============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 57 rings ring int. center anis. iso. HIS 1 0.900 34.881 10.141 15.829 -99.200 -91.000 PHE 4 1.000 32.215 -0.049 11.947 -99.200 -91.000 HIS 21 0.900 29.141 -20.223 8.217 -99.200 -91.000 PHE 30 1.000 21.309 -23.178 5.315 -99.200 -91.000 TYR 37 0.840 7.136 -20.938 7.611 -99.200 -91.000 PHE 48 1.000 17.604 -21.825 -3.957 -99.200 -91.000 TYR 52 0.840 18.327 -26.580 5.192 -99.200 -91.000 HIS 56 0.900 2.960 -23.202 9.238 -99.200 -91.000 PHE 76 1.000 23.157 -25.456 8.902 -99.200 -91.000 HIS 77 0.900 28.697 -33.136 13.299 -99.200 -91.000 TYR 80 0.840 24.814 -29.436 6.144 -99.200 -91.000 TYR 87 0.840 22.948 -31.945 15.834 -99.200 -91.000 TYR 90 0.840 10.607 -28.236 17.629 -99.200 -91.000 TRP 97 1.040 6.869 -35.356 28.484 -99.200 -91.000 TRP6 97 1.020 6.773 -36.431 26.374 -99.200 -91.000 HIS 102 0.900 2.983 -29.434 30.510 -99.200 -91.000 HIS 104 0.900 7.327 -23.892 25.955 -99.200 -91.000 TYR 111 0.840 14.189 -32.136 11.990 -99.200 -91.000 HIS 119 0.900 20.031 -25.957 -2.981 -99.200 -91.000 PHE 129 1.000 20.637 -35.591 19.496 -99.200 -91.000 HIS 136 0.900 6.045 -19.075 34.595 -99.200 -91.000 HIS 139 0.900 13.098 -14.285 32.358 -99.200 -91.000 PHE 146 1.000 27.568 -29.133 16.910 -99.200 -91.000 PHE 151 1.000 33.269 -32.197 23.656 -99.200 -91.000 TYR 153 0.840 30.071 -25.787 24.445 -99.200 -91.000 PHE 175 1.000 19.167 -31.831 31.618 -99.200 -91.000 TYR 193 0.840 22.435 -36.272 25.507 -99.200 -91.000 HIS 201 0.900 28.259 -31.408 38.110 -99.200 -91.000 PHE 202 1.000 32.425 -39.266 31.984 -99.200 -91.000 PHE 212 1.000 31.644 -26.383 30.674 -99.200 -91.000 HIS 214 0.900 24.855 -23.691 38.842 -99.200 -91.000 HIS 217 0.900 19.194 -15.465 37.195 -99.200 -91.000 HIS 227 0.900 39.432 -18.088 15.286 -99.200 -91.000 TYR 261 0.840 36.376 -26.979 32.615 -99.200 -91.000 PHE 270 1.000 31.771 -8.347 32.465 -99.200 -91.000 PHE 273 1.000 26.059 -4.858 29.180 -99.200 -91.000 PHE 282 1.000 27.863 -8.470 15.913 -99.200 -91.000 TYR 284 0.840 33.826 -7.985 11.522 -99.200 -91.000 TYR 293 0.840 39.889 -10.364 13.641 -99.200 -91.000 TYR 296 0.840 33.928 -10.610 23.141 -99.200 -91.000 PHE 298 1.000 27.113 -8.317 24.136 -99.200 -91.000 PHE 305 1.000 23.483 -2.254 16.815 -99.200 -91.000 TYR 324 0.840 17.659 6.211 7.328 -99.200 -91.000 PHE 325 1.000 17.014 -0.610 13.481 -99.200 -91.000 HIS 328 0.900 10.139 -2.713 17.916 -99.200 -91.000 PHE 332 1.000 22.319 -8.987 17.509 -99.200 -91.000 TYR 341 0.840 24.766 -10.830 6.653 -99.200 -91.000 HIS 348 0.900 4.943 -11.832 4.675 -99.200 -91.000 TYR 353 0.840 18.146 -2.893 7.426 -99.200 -91.000 TYR 389 0.840 20.131 -43.577 15.922 -99.200 -91.000 TRP 402 1.040 14.403 -53.606 10.887 -99.200 -91.000 TRP6 402 1.020 14.287 -54.747 8.819 -99.200 -91.000 PHE 406 1.000 26.150 -50.452 5.695 -99.200 -91.000 HIS 418 0.900 7.190 -76.749 11.163 -99.200 -91.000 TYR 434 0.840 4.718 -76.411 7.192 -99.200 -91.000 HIS 441 0.900 -0.282 -73.989 16.188 -99.200 -91.000 HIS 442 0.900 1.522 -79.940 8.010 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3ho3A1 HIS 214 HA -0.01 -0.03 0.15 -0.75 4.63 3.98 3ho3A1 HIS 214 HB2 0.00 -0.01 0.02 -0.04 3.26 3.24 3ho3A1 HIS 214 HB3 0.00 -0.01 -0.11 -0.04 3.20 3.04 3ho3A1 HIS 214 HD2 0.00 -0.01 0.03 -0.04 6.97 6.95 3ho3A1 HIS 214 HE1 0.01 0.05 0.03 -0.04 7.75 7.80 3ho3A1 ASN 215 H -0.15 0.12 0.05 -0.55 8.53 8.00 3ho3A1 ASN 215 HA -0.09 0.16 0.76 -0.75 4.76 4.83 3ho3A1 ASN 215 HB2 -0.09 -0.00 0.19 -0.04 2.88 2.93 3ho3A1 ASN 215 HB3 -0.16 0.02 0.05 -0.04 2.79 2.66 3ho3A1 ASN 215 HD21 -0.25 -0.00 0.00 -0.04 7.03 6.74 3ho3A1 ASN 215 HD22 -0.20 0.02 0.05 -0.04 7.74 7.56 3ho3A1 CYS 216 H -0.07 0.22 0.18 -0.55 8.50 8.28 3ho3A1 CYS 216 HA 0.03 0.20 0.82 -0.75 4.58 4.88 3ho3A1 CYS 216 HB2 -0.00 0.13 0.07 -0.04 2.97 3.12 3ho3A1 CYS 216 HB3 0.05 -0.01 -0.09 -0.04 2.97 2.88 3ho3A1 PHE 217 H 0.17 0.45 0.29 -0.55 8.34 8.69 3ho3A1 PHE 217 HA -0.05 0.18 0.96 -0.75 4.62 4.95 3ho3A1 PHE 217 HB2 -0.08 0.07 0.06 -0.04 3.15 3.16 3ho3A1 PHE 217 HB3 -0.10 -0.09 0.11 -0.04 3.06 2.94 3ho3A1 PHE 217 HD2 -0.07 0.04 -0.17 -0.04 7.28 7.04 3ho3A1 PHE 217 HE2 -0.08 -0.04 -0.08 -0.04 7.38 7.14 3ho3A1 PHE 217 HZ -0.07 -0.08 -0.13 -0.04 7.32 7.00 3ho3A1 CYS 218 H 0.15 0.24 0.25 -0.55 8.50 8.59 3ho3A1 CYS 218 HA -0.00 0.34 0.93 -0.75 4.58 5.10 3ho3A1 CYS 218 HB2 0.00 -0.01 0.05 -0.04 2.97 2.98 3ho3A1 CYS 218 HB3 -0.01 0.01 -0.13 -0.04 2.97 2.79 3ho3A1 ILE 219 H -0.05 0.33 0.07 -0.55 8.25 8.05 3ho3A1 ILE 219 HA -0.02 0.28 0.93 -0.75 4.18 4.61 3ho3A1 ILE 219 HB -0.12 -0.05 -0.14 -0.04 1.89 1.55 3ho3A1 ILE 219 HG12 -0.10 -0.02 -0.22 -0.04 1.49 1.11 3ho3A1 ILE 219 HG13 -0.12 -0.03 -0.22 -0.04 1.21 0.81 3ho3A1 ILE 219 HG23 -0.13 0.01 -0.17 -0.04 0.93 0.60 3ho3A1 ILE 219 HD13 -0.48 0.05 -0.49 -0.04 0.88 -0.08 3ho3A1 GLN 220 H 0.10 0.65 0.20 -0.55 8.47 8.88 3ho3A1 GLN 220 HA 0.09 0.13 0.86 -0.75 4.36 4.68 3ho3A1 GLN 220 HB2 0.01 0.03 -0.23 -0.04 2.15 1.92 3ho3A1 GLN 220 HB3 0.01 -0.04 0.02 -0.04 2.02 1.97 3ho3A1 GLN 220 HG2 -0.00 -0.03 -0.12 -0.04 2.40 2.21 3ho3A1 GLN 220 HG3 0.01 0.08 -0.32 -0.04 2.39 2.12 3ho3A1 GLN 220 HE21 0.01 -0.02 0.04 -0.04 6.97 6.96 3ho3A1 GLN 220 HE22 0.02 0.08 0.04 -0.04 7.69 7.78 3ho3A1 GLU 221 H 0.10 0.17 0.10 -0.55 8.60 8.42 3ho3A1 GLU 221 HA -0.49 0.07 0.54 -0.75 4.29 3.65 3ho3A1 GLU 221 HB2 -0.03 0.00 0.06 -0.04 2.09 2.09 3ho3A1 GLU 221 HB3 -0.05 0.02 0.12 -0.04 1.99 2.03 3ho3A1 GLU 221 HG2 -0.20 0.02 -0.36 -0.04 2.34 1.76 3ho3A1 GLU 221 HG3 -0.56 -0.03 -0.08 -0.04 2.34 1.62 3ho3A1 VAL 222 H -0.16 0.76 0.52 -0.55 8.24 8.81 3ho3A1 VAL 222 HA -0.03 0.13 0.71 -0.75 4.13 4.19 3ho3A1 VAL 222 HB 0.00 -0.03 0.10 -0.04 2.12 2.16 3ho3A1 VAL 222 HG13 0.02 -0.01 -0.12 -0.04 0.97 0.82 3ho3A1 VAL 222 HG23 0.14 -0.00 -0.03 -0.04 0.95 1.02 3ho3A1 VAL 223 H -0.12 0.25 0.29 -0.55 8.24 8.12 3ho3A1 VAL 223 HA -0.08 0.14 0.57 -0.75 4.13 4.01 3ho3A1 VAL 223 HB -0.07 0.06 -0.29 -0.04 2.12 1.77 3ho3A1 VAL 223 HG13 -0.07 -0.01 -0.23 -0.04 0.97 0.62 3ho3A1 VAL 223 HG23 -0.07 0.03 0.08 -0.04 0.95 0.94 3ho3A1 SER 224 H -0.07 0.20 0.16 -0.55 8.46 8.20 3ho3A1 SER 224 HA -0.06 0.28 1.01 -0.75 4.49 4.96 3ho3A1 SER 224 HB2 -0.03 -0.11 0.09 -0.04 3.95 3.86 3ho3A1 SER 224 HB3 -0.07 0.01 -0.10 -0.04 3.93 3.72 3ho3A1 GLY 225 H -0.01 0.06 0.20 -0.55 8.43 8.13 3ho3A1 GLY 225 HA2 -0.03 -0.11 0.44 -0.51 4.01 3.80 3ho3A1 GLY 225 HA3 -0.08 0.14 0.50 -0.51 4.01 4.06 3ho3A1 LEU 226 H 0.04 -0.11 0.32 -0.55 8.37 8.07 3ho3A1 LEU 226 HA 0.04 0.24 0.76 -0.75 4.35 4.63 3ho3A1 LEU 226 HB2 0.01 -0.09 -0.16 -0.04 1.64 1.36 3ho3A1 LEU 226 HB3 0.01 -0.01 -0.21 -0.04 1.64 1.39 3ho3A1 LEU 226 HG -0.02 0.03 -0.53 -0.04 1.64 1.07 3ho3A1 LEU 226 HD13 -0.03 -0.00 -0.42 -0.04 0.93 0.44 3ho3A1 LEU 226 HD23 -0.02 0.02 -0.23 -0.04 0.89 0.62 3ho3A1 ARG 227 H -0.00 0.19 -0.06 -0.55 8.46 8.03 3ho3A1 ARG 227 HA -0.05 0.20 0.53 -0.75 4.34 4.27 3ho3A1 ARG 227 HB2 -0.01 -0.08 0.17 -0.04 1.90 1.94 3ho3A1 ARG 227 HB3 -0.11 0.07 0.03 -0.04 1.80 1.75 3ho3A1 ARG 227 HG2 -0.28 0.03 -0.13 -0.04 1.67 1.25 3ho3A1 ARG 227 HG3 -0.12 -0.02 0.01 -0.04 1.67 1.51 3ho3A1 ARG 227 HD2 -0.19 -0.03 -0.02 -0.04 3.22 2.94 3ho3A1 ARG 227 HD3 -0.26 0.03 -0.03 -0.04 3.22 2.92 3ho3A1 GLN 228 H 0.02 0.34 -0.09 -0.55 8.47 8.19 3ho3A1 GLN 228 HA 0.03 0.09 0.30 -0.75 4.36 4.02 3ho3A1 GLN 228 HB2 0.03 0.00 0.12 -0.04 2.15 2.27 3ho3A1 GLN 228 HB3 0.03 0.04 0.08 -0.04 2.02 2.13 3ho3A1 GLN 228 HG2 0.01 -0.04 -0.15 -0.04 2.40 2.18 3ho3A1 GLN 228 HG3 0.02 0.05 -0.06 -0.04 2.39 2.37 3ho3A1 GLN 228 HE21 0.04 -0.04 0.00 -0.04 6.97 6.93 3ho3A1 GLN 228 HE22 0.02 0.03 0.03 -0.04 7.69 7.74 3ho3A1 PRO 229 HA 0.03 0.26 0.57 -0.51 4.44 4.78 3ho3A1 PRO 229 HB2 0.00 0.03 -0.15 -0.04 2.28 2.12 3ho3A1 PRO 229 HB3 0.01 -0.01 -0.16 -0.04 2.02 1.82 3ho3A1 PRO 229 HG2 0.01 -0.01 -0.09 -0.04 2.03 1.90 3ho3A1 PRO 229 HG3 0.01 0.06 -0.14 -0.04 2.03 1.92 3ho3A1 PRO 229 HD2 0.02 0.10 0.03 -0.04 3.68 3.79 3ho3A1 PRO 229 HD3 0.03 0.02 -0.09 -0.04 3.65 3.57 3ho3A1 VAL 230 H 0.02 0.59 0.32 -0.55 8.24 8.63 3ho3A1 VAL 230 HA -0.00 0.15 0.56 -0.75 4.13 4.09 3ho3A1 VAL 230 HB 0.03 -0.04 -0.03 -0.04 2.12 2.03 3ho3A1 VAL 230 HG13 0.02 0.03 -0.11 -0.04 0.97 0.87 3ho3A1 VAL 230 HG23 0.02 0.04 -0.02 -0.04 0.95 0.95 3ho3A1 GLY 231 H 0.02 0.21 0.19 -0.55 8.43 8.29 3ho3A1 GLY 231 HA2 0.02 0.13 0.41 -0.51 4.01 4.06 3ho3A1 GLY 231 HA3 0.03 0.10 0.40 -0.51 4.01 4.04 3ho3A1 ALA 232 H 0.05 0.54 0.38 -0.55 8.40 8.82 3ho3A1 ALA 232 HA 0.05 0.34 0.86 -0.75 4.34 4.83 3ho3A1 ALA 232 HB3 -0.06 -0.03 -0.16 -0.04 1.41 1.12 3ho3A1 LEU 233 H 0.13 0.59 0.35 -0.55 8.37 8.88 3ho3A1 LEU 233 HA 0.12 0.14 0.75 -0.75 4.35 4.61 3ho3A1 LEU 233 HB2 0.07 0.01 0.23 -0.04 1.64 1.91 3ho3A1 LEU 233 HB3 0.07 0.03 -0.16 -0.04 1.64 1.54 3ho3A1 LEU 233 HG 0.24 -0.03 -0.38 -0.04 1.64 1.43 3ho3A1 LEU 233 HD13 0.01 0.02 0.01 -0.04 0.93 0.93 3ho3A1 LEU 233 HD23 -0.01 -0.00 -0.11 -0.04 0.89 0.73 3ho3A1 HIS 234 H 0.16 0.19 0.19 -0.55 8.41 8.40 3ho3A1 HIS 234 HA 0.17 0.22 0.94 -0.75 4.63 5.21 3ho3A1 HIS 234 HB2 0.00 -0.05 0.21 -0.04 3.26 3.39 3ho3A1 HIS 234 HB3 0.02 0.01 -0.01 -0.04 3.20 3.18 3ho3A1 HIS 234 HD2 0.04 0.07 -0.16 -0.04 6.97 6.88 3ho3A1 HIS 234 HE1 0.01 0.07 0.03 -0.04 7.75 7.82 3ho3A1 SER 235 H -0.04 0.15 0.19 -0.55 8.46 8.21 3ho3A1 SER 235 HA -1.29 0.20 0.54 -0.75 4.49 3.18 3ho3A1 SER 235 HB2 -2.00 0.04 -0.02 -0.04 3.95 1.93 3ho3A1 SER 235 HB3 -0.31 -0.04 0.08 -0.04 3.93 3.62 3ho3A1 GLY 236 H 0.19 0.00 -0.02 -0.55 8.43 8.06 3ho3A1 GLY 236 HA2 0.21 0.01 0.34 -0.51 4.01 4.07 3ho3A1 GLY 236 HA3 0.03 0.17 0.41 -0.51 4.01 4.11 3ho3A1 ASP 237 H 0.05 0.04 -0.03 -0.55 8.40 7.92 3ho3A1 ASP 237 HA 0.06 0.26 0.86 -0.75 4.63 5.06 3ho3A1 ASP 237 HB2 0.09 0.04 0.18 -0.04 2.71 2.98 3ho3A1 ASP 237 HB3 0.19 0.09 -0.23 -0.04 2.70 2.71 3ho3A1 GLY 238 H 0.04 0.10 -0.02 -0.55 8.43 8.01 3ho3A1 GLY 238 HA2 0.02 0.05 0.35 -0.51 4.01 3.92 3ho3A1 GLY 238 HA3 0.02 0.17 0.45 -0.51 4.01 4.15 3ho3A1 SER 239 H 0.03 0.36 -0.44 -0.55 8.46 7.86 3ho3A1 SER 239 HA 0.02 0.02 0.58 -0.75 4.49 4.35 3ho3A1 SER 239 HB2 0.04 -0.11 0.05 -0.04 3.95 3.88 3ho3A1 SER 239 HB3 0.04 0.24 0.18 -0.04 3.93 4.35 3ho3A1 GLN 240 H 0.01 0.15 0.07 -0.55 8.47 8.15 3ho3A1 GLN 240 HA -0.00 0.15 0.77 -0.75 4.36 4.53 3ho3A1 GLN 240 HB2 -0.01 -0.01 0.19 -0.04 2.15 2.28 3ho3A1 GLN 240 HB3 -0.02 -0.02 0.17 -0.04 2.02 2.11 3ho3A1 GLN 240 HG2 -0.02 -0.02 -0.12 -0.04 2.40 2.20 3ho3A1 GLN 240 HG3 -0.01 0.09 -0.13 -0.04 2.39 2.30 3ho3A1 GLN 240 HE21 -0.01 0.25 0.04 -0.04 6.97 7.21 3ho3A1 GLN 240 HE22 -0.01 0.02 -0.15 -0.04 7.69 7.52 3ho3A1 ARG 241 H -0.00 0.12 -0.41 -0.55 8.46 7.61 3ho3A1 ARG 241 HA -0.12 0.26 0.66 -0.75 4.34 4.38 3ho3A1 ARG 241 HB2 -0.08 -0.05 0.02 -0.04 1.90 1.75 3ho3A1 ARG 241 HB3 -0.62 0.03 -0.14 -0.04 1.80 1.02 3ho3A1 ARG 241 HG2 -0.10 0.04 -0.09 -0.04 1.67 1.48 3ho3A1 ARG 241 HG3 -0.03 -0.01 -0.07 -0.04 1.67 1.52 3ho3A1 ARG 241 HD2 0.12 0.02 -0.04 -0.04 3.22 3.28 3ho3A1 ARG 241 HD3 0.03 -0.14 -0.08 -0.04 3.22 2.99 3ho3A1 LEU 242 H -0.21 0.56 0.27 -0.55 8.37 8.44 3ho3A1 LEU 242 HA 0.01 0.18 0.84 -0.75 4.35 4.62 3ho3A1 LEU 242 HB2 -0.14 0.00 -0.10 -0.04 1.64 1.36 3ho3A1 LEU 242 HB3 -0.17 0.01 0.14 -0.04 1.64 1.57 3ho3A1 LEU 242 HG -0.16 0.01 -0.39 -0.04 1.64 1.06 3ho3A1 LEU 242 HD13 -0.19 -0.03 -0.27 -0.04 0.93 0.41 3ho3A1 LEU 242 HD23 -0.50 -0.01 -0.19 -0.04 0.89 0.15 3ho3A1 PHE 243 H 0.32 0.77 0.24 -0.55 8.34 9.12 3ho3A1 PHE 243 HA -0.01 0.14 0.65 -0.75 4.62 4.64 3ho3A1 PHE 243 HB2 0.13 0.11 0.13 -0.04 3.15 3.47 3ho3A1 PHE 243 HB3 0.07 -0.02 -0.13 -0.04 3.06 2.94 3ho3A1 PHE 243 HD2 -0.17 0.08 -0.11 -0.04 7.28 7.04 3ho3A1 PHE 243 HE2 -1.32 -0.03 -0.12 -0.04 7.38 5.87 3ho3A1 PHE 243 HZ -0.50 0.05 -0.10 -0.04 7.32 6.73 3ho3A1 ILE 244 H 0.04 0.87 0.40 -0.55 8.25 9.00 3ho3A1 ILE 244 HA 0.04 0.20 0.94 -0.75 4.18 4.60 3ho3A1 ILE 244 HB -0.00 -0.03 0.06 -0.04 1.89 1.88 3ho3A1 ILE 244 HG12 -0.07 -0.02 -0.19 -0.04 1.49 1.17 3ho3A1 ILE 244 HG13 -0.07 0.03 -0.27 -0.04 1.21 0.86 3ho3A1 ILE 244 HG23 0.00 0.00 -0.23 -0.04 0.93 0.66 3ho3A1 ILE 244 HD13 -0.08 -0.01 -0.18 -0.04 0.88 0.57 3ho3A1 LEU 245 H 0.05 0.70 0.33 -0.55 8.37 8.90 3ho3A1 LEU 245 HA 0.09 0.19 0.91 -0.75 4.35 4.79 3ho3A1 LEU 245 HB2 0.04 -0.10 -0.01 -0.04 1.64 1.53 3ho3A1 LEU 245 HB3 0.05 0.06 -0.09 -0.04 1.64 1.62 3ho3A1 LEU 245 HG 0.05 0.07 -0.18 -0.04 1.64 1.54 3ho3A1 LEU 245 HD13 0.02 0.02 -0.29 -0.04 0.93 0.64 3ho3A1 LEU 245 HD23 0.06 -0.03 -0.32 -0.04 0.89 0.56 3ho3A1 GLU 246 H 0.11 0.83 0.33 -0.55 8.60 9.33 3ho3A1 GLU 246 HA 0.06 0.23 0.81 -0.75 4.29 4.64 3ho3A1 GLU 246 HB2 0.21 -0.07 0.12 -0.04 2.09 2.31 3ho3A1 GLU 246 HB3 0.15 0.12 0.06 -0.04 1.99 2.28 3ho3A1 GLU 246 HG2 0.03 -0.03 -0.35 -0.04 2.34 1.95 3ho3A1 GLU 246 HG3 0.05 0.01 -0.37 -0.04 2.34 1.98 3ho3A1 LYS 247 H 0.06 0.89 0.38 -0.55 8.42 9.19 3ho3A1 LYS 247 HA 0.04 0.11 0.34 -0.75 4.32 4.05 3ho3A1 LYS 247 HB2 0.03 0.17 0.17 -0.04 1.87 2.21 3ho3A1 LYS 247 HB3 0.04 0.01 0.11 -0.04 1.79 1.91 3ho3A1 LYS 247 HG2 0.02 -0.21 0.13 -0.04 1.46 1.36 3ho3A1 LYS 247 HG3 0.02 0.16 0.08 -0.04 1.46 1.68 3ho3A1 LYS 247 HD2 0.02 0.10 -0.02 -0.04 1.69 1.75 3ho3A1 LYS 247 HD3 0.02 0.07 -0.02 -0.04 1.68 1.71 3ho3A1 LYS 247 HE2 0.01 -0.45 0.01 -0.04 2.99 2.52 3ho3A1 LYS 247 HE3 0.02 0.19 -0.07 -0.04 2.99 3.08 3ho3A1 GLU 248 H 0.12 0.17 -0.32 -0.55 8.60 8.02 3ho3A1 GLU 248 HA 0.02 0.05 0.34 -0.75 4.29 3.95 3ho3A1 GLU 248 HB2 0.32 -0.03 -0.01 -0.04 2.09 2.33 3ho3A1 GLU 248 HB3 0.16 0.04 0.07 -0.04 1.99 2.22 3ho3A1 GLU 248 HG2 0.05 0.01 -0.03 -0.04 2.34 2.34 3ho3A1 GLU 248 HG3 0.09 0.02 -0.02 -0.04 2.34 2.39 3ho3A1 GLY 249 H 0.02 0.40 -0.37 -0.55 8.43 7.93 3ho3A1 GLY 249 HA2 -0.10 -0.00 0.19 -0.51 4.01 3.59 3ho3A1 GLY 249 HA3 -0.19 0.25 0.71 -0.51 4.01 4.27 3ho3A1 TYR 250 H 0.11 0.35 0.18 -0.55 8.29 8.38 3ho3A1 TYR 250 HA -0.00 0.30 1.00 -0.75 4.56 5.10 3ho3A1 TYR 250 HB2 0.01 -0.11 0.08 -0.04 3.06 3.00 3ho3A1 TYR 250 HB3 0.01 0.05 -0.02 -0.04 2.98 2.98 3ho3A1 TYR 250 HD2 -0.01 -0.02 -0.04 -0.04 7.15 7.04 3ho3A1 TYR 250 HE2 -0.08 0.00 -0.05 -0.04 6.85 6.68 3ho3A1 VAL 251 H 0.16 0.67 0.31 -0.55 8.24 8.82 3ho3A1 VAL 251 HA 0.16 0.31 0.83 -0.75 4.13 4.67 3ho3A1 VAL 251 HB 0.29 -0.16 0.06 -0.04 2.12 2.27 3ho3A1 VAL 251 HG13 0.38 0.01 -0.29 -0.04 0.97 1.02 3ho3A1 VAL 251 HG23 0.08 0.01 -0.23 -0.04 0.95 0.77 3ho3A1 LYS 252 H 0.12 0.91 0.29 -0.55 8.42 9.19 3ho3A1 LYS 252 HA 0.11 0.06 1.00 -0.75 4.32 4.74 3ho3A1 LYS 252 HB2 0.03 0.00 0.05 -0.04 1.87 1.90 3ho3A1 LYS 252 HB3 0.01 0.10 -0.06 -0.04 1.79 1.79 3ho3A1 LYS 252 HG2 0.02 0.12 -0.06 -0.04 1.46 1.50 3ho3A1 LYS 252 HG3 0.04 -0.11 -0.27 -0.04 1.46 1.08 3ho3A1 LYS 252 HD2 -0.03 -0.09 -0.10 -0.04 1.69 1.42 3ho3A1 LYS 252 HD3 -0.03 0.06 -0.08 -0.04 1.68 1.59 3ho3A1 LYS 252 HE2 -0.09 0.13 -0.04 -0.04 2.99 2.96 3ho3A1 LYS 252 HE3 -0.21 -0.06 -0.06 -0.04 2.99 2.62 3ho3A1 ILE 253 H 0.07 0.20 0.20 -0.55 8.25 8.18 3ho3A1 ILE 253 HA -0.33 0.15 0.67 -0.75 4.18 3.91 3ho3A1 ILE 253 HB 0.22 0.00 0.14 -0.04 1.89 2.22 3ho3A1 ILE 253 HG12 -0.85 -0.01 -0.10 -0.04 1.49 0.49 3ho3A1 ILE 253 HG13 -0.01 -0.09 -0.06 -0.04 1.21 1.00 3ho3A1 ILE 253 HG23 -0.07 -0.04 -0.24 -0.04 0.93 0.54 3ho3A1 ILE 253 HD13 0.22 0.03 0.00 -0.04 0.88 1.10 3ho3A1 LEU 254 H -0.24 0.51 0.28 -0.55 8.37 8.37 3ho3A1 LEU 254 HA -0.19 0.43 1.04 -0.75 4.35 4.89 3ho3A1 LEU 254 HB2 -0.13 0.01 -0.02 -0.04 1.64 1.46 3ho3A1 LEU 254 HB3 -0.16 -0.05 0.21 -0.04 1.64 1.60 3ho3A1 LEU 254 HG -0.12 0.04 -0.26 -0.04 1.64 1.25 3ho3A1 LEU 254 HD13 -0.13 0.02 -0.20 -0.04 0.93 0.58 3ho3A1 LEU 254 HD23 -0.12 -0.02 -0.14 -0.04 0.89 0.57 3ho3A1 THR 255 H -0.30 0.39 0.17 -0.55 8.28 7.99 3ho3A1 THR 255 HA -0.12 0.10 0.56 -0.75 4.39 4.18 3ho3A1 THR 255 HB -0.19 0.08 0.12 -0.04 4.32 4.28 3ho3A1 THR 255 HG23 -0.60 -0.02 0.13 -0.04 1.22 0.68 3ho3A1 PRO 256 HA -0.05 0.16 0.46 -0.51 4.44 4.50 3ho3A1 PRO 256 HB2 -0.02 0.05 0.00 -0.04 2.28 2.27 3ho3A1 PRO 256 HB3 -0.02 0.08 0.17 -0.04 2.02 2.21 3ho3A1 PRO 256 HG2 -0.02 0.01 0.04 -0.04 2.03 2.02 3ho3A1 PRO 256 HG3 -0.01 -0.10 0.06 -0.04 2.03 1.94 3ho3A1 PRO 256 HD2 -0.04 -0.00 0.19 -0.04 3.68 3.79 3ho3A1 PRO 256 HD3 -0.05 0.29 -0.11 -0.04 3.65 3.74 3ho3A1 GLU 257 H -0.08 -0.06 -0.39 -0.55 8.60 7.52 3ho3A1 GLU 257 HA -0.05 0.15 0.65 -0.75 4.29 4.29 3ho3A1 GLU 257 HB2 -0.05 -0.01 0.04 -0.04 2.09 2.03 3ho3A1 GLU 257 HB3 -0.10 -0.12 0.02 -0.04 1.99 1.75 3ho3A1 GLU 257 HG2 -0.06 -0.03 -0.06 -0.04 2.34 2.14 3ho3A1 GLU 257 HG3 -0.06 0.06 -0.17 -0.04 2.34 2.13 3ho3A1 GLY 258 H -0.13 -0.06 -0.09 -0.55 8.43 7.60 3ho3A1 GLY 258 HA2 -0.09 0.10 0.17 -0.51 4.01 3.68 3ho3A1 GLY 258 HA3 -0.08 0.23 0.88 -0.51 4.01 4.53 3ho3A1 GLU 259 H -0.21 -0.12 0.16 -0.55 8.60 7.87 3ho3A1 GLU 259 HA -0.15 0.27 0.93 -0.75 4.29 4.58 3ho3A1 GLU 259 HB2 -0.48 -0.09 -0.08 -0.04 2.09 1.40 3ho3A1 GLU 259 HB3 -0.23 0.07 -0.01 -0.04 1.99 1.79 3ho3A1 GLU 259 HG2 -0.14 0.10 -0.12 -0.04 2.34 2.14 3ho3A1 GLU 259 HG3 -0.19 -0.13 -0.08 -0.04 2.34 1.89 3ho3A1 ILE 260 H -0.14 0.21 0.09 -0.55 8.25 7.87 3ho3A1 