.15 -0.02 -0.04 1.49 1.31 3ht4H1 ILE 232 HG13 0.03 -0.10 -0.13 -0.04 1.21 0.98 3ht4H1 ILE 232 HG23 0.05 0.05 -0.28 -0.04 0.93 0.71 3ht4H1 ILE 232 HD13 0.04 0.03 -0.12 -0.04 0.88 0.78 3ht4H1 LYS 233 H 0.09 0.13 -0.91 -0.55 8.42 7.18 3ht4H1 LYS 233 HA 0.07 0.10 0.28 -0.75 4.32 4.02 3ht4H1 LYS 233 HB2 -0.02 0.04 0.08 -0.04 1.87 1.93 3ht4H1 LYS 233 HB3 -0.02 -0.02 0.19 -0.04 1.79 1.90 3ht4H1 LYS 233 HG2 -0.07 0.07 -0.03 -0.04 1.46 1.39 3ht4H1 LYS 233 HG3 -0.07 -0.01 -0.26 -0.04 1.46 1.08 3ht4H1 LYS 233 HD2 -0.41 -0.15 0.03 -0.04 1.69 1.11 3ht4H1 LYS 233 HD3 -1.22 0.10 -0.03 -0.04 1.68 0.49 3ht4H1 LYS 233 HE2 -0.26 0.14 -0.00 -0.04 2.99 2.82 3ht4H1 LYS 233 HE3 -0.17 -0.05 -0.03 -0.04 2.99 2.70 3ht4H1 ASN 234 H 0.11 0.04 0.11 -0.55 8.53 8.24 3ht4H1 ASN 234 HA 0.16 0.07 0.06 -0.75 4.76 4.31 3ht4H1 ASN 234 HB2 0.20 -0.09 0.20 -0.04 2.88 3.15 3ht4H1 ASN 234 HB3 0.24 0.24 0.02 -0.04 2.79 3.25 3ht4H1 ASN 234 HD21 0.17 0.06 -0.19 -0.04 7.03 7.02 3ht4H1 ASN 234 HD22 0.17 0.57 -0.08 -0.04 7.74 8.36 3ht4H1 PRO 235 HA 0.40 0.16 0.38 -0.51 4.44 4.87 3ht4H1 PRO 235 HB2 0.23 0.05 0.04 -0.04 2.28 2.56 3ht4H1 PRO 235 HB3 0.31 0.03 0.02 -0.04 2.02 2.35 3ht4H1 PRO 235 HG2 0.35 0.05 -0.21 -0.04 2.03 2.17 3ht4H1 PRO 235 HG3 0.41 -0.01 -0.10 -0.04 2.03 2.28 3ht4H1 PRO 235 HD2 0.23 0.03 -0.19 -0.04 3.68 3.71 3ht4H1 PRO 235 HD3 0.28 0.01 0.13 -0.04 3.65 4.03 3ht4H1 GLY 236 H 0.19 0.36 -0.64 -0.55 8.43 7.79 3ht4H1 GLY 236 HA2 0.18 0.12 0.78 -0.51 4.01 4.58 3ht4H1 GLY 236 HA3 0.14 0.27 0.30 -0.51 4.01 4.21 3ht4H1 GLY 237 H 0.15 0.39 0.04 -0.55 8.43 8.46 3ht4H1 GLY 237 HA2 0.09 0.05 0.31 -0.51 4.01 3.95 3ht4H1 GLY 237 HA3 0.09 0.17 0.37 -0.51 4.01 4.14 3ht4H1 GLY 238 H 0.10 0.11 -0.30 -0.55 8.43 7.80 3ht4H1 GLY 238 HA2 0.09 -0.03 0.18 -0.51 4.01 3.73 3ht4H1 GLY 238 HA3 0.06 0.07 0.47 -0.51 4.01 4.09 3ht4H1 ILE 239 H 0.07 0.39 -0.76 -0.55 8.25 7.40 3ht4H1 ILE 239 HA 0.00 0.04 0.22 -0.75 4.18 3.69 3ht4H1 ILE 239 HB 0.06 0.16 0.17 -0.04 1.89 2.24 3ht4H1 ILE 239 HG12 -0.01 -0.07 -0.05 -0.04 1.49 1.32 3ht4H1 ILE 239 HG13 0.03 0.33 0.04 -0.04 1.21 1.58 3ht4H1 ILE 239 HG23 0.02 -0.05 -0.11 -0.04 0.93 0.74 3ht4H1 ILE 239 HD13 0.04 -0.04 -0.08 -0.04 0.88 0.76 3ht4H1 VAL 240 H 0.08 0.28 0.09 -0.55 8.24 8.14 3ht4H1 VAL 240 HA 0.05 0.02 0.36 -0.75 4.13 3.80 3ht4H1 VAL 240 HB 0.06 -0.05 -0.03 -0.04 2.12 2.06 3ht4H1 VAL 240 HG13 0.10 0.04 0.07 -0.04 0.97 1.13 3ht4H1 VAL 240 HG23 0.10 -0.09 -0.23 -0.04 0.95 0.69 3ht4H1 LYS 241 H 0.04 0.08 0.17 -0.55 8.42 8.16 3ht4H1 LYS 241 HA 0.05 0.13 0.30 -0.75 4.32 4.05 3ht4H1 LYS 241 HB2 0.04 -0.03 0.08 -0.04 1.87 1.92 3ht4H1 LYS 241 HB3 0.04 -0.01 0.04 -0.04 1.79 1.82 3ht4H1 LYS 241 HG2 0.04 0.09 0.09 -0.04 1.46 1.63 3ht4H1 LYS 241 HG3 0.04 -0.02 0.06 -0.04 1.46 1.49 3ht4H1 LYS 241 HD2 0.04 -0.04 0.02 -0.04 1.69 1.67 3ht4H1 LYS 241 HD3 0.05 0.04 0.00 -0.04 1.68 1.73 3ht4H1 LYS 241 HE2 0.03 -0.04 0.02 -0.04 2.99 2.96 3ht4H1 LYS 241 HE3 0.04 -0.02 0.01 -0.04 2.99 2.98 3ht4H1 THR 242 H 0.04 0.16 -0.04 -0.55 8.28 7.90 3ht4H1 THR 242 HA 0.04 0.05 0.42 -0.75 4.39 4.15 3ht4H1 THR 242 HB 0.03 0.18 -0.23 -0.04 4.32 4.26 3ht4H1 THR 242 HG23 0.03 -0.02 -0.19 -0.04 1.22 0.99 3ht4H1 GLY 243 H 0.04 0.23 0.05 -0.55 8.43 8.21 3ht4H1 GLY 243 HA2 0.02 0.32 0.23 -0.51 4.01 4.08 3ht4H1 GLY 243 HA3 0.01 0.11 0.75 -0.51 4.01 4.37 3ht4H1 GLY 244 H -0.00 0.40 0.22 -0.55 8.43 8.49 3ht4H1 GLY 244 HA2 0.06 -0.10 0.49 -0.51 4.01 3.96 3ht4H1 GLY 244 HA3 -0.02 0.06 0.27 -0.51 4.01 3.80 3ht4H1 TYR 245 H -0.24 0.36 0.29 -0.55 8.29 8.14 3ht4H1 TYR 245 HA -0.09 0.30 1.17 -0.75 4.56 5.18 3ht4H1 TYR 245 HB2 -0.02 0.05 0.01 -0.04 3.06 3.05 3ht4H1 TYR 245 HB3 -0.00 -0.04 -0.23 -0.04 2.98 2.66 3ht4H1 TYR 245 HD2 0.18 -0.01 -0.34 -0.04 7.15 6.94 3ht4H1 TYR 245 HE2 0.22 0.03 -0.15 -0.04 6.85 6.90 3ht4H1 ILE 246 H 0.15 0.84 0.34 -0.55 8.25 9.02 3ht4H1 ILE 246 HA 0.18 0.07 0.44 -0.75 4.18 4.12 3ht4H1 ILE 246 HB 0.05 -0.04 0.12 -0.04 1.89 1.98 3ht4H1 ILE 246 HG12 0.05 0.04 0.14 -0.04 1.49 1.68 3ht4H1 ILE 246 HG13 -0.01 -0.08 -0.85 -0.04 1.21 0.23 3ht4H1 ILE 246 HG23 0.12 0.00 -0.14 -0.04 0.93 0.88 3ht4H1 ILE 246 HD13 -0.00 -0.00 -0.10 -0.04 0.88 0.73 3ht4H1 VAL 247 H 0.30 0.23 0.14 -0.55 8.24 8.36 3ht4H1 VAL 247 HA 0.10 0.24 1.05 -0.75 4.13 4.77 3ht4H1 VAL 247 HB 0.11 0.10 0.01 -0.04 2.12 2.30 3ht4H1 VAL 247 HG13 0.05 -0.02 -0.27 -0.04 0.97 0.69 3ht4H1 VAL 247 HG23 0.32 -0.01 -0.03 -0.04 0.95 1.19 3ht4H1 GLY 248 H 0.08 0.46 0.17 -0.55 8.43 8.60 3ht4H1 GLY 248 HA2 0.09 0.14 0.21 -0.51 4.01 3.94 3ht4H1 GLY 248 HA3 0.13 0.17 0.47 -0.51 4.01 4.28 3ht4H1 LYS 249 H 0.23 0.69 0.26 -0.55 8.42 9.05 3ht4H1 LYS 249 HA 0.02 0.02 0.42 -0.75 4.32 4.03 3ht4H1 LYS 249 HB2 0.13 0.05 0.23 -0.04 1.87 2.23 3ht4H1 LYS 249 HB3 -0.18 -0.08 0.10 -0.04 1.79 1.59 3ht4H1 LYS 249 HG2 0.07 -0.01 0.07 -0.04 1.46 1.55 3ht4H1 LYS 249 HG3 0.21 0.12 0.20 -0.04 1.46 1.96 3ht4H1 LYS 249 HD2 0.22 0.02 0.08 -0.04 1.69 1.97 3ht4H1 LYS 249 HD3 0.01 -0.07 0.06 -0.04 1.68 1.63 3ht4H1 LYS 249 HE2 0.14 0.08 0.03 -0.04 2.99 3.20 3ht4H1 LYS 249 HE3 0.09 0.03 0.03 -0.04 2.99 3.09 3ht4H1 GLU 250 H -0.04 0.20 0.18 -0.55 8.60 8.39 3ht4H1 GLU 250 HA -0.02 0.06 0.28 -0.75 4.29 3.86 3ht4H1 GLU 250 HB2 -0.03 0.08 0.14 -0.04 2.09 2.24 3ht4H1 GLU 250 HB3 -0.07 -0.04 0.16 -0.04 1.99 2.01 3ht4H1 GLU 250 HG2 -0.03 0.02 -0.00 -0.04 2.34 2.29 3ht4H1 GLU 250 HG3 -0.03 -0.02 -0.18 -0.04 2.34 2.06 3ht4H1 GLN 251 H -0.23 0.10 -0.22 -0.55 8.47 7.57 3ht4H1 GLN 251 HA -0.05 0.05 0.09 -0.75 4.36 3.69 3ht4H1 GLN 251 HB2 -0.08 0.05 0.05 -0.04 2.15 2.13 3ht4H1 GLN 251 HB3 -0.14 -0.03 0.06 -0.04 2.02 1.88 3ht4H1 GLN 251 HG2 -0.80 0.03 -0.14 -0.04 2.40 1.45 3ht4H1 GLN 251 HG3 -0.25 0.07 -0.08 -0.04 2.39 2.10 3ht4H1 GLN 251 HE21 -0.18 0.02 0.01 -0.04 6.97 6.78 3ht4H1 GLN 251 HE22 -0.18 0.05 -0.01 -0.04 7.69 7.51 3ht4H1 TYR 252 H -0.29 0.17 -0.13 -0.55 8.29 7.49 3ht4H1 TYR 252 HA 0.03 0.16 0.63 -0.75 4.56 4.63 3ht4H1 TYR 252 HB2 0.04 0.04 0.06 -0.04 3.06 3.16 3ht4H1 TYR 252 HB3 0.04 0.04 -0.02 -0.04 2.98 3.00 3ht4H1 TYR 252 HD2 0.03 0.07 0.06 -0.04 7.15 7.27 3ht4H1 TYR 252 HE2 0.01 0.04 0.04 -0.04 6.85 6.91 3ht4H1 VAL 253 H 0.09 0.55 -0.19 -0.55 8.24 8.14 3ht4H1 VAL 253 HA 0.07 0.05 0.36 -0.75 4.13 3.86 3ht4H1 VAL 253 HB 0.02 0.12 -0.06 -0.04 2.12 2.16 3ht4H1 VAL 253 HG13 0.00 -0.02 -0.33 -0.04 