============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. HIS 9 0.900 32.262 27.447 7.215 -99.200 -91.000 TYR 13 0.840 27.764 25.834 -2.336 -99.200 -91.000 PHE 27 1.000 20.396 39.223 -12.213 -99.200 -91.000 PHE 30 1.000 15.061 35.765 -10.117 -99.200 -91.000 PHE 42 1.000 27.696 36.466 6.275 -99.200 -91.000 PHE 44 1.000 19.700 33.330 12.792 -99.200 -91.000 PHE 55 1.000 20.700 29.592 -13.514 -99.200 -91.000 TYR 85 0.840 18.909 40.283 -17.612 -99.200 -91.000 HIS 88 0.900 25.139 35.095 -17.221 -99.200 -91.000 TYR 97 0.840 25.053 19.354 -16.186 -99.200 -91.000 TYR 104 0.840 31.146 17.420 -9.141 -99.200 -91.000 TRP 121 1.040 34.887 17.381 1.981 -99.200 -91.000 TRP6 121 1.020 33.872 19.045 0.604 -99.200 -91.000 HIS 126 0.900 28.804 21.421 1.093 -99.200 -91.000 HIS 148 0.900 28.076 13.910 -12.057 -99.200 -91.000 TYR 162 0.840 26.817 16.610 7.376 -99.200 -91.000 TYR 166 0.840 15.551 25.171 0.953 -99.200 -91.000 TRP 177 1.040 4.427 23.162 -8.341 -99.200 -91.000 TRP6 177 1.020 5.571 23.969 -6.422 -99.200 -91.000 HIS 192 0.900 14.145 21.034 0.956 -99.200 -91.000 PHE 194 1.000 9.230 27.186 0.059 -99.200 -91.000 HIS 203 0.900 12.007 38.910 6.720 -99.200 -91.000 PHE 206 1.000 16.796 32.607 4.380 -99.200 -91.000 HIS 208 0.900 7.540 29.389 9.090 -99.200 -91.000 TRP 237 1.040 12.584 40.441 24.710 -99.200 -91.000 TRP6 237 1.020 12.872 40.280 22.371 -99.200 -91.000 HIS 238 0.900 6.737 39.697 27.321 -99.200 -91.000 TRP 254 1.040 21.739 37.985 37.269 -99.200 -91.000 TRP6 254 1.020 21.334 39.374 39.161 -99.200 -91.000 HIS 260 0.900 5.761 50.381 37.945 -99.200 -91.000 PHE 262 1.000 9.436 43.283 41.695 -99.200 -91.000 TRP 263 1.040 7.694 38.858 44.959 -99.200 -91.000 TRP6 263 1.020 9.607 40.285 44.932 -99.200 -91.000 TRP 274 1.040 -0.506 26.410 28.590 -99.200 -91.000 TRP6 274 1.020 -2.128 28.119 28.603 -99.200 -91.000 PHE 278 1.000 13.250 29.111 34.937 -99.200 -91.000 PHE 289 1.000 9.560 53.149 42.256 -99.200 -91.000 PHE 292 1.000 2.498 56.403 47.172 -99.200 -91.000 PHE 302 1.000 10.355 61.600 40.505 -99.200 -91.000 TYR 303 0.840 5.387 55.770 38.326 -99.200 -91.000 HIS 321 0.900 9.110 28.366 21.940 -99.200 -91.000 HIS 348 0.900 27.014 49.741 21.584 -99.200 -91.000 HIS 361 0.900 8.390 46.912 17.269 -99.200 -91.000 PHE 362 1.000 3.456 48.660 24.354 -99.200 -91.000 TRP 380 1.040 12.390 63.196 25.960 -99.200 -91.000 TRP6 380 1.020 12.448 64.701 27.789 -99.200 -91.000 PHE 394 1.000 1.901 63.885 36.965 -99.200 -91.000 PHE 408 1.000 10.825 58.560 33.742 -99.200 -91.000 PHE 429 1.000 10.773 44.488 21.349 -99.200 -91.000 PHE 434 1.000 17.020 40.542 8.890 -99.200 -91.000 PHE 436 1.000 13.836 41.230 17.482 -99.200 -91.000 PHE 437 1.000 20.720 45.498 18.990 -99.200 -91.000 TRP 444 1.040 5.993 57.700 34.399 -99.200 -91.000 TRP6 444 1.020 4.817 59.746 34.091 -99.200 -91.000 TYR 447 0.840 -6.489 55.916 27.479 -99.200 -91.000 PHE 468 1.000 5.753 60.703 29.862 -99.200 -91.000 HIS 469 0.900 7.978 53.832 27.025 -99.200 -91.000 PHE 473 1.000 21.304 53.856 24.836 -99.200 -91.000 TRP 478 1.040 20.677 50.192 40.256 -99.200 -91.000 TRP6 478 1.020 19.409 48.505 39.206 -99.200 -91.000 HIS 482 0.900 22.977 46.567 41.754 -99.200 -91.000 PHE 489 1.000 27.247 46.531 31.770 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2odpA1 LYS 224 HA 0.13 -0.02 0.21 -0.75 4.32 3.88 2odpA1 LYS 224 HB2 -0.01 -0.11 -0.11 -0.04 1.87 1.60 2odpA1 LYS 224 HB3 -0.05 0.07 -0.17 -0.04 1.79 1.60 2odpA1 LYS 224 HG2 0.03 0.03 0.01 -0.04 1.46 1.49 2odpA1 LYS 224 HG3 0.03 -0.07 -0.04 -0.04 1.46 1.34 2odpA1 LYS 224 HD2 0.01 -0.01 -0.04 -0.04 1.69 1.61 2odpA1 LYS 224 HD3 -0.02 -0.11 -0.09 -0.04 1.68 1.42 2odpA1 LYS 224 HE2 -0.09 -0.13 -0.81 -0.04 2.99 1.91 2odpA1 LYS 224 HE3 -0.06 0.19 -0.47 -0.04 2.99 2.61 2odpA1 ILE 225 H -0.05 0.52 0.16 -0.55 8.25 8.34 2odpA1 ILE 225 HA -0.02 0.11 0.71 -0.75 4.18 4.22 2odpA1 ILE 225 HB -0.23 -0.02 0.01 -0.04 1.89 1.61 2odpA1 ILE 225 HG12 0.12 0.01 -0.10 -0.04 1.49 1.47 2odpA1 ILE 225 HG13 0.02 0.02 -0.06 -0.04 1.21 1.15 2odpA1 ILE 225 HG23 -0.11 0.00 -0.21 -0.04 0.93 0.57 2odpA1 ILE 225 HD13 -0.11 -0.03 -0.13 -0.04 0.88 0.58 2odpA1 GLN 226 H -0.11 0.21 0.10 -0.55 8.47 8.13 2odpA1 GLN 226 HA -0.16 0.09 0.53 -0.75 4.36 4.07 2odpA1 GLN 226 HB2 -0.15 0.03 0.08 -0.04 2.15 2.07 2odpA1 GLN 226 HB3 -0.14 -0.04 -0.13 -0.04 2.02 1.67 2odpA1 GLN 226 HG2 -0.10 -0.08 -0.07 -0.04 2.40 2.11 2odpA1 GLN 226 HG3 -0.09 0.16 -0.11 -0.04 2.39 2.31 2odpA1 GLN 226 HE21 -0.08 -0.05 -0.02 -0.04 6.97 6.77 2odpA1 GLN 226 HE22 -0.07 -0.03 -0.04 -0.04 7.69 7.51 2odpA1 ILE 227 H -0.22 0.65 0.25 -0.55 8.25 8.37 2odpA1 ILE 227 HA -0.25 0.13 0.71 -0.75 4.18 4.02 2odpA1 ILE 227 HB -0.47 -0.04 0.11 -0.04 1.89 1.45 2odpA1 ILE 227 HG12 -0.42 0.06 -0.22 -0.04 1.49 0.87 2odpA1 ILE 227 HG13 -0.93 -0.02 -0.13 -0.04 1.21 0.09 2odpA1 ILE 227 HG23 -0.65 -0.01 -0.12 -0.04 0.93 0.12 2odpA1 ILE 227 HD13 -0.32 0.03 -0.17 -0.04 0.88 0.37 2odpA1 GLN 228 H -0.14 0.40 0.10 -0.55 8.47 8.27 2odpA1 GLN 228 HA -0.08 0.10 0.59 -0.75 4.36 4.21 2odpA1 GLN 228 HB2 -0.07 -0.14 0.02 -0.04 2.15 1.93 2odpA1 GLN 228 HB3 -0.10 0.03 -0.35 -0.04 2.02 1.56 2odpA1 GLN 228 HG2 -0.13 0.02 -0.33 -0.04 2.40 1.92 2odpA1 GLN 228 HG3 -0.09 0.21 -0.31 -0.04 2.39 2.16 2odpA1 GLN 228 HE21 -0.09 -0.07 -0.07 -0.04 6.97 6.69 2odpA1 GLN 228 HE22 -0.09 0.42 -0.06 -0.04 7.69 7.92 2odpA1 ARG 229 H -0.04 0.10 0.14 -0.55 8.46 8.11 2odpA1 ARG 229 HA -0.03 0.16 0.49 -0.75 4.34 4.21 2odpA1 ARG 229 HB2 -0.01 -0.04 0.14 -0.04 1.90 1.95 2odpA1 ARG 229 HB3 -0.01 0.00 0.04 -0.04 1.80 1.80 2odpA1 ARG 229 HG2 -0.01 -0.04 0.06 -0.04 1.67 1.64 2odpA1 ARG 229 HG3 -0.00 -0.05 0.05 -0.04 1.67 1.64 2odpA1 ARG 229 HD2 0.01 -0.01 0.03 -0.04 3.22 3.20 2odpA1 ARG 229 HD3 -0.01 0.08 -0.07 -0.04 3.22 3.19 2odpA1 SER 230 H -0.03 -0.01 -0.00 -0.55 8.46 7.87 2odpA1 SER 230 HA -0.01 0.06 0.53 -0.75 4.49 4.32 2odpA1 SER 230 HB2 -0.00 0.01 0.07 -0.04 3.95 3.99 2odpA1 SER 230 HB3 -0.01 -0.05 0.08 -0.04 3.93 3.91 2odpA1 GLY 231 H 0.01 0.04 0.20 -0.55 8.43 8.13 2odpA1 GLY 231 HA2 0.03 -0.06 0.28 -0.51 4.01 3.74 2odpA1 GLY 231 HA3 -0.01 0.20 0.38 -0.51 4.01 4.07 2odpA1 HIS 232 H 0.00 0.54 0.26 -0.55 8.41 8.67 2odpA1 HIS 232 HA -0.07 0.25 0.75 -0.75 4.63 4.80 2odpA1 HIS 232 HB2 -0.04 -0.03 -0.30 -0.04 3.26 2.85 2odpA1 HIS 232 HB3 -0.09 -0.05 -0.10 -0.04 3.20 2.92 2odpA1 HIS 232 HD2 -0.10 -0.05 -0.39 -0.04 6.97 6.38 2odpA1 HIS 232 HE1 -0.00 -0.03 -0.17 -0.04 7.75 7.50 2odpA1 LEU 233 H -0.57 0.54 0.31 -0.55 8.37 8.09 2odpA1 LEU 233 HA -0.17 0.29 1.04 -0.75 4.35 4.75 2odpA1 LEU 233 HB2 -0.19 0.08 0.03 -0.04 1.64 1.52 2odpA1 LEU 233 HB3 -0.27 0.01 0.18 -0.04 1.64 1.53 2odpA1 LEU 233 HG -0.15 -0.11 -0.41 -0.04 1.64 0.93 2odpA1 LEU 233 HD13 -0.09 0.04 -0.12 -0.04 0.93 0.72 2odpA1 LEU 233 HD23 -0.14 0.01 -0.13 -0.04 0.89 0.58 2odpA1 ASN 234 H -0.19 0.81 0.35 -0.55 8.53 8.96 2odpA1 ASN 234 HA -0.15 0.17 1.01 -0.75 4.76 5.04 2odpA1 ASN 234 HB2 -0.11 0.05 0.14 -0.04 2.88 2.92 2odpA1 ASN 234 HB3 -0.58 -0.10 -0.05 -0.04 2.79 2.02 2odpA1 ASN 234 HD21 0.21 0.01 -0.11 -0.04 7.03 7.09 2odpA1 ASN 234 HD22 0.42 -0.05 -0.10 -0.04 7.74 7.97 2odpA1 LEU 235 H -0.21 0.74 0.35 -0.55 8.37 8.71 2odpA1 LEU 235 HA 0.01 0.31 1.07 -0.75 4.35 4.99 2odpA1 LEU 235 HB2 -0.04 0.04 -0.04 -0.04 1.64 1.56 2odpA1 LEU 235 HB3 -0.07 0.01 0.14 -0.04 1.64 1.68 2odpA1 LEU 235 HG 0.04 -0.07 -0.32 -0.04 1.64 1.24 2odpA1 LEU 235 HD13 0.10 0.03 -0.11 -0.04 0.93 0.91 2odpA1 LEU 235 HD23 0.04 -0.01 -0.15 -0.04 0.89 0.73 2odpA1 TYR 236 H 0.30 0.74 0.40 -0.55 8.29 9.18 2odpA1 TYR 236 HA 0.08 0.13 1.06 -0.75 4.56 5.08 2odpA1 TYR 236 HB2 0.08 -0.07 0.16 -0.04 3.06 3.19 2odpA1 TYR 236 HB3 0.07 -0.05 -0.03 -0.04 2.98 2.94 2odpA1 TYR 236 HD2 0.10 0.10 -0.09 -0.04 7.15 7.23 2odpA1 TYR 236 HE2 0.22 -0.00 -0.09 -0.04 6.85 6.94 2odpA1 LEU 237 H 0.13 0.82 0.27 -0.55 8.37 9.04 2odpA1 LEU 237 HA 0.10 0.22 0.96 -0.75 4.35 4.88 2odpA1 LEU 237 HB2 0.07 0.02 0.24 -0.04 1.64 1.92 2odpA1 LEU 237 HB3 0.04 -0.05 0.04 -0.04 1.64 1.63 2odpA1 LEU 237 HG 0.06 0.05 -0.15 -0.04 1.64 1.56 2odpA1 LEU 237 HD13 0.01 -0.02 -0.06 -0.04 0.93 0.82 2odpA1 LEU 237 HD23 0.04 0.01 -0.15 -0.04 0.89 0.74 2odpA1 LEU 238 H 0.11 0.79 0.38 -0.55 8.37 9.10 2odpA1 LEU 238 HA 0.20 0.28 0.92 -0.75 4.35 4.98 2odpA1 LEU 238 HB2 0.08 0.04 0.11 -0.04 1.64 1.83 2odpA1 LEU 238 HB3 0.13 -0.10 -0.07 -0.04 1.64 1.57 2odpA1 LEU 238 HG 0.05 -0.00 -0.14 -0.04 1.64 1.51 2odpA1 LEU 238 HD13 0.11 0.03 -0.48 -0.04 0.93 0.56 2odpA1 LEU 238 HD23 -0.16 -0.00 -0.25 -0.04 0.89 0.43 2odpA1 LEU 239 H 0.24 0.73 0.41 -0.55 8.37 9.20 2odpA1 LEU 239 HA 0.01 0.16 0.97 -0.75 4.35 4.74 2odpA1 LEU 239 HB2 0.25 -0.05 0.18 -0.04 1.64 1.97 2odpA1 LEU 239 HB3 0.10 0.02 -0.02 -0.04 1.64 1.70 2odpA1 LEU 239 HG 0.08 0.06 -0.07 -0.04 1.64 1.68 2odpA1 LEU 239 HD13 -0.19 -0.00 -0.14 -0.04 0.93 0.56 2odpA1 LEU 239 HD23 -0.00 -0.03 -0.30 -0.04 0.89 0.52 2odpA1 ASP 240 H -0.07 0.63 0.39 -0.55 8.40 8.80 2odpA1 ASP 240 HA -1.40 0.10 0.58 -0.75 4.63 3.16 2odpA1 ASP 240 HB2 -0.19 0.05 0.27 -0.04 2.71 2.80 2odpA1 ASP 240 HB3 0.18 0.02 0.36 -0.04 2.70 3.21 2odpA1 ALA 241 H -0.51 0.78 0.43 -0.55 8.40 8.56 2odpA1 ALA 241 HA -0.08 0.17 0.82 -0.75 4.34 4.49 2odpA1 ALA 241 HB3 -0.57 0.00 0.06 -0.04 1.41 0.86 2odpA1 SER 242 H -0.22 -0.05 -0.04 -0.55 8.46 7.60 2odpA1 SER 242 HA -0.17 0.15 0.64 -0.75 4.49 4.36 2odpA1 SER 242 HB2 -0.04 0.16 -0.09 -0.04 3.95 3.95 2odpA1 SER 242 HB3 -0.13 -0.00 0.09 -0.04 3.93 3.84 2odpA1 GLN 243 H -0.02 0.62 0.31 -0.55 8.47 8.84 2odpA1 GLN 243 HA 0.09 0.15 0.42 -0.75 4.36 4.27 2odpA1 GLN 243 HB2 0.01 0.02 0.20 -0.04 2.15 2.34 2odpA1 GLN 243 HB3 0.03 -0.03 0.07 -0.04 2.02 2.04 2odpA1 GLN 243 HG2 0.03 -0.01 -0.00 -0.04 2.40 2.37 2odpA1 GLN 243 HG3 0.05 -0.01 0.03 -0.04 2.39 2.42 2odpA1 GLN 243 HE21 0.04 0.02 0.03 -0.04 6.97 7.02 2odpA1 GLN 243 HE22 0.03 -0.02 0.02 -0.04 7.69 7.68 2odpA1 SER 244 H 0.04 0.06 -0.19 -0.55 8.46 7.81 2odpA1 SER 244 HA 0.04 0.09 0.40 -0.75 4.49 4.28 2odpA1 SER 244 HB2 0.06 0.03 0.07 -0.04 3.95 4.07 2odpA1 SER 244 HB3 0.05 0.01 0.06 -0.04 3.93 4.01 2odpA1 VAL 245 H 0.09 0.44 -0.65 -0.55 8.24 7.56 2odpA1 VAL 245 HA 0.03 0.01 0.79 -0.75 4.13 4.21 2odpA1 VAL 245 HB 0.17 0.16 0.02 -0.04 2.12 2.43 2odpA1 VAL 245 HG13 -0.08 0.05 -0.09 -0.04 0.97 0.81 2odpA1 VAL 245 HG23 0.23 -0.03 -0.11 -0.04 0.95 0.99 2odpA1 SER 246 H -0.04 0.04 0.10 -0.55 8.46 8.01 2odpA1 SER 246 HA -0.11 0.25 0.53 -0.75 4.49 4.40 2odpA1 SER 246 HB2 -0.11 0.02 0.19 -0.04 3.95 4.01 2odpA1 SER 246 HB3 -0.06 0.14 0.14 -0.04 3.93 4.11 2odpA1 GLU 247 H -0.42 0.21 0.18 -0.55 8.60 8.03 2odpA1 GLU 247 HA -0.89 0.14 0.48 -0.75 4.29 3.27 2odpA1 GLU 247 HB2 -0.27 -0.02 0.16 -0.04 2.09 1.92 2odpA1 GLU 247 HB3 -0.22 0.05 0.02 -0.04 1.99 1.79 2odpA1 GLU 247 HG2 -1.32 0.03 0.07 -0.04 2.34 1.08 2odpA1 GLU 247 HG3 -0.39 0.04 0.08 -0.04 2.34 2.03 2odpA1 ASN 248 H -0.16 0.05 -0.20 -0.55 8.53 7.67 2odpA1 ASN 248 HA -0.07 0.16 0.50 -0.75 4.76 4.59 2odpA1 ASN 248 HB2 -0.08 -0.04 0.09 -0.04 2.88 2.81 2odpA1 ASN 248 HB3 -0.06 0.05 0.00 -0.04 2.79 2.74 2odpA1 ASN 248 HD21 -0.04 0.06 0.02 -0.04 7.03 7.02 2odpA1 ASN 248 HD22 -0.05 0.00 0.03 -0.04 7.74 7.68 2odpA1 ASP 249 H -0.14 0.03 -0.12 -0.55 8.40 7.62 2odpA1 ASP 249 HA -0.22 0.03 0.56 -0.75 4.63 4.25 2odpA1 ASP 249 HB2 -0.24 0.19 0.07 -0.04 2.71 2.69 2odpA1 ASP 249 HB3 -0.43 0.06 0.05 -0.04 2.70 2.34 2odpA1 PHE 250 H -0.08 0.53 -0.24 -0.55 8.34 7.99 2odpA1 PHE 250 HA -0.32 0.05 0.40 -0.75 4.62 4.00 2odpA1 PHE 250 HB2 0.08 0.11 0.06 -0.04 3.15 3.36 2odpA1 PHE 250 HB3 -0.06 0.10 0.10 -0.04 3.06 3.16 2odpA1 PHE 250 HD2 0.17 0.12 -0.08 -0.04 7.28 7.45 2odpA1 PHE 250 HE2 0.12 0.12 -0.27 -0.04 7.38 7.31 2odpA1 PHE 250 HZ 0.13 0.02 -0.19 -0.04 7.32 7.24 2odpA1 LEU 251 H -0.00 0.35 -0.22 -0.55 8.37 7.95 2odpA1 LEU 251 HA -0.04 0.09 0.57 -0.75 4.35 4.21 2odpA1 LEU 251 HB2 -0.04 0.13 0.22 -0.04 1.64 1.91 2odpA1 LEU 251 HB3 -0.02 -0.03 0.03 -0.04 1.64 1.58 2odpA1 LEU 251 HG 0.05 0.09 0.12 -0.04 1.64 1.86 2odpA1 LEU 251 HD13 -0.01 -0.03 0.02 -0.04 0.93 0.87 2odpA1 LEU 251 HD23 0.04 0.01 0.07 -0.04 0.89 0.96 2odpA1 ILE 252 H -0.11 0.39 -0.16 -0.55 8.25 7.82 2odpA1 ILE 252 HA -0.01 -0.02 0.47 -0.75 4.18 3.87 2odpA1 ILE 252 HB -0.11 0.24 0.22 -0.04 1.89 2.20 2odpA1 ILE 252 HG12 -0.06 0.16 0.15 -0.04 1.49 1.70 2odpA1 ILE 252 HG13 -0.05 -0.09 0.10 -0.04 1.21 1.13 2odpA1 ILE 252 HG23 0.06 -0.04 -0.16 -0.04 0.93 0.75 2odpA1 ILE 252 HD13 -0.01 -0.02 0.06 -0.04 0.88 0.87 2odpA1 PHE 253 H -0.16 0.60 -0.03 -0.55 8.34 8.20 2odpA1 PHE 253 HA -0.06 -0.03 0.53 -0.75 4.62 4.31 2odpA1 PHE 253 HB2 -0.35 0.22 0.18 -0.04 3.15 3.16 2odpA1 PHE 253 HB3 -0.17 -0.05 0.01 -0.04 3.06 2.81 2odpA1 PHE 253 HD2 0.04 0.00 0.00 -0.04 7.28 7.28 2odpA1 PHE 253 HE2 0.07 0.09 0.05 -0.04 7.38 7.54 2odpA1 PHE 253 HZ 0.07 -0.14 -0.19 -0.04 7.32 7.02 2odpA1 LYS 254 H -0.16 0.59 -0.14 -0.55 8.42 8.15 2odpA1 LYS 254 HA -0.10 0.01 0.43 -0.75 4.32 3.91 2odpA1 LYS 254 HB2 -0.11 0.06 0.22 -0.04 1.87 2.01 2odpA1 LYS 254 HB3 -0.06 -0.01 0.00 -0.04 1.79 1.68 2odpA1 LYS 254 HG2 -0.17 0.02 0.04 -0.04 1.46 1.31 2odpA1 LYS 254 HG3 -0.69 0.00 0.03 -0.04 1.46 0.76 2odpA1 LYS 254 HD2 0.20 0.01 0.02 -0.04 1.69 1.87 2odpA1 LYS 254 HD3 0.02 -0.12 0.02 -0.04 1.68 1.56 2odpA1 LYS 254 HE2 0.02 -0.13 0.04 -0.04 2.99 2.87 2odpA1 LYS 254 HE3 0.06 0.36 0.16 -0.04 2.99 3.52 2odpA1 GLU 255 H -0.03 0.56 -0.11 -0.55 8.60 8.48 2odpA1 GLU 255 HA -0.02 0.04 0.45 -0.75 4.29 4.01 2odpA1 GLU 255 HB2 -0.01 0.06 0.13 -0.04 2.09 2.23 2odpA1 GLU 255 HB3 0.00 0.07 0.21 -0.04 1.99 2.23 2odpA1 GLU 255 HG2 -0.00 -0.03 -0.23 -0.04 2.34 2.04 2odpA1 GLU 255 HG3 -0.01 0.03 0.03 -0.04 2.34 2.35 2odpA1 SER 256 H 0.02 0.64 -0.08 -0.55 8.46 8.49 2odpA1 SER 256 HA -0.03 -0.02 0.46 -0.75 4.49 4.15 2odpA1 SER 256 HB2 0.03 0.13 0.17 -0.04 3.95 4.24 2odpA1 SER 256 HB3 -0.03 -0.02 -0.02 -0.04 3.93 3.82 2odpA1 ALA 257 H -0.03 0.66 -0.10 -0.55 8.40 8.39 2odpA1 ALA 257 HA -0.08 0.00 0.38 -0.75 4.34 3.89 2odpA1 ALA 257 HB3 -0.03 0.02 0.06 -0.04 1.41 1.42 2odpA1 SER 258 H -0.02 0.65 -0.14 -0.55 8.46 8.40 2odpA1 SER 258 HA 0.01 0.00 0.42 -0.75 4.49 4.17 2odpA1 SER 258 HB2 -0.01 0.08 0.15 -0.04 3.95 4.13 2odpA1 SER 258 HB3 0.00 -0.05 0.02 -0.04 3.93 3.86 2odpA1 LEU 259 H -0.02 0.52 -0.15 -0.55 8.37 8.17 2odpA1 LEU 259 HA 0.10 0.01 0.46 -0.75 4.35 4.17 2odpA1 LEU 259 HB2 0.02 -0.02 0.10 -0.04 1.64 1.70 2odpA1 LEU 259 HB3 -0.05 0.13 0.14 -0.04 1.64 1.82 2odpA1 LEU 259 HG 0.21 -0.01 0.01 -0.04 1.64 1.81 2odpA1 LEU 259 HD13 0.00 -0.02 -0.03 -0.04 0.93 0.84 2odpA1 LEU 259 HD23 0.01 0.00 -0.31 -0.04 0.89 0.55 2odpA1 MET 260 H -0.18 0.50 -0.20 -0.55 8.47 8.04 2odpA1 MET 260 HA -0.69 0.03 0.31 -0.75 4.52 3.42 2odpA1 MET 260 HB2 -0.30 0.07 0.08 -0.04 2.15 1.96 2odpA1 MET 260 HB3 -0.66 -0.01 -0.06 -0.04 2.03 1.27 2odpA1 MET 260 HG2 -1.78 -0.02 -0.08 -0.04 2.63 0.71 2odpA1 MET 260 HG3 -0.49 0.14 -0.04 -0.04 2.56 2.13 2odpA1 MET 260 HE3 -0.13 -0.01 -0.22 -0.04 2.10 1.70 2odpA1 VAL 261 H -0.03 0.56 -0.12 -0.55 8.24 8.10 2odpA1 VAL 261 HA 0.15 0.03 0.45 -0.75 4.13 4.01 2odpA1 VAL 261 HB 0.07 0.09 0.13 -0.04 2.12 2.38 2odpA1 VAL 261 HG13 0.22 -0.02 -0.18 -0.04 0.97 0.96 2odpA1 VAL 261 HG23 0.07 0.03 -0.06 -0.04 0.95 0.95 2odpA1 ASP 262 H 0.11 0.67 -0.10 -0.55 8.40 8.53 2odpA1 ASP 262 HA 0.19 -0.01 0.36 -0.75 4.63 4.41 2odpA1 ASP 262 HB2 0.13 0.03 0.12 -0.04 2.71 2.95 2odpA1 ASP 262 HB3 0.37 0.07 0.14 -0.04 2.70 3.24 2odpA1 ARG 263 H 0.10 0.57 -0.21 -0.55 8.46 8.37 2odpA1 ARG 263 HA -0.31 0.05 0.31 -0.75 4.34 3.63 2odpA1 ARG 263 HB2 -0.34 -0.03 0.06 -0.04 1.90 1.54 2odpA1 ARG 263 HB3 0.21 0.03 0.08 -0.04 1.80 2.08 2odpA1 ARG 263 HG2 0.07 -0.07 -0.09 -0.04 1.67 1.54 2odpA1 ARG 263 HG3 0.19 0.04 -0.25 -0.04 1.67 1.61 2odpA1 ARG 263 HD2 -0.48 0.05 0.06 -0.04 3.22 2.81 2odpA1 ARG 263 HD3 -1.41 -0.07 -0.01 -0.04 3.22 1.70 2odpA1 ILE 264 H 0.19 0.60 -0.09 -0.55 8.25 8.39 2odpA1 ILE 264 HA 0.21 0.03 0.45 -0.75 4.18 4.11 2odpA1 ILE 264 HB 0.18 0.16 0.12 -0.04 1.89 2.31 2odpA1 ILE 264 HG12 -0.05 -0.05 -0.10 -0.04 1.49 1.25 2odpA1 ILE 264 HG13 -0.09 -0.00 -0.05 -0.04 1.21 1.03 2odpA1 ILE 264 HG23 -0.11 0.02 -0.05 -0.04 0.93 0.75 2odpA1 ILE 264 HD13 0.05 -0.01 -0.10 -0.04 0.88 0.79 2odpA1 PHE 265 H 0.30 0.60 -0.22 -0.55 8.34 8.47 2odpA1 PHE 265 HA 0.06 0.03 0.48 -0.75 4.62 4.44 2odpA1 PHE 265 HB2 0.05 0.14 0.11 -0.04 3.15 3.41 2odpA1 PHE 265 HB3 0.04 -0.05 0.12 -0.04 3.06 3.12 2odpA1 PHE 265 HD2 0.03 0.13 0.03 -0.04 7.28 7.44 2odpA1 PHE 265 HE2 0.02 0.08 -0.07 -0.04 7.38 7.36 2odpA1 PHE 265 HZ 0.01 0.09 -0.25 -0.04 7.32 7.13 2odpA1 SER 266 H 0.09 0.41 -0.59 -0.55 8.46 7.82 2odpA1 SER 266 HA 0.04 0.08 0.35 -0.75 4.49 4.20 2odpA1 SER 266 HB2 -0.12 0.07 0.11 -0.04 3.95 3.97 2odpA1 SER 266 HB3 0.11 -0.03 0.06 -0.04 3.93 4.04 2odpA1 PHE 267 H 0.15 0.25 -0.37 -0.55 8.34 7.82 2odpA1 PHE 267 HA 0.00 0.18 0.51 -0.75 4.62 4.56 2odpA1 PHE 267 HB2 -0.06 0.05 0.03 -0.04 3.15 3.12 2odpA1 PHE 267 HB3 -0.04 -0.06 0.03 -0.04 3.06 2.94 2odpA1 PHE 267 HD2 -0.05 0.07 -0.00 -0.04 7.28 7.27 2odpA1 PHE 267 HE2 -0.08 -0.02 -0.08 -0.04 7.38 7.15 2odpA1 PHE 267 HZ -0.12 -0.04 -0.03 -0.04 7.32 7.09 2odpA1 GLU 268 H 0.10 0.32 -0.28 -0.55 8.60 8.19 2odpA1 GLU 268 HA 0.08 0.05 0.28 -0.75 4.29 3.95 2odpA1 GLU 268 HB2 0.06 0.13 0.02 -0.04 2.09 2.26 2odpA1 GLU 268 HB3 0.05 -0.10 0.19 -0.04 1.99 2.09 2odpA1 GLU 268 HG2 0.06 -0.00 -0.02 -0.04 2.34 2.33 2odpA1 GLU 268 HG3 0.05 0.13 -0.24 -0.04 2.34 2.24 2odpA1 ILE 269 H 0.04 0.04 -0.28 -0.55 8.25 7.50 2odpA1 ILE 269 HA -0.02 0.18 0.72 -0.75 4.18 4.30 2odpA1 ILE 269 HB -0.11 0.07 0.02 -0.04 1.89 1.83 2odpA1 ILE 269 HG12 -0.02 -0.00 -0.08 -0.04 1.49 1.34 2odpA1 ILE 269 HG13 -0.11 -0.06 -0.17 -0.04 1.21 0.83 2odpA1 ILE 269 HG23 -0.04 -0.01 -0.21 -0.04 0.93 0.63 2odpA1 ILE 269 HD13 -0.19 0.02 -0.19 -0.04 0.88 0.48 2odpA1 ASN 270 H -0.11 0.26 0.10 -0.55 8.53 8.23 2odpA1 ASN 270 HA -0.08 0.07 0.57 -0.75 4.76 4.56 2odpA1 ASN 270 HB2 -0.09 0.19 0.27 -0.04 2.88 3.21 2odpA1 ASN 270 HB3 -0.02 -0.06 0.11 -0.04 2.79 2.78 2odpA1 ASN 270 HD21 0.04 -0.09 0.05 -0.04 7.03 6.99 2odpA1 ASN 270 HD22 0.04 0.21 0.12 -0.04 7.74 8.07 2odpA1 VAL 271 H -0.21 0.27 0.25 -0.55 8.24 8.01 2odpA1 VAL 271 HA -0.51 0.26 0.95 -0.75 4.13 4.07 2odpA1 VAL 271 HB -0.34 0.02 -0.28 -0.04 2.12 1.48 2odpA1 VAL 271 HG13 -0.82 0.04 -0.12 -0.04 0.97 0.02 2odpA1 VAL 271 HG23 -0.29 -0.02 -0.18 -0.04 0.95 0.42 2odpA1 SER 272 H -0.12 0.69 0.42 -0.55 8.46 8.90 2odpA1 SER 272 HA 0.09 0.32 0.82 -0.75 4.49 4.97 2odpA1 SER 272 HB2 0.07 -0.08 0.07 -0.04 3.95 3.97 2odpA1 SER 272 HB3 0.08 -0.05 -0.04 -0.04 3.93 3.87 2odpA1 VAL 273 H 0.09 0.59 0.22 -0.55 8.24 8.59 2odpA1 VAL 273 HA -0.06 0.30 1.23 -0.75 4.13 4.84 2odpA1 VAL 273 HB 0.15 -0.04 0.08 -0.04 2.12 2.26 2odpA1 VAL 273 HG13 0.06 -0.02 -0.19 -0.04 0.97 0.78 2odpA1 VAL 273 HG23 0.10 0.01 -0.19 -0.04 0.95 0.82 2odpA1 ALA 274 H -0.13 0.66 0.33 -0.55 8.40 8.72 2odpA1 ALA 274 HA 0.06 0.17 0.82 -0.75 4.34 4.64 2odpA1 ALA 274 HB3 0.12 -0.05 0.09 -0.04 1.41 1.54 2odpA1 ILE 275 H 0.09 0.38 0.30 -0.55 8.25 8.47 2odpA1 ILE 275 HA 0.11 0.31 1.08 -0.75 4.18 4.92 2odpA1 ILE 275 HB 0.09 -0.12 0.04 -0.04 1.89 1.85 2odpA1 ILE 275 HG12 0.07 -0.05 -0.44 -0.04 1.49 1.03 2odpA1 ILE 275 HG13 0.07 0.05 -0.16 -0.04 1.21 1.12 2odpA1 ILE 275 HG23 0.10 0.01 -0.14 -0.04 0.93 0.85 2odpA1 ILE 275 HD13 0.06 0.04 -0.14 -0.04 0.88 0.81 2odpA1 ILE 276 H 0.15 0.76 0.37 -0.55 8.25 8.98 2odpA1 ILE 276 HA 0.15 0.22 1.12 -0.75 4.18 4.92 2odpA1 ILE 276 HB 0.15 -0.03 0.04 -0.04 1.89 2.02 2odpA1 ILE 276 HG12 0.12 -0.01 -0.13 -0.04 1.49 1.43 2odpA1 ILE 276 HG13 0.15 -0.05 -0.48 -0.04 1.21 0.79 2odpA1 ILE 276 HG23 0.15 -0.01 -0.24 -0.04 0.93 0.79 2odpA1 ILE 276 HD13 0.10 -0.00 -0.19 -0.04 0.88 0.75 2odpA1 THR 277 H 0.23 0.55 0.38 -0.55 8.28 8.88 2odpA1 THR 277 HA 0.26 0.25 1.13 -0.75 4.39 5.28 2odpA1 THR 277 HB 0.27 0.01 0.09 -0.04 4.32 4.64 2odpA1 THR 277 HG23 0.36 -0.00 -0.10 -0.04 1.22 1.44 2odpA1 PHE 278 H -0.17 0.55 0.35 -0.55 8.34 8.51 2odpA1 PHE 278 HA -0.16 0.28 0.88 -0.75 4.62 4.86 2odpA1 PHE 278 HB2 -0.01 0.02 -0.21 -0.04 3.15 2.91 2odpA1 PHE 278 HB3 0.01 0.02 -0.42 -0.04 3.06 2.63 2odpA1 PHE 278 HD2 0.01 0.09 -0.40 -0.04 7.28 6.94 2odpA1 PHE 278 HE2 0.01 0.02 -0.33 -0.04 7.38 7.04 2odpA1 PHE 278 HZ 0.02 -0.06 -0.13 -0.04 7.32 7.10 2odpA1 ALA 279 H -0.06 0.45 -0.06 -0.55 8.40 8.18 2odpA1 ALA 279 HA -0.16 -0.02 0.44 -0.75 4.34 3.84 2odpA1 ALA 279 HB3 -0.19 0.06 0.12 -0.04 1.41 1.35 2odpA1 SER 280 H 0.04 0.67 0.21 -0.55 8.46 8.84 2odpA1 SER 280 HA 0.08 -0.09 0.34 -0.75 4.49 4.06 2odpA1 SER 280 HB2 0.07 0.11 0.14 -0.04 3.95 4.23 2odpA1 SER 280 HB3 0.06 0.05 -0.02 -0.04 3.93 3.98 2odpA1 GLU 281 H 0.16 0.18 -0.05 -0.55 8.60 8.34 2odpA1 GLU 281 HA 0.11 0.16 0.57 -0.75 4.29 4.38 2odpA1 GLU 281 HB2 0.11 -0.03 -0.02 -0.04 2.09 2.11 2odpA1 GLU 281 HB3 0.09 0.16 0.05 -0.04 1.99 2.25 2odpA1 GLU 281 HG2 0.07 0.06 0.03 -0.04 2.34 2.46 2odpA1 GLU 281 HG3 0.07 -0.12 -0.43 -0.04 2.34 1.81 2odpA1 PRO 282 HA 0.25 0.22 0.78 -0.51 4.44 5.19 2odpA1 PRO 282 HB2 0.10 0.03 -0.13 -0.04 2.28 2.24 2odpA1 PRO 282 HB3 0.07 -0.06 -0.03 -0.04 2.02 1.96 2odpA1 PRO 282 HG2 0.07 0.03 0.03 -0.04 2.03 2.11 2odpA1 PRO 282 HG3 0.02 0.22 -0.09 -0.04 2.03 2.14 2odpA1 PRO 282 HD2 0.09 0.11 0.18 -0.04 3.68 4.01 2odpA1 PRO 282 HD3 0.08 0.06 -0.02 -0.04 3.65 3.72 2odpA1 LYS 283 H 0.26 0.84 0.38 -0.55 8.42 9.35 2odpA1 LYS 283 HA 0.10 0.14 0.84 -0.75 4.32 4.64 2odpA1 LYS 283 HB2 0.06 0.02 -0.12 -0.04 1.87 1.79 2odpA1 LYS 283 HB3 0.17 -0.08 0.11 -0.04 1.79 1.95 2odpA1 LYS 283 HG2 0.05 0.07 -0.17 -0.04 1.46 1.37 2odpA1 LYS 283 HG3 0.01 0.02 0.02 -0.04 1.46 1.46 2odpA1 LYS 283 HD2 -0.14 0.00 -0.05 -0.04 1.69 1.46 2odpA1 LYS 283 HD3 0.01 -0.03 -0.06 -0.04 1.68 1.55 2odpA1 LYS 283 HE2 0.02 0.05 -0.05 -0.04 2.99 2.97 2odpA1 LYS 283 HE3 -0.01 0.00 -0.01 -0.04 2.99 2.92 2odpA1 VAL 284 H 0.08 0.18 0.08 -0.55 8.24 8.03 2odpA1 VAL 284 HA 0.11 0.13 0.80 -0.75 4.13 4.41 2odpA1 VAL 284 HB 0.07 -0.00 0.13 -0.04 2.12 2.27 2odpA1 VAL 284 HG13 0.08 0.02 -0.25 -0.04 0.97 0.77 2odpA1 VAL 284 HG23 0.08 0.00 -0.08 -0.04 0.95 0.91 2odpA1 LEU 285 H 0.11 0.62 0.42 -0.55 8.37 8.97 2odpA1 LEU 285 HA 0.07 0.12 0.76 -0.75 4.35 4.54 2odpA1 LEU 285 HB2 0.10 -0.00 -0.03 -0.04 1.64 1.66 2odpA1 LEU 285 HB3 0.08 0.06 0.03 -0.04 1.64 1.77 2odpA1 LEU 285 HG 0.13 -0.02 -0.09 -0.04 1.64 1.63 2odpA1 LEU 285 HD13 0.15 0.02 -0.09 -0.04 0.93 0.96 2odpA1 LEU 285 HD23 0.08 0.01 -0.16 -0.04 0.89 0.78 2odpA1 MET 286 H 0.09 0.38 0.23 -0.55 8.47 8.62 2odpA1 MET 286 HA 0.06 0.08 0.62 -0.75 4.52 4.53 2odpA1 MET 286 HB2 0.06 0.09 -0.12 -0.04 2.15 2.14 2odpA1 MET 286 HB3 0.07 -0.15 0.09 -0.04 2.03 2.01 2odpA1 MET 286 HG2 0.06 0.09 -0.02 -0.04 2.63 2.72 2odpA1 MET 286 HG3 0.06 0.09 -0.15 -0.04 2.56 2.52 2odpA1 MET 286 HE3 0.04 0.03 -0.23 -0.04 2.10 1.89 2odpA1 SER 287 H 0.06 0.18 0.15 -0.55 8.46 8.31 2odpA1 SER 287 HA 0.10 0.18 0.91 -0.75 4.49 4.92 2odpA1 SER 287 HB2 0.07 0.08 -0.01 -0.04 3.95 4.05 2odpA1 SER 287 HB3 0.06 -0.01 0.07 -0.04 3.93 4.01 2odpA1 VAL 288 H 0.10 0.17 0.08 -0.55 8.24 8.04 2odpA1 VAL 288 HA 0.05 0.18 0.43 -0.75 4.13 4.04 2odpA1 VAL 288 HB 0.05 0.10 -0.02 -0.04 2.12 2.21 2odpA1 VAL 288 HG13 -0.15 -0.00 -0.21 -0.04 0.97 0.57 2odpA1 VAL 288 HG23 0.20 0.00 -0.14 -0.04 0.95 0.98 2odpA1 LEU 289 H 0.07 -0.03 -0.25 -0.55 8.37 7.61 2odpA1 LEU 289 HA 0.05 0.18 0.50 -0.75 4.35 4.33 2odpA1 LEU 289 HB2 0.04 -0.09 -0.04 -0.04 1.64 1.52 2odpA1 LEU 289 HB3 0.03 0.04 -0.04 -0.04 1.64 1.62 2odpA1 LEU 289 HG 0.03 -0.01 -0.04 -0.04 1.64 1.57 2odpA1 LEU 289 HD13 0.01 0.01 -0.20 -0.04 0.93 0.71 2odpA1 LEU 289 HD23 0.07 0.01 -0.02 -0.04 0.89 0.91 2odpA1 ASN 290 H 0.05 0.17 -0.40 -0.55 8.53 7.80 2odpA1 ASN 290 HA 0.03 0.07 0.57 -0.75 4.76 4.68 2odpA1 ASN 290 HB2 0.04 -0.03 0.07 -0.04 2.88 2.92 2odpA1 ASN 290 HB3 0.05 0.21 0.16 -0.04 2.79 3.17 2odpA1 ASN 290 HD21 0.03 0.03 0.02 -0.04 7.03 7.07 2odpA1 ASN 290 HD22 0.04 0.02 0.04 -0.04 7.74 7.79 2odpA1 ASP 291 H 0.03 0.16 0.17 -0.55 8.40 8.21 2odpA1 ASP 291 HA 0.05 0.20 0.41 -0.75 4.63 4.53 2odpA1 ASP 291 HB2 0.03 -0.05 0.12 -0.04 2.71 2.77 2odpA1 ASP 291 HB3 0.04 0.03 0.04 -0.04 2.70 2.76 2odpA1 ASN 292 H 0.04 0.06 -0.15 -0.55 8.53 7.92 2odpA1 ASN 292 HA 0.03 0.08 0.53 -0.75 4.76 4.65 2odpA1 ASN 292 HB2 0.03 -0.00 0.03 -0.04 2.88 2.89 2odpA1 ASN 292 HB3 0.03 0.02 0.04 -0.04 2.79 2.83 2odpA1 ASN 292 HD21 0.02 0.02 0.03 -0.04 7.03 7.05 2odpA1 ASN 292 HD22 0.02 0.04 0.03 -0.04 7.74 7.79 2odpA1 SER 293 H 0.06 0.48 -0.59 -0.55 8.46 7.86 2odpA1 SER 293 HA 0.08 0.08 0.46 -0.75 4.49 4.36 2odpA1 SER 293 HB2 0.06 0.03 -0.01 -0.04 3.95 3.99 2odpA1 SER 293 HB3 0.06 0.10 0.05 -0.04 3.93 4.10 2odpA1 ARG 294 H 0.10 0.37 -0.40 -0.55 8.46 7.97 2odpA1 ARG 294 HA 0.25 0.39 0.84 -0.75 4.34 5.06 2odpA1 ARG 294 HB2 0.11 0.07 0.12 -0.04 1.90 2.16 2odpA1 ARG 294 HB3 0.16 -0.01 0.18 -0.04 1.80 2.08 2odpA1 ARG 294 HG2 0.18 0.10 -0.12 -0.04 1.67 1.79 2odpA1 ARG 294 HG3 0.11 -0.03 -0.05 -0.04 1.67 1.65 2odpA1 ARG 294 HD2 0.16 0.00 -0.09 -0.04 3.22 3.25 2odpA1 ARG 294 HD3 0.10 -0.05 -0.01 -0.04 3.22 3.21 2odpA1 ASP 295 H 0.08 0.31 -0.33 -0.55 8.40 7.91 2odpA1 ASP 295 HA -0.03 0.17 0.79 -0.75 4.63 4.81 2odpA1 ASP 295 HB2 0.02 0.08 0.04 -0.04 2.71 2.81 2odpA1 ASP 295 HB3 -0.00 0.05 0.27 -0.04 2.70 2.98 2odpA1 MET 296 H -0.46 0.31 0.14 -0.55 8.47 7.91 2odpA1 MET 296 HA -0.95 0.10 0.24 -0.75 4.52 3.16 2odpA1 MET 296 HB2 -1.24 0.14 0.12 -0.04 2.15 1.14 2odpA1 MET 296 HB3 -0.40 -0.02 0.06 -0.04 2.03 1.63 2odpA1 MET 296 HG2 -0.31 -0.13 -0.11 -0.04 2.63 2.04 2odpA1 MET 296 HG3 -0.76 0.06 -0.04 -0.04 2.56 1.78 2odpA1 MET 296 HE3 -0.06 -0.03 -0.08 -0.04 2.10 1.89 2odpA1 THR 297 H -0.17 0.11 -0.20 -0.55 8.28 7.47 2odpA1 THR 297 HA -0.09 0.10 0.40 -0.75 4.39 4.04 2odpA1 THR 297 HB -0.05 -0.01 0.00 -0.04 4.32 4.22 2odpA1 THR 297 HG23 -0.04 0.01 0.01 -0.04 1.22 1.16 2odpA1 GLU 298 H -0.06 0.16 -0.15 -0.55 8.60 8.00 2odpA1 GLU 298 HA -0.01 0.01 0.44 -0.75 4.29 3.97 2odpA1 GLU 298 HB2 -0.00 0.45 0.25 -0.04 2.09 2.74 2odpA1 GLU 298 HB3 0.01 -0.07 0.09 -0.04 1.99 1.97 2odpA1 GLU 298 HG2 -0.02 -0.09 0.10 -0.04 2.34 2.28 2odpA1 GLU 298 HG3 0.00 -0.03 0.14 -0.04 2.34 2.41 2odpA1 VAL 299 H -0.05 0.52 -0.14 -0.55 8.24 8.02 2odpA1 VAL 299 HA 0.04 0.01 0.35 -0.75 4.13 3.77 2odpA1 VAL 299 HB -0.02 0.08 0.08 -0.04 2.12 2.22 2odpA1 VAL 299 HG13 0.11 -0.02 -0.19 -0.04 0.97 0.83 2odpA1 VAL 299 HG23 0.13 0.08 -0.01 -0.04 0.95 1.10 2odpA1 ILE 300 H -0.05 0.64 -0.04 -0.55 8.25 8.25 2odpA1 ILE 300 HA 0.01 -0.00 0.33 -0.75 4.18 3.76 2odpA1 ILE 300 HB -0.04 0.08 0.12 -0.04 1.89 2.01 2odpA1 ILE 300 HG12 -0.06 0.15 0.06 -0.04 1.49 1.60 2odpA1 ILE 300 HG13 -0.04 -0.01 -0.01 -0.04 1.21 1.11 2odpA1 ILE 300 HG23 -0.01 -0.02 -0.07 -0.04 0.93 0.78 2odpA1 ILE 300 HD13 0.02 -0.02 0.01 -0.04 0.88 0.85 2odpA1 SER 301 H -0.01 0.44 -0.39 -0.55 8.46 7.95 2odpA1 SER 301 HA 0.01 -0.01 0.47 -0.75 4.49 4.21 2odpA1 SER 301 HB2 -0.01 0.04 0.11 -0.04 3.95 4.05 2odpA1 SER 301 HB3 0.00 0.09 0.18 -0.04 3.93 4.16 2odpA1 SER 302 H 0.02 0.72 0.03 -0.55 8.46 8.68 2odpA1 SER 302 HA 0.04 -0.00 0.48 -0.75 4.49 4.26 2odpA1 SER 302 HB2 0.05 -0.02 -0.07 -0.04 3.95 3.87 2odpA1 SER 302 HB3 0.04 0.01 0.10 -0.04 3.93 4.04 2odpA1 LEU 303 H 0.04 0.56 -0.27 -0.55 8.37 8.15 2odpA1 LEU 303 HA 0.06 -0.03 0.47 -0.75 4.35 4.09 2odpA1 LEU 303 HB2 0.03 0.12 0.13 -0.04 1.64 1.88 2odpA1 LEU 303 HB3 0.02 -0.01 -0.06 -0.04 1.64 1.55 2odpA1 LEU 303 HG 0.04 -0.00 -0.07 -0.04 1.64 1.57 2odpA1 LEU 303 HD13 0.02 -0.01 -0.21 -0.04 0.93 0.69 2odpA1 LEU 303 HD23 0.01 -0.02 -0.01 -0.04 0.89 0.83 2odpA1 GLU 304 H 0.02 0.63 0.01 -0.55 8.60 8.72 2odpA1 GLU 304 HA 0.03 -0.01 0.43 -0.75 4.29 3.99 2odpA1 GLU 304 HB2 0.02 0.05 0.17 -0.04 2.09 2.29 2odpA1 GLU 304 HB3 0.02 -0.08 0.06 -0.04 1.99 1.95 2odpA1 GLU 304 HG2 0.01 -0.08 0.03 -0.04 2.34 2.26 2odpA1 GLU 304 HG3 0.01 0.16 0.10 -0.04 2.34 2.56 2odpA1 ASN 305 H 0.04 0.73 -0.13 -0.55 8.53 8.62 2odpA1 ASN 305 HA 0.05 0.00 0.51 -0.75 4.76 4.57 2odpA1 ASN 305 HB2 0.04 0.11 0.11 -0.04 2.88 3.10 2odpA1 ASN 305 HB3 0.04 -0.11 0.16 -0.04 2.79 2.84 2odpA1 ASN 305 HD21 0.02 -0.08 -0.04 -0.04 7.03 6.88 2odpA1 ASN 305 HD22 0.02 -0.02 -0.11 -0.04 7.74 7.60 2odpA1 ALA 306 H 0.10 0.44 -0.79 -0.55 8.40 7.61 2odpA1 ALA 306 HA 0.14 0.01 0.69 -0.75 4.34 4.42 2odpA1 ALA 306 HB3 0.23 0.01 0.07 -0.04 1.41 1.68 2odpA1 ASN 307 H 0.11 0.20 0.17 -0.55 8.53 8.46 2odpA1 ASN 307 HA 0.16 0.19 0.93 -0.75 4.76 5.28 2odpA1 ASN 307 HB2 0.06 0.17 0.02 -0.04 2.88 3.09 2odpA1 ASN 307 HB3 0.03 -0.07 0.11 -0.04 2.79 2.82 2odpA1 ASN 307 HD21 0.03 0.01 -0.01 -0.04 7.03 7.02 2odpA1 ASN 307 HD22 0.03 0.08 -0.02 -0.04 7.74 7.79 2odpA1 TYR 308 H 0.09 0.25 0.15 -0.55 8.29 8.23 2odpA1 TYR 308 HA -0.68 0.12 0.49 -0.75 4.56 3.74 2odpA1 TYR 308 HB2 -0.67 0.07 0.13 -0.04 3.06 2.54 2odpA1 TYR 308 HB3 -0.17 -0.05 0.14 -0.04 2.98 2.86 2odpA1 TYR 308 HD2 -0.40 -0.03 -0.14 -0.04 7.15 6.53 2odpA1 TYR 308 HE2 -0.09 0.09 -0.10 -0.04 6.85 6.71 2odpA1 LYS 309 H 0.06 0.10 -0.18 -0.55 8.42 7.86 2odpA1 LYS 309 HA -0.02 0.13 0.42 -0.75 4.32 4.10 2odpA1 LYS 309 HB2 0.02 0.04 0.01 -0.04 1.87 1.91 2odpA1 LYS 309 HB3 0.02 0.02 0.11 -0.04 1.79 1.90 2odpA1 LYS 309 HG2 0.16 0.01 -0.01 -0.04 1.46 1.58 2odpA1 LYS 309 HG3 0.09 -0.03 0.04 -0.04 1.46 1.53 2odpA1 LYS 309 HD2 0.03 0.03 0.01 -0.04 1.69 1.72 2odpA1 LYS 309 HD3 0.04 0.01 0.02 -0.04 1.68 1.71 2odpA1 LYS 309 HE2 0.02 0.02 0.01 -0.04 2.99 3.00 2odpA1 LYS 309 HE3 0.04 -0.03 0.01 -0.04 2.99 2.97 2odpA1 ASP 310 H -0.07 0.33 -0.49 -0.55 8.40 7.63 2odpA1 ASP 310 HA -0.10 0.08 0.55 -0.75 4.63 4.40 2odpA1 ASP 310 HB2 -0.13 0.20 0.09 -0.04 2.71 2.83 2odpA1 ASP 310 HB3 -0.20 -0.01 0.08 -0.04 2.70 2.53 2odpA1 HIS 311 H -0.14 0.37 -0.46 -0.55 8.41 7.63 2odpA1 HIS 311 HA -0.09 0.13 0.74 -0.75 4.63 4.66 2odpA1 HIS 311 HB2 -0.35 0.25 0.07 -0.04 3.26 3.19 2odpA1 HIS 311 HB3 -0.18 -0.04 0.14 -0.04 3.20 3.07 2odpA1 HIS 311 HD2 -0.21 0.09 -0.10 -0.04 6.97 6.71 2odpA1 HIS 311 HE1 0.06 0.10 -0.14 -0.04 7.75 7.72 2odpA1 GLU 312 H -0.07 0.49 -0.28 -0.55 8.60 8.19 2odpA1 GLU 312 HA -0.05 0.06 0.23 -0.75 4.29 3.77 2odpA1 GLU 312 HB2 -0.01 -0.04 0.10 -0.04 2.09 2.10 2odpA1 GLU 312 HB3 -0.02 0.04 0.18 -0.04 1.99 2.14 2odpA1 GLU 312 HG2 -0.04 0.04 0.05 -0.04 2.34 2.35 2odpA1 GLU 312 HG3 -0.02 -0.03 -0.18 -0.04 2.34 2.07 2odpA1 ASN 313 H -0.03 0.13 -0.35 -0.55 8.53 7.73 2odpA1 ASN 313 HA -0.00 0.21 0.85 -0.75 4.76 5.05 2odpA1 ASN 313 HB2 -0.01 0.03 -0.01 -0.04 2.88 2.85 2odpA1 ASN 313 HB3 -0.00 0.00 0.15 -0.04 2.79 2.90 2odpA1 ASN 313 HD21 -0.01 0.01 -0.03 -0.04 7.03 6.96 2odpA1 ASN 313 HD22 -0.02 0.03 -0.02 -0.04 7.74 7.69 2odpA1 GLY 314 H 0.01 0.48 -0.42 -0.55 8.43 7.94 2odpA1 GLY 314 HA2 0.02 0.09 0.53 -0.51 4.01 4.14 2odpA1 GLY 314 HA3 0.04 -0.01 0.44 -0.51 4.01 3.97 2odpA1 THR 315 H 0.00 0.19 0.01 -0.55 8.28 7.94 2odpA1 THR 315 HA -0.05 0.28 0.71 -0.75 4.39 4.58 2odpA1 THR 315 HB -0.02 -0.13 0.25 -0.04 4.32 4.37 2odpA1 THR 315 HG23 -0.03 0.06 -0.04 -0.04 1.22 1.16 2odpA1 GLY 316 H 0.02 0.03 -0.22 -0.55 8.43 7.71 2odpA1 GLY 316 HA2 0.02 0.14 0.55 -0.51 4.01 4.21 2odpA1 GLY 316 HA3 0.03 0.05 0.23 -0.51 4.01 3.82 2odpA1 THR 317 H 0.06 0.16 -0.02 -0.55 8.28 7.93 2odpA1 THR 317 HA 0.10 0.23 0.73 -0.75 4.39 4.69 2odpA1 THR 317 HB 0.09 0.02 0.23 -0.04 4.32 4.63 2odpA1 THR 317 HG23 0.19 -0.04 -0.23 -0.04 1.22 1.09 2odpA1 ASN 318 H 0.20 0.93 -0.05 -0.55 8.53 9.06 2odpA1 ASN 318 HA 0.11 0.27 0.74 -0.75 4.76 5.12 2odpA1 ASN 318 HB2 0.10 -0.03 0.00 -0.04 2.88 2.92 2odpA1 ASN 318 HB3 0.13 0.12 0.07 -0.04 2.79 3.07 2odpA1 ASN 318 HD21 0.13 -0.00 0.04 -0.04 7.03 7.16 2odpA1 ASN 318 HD22 0.09 0.29 0.08 -0.04 7.74 8.17 2odpA1 THR 319 H 0.10 0.28 0.08 -0.55 8.28 8.19 2odpA1 THR 319 HA -0.39 0.08 0.28 -0.75 4.39 3.61 2odpA1 THR 319 HB 0.01 0.04 0.07 -0.04 4.32 4.40 2odpA1 THR 319 HG23 -0.13 0.03 -0.09 -0.04 1.22 0.98 2odpA1 TYR 320 H 0.11 0.19 -0.14 -0.55 8.29 7.90 2odpA1 TYR 320 HA -0.08 0.03 0.43 -0.75 4.56 4.18 2odpA1 TYR 320 HB2 -0.05 0.09 -0.39 -0.04 3.06 2.68 2odpA1 TYR 320 HB3 -0.03 -0.00 -0.13 -0.04 2.98 2.78 2odpA1 TYR 320 HD2 -0.04 -0.05 -0.09 -0.04 7.15 6.93 2odpA1 TYR 320 HE2 -0.04 -0.02 -0.10 -0.04 6.85 6.65 2odpA1 ALA 321 H 0.07 0.16 -0.34 -0.55 8.40 7.74 2odpA1 ALA 321 HA -0.23 0.07 0.30 -0.75 4.34 3.72 2odpA1 ALA 321 HB3 0.09 0.05 0.05 -0.04 1.41 1.55 2odpA1 ALA 322 H -0.23 0.34 -0.25 -0.55 8.40 7.71 2odpA1 ALA 322 HA -0.13 0.03 0.44 -0.75 4.34 3.93 2odpA1 ALA 322 HB3 -0.76 0.03 -0.03 -0.04 1.41 0.61 2odpA1 LEU 323 H -0.31 0.49 -0.15 -0.55 8.37 7.85 2odpA1 LEU 323 HA -0.17 0.06 0.34 -0.75 4.35 3.83 2odpA1 LEU 323 HB2 -0.25 0.06 0.14 -0.04 1.64 1.55 2odpA1 LEU 323 HB3 -0.16 -0.01 -0.07 -0.04 1.64 1.35 2odpA1 LEU 323 HG -0.22 -0.05 -0.05 -0.04 1.64 1.28 2odpA1 LEU 323 HD13 -0.11 -0.01 -0.07 -0.04 0.93 0.70 2odpA1 LEU 323 HD23 -0.10 0.01 -0.08 -0.04 0.89 0.68 2odpA1 ASN 324 H -0.46 0.65 -0.05 -0.55 8.53 8.12 2odpA1 ASN 324 HA -0.10 0.03 0.61 -0.75 4.76 4.55 2odpA1 ASN 324 HB2 -0.77 -0.02 0.07 -0.04 2.88 2.12 2odpA1 ASN 324 HB3 -0.34 0.07 0.08 -0.04 2.79 2.56 2odpA1 ASN 324 HD21 0.08 -0.01 -0.07 -0.04 7.03 6.99 2odpA1 ASN 324 HD22 0.01 0.04 -0.12 -0.04 7.74 7.63 2odpA1 SER 325 H -0.10 0.46 -0.36 -0.55 8.46 7.92 2odpA1 SER 325 HA 0.01 0.00 0.46 -0.75 4.49 4.20 2odpA1 SER 325 HB2 -0.01 0.08 0.13 -0.04 3.95 4.12 2odpA1 SER 325 HB3 -0.01 0.16 0.05 -0.04 3.93 4.08 2odpA1 VAL 326 H -0.07 0.37 -0.20 -0.55 8.24 7.79 2odpA1 VAL 326 HA -0.06 -0.00 0.49 -0.75 4.13 3.80 2odpA1 VAL 326 HB -0.15 0.17 0.13 -0.04 2.12 2.22 2odpA1 VAL 326 HG13 -0.66 0.00 -0.16 -0.04 0.97 0.11 2odpA1 VAL 326 HG23 -0.09 0.02 -0.03 -0.04 0.95 0.81 2odpA1 TYR 327 H 0.03 0.53 -0.06 -0.55 8.29 8.24 2odpA1 TYR 327 HA -0.07 0.04 0.41 -0.75 4.56 4.19 2odpA1 TYR 327 HB2 -0.05 0.03 0.10 -0.04 3.06 3.10 2odpA1 TYR 327 HB3 -0.06 0.13 0.19 -0.04 2.98 3.20 2odpA1 TYR 327 HD2 -0.02 0.03 -0.18 -0.04 7.15 6.94 2odpA1 TYR 327 HE2 -0.06 0.05 -0.06 -0.04 6.85 6.74 2odpA1 LEU 328 H 0.03 0.52 -0.29 -0.55 8.37 8.09 2odpA1 LEU 328 HA -0.19 0.01 0.33 -0.75 4.35 3.75 2odpA1 LEU 328 HB2 0.01 0.11 0.12 -0.04 1.64 1.84 2odpA1 LEU 328 HB3 -0.01 -0.06 -0.01 -0.04 1.64 1.53 2odpA1 LEU 328 HG 0.11 0.26 0.03 -0.04 1.64 2.00 2odpA1 LEU 328 HD13 0.04 -0.02 -0.04 -0.04 0.93 0.86 2odpA1 LEU 328 HD23 0.11 -0.02 -0.03 -0.04 0.89 0.91 2odpA1 MET 329 H -0.02 0.54 -0.12 -0.55 8.47 8.32 2odpA1 MET 329 HA 0.02 -0.03 0.56 -0.75 4.52 4.32 2odpA1 MET 329 HB2 0.08 0.08 0.17 -0.04 2.15 2.44 2odpA1 MET 329 HB3 0.11 0.17 0.17 -0.04 2.03 2.44 2odpA1 MET 329 HG2 0.22 0.04 -0.11 -0.04 2.63 2.74 2odpA1 MET 329 HG3 0.12 -0.09 0.08 -0.04 2.56 2.63 2odpA1 MET 329 HE3 0.13 0.05 0.02 -0.04 2.10 2.26 2odpA1 MET 330 H -0.06 0.65 -0.14 -0.55 8.47 8.37 2odpA1 MET 330 HA 0.23 0.02 0.40 -0.75 4.52 4.42 2odpA1 MET 330 HB2 -0.16 0.11 0.13 -0.04 2.15 2.19 2odpA1 MET 330 HB3 0.18 0.02 -0.05 -0.04 2.03 2.14 2odpA1 MET 330 HG2 0.12 0.01 -0.05 -0.04 2.63 2.68 2odpA1 MET 330 HG3 -0.06 0.07 -0.03 -0.04 2.56 2.50 2odpA1 MET 330 HE3 -0.39 0.00 -0.11 -0.04 2.10 1.56 2odpA1 ASN 331 H -0.40 0.66 -0.06 -0.55 8.53 8.19 2odpA1 ASN 331 HA -0.36 0.02 0.50 -0.75 4.76 4.17 2odpA1 ASN 331 HB2 -0.71 0.08 0.12 -0.04 2.88 2.33 2odpA1 ASN 331 HB3 -0.28 0.09 0.14 -0.04 2.79 2.70 2odpA1 ASN 331 HD21 -0.10 -0.04 -0.05 -0.04 7.03 6.81 2odpA1 ASN 331 HD22 -0.13 0.02 -0.09 -0.04 7.74 7.51 2odpA1 ASN 332 H -0.14 0.60 -0.16 -0.55 8.53 8.28 2odpA1 ASN 332 HA -0.11 -0.01 0.38 -0.75 4.76 4.27 2odpA1 ASN 332 HB2 -0.04 0.09 0.23 -0.04 2.88 3.12 2odpA1 ASN 332 HB3 -0.03 -0.07 0.05 -0.04 2.79 2.70 2odpA1 ASN 332 HD21 -0.02 -0.06 -0.03 -0.04 7.03 6.88 2odpA1 ASN 332 HD22 -0.01 -0.05 -0.04 -0.04 7.74 7.60 2odpA1 GLN 333 H -0.08 0.51 -0.24 -0.55 8.47 8.11 2odpA1 GLN 333 HA -0.02 -0.00 0.26 -0.75 4.36 3.85 2odpA1 GLN 333 HB2 0.14 -0.03 0.01 -0.04 2.15 2.23 2odpA1 GLN 333 HB3 0.25 0.08 0.06 -0.04 2.02 2.37 2odpA1 GLN 333 HG2 0.29 0.01 -0.25 -0.04 2.40 2.41 2odpA1 GLN 333 HG3 0.11 -0.05 -0.06 -0.04 2.39 2.36 2odpA1 GLN 333 HE21 0.08 0.03 -0.14 -0.04 6.97 6.89 2odpA1 GLN 333 HE22 0.08 -0.01 -0.13 -0.04 7.69 7.58 2odpA1 MET 334 H -0.69 0.71 -0.01 -0.55 8.47 7.93 2odpA1 MET 334 HA -1.18 0.03 0.38 -0.75 4.52 2.99 2odpA1 MET 334 HB2 -2.04 0.15 0.11 -0.04 2.15 0.33 2odpA1 MET 334 HB3 -0.76 0.03 0.10 -0.04 2.03 1.36 2odpA1 MET 334 HG2 -0.72 -0.19 -0.10 -0.04 2.63 1.58 2odpA1 MET 334 HG3 -2.37 0.03 -0.01 -0.04 2.56 0.17 2odpA1 MET 334 HE3 -0.26 -0.03 -0.00 -0.04 2.10 1.77 2odpA1 ARG 335 H -0.31 0.57 -0.30 -0.55 8.46 7.86 2odpA1 ARG 335 HA -0.18 -0.06 0.38 -0.75 4.34 3.72 2odpA1 ARG 335 HB2 -0.16 0.02 0.11 -0.04 1.90 1.82 2odpA1 ARG 335 HB3 -0.13 0.19 0.16 -0.04 1.80 1.97 2odpA1 ARG 335 HG2 -0.07 0.01 -0.17 -0.04 1.67 1.39 2odpA1 ARG 335 HG3 -0.09 -0.06 0.02 -0.04 1.67 1.50 2odpA1 ARG 335 HD2 -0.07 -0.00 -0.02 -0.04 3.22 3.09 2odpA1 ARG 335 HD3 -0.06 -0.05 -0.02 -0.04 3.22 3.05 2odpA1 LEU 336 H -0.12 0.46 -0.11 -0.55 8.37 8.06 2odpA1 LEU 336 HA -0.05 -0.00 0.38 -0.75 4.35 3.93 2odpA1 LEU 337 H -0.08 0.41 -0.25 -0.55 8.37 7.90 2odpA1 LEU 337 HA 0.02 0.10 0.74 -0.75 4.35 4.45 2odpA1 LEU 337 HB2 0.11 0.07 -0.03 -0.04 1.64 1.75 2odpA1 LEU 337 HB3 0.13 -0.15 -0.11 -0.04 1.64 1.47 2odpA1 LEU 337 HG 0.08 0.07 -0.09 -0.04 1.64 1.65 2odpA1 LEU 337 HD13 0.24 -0.02 -0.28 -0.04 0.93 0.83 2odpA1 LEU 337 HD23 0.04 -0.01 -0.10 -0.04 0.89 0.78 2odpA1 GLY 338 H -0.12 0.71 -0.00 -0.55 8.43 8.47 2odpA1 GLY 338 HA2 -0.08 -0.01 0.44 -0.51 4.01 3.86 2odpA1 GLY 338 HA3 -0.01 0.11 0.89 -0.51 4.01 4.49 2odpA1 MET 339 H -0.15 0.18 0.14 -0.55 8.47 8.10 2odpA1 MET 339 HA -0.15 0.11 0.41 -0.75 4.52 4.14 2odpA1 MET 339 HB2 -0.11 -0.02 0.15 -0.04 2.15 2.13 2odpA1 MET 339 HB3 -0.02 -0.03 -0.01 -0.04 2.03 1.94 2odpA1 MET 339 HG2 0.04 0.04 -0.04 -0.04 2.63 2.62 2odpA1 MET 339 HG3 -0.06 0.06 0.06 -0.04 2.56 2.58 2odpA1 MET 339 HE3 -0.10 -0.01 0.01 -0.04 2.10 1.97 2odpA1 GLU 340 H 0.03 -0.01 -0.47 -0.55 8.60 7.61 2odpA1 GLU 340 HA 0.07 0.18 0.48 -0.75 4.29 4.27 2odpA1 GLU 340 HB2 0.03 0.01 0.08 -0.04 2.09 2.17 2odpA1 GLU 340 HB3 0.02 -0.05 0.01 -0.04 1.99 1.93 2odpA1 GLU 340 HG2 0.03 0.02 -0.30 -0.04 2.34 2.05 2odpA1 GLU 340 HG3 0.02 -0.02 -0.03 -0.04 2.34 2.26 2odpA1 THR 341 H 0.11 0.53 -0.16 -0.55 8.28 8.22 2odpA1 THR 341 HA 0.06 0.07 0.44 -0.75 4.39 4.21 2odpA1 THR 341 HB 0.07 -0.14 0.13 -0.04 4.32 4.33 2odpA1 THR 341 HG23 0.04 0.04 0.12 -0.04 1.22 1.39 2odpA1 MET 342 H 0.05 0.16 0.19 -0.55 8.47 8.32 2odpA1 MET 342 HA 0.04 0.14 0.51 -0.75 4.52 4.46 2odpA1 MET 342 HB2 0.03 0.03 0.13 -0.04 2.15 2.30 2odpA1 MET 342 HB3 0.03 -0.02 0.06 -0.04 2.03 2.07 2odpA1 MET 342 HG2 0.02 -0.00 0.00 -0.04 2.63 2.61 2odpA1 MET 342 HG3 0.03 0.02 -0.08 -0.04 2.56 2.49 2odpA1 MET 342 HE3 0.02 0.00 -0.02 -0.04 2.10 2.06 2odpA1 ALA 343 H 0.07 0.04 -0.17 -0.55 8.40 7.79 2odpA1 ALA 343 HA 0.04 0.10 0.39 -0.75 4.34 4.11 2odpA1 ALA 343 HB3 0.06 0.02 0.02 -0.04 1.41 1.47 2odpA1 TRP 344 H 0.24 0.13 -0.42 -0.55 7.97 7.38 2odpA1 TRP 344 HA 0.04 0.11 0.59 -0.75 4.62 4.60 2odpA1 TRP 344 HB2 0.02 -0.10 -0.13 -0.04 3.23 2.97 2odpA1 TRP 344 HB3 0.01 0.19 -0.02 -0.04 3.23 3.37 2odpA1 TRP 344 HD1 0.00 0.20 -0.04 -0.04 7.22 7.34 2odpA1 TRP 344 HE1 -0.00 0.11 -0.02 -0.04 10.20 10.25 2odpA1 TRP 344 HE3 0.07 0.00 -0.15 -0.04 7.59 7.47 2odpA1 TRP 344 HZ2 -0.04 0.06 -0.16 -0.04 7.44 7.26 2odpA1 TRP 344 HZ3 0.17 -0.08 -0.06 -0.04 7.13 7.12 2odpA1 TRP 344 HH2 -0.05 -0.11 -0.05 -0.04 7.19 6.95 2odpA1 GLN 345 H 0.09 0.49 0.03 -0.55 8.47 8.54 2odpA1 GLN 345 HA -0.37 0.12 0.31 -0.75 4.36 3.66 2odpA1 GLN 345 HB2 -0.02 -0.08 -0.02 -0.04 2.15 1.99 2odpA1 GLN 345 HB3 -0.10 -0.02 0.07 -0.04 2.02 1.93 2odpA1 GLN 345 HG2 0.15 0.20 0.02 -0.04 2.40 2.73 2odpA1 GLN 345 HG3 0.05 -0.10 -0.21 -0.04 2.39 2.09 2odpA1 GLN 345 HE21 0.09 -0.11 0.04 -0.04 6.97 6.95 2odpA1 GLN 345 HE22 0.09 -0.07 0.00 -0.04 7.69 7.67 2odpA1 GLU 346 H -0.04 0.31 -0.55 -0.55 8.60 7.77 2odpA1 GLU 346 HA 0.10 0.08 0.51 -0.75 4.29 4.22 2odpA1 GLU 346 HB2 0.04 -0.14 0.10 -0.04 2.09 2.05 2odpA1 GLU 346 HB3 0.03 -0.00 0.07 -0.04 1.99 2.04 2odpA1 GLU 346 HG2 0.01 0.21 -0.05 -0.04 2.34 2.47 2odpA1 GLU 346 HG3 0.02 -0.04 -0.41 -0.04 2.34 1.88 2odpA1 ILE 347 H -0.19 0.34 -0.38 -0.55 8.25 7.47 2odpA1 ILE 347 HA -0.08 0.11 0.57 -0.75 4.18 4.02 2odpA1 ILE 347 HB -0.43 0.05 0.07 -0.04 1.89 1.54 2odpA1 ILE 347 HG12 -0.07 -0.08 -0.08 -0.04 1.49 1.22 2odpA1 ILE 347 HG13 -0.12 0.14 0.05 -0.04 1.21 1.24 2odpA1 ILE 347 HG23 -0.48 -0.04 -0.23 -0.04 0.93 0.14 2odpA1 ILE 347 HD13 0.06 -0.05 -0.05 -0.04 0.88 0.80 2odpA1 ARG 348 H -0.18 0.76 0.53 -0.55 8.46 9.02 2odpA1 ARG 348 HA -0.04 0.21 0.96 -0.75 4.34 4.71 2odpA1 ARG 348 HB2 -0.20 -0.02 0.21 -0.04 1.90 1.85 2odpA1 ARG 348 HB3 -0.18 0.04 0.10 -0.04 1.80 1.72 2odpA1 ARG 348 HG2 -0.86 -0.00 -0.06 -0.04 1.67 0.71 2odpA1 ARG 348 HG3 -0.47 0.05 -0.11 -0.04 1.67 1.10 2odpA1 ARG 348 HD2 -0.26 -0.01 0.03 -0.04 3.22 2.94 2odpA1 ARG 348 HD3 -0.42 -0.10 -0.05 -0.04 3.22 2.61 2odpA1 HIS 349 H 0.12 0.57 0.14 -0.55 8.41 8.70 2odpA1 HIS 349 HA 0.18 0.20 0.94 -0.75 4.63 5.20 2odpA1 HIS 349 HB2 0.10 0.13 0.21 -0.04 3.26 3.66 2odpA1 HIS 349 HB3 0.24 -0.13 -0.03 -0.04 3.20 3.24 2odpA1 HIS 349 HD2 -0.01 0.26 0.02 -0.04 6.97 7.20 2odpA1 HIS 349 HE1 0.02 -0.08 -0.10 -0.04 7.75 7.55 2odpA1 ALA 350 H 0.27 0.66 0.39 -0.55 8.40 9.18 2odpA1 ALA 350 HA 0.21 0.24 1.03 -0.75 4.34 5.07 2odpA1 ALA 350 HB3 0.14 -0.01 -0.01 -0.04 1.41 1.50 2odpA1 ILE 351 H 0.21 0.81 0.44 -0.55 8.25 9.16 2odpA1 ILE 351 HA 0.28 0.15 1.11 -0.75 4.18 4.97 2odpA1 ILE 351 HB 0.07 -0.02 0.19 -0.04 1.89 2.08 2odpA1 ILE 351 HG12 -0.12 -0.03 -0.06 -0.04 1.49 1.24 2odpA1 ILE 351 HG13 0.08 0.04 -0.21 -0.04 1.21 1.08 2odpA1 ILE 351 HG23 0.04 -0.02 -0.13 -0.04 0.93 0.78 2odpA1 ILE 351 HD13 -0.10 -0.01 -0.08 -0.04 0.88 0.65 2odpA1 ILE 352 H 0.17 0.76 0.34 -0.55 8.25 8.97 2odpA1 ILE 352 HA 0.22 0.27 1.05 -0.75 4.18 4.96 2odpA1 ILE 352 HB 0.09 -0.05 0.07 -0.04 1.89 1.97 2odpA1 ILE 352 HG12 0.24 0.08 -0.21 -0.04 1.49 1.55 2odpA1 ILE 352 HG13 0.18 -0.03 -0.43 -0.04 1.21 0.89 2odpA1 ILE 352 HG23 0.08 -0.02 -0.24 -0.04 0.93 0.71 2odpA1 ILE 352 HD13 0.09 0.00 -0.15 -0.04 0.88 0.78 2odpA1 LEU 353 H 0.11 0.79 0.35 -0.55 8.37 9.08 2odpA1 LEU 353 HA 0.09 0.24 1.07 -0.75 4.35 5.00 2odpA1 LEU 353 HB2 0.06 -0.03 0.20 -0.04 1.64 1.83 2odpA1 LEU 353 HB3 0.11 -0.08 -0.03 -0.04 1.64 1.60 2odpA1 LEU 353 HG 0.00 0.02 -0.14 -0.04 1.64 1.48 2odpA1 LEU 353 HD13 0.00 0.04 -0.11 -0.04 0.93 0.82 2odpA1 LEU 353 HD23 -0.15 -0.03 -0.09 -0.04 0.89 0.58 2odpA1 LEU 354 H -0.04 0.70 0.33 -0.55 8.37 8.80 2odpA1 LEU 354 HA -0.26 0.37 0.99 -0.75 4.35 4.71 2odpA1 LEU 354 HB2 -0.49 -0.05 0.27 -0.04 1.64 1.32 2odpA1 LEU 354 HB3 -1.10 -0.04 0.16 -0.04 1.64 0.61 2odpA1 LEU 354 HG -0.10 0.01 -0.18 -0.04 1.64 1.33 2odpA1 LEU 354 HD13 -0.08 -0.00 -0.02 -0.04 0.93 0.79 2odpA1 LEU 354 HD23 -0.08 0.02 -0.03 -0.04 0.89 0.76 2odpA1 THR 355 H -0.15 0.64 0.23 -0.55 8.28 8.44 2odpA1 THR 355 HA 0.05 0.09 0.69 -0.75 4.39 4.47 2odpA1 THR 355 HB 0.24 0.16 -0.27 -0.04 4.32 4.42 2odpA1 THR 355 HG23 0.09 0.04 -0.29 -0.04 1.22 1.03 2odpA1 ASP 356 H 0.18 0.12 0.11 -0.55 8.40 8.26 2odpA1 ASP 356 HA 0.17 0.21 0.68 -0.75 4.63 4.94 2odpA1 ASP 356 HB2 0.12 0.32 0.21 -0.04 2.71 3.32 2odpA1 ASP 356 HB3 0.18 0.02 -0.01 -0.04 2.70 2.85 2odpA1 GLY 357 H 0.13 -0.01 -0.22 -0.55 8.43 7.79 2odpA1 GLY 357 HA2 0.08 0.04 0.17 -0.51 4.01 3.80 2odpA1 GLY 357 HA3 0.06 0.16 0.31 -0.51 4.01 4.04 2odpA1 LYS 358 H 0.10 -0.01 -0.23 -0.55 8.42 7.73 2odpA1 LYS 358 HA 0.06 0.28 0.87 -0.75 4.32 4.77 2odpA1 LYS 358 HB2 0.07 -0.08 0.03 -0.04 1.87 1.85 2odpA1 LYS 358 HB3 0.06 0.05 0.09 -0.04 1.79 1.94 2odpA1 LYS 358 HG2 0.06 0.05 -0.10 -0.04 1.46 1.43 2odpA1 LYS 358 HG3 0.08 0.03 -0.31 -0.04 1.46 1.22 2odpA1 LYS 358 HD2 0.05 0.01 -0.06 -0.04 1.69 1.65 2odpA1 LYS 358 HD3 0.06 0.02 -0.18 -0.04 1.68 1.55 2odpA1 LYS 358 HE2 0.07 -0.01 -0.04 -0.04 2.99 2.97 2odpA1 LYS 358 HE3 0.06 -0.05 -0.01 -0.04 2.99 2.94 2odpA1 SER 359 H 0.07 0.14 -0.35 -0.55 8.46 7.77 2odpA1 SER 359 HA 0.10 0.08 0.58 -0.75 4.49 4.50 2odpA1 SER 359 HB2 0.07 -0.03 0.16 -0.04 3.95 4.11 2odpA1 SER 359 HB3 0.07 -0.05 0.08 -0.04 3.93 3.99 2odpA1 ASN 360 H 0.06 0.29 0.39 -0.55 8.53 8.73 2odpA1 ASN 360 HA 0.03 0.15 0.69 -0.75 4.76 4.88 2odpA1 ASN 360 HB2 0.03 0.00 0.17 -0.04 2.88 3.04 2odpA1 ASN 360 HB3 0.04 0.14 -0.17 -0.04 2.79 2.75 2odpA1 ASN 360 HD21 0.04 -0.09 0.04 -0.04 7.03 6.97 2odpA1 ASN 360 HD22 0.04 0.08 -0.01 -0.04 7.74 7.80 2odpA1 MET 361 H 0.05 0.27 0.29 -0.55 8.47 8.54 2odpA1 MET 361 HA 0.02 0.13 0.50 -0.75 4.52 4.42 2odpA1 MET 361 HB2 0.03 0.04 0.11 -0.04 2.15 2.30 2odpA1 MET 361 HB3 0.03 0.13 -0.09 -0.04 2.03 2.06 2odpA1 MET 361 HG2 0.07 -0.17 -0.44 -0.04 2.63 2.05 2odpA1 MET 361 HG3 0.07 0.06 -0.36 -0.04 2.56 2.28 2odpA1 MET 361 HE3 0.05 0.04 -0.01 -0.04 2.10 2.13 2odpA1 GLY 362 H 0.01 0.21 0.13 -0.55 8.43 8.23 2odpA1 GLY 362 HA2 0.01 0.09 0.32 -0.51 4.01 3.92 2odpA1 GLY 362 HA3 0.08 0.04 0.41 -0.51 4.01 4.04 2odpA1 GLY 363 H -0.02 -0.01 -0.35 -0.55 8.43 7.50 2odpA1 GLY 363 HA2 -0.07 0.03 0.24 -0.51 4.01 3.69 2odpA1 GLY 363 HA3 -0.19 0.20 0.57 -0.51 4.01 4.09 2odpA1 SER 364 H -0.09 0.14 0.10 -0.55 8.46 8.07 2odpA1 SER 364 HA -0.01 0.14 0.46 -0.75 4.49 4.32 2odpA1 SER 364 HB2 -0.04 0.08 0.12 -0.04 3.95 4.07 2odpA1 SER 364 HB3 -0.06 0.01 0.16 -0.04 3.93 4.00 2odpA1 PRO 365 HA 0.16 0.04 0.51 -0.51 4.44 4.65 2odpA1 PRO 365 HB2 -0.03 0.15 -0.04 -0.04 2.28 2.32 2odpA1 PRO 365 HB3 -0.04 0.06 -0.04 -0.04 2.02 1.96 2odpA1 PRO 365 HG2 -0.00 0.07 0.01 -0.04 2.03 2.06 2odpA1 PRO 365 HG3 0.03 -0.11 -0.01 -0.04 2.03 1.90 2odpA1 PRO 365 HD2 -0.01 0.14 0.18 -0.04 3.68 3.96 2odpA1 PRO 365 HD3 0.02 0.20 0.23 -0.04 3.65 4.06 2odpA1 LYS 366 H -0.02 0.08 -0.33 -0.55 8.42 7.60 2odpA1 LYS 366 HA -0.05 0.14 0.25 -0.75 4.32 3.91 2odpA1 LYS 366 HB2 -0.05 0.09 0.04 -0.04 1.87 1.91 2odpA1 LYS 366 HB3 -0.05 -0.06 0.01 -0.04 1.79 1.65 2odpA1 LYS 366 HG2 -0.07 -0.02 -0.21 -0.04 1.46 1.11 2odpA1 LYS 366 HG3 -0.06 0.07 0.01 -0.04 1.46 1.44 2odpA1 LYS 366 HD2 -0.05 0.05 -0.02 -0.04 1.69 1.63 2odpA1 LYS 366 HD3 -0.05 -0.05 -0.04 -0.04 1.68 1.50 2odpA1 LYS 366 HE2 -0.05 0.03 -0.02 -0.04 2.99 2.91 2odpA1 LYS 366 HE3 -0.05 -0.02 -0.04 -0.04 2.99 2.83 2odpA1 THR 367 H -0.02 0.26 -0.38 -0.55 8.28 7.59 2odpA1 THR 367 HA -0.21 0.07 0.36 -0.75 4.39 3.86 2odpA1 THR 367 HB 0.02 0.05 0.05 -0.04 4.32 4.40 2odpA1 THR 367 HG23 -0.24 0.01 -0.09 -0.04 1.22 0.86 2odpA1 ALA 368 H 0.12 0.20 -0.18 -0.55 8.40 7.99 2odpA1 ALA 368 HA -0.08 0.05 0.39 -0.75 4.34 3.94 2odpA1 ALA 368 HB3 -0.32 0.03 -0.02 -0.04 1.41 1.06 2odpA1 VAL 369 H -0.07 0.44 -0.12 -0.55 8.24 7.95 2odpA1 VAL 369 HA -0.06 0.04 0.39 -0.75 4.13 3.75 2odpA1 VAL 369 HB -0.07 0.01 0.10 -0.04 2.12 2.12 2odpA1 VAL 369 HG13 -0.06 0.02 -0.12 -0.04 0.97 0.77 2odpA1 VAL 369 HG23 -0.07 0.04 -0.05 -0.04 0.95 0.83 2odpA1 ASP 370 H -0.11 0.66 -0.17 -0.55 8.40 8.23 2odpA1 ASP 370 HA -0.04 0.05 0.44 -0.75 4.63 4.32 2odpA1 ASP 370 HB2 -0.16 0.08 0.16 -0.04 2.71 2.75 2odpA1 ASP 370 HB3 -0.08 -0.04 0.02 -0.04 2.70 2.56 2odpA1 HIS 371 H -0.20 0.52 -0.10 -0.55 8.41 8.08 2odpA1 HIS 371 HA -0.10 0.01 0.50 -0.75 4.63 4.29 2odpA1 HIS 371 HB2 -0.36 0.09 0.19 -0.04 3.26 3.15 2odpA1 HIS 371 HB3 -0.94 -0.04 0.01 -0.04 3.20 2.19 2odpA1 HIS 371 HD2 -0.11 -0.01 -0.04 -0.04 6.97 6.77 2odpA1 HIS 371 HE1 -0.07 -0.05 -0.05 -0.04 7.75 7.53 2odpA1 ILE 372 H 0.04 0.52 -0.21 -0.55 8.25 8.06 2odpA1 ILE 372 HA 0.23 -0.01 0.45 -0.75 4.18 4.10 2odpA1 ILE 372 HB 0.01 0.17 0.17 -0.04 1.89 2.20 2odpA1 ILE 372 HG12 0.10 -0.05 -0.03 -0.04 1.49 1.47 2odpA1 ILE 372 HG13 0.13 0.03 0.04 -0.04 1.21 1.37 2odpA1 ILE 372 HG23 -0.03 -0.00 -0.18 -0.04 0.93 0.68 2odpA1 ILE 372 HD13 -0.06 -0.01 -0.09 -0.04 0.88 0.68 2odpA1 ARG 373 H 0.02 0.59 -0.05 -0.55 8.46 8.47 2odpA1 ARG 373 HA 0.02 0.05 0.36 -0.75 4.34 4.02 2odpA1 ARG 373 HB2 -0.00 0.06 0.14 -0.04 1.90 2.06 2odpA1 ARG 373 HB3 0.00 -0.00 0.02 -0.04 1.80 1.77 2odpA1 ARG 373 HG2 -0.01 0.01 0.01 -0.04 1.67 1.64 2odpA1 ARG 373 HG3 -0.02 0.09 0.02 -0.04 1.67 1.71 2odpA1 ARG 373 HD2 -0.05 -0.01 -0.06 -0.04 3.22 3.06 2odpA1 ARG 373 HD3 -0.04 -0.06 -0.10 -0.04 3.22 2.98 2odpA1 GLU 374 H 0.07 0.33 -0.47 -0.55 8.60 7.98 2odpA1 GLU 374 HA 0.05 0.03 0.52 -0.75 4.29 4.13 2odpA1 GLU 374 HB2 0.06 0.05 0.11 -0.04 2.09 2.27 2odpA1 GLU 374 HB3 0.11 0.14 0.21 -0.04 1.99 2.40 2odpA1 GLU 374 HG2 0.07 0.01 -0.15 -0.04 2.34 2.22 2odpA1 GLU 374 HG3 0.05 -0.03 0.01 -0.04 2.34 2.33 2odpA1 ILE 375 H 0.17 0.57 0.07 -0.55 8.25 8.51 2odpA1 ILE 375 HA 0.12 0.01 0.38 -0.75 4.18 3.94 2odpA1 ILE 375 HB 0.27 -0.02 0.12 -0.04 1.89 2.22 2odpA1 ILE 375 HG12 0.10 0.05 -0.09 -0.04 1.49 1.52 2odpA1 ILE 375 HG13 0.01 -0.03 0.06 -0.04 1.21 1.21 2odpA1 ILE 375 HG23 0.14 0.02 -0.00 -0.04 0.93 1.05 2odpA1 ILE 375 HD13 -0.27 -0.03 -0.08 -0.04 0.88 0.47 2odpA1 LEU 376 H 0.10 0.38 -0.38 -0.55 8.37 7.93 2odpA1 LEU 376 HA 0.13 0.11 0.46 -0.75 4.35 4.30 2odpA1 LEU 376 HB2 0.02 0.02 -0.03 -0.04 1.64 1.61 2odpA1 LEU 376 HB3 0.00 0.05 0.01 -0.04 1.64 1.66 2odpA1 LEU 376 HG -0.03 0.06 0.00 -0.04 1.64 1.63 2odpA1 LEU 376 HD13 -0.15 0.00 -0.07 -0.04 0.93 0.67 2odpA1 LEU 376 HD23 -0.29 -0.01 -0.12 -0.04 0.89 0.44 2odpA1 ASN 377 H 0.07 0.33 -0.60 -0.55 8.53 7.78 2odpA1 ASN 377 HA 0.03 0.01 0.29 -0.75 4.76 4.33 2odpA1 ASN 377 HB2 0.05 0.03 -0.03 -0.04 2.88 2.88 2odpA1 ASN 377 HB3 -0.01 0.12 -0.00 -0.04 2.79 2.86 2odpA1 ASN 377 HD21 -0.01 -0.10 0.02 -0.04 7.03 6.89 2odpA1 ASN 377 HD22 -0.02 0.06 0.03 -0.04 7.74 7.78 2odpA1 ILE 378 H 0.02 0.56 -0.04 -0.55 8.25 8.24 2odpA1 ILE 378 HA 0.02 0.13 0.53 -0.75 4.18 4.11 2odpA1 ILE 378 HB 0.01 -0.09 0.15 -0.04 1.89 1.91 2odpA1 ILE 378 HG12 0.03 0.02 -0.06 -0.04 1.49 1.44 2odpA1 ILE 378 HG13 0.02 -0.08 -0.06 -0.04 1.21 1.06 2odpA1 ILE 378 HG23 0.02 0.01 -0.14 -0.04 0.93 0.77 2odpA1 ILE 378 HD13 0.08 0.06 -0.19 -0.04 0.88 0.79 2odpA1 ASN 379 H -0.00 0.18 0.14 -0.55 8.53 8.31 2odpA1 ASN 379 HA 0.00 0.23 0.71 -0.75 4.76 4.95 2odpA1 ASN 379 HB2 -0.00 -0.21 0.22 -0.04 2.88 2.85 2odpA1 ASN 379 HB3 -0.00 0.10 0.02 -0.04 2.79 2.86 2odpA1 ASN 379 HD21 -0.03 0.07 0.02 -0.04 7.03 7.05 2odpA1 ASN 379 HD22 -0.01 -0.01 -0.03 -0.04 7.74 7.65 2odpA1 GLN 380 H 0.00 0.15 0.15 -0.55 8.47 8.22 2odpA1 GLN 380 HA 0.01 0.17 0.54 -0.75 4.36 4.32 2odpA1 GLN 380 HB2 0.00 -0.04 0.18 -0.04 2.15 2.25 2odpA1 GLN 380 HB3 0.01 0.05 0.04 -0.04 2.02 2.08 2odpA1 GLN 380 HG2 0.00 0.05 0.08 -0.04 2.40 2.49 2odpA1 GLN 380 HG3 -0.00 -0.01 0.04 -0.04 2.39 2.38 2odpA1 GLN 380 HE21 -0.00 -0.01 0.02 -0.04 6.97 6.94 2odpA1 GLN 380 HE22 -0.00 0.02 0.03 -0.04 7.69 7.70 2odpA1 LYS 381 H 0.01 0.00 -0.06 -0.55 8.42 7.81 2odpA1 LYS 381 HA 0.03 0.11 0.40 -0.75 4.32 4.10 2odpA1 LYS 381 HB2 -0.00 0.00 0.03 -0.04 1.87 1.86 2odpA1 LYS 381 HB3 0.01 0.07 0.05 -0.04 1.79 1.88 2odpA1 LYS 381 HG2 0.01 0.04 0.03 -0.04 1.46 1.50 2odpA1 LYS 381 HG3 0.01 -0.01 0.03 -0.04 1.46 1.45 2odpA1 LYS 381 HD2 -0.00 0.05 0.05 -0.04 1.69 1.74 2odpA1 LYS 381 HD3 0.00 0.03 0.03 -0.04 1.68 1.70 2odpA1 LYS 381 HE2 0.00 0.06 0.05 -0.04 2.99 3.06 2odpA1 LYS 381 HE3 0.01 0.00 0.20 -0.04 2.99 3.16 2odpA1 ARG 382 H 0.02 -0.02 -0.44 -0.55 8.46 7.47 2odpA1 ARG 382 HA 0.23 0.24 0.93 -0.75 4.34 4.98 2odpA1 ARG 382 HB2 -0.04 -0.16 0.27 -0.04 1.90 1.93 2odpA1 ARG 382 HB3 -0.08 0.11 0.24 -0.04 1.80 2.03 2odpA1 ARG 382 HG2 -0.49 0.06 0.02 -0.04 1.67 1.22 2odpA1 ARG 382 HG3 -0.12 -0.19 -0.19 -0.04 1.67 1.13 2odpA1 ARG 382 HD2 -0.31 -0.06 0.03 -0.04 3.22 2.85 2odpA1 ARG 382 HD3 -0.15 -0.02 0.11 -0.04 3.22 3.11 2odpA1 ASN 383 H 0.07 0.30 -0.33 -0.55 8.53 8.02 2odpA1 ASN 383 HA 0.05 0.06 0.35 -0.75 4.76 4.47 2odpA1 ASN 383 HB2 0.02 0.10 0.19 -0.04 2.88 3.15 2odpA1 ASN 383 HB3 0.03 0.00 0.05 -0.04 2.79 2.83 2odpA1 ASN 383 HD21 -0.02 -0.04 0.04 -0.04 7.03 6.97 2odpA1 ASN 383 HD22 0.01 0.00 0.01 -0.04 7.74 7.72 2odpA1 ASP 384 H 0.10 0.08 -0.39 -0.55 8.40 7.65 2odpA1 ASP 384 HA -0.02 0.17 0.43 -0.75 4.63 4.46 2odpA1 ASP 384 HB2 -0.10 0.01 -0.00 -0.04 2.71 2.58 2odpA1 ASP 384 HB3 -0.19 0.03 0.07 -0.04 2.70 2.57 2odpA1 TYR 385 H 0.24 0.48 -0.41 -0.55 8.29 8.04 2odpA1 TYR 385 HA 0.00 0.09 0.64 -0.75 4.56 4.54 2odpA1 TYR 