ILE 260 HA -0.15 0.44 0.98 -0.75 4.18 4.70 3ho3A1 ILE 260 HB -0.07 -0.03 0.14 -0.04 1.89 1.89 3ho3A1 ILE 260 HG12 -0.10 -0.06 -0.09 -0.04 1.49 1.20 3ho3A1 ILE 260 HG13 -0.07 0.04 -0.05 -0.04 1.21 1.09 3ho3A1 ILE 260 HG23 -0.04 0.05 -0.11 -0.04 0.93 0.79 3ho3A1 ILE 260 HD13 -0.09 0.01 -0.17 -0.04 0.88 0.59 3ho3A1 PHE 261 H -0.17 0.21 -0.00 -0.55 8.34 7.82 3ho3A1 PHE 261 HA -0.07 -0.08 0.37 -0.75 4.62 4.09 3ho3A1 PHE 261 HB2 -0.05 -0.01 0.13 -0.04 3.15 3.18 3ho3A1 PHE 261 HB3 -0.05 0.07 -0.03 -0.04 3.06 3.02 3ho3A1 PHE 261 HD2 -0.11 -0.02 0.02 -0.04 7.28 7.14 3ho3A1 PHE 261 HE2 -0.19 -0.01 -0.02 -0.04 7.38 7.11 3ho3A1 PHE 261 HZ -0.30 -0.00 -0.01 -0.04 7.32 6.97 3ho3A1 LYS 262 H 0.14 0.02 0.18 -0.55 8.42 8.20 3ho3A1 LYS 262 HA 0.02 0.09 0.38 -0.75 4.32 4.05 3ho3A1 LYS 262 HB2 0.04 -0.01 0.18 -0.04 1.87 2.03 3ho3A1 LYS 262 HB3 0.04 -0.10 0.16 -0.04 1.79 1.85 3ho3A1 LYS 262 HG2 0.01 0.02 -0.12 -0.04 1.46 1.33 3ho3A1 LYS 262 HG3 0.00 0.02 0.06 -0.04 1.46 1.50 3ho3A1 LYS 262 HD2 0.01 -0.01 0.04 -0.04 1.69 1.68 3ho3A1 LYS 262 HD3 0.01 -0.02 0.01 -0.04 1.68 1.64 3ho3A1 LYS 262 HE2 -0.00 0.00 -0.01 -0.04 2.99 2.94 3ho3A1 LYS 262 HE3 -0.01 0.01 0.01 -0.04 2.99 2.97 3ho3A1 GLU 263 H 0.05 -0.03 -0.08 -0.55 8.60 7.99 3ho3A1 GLU 263 HA 0.03 0.10 0.48 -0.75 4.29 4.14 3ho3A1 GLU 263 HB2 0.00 -0.10 0.08 -0.04 2.09 2.02 3ho3A1 GLU 263 HB3 0.00 0.02 -0.05 -0.04 1.99 1.92 3ho3A1 GLU 263 HG2 0.00 -0.04 -0.03 -0.04 2.34 2.23 3ho3A1 GLU 263 HG3 0.02 0.14 0.01 -0.04 2.34 2.47 3ho3A1 PRO 264 HA 0.12 0.04 0.63 -0.51 4.44 4.71 3ho3A1 PRO 264 HB2 0.13 -0.05 -0.20 -0.04 2.28 2.12 3ho3A1 PRO 264 HB3 0.15 0.03 0.08 -0.04 2.02 2.23 3ho3A1 PRO 264 HG2 0.14 -0.03 0.05 -0.04 2.03 2.15 3ho3A1 PRO 264 HG3 0.03 0.09 0.09 -0.04 2.03 2.20 3ho3A1 PRO 264 HD2 0.05 0.04 0.16 -0.04 3.68 3.89 3ho3A1 PRO 264 HD3 0.03 0.14 0.28 -0.04 3.65 4.07 3ho3A1 TYR 265 H 0.28 0.22 0.32 -0.55 8.29 8.56 3ho3A1 TYR 265 HA 0.11 0.29 0.59 -0.75 4.56 4.80 3ho3A1 TYR 265 HB2 0.21 -0.04 0.01 -0.04 3.06 3.20 3ho3A1 TYR 265 HB3 0.23 -0.03 -0.07 -0.04 2.98 3.07 3ho3A1 TYR 265 HD2 0.25 0.08 -0.37 -0.04 7.15 7.07 3ho3A1 TYR 265 HE2 0.15 0.07 -0.24 -0.04 6.85 6.79 3ho3A1 LEU 266 H 0.16 0.36 0.09 -0.55 8.37 8.43 3ho3A1 LEU 266 HA -0.19 0.15 0.68 -0.75 4.35 4.24 3ho3A1 LEU 266 HB2 -0.08 -0.02 -0.21 -0.04 1.64 1.30 3ho3A1 LEU 266 HB3 -0.07 -0.05 -0.10 -0.04 1.64 1.38 3ho3A1 LEU 266 HG -0.43 0.03 -0.15 -0.04 1.64 1.05 3ho3A1 LEU 266 HD13 -0.31 0.00 -0.21 -0.04 0.93 0.38 3ho3A1 LEU 266 HD23 -0.45 0.00 -0.12 -0.04 0.89 0.28 3ho3A1 ASP 267 H -0.12 0.22 -0.04 -0.55 8.40 7.91 3ho3A1 ASP 267 HA -0.11 0.28 0.87 -0.75 4.63 4.91 3ho3A1 ASP 267 HB2 0.06 0.06 -0.07 -0.04 2.71 2.72 3ho3A1 ASP 267 HB3 -0.02 -0.00 0.21 -0.04 2.70 2.84 3ho3A1 ILE 268 H -0.21 0.34 -0.09 -0.55 8.25 7.74 3ho3A1 ILE 268 HA -0.14 0.11 0.80 -0.75 4.18 4.19 3ho3A1 ILE 268 HB -0.34 -0.02 0.13 -0.04 1.89 1.62 3ho3A1 ILE 268 HG12 -0.28 -0.07 -0.11 -0.04 1.49 0.99 3ho3A1 ILE 268 HG13 -0.26 0.18 0.02 -0.04 1.21 1.11 3ho3A1 ILE 268 HG23 -0.24 -0.01 -0.08 -0.04 0.93 0.56 3ho3A1 ILE 268 HD13 -0.50 0.00 -0.10 -0.04 0.88 0.24 3ho3A1 HIS 269 H -0.07 0.26 -0.50 -0.55 8.41 7.55 3ho3A1 HIS 269 HA -0.35 0.22 0.31 -0.75 4.63 4.05 3ho3A1 HIS 269 HB2 -0.21 -0.00 0.06 -0.04 3.26 3.07 3ho3A1 HIS 269 HB3 -0.11 -0.11 0.15 -0.04 3.20 3.09 3ho3A1 HIS 269 HD2 -0.55 0.08 -0.08 -0.04 6.97 6.37 3ho3A1 HIS 269 HE1 0.05 -0.02 -0.02 -0.04 7.75 7.71 3ho3A1 LYS 270 H -0.02 0.07 0.02 -0.55 8.42 7.94 3ho3A1 LYS 270 HA -0.18 0.12 0.19 -0.75 4.32 3.70 3ho3A1 LYS 270 HB2 -0.03 -0.02 0.02 -0.04 1.87 1.80 3ho3A1 LYS 270 HB3 -0.04 0.03 0.07 -0.04 1.79 1.81 3ho3A1 LYS 270 HG2 -0.05 0.04 0.03 -0.04 1.46 1.44 3ho3A1 LYS 270 HG3 0.03 -0.06 0.07 -0.04 1.46 1.46 3ho3A1 LYS 270 HD2 0.01 -0.01 0.02 -0.04 1.69 1.67 3ho3A1 LYS 270 HD3 -0.00 0.02 0.01 -0.04 1.68 1.67 3ho3A1 LYS 270 HE2 0.02 0.01 0.01 -0.04 2.99 2.99 3ho3A1 LYS 270 HE3 0.05 -0.01 0.01 -0.04 2.99 3.00 3ho3A1 LEU 271 H -0.11 0.08 -0.66 -0.55 8.37 7.13 3ho3A1 LEU 271 HA -0.02 0.05 0.45 -0.75 4.35 4.08 3ho3A1 LEU 271 HB2 -0.21 0.12 -0.01 -0.04 1.64 1.49 3ho3A1 LEU 271 HB3 -0.04 -0.02 -0.03 -0.04 1.64 1.51 3ho3A1 LEU 271 HG -0.04 -0.09 -0.09 -0.04 1.64 1.38 3ho3A1 LEU 271 HD13 -0.05 -0.01 -0.03 -0.04 0.93 0.80 3ho3A1 LEU 271 HD23 0.05 0.01 -0.02 -0.04 0.89 0.89 3ho3A1 VAL 272 H -0.13 0.45 -0.04 -0.55 8.24 7.97 3ho3A1 VAL 272 HA 0.04 0.26 1.08 -0.75 4.13 4.76 3ho3A1 VAL 272 HB 0.09 0.01 -0.01 -0.04 2.12 2.16 3ho3A1 VAL 272 HG13 -0.20 -0.01 0.02 -0.04 0.97 0.74 3ho3A1 VAL 272 HG23 -0.05 0.01 -0.33 -0.04 0.95 0.54 3ho3A1 GLN 273 H -0.04 0.36 0.22 -0.55 8.47 8.47 3ho3A1 GLN 273 HA -0.06 0.10 0.83 -0.75 4.36 4.47 3ho3A1 GLN 273 HB2 -0.04 -0.07 0.08 -0.04 2.15 2.09 3ho3A1 GLN 273 HB3 -0.06 0.02 0.16 -0.04 2.02 2.10 3ho3A1 GLN 273 HG2 -0.03 -0.03 -0.02 -0.04 2.40 2.27 3ho3A1 GLN 273 HG3 -0.04 0.09 -0.09 -0.04 2.39 2.32 3ho3A1 GLN 273 HE21 -0.03 -0.03 0.01 -0.04 6.97 6.88 3ho3A1 GLN 273 HE22 -0.02 -0.00 -0.01 -0.04 7.69 7.62 3ho3A1 SER 274 H -0.05 0.17 -0.03 -0.55 8.46 8.01 3ho3A1 SER 274 HA -0.03 0.13 0.10 -0.75 4.49 3.94 3ho3A1 SER 274 HB2 -0.00 -0.08 -0.07 -0.04 3.95 3.76 3ho3A1 SER 274 HB3 -0.03 0.10 -0.01 -0.04 3.93 3.95 3ho3A1 GLY 275 H -0.00 0.01 0.03 -0.55 8.43 7.92 3ho3A1 GLY 275 HA2 0.00 0.05 0.44 -0.51 4.01 3.99 3ho3A1 GLY 275 HA3 0.01 -0.09 0.20 -0.51 4.01 3.62 3ho3A1 ILE 276 H 0.01 0.08 0.12 -0.55 8.25 7.90 3ho3A1 ILE 276 HA 0.01 0.13 0.41 -0.75 4.18 3.98 3ho3A1 ILE 276 HB 0.01 -0.13 0.22 -0.04 1.89 1.95 3ho3A1 ILE 276 HG12 -0.00 0.06 0.03 -0.04 1.49 1.53 3ho3A1 ILE 276 HG13 0.00 -0.03 0.15 -0.04 1.21 1.29 3ho3A1 ILE 276 HG23 0.01 0.01 -0.03 -0.04 0.93 0.87 3ho3A1 ILE 276 HD13 0.00 0.00 0.05 -0.04 0.88 0.89 3ho3A1 LYS 277 H 0.02 0.19 0.14 -0.55 8.42 8.21 3ho3A1 LYS 277 HA 0.03 0.17 0.61 -0.75 4.32 4.38 3ho3A1 LYS 277 HB2 0.02 -0.05 -0.04 -0.04 1.87 1.75 3ho3A1 LYS 277 HB3 0.02 -0.00 -0.02 -0.04 1.79 1.75 3ho3A1 LYS 277 HG2 0.03 -0.03 0.06 -0.04 1.46 1.47 3ho3A1 LYS 277 HG3 0.02 0.37 0.02 -0.04 1.46 1.84 3ho3A1 LYS 277 HD2 0.02 -0.07 -0.14 -0.04 1.69 1.45 3ho3A1 LYS 277 HD3 0.02 -0.02 -0.04 -0.04 1.68 1.60 3ho3A1 LYS 277 HE2 0.02 -0.01 -0.01 -0.04 2.99 2.95 3ho3A1 LYS 277 HE3 0.02 0.12 -0.04 -0.04 2.99 3.04 3ho3A1 GLY 278 H 0.03 0.26 0.15 -0.55 8.43 8.33 3ho3A1 GLY 278 HA2 0.01 0.06 0.31 -0.51 4.01 3.89 3ho3A1 GLY 278 HA3 0.02 0.13 0.87 -0.51 4.01 4.52 3ho3A1 GLY 279 H 0.01 0.16 0.11 -0.55 8.43 8.16 3ho3A1 GLY 279 HA2 0.01 0.24 0.77 -0.51 4.01 4.51 3ho3A1 GLY 279 HA3 0.02 -0.02 0.39 -0.51 4.01 3.89 3ho3A1 ASP 280 H 0.02 0.05 -0.64 -0.55 8.40 7.29 3ho3A1 ASP 280 HA 0.04 0.16 0.52 -0.75 4.63 4.59 3ho3A1 ASP 280 HB2 0.02 0.02 -0.13 -0.04 2.71 2.57 3ho3A1 ASP 280 HB3 0.02 -0.00 -0.17 -0.04 2.70 2.51 3ho3A1 GLU 281 H 0.03 0.05 0.19 -0.55 8.60 8.33 3ho3A1 GLU 281 HA 0.03 0.13 0.63 -0.75 4.29 4.31 3ho3A1 GLU 281 HB2 0.05 0.06 -0.38 -0.04 2.09 1.78 3ho3A1 GLU 281 HB3 0.07 0.03 -0.02 -0.04 1.99 2.03 3ho3A1 GLU 281 HG2 0.04 0.05 0.09 -0.04 2.34 2.48 3ho3A1 GLU 281 HG3 0.03 0.11 0.07 -0.04 2.34 2.51 3ho3A1 ARG 282 H 0.00 -0.03 0.13 -0.55 8.46 8.01 3ho3A1 ARG 282 HA -0.08 0.22 0.30 -0.75 4.34 4.03 3ho3A1 ARG 282 HB2 -0.01 -0.21 0.05 -0.04 1.90 1.68 3ho3A1 ARG 282 HB3 -0.05 0.08 -0.11 -0.04 1.80 1.69 3ho3A1 ARG 282 HG2 -0.18 0.23 0.06 -0.04 1.67 1.74 3ho3A1 ARG 282 HG3 -0.30 -0.00 -0.01 -0.04 1.67 1.32 3ho3A1 ARG 282 HD2 0.08 0.02 -0.13 -0.04 3.22 3.15 3ho3A1 ARG 282 HD3 0.03 -0.13 -0.06 -0.04 3.22 3.01 3ho3A1 GLY 283 H -0.01 -0.05 -0.13 -0.55 8.43 7.70 3ho3A1 GLY 283 HA2 -0.02 0.08 0.31 -0.51 4.01 3.87 3ho3A1 GLY 283 HA3 0.00 0.04 0.44 -0.51 4.01 3.98 3ho3A1 LEU 284 H 0.02 0.50 0.30 -0.55 8.37 8.64 3ho3A1 LEU 284 HA 0.09 0.04 0.83 -0.75 4.35 4.55 3ho3A1 LEU 284 HB2 0.00 -0.03 0.04 -0.04 1.64 1.61 3ho3A1 LEU 284 HB3 0.02 -0.01 0.06 -0.04 1.64 1.67 3ho3A1 LEU 284 HG 0.03 0.03 -0.42 -0.04 1.64 1.24 3ho3A1 LEU 284 HD13 0.05 0.04 -0.07 -0.04 0.93 0.91 3ho3A1 LEU 284 HD23 0.01 -0.02 -0.21 -0.04 0.89 0.63 3ho3A1 LEU 285 H 0.07 0.61 0.38 -0.55 8.37 8.88 3ho3A1 LEU 285 HA 0.03 0.16 0.61 -0.75 4.35 4.40 3ho3A1 LEU 285 HB2 0.03 0.01 0.04 -0.04 1.64 1.68 3ho3A1 LEU 285 HB3 0.03 0.01 -0.07 -0.04 1.64 1.57 3ho3A1 LEU 285 HG 0.03 -0.04 -0.15 -0.04 1.64 1.45 3ho3A1 LEU 285 HD13 0.02 0.01 -0.21 -0.04 0.93 0.71 3ho3A1 LEU 285 HD23 0.02 0.02 -0.28 -0.04 0.89 0.60 3ho3A1 SER 286 H 0.03 0.35 0.33 -0.55 8.46 8.62 3ho3A1 SER 286 HA 0.01 0.16 0.72 -0.75 4.49 4.63 3ho3A1 SER 286 HB2 0.01 0.04 -0.43 -0.04 3.95 3.52 3ho3A1 SER 286 HB3 -0.00 0.13 -0.02 -0.04 3.93 4.00 3ho3A1 LEU 287 H -0.03 0.32 0.20 -0.55 8.37 8.31 3ho3A1 LEU 287 HA -0.07 0.28 0.82 -0.75 4.35 4.62 3ho3A1 LEU 287 HB2 -0.07 -0.01 -0.20 -0.04 1.64 1.32 3ho3A1 LEU 287 HB3 -0.14 -0.02 -0.05 -0.04 1.64 1.38 3ho3A1 LEU 287 HG -0.24 0.07 -0.05 -0.04 1.64 1.38 3ho3A1 LEU 287 HD13 -0.11 -0.02 -0.19 -0.04 0.93 0.56 3ho3A1 LEU 287 HD23 -1.03 -0.00 -0.35 -0.04 0.89 -0.53 3ho3A1 ALA 288 H -0.09 0.75 0.30 -0.55 8.40 8.82 3ho3A1 ALA 288 HA -0.07 0.13 0.73 -0.75 4.34 4.37 3ho3A1 ALA 288 HB3 0.03 0.03 -0.19 -0.04 1.41 1.24 3ho3A1 PHE 289 H 0.07 0.18 0.09 -0.55 8.34 8.14 3ho3A1 PHE 289 HA 0.10 0.14 0.88 -0.75 4.62 4.98 3ho3A1 PHE 289 HB2 -0.18 0.05 0.08 -0.04 3.15 3.05 3ho3A1 PHE 289 HB3 -0.21 0.07 0.05 -0.04 3.06 2.93 3ho3A1 PHE 289 HD2 -0.46 0.11 -0.09 -0.04 7.28 6.80 3ho3A1 PHE 289 HE2 -0.57 0.02 -0.27 -0.04 7.38 6.51 3ho3A1 PHE 289 HZ -2.32 -0.04 -0.20 -0.04 7.32 4.73 3ho3A1 HIS 290 H 0.46 0.63 0.31 -0.55 8.41 9.25 3ho3A1 HIS 290 HA -0.62 0.12 0.44 -0.75 4.63 3.82 3ho3A1 HIS 290 HB2 0.30 0.16 0.15 -0.04 3.26 3.83 3ho3A1 HIS 290 HB3 0.14 -0.19 0.08 -0.04 3.20 3.19 3ho3A1 HIS 290 HD2 0.18 0.04 -0.00 -0.04 6.97 7.15 3ho3A1 HIS 290 HE1 -0.03 0.04 -0.02 -0.04 7.75 7.70 3ho3A1 PRO 291 HA -0.12 0.13 0.49 -0.51 4.44 4.43 3ho3A1 PRO 291 HB2 -0.25 -0.01 0.03 -0.04 2.28 2.02 3ho3A1 PRO 291 HB3 -0.16 0.06 0.13 -0.04 2.02 2.00 3ho3A1 PRO 291 HG2 -0.53 0.06 0.10 -0.04 2.03 1.62 3ho3A1 PRO 291 HG3 -0.39 0.09 0.09 -0.04 2.03 1.78 3ho3A1 PRO 291 HD2 -1.94 0.05 0.21 -0.04 3.68 1.96 3ho3A1 PRO 291 HD3 -2.17 0.17 0.21 -0.04 3.65 1.82 3ho3A1 ASN 292 H 0.41 0.08 -0.39 -0.55 8.53 8.09 3ho3A1 ASN 292 HA 0.08 0.27 0.91 -0.75 4.76 5.27 3ho3A1 ASN 292 HB2 0.16 0.03 0.01 -0.04 2.88 3.04 3ho3A1 ASN 292 HB3 0.14 0.04 0.09 -0.04 2.79 3.01 3ho3A1 ASN 292 HD21 0.02 0.01 0.02 -0.04 7.03 7.04 3ho3A1 ASN 292 HD22 0.04 0.09 0.03 -0.04 7.74 7.85 3ho3A1 TYR 293 H 0.24 0.78 -0.31 -0.55 8.29 8.45 3ho3A1 TYR 293 HA 0.08 -0.19 0.37 -0.75 4.56 4.06 3ho3A1 TYR 293 HB2 0.14 0.08 0.15 -0.04 3.06 3.39 3ho3A1 TYR 293 HB3 -0.01 0.22 0.07 -0.04 2.98 3.22 3ho3A1 TYR 293 HD2 0.06 0.03 -0.21 -0.04 7.15 6.99 3ho3A1 TYR 293 HE2 0.08 0.01 -0.18 -0.04 6.85 6.72 3ho3A1 LYS 294 H 0.10 0.23 -0.33 -0.55 8.42 7.87 3ho3A1 LYS 294 HA -0.08 0.05 0.38 -0.75 4.32 3.91 3ho3A1 LYS 294 HB2 0.06 0.04 0.14 -0.04 1.87 2.08 3ho3A1 LYS 294 HB3 0.02 0.02 0.02 -0.04 1.79 1.81 3ho3A1 LYS 294 HG2 -0.01 0.01 0.02 -0.04 1.46 1.44 3ho3A1 LYS 294 HG3 0.01 -0.00 0.13 -0.04 1.46 1.56 3ho3A1 LYS 294 HD2 0.03 -0.03 0.02 -0.04 1.69 1.67 3ho3A1 LYS 294 HD3 0.01 -0.01 -0.01 -0.04 1.68 1.63 3ho3A1 LYS 294 HE2 0.01 -0.02 -0.00 -0.04 2.99 2.93 3ho3A1 LYS 294 HE3 0.02 0.08 0.04 -0.04 2.99 3.09 3ho3A1 LYS 295 H -0.04 0.58 -0.21 -0.55 8.42 8.20 3ho3A1 LYS 295 HA -0.06 0.16 1.00 -0.75 4.32 4.67 3ho3A1 LYS 295 HB2 -0.01 0.08 0.10 -0.04 1.87 2.00 3ho3A1 LYS 295 HB3 -0.02 -0.05 0.08 -0.04 1.79 1.75 3ho3A1 LYS 295 HG2 -0.02 0.03 -0.06 -0.04 1.46 1.37 3ho3A1 LYS 295 HG3 -0.01 -0.06 -0.16 -0.04 1.46 1.19 3ho3A1 LYS 295 HD2 0.01 0.02 0.01 -0.04 1.69 1.68 3ho3A1 LYS 295 HD3 -0.00 -0.02 0.01 -0.04 1.68 1.62 3ho3A1 LYS 295 HE2 -0.00 0.00 -0.02 -0.04 2.99 2.93 3ho3A1 LYS 295 HE3 0.01 0.01 -0.02 -0.04 2.99 2.94 3ho3A1 ASN 296 H -0.09 0.23 0.08 -0.55 8.53 8.19 3ho3A1 ASN 296 HA -0.07 0.21 0.96 -0.75 4.76 5.10 3ho3A1 ASN 296 HB2 -0.09 0.04 0.08 -0.04 2.88 2.87 3ho3A1 ASN 296 HB3 -0.08 0.06 -0.10 -0.04 2.79 2.63 3ho3A1 ASN 296 HD21 -1.21 -0.17 -0.03 -0.04 7.03 5.58 3ho3A1 ASN 296 HD22 -0.34 0.51 0.17 -0.04 7.74 8.04 3ho3A1 GLY 297 H -0.34 0.57 0.11 -0.55 8.43 8.22 3ho3A1 GLY 297 HA2 -0.97 0.07 0.36 -0.51 4.01 2.96 3ho3A1 GLY 297 HA3 -0.23 -0.02 0.36 -0.51 4.01 3.62 3ho3A1 LYS 298 H 0.19 -0.03 -0.10 -0.55 8.42 7.93 3ho3A1 LYS 298 HA 0.05 0.41 1.05 -0.75 4.32 5.08 3ho3A1 LYS 298 HB2 0.10 -0.19 0.10 -0.04 1.87 1.83 3ho3A1 LYS 298 HB3 -0.01 0.06 0.02 -0.04 1.79 1.81 3ho3A1 LYS 298 HG2 -0.01 0.17 -0.12 -0.04 1.46 1.46 3ho3A1 LYS 298 HG3 -0.07 -0.06 -0.09 -0.04 1.46 1.20 3ho3A1 LYS 298 HD2 0.00 -0.15 0.01 -0.04 1.69 1.52 3ho3A1 LYS 298 HD3 0.03 0.01 0.01 -0.04 1.68 1.69 3ho3A1 LYS 298 HE2 0.02 0.03 -0.13 -0.04 2.99 2.86 3ho3A1 LYS 298 HE3 0.11 -0.06 -0.02 -0.04 2.99 2.98 3ho3A1 LEU 299 H -0.02 0.67 0.36 -0.55 8.37 8.84 3ho3A1 LEU 299 HA 0.01 0.14 0.86 -0.75 4.35 4.60 3ho3A1 LEU 299 HB2 0.03 -0.08 -0.05 -0.04 1.64 1.49 3ho3A1 LEU 299 HB3 -0.10 0.01 -0.09 -0.04 1.64 1.41 3ho3A1 LEU 299 HG 0.08 0.00 -0.19 -0.04 1.64 1.48 3ho3A1 LEU 299 HD13 0.28 -0.02 -0.33 -0.04 0.93 0.82 3ho3A1 LEU 299 HD23 -0.04 -0.01 -0.22 -0.04 0.89 0.58 3ho3A1 TYR 300 H 0.01 0.43 0.27 -0.55 8.29 8.45 3ho3A1 TYR 300 HA -0.04 0.28 0.75 -0.75 4.56 4.80 3ho3A1 TYR 300 HB2 -0.04 -0.04 0.05 -0.04 3.06 2.99 3ho3A1 TYR 300 HB3 -0.15 -0.01 -0.04 -0.04 2.98 2.74 3ho3A1 TYR 300 HD2 -0.15 0.06 -0.22 -0.04 7.15 6.80 3ho3A1 TYR 300 HE2 -0.03 -0.02 -0.08 -0.04 6.85 6.68 3ho3A1 VAL 301 H 0.10 0.76 0.33 -0.55 8.24 8.87 3ho3A1 VAL 301 HA 0.03 0.23 0.99 -0.75 4.13 4.63 3ho3A1 VAL 301 HB 0.22 0.02 -0.01 -0.04 2.12 2.30 3ho3A1 VAL 301 HG13 0.15 0.00 -0.22 -0.04 0.97 0.86 3ho3A1 VAL 301 HG23 -0.05 -0.03 -0.24 -0.04 0.95 0.60 3ho3A1 SER 302 H 0.06 0.53 0.27 -0.55 8.46 8.78 3ho3A1 SER 302 HA 0.03 0.36 1.10 -0.75 4.49 5.22 3ho3A1 SER 302 HB2 -0.00 0.05 0.07 -0.04 3.95 4.03 3ho3A1 SER 302 HB3 0.00 -0.03 0.02 -0.04 3.93 3.88 3ho3A1 TYR 303 H -0.20 0.46 0.26 -0.55 8.29 8.26 3ho3A1 TYR 303 HA -0.02 0.15 0.86 -0.75 4.56 4.80 3ho3A1 TYR 303 HB2 -0.04 0.06 0.07 -0.04 3.06 3.12 3ho3A1 TYR 303 HB3 -0.02 -0.07 -0.14 -0.04 2.98 2.72 3ho3A1 TYR 303 HD2 -0.00 0.04 -0.37 -0.04 7.15 6.78 3ho3A1 TYR 303 HE2 0.04 0.02 -0.18 -0.04 6.85 6.69 3ho3A1 THR 304 H 0.11 0.37 0.19 -0.55 8.28 8.39 3ho3A1 THR 304 HA -0.15 0.16 1.09 -0.75 4.39 4.74 3ho3A1 THR 304 HB -0.18 0.45 0.22 -0.04 4.32 4.77 3ho3A1 THR 304 HG23 -0.69 -0.07 -0.13 -0.04 1.22 0.29 3ho3A1 THR 305 H -0.08 0.44 0.35 -0.55 8.28 8.45 3ho3A1 THR 305 HA 0.04 0.24 1.30 -0.75 4.39 5.21 3ho3A1 THR 305 HB 0.27 0.07 0.01 -0.04 4.32 4.63 3ho3A1 THR 305 HG23 -0.10 -0.01 0.02 -0.04 1.22 1.10 3ho3A1 ASN 306 H -0.00 0.27 0.22 -0.55 8.53 8.48 3ho3A1 ASN 306 HA 0.01 0.17 0.72 -0.75 4.76 4.91 3ho3A1 ASN 306 HB2 -0.02 -0.01 0.14 -0.04 2.88 2.95 3ho3A1 ASN 306 HB3 -0.01 0.00 0.04 -0.04 2.79 2.78 3ho3A1 ASN 306 HD21 -0.02 -0.01 0.05 -0.04 7.03 7.01 3ho3A1 ASN 306 HD22 -0.02 -0.02 0.04 -0.04 7.74 7.70 3ho3A1 GLN 307 H -0.01 0.08 -0.28 -0.55 8.47 7.72 3ho3A1 GLN 307 HA 0.01 0.20 0.68 -0.75 4.36 4.50 3ho3A1 GLN 307 HB2 0.02 0.02 0.19 -0.04 2.15 2.33 3ho3A1 GLN 307 HB3 0.02 -0.01 0.06 -0.04 2.02 2.05 3ho3A1 GLN 307 HG2 0.01 0.03 -0.09 -0.04 2.40 2.31 3ho3A1 GLN 307 HG3 -0.00 -0.10 -0.12 -0.04 2.39 2.13 3ho3A1 GLN 307 HE21 -0.01 -0.00 -0.01 -0.04 6.97 6.91 3ho3A1 GLN 307 HE22 -0.01 -0.05 -0.02 -0.04 7.69 7.57 3ho3A1 GLU 308 H 0.01 0.47 0.17 -0.55 8.60 8.71 3ho3A1 GLU 308 HA 0.06 0.09 0.41 -0.75 4.29 4.10 3ho3A1 GLU 308 HB2 -0.37 -0.15 0.06 -0.04 2.09 1.58 3ho3A1 GLU 308 HB3 -0.48 0.13 0.05 -0.04 1.99 1.65 3ho3A1 GLU 308 HG2 -0.56 -0.00 -0.16 -0.04 2.34 1.58 3ho3A1 GLU 308 HG3 -0.16 -0.02 -0.40 -0.04 2.34 1.73 3ho3A1 ARG 309 H 0.47 0.15 0.05 -0.55 8.46 8.58 3ho3A1 ARG 309 HA 0.19 0.29 0.88 -0.75 4.34 4.95 3ho3A1 ARG 309 HB2 0.18 -0.03 0.05 -0.04 1.90 2.05 3ho3A1 ARG 309 HB3 0.13 0.00 0.18 -0.04 1.80 2.07 3ho3A1 ARG 309 HG2 0.08 -0.02 -0.01 -0.04 1.67 1.67 3ho3A1 ARG 309 HG3 0.10 0.07 0.03 -0.04 1.67 1.83 3ho3A1 ARG 309 HD2 0.12 -0.23 -0.62 -0.04 3.22 2.46 3ho3A1 ARG 309 HD3 0.08 -0.01 -0.13 -0.04 3.22 3.12 3ho3A1 TRP 310 H 0.65 0.06 -0.17 -0.55 7.97 7.96 3ho3A1 TRP 310 HA -0.02 0.03 0.43 -0.75 4.62 4.31 3ho3A1 TRP 310 HB2 -0.07 0.03 0.03 -0.04 3.23 3.17 3ho3A1 TRP 310 HB3 -0.12 0.00 -0.06 -0.04 3.23 3.01 3ho3A1 TRP 310 HD1 -0.11 0.04 -0.04 -0.04 7.22 7.07 3ho3A1 TRP 310 HE1 -0.04 0.05 -0.04 -0.04 10.20 10.13 3ho3A1 TRP 310 HE3 0.01 -0.28 -0.05 -0.04 7.59 7.22 3ho3A1 TRP 310 HZ2 -0.00 0.03 -0.04 -0.04 7.44 7.39 3ho3A1 TRP 310 HZ3 0.01 -0.01 -0.00 -0.04 7.13 7.09 3ho3A1 TRP 310 HH2 0.01 0.04 -0.03 -0.04 7.19 7.17 3ho3A1 ALA 311 H -0.04 0.14 0.12 -0.55 8.40 8.07 3ho3A1 ALA 311 HA 0.07 0.16 0.68 -0.75 4.34 4.50 3ho3A1 ALA 311 HB3 -0.02 0.01 0.16 -0.04 1.41 1.52 3ho3A1 ILE 312 H 0.09 0.25 -0.57 -0.55 8.25 7.47 3ho3A1 ILE 312 HA 0.01 0.16 0.49 -0.75 4.18 4.08 3ho3A1 ILE 312 HB -0.13 0.07 -0.13 -0.04 1.89 1.66 3ho3A1 ILE 312 HG12 0.08 0.06 -0.08 -0.04 1.49 1.51 3ho3A1 