0.97 0.58 3ht4H1 VAL 253 HG23 0.08 0.02 -0.41 -0.04 0.95 0.60 3ht4H1 GLU 254 H 0.01 0.62 -0.03 -0.55 8.60 8.66 3ht4H1 GLU 254 HA -0.08 -0.04 0.29 -0.75 4.29 3.71 3ht4H1 GLU 254 HB2 0.05 0.13 0.05 -0.04 2.09 2.28 3ht4H1 GLU 254 HB3 0.07 -0.04 -0.00 -0.04 1.99 1.98 3ht4H1 GLU 254 HG2 -0.01 0.32 -0.02 -0.04 2.34 2.60 3ht4H1 GLU 254 HG3 0.01 -0.05 -0.05 -0.04 2.34 2.21 3ht4H1 ALA 255 H 0.10 0.26 -0.62 -0.55 8.40 7.59 3ht4H1 ALA 255 HA 0.22 -0.03 0.44 -0.75 4.34 4.22 3ht4H1 ALA 255 HB3 0.12 0.13 0.15 -0.04 1.41 1.77 3ht4H1 CYS 256 H 0.08 0.55 -0.03 -0.55 8.50 8.55 3ht4H1 CYS 256 HA 0.05 0.09 0.40 -0.75 4.58 4.36 3ht4H1 CYS 256 HB2 0.03 0.06 0.05 -0.04 2.97 3.07 3ht4H1 CYS 256 HB3 0.02 -0.08 -0.14 -0.04 2.97 2.72 3ht4H1 ALA 257 H -0.03 0.54 -0.47 -0.55 8.40 7.89 3ht4H1 ALA 257 HA -0.07 0.02 0.30 -0.75 4.34 3.84 3ht4H1 ALA 257 HB3 -0.20 0.02 -0.04 -0.04 1.41 1.15 3ht4H1 TYR 258 H 0.06 0.54 -0.35 -0.55 8.29 7.99 3ht4H1 TYR 258 HA 0.01 -0.07 0.41 -0.75 4.56 4.15 3ht4H1 TYR 258 HB2 0.01 0.29 0.09 -0.04 3.06 3.41 3ht4H1 TYR 258 HB3 0.01 -0.07 -0.13 -0.04 2.98 2.75 3ht4H1 TYR 258 HD2 0.01 0.20 -0.03 -0.04 7.15 7.29 3ht4H1 TYR 258 HE2 0.00 0.00 -0.26 -0.04 6.85 6.56 3ht4H1 ARG 259 H 0.09 0.34 -0.26 -0.55 8.46 8.09 3ht4H1 ARG 259 HA 0.06 0.09 0.57 -0.75 4.34 4.30 3ht4H1 ARG 259 HB2 0.06 0.06 -0.00 -0.04 1.90 1.98 3ht4H1 ARG 259 HB3 0.05 0.10 0.04 -0.04 1.80 1.95 3ht4H1 ARG 259 HG2 0.08 -0.02 -0.25 -0.04 1.67 1.44 3ht4H1 ARG 259 HG3 0.02 -0.05 -0.10 -0.04 1.67 1.50 3ht4H1 ARG 259 HD2 0.00 0.00 0.08 -0.04 3.22 3.26 3ht4H1 ARG 259 HD3 0.02 0.05 -0.06 -0.04 3.22 3.19 3ht4H1 LEU 260 H 0.02 0.11 -0.57 -0.55 8.37 7.38 3ht4H1 LEU 260 HA 0.01 0.08 0.53 -0.75 4.35 4.22 3ht4H1 LEU 260 HB2 -0.04 0.03 -0.04 -0.04 1.64 1.55 3ht4H1 LEU 260 HB3 -0.03 0.07 0.03 -0.04 1.64 1.67 3ht4H1 LEU 260 HG -0.03 -0.00 -0.27 -0.04 1.64 1.31 3ht4H1 LEU 260 HD13 -0.08 0.01 -0.06 -0.04 0.93 0.76 3ht4H1 LEU 260 HD23 -0.07 -0.04 -0.16 -0.04 0.89 0.58 3ht4H1 THR 261 H 0.02 0.29 -0.11 -0.55 8.28 7.93 3ht4H1 THR 261 HA 0.02 0.15 0.78 -0.75 4.39 4.60 3ht4H1 THR 261 HB 0.04 -0.12 0.13 -0.04 4.32 4.32 3ht4H1 THR 261 HG23 -0.01 -0.03 -0.02 -0.04 1.22 1.12 3ht4H1 SER 262 H 0.11 0.08 0.23 -0.55 8.46 8.33 3ht4H1 SER 262 HA 0.08 0.30 0.67 -0.75 4.49 4.78 3ht4H1 SER 262 HB2 0.05 0.10 -0.35 -0.04 3.95 3.71 3ht4H1 SER 262 HB3 0.07 -0.18 -0.09 -0.04 3.93 3.68 3ht4H1 PRO 263 HA -0.23 0.00 0.53 -0.51 4.44 4.23 3ht4H1 PRO 263 HB2 -0.05 -0.02 0.12 -0.04 2.28 2.30 3ht4H1 PRO 263 HB3 -0.14 0.04 0.09 -0.04 2.02 1.96 3ht4H1 PRO 263 HG2 -0.01 0.02 0.10 -0.04 2.03 2.10 3ht4H1 PRO 263 HG3 -0.03 0.11 0.08 -0.04 2.03 2.14 3ht4H1 PRO 263 HD2 0.03 0.06 0.24 -0.04 3.68 3.97 3ht4H1 PRO 263 HD3 0.05 0.35 0.19 -0.04 3.65 4.20 3ht4H1 GLY 264 H -0.11 0.16 0.09 -0.55 8.43 8.02 3ht4H1 GLY 264 HA2 0.01 -0.00 0.33 -0.51 4.01 3.84 3ht4H1 GLY 264 HA3 0.02 0.16 0.74 -0.51 4.01 4.43 3ht4H1 ILE 265 H 0.11 0.23 -0.27 -0.55 8.25 7.77 3ht4H1 ILE 265 HA 0.09 0.03 0.60 -0.75 4.18 4.14 3ht4H1 ILE 265 HB 0.10 -0.04 0.21 -0.04 1.89 2.12 3ht4H1 ILE 265 HG12 0.07 -0.03 0.00 -0.04 1.49 1.48 3ht4H1 ILE 265 HG13 0.07 0.07 -0.03 -0.04 1.21 1.29 3ht4H1 ILE 265 HG23 0.11 -0.02 -0.14 -0.04 0.93 0.85 3ht4H1 ILE 265 HD13 0.06 -0.00 -0.03 -0.04 0.88 0.86 3ht4H1 GLY 266 H 0.14 0.29 0.15 -0.55 8.43 8.47 3ht4H1 GLY 266 HA2 -0.60 0.09 0.15 -0.51 4.01 3.14 3ht4H1 GLY 266 HA3 -0.42 0.11 0.70 -0.51 4.01 3.89 3ht4H1 ALA 267 H -0.23 0.19 0.09 -0.55 8.40 7.90 3ht4H1 ALA 267 HA -0.09 0.26 0.75 -0.75 4.34 4.50 3ht4H1 ALA 267 HB3 -0.12 0.01 0.09 -0.04 1.41 1.34 3ht4H1 GLU 268 H -0.01 0.15 -0.43 -0.55 8.60 7.77 3ht4H1 GLU 268 HA 0.03 0.13 0.69 -0.75 4.29 4.39 3ht4H1 GLU 268 HB2 0.18 0.00 -0.05 -0.04 2.09 2.18 3ht4H1 GLU 268 HB3 0.07 -0.08 0.13 -0.04 1.99 2.07 3ht4H1 GLU 268 HG2 0.01 0.17 0.02 -0.04 2.34 2.50 3ht4H1 GLU 268 HG3 0.00 0.03 0.06 -0.04 2.34 2.39 3ht4H1 ALA 269 H 0.01 0.13 -0.35 -0.55 8.40 7.64 3ht4H1 ALA 269 HA -0.24 0.19 0.55 -0.75 4.34 4.08 3ht4H1 ALA 269 HB3 -0.01 -0.01 -0.08 -0.04 1.41 1.27 3ht4H1 GLY 270 H -0.17 0.50 0.15 -0.55 8.43 8.36 3ht4H1 GLY 270 HA2 -0.07 -0.08 0.37 -0.51 4.01 3.73 3ht4H1 GLY 270 HA3 -0.06 0.16 0.75 -0.51 4.01 4.34 3ht4H1 ALA 271 H -0.08 0.11 -0.02 -0.55 8.40 7.87 3ht4H1 ALA 271 HA -0.08 -0.02 0.30 -0.75 4.34 3.78 3ht4H1 ALA 271 HB3 -0.10 0.06 -0.16 -0.04 1.41 1.17 3ht4H1 SER 272 H -0.07 0.03 0.20 -0.55 8.46 8.08 3ht4H1 SER 272 HA -0.06 0.11 0.67 -0.75 4.49 4.46 3ht4H1 SER 272 HB2 -0.02 -0.04 0.20 -0.04 3.95 4.04 3ht4H1 SER 272 HB3 -0.04 0.05 0.16 -0.04 3.93 4.06 3ht4H1 LEU 273 H -0.14 0.25 0.24 -0.55 8.37 8.17 3ht4H1 LEU 273 HA -0.44 0.05 0.32 -0.75 4.35 3.52 3ht4H1 LEU 273 HB2 -0.20 0.24 0.45 -0.04 1.64 2.09 3ht4H1 LEU 273 HB3 -0.69 -0.06 0.24 -0.04 1.64 1.09 3ht4H1 LEU 273 HG -0.16 -0.01 -0.29 -0.04 1.64 1.14 3ht4H1 LEU 273 HD13 -0.09 0.02 -0.01 -0.04 0.93 0.80 3ht4H1 LEU 273 HD23 -0.25 0.00 0.04 -0.04 0.89 0.64 3ht4H1 TYR 274 H -0.26 0.21 0.06 -0.55 8.29 7.74 3ht4H1 TYR 274 HA 0.02 0.11 -0.11 -0.75 4.56 3.82 3ht4H1 TYR 274 HB2 0.00 0.05 0.10 -0.04 3.06 3.18 3ht4H1 TYR 274 HB3 0.01 0.04 0.13 -0.04 2.98 3.11 3ht4H1 TYR 274 HD2 0.01 0.05 -0.01 -0.04 7.15 7.16 3ht4H1 TYR 274 HE2 0.01 0.02 -0.00 -0.04 6.85 6.83 3ht4H1 SER 275 H 0.01 0.31 -0.44 -0.55 8.46 7.79 3ht4H1 SER 275 HA 0.04 0.11 0.52 -0.75 4.49 4.40 3ht4H1 SER 275 HB2 -0.01 0.04 0.10 -0.04 3.95 4.03 3ht4H1 SER 275 HB3 -0.01 0.03 -0.01 -0.04 3.93 3.90 3ht4H1 LEU 276 H 0.04 0.16 0.05 -0.55 8.37 8.08 3ht4H1 LEU 276 HA 0.07 0.05 0.17 -0.75 4.35 3.89 3ht4H1 LEU 276 HB2 0.18 -0.01 0.21 -0.04 1.64 1.98 3ht4H1 LEU 276 HB3 0.38 0.14 0.10 -0.04 1.64 2.21 3ht4H1 LEU 276 HG 0.07 -0.02 0.14 -0.04 1.64 1.78 3ht4H1 LEU 276 HD13 0.15 0.10 -0.08 -0.04 0.93 1.06 3ht4H1 LEU 276 HD23 0.08 -0.02 -0.02 -0.04 0.89 0.89 3ht4H1 GLN 277 H -0.12 0.11 -0.09 -0.55 8.47 7.83 3ht4H1 GLN 277 HA -1.54 -0.03 0.15 -0.75 4.36 2.18 3ht4H1 GLN 277 HB2 -0.43 -0.03 0.06 -0.04 2.15 1.71 3ht4H1 GLN 277 HB3 -0.19 0.06 0.03 -0.04 2.02 1.88 3ht4H1 GLN 277 HG2 -0.23 0.02 -0.20 -0.04 2.40 1.95 3ht4H1 GLN 277 HG3 -0.62 -0.05 0.02 -0.04 2.39 1.70 3ht4H1 GLN 277 HE21 -0.00 -0.02 -0.04 -0.04 6.97 6.87 3ht4H1 GLN 277 HE22 -0.05 0.03 -0.08 -0.04 7.69 7.55 3ht4H1 GLU 278 H -0.06 0.58 -0.33 -0.55 8.60 8.24 3ht4H1 GLU 278 HA -0.02 0.00 0.23 -0.75 4.29 3.75 