385 HB2 -0.00 0.15 0.15 -0.04 3.06 3.32 2odpA1 TYR 385 HB3 0.02 0.03 0.21 -0.04 2.98 3.20 2odpA1 TYR 385 HD2 -0.05 0.13 0.01 -0.04 7.15 7.20 2odpA1 TYR 385 HE2 -0.05 0.00 -0.05 -0.04 6.85 6.71 2odpA1 LEU 386 H 0.07 0.34 -0.29 -0.55 8.37 7.94 2odpA1 LEU 386 HA 0.12 0.30 0.83 -0.75 4.35 4.85 2odpA1 LEU 386 HB2 0.07 0.05 -0.16 -0.04 1.64 1.56 2odpA1 LEU 386 HB3 0.04 -0.03 -0.00 -0.04 1.64 1.61 2odpA1 LEU 386 HG -0.00 -0.04 -0.38 -0.04 1.64 1.17 2odpA1 LEU 386 HD13 0.04 0.01 -0.08 -0.04 0.93 0.86 2odpA1 LEU 386 HD23 -0.01 -0.03 -0.14 -0.04 0.89 0.67 2odpA1 ASP 387 H 0.11 0.55 0.35 -0.55 8.40 8.85 2odpA1 ASP 387 HA -0.07 0.12 0.75 -0.75 4.63 4.68 2odpA1 ASP 387 HB2 0.23 -0.06 0.05 -0.04 2.71 2.89 2odpA1 ASP 387 HB3 0.19 -0.06 -0.05 -0.04 2.70 2.74 2odpA1 ILE 388 H -0.22 0.19 0.18 -0.55 8.25 7.86 2odpA1 ILE 388 HA 0.07 0.21 1.08 -0.75 4.18 4.78 2odpA1 ILE 388 HB -0.11 0.02 0.11 -0.04 1.89 1.87 2odpA1 ILE 388 HG12 -0.01 0.03 -0.11 -0.04 1.49 1.36 2odpA1 ILE 388 HG13 -0.06 -0.02 -0.25 -0.04 1.21 0.84 2odpA1 ILE 388 HG23 -0.02 -0.02 -0.21 -0.04 0.93 0.64 2odpA1 ILE 388 HD13 -0.06 -0.00 -0.06 -0.04 0.88 0.71 2odpA1 TYR 389 H 0.26 0.86 0.40 -0.55 8.29 9.27 2odpA1 TYR 389 HA 0.18 0.35 1.11 -0.75 4.56 5.45 2odpA1 TYR 389 HB2 0.15 -0.04 0.16 -0.04 3.06 3.28 2odpA1 TYR 389 HB3 0.20 -0.05 -0.04 -0.04 2.98 3.04 2odpA1 TYR 389 HD2 0.24 0.00 -0.11 -0.04 7.15 7.24 2odpA1 TYR 389 HE2 0.01 0.11 -0.04 -0.04 6.85 6.88 2odpA1 ALA 390 H 0.18 0.64 0.39 -0.55 8.40 9.05 2odpA1 ALA 390 HA 0.11 0.17 0.99 -0.75 4.34 4.86 2odpA1 ALA 390 HB3 0.02 0.01 0.07 -0.04 1.41 1.47 2odpA1 ILE 391 H 0.09 0.74 0.33 -0.55 8.25 8.86 2odpA1 ILE 391 HA 0.25 0.24 1.05 -0.75 4.18 4.96 2odpA1 ILE 391 HB 0.08 0.01 0.06 -0.04 1.89 2.00 2odpA1 ILE 391 HG12 0.47 0.02 -0.24 -0.04 1.49 1.70 2odpA1 ILE 391 HG13 0.30 -0.10 -0.55 -0.04 1.21 0.82 2odpA1 ILE 391 HG23 0.14 -0.03 -0.31 -0.04 0.93 0.69 2odpA1 ILE 391 HD13 0.10 0.01 -0.18 -0.04 0.88 0.77 2odpA1 GLY 392 H 0.21 0.56 0.30 -0.55 8.43 8.95 2odpA1 GLY 392 HA2 0.15 0.16 0.91 -0.51 4.01 4.71 2odpA1 GLY 392 HA3 0.18 -0.02 0.40 -0.51 4.01 4.06 2odpA1 VAL 393 H 0.25 0.21 0.03 -0.55 8.24 8.18 2odpA1 VAL 393 HA 0.14 0.33 0.99 -0.75 4.13 4.84 2odpA1 VAL 393 HB 0.11 -0.00 -0.18 -0.04 2.12 2.01 2odpA1 VAL 393 HG13 0.19 0.01 -0.08 -0.04 0.97 1.05 2odpA1 VAL 393 HG23 0.09 -0.02 -0.42 -0.04 0.95 0.56 2odpA1 GLY 394 H 0.10 0.71 0.17 -0.55 8.43 8.86 2odpA1 GLY 394 HA2 0.05 0.12 0.36 -0.51 4.01 4.03 2odpA1 GLY 394 HA3 0.05 0.04 0.85 -0.51 4.01 4.44 2odpA1 LYS 395 H 0.01 0.07 0.18 -0.55 8.42 8.13 2odpA1 LEU 396 H 0.05 -0.02 -0.45 -0.55 8.37 7.40 2odpA1 LEU 396 HA 0.03 0.05 0.21 -0.75 4.35 3.89 2odpA1 LEU 396 HB2 0.05 0.05 0.12 -0.04 1.64 1.83 2odpA1 LEU 396 HB3 0.02 -0.11 0.07 -0.04 1.64 1.58 2odpA1 LEU 396 HG 0.13 0.07 -0.35 -0.04 1.64 1.46 2odpA1 LEU 396 HD13 0.12 -0.01 -0.05 -0.04 0.93 0.94 2odpA1 LEU 396 HD23 0.14 0.01 -0.33 -0.04 0.89 0.66 2odpA1 ASP 397 H 0.05 0.10 0.16 -0.55 8.40 8.16 2odpA1 ASP 397 HA 0.06 0.12 0.66 -0.75 4.63 4.72 2odpA1 ASP 397 HB2 0.04 0.03 0.11 -0.04 2.71 2.86 2odpA1 ASP 397 HB3 0.05 -0.03 0.17 -0.04 2.70 2.85 2odpA1 VAL 398 H 0.09 0.22 0.20 -0.55 8.24 8.20 2odpA1 VAL 398 HA 0.12 0.21 0.90 -0.75 4.13 4.60 2odpA1 VAL 398 HB 0.15 -0.01 0.03 -0.04 2.12 2.25 2odpA1 VAL 398 HG13 0.20 -0.02 -0.29 -0.04 0.97 0.82 2odpA1 VAL 398 HG23 0.15 0.03 -0.24 -0.04 0.95 0.85 2odpA1 ASP 399 H 0.11 0.72 0.18 -0.55 8.40 8.86 2odpA1 ASP 399 HA 0.12 0.12 0.89 -0.75 4.63 5.00 2odpA1 ASP 399 HB2 0.07 0.03 0.04 -0.04 2.71 2.81 2odpA1 ASP 399 HB3 0.06 0.19 0.21 -0.04 2.70 3.12 2odpA1 TRP 400 H 0.30 0.31 0.06 -0.55 7.97 8.09 2odpA1 TRP 400 HA 0.03 0.07 0.28 -0.75 4.62 4.24 2odpA1 TRP 400 HB2 0.02 0.07 0.06 -0.04 3.23 3.34 2odpA1 TRP 400 HB3 0.02 -0.01 0.11 -0.04 3.23 3.31 2odpA1 TRP 400 HD1 0.00 -0.01 -0.11 -0.04 7.22 7.06 2odpA1 TRP 400 HE1 -0.01 0.04 -0.05 -0.04 10.20 10.14 2odpA1 TRP 400 HE3 0.02 -0.03 -0.11 -0.04 7.59 7.43 2odpA1 TRP 400 HZ2 -0.05 0.04 -0.00 -0.04 7.44 7.39 2odpA1 TRP 400 HZ3 -0.04 -0.05 -0.48 -0.04 7.13 6.53 2odpA1 TRP 400 HH2 -0.15 0.23 0.01 -0.04 7.19 7.24 2odpA1 ARG 401 H 0.08 0.08 -0.12 -0.55 8.46 7.95 2odpA1 ARG 401 HA -0.31 0.13 0.46 -0.75 4.34 3.86 2odpA1 ARG 401 HB2 0.02 0.02 0.09 -0.04 1.90 1.99 2odpA1 ARG 401 HB3 -0.02 -0.02 0.04 -0.04 1.80 1.76 2odpA1 ARG 401 HG2 -0.07 0.01 -0.15 -0.04 1.67 1.42 2odpA1 ARG 401 HG3 -0.07 0.04 0.04 -0.04 1.67 1.64 2odpA1 ARG 401 HD2 -0.02 0.01 -0.03 -0.04 3.22 3.15 2odpA1 ARG 401 HD3 0.00 0.03 -0.00 -0.04 3.22 3.21 2odpA1 GLU 402 H -0.05 0.15 -0.19 -0.55 8.60 7.96 2odpA1 GLU 402 HA -0.09 0.07 0.58 -0.75 4.29 4.09 2odpA1 GLU 402 HB2 -0.02 -0.04 0.15 -0.04 2.09 2.14 2odpA1 GLU 402 HB3 -0.00 0.26 0.28 -0.04 1.99 2.49 2odpA1 GLU 402 HG2 0.01 -0.14 -0.07 -0.04 2.34 2.10 2odpA1 GLU 402 HG3 -0.04 -0.02 -0.09 -0.04 2.34 2.15 2odpA1 LEU 403 H -0.13 0.44 -0.07 -0.55 8.37 8.06 2odpA1 LEU 403 HA -0.09 -0.03 0.43 -0.75 4.35 3.90 2odpA1 LEU 403 HB2 -0.27 0.07 0.06 -0.04 1.64 1.45 2odpA1 LEU 403 HB3 -0.11 0.09 -0.06 -0.04 1.64 1.52 2odpA1 LEU 403 HG 0.07 0.07 -0.18 -0.04 1.64 1.56 2odpA1 LEU 403 HD13 0.26 0.02 -0.12 -0.04 0.93 1.04 2odpA1 LEU 403 HD23 0.07 -0.02 -0.32 -0.04 0.89 0.57 2odpA1 ASN 404 H -0.72 0.52 -0.16 -0.55 8.53 7.63 2odpA1 ASN 404 HA -0.51 0.03 0.42 -0.75 4.76 3.94 2odpA1 ASN 404 HB2 -1.19 0.16 0.15 -0.04 2.88 1.95 2odpA1 ASN 404 HB3 -0.44 0.04 -0.01 -0.04 2.79 2.34 2odpA1 ASN 404 HD21 0.01 -0.01 -0.01 -0.04 7.03 6.98 2odpA1 ASN 404 HD22 -0.20 -0.03 -0.03 -0.04 7.74 7.44 2odpA1 GLU 405 H -0.25 0.33 -0.20 -0.55 8.60 7.93 2odpA1 GLU 405 HA -0.14 0.07 0.49 -0.75 4.29 3.96 2odpA1 GLU 405 HB2 -0.12 0.02 0.13 -0.04 2.09 2.08 2odpA1 GLU 405 HB3 -0.11 0.01 0.18 -0.04 1.99 2.03 2odpA1 GLU 405 HG2 -0.08 0.00 -0.15 -0.04 2.34 2.07 2odpA1 GLU 405 HG3 -0.08 -0.00 0.03 -0.04 2.34 2.25 2odpA1 LEU 406 H -0.13 0.43 -0.19 -0.55 8.37 7.94 2odpA1 LEU 406 HA -0.08 -0.05 0.46 -0.75 4.35 3.92 2odpA1 LEU 406 HB2 -0.07 0.09 0.11 -0.04 1.64 1.73 2odpA1 LEU 406 HB3 -0.05 -0.05 -0.12 -0.04 1.64 1.38 2odpA1 LEU 406 HG -0.05 0.11 -0.01 -0.04 1.64 1.65 2odpA1 LEU 406 HD13 -0.00 -0.05 -0.10 -0.04 0.93 0.73 2odpA1 LEU 406 HD23 -0.05 -0.03 -0.08 -0.04 0.89 0.69 2odpA1 GLY 407 H -0.13 0.38 -0.13 -0.55 8.43 8.01 2odpA1 GLY 407 HA2 -0.09 0.08 0.27 -0.51 4.01 3.75 2odpA1 GLY 407 HA3 -0.10 -0.04 0.25 -0.51 4.01 3.61 2odpA1 SER 408 H -0.36 0.49 0.36 -0.55 8.46 8.40 2odpA1 SER 408 HA -0.27 0.04 0.52 -0.75 4.49 4.03 2odpA1 SER 408 HB2 -1.82 0.02 0.09 -0.04 3.95 2.20 2odpA1 SER 408 HB3 -0.54 0.05 0.03 -0.04 3.93 3.42 2odpA1 LYS 409 H -0.19 0.17 0.07 -0.55 8.42 7.91 2odpA1 LYS 409 HA -0.09 0.14 0.78 -0.75 4.32 4.40 2odpA1 LYS 409 HB2 -0.08 -0.04 0.20 -0.04 1.87 1.91 2odpA1 LYS 409 HB3 -0.06 -0.05 0.05 -0.04 1.79 1.69 2odpA1 LYS 409 HG2 -0.11 0.10 -0.12 -0.04 1.46 1.29 2odpA1 LYS 409 HG3 -0.08 -0.09 -0.01 -0.04 1.46 1.24 2odpA1 LYS 409 HD2 -0.07 -0.08 0.03 -0.04 1.69 1.53 2odpA1 LYS 409 HD3 -0.11 0.28 -0.29 -0.04 1.68 1.52 2odpA1 LYS 409 HE2 -0.11 0.12 -0.05 -0.04 2.99 2.91 2odpA1 LYS 409 HE3 -0.07 -0.14 -0.04 -0.04 2.99 2.70 2odpA1 LYS 410 H -0.01 0.32 -0.03 -0.55 8.42 8.14 2odpA1 LYS 410 HA -0.02 0.12 0.89 -0.75 4.32 4.55 2odpA1 LYS 410 HB2 0.14 0.00 -0.06 -0.04 1.87 1.91 2odpA1 LYS 410 HB3 0.05 0.08 -0.04 -0.04 1.79 1.84 2odpA1 LYS 410 HG2 -0.06 0.03 -0.10 -0.04 1.46 1.29 2odpA1 LYS 410 HG3 -0.22 -0.16 -0.31 -0.04 1.46 0.73 2odpA1 LYS 410 HD2 0.13 0.04 -0.05 -0.04 1.69 1.77 2odpA1 LYS 410 HD3 0.04 -0.00 -0.05 -0.04 1.68 1.63 2odpA1 LYS 410 HE2 -0.04 -0.08 0.06 -0.04 2.99 2.89 2odpA1 LYS 410 HE3 -0.13 -0.13 0.10 -0.04 2.99 2.79 2odpA1 ASP 411 H 0.01 0.13 0.12 -0.55 8.40 8.11 2odpA1 ASP 411 HA 0.02 0.00 0.47 -0.75 4.63 4.36 2odpA1 ASP 411 HB2 0.01 0.04 0.10 -0.04 2.71 2.82 2odpA1 ASP 411 HB3 0.01 -0.00 0.04 -0.04 2.70 2.71 2odpA1 GLY 412 H 0.03 0.09 0.21 -0.55 8.43 8.21 2odpA1 GLY 412 HA2 0.03 -0.04 0.34 -0.51 4.01 3.83 2odpA1 GLY 412 HA3 0.03 0.09 0.46 -0.51 4.01 4.08 2odpA1 GLU 413 H 0.06 0.36 -0.20 -0.55 8.60 8.27 2odpA1 GLU 413 HA 0.06 0.15 0.79 -0.75 4.29 4.54 2odpA1 GLU 413 HB2 0.16 -0.06 -0.21 -0.04 2.09 1.94 2odpA1 GLU 413 HB3 0.04 0.08 -0.01 -0.04 1.99 2.05 2odpA1 GLU 413 HG2 0.06 0.05 -0.31 -0.04 2.34 2.09 2odpA1 GLU 413 HG3 0.08 0.03 -0.39 -0.04 2.34 2.02 2odpA1 ARG 414 H 0.09 0.24 0.15 -0.55 8.46 8.39 2odpA1 ARG 414 HA 0.01 0.15 0.90 -0.75 4.34 4.65 2odpA1 ARG 414 HB2 0.09 0.02 0.08 -0.04 1.90 2.05 2odpA1 ARG 414 HB3 -0.38 -0.01 0.06 -0.04 1.80 1.42 2odpA1 ARG 414 HG2 0.02 0.03 0.02 -0.04 1.67 1.69 2odpA1 ARG 414 HG3 0.05 -0.01 -0.18 -0.04 1.67 1.49 2odpA1 ARG 414 HD2 0.04 -0.03 -0.01 -0.04 3.22 3.19 2odpA1 ARG 414 HD3 0.11 0.00 -0.01 -0.04 3.22 3.27 2odpA1 HIS 415 H -0.03 0.13 0.21 -0.55 8.41 8.18 2odpA1 HIS 415 HA 0.07 0.21 0.84 -0.75 4.63 5.00 2odpA1 HIS 415 HB2 -0.21 0.27 0.15 -0.04 3.26 3.44 2odpA1 HIS 415 HB3 -0.34 0.06 0.45 -0.04 3.20 3.32 2odpA1 HIS 415 HD2 -1.33 -0.09 -0.16 -0.04 6.97 5.35 2odpA1 HIS 415 HE1 -0.06 0.04 -0.16 -0.04 7.75 7.52 2odpA1 ALA 416 H -0.33 0.11 0.16 -0.55 8.40 7.80 2odpA1 ALA 416 HA 0.03 0.35 1.08 -0.75 4.34 5.04 2odpA1 ALA 416 HB3 -0.32 0.01 -0.13 -0.04 1.41 0.93 2odpA1 PHE 417 H 0.31 0.51 0.34 -0.55 8.34 8.94 2odpA1 PHE 417 HA 0.31 0.16 0.87 -0.75 4.62 5.21 2odpA1 PHE 417 HB2 0.15 -0.05 -0.11 -0.04 3.15 3.09 2odpA1 PHE 417 HB3 0.12 0.00 -0.15 -0.04 3.06 3.00 2odpA1 PHE 417 HD2 0.14 -0.02 -0.20 -0.04 7.28 7.17 2odpA1 PHE 417 HE2 0.17 0.06 -0.18 -0.04 7.38 7.39 2odpA1 PHE 417 HZ 0.09 0.14 -0.14 -0.04 7.32 7.37 2odpA1 ILE 418 H 0.23 0.25 0.14 -0.55 8.25 8.32 2odpA1 ILE 418 HA 0.22 0.23 0.92 -0.75 4.18 4.79 2odpA1 ILE 418 HB 0.03 -0.02 0.16 -0.04 1.89 2.02 2odpA1 ILE 418 HG12 0.26 0.02 -0.01 -0.04 1.49 1.72 2odpA1 ILE 418 HG13 0.46 -0.05 -0.33 -0.04 1.21 1.25 2odpA1 ILE 418 HG23 0.09 0.01 -0.09 -0.04 0.93 0.89 2odpA1 ILE 418 HD13 0.20 -0.01 -0.04 -0.04 0.88 0.98 2odpA1 LEU 419 H 0.14 0.77 0.28 -0.55 8.37 9.01 2odpA1 LEU 419 HA 0.07 0.16 0.93 -0.75 4.35 4.76 2odpA1 LEU 419 HB2 0.09 -0.02 -0.08 -0.04 1.64 1.59 2odpA1 LEU 419 HB3 0.06 -0.10 -0.09 -0.04 1.64 1.46 2odpA1 LEU 419 HG 0.17 -0.08 -0.56 -0.04 1.64 1.13 2odpA1 LEU 419 HD13 -0.02 0.01 -0.24 -0.04 0.93 0.63 2odpA1 LEU 419 HD23 0.07 0.08 -0.17 -0.04 0.89 0.82 2odpA1 GLN 420 H 0.04 0.16 0.16 -0.55 8.47 8.29 2odpA1 GLN 420 HA 0.05 0.24 0.31 -0.75 4.36 4.21 2odpA1 GLN 420 HB2 0.03 -0.05 0.14 -0.04 2.15 2.22 2odpA1 GLN 420 HB3 0.03 0.00 0.01 -0.04 2.02 2.01 2odpA1 GLN 420 HG2 0.03 0.06 0.01 -0.04 2.40 2.46 2odpA1 GLN 420 HG3 0.03 0.01 0.04 -0.04 2.39 2.42 2odpA1 GLN 420 HE21 0.01 0.02 0.01 -0.04 6.97 6.96 2odpA1 GLN 420 HE22 0.01 0.02 0.00 -0.04 7.69 7.69 2odpA1 ASP 421 H 0.04 0.12 -0.04 -0.55 8.40 7.98 2odpA1 ASP 421 HA 0.04 0.21 0.70 -0.75 4.63 4.82 2odpA1 ASP 421 HB2 0.02 -0.09 0.12 -0.04 2.71 2.73 2odpA1 ASP 421 HB3 0.02 0.21 -0.13 -0.04 2.70 2.75 2odpA1 THR 422 H 0.03 0.24 0.13 -0.55 8.28 8.13 2odpA1 THR 422 HA 0.04 0.11 0.36 -0.75 4.39 4.14 2odpA1 THR 422 HB 0.01 0.01 0.07 -0.04 4.32 4.38 2odpA1 THR 422 HG23 0.01 0.04 -0.12 -0.04 1.22 1.10 2odpA1 LYS 423 H 0.03 0.06 -0.21 -0.55 8.42 7.75 2odpA1 LYS 423 HA 0.07 0.16 0.39 -0.75 4.32 4.19 2odpA1 LYS 423 HB2 0.03 -0.02 0.08 -0.04 1.87 1.91 2odpA1 LYS 423 HB3 0.04 -0.02 -0.01 -0.04 1.79 1.76 2odpA1 LYS 423 HG2 0.07 0.04 -0.03 -0.04 1.46 1.50 2odpA1 LYS 423 HG3 0.04 0.05 0.02 -0.04 1.46 1.53 2odpA1 LYS 423 HD2 0.02 0.03 -0.01 -0.04 1.69 1.69 2odpA1 LYS 423 HD3 0.03 -0.05 -0.03 -0.04 1.68 1.58 2odpA1 LYS 423 HE2 0.04 -0.01 -0.05 -0.04 2.99 2.93 2odpA1 LYS 423 HE3 0.04 0.06 -0.02 -0.04 2.99 3.02 2odpA1 ALA 424 H 0.04 0.06 -0.24 -0.55 8.40 7.72 2odpA1 ALA 424 HA 0.04 0.12 0.43 -0.75 4.34 4.18 2odpA1 ALA 424 HB3 0.03 0.02 0.08 -0.04 1.41 1.51 2odpA1 LEU 425 H 0.04 0.26 -0.33 -0.55 8.37 7.79 2odpA1 LEU 425 HA -0.02 0.04 0.42 -0.75 4.35 4.03 2odpA1 LEU 425 HB2 0.02 -0.05 -0.01 -0.04 1.64 1.56 2odpA1 LEU 425 HB3 0.02 0.13 0.13 -0.04 1.64 1.89 2odpA1 LEU 425 HG -0.02 -0.05 -0.09 -0.04 1.64 1.44 2odpA1 LEU 425 HD13 -0.11 0.02 -0.22 -0.04 0.93 0.57 2odpA1 LEU 425 HD23 -0.05 -0.01 -0.08 -0.04 0.89 0.71 2odpA1 HIS 426 H 0.14 0.53 -0.13 -0.55 8.41 8.41 2odpA1 HIS 426 HA 0.04 0.05 0.37 -0.75 4.63 4.33 2odpA1 HIS 426 HB2 0.05 -0.01 0.10 -0.04 3.26 3.36 2odpA1 HIS 426 HB3 0.05 0.16 0.17 -0.04 3.20 3.54 2odpA1 HIS 426 HD2 0.08 -0.01 -0.05 -0.04 6.97 6.95 2odpA1 HIS 426 HE1 0.18 0.06 -0.04 -0.04 7.75 7.90 2odpA1 GLN 427 H 0.06 0.31 -0.24 -0.55 8.47 8.05 2odpA1 GLN 427 HA -0.09 0.03 0.38 -0.75 4.36 3.93 2odpA1 GLN 427 HB2 0.01 0.11 0.15 -0.04 2.15 2.38 2odpA1 GLN 427 HB3 0.01 -0.04 0.01 -0.04 2.02 1.96 2odpA1 GLN 427 HG2 0.08 0.14 0.08 -0.04 2.40 2.66 2odpA1 GLN 427 HG3 0.04 -0.04 0.04 -0.04 2.39 2.39 2odpA1 GLN 427 HE21 0.05 0.32 0.08 -0.04 6.97 7.39 2odpA1 GLN 427 HE22 0.16 0.00 -0.03 -0.04 7.69 7.79 2odpA1 VAL 428 H -0.05 0.45 -0.11 -0.55 8.24 7.98 2odpA1 VAL 428 HA -0.12 0.05 0.43 -0.75 4.13 3.73 2odpA1 VAL 428 HB -0.23 0.02 0.10 -0.04 2.12 1.97 2odpA1 VAL 428 HG13 -1.02 -0.00 -0.22 -0.04 0.97 -0.31 2odpA1 VAL 428 HG23 -0.24 -0.01 -0.02 -0.04 0.95 0.64 2odpA1 PHE 429 H 0.04 0.70 -0.20 -0.55 8.34 8.33 2odpA1 PHE 429 HA -0.22 -0.00 0.29 -0.75 4.62 3.93 2odpA1 PHE 429 HB2 -0.11 0.04 0.03 -0.04 3.15 3.07 2odpA1 PHE 429 HB3 -0.13 0.10 0.04 -0.04 3.06 3.02 2odpA1 PHE 429 HD2 -0.16 -0.01 -0.10 -0.04 7.28 6.97 2odpA1 PHE 429 HE2 -0.11 0.01 -0.08 -0.04 7.38 7.16 2odpA1 PHE 429 HZ -0.08 0.05 -0.08 -0.04 7.32 7.16 2odpA1 GLU 430 H -0.09 0.41 -0.24 -0.55 8.60 8.14 2odpA1 GLU 430 HA -0.24 0.07 0.48 -0.75 4.29 3.84 2odpA1 GLU 430 HB2 -0.16 0.14 0.09 -0.04 2.09 2.12 2odpA1 GLU 430 HB3 -0.25 -0.08 0.07 -0.04 1.99 1.69 2odpA1 GLU 430 HG2 -0.31 0.27 0.05 -0.04 2.34 2.31 2odpA1 GLU 430 HG3 -0.22 -0.17 -0.13 -0.04 2.34 1.77 2odpA1 HIS 431 H -0.03 0.30 -0.47 -0.55 8.41 7.67 2odpA1 HIS 431 HA -0.11 0.14 0.64 -0.75 4.63 4.55 2odpA1 HIS 431 HB2 -0.11 0.06 0.12 -0.04 3.26 3.29 2odpA1 HIS 431 HB3 -0.04 -0.03 0.09 -0.04 3.20 3.18 2odpA1 HIS 431 HD2 -0.09 0.29 0.02 -0.04 6.97 7.15 2odpA1 HIS 431 HE1 -0.04 0.04 -0.13 -0.04 7.75 7.57 2odpA1 MET 432 H -0.23 0.23 -0.18 -0.55 8.47 7.75 2odpA1 MET 432 HA -0.09 0.10 0.71 -0.75 4.52 4.49 2odpA1 MET 432 HB2 -0.51 0.09 0.11 -0.04 2.15 1.81 2odpA1 MET 432 HB3 -0.49 -0.09 0.02 -0.04 2.03 1.42 2odpA1 MET 432 HG2 -0.18 0.03 -0.03 -0.04 2.63 2.40 2odpA1 MET 432 HG3 -0.23 0.11 -0.11 -0.04 2.56 2.28 2odpA1 MET 432 HE3 -0.75 -0.00 -0.10 -0.04 2.10 1.21 2odpA1 LEU 433 H -0.38 0.29 -0.25 -0.55 8.37 7.48 2odpA1 LEU 433 HA -0.33 0.21 0.68 -0.75 4.35 4.16 2odpA1 LEU 433 HB2 -0.34 0.06 0.10 -0.04 1.64 1.42 2odpA1 LEU 433 HB3 -0.42 -0.01 -0.09 -0.04 1.64 1.07 2odpA1 LEU 433 HG -0.89 0.23 0.02 -0.04 1.64 0.96 2odpA1 LEU 433 HD13 -0.27 -0.03 -0.11 -0.04 0.93 0.49 2odpA1 LEU 433 HD23 -0.65 -0.02 -0.15 -0.04 0.89 0.03 2odpA1 ASP 434 H -0.20 0.65 0.11 -0.55 8.40 8.40 2odpA1 ASP 434 HA -0.14 0.09 0.79 -0.75 4.63 4.62 2odpA1 ASP 434 HB2 -0.08 0.11 -0.08 -0.04 2.71 2.62 2odpA1 ASP 434 HB3 -0.11 0.02 -0.03 -0.04 2.70 2.54 2odpA1 VAL 435 H -0.15 0.24 0.07 -0.55 8.24 7.85 2odpA1 VAL 435 HA -0.23 0.30 0.85 -0.75 4.13 4.29 2odpA1 VAL 435 HB -0.11 0.00 0.01 -0.04 2.12 1.98 2odpA1 VAL 435 HG13 -0.13 0.02 0.06 -0.04 0.97 0.88 2odpA1 VAL 435 HG23 -0.38 0.04 -0.20 -0.04 0.95 0.36 2odpA1 SER 436 H -0.09 0.07 -0.21 -0.55 8.46 7.68 2odpA1 SER 436 HA -0.03 0.05 0.27 -0.75 4.49 4.02 2odpA1 SER 436 HB2 -0.03 0.01 0.09 -0.04 3.95 3.98 2odpA1 SER 436 HB3 -0.04 -0.01 0.10 -0.04 3.93 3.94 2odpA1 LYS 437 H -0.08 0.15 -0.42 -0.55 8.42 7.52 2odpA1 LYS 437 HA -0.03 0.20 0.71 -0.75 4.32 4.45 2odpA1 LYS 437 HB2 -0.06 0.06 -0.01 -0.04 1.87 1.81 2odpA1 LYS 437 HB3 -0.04 -0.05 0.15 -0.04 1.79 1.81 2odpA1 LYS 437 HG2 -0.03 0.04 -0.17 -0.04 1.46 1.26 2odpA1 LYS 437 HG3 -0.05 -0.03 -0.12 -0.04 1.46 1.21 2odpA1 LYS 437 HD2 -0.05 0.03 -0.04 -0.04 1.69 1.59 2odpA1 LYS 437 HD3 -0.03 -0.02 -0.01 -0.04 1.68 1.58 2odpA1 LYS 437 HE2 -0.04 0.02 -0.05 -0.04 2.99 2.89 2odpA1 LYS 437 HE3 -0.03 -0.01 -0.03 -0.04 2.99 2.89 2odpA1 LEU 438 H -0.06 0.52 -0.29 -0.55 8.37 7.99 2odpA1 LEU 438 HA -0.03 -0.07 0.79 -0.75 4.35 4.28 2odpA1 LEU 438 HB2 -0.09 0.13 0.11 -0.04 1.64 1.75 2odpA1 LEU 438 HB3 -0.02 0.08 0.18 -0.04 1.64 1.85 2odpA1 LEU 438 HG 0.03 -0.06 -0.10 -0.04 1.64 1.47 2odpA1 LEU 438 HD13 -0.02 -0.01 -0.13 -0.04 0.93 0.72 2odpA1 LEU 438 HD23 0.09 0.02 -0.06 -0.04 0.89 0.90 2odpA1 THR 439 H -0.00 0.09 0.08 -0.55 8.28 7.90 2odpA1 THR 439 HA 0.01 0.31 0.71 -0.75 4.39 4.66 2odpA1 THR 439 HB 0.01 0.01 0.18 -0.04 4.32 4.48 2odpA1 THR 439 HG23 -0.00 -0.01 -0.18 -0.04 1.22 0.99 2odpA1 ASP 440 H 0.01 -0.01 0.01 -0.55 8.40 7.87 2odpA1 ASP 440 HA 0.02 0.14 0.77 -0.75 4.63 4.81 2odpA1 ASP 440 HB2 0.02 -0.09 0.16 -0.04 2.71 2.75 2odpA1 ASP 440 HB3 0.01 0.02 0.14 -0.04 2.70 2.82 2odpA1 THR 441 H 0.02 0.08 0.08 -0.55 8.28 7.91 2odpA1 THR 441 HA 0.02 0.27 0.47 -0.75 4.39 4.40 2odpA1 THR 441 HB 0.02 0.00 0.15 -0.04 4.32 4.45 2odpA1 THR 441 HG23 0.02 -0.00 0.03 -0.04 1.22 1.23 2odpA1 ILE 442 H 0.03 0.01 -0.54 -0.55 8.25 7.20 2odpA1 ILE 442 HA 0.01 -0.08 0.35 -0.75 4.18 3.72 2odpA1 ILE 442 HB 0.04 -0.07 0.00 -0.04 1.89 1.82 2odpA1 ILE 442 HG12 0.02 0.16 -0.27 -0.04 1.49 1.35 2odpA1 ILE 442 HG13 0.02 -0.12 0.00 -0.04 1.21 1.07 2odpA1 ILE 442 HG23 0.06 0.02 -0.12 -0.04 0.93 0.85 2odpA1 ILE 442 HD13 0.06 0.02 -0.12 -0.04 0.88 0.80 2odpA1 CYS 