ILE 312 HG13 0.17 -0.16 -0.16 -0.04 1.21 1.02 3ho3A1 ILE 312 HG23 -0.03 0.04 -0.07 -0.04 0.93 0.82 3ho3A1 ILE 312 HD13 0.08 -0.00 -0.04 -0.04 0.88 0.87 3ho3A1 GLY 313 H 0.11 0.07 -0.08 -0.55 8.43 7.97 3ho3A1 GLY 313 HA2 0.07 -0.03 0.23 -0.51 4.01 3.76 3ho3A1 GLY 313 HA3 0.05 0.22 0.80 -0.51 4.01 4.57 3ho3A1 PRO 314 HA 0.02 0.03 0.46 -0.51 4.44 4.43 3ho3A1 PRO 314 HB2 0.00 0.02 0.09 -0.04 2.28 2.35 3ho3A1 PRO 314 HB3 -0.01 0.00 0.08 -0.04 2.02 2.05 3ho3A1 PRO 314 HG2 0.01 0.02 0.10 -0.04 2.03 2.11 3ho3A1 PRO 314 HG3 0.01 0.00 0.09 -0.04 2.03 2.09 3ho3A1 PRO 314 HD2 0.03 0.18 0.19 -0.04 3.68 4.04 3ho3A1 PRO 314 HD3 0.03 0.06 0.22 -0.04 3.65 3.92 3ho3A1 HIS 315 H -0.13 0.33 0.30 -0.55 8.41 8.37 3ho3A1 HIS 315 HA -0.10 0.03 0.46 -0.75 4.63 4.27 3ho3A1 HIS 315 HB2 -0.10 0.07 0.12 -0.04 3.26 3.31 3ho3A1 HIS 315 HB3 -0.04 0.12 -0.21 -0.04 3.20 3.02 3ho3A1 HIS 315 HD2 -0.10 0.05 -0.25 -0.04 6.97 6.63 3ho3A1 HIS 315 HE1 0.05 0.02 -0.05 -0.04 7.75 7.72 3ho3A1 ASP 316 H -0.09 0.55 0.43 -0.55 8.40 8.75 3ho3A1 ASP 316 HA -0.13 0.10 0.74 -0.75 4.63 4.59 3ho3A1 ASP 316 HB2 -0.11 0.19 -0.07 -0.04 2.71 2.67 3ho3A1 ASP 316 HB3 -0.11 -0.04 -0.28 -0.04 2.70 2.23 3ho3A1 HIS 317 H -0.18 0.35 0.23 -0.55 8.41 8.26 3ho3A1 HIS 317 HA -0.00 0.14 0.42 -0.75 4.63 4.44 3ho3A1 HIS 317 HB2 -0.03 0.13 0.08 -0.04 3.26 3.41 3ho3A1 HIS 317 HB3 -0.03 0.09 -0.20 -0.04 3.20 3.01 3ho3A1 HIS 317 HD2 -0.01 -0.04 -0.25 -0.04 6.97 6.62 3ho3A1 HIS 317 HE1 -0.01 -0.00 -0.22 -0.04 7.75 7.47 3ho3A1 ILE 318 H 0.12 0.48 0.25 -0.55 8.25 8.55 3ho3A1 ILE 318 HA -0.08 0.24 0.92 -0.75 4.18 4.51 3ho3A1 ILE 318 HB -0.24 -0.06 -0.20 -0.04 1.89 1.36 3ho3A1 ILE 318 HG12 -0.26 0.02 -0.07 -0.04 1.49 1.14 3ho3A1 ILE 318 HG13 -0.17 -0.02 0.07 -0.04 1.21 1.05 3ho3A1 ILE 318 HG23 -0.36 -0.02 -0.23 -0.04 0.93 0.28 3ho3A1 ILE 318 HD13 -0.58 -0.00 -0.13 -0.04 0.88 0.13 3ho3A1 LEU 319 H -0.01 0.93 0.29 -0.55 8.37 9.03 3ho3A1 LEU 319 HA -0.02 0.21 0.88 -0.75 4.35 4.66 3ho3A1 LEU 319 HB2 0.13 0.00 0.02 -0.04 1.64 1.75 3ho3A1 LEU 319 HB3 0.03 -0.08 0.16 -0.04 1.64 1.71 3ho3A1 LEU 319 HG 0.00 0.09 -0.09 -0.04 1.64 1.60 3ho3A1 LEU 319 HD13 0.07 -0.01 -0.16 -0.04 0.93 0.79 3ho3A1 LEU 319 HD23 0.00 -0.01 -0.34 -0.04 0.89 0.50 3ho3A1 ARG 320 H -0.31 0.63 0.41 -0.55 8.46 8.64 3ho3A1 ARG 320 HA -0.11 0.26 0.93 -0.75 4.34 4.66 3ho3A1 ARG 320 HB2 -0.39 -0.02 0.03 -0.04 1.90 1.48 3ho3A1 ARG 320 HB3 -0.78 -0.05 0.03 -0.04 1.80 0.96 3ho3A1 ARG 320 HG2 -0.07 0.01 -0.03 -0.04 1.67 1.55 3ho3A1 ARG 320 HG3 -0.10 0.01 0.06 -0.04 1.67 1.60 3ho3A1 ARG 320 HD2 -0.07 -0.01 -0.08 -0.04 3.22 3.01 3ho3A1 ARG 320 HD3 0.03 -0.03 -0.08 -0.04 3.22 3.10 3ho3A1 VAL 321 H 0.01 0.65 0.39 -0.55 8.24 8.74 3ho3A1 VAL 321 HA -0.00 0.32 0.99 -0.75 4.13 4.68 3ho3A1 VAL 321 HB 0.05 -0.10 0.14 -0.04 2.12 2.17 3ho3A1 VAL 321 HG13 -0.04 -0.00 -0.19 -0.04 0.97 0.70 3ho3A1 VAL 321 HG23 -0.02 0.01 -0.18 -0.04 0.95 0.72 3ho3A1 VAL 322 H 0.07 0.64 0.33 -0.55 8.24 8.73 3ho3A1 VAL 322 HA 0.08 0.20 1.05 -0.75 4.13 4.71 3ho3A1 VAL 322 HB 0.24 -0.05 -0.05 -0.04 2.12 2.23 3ho3A1 VAL 322 HG13 -0.20 0.06 -0.24 -0.04 0.97 0.56 3ho3A1 VAL 322 HG23 0.19 -0.00 -0.30 -0.04 0.95 0.79 3ho3A1 GLU 323 H -0.07 0.60 0.35 -0.55 8.60 8.94 3ho3A1 GLU 323 HA -0.38 0.22 1.15 -0.75 4.29 4.52 3ho3A1 GLU 323 HB2 -0.89 0.15 0.26 -0.04 2.09 1.57 3ho3A1 GLU 323 HB3 -0.58 -0.06 0.15 -0.04 1.99 1.45 3ho3A1 GLU 323 HG2 0.34 0.02 0.09 -0.04 2.34 2.75 3ho3A1 GLU 323 HG3 -0.09 -0.01 -0.24 -0.04 2.34 1.95 3ho3A1 TYR 324 H -0.19 0.51 0.28 -0.55 8.29 8.34 3ho3A1 TYR 324 HA -0.06 0.20 0.51 -0.75 4.56 4.45 3ho3A1 TYR 324 HB2 -0.10 -0.08 -0.17 -0.04 3.06 2.66 3ho3A1 TYR 324 HB3 -0.07 0.02 -0.11 -0.04 2.98 2.78 3ho3A1 TYR 324 HD2 -0.06 0.04 -0.29 -0.04 7.15 6.80 3ho3A1 TYR 324 HE2 -0.02 0.00 -0.10 -0.04 6.85 6.69 3ho3A1 THR 325 H 0.14 0.21 0.14 -0.55 8.28 8.23 3ho3A1 THR 325 HA 0.07 0.50 1.06 -0.75 4.39 5.27 3ho3A1 THR 325 HB 0.04 -0.12 0.06 -0.04 4.32 4.26 3ho3A1 THR 325 HG23 0.01 0.10 0.03 -0.04 1.22 1.32 3ho3A1 VAL 326 H 0.09 0.41 0.24 -0.55 8.24 8.43 3ho3A1 VAL 326 HA 0.03 -0.06 0.70 -0.75 4.13 4.03 3ho3A1 VAL 326 HB 0.07 0.22 -0.01 -0.04 2.12 2.36 3ho3A1 VAL 326 HG13 0.34 0.00 -0.12 -0.04 0.97 1.16 3ho3A1 VAL 326 HG23 -0.03 0.01 0.08 -0.04 0.95 0.98 3ho3A1 SER 327 H 0.01 0.38 0.41 -0.55 8.46 8.71 3ho3A1 SER 327 HA 0.00 0.02 0.57 -0.75 4.49 4.32 3ho3A1 SER 327 HB2 -0.00 -0.03 0.04 -0.04 3.95 3.92 3ho3A1 SER 327 HB3 0.01 0.17 0.12 -0.04 3.93 4.19 3ho3A1 ARG 328 H -0.00 0.15 0.20 -0.55 8.46 8.25 3ho3A1 ARG 328 HA -0.02 0.09 0.45 -0.75 4.34 4.11 3ho3A1 ARG 328 HB2 -0.02 0.05 0.05 -0.04 1.90 1.95 3ho3A1 ARG 328 HB3 -0.02 0.05 0.13 -0.04 1.80 1.92 3ho3A1 ARG 328 HG2 -0.01 -0.05 0.20 -0.04 1.67 1.77 3ho3A1 ARG 328 HG3 -0.01 -0.01 0.05 -0.04 1.67 1.67 3ho3A1 ARG 328 HD2 -0.02 0.02 0.05 -0.04 3.22 3.22 3ho3A1 ARG 328 HD3 -0.02 -0.00 0.07 -0.04 3.22 3.23 3ho3A1 LYS 329 H -0.00 0.01 -0.34 -0.55 8.42 7.54 3ho3A1 LYS 329 HA -0.00 0.19 0.68 -0.75 4.32 4.43 3ho3A1 LYS 329 HB2 -0.00 -0.02 0.00 -0.04 1.87 1.81 3ho3A1 LYS 329 HB3 -0.00 0.02 0.14 -0.04 1.79 1.91 3ho3A1 LYS 329 HG2 -0.01 0.08 -0.11 -0.04 1.46 1.38 3ho3A1 LYS 329 HG3 -0.01 -0.09 -0.04 -0.04 1.46 1.28 3ho3A1 LYS 329 HD2 -0.00 -0.01 -0.00 -0.04 1.69 1.63 3ho3A1 LYS 329 HD3 -0.01 0.02 0.00 -0.04 1.68 1.65 3ho3A1 LYS 329 HE2 -0.01 0.03 -0.02 -0.04 2.99 2.95 3ho3A1 LYS 329 HE3 -0.01 -0.02 -0.01 -0.04 2.99 2.91 3ho3A1 ASN 330 H 0.00 0.47 -0.52 -0.55 8.53 7.94 3ho3A1 ASN 330 HA 0.02 0.10 0.43 -0.75 4.76 4.55 3ho3A1 ASN 330 HB2 0.01 0.15 -0.21 -0.04 2.88 2.79 3ho3A1 ASN 330 HB3 0.02 -0.01 -0.00 -0.04 2.79 2.75 3ho3A1 ASN 330 HD21 -0.00 0.00 -0.11 -0.04 7.03 6.88 3ho3A1 ASN 330 HD22 0.00 0.02 -0.07 -0.04 7.74 7.65 3ho3A1 PRO 331 HA 0.01 0.19 0.43 -0.51 4.44 4.56 3ho3A1 PRO 331 HB2 -0.40 -0.03 -0.18 -0.04 2.28 1.63 3ho3A1 PRO 331 HB3 -0.09 0.14 -0.18 -0.04 2.02 1.85 3ho3A1 PRO 331 HG2 -0.06 0.09 -0.11 -0.04 2.03 1.90 3ho3A1 PRO 331 HG3 -0.04 0.04 -0.21 -0.04 2.03 1.78 3ho3A1 PRO 331 HD2 0.05 0.05 0.09 -0.04 3.68 3.83 3ho3A1 PRO 331 HD3 0.01 0.16 0.04 -0.04 3.65 3.82 3ho3A1 HIS 332 H 0.06 0.07 -0.31 -0.55 8.41 7.69 3ho3A1 HIS 332 HA 0.20 0.16 0.65 -0.75 4.63 4.89 3ho3A1 HIS 332 HB2 -0.19 0.01 -0.02 -0.04 3.26 3.03 3ho3A1 HIS 332 HB3 -0.20 0.00 0.08 -0.04 3.20 3.04 3ho3A1 HIS 332 HD2 0.04 -0.03 -0.06 -0.04 6.97 6.88 3ho3A1 HIS 332 HE1 -0.01 0.05 -0.05 -0.04 7.75 7.70 3ho3A1 GLN 333 H 0.13 0.34 -0.30 -0.55 8.47 8.10 3ho3A1 GLN 333 HA -0.00 0.23 0.65 -0.75 4.36 4.48 3ho3A1 GLN 333 HB2 0.05 -0.06 -0.33 -0.04 2.15 1.76 3ho3A1 GLN 333 HB3 0.00 -0.09 -0.10 -0.04 2.02 1.80 3ho3A1 GLN 333 HG2 -0.05 0.01 0.04 -0.04 2.40 2.35 3ho3A1 GLN 333 HG3 -0.01 0.25 0.22 -0.04 2.39 2.80 3ho3A1 GLN 333 HE21 0.01 -0.14 -0.02 -0.04 6.97 6.78 3ho3A1 GLN 333 HE22 -0.00 0.00 -0.05 -0.04 7.69 7.60 3ho3A1 VAL 334 H -0.29 0.52 0.25 -0.55 8.24 8.17 3ho3A1 VAL 334 HA -0.08 -0.03 1.01 -0.75 4.13 4.28 3ho3A1 VAL 334 HB -0.11 0.14 -0.16 -0.04 2.12 1.95 3ho3A1 VAL 334 HG13 -0.61 0.01 -0.23 -0.04 0.97 0.10 3ho3A1 VAL 334 HG23 -0.37 0.03 -0.10 -0.04 0.95 0.47 3ho3A1 ASP 335 H 0.00 0.35 0.25 -0.55 8.40 8.46 3ho3A1 ASP 335 HA -0.01 0.15 0.93 -0.75 4.63 4.95 3ho3A1 ASP 335 HB2 0.01 -0.00 0.13 -0.04 2.71 2.81 3ho3A1 ASP 335 HB3 0.01 -0.02 0.11 -0.04 2.70 2.76 3ho3A1 LEU 336 H 0.02 0.19 0.19 -0.55 8.37 8.23 3ho3A1 LEU 336 HA 0.25 0.11 0.26 -0.75 4.35 4.21 3ho3A1 LEU 336 HB2 0.04 0.01 0.07 -0.04 1.64 1.72 3ho3A1 LEU 336 HB3 0.09 0.03 0.10 -0.04 1.64 1.82 3ho3A1 LEU 336 HG -0.02 0.02 0.11 -0.04 1.64 1.70 3ho3A1 LEU 336 HD13 -0.01 0.01 0.05 -0.04 0.93 0.93 3ho3A1 LEU 336 HD23 -0.13 -0.01 -0.10 -0.04 0.89 0.61 3ho3A1 ARG 337 H 0.05 -0.00 -0.33 -0.55 8.46 7.63 3ho3A1 ARG 337 HA 0.03 0.12 0.45 -0.75 4.34 4.19 3ho3A1 ARG 337 HB2 0.02 -0.02 0.01 -0.04 1.90 1.88 3ho3A1 ARG 337 HB3 0.02 0.07 0.03 -0.04 1.80 1.88 3ho3A1 ARG 337 HG2 0.02 0.04 0.02 -0.04 1.67 1.71 3ho3A1 ARG 337 HG3 0.02 -0.12 0.04 -0.04 1.67 1.57 3ho3A1 ARG 337 HD2 0.01 0.05 0.01 -0.04 3.22 3.25 3ho3A1 ARG 337 HD3 0.01 0.00 0.01 -0.04 3.22 3.20 3ho3A1 THR 338 H 0.06 0.23 -0.27 -0.55 8.28 7.76 3ho3A1 THR 338 HA 0.00 0.13 0.33 -0.75 4.39 4.09 3ho3A1 THR 338 HB 0.01 0.00 0.06 -0.04 4.32 4.35 3ho3A1 THR 338 HG23 0.03 -0.01 -0.01 -0.04 1.22 1.18 3ho3A1 ALA 339 H -0.09 0.16 -0.58 -0.55 8.40 7.34 3ho3A1 ALA 339 HA -0.85 0.22 0.47 -0.75 4.34 3.43 3ho3A1 ALA 339 HB3 -0.28 -0.02 0.04 -0.04 1.41 1.10 3ho3A1 ARG 340 H -0.24 0.47 0.28 -0.55 8.46 8.42 3ho3A1 ARG 340 HA -0.05 0.12 0.78 -0.75 4.34 4.43 3ho3A1 ARG 340 HB2 0.14 -0.09 0.17 -0.04 1.90 2.07 3ho3A1 ARG 340 HB3 -0.05 0.05 0.01 -0.04 1.80 1.76 3ho3A1 ARG 340 HG2 -0.10 0.15 -0.21 -0.04 1.67 1.47 3ho3A1 ARG 340 HG3 -0.06 0.11 -0.11 -0.04 1.67 1.57 3ho3A1 ARG 340 HD2 -0.52 -0.01 -0.03 -0.04 3.22 2.61 3ho3A1 ARG 340 HD3 -0.33 -0.09 -0.06 -0.04 3.22 2.70 3ho3A1 VAL 341 H 0.03 0.15 0.06 -0.55 8.24 7.93 3ho3A1 VAL 341 HA 0.15 0.06 0.62 -0.75 4.13 4.21 3ho3A1 VAL 341 HB 0.09 0.01 0.06 -0.04 2.12 2.24 3ho3A1 VAL 341 HG13 0.11 0.01 -0.21 -0.04 0.97 0.84 3ho3A1 VAL 341 HG23 0.07 -0.00 -0.02 -0.04 0.95 0.95 3ho3A1 PHE 342 H 0.36 0.70 0.53 -0.55 8.34 9.38 3ho3A1 PHE 342 HA 0.16 0.14 0.85 -0.75 4.62 5.01 3ho3A1 PHE 342 HB2 0.10 0.04 0.05 -0.04 3.15 3.31 3ho3A1 PHE 342 HB3 0.15 -0.04 -0.08 -0.04 3.06 3.04 3ho3A1 PHE 342 HD2 0.11 0.01 -0.25 -0.04 7.28 7.11 3ho3A1 PHE 342 HE2 0.15 -0.04 0.01 -0.04 7.38 7.46 3ho3A1 PHE 342 HZ 0.29 -0.01 0.08 -0.04 7.32 7.63 3ho3A1 LEU 343 H 0.21 0.34 0.37 -0.55 8.37 8.75 3ho3A1 LEU 343 HA 0.22 0.18 0.78 -0.75 4.35 4.77 3ho3A1 LEU 343 HB2 0.12 -0.07 -0.04 -0.04 1.64 1.62 3ho3A1 LEU 343 HB3 0.15 0.04 -0.13 -0.04 1.64 1.65 3ho3A1 LEU 343 HG 0.26 0.13 -0.26 -0.04 1.64 1.73 3ho3A1 LEU 343 HD13 -0.07 -0.01 -0.13 -0.04 0.93 0.68 3ho3A1 LEU 343 HD23 0.45 0.00 0.03 -0.04 0.89 1.33 3ho3A1 GLU 344 H 0.15 0.29 0.15 -0.55 8.60 8.65 3ho3A1 GLU 344 HA -0.03 0.26 0.66 -0.75 4.29 4.43 3ho3A1 GLU 344 HB2 0.14 -0.01 0.05 -0.04 2.09 2.23 3ho3A1 GLU 344 HB3 -0.16 -0.03 -0.08 -0.04 1.99 1.68 3ho3A1 GLU 344 HG2 -0.18 0.00 -0.06 -0.04 2.34 2.06 3ho3A1 GLU 344 HG3 -0.00 0.13 -0.23 -0.04 2.34 2.20 3ho3A1 VAL 345 H -0.03 0.62 0.18 -0.55 8.24 8.46 3ho3A1 VAL 345 HA 0.02 0.12 1.08 -0.75 4.13 4.59 3ho3A1 VAL 345 HB 0.04 0.04 0.14 -0.04 2.12 2.30 3ho3A1 VAL 345 HG13 0.04 0.01 -0.06 -0.04 0.97 0.92 3ho3A1 VAL 345 HG23 0.17 0.00 -0.19 -0.04 0.95 0.89 3ho3A1 ALA 346 H -0.04 0.06 0.21 -0.55 8.40 8.08 3ho3A1 ALA 346 HA -0.14 0.12 0.58 -0.75 4.34 4.14 3ho3A1 ALA 346 HB3 -0.10 0.00 0.10 -0.04 1.41 1.37 3ho3A1 GLU 347 H -0.15 0.67 0.47 -0.55 8.60 9.04 3ho3A1 GLU 347 HA -0.12 0.13 0.94 -0.75 4.29 4.49 3ho3A1 GLU 347 HB2 -0.60 0.03 -0.11 -0.04 2.09 1.36 3ho3A1 GLU 347 HB3 -0.92 -0.06 -0.04 -0.04 1.99 0.92 3ho3A1 GLU 347 HG2 -0.11 0.05 -0.05 -0.04 2.34 2.18 3ho3A1 GLU 347 HG3 -0.09 -0.13 0.12 -0.04 2.34 2.19 3ho3A1 LEU 348 H -0.07 0.17 0.21 -0.55 8.37 8.14 3ho3A1 LEU 348 HA -0.17 0.04 0.99 -0.75 4.35 4.46 3ho3A1 LEU 348 HB2 -0.13 0.05 0.04 -0.04 1.64 1.56 3ho3A1 LEU 348 HB3 -0.36 -0.00 0.04 -0.04 1.64 1.28 3ho3A1 LEU 348 HG -0.03 -0.03 -0.08 -0.04 1.64 1.46 3ho3A1 LEU 348 HD13 0.00 0.02 -0.06 -0.04 0.93 0.85 3ho3A1 LEU 348 HD23 -0.03 0.02 -0.13 -0.04 0.89 0.71 3ho3A1 HIS 349 H 0.00 0.10 0.16 -0.55 8.41 8.13 3ho3A1 HIS 349 HA -0.01 0.23 0.86 -0.75 4.63 4.96 3ho3A1 HIS 349 HB2 -0.03 0.12 -0.02 -0.04 3.26 3.30 3ho3A1 HIS 349 HB3 -0.02 -0.15 0.11 -0.04 3.20 3.09 3ho3A1 HIS 349 HD2 -0.03 -0.03 -0.03 -0.04 6.97 6.83 3ho3A1 HIS 349 HE1 -0.04 -0.00 -0.08 -0.04 7.75 7.59 3ho3A1 ARG 350 H 0.15 0.13 0.07 -0.55 8.46 8.25 3ho3A1 ARG 350 HA 0.18 0.28 0.70 -0.75 4.34 4.74 3ho3A1 ARG 350 HB2 0.07 -0.00 0.04 -0.04 1.90 1.97 3ho3A1 ARG 350 HB3 0.08 -0.08 0.11 -0.04 1.80 1.86 3ho3A1 ARG 350 HG2 0.12 0.12 -0.30 -0.04 1.67 1.57 3ho3A1 ARG 350 HG3 0.08 -0.04 -0.12 -0.04 1.67 1.55 3ho3A1 ARG 350 HD2 0.04 -0.05 -0.03 -0.04 3.22 3.15 3ho3A1 ARG 350 HD3 0.04 -0.01 -0.05 -0.04 3.22 3.17 3ho3A1 LYS 351 H 0.12 0.14 -0.20 -0.55 8.42 7.93 3ho3A1 LYS 351 HA 0.13 0.24 0.73 -0.75 4.32 4.67 3ho3A1 LYS 351 HB2 0.04 -0.03 -0.08 -0.04 1.87 1.75 3ho3A1 LYS 351 HB3 0.30 -0.05 0.08 -0.04 1.79 2.08 3ho3A1 LYS 351 HG2 0.08 0.29 -0.01 -0.04 1.46 1.79 3ho3A1 LYS 351 HG3 0.07 -0.16 -0.50 -0.04 1.46 0.83 3ho3A1 LYS 351 HD2 -0.01 -0.05 -0.06 -0.04 1.69 1.53 3ho3A1 LYS 351 HD3 0.06 -0.00 -0.01 -0.04 1.68 1.69 3ho3A1 LYS 351 HE2 0.04 0.11 -0.02 -0.04 2.99 3.07 3ho3A1 LYS 351 HE3 0.04 -0.06 -0.09 -0.04 2.99 2.84 3ho3A1 HIS 352 H 0.25 0.22 0.11 -0.55 8.41 8.44 3ho3A1 HIS 352 HA 0.04 0.06 0.41 -0.75 4.63 4.39 3ho3A1 HIS 352 HB2 0.03 0.11 -0.22 -0.04 3.26 3.13 3ho3A1 HIS 352 HB3 0.04 -0.07 0.27 -0.04 3.20 3.41 3ho3A1 HIS 352 HD2 0.01 -0.01 -0.18 -0.04 6.97 6.75 3ho3A1 HIS 352 HE1 -0.01 0.08 -0.02 -0.04 7.75 7.76 3ho3A1 LEU 353 H 0.10 0.12 -0.13 -0.55 8.37 7.92 3ho3A1 LEU 353 HA 0.11 0.19 0.57 -0.75 4.35 4.47 3ho3A1 LEU 353 HB2 0.08 0.14 -0.07 -0.04 1.64 1.75 3ho3A1 LEU 353 HB3 0.11 0.03 -0.11 -0.04 1.64 1.63 3ho3A1 LEU 353 HG 0.14 0.08 -0.46 -0.04 1.64 1.37 3ho3A1 LEU 353 HD13 0.11 0.02 -0.42 -0.04 0.93 0.59 3ho3A1 LEU 353 HD23 0.28 0.02 -0.15 -0.04 0.89 1.00 3ho3A1 GLY 354 H 0.06 -0.00 0.03 -0.55 8.43 7.97 3ho3A1 GLY 354 HA2 0.04 0.11 0.31 -0.51 4.01 3.96 3ho3A1 GLY 354 HA3 0.05 0.02 0.64 -0.51 4.01 4.21 3ho3A1 GLY 355 H 0.03 0.83 0.36 -0.55 8.43 9.10 3ho3A1 GLY 355 HA2 0.02 -0.01 0.21 -0.51 4.01 3.72 3ho3A1 GLY 355 HA3 0.03 0.18 0.73 -0.51 4.01 4.43 3ho3A1 GLN 356 H 0.02 0.08 -0.07 -0.55 8.47 7.96 3ho3A1 GLN 356 HA 0.01 0.02 0.34 -0.75 4.36 3.97 3ho3A1 GLN 356 HB2 0.03 0.04 0.11 -0.04 2.15 2.29 3ho3A1 GLN 356 HB3 0.02 -0.07 0.11 -0.04 2.02 2.04 3ho3A1 GLN 356 HG2 0.00 0.08 -0.20 -0.04 2.40 2.25 3ho3A1 GLN 356 HG3 0.02 0.03 0.08 -0.04 2.39 2.49 3ho3A1 GLN 356 HE21 0.02 0.30 0.03 -0.04 6.97 7.29 3ho3A1 GLN 356 HE22 0.01 0.03 -0.05 -0.04 7.69 7.63 3ho3A1 LEU 357 H -0.02 0.11 0.21 -0.55 8.37 8.12 3ho3A1 LEU 357 HA -0.08 0.35 1.00 -0.75 4.35 4.87 3ho3A1 LEU 357 HB2 -0.06 -0.07 -0.19 -0.04 1.64 1.28 3ho3A1 LEU 357 HB3 -0.15 -0.00 -0.09 -0.04 1.64 1.35 3ho3A1 LEU 357 HG -0.03 0.14 -0.16 -0.04 1.64 1.55 3ho3A1 LEU 357 HD13 -0.01 -0.03 -0.46 -0.04 0.93 0.38 3ho3A1 LEU 357 HD23 -0.08 0.00 -0.18 -0.04 0.89 0.59 3ho3A1 LEU 358 H -0.16 0.49 0.29 -0.55 8.37 8.46 3ho3A1 LEU 358 HA -0.06 0.08 0.50 -0.75 4.35 4.12 3ho3A1 LEU 358 HB2 -0.04 0.03 0.04 -0.04 1.64 1.63 3ho3A1 LEU 358 HB3 -0.04 0.12 -0.16 -0.04 1.64 1.52 3ho3A1 LEU 358 HG -0.05 -0.08 -0.14 -0.04 1.64 1.33 3ho3A1 LEU 358 HD13 -0.21 0.00 -0.26 -0.04 0.93 0.43 3ho3A1 LEU 358 HD23 -0.04 0.01 -0.27 -0.04 0.89 0.54 3ho3A1 PHE 359 H 0.12 0.21 0.15 -0.55 8.34 8.26 3ho3A1 PHE 359 HA 0.06 0.35 1.05 -0.75 4.62 5.32 3ho3A1 PHE 359 HB2 -0.05 -0.01 0.13 -0.04 3.15 3.18 3ho3A1 PHE 359 HB3 -0.08 0.07 -0.03 -0.04 3.06 2.98 3ho3A1 PHE 359 HD2 -0.07 0.09 -0.32 -0.04 7.28 6.94 3ho3A1 PHE 359 HE2 -0.10 -0.02 -0.26 -0.04 7.38 6.96 3ho3A1 PHE 359 HZ -0.73 -0.01 -0.12 -0.04 7.32 6.43 3ho3A1 GLY 360 H 0.29 0.45 0.16 -0.55 8.43 8.78 3ho3A1 GLY 360 HA2 -0.07 0.18 0.56 -0.51 4.01 4.17 3ho3A1 GLY 360 HA3 0.06 -0.05 0.34 -0.51 4.01 3.85 3ho3A1 PRO 361 HA -0.05 0.13 0.60 -0.51 4.44 4.60 3ho3A1 PRO 361 HB2 -0.07 0.01 0.02 -0.04 2.28 2.20 3ho3A1 PRO 361 HB3 -0.09 0.06 0.20 -0.04 2.02 2.14 3ho3A1 PRO 361 HG2 -0.11 0.35 0.26 -0.04 2.03 2.50 3ho3A1 PRO 361 HG3 -0.10 0.03 0.20 -0.04 2.03 2.11 3ho3A1 PRO 361 HD2 -0.07 0.05 0.22 -0.04 3.68 3.84 3ho3A1 PRO 361 HD3 -0.07 0.14 0.24 -0.04 3.65 3.90 3ho3A1 ASP 362 H -0.04 -0.01 -0.45 -0.55 8.40 7.35 3ho3A1 ASP 362 HA -0.16 0.21 0.69 -0.75 4.63 4.61 3ho3A1 ASP 362 HB2 -0.34 0.01 0.08 -0.04 2.71 2.41 3ho3A1 ASP 362 HB3 -0.04 0.03 0.01 -0.04 2.70 2.65 3ho3A1 GLY 363 H -0.09 0.54 -0.32 -0.55 8.43 8.02 3ho3A1 GLY 363 HA2 -0.11 0.07 0.29 -0.51 4.01 3.75 3ho3A1 GLY 363 HA3 -0.24 0.11 0.55 -0.51 4.01 3.91 3ho3A1 PHE 364 H -0.20 -0.04 -0.28 -0.55 8.34 7.27 3ho3A1 PHE 364 HA 0.04 0.11 0.71 -0.75 4.62 4.72 3ho3A1 PHE 364 HB2 -0.25 -0.08 -0.06 -0.04 3.15 2.72 3ho3A1 PHE 364 HB3 -0.29 0.14 -0.05 -0.04 3.06 2.81 3ho3A1 PHE 364 HD2 -0.05 -0.02 -0.08 -0.04 7.28 7.09 3ho3A1 PHE 364 HE2 -0.00 -0.02 -0.04 -0.04 7.38 7.28 3ho3A1 PHE 364 HZ -0.01 -0.04 -0.01 -0.04 7.32 7.22 3ho3A1 LEU 365 H -0.04 0.71 0.42 -0.55 8.37 8.91 3ho3A1 LEU 365 HA -0.66 0.27 0.97 -0.75 4.35 4.17 3ho3A1 LEU 365 HB2 -0.83 -0.02 0.04 -0.04 1.64 0.79 3ho3A1 LEU 365 HB3 -0.33 -0.03 0.13 -0.04 1.64 1.37 3ho3A1 LEU 365 HG -0.39 -0.00 -0.45 -0.04 1.64 0.76 3ho3A1 LEU 365 HD13 -0.84 0.05 -0.11 -0.04 0.93 -0.02 3ho3A1 LEU 365 HD23 -0.45 -0.01 -0.16 -0.04 0.89 0.23 3ho3A1 TYR 366 H -0.07 0.79 0.38 -0.55 8.29 8.84 3ho3A1 TYR 366 HA -0.18 0.43 1.01 -0.75 4.56 5.06 3ho3A1 TYR 366 HB2 -0.14 -0.06 0.07 -0.04 3.06 2.89 3ho3A1 TYR 366 HB3 -0.11 0.01 -0.09 -0.04 2.98 2.75 3ho3A1 TYR 366 HD2 -0.15 0.10 -0.12 -0.04 7.15 6.95 3ho3A1 TYR 366 HE2 -0.27 -0.07 -0.09 -0.04 6.85 6.37 3ho3A1 ILE 367 H -0.11 0.37 0.16 -0.55 8.25 8.13 3ho3A1 ILE 367 HA -0.05 0.32 1.01 -0.75 4.18 4.70 