3ht4H1 GLU 278 HB2 0.02 -0.02 -0.01 -0.04 2.09 2.04 3ht4H1 GLU 278 HB3 -0.01 -0.02 0.05 -0.04 1.99 1.97 3ht4H1 GLU 278 HG2 0.01 0.51 0.19 -0.04 2.34 3.01 3ht4H1 GLU 278 HG3 0.03 -0.08 0.08 -0.04 2.34 2.32 3ht4H1 TYR 280 HA 0.41 -0.05 0.27 -0.75 4.56 4.43 3ht4H1 TYR 280 HB2 0.08 0.06 -0.03 -0.04 3.06 3.14 3ht4H1 TYR 280 HB3 0.48 -0.03 -0.13 -0.04 2.98 3.25 3ht4H1 TYR 280 HD2 0.07 -0.00 -0.13 -0.04 7.15 7.04 3ht4H1 TYR 280 HE2 0.00 0.04 -0.08 -0.04 6.85 6.77 3ht4H1 GLN 281 H 0.20 0.52 -0.21 -0.55 8.47 8.42 3ht4H1 GLN 281 HA 0.21 -0.03 0.34 -0.75 4.36 4.13 3ht4H1 GLN 281 HB2 0.06 -0.01 0.08 -0.04 2.15 2.24 3ht4H1 GLN 281 HB3 0.06 0.09 0.10 -0.04 2.02 2.23 3ht4H1 GLN 281 HG2 0.08 0.02 -0.25 -0.04 2.40 2.21 3ht4H1 GLN 281 HG3 0.07 -0.05 -0.02 -0.04 2.39 2.35 3ht4H1 GLN 281 HE21 0.00 -0.02 -0.03 -0.04 6.97 6.87 3ht4H1 GLN 281 HE22 0.02 -0.02 -0.04 -0.04 7.69 7.61 3ht4H1 GLY 282 H 0.15 0.53 0.04 -0.55 8.43 8.60 3ht4H1 GLY 282 HA2 0.12 -0.02 0.34 -0.51 4.01 3.94 3ht4H1 GLY 282 HA3 0.16 0.19 0.26 -0.51 4.01 4.10 3ht4H1 PHE 283 H 0.39 0.19 -0.26 -0.55 8.34 8.10 3ht4H1 PHE 283 HA 0.14 -0.01 0.39 -0.75 4.62 4.39 3ht4H1 PHE 283 HB2 0.22 0.02 0.10 -0.04 3.15 3.45 3ht4H1 PHE 283 HB3 0.36 0.15 0.15 -0.04 3.06 3.68 3ht4H1 PHE 283 HD2 0.20 0.01 -0.00 -0.04 7.28 7.44 3ht4H1 PHE 283 HE2 -0.15 -0.02 -0.12 -0.04 7.38 7.04 3ht4H1 PHE 283 HZ -0.37 0.03 -0.08 -0.04 7.32 6.86 3ht4H1 PHE 284 H 0.42 0.72 -0.03 -0.55 8.34 8.89 3ht4H1 PHE 284 HA -0.28 -0.07 0.18 -0.75 4.62 3.71 3ht4H1 PHE 284 HB2 -0.25 -0.01 0.07 -0.04 3.15 2.91 3ht4H1 PHE 284 HB3 -0.06 0.13 0.14 -0.04 3.06 3.24 3ht4H1 PHE 284 HD2 -0.45 0.01 -0.09 -0.04 7.28 6.71 3ht4H1 PHE 284 HE2 -0.19 -0.04 0.01 -0.04 7.38 7.12 3ht4H1 PHE 284 HZ -0.14 -0.02 0.00 -0.04 7.32 7.12 3ht4H1 LEU 285 H 0.07 0.48 -0.51 -0.55 8.37 7.87 3ht4H1 LEU 285 HA -0.18 0.02 0.65 -0.75 4.35 4.08 3ht4H1 LEU 285 HB2 0.04 0.18 0.15 -0.04 1.64 1.97 3ht4H1 LEU 285 HB3 -0.01 -0.15 0.12 -0.04 1.64 1.55 3ht4H1 LEU 285 HG 0.13 0.12 -0.04 -0.04 1.64 1.81 3ht4H1 LEU 285 HD13 0.01 -0.02 -0.01 -0.04 0.93 0.87 3ht4H1 LEU 285 HD23 -0.01 -0.02 -0.03 -0.04 0.89 0.80 3ht4H1 ALA 286 H -0.11 0.73 -0.01 -0.55 8.40 8.47 3ht4H1 ALA 286 HA 0.02 -0.13 0.29 -0.75 4.34 3.76 3ht4H1 ALA 286 HB3 0.08 0.00 0.07 -0.04 1.41 1.52 3ht4H1 PRO 287 HA -0.34 0.10 0.36 -0.51 4.44 4.04 3ht4H1 PRO 287 HB2 -0.39 -0.03 0.01 -0.04 2.28 1.83 3ht4H1 PRO 287 HB3 -0.46 0.05 0.10 -0.04 2.02 1.68 3ht4H1 PRO 287 HG2 -0.80 0.06 -0.14 -0.04 2.03 1.10 3ht4H1 PRO 287 HG3 -2.30 0.02 -0.06 -0.04 2.03 -0.35 3ht4H1 PRO 287 HD2 -0.59 0.21 -0.42 -0.04 3.68 2.83 3ht4H1 PRO 287 HD3 -1.08 0.15 0.05 -0.04 3.65 2.72 3ht4H1 HIS 288 H -0.14 0.36 -0.22 -0.55 8.41 7.87 3ht4H1 HIS 288 HA -0.11 -0.01 0.57 -0.75 4.63 4.32 3ht4H1 HIS 288 HB2 -0.17 -0.02 0.15 -0.04 3.26 3.18 3ht4H1 HIS 288 HB3 -0.11 0.08 0.26 -0.04 3.20 3.39 3ht4H1 HIS 288 HD2 -0.03 0.08 -0.28 -0.04 6.97 6.69 3ht4H1 HIS 288 HE1 -0.04 -0.03 0.01 -0.04 7.75 7.64 3ht4H1 VAL 289 H 0.11 0.40 0.09 -0.55 8.24 8.28 3ht4H1 VAL 289 HA 0.14 0.07 0.48 -0.75 4.13 4.06 3ht4H1 VAL 289 HB 0.06 0.02 0.10 -0.04 2.12 2.26 3ht4H1 VAL 289 HG13 0.09 -0.04 -0.20 -0.04 0.97 0.78 3ht4H1 VAL 289 HG23 0.06 0.04 0.06 -0.04 0.95 1.07 3ht4H1 ALA 290 H 0.04 0.83 0.01 -0.55 8.40 8.74 3ht4H1 ALA 290 HA 0.09 -0.11 0.37 -0.75 4.34 3.93 3ht4H1 ALA 290 HB3 0.09 -0.01 -0.02 -0.04 1.41 1.43 3ht4H1 GLY 291 H -0.05 0.58 -0.21 -0.55 8.43 8.21 3ht4H1 GLY 291 HA2 -0.02 -0.04 0.32 -0.51 4.01 3.76 3ht4H1 GLY 291 HA3 -0.11 0.04 0.40 -0.51 4.01 3.83 3ht4H1 GLN 292 H -0.04 0.67 -0.24 -0.55 8.47 8.31 3ht4H1 GLN 292 HA -0.01 -0.13 0.41 -0.75 4.36 3.87 3ht4H1 GLN 292 HB2 0.06 0.36 0.16 -0.04 2.15 2.70 3ht4H1 GLN 292 HB3 0.08 -0.44 -0.09 -0.04 2.02 1.53 3ht4H1 GLN 292 HG2 -0.08 0.40 -0.04 -0.04 2.40 2.64 3ht4H1 GLN 292 HG3 0.16 0.13 0.10 -0.04 2.39 2.73 3ht4H1 GLN 292 HE21 -0.32 -0.06 0.00 -0.04 6.97 6.55 3ht4H1 GLN 292 HE22 -0.87 0.14 -0.02 -0.04 7.69 6.89 3ht4H1 ALA 293 H 0.06 0.52 0.04 -0.55 8.40 8.47 3ht4H1 ALA 293 HA 0.05 0.01 0.14 -0.75 4.34 3.79 3ht4H1 ALA 293 HB3 0.08 0.02 0.05 -0.04 1.41 1.52 3ht4H1 LEU 294 H 0.05 0.38 -0.59 -0.55 8.37 7.66 3ht4H1 LEU 294 HA 0.07 0.03 0.39 -0.75 4.35 4.09 3ht4H1 LEU 294 HB2 0.05 0.00 0.02 -0.04 1.64 1.67 3ht4H1 LEU 294 HB3 0.02 0.22 0.21 -0.04 1.64 2.05 3ht4H1 LEU 294 HG 0.06 -0.04 -0.21 -0.04 1.64 1.40 3ht4H1 LEU 294 HD13 0.06 -0.01 0.03 -0.04 0.93 0.97 3ht4H1 LEU 294 HD23 0.03 -0.01 0.06 -0.04 0.89 0.93 3ht4H1 LYS 295 H 0.02 0.59 0.15 -0.55 8.42 8.63 3ht4H1 LYS 295 HA 0.06 0.04 0.48 -0.75 4.32 4.15 3ht4H1 LYS 295 HB2 -0.02 0.07 0.19 -0.04 1.87 2.07 3ht4H1 LYS 295 HB3 -0.71 -0.08 0.07 -0.04 1.79 1.03 3ht4H1 LYS 295 HG2 -0.39 -0.02 0.13 -0.04 1.46 1.14 3ht4H1 LYS 295 HG3 -0.18 0.19 0.14 -0.04 1.46 1.57 3ht4H1 LYS 295 HD2 -0.77 -0.06 0.02 -0.04 1.69 0.85 3ht4H1 LYS 295 HD3 -0.29 -0.02 0.01 -0.04 1.68 1.34 3ht4H1 LYS 295 HE2 -0.21 0.13 -0.04 -0.04 2.99 2.83 3ht4H1 LYS 295 HE3 -0.40 -0.07 0.01 -0.04 2.99 2.49 3ht4H1 GLY 296 H 0.16 0.45 -0.38 -0.55 8.43 8.12 3ht4H1 GLY 296 HA2 -0.06 -0.04 0.40 -0.51 4.01 3.80 3ht4H1 GLY 296 HA3 -0.06 0.08 0.25 -0.51 4.01 3.77 3ht4H1 ALA 297 H 0.09 0.71 0.10 -0.55 8.40 8.74 3ht4H1 ALA 297 HA 0.09 0.08 0.58 -0.75 4.34 4.33 3ht4H1 ALA 297 HB3 0.07 0.04 0.14 -0.04 1.41 1.62 3ht4H1 ILE 298 H 0.19 0.69 -0.14 -0.55 8.25 8.44 3ht4H1 ILE 298 HA 0.23 0.01 0.40 -0.75 4.18 4.07 3ht4H1 ILE 298 HB 0.47 0.26 0.24 -0.04 1.89 2.81 3ht4H1 ILE 298 HG12 0.22 0.06 0.11 -0.04 1.49 1.84 3ht4H1 ILE 298 HG13 0.19 0.24 0.05 -0.04 1.21 1.66 3ht4H1 ILE 298 HG23 0.30 -0.04 -0.08 -0.04 0.93 1.07 3ht4H1 ILE 298 HD13 0.30 -0.05 -0.00 -0.04 0.88 1.09 3ht4H1 PHE 299 H 0.40 0.39 -0.22 -0.55 8.34 8.35 3ht4H1 PHE 299 HA 0.06 -0.06 0.48 -0.75 4.62 4.35 3ht4H1 PHE 299 HB2 0.24 -0.01 0.10 -0.04 3.15 3.44 3ht4H1 PHE 299 HB3 -0.03 0.13 0.16 -0.04 3.06 3.28 3ht4H1 PHE 299 HD2 0.01 0.05 -0.22 -0.04 7.28 7.08 3ht4H1 PHE 299 HE2 -0.45 -0.01 -0.06 -0.04 7.38 6.83 3ht4H1 PHE 299 HZ -0.82 -0.04 -0.01 -0.04 7.32 6.42 3ht4H1 THR 300 H 0.26 1.00 0.16 -0.55 8.28 9.14 3ht4H1 THR 300 HA 0.29 -0.09 0.31 -0.75 4.39 4.15 3ht4H1 THR 300 HB 0.12 0.13 0.18 -0.04 4.32 4.71 3ht4H1 THR 300 HG23 0.15 -0.01 -0.00 -0.04 1.22 1.32 3ht4H1 ALA 301 H 0.10 0.37 -0.88 -0.55 8.40 7.45 3ht4H1 ALA 301 HA 0.02 0.09 0.47 -0.75 4.34 