443 H -0.02 -0.02 0.13 -0.55 8.50 8.04 2odpA1 CYS 443 HA -0.00 0.35 0.51 -0.75 4.58 4.69 2odpA1 CYS 443 HB2 -0.09 0.03 -0.64 -0.04 2.97 2.23 2odpA1 CYS 443 HB3 -0.04 0.01 -0.06 -0.04 2.97 2.83 2odpA1 GLY 444 H 0.00 0.75 0.29 -0.55 8.43 8.92 2odpA1 GLY 444 HA2 -0.05 -0.03 0.42 -0.51 4.01 3.83 2odpA1 GLY 444 HA3 -0.27 0.05 0.41 -0.51 4.01 3.70 2odpA1 VAL 445 H 0.12 0.18 -0.20 -0.55 8.24 7.79 2odpA1 VAL 445 HA 0.08 0.19 0.81 -0.75 4.13 4.46 2odpA1 VAL 445 HB 0.10 0.02 -0.07 -0.04 2.12 2.13 2odpA1 VAL 445 HG13 0.20 -0.01 -0.15 -0.04 0.97 0.98 2odpA1 VAL 445 HG23 0.01 0.04 -0.21 -0.04 0.95 0.75 2odpA1 GLY 446 H 0.26 0.26 0.14 -0.55 8.43 8.55 2odpA1 GLY 446 HA2 0.05 0.21 0.47 -0.51 4.01 4.23 2odpA1 GLY 446 HA3 0.16 0.11 0.32 -0.51 4.01 4.09 2odpA1 ASN 447 H -0.05 0.59 0.23 -0.55 8.53 8.76 2odpA1 ASN 447 HA 0.00 0.09 0.83 -0.75 4.76 4.93 2odpA1 ASN 447 HB2 -0.11 0.14 -0.02 -0.04 2.88 2.85 2odpA1 ASN 447 HB3 -0.11 -0.02 -0.21 -0.04 2.79 2.41 2odpA1 ASN 447 HD21 -0.23 0.04 -0.00 -0.04 7.03 6.80 2odpA1 ASN 447 HD22 -0.14 0.05 -0.01 -0.04 7.74 7.60 2odpA1 MET 448 H -0.03 0.15 0.13 -0.55 8.47 8.17 2odpA1 MET 448 HA 0.13 0.27 0.70 -0.75 4.52 4.87 2odpA1 MET 448 HB2 -0.13 -0.02 -0.01 -0.04 2.15 1.95 2odpA1 MET 448 HB3 0.25 -0.06 0.08 -0.04 2.03 2.25 2odpA1 MET 448 HG2 0.08 0.08 -0.05 -0.04 2.63 2.71 2odpA1 MET 448 HG3 0.34 -0.05 -0.04 -0.04 2.56 2.77 2odpA1 MET 448 HE3 0.12 -0.02 -0.10 -0.04 2.10 2.06 2odpA1 SER 449 H -0.08 0.07 -0.16 -0.55 8.46 7.74 2odpA1 SER 449 HA -0.02 0.06 0.47 -0.75 4.49 4.25 2odpA1 SER 449 HB2 -0.13 0.12 0.06 -0.04 3.95 3.96 2odpA1 SER 449 HB3 -0.10 0.03 0.05 -0.04 3.93 3.87 2odpA1 ALA 450 H 0.03 0.13 0.19 -0.55 8.40 8.20 2odpA1 ALA 450 HA 0.00 0.16 0.51 -0.75 4.34 4.26 2odpA1 ALA 450 HB3 0.02 -0.00 0.10 -0.04 1.41 1.48 2odpA1 ASN 451 H 0.08 -0.05 -0.34 -0.55 8.53 7.67 2odpA1 ASN 451 HA 0.01 0.19 0.61 -0.75 4.76 4.83 2odpA1 ASN 451 HB2 0.13 -0.04 -0.00 -0.04 2.88 2.93 2odpA1 ASN 451 HB3 0.03 0.03 0.04 -0.04 2.79 2.86 2odpA1 ASN 451 HD21 -0.06 -0.03 -0.03 -0.04 7.03 6.86 2odpA1 ASN 451 HD22 -0.16 0.03 -0.03 -0.04 7.74 7.54 2odpA1 ALA 452 H 0.01 0.23 -0.43 -0.55 8.40 7.66 2odpA1 ALA 452 HA -0.02 0.06 0.53 -0.75 4.34 4.16 2odpA1 ALA 452 HB3 -0.11 0.02 -0.02 -0.04 1.41 1.26 2odpA1 SER 453 H -0.09 0.06 0.10 -0.55 8.46 7.99 2odpA1 SER 453 HA -0.08 0.16 0.52 -0.75 4.49 4.33 2odpA1 SER 453 HB2 -0.10 0.01 0.12 -0.04 3.95 3.94 2odpA1 SER 453 HB3 -0.05 0.08 0.11 -0.04 3.93 4.02 2odpA1 ASP 454 H -0.12 0.16 0.13 -0.55 8.40 8.02 2odpA1 ASP 454 HA -0.17 0.10 0.45 -0.75 4.63 4.26 2odpA1 ASP 454 HB2 -0.14 -0.06 0.13 -0.04 2.71 2.60 2odpA1 ASP 454 HB3 -0.17 0.22 0.03 -0.04 2.70 2.73 2odpA1 GLN 455 H -0.18 0.05 -0.17 -0.55 8.47 7.62 2odpA1 GLN 455 HA -0.28 0.19 0.30 -0.75 4.36 3.82 2odpA1 GLN 455 HB2 -0.11 0.01 0.06 -0.04 2.15 2.06 2odpA1 GLN 455 HB3 -0.16 -0.08 -0.05 -0.04 2.02 1.68 2odpA1 GLN 455 HG2 0.02 -0.15 0.06 -0.04 2.40 2.29 2odpA1 GLN 455 HG3 -0.17 0.10 -0.00 -0.04 2.39 2.28 2odpA1 GLN 455 HE21 -0.14 0.27 0.15 -0.04 6.97 7.22 2odpA1 GLN 455 HE22 -0.12 0.44 0.28 -0.04 7.69 8.24 2odpA1 GLU 456 H -0.33 -0.03 -0.35 -0.55 8.60 7.34 2odpA1 GLU 456 HA -0.42 0.34 0.57 -0.75 4.29 4.03 2odpA1 GLU 456 HB2 -0.23 0.06 0.05 -0.04 2.09 1.92 2odpA1 GLU 456 HB3 -0.22 -0.03 -0.01 -0.04 1.99 1.69 2odpA1 GLU 456 HG2 -0.49 0.08 -0.06 -0.04 2.34 1.83 2odpA1 GLU 456 HG3 -0.76 -0.08 -0.06 -0.04 2.34 1.41 2odpA1 ARG 457 H -0.27 0.33 -0.38 -0.55 8.46 7.59 2odpA1 ARG 457 HA -0.18 0.10 0.57 -0.75 4.34 4.08 2odpA1 ARG 457 HB2 -0.22 0.10 0.12 -0.04 1.90 1.86 2odpA1 ARG 457 HB3 -0.17 -0.08 0.03 -0.04 1.80 1.53 2odpA1 ARG 457 HG2 -0.07 0.09 -0.13 -0.04 1.67 1.52 2odpA1 ARG 457 HG3 -0.13 -0.06 -0.20 -0.04 1.67 1.24 2odpA1 ARG 457 HD2 -0.07 0.11 -0.20 -0.04 3.22 3.02 2odpA1 ARG 457 HD3 -0.11 -0.08 -0.16 -0.04 3.22 2.83 2odpA1 THR 458 H -0.53 0.25 -0.37 -0.55 8.28 7.08 2odpA1 THR 458 HA -1.96 0.14 0.78 -0.75 4.39 2.59 2odpA1 THR 458 HB -1.73 -0.11 0.06 -0.04 4.32 2.50 2odpA1 THR 458 HG23 -0.42 -0.02 -0.27 -0.04 1.22 0.47 2odpA1 PRO 459 HA -0.36 0.21 0.30 -0.51 4.44 4.07 2odpA1 PRO 459 HB2 -0.10 -0.21 -0.28 -0.04 2.28 1.65 2odpA1 PRO 459 HB3 -0.20 0.20 -0.09 -0.04 2.02 1.89 2odpA1 PRO 459 HG2 -0.00 0.01 -0.03 -0.04 2.03 1.96 2odpA1 PRO 459 HG3 -0.09 0.11 0.04 -0.04 2.03 2.04 2odpA1 PRO 459 HD2 -0.60 0.03 0.00 -0.04 3.68 3.08 2odpA1 PRO 459 HD3 -0.43 0.20 -0.35 -0.04 3.65 3.03 2odpA1 TRP 460 H -0.98 0.03 -0.43 -0.55 7.97 6.04 2odpA1 TRP 460 HA -0.07 0.29 0.72 -0.75 4.62 4.80 2odpA1 TRP 460 HB2 -0.08 -0.09 0.25 -0.04 3.23 3.27 2odpA1 TRP 460 HB3 -0.11 0.07 -0.03 -0.04 3.23 3.12 2odpA1 TRP 460 HD1 -0.05 -0.05 -0.17 -0.04 7.22 6.91 2odpA1 TRP 460 HE1 -0.35 -0.05 -0.08 -0.04 10.20 9.68 2odpA1 TRP 460 HE3 -0.22 0.10 -0.13 -0.04 7.59 7.30 2odpA1 TRP 460 HZ2 -2.43 -0.03 -0.14 -0.04 7.44 4.80 2odpA1 TRP 460 HZ3 -0.59 0.10 -0.20 -0.04 7.13 6.41 2odpA1 TRP 460 HH2 -1.88 0.05 -0.09 -0.04 7.19 5.23 2odpA1 HIS 461 H -0.57 0.44 -0.17 -0.55 8.41 7.58 2odpA1 HIS 461 HA -0.03 0.05 0.33 -0.75 4.63 4.23 2odpA1 HIS 461 HB2 -0.63 0.02 0.16 -0.04 3.26 2.77 2odpA1 HIS 461 HB3 -0.31 0.01 0.11 -0.04 3.20 2.97 2odpA1 HIS 461 HD2 0.13 -0.11 0.09 -0.04 6.97 7.04 2odpA1 HIS 461 HE1 0.01 0.03 -0.12 -0.04 7.75 7.63 2odpA1 VAL 462 H -0.36 0.45 0.39 -0.55 8.24 8.17 2odpA1 VAL 462 HA -0.12 0.30 0.93 -0.75 4.13 4.49 2odpA1 VAL 462 HB -0.05 0.07 -0.08 -0.04 2.12 2.03 2odpA1 VAL 462 HG13 -0.05 0.01 -0.23 -0.04 0.97 0.66 2odpA1 VAL 462 HG23 -0.04 -0.03 -0.39 -0.04 0.95 0.45 2odpA1 THR 463 H -0.05 0.53 0.30 -0.55 8.28 8.52 2odpA1 THR 463 HA -0.09 0.24 1.07 -0.75 4.39 4.85 2odpA1 THR 463 HB 0.02 -0.09 0.12 -0.04 4.32 4.33 2odpA1 THR 463 HG23 0.02 0.02 -0.06 -0.04 1.22 1.16 2odpA1 ILE 464 H -0.05 0.83 0.24 -0.55 8.25 8.72 2odpA1 ILE 464 HA 0.02 0.19 0.91 -0.75 4.18 4.55 2odpA1 ILE 464 HB -0.12 -0.01 -0.15 -0.04 1.89 1.57 2odpA1 ILE 464 HG12 0.05 0.00 -0.32 -0.04 1.49 1.18 2odpA1 ILE 464 HG13 -0.02 -0.08 -0.63 -0.04 1.21 0.43 2odpA1 ILE 464 HG23 -0.04 -0.00 -0.36 -0.04 0.93 0.48 2odpA1 ILE 464 HD13 0.04 0.02 -0.39 -0.04 0.88 0.51 2odpA1 LYS 465 H 0.05 0.78 0.18 -0.55 8.42 8.87 2odpA1 LYS 465 HA -0.01 0.18 0.66 -0.75 4.32 4.39 2odpA1 LYS 465 HB2 0.08 -0.06 0.22 -0.04 1.87 2.07 2odpA1 LYS 465 HB3 0.05 -0.01 0.07 -0.04 1.79 1.87 2odpA1 LYS 465 HG2 0.04 -0.03 -0.06 -0.04 1.46 1.37 2odpA1 LYS 465 HG3 0.03 0.07 -0.26 -0.04 1.46 1.26 2odpA1 LYS 465 HD2 0.05 0.11 -0.24 -0.04 1.69 1.58 2odpA1 LYS 465 HD3 0.07 -0.07 -0.17 -0.04 1.68 1.47 2odpA1 LYS 465 HE2 0.04 0.02 -0.22 -0.04 2.99 2.80 2odpA1 LYS 465 HE3 0.06 -0.04 -0.12 -0.04 2.99 2.85 2odpA1 PRO 466 HA -0.27 0.14 0.45 -0.51 4.44 4.25 2odpA1 PRO 466 HB2 -0.31 0.03 0.22 -0.04 2.28 2.18 2odpA1 PRO 466 HB3 -0.79 -0.02 -0.33 -0.04 2.02 0.84 2odpA1 PRO 466 HG2 -0.27 0.15 0.32 -0.04 2.03 2.19 2odpA1 PRO 466 HG3 -0.42 -0.00 -0.24 -0.04 2.03 1.33 2odpA1 PRO 466 HD2 -0.08 0.11 -354.27 -0.04 3.68 -350.60 2odpA1 PRO 466 HD3 -0.11 0.31 -0.74 -0.04 3.65 3.07 2odpA1 THR 471 HA -0.06 0.14 0.40 -0.75 4.39 4.12 2odpA1 THR 471 HB -0.00 -0.11 0.13 -0.04 4.32 4.29 2odpA1 THR 471 HG23 0.01 -0.01 -0.04 -0.04 1.22 1.14 2odpA1 CYS 472 H -0.09 0.49 0.37 -0.55 8.50 8.73 2odpA1 CYS 472 HA -0.07 0.17 0.59 -0.75 4.58 4.51 2odpA1 CYS 472 HB2 -0.29 -0.09 -0.05 -0.04 2.97 2.50 2odpA1 CYS 472 HB3 -0.20 0.09 0.12 -0.04 2.97 2.94 2odpA1 ARG 473 H -0.04 0.73 0.21 -0.55 8.46 8.81 2odpA1 ARG 473 HA -0.10 0.18 0.96 -0.75 4.34 4.63 2odpA1 ARG 473 HB2 0.09 -0.04 -0.01 -0.04 1.90 1.89 2odpA1 ARG 473 HB3 -0.08 -0.01 0.22 -0.04 1.80 1.89 2odpA1 ARG 473 HG2 0.08 0.17 -0.06 -0.04 1.67 1.82 2odpA1 ARG 473 HG3 0.27 -0.04 -0.03 -0.04 1.67 1.83 2odpA1 ARG 473 HD2 -0.10 0.05 0.04 -0.04 3.22 3.16 2odpA1 ARG 473 HD3 -0.02 0.13 0.09 -0.04 3.22 3.37 2odpA1 GLY 474 H -0.14 0.51 0.32 -0.55 8.43 8.57 2odpA1 GLY 474 HA2 0.04 0.38 0.63 -0.51 4.01 4.56 2odpA1 GLY 474 HA3 0.02 -0.06 0.17 -0.51 4.01 3.63 2odpA1 ALA 475 H 0.10 0.58 0.35 -0.55 8.40 8.88 2odpA1 ALA 475 HA 0.21 0.37 0.93 -0.75 4.34 5.09 2odpA1 ALA 475 HB3 0.14 -0.03 0.06 -0.04 1.41 1.54 2odpA1 LEU 476 H 0.14 0.74 0.30 -0.55 8.37 9.01 2odpA1 LEU 476 HA 0.07 0.08 0.73 -0.75 4.35 4.48 2odpA1 LEU 476 HB2 0.11 0.08 0.20 -0.04 1.64 1.99 2odpA1 LEU 476 HB3 0.05 0.02 -0.11 -0.04 1.64 1.56 2odpA1 LEU 476 HG -0.02 0.04 -0.03 -0.04 1.64 1.59 2odpA1 LEU 476 HD13 -0.03 0.03 -0.12 -0.04 0.93 0.77 2odpA1 LEU 476 HD23 -0.08 0.01 -0.09 -0.04 0.89 0.69 2odpA1 ILE 477 H 0.11 0.55 0.46 -0.55 8.25 8.82 2odpA1 ILE 477 HA 0.02 0.22 1.04 -0.75 4.18 4.70 2odpA1 ILE 477 HB 0.01 -0.04 0.10 -0.04 1.89 1.91 2odpA1 ILE 477 HG12 0.16 0.05 -0.21 -0.04 1.49 1.44 2odpA1 ILE 477 HG13 0.13 -0.03 -0.19 -0.04 1.21 1.08 2odpA1 ILE 477 HG23 0.04 0.03 -0.16 -0.04 0.93 0.80 2odpA1 ILE 477 HD13 0.05 -0.02 -0.14 -0.04 0.88 0.73 2odpA1 SER 478 H 0.10 0.28 0.33 -0.55 8.46 8.62 2odpA1 SER 478 HA 0.04 0.22 0.44 -0.75 4.49 4.43 2odpA1 SER 478 HB2 0.09 0.04 0.24 -0.04 3.95 4.28 2odpA1 SER 478 HB3 0.06 0.16 -0.03 -0.04 3.93 4.07 2odpA1 ASP 479 H 0.07 0.19 0.17 -0.55 8.40 8.28 2odpA1 ASP 479 HA 0.01 0.25 0.66 -0.75 4.63 4.79 2odpA1 ASP 479 HB2 0.02 0.25 0.24 -0.04 2.71 3.18 2odpA1 ASP 479 HB3 0.03 0.02 0.10 -0.04 2.70 2.82 2odpA1 GLN 480 H 0.14 -0.13 -0.23 -0.55 8.47 7.70 2odpA1 GLN 480 HA -0.08 0.24 0.62 -0.75 4.36 4.38 2odpA1 GLN 480 HB2 0.04 -0.05 -0.19 -0.04 2.15 1.91 2odpA1 GLN 480 HB3 -0.08 -0.01 -0.03 -0.04 2.02 1.85 2odpA1 GLN 480 HG2 -0.21 -0.01 0.09 -0.04 2.40 2.23 2odpA1 GLN 480 HG3 -0.05 0.11 -0.29 -0.04 2.39 2.12 2odpA1 GLN 480 HE21 -0.04 -0.07 -0.11 -0.04 6.97 6.71 2odpA1 GLN 480 HE22 -0.09 0.45 -0.19 -0.04 7.69 7.82 2odpA1 TRP 481 H 0.25 -0.06 0.05 -0.55 7.97 7.65 2odpA1 TRP 481 HA 0.00 0.45 1.25 -0.75 4.62 5.58 2odpA1 TRP 481 HB2 0.00 -0.11 0.03 -0.04 3.23 3.11 2odpA1 TRP 481 HB3 0.02 0.06 -0.07 -0.04 3.23 3.19 2odpA1 TRP 481 HD1 0.00 -0.12 -0.11 -0.04 7.22 6.95 2odpA1 TRP 481 HE1 0.01 0.02 -0.07 -0.04 10.20 10.12 2odpA1 TRP 481 HE3 0.01 0.01 -0.23 -0.04 7.59 7.34 2odpA1 TRP 481 HZ2 0.00 0.00 -0.05 -0.04 7.44 7.35 2odpA1 TRP 481 HZ3 -0.04 -0.03 -0.25 -0.04 7.13 6.77 2odpA1 TRP 481 HH2 -0.02 -0.00 -0.10 -0.04 7.19 7.03 2odpA1 VAL 482 H 0.23 0.61 0.37 -0.55 8.24 8.90 2odpA1 VAL 482 HA 0.12 0.27 0.95 -0.75 4.13 4.72 2odpA1 VAL 482 HB 0.07 -0.03 0.01 -0.04 2.12 2.14 2odpA1 VAL 482 HG13 0.08 -0.02 -0.36 -0.04 0.97 0.62 2odpA1 VAL 482 HG23 0.00 0.00 -0.32 -0.04 0.95 0.59 2odpA1 LEU 483 H 0.13 0.75 0.37 -0.55 8.37 9.07 2odpA1 LEU 483 HA 0.20 0.20 1.11 -0.75 4.35 5.10 2odpA1 LEU 483 HB2 0.14 -0.06 0.04 -0.04 1.64 1.72 2odpA1 LEU 483 HB3 0.10 0.00 0.16 -0.04 1.64 1.87 2odpA1 LEU 483 HG 0.11 0.07 -0.16 -0.04 1.64 1.62 2odpA1 LEU 483 HD13 0.23 0.02 0.03 -0.04 0.93 1.18 2odpA1 LEU 483 HD23 0.08 -0.02 -0.08 -0.04 0.89 0.83 2odpA1 THR 484 H 0.15 0.63 0.39 -0.55 8.28 8.90 2odpA1 THR 484 HA 0.05 0.40 0.87 -0.75 4.39 4.95 2odpA1 THR 484 HB 0.09 -0.03 -0.35 -0.04 4.32 3.98 2odpA1 THR 484 HG23 0.27 0.01 -0.31 -0.04 1.22 1.15 2odpA1 ALA 485 H -0.11 0.25 0.20 -0.55 8.40 8.19 2odpA1 ALA 485 HA -0.11 0.22 0.70 -0.75 4.34 4.40 2odpA1 ALA 485 HB3 -0.29 0.02 0.11 -0.04 1.41 1.21 2odpA1 ALA 486 H -0.26 0.11 -0.41 -0.55 8.40 7.30 2odpA1 ALA 486 HA 0.02 0.11 0.41 -0.75 4.34 4.12 2odpA1 ALA 486 HB3 -0.50 0.07 0.11 -0.04 1.41 1.04 2odpA1 HIS 487 H -0.53 0.07 -0.25 -0.55 8.41 7.16 2odpA1 HIS 487 HA -0.14 0.09 0.16 -0.75 4.63 3.99 2odpA1 HIS 487 HB2 0.24 0.03 0.08 -0.04 3.26 3.57 2odpA1 HIS 487 HB3 -0.02 -0.08 0.06 -0.04 3.20 3.12 2odpA1 HIS 487 HD2 -0.01 0.04 -0.31 -0.04 6.97 6.64 2odpA1 HIS 487 HE1 -0.02 0.05 0.17 -0.04 7.75 7.90 2odpA1 CYS 488 H -0.65 0.12 -0.70 -0.55 8.50 6.72 2odpA1 CYS 488 HA -0.40 0.10 0.29 -0.75 4.58 3.81 2odpA1 CYS 488 HB2 -1.29 0.10 -0.09 -0.04 2.97 1.65 2odpA1 CYS 488 HB3 -0.98 0.00 -0.07 -0.04 2.97 1.88 2odpA1 PHE 489 H -0.21 0.37 -0.52 -0.55 8.34 7.42 2odpA1 PHE 489 HA -0.24 0.23 0.70 -0.75 4.62 4.56 2odpA1 PHE 489 HB2 -0.05 0.05 0.03 -0.04 3.15 3.14 2odpA1 PHE 489 HB3 -0.04 -0.02 0.04 -0.04 3.06 3.00 2odpA1 PHE 489 HD2 -1.04 0.03 -0.14 -0.04 7.28 6.09 2odpA1 PHE 489 HE2 -0.62 0.00 -0.30 -0.04 7.38 6.43 2odpA1 PHE 489 HZ -0.23 -0.01 -0.27 -0.04 7.32 6.76 2odpA1 TRP 498 HA 0.06 0.21 0.36 -0.75 4.62 4.50 2odpA1 TRP 498 HB2 0.05 -0.12 -0.07 -0.04 3.23 3.05 2odpA1 TRP 498 HB3 0.12 0.01 -0.08 -0.04 3.23 3.24 2odpA1 TRP 498 HD1 0.08 0.39 0.27 -0.04 7.22 7.93 2odpA1 TRP 498 HE1 0.12 -0.02 -1.82 -0.04 10.20 8.44 2odpA1 TRP 498 HE3 -0.07 -0.01 -0.13 -0.04 7.59 7.33 2odpA1 TRP 498 HZ2 0.12 -0.03 0.06 -0.04 7.44 7.56 2odpA1 TRP 498 HZ3 -0.53 -0.05 -0.08 -0.04 7.13 6.43 2odpA1 TRP 498 HH2 -0.27 -0.03 -0.02 -0.04 7.19 6.84 2odpA1 ARG 499 H 0.23 0.62 0.28 -0.55 8.46 9.03 2odpA1 ARG 499 HA 0.15 0.23 0.86 -0.75 4.34 4.82 2odpA1 ARG 499 HB2 0.10 -0.04 0.07 -0.04 1.90 1.99 2odpA1 ARG 499 HB3 0.10 -0.04 -0.02 -0.04 1.80 1.79 2odpA1 ARG 499 HG2 0.11 0.04 -0.36 -0.04 1.67 1.42 2odpA1 ARG 499 HG3 0.07 -0.08 -0.07 -0.04 1.67 1.55 2odpA1 ARG 499 HD2 0.06 -0.09 -0.08 -0.04 3.22 3.07 2odpA1 ARG 499 HD3 0.09 0.23 0.15 -0.04 3.22 3.64 2odpA1 VAL 500 H 0.15 0.69 0.28 -0.55 8.24 8.81 2odpA1 VAL 500 HA 0.08 0.28 0.94 -0.75 4.13 4.67 2odpA1 VAL 500 HB 0.11 -0.04 0.02 -0.04 2.12 2.17 2odpA1 VAL 500 HG13 0.01 -0.00 -0.31 -0.04 0.97 0.63 2odpA1 VAL 500 HG23 0.11 -0.01 -0.29 -0.04 0.95 0.72 2odpA1 ASN 501 H 0.06 0.75 0.25 -0.55 8.53 9.04 2odpA1 ASN 501 HA 0.14 0.21 0.89 -0.75 4.76 5.26 2odpA1 ASN 501 HB2 0.08 -0.04 -0.03 -0.04 2.88 2.85 2odpA1 ASN 501 HB3 0.06 -0.07 0.15 -0.04 2.79 2.89 2odpA1 ASN 501 HD21 0.14 0.43 -0.05 -0.04 7.03 7.52 2odpA1 ASN 501 HD22 0.11 -0.13 -0.20 -0.04 7.74 7.47 2odpA1 VAL 502 H 0.18 0.64 0.34 -0.55 8.24 8.86 2odpA1 VAL 502 HA -0.02 0.16 0.70 -0.75 4.13 4.22 2odpA1 VAL 502 HB 0.13 0.03 0.10 -0.04 2.12 2.34 2odpA1 VAL 502 HG13 -0.11 0.06 -0.01 -0.04 0.97 0.87 2odpA1 VAL 502 HG23 -0.26 -0.01 -0.21 -0.04 0.95 0.42 2odpA1 GLY 503 H -0.02 0.29 0.21 -0.55 8.43 8.37 2odpA1 GLY 503 HA2 0.04 -0.07 0.51 -0.51 4.01 3.98 2odpA1 GLY 503 HA3 0.03 0.52 0.38 -0.51 4.01 4.43 2odpA1 ASP 504 H 0.05 0.25 0.12 -0.55 8.40 8.28 2odpA1 ASP 504 HA 0.01 0.21 0.51 -0.75 4.63 4.61 2odpA1 ASP 504 HB2 0.07 0.15 -0.34 -0.04 2.71 2.55 2odpA1 ASP 504 HB3 0.01 -0.06 -0.02 -0.04 2.70 2.59 2odpA1 PRO 505 HA -1.55 0.08 0.32 -0.51 4.44 2.78 2odpA1 PRO 505 HB2 -0.15 0.05 0.00 -0.04 2.28 2.14 2odpA1 PRO 505 HB3 -0.20 0.02 0.08 -0.04 2.02 1.88 2odpA1 PRO 505 HG2 -0.04 0.11 0.05 -0.04 2.03 2.11 2odpA1 PRO 505 HG3 -0.01 -0.10 0.02 -0.04 2.03 1.89 2odpA1 PRO 505 HD2 -0.06 0.11 0.14 -0.04 3.68 3.83 2odpA1 PRO 505 HD3 -0.02 0.24 0.08 -0.04 3.65 3.90 2odpA1 LYS 506 H -0.13 0.05 -0.43 -0.55 8.42 7.37 2odpA1 LYS 506 HA -0.09 0.17 0.50 -0.75 4.32 4.15 2odpA1 LYS 506 HB2 -0.03 0.01 0.02 -0.04 1.87 1.84 2odpA1 LYS 506 HB3 -0.02 0.00 0.07 -0.04 1.79 1.80 2odpA1 LYS 506 HG2 -0.05 0.04 -0.13 -0.04 1.46 1.28 2odpA1 LYS 506 HG3 -0.05 -0.02 -0.06 -0.04 1.46 1.29 2odpA1 LYS 506 HD2 -0.01 0.00 -0.01 -0.04 1.69 1.63 2odpA1 LYS 506 HD3 -0.02 -0.01 -0.01 -0.04 1.68 1.61 2odpA1 LYS 506 HE2 -0.02 -0.00 -0.02 -0.04 2.99 2.91 2odpA1 LYS 506 HE3 -0.02 0.01 -0.02 -0.04 2.99 2.91 2odpA1 SER 507 H -0.07 0.30 -0.11 -0.55 8.46 8.03 2odpA1 SER 507 HA -0.06 0.12 0.31 -0.75 4.49 4.10 2odpA1 SER 507 HB2 0.20 -0.02 0.16 -0.04 3.95 4.25 2odpA1 SER 507 HB3 0.12 0.14 -0.14 -0.04 3.93 4.01 2odpA1 GLN 508 H -0.26 0.19 0.11 -0.55 8.47 7.96 2odpA1 GLN 508 HA -0.21 0.07 0.46 -0.75 4.36 3.93 2odpA1 GLN 508 HB2 -0.47 0.03 0.13 -0.04 2.15 1.79 2odpA1 GLN 508 HB3 -0.38 -0.01 0.15 -0.04 2.02 1.73 2odpA1 GLN 508 HG2 -1.24 -0.05 0.02 -0.04 2.40 1.09 2odpA1 GLN 508 HG3 -2.31 0.08 -0.35 -0.04 2.39 -0.23 2odpA1 GLN 508 HE21 -0.48 0.00 -0.01 -0.04 6.97 6.44 2odpA1 GLN 508 HE22 -0.88 0.04 -0.06 -0.04 7.69 6.76 2odpA1 TRP 509 H -0.11 -0.05 -0.75 -0.55 7.97 6.52 2odpA1 TRP 509 HA 0.01 0.12 0.38 -0.75 4.62 4.38 2odpA1 TRP 509 HB2 -0.00 0.05 -0.04 -0.04 3.23 3.20 2odpA1 TRP 509 HB3 0.01 0.01 0.04 -0.04 3.23 3.25 2odpA1 TRP 509 HD1 -0.01 0.02 -0.00 -0.04 7.22 7.19 2odpA1 TRP 509 HE1 -0.00 -0.01 -0.00 -0.04 10.20 10.15 2odpA1 TRP 509 HE3 0.01 0.07 -0.04 -0.04 7.59 7.59 2odpA1 TRP 509 HZ2 0.00 -0.02 -0.02 -0.04 7.44 7.36 2odpA1 TRP 509 HZ3 0.01 0.03 -0.04 -0.04 7.13 7.08 2odpA1 TRP 509 HH2 0.00 -0.01 -0.03 -0.04 7.19 7.12 2odpA1 GLY 510 H 0.07 0.37 -0.17 -0.55 8.43 8.14 2odpA1 GLY 510 HA2 0.07 -0.05 0.30 -0.51 4.01 3.81 2odpA1 GLY 510 HA3 0.10 0.12 0.30 -0.51 4.01 4.01 2odpA1 LYS 511 H 0.14 0.67 0.25 -0.55 8.42 8.93 2odpA1 LYS 511 HA 0.07 0.08 0.83 -0.75 4.32 4.54 2odpA1 LYS 511 HB2 0.10 -0.06 -0.13 -0.04 1.87 1.73 2odpA1 LYS 511 HB3 0.30 0.05 0.03 -0.04 1.79 2.13 2odpA1 LYS 511 HG2 -0.22 0.17 -0.20 -0.04 1.46 1.17 2odpA1 LYS 511 HG3 -0.06 -0.06 0.05 -0.04 1.46 1.35 2odpA1 LYS 511 HD2 0.10 -0.00 -0.02 -0.04 1.69 1.72 2odpA1 LYS 511 HD3 -0.22 0.02 -0.05 -0.04 1.68 1.39 2odpA1 LYS 511 HE2 -0.05 -0.03 0.00 -0.04 2.99 2.87 2odpA1 LYS 511 HE3 -0.03 -0.03 0.00 -0.04 2.99 2.88 2odpA1 GLU 512 H 0.01 0.10 0.12 -0.55 8.60 8.28 2odpA1 GLU 512 HA 0.13 0.19 0.67 -0.75 4.29 4.53 2odpA1 GLU 512 HB2 -0.02 -0.05 0.08 -0.04 2.09 2.05 2odpA1 GLU 512 HB3 0.03 0.04 -0.05 -0.04 1.99 1.97 2odpA1 GLU 512 HG2 0.04 -0.02 -0.02 -0.04 2.34 2.30 2odpA1 GLU 512 HG3 0.02 -0.02 -0.02 -0.04 2.34 2.28 2odpA1 PHE 513 H 0.26 0.73 0.43 -0.55 8.34 9.21 2odpA1 PHE 513 HA 0.01 0.08 0.89 -0.75 4.62 4.84 2odpA1 PHE 