3ho3A1 ILE 367 HB -0.10 -0.06 0.04 -0.04 1.89 1.73 3ho3A1 ILE 367 HG12 -0.12 0.01 -0.18 -0.04 1.49 1.16 3ho3A1 ILE 367 HG13 -0.17 -0.02 -0.49 -0.04 1.21 0.49 3ho3A1 ILE 367 HG23 -0.04 0.02 -0.24 -0.04 0.93 0.63 3ho3A1 ILE 367 HD13 -0.23 0.00 -0.19 -0.04 0.88 0.43 3ho3A1 ILE 368 H 0.00 0.75 0.10 -0.55 8.25 8.56 3ho3A1 ILE 368 HA 0.04 0.19 0.94 -0.75 4.18 4.59 3ho3A1 ILE 368 HB 0.03 -0.05 0.13 -0.04 1.89 1.95 3ho3A1 ILE 368 HG12 0.05 0.01 -0.17 -0.04 1.49 1.34 3ho3A1 ILE 368 HG13 0.03 0.01 -0.31 -0.04 1.21 0.90 3ho3A1 ILE 368 HG23 0.04 -0.01 -0.23 -0.04 0.93 0.69 3ho3A1 ILE 368 HD13 0.02 -0.01 -0.16 -0.04 0.88 0.69 3ho3A1 LEU 369 H 0.05 0.73 0.27 -0.55 8.37 8.87 3ho3A1 LEU 369 HA 0.05 0.07 0.92 -0.75 4.35 4.64 3ho3A1 LEU 369 HB2 0.07 0.13 0.20 -0.04 1.64 2.00 3ho3A1 LEU 369 HB3 0.08 0.03 0.02 -0.04 1.64 1.72 3ho3A1 LEU 369 HG 0.02 -0.05 -0.29 -0.04 1.64 1.28 3ho3A1 LEU 369 HD13 0.09 0.03 -0.16 -0.04 0.93 0.84 3ho3A1 LEU 369 HD23 0.04 -0.01 -0.15 -0.04 0.89 0.74 3ho3A1 GLY 370 H 0.07 0.37 -0.46 -0.55 8.43 7.86 3ho3A1 GLY 370 HA2 0.08 0.06 0.29 -0.51 4.01 3.93 3ho3A1 GLY 370 HA3 0.09 -0.11 -0.06 -0.51 4.01 3.42 3ho3A1 ASP 371 H 0.17 0.63 0.33 -0.55 8.40 8.99 3ho3A1 ASP 371 HA 0.12 0.15 0.43 -0.75 4.63 4.58 3ho3A1 ASP 371 HB2 0.25 -0.04 0.26 -0.04 2.71 3.14 3ho3A1 ASP 371 HB3 0.22 -0.29 0.13 -0.04 2.70 2.73 3ho3A1 GLY 372 H 0.19 0.37 0.19 -0.55 8.43 8.64 3ho3A1 GLY 372 HA2 0.10 0.22 0.24 -0.51 4.01 4.06 3ho3A1 GLY 372 HA3 0.07 0.11 0.62 -0.51 4.01 4.30 3ho3A1 MET 373 H -0.04 0.00 -0.31 -0.55 8.47 7.58 3ho3A1 MET 373 HA -0.22 0.00 0.12 -0.75 4.52 3.67 3ho3A1 MET 373 HB2 -0.46 0.15 0.01 -0.04 2.15 1.82 3ho3A1 MET 373 HB3 -0.45 -0.00 0.14 -0.04 2.03 1.67 3ho3A1 MET 373 HG2 -0.75 0.00 -0.07 -0.04 2.63 1.77 3ho3A1 MET 373 HG3 -0.75 -0.08 -0.31 -0.04 2.56 1.38 3ho3A1 MET 373 HE3 -0.26 0.01 -0.03 -0.04 2.10 1.78 3ho3A1 ILE 374 H 0.00 0.24 -0.52 -0.55 8.25 7.42 3ho3A1 ILE 374 HA 0.05 0.03 0.41 -0.75 4.18 3.91 3ho3A1 ILE 374 HB 0.01 0.02 0.08 -0.04 1.89 1.96 3ho3A1 ILE 374 HG12 0.04 0.07 0.06 -0.04 1.49 1.62 3ho3A1 ILE 374 HG13 0.03 -0.01 0.05 -0.04 1.21 1.24 3ho3A1 ILE 374 HG23 0.01 0.06 -0.15 -0.04 0.93 0.82 3ho3A1 ILE 374 HD13 0.07 -0.01 -0.03 -0.04 0.88 0.87 3ho3A1 THR 375 H 0.00 0.11 0.17 -0.55 8.28 8.02 3ho3A1 THR 375 HA -0.04 0.06 0.47 -0.75 4.39 4.13 3ho3A1 THR 375 HB -0.04 0.01 0.10 -0.04 4.32 4.36 3ho3A1 THR 375 HG23 0.00 0.12 0.03 -0.04 1.22 1.34 3ho3A1 LEU 376 H -0.02 0.06 0.17 -0.55 8.37 8.03 3ho3A1 LEU 376 HA -0.02 0.18 0.67 -0.75 4.35 4.43 3ho3A1 LEU 376 HB2 -0.01 -0.06 0.09 -0.04 1.64 1.61 3ho3A1 LEU 376 HB3 -0.01 0.01 0.07 -0.04 1.64 1.67 3ho3A1 LEU 376 HG -0.02 -0.02 0.07 -0.04 1.64 1.62 3ho3A1 LEU 376 HD13 -0.01 0.00 0.02 -0.04 0.93 0.89 3ho3A1 LEU 376 HD23 -0.02 0.04 -0.02 -0.04 0.89 0.85 3ho3A1 ASP 377 H -0.01 0.05 0.03 -0.55 8.40 7.92 3ho3A1 ASP 377 HA -0.01 0.05 0.69 -0.75 4.63 4.61 3ho3A1 ASP 377 HB2 -0.01 -0.00 0.06 -0.04 2.71 2.72 3ho3A1 ASP 377 HB3 -0.00 0.06 0.02 -0.04 2.70 2.74 3ho3A1 ASP 378 H -0.00 0.10 0.06 -0.55 8.40 8.02 3ho3A1 ASP 378 HA -0.00 0.08 0.18 -0.75 4.63 4.14 3ho3A1 ASP 378 HB2 0.02 0.22 0.09 -0.04 2.71 3.00 3ho3A1 ASP 378 HB3 0.01 0.06 0.05 -0.04 2.70 2.78 3ho3A1 MET 379 H -0.01 0.05 -1.30 -0.55 8.47 6.67 3ho3A1 MET 379 HA -0.01 0.15 0.68 -0.75 4.52 4.58 3ho3A1 MET 379 HB2 -0.01 0.36 0.07 -0.04 2.15 2.52 3ho3A1 MET 379 HB3 -0.01 0.09 0.16 -0.04 2.03 2.22 3ho3A1 MET 379 HG2 -0.02 -0.05 0.00 -0.04 2.63 2.53 3ho3A1 MET 379 HG3 -0.02 -0.02 -0.08 -0.04 2.56 2.39 3ho3A1 MET 379 HE3 -0.03 -0.01 0.08 -0.04 2.10 2.10 3ho3A1 GLU 380 H -0.01 0.21 0.12 -0.55 8.60 8.37 3ho3A1 GLU 380 HA -0.02 0.24 0.78 -0.75 4.29 4.54 3ho3A1 GLU 380 HB2 -0.01 0.05 0.12 -0.04 2.09 2.20 3ho3A1 GLU 380 HB3 -0.01 -0.07 0.08 -0.04 1.99 1.95 3ho3A1 GLU 380 HG2 -0.01 0.01 0.07 -0.04 2.34 2.37 3ho3A1 GLU 380 HG3 -0.01 0.04 0.07 -0.04 2.34 2.40 3ho3A1 GLU 381 H -0.01 -0.12 -0.08 -0.55 8.60 7.84 3ho3A1 GLU 381 HA -0.01 0.12 0.35 -0.75 4.29 4.00 3ho3A1 GLU 381 HB2 -0.00 -0.15 0.13 -0.04 2.09 2.02 3ho3A1 GLU 381 HB3 -0.00 0.10 0.20 -0.04 1.99 2.24 3ho3A1 GLU 381 HG2 -0.01 0.10 0.05 -0.04 2.34 2.44 3ho3A1 GLU 381 HG3 -0.01 -0.06 0.10 -0.04 2.34 2.33 3ho3A1 MET 382 H -0.01 0.52 -1.14 -0.55 8.47 7.29 3ho3A1 MET 382 HA -0.01 0.09 0.65 -0.75 4.52 4.51 3ho3A1 MET 382 HB2 -0.02 0.03 -0.41 -0.04 2.15 1.71 3ho3A1 MET 382 HB3 -0.01 0.17 -0.41 -0.04 2.03 1.73 3ho3A1 MET 382 HG2 -0.01 0.04 -0.58 -0.04 2.63 2.04 3ho3A1 MET 382 HG3 -0.01 0.26 -0.24 -0.04 2.56 2.53 3ho3A1 MET 382 HE3 0.00 -0.03 -0.02 -0.04 2.10 2.01 3ho3A1 ASP 383 H -0.01 0.14 0.07 -0.55 8.40 8.05 3ho3A1 ASP 383 HA -0.02 -0.01 0.69 -0.75 4.63 4.53 3ho3A1 ASP 383 HB2 -0.02 0.04 0.23 -0.04 2.71 2.92 3ho3A1 ASP 383 HB3 -0.03 0.04 0.09 -0.04 2.70 2.75 3ho3A1 GLY 384 H -0.03 0.05 0.10 -0.55 8.43 8.01 3ho3A1 GLY 384 HA2 -0.03 0.13 0.08 -0.51 4.01 3.68 3ho3A1 GLY 384 HA3 -0.04 -0.02 0.31 -0.51 4.01 3.75 3ho3A1 LEU 385 H -0.05 0.33 0.19 -0.55 8.37 8.29 3ho3A1 LEU 385 HA -0.04 0.11 0.65 -0.75 4.35 4.31 3ho3A1 LEU 385 HB2 -0.04 -0.14 0.11 -0.04 1.64 1.52 3ho3A1 LEU 385 HB3 -0.03 0.20 -0.27 -0.04 1.64 1.50 3ho3A1 LEU 385 HG -0.03 -0.08 -0.24 -0.04 1.64 1.25 3ho3A1 LEU 385 HD13 -0.03 0.02 -0.15 -0.04 0.93 0.73 3ho3A1 LEU 385 HD23 -0.02 0.03 -0.11 -0.04 0.89 0.75 3ho3A1 SER 386 H -0.06 0.05 0.20 -0.55 8.46 8.10 3ho3A1 SER 386 HA -0.07 0.03 0.49 -0.75 4.49 4.18 3ho3A1 SER 386 HB2 0.02 -0.11 0.17 -0.04 3.95 3.98 3ho3A1 SER 386 HB3 -0.01 0.22 0.12 -0.04 3.93 4.22 3ho3A1 ASP 387 H -0.04 0.17 0.24 -0.55 8.40 8.23 3ho3A1 ASP 387 HA -0.00 0.04 0.38 -0.75 4.63 4.29 3ho3A1 ASP 387 HB2 -0.04 -0.03 0.20 -0.04 2.71 2.80 3ho3A1 ASP 387 HB3 -0.09 0.10 0.05 -0.04 2.70 2.72 3ho3A1 PHE 388 H 0.02 -0.07 -0.98 -0.55 8.34 6.77 3ho3A1 PHE 388 HA 0.04 0.20 0.71 -0.75 4.62 4.81 3ho3A1 PHE 388 HB2 0.03 -0.05 -0.05 -0.04 3.15 3.03 3ho3A1 PHE 388 HB3 0.02 -0.02 -0.02 -0.04 3.06 3.00 3ho3A1 PHE 388 HD2 0.04 0.06 -0.08 -0.04 7.28 7.25 3ho3A1 PHE 388 HE2 0.07 -0.03 -0.04 -0.04 7.38 7.33 3ho3A1 PHE 388 HZ 0.08 -0.01 -0.03 -0.04 7.32 7.31 3ho3A1 THR 389 H 0.11 -0.09 -0.10 -0.55 8.28 7.65 3ho3A1 THR 389 HA 0.11 0.08 0.40 -0.75 4.39 4.23 3ho3A1 THR 389 HB 0.07 0.28 0.06 -0.04 4.32 4.69 3ho3A1 THR 389 HG23 0.06 -0.03 0.01 -0.04 1.22 1.22 3ho3A1 GLY 390 H 0.10 0.48 -0.10 -0.55 8.43 8.36 3ho3A1 GLY 390 HA2 0.11 0.02 0.16 -0.51 4.01 3.79 3ho3A1 GLY 390 HA3 0.11 -0.01 0.44 -0.51 4.01 4.05 3ho3A1 SER 391 H 0.10 0.23 -0.18 -0.55 8.46 8.07 3ho3A1 SER 391 HA 0.12 0.09 1.11 -0.75 4.49 5.06 3ho3A1 SER 391 HB2 0.09 0.07 -0.16 -0.04 3.95 3.91 3ho3A1 SER 391 HB3 0.11 0.02 -0.07 -0.04 3.93 3.95 3ho3A1 VAL 392 H 0.09 0.75 0.35 -0.55 8.24 8.88 3ho3A1 VAL 392 HA 0.06 0.20 0.99 -0.75 4.13 4.62 3ho3A1 VAL 392 HB 0.18 -0.05 0.14 -0.04 2.12 2.35 3ho3A1 VAL 392 HG13 0.19 0.01 -0.19 -0.04 0.97 0.93 3ho3A1 VAL 392 HG23 0.09 -0.02 -0.11 -0.04 0.95 0.87 3ho3A1 LEU 393 H -0.04 0.70 0.30 -0.55 8.37 8.79 3ho3A1 LEU 393 HA -0.10 0.27 0.99 -0.75 4.35 4.76 3ho3A1 LEU 393 HB2 -0.21 -0.16 0.07 -0.04 1.64 1.30 3ho3A1 LEU 393 HB3 -0.31 0.06 0.05 -0.04 1.64 1.40 3ho3A1 LEU 393 HG -0.12 0.08 -0.04 -0.04 1.64 1.51 3ho3A1 LEU 393 HD13 -0.34 -0.02 -0.10 -0.04 0.93 0.43 3ho3A1 LEU 393 HD23 -0.34 -0.02 -0.23 -0.04 0.89 0.25 3ho3A1 ARG 394 H -0.20 0.63 0.28 -0.55 8.46 8.62 3ho3A1 ARG 394 HA -0.59 0.25 0.88 -0.75 4.34 4.12 3ho3A1 ARG 394 HB2 -0.58 -0.02 -0.13 -0.04 1.90 1.12 3ho3A1 ARG 394 HB3 -0.37 0.05 0.09 -0.04 1.80 1.52 3ho3A1 ARG 394 HG2 -0.69 -0.05 -0.19 -0.04 1.67 0.69 3ho3A1 ARG 394 HG3 -1.27 0.02 -0.09 -0.04 1.67 0.28 3ho3A1 ARG 394 HD2 -0.48 -0.09 -0.11 -0.04 3.22 2.50 3ho3A1 ARG 394 HD3 -1.19 0.02 -0.10 -0.04 3.22 1.91 3ho3A1 LEU 395 H -0.38 0.69 0.30 -0.55 8.37 8.44 3ho3A1 LEU 395 HA -0.21 0.26 1.05 -0.75 4.35 4.70 3ho3A1 LEU 395 HB2 -0.22 -0.09 -0.02 -0.04 1.64 1.26 3ho3A1 LEU 395 HB3 -0.26 0.04 -0.10 -0.04 1.64 1.28 3ho3A1 LEU 395 HG -0.37 -0.01 -0.26 -0.04 1.64 0.95 3ho3A1 LEU 395 HD13 -0.62 -0.01 -0.17 -0.04 0.93 0.09 3ho3A1 LEU 395 HD23 -0.57 0.07 -0.25 -0.04 0.89 0.09 3ho3A1 ASP 396 H -0.01 0.82 0.30 -0.55 8.40 8.96 3ho3A1 ASP 396 HA 0.33 0.04 0.85 -0.75 4.63 5.10 3ho3A1 ASP 396 HB2 -0.12 -0.03 -0.04 -0.04 2.71 2.48 3ho3A1 ASP 396 HB3 0.10 0.05 -0.03 -0.04 2.70 2.77 3ho3A1 VAL 397 H 0.27 0.22 0.15 -0.55 8.24 8.33 3ho3A1 VAL 397 HA 0.36 0.16 0.55 -0.75 4.13 4.46 3ho3A1 VAL 397 HB 0.39 -0.00 0.01 -0.04 2.12 2.47 3ho3A1 VAL 397 HG13 0.55 0.02 0.08 -0.04 0.97 1.58 3ho3A1 VAL 397 HG23 0.13 0.01 0.02 -0.04 0.95 1.06 3ho3A1 ASP 398 H 0.25 0.05 -0.16 -0.55 8.40 7.99 3ho3A1 ASP 398 HA 0.19 0.07 0.47 -0.75 4.63 4.61 3ho3A1 ASP 398 HB2 0.16 -0.01 0.14 -0.04 2.71 2.96 3ho3A1 ASP 398 HB3 0.13 0.02 0.04 -0.04 2.70 2.85 3ho3A1 THR 399 H 0.16 0.44 0.21 -0.55 8.28 8.55 3ho3A1 THR 399 HA 0.10 0.15 0.84 -0.75 4.39 4.73 3ho3A1 THR 399 HB 0.10 0.14 -0.11 -0.04 4.32 4.41 3ho3A1 THR 399 HG23 0.06 -0.13 -0.01 -0.04 1.22 1.09 3ho3A1 ASP 400 H 0.05 0.15 0.14 -0.55 8.40 8.19 3ho3A1 ASP 400 HA 0.02 0.18 0.78 -0.75 4.63 4.85 3ho3A1 ASP 400 HB2 0.02 -0.00 0.05 -0.04 2.71 2.74 3ho3A1 ASP 400 HB3 0.00 0.01 0.10 -0.04 2.70 2.77 3ho3A1 MET 401 H 0.04 0.05 -0.04 -0.55 8.47 7.98 3ho3A1 MET 401 HA 0.00 0.14 0.81 -0.75 4.52 4.72 3ho3A1 MET 401 HB2 0.02 -0.01 0.12 -0.04 2.15 2.24 3ho3A1 MET 401 HB3 0.01 -0.03 -0.00 -0.04 2.03 1.96 3ho3A1 MET 401 HG2 0.00 0.01 0.02 -0.04 2.63 2.62 3ho3A1 MET 401 HG3 0.01 0.03 -0.08 -0.04 2.56 2.48 3ho3A1 MET 401 HE3 0.03 -0.02 -0.02 -0.04 2.10 2.06 3ho3A1 CYS 402 H -0.00 0.18 0.13 -0.55 8.50 8.27 3ho3A1 CYS 402 HA 0.12 0.22 0.33 -0.75 4.58 4.49 3ho3A1 CYS 402 HB2 -0.01 -0.00 0.03 -0.04 2.97 2.94 3ho3A1 CYS 402 HB3 -0.01 0.04 0.07 -0.04 2.97 3.03 3ho3A1 ASN 403 H 0.01 -0.03 -0.34 -0.55 8.53 7.62 3ho3A1 ASN 403 HA 0.00 0.08 0.44 -0.75 4.76 4.53 3ho3A1 ASN 403 HB2 -0.03 0.04 -0.07 -0.04 2.88 2.78 3ho3A1 ASN 403 HB3 -0.02 0.02 0.07 -0.04 2.79 2.82 3ho3A1 ASN 403 HD21 -0.01 -0.01 0.01 -0.04 7.03 6.98 3ho3A1 ASN 403 HD22 -0.01 0.05 0.01 -0.04 7.74 7.75 3ho3A1 VAL 404 H -0.01 0.28 -0.38 -0.55 8.24 7.57 3ho3A1 VAL 404 HA -0.14 0.22 0.85 -0.75 4.13 4.30 3ho3A1 VAL 404 HB -0.32 0.02 0.05 -0.04 2.12 1.84 3ho3A1 VAL 404 HG13 -0.14 -0.01 -0.16 -0.04 0.97 0.62 3ho3A1 VAL 404 HG23 -0.07 -0.05 -0.12 -0.04 0.95 0.67 3ho3A1 PRO 405 HA -0.38 0.09 0.57 -0.51 4.44 4.22 3ho3A1 PRO 405 HB2 -1.34 -0.04 0.03 -0.04 2.28 0.90 3ho3A1 PRO 405 HB3 -0.56 0.09 0.13 -0.04 2.02 1.63 3ho3A1 PRO 405 HG2 -0.44 0.01 0.12 -0.04 2.03 1.68 3ho3A1 PRO 405 HG3 -0.21 0.13 0.16 -0.04 2.03 2.06 3ho3A1 PRO 405 HD2 -0.37 0.08 0.26 -0.04 3.68 3.62 3ho3A1 PRO 405 HD3 -0.22 0.15 0.17 -0.04 3.65 3.71 3ho3A1 TYR 406 H -0.48 0.19 -0.14 -0.55 8.29 7.32 3ho3A1 TYR 406 HA 0.05 0.15 0.60 -0.75 4.56 4.59 3ho3A1 TYR 406 HB2 0.11 0.00 -0.12 -0.04 3.06 3.01 3ho3A1 TYR 406 HB3 0.14 0.06 -0.25 -0.04 2.98 2.89 3ho3A1 TYR 406 HD2 -0.04 0.03 -0.39 -0.04 7.15 6.71 3ho3A1 TYR 406 HE2 0.03 0.12 -0.09 -0.04 6.85 6.86 3ho3A1 SER 407 H 0.23 0.86 0.27 -0.55 8.46 9.27 3ho3A1 SER 407 HA 0.08 0.13 0.83 -0.75 4.49 4.78 3ho3A1 SER 407 HB2 0.10 -0.07 -0.08 -0.04 3.95 3.87 3ho3A1 SER 407 HB3 0.13 -0.02 -0.04 -0.04 3.93 3.96 3ho3A1 ILE 408 H 0.15 0.15 0.11 -0.55 8.25 8.11 3ho3A1 ILE 408 HA 0.07 0.17 0.77 -0.75 4.18 4.44 3ho3A1 ILE 408 HB 0.24 -0.04 0.10 -0.04 1.89 2.14 3ho3A1 ILE 408 HG12 0.15 0.04 -0.16 -0.04 1.49 1.48 3ho3A1 ILE 408 HG13 0.21 -0.10 -0.17 -0.04 1.21 1.10 3ho3A1 ILE 408 HG23 0.23 0.09 -0.19 -0.04 0.93 1.03 3ho3A1 ILE 408 HD13 0.05 0.01 -0.00 -0.04 0.88 0.89 3ho3A1 PRO 409 HA -0.26 -0.02 0.42 -0.51 4.44 4.07 3ho3A1 PRO 409 HB2 -0.39 -0.10 0.05 -0.04 2.28 1.80 3ho3A1 PRO 409 HB3 -1.01 -0.01 0.04 -0.04 2.02 1.00 3ho3A1 PRO 409 HG2 -0.70 0.09 -0.14 -0.04 2.03 1.23 3ho3A1 PRO 409 HG3 -1.23 -0.03 -0.14 -0.04 2.03 0.58 3ho3A1 PRO 409 HD2 -0.18 0.32 0.21 -0.04 3.68 4.00 3ho3A1 PRO 409 HD3 -0.21 0.04 0.32 -0.04 3.65 3.75 3ho3A1 ARG 410 H -0.23 0.09 0.19 -0.55 8.46 7.96 3ho3A1 ARG 410 HA -1.85 0.16 0.42 -0.75 4.34 2.32 3ho3A1 ARG 410 HB2 -0.41 0.01 0.02 -0.04 1.90 1.49 3ho3A1 ARG 410 HB3 -0.52 0.03 0.12 -0.04 1.80 1.40 3ho3A1 ARG 410 HG2 -0.11 -0.08 0.07 -0.04 1.67 1.51 3ho3A1 ARG 410 HG3 -0.10 0.01 0.02 -0.04 1.67 1.56 3ho3A1 ARG 410 HD2 -0.03 0.02 0.05 -0.04 3.22 3.22 3ho3A1 ARG 410 HD3 -0.10 0.01 0.17 -0.04 3.22 3.25 3ho3A1 SER 411 H -0.16 -0.08 -0.33 -0.55 8.46 7.35 3ho3A1 SER 411 HA -0.04 0.13 0.62 -0.75 4.49 4.44 3ho3A1 SER 411 HB2 0.15 0.14 0.11 -0.04 3.95 4.31 3ho3A1 SER 411 HB3 0.03 -0.06 -0.05 -0.04 3.93 3.81 3ho3A1 ASN 412 H -0.09 0.00 -0.27 -0.55 8.53 7.63 3ho3A1 ASN 412 HA 0.16 -0.01 0.48 -0.75 4.76 4.63 3ho3A1 ASN 412 HB2 0.03 0.20 0.03 -0.04 2.88 3.10 3ho3A1 ASN 412 HB3 0.09 0.32 -0.13 -0.04 2.79 3.02 3ho3A1 ASN 412 HD21 -0.20 0.04 0.12 -0.04 7.03 6.95 3ho3A1 ASN 412 HD22 -0.03 0.12 0.06 -0.04 7.74 7.85 3ho3A1 PRO 413 HA -0.04 0.14 0.60 -0.51 4.44 4.64 3ho3A1 PRO 413 HB2 -0.63 -0.08 -0.14 -0.04 2.28 1.40 3ho3A1 PRO 413 HB3 -0.15 0.03 -0.40 -0.04 2.02 1.45 3ho3A1 PRO 413 HG2 -0.40 0.17 0.01 -0.04 2.03 1.76 3ho3A1 PRO 413 HG3 -0.40 0.00 -0.21 -0.04 2.03 1.39 3ho3A1 PRO 413 HD2 0.02 0.07 0.22 -0.04 3.68 3.95 3ho3A1 PRO 413 HD3 -0.09 0.07 0.17 -0.04 3.65 3.76 3ho3A1 HIS 414 H -0.05 0.10 0.13 -0.55 8.41 8.04 3ho3A1 HIS 414 HA 0.06 -0.13 0.26 -0.75 4.63 4.07 3ho3A1 HIS 414 HB2 0.06 0.27 0.11 -0.04 3.26 3.66 3ho3A1 HIS 414 HB3 0.05 0.09 -0.11 -0.04 3.20 3.19 3ho3A1 HIS 414 HD2 0.04 0.36 -0.07 -0.04 6.97 7.25 3ho3A1 HIS 414 HE1 0.02 -0.10 -0.03 -0.04 7.75 7.60 3ho3A1 PHE 415 H 0.22 0.17 -0.27 -0.55 8.34 7.92 3ho3A1 PHE 415 HA 0.04 0.10 0.24 -0.75 4.62 4.26 3ho3A1 PHE 415 HB2 0.02 0.39 0.00 -0.04 3.15 3.52 3ho3A1 PHE 415 HB3 0.03 -0.16 0.06 -0.04 3.06 2.95 3ho3A1 PHE 415 HD2 0.02 0.01 -0.11 -0.04 7.28 7.15 3ho3A1 PHE 415 HE2 0.01 0.02 -0.05 -0.04 7.38 7.33 3ho3A1 PHE 415 HZ 0.02 -0.08 -0.00 -0.04 7.32 7.22 3ho3A1 ASN 416 H 0.11 -0.08 -0.22 -0.55 8.53 7.79 3ho3A1 ASN 416 HA -0.18 0.27 0.96 -0.75 4.76 5.05 3ho3A1 ASN 416 HB2 0.05 -0.04 0.08 -0.04 2.88 2.94 3ho3A1 ASN 416 HB3 0.00 -0.04 -0.01 -0.04 2.79 2.70 3ho3A1 ASN 416 HD21 -0.02 -0.01 -0.01 -0.04 7.03 6.95 3ho3A1 ASN 416 HD22 0.00 -0.04 -0.01 -0.04 7.74 7.65 3ho3A1 SER 417 H 0.06 0.00 0.02 -0.55 8.46 8.00 3ho3A1 SER 417 HA 0.02 -0.04 0.26 -0.75 4.49 3.98 3ho3A1 SER 417 HB2 0.07 -0.01 0.15 -0.04 3.95 4.12 3ho3A1 SER 417 HB3 0.11 0.03 0.19 -0.04 3.93 4.22 3ho3A1 THR 418 H 0.00 0.04 0.09 -0.55 8.28 7.86 3ho3A1 THR 418 HA 0.00 0.25 0.53 -0.75 4.39 4.42 3ho3A1 THR 418 HB -0.02 0.13 0.15 -0.04 4.32 4.54 3ho3A1 THR 418 HG23 -0.01 -0.04 0.11 -0.04 1.22 1.24 3ho3A1 ASN 419 H -0.00 0.34 -0.03 -0.55 8.53 8.30 3ho3A1 ASN 419 HA -0.01 0.12 0.46 -0.75 4.76 4.57 3ho3A1 ASN 419 HB2 -0.01 -0.01 -0.04 -0.04 2.88 2.78 3ho3A1 ASN 419 HB3 -0.01 0.01 0.12 -0.04 2.79 2.87 3ho3A1 ASN 419 HD21 0.01 -0.08 -0.24 -0.04 7.03 6.68 3ho3A1 ASN 419 HD22 -0.00 0.22 -0.39 -0.04 7.74 7.54 3ho3A1 GLN 420 H -0.04 0.18 0.23 -0.55 8.47 8.30 3ho3A1 GLN 420 HA -0.10 0.19 0.82 -0.75 4.36 4.52 3ho3A1 GLN 420 HB2 -0.34 -0.05 0.10 -0.04 2.15 1.83 3ho3A1 GLN 420 HB3 -0.74 0.13 0.00 -0.04 2.02 1.37 3ho3A1 GLN 420 HG2 -0.13 0.04 0.05 -0.04 2.40 2.32 3ho3A1 GLN 420 HG3 -0.08 -0.06 -0.17 -0.04 2.39 2.04 3ho3A1 GLN 420 HE21 0.12 -0.05 -0.01 -0.04 6.97 6.99 3ho3A1 GLN 420 HE22 0.02 0.02 -0.01 -0.04 7.69 7.68 3ho3A1 PRO 421 HA 0.10 0.11 0.40 -0.51 4.44 4.54 3ho3A1 PRO 421 HB2 0.25 -0.09 0.05 -0.04 2.28 2.46 3ho3A1 PRO 421 HB3 0.43 0.02 0.05 -0.04 2.02 2.48 3ho3A1 PRO 421 HG2 0.15 0.17 0.10 -0.04 2.03 2.41 3ho3A1 PRO 421 HG3 0.07 0.04 0.05 -0.04 2.03 2.15 3ho3A1 PRO 421 HD2 -0.06 0.08 0.18 -0.04 3.68 3.84 3ho3A1 PRO 421 HD3 -0.03 0.14 0.21 -0.04 3.65 3.93 3ho3A1 PRO 422 HA 0.19 0.24 0.35 -0.51 4.44 4.72 3ho3A1 PRO 422 HB2 0.10 -0.07 -0.09 -0.04 2.28 2.19 3ho3A1 PRO 422 HB3 0.07 0.28 0.05 -0.04 2.02 2.37 3ho3A1 PRO 422 HG2 0.13 -0.08 0.05 -0.04 2.03 2.09 3ho3A1 PRO 422 HG3 0.05 0.04 0.05 -0.04 2.03 2.13 3ho3A1 PRO 422 HD2 0.14 -0.02 0.21 -0.04 3.68 3.97 3ho3A1 PRO 422 HD3 0.07 0.26 0.19 -0.04 3.65 4.13 3ho3A1 GLU 423 H 0.09 0.05 -0.22 -0.55 8.60 7.98 3ho3A1 GLU 423 HA -0.06 0.17 0.41 -0.75 4.29 4.05 3ho3A1 GLU 423 HB2 -0.51 0.00 -0.04 -0.04 2.09 1.50 3ho3A1 GLU 423 HB3 -0.45 -0.08 -0.00 -0.04 1.99 1.43 3ho3A1 GLU 423 HG2 -0.18 -0.02 -0.06 -0.04 2.34 2.03 3ho3A1 GLU 423 HG3 0.06 0.04 -0.07 -0.04 2.34 2.33 3ho3A1 VAL 424 H 0.09 0.28 -0.54 -0.55 8.24 7.52 3ho3A1 VAL 424 HA 0.01 0.02 0.46 -0.75 4.13 3.87 3ho3A1 VAL 424 HB 0.15 0.18 0.07 -0.04 2.12 2.48 3ho3A1 VAL 424 HG13 0.15 -0.02 -0.28 -0.04 0.97 0.78 3ho3A1 VAL 424 HG23 0.16 -0.02 -0.05 -0.04 0.95 1.00 3ho3A1 PHE 425 H 0.12 0.54 0.44 -0.55 8.34 8.89 3ho3A1 PHE 425 HA -0.11 0.17 0.65 -0.75 4.62 4.57 3ho3A1 PHE 425 HB2 -0.15 -0.02 -0.01 -0.04 3.15 2.92 3ho3A1 PHE 425 HB3 -0.08 0.08 0.00 -0.04 3.06 3.03 3ho3A1 PHE 425 HD2 -0.12 0.03 -0.07 -0.04 7.28 7.07 3ho3A1 PHE 425 HE2 -0.33 -0.02 -0.08 -0.04 7.38 6.90 3ho3A1 PHE 425 HZ -0.58 -0.06 0.00 -0.04 7.32 6.64 3ho3A1 ALA 426 H 0.06 