4.16 3ht4H1 ALA 301 HB3 0.15 0.02 0.11 -0.04 1.41 1.65 3ht4H1 ALA 302 H 0.03 0.45 0.24 -0.55 8.40 8.57 3ht4H1 ALA 302 HA -0.00 -0.05 0.33 -0.75 4.34 3.86 3ht4H1 ALA 302 HB3 -0.70 0.00 0.16 -0.04 1.41 0.83 3ht4H1 PHE 303 H -0.11 0.48 -0.65 -0.55 8.34 7.50 3ht4H1 PHE 303 HA -0.27 0.02 0.48 -0.75 4.62 4.09 3ht4H1 PHE 303 HB2 -0.99 -0.01 0.01 -0.04 3.15 2.12 3ht4H1 PHE 303 HB3 -0.22 0.10 -0.02 -0.04 3.06 2.88 3ht4H1 PHE 303 HD2 -0.03 0.01 -0.09 -0.04 7.28 7.13 3ht4H1 PHE 303 HE2 0.09 -0.02 -0.10 -0.04 7.38 7.31 3ht4H1 PHE 303 HZ 0.09 0.01 -0.03 -0.04 7.32 7.35 3ht4H1 LEU 304 H 0.00 0.48 -0.01 -0.55 8.37 8.30 3ht4H1 LEU 304 HA -0.21 0.02 0.40 -0.75 4.35 3.80 3ht4H1 LEU 304 HB2 -0.08 0.30 0.21 -0.04 1.64 2.02 3ht4H1 LEU 304 HB3 -0.21 -0.02 -0.01 -0.04 1.64 1.36 3ht4H1 LEU 304 HG -0.11 0.02 0.01 -0.04 1.64 1.51 3ht4H1 LEU 304 HD13 0.03 -0.02 -0.04 -0.04 0.93 0.86 3ht4H1 LEU 304 HD23 0.28 0.03 -0.01 -0.04 0.89 1.15 3ht4H1 GLU 305 H -0.08 0.38 -0.39 -0.55 8.60 7.96 3ht4H1 GLU 305 HA -0.09 0.15 0.69 -0.75 4.29 4.28 3ht4H1 GLU 305 HB2 -0.01 0.02 0.02 -0.04 2.09 2.08 3ht4H1 GLU 305 HB3 -0.01 0.06 0.04 -0.04 1.99 2.05 3ht4H1 GLU 305 HG2 -0.00 0.01 -0.09 -0.04 2.34 2.21 3ht4H1 GLU 305 HG3 -0.03 0.05 0.11 -0.04 2.34 2.43 3ht4H1 LYS 306 H -0.12 0.40 -0.13 -0.55 8.42 8.01 3ht4H1 LYS 306 HA -0.07 -0.01 0.40 -0.75 4.32 3.88 3ht4H1 LYS 306 HB2 -0.13 0.19 0.28 -0.04 1.87 2.17 3ht4H1 LYS 306 HB3 -0.13 -0.01 -0.02 -0.04 1.79 1.59 3ht4H1 LYS 306 HG2 -0.06 -0.05 0.05 -0.04 1.46 1.36 3ht4H1 LYS 306 HG3 -0.06 -0.04 0.11 -0.04 1.46 1.43 3ht4H1 LYS 306 HD2 -0.05 -0.06 0.04 -0.04 1.69 1.58 3ht4H1 LYS 306 HD3 -0.09 0.24 0.15 -0.04 1.68 1.94 3ht4H1 LYS 306 HE2 -0.12 -0.06 0.03 -0.04 2.99 2.80 3ht4H1 LYS 306 HE3 -0.13 -0.01 0.01 -0.04 2.99 2.81 3ht4H1 LEU 307 H -0.18 0.16 -0.66 -0.55 8.37 7.14 3ht4H1 LEU 307 HA -0.11 0.09 0.70 -0.75 4.35 4.28 3ht4H1 LEU 307 HB2 -0.16 0.11 -0.01 -0.04 1.64 1.53 3ht4H1 LEU 307 HB3 -0.11 -0.04 0.09 -0.04 1.64 1.53 3ht4H1 LEU 307 HG -0.42 0.07 -0.06 -0.04 1.64 1.19 3ht4H1 LEU 307 HD13 -0.41 -0.03 -0.05 -0.04 0.93 0.40 3ht4H1 LEU 307 HD23 -0.17 -0.01 -0.04 -0.04 0.89 0.62 3ht4H1 GLY 308 H -0.10 0.29 -0.36 -0.55 8.43 7.71 3ht4H1 GLY 308 HA2 -0.06 0.03 0.18 -0.51 4.01 3.65 3ht4H1 GLY 308 HA3 -0.05 0.12 0.62 -0.51 4.01 4.18 3ht4H1 ASN 310 HA -0.07 -0.14 0.31 -0.75 4.76 4.11 3ht4H1 ASN 310 HB2 -0.09 -0.02 0.12 -0.04 2.88 2.85 3ht4H1 ASN 310 HB3 -0.09 0.06 -0.06 -0.04 2.79 2.66 3ht4H1 ASN 310 HD21 -0.04 -0.04 0.02 -0.04 7.03 6.93 3ht4H1 ASN 310 HD22 -0.06 0.05 0.02 -0.04 7.74 7.70 3ht4H1 THR 311 H -0.06 -0.00 0.13 -0.55 8.28 7.80 3ht4H1 THR 311 HA -0.15 0.34 1.04 -0.75 4.39 4.86 3ht4H1 THR 311 HB -0.04 0.17 0.06 -0.04 4.32 4.46 3ht4H1 THR 311 HG23 -0.07 -0.01 0.05 -0.04 1.22 1.15 3ht4H1 SER 312 H -0.14 0.55 0.10 -0.55 8.46 8.42 3ht4H1 SER 312 HA -0.10 -0.15 0.47 -0.75 4.49 3.96 3ht4H1 SER 312 HB2 -0.14 0.03 -0.49 -0.04 3.95 3.31 3ht4H1 SER 312 HB3 -0.20 -0.01 -0.04 -0.04 3.93 3.64 3ht4H1 PRO 313 HA -0.08 0.02 0.35 -0.51 4.44 4.22 3ht4H1 PRO 313 HB2 -0.04 0.20 -0.03 -0.04 2.28 2.37 3ht4H1 PRO 313 HB3 -0.07 -0.03 0.09 -0.04 2.02 1.98 3ht4H1 PRO 313 HG2 -0.04 0.04 0.12 -0.04 2.03 2.11 3ht4H1 PRO 313 HG3 -0.07 -0.06 0.07 -0.04 2.03 1.92 3ht4H1 PRO 313 HD2 -0.06 0.16 0.45 -0.04 3.68 4.19 3ht4H1 PRO 313 HD3 -0.09 0.09 0.16 -0.04 3.65 3.77 3ht4H1 ALA 314 H -0.09 0.08 0.07 -0.55 8.40 7.92 3ht4H1 ALA 314 HA -0.02 0.09 0.50 -0.75 4.34 4.16 3ht4H1 ALA 314 HB3 -0.16 0.00 0.09 -0.04 1.41 1.30 3ht4H1 TRP 315 H 0.13 0.10 0.15 -0.55 7.97 7.81 3ht4H1 TRP 315 HA -0.01 0.20 0.34 -0.75 4.62 4.41 3ht4H1 TRP 315 HB2 -0.01 0.12 0.21 -0.04 3.23 3.51 3ht4H1 TRP 315 HB3 -0.04 -0.11 0.26 -0.04 3.23 3.31 3ht4H1 TRP 315 HD1 -0.05 0.01 0.10 -0.04 7.22 7.24 3ht4H1 TRP 315 HE1 -0.04 0.03 0.04 -0.04 10.20 10.19 3ht4H1 TRP 315 HE3 -0.02 0.03 -0.25 -0.04 7.59 7.31 3ht4H1 TRP 315 HZ2 -0.03 0.00 0.01 -0.04 7.44 7.38 3ht4H1 TRP 315 HZ3 -0.03 -0.11 0.02 -0.04 7.13 6.96 3ht4H1 TRP 315 HH2 -0.03 0.03 0.04 -0.04 7.19 7.19 3ht4H1 ASN 316 H -1.14 0.00 -0.18 -0.55 8.53 6.66 3ht4H1 ASN 316 HA -0.57 0.20 0.64 -0.75 4.76 4.27 3ht4H1 ASN 316 HB2 -0.86 0.01 0.15 -0.04 2.88 2.14 3ht4H1 ASN 316 HB3 -3.31 -0.01 0.03 -0.04 2.79 -0.53 3ht4H1 ASN 316 HD21 -0.36 -0.00 -0.02 -0.04 7.03 6.61 3ht4H1 ASN 316 HD22 -0.46 0.01 0.01 -0.04 7.74 7.26 3ht4H1 ALA 317 H -0.24 0.31 -0.58 -0.55 8.40 7.34 3ht4H1 ALA 317 HA -0.16 0.11 0.67 -0.75 4.34 4.21 3ht4H1 ALA 317 HB3 -0.12 0.02 0.02 -0.04 1.41 1.29 3ht4H1 PRO 318 HA -0.02 0.03 0.48 -0.51 4.44 4.41 3ht4H1 PRO 318 HB2 -0.02 -0.03 0.09 -0.04 2.28 2.27 3ht4H1 PRO 318 HB3 -0.02 0.01 0.09 -0.04 2.02 2.06 3ht4H1 PRO 318 HG2 -0.04 -0.01 0.11 -0.04 2.03 2.04 3ht4H1 PRO 318 HG3 -0.04 0.05 0.11 -0.04 2.03 2.11 3ht4H1 PRO 318 HD2 -0.08 0.04 0.22 -0.04 3.68 3.83 3ht4H1 PRO 318 HD3 -0.11 0.28 0.31 -0.04 3.65 4.09 3ht4H1 ARG 319 H 0.00 0.16 0.25 -0.55 8.46 8.32 3ht4H1 ARG 319 HA -0.01 0.12 0.91 -0.75 4.34 4.61 3ht4H1 ARG 319 HB2 0.03 -0.01 0.17 -0.04 1.90 2.05 3ht4H1 ARG 319 HB3 0.01 0.03 0.18 -0.04 1.80 1.98 3ht4H1 ARG 319 HG2 -0.01 -0.04 -0.07 -0.04 1.67 1.52 3ht4H1 ARG 319 HG3 0.00 0.26 0.04 -0.04 1.67 1.94 3ht4H1 ARG 319 HD2 0.06 -0.06 0.05 -0.04 3.22 3.22 3ht4H1 ARG 319 HD3 0.02 0.03 0.06 -0.04 3.22 3.29 3ht4H1 THR 320 H 0.01 0.15 0.10 -0.55 8.28 7.98 3ht4H1 THR 320 HA 0.03 0.20 0.85 -0.75 4.39 4.72 3ht4H1 THR 320 HB 0.04 -0.13 -0.13 -0.04 4.32 4.05 3ht4H1 THR 320 HG23 0.03 0.04 -0.45 -0.04 1.22 0.80 3ht4H1 ASP 321 H 0.02 0.15 0.06 -0.55 8.40 8.09 3ht4H1 ASP 321 HA 0.08 0.21 0.47 -0.75 4.63 4.63 3ht4H1 ASP 321 HB2 0.12 0.02 0.13 -0.04 2.71 2.94 3ht4H1 ASP 321 HB3 0.08 0.09 -0.24 -0.04 2.70 2.59 3ht4H1 LEU 322 H 0.07 0.19 0.18 -0.55 8.37 8.27 3ht4H1 LEU 322 HA 0.03 0.27 0.76 -0.75 4.35 4.66 3ht4H1 LEU 322 HB2 0.15 -0.06 0.14 -0.04 1.64 1.83 3ht4H1 LEU 322 HB3 0.08 -0.03 0.15 -0.04 1.64 1.80 3ht4H1 LEU 322 HG 0.13 0.02 -0.10 -0.04 1.64 1.65 3ht4H1 LEU 322 HD13 0.12 -0.03 0.01 -0.04 0.93 1.00 3ht4H1 LEU 322 HD23 0.07 0.04 -0.27 -0.04 0.89 0.69 3ht4H1 ILE 323 H -0.08 0.02 -0.17 -0.55 8.25 7.47 3ht4H1 ILE 323 HA -0.17 0.14 0.85 -0.75 4.18 4.24 3ht4H1 ILE 323 HB -0.10 -0.00 0.06 -0.04 1.89 1.80 3ht4H1 ILE 323 HG12 -0.29 -0.15 0.02 -0.04 1.49 1.03 3ht4H1 ILE 323 HG13 -0.19 -0.16 0.06 -0.04 1.21 0.88 3ht4H1 ILE 