513 HB2 0.01 0.07 0.13 -0.04 3.15 3.33 2odpA1 PHE 513 HB3 -0.00 0.01 0.08 -0.04 3.06 3.10 2odpA1 PHE 513 HD2 0.00 0.04 -0.11 -0.04 7.28 7.16 2odpA1 PHE 513 HE2 0.00 0.07 -0.24 -0.04 7.38 7.18 2odpA1 PHE 513 HZ 0.01 -0.07 -0.01 -0.04 7.32 7.20 2odpA1 LEU 514 H 0.05 0.07 0.16 -0.55 8.37 8.11 2odpA1 LEU 514 HA 0.09 0.33 0.96 -0.75 4.35 4.97 2odpA1 LEU 514 HB2 0.01 -0.07 0.01 -0.04 1.64 1.55 2odpA1 LEU 514 HB3 0.01 0.09 0.17 -0.04 1.64 1.88 2odpA1 LEU 514 HG -0.02 -0.06 0.03 -0.04 1.64 1.55 2odpA1 LEU 514 HD13 -0.02 0.00 0.01 -0.04 0.93 0.89 2odpA1 LEU 514 HD23 0.02 0.02 -0.07 -0.04 0.89 0.82 2odpA1 ILE 515 H 0.03 0.30 0.12 -0.55 8.25 8.16 2odpA1 ILE 515 HA -0.01 0.12 0.77 -0.75 4.18 4.31 2odpA1 ILE 515 HB 0.05 0.06 0.00 -0.04 1.89 1.96 2odpA1 ILE 515 HG12 0.11 -0.02 -0.26 -0.04 1.49 1.28 2odpA1 ILE 515 HG13 0.14 -0.05 -0.47 -0.04 1.21 0.79 2odpA1 ILE 515 HG23 0.00 0.01 -0.34 -0.04 0.93 0.55 2odpA1 ILE 515 HD13 0.46 0.02 -0.28 -0.04 0.88 1.04 2odpA1 GLU 516 H -0.12 0.77 0.21 -0.55 8.60 8.91 2odpA1 GLU 516 HA -0.08 0.09 0.72 -0.75 4.29 4.27 2odpA1 GLU 516 HB2 -0.09 -0.03 -0.07 -0.04 2.09 1.86 2odpA1 GLU 516 HB3 -0.19 0.12 -0.15 -0.04 1.99 1.73 2odpA1 GLU 516 HG2 -0.11 -0.03 -0.30 -0.04 2.34 1.86 2odpA1 GLU 516 HG3 -0.07 -0.04 0.01 -0.04 2.34 2.20 2odpA1 LYS 517 H -0.17 0.41 0.15 -0.55 8.42 8.25 2odpA1 LYS 517 HA -0.09 0.14 0.74 -0.75 4.32 4.37 2odpA1 LYS 517 HB2 -0.11 0.04 -0.33 -0.04 1.87 1.43 2odpA1 LYS 517 HB3 -0.24 -0.10 0.02 -0.04 1.79 1.43 2odpA1 LYS 517 HG2 0.04 -0.01 -0.22 -0.04 1.46 1.23 2odpA1 LYS 517 HG3 -0.00 0.05 0.01 -0.04 1.46 1.47 2odpA1 LYS 517 HD2 0.03 0.01 -0.07 -0.04 1.69 1.63 2odpA1 LYS 517 HD3 0.12 -0.03 -0.08 -0.04 1.68 1.65 2odpA1 LYS 517 HE2 0.18 -0.01 -0.08 -0.04 2.99 3.04 2odpA1 LYS 517 HE3 0.08 0.02 -0.03 -0.04 2.99 3.01 2odpA1 ALA 518 H -0.05 0.24 0.17 -0.55 8.40 8.22 2odpA1 ALA 518 HA 0.02 0.24 0.91 -0.75 4.34 4.76 2odpA1 ALA 518 HB3 0.08 0.01 0.02 -0.04 1.41 1.48 2odpA1 VAL 519 H 0.13 1.02 0.27 -0.55 8.24 9.10 2odpA1 VAL 519 HA 0.08 0.17 0.93 -0.75 4.13 4.56 2odpA1 VAL 519 HB 0.04 -0.10 0.17 -0.04 2.12 2.20 2odpA1 VAL 519 HG13 -0.52 0.01 -0.11 -0.04 0.97 0.31 2odpA1 VAL 519 HG23 0.18 0.02 -0.19 -0.04 0.95 0.92 2odpA1 ILE 520 H 0.14 0.23 0.10 -0.55 8.25 8.18 2odpA1 ILE 520 HA 0.14 0.11 0.94 -0.75 4.18 4.62 2odpA1 ILE 520 HB 0.13 0.00 0.08 -0.04 1.89 2.06 2odpA1 ILE 520 HG12 0.05 0.04 -0.06 -0.04 1.49 1.47 2odpA1 ILE 520 HG13 0.01 -0.12 -0.36 -0.04 1.21 0.69 2odpA1 ILE 520 HG23 0.12 0.04 -0.03 -0.04 0.93 1.02 2odpA1 ILE 520 HD13 0.08 0.02 -0.06 -0.04 0.88 0.88 2odpA1 SER 521 H -0.14 0.56 0.40 -0.55 8.46 8.74 2odpA1 SER 521 HA 0.15 0.04 0.39 -0.75 4.49 4.32 2odpA1 SER 521 HB2 -1.15 -0.00 0.20 -0.04 3.95 2.95 2odpA1 SER 521 HB3 -0.29 0.18 0.38 -0.04 3.93 4.16 2odpA1 PRO 522 HA 0.12 0.18 0.59 -0.51 4.44 4.82 2odpA1 PRO 522 HB2 0.11 0.01 0.05 -0.04 2.28 2.40 2odpA1 PRO 522 HB3 0.14 0.05 0.15 -0.04 2.02 2.32 2odpA1 PRO 522 HG2 0.16 -0.03 0.05 -0.04 2.03 2.17 2odpA1 PRO 522 HG3 0.20 0.03 0.08 -0.04 2.03 2.31 2odpA1 PRO 522 HD2 0.31 -0.01 0.25 -0.04 3.68 4.19 2odpA1 PRO 522 HD3 0.35 0.23 0.23 -0.04 3.65 4.42 2odpA1 GLY 523 H 0.04 0.02 -0.22 -0.55 8.43 7.73 2odpA1 GLY 523 HA2 0.05 0.07 0.46 -0.51 4.01 4.09 2odpA1 GLY 523 HA3 0.04 -0.08 0.22 -0.51 4.01 3.68 2odpA1 PHE 524 H 0.15 0.28 -0.40 -0.55 8.34 7.82 2odpA1 PHE 524 HA -0.03 0.15 0.22 -0.75 4.62 4.21 2odpA1 PHE 524 HB2 -0.06 0.18 0.06 -0.04 3.15 3.30 2odpA1 PHE 524 HB3 -0.01 0.09 0.09 -0.04 3.06 3.19 2odpA1 PHE 524 HD2 -0.01 0.15 -0.29 -0.04 7.28 7.09 2odpA1 PHE 524 HE2 -0.00 0.04 -0.08 -0.04 7.38 7.29 2odpA1 PHE 524 HZ -0.06 0.03 -0.03 -0.04 7.32 7.23 2odpA1 ASP 525 H -0.68 0.25 0.03 -0.55 8.40 7.44 2odpA1 ASP 525 HA -0.41 0.07 0.60 -0.75 4.63 4.13 2odpA1 ASP 525 HB2 -0.10 0.21 -0.13 -0.04 2.71 2.65 2odpA1 ASP 525 HB3 -0.12 0.02 0.08 -0.04 2.70 2.64 2odpA1 VAL 526 H -0.78 0.22 0.13 -0.55 8.24 7.26 2odpA1 VAL 526 HA -0.78 0.42 0.40 -0.75 4.13 3.41 2odpA1 VAL 526 HB -0.55 0.03 0.13 -0.04 2.12 1.68 2odpA1 VAL 526 HG13 -1.20 0.03 0.01 -0.04 0.97 -0.24 2odpA1 VAL 526 HG23 -0.82 0.01 0.05 -0.04 0.95 0.15 2odpA1 PHE 527 H -0.41 0.07 -0.19 -0.55 8.34 7.26 2odpA1 PHE 527 HA -0.10 0.29 0.82 -0.75 4.62 4.88 2odpA1 PHE 527 HB2 -0.07 0.00 0.07 -0.04 3.15 3.12 2odpA1 PHE 527 HB3 -0.06 -0.03 0.20 -0.04 3.06 3.13 2odpA1 PHE 527 HD2 -0.06 0.15 0.07 -0.04 7.28 7.40 2odpA1 PHE 527 HE2 -0.03 0.04 0.02 -0.04 7.38 7.37 2odpA1 PHE 527 HZ -0.01 0.02 0.01 -0.04 7.32 7.29 2odpA1 ALA 528 H -0.11 0.61 -0.33 -0.55 8.40 8.04 2odpA1 ALA 528 HA -0.03 0.01 0.30 -0.75 4.34 3.87 2odpA1 ALA 528 HB3 -0.05 0.01 0.10 -0.04 1.41 1.43 2odpA1 LYS 529 H -0.04 0.18 -0.40 -0.55 8.42 7.60 2odpA1 LYS 529 HA -0.10 0.17 0.85 -0.75 4.32 4.49 2odpA1 LYS 529 HB2 -0.14 0.13 -0.02 -0.04 1.87 1.80 2odpA1 LYS 529 HB3 -0.14 -0.04 0.07 -0.04 1.79 1.64 2odpA1 LYS 529 HG2 -0.29 0.04 -0.15 -0.04 1.46 1.01 2odpA1 LYS 529 HG3 -0.53 -0.06 -0.19 -0.04 1.46 0.64 2odpA1 LYS 529 HD2 -0.66 0.08 0.01 -0.04 1.69 1.08 2odpA1 LYS 529 HD3 -0.33 -0.03 -0.00 -0.04 1.68 1.28 2odpA1 LYS 529 HE2 -0.46 -0.04 -0.01 -0.04 2.99 2.43 2odpA1 LYS 529 HE3 -1.39 -0.06 -0.02 -0.04 2.99 1.48 2odpA1 LYS 530 H 0.02 0.46 -0.22 -0.55 8.42 8.13 2odpA1 LYS 530 HA 0.03 0.12 -0.04 -0.75 4.32 3.67 2odpA1 LYS 530 HB2 0.14 0.04 0.18 -0.04 1.87 2.19 2odpA1 LYS 530 HB3 0.01 -0.01 0.13 -0.04 1.79 1.88 2odpA1 LYS 530 HG2 -0.06 -0.04 -0.12 -0.04 1.46 1.20 2odpA1 LYS 530 HG3 -0.01 0.00 0.07 -0.04 1.46 1.49 2odpA1 LYS 530 HD2 -0.35 0.04 0.09 -0.04 1.69 1.43 2odpA1 LYS 530 HD3 -0.26 -0.04 0.02 -0.04 1.68 1.36 2odpA1 LYS 530 HE2 -0.20 -0.04 0.01 -0.04 2.99 2.72 2odpA1 LYS 530 HE3 -0.12 0.01 0.04 -0.04 2.99 2.87 2odpA1 ASN 531 H -0.02 0.16 -0.20 -0.55 8.53 7.92 2odpA1 ASN 531 HA -0.03 0.07 0.28 -0.75 4.76 4.33 2odpA1 ASN 531 HB2 -0.02 0.02 0.03 -0.04 2.88 2.86 2odpA1 ASN 531 HB3 -0.02 0.01 0.05 -0.04 2.79 2.78 2odpA1 ASN 531 HD21 -0.02 -0.01 0.00 -0.04 7.03 6.96 2odpA1 ASN 531 HD22 -0.02 0.01 0.00 -0.04 7.74 7.69 2odpA1 GLN 532 H -0.03 0.25 -0.48 -0.55 8.47 7.67 2odpA1 GLN 532 HA -0.02 0.19 0.92 -0.75 4.36 4.70 2odpA1 GLN 532 HB2 -0.05 0.04 0.07 -0.04 2.15 2.16 2odpA1 GLN 532 HB3 -0.04 -0.00 0.18 -0.04 2.02 2.12 2odpA1 GLN 532 HG2 -0.03 0.05 -0.06 -0.04 2.40 2.32 2odpA1 GLN 532 HG3 -0.03 -0.07 -0.18 -0.04 2.39 2.06 2odpA1 GLN 532 HE21 -0.05 -0.03 -0.00 -0.04 6.97 6.85 2odpA1 GLN 532 HE22 -0.06 0.03 -0.00 -0.04 7.69 7.62 2odpA1 GLY 533 H -0.01 0.48 -0.26 -0.55 8.43 8.09 2odpA1 GLY 533 HA2 0.01 0.05 0.23 -0.51 4.01 3.79 2odpA1 GLY 533 HA3 0.01 0.04 0.28 -0.51 4.01 3.83 2odpA1 ILE 534 H 0.01 0.37 -0.28 -0.55 8.25 7.81 2odpA1 ILE 534 HA 0.23 0.16 0.62 -0.75 4.18 4.44 2odpA1 ILE 534 HB -0.04 -0.05 -0.00 -0.04 1.89 1.75 2odpA1 ILE 534 HG12 0.03 -0.02 -0.06 -0.04 1.49 1.41 2odpA1 ILE 534 HG13 0.02 0.14 -0.47 -0.04 1.21 0.85 2odpA1 ILE 534 HG23 0.02 -0.01 -0.15 -0.04 0.93 0.75 2odpA1 ILE 534 HD13 -0.11 -0.03 -0.12 -0.04 0.88 0.58 2odpA1 LEU 535 H 0.12 0.78 0.18 -0.55 8.37 8.90 2odpA1 LEU 535 HA 0.06 -0.05 0.07 -0.75 4.35 3.68 2odpA1 LEU 535 HB2 -0.02 0.15 0.22 -0.04 1.64 1.95 2odpA1 LEU 535 HB3 0.03 -0.06 0.06 -0.04 1.64 1.63 2odpA1 LEU 535 HG -0.01 -0.07 0.04 -0.04 1.64 1.56 2odpA1 LEU 535 HD13 0.01 0.03 -0.14 -0.04 0.93 0.79 2odpA1 LEU 535 HD23 -0.04 0.02 0.09 -0.04 0.89 0.92 2odpA1 GLU 536 H 0.11 0.20 -0.12 -0.55 8.60 8.24 2odpA1 GLU 536 HA -0.16 0.28 0.77 -0.75 4.29 4.43 2odpA1 GLU 536 HB2 0.01 -0.04 0.05 -0.04 2.09 2.06 2odpA1 GLU 536 HB3 -0.22 -0.03 -0.06 -0.04 1.99 1.64 2odpA1 GLU 536 HG2 -0.12 0.01 0.04 -0.04 2.34 2.23 2odpA1 GLU 536 HG3 0.07 0.04 -0.25 -0.04 2.34 2.15 2odpA1 PHE 537 H -0.43 0.54 0.31 -0.55 8.34 8.21 2odpA1 PHE 537 HA -0.40 0.11 0.83 -0.75 4.62 4.41 2odpA1 PHE 537 HB2 -0.19 0.09 -0.12 -0.04 3.15 2.88 2odpA1 PHE 537 HB3 -0.25 -0.01 0.09 -0.04 3.06 2.84 2odpA1 PHE 537 HD2 -0.18 0.09 0.06 -0.04 7.28 7.21 2odpA1 PHE 537 HE2 -0.00 0.04 -0.07 -0.04 7.38 7.31 2odpA1 PHE 537 HZ 0.06 -0.05 -0.02 -0.04 7.32 7.27 2odpA1 TYR 538 H -0.73 0.21 0.10 -0.55 8.29 7.32 2odpA1 TYR 538 HA 0.01 0.21 0.57 -0.75 4.56 4.60 2odpA1 TYR 538 HB2 -0.37 0.03 0.01 -0.04 3.06 2.69 2odpA1 TYR 538 HB3 0.29 -0.05 0.11 -0.04 2.98 3.29 2odpA1 TYR 538 HD2 -0.65 -0.01 -0.09 -0.04 7.15 6.36 2odpA1 TYR 538 HE2 -0.35 0.04 -0.07 -0.04 6.85 6.42 2odpA1 GLY 539 H -1.63 0.10 -0.22 -0.55 8.43 6.14 2odpA1 GLY 539 HA2 -0.10 -0.03 0.42 -0.51 4.01 3.79 2odpA1 GLY 539 HA3 -0.20 0.08 0.25 -0.51 4.01 3.63 2odpA1 ASP 540 H -0.07 0.08 0.12 -0.55 8.40 7.98 2odpA1 ASP 540 HA -0.12 0.01 0.28 -0.75 4.63 4.05 2odpA1 ASP 540 HB2 0.06 0.19 -0.43 -0.04 2.71 2.48 2odpA1 ASP 540 HB3 -0.11 -0.07 0.14 -0.04 2.70 2.62 2odpA1 ASP 541 H 0.04 0.21 -0.21 -0.55 8.40 7.90 2odpA1 ASP 541 HA -0.32 0.05 0.49 -0.75 4.63 4.10 2odpA1 ASP 541 HB2 0.39 0.26 0.10 -0.04 2.71 3.41 2odpA1 ASP 541 HB3 0.20 -0.04 0.25 -0.04 2.70 3.07 2odpA1 ILE 542 H -0.29 0.58 0.37 -0.55 8.25 8.35 2odpA1 ILE 542 HA -0.14 0.32 0.97 -0.75 4.18 4.58 2odpA1 ILE 542 HB -0.23 -0.03 -0.38 -0.04 1.89 1.21 2odpA1 ILE 542 HG12 -0.04 0.01 -0.06 -0.04 1.49 1.36 2odpA1 ILE 542 HG13 -0.01 0.17 0.12 -0.04 1.21 1.45 2odpA1 ILE 542 HG23 -1.11 -0.00 -0.11 -0.04 0.93 -0.34 2odpA1 ILE 542 HD13 0.06 -0.02 -0.10 -0.04 0.88 0.79 2odpA1 ALA 543 H 0.04 0.63 0.26 -0.55 8.40 8.78 2odpA1 ALA 543 HA 0.23 0.23 0.86 -0.75 4.34 4.91 2odpA1 ALA 543 HB3 0.14 -0.00 -0.35 -0.04 1.41 1.16 2odpA1 LEU 544 H 0.36 0.75 0.35 -0.55 8.37 9.28 2odpA1 LEU 544 HA 0.30 0.35 1.10 -0.75 4.35 5.35 2odpA1 LEU 544 HB2 0.27 -0.04 0.10 -0.04 1.64 1.92 2odpA1 LEU 544 HB3 0.62 0.02 -0.06 -0.04 1.64 2.17 2odpA1 LEU 544 HG 0.44 -0.06 -0.29 -0.04 1.64 1.69 2odpA1 LEU 544 HD13 -0.42 -0.00 -0.11 -0.04 0.93 0.35 2odpA1 LEU 544 HD23 0.20 0.03 -0.10 -0.04 0.89 0.98 2odpA1 LEU 545 H 0.23 0.66 0.31 -0.55 8.37 9.02 2odpA1 LEU 545 HA 0.00 0.21 1.01 -0.75 4.35 4.82 2odpA1 LEU 545 HB2 0.09 -0.01 0.06 -0.04 1.64 1.74 2odpA1 LEU 545 HB3 0.02 0.04 -0.17 -0.04 1.64 1.48 2odpA1 LEU 545 HG 0.13 0.04 -0.14 -0.04 1.64 1.63 2odpA1 LEU 545 HD13 -0.16 -0.01 -0.29 -0.04 0.93 0.43 2odpA1 LEU 545 HD23 0.19 0.01 -0.26 -0.04 0.89 0.79 2odpA1 LYS 546 H -0.39 0.66 0.28 -0.55 8.42 8.41 2odpA1 LYS 546 HA -1.07 0.25 1.07 -0.75 4.32 3.82 2odpA1 LYS 546 HB2 -2.28 -0.05 0.04 -0.04 1.87 -0.46 2odpA1 LYS 546 HB3 -0.66 -0.11 0.17 -0.04 1.79 1.14 2odpA1 LYS 546 HG2 -0.53 0.24 -0.12 -0.04 1.46 1.01 2odpA1 LYS 546 HG3 -1.38 -0.02 0.00 -0.04 1.46 0.01 2odpA1 LYS 546 HD2 -0.29 -0.03 -0.05 -0.04 1.69 1.27 2odpA1 LYS 546 HD3 -0.29 -0.04 -0.06 -0.04 1.68 1.25 2odpA1 LYS 546 HE2 -0.14 0.09 -0.06 -0.04 2.99 2.85 2odpA1 LYS 546 HE3 0.03 -0.04 -0.05 -0.04 2.99 2.89 2odpA1 LEU 547 H -0.34 0.78 0.31 -0.55 8.37 8.57 2odpA1 LEU 547 HA -0.06 0.11 0.61 -0.75 4.35 4.26 2odpA1 LEU 547 HB2 -0.11 0.08 0.12 -0.04 1.64 1.69 2odpA1 LEU 547 HB3 0.07 -0.03 0.14 -0.04 1.64 1.78 2odpA1 LEU 547 HG -0.14 0.04 -0.15 -0.04 1.64 1.35 2odpA1 LEU 547 HD13 -0.42 -0.01 -0.14 -0.04 0.93 0.32 2odpA1 LEU 547 HD23 -0.00 -0.02 -0.24 -0.04 0.89 0.59 2odpA1 ALA 548 H 0.05 0.63 0.21 -0.55 8.40 8.74 2odpA1 ALA 548 HA -0.05 0.06 0.40 -0.75 4.34 4.00 2odpA1 ALA 548 HB3 -0.00 -0.02 -0.12 -0.04 1.41 1.23 2odpA1 GLN 549 H 0.18 0.16 -0.04 -0.55 8.47 8.21 2odpA1 GLN 549 HA 0.04 0.14 0.64 -0.75 4.36 4.43 2odpA1 GLN 549 HB2 0.12 -0.01 -0.00 -0.04 2.15 2.21 2odpA1 GLN 549 HB3 0.09 0.06 0.08 -0.04 2.02 2.20 2odpA1 GLN 549 HG2 0.00 -0.07 -0.28 -0.04 2.40 2.01 2odpA1 GLN 549 HG3 -0.02 -0.02 -0.02 -0.04 2.39 2.30 2odpA1 GLN 549 HE21 -0.00 -0.06 0.05 -0.04 6.97 6.91 2odpA1 GLN 549 HE22 -0.01 -0.03 -0.04 -0.04 7.69 7.58 2odpA1 LYS 550 H 0.07 0.05 0.09 -0.55 8.42 8.08 2odpA1 LYS 550 HA 0.03 0.19 0.65 -0.75 4.32 4.43 2odpA1 LYS 550 HB2 0.06 -0.06 0.04 -0.04 1.87 1.86 2odpA1 LYS 550 HB3 0.04 0.10 0.05 -0.04 1.79 1.94 2odpA1 LYS 550 HG2 0.03 0.00 -0.05 -0.04 1.46 1.41 2odpA1 LYS 550 HG3 0.04 -0.05 0.05 -0.04 1.46 1.46 2odpA1 LYS 550 HD2 0.04 -0.02 0.01 -0.04 1.69 1.68 2odpA1 LYS 550 HD3 0.04 0.03 -0.00 -0.04 1.68 1.71 2odpA1 LYS 550 HE2 0.04 -0.00 -0.01 -0.04 2.99 2.98 2odpA1 LYS 550 HE3 0.05 -0.01 -0.00 -0.04 2.99 2.98 2odpA1 VAL 551 H -0.04 0.77 0.37 -0.55 8.24 8.78 2odpA1 VAL 551 HA 0.15 0.04 0.64 -0.75 4.13 4.21 2odpA1 VAL 551 HB -0.09 -0.06 0.04 -0.04 2.12 1.97 2odpA1 VAL 551 HG13 -0.05 0.04 -0.19 -0.04 0.97 0.72 2odpA1 VAL 551 HG23 -0.66 0.01 -0.05 -0.04 0.95 0.21 2odpA1 LYS 552 H 0.14 0.11 0.12 -0.55 8.42 8.23 2odpA1 LYS 552 HA 0.05 0.06 0.77 -0.75 4.32 4.43 2odpA1 LYS 552 HB2 0.06 -0.04 0.11 -0.04 1.87 1.96 2odpA1 LYS 552 HB3 0.04 0.08 0.05 -0.04 1.79 1.91 2odpA1 LYS 552 HG2 0.08 -0.00 0.05 -0.04 1.46 1.55 2odpA1 LYS 552 HG3 0.04 -0.04 0.04 -0.04 1.46 1.46 2odpA1 LYS 552 HD2 0.04 0.02 0.04 -0.04 1.69 1.74 2odpA1 LYS 552 HD3 0.06 0.04 -0.20 -0.04 1.68 1.54 2odpA1 LYS 552 HE2 0.03 -0.03 -0.01 -0.04 2.99 2.94 2odpA1 LYS 552 HE3 0.05 0.01 -0.05 -0.04 2.99 2.96 2odpA1 MET 553 H 0.03 0.10 0.15 -0.55 8.47 8.20 2odpA1 MET 553 HA 0.02 0.26 0.55 -0.75 4.52 4.59 2odpA1 MET 553 HB2 0.02 0.06 -0.04 -0.04 2.15 2.14 2odpA1 MET 553 HB3 0.03 0.14 0.06 -0.04 2.03 2.21 2odpA1 MET 553 HG2 0.02 -0.06 0.01 -0.04 2.63 2.56 2odpA1 MET 553 HG3 0.02 -0.14 -0.40 -0.04 2.56 2.01 2odpA1 MET 553 HE3 0.00 0.02 -0.43 -0.04 2.10 1.66 2odpA1 SER 554 H 0.03 0.77 0.37 -0.55 8.46 9.09 2odpA1 SER 554 HA 0.02 0.20 0.51 -0.75 4.49 4.47 2odpA1 SER 554 HB2 0.04 -0.11 0.16 -0.04 3.95 3.99 2odpA1 SER 554 HB3 0.03 0.18 -0.22 -0.04 3.93 3.87 2odpA1 THR 555 H 0.05 0.15 0.11 -0.55 8.28 8.04 2odpA1 THR 555 HA -0.01 0.16 0.39 -0.75 4.39 4.18 2odpA1 THR 555 HB -0.03 -0.01 0.02 -0.04 4.32 4.26 2odpA1 THR 555 HG23 -0.01 0.02 -0.05 -0.04 1.22 1.14 2odpA1 HIS 556 H 0.15 -0.05 -0.58 -0.55 8.41 7.39 2odpA1 HIS 556 HA -0.10 0.28 0.61 -0.75 4.63 4.67 2odpA1 HIS 556 HB2 -0.03 -0.03 -0.34 -0.04 3.26 2.82 2odpA1 HIS 556 HB3 -0.06 -0.10 -0.28 -0.04 3.20 2.73 2odpA1 HIS 556 HD2 -0.08 -0.01 -0.18 -0.04 6.97 6.65 2odpA1 HIS 556 HE1 -0.06 0.01 -0.06 -0.04 7.75 7.59 2odpA1 ALA 557 H 0.04 0.16 -0.23 -0.55 8.40 7.82 2odpA1 ALA 557 HA -0.02 0.41 0.79 -0.75 4.34 4.76 2odpA1 ALA 557 HB3 0.01 0.05 -0.01 -0.04 1.41 1.41 2odpA1 ARG 558 H 0.01 0.43 -0.14 -0.55 8.46 8.21 2odpA1 ARG 558 HA 0.04 0.09 0.44 -0.75 4.34 4.15 2odpA1 ARG 558 HB2 0.10 -0.07 -0.14 -0.04 1.90 1.75 2odpA1 ARG 558 HB3 0.07 0.16 0.03 -0.04 1.80 2.02 2odpA1 ARG 558 HG2 0.03 0.05 -0.04 -0.04 1.67 1.68 2odpA1 ARG 558 HG3 0.02 -0.05 -0.41 -0.04 1.67 1.18 2odpA1 ARG 558 HD2 0.08 0.14 -0.07 -0.04 3.22 3.34 2odpA1 ARG 558 HD3 0.07 0.05 -0.08 -0.04 3.22 3.22 2odpA1 PRO 559 HA 0.09 0.15 0.27 -0.51 4.44 4.44 2odpA1 PRO 559 HB2 0.00 -0.00 -0.19 -0.04 2.28 2.05 2odpA1 PRO 559 HB3 0.02 -0.07 -0.45 -0.04 2.02 1.48 2odpA1 PRO 559 HG2 0.02 0.18 -0.09 -0.04 2.03 2.10 2odpA1 PRO 559 HG3 0.03 -0.13 -0.27 -0.04 2.03 1.62 2odpA1 PRO 559 HD2 0.04 0.31 -0.05 -0.04 3.68 3.93 2odpA1 PRO 559 HD3 0.03 0.08 0.01 -0.04 3.65 3.73 2odpA1 ILE 560 H 0.04 0.50 0.33 -0.55 8.25 8.57 2odpA1 ILE 560 HA -0.22 0.04 0.78 -0.75 4.18 4.02 2odpA1 ILE 560 HB -0.84 -0.00 0.10 -0.04 1.89 1.10 2odpA1 ILE 560 HG12 -0.53 0.05 -0.11 -0.04 1.49 0.86 2odpA1 ILE 560 HG13 -1.08 0.03 -0.07 -0.04 1.21 0.05 2odpA1 ILE 560 HG23 -0.22 0.03 -0.09 -0.04 0.93 0.62 2odpA1 ILE 560 HD13 -1.56 -0.02 -0.22 -0.04 0.88 -0.96 2odpA1 CYS 561 H -0.37 0.46 0.20 -0.55 8.50 8.24 2odpA1 CYS 561 HA -0.13 0.09 0.73 -0.75 4.58 4.52 2odpA1 CYS 561 HB2 -0.62 0.05 0.06 -0.04 2.97 2.42 2odpA1 CYS 561 HB3 -0.07 -0.11 -0.09 -0.04 2.97 2.66 2odpA1 LEU 562 H -0.06 0.14 0.17 -0.55 8.37 8.07 2odpA1 LEU 562 HA -0.03 0.24 0.93 -0.75 4.35 4.74 2odpA1 LEU 562 HB2 -0.09 -0.05 0.11 -0.04 1.64 1.58 2odpA1 LEU 562 HB3 -0.04 0.10 -0.08 -0.04 1.64 1.58 2odpA1 LEU 562 HG -0.01 0.02 0.01 -0.04 1.64 1.61 2odpA1 LEU 562 HD13 -0.05 0.04 -0.13 -0.04 0.93 0.75 2odpA1 LEU 562 HD23 -0.00 -0.00 -0.04 -0.04 0.89 0.80 2odpA1 PRO 563 HA 0.20 0.02 0.34 -0.51 4.44 4.49 2odpA1 PRO 563 HB2 0.09 -0.04 -0.09 -0.04 2.28 2.20 2odpA1 PRO 563 HB3 0.10 0.07 -0.02 -0.04 2.02 2.14 2odpA1 PRO 563 HG2 -0.43 -0.04 -0.05 -0.04 2.03 1.47 2odpA1 PRO 563 HG3 -0.60 0.06 0.04 -0.04 2.03 1.48 2odpA1 PRO 563 HD2 -0.08 0.09 0.27 -0.04 3.68 3.91 2odpA1 PRO 563 HD3 -0.00 0.24 0.16 -0.04 3.65 4.01 2odpA1 CYS 564 H 0.84 0.13 0.10 -0.55 8.50 9.03 2odpA1 CYS 564 HA -0.08 -0.01 0.24 -0.75 4.58 3.97 2odpA1 CYS 564 HB2 0.18 0.26 0.05 -0.04 2.97 3.42 2odpA1 CYS 564 HB3 0.13 -0.06 0.16 -0.04 2.97 3.17 2odpA1 THR 565 H 0.16 0.14 -0.19 -0.55 8.28 7.84 2odpA1 THR 565 HA -0.09 0.19 1.00 -0.75 4.39 4.74 2odpA1 THR 565 HB -0.17 -0.05 0.10 -0.04 4.32 4.16 2odpA1 THR 565 HG23 -0.47 0.05 -0.26 -0.04 1.22 0.51 2odpA1 MET 566 H -0.04 0.79 0.23 -0.55 8.47 8.91 2odpA1 MET 566 HA 0.05 0.08 0.44 -0.75 4.52 4.34 2odpA1 MET 566 HB2 0.01 0.07 0.05 -0.04 2.15 2.24 2odpA1 MET 566 HB3 -0.00 -0.00 0.09 -0.04 2.03 2.07 2odpA1 MET 566 HG2 0.02 0.02 -0.00 -0.04 2.63 2.62 2odpA1 MET 566 HG3 0.02 -0.00 -0.09 -0.04 2.56 2.45 2odpA1 MET 566 HE3 0.02 0.05 0.01 -0.04 2.10 2.14 2odpA1 GLU 567 H -0.02 0.11 -0.09 -0.55 8.60 8.06 2odpA1 GLU 567 HA 0.02 0.12 0.47 -0.75 4.29 4.15 2odpA1 GLU 567 HB2 -0.03 -0.05 0.10 -0.04 2.09 2.07 2odpA1 GLU 567 HB3 -0.01 0.09 0.01 -0.04 1.99 2.04 2odpA1 GLU 567 HG2 -0.03 0.10 0.06 -0.04 2.34 2.43 2odpA1 GLU 567 HG3 -0.01 0.05 0.05 -0.04 2.34 2.38 2odpA1 ALA 568 H 0.06 0.08 -0.19 -0.55 8.40 7.81 2odpA1 ALA 568 HA 0.23 0.15 0.47 -0.75 4.34 4.43 2odpA1 ALA 568 HB3 0.19 -0.00 -0.06 -0.04 1.41 1.49 2odpA1 ASN 569 H 0.21 0.45 -0.20 -0.55 8.53 8.45 2odpA1 ASN 569 HA 0.08 -0.03 0.33 -0.75 4.76 4.38 2odpA1 ASN 569 HB2 0.26 -0.00 0.04 -0.04 2.88 3.14 2odpA1 ASN 569 HB3 0.11 0.13 0.06 -0.04 2.79 3.06 2odpA1 ASN 569 HD21 0.07 0.31 -0.35 -0.04 7.03 7.03 2odpA1 ASN 569 HD22 0.07 -0.03 -0.16 -0.04 7.74 7.58 2odpA1 LEU 570 H 0.07 0.45 -0.24 -0.55 8.37 8.10 2odpA1 LEU 570 HA 0.04 0.02 0.52 -0.75 4.35 4.18 2odpA1 LEU 570 HB2 0.04 -0.02 0.12 -0.04 1.64 1.74 2odpA1 LEU 570 HB3 0.04 0.11 0.17 -0.04 1.64 1.92 2odpA1 LEU 570 HG 0.04 0.08 -0.14 -0.04 1.64 1.58 2odpA1 LEU 570 HD13 0.04 -0.02 0.05 -0.04 0.93 0.96 2odpA1 LEU 570 HD23 0.03 -0.01 0.01 -0.04 0.89 0.88 2odpA1 ALA 571 H 0.08 0.48 -0.04 -0.55 8.40 8.37 2odpA1 ALA 571 HA 0.07 0.08 0.41 -0.75 4.34 4.14 2odpA1 ALA 571 HB3 0.16 0.01 0.06 -0.04 1.41 1.59 2odpA1 LEU 572 H 0.05 0.44 -0.39 -0.55 8.37 7.92 2odpA1 LEU 572 HA -0.03 0.12 0.54 -0.75 4.35 4.22 2odpA1 LEU 572 HB2 -0.18 0.01 0.01 -0.04 1.64 1.44 2odpA1 LEU 572 HB3 -0.20 -0.09 -0.00 -0.04 1.64 1.31 2odpA1 LEU 572 HG -0.35 0.06 -0.14 -0.04 1.64 1.17 2odpA1 LEU 572 HD13 -0.67 -0.05 -0.17 -0.04 0.93 0.00 2odpA1 LEU 572 HD23 -0.71 -0.00 -0.13 -0.04 0.89 0.01 2odpA1 ARG 573 H 0.02 0.39 -0.45 -0.55 8.46 7.86 2odpA1 ARG 573 HA 0.01 0.02 0.33 -0.75 4.34 3.95 2odpA1 ARG 573 HB2 -0.02 0.12 -0.08 -0.04 1.90 1.88 2odpA1 ARG 573 HB3 -0.02 -0.16 0.18 -0.04 1.80 1.77 2odpA1 ARG 573 HG2 0.02 0.00 0.04 -0.04 1.67 1.69 2odpA1 ARG 573 HG3 0.02 0.20 -0.22 -0.04 1.67 1.63 2odpA1 ARG 573 HD2 -0.01 -0.02 -0.05 -0.04 3.22 3.09 2odpA1 ARG 573 HD3 -0.03 -0.16 0.00 -0.04 3.22 2.99 2odpA1 ARG 574 H 0.01 0.43 -0.04 -0.55 8.46 8.31 2odpA1 ARG 574 HA -0.00 0.14 0.65 -0.75 4.34 4.38 2odpA1 ARG 574 HB2 0.06 0.00 -0.01 -0.04 1.90 1.91 2odpA1 ARG 574 HB3 0.05 -0.07 0.01 -0.04 1.80 1.76 2odpA1 ARG 574 HG2 -0.06 0.23 -0.35 -0.04 1.67 1.45 2odpA1 ARG 574 HG3 -0.06 -0.08 -0.11 -0.04 1.67 1.37 2odpA1 ARG 574 HD2 -0.03 -0.04 -0.05 -0.04 3.22 3.06 2odpA1 ARG 574 HD3 0.01 -0.08 -0.00 -0.04 3.22 3.10 2odpA1 PRO 575 HA 0.01 0.06 0.42 -0.51 4.44 4.43 2odpA1 PRO 575 HB2 0.01 -0.06 -0.01 -0.04 2.28 2.18 2odpA1 PRO 575 HB3 0.01 -0.00 0.06 -0.04 2.02 2.05 2odpA1 PRO 575 HG2 0.00 0.02 0.05 -0.04 2.03 2.07 2odpA1 PRO 575 HG3 0.00 0.08 0.06 -0.04 2.03 2.13 2odpA1 PRO 575 HD2 0.02 0.04 0.14 -0.04 3.68 3.83 2odpA1 PRO 575 HD3 0.00 0.21 0.20 -0.04 3.65 4.03 2odpA1 GLN 576 H 0.02 0.12 0.14 -0.55 8.47 8.21 2odpA1 GLN 576 HA 0.03 0.15 0.40 -0.75 4.36 4.19 2odpA1 GLN 576 HB2 0.01 -0.07 0.13 -0.04 2.15 2.18 2odpA1 GLN 576 HB3 0.01 0.03 -0.02 -0.04 2.02 2.00 2odpA1 GLN 576 HG2 0.02 -0.01 0.10 -0.04 2.40 2.46 2odpA1 GLN 576 HG3 0.01 0.00 0.04 -0.04 2.39 2.41 2odpA1 GLN 576 HE21 0.03 0.03 -0.04 -0.04 6.97 6.95 2odpA1 GLN 576 HE22 0.02 0.02 -0.02 -0.04 7.69 7.67 2odpA1 GLY 577 H 0.01 0.03 -0.27 -0.55 8.43 7.66 2odpA1 GLY 577 HA2 -0.00 0.17 0.44 -0.51 4.01 4.11 2odpA1 GLY 577 HA3 -0.00 -0.04 0.27 -0.51 4.01 3.73 2odpA1 SER 578 H 0.01 0.40 -0.60 -0.55 8.46 7.72 2odpA1 SER 578 HA -0.01 -0.05 0.33 -0.75 4.49 4.00 2odpA1 SER 578 HB2 0.03 0.05 -0.06 -0.04 3.95 3.93 2odpA1 SER 578 HB3 0.02 -0.08 -0.02 -0.04 3.93 3.81 2odpA1 THR 579 H -0.04 0.01 0.18 -0.55 8.28 7.88 2odpA1 THR 579 HA -0.06 0.33 0.85 -0.75 4.39 4.75 2odpA1 THR 579 HB -0.03 -0.03 0.18 -0.04 4.32 4.40 2odpA1 THR 579 HG23 -0.02 0.06 -0.01 -0.04 1.22 1.21 2odpA1 CYS 580 H -0.03 0.27 0.16 -0.55 8.50 8.36 2odpA1 CYS 580 HA -0.00 0.06 0.51 -0.75 4.58 4.39 2odpA1 CYS 580 HB2 0.04 0.11 0.16 -0.04 2.97 3.25 2odpA1 CYS 580 HB3 0.06 -0.00 0.09 -0.04 2.97 3.08 2odpA1 ARG 581 H -0.00 0.12 -0.08 -0.55 8.46 7.94 2odpA1 ARG 581 HA -0.05 0.11 0.44 -0.75 4.34 4.09 2odpA1 ARG 581 HB2 -0.02 0.05 0.10 -0.04 1.90 1.98 2odpA1 ARG 581 HB3 -0.02 -0.05 0.06 -0.04 1.80 1.75 2odpA1 ARG 581 HG2 -0.03 0.03 -0.03 -0.04 1.67 1.60 2odpA1 ARG 581 HG3 -0.05 0.01 -0.19 -0.04 1.67 1.40 2odpA1 ARG 581 HD2 -0.05 0.01 0.03 -0.04 3.22 3.16 2odpA1 ARG 581 HD3 -0.05 0.04 -0.01 -0.04 3.22 3.15 2odpA1 ASP 582 H -0.02 0.01 -0.34 -0.55 8.40 7.50 2odpA1 ASP 582 HA -0.01 0.08 0.37 -0.75 4.63 4.31 2odpA1 ASP 582 HB2 0.01 0.14 0.13 -0.04 2.71 2.95 2odpA1 ASP 582 HB3 0.05 0.08 0.00 -0.04 2.70 2.79 2odpA1 HIS 583 H 0.10 0.36 -0.18 -0.55 8.41 8.15 2odpA1 HIS 583 HA -0.02 0.10 0.45 -0.75 4.63 4.41 2odpA1 HIS 583 HB2 0.19 0.08 0.16 -0.04 3.26 3.65 2odpA1 HIS 583 HB3 0.21 -0.00 -0.03 -0.04 3.20 3.34 2odpA1 HIS 583 HD2 -0.00 -0.04 -0.20 -0.04 6.97 6.68 2odpA1 HIS 583 HE1 0.04 0.10 -0.07 -0.04 7.75 7.78 2odpA1 GLU 584 H -0.05 0.50 -0.13 -0.55 8.60 8.38 2odpA1 GLU 584 HA -0.95 0.03 0.49 -0.75 4.29 3.11 2odpA1 GLU 584 HB2 -0.88 0.01 0.10 -0.04 2.09 1.27 2odpA1 GLU 584 HB3 -0.35 0.09 0.12 -0.04 1.99 1.81 2odpA1 GLU 584 HG2 -0.44 0.04 -0.16 -0.04 2.34 1.74 2odpA1 GLU 584 HG3 -1.22 -0.03 0.02 -0.04 2.34 1.07 2odpA1 ASN 585 H -0.13 0.54 -0.12 -0.55 8.53 8.28 2odpA1 ASN 585 HA -0.11 0.04 0.40 -0.75 4.76 4.34 2odpA1 ASN 585 HB2 -0.05 0.12 0.15 -0.04 2.88 3.06 2odpA1 ASN 585 HB3 -0.06 -0.03 -0.04 -0.04 2.79 2.62 2odpA1 ASN 585 HD21 -0.05 -0.07 -0.08 -0.04 7.03 6.79 2odpA1 ASN 585 HD22 -0.04 -0.02 -0.05 -0.04 7.74 7.58 2odpA1 GLU 586 H -0.05 0.45 -0.22 -0.55 8.60 8.23 2odpA1 GLU 586 HA -0.08 0.00 0.35 -0.75 4.29 3.82 2odpA1 GLU 586 HB2 -0.05 0.01 0.10 -0.04 2.09 2.10 2odpA1 GLU 586 HB3 -0.12 0.07 0.15 -0.04 1.99 2.06 2odpA1 GLU 586 HG2 -0.21 -0.01 -0.07 -0.04 2.34 2.02 2odpA1 GLU 586 HG3 -0.20 0.02 -0.26 -0.04 2.34 1.86 2odpA1 LEU 587 H -0.09 0.45 -0.18 -0.55 8.37 8.01 2odpA1 LEU 587 HA -0.11 0.13 0.58 -0.75 4.35 4.20 2odpA1 LEU 587 HB2 0.06 0.02 0.07 -0.04 1.64 1.76 2odpA1 LEU 587 HB3 0.02 -0.04 -0.04 -0.04 1.64 1.54 2odpA1 LEU 587 HG -0.21 0.01 -0.05 -0.04 1.64 1.35 2odpA1 LEU 587 HD13 -0.02 -0.03 -0.12 -0.04 0.93 0.72 2odpA1 LEU 587 HD23 -0.46 0.02 -0.13 -0.04 0.89 0.28 2odpA1 LEU 588 H -0.11 0.53 -0.16 -0.55 8.37 8.08 2odpA1 LEU 588 HA -0.03 0.17 0.80 -0.75 4.35 4.53 2odpA1 LEU 588 HB2 -0.16 0.11 0.12 -0.04 1.64 1.67 2odpA1 LEU 588 HB3 -0.04 -0.05 0.11 -0.04 1.64 1.62 2odpA1 LEU 588 HG 0.02 -0.04 -0.14 -0.04 1.64 1.43 2odpA1 LEU 588 HD13 0.02 -0.03 -0.03 -0.04 0.93 0.85 2odpA1 LEU 588 HD23 0.07 0.04 -0.17 -0.04 0.89 0.79 2odpA1 ASN 589 H -0.06 0.23 -0.26 -0.55 8.53 7.90 2odpA1 ASN 589 HA -0.06 0.03 0.29 -0.75 4.76 4.27 2odpA1 ASN 589 HB2 -0.04 -0.12 0.00 -0.04 2.88 2.68 2odpA1 ASN 589 HB3 -0.06 0.18 0.11 -0.04 2.79 2.98 2odpA1 ASN 589 HD21 -0.07 0.25 -0.04 -0.04 7.03 7.13 2odpA1 ASN 589 HD22 -0.07 0.66 0.01 -0.04 7.74 8.30 2odpA1 LYS 590 H -0.03 0.09 -0.17 -0.55 8.42 7.76 2odpA1 LYS 590 HA -0.02 0.09 0.47 -0.75 4.32 4.11 2odpA1 LYS 590 HB2 -0.02 0.09 -0.06 -0.04 1.87 1.84 2odpA1 LYS 590 HB3 -0.02 -0.10 0.07 -0.04 1.79 1.70 2odpA1 LYS 590 HG2 -0.03 -0.01 -0.04 -0.04 1.46 1.35 2odpA1 LYS 590 HG3 -0.03 0.02 0.00 -0.04 1.46 1.41 2odpA1 LYS 590 HD2 -0.02 -0.02 0.06 -0.04 1.69 1.67 2odpA1 LYS 590 HD3 -0.03 -0.02 0.03 -0.04 1.68 1.61 2odpA1 LYS 590 HE2 -0.03 0.10 0.10 -0.04 2.99 3.12 2odpA1 LYS 590 HE3 -0.03 -0.03 0.06 -0.04 2.99 2.95 2odpA1 GLN 591 H -0.00 0.11 0.15 -0.55 8.47 8.19 2odpA1 GLN 591 HA 0.02 0.11 0.53 -0.75 4.36 4.27 2odpA1 GLN 591 HB2 0.01 -0.00 0.14 -0.04 2.15 2.25 2odpA1 GLN 591 HB3 0.02 -0.04 0.12 -0.04 2.02 2.08 2odpA1 GLN 591 HG2 0.02 0.02 0.06 -0.04 2.40 2.47 2odpA1 GLN 591 HG3 0.01 0.06 0.03 -0.04 2.39 2.44 2odpA1 GLN 591 HE21 0.01 0.01 0.05 -0.04 6.97 7.00 2odpA1 GLN 591 HE22 0.01 0.03 0.05 -0.04 7.69 7.73 2odpA1 SER 592 H -0.00 0.11 -0.26 -0.55 8.46 7.76 2odpA1 SER 592 HA 0.02 0.35 0.66 -0.75 4.49 4.76 2odpA1 SER 592 HB2 0.00 -0.01 -0.13 -0.04 3.95 3.77 2odpA1 SER 592 HB3 -0.01 -0.06 0.05 -0.04 3.93 3.87 2odpA1 VAL 593 H 0.01 0.71 0.11 -0.55 8.24 8.52 2odpA1 VAL 593 HA -0.02 0.17 0.84 -0.75 4.13 4.37 2odpA1 VAL 593 HB 0.01 -0.09 0.11 -0.04 2.12 2.10 2odpA1 VAL 593 HG13 -0.01 0.05 -0.08 -0.04 0.97 0.89 2odpA1 VAL 593 HG23 -0.00 -0.02 -0.20 -0.04 0.95 0.69 2odpA1 PRO 594 HA -0.11 0.17 0.73 -0.51 4.44 4.73 2odpA1 PRO 594 HB2 -0.07 0.02 0.16 -0.04 2.28 2.35 2odpA1 PRO 594 HB3 -0.09 0.03 0.15 -0.04 2.02 2.07 2odpA1 PRO 594 HG2 -0.04 0.01 0.11 -0.04 2.03 2.07 2odpA1 PRO 594 HG3 -0.04 -0.00 0.05 -0.04 2.03 1.99 2odpA1 PRO 594 HD2 -0.04 0.11 0.27 -0.04 3.68 3.98 2odpA1 PRO 594 HD3 -0.03 0.28 0.21 -0.04 3.65 4.07 2odpA1 ALA 595 H -0.26 0.55 0.47 -0.55 8.40 8.62 2odpA1 ALA 595 HA -0.32 0.18 0.73 -0.75 4.34 4.18 2odpA1 ALA 595 HB3 -0.11 -0.02 -0.09 -0.04 1.41 1.15 2odpA1 HIS 596 H -0.38 0.39 0.35 -0.55 8.41 8.23 2odpA1 HIS 596 HA -0.25 0.23 1.06 -0.75 4.63 4.92 2odpA1 HIS 596 HB2 -1.74 -0.07 -0.10 -0.04 3.26 1.32 2odpA1 HIS 596 HB3 -0.45 0.09 0.03 -0.04 3.20 2.83 2odpA1 HIS 596 HD2 -0.19 -0.00 -0.19 -0.04 6.97 6.55 2odpA1 HIS 596 HE1 -0.01 -0.06 -0.12 -0.04 7.75 7.51 2odpA1 PHE 597 H -0.33 0.35 0.17 -0.55 8.34 7.97 2odpA1 PHE 597 HA 0.17 0.29 0.35 -0.75 4.62 4.67 2odpA1 PHE 597 HB2 0.08 0.08 0.05 -0.04 3.15 3.31 2odpA1 PHE 597 HB3 -0.06 -0.02 -0.03 -0.04 3.06 2.92 2odpA1 PHE 597 HD2 -0.01 0.10 -0.39 -0.04 7.28 6.94 2odpA1 PHE 597 HE2 0.01 0.04 -0.40 -0.04 7.38 6.98 2odpA1 PHE 597 HZ 0.01 0.02 -0.62 -0.04 7.32 6.70 2odpA1 VAL 598 H 0.37 0.23 0.09 -0.55 8.24 8.38 2odpA1 VAL 598 HA -0.09 0.23 0.81 -0.75 4.13 4.32 2odpA1 VAL 598 HB -0.32 -0.03 0.08 -0.04 2.12 1.80 2odpA1 VAL 598 HG13 -0.60 0.06 -0.26 -0.04 0.97 0.13 2odpA1 VAL 598 HG23 -0.07 -0.00 -0.17 -0.04 0.95 0.67 2odpA1 ALA 599 H -0.09 0.76 0.15 -0.55 8.40 8.66 2odpA1 ALA 599 HA 0.18 0.08 0.44 -0.75 4.34 4.28 2odpA1 ALA 599 HB3 -0.01 -0.04 0.02 -0.04 1.41 1.34 2odpA1 LEU 600 H 0.09 0.11 0.08 -0.55 8.37 8.10 2odpA1 LEU 600 HA 0.09 0.18 0.27 -0.75 4.35 4.14 2odpA1 LEU 600 HB2 0.05 -0.03 0.05 -0.04 1.64 1.67 2odpA1 LEU 600 HB3 0.05 0.09 -0.04 -0.04 1.64 1.70 2odpA1 LEU 600 HG 0.07 -0.11 0.01 -0.04 1.64 1.57 2odpA1 LEU 600 HD13 0.04 0.00 0.01 -0.04 0.93 0.94 2odpA1 LEU 600 HD23 0.05 0.00 -0.15 -0.04 0.89 0.76 2odpA1 ASN 601 H 0.02 -0.02 -0.31 -0.55 8.53 7.68 2odpA1 ASN 601 HA 0.01 0.23 0.59 -0.75 4.76 4.84 2odpA1 ASN 601 HB2 -0.01 0.04 0.13 -0.04 2.88 3.00 2odpA1 ASN 601 HB3 0.01 0.07 0.04 -0.04 2.79 2.86 2odpA1 ASN 601 HD21 -0.01 0.01 -0.03 -0.04 7.03 6.95 2odpA1 ASN 601 HD22 -0.00 0.07 0.02 -0.04 7.74 7.78 2odpA1 GLY 602 H -0.02 0.52 -0.55 -0.55 8.43 7.83 2odpA1 GLY 602 HA2 -0.14 0.12 0.17 -0.51 4.01 3.65 2odpA1 GLY 602 HA3 -0.09 0.10 0.55 -0.51 4.01 4.05 2odpA1 SER 603 H -0.07 -0.04 -0.30 -0.55 8.46 7.50 2odpA1 SER 603 HA -0.10 0.11 0.38 -0.75 4.49 4.13 2odpA1 SER 603 HB2 -0.06 -0.11 -0.01 -0.04 3.95 3.73 2odpA1 SER 603 HB3 -0.08 0.10 -0.16 -0.04 3.93 3.75 2odpA1 LYS 604 H -0.10 0.14 0.14 -0.55 8.42 8.05 2odpA1 LYS 604 HA -0.09 0.15 0.75 -0.75 4.32 4.37 2odpA1 LYS 604 HB2 -0.06 0.07 0.03 -0.04 1.87 1.86 2odpA1 LYS 604 HB3 -0.09 -0.05 0.12 -0.04 1.79 1.73 2odpA1 LYS 604 HG2 -0.20 -0.02 -0.27 -0.04 1.46 0.93 2odpA1 LYS 604 HG3 -0.03 0.03 -0.08 -0.04 1.46 1.33 2odpA1 LYS 604 HD2 -0.81 -0.03 -0.15 -0.04 1.69 0.66 2odpA1 LYS 604 HD3 0.12 0.05 -0.13 -0.04 1.68 1.68 2odpA1 LYS 604 HE2 -0.08 -0.01 -0.05 -0.04 2.99 2.81 2odpA1 LYS 604 HE3 -0.16 -0.07 -0.09 -0.04 2.99 2.63 2odpA1 LEU 605 H -0.34 0.74 0.37 -0.55 8.37 8.60 2odpA1 LEU 605 HA -0.16 0.19 0.95 -0.75 4.35 4.58 2odpA1 LEU 605 HB2 -1.19 -0.01 -0.08 -0.04 1.64 0.32 2odpA1 LEU 605 HB3 -0.32 -0.05 0.06 -0.04 1.64 1.28 2odpA1 LEU 605 HG -0.34 0.08 -0.18 -0.04 1.64 1.16 2odpA1 LEU 605 HD13 -0.14 -0.02 -0.14 -0.04 0.93 0.59 2odpA1 LEU 605 HD23 -0.11 0.03 -0.28 -0.04 0.89 0.49 2odpA1 ASN 606 H -0.10 0.13 0.18 -0.55 8.53 8.20 2odpA1 ASN 606 HA -0.11 0.36 1.04 -0.75 4.76 5.30 2odpA1 ASN 606 HB2 -0.03 -0.05 0.10 -0.04 2.88 2.86 2odpA1 ASN 606 HB3 -0.06 0.03 0.02 -0.04 2.79 2.74 2odpA1 ASN 606 HD21 0.06 0.01 -0.05 -0.04 7.03 7.01 2odpA1 ASN 606 HD22 0.01 -0.03 -0.02 -0.04 7.74 7.66 2odpA1 ILE 607 H -0.17 0.70 0.30 -0.55 8.25 8.54 2odpA1 ILE 607 HA 0.00 0.11 0.81 -0.75 4.18 4.35 2odpA1 ILE 607 HB 0.05 -0.09 -0.03 -0.04 1.89 1.78 2odpA1 ILE 607 HG12 -0.07 0.02 -0.52 -0.04 1.49 0.87 2odpA1 ILE 607 HG13 -0.05 -0.02 -0.47 -0.04 1.21 0.62 2odpA1 ILE 607 HG23 0.25 0.06 -0.35 -0.04 0.93 0.84 2odpA1 ILE 607 HD13 -0.03 0.01 -0.30 -0.04 0.88 0.51 2odpA1 ASN 608 H -0.02 0.13 0.11 -0.55 8.53 8.21 2odpA1 ASN 608 HA -0.04 0.28 0.74 -0.75 4.76 4.99 2odpA1 ASN 608 HB2 -0.02 -0.06 0.05 -0.04 2.88 2.80 2odpA1 ASN 608 HB3 -0.02 0.01 -0.17 -0.04 2.79 2.57 2odpA1 ASN 608 HD21 -0.04 -0.00 -0.09 -0.04 7.03 6.85 2odpA1 ASN 608 HD22 -0.05 0.02 -0.26 -0.04 7.74 7.42 2odpA1 LEU 609 H -0.01 0.73 0.13 -0.55 8.37 8.68 2odpA1 LEU 609 HA 0.06 0.27 0.73 -0.75 4.35 4.66 2odpA1 LEU 609 HB2 0.05 -0.01 0.07 -0.04 1.64 1.71 2odpA1 LEU 609 HB3 0.12 -0.02 -0.03 -0.04 1.64 1.66 2odpA1 LEU 609 HG 0.01 0.03 -0.08 -0.04 1.64 1.55 2odpA1 LEU 609 HD13 0.06 0.00 -0.13 -0.04 0.93 0.82 2odpA1 LEU 609 HD23 0.12 -0.02 -0.22 -0.04 0.89 0.73 2odpA1 LYS 610 H 0.09 0.57 0.34 -0.55 8.42 8.87 2odpA1 LYS 610 HA 0.06 0.28 0.80 -0.75 4.32 4.71 2odpA1 LYS 610 HB2 0.03 -0.01 0.04 -0.04 1.87 1.89 2odpA1 LYS 610 HB3 0.06 -0.07 -0.32 -0.04 1.79 1.41 2odpA1 LYS 610 HG2 -0.01 0.14 -0.02 -0.04 1.46 1.53 2odpA1 LYS 610 HG3 -0.02 -0.05 -0.05 -0.04 1.46 1.30 2odpA1 LYS 610 HD2 0.01 -0.01 -0.05 -0.04 1.69 1.61 2odpA1 LYS 610 HD3 0.01 0.04 -0.33 -0.04 1.68 1.36 2odpA1 LYS 610 HE2 -0.02 0.04 -0.10 -0.04 2.99 2.87 2odpA1 LYS 610 HE3 -0.02 -0.04 -0.07 -0.04 2.99 2.82 2odpA1 MET 611 H 0.09 0.70 0.31 -0.55 8.47 9.03 2odpA1 MET 611 HA 0.18 0.15 0.77 -0.75 4.52 4.87 2odpA1 MET 611 HB2 0.03 0.02 -0.01 -0.04 2.15 2.16 2odpA1 MET 611 HB3 0.01 -0.05 0.05 -0.04 2.03 2.00 2odpA1 MET 611 HG2 0.05 0.02 -0.25 -0.04 2.63 2.41 2odpA1 MET 611 HG3 0.01 0.25 -0.11 -0.04 2.56 2.67 2odpA1 MET 611 HE3 0.07 0.00 -0.22 -0.04 2.10 1.91 2odpA1 GLY 612 H 0.02 0.21 0.16 -0.55 8.43 8.28 2odpA1 GLY 612 HA2 0.01 0.10 0.36 -0.51 4.01 3.97 2odpA1 GLY 612 HA3 0.03 0.05 0.41 -0.51 4.01 3.99 2odpA1 VAL 613 H 0.05 0.18 0.25 -0.55 8.24 8.17 2odpA1 VAL 613 HA 0.10 0.07 0.48 -0.75 4.13 4.03 2odpA1 VAL 613 HB 0.04 0.02 0.16 -0.04 2.12 2.30 2odpA1 VAL 613 HG13 0.04 0.01 -0.04 -0.04 0.97 0.94 2odpA1 VAL 613 HG23 0.03 0.01 0.08 -0.04 0.95 1.03 2odpA1 GLU 614 H 0.08 0.32 -0.06 -0.55 8.60 8.40 2odpA1 GLU 614 HA 0.05 0.04 0.47 -0.75 4.29 4.09 2odpA1 GLU 614 HB2 0.07 0.23 0.11 -0.04 2.09 2.46 2odpA1 GLU 614 HB3 0.04 -0.02 0.04 -0.04 1.99 2.01 2odpA1 GLU 614 HG2 0.03 -0.04 -0.00 -0.04 2.34 2.28 2odpA1 GLU 614 HG3 0.03 -0.02 0.08 -0.04 2.34 2.39 2odpA1 TRP 615 H 0.28 0.20 -0.87 -0.55 7.97 7.04 2odpA1 TRP 615 HA 0.03 0.11 0.39 -0.75 4.62 4.40 2odpA1 TRP 615 HB2 0.03 -0.08 0.01 -0.04 3.23 3.15 2odpA1 TRP 615 HB3 0.03 0.10 -0.00 -0.04 3.23 3.32 2odpA1 TRP 615 HD1 0.06 0.15 0.21 -0.04 7.22 7.59 2odpA1 TRP 615 HE1 0.14 0.37 0.10 -0.04 10.20 10.77 2odpA1 TRP 615 HE3 0.04 -0.02 -0.30 -0.04 7.59 7.26 2odpA1 TRP 615 HZ2 0.16 0.18 -0.11 -0.04 7.44 7.62 2odpA1 TRP 615 HZ3 0.04 -0.06 -0.10 -0.04 7.13 6.96 2odpA1 TRP 615 HH2 0.07 0.14 -0.22 -0.04 7.19 7.14 2odpA1 THR 616 H 0.33 0.31 -0.25 -0.55 8.28 8.12 2odpA1 THR 616 HA 0.13 0.05 0.41 -0.75 4.39 4.22 2odpA1 THR 616 HB 0.12 0.14 0.15 -0.04 4.32 4.68 2odpA1 THR 616 HG23 0.10 -0.01 -0.05 -0.04 1.22 1.21 2odpA1 SER 617 H 0.04 0.36 -0.14 -0.55 8.46 8.18 2odpA1 SER 617 HA -0.02 0.03 0.42 -0.75 4.49 4.18 2odpA1 SER 617 HB2 -0.01 -0.00 0.01 -0.04 3.95 3.91 2odpA1 SER 617 HB3 0.01 -0.02 0.08 -0.04 3.93 3.96 2odpA1 CYS 618 H -0.07 0.53 -0.24 -0.55 8.50 8.17 2odpA1 CYS 618 HA -0.10 -0.01 0.37 -0.75 4.58 4.08 2odpA1 CYS 618 HB2 -0.09 0.05 0.11 -0.04 2.97 3.00 2odpA1 CYS 618 HB3 -0.25 0.10 0.16 -0.04 2.97 2.94 2odpA1 ALA 619 H -0.37 0.58 -0.20 -0.55 8.40 7.86 2odpA1 ALA 619 HA -0.03 0.05 0.38 -0.75 4.34 3.99 2odpA1 ALA 619 HB3 -0.77 -0.00 0.04 -0.04 1.41 0.64 2odpA1 GLU 620 H -0.12 0.44 -0.24 -0.55 8.60 8.14 2odpA1 GLU 620 HA -0.05 -0.07 0.26 -0.75 4.29 3.67 2odpA1 GLU 620 HB2 -0.03 0.11 0.14 -0.04 2.09 2.26 2odpA1 GLU 620 HB3 -0.03 0.11 0.10 -0.04 1.99 2.13 2odpA1 GLU 620 HG2 -0.00 -0.07 0.08 -0.04 2.34 2.30 2odpA1 GLU 620 HG3 -0.00 -0.03 -0.00 -0.04 2.34 2.27 2odpA1 VAL 621 H -0.02 0.33 -0.41 -0.55 8.24 7.58 2odpA1 VAL 621 HA 0.01 0.02 0.31 -0.75 4.13 3.71 2odpA1 VAL 621 HB 0.01 -0.04 0.12 -0.04 2.12 2.17 2odpA1 VAL 621 HG13 -0.02 0.02 0.02 -0.04 0.97 0.95 2odpA1 VAL 621 HG23 0.01 0.07 -0.15 -0.04 0.95 0.84 2odpA1 VAL 622 H 0.04 0.53 -0.30 -0.55 8.24 7.96 2odpA1 VAL 622 HA 0.22 0.07 0.53 -0.75 4.13 4.20 2odpA1 VAL 622 HB 0.11 -0.02 0.04 -0.04 2.12 2.21 2odpA1 VAL 622 HG13 0.05 0.02 0.01 -0.04 0.97 1.01 2odpA1 VAL 622 HG23 -0.09 0.06 -0.05 -0.04 0.95 0.83 2odpA1 SER 623 H 0.04 0.54 -0.17 -0.55 8.46 8.32 2odpA1 SER 623 HA 0.08 0.11 0.45 -0.75 4.49 4.37 2odpA1 SER 623 HB2 0.03 -0.00 0.09 -0.04 3.95 4.03 2odpA1 SER 623 HB3 0.02 -0.07 0.10 -0.04 3.93 3.94 2odpA1 GLN 624 H 0.08 0.47 -0.44 -0.55 8.47 8.03 2odpA1 GLN 624 HA 0.04 0.10 0.71 -0.75 4.36 4.46 2odpA1 GLN 624 HB2 0.05 0.14 0.08 -0.04 2.15 2.39 2odpA1 GLN 624 HB3 0.03 -0.06 0.09 -0.04 2.02 2.04 2odpA1 GLN 624 HG2 0.02 -0.03 0.01 -0.04 2.40 2.36 2odpA1 GLN 624 HG3 0.03 -0.03 0.01 -0.04 2.39 2.35 2odpA1 GLN 624 HE21 -0.00 -0.01 0.03 -0.04 6.97 6.94 2odpA1 GLN 624 HE22 0.01 -0.03 0.01 -0.04 7.69 7.63 2odpA1 GLU 625 H 0.16 0.49 -0.25 -0.55 8.60 8.45 2odpA1 GLU 625 HA 0.03 0.10 0.71 -0.75 4.29 4.38 2odpA1 GLU 625 HB2 0.15 0.05 0.15 -0.04 2.09 2.40 2odpA1 GLU 