0.36 0.21 -0.55 8.40 8.48 3ho3A1 ALA 426 HA -0.27 0.08 0.50 -0.75 4.34 3.90 3ho3A1 ALA 426 HB3 -0.15 0.03 -0.03 -0.04 1.41 1.21 3ho3A1 HIS 427 H -0.46 0.18 0.15 -0.55 8.41 7.74 3ho3A1 HIS 427 HA 0.04 0.23 1.07 -0.75 4.63 5.21 3ho3A1 HIS 427 HB2 0.05 -0.01 0.10 -0.04 3.26 3.36 3ho3A1 HIS 427 HB3 0.05 0.05 -0.12 -0.04 3.20 3.13 3ho3A1 HIS 427 HD2 0.05 0.06 -0.09 -0.04 6.97 6.95 3ho3A1 HIS 427 HE1 0.02 -0.03 -0.05 -0.04 7.75 7.64 3ho3A1 GLY 428 H 0.18 0.38 0.24 -0.55 8.43 8.69 3ho3A1 GLY 428 HA2 0.11 -0.01 0.30 -0.51 4.01 3.90 3ho3A1 GLY 428 HA3 0.09 0.15 0.83 -0.51 4.01 4.57 3ho3A1 LEU 429 H 0.07 0.45 0.07 -0.55 8.37 8.41 3ho3A1 LEU 429 HA -0.09 -0.01 0.46 -0.75 4.35 3.95 3ho3A1 LEU 429 HB2 0.06 0.22 -0.15 -0.04 1.64 1.74 3ho3A1 LEU 429 HB3 0.06 -0.00 -0.24 -0.04 1.64 1.42 3ho3A1 LEU 429 HG 0.03 -0.07 -0.25 -0.04 1.64 1.31 3ho3A1 LEU 429 HD13 0.00 -0.02 -0.22 -0.04 0.93 0.66 3ho3A1 LEU 429 HD23 0.05 0.04 -0.33 -0.04 0.89 0.61 3ho3A1 HIS 430 H -0.06 0.05 0.03 -0.55 8.41 7.89 3ho3A1 HIS 430 HA 0.08 0.24 0.95 -0.75 4.63 5.15 3ho3A1 HIS 430 HB2 0.01 -0.23 0.17 -0.04 3.26 3.18 3ho3A1 HIS 430 HB3 0.11 -0.01 0.03 -0.04 3.20 3.28 3ho3A1 HIS 430 HD2 0.03 -0.03 0.00 -0.04 6.97 6.93 3ho3A1 HIS 430 HE1 0.03 0.01 -0.13 -0.04 7.75 7.61 3ho3A1 ASP 431 H 0.01 0.01 0.09 -0.55 8.40 7.96 3ho3A1 ASP 431 HA -0.16 0.22 1.05 -0.75 4.63 4.99 3ho3A1 ASP 431 HB2 -1.47 0.00 0.03 -0.04 2.71 1.23 3ho3A1 ASP 431 HB3 -0.34 -0.20 0.26 -0.04 2.70 2.38 3ho3A1 PRO 432 HA -0.00 0.15 0.50 -0.51 4.44 4.58 3ho3A1 PRO 432 HB2 0.03 0.22 -0.08 -0.04 2.28 2.41 3ho3A1 PRO 432 HB3 0.02 -0.04 -0.10 -0.04 2.02 1.86 3ho3A1 PRO 432 HG2 0.03 0.02 -0.02 -0.04 2.03 2.02 3ho3A1 PRO 432 HG3 0.04 0.10 -0.29 -0.04 2.03 1.83 3ho3A1 PRO 432 HD2 0.01 -0.02 0.07 -0.04 3.68 3.70 3ho3A1 PRO 432 HD3 0.03 0.10 -0.43 -0.04 3.65 3.32 3ho3A1 GLY 433 H 0.03 0.43 0.27 -0.55 8.43 8.62 3ho3A1 GLY 433 HA2 0.04 0.14 0.75 -0.51 4.01 4.43 3ho3A1 GLY 433 HA3 0.07 0.08 0.36 -0.51 4.01 4.01 3ho3A1 ARG 434 H 0.13 0.54 0.39 -0.55 8.46 8.97 3ho3A1 ARG 434 HA 0.09 0.04 0.70 -0.75 4.34 4.42 3ho3A1 ARG 434 HB2 0.18 0.11 0.22 -0.04 1.90 2.37 3ho3A1 ARG 434 HB3 0.31 -0.13 0.18 -0.04 1.80 2.12 3ho3A1 ARG 434 HG2 0.12 -0.00 0.14 -0.04 1.67 1.88 3ho3A1 ARG 434 HG3 0.23 -0.04 0.12 -0.04 1.67 1.95 3ho3A1 ARG 434 HD2 0.20 0.02 -0.04 -0.04 3.22 3.36 3ho3A1 ARG 434 HD3 0.08 0.10 -0.38 -0.04 3.22 2.98 3ho3A1 CYS 435 H 0.06 0.14 0.15 -0.55 8.50 8.30 3ho3A1 CYS 435 HA 0.10 0.01 0.65 -0.75 4.58 4.58 3ho3A1 CYS 435 HB2 0.04 -0.02 -0.05 -0.04 2.97 2.91 3ho3A1 CYS 435 HB3 0.08 0.04 -0.28 -0.04 2.97 2.77 3ho3A1 ALA 436 H 0.07 0.41 0.24 -0.55 8.40 8.57 3ho3A1 ALA 436 HA -0.06 0.14 0.49 -0.75 4.34 4.16 3ho3A1 ALA 436 HB3 -0.07 -0.04 -0.16 -0.04 1.41 1.10 3ho3A1 VAL 437 H -0.02 0.16 0.19 -0.55 8.24 8.03 3ho3A1 VAL 437 HA 0.01 0.26 1.06 -0.75 4.13 4.70 3ho3A1 VAL 437 HB -0.01 -0.01 0.17 -0.04 2.12 2.22 3ho3A1 VAL 437 HG13 -0.06 -0.01 -0.21 -0.04 0.97 0.64 3ho3A1 VAL 437 HG23 -0.02 0.05 -0.19 -0.04 0.95 0.74 3ho3A1 ASP 438 H 0.02 0.83 0.31 -0.55 8.40 9.01 3ho3A1 ASP 438 HA -0.08 0.10 0.75 -0.75 4.63 4.64 3ho3A1 ASP 438 HB2 -0.06 0.00 -0.04 -0.04 2.71 2.58 3ho3A1 ASP 438 HB3 0.09 -0.04 0.18 -0.04 2.70 2.88 3ho3A1 ARG 439 H -0.00 0.20 0.16 -0.55 8.46 8.26 3ho3A1 ARG 439 HA -0.09 0.18 0.75 -0.75 4.34 4.43 3ho3A1 ARG 439 HB2 -0.05 0.03 0.03 -0.04 1.90 1.87 3ho3A1 ARG 439 HB3 -0.13 0.03 0.18 -0.04 1.80 1.84 3ho3A1 ARG 439 HG2 -0.04 -0.07 -0.20 -0.04 1.67 1.32 3ho3A1 ARG 439 HG3 0.01 0.04 0.06 -0.04 1.67 1.73 3ho3A1 ARG 439 HD2 0.02 0.00 0.03 -0.04 3.22 3.23 3ho3A1 ARG 439 HD3 -0.03 0.01 0.04 -0.04 3.22 3.19 3ho3A1 HIS 440 H 0.07 -0.05 -0.22 -0.55 8.41 7.66 3ho3A1 HIS 440 HA 0.01 0.27 0.69 -0.75 4.63 4.85 3ho3A1 HIS 440 HB2 -0.01 -0.07 0.07 -0.04 3.26 3.21 3ho3A1 HIS 440 HB3 0.04 0.04 0.11 -0.04 3.20 3.34 3ho3A1 HIS 440 HD2 0.03 -0.00 0.02 -0.04 6.97 6.97 3ho3A1 HIS 440 HE1 0.00 -0.01 -0.03 -0.04 7.75 7.67 3ho3A1 PRO 441 HA 0.09 -0.05 0.15 -0.51 4.44 4.11 3ho3A1 PRO 441 HB2 0.05 0.21 -0.22 -0.04 2.28 2.28 3ho3A1 PRO 441 HB3 0.08 -0.07 -0.09 -0.04 2.02 1.91 3ho3A1 PRO 441 HG2 0.03 -0.09 -0.59 -0.04 2.03 1.34 3ho3A1 PRO 441 HG3 0.04 0.02 -0.25 -0.04 2.03 1.80 3ho3A1 PRO 441 HD2 0.00 0.25 -0.24 -0.04 3.68 3.65 3ho3A1 PRO 441 HD3 -0.02 0.11 -0.67 -0.04 3.65 3.03 3ho3A1 THR 442 H 0.10 0.07 0.12 -0.55 8.28 8.02 3ho3A1 THR 442 HA 0.08 0.18 0.40 -0.75 4.39 4.29 3ho3A1 THR 442 HB 0.09 0.08 0.10 -0.04 4.32 4.55 3ho3A1 THR 442 HG23 0.10 -0.01 0.06 -0.04 1.22 1.33 3ho3A1 ASP 443 H 0.06 0.01 -0.33 -0.55 8.40 7.59 3ho3A1 ASP 443 HA 0.03 0.09 0.71 -0.75 4.63 4.71 3ho3A1 ASP 443 HB2 0.03 0.03 0.03 -0.04 2.71 2.75 3ho3A1 ASP 443 HB3 0.04 -0.01 0.09 -0.04 2.70 2.78 3ho3A1 ILE 444 H 0.03 0.21 0.11 -0.55 8.25 8.05 3ho3A1 ILE 444 HA 0.03 0.17 0.22 -0.75 4.18 3.84 3ho3A1 ILE 444 HB 0.02 -0.07 -0.00 -0.04 1.89 1.80 3ho3A1 ILE 444 HG12 0.03 0.08 0.07 -0.04 1.49 1.63 3ho3A1 ILE 444 HG13 0.03 -0.04 0.18 -0.04 1.21 1.34 3ho3A1 ILE 444 HG23 0.02 0.01 -0.02 -0.04 0.93 0.90 3ho3A1 ILE 444 HD13 0.02 -0.01 0.03 -0.04 0.88 0.88 3ho3A1 ASN 445 H 0.02 -0.06 -0.46 -0.55 8.53 7.48 3ho3A1 ASN 445 HA 0.02 0.05 0.40 -0.75 4.76 4.47 3ho3A1 ASN 445 HB2 0.02 -0.05 -0.02 -0.04 2.88 2.80 3ho3A1 ASN 445 HB3 0.02 -0.00 -0.04 -0.04 2.79 2.72 3ho3A1 ASN 445 HD21 0.01 -0.00 -0.02 -0.04 7.03 6.97 3ho3A1 ASN 445 HD22 0.01 -0.00 -0.03 -0.04 7.74 7.67 3ho3A1 ILE 446 H 0.03 0.48 -0.10 -0.55 8.25 8.12 3ho3A1 ILE 446 HA 0.05 0.07 0.61 -0.75 4.18 4.15 3ho3A1 ILE 446 HB 0.05 0.00 -0.06 -0.04 1.89 1.84 3ho3A1 ILE 446 HG12 0.03 -0.02 0.01 -0.04 1.49 1.48 3ho3A1 ILE 446 HG13 0.04 -0.05 -0.05 -0.04 1.21 1.12 3ho3A1 ILE 446 HG23 0.06 -0.06 -0.05 -0.04 0.93 0.84 3ho3A1 ILE 446 HD13 0.04 -0.01 -0.21 -0.04 0.88 0.67 3ho3A1 ASN 447 H 0.04 0.38 0.35 -0.55 8.53 8.76 3ho3A1 ASN 447 HA -0.00 0.29 0.91 -0.75 4.76 5.21 3ho3A1 ASN 447 HB2 -0.02 0.04 0.12 -0.04 2.88 2.98 3ho3A1 ASN 447 HB3 0.01 -0.02 -0.04 -0.04 2.79 2.70 3ho3A1 ASN 447 HD21 0.06 -0.11 -0.27 -0.04 7.03 6.67 3ho3A1 ASN 447 HD22 0.05 0.27 0.05 -0.04 7.74 8.07 3ho3A1 LEU 448 H 0.03 0.21 0.26 -0.55 8.37 8.33 3ho3A1 LEU 448 HA -0.04 0.33 0.58 -0.75 4.35 4.47 3ho3A1 LEU 448 HB2 -0.06 0.06 -0.06 -0.04 1.64 1.53 3ho3A1 LEU 448 HB3 -0.06 -0.10 0.07 -0.04 1.64 1.51 3ho3A1 LEU 448 HG -0.22 -0.11 0.01 -0.04 1.64 1.28 3ho3A1 LEU 448 HD13 -0.33 -0.01 -0.26 -0.04 0.93 0.29 3ho3A1 LEU 448 HD23 -0.11 0.02 -0.03 -0.04 0.89 0.72 3ho3A1 THR 449 H 0.00 0.55 0.23 -0.55 8.28 8.51 3ho3A1 THR 449 HA 0.05 0.33 1.08 -0.75 4.39 5.10 3ho3A1 THR 449 HB 0.15 -0.06 0.13 -0.04 4.32 4.49 3ho3A1 THR 449 HG23 0.14 -0.00 -0.23 -0.04 1.22 1.09 3ho3A1 ILE 450 H 0.04 0.53 0.25 -0.55 8.25 8.52 3ho3A1 ILE 450 HA 0.07 0.40 1.05 -0.75 4.18 4.94 3ho3A1 ILE 450 HB -0.03 0.03 -0.02 -0.04 1.89 1.82 3ho3A1 ILE 450 HG12 0.06 0.05 -0.35 -0.04 1.49 1.20 3ho3A1 ILE 450 HG13 0.01 -0.00 -0.20 -0.04 1.21 0.98 3ho3A1 ILE 450 HG23 -0.08 -0.01 -0.10 -0.04 0.93 0.69 3ho3A1 ILE 450 HD13 0.05 -0.03 -0.21 -0.04 0.88 0.65 3ho3A1 LEU 451 H 0.16 0.68 0.19 -0.55 8.37 8.85 3ho3A1 LEU 451 HA 0.11 0.24 0.97 -0.75 4.35 4.92 3ho3A1 LEU 451 HB2 0.20 -0.02 -0.11 -0.04 1.64 1.66 3ho3A1 LEU 451 HB3 0.37 -0.07 0.04 -0.04 1.64 1.93 3ho3A1 LEU 451 HG 0.09 0.03 -0.16 -0.04 1.64 1.57 3ho3A1 LEU 451 HD13 -0.20 -0.01 -0.12 -0.04 0.93 0.56 3ho3A1 LEU 451 HD23 0.06 0.01 -0.29 -0.04 0.89 0.63 3ho3A1 CYS 452 H 0.08 0.91 0.32 -0.55 8.50 9.26 3ho3A1 CYS 452 HA 0.18 0.10 0.87 -0.75 4.58 4.98 3ho3A1 CYS 452 HB2 0.04 0.02 -0.00 -0.04 2.97 2.98 3ho3A1 CYS 452 HB3 0.05 -0.01 -0.15 -0.04 2.97 2.82 3ho3A1 SER 453 H 0.19 0.18 0.08 -0.55 8.46 8.37 3ho3A1 SER 453 HA -0.06 0.22 0.85 -0.75 4.49 4.75 3ho3A1 SER 453 HB2 -0.24 0.03 -0.06 -0.04 3.95 3.63 3ho3A1 SER 453 HB3 -0.16 0.01 -0.04 -0.04 3.93 3.71 3ho3A1 ASP 454 H -0.04 0.96 0.32 -0.55 8.40 9.10 3ho3A1 ASP 454 HA -0.03 0.23 0.80 -0.75 4.63 4.86 3ho3A1 ASP 454 HB2 -0.05 0.07 -0.06 -0.04 2.71 2.64 3ho3A1 ASP 454 HB3 -0.04 0.07 0.05 -0.04 2.70 2.74 3ho3A1 SER 455 H -0.07 0.59 0.26 -0.55 8.46 8.70 3ho3A1 SER 455 HA -0.05 0.13 0.45 -0.75 4.49 4.27 3ho3A1 SER 455 HB2 -0.13 -0.06 0.17 -0.04 3.95 3.88 3ho3A1 SER 455 HB3 -0.05 -0.03 0.08 -0.04 3.93 3.89 3ho3A1 ASN 456 H 0.02 -0.04 -0.18 -0.55 8.53 7.77 3ho3A1 ASN 456 HA 0.18 -0.01 0.24 -0.75 4.76 4.41 3ho3A1 ASN 456 HB2 0.04 0.17 -0.58 -0.04 2.88 2.47 3ho3A1 ASN 456 HB3 0.08 -0.06 0.00 -0.04 2.79 2.78 3ho3A1 ASN 456 HD21 0.02 -0.04 -0.08 -0.04 7.03 6.90 3ho3A1 ASN 456 HD22 0.05 0.01 -0.04 -0.04 7.74 7.71 3ho3A1 GLY 457 H 0.03 0.04 -1.03 -0.55 8.43 6.93 3ho3A1 GLY 457 HA2 0.13 0.01 0.30 -0.51 4.01 3.94 3ho3A1 GLY 457 HA3 0.11 0.15 0.60 -0.51 4.01 4.36 3ho3A1 LYS 458 H 0.04 0.43 -0.22 -0.55 8.42 8.12 3ho3A1 LYS 458 HA 0.01 0.12 0.35 -0.75 4.32 4.04 3ho3A1 LYS 458 HB2 0.02 0.03 0.12 -0.04 1.87 2.00 3ho3A1 LYS 458 HB3 0.01 0.03 0.19 -0.04 1.79 1.97 3ho3A1 LYS 458 HG2 0.00 0.00 0.00 -0.04 1.46 1.43 3ho3A1 LYS 458 HG3 0.01 0.01 0.07 -0.04 1.46 1.51 3ho3A1 LYS 458 HD2 0.00 0.03 0.04 -0.04 1.69 1.72 3ho3A1 LYS 458 HD3 0.00 0.00 0.04 -0.04 1.68 1.68 3ho3A1 LYS 458 HE2 -0.01 -0.01 0.00 -0.04 2.99 2.93 3ho3A1 LYS 458 HE3 -0.01 0.01 0.02 -0.04 2.99 2.96 3ho3A1 ASN 459 H 0.02 0.46 -0.65 -0.55 8.53 7.81 3ho3A1 ASN 459 HA 0.00 0.03 0.25 -0.75 4.76 4.29 3ho3A1 ASN 459 HB2 0.00 0.06 -0.27 -0.04 2.88 2.64 3ho3A1 ASN 459 HB3 0.00 -0.02 0.15 -0.04 2.79 2.88 3ho3A1 ASN 459 HD21 -0.00 -0.01 0.04 -0.04 7.03 7.02 3ho3A1 ASN 459 HD22 0.00 0.02 -0.00 -0.04 7.74 7.71 3ho3A1 ARG 460 H 0.02 0.00 -1.08 -0.55 8.46 6.85 3ho3A1 ARG 460 HA 0.02 0.10 0.36 -0.75 4.34 4.06 3ho3A1 ARG 460 HB2 0.02 -0.05 -0.19 -0.04 1.90 1.64 3ho3A1 ARG 460 HB3 0.03 -0.05 -0.01 -0.04 1.80 1.73 3ho3A1 ARG 460 HG2 0.02 0.02 0.02 -0.04 1.67 1.69 3ho3A1 ARG 460 HG3 0.02 0.05 0.02 -0.04 1.67 1.71 3ho3A1 ARG 460 HD2 0.02 0.00 0.01 -0.04 3.22 3.21 3ho3A1 ARG 460 HD3 0.03 -0.03 -0.00 -0.04 3.22 3.17 3ho3A1 SER 461 H 0.01 0.52 -0.33 -0.55 8.46 8.12 3ho3A1 SER 461 HA -0.00 0.09 0.18 -0.75 4.49 4.01 3ho3A1 SER 461 HB2 -0.04 -0.08 -0.12 -0.04 3.95 3.66 3ho3A1 SER 461 HB3 0.01 0.03 -0.09 -0.04 3.93 3.84 3ho3A1 SER 462 H 0.01 0.52 0.29 -0.55 8.46 8.73 3ho3A1 SER 462 HA 0.03 0.10 0.84 -0.75 4.49 4.70 3ho3A1 SER 462 HB2 -0.10 0.11 0.00 -0.04 3.95 3.93 3ho3A1 SER 462 HB3 -0.02 0.10 -0.22 -0.04 3.93 3.75 3ho3A1 ALA 463 H -0.39 0.53 0.36 -0.55 8.40 8.35 3ho3A1 ALA 463 HA -0.12 0.25 1.06 -0.75 4.34 4.78 3ho3A1 ALA 463 HB3 -0.78 -0.02 0.01 -0.04 1.41 0.58 3ho3A1 ARG 464 H -0.08 0.58 0.31 -0.55 8.46 8.73 3ho3A1 ARG 464 HA -0.03 0.37 0.94 -0.75 4.34 4.87 3ho3A1 ARG 464 HB2 -0.02 -0.11 -0.01 -0.04 1.90 1.72 3ho3A1 ARG 464 HB3 -0.00 0.04 -0.21 -0.04 1.80 1.58 3ho3A1 ARG 464 HG2 -0.05 0.10 -0.19 -0.04 1.67 1.48 3ho3A1 ARG 464 HG3 -0.07 -0.08 -0.31 -0.04 1.67 1.16 3ho3A1 ARG 464 HD2 -0.08 -0.16 -0.16 -0.04 3.22 2.78 3ho3A1 ARG 464 HD3 -0.05 0.06 -0.20 -0.04 3.22 2.99 3ho3A1 ILE 465 H 0.10 0.77 0.18 -0.55 8.25 8.75 3ho3A1 ILE 465 HA 0.09 0.18 1.09 -0.75 4.18 4.79 3ho3A1 ILE 465 HB 0.22 -0.04 -0.14 -0.04 1.89 1.89 3ho3A1 ILE 465 HG12 0.07 -0.00 -0.30 -0.04 1.49 1.21 3ho3A1 ILE 465 HG13 0.08 0.00 -0.13 -0.04 1.21 1.12 3ho3A1 ILE 465 HG23 0.14 0.06 0.02 -0.04 0.93 1.11 3ho3A1 ILE 465 HD13 -0.01 -0.01 -0.13 -0.04 0.88 0.69 3ho3A1 LEU 466 H 0.07 0.74 0.30 -0.55 8.37 8.94 3ho3A1 LEU 466 HA 0.06 0.17 0.93 -0.75 4.35 4.75 3ho3A1 LEU 466 HB2 0.07 0.00 -0.13 -0.04 1.64 1.54 3ho3A1 LEU 466 HB3 0.07 0.04 0.14 -0.04 1.64 1.86 3ho3A1 LEU 466 HG 0.16 -0.07 -0.32 -0.04 1.64 1.37 3ho3A1 LEU 466 HD13 0.16 0.01 -0.14 -0.04 0.93 0.91 3ho3A1 LEU 466 HD23 0.21 -0.00 -0.14 -0.04 0.89 0.91 3ho3A1 GLN 467 H 0.08 0.24 0.13 -0.55 8.47 8.38 3ho3A1 GLN 467 HA 0.08 0.25 1.13 -0.75 4.36 5.07 3ho3A1 GLN 467 HB2 0.08 -0.00 0.11 -0.04 2.15 2.30 3ho3A1 GLN 467 HB3 0.08 0.02 -0.04 -0.04 2.02 2.03 3ho3A1 GLN 467 HG2 0.06 0.02 -0.11 -0.04 2.40 2.33 3ho3A1 GLN 467 HG3 0.05 -0.06 -0.33 -0.04 2.39 2.02 3ho3A1 GLN 467 HE21 0.01 -0.01 -0.06 -0.04 6.97 6.86 3ho3A1 GLN 467 HE22 0.03 -0.01 -0.08 -0.04 7.69 7.59 3ho3A1 ILE 468 H 0.09 0.69 0.35 -0.55 8.25 8.83 3ho3A1 ILE 468 HA 0.34 0.16 0.82 -0.75 4.18 4.75 3ho3A1 ILE 468 HB 0.05 -0.00 0.15 -0.04 1.89 2.05 3ho3A1 ILE 468 HG12 -0.02 -0.00 -0.09 -0.04 1.49 1.34 3ho3A1 ILE 468 HG13 0.29 0.08 -0.13 -0.04 1.21 1.41 3ho3A1 ILE 468 HG23 0.17 -0.01 -0.20 -0.04 0.93 0.85 3ho3A1 ILE 468 HD13 0.02 -0.01 -0.23 -0.04 0.88 0.62 3ho3A1 ILE 469 H 0.41 0.22 0.17 -0.55 8.25 8.51 3ho3A1 ILE 469 HA 0.09 0.15 0.91 -0.75 4.18 4.58 3ho3A1 ILE 469 HB 0.03 -0.02 0.09 -0.04 1.89 1.95 3ho3A1 ILE 469 HG12 0.05 0.10 -0.15 -0.04 1.49 1.45 3ho3A1 ILE 469 HG13 0.12 -0.08 -0.37 -0.04 1.21 0.84 3ho3A1 ILE 469 HG23 -0.01 0.05 -0.15 -0.04 0.93 0.78 3ho3A1 ILE 469 HD13 0.05 -0.00 -0.05 -0.04 0.88 0.83 3ho3A1 LYS 470 H 0.04 0.28 0.18 -0.55 8.42 8.36 3ho3A1 LYS 470 HA 0.06 -0.04 0.33 -0.75 4.32 3.91 3ho3A1 LYS 470 HB2 0.02 0.04 0.09 -0.04 1.87 1.98 3ho3A1 LYS 470 HB3 0.02 0.05 0.09 -0.04 1.79 1.91 3ho3A1 LYS 470 HG2 0.01 -0.01 -0.10 -0.04 1.46 1.32 3ho3A1 LYS 470 HG3 0.01 -0.01 0.00 -0.04 1.46 1.42 3ho3A1 LYS 470 HD2 -0.00 0.05 -0.02 -0.04 1.69 1.68 3ho3A1 LYS 470 HD3 0.00 0.00 -0.06 -0.04 1.68 1.59 3ho3A1 LYS 470 HE2 0.00 -0.03 -0.05 -0.04 2.99 2.87 3ho3A1 LYS 470 HE3 -0.01 0.02 -0.02 -0.04 2.99 2.94 3ho3A1 GLY 471 H 0.06 0.11 0.19 -0.55 8.43 8.24 3ho3A1 GLY 471 HA2 0.03 -0.01 0.29 -0.51 4.01 3.81 3ho3A1 GLY 471 HA3 0.01 0.05 0.28 -0.51 4.01 3.83 3ho3A1 LYS 472 H 0.00 0.27 -0.19 -0.55 8.42 7.95 3ho3A1 LYS 472 HA -0.09 0.15 1.00 -0.75 4.32 4.63 3ho3A1 LYS 472 HB2 -0.22 -0.01 -0.03 -0.04 1.87 1.58 3ho3A1 LYS 472 HB3 -0.13 0.06 -0.19 -0.04 1.79 1.49 3ho3A1 LYS 472 HG2 -0.30 0.09 0.03 -0.04 1.46 1.23 3ho3A1 LYS 472 HG3 -0.94 -0.02 -0.17 -0.04 1.46 0.29 3ho3A1 LYS 472 HD2 -0.26 -0.01 -0.06 -0.04 1.69 1.32 3ho3A1 LYS 472 HD3 -0.74 -0.03 -0.02 -0.04 1.68 0.85 3ho3A1 LYS 472 HE2 -0.89 -0.03 -0.19 -0.04 2.99 1.84 3ho3A1 LYS 472 HE3 -0.35 0.07 -0.20 -0.04 2.99 2.47 3ho3A1 ASP 473 H -0.08 0.16 0.08 -0.55 8.40 8.01 3ho3A1 ASP 473 HA 0.01 0.07 0.60 -0.75 4.63 4.55 3ho3A1 ASP 473 HB2 -0.03 -0.04 0.09 -0.04 2.71 2.70 3ho3A1 ASP 473 HB3 -0.03 -0.03 0.13 -0.04 2.70 2.72 3ho3A1 TYR 474 H 0.20 0.44 0.21 -0.55 8.29 8.59 3ho3A1 TYR 474 HA -0.01 -0.09 0.43 -0.75 4.56 4.13 3ho3A1 TYR 474 HB2 0.02 0.29 0.18 -0.04 3.06 3.51 3ho3A1 TYR 474 HB3 -0.09 0.08 -0.06 -0.04 2.98 2.87 3ho3A1 TYR 474 HD2 0.05 0.10 0.05 -0.04 7.15 7.30 3ho3A1 TYR 474 HE2 0.12 -0.05 0.07 -0.04 6.85 6.95 3ho3A1 GLU 475 H 0.02 0.08 0.23 -0.55 8.60 8.38 3ho3A1 GLU 475 HA 0.02 0.05 0.50 -0.75 4.29 4.10 3ho3A1 GLU 475 HB2 0.01 -0.02 0.04 -0.04 2.09 2.08 3ho3A1 GLU 475 HB3 0.00 -0.02 0.11 -0.04 1.99 2.04 3ho3A1 GLU 475 HG2 -0.01 -0.03 0.08 -0.04 2.34 2.34 3ho3A1 GLU 475 HG3 -0.03 0.12 0.19 -0.04 2.34 2.58 3ho3A1 SER 476 H 0.02 0.13 0.10 -0.55 8.46 8.16 3ho3A1 SER 476 HA -0.12 0.14 0.53 -0.75 4.49 4.29 3ho3A1 SER 476 HB2 -0.02 -0.04 0.15 -0.04 3.95 4.00 3ho3A1 SER 476 HB3 0.00 0.01 0.00 -0.04 3.93 3.90 3ho3A1 GLU 477 H -0.15 0.06 0.09 -0.55 8.60 8.05 3ho3A1 GLU 477 HA -0.46 0.21 0.48 -0.75 4.29 3.78 3ho3A1 GLU 477 HB2 -0.22 -0.15 0.05 -0.04 2.09 1.73 3ho3A1 GLU 477 HB3 -0.36 0.16 0.18 -0.04 1.99 1.93 3ho3A1 GLU 477 HG2 -0.20 0.27 -0.10 -0.04 2.34 2.27 3ho3A1 GLU 477 HG3 -0.07 -0.14 0.04 -0.04 2.34 2.12 3ho3A1 PRO 478 HA -0.05 0.02 0.70 -0.51 4.44 4.60 3ho3A1 PRO 478 HB2 -0.06 0.02 0.04 -0.04 2.28 2.24 3ho3A1 PRO 478 HB3 0.01 0.02 0.18 -0.04 2.02 2.19 3ho3A1 PRO 478 HG2 -0.43 -0.03 0.02 -0.04 2.03 1.55 3ho3A1 PRO 478 HG3 -0.60 0.01 0.05 -0.04 2.03 1.46 3ho3A1 PRO 478 HD2 -1.06 0.45 0.37 -0.04 3.68 3.40 3ho3A1 PRO 478 HD3 -1.05 0.12 0.24 -0.04 3.65 2.92 3ho3A1 SER 479 H -0.03 0.08 0.18 -0.55 8.46 8.14 3ho3A1 SER 479 HA -0.07 0.12 0.66 -0.75 4.49 4.45 3ho3A1 SER 479 HB2 -0.01 -0.04 0.15 -0.04 3.95 4.01 3ho3A1 SER 479 HB3 -0.00 0.01 -0.11 -0.04 3.93 3.78 3ho3A1 LEU 480 H -0.03 0.21 0.11 -0.55 8.37 8.11 3ho3A1 LEU 480 HA 0.01 0.13 0.51 -0.75 4.35 4.25 3ho3A1 LEU 480 HB2 -0.01 0.17 0.14 -0.04 1.64 1.91 3ho3A1 LEU 480 HB3 -0.00 -0.05 0.09 -0.04 1.64 1.64 3ho3A1 LEU 480 HG 0.01 -0.06 -0.27 -0.04 1.64 1.28 3ho3A1 LEU 480 HD13 0.02 0.01 -0.21 -0.04 0.93 0.71 3ho3A1 LEU 480 HD23 0.01 0.03 -0.35 -0.04 0.89 0.54 3ho3A1 LEU 481 H 0.03 0.49 0.26 -0.55 8.37 8.60 3ho3A1 LEU 481 HA 0.04 -0.04 0.29 -0.75 4.35 3.89 3ho3A1 LEU 481 HB2 0.03 0.10 0.18 -0.04 1.64 1.92 3ho3A1 LEU 481 HB3 0.07 -0.05 0.17 -0.04 1.64 1.79 3ho3A1 LEU 481 HG -0.00 -0.02 0.02 -0.04 1.64 1.60 3ho3A1 LEU 481 HD13 -0.02 -0.00 -0.15 -0.04 0.93 0.72 3ho3A1 LEU 481 HD23 0.01 -0.01 0.02 -0.04 0.89 0.87 3ho3A1 GLU 482 H 0.07 0.12 0.24 -0.55 8.60 8.49 3ho3A1 GLU 482 HA 0.03 0.32 1.02 -0.75 4.29 4.91 3ho3A1 GLU 482 HB2 -0.00 0.08 0.01 -0.04 2.09 2.14 3ho3A1 GLU 482 HB3 0.02 -0.07 0.14 -0.04 1.99 2.04 3ho3A1 GLU 482 HG2 -0.02 0.02 -0.29 -0.04 2.34 2.01 3ho3A1 GLU 482 HG3 -0.06 -0.01 -0.13 -0.04 2.34 2.10 3ho3A1 PHE 483 H -0.26 0.68 0.40 -0.55 8.34 8.61 3ho3A1 PHE 483 HA -0.06 