323 HG23 -0.07 0.07 -0.04 -0.04 0.93 0.85 3ht4H1 ILE 323 HD13 -0.95 0.03 -0.02 -0.04 0.88 -0.10 3ht4H1 GLN 324 H -0.02 0.21 0.19 -0.55 8.47 8.30 3ht4H1 GLN 324 HA -0.12 0.25 0.86 -0.75 4.36 4.60 3ht4H1 GLN 324 HB2 -0.02 0.02 -0.11 -0.04 2.15 2.01 3ht4H1 GLN 324 HB3 -0.01 0.01 -0.04 -0.04 2.02 1.94 3ht4H1 GLN 324 HG2 0.01 0.01 0.00 -0.04 2.40 2.38 3ht4H1 GLN 324 HG3 -0.08 -0.03 -0.29 -0.04 2.39 1.95 3ht4H1 GLN 324 HE21 -0.06 -0.14 0.01 -0.04 6.97 6.75 3ht4H1 GLN 324 HE22 -0.09 0.08 -0.07 -0.04 7.69 7.57 3ht4H1 SER 325 H -0.24 0.59 0.36 -0.55 8.46 8.62 3ht4H1 SER 325 HA -0.40 0.09 1.07 -0.75 4.49 4.50 3ht4H1 SER 325 HB2 -0.79 0.05 0.04 -0.04 3.95 3.21 3ht4H1 SER 325 HB3 -1.66 -0.08 -0.19 -0.04 3.93 1.97 3ht4H1 VAL 326 H -0.30 0.69 0.45 -0.55 8.24 8.54 3ht4H1 VAL 326 HA -0.29 0.26 0.78 -0.75 4.13 4.12 3ht4H1 VAL 326 HB -0.62 0.06 -0.01 -0.04 2.12 1.51 3ht4H1 VAL 326 HG13 -0.22 -0.01 -0.14 -0.04 0.97 0.56 3ht4H1 VAL 326 HG23 -0.69 -0.03 -0.09 -0.04 0.95 0.10 3ht4H1 GLN 327 H -0.33 0.58 0.21 -0.55 8.47 8.39 3ht4H1 GLN 327 HA -0.16 0.11 0.97 -0.75 4.36 4.53 3ht4H1 GLN 327 HB2 -0.14 0.13 0.25 -0.04 2.15 2.36 3ht4H1 GLN 327 HB3 -0.07 -0.03 0.03 -0.04 2.02 1.91 3ht4H1 GLN 327 HG2 -0.09 -0.05 -0.14 -0.04 2.40 2.08 3ht4H1 GLN 327 HG3 -0.15 0.01 -0.20 -0.04 2.39 2.01 3ht4H1 GLN 327 HE21 -0.07 -0.05 -0.06 -0.04 6.97 6.75 3ht4H1 GLN 327 HE22 -0.10 0.04 -0.17 -0.04 7.69 7.42 3ht4H1 PHE 328 H 0.06 0.57 0.32 -0.55 8.34 8.73 3ht4H1 PHE 328 HA -0.07 0.13 0.35 -0.75 4.62 4.28 3ht4H1 PHE 328 HB2 0.00 0.16 0.15 -0.04 3.15 3.42 3ht4H1 PHE 328 HB3 -0.04 -0.14 0.12 -0.04 3.06 2.96 3ht4H1 PHE 328 HD2 -0.08 0.11 -0.01 -0.04 7.28 7.25 3ht4H1 PHE 328 HE2 -0.53 -0.03 -0.10 -0.04 7.38 6.67 3ht4H1 PHE 328 HZ -1.27 -0.01 -0.16 -0.04 7.32 5.84 3ht4H1 ASP 329 H 0.12 0.34 -0.20 -0.55 8.40 8.12 3ht4H1 ASP 329 HA 0.15 -0.03 0.25 -0.75 4.63 4.24 3ht4H1 ASP 329 HB2 0.04 0.22 -0.16 -0.04 2.71 2.77 3ht4H1 ASP 329 HB3 0.05 -0.13 0.19 -0.04 2.70 2.78 3ht4H1 ASP 330 H 0.18 0.22 -0.64 -0.55 8.40 7.61 3ht4H1 ASP 330 HA -0.22 -0.00 0.51 -0.75 4.63 4.16 3ht4H1 ASP 330 HB2 -0.01 0.22 -0.24 -0.04 2.71 2.65 3ht4H1 ASP 330 HB3 -0.02 0.06 -0.15 -0.04 2.70 2.55 3ht4H1 LYS 331 H -0.72 0.11 0.06 -0.55 8.42 7.32 3ht4H1 LYS 331 HA -0.53 0.16 0.39 -0.75 4.32 3.58 3ht4H1 LYS 331 HB2 -0.59 0.02 0.04 -0.04 1.87 1.30 3ht4H1 LYS 331 HB3 -0.30 -0.09 0.16 -0.04 1.79 1.51 3ht4H1 LYS 331 HG2 -0.10 0.05 -0.30 -0.04 1.46 1.06 3ht4H1 LYS 331 HG3 -0.05 0.04 -0.06 -0.04 1.46 1.35 3ht4H1 LYS 331 HD2 0.01 0.00 -0.00 -0.04 1.69 1.66 3ht4H1 LYS 331 HD3 -0.04 -0.03 -0.01 -0.04 1.68 1.56 3ht4H1 LYS 331 HE2 0.01 0.01 -0.03 -0.04 2.99 2.94 3ht4H1 LYS 331 HE3 0.05 0.01 -0.02 -0.04 2.99 2.99 3ht4H1 ASP 332 H -0.17 0.03 0.02 -0.55 8.40 7.73 3ht4H1 ASP 332 HA -0.08 0.06 0.28 -0.75 4.63 4.14 3ht4H1 ASP 332 HB2 -0.07 -0.04 0.06 -0.04 2.71 2.62 3ht4H1 ASP 332 HB3 -0.05 0.07 -0.04 -0.04 2.70 2.64 3ht4H1 ARG 333 H -0.09 -0.01 -0.46 -0.55 8.46 7.35 3ht4H1 ARG 333 HA -0.04 0.03 0.20 -0.75 4.34 3.78 3ht4H1 ARG 333 HB2 0.00 -0.03 -0.04 -0.04 1.90 1.80 3ht4H1 ARG 333 HB3 0.01 0.12 -0.05 -0.04 1.80 1.84 3ht4H1 ARG 333 HG2 0.11 0.01 0.03 -0.04 1.67 1.78 3ht4H1 ARG 333 HG3 0.08 -0.11 -0.01 -0.04 1.67 1.58 3ht4H1 ARG 333 HD2 0.16 0.36 0.10 -0.04 3.22 3.80 3ht4H1 ARG 333 HD3 0.19 -0.01 0.00 -0.04 3.22 3.37 3ht4H1 ILE 335 HA -0.02 -0.08 0.29 -0.75 4.18 3.62 3ht4H1 ILE 335 HB -0.04 0.09 0.03 -0.04 1.89 1.92 3ht4H1 ILE 335 HG12 0.04 -0.03 -0.02 -0.04 1.49 1.43 3ht4H1 ILE 335 HG13 0.00 0.07 0.02 -0.04 1.21 1.25 3ht4H1 ILE 335 HG23 0.01 -0.01 -0.19 -0.04 0.93 0.70 3ht4H1 ILE 335 HD13 0.04 -0.04 -0.04 -0.04 0.88 0.80 3ht4H1 ALA 336 H -0.07 0.60 -0.68 -0.55 8.40 7.70 3ht4H1 ALA 336 HA -0.02 -0.03 0.33 -0.75 4.34 3.86 3ht4H1 ALA 336 HB3 -0.02 0.02 0.10 -0.04 1.41 1.47 3ht4H1 PHE 337 H -0.06 0.51 0.08 -0.55 8.34 8.32 3ht4H1 PHE 337 HA -0.02 0.07 0.41 -0.75 4.62 4.32 3ht4H1 PHE 337 HB2 -0.19 0.02 0.02 -0.04 3.15 2.95 3ht4H1 PHE 337 HB3 -0.64 0.02 -0.07 -0.04 3.06 2.33 3ht4H1 PHE 337 HD2 0.13 0.01 -0.33 -0.04 7.28 7.04 3ht4H1 PHE 337 HE2 0.19 -0.00 -0.12 -0.04 7.38 7.41 3ht4H1 PHE 337 HZ 0.17 -0.02 -0.05 -0.04 7.32 7.38 3ht4H1 CYS 338 H 0.05 0.18 -0.20 -0.55 8.50 7.98 3ht4H1 CYS 338 HA 0.19 0.03 0.32 -0.75 4.58 4.37 3ht4H1 CYS 338 HB2 0.06 0.08 0.04 -0.04 2.97 3.11 3ht4H1 CYS 338 HB3 0.10 0.09 -0.21 -0.04 2.97 2.91 3ht4H1 GLN 339 H 0.03 0.71 -0.14 -0.55 8.47 8.52 3ht4H1 GLN 339 HA 0.07 0.02 0.50 -0.75 4.36 4.19 3ht4H1 GLN 339 HB2 0.01 0.10 0.08 -0.04 2.15 2.31 3ht4H1 GLN 339 HB3 0.04 -0.08 0.04 -0.04 2.02 1.98 3ht4H1 GLN 339 HG2 0.09 0.25 0.14 -0.04 2.40 2.85 3ht4H1 GLN 339 HG3 0.05 0.10 0.04 -0.04 2.39 2.54 3ht4H1 GLN 339 HE21 -0.08 -0.17 -0.01 -0.04 6.97 6.67 3ht4H1 GLN 339 HE22 0.11 0.57 0.15 -0.04 7.69 8.48 3ht4H1 ALA 340 H -0.02 0.52 -0.18 -0.55 8.40 8.17 3ht4H1 ALA 340 HA 0.12 -0.00 0.44 -0.75 4.34 4.14 3ht4H1 ALA 340 HB3 -0.08 0.04 0.15 -0.04 1.41 1.47 3ht4H1 ILE 341 H -0.05 0.30 -0.72 -0.55 8.25 7.22 3ht4H1 ILE 341 HA -0.09 0.08 0.58 -0.75 4.18 4.00 3ht4H1 ILE 341 HB 0.02 0.18 0.05 -0.04 1.89 2.10 3ht4H1 ILE 341 HG12 -0.59 0.22 -0.15 -0.04 1.49 0.92 3ht4H1 ILE 341 HG13 -0.02 -0.06 -0.17 -0.04 1.21 0.92 3ht4H1 ILE 341 HG23 0.03 -0.02 -0.29 -0.04 0.93 0.61 3ht4H1 ILE 341 HD13 -0.23 -0.03 -0.19 -0.04 0.88 0.39 3ht4H1 GLN 342 H 0.05 0.51 0.02 -0.55 8.47 8.51 3ht4H1 GLN 342 HA 0.07 -0.01 0.44 -0.75 4.36 4.10 3ht4H1 GLN 342 HB2 0.08 -0.08 0.06 -0.04 2.15 2.17 3ht4H1 GLN 342 HB3 0.10 0.12 0.20 -0.04 2.02 2.40 3ht4H1 GLN 342 HG2 0.12 -0.00 -0.21 -0.04 2.40 2.26 3ht4H1 GLN 342 HG3 0.13 0.01 -0.45 -0.04 2.39 2.04 3ht4H1 GLN 342 HE21 0.05 -0.04 -0.02 -0.04 6.97 6.92 3ht4H1 GLN 342 HE22 0.14 0.26 -0.12 -0.04 7.69 7.93 3ht4H1 TYR 343 H 0.16 0.49 -0.26 -0.55 8.29 8.13 3ht4H1 TYR 343 HA 0.05 0.11 0.34 -0.75 4.56 4.29 3ht4H1 TYR 343 HB2 0.02 0.00 0.07 -0.04 3.06 3.11 3ht4H1 TYR 343 HB3 -0.00 0.06 0.08 -0.04 2.98 3.07 3ht4H1 TYR 343 HD2 0.01 0.10 0.02 -0.04 7.15 7.24 3ht4H1 TYR 343 HE2 0.00 -0.05 -0.01 -0.04 6.85 6.76 3ht4H1 ALA 344 H -0.00 0.17 -0.91 -0.55 8.40 7.11 3ht4H1 ALA 344 HA -0.22 0.11 0.74 -0.75 4.34 4.22 3ht4H1 ALA 344 HB3 -0.07 -0.01 0.05 -0.04 1.41 1.34 3ht4H1 SER 345 H 0.01 0.37 -0.47 -0.55 8.46 7.82 3ht4H1 SER 345 HA 0.16 0.09 0.87 -0.75 4.49 4.85 3ht4H1 SER 345 HB2 0.03 0.11 