625 HB3 0.34 0.16 0.29 -0.04 1.99 2.73 2odpA1 GLU 625 HG2 -0.10 0.07 0.08 -0.04 2.34 2.35 2odpA1 GLU 625 HG3 -0.60 -0.19 0.08 -0.04 2.34 1.59 2odpA1 LYS 626 H 0.02 0.43 0.01 -0.55 8.42 8.32 2odpA1 LYS 626 HA 0.05 0.28 0.23 -0.75 4.32 4.12 2odpA1 LYS 626 HB2 0.01 -0.01 0.04 -0.04 1.87 1.87 2odpA1 LYS 626 HB3 0.02 -0.01 0.03 -0.04 1.79 1.79 2odpA1 LYS 626 HG2 0.04 0.05 -0.17 -0.04 1.46 1.34 2odpA1 LYS 626 HG3 0.02 -0.06 0.00 -0.04 1.46 1.38 2odpA1 LYS 626 HD2 0.03 -0.03 0.03 -0.04 1.69 1.68 2odpA1 LYS 626 HD3 0.06 0.10 -0.12 -0.04 1.68 1.68 2odpA1 LYS 626 HE2 0.05 0.27 0.08 -0.04 2.99 3.34 2odpA1 LYS 626 HE3 0.03 -0.13 0.03 -0.04 2.99 2.88 2odpA1 THR 627 H -0.06 0.05 -0.17 -0.55 8.28 7.56 2odpA1 THR 627 HA -0.04 0.17 0.62 -0.75 4.39 4.39 2odpA1 THR 627 HB -0.06 -0.00 0.11 -0.04 4.32 4.33 2odpA1 THR 627 HG23 -0.05 0.00 -0.08 -0.04 1.22 1.06 2odpA1 MET 628 H -0.28 0.06 -0.10 -0.55 8.47 7.59 2odpA1 MET 628 HA -0.21 0.15 0.71 -0.75 4.52 4.42 2odpA1 MET 628 HB2 -0.39 -0.00 0.06 -0.04 2.15 1.78 2odpA1 MET 628 HB3 -1.45 0.07 -0.01 -0.04 2.03 0.60 2odpA1 MET 628 HG2 -0.32 0.04 -0.00 -0.04 2.63 2.30 2odpA1 MET 628 HG3 -0.27 -0.17 0.09 -0.04 2.56 2.17 2odpA1 MET 628 HE3 0.02 -0.02 -0.18 -0.04 2.10 1.88 2odpA1 PHE 629 H -0.26 0.27 -0.30 -0.55 8.34 7.49 2odpA1 PHE 629 HA -0.01 0.16 0.85 -0.75 4.62 4.86 2odpA1 PHE 629 HB2 0.02 0.18 0.18 -0.04 3.15 3.48 2odpA1 PHE 629 HB3 -0.00 -0.08 0.07 -0.04 3.06 3.00 2odpA1 PHE 629 HD2 0.01 0.13 0.01 -0.04 7.28 7.38 2odpA1 PHE 629 HE2 0.02 0.07 0.01 -0.04 7.38 7.44 2odpA1 PHE 629 HZ -0.15 -0.01 -0.06 -0.04 7.32 7.06 2odpA1 PRO 630 HA 0.03 0.11 0.47 -0.51 4.44 4.54 2odpA1 PRO 630 HB2 0.01 -0.06 -0.04 -0.04 2.28 2.15 2odpA1 PRO 630 HB3 0.00 0.04 0.14 -0.04 2.02 2.16 2odpA1 PRO 630 HG2 0.02 -0.06 0.05 -0.04 2.03 1.99 2odpA1 PRO 630 HG3 -0.00 -0.00 0.01 -0.04 2.03 1.99 2odpA1 PRO 630 HD2 0.05 0.15 -0.37 -0.04 3.68 3.46 2odpA1 PRO 630 HD3 -0.02 0.21 -0.55 -0.04 3.65 3.25 2odpA1 ASN 631 H 0.06 0.63 -0.24 -0.55 8.53 8.44 2odpA1 ASN 631 HA 0.02 0.14 0.88 -0.75 4.76 5.05 2odpA1 ASN 631 HB2 0.01 -0.09 -0.10 -0.04 2.88 2.66 2odpA1 ASN 631 HB3 0.01 0.18 0.27 -0.04 2.79 3.22 2odpA1 ASN 631 HD21 -0.01 -0.17 0.04 -0.04 7.03 6.84 2odpA1 ASN 631 HD22 -0.01 0.71 0.13 -0.04 7.74 8.53 2odpA1 LEU 632 H 0.05 0.34 -0.21 -0.55 8.37 8.01 2odpA1 LEU 632 HA -0.00 0.09 0.76 -0.75 4.35 4.45 2odpA1 LEU 632 HB2 0.09 0.10 -0.05 -0.04 1.64 1.74 2odpA1 LEU 632 HB3 0.06 0.07 0.08 -0.04 1.64 1.81 2odpA1 LEU 632 HG -0.02 -0.15 -0.48 -0.04 1.64 0.95 2odpA1 LEU 632 HD13 -0.14 -0.02 -0.09 -0.04 0.93 0.64 2odpA1 LEU 632 HD23 -0.02 -0.00 -0.18 -0.04 0.89 0.65 2odpA1 THR 633 H -0.01 0.19 0.10 -0.55 8.28 8.01 2odpA1 THR 633 HA 0.00 0.18 0.61 -0.75 4.39 4.44 2odpA1 THR 633 HB -0.00 -0.03 0.02 -0.04 4.32 4.26 2odpA1 THR 633 HG23 -0.00 0.03 -0.07 -0.04 1.22 1.13 2odpA1 ASP 634 H -0.01 0.20 0.00 -0.55 8.40 8.04 2odpA1 ASP 634 HA 0.01 0.18 0.69 -0.75 4.63 4.75 2odpA1 ASP 634 HB2 0.01 0.13 -0.15 -0.04 2.71 2.65 2odpA1 ASP 634 HB3 0.00 -0.03 0.01 -0.04 2.70 2.64 2odpA1 VAL 635 H 0.00 0.24 0.07 -0.55 8.24 8.00 2odpA1 VAL 635 HA -0.06 0.12 0.37 -0.75 4.13 3.81 2odpA1 VAL 635 HB 0.01 -0.04 0.10 -0.04 2.12 2.14 2odpA1 VAL 635 HG13 -0.09 0.03 -0.21 -0.04 0.97 0.66 2odpA1 VAL 635 HG23 -0.03 0.01 0.04 -0.04 0.95 0.93 2odpA1 ARG 636 H 0.04 0.05 -0.41 -0.55 8.46 7.59 2odpA1 ARG 636 HA 0.13 0.37 0.16 -0.75 4.34 4.24 2odpA1 ARG 636 HB2 0.08 -0.02 -0.03 -0.04 1.90 1.89 2odpA1 ARG 636 HB3 0.12 -0.03 0.04 -0.04 1.80 1.90 2odpA1 ARG 636 HG2 0.16 -0.08 -0.05 -0.04 1.67 1.65 2odpA1 ARG 636 HG3 0.14 -0.01 -0.01 -0.04 1.67 1.75 2odpA1 ARG 636 HD2 0.30 -0.08 0.08 -0.04 3.22 3.47 2odpA1 ARG 636 HD3 0.46 0.18 -0.04 -0.04 3.22 3.78 2odpA1 GLU 637 H -0.01 0.50 -0.44 -0.55 8.60 8.10 2odpA1 GLU 637 HA -0.02 0.07 0.57 -0.75 4.29 4.15 2odpA1 GLU 637 HB2 -0.07 0.13 0.07 -0.04 2.09 2.18 2odpA1 GLU 637 HB3 -0.11 0.04 0.02 -0.04 1.99 1.91 2odpA1 GLU 637 HG2 -0.02 -0.10 0.02 -0.04 2.34 2.20 2odpA1 GLU 637 HG3 -0.05 -0.02 0.06 -0.04 2.34 2.29 2odpA1 VAL 638 H -0.05 0.29 -0.25 -0.55 8.24 7.69 2odpA1 VAL 638 HA 0.15 0.17 0.93 -0.75 4.13 4.62 2odpA1 VAL 638 HB -0.58 -0.02 -0.02 -0.04 2.12 1.45 2odpA1 VAL 638 HG13 -0.66 0.01 -0.12 -0.04 0.97 0.16 2odpA1 VAL 638 HG23 -0.45 0.01 0.01 -0.04 0.95 0.48 2odpA1 VAL 639 H -0.09 0.55 0.15 -0.55 8.24 8.31 2odpA1 VAL 639 HA -0.12 0.14 0.90 -0.75 4.13 4.29 2odpA1 VAL 639 HB -0.22 -0.05 0.11 -0.04 2.12 1.93 2odpA1 VAL 639 HG13 -0.26 0.01 -0.10 -0.04 0.97 0.58 2odpA1 VAL 639 HG23 -0.81 0.01 -0.03 -0.04 0.95 0.08 2odpA1 THR 640 H 0.49 0.19 -0.19 -0.55 8.28 8.22 2odpA1 THR 640 HA 0.29 0.19 0.54 -0.75 4.39 4.66 2odpA1 THR 640 HB 0.22 -0.05 0.13 -0.04 4.32 4.58 2odpA1 THR 640 HG23 0.41 0.11 -0.13 -0.04 1.22 1.57 2odpA1 ASP 641 H 0.14 0.16 0.14 -0.55 8.40 8.29 2odpA1 ASP 641 HA -0.08 0.19 0.43 -0.75 4.63 4.42 2odpA1 ASP 641 HB2 -0.13 0.02 0.13 -0.04 2.71 2.70 2odpA1 ASP 641 HB3 -0.09 0.01 0.12 -0.04 2.70 2.70 2odpA1 GLN 642 H 0.11 -0.01 -0.51 -0.55 8.47 7.52 2odpA1 GLN 642 HA -0.06 0.12 0.60 -0.75 4.36 4.27 2odpA1 GLN 642 HB2 -0.34 0.00 -0.03 -0.04 2.15 1.73 2odpA1 GLN 642 HB3 -0.39 -0.04 0.08 -0.04 2.02 1.63 2odpA1 GLN 642 HG2 -0.05 0.10 0.02 -0.04 2.40 2.43 2odpA1 GLN 642 HG3 -0.00 -0.02 0.01 -0.04 2.39 2.33 2odpA1 GLN 642 HE21 -0.05 -0.03 0.04 -0.04 6.97 6.89 2odpA1 GLN 642 HE22 -0.02 0.12 0.02 -0.04 7.69 7.76 2odpA1 PHE 643 H 0.38 0.40 -0.38 -0.55 8.34 8.19 2odpA1 PHE 643 HA 0.21 0.25 1.07 -0.75 4.62 5.39 2odpA1 PHE 643 HB2 0.34 0.06 -0.03 -0.04 3.15 3.48 2odpA1 PHE 643 HB3 0.24 0.11 -0.07 -0.04 3.06 3.29 2odpA1 PHE 643 HD2 0.20 0.02 -0.33 -0.04 7.28 7.13 2odpA1 PHE 643 HE2 0.24 -0.02 -0.12 -0.04 7.38 7.44 2odpA1 PHE 643 HZ 0.13 -0.02 -0.47 -0.04 7.32 6.92 2odpA1 LEU 644 H 0.33 0.60 0.26 -0.55 8.37 9.01 2odpA1 LEU 644 HA 0.47 0.12 0.72 -0.75 4.35 4.91 2odpA1 LEU 644 HB2 0.34 -0.04 0.00 -0.04 1.64 1.90 2odpA1 LEU 644 HB3 0.28 -0.00 0.01 -0.04 1.64 1.89 2odpA1 LEU 644 HG 0.22 -0.04 -0.04 -0.04 1.64 1.74 2odpA1 LEU 644 HD13 0.18 0.02 -0.19 -0.04 0.93 0.89 2odpA1 LEU 644 HD23 0.19 0.01 -0.04 -0.04 0.89 1.01 2odpA1 CYS 645 H 0.28 0.20 0.21 -0.55 8.50 8.65 2odpA1 CYS 645 HA -0.28 0.37 1.03 -0.75 4.58 4.94 2odpA1 CYS 645 HB2 -0.34 0.03 -0.10 -0.04 2.97 2.52 2odpA1 CYS 645 HB3 -0.23 -0.03 0.14 -0.04 2.97 2.82 2odpA1 SER 646 H -0.43 0.68 0.35 -0.55 8.46 8.52 2odpA1 SER 646 HA -0.08 0.17 0.51 -0.75 4.49 4.34 2odpA1 SER 646 HB2 0.01 -0.18 0.09 -0.04 3.95 3.83 2odpA1 SER 646 HB3 0.08 0.03 -0.24 -0.04 3.93 3.76 2odpA1 GLY 647 H -0.06 0.10 0.16 -0.55 8.43 8.09 2odpA1 GLY 647 HA2 -0.06 0.13 0.13 -0.51 4.01 3.70 2odpA1 GLY 647 HA3 -0.17 0.09 0.70 -0.51 4.01 4.12 2odpA1 THR 648 H -0.08 -0.06 -0.06 -0.55 8.28 7.52 2odpA1 THR 648 HA -0.07 0.22 0.48 -0.75 4.39 4.27 2odpA1 THR 648 HB -0.05 -0.03 0.07 -0.04 4.32 4.26 2odpA1 THR 648 HG23 -0.08 0.02 -0.04 -0.04 1.22 1.08 2odpA1 GLN 649 H -0.04 0.12 0.13 -0.55 8.47 8.13 2odpA1 GLN 649 HA -0.03 0.05 0.35 -0.75 4.36 3.97 2odpA1 GLN 649 HB2 -0.02 -0.05 0.05 -0.04 2.15 2.09 2odpA1 GLN 649 HB3 -0.02 0.04 0.13 -0.04 2.02 2.13 2odpA1 GLN 649 HG2 -0.03 0.04 0.04 -0.04 2.40 2.42 2odpA1 GLN 649 HG3 -0.03 -0.05 -0.13 -0.04 2.39 2.14 2odpA1 GLN 649 HE21 -0.02 -0.00 -0.01 -0.04 6.97 6.90 2odpA1 GLN 649 HE22 -0.02 0.02 0.01 -0.04 7.69 7.66 2odpA1 GLU 650 H -0.02 0.04 0.15 -0.55 8.60 8.22 2odpA1 GLU 650 HA -0.02 0.20 0.50 -0.75 4.29 4.22 2odpA1 GLU 650 HB2 -0.01 -0.04 0.05 -0.04 2.09 2.05 2odpA1 GLU 650 HB3 -0.01 0.02 0.14 -0.04 1.99 2.10 2odpA1 GLU 650 HG2 -0.02 -0.06 0.01 -0.04 2.34 2.23 2odpA1 GLU 650 HG3 -0.01 -0.01 0.01 -0.04 2.34 2.29 2odpA1 ASP 651 H -0.02 0.43 -0.30 -0.55 8.40 7.97 2odpA1 ASP 651 HA 0.00 0.00 0.47 -0.75 4.63 4.35 2odpA1 ASP 651 HB2 -0.02 0.12 -0.20 -0.04 2.71 2.57 2odpA1 ASP 651 HB3 0.03 0.23 -0.04 -0.04 2.70 2.87 2odpA1 GLU 652 H 0.05 0.37 0.28 -0.55 8.60 8.75 2odpA1 GLU 652 HA 0.09 0.13 0.67 -0.75 4.29 4.42 2odpA1 GLU 652 HB2 0.09 -0.02 -0.05 -0.04 2.09 2.07 2odpA1 GLU 652 HB3 0.17 -0.01 -0.04 -0.04 1.99 2.07 2odpA1 GLU 652 HG2 -0.01 0.05 0.14 -0.04 2.34 2.48 2odpA1 GLU 652 HG3 -0.06 -0.09 0.05 -0.04 2.34 2.20 2odpA1 SER 653 H 0.18 0.22 0.05 -0.55 8.46 8.36 2odpA1 SER 653 HA 0.00 0.13 0.68 -0.75 4.49 4.54 2odpA1 SER 653 HB2 0.13 -0.03 0.04 -0.04 3.95 4.05 2odpA1 SER 653 HB3 0.03 0.16 -0.02 -0.04 3.93 4.06 2odpA1 PRO 654 HA -0.22 -0.00 0.39 -0.51 4.44 4.10 2odpA1 PRO 654 HB2 -0.24 0.03 -0.21 -0.04 2.28 1.82 2odpA1 PRO 654 HB3 -0.45 0.06 -0.12 -0.04 2.02 1.47 2odpA1 PRO 654 HG2 -0.34 -0.01 -0.13 -0.04 2.03 1.50 2odpA1 PRO 654 HG3 -1.66 0.05 -0.16 -0.04 2.03 0.21 2odpA1 PRO 654 HD2 -0.23 0.08 0.02 -0.04 3.68 3.51 2odpA1 PRO 654 HD3 -0.29 0.17 0.00 -0.04 3.65 3.49 2odpA1 CYS 655 H 0.04 0.07 0.10 -0.55 8.50 8.17 2odpA1 CYS 655 HA -0.04 0.13 0.69 -0.75 4.58 4.61 2odpA1 CYS 655 HB2 0.04 -0.01 0.05 -0.04 2.97 3.02 2odpA1 CYS 655 HB3 0.00 -0.04 0.11 -0.04 2.97 3.00 2odpA1 LYS 656 H -0.02 0.12 0.10 -0.55 8.42 8.06 2odpA1 LYS 656 HA 0.01 0.11 0.35 -0.75 4.32 4.04 2odpA1 LYS 656 HB2 -0.01 -0.03 0.11 -0.04 1.87 1.91 2odpA1 LYS 656 HB3 0.00 -0.01 0.11 -0.04 1.79 1.85 2odpA1 LYS 656 HG2 0.03 0.14 -0.11 -0.04 1.46 1.48 2odpA1 LYS 656 HG3 0.03 -0.00 0.05 -0.04 1.46 1.50 2odpA1 LYS 656 HD2 0.01 -0.06 0.01 -0.04 1.69 1.62 2odpA1 LYS 656 HD3 0.02 0.02 -0.01 -0.04 1.68 1.67 2odpA1 LYS 656 HE2 0.05 0.07 -0.01 -0.04 2.99 3.06 2odpA1 LYS 656 HE3 0.04 -0.03 0.00 -0.04 2.99 2.95 2odpA1 GLY 657 H 0.02 -0.01 -0.16 -0.55 8.43 7.73 2odpA1 GLY 657 HA2 0.01 0.49 0.37 -0.51 4.01 4.37 2odpA1 GLY 657 HA3 0.02 -0.02 0.23 -0.51 4.01 3.74 2odpA1 GLU 658 H 0.03 0.22 -0.66 -0.55 8.60 7.66 2odpA1 GLU 658 HA 0.11 0.20 0.62 -0.75 4.29 4.46 2odpA1 GLU 658 HB2 0.03 0.05 0.01 -0.04 2.09 2.14 2odpA1 GLU 658 HB3 0.14 0.04 0.03 -0.04 1.99 2.16 2odpA1 GLU 658 HG2 0.19 0.20 -0.07 -0.04 2.34 2.60 2odpA1 GLU 658 HG3 0.10 -0.06 -0.20 -0.04 2.34 2.14 2odpA1 SER 659 H 0.04 0.34 -0.24 -0.55 8.46 8.04 2odpA1 SER 659 HA 0.06 -0.07 0.34 -0.75 4.49 4.07 2odpA1 SER 659 HB2 0.08 0.27 0.19 -0.04 3.95 4.44 2odpA1 SER 659 HB3 0.01 -0.08 -0.04 -0.04 3.93 3.78 2odpA1 GLY 660 H 0.04 0.63 0.32 -0.55 8.43 8.87 2odpA1 GLY 660 HA2 -0.03 -0.11 0.41 -0.51 4.01 3.77 2odpA1 GLY 660 HA3 -0.08 0.22 0.74 -0.51 4.01 4.38 2odpA1 GLY 661 H 0.08 0.35 -0.39 -0.55 8.43 7.93 2odpA1 GLY 661 HA2 0.15 0.07 0.23 -0.51 4.01 3.95 2odpA1 GLY 661 HA3 0.23 0.11 0.25 -0.51 4.01 4.10 2odpA1 ALA 662 H 0.33 0.14 0.07 -0.55 8.40 8.39 2odpA1 ALA 662 HA 0.14 0.15 0.49 -0.75 4.34 4.37 2odpA1 ALA 662 HB3 0.15 -0.00 0.00 -0.04 1.41 1.53 2odpA1 VAL 663 H 0.11 0.71 0.25 -0.55 8.24 8.75 2odpA1 VAL 663 HA 0.09 0.40 0.86 -0.75 4.13 4.72 2odpA1 VAL 663 HB -0.02 -0.15 -0.09 -0.04 2.12 1.81 2odpA1 VAL 663 HG13 -0.12 -0.01 -0.21 -0.04 0.97 0.58 2odpA1 VAL 663 HG23 -0.39 -0.00 -0.28 -0.04 0.95 0.24 2odpA1 PHE 664 H -0.22 0.56 0.28 -0.55 8.34 8.41 2odpA1 PHE 664 HA 0.03 0.16 1.24 -0.75 4.62 5.29 2odpA1 PHE 664 HB2 -0.11 0.07 -0.10 -0.04 3.15 2.97 2odpA1 PHE 664 HB3 -0.15 -0.08 -0.38 -0.04 3.06 2.41 2odpA1 PHE 664 HD2 0.27 0.04 -0.36 -0.04 7.28 7.19 2odpA1 PHE 664 HE2 0.20 -0.02 -0.25 -0.04 7.38 7.27 2odpA1 PHE 664 HZ 0.07 0.02 -0.20 -0.04 7.32 7.16 2odpA1 LEU 665 H 0.32 0.54 0.40 -0.55 8.37 9.09 2odpA1 LEU 665 HA 0.17 0.15 0.90 -0.75 4.35 4.81 2odpA1 LEU 665 HB2 0.12 0.05 -0.07 -0.04 1.64 1.70 2odpA1 LEU 665 HB3 0.05 0.19 0.19 -0.04 1.64 2.02 2odpA1 LEU 665 HG 0.14 -0.02 -0.02 -0.04 1.64 1.70 2odpA1 LEU 665 HD13 0.04 -0.00 -0.06 -0.04 0.93 0.87 2odpA1 LEU 665 HD23 0.02 -0.00 -0.37 -0.04 0.89 0.51 2odpA1 GLU 666 H 0.19 0.20 0.17 -0.55 8.60 8.62 2odpA1 GLU 666 HA -0.03 0.39 0.91 -0.75 4.29 4.80 2odpA1 GLU 666 HB2 0.26 0.01 -0.08 -0.04 2.09 2.23 2odpA1 GLU 666 HB3 0.09 -0.06 0.08 -0.04 1.99 2.06 2odpA1 GLU 666 HG2 -0.22 -0.12 -0.20 -0.04 2.34 1.76 2odpA1 GLU 666 HG3 -0.77 0.12 -0.21 -0.04 2.34 1.43 2odpA1 ARG 667 H 0.07 0.86 0.24 -0.55 8.46 9.07 2odpA1 ARG 667 HA -0.09 0.03 0.62 -0.75 4.34 4.15 2odpA1 ARG 667 HB2 -0.09 0.02 -0.06 -0.04 1.90 1.73 2odpA1 ARG 667 HB3 -0.12 0.02 -0.06 -0.04 1.80 1.59 2odpA1 ARG 667 HG2 -0.05 0.00 0.08 -0.04 1.67 1.66 2odpA1 ARG 667 HG3 -0.10 -0.04 -0.20 -0.04 1.67 1.28 2odpA1 ARG 667 HD2 -0.18 0.01 -0.05 -0.04 3.22 2.97 2odpA1 ARG 667 HD3 -0.11 -0.07 0.05 -0.04 3.22 3.05 2odpA1 ARG 668 H -0.17 0.10 0.11 -0.55 8.46 7.94 2odpA1 ARG 668 HA -0.23 -0.03 0.31 -0.75 4.34 3.64 2odpA1 ARG 668 HB2 -0.01 0.04 -0.21 -0.04 1.90 1.67 2odpA1 ARG 668 HB3 0.02 0.16 0.32 -0.04 1.80 2.26 2odpA1 ARG 668 HG2 -0.01 0.00 0.04 -0.04 1.67 1.66 2odpA1 ARG 668 HG3 -0.09 -0.12 0.07 -0.04 1.67 1.49 2odpA1 ARG 668 HD2 -0.06 -0.06 -0.04 -0.04 3.22 3.02 2odpA1 ARG 668 HD3 -0.01 0.20 -0.05 -0.04 3.22 3.31 2odpA1 PHE 669 H -0.42 -0.03 -0.22 -0.55 8.34 7.12 2odpA1 PHE 669 HA -0.19 -0.07 0.19 -0.75 4.62 3.79 2odpA1 PHE 669 HB2 -0.13 0.27 -0.11 -0.04 3.15 3.14 2odpA1 PHE 669 HB3 -0.15 0.02 0.18 -0.04 3.06 3.07 2odpA1 PHE 669 HD2 0.00 0.12 -0.21 -0.04 7.28 7.15 2odpA1 PHE 669 HE2 0.03 -0.05 -0.11 -0.04 7.38 7.21 2odpA1 PHE 669 HZ -0.04 -0.07 -0.03 -0.04 7.32 7.13 2odpA1 ARG 670 H -0.09 0.27 -0.58 -0.55 8.46 7.51 2odpA1 ARG 670 HA -0.26 0.42 0.99 -0.75 4.34 4.73 2odpA1 ARG 670 HB2 0.00 0.01 0.00 -0.04 1.90 1.88 2odpA1 ARG 670 HB3 -0.40 -0.06 0.10 -0.04 1.80 1.40 2odpA1 ARG 670 HG2 -0.05 0.07 -0.24 -0.04 1.67 1.41 2odpA1 ARG 670 HG3 -0.02 -0.05 0.05 -0.04 1.67 1.62 2odpA1 ARG 670 HD2 -0.13 0.10 0.10 -0.04 3.22 3.24 2odpA1 ARG 670 HD3 -0.14 0.24 0.07 -0.04 3.22 3.34 2odpA1 PHE 671 H -0.29 0.45 0.35 -0.55 8.34 8.30 2odpA1 PHE 671 HA -0.04 0.29 0.95 -0.75 4.62 5.07 2odpA1 PHE 671 HB2 -0.47 -0.08 0.06 -0.04 3.15 2.62 2odpA1 PHE 671 HB3 -0.71 -0.05 -0.08 -0.04 3.06 2.17 2odpA1 PHE 671 HD2 0.27 0.03 -0.36 -0.04 7.28 7.19 2odpA1 PHE 671 HE2 0.21 -0.06 -0.21 -0.04 7.38 7.28 2odpA1 PHE 671 HZ 0.16 -0.01 -0.18 -0.04 7.32 7.25 2odpA1 PHE 672 H 0.23 0.55 0.35 -0.55 8.34 8.92 2odpA1 PHE 672 HA -0.10 0.26 0.91 -0.75 4.62 4.94 2odpA1 PHE 672 HB2 0.01 -0.05 0.03 -0.04 3.15 3.10 2odpA1 PHE 672 HB3 -0.03 -0.02 -0.13 -0.04 3.06 2.84 2odpA1 PHE 672 HD2 -0.05 0.00 -0.22 -0.04 7.28 6.97 2odpA1 PHE 672 HE2 -0.10 0.10 -0.12 -0.04 7.38 7.23 2odpA1 PHE 672 HZ -0.08 0.09 -0.31 -0.04 7.32 6.98 2odpA1 GLN 673 H -0.06 0.71 0.27 -0.55 8.47 8.84 2odpA1 GLN 673 HA 0.05 0.13 0.87 -0.75 4.36 4.65 2odpA1 GLN 673 HB2 -0.19 -0.01 0.03 -0.04 2.15 1.94 2odpA1 GLN 673 HB3 -0.07 -0.01 0.14 -0.04 2.02 2.05 2odpA1 GLN 673 HG2 0.00 -0.09 -0.23 -0.04 2.40 2.05 2odpA1 GLN 673 HG3 0.03 0.06 0.13 -0.04 2.39 2.57 2odpA1 GLN 673 HE21 0.07 0.03 -0.13 -0.04 6.97 6.90 2odpA1 GLN 673 HE22 0.06 0.24 -0.14 -0.04 7.69 7.81 2odpA1 VAL 674 H 0.09 0.52 0.44 -0.55 8.24 8.74 2odpA1 VAL 674 HA -0.08 0.11 0.87 -0.75 4.13 4.28 2odpA1 VAL 674 HB 0.24 -0.10 0.06 -0.04 2.12 2.27 2odpA1 VAL 674 HG13 0.20 0.02 -0.15 -0.04 0.97 0.99 2odpA1 VAL 674 HG23 0.10 0.02 -0.12 -0.04 0.95 0.91 2odpA1 GLY 675 H 0.06 0.48 0.31 -0.55 8.43 8.73 2odpA1 GLY 675 HA2 0.06 0.04 0.66 -0.51 4.01 4.26 2odpA1 GLY 675 HA3 0.10 0.03 0.36 -0.51 4.01 3.99 2odpA1 LEU 676 H 0.11 0.45 0.23 -0.55 8.37 8.62 2odpA1 LEU 676 HA 0.09 0.24 0.75 -0.75 4.35 4.67 2odpA1 LEU 676 HB2 0.07 0.16 -0.19 -0.04 1.64 1.63 2odpA1 LEU 676 HB3 0.07 0.00 -0.27 -0.04 1.64 1.40 2odpA1 LEU 676 HG 0.07 -0.14 0.04 -0.04 1.64 1.58 2odpA1 LEU 676 HD13 0.05 0.05 -0.24 -0.04 0.93 0.75 2odpA1 LEU 676 HD23 0.04 0.00 -0.12 -0.04 0.89 0.77 2odpA1 VAL 677 H 0.08 0.73 0.07 -0.55 8.24 8.57 2odpA1 VAL 677 HA 0.22 -0.02 0.34 -0.75 4.13 3.91 2odpA1 VAL 677 HB 0.04 -0.08 0.16 -0.04 2.12 2.21 2odpA1 VAL 677 HG13 -0.04 0.00 -0.32 -0.04 0.97 0.56 2odpA1 VAL 677 HG23 -0.07 0.06 -0.14 -0.04 0.95 0.77 2odpA1 SER 678 H 0.13 0.21 0.32 -0.55 8.46 8.57 2odpA1 SER 678 HA 0.26 0.14 1.04 -0.75 4.49 5.17 2odpA1 SER 678 HB2 0.32 -0.09 0.12 -0.04 3.95 4.26 2odpA1 SER 678 HB3 0.39 0.23 0.31 -0.04 3.93 4.83 2odpA1 TRP 679 H -0.14 0.55 0.42 -0.55 7.97 8.25 2odpA1 TRP 679 HA -0.30 0.16 0.65 -0.75 4.62 4.38 2odpA1 TRP 679 HB2 -0.45 0.01 0.15 -0.04 3.23 2.90 2odpA1 TRP 679 HB3 -1.36 0.09 -0.24 -0.04 3.23 1.68 2odpA1 TRP 679 HD1 -0.16 -0.06 -0.09 -0.04 7.22 6.86 2odpA1 TRP 679 HE1 -1.55 -0.03 -0.09 -0.04 10.20 8.50 2odpA1 TRP 679 HE3 0.09 0.13 -0.08 -0.04 7.59 7.69 2odpA1 TRP 679 HZ2 -0.92 0.05 -0.21 -0.04 7.44 6.33 2odpA1 TRP 679 HZ3 0.35 0.04 -0.14 -0.04 7.13 7.34 2odpA1 TRP 679 HH2 -0.53 -0.02 -0.13 -0.04 7.19 6.47 2odpA1 GLY 680 H 0.26 0.35 0.23 -0.55 8.43 8.74 2odpA1 GLY 680 HA2 -0.39 0.14 0.69 -0.51 4.01 3.94 2odpA1 GLY 680 HA3 -0.19 0.04 0.44 -0.51 4.01 3.79 2odpA1 LEU 681 H -0.04 0.40 0.36 -0.55 8.37 8.54 2odpA1 LEU 681 HA 0.20 0.13 0.65 -0.75 4.35 4.58 2odpA1 LEU 681 HB2 0.07 0.04 0.10 -0.04 1.64 1.80 2odpA1 LEU 681 HB3 0.13 0.06 0.08 -0.04 1.64 1.87 2odpA1 LEU 681 HG 0.22 -0.02 -0.05 -0.04 1.64 1.75 2odpA1 LEU 681 HD13 0.15 0.01 -0.14 -0.04 0.93 0.91 2odpA1 LEU 681 HD23 0.49 -0.01 -0.06 -0.04 0.89 1.28 2odpA1 TYR 682 H 0.07 0.10 -0.09 -0.55 8.29 7.82 2odpA1 TYR 682 HA 0.00 0.11 0.71 -0.75 4.56 4.63 2odpA1 TYR 682 HB2 -0.01 0.22 -0.33 -0.04 3.06 2.89 2odpA1 TYR 682 HB3 -0.04 -0.12 0.01 -0.04 2.98 2.80 2odpA1 TYR 682 HD2 -0.01 0.04 -0.09 -0.04 7.15 7.05 2odpA1 TYR 682 HE2 0.00 0.10 -0.08 -0.04 6.85 6.83 2odpA1 ASN 683 H -0.48 0.21 0.04 -0.55 8.53 7.76 2odpA1 ASN 683 HA -0.19 0.32 0.78 -0.75 4.76 4.92 2odpA1 ASN 683 HB2 -0.12 0.08 0.02 -0.04 2.88 2.82 2odpA1 ASN 683 HB3 -0