0.12 0.57 -0.75 4.62 4.50 3ho3A1 PHE 483 HB2 -0.11 -0.06 0.08 -0.04 3.15 3.02 3ho3A1 PHE 483 HB3 -0.08 0.07 -0.04 -0.04 3.06 2.97 3ho3A1 PHE 483 HD2 -0.14 -0.02 -0.24 -0.04 7.28 6.84 3ho3A1 PHE 483 HE2 -0.17 -0.00 -0.14 -0.04 7.38 7.03 3ho3A1 PHE 483 HZ -0.18 -0.03 -0.14 -0.04 7.32 6.93 3ho3A1 LYS 484 H 0.04 0.18 0.06 -0.55 8.42 8.15 3ho3A1 LYS 484 HA -0.23 0.14 1.07 -0.75 4.32 4.55 3ho3A1 LYS 484 HB2 -0.03 -0.04 0.15 -0.04 1.87 1.91 3ho3A1 LYS 484 HB3 -0.04 0.10 0.13 -0.04 1.79 1.94 3ho3A1 LYS 484 HG2 -0.02 0.27 -0.02 -0.04 1.46 1.65 3ho3A1 LYS 484 HG3 -0.05 -0.09 -0.37 -0.04 1.46 0.92 3ho3A1 LYS 484 HD2 -0.00 -0.06 -0.05 -0.04 1.69 1.54 3ho3A1 LYS 484 HD3 -0.00 0.02 -0.04 -0.04 1.68 1.62 3ho3A1 LYS 484 HE2 0.01 0.11 -0.13 -0.04 2.99 2.93 3ho3A1 LYS 484 HE3 -0.00 -0.03 -0.14 -0.04 2.99 2.77 3ho3A1 PRO 485 HA -0.17 0.20 0.64 -0.51 4.44 4.60 3ho3A1 PRO 485 HB2 -0.38 -0.00 0.04 -0.04 2.28 1.89 3ho3A1 PRO 485 HB3 -0.10 0.04 0.01 -0.04 2.02 1.93 3ho3A1 PRO 485 HG2 -1.81 0.02 -0.11 -0.04 2.03 0.08 3ho3A1 PRO 485 HG3 -0.56 0.03 -0.07 -0.04 2.03 1.38 3ho3A1 PRO 485 HD2 -1.24 0.07 0.13 -0.04 3.68 2.60 3ho3A1 PRO 485 HD3 -0.78 0.14 -0.33 -0.04 3.65 2.64 3ho3A1 PHE 486 H -0.34 0.13 -0.28 -0.55 8.34 7.31 3ho3A1 PHE 486 HA -0.05 0.09 0.73 -0.75 4.62 4.63 3ho3A1 PHE 486 HB2 -0.09 0.09 -0.11 -0.04 3.15 3.00 3ho3A1 PHE 486 HB3 -0.07 0.06 -0.10 -0.04 3.06 2.90 3ho3A1 PHE 486 HD2 -0.15 0.08 -0.25 -0.04 7.28 6.92 3ho3A1 PHE 486 HE2 -0.37 -0.01 -0.27 -0.04 7.38 6.69 3ho3A1 PHE 486 HZ -0.75 -0.01 -0.18 -0.04 7.32 6.34 3ho3A1 SER 487 H 0.10 0.12 0.14 -0.55 8.46 8.27 3ho3A1 SER 487 HA 0.03 0.12 0.44 -0.75 4.49 4.33 3ho3A1 SER 487 HB2 0.04 -0.04 0.12 -0.04 3.95 4.03 3ho3A1 SER 487 HB3 0.03 -0.01 0.03 -0.04 3.93 3.93 3ho3A1 ASN 488 H 0.06 0.15 0.03 -0.55 8.53 8.22 3ho3A1 ASN 488 HA 0.02 0.15 0.58 -0.75 4.76 4.76 3ho3A1 ASN 488 HB2 0.01 -0.03 0.04 -0.04 2.88 2.86 3ho3A1 ASN 488 HB3 0.02 0.12 -0.09 -0.04 2.79 2.80 3ho3A1 ASN 488 HD21 0.02 -0.00 -0.07 -0.04 7.03 6.94 3ho3A1 ASN 488 HD22 0.02 0.06 -0.17 -0.04 7.74 7.61 3ho3A1 GLY 489 H -0.00 0.14 0.10 -0.55 8.43 8.12 3ho3A1 GLY 489 HA2 -0.02 0.02 0.40 -0.51 4.01 3.90 3ho3A1 GLY 489 HA3 -0.03 0.05 0.19 -0.51 4.01 3.72 3ho3A1 PRO 490 HA -0.11 0.09 0.67 -0.51 4.44 4.58 3ho3A1 PRO 490 HB2 -0.05 0.11 -0.01 -0.04 2.28 2.28 3ho3A1 PRO 490 HB3 -0.05 -0.01 0.11 -0.04 2.02 2.03 3ho3A1 PRO 490 HG2 -0.04 0.02 0.12 -0.04 2.03 2.10 3ho3A1 PRO 490 HG3 -0.03 0.04 0.12 -0.04 2.03 2.12 3ho3A1 PRO 490 HD2 -0.03 0.07 0.25 -0.04 3.68 3.93 3ho3A1 PRO 490 HD3 -0.03 0.10 0.24 -0.04 3.65 3.91 3ho3A1 LEU 491 H -0.15 0.12 0.09 -0.55 8.37 7.88 3ho3A1 LEU 491 HA -0.07 0.05 0.81 -0.75 4.35 4.39 3ho3A1 LEU 491 HB2 -0.20 -0.07 0.01 -0.04 1.64 1.34 3ho3A1 LEU 491 HB3 0.03 0.04 0.04 -0.04 1.64 1.70 3ho3A1 LEU 491 HG -0.07 -0.01 -0.35 -0.04 1.64 1.16 3ho3A1 LEU 491 HD13 -0.18 0.03 -0.33 -0.04 0.93 0.40 3ho3A1 LEU 491 HD23 -0.63 -0.01 -0.17 -0.04 0.89 0.04 3ho3A1 VAL 492 H 0.03 0.44 0.45 -0.55 8.24 8.60 3ho3A1 VAL 492 HA 0.02 0.07 0.62 -0.75 4.13 4.10 3ho3A1 VAL 492 HB 0.09 0.02 -0.02 -0.04 2.12 2.17 3ho3A1 VAL 492 HG13 -0.09 -0.03 -0.22 -0.04 0.97 0.59 3ho3A1 VAL 492 HG23 -0.04 -0.03 -0.18 -0.04 0.95 0.66 3ho3A1 GLY 493 H 0.24 0.34 0.20 -0.55 8.43 8.66 3ho3A1 GLY 493 HA2 0.19 -0.06 0.30 -0.51 4.01 3.93 3ho3A1 GLY 493 HA3 0.24 0.12 0.74 -0.51 4.01 4.60 3ho3A1 GLY 494 H -0.23 0.70 0.26 -0.55 8.43 8.61 3ho3A1 GLY 494 HA2 -1.02 0.31 0.97 -0.51 4.01 3.77 3ho3A1 GLY 494 HA3 -2.04 -0.09 0.25 -0.51 4.01 1.62 3ho3A1 PHE 495 H -0.97 0.53 0.31 -0.55 8.34 7.66 3ho3A1 PHE 495 HA -0.25 0.01 0.52 -0.75 4.62 4.14 3ho3A1 PHE 495 HB2 -0.15 0.03 0.08 -0.04 3.15 3.06 3ho3A1 PHE 495 HB3 -0.31 0.11 -0.07 -0.04 3.06 2.75 3ho3A1 PHE 495 HD2 -0.51 0.01 -0.41 -0.04 7.28 6.33 3ho3A1 PHE 495 HE2 -0.07 -0.02 -0.11 -0.04 7.38 7.13 3ho3A1 PHE 495 HZ -0.17 -0.01 -0.09 -0.04 7.32 7.01 3ho3A1 VAL 496 H -0.05 0.20 0.13 -0.55 8.24 7.97 3ho3A1 VAL 496 HA -0.35 0.27 0.92 -0.75 4.13 4.21 3ho3A1 VAL 496 HB -0.27 0.01 -0.05 -0.04 2.12 1.77 3ho3A1 VAL 496 HG13 -0.83 -0.01 -0.23 -0.04 0.97 -0.13 3ho3A1 VAL 496 HG23 -0.40 -0.03 -0.29 -0.04 0.95 0.19 3ho3A1 TYR 497 H -0.01 0.56 0.13 -0.55 8.29 8.42 3ho3A1 TYR 497 HA 0.04 0.10 0.71 -0.75 4.56 4.65 3ho3A1 TYR 497 HB2 0.21 0.02 0.05 -0.04 3.06 3.29 3ho3A1 TYR 497 HB3 -0.05 0.14 0.12 -0.04 2.98 3.15 3ho3A1 TYR 497 HD2 -0.02 0.03 -0.22 -0.04 7.15 6.90 3ho3A1 TYR 497 HE2 0.05 0.18 -0.02 -0.04 6.85 7.01 3ho3A1 ARG 498 H -0.43 0.26 0.19 -0.55 8.46 7.92 3ho3A1 ARG 498 HA -0.81 0.16 0.84 -0.75 4.34 3.78 3ho3A1 ARG 498 HB2 -0.20 0.02 0.12 -0.04 1.90 1.79 3ho3A1 ARG 498 HB3 -0.22 0.04 0.21 -0.04 1.80 1.78 3ho3A1 ARG 498 HG2 -0.42 0.02 -0.53 -0.04 1.67 0.70 3ho3A1 ARG 498 HG3 -0.17 -0.07 -0.10 -0.04 1.67 1.30 3ho3A1 ARG 498 HD2 -0.10 -0.06 -0.01 -0.04 3.22 3.01 3ho3A1 ARG 498 HD3 -0.42 0.05 0.04 -0.04 3.22 2.84 3ho3A1 GLY 499 H -1.98 -0.01 -0.10 -0.55 8.43 5.79 3ho3A1 GLY 499 HA2 -0.24 0.21 0.58 -0.51 4.01 4.05 3ho3A1 GLY 499 HA3 -0.51 -0.08 0.16 -0.51 4.01 3.07 3ho3A1 CYS 500 H 0.01 0.06 0.14 -0.55 8.50 8.16 3ho3A1 CYS 500 HA 0.04 0.23 0.58 -0.75 4.58 4.68 3ho3A1 CYS 500 HB2 -0.01 0.11 0.05 -0.04 2.97 3.08 3ho3A1 CYS 500 HB3 0.01 -0.04 0.11 -0.04 2.97 3.01 3ho3A1 GLN 501 H 0.15 -0.04 0.04 -0.55 8.47 8.07 3ho3A1 GLN 501 HA 0.06 0.12 0.30 -0.75 4.36 4.09 3ho3A1 GLN 501 HB2 0.07 -0.05 0.15 -0.04 2.15 2.28 3ho3A1 GLN 501 HB3 0.11 -0.09 0.08 -0.04 2.02 2.08 3ho3A1 GLN 501 HG2 0.03 0.16 0.10 -0.04 2.40 2.65 3ho3A1 GLN 501 HG3 0.02 0.08 0.14 -0.04 2.39 2.58 3ho3A1 GLN 501 HE21 0.01 0.30 -0.00 -0.04 6.97 7.24 3ho3A1 GLN 501 HE22 0.01 0.58 -0.22 -0.04 7.69 8.02 3ho3A1 SER 502 H 0.36 0.07 -0.29 -0.55 8.46 8.05 3ho3A1 SER 502 HA 0.10 0.18 0.94 -0.75 4.49 4.95 3ho3A1 SER 502 HB2 0.03 0.01 -0.05 -0.04 3.95 3.89 3ho3A1 SER 502 HB3 -0.24 0.02 -0.02 -0.04 3.93 3.65 3ho3A1 GLU 503 H 0.08 0.15 0.10 -0.55 8.60 8.38 3ho3A1 GLU 503 HA 0.10 0.24 0.66 -0.75 4.29 4.53 3ho3A1 GLU 503 HB2 0.04 -0.07 0.16 -0.04 2.09 2.17 3ho3A1 GLU 503 HB3 0.03 0.04 0.00 -0.04 1.99 2.02 3ho3A1 GLU 503 HG2 0.00 0.07 -0.00 -0.04 2.34 2.37 3ho3A1 GLU 503 HG3 0.02 0.03 -0.02 -0.04 2.34 2.34 3ho3A1 ARG 504 H 0.09 0.04 0.05 -0.55 8.46 8.09 3ho3A1 ARG 504 HA 0.10 0.16 0.23 -0.75 4.34 4.07 3ho3A1 ARG 504 HB2 0.08 0.07 0.05 -0.04 1.90 2.06 3ho3A1 ARG 504 HB3 0.05 -0.01 0.08 -0.04 1.80 1.87 3ho3A1 ARG 504 HG2 0.09 -0.16 0.04 -0.04 1.67 1.60 3ho3A1 ARG 504 HG3 0.21 0.07 -0.18 -0.04 1.67 1.73 3ho3A1 ARG 504 HD2 -0.01 0.05 -0.03 -0.04 3.22 3.19 3ho3A1 ARG 504 HD3 -0.04 -0.01 0.00 -0.04 3.22 3.13 3ho3A1 LEU 505 H 0.15 -0.06 -0.45 -0.55 8.37 7.46 3ho3A1 LEU 505 HA 0.06 0.16 0.50 -0.75 4.35 4.31 3ho3A1 LEU 505 HB2 -0.09 -0.12 -0.03 -0.04 1.64 1.36 3ho3A1 LEU 505 HB3 -0.56 0.01 -0.16 -0.04 1.64 0.89 3ho3A1 LEU 505 HG -0.78 0.01 -0.06 -0.04 1.64 0.77 3ho3A1 LEU 505 HD13 -0.81 -0.02 -0.08 -0.04 0.93 -0.01 3ho3A1 LEU 505 HD23 -0.21 0.02 0.03 -0.04 0.89 0.69 3ho3A1 TYR 506 H 0.34 0.21 -0.43 -0.55 8.29 7.86 3ho3A1 TYR 506 HA 0.36 0.01 0.33 -0.75 4.56 4.51 3ho3A1 TYR 506 HB2 0.17 0.13 0.15 -0.04 3.06 3.47 3ho3A1 TYR 506 HB3 0.09 0.06 0.14 -0.04 2.98 3.23 3ho3A1 TYR 506 HD2 -0.02 0.09 -0.15 -0.04 7.15 7.02 3ho3A1 TYR 506 HE2 -0.09 0.04 -0.06 -0.04 6.85 6.69 3ho3A1 GLY 507 H -0.30 0.67 0.35 -0.55 8.43 8.61 3ho3A1 GLY 507 HA2 -0.26 -0.07 0.33 -0.51 4.01 3.51 3ho3A1 GLY 507 HA3 -0.00 0.15 0.72 -0.51 4.01 4.36 3ho3A1 SER 508 H 0.02 0.60 -0.02 -0.55 8.46 8.52 3ho3A1 SER 508 HA 0.09 0.07 0.41 -0.75 4.49 4.31 3ho3A1 SER 508 HB2 -0.04 -0.03 0.15 -0.04 3.95 3.99 3ho3A1 SER 508 HB3 0.01 -0.03 0.00 -0.04 3.93 3.88 3ho3A1 TYR 509 H 0.32 0.21 0.26 -0.55 8.29 8.52 3ho3A1 TYR 509 HA -0.13 0.10 0.73 -0.75 4.56 4.51 3ho3A1 TYR 509 HB2 0.12 -0.07 0.22 -0.04 3.06 3.29 3ho3A1 TYR 509 HB3 0.27 -0.03 -0.05 -0.04 2.98 3.14 3ho3A1 TYR 509 HD2 0.09 0.04 -0.00 -0.04 7.15 7.23 3ho3A1 TYR 509 HE2 0.05 0.01 -0.08 -0.04 6.85 6.79 3ho3A1 VAL 510 H -0.65 0.87 0.42 -0.55 8.24 8.32 3ho3A1 VAL 510 HA -0.13 0.35 0.93 -0.75 4.13 4.53 3ho3A1 VAL 510 HB -2.11 -0.07 0.17 -0.04 2.12 0.07 3ho3A1 VAL 510 HG13 -0.10 0.03 -0.09 -0.04 0.97 0.76 3ho3A1 VAL 510 HG23 -0.33 0.05 -0.08 -0.04 0.95 0.56 3ho3A1 PHE 511 H 0.17 0.27 0.17 -0.55 8.34 8.41 3ho3A1 PHE 511 HA -0.18 0.31 1.14 -0.75 4.62 5.13 3ho3A1 PHE 511 HB2 0.01 -0.05 -0.03 -0.04 3.15 3.04 3ho3A1 PHE 511 HB3 -0.12 0.01 -0.08 -0.04 3.06 2.83 3ho3A1 PHE 511 HD2 -0.04 0.04 -0.37 -0.04 7.28 6.88 3ho3A1 PHE 511 HE2 0.07 -0.06 -0.20 -0.04 7.38 7.15 3ho3A1 PHE 511 HZ 0.08 0.08 -0.25 -0.04 7.32 7.18 3ho3A1 GLY 512 H 0.08 0.57 0.38 -0.55 8.43 8.91 3ho3A1 GLY 512 HA2 -0.37 0.34 1.00 -0.51 4.01 4.47 3ho3A1 GLY 512 HA3 -0.45 0.05 0.25 -0.51 4.01 3.35 3ho3A1 ASP 513 H -0.26 0.31 0.25 -0.55 8.40 8.15 3ho3A1 ASP 513 HA -0.05 0.03 1.05 -0.75 4.63 4.90 3ho3A1 ASP 513 HB2 -0.04 0.02 0.27 -0.04 2.71 2.92 3ho3A1 ASP 513 HB3 -0.07 0.12 0.04 -0.04 2.70 2.75 3ho3A1 ARG 514 H -0.02 0.23 0.23 -0.55 8.46 8.35 3ho3A1 ARG 514 HA 0.03 0.27 0.50 -0.75 4.34 4.38 3ho3A1 ARG 514 HB2 -0.04 -0.00 0.23 -0.04 1.90 2.05 3ho3A1 ARG 514 HB3 -0.03 0.00 0.07 -0.04 1.80 1.81 3ho3A1 ARG 514 HG2 -0.03 -0.01 0.06 -0.04 1.67 1.65 3ho3A1 ARG 514 HG3 -0.02 0.13 0.11 -0.04 1.67 1.85 3ho3A1 ARG 514 HD2 -0.07 0.04 0.05 -0.04 3.22 3.19 3ho3A1 ARG 514 HD3 -0.10 -0.05 0.06 -0.04 3.22 3.09 3ho3A1 ASN 515 H 0.04 0.01 -0.02 -0.55 8.53 8.02 3ho3A1 ASN 515 HA 0.17 0.18 0.34 -0.75 4.76 4.70 3ho3A1 ASN 515 HB2 0.04 -0.03 0.10 -0.04 2.88 2.96 3ho3A1 ASN 515 HB3 0.05 -0.05 0.01 -0.04 2.79 2.76 3ho3A1 ASN 515 HD21 0.01 0.01 -0.01 -0.04 7.03 7.00 3ho3A1 ASN 515 HD22 0.03 -0.03 -0.05 -0.04 7.74 7.65 3ho3A1 GLY 516 H 0.06 -0.11 -0.25 -0.55 8.43 7.59 3ho3A1 GLY 516 HA2 0.21 0.08 0.16 -0.51 4.01 3.94 3ho3A1 GLY 516 HA3 0.62 0.25 0.85 -0.51 4.01 5.22 3ho3A1 ASN 517 H -0.03 -0.13 0.10 -0.55 8.53 7.92 3ho3A1 ASN 517 HA 0.17 0.21 0.84 -0.75 4.76 5.22 3ho3A1 ASN 517 HB2 -0.00 -0.06 0.09 -0.04 2.88 2.87 3ho3A1 ASN 517 HB3 0.06 0.08 0.03 -0.04 2.79 2.91 3ho3A1 ASN 517 HD21 0.04 0.01 -0.06 -0.04 7.03 6.98 3ho3A1 ASN 517 HD22 0.05 0.04 -0.03 -0.04 7.74 7.77 3ho3A1 PHE 518 H 0.30 0.21 0.23 -0.55 8.34 8.53 3ho3A1 PHE 518 HA 0.09 0.33 1.08 -0.75 4.62 5.37 3ho3A1 PHE 518 HB2 0.06 0.10 0.12 -0.04 3.15 3.39 3ho3A1 PHE 518 HB3 0.03 0.07 0.04 -0.04 3.06 3.16 3ho3A1 PHE 518 HD2 0.08 0.09 -0.21 -0.04 7.28 7.20 3ho3A1 PHE 518 HE2 0.25 0.04 -0.15 -0.04 7.38 7.47 3ho3A1 PHE 518 HZ 0.05 -0.01 -0.14 -0.04 7.32 7.17 3ho3A1 LEU 519 H 0.20 0.54 0.38 -0.55 8.37 8.95 3ho3A1 LEU 519 HA 0.13 0.18 0.74 -0.75 4.35 4.65 3ho3A1 LEU 519 HB2 0.20 -0.07 -0.06 -0.04 1.64 1.67 3ho3A1 LEU 519 HB3 0.14 -0.06 -0.00 -0.04 1.64 1.67 3ho3A1 LEU 519 HG 0.09 0.08 -0.23 -0.04 1.64 1.54 3ho3A1 LEU 519 HD13 0.17 -0.01 -0.16 -0.04 0.93 0.90 3ho3A1 LEU 519 HD23 0.09 0.04 -0.32 -0.04 0.89 0.65 3ho3A1 THR 520 H 0.10 0.02 0.22 -0.55 8.28 8.08 3ho3A1 THR 520 HA 0.11 0.32 0.71 -0.75 4.39 4.78 3ho3A1 THR 520 HB 0.07 0.12 0.07 -0.04 4.32 4.54 3ho3A1 THR 520 HG23 0.07 -0.03 -0.10 -0.04 1.22 1.11 3ho3A1 LEU 521 H 0.16 0.30 0.18 -0.55 8.37 8.47 3ho3A1 LEU 521 HA 0.04 0.41 0.85 -0.75 4.35 4.90 3ho3A1 LEU 521 HB2 0.09 -0.05 0.14 -0.04 1.64 1.78 3ho3A1 LEU 521 HB3 -0.01 0.02 0.06 -0.04 1.64 1.67 3ho3A1 LEU 521 HG -0.02 -0.03 -0.08 -0.04 1.64 1.47 3ho3A1 LEU 521 HD13 -0.07 0.02 -0.16 -0.04 0.93 0.68 3ho3A1 LEU 521 HD23 0.16 -0.03 -0.19 -0.04 0.89 0.79 3ho3A1 GLN 531 HA -0.01 -0.02 0.38 -0.75 4.36 3.95 3ho3A1 GLN 531 HB2 -0.04 -0.03 -0.00 -0.04 2.15 2.04 3ho3A1 GLN 531 HB3 -0.02 -0.10 -2.08 -0.04 2.02 -0.23 3ho3A1 GLN 531 HG2 -0.05 0.01 0.03 -0.04 2.40 2.35 3ho3A1 GLN 531 HG3 -0.08 -0.02 -0.10 -0.04 2.39 2.15 3ho3A1 GLN 531 HE21 -0.02 0.01 0.03 -0.04 6.97 6.94 3ho3A1 GLN 531 HE22 -0.03 -0.00 0.02 -0.04 7.69 7.64 3ho3A1 GLU 532 H -0.03 0.23 0.16 -0.55 8.60 8.42 3ho3A1 GLU 532 HA 0.04 0.10 0.52 -0.75 4.29 4.20 3ho3A1 GLU 532 HB2 0.09 -0.10 -0.02 -0.04 2.09 2.02 3ho3A1 GLU 532 HB3 0.00 -0.00 0.04 -0.04 1.99 1.99 3ho3A1 GLU 532 HG2 -0.00 0.15 0.21 -0.04 2.34 2.66 3ho3A1 GLU 532 HG3 0.04 -0.03 0.07 -0.04 2.34 2.37 3ho3A1 LYS 533 H 0.07 0.27 0.32 -0.55 8.42 8.53 3ho3A1 LYS 533 HA 0.05 0.16 0.90 -0.75 4.32 4.67 3ho3A1 LYS 533 HB2 0.06 0.01 0.14 -0.04 1.87 2.04 3ho3A1 LYS 533 HB3 0.06 0.01 0.02 -0.04 1.79 1.83 3ho3A1 LYS 533 HG2 0.04 -0.05 -0.07 -0.04 1.46 1.33 3ho3A1 LYS 533 HG3 0.03 0.05 -0.61 -0.04 1.46 0.89 3ho3A1 LYS 533 HD2 0.05 0.04 -0.08 -0.04 1.69 1.67 3ho3A1 LYS 533 HD3 0.05 -0.06 -0.04 -0.04 1.68 1.59 3ho3A1 LYS 533 HE2 0.03 -0.06 -0.05 -0.04 2.99 2.87 3ho3A1 LYS 533 HE3 0.02 0.08 -0.11 -0.04 2.99 2.94 3ho3A1 PRO 534 HA 0.11 0.30 0.50 -0.51 4.44 4.84 3ho3A1 PRO 534 HB2 0.08 -0.03 -0.07 -0.04 2.28 2.22 3ho3A1 PRO 534 HB3 0.07 0.01 0.09 -0.04 2.02 2.15 3ho3A1 PRO 534 HG2 0.04 0.00 0.05 -0.04 2.03 2.09 3ho3A1 PRO 534 HG3 0.04 0.02 0.06 -0.04 2.03 2.10 3ho3A1 PRO 534 HD2 0.04 0.11 0.23 -0.04 3.68 4.03 3ho3A1 PRO 534 HD3 0.05 0.15 0.12 -0.04 3.65 3.93 3ho3A1 LEU 535 H 0.16 0.45 0.09 -0.55 8.37 8.52 3ho3A1 LEU 535 HA 0.13 0.17 0.88 -0.75 4.35 4.78 3ho3A1 LEU 535 HB2 0.15 -0.08 -0.04 -0.04 1.64 1.63 3ho3A1 LEU 535 HB3 0.04 0.00 -0.04 -0.04 1.64 1.60 3ho3A1 LEU 535 HG 0.04 0.10 -0.25 -0.04 1.64 1.49 3ho3A1 LEU 535 HD13 -0.21 -0.02 -0.08 -0.04 0.93 0.58 3ho3A1 LEU 535 HD23 0.14 0.01 0.00 -0.04 0.89 1.00 3ho3A1 CYS 536 H 0.12 0.19 0.01 -0.55 8.50 8.26 3ho3A1 CYS 536 HA 0.11 0.09 0.60 -0.75 4.58 4.62 3ho3A1 CYS 536 HB2 0.07 -0.03 0.02 -0.04 2.97 2.99 3ho3A1 CYS 536 HB3 0.07 0.03 0.04 -0.04 2.97 3.06 3ho3A1 LEU 537 H 0.09 0.15 0.04 -0.55 8.37 8.10 3ho3A1 LEU 537 HA 0.07 0.19 0.83 -0.75 4.35 4.68 3ho3A1 LEU 537 HB2 0.06 0.02 0.27 -0.04 1.64 1.95 3ho3A1 LEU 537 HB3 0.01 0.03 0.05 -0.04 1.64 1.69 3ho3A1 LEU 537 HG 0.03 0.02 -0.68 -0.04 1.64 0.98 3ho3A1 LEU 537 HD13 0.17 0.01 0.06 -0.04 0.93 1.14 3ho3A1 LEU 537 HD23 -0.20 -0.02 -0.17 -0.04 0.89 0.45 3ho3A1 GLY 538 H 0.04 0.05 -0.09 -0.55 8.43 7.89 3ho3A1 GLY 538 HA2 0.04 -0.08 0.29 -0.51 4.01 3.75 3ho3A1 GLY 538 HA3 0.02 0.02 0.32 -0.51 4.01 3.87 3ho3A1 THR 539 H 0.05 0.04 0.15 -0.55 8.28 7.97 3ho3A1 THR 539 HA -0.03 0.30 0.38 -0.75 4.39 4.29 3ho3A1 THR 539 HB 0.09 -0.09 0.13 -0.04 4.32 4.42 3ho3A1 THR 539 HG23 0.12 -0.01 -0.04 -0.04 1.22 1.24 3ho3A1 SER 540 H 0.01 0.01 -1.11 -0.55 8.46 6.82 3ho3A1 SER 540 HA 0.02 -0.07 0.22 -0.75 4.49 3.91 3ho3A1 SER 540 HB2 0.00 -0.04 -0.03 -0.04 3.95 3.84 3ho3A1 SER 540 HB3 0.01 -0.03 0.02 -0.04 3.93 3.88 3ho3A1 GLY 541 H 0.01 0.06 0.11 -0.55 8.43 8.07 3ho3A1 GLY 541 HA2 0.01 -0.01 0.38 -0.51 4.01 3.88 3ho3A1 GLY 541 HA3 0.00 -0.03 0.44 -0.51 4.01 3.90 3ho3A1 SER 542 H -0.00 -0.02 0.35 -0.55 8.46 8.24 3ho3A1 SER 542 HA 0.01 0.17 0.78 -0.75 4.49 4.70 3ho3A1 SER 542 HB2 0.00 -0.02 0.11 -0.04 3.95 4.00 3ho3A1 SER 542 HB3 0.01 -0.02 -0.06 -0.04 3.93 3.81 3ho3A1 CYS 543 H -0.01 0.05 0.19 -0.55 8.50 8.18 3ho3A1 CYS 543 HA -0.03 -0.02 0.58 -0.75 4.58 4.36 3ho3A1 CYS 543 HB2 -0.02 -0.13 0.16 -0.04 2.97 2.93 3ho3A1 CYS 543 HB3 -0.03 0.14 0.19 -0.04 2.97 3.23 3ho3A1 ARG 544 H -0.08 0.17 0.25 -0.55 8.46 8.25 3ho3A1 ARG 544 HA -0.17 0.02 0.25 -0.75 4.34 3.69 3ho3A1 ARG 544 HB2 -0.23 0.08 0.16 -0.04 1.90 1.87 3ho3A1 ARG 544 HB3 -0.79 -0.23 0.23 -0.04 1.80 0.96 3ho3A1 ARG 544 HG2 -0.24 -0.04 0.04 -0.04 1.67 1.39 3ho3A1 ARG 544 HG3 -0.10 0.30 0.11 -0.04 1.67 1.94 3ho3A1 ARG 544 HD2 -0.07 -0.01 0.10 -0.04 3.22 3.20 3ho3A1 ARG 544 HD3 -0.33 -0.03 0.07 -0.04 3.22 2.89 3ho3A1 GLY 545 H -0.43 -0.16 0.27 -0.55 8.43 7.57 3ho3A1 GLY 545 HA2 -0.06 -0.03 0.59 -0.51 4.01 4.00 3ho3A1 GLY 545 HA3 -0.01 0.48 0.43 -0.51 4.01 4.40 3ho3A1 TYR 546 H -0.62 -0.10 0.24 -0.55 8.29 7.26 3ho3A1 TYR 546 HA -0.04 0.23 0.95 -0.75 4.56 4.95 3ho3A1 TYR 546 HB2 -0.10 0.09 0.06 -0.04 3.06 3.07 3ho3A1 TYR 546 HB3 -0.05 0.01 0.07 -0.04 2.98 2.97 3ho3A1 TYR 546 HD2 0.00 0.02 -0.08 -0.04 7.15 7.05 3ho3A1 TYR 546 HE2 0.02 0.03 0.01 -0.04 6.85 6.87 3ho3A1 PHE 547 H -0.37 0.27 0.17 -0.55 8.34 7.85 3ho3A1 PHE 547 HA -0.06 0.13 0.74 -0.75 4.62 4.68 3ho3A1 PHE 547 HB2 -0.27 -0.05 -0.02 -0.04 3.15 2.77 3ho3A1 PHE 547 HB3 -0.68 0.01 -0.25 -0.04 3.06 2.10 3ho3A1 PHE 547 HD2 -0.03 0.11 -0.35 -0.04 7.28 6.98 3ho3A1 PHE 547 HE2 0.10 0.03 -0.12 -0.04 7.38 7.35 3ho3A1 PHE 547 HZ 0.08 -0.02 -0.44 -0.04 7.32 6.91 3ho3A1 SER 548 H 0.38 0.10 0.04 -0.55 8.46 8.44 3ho3A1 SER 548 HA 0.03 0.13 0.78 -0.75 4.49 4.67 3ho3A1 SER 548 HB2 0.08 0.00 -0.03 -0.04 3.95 3.96 3ho3A1 SER 548 HB3 0.13 -0.00 -0.01 -0.04 3.93 4.01 3ho3A1 GLY 549 H -0.04 0.06 0.14 -0.55 8.43 8.04 3ho3A1 GLY 549 HA2 -0.24 -0.02 0.37 -0.51 4.01 3.62 3ho3A1 GLY 549 HA3 -0.11 0.21 0.33 -0.51 4.01 3.93 3ho3A1 HIS 550 H -0.38 0.32 0.31 -0.55 8.41 8.11 3ho3A1 HIS 550 HA 0.36 0.28 0.97 -0.75 4.63 5.48 3ho3A1 HIS 550 HB2 0.07 0.04 0.04 -0.04 3.26 3.37 3ho3A1 HIS 550 HB3 0.10 -0.03 -0.04 -0.04 3.20 3.19 3ho3A1 HIS 550 HD2 0.04 0.02 0.04 -0.04 6.97 7.03 3ho3A1 HIS 550 HE1 0.03 -0.04 0.02 -0.04 7.75 7.71 3ho3A1 ILE 551 H 0.20 0.61 0.31 -0.55 8.25 8.82 3ho3A1 ILE 551 HA -0.08 