0.02 -0.04 3.95 4.08 3ht4H1 SER 345 HB3 0.07 -0.00 0.20 -0.04 3.93 4.15 3ht4H1 PRO 346 HA -0.08 0.04 0.21 -0.51 4.44 4.10 3ht4H1 PRO 346 HB2 -0.21 -0.02 -0.02 -0.04 2.28 1.99 3ht4H1 PRO 346 HB3 -0.08 -0.02 0.09 -0.04 2.02 1.97 3ht4H1 PRO 346 HG2 -0.36 -0.10 0.08 -0.04 2.03 1.61 3ht4H1 PRO 346 HG3 -0.03 -0.05 0.12 -0.04 2.03 2.02 3ht4H1 PRO 346 HD2 0.01 0.36 0.28 -0.04 3.68 4.29 3ht4H1 PRO 346 HD3 -0.16 0.08 0.26 -0.04 3.65 3.80 3ht4H1 ILE 347 H -0.28 0.14 -0.13 -0.55 8.25 7.42 3ht4H1 ILE 347 HA -0.07 0.07 0.82 -0.75 4.18 4.24 3ht4H1 ILE 347 HB -0.42 -0.05 -0.04 -0.04 1.89 1.34 3ht4H1 ILE 347 HG12 -0.03 -0.12 0.14 -0.04 1.49 1.44 3ht4H1 ILE 347 HG13 -0.10 -0.03 0.04 -0.04 1.21 1.07 3ht4H1 ILE 347 HG23 -0.29 0.11 -0.30 -0.04 0.93 0.41 3ht4H1 ILE 347 HD13 -0.13 0.04 -0.05 -0.04 0.88 0.70 3ht4H1 ASN 348 H 0.14 0.08 0.14 -0.55 8.53 8.34 3ht4H1 ASN 348 HA 0.32 -0.07 0.27 -0.75 4.76 4.52 3ht4H1 ASN 348 HB2 -0.04 0.22 -0.60 -0.04 2.88 2.42 3ht4H1 ASN 348 HB3 0.05 0.05 0.16 -0.04 2.79 3.00 3ht4H1 ASN 348 HD21 -0.41 -0.05 -0.00 -0.04 7.03 6.53 3ht4H1 ASN 348 HD22 -0.24 0.15 0.01 -0.04 7.74 7.62 3ht4H1 SER 349 H 0.27 0.07 -0.04 -0.55 8.46 8.21 3ht4H1 SER 349 HA 0.19 0.30 0.02 -0.75 4.49 4.25 3ht4H1 SER 349 HB2 0.21 -0.15 0.06 -0.04 3.95 4.02 3ht4H1 SER 349 HB3 0.28 0.01 0.02 -0.04 3.93 4.21 3ht4H1 HIS 350 H 0.30 -0.07 -0.53 -0.55 8.41 7.56 3ht4H1 HIS 350 HA 0.00 0.22 0.66 -0.75 4.63 4.76 3ht4H1 HIS 350 HB2 -0.17 -0.01 0.08 -0.04 3.26 3.13 3ht4H1 HIS 350 HB3 -0.05 0.02 -0.02 -0.04 3.20 3.11 3ht4H1 HIS 350 HD2 -0.30 0.00 -0.06 -0.04 6.97 6.56 3ht4H1 HIS 350 HE1 0.14 -0.06 0.01 -0.04 7.75 7.80 3ht4H1 PHE 351 H 0.01 0.39 -0.16 -0.55 8.34 8.03 3ht4H1 PHE 351 HA -0.08 0.06 0.72 -0.75 4.62 4.57 3ht4H1 PHE 351 HB2 -0.09 0.18 0.18 -0.04 3.15 3.38 3ht4H1 PHE 351 HB3 -0.07 -0.01 0.15 -0.04 3.06 3.08 3ht4H1 PHE 351 HD2 -0.22 0.03 0.02 -0.04 7.28 7.07 3ht4H1 PHE 351 HE2 -0.18 -0.05 -0.00 -0.04 7.38 7.11 3ht4H1 PHE 351 HZ -0.07 -0.03 -0.01 -0.04 7.32 7.17 3ht4H1 THR 352 H 0.04 0.36 -0.46 -0.55 8.28 7.66 3ht4H1 THR 352 HA 0.11 0.11 0.18 -0.75 4.39 4.04 3ht4H1 THR 352 HB 0.11 0.07 -0.04 -0.04 4.32 4.41 3ht4H1 THR 352 HG23 0.01 0.01 0.01 -0.04 1.22 1.22 3ht4H1 PRO 353 HA 0.04 0.08 0.76 -0.51 4.44 4.81 3ht4H1 PRO 353 HB2 0.08 -0.00 0.01 -0.04 2.28 2.34 3ht4H1 PRO 353 HB3 0.07 0.04 0.12 -0.04 2.02 2.21 3ht4H1 PRO 353 HG2 0.10 -0.04 0.00 -0.04 2.03 2.05 3ht4H1 PRO 353 HG3 0.09 0.07 0.01 -0.04 2.03 2.15 3ht4H1 PRO 353 HD2 0.10 0.04 0.24 -0.04 3.68 4.02 3ht4H1 PRO 353 HD3 0.11 0.21 0.14 -0.04 3.65 4.06 3ht4H1 TYR 354 H -0.19 0.15 0.11 -0.55 8.29 7.81 3ht4H1 TYR 354 HA 0.02 0.12 -0.17 -0.75 4.56 3.78 3ht4H1 TYR 354 HB2 0.02 -0.32 0.29 -0.04 3.06 3.00 3ht4H1 TYR 354 HB3 0.01 0.09 0.26 -0.04 2.98 3.29 3ht4H1 TYR 354 HD2 0.01 0.04 -0.61 -0.04 7.15 6.56 3ht4H1 TYR 354 HE2 0.01 0.01 -0.10 -0.04 6.85 6.73 3ht4H1 ALA 355 H 0.24 0.07 0.17 -0.55 8.40 8.34 3ht4H1 ALA 355 HA 0.07 0.51 0.65 -0.75 4.34 4.81 3ht4H1 ALA 355 HB3 0.09 -0.03 0.08 -0.04 1.41 1.51 3ht4H1 ASN 356 H 0.04 0.34 0.41 -0.55 8.53 8.78 3ht4H1 ASN 356 HA 0.06 0.03 0.46 -0.75 4.76 4.56 3ht4H1 ASN 356 HB2 0.04 -0.09 0.15 -0.04 2.88 2.94 3ht4H1 ASN 356 HB3 -0.03 0.13 -0.04 -0.04 2.79 2.81 3ht4H1 ASN 356 HD21 -0.01 -0.04 -0.06 -0.04 7.03 6.88 3ht4H1 ASN 356 HD22 0.03 0.10 -0.13 -0.04 7.74 7.69 3ht4H1 TYR 357 H 0.18 0.10 0.10 -0.55 8.29 8.11 3ht4H1 TYR 357 HA 0.03 0.13 0.21 -0.75 4.56 4.18 3ht4H1 TYR 357 HB2 0.01 0.01 0.08 -0.04 3.06 3.12 3ht4H1 TYR 357 HB3 0.00 -0.02 0.11 -0.04 2.98 3.04 3ht4H1 TYR 357 HD2 0.00 0.01 -0.05 -0.04 7.15 7.07 3ht4H1 TYR 357 HE2 -0.02 -0.01 -0.06 -0.04 6.85 6.72 3ht4H1 PRO 359 HA -0.18 -0.09 0.26 -0.51 4.44 3.91 3ht4H1 PRO 359 HB2 -0.16 -0.03 0.06 -0.04 2.28 2.11 3ht4H1 PRO 359 HB3 -0.04 -0.02 0.02 -0.04 2.02 1.93 3ht4H1 PRO 359 HG2 -0.06 -0.00 0.06 -0.04 2.03 1.99 3ht4H1 PRO 359 HG3 0.07 -0.01 -0.00 -0.04 2.03 2.05 3ht4H1 PRO 359 HD2 -0.22 0.01 0.37 -0.04 3.68 3.80 3ht4H1 PRO 359 HD3 -0.42 0.04 -0.38 -0.04 3.65 2.85 3ht4H1 GLY 360 H -0.11 0.15 0.00 -0.55 8.43 7.93 3ht4H1 GLY 360 HA2 -0.19 -0.01 0.35 -0.51 4.01 3.65 3ht4H1 GLY 360 HA3 -0.53 0.15 0.75 -0.51 4.01 3.87 3ht4H1 TYR 361 H -0.50 0.26 -0.27 -0.55 8.29 7.24 3ht4H1 TYR 361 HA -0.02 0.06 0.47 -0.75 4.56 4.32 3ht4H1 TYR 361 HB2 -0.06 0.16 -0.03 -0.04 3.06 3.08 3ht4H1 TYR 361 HB3 -0.03 -0.06 0.08 -0.04 2.98 2.92 3ht4H1 TYR 361 HD2 -0.07 0.04 -0.06 -0.04 7.15 7.02 3ht4H1 TYR 361 HE2 -0.08 -0.02 -0.01 -0.04 6.85 6.70 3ht4H1 GLU 362 H 0.12 0.06 0.18 -0.55 8.60 8.41 3ht4H1 GLU 362 HA 0.08 0.11 0.41 -0.75 4.29 4.14 3ht4H1 GLU 362 HB2 0.06 0.02 0.08 -0.04 2.09 2.20 3ht4H1 GLU 362 HB3 0.06 -0.05 0.14 -0.04 1.99 2.11 3ht4H1 GLU 362 HG2 0.05 0.02 -0.35 -0.04 2.34 2.02 3ht4H1 GLU 362 HG3 0.06 -0.01 -0.00 -0.04 2.34 2.35 3ht4H1 ASP 363 H 0.07 -0.03 0.04 -0.55 8.40 7.93 3ht4H1 ASP 363 HA 0.07 0.08 0.63 -0.75 4.63 4.64 3ht4H1 ASP 363 HB2 0.04 0.03 -0.03 -0.04 2.71 2.71 3ht4H1 ASP 363 HB3 0.05 0.09 -0.07 -0.04 2.70 2.73 3ht4H1 ASP 364 H 0.08 0.08 0.14 -0.55 8.40 8.15 3ht4H1 ASP 364 HA 0.06 0.14 0.49 -0.75 4.63 4.56 3ht4H1 ASP 364 HB2 0.08 -0.03 0.05 -0.04 2.71 2.77 3ht4H1 ASP 364 HB3 0.07 -0.00 0.17 -0.04 2.70 2.90 3ht4H1 VAL 365 H 0.04 0.38 0.35 -0.55 8.24 8.46 3ht4H1 VAL 365 HA 0.05 0.22 0.87 -0.75 4.13 4.52 3ht4H1 VAL 365 HB 0.03 -0.03 0.05 -0.04 2.12 2.13 3ht4H1 VAL 365 HG13 0.01 0.00 -0.18 -0.04 0.97 0.77 3ht4H1 VAL 365 HG23 0.01 0.04 0.02 -0.04 0.95 0.98 3ht4H1 ILE 366 H 0.07 0.33 0.14 -0.55 8.25 8.25 3ht4H1 ILE 366 HA 0.06 0.30 0.35 -0.75 4.18 4.14 3ht4H1 ILE 366 HB 0.07 -0.02 -0.09 -0.04 1.89 1.81 3ht4H1 ILE 366 HG12 0.05 -0.00 -0.02 -0.04 1.49 1.49 3ht4H1 ILE 366 HG13 0.08 0.07 -0.09 -0.04 1.21 1.23 3ht4H1 ILE 366 HG23 0.09 0.04 0.00 -0.04 0.93 1.02 3ht4H1 ILE 366 HD13 0.09 0.03 -0.19 -0.04 0.88 0.77 3ht4H1 ALA 368 HA 0.06 -0.10 0.31 -0.75 4.34 3.85 3ht4H1 ALA 368 HB3 0.08 -0.05 0.01 -0.04 1.41 1.41 3ht4H1 ALA 369 H 0.03 0.18 0.08 -0.55 8.40 8.15 3ht4H1 ALA 369 HA 0.05 0.21 0.97 -0.75 4.34 4.81 3ht4H1 ALA 369 HB3 0.02 -0.03 0.02 -0.04 1.41 1.38 3ht4H1 GLY 370 H 0.04 0.33 -0.01 -0.55 8.43 8.24 3ht4H1 GLY 370 HA2 -0.03 0.20 0.81 -0.51 4.01 4.48 3ht4H1 GLY 370 HA3 0.01 0.11 0.39 -0.51 4.01 4.02 3ht4H1 THR 371 H -0.05 0.21 -0.20 -0.55 8.28 7.69 3ht4H1 THR 371 HA 0.02 0.18 0.88 -0.75 4.39 4.72 3ht4H1 THR 371 HB 0.08 -0.10 -0.02 -0.04 4.32 4.24 3ht4H1 THR 371 HG23 0.08 0.03 -0.12 -0.04 1.22 1.17 3ht4H1 PHE 372 H 0.26 0.14 0.17 -0.55 8.34 8.36 3ht4H1 PHE 372 HA 0.01 0.12 0.69 -0.75 4.62 4.69 3ht4H1 PHE 372 HB2 0.03 0.03 0.16 -0.04 3.15 3.33 3ht4H1 PHE 372 HB3 0.02 0.04 0.04 -0.04 3.06 3.12 3ht4H1 PHE 372 HD2 0.02 -0.01 0.07 -0.04 7.28 7.32 3ht4H1 PHE 372 HE2 -0.01 -0.01 0.01 -0.04 7.38 7.33 3ht4H1 PHE 372 HZ -0.02 0.00 -0.02 -0.04 7.32 7.24 3ht4H1 ILE 373 H 0.15 0.07 -0.03 -0.55 8.25 7.90 3ht4H1 ILE 373 HA 0.08 0.19 0.91 -0.75 4.18 4.61 3ht4H1 ILE 373 HB 0.09 -0.10 0.09 -0.04 1.89 1.93 3ht4H1 ILE 373 HG12 0.13 -0.07 -0.13 -0.04 1.49 1.38 3ht4H1 ILE 373 HG13 0.08 0.19 -0.18 -0.04 1.21 1.26 3ht4H1 ILE 373 HG23 0.06 0.04 -0.03 -0.04 0.93 0.96 3ht4H1 ILE 373 HD13 0.09 0.06 -0.24 -0.04 0.88 0.75 3ht4H1 GLN 374 H 0.03 0.18 0.07 -0.55 8.47 8.20 3ht4H1 GLN 374 HA 0.00 0.01 0.32 -0.75 4.36 3.94 3ht4H1 GLN 374 HB2 -0.01 0.03 0.14 -0.04 2.15 2.27 3ht4H1 GLN 374 HB3 0.01 0.01 0.16 -0.04 2.02 2.16 3ht4H1 GLN 374 HG2 -0.00 0.02 -0.17 -0.04 2.40 2.20 3ht4H1 GLN 374 HG3 -0.02 0.02 0.02 -0.04 2.39 2.37 3ht4H1 GLN 374 HE21 -0.01 -0.01 0.01 -0.04 6.97 6.92 3ht4H1 GLN 374 HE22 -0.01 0.01 0.04 -0.04 7.69 7.69 3ht4H1 GLY 375 H 0.03 0.14 0.19 -0.55 8.43 8.24 3ht4H1 GLY 375 HA2 0.03 0.02 0.27 -0.51 4.01 3.83 3ht4H1 GLY 375 HA3 0.03 0.06 0.22 -0.51 4.01 3.80 3ht4H1 ALA 376 H 0.06 0.64 -0.19 -0.55 8.40 8.37 3ht4H1 ALA 376 HA 0.06 0.17 0.59 -0.75 4.34 4.40 3ht4H1 ALA 376 HB3 0.09 -0.03 0.12 -0.04 1.41 1.55 3ht4H1 SER 377 H 0.07 0.21 0.33 -0.55 8.46 8.51 3ht4H1 SER 377 HA 0.13 0.21 0.29 -0.75 4.49 4.37 3ht4H1 SER 377 HB2 0.27 0.04 0.15 -0.04 3.95 4.37 3ht4H1 SER 377 HB3 0.15 0.07 0.05 -0.04 3.93 4.16 3ht4H1 ILE 378 H 0.11 0.18 -0.46 -0.55 8.25 7.53 3ht4H1 ILE 378 HA 0.16 0.14 0.73 -0.75 4.18 4.46 3ht4H1 ILE 378 HB 0.12 -0.22 -0.17 -0.04 1.89 1.58 3ht4H1 ILE 378 HG12 0.12 -0.02 -0.17 -0.04 1.49 1.37 3ht4H1 ILE 378 HG13 0.11 0.02 -0.03 -0.04 1.21 1.27 3ht4H1 ILE 378 HG23 0.11 -0.01 -0.26 -0.04 0.93 0.73 3ht4H1 ILE 378 HD13 0.14 0.00 -0.03 -0.04 0.88 0.95 3ht4H1 GLU 379 H 0.12 0.33 -0.19 -0.55 8.60 8.32 3ht4H1 GLU 379 HA 0.13 -0.08 0.87 -0.75 4.29 4.46 3ht4H1 GLU 379 HB2 0.12 0.16 0.01 -0.04 2.09 2.35 3ht4H1 GLU 379 HB3 0.17 0.01 0.15 -0.04 1.99 2.27 3ht4H1 GLU 379 HG2 0.17 -0.05 -0.02 -0.04 2.34 2.40 3ht4H1 GLU 379 HG3 0.14 -0.01 -0.08 -0.04 2.34 2.36 3ht4H1 LEU 380 H 0.10 -0.06 0.05 -0.55 8.37 7.91 3ht4H1 LEU 380 HA 0.04 0.44 0.28 -0.75 4.35 4.35 3ht4H1 LEU 380 HB2 -0.15 0.02 -0.05 -0.04 1.64 1.42 3ht4H1 LEU 380 HB3 -0.15 -0.11 0.08 -0.04 1.64 1.42 3ht4H1 LEU 380 HG -0.01 0.11 -0.41 -0.04 1.64 1.28 3ht4H1 LEU 380 HD13 -0.04 -0.01 -0.09 -0.04 0.93 0.75 3ht4H1 LEU 380 HD23 -0.27 -0.01 -0.11 -0.04 0.89 0.46 3ht4H1 SER 381 H 0.08 0.38 0.37 -0.55 8.46 8.74 3ht4H1 SER 381 HA 0.08 0.18 0.68 -0.75 4.49 4.68 3ht4H1 SER 381 HB2 0.10 0.03 0.06 -0.04 3.95 4.09 3ht4H1 SER 381 HB3 0.09 -0.07 0.02 -0.04 3.93 3.93 3ht4H1 ALA 382 H 0.11 0.65 0.35 -0.55 8.40 8.97 3ht4H1 ALA 382 HA 0.19 0.48 1.08 -0.75 4.34 5.33 3ht4H1 ALA 382 HB3 0.19 -0.02 0.02 -0.04 1.41 1.56 3ht4H1 ASP 383 H 0.22 0.31 0.39 -0.55 8.40 8.77 3ht4H1 ASP 383 HA 0.13 0.69 0.79 -0.75 4.63 5.49 3ht4H1 ASP 383 HB2 0.10 -0.14 -0.03 -0.04 2.71 2.60 3ht4H1 ASP 383 HB3 0.10 0.23 -0.29 -0.04 2.70 2.70 3ht4H1 GLY 384 H 0.12 0.14 0.25 -0.55 8.43 8.40 3ht4H1 GLY 384 HA2 0.20 0.00 0.44 -0.51 4.01 4.14 3ht4H1 GLY 384 HA3 0.22 0.25 0.63 -0.51 4.01 4.60 3ht4H1 PRO 385 HA 0.04 0.30 0.57 -0.51 4.44 4.83 3ht4H1 PRO 385 HB2 0.01 -0.05 -0.03 -0.04 2.28 2.16 3ht4H1 PRO 385 HB3 -0.04 0.00 0.09 -0.04 2.02 2.03 3ht4H1 PRO 385 HG2 0.04 0.05 0.13 -0.04 2.03 2.21 3ht4H1 PRO 385 HG3 -0.01 0.02 0.09 -0.04 2.03 2.09 3ht4H1 PRO 385 HD2 0.16 0.23 0.27 -0.04 3.68 4.30 3ht4H1 PRO 385 HD3 0.04 0.06 0.19 -0.04 3.65 3.90 3ht4H1 ILE 386 H 0.08 0.41 0.04 -0.55 8.25 8.23 3ht4H1 ILE 386 HA 0.24 0.19 0.55 -0.75 4.18 4.40 3ht4H1 ILE 386 HB 0.12 -0.13 0.16 -0.04 1.89 2.01 3ht4H1 ILE 386 HG12 0.12 0.11 -0.14 -0.04 1.49 1.55 3ht4H1 ILE 386 HG13 0.10 0.05 -0.29 -0.04 1.21 1.03 3ht4H1 ILE 386 HG23 0.23 -0.01 0.00 -0.04 0.93 1.12 3ht4H1 ILE 386 HD13 0.09 -0.02 -0.11 -0.04 0.88 0.79 3ht4H1 ARG 387 H -0.02 0.61 -0.06 -0.55 8.46 8.44 3ht4H1 ARG 387 HA -0.22 0.15 0.77 -0.75 4.34 4.29 3ht4H1 ARG 387 HB2 -0.09 0.02 0.05 -0.04 1.90 1.84 3ht4H1 ARG 387 HB3 -0.04 -0.09 -0.25 -0.04 1.80 1.38 3ht4H1 ARG 387 HG2 -0.08 0.01 -0.05 -0.04 1.67 1.51 3ht4H1 ARG 387 HG3 -0.09 0.19 -0.20 -0.04 1.67 1.52 3ht4H1 ARG 387 HD2 -0.02 -0.06 -0.04 -0.04 3.22 3.06 3ht4H1 ARG 387 HD3 -0.02 -0.06 -0.07 -0.04 3.22 3.03 3ht4H1 PRO 388 HA -0.69 -0.03 0.45 -0.51 4.44 3.66 3ht4H1 PRO 388 HB2 -0.14 0.05 0.03 -0.04 2.28 2.18 3ht4H1 PRO 388 HB3 -0.12 0.07 0.05 -0.04 2.02 1.97 3ht4H1 PRO 388 HG2 -0.09 0.04 0.07 -0.04 2.03 2.01 3ht4H1 PRO 388 HG3 -0.19 0.04 0.04 -0.04 2.03 1.88 3ht4H1 PRO 388 HD2 -0.20 0.11 0.21 -0.04 3.68 3.76 3ht4H1 PRO 388 HD3 -0.40 0.16 0.14 -0.04 3.65 3.51 3ht4H1 PRO 389 HA -0.06 0.02 0.26 -0.51 4.44 4.15 3ht4H1 PRO 389 HB2 0.01 0.03 0.16 -0.04 2.28 2.44 3ht4H1 PRO 389 HB3 -0.01 0.03 0.08 -0.04 2.02 2.08 3ht4H1 PRO 389 HG2 -0.03 0.04 -0.04 -0.04 2.03 1.96 3ht4H1 PRO 389 HG3 -0.04 0.05 0.04 -0.04 2.03 2.04 3ht4H1 PRO 389 HD2 -0.06 0.10 0.17 -0.04 3.68 3.86 3ht4H1 PRO 389 HD3 -0.06 0.10 0.20 -0.04 3.65 3.85 3ht4H1 TYR 390 H -0.38 0.66 0.37 -0.55 8.29 8.38 3ht4H1 TYR 390 HA 0.07 0.18 0.31 -0.75 4.56 4.36 3ht4H1 TYR 390 HB2 0.10 -0.13 -0.26 -0.04 3.06 2.73 3ht4H1 TYR 390 HB3 0.10 0.17 -0.09 -0.04 2.98 3.12 3ht4H1 TYR 390 HD2 0.04 0.06 -0.45 -0.04 7.15 6.76 3ht4H1 TYR 390 HE2 0.03 0.09 -0.22 -0.04 6.85 6.70 3ht4H1 VAL 391 H 0.05 0.11 -0.02 -0.55 8.24 7.83 3ht4H1 VAL 391 HA 0.01 0.23 0.97 -0.75 4.13 4.58 3ht4H1 VAL 391 HB 0.03 -0.04 0.01 -0.04 2.12 2.08 3ht4H1 VAL 391 HG13 -0.17 0.01 -0.20 -0.04 0.97 0.58 3ht4H1 VAL 391 HG23 -0.04 -0.02 -0.14 -0.04 0.95 0.71 3ht4H1 ALA 392 H -0.00 0.74 0.44 -0.55 8.40 9.03 3ht4H1 ALA 392 HA 0.24 0.18 0.86 -0.75 4.34 4.87 3ht4H1 ALA 392 HB3 0.38 -0.00 -0.09 -0.04 1.41 1.66 3ht4H1 TYR 393 H 0.33 0.73 0.41 -0.55 8.29 9.21 3ht4H1 TYR 393 HA -0.05 0.20 1.23 -0.75 4.56 5.19 3ht4H1 TYR 393 HB2 0.03 0.04 0.25 -0.04 3.06 3.34 3ht4H1 TYR 393 HB3 -0.12 -0.04 0.10 -0.04 2.98 2.88 3ht4H1 TYR 393 HD2 -0.18 -0.04 -0.04 -0.04 7.15 6.85 3ht4H1 TYR 393 HE2 -0.21 0.01 -0.11 -0.04 6.85 6.49 3ht4H1 VAL 394 H -0.01 0.42 0.10 -0.55 8.24 8.21 3ht4H1 VAL 394 HA 0.15 0.45 1.13 -0.75 4.13 5.10 3ht4H1 VAL 394 HB 0.09 -0.03 0.06 -0.04 2.12 2.20 3ht4H1 VAL 394 HG13 0.21 -0.01 -0.08 -0.04 0.97 1.05 3ht4H1 VAL 394 HG23 0.33 -0.01 -0.24 -0.04 0.95 0.99 3ht4H1 GLN 395 H 0.09 0.37 0.28 -0.55 8.47 8.67 3ht4H1 GLN 395 HA 0.05 0.15 0.96 -0.75 4.36 4.77 3ht4H1 GLN 395 HB2 0.02 0.16 0.17 -0.04 2.15 2.46 3ht4H1 GLN 395 HB3 0.01 -0.08 0.04 -0.04 2.02 1.94 3ht4H1 GLN 395 HG2 0.09 0.00 -0.06 -0.04 2.40 2.39 3ht4H1 GLN 395 HG3 0.06 0.02 -0.03 -0.04 2.39 2.40 3ht4H1 GLN 395 HE21 -0.30 -0.07 -0.01 -0.04 6.97 6.54 3ht4H1 GLN 395 HE22 -0.07 0.01 -0.02 -0.04 7.69 7.57 3ht4H1 GLY 396 H 0.06 0.13 0.17 -0.55 8.43 8.24 3ht4H1 GLY 396 HA2 0.10 -0.03 0.25 -0.51 4.01 3.81 3ht4H1 GLY 396 HA3 0.10 0.30 0.10 -0.51 4.01 3.99 3ht4H1 GLY 397 H 0.10 0.53 -0.23 -0.55 8.43 8.28 3ht4H1 GLY 397 HA2 0.10 -0.23 0.42 -0.51 4.01 3.78 3ht4H1 GLY 397 HA3 0.02 0.19 0.67 -0.51 4.01 4.38 3ht4H1 LEU 398 H 0.20 0.10 0.21 -0.55 8.37 8.33 3ht4H1 LEU 398 HA 0.11 0.13 0.36 -0.75 4.35 4.20 3ht4H1 LEU 398 HB2 0.13 -0.04 0.13 -0.04 1.64 1.82 3ht4H1 LEU 398 HB3 0.08 0.05 0.06 -0.04 1.64 1.78 3ht4H1 LEU 398 HG 0.18 -0.08 0.16 -0.04 1.64 1.86 3ht4H1 LEU 398 HD13 0.15 0.01 0.07 -0.04 0.93 1.12 3ht4H1 LEU 398 HD23 0.11 0.04 -0.06 -0.04 0.89 0.94 3ht4H1 THR 399 H 0.15 0.11 -0.06 -0.55 8.28 7.93 3ht4H1 THR 399 HA 0.12 0.24 0.80 -0.75 4.39 4.79 3ht4H1 THR 399 HB 0.10 0.01 0.08 -0.04 4.32 4.46 3ht4H1 THR 399 HG23 0.06 0.04 -0.17 -0.04 1.22 1.12 3ht4H1 TYR 400 H 0.16 0.23 0.07 -0.55 8.29 8.20 3ht4H1 TYR 400 HA -0.02 0.16 0.37 -0.75 4.56 4.31 3ht4H1 TYR 400 HB2 -0.08 0.13 0.15 -0.04 3.06 3.22 3ht4H1 TYR 400 HB3 -0.05 -0.08 0.12 -0.04 2.98 2.93 3ht4H1 TYR 400 HD2 -0.08 -0.02 -0.23 -0.04 7.15 6.78 3ht4H1 TYR 400 HE2 0.03 0.14 -0.23 -0.04 6.85 6.75 3ht4H1 SER 401 H 0.19 0.12 -0.15 -0.55 8.46 8.07 3ht4H1 SER 401 HA 0.02 0.05 0.32 -0.75 4.49 4.13 3ht4H1 SER 401 HB2 0.05 0.02 -0.03 -0.04 3.95 3.95 3ht4H1 SER 401 HB3 0.03 0.06 0.03 -0.04 3.93 4.01 3ht4H1 HIS 402 H 0.09 0.19 -0.53 -0.55 8.41 7.62 3ht4H1 HIS 402 HA -0.06 0.05 0.38 -0.75 4.63 4.25 3ht4H1 HIS 402 HB2 0.00 -0.09 0.12 -0.04 3.26 3.25 3ht4H1 HIS 402 HB3 -0.01 0.09 0.17 -0.04 3.20 3.41 3ht4H1 HIS 402 HD2 -0.05 -0.05 0.14 -0.04 6.97 6.97 3ht4H1 HIS 402 HE1 0.03 0.06 0.12 -0.04 7.75 7.91 3ht4H1 VAL 403 H -0.17 0.32 0.03 -0.55 8.24 7.88 3ht4H1 VAL 403 HA -0.29 0.06 0.40 -0.75 4.13 3.54 3ht4H1 VAL 403 HB -0.41 -0.02 0.13 -0.04 2.12 1.78 3ht4H1 VAL 403 HG13 -0.07 -0.02 -0.14 -0.04 0.97 0.70 3ht4H1 VAL 403 HG23 -0.11 0.03 0.04 -0.04 0.95 0.87 3ht4H1 LYS 404 H -0.52 0.45 -0.23 -0.55 8.42 7.57 3ht4H1 LYS 404 HA -0.76 0.01 0.28 -0.75 4.32 3.10 3ht4H1 LYS 404 HB2 -0.66 -0.02 -0.00 -0.04 1.87 1.14 3ht4H1 LYS 404 HB3 -0.33 0.05 0.02 -0.04 1.79 1.48 3ht4H1 LYS 404 HG2 -1.38 0.00 -0.01 -0.04 1.46 0.03 3ht4H1 LYS 404 HG3 -0.93 -0.03 -0.05 -0.04 1.46 0.40 3ht4H1 LYS 404 HD2 -0.22 0.03 -0.08 -0.04 1.69 1.38 3ht4H1 LYS 404 HD3 -0.34 -0.02 -0.07 -0.04 1.68 1.21 3ht4H1 LYS 404 HE2 -0.02 -0.01 -0.06 -0.04 2.99 2.85 3ht4H1 LYS 404 HE3 0.18 -0.01 -0.07 -0.04 2.99 3.05 3ht4H1 ILE 405 H -0.16 0.63 -0.00 -0.55 8.25 8.17 3ht4H1 ILE 405 HA -0.09 -0.04 0.33 -0.75 4.18 3.62 3ht4H1 ILE 405 HB 0.02 0.08 0.20 -0.04 1.89 2.14 3ht4H1 ILE 405 HG12 -0.04 -0.05 0.02 -0.04 1.49 1.38 3ht4H1 ILE 405 HG13 -0.06 0.03 0.08 -0.04 1.21 1.22 3ht4H1 ILE 405 HG23 -0.02 0.00 -0.11 -0.04 0.93 0.76 3ht4H1 ILE 405 HD13 -0.01 -0.03 -0.06 -0.04 0.88 0.73 3ht4H1 ALA 406 H -0.09 0.67 -0.11 -0.55 8.40 8.32 3ht4H1 ALA 406 HA -0.05 0.05 0.20 -0.75 4.34 3.78 3ht4H1 ALA 406 HB3 -0.14 0.01 0.11 -0.04 1.41 1.35 3ht4H1 ILE 407 H -0.06 0.39 0.06 -0.55 8.25 8.09 3ht4H1 ILE 407 HA -0.12 0.05 0.32 -0.75 4.18 3.67 3ht4H1 ILE 407 HB 0.37 -0.05 -0.02 -0.04 1.89 2.15 3ht4H1 ILE 407 HG12 -0.02 0.65 0.21 -0.04 1.49 2.29 3ht4H1 ILE 407 HG13 0.13 -0.10 0.02 -0.04 1.21 1.23 3ht4H1 ILE 407 HG23 0.23 0.01 0.03 -0.04 0.93 1.15 3ht4H1 ILE 407 HD13 0.33 -0.05 -0.12 -0.04 0.88 1.00 3ht4H1 CYS 408 H 0.01 0.44 -0.23 -0.55 8.50 8.17 3ht4H1 CYS 408 HA 0.27 -0.08 0.43 -0.75 4.58 4.45 3ht4H1 CYS 408 HB2 -0.11 0.22 0.15 -0.04 2.97 3.19 3ht4H1 CYS 408 HB3 -0.03 0.15 0.08 -0.04 2.97 3.13 3ht4H1 SER 409 H -0.02 0.72 -0.10 -0.55 8.46 8.51 3ht4H1 SER 409 HA 0.02 -0.06 0.56 -0.75 4.49 4.26 3ht4H1 SER 409 HB2 -0.03 0.00 0.10 -0.04 3.95 3.98 3ht4H1 SER 409 HB3 -0.05 0.16 0.06 -0.04 3.93 4.07 3ht4H1 ALA 410 H -0.04 0.39 -0.41 -0.55 8.40 7.79 3ht4H1 ALA 410 HA -0.11 0.11 0.70 -0.75 4.34 4.29 3ht4H1 ALA 410 HB3 -0.65 0.01 -0.01 -0.04 1.41 0.72 3ht4H1 ILE 411 H 0.13 0.79 0.19 -0.55 8.25 8.81 3ht4H1 ILE 411 HA 0.21 -0.04 0.40 -0.75 4.18 3.99 3ht4H1 ILE 411 HB 0.31 0.10 0.09 -0.04 1.89 2.35 3ht4H1 ILE 411 HG12 -0.05 -0.02 -0.05 -0.04 1.49 1.33 3ht4H1 ILE 411 HG13 0.31 -0.03 0.01 -0.04 1.21 1.46 3ht4H1 ILE 411 HG23 0.03 -0.02 -0.04 -0.04 0.93 0.85 3ht4H1 ILE 411 HD13 0.56 0.05 -0.13 -0.04 0.88 1.32 3ht4H1 ASP 412 H 0.07 0.17 -1.24 -0.55 8.40 6.85 3ht4H1 ASP 412 HA 0.07 -0.01 0.15 -0.75 4.63 4.09 3ht4H1 ASP 412 HB2 0.07 0.18 0.07 -0.04 2.71 2.99 3ht4H1 ASP 412 HB3 0.05 0.18 -0.02 -0.04 2.70 2.87 3ht4H1 GLU 413 H 0.06 0.11 -0.83 -0.55 8.60 7.40 3ht4H1 GLU 413 HA 0.03 0.15 0.96 -0.75 4.29 4.67 3ht4H1 GLU 413 HB2 0.03 0.22 -0.04 -0.04 2.09 2.26 3ht4H1 GLU 413 HB3 0.02 -0.06 -0.08 -0.04 1.99 1.83 3ht4H1 GLU 413 HG2 0.01 -0.09 -0.04 -0.04 2.34 2.18 3ht4H1 GLU 413 HG3 0.02 0.09 -0.09 -0.04 2.34 2.33 3ht4H1 LEU 414 H 0.07 0.16 0.07 -0.55 8.37 8.12 3ht4H1 LEU 414 HA 0.02 0.08 0.08 -0.75 4.35 3.77 3ht4H1 LEU 414 HB2 0.04 -0.04 -0.07 -0.04 1.64 1.53 3ht4H1 LEU 414 HB3 0.02 0.01 0.03 -0.04 1.64 1.67 3ht4H1 LEU 414 HG 0.14 0.07 0.02 -0.04 1.64 1.82 3ht4H1 LEU 414 HD13 0.12 -0.04 -0.13 -0.04 0.93 0.84 3ht4H1 LEU 414 HD23 0.19 -0.02 0.06 -0.04 0.89 1.07 3ht4H1 ILE 415 H 0.06 0.10 -0.04 -0.55 8.25 7.82 3ht4H1 ILE 415 HA 0.03 0.07 0.03 -0.75 4.18 3.56 3ht4H1 ILE 415 HB 0.02 0.02 0.03 -0.04 1.89 1.93 3ht4H1 ILE 415 HG12 0.07 -0.05 0.07 -0.04 1.49 1.54 3ht4H1 ILE 415 HG13 0.01 0.05 0.04 -0.04 1.21 1.26 3ht4H1 ILE 415 HG23 0.00 0.01 0.05 -0.04 0.93 0.95 3ht4H1 ILE 415 HD13 0.06 0.01 -0.01 -0.04 0.88 0.89