0.07 0.62 -0.75 4.18 4.03 3ho3A1 ILE 551 HB -0.07 0.10 0.15 -0.04 1.89 2.03 3ho3A1 ILE 551 HG12 -0.40 -0.03 -0.13 -0.04 1.49 0.88 3ho3A1 ILE 551 HG13 -0.47 0.01 -0.11 -0.04 1.21 0.61 3ho3A1 ILE 551 HG23 -0.30 -0.01 -0.14 -0.04 0.93 0.44 3ho3A1 ILE 551 HD13 -0.07 -0.02 -0.10 -0.04 0.88 0.65 3ho3A1 LEU 552 H -0.10 0.64 0.54 -0.55 8.37 8.90 3ho3A1 LEU 552 HA -0.04 0.11 0.92 -0.75 4.35 4.59 3ho3A1 LEU 552 HB2 -0.03 0.11 0.09 -0.04 1.64 1.76 3ho3A1 LEU 552 HB3 -0.01 -0.01 0.05 -0.04 1.64 1.63 3ho3A1 LEU 552 HG 0.05 0.08 0.02 -0.04 1.64 1.75 3ho3A1 LEU 552 HD13 0.03 -0.03 -0.04 -0.04 0.93 0.85 3ho3A1 LEU 552 HD23 0.06 0.00 -0.03 -0.04 0.89 0.89 3ho3A1 GLY 553 H -0.24 0.28 0.31 -0.55 8.43 8.23 3ho3A1 GLY 553 HA2 -0.37 0.07 0.49 -0.51 4.01 3.69 3ho3A1 GLY 553 HA3 -0.14 0.37 0.39 -0.51 4.01 4.12 3ho3A1 PHE 554 H 0.05 0.27 0.27 -0.55 8.34 8.38 3ho3A1 PHE 554 HA 0.02 0.20 0.99 -0.75 4.62 5.07 3ho3A1 PHE 554 HB2 0.04 0.01 0.02 -0.04 3.15 3.19 3ho3A1 PHE 554 HB3 -0.06 0.03 0.16 -0.04 3.06 3.15 3ho3A1 PHE 554 HD2 0.10 0.06 -0.05 -0.04 7.28 7.34 3ho3A1 PHE 554 HE2 0.20 -0.06 -0.26 -0.04 7.38 7.22 3ho3A1 PHE 554 HZ 0.01 -0.05 -0.10 -0.04 7.32 7.15 3ho3A1 GLY 555 H 0.12 0.49 0.36 -0.55 8.43 8.86 3ho3A1 GLY 555 HA2 0.07 0.40 1.00 -0.51 4.01 4.97 3ho3A1 GLY 555 HA3 0.07 -0.07 0.20 -0.51 4.01 3.70 3ho3A1 GLU 556 H 0.07 0.40 0.17 -0.55 8.60 8.70 3ho3A1 GLU 556 HA 0.14 0.27 1.02 -0.75 4.29 4.97 3ho3A1 GLU 556 HB2 0.06 -0.01 -0.08 -0.04 2.09 2.02 3ho3A1 GLU 556 HB3 0.15 -0.05 0.13 -0.04 1.99 2.18 3ho3A1 GLU 556 HG2 0.05 0.14 0.02 -0.04 2.34 2.50 3ho3A1 GLU 556 HG3 0.01 0.02 -0.00 -0.04 2.34 2.32 3ho3A1 ASP 557 H 0.16 0.81 0.24 -0.55 8.40 9.06 3ho3A1 ASP 557 HA 0.03 0.15 0.61 -0.75 4.63 4.68 3ho3A1 ASP 557 HB2 0.10 0.06 0.25 -0.04 2.71 3.09 3ho3A1 ASP 557 HB3 -0.02 -0.58 0.14 -0.04 2.70 2.20 3ho3A1 GLU 558 H -0.15 0.22 0.15 -0.55 8.60 8.28 3ho3A1 GLU 558 HA -1.42 0.18 0.73 -0.75 4.29 3.02 3ho3A1 GLU 558 HB2 -0.17 -0.05 0.18 -0.04 2.09 2.00 3ho3A1 GLU 558 HB3 -0.13 0.03 0.07 -0.04 1.99 1.92 3ho3A1 GLU 558 HG2 -0.08 0.09 -0.04 -0.04 2.34 2.27 3ho3A1 GLU 558 HG3 -0.18 0.07 0.18 -0.04 2.34 2.36 3ho3A1 LEU 559 H -0.10 -0.07 -0.13 -0.55 8.37 7.51 3ho3A1 LEU 559 HA -0.07 0.30 0.74 -0.75 4.35 4.56 3ho3A1 LEU 559 HB2 -0.02 -0.13 0.07 -0.04 1.64 1.52 3ho3A1 LEU 559 HB3 -0.02 0.11 0.16 -0.04 1.64 1.85 3ho3A1 LEU 559 HG -0.04 -0.15 -0.02 -0.04 1.64 1.39 3ho3A1 LEU 559 HD13 -0.00 0.02 0.03 -0.04 0.93 0.94 3ho3A1 LEU 559 HD23 -0.03 0.08 -0.04 -0.04 0.89 0.86 3ho3A1 GLY 560 H -0.10 0.08 -0.36 -0.55 8.43 7.50 3ho3A1 GLY 560 HA2 -0.09 0.13 0.21 -0.51 4.01 3.75 3ho3A1 GLY 560 HA3 -0.13 0.25 0.52 -0.51 4.01 4.14 3ho3A1 GLU 561 H -0.00 -0.06 -0.12 -0.55 8.60 7.88 3ho3A1 GLU 561 HA 0.11 0.08 0.61 -0.75 4.29 4.33 3ho3A1 GLU 561 HB2 0.03 -0.10 0.11 -0.04 2.09 2.09 3ho3A1 GLU 561 HB3 -0.13 0.12 0.00 -0.04 1.99 1.94 3ho3A1 GLU 561 HG2 0.01 0.08 0.06 -0.04 2.34 2.45 3ho3A1 GLU 561 HG3 -0.00 0.16 0.12 -0.04 2.34 2.57 3ho3A1 VAL 562 H -0.07 0.16 0.26 -0.55 8.24 8.05 3ho3A1 VAL 562 HA -0.03 0.33 1.05 -0.75 4.13 4.73 3ho3A1 VAL 562 HB -0.21 -0.07 0.11 -0.04 2.12 1.91 3ho3A1 VAL 562 HG13 -1.41 0.04 -0.03 -0.04 0.97 -0.48 3ho3A1 VAL 562 HG23 -0.10 0.03 -0.06 -0.04 0.95 0.77 3ho3A1 TYR 563 H 0.05 0.63 0.36 -0.55 8.29 8.78 3ho3A1 TYR 563 HA -0.04 0.22 1.07 -0.75 4.56 5.05 3ho3A1 TYR 563 HB2 -0.02 -0.13 -0.14 -0.04 3.06 2.74 3ho3A1 TYR 563 HB3 -0.01 0.09 -0.13 -0.04 2.98 2.89 3ho3A1 TYR 563 HD2 -0.03 0.04 -0.47 -0.04 7.15 6.65 3ho3A1 TYR 563 HE2 -0.03 -0.02 -0.23 -0.04 6.85 6.52 3ho3A1 ILE 564 H 0.13 0.78 0.33 -0.55 8.25 8.94 3ho3A1 ILE 564 HA 0.10 0.22 0.93 -0.75 4.18 4.68 3ho3A1 ILE 564 HB 0.01 0.06 0.04 -0.04 1.89 1.96 3ho3A1 ILE 564 HG12 0.03 0.03 -0.04 -0.04 1.49 1.47 3ho3A1 ILE 564 HG13 0.04 -0.09 -0.12 -0.04 1.21 1.00 3ho3A1 ILE 564 HG23 0.33 -0.00 -0.18 -0.04 0.93 1.03 3ho3A1 ILE 564 HD13 -0.23 0.01 -0.16 -0.04 0.88 0.46 3ho3A1 LEU 565 H -0.11 0.73 0.24 -0.55 8.37 8.68 3ho3A1 LEU 565 HA 0.03 0.21 0.98 -0.75 4.35 4.82 3ho3A1 LEU 565 HB2 -0.06 -0.02 -0.15 -0.04 1.64 1.37 3ho3A1 LEU 565 HB3 -0.01 0.05 -0.09 -0.04 1.64 1.54 3ho3A1 LEU 565 HG 0.01 0.02 -0.30 -0.04 1.64 1.33 3ho3A1 LEU 565 HD13 0.01 -0.04 -0.64 -0.04 0.93 0.23 3ho3A1 LEU 565 HD23 -0.01 -0.02 -0.37 -0.04 0.89 0.45 3ho3A1 SER 566 H 0.06 0.46 0.25 -0.55 8.46 8.67 3ho3A1 SER 566 HA 0.02 0.11 0.89 -0.75 4.49 4.76 3ho3A1 SER 566 HB2 0.12 0.26 -0.29 -0.04 3.95 3.99 3ho3A1 SER 566 HB3 -0.13 -0.07 -0.40 -0.04 3.93 3.29 3ho3A1 SER 567 H 0.05 0.36 0.31 -0.55 8.46 8.63 3ho3A1 SER 567 HA 0.06 0.09 1.04 -0.75 4.49 4.92 3ho3A1 SER 567 HB2 0.04 -0.10 0.11 -0.04 3.95 3.96 3ho3A1 SER 567 HB3 0.04 0.02 0.09 -0.04 3.93 4.04 3ho3A1 SER 568 H 0.03 0.32 0.23 -0.55 8.46 8.49 3ho3A1 SER 568 HA -0.08 0.04 0.64 -0.75 4.49 4.33 3ho3A1 SER 568 HB2 0.02 0.08 0.14 -0.04 3.95 4.14 3ho3A1 SER 568 HB3 -0.01 0.01 0.01 -0.04 3.93 3.90 3ho3A1 LYS 569 H 0.02 0.20 0.09 -0.55 8.42 8.18 3ho3A1 LYS 569 HA 0.03 0.10 0.30 -0.75 4.32 4.00 3ho3A1 LYS 569 HB2 0.06 0.26 0.45 -0.04 1.87 2.60 3ho3A1 LYS 569 HB3 0.06 -0.07 0.16 -0.04 1.79 1.89 3ho3A1 LYS 569 HG2 0.06 -0.01 0.06 -0.04 1.46 1.52 3ho3A1 LYS 569 HG3 0.07 -0.04 -0.26 -0.04 1.46 1.18 3ho3A1 LYS 569 HD2 0.30 0.06 0.08 -0.04 1.69 2.08 3ho3A1 LYS 569 HD3 0.12 -0.10 0.08 -0.04 1.68 1.73 3ho3A1 LYS 569 HE2 0.10 -0.02 0.02 -0.04 2.99 3.05 3ho3A1 LYS 569 HE3 0.18 0.03 -0.04 -0.04 2.99 3.12 3ho3A1 HIS 575 HA 0.00 -0.03 0.13 -0.75 4.63 3.97 3ho3A1 HIS 575 HB2 -0.00 0.03 0.09 -0.04 3.26 3.34 3ho3A1 HIS 575 HB3 -0.01 -0.15 0.16 -0.04 3.20 3.16 3ho3A1 HIS 575 HD2 -0.02 0.01 0.01 -0.04 6.97 6.93 3ho3A1 HIS 575 HE1 -0.07 0.10 -0.14 -0.04 7.75 7.60 3ho3A1 ASN 576 H 0.21 0.05 0.03 -0.55 8.53 8.28 3ho3A1 ASN 576 HA 0.07 -0.24 0.52 -0.75 4.76 4.36 3ho3A1 ASN 576 HB2 0.03 0.03 0.03 -0.04 2.88 2.93 3ho3A1 ASN 576 HB3 0.05 0.04 -0.01 -0.04 2.79 2.83 3ho3A1 ASN 576 HD21 0.01 0.01 -0.03 -0.04 7.03 6.97 3ho3A1 ASN 576 HD22 0.02 0.04 -0.02 -0.04 7.74 7.73 3ho3A1 GLY 577 H 0.06 -0.44 0.41 -0.55 8.43 7.90 3ho3A1 GLY 577 HA2 0.04 0.19 0.99 -0.51 4.01 4.72 3ho3A1 GLY 577 HA3 0.04 0.06 0.38 -0.51 4.01 3.98 3ho3A1 LYS 578 H 0.05 0.78 0.40 -0.55 8.42 9.09 3ho3A1 LYS 578 HA -0.07 0.18 0.97 -0.75 4.32 4.64 3ho3A1 LYS 578 HB2 0.13 0.05 0.07 -0.04 1.87 2.08 3ho3A1 LYS 578 HB3 -0.26 -0.02 0.06 -0.04 1.79 1.53 3ho3A1 LYS 578 HG2 0.07 -0.07 -0.03 -0.04 1.46 1.40 3ho3A1 LYS 578 HG3 0.21 0.01 -0.02 -0.04 1.46 1.62 3ho3A1 LYS 578 HD2 -0.03 -0.03 -0.09 -0.04 1.69 1.49 3ho3A1 LYS 578 HD3 0.04 -0.03 -0.11 -0.04 1.68 1.55 3ho3A1 LYS 578 HE2 -0.04 0.03 -0.05 -0.04 2.99 2.88 3ho3A1 LYS 578 HE3 0.01 0.00 -0.07 -0.04 2.99 2.89 3ho3A1 LEU 579 H -0.21 0.50 0.34 -0.55 8.37 8.45 3ho3A1 LEU 579 HA 0.00 0.22 0.90 -0.75 4.35 4.72 3ho3A1 LEU 579 HB2 -0.05 0.03 -0.11 -0.04 1.64 1.47 3ho3A1 LEU 579 HB3 -0.07 -0.09 0.18 -0.04 1.64 1.61 3ho3A1 LEU 579 HG 0.10 -0.02 -0.35 -0.04 1.64 1.33 3ho3A1 LEU 579 HD13 -0.02 0.03 -0.22 -0.04 0.93 0.67 3ho3A1 LEU 579 HD23 -0.14 -0.01 -0.17 -0.04 0.89 0.54 3ho3A1 TYR 580 H 0.17 0.82 0.28 -0.55 8.29 9.01 3ho3A1 TYR 580 HA 0.03 0.24 1.02 -0.75 4.56 5.09 3ho3A1 TYR 580 HB2 -0.03 0.04 0.06 -0.04 3.06 3.08 3ho3A1 TYR 580 HB3 -0.03 0.02 -0.13 -0.04 2.98 2.80 3ho3A1 TYR 580 HD2 -0.01 0.01 -0.43 -0.04 7.15 6.68 3ho3A1 TYR 580 HE2 0.08 0.02 -0.10 -0.04 6.85 6.80 3ho3A1 LYS 581 H 0.06 0.69 0.35 -0.55 8.42 8.96 3ho3A1 LYS 581 HA -0.42 0.12 0.90 -0.75 4.32 4.17 3ho3A1 LYS 581 HB2 -0.11 -0.05 0.03 -0.04 1.87 1.70 3ho3A1 LYS 581 HB3 -0.09 0.00 0.02 -0.04 1.79 1.69 3ho3A1 LYS 581 HG2 -0.36 0.18 0.07 -0.04 1.46 1.31 3ho3A1 LYS 581 HG3 -0.96 -0.09 -0.02 -0.04 1.46 0.35 3ho3A1 LYS 581 HD2 -0.08 -0.02 -0.09 -0.04 1.69 1.45 3ho3A1 LYS 581 HD3 -0.12 0.09 -0.05 -0.04 1.68 1.55 3ho3A1 LYS 581 HE2 -0.16 -0.09 -0.05 -0.04 2.99 2.64 3ho3A1 LYS 581 HE3 0.01 0.00 -0.06 -0.04 2.99 2.91 3ho3A1 ILE 582 H -0.32 0.50 0.34 -0.55 8.25 8.22 3ho3A1 ILE 582 HA -0.09 0.32 0.96 -0.75 4.18 4.61 3ho3A1 ILE 582 HB -0.20 -0.02 0.15 -0.04 1.89 1.78 3ho3A1 ILE 582 HG12 -0.17 0.05 -0.13 -0.04 1.49 1.20 3ho3A1 ILE 582 HG13 -0.15 -0.03 -0.21 -0.04 1.21 0.78 3ho3A1 ILE 582 HG23 -0.21 -0.02 -0.17 -0.04 0.93 0.49 3ho3A1 ILE 582 HD13 -0.14 -0.01 -0.17 -0.04 0.88 0.51 3ho3A1 VAL 583 H 0.01 0.57 0.29 -0.55 8.24 8.55 3ho3A1 VAL 583 HA -0.00 0.09 0.88 -0.75 4.13 4.35 3ho3A1 VAL 583 HB -0.00 0.00 -0.06 -0.04 2.12 2.02 3ho3A1 VAL 583 HG13 -0.01 0.01 -0.24 -0.04 0.97 0.69 3ho3A1 VAL 583 HG23 -0.03 0.01 -0.38 -0.04 0.95 0.51 3ho3A1 ASP 584 H 0.07 0.16 0.04 -0.55 8.40 8.12 3ho3A1 ASP 584 HA -0.07 0.18 0.76 -0.75 4.63 4.74 3ho3A1 ASP 584 HB2 0.23 -0.05 0.05 -0.04 2.71 2.90 3ho3A1 ASP 584 HB3 0.04 0.13 0.12 -0.04 2.70 2.95 3ho3A1 PRO 585 HA -0.05 0.13 0.31 -0.51 4.44 4.33 3ho3A1 PRO 585 HB2 -0.07 -0.01 0.00 -0.04 2.28 2.16 3ho3A1 PRO 585 HB3 -0.06 0.04 0.03 -0.04 2.02 1.99 3ho3A1 PRO 585 HG2 -0.17 -0.02 0.06 -0.04 2.03 1.85 3ho3A1 PRO 585 HG3 -0.13 0.12 0.01 -0.04 2.03 1.99 3ho3A1 PRO 585 HD2 -0.41 0.07 0.33 -0.04 3.68 3.62 3ho3A1 PRO 585 HD3 -0.14 0.25 0.33 -0.04 3.65 4.05 3ho3A1 LYS 586 H -0.14 0.04 -0.31 -0.55 8.42 7.46 3ho3A1 LYS 586 HA -0.06 0.12 0.56 -0.75 4.32 4.18 3ho3A1 LYS 586 HB2 -0.09 -0.05 -0.01 -0.04 1.87 1.68 3ho3A1 LYS 586 HB3 -0.07 -0.01 0.10 -0.04 1.79 1.78 3ho3A1 LYS 586 HG2 -0.11 0.03 -0.02 -0.04 1.46 1.32 3ho3A1 LYS 586 HG3 -0.18 0.02 0.01 -0.04 1.46 1.26 3ho3A1 LYS 586 HD2 -0.17 0.03 -0.01 -0.04 1.69 1.50 3ho3A1 LYS 586 HD3 -0.11 -0.04 0.00 -0.04 1.68 1.49 3ho3A1 LYS 586 HE2 -0.08 -0.01 -0.00 -0.04 2.99 2.85 3ho3A1 LYS 586 HE3 -0.08 -0.00 0.01 -0.04 2.99 2.88 3ho3A1 ARG 587 H -0.04 0.36 -0.33 -0.55 8.46 7.90 3ho3A1 ARG 587 HA -0.01 0.13 0.87 -0.75 4.34 4.58 3ho3A1 ARG 587 HB2 0.01 0.03 0.14 -0.04 1.90 2.04 3ho3A1 ARG 587 HB3 0.01 0.08 0.15 -0.04 1.80 2.00 3ho3A1 ARG 587 HG2 -0.01 0.09 -0.07 -0.04 1.67 1.64 3ho3A1 ARG 587 HG3 -0.00 -0.21 -0.10 -0.04 1.67 1.32 3ho3A1 ARG 587 HD2 0.03 -0.31 0.08 -0.04 3.22 2.98 3ho3A1 ARG 587 HD3 0.04 0.41 0.12 -0.04 3.22 3.75 3ho3A1 PRO 588 HA -0.01 0.02 0.31 -0.51 4.44 4.26 3ho3A1 PRO 588 HB2 -0.00 -0.04 -0.26 -0.04 2.28 1.94 3ho3A1 PRO 588 HB3 -0.01 0.01 -0.03 -0.04 2.02 1.95 3ho3A1 PRO 588 HG2 -0.00 -0.06 0.07 -0.04 2.03 1.99 3ho3A1 PRO 588 HG3 -0.01 0.06 0.06 -0.04 2.03 2.10 3ho3A1 PRO 588 HD2 -0.00 0.11 0.18 -0.04 3.68 3.93 3ho3A1 PRO 588 HD3 -0.01 0.17 0.22 -0.04 3.65 3.98 3ho3A1 LEU 589 H -0.01 0.07 0.10 -0.55 8.37 7.99 3ho3A1 LEU 589 HA -0.00 0.11 0.45 -0.75 4.35 4.16 3ho3A1 LEU 589 HB2 -0.01 -0.09 0.15 -0.04 1.64 1.65 3ho3A1 LEU 589 HB3 -0.01 0.03 -0.02 -0.04 1.64 1.60 3ho3A1 LEU 589 HG -0.01 0.05 0.02 -0.04 1.64 1.67 3ho3A1 LEU 589 HD13 -0.01 -0.01 0.01 -0.04 0.93 0.88 3ho3A1 LEU 589 HD23 -0.01 0.01 -0.04 -0.04 0.89 0.81 3ho3A1 MET 590 H -0.00 0.06 -0.12 -0.55 8.47 7.85 3ho3A1 MET 590 HA 0.00 0.25 0.79 -0.75 4.52 4.81 3ho3A1 MET 590 HB2 -0.00 -0.04 -0.03 -0.04 2.15 2.04 3ho3A1 MET 590 HB3 -0.00 -0.04 0.13 -0.04 2.03 2.07 3ho3A1 MET 590 HG2 -0.00 -0.03 -0.03 -0.04 2.63 2.53 3ho3A1 MET 590 HG3 -0.00 0.05 -0.07 -0.04 2.56 2.49 3ho3A1 MET 590 HE3 -0.00 -0.00 -0.04 -0.04 2.10 2.01 3ho3A1 PRO 591 HA -0.00 0.05 0.48 -0.51 4.44 4.45 3ho3A1 PRO 591 HB2 0.00 -0.08 -0.11 -0.04 2.28 2.06 3ho3A1 PRO 591 HB3 0.00 0.04 0.06 -0.04 2.02 2.08 3ho3A1 PRO 591 HG2 0.02 0.05 -0.05 -0.04 2.03 2.01 3ho3A1 PRO 591 HG3 0.01 0.29 -0.08 -0.04 2.03 2.20 3ho3A1 PRO 591 HD2 0.01 0.01 0.05 -0.04 3.68 3.71 3ho3A1 PRO 591 HD3 0.01 0.47 -0.34 -0.04 3.65 3.75 3ho3A1 GLU 592 H -0.00 0.15 0.17 -0.55 8.60 8.37 3ho3A1 GLU 592 HA -0.00 0.10 0.30 -0.75 4.29 3.93 3ho3A1 GLU 592 HB2 -0.01 0.00 0.09 -0.04 2.09 2.14 3ho3A1 GLU 592 HB3 -0.01 0.04 0.08 -0.04 1.99 2.06 3ho3A1 GLU 592 HG2 -0.01 0.04 0.08 -0.04 2.34 2.42 3ho3A1 GLU 592 HG3 -0.01 -0.06 0.19 -0.04 2.34 2.42 3ho3A1 GLU 593 H -0.01 0.08 -0.14 -0.55 8.60 7.99 3ho3A1 GLU 593 HA -0.01 0.13 0.46 -0.75 4.29 4.12 3ho3A1 GLU 593 HB2 -0.01 0.08 -0.02 -0.04 2.09 2.09 3ho3A1 GLU 593 HB3 -0.01 0.02 0.11 -0.04 1.99 2.07 3ho3A1 GLU 593 HG2 -0.01 0.03 0.02 -0.04 2.34 2.34 3ho3A1 GLU 593 HG3 -0.01 -0.11 0.04 -0.04 2.34 2.22 3ho3A1 CYS 594 H -0.00 0.35 -0.57 -0.55 8.50 7.72 3ho3A1 CYS 594 HA -0.01 0.18 0.76 -0.75 4.58 4.76 3ho3A1 CYS 594 HB2 0.00 0.17 -0.02 -0.04 2.97 3.08 3ho3A1 CYS 594 HB3 0.00 -0.09 0.04 -0.04 2.97 2.88 3ho3A1 ARG 595 H -0.01 0.22 -0.15 -0.55 8.46 7.97 3ho3A1 ARG 595 HA -0.01 -0.03 0.35 -0.75 4.34 3.90 3ho3A1 ARG 595 HB2 -0.01 0.14 0.12 -0.04 1.90 2.11 3ho3A1 ARG 595 HB3 -0.00 -0.06 -0.11 -0.04 1.80 1.58 3ho3A1 ARG 595 HG2 -0.00 -0.02 -0.04 -0.04 1.67 1.57 3ho3A1 ARG 595 HG3 -0.00 0.04 -0.01 -0.04 1.67 1.65 3ho3A1 ARG 595 HD2 -0.00 -0.02 -0.04 -0.04 3.22 3.12 3ho3A1 ARG 595 HD3 -0.00 -0.02 -0.04 -0.04 3.22 3.12 3ho3A1 ALA 596 H -0.01 0.18 0.17 -0.55 8.40 8.20 3ho3A1 ALA 596 HA -0.01 0.14 0.63 -0.75 4.34 4.35 3ho3A1 ALA 596 HB3 -0.01 0.02 0.02 -0.04 1.41 1.40 3ho3A1 THR 597 H -0.00 0.17 0.02 -0.55 8.28 7.92 3ho3A1 THR 597 HA -0.00 0.00 0.57 -0.75 4.39 4.21 3ho3A1 THR 597 HB -0.00 -0.01 0.06 -0.04 4.32 4.32 3ho3A1 THR 597 HG23 0.00 0.01 0.07 -0.04 1.22 1.25 3ho3A1 VAL 598 H 0.00 0.07 0.21 -0.55 8.24 7.96 3ho3A1 VAL 598 HA 0.00 0.13 0.30 -0.75 4.13 3.81 3ho3A1 VAL 598 HB 0.00 0.05 0.13 -0.04 2.12 2.25 3ho3A1 VAL 598 HG13 0.00 -0.01 0.08 -0.04 0.97 1.01 3ho3A1 VAL 598 HG23 0.01 -0.04 -0.12 -0.04 0.95 0.76 3ho3A1 GLN 599 H 0.01 0.33 -0.06 -0.55 8.47 8.20 3ho3A1 GLN 599 HA 0.01 0.22 0.85 -0.75 4.36 4.69 3ho3A1 GLN 599 HB2 0.02 -0.16 0.01 -0.04 2.15 1.97 3ho3A1 GLN 599 HB3 0.01 0.07 -0.02 -0.04 2.02 2.04 3ho3A1 GLN 599 HG2 0.01 0.02 -0.07 -0.04 2.40 2.32 3ho3A1 GLN 599 HG3 0.01 0.13 -0.10 -0.04 2.39 2.39 3ho3A1 GLN 599 HE21 0.01 -0.02 -0.02 -0.04 6.97 6.90 3ho3A1 GLN 599 HE22 0.01 0.09 0.00 -0.04 7.69 7.75 3ho3A1 PRO 600 HA 0.05 -0.12 0.37 -0.51 4.44 4.23 3ho3A1 PRO 600 HB2 0.03 0.08 0.03 -0.04 2.28 2.39 3ho3A1 PRO 600 HB3 0.05 -0.02 0.07 -0.04 2.02 2.08 3ho3A1 PRO 600 HG2 0.02 0.04 0.05 -0.04 2.03 2.11 3ho3A1 PRO 600 HG3 0.03 -0.01 0.02 -0.04 2.03 2.02 3ho3A1 PRO 600 HD2 0.02 0.11 0.15 -0.04 3.68 3.92 3ho3A1 PRO 600 HD3 0.02 0.36 0.06 -0.04 3.65 4.05 3ho3A1 ALA 601 H 0.05 -0.05 0.19 -0.55 8.40 8.04 3ho3A1 ALA 601 HA 0.01 0.11 0.39 -0.75 4.34 4.10 3ho3A1 ALA 601 HB3 -0.04 -0.02 0.08 -0.04 1.41 1.39 3ho3A1 GLN 602 H -0.01 0.18 0.22 -0.55 8.47 8.31 3ho3A1 GLN 602 HA -0.01 0.14 0.91 -0.75 4.36 4.64 3ho3A1 GLN 602 HB2 -0.00 0.01 0.02 -0.04 2.15 2.13 3ho3A1 GLN 602 HB3 -0.02 0.13 -0.03 -0.04 2.02 2.06 3ho3A1 GLN 602 HG2 -0.01 -0.01 0.01 -0.04 2.40 2.36 3ho3A1 GLN 602 HG3 -0.01 -0.10 0.12 -0.04 2.39 2.36 3ho3A1 GLN 602 HE21 0.01 -0.02 -0.06 -0.04 6.97 6.86 3ho3A1 GLN 602 HE22 0.00 -0.04 -0.05 -0.04 7.69 7.57 3ho3A1 THR 603 H -0.02 0.09 0.14 -0.55 8.28 7.94 3ho3A1 THR 603 HA -0.03 0.06 0.58 -0.75 4.39 4.25 3ho3A1 THR 603 HB -0.02 0.19 0.15 -0.04 4.32 4.59 3ho3A1 THR 603 HG23 -0.01 -0.04 -0.01 -0.04 1.22 1.12 3ho3A1 LEU 604 H -0.04 0.09 0.15 -0.55 8.37 8.02 3ho3A1 LEU 604 HA -0.05 0.13 0.47 -0.75 4.35 4.14 3ho3A1 LEU 604 HB2 -0.04 -0.04 0.02 -0.04 1.64 1.54 3ho3A1 LEU 604 HB3 -0.06 0.01 0.05 -0.04 1.64 1.60 3ho3A1 LEU 604 HG -0.12 0.05 -0.04 -0.04 1.64 1.49 3ho3A1 LEU 604 HD13 -0.04 -0.03 -0.04 -0.04 0.93 0.78 3ho3A1 LEU 604 HD23 -0.09 0.01 -0.21 -0.04 0.89 0.56 3ho3A1 THR 605 H -0.03 0.11 0.23 -0.55 8.28 8.05 3ho3A1 THR 605 HA -0.02 0.23 0.86 -0.75 4.39 4.71 3ho3A1 THR 605 HB -0.01 -0.02 0.10 -0.04 4.32 4.35 3ho3A1 THR 605 HG23 -0.02 0.04 -0.13 -0.04 1.22 1.08 3ho3A1 SER 606 H -0.02 0.02 0.07 -0.55 8.46 7.99 3ho3A1 SER 606 HA -0.00 0.06 0.29 -0.75 4.49 4.09 3ho3A1 SER 606 HB2 0.01 -0.08 0.14 -0.04 3.95 3.98 3ho3A1 SER 606 HB3 -0.01 0.15 0.18 -0.04 3.93 4.20 3ho3A1 GLU 607 H 0.03 0.09 0.20 -0.55 8.60 8.38 3ho3A1 GLU 607 HA 0.02 0.19 0.46 -0.75 4.29 4.20 3ho3A1 GLU 607 HB2 0.07 -0.03 0.17 -0.04 2.09 2.25 3ho3A1 GLU 607 HB3 0.15 0.01 0.09 -0.04 1.99 2.20 3ho3A1 GLU 607 HG2 0.14 0.03 0.03 -0.04 2.34 2.51 3ho3A1 GLU 607 HG3 0.04 0.01 0.06 -0.04 2.34 2.41 3ho3A1 CYS 608 H 0.08 0.02 -0.02 -0.55 8.50 8.03 3ho3A1 CYS 608 HA 0.26 0.07 0.53 -0.75 4.58 4.69 3ho3A1 CYS 608 HB2 0.05 0.31 0.14 -0.04 2.97 3.43 3ho3A1 CYS 608 HB3 0.03 -0.06 -0.02 -0.04 2.97 2.88 3ho3A1 SER 609 H 0.02 -0.00 -0.58 -0.55 8.46 7.36 3ho3A1 SER 609 HA 0.00 0.14 0.73 -0.75 4.49 4.60 3ho3A1 SER 609 HB2 -0.01 -0.03 -0.03 -0.04 3.95 3.84 3ho3A1 SER 609 HB3 -0.01 0.16 -0.15 -0.04 3.93 3.88 3ho3A1 ARG 610 H -0.03 0.08 0.03 -0.55 8.46 8.00 3ho3A1 ARG 610 HA -0.05 -0.03 0.23 -0.75 4.34 3.74 3ho3A1 ARG 610 HB2 -0.05 -0.05 0.12 -0.04 1.90 1.88 3ho3A1 ARG 610 HB3 -0.04 -0.04 -0.04 -0.04 1.80 1.64 3ho3A1 ARG 610 HG2 -0.08 0.12 -0.16 -0.04 1.67 1.52 3ho3A1 ARG 610 HG3 -0.05 -0.09 -0.05 -0.04 1.67 1.43 3ho3A1 ARG 610 HD2 -0.03 -0.08 -0.24 -0.04 3.22 2.83 3ho3A1 ARG 610 HD3 -0.03 0.32 -0.61 -0.04 3.22 2.85 3ho3A1 LEU 611 H -0.06 0.05 -1.06 -0.55 8.37 6.75 3ho3A1 LEU 611 HA -0.22 0.10 0.84 -0.75 4.35 4.32 3ho3A1 LEU 611 HB2 -0.30 0.52 0.11 -0.04 1.64 1.93 3ho3A1 LEU 611 HB3 -1.13 -0.11 -0.07 -0.04 1.64 0.29 3ho3A1 LEU 611 HG -0.42 -0.08 0.07 -0.04 1.64 1.16 3ho3A1 LEU 611 HD13 -0.17 0.06 -0.13 -0.04 0.93 0.65 3ho3A1 LEU 611 HD23 -0.70 -0.04 0.00 -0.04 0.89 0.11 3ho3A1 CYS 612 H 0.06 0.20 -0.11 -0.55 8.50 8.10 3ho3A1 CYS 612 HA 0.22 0.12 0.59 -0.75 4.58 4.75 3ho3A1 CYS 612 HB2 0.31 -0.11 0.11 -0.04 2.97 3.24 3ho3A1 CYS 612 HB3 0.10 0.33 0.24 -0.04 2.97 3.60 3ho3A1 ARG 613 H -0.04 0.38 0.22 -0.55 8.46 8.46 3ho3A1 ARG 613 HA -0.10 0.06 0.78 -0.75 4.34 4.33 3ho3A1 ARG 613 HB2 -0.23 0.11 -0.04 -0.04 1.90 1.70 3ho3A1 ARG 613 HB3 -0.17 -0.12 0.05 -0.04 1.80 1.51 3ho3A1 ARG 613 HG2 -0.09 0.29 -0.10 -0.04 1.67 1.73 3ho3A1 ARG 613 HG3 -0.10 -0.06 -0.06 -0.04 1.67 1.41 3ho3A1 ARG 613 HD2 -0.08 -0.06 -0.14 -0.04 3.22 2.90 3ho3A1 ARG 613 HD3 -0.07 0.00 -0.81 -0.04 3.22 2.31 3ho3A1 ASN 614 H -0.20 0.01 0.09 -0.55 8.53 7.89 3ho3A1 ASN 614 HA -0.27 -0.11 0.40 -0.75 4.76 4.02 3ho3A1 ASN 614 HB2 -1.09 0.35 -0.03 -0.04 2.88 2.07 3ho3A1 ASN 614 HB3 -1.40 -0.03 0.15 -0.04 2.79 1.47 3ho3A1 ASN 614 HD21 -0.13 -0.05 0.03 -0.04 7.03 6.84 3ho3A1 ASN 614 HD22 -0.23 -0.01 0.04 -0.04 7.74 7.50 3ho3A1 GLY 615 H -0.07 0.03 0.07 -0.55 8.43 7.91 3ho3A1 GLY 615 HA2 0.05 -0.09 0.33 -0.51 4.01 3.79 3ho3A1 GLY 615 HA3 -0.05 0.29 0.91 -0.51 4.01 4.65 3ho3A1 TYR 616 H 0.09 0.06 0.01 -0.55 8.29 7.90 3ho3A1 TYR 616 HA -0.01 0.18 0.54 -0.75 4.56 4.52 3ho3A1 TYR 616 HB2 0.02 -0.03 0.06 -0.04 3.06 3.06 3ho3A1 TYR 616 HB3 0.00 0.00 -0.02 -0.04 2.98 2.92 3ho3A1 TYR 616 HD2 0.02 -0.04 -0.17 -0.04 7.15 6.92 3ho3A1 TYR 616 HE2 0.00 0.04 -0.11 -0.04 6.85 6.74 3ho3A1 CYS 617 H 0.27 0.20 0.00 -0.55 8.50 8.43 3ho3A1 CYS 617 HA -0.04 0.11 0.62 -0.75 4.58 4.52 3ho3A1 CYS 617 HB2 0.03 0.10 -0.23 -0.04 2.97 2.83 3ho3A1 CYS 617 HB3 0.06 -0.02 0.09 -0.04 2.97 3.05 3ho3A1 THR 618 H -0.02 0.56 0.14 -0.55 8.28 8.41 3ho3A1 THR 618 HA 0.21 0.15 0.30 -0.75 4.39 4.30 3ho3A1 THR 618 HB 0.13 0.06 0.22 -0.04 4.32 4.69 3ho3A1 THR 618 HG23 0.09 0.06 -0.01 -0.04 1.22 1.31 3ho3A1 PRO 619 HA -0.09 0.13 0.33 -0.51 4.44 4.30 3ho3A1 PRO 619 HB2 0.05 -0.04 -0.07 -0.04 2.28 2.18 3ho3A1 PRO 619 HB3 -0.40 -0.02 0.08 -0.04 2.02 1.63 3ho3A1 PRO 619 HG2 0.32 0.15 0.00 -0.04 2.03 2.46 3ho3A1 PRO 619 HG3 0.27 0.06 0.10 -0.04 2.03 2.42 3ho3A1 PRO 619 HD2 0.18 0.08 0.32 -0.04 3.68 4.21 3ho3A1 PRO 619 HD3 0.24 0.18 0.29 -0.04 3.65 4.31 3ho3A1 THR 620 H 0.05 0.08 -0.47 -0.55 8.28 7.39 3ho3A1 THR 620 HA 0.02 0.15 0.66 -0.75 4.39 4.47 3ho3A1 THR 620 HB 0.03 0.01 -0.01 -0.04 4.32 4.30 3ho3A1 THR 620 HG23 0.07 -0.01 -0.14 -0.04 1.22 1.11 3ho3A1 GLY 621 H 0.01 0.65 -0.21 -0.55 8.43 8.33 3ho3A1 GLY 621 HA2 0.00 0.05 0.19 -0.51 4.01 3.74 3ho3A1 GLY 621 HA3 0.00 0.11 0.72 -0.51 4.01 4.33 3ho3A1 LYS 622 H -0.01 0.01 -0.12 -0.55 8.42 7.75 3ho3A1 LYS 622 HA -0.09 0.09 0.57 -0.75 4.32 4.14 3ho3A1 LYS 622 HB2 -0.05 0.00 0.10 -0.04 1.87 1.88 3ho3A1 LYS 622 HB3 -0.07 0.08 0.01 -0.04 1.79 1.77 3ho3A1 LYS 622 HG2 -0.01 -0.09 -0.11 -0.04 1.46 1.21 3ho3A1 LYS 622 HG3 -0.01 -0.02 0.02 -0.04 1.46 1.40 3ho3A1 LYS 622 HD2 -0.04 0.01 -0.02 -0.04 1.69 1.60 3ho3A1 LYS 622 HD3 -0.05 0.04 -0.14 -0.04 1.68 1.49 3ho3A1 LYS 622 HE2 -0.00 0.07 -0.17 -0.04 2.99 2.84 3ho3A1 LYS 622 HE3 0.00 -0.03 -0.08 -0.04 2.99 2.84 3ho3A1 CYS 623 H -0.18 0.17 0.21 -0.55 8.50 8.15 3ho3A1 CYS 623 HA -0.13 0.11 0.64 -0.75 4.58 4.44 3ho3A1 CYS 623 HB2 -0.07 -0.05 0.10 -0.04 2.97 2.92 3ho3A1 CYS 623 HB3 -0.29 0.09 0.25 -0.04 2.97 2.99 3ho3A1 CYS 624 H -0.37 0.50 0.25 -0.55 8.50 8.33 3ho3A1 CYS 624 HA -0.22 0.07 0.74 -0.75 4.58 4.42 3ho3A1 CYS 624 HB2 -1.50 -0.03 -0.05 -0.04 2.97 1.35 3ho3A1 CYS 624 HB3 -0.50 0.02 -0.05 -0.04 2.97 2.40 3ho3A1 CYS 625 H -0.08 0.09 0.11 -0.55 8.50 8.07 3ho3A1 CYS 625 HA -0.03 0.31 0.76 -0.75 4.58 4.87 3ho3A1 CYS 625 HB2 0.05 -0.11 0.08 -0.04 2.97 2.95 3ho3A1 CYS 625 HB3 0.16 0.16 -0.08 -0.04 2.97 3.17 3ho3A1 SER 626 H 0.05 0.30 0.15 -0.55 8.46 8.42 3ho3A1 SER 626 HA 0.13 0.07 0.62 -0.75 4.49 4.57 3ho3A1 SER 626 HB2 0.19 0.06 -0.03 -0.04 3.95 4.13 3ho3A1 SER 626 HB3 0.12 -0.05 0.06 -0.04 3.93 4.02 3ho3A1 PRO 627 HA 0.07 -0.02 0.33 -0.51 4.44 4.31 3ho3A1 PRO 627 HB2 0.04 0.01 -0.02 -0.04 2.28 2.27 3ho3A1 PRO 627 HB3 0.04 0.00 0.11 -0.04 2.02 2.13 3ho3A1 PRO 627 HG2 0.08 0.02 0.07 -0.04 2.03 2.16 3ho3A1 PRO 627 HG3 0.05 0.04 0.09 -0.04 2.03 2.17 3ho3A1 PRO 627 HD2 0.11 0.06 0.22 -0.04 3.68 4.03 3ho3A1 PRO 627 HD3 0.09 0.17 0.21 -0.04 3.65 4.07 3ho3A1 GLY 628 H 0.01 0.07 0.18 -0.55 8.43 8.14 3ho3A1 GLY 628 HA2 -0.13 -0.10 0.36 -0.51 4.01 3.63 3ho3A1 GLY 628 HA3 -0.20 0.08 0.61 -0.51 4.01 3.99 3ho3A1 TRP 629 H 0.15 0.23 0.03 -0.55 7.97 7.83 3ho3A1 TRP 629 HA 0.00 0.10 0.62 -0.75 4.62 4.59 3ho3A1 TRP 629 HB2 0.00 0.07 0.04 -0.04 3.23 3.31 3ho3A1 TRP 629 HB3 0.01 0.08 0.06 -0.04 3.23 3.33 3ho3A1 TRP 629 HD1 0.01 0.11 -0.30 -0.04 7.22 7.01 3ho3A1 TRP 629 HE1 0.01 -0.11 -0.01 -0.04 10.20 10.05 3ho3A1 TRP 629 HE3 0.01 0.09 -0.51 -0.04 7.59 7.14 3ho3A1 TRP 629 HZ2 0.01 -0.12 0.06 -0.04 7.44 7.36 3ho3A1 TRP 629 HZ3 0.01 0.15 -0.13 -0.04 7.13 7.12 3ho3A1 TRP 629 HH2 0.01 -0.02 0.08 -0.04 7.19 7.22 3ho3A1 GLU 630 H 0.24 0.65 0.15 -0.55 8.60 9.10 3ho3A1 GLU 630 HA 0.09 0.21 0.62 -0.75 4.29 4.45 3ho3A1 GLU 630 HB2 0.03 -0.11 0.16 -0.04 2.09 2.13 3ho3A1 GLU 630 HB3 0.04 0.05 -0.13 -0.04 1.99 1.90 3ho3A1 GLU 630 HG2 0.05 0.06 -0.25 -0.04 2.34 2.15 3ho3A1 GLU 630 HG3 0.04 -0.04 -0.21 -0.04 2.34 2.09 3ho3A1 GLY 631 H 0.03 0.16 0.15 -0.55 8.43 8.23 3ho3A1 GLY 631 HA2 0.03 0.06 0.36 -0.51 4.01 3.95 3ho3A1 GLY 631 HA3 0.07 0.05 0.88 -0.51 4.01 4.50 3ho3A1 ASP 632 H 0.04 0.12 0.18 -0.55 8.40 8.19 3ho3A1 ASP 632 HA -0.16 0.15 0.51 -0.75 4.63 4.38 3ho3A1 ASP 632 HB2 0.05 0.01 0.09 -0.04 2.71 2.82 3ho3A1 ASP 632 HB3 -0.29 0.06 0.08 -0.04 2.70 2.51 3ho3A1 PHE 633 H 0.14 -0.08 -0.05 -0.55 8.34 7.80 3ho3A1 PHE 633 HA -0.05 0.28 0.75 -0.75 4.62 4.85 3ho3A1 PHE 633 HB2 -0.03 -0.08 0.02 -0.04 3.15 3.01 3ho3A1 PHE 633 HB3 -0.05 0.15 0.05 -0.04 3.06 3.16 3ho3A1 PHE 633 HD2 -0.03 -0.06 -0.12 -0.04 7.28 7.03 3ho3A1 PHE 633 HE2 -0.02 -0.00 -0.16 -0.04 7.38 7.15 3ho3A1 PHE 633 HZ -0.02 -0.05 -0.08 -0.04 7.32 7.14 3ho3A1 CYS 634 H 0.04 0.05 -0.58 -0.55 8.50 7.45 3ho3A1 CYS 634 HA 0.13 0.05 0.05 -0.75 4.58 4.05 3ho3A1 CYS 634 HB2 -0.15 0.52 0.10 -0.04 2.97 3.41 3ho3A1 CYS 634 HB3 -0.02 -0.06 0.14 -0.04 2.97 3.00 3ho3A1 ARG 635 H 0.13 -0.21 -0.11 -0.55 8.46 7.72 3ho3A1 ARG 635 HA 0.02 0.20 0.42 -0.75 4.34 4.23 3ho3A1 ARG 635 HB2 0.11 -0.12 0.06 -0.04 1.90 1.91 3ho3A1 ARG 635 HB3 0.07 0.02 0.03 -0.04 1.80 1.88 3ho3A1 ARG 635 HG2 0.16 -0.23 -0.18 -0.04 1.67 1.37 3ho3A1 ARG 635 HG3 0.10 -0.07 0.00 -0.04 1.67 1.67 3ho3A1 ARG 635 HD2 -0.02 0.10 -0.05 -0.04 3.22 3.21 3ho3A1 ARG 635 HD3 0.03 0.15 0.03 -0.04 3.22 3.39 3ho3A1 THR 636 H 0.20 0.07 0.09 -0.55 8.28 8.09 3ho3A1 THR 636 HA 0.19 0.15 0.64 -0.75 4.39 4.62 3ho3A1 THR 636 HB 0.09 -0.06 -0.12 -0.04 4.32 4.18 3ho3A1 THR 636 HG23 0.04 0.03 0.01 -0.04 1.22 1.26 3ho3A1 ALA 637 H 0.01 0.18 0.13 -0.55 8.40 8.18 3ho3A1 ALA 637 HA -0.57 0.21 0.71 -0.75 4.34 3.93 3ho3A1 ALA 637 HB3 -0.58 0.06 -0.32 -0.04 1.41 0.52 3ho3A1 LYS 638 H -0.39 0.44 -0.05 -0.55 8.42 7.87 3ho3A1 LYS 638 HA -0.11 0.07 0.66 -0.75 4.32 4.19 3ho3A1 LYS 638 HB2 -0.09 0.02 -0.22 -0.04 1.87 1.54 3ho3A1 LYS 638 HB3 -0.14 -0.06 -0.02 -0.04 1.79 1.53 3ho3A1 LYS 638 HG2 -0.07 -0.06 -0.11 -0.04 1.46 1.18 3ho3A1 LYS 638 HG3 -0.05 0.04 -0.06 -0.04 1.46 1.34 3ho3A1 LYS 638 HD2 -0.02 0.03 -0.13 -0.04 1.69 1.53 3ho3A1 LYS 638 HD3 -0.04 -0.04 -0.07 -0.04 1.68 1.49 3ho3A1 LYS 638 HE2 -0.03 -0.00 -0.07 -0.04 2.99 2.85 3ho3A1 LYS 638 HE3 -0.02 0.01 -0.07 -0.04 2.99 2.87 3ho3A1 CYS 639 H -0.09 0.23 0.05 -0.55 8.50 8.15 3ho3A1 CYS 639 HA -0.10 0.04 0.80 -0.75 4.58 4.56 3ho3A1 CYS 639 HB2 -0.08 0.00 0.13 -0.04 2.97 2.98 3ho3A1 CYS 639 HB3 -0.07 -0.07 0.06 -0.04 2.97 2.84 3ho3A1 GLU 640 H -0.07 0.17 0.06 -0.55 8.60 8.22 3ho3A1 GLU 640 HA -0.05 0.09 0.28 -0.75 4.29 3.86 3ho3A1 GLU 640 HB2 -0.05 0.03 0.07 -0.04 2.09 2.10 3ho3A1 GLU 640 HB3 -0.04 0.04 0.02 -0.04 1.99 1.97 3ho3A1 GLU 640 HG2 -0.04 0.03 -0.00 -0.04 2.34 2.28 3ho3A1 GLU 640 HG3 -0.05 -0.08 -0.05 -0.04 2.34 2.12 3ho3A1 PRO 641 HA -0.04 0.17 0.81 -0.51 4.44 4.88 3ho3A1 PRO 641 HB2 -0.04 0.05 -0.05 -0.04 2.28 2.19 3ho3A1 PRO 641 HB3 -0.04 -0.00 0.05 -0.04 2.02 1.99 3ho3A1 PRO 641 HG2 -0.05 0.09 -0.18 -0.04 2.03 1.85 3ho3A1 PRO 641 HG3 -0.04 0.05 -0.03 -0.04 2.03 1.96 3ho3A1 PRO 641 HD2 -0.06 -0.09 -0.18 -0.04 3.68 3.31 3ho3A1 PRO 641 HD3 -0.05 0.08 0.05 -0.04 3.65 3.70 3ho3A1 ALA 642 H -0.06 0.14 -0.44 -0.55 8.40 7.49 3ho3A1 ALA 642 HA -0.06 0.01 0.38 -0.75 4.34 3.91 3ho3A1 ALA 642 HB3 -0.06 0.05 -0.08 -0.04 1.41 1.29 3ho3A1 CYS 643 H -0.07 0.07 0.06 -0.55 8.50 8.02 3ho3A1 CYS 643 HA -0.07 0.10 0.47 -0.75 4.58 4.32 3ho3A1 CYS 643 HB2 -0.06 -0.02 -0.06 -0.04 2.97 2.78 3ho3A1 CYS 643 HB3 -0.06 0.02 -0.32 -0.04 2.97 2.57 3ho3A1 ARG 644 H -0.12 0.59 0.20 -0.55 8.46 8.58 3ho3A1 ARG 644 HA -0.16 0.17 0.94 -0.75 4.34 4.53 3ho3A1 ARG 644 HB2 -0.44 -0.18 0.13 -0.04 1.90 1.37 3ho3A1 ARG 644 HB3 -0.21 0.06 -0.07 -0.04 1.80 1.54 3ho3A1 ARG 644 HG2 -0.26 0.21 -0.15 -0.04 1.67 1.43 3ho3A1 ARG 644 HG3 -0.67 -0.04 -0.14 -0.04 1.67 0.78 3ho3A1 ARG 644 HD2 -0.15 0.17 0.02 -0.04 3.22 3.22 3ho3A1 ARG 644 HD3 -0.16 -0.16 -0.14 -0.04 3.22 2.72 3ho3A1 HIS 645 H -0.28 0.12 0.13 -0.55 8.41 7.83 3ho3A1 HIS 645 HA -0.22 -0.00 0.33 -0.75 4.63 3.99 3ho3A1 HIS 645 HB2 -0.52 0.20 -0.05 -0.04 3.26 2.84 3ho3A1 HIS 645 HB3 -1.07 -0.01 0.17 -0.04 3.20 2.24 3ho3A1 HIS 645 HD2 -0.10 -0.03 0.05 -0.04 6.97 6.84 3ho3A1 HIS 645 HE1 0.08 0.06 -0.06 -0.04 7.75 7.79 3ho3A1 GLY 646 H -0.09 0.06 -0.13 -0.55 8.43 7.73 3ho3A1 GLY 646 HA2 -0.06 0.01 0.25 -0.51 4.01 3.70 3ho3A1 GLY 646 HA3 -0.08 0.04 0.41 -0.51 4.01 3.88 3ho3A1 GLY 647 H -0.09 0.18 -0.67 -0.55 8.43 7.30 3ho3A1 GLY 647 HA2 -0.04 0.12 0.49 -0.51 4.01 4.06 3ho3A1 GLY 647 HA3 -0.06 0.03 0.06 -0.51 4.01 3.53 3ho3A1 VAL 648 H -0.02 0.55 0.20 -0.55 8.24 8.42 3ho3A1 VAL 648 HA -0.03 0.16 0.91 -0.75 4.13 4.42 3ho3A1 VAL 648 HB -0.01 -0.03 0.09 -0.04 2.12 2.12 3ho3A1 VAL 648 HG13 -0.01 -0.00 -0.19 -0.04 0.97 0.73 3ho3A1 VAL 648 HG23 -0.01 0.03 -0.16 -0.04 0.95 0.76 3ho3A1 CYS 649 H -0.04 0.18 0.09 -0.55 8.50 8.18 3ho3A1 CYS 649 HA -0.06 0.15 0.73 -0.75 4.58 4.64 3ho3A1 CYS 649 HB2 -0.07 -0.10 0.05 -0.04 2.97 2.80 3ho3A1 CYS 649 HB3 -0.07 0.03 0.14 -0.04 2.97 3.02 3ho3A1 VAL 650 H -0.06 0.20 0.15 -0.55 8.24 7.98 3ho3A1 VAL 650 HA -0.01 0.15 0.68 -0.75 4.13 4.20 3ho3A1 VAL 650 HB 0.03 0.01 -0.06 -0.04 2.12 2.06 3ho3A1 VAL 650 HG13 0.01 0.00 -0.11 -0.04 0.97 0.83 3ho3A1 VAL 650 HG23 -0.01 -0.03 -0.06 -0.04 0.95 0.81 3ho3A1 ARG 651 H -0.10 0.09 0.08 -0.55 8.46 7.97 3ho3A1 ARG 651 HA -0.39 0.27 0.79 -0.75 4.34 4.25 3ho3A1 ARG 651 HB2 -0.05 -0.10 0.02 -0.04 1.90 1.72 3ho3A1 ARG 651 HB3 -0.03 0.10 0.15 -0.04 1.80 1.98 3ho3A1 ARG 651 HG2 0.16 0.12 -0.05 -0.04 1.67 1.85 3ho3A1 ARG 651 HG3 0.04 -0.14 -0.27 -0.04 1.67 1.26 3ho3A1 ARG 651 HD2 0.04 -0.01 -0.01 -0.04 3.22 3.20 3ho3A1 ARG 651 HD3 0.11 0.03 -0.00 -0.04 3.22 3.31 3ho3A1 PRO 652 HA -0.35 0.32 0.71 -0.51 4.44 4.61 3ho3A1 PRO 652 HB2 -0.15 -0.06 0.11 -0.04 2.28 2.13 3ho3A1 PRO 652 HB3 -0.34 0.02 0.35 -0.04 2.02 2.01 3ho3A1 PRO 652 HG2 -0.09 -0.07 0.16 -0.04 2.03 1.99 3ho3A1 PRO 652 HG3 -0.21 0.20 0.14 -0.04 2.03 2.12 3ho3A1 PRO 652 HD2 -0.24 0.01 0.27 -0.04 3.68 3.68 3ho3A1 PRO 652 HD3 -1.56 0.30 0.23 -0.04 3.65 2.57 3ho3A1 ASN 653 H -0.16 0.46 0.47 -0.55 8.53 8.74 3ho3A1 ASN 653 HA -0.09 -0.11 0.43 -0.75 4.76 4.24 3ho3A1 ASN 653 HB2 -0.06 0.19 -0.09 -0.04 2.88 2.88 3ho3A1 ASN 653 HB3 -0.05 -0.03 0.12 -0.04 2.79 2.79 3ho3A1 ASN 653 HD21 -0.05 -0.04 -0.05 -0.04 7.03 6.86 3ho3A1 ASN 653 HD22 -0.05 0.07 -0.09 -0.04 7.74 7.64 3ho3A1 LYS 654 H -0.10 0.25 -1.16 -0.55 8.42 6.85 3ho3A1 LYS 654 HA -0.03 0.08 0.71 -0.75 4.32 4.32 3ho3A1 LYS 654 HB2 -0.04 0.10 0.01 -0.04 1.87 1.90 3ho3A1 LYS 654 HB3 -0.06 -0.23 0.02 -0.04 1.79 1.48 3ho3A1 LYS 654 HG2 -0.00 -0.02 -0.05 -0.04 1.46 1.34 3ho3A1 LYS 654 HG3 -0.01 -0.08 0.01 -0.04 1.46 1.34 3ho3A1 LYS 654 HD2 0.00 -0.01 0.01 -0.04 1.69 1.65 3ho3A1 LYS 654 HD3 -0.01 0.04 0.03 -0.04 1.68 1.71 3ho3A1 LYS 654 HE2 0.01 0.04 -0.01 -0.04 2.99 2.99 3ho3A1 LYS 654 HE3 0.02 -0.02 -0.02 -0.04 2.99 2.94 3ho3A1 CYS 655 H -0.02 0.19 0.11 -0.55 8.50 8.23 3ho3A1 CYS 655 HA -0.04 0.12 0.90 -0.75 4.58 4.81 3ho3A1 CYS 655 HB2 -0.05 0.06 -0.46 -0.04 2.97 2.49 3ho3A1 CYS 655 HB3 -0.02 0.10 -0.01 -0.04 2.97 2.99 3ho3A1 LEU 656 H -0.02 0.66 0.28 -0.55 8.37 8.74 3ho3A1 LEU 656 HA 0.01 0.09 0.83 -0.75 4.35 4.53 3ho3A1 LEU 656 HB2 0.01 -0.04 0.04 -0.04 1.64 1.60 3ho3A1 LEU 656 HB3 0.00 0.04 0.19 -0.04 1.64 1.82 3ho3A1 LEU 656 HG 0.02 0.09 -0.09 -0.04 1.64 1.62 3ho3A1 LEU 656 HD13 0.02 -0.01 -0.02 -0.04 0.93 0.88 3ho3A1 LEU 656 HD23 0.01 -0.01 -0.13 -0.04 0.89 0.71 3ho3A1 CYS 657 H 0.03 0.16 0.17 -0.55 8.50 8.31 3ho3A1 CYS 657 HA 0.01 0.10 0.60 -0.75 4.58 4.53 3ho3A1 CYS 657 HB2 0.09 0.03 0.02 -0.04 2.97 3.07 3ho3A1 CYS 657 HB3 0.12 0.08 -0.03 -0.04 2.97 3.10 3ho3A1 LYS 658 H 0.02 0.20 0.08 -0.55 8.42 8.17 3ho3A1 LYS 658 HA 0.06 0.03 0.58 -0.75 4.32 4.24 3ho3A1 LYS 658 HB2 0.00 0.10 0.11 -0.04 1.87 2.04 3ho3A1 LYS 658 HB3 0.11 0.08 -0.02 -0.04 1.79 1.92 3ho3A1 LYS 658 HG2 0.03 -0.00 0.05 -0.04 1.46 1.50 3ho3A1 LYS 658 HG3 0.02 0.02 0.04 -0.04 1.46 1.50 3ho3A1 LYS 658 HD2 0.09 0.11 0.04 -0.04 1.69 1.89 3ho3A1 LYS 658 HD3 0.05 -0.12 0.13 -0.04 1.68 1.70 3ho3A1 LYS 658 HE2 0.04 0.02 0.02 -0.04 2.99 3.02 3ho3A1 LYS 658 HE3 0.04 -0.03 0.03 -0.04 2.99 2.99 3ho3A1 LYS 659 H 0.08 0.06 0.16 -0.55 8.42 8.17 3ho3A1 LYS 659 HA 0.08 0.01 0.32 -0.75 4.32 3.98 3ho3A1 LYS 659 HB2 0.05 0.00 0.17 -0.04 1.87 2.05 3ho3A1 LYS 659 HB3 0.06 0.00 0.10 -0.04 1.79 1.91 3ho3A1 LYS 659 HG2 0.02 0.03 -0.08 -0.04 1.46 1.38 3ho3A1 LYS 659 HG3 0.03 -0.02 0.08 -0.04 1.46 1.51 3ho3A1 LYS 659 HD2 0.02 0.00 0.04 -0.04 1.69 1.71 3ho3A1 LYS 659 HD3 0.02 -0.01 0.00 -0.04 1.68 1.66 3ho3A1 LYS 659 HE2 0.00 0.00 -0.00 -0.04 2.99 2.95 3ho3A1 LYS 659 HE3 0.01 0.00 0.02 -0.04 2.99 2.98 3ho3A1 GLY 660 H 0.04 0.11 0.16 -0.55 8.43 8.18 3ho3A1 GLY 660 HA2 -0.09 -0.04 0.34 -0.51 4.01 3.72 3ho3A1 GLY 660 HA3 -0.10 0.14 0.71 -0.51 4.01 4.25 3ho3A1 TYR 661 H 0.21 0.34 -0.06 -0.55 8.29 8.23 3ho3A1 TYR 661 HA 0.13 0.27 1.00 -0.75 4.56 5.21 3ho3A1 TYR 661 HB2 0.07 0.02 0.05 -0.04 3.06 3.16 3ho3A1 TYR 661 HB3 0.11 0.07 0.02 -0.04 2.98 3.15 3ho3A1 TYR 661 HD2 0.05 0.18 -0.19 -0.04 7.15 7.15 3ho3A1 TYR 661 HE2 -0.47 -0.05 -0.06 -0.04 6.85 6.23 3ho3A1 LEU 662 H 0.19 0.63 0.27 -0.55 8.37 8.92 3ho3A1 LEU 662 HA 0.10 0.19 0.90 -0.75 4.35 4.78 3ho3A1 LEU 662 HB2 0.08 0.11 -0.02 -0.04 1.64 1.78 3ho3A1 LEU 662 HB3 0.09 -0.07 -0.01 -0.04 1.64 1.61 3ho3A1 LEU 662 HG 0.05 -0.03 0.04 -0.04 1.64 1.66 3ho3A1 LEU 662 HD13 0.03 0.09 -0.26 -0.04 0.93 0.75 3ho3A1 LEU 662 HD23 0.02 -0.00 -0.05 -0.04 0.89 0.82 3ho3A1 GLY 663 H 0.07 0.15 0.12 -0.55 8.43 8.23 3ho3A1 GLY 663 HA2 0.07 0.11 0.41 -0.51 4.01 4.09 3ho3A1 GLY 663 HA3 0.06 0.07 0.80 -0.51 4.01 4.42 3ho3A1 PRO 664 HA 0.00 0.13 0.39 -0.51 4.44 4.45 3ho3A1 PRO 664 HB2 -0.02 0.10 -0.00 -0.04 2.28 2.32 3ho3A1 PRO 664 HB3 -0.00 0.05 0.13 -0.04 2.02 2.16 3ho3A1 PRO 664 HG2 -0.01 0.04 0.04 -0.04 2.03 2.05 3ho3A1 PRO 664 HG3 0.00 0.07 0.07 -0.04 2.03 2.14 3ho3A1 PRO 664 HD2 0.02 0.08 0.24 -0.04 3.68 3.98 3ho3A1 PRO 664 HD3 0.03 0.15 0.19 -0.04 3.65 3.98 3ho3A1 GLN 665 H -0.03 -0.06 -0.42 -0.55 8.47 7.41 3ho3A1 GLN 665 HA -0.04 0.23 0.67 -0.75 4.36 4.47 3ho3A1 GLN 665 HB2 -0.08 -0.09 -0.05 -0.04 2.15 1.90 3ho3A1 GLN 665 HB3 -0.08 0.16 0.10 -0.04 2.02 2.16 3ho3A1 GLN 665 HG2 -0.06 0.21 -0.35 -0.04 2.40 2.16 3ho3A1 GLN 665 HG3 -0.05 0.08 -0.39 -0.04 2.39 1.99 3ho3A1 GLN 665 HE21 -0.03 -0.02 -0.09 -0.04 6.97 6.80 3ho3A1 GLN 665 HE22 -0.04 0.07 -0.20 -0.04 7.69 7.48 3ho3A1 CYS 666 H 0.01 0.46 -0.39 -0.55 8.50 8.04 3ho3A1 CYS 666 HA 0.11 0.07 -0.04 -0.75 4.58 3.97 3ho3A1 CYS 666 HB2 -0.01 0.22 0.11 -0.04 2.97 3.24 3ho3A1 CYS 666 HB3 0.10 -0.04 0.03 -0.04 2.97 3.02 3ho3A1 GLU 667 H -0.05 -0.10 -0.17 -0.55 8.60 7.74 3ho3A1 GLU 667 HA -0.01 0.13 0.14 -0.75 4.29 3.80 3ho3A1 GLU 667 HB2 -0.19 0.01 0.06 -0.04 2.09 1.93 3ho3A1 GLU 667 HB3 -0.15 0.03 -0.06 -0.04 1.99 1.77 3ho3A1 GLU 667 HG2 -0.98 0.05 -0.17 -0.04 2.34 1.20 3ho3A1 GLU 667 HG3 -0.40 0.02 -0.04 -0.04 2.34 1.87 3ho3A1 HIS 668 H 0.12 0.48 -0.10 -0.55 8.41 8.36 3ho3A1 HIS 668 HA 0.13 0.15 1.00 -0.75 4.63 5.16 3ho3A1 HIS 668 HB2 0.06 -0.01 -0.01 -0.04 3.26 3.26 3ho3A1 HIS 668 HB3 0.05 -0.00 -0.04 -0.04 3.20 3.16 3ho3A1 HIS 668 HD2 0.06 0.05 -0.03 -0.04 6.97 7.01 3ho3A1 HIS 668 HE1 0.02 -0.00 -0.03 -0.04 7.75 7.69 3ho3A1 HIS 669 H 0.22 0.09 0.08 -0.55 8.41 8.26 3ho3A1 HIS 669 HA -0.14 0.38 0.80 -0.75 4.63 4.91 3ho3A1 HIS 669 HB2 -0.09 0.05 -0.10 -0.04 3.26 3.09 3ho3A1 HIS 669 HB3 -0.05 -0.04 0.08 -0.04 3.20 3.15 3ho3A1 HIS 669 HD2 -1.13 0.22 -0.05 -0.04 6.97 5.97 3ho3A1 HIS 669 HE1 -0.13 -0.04 0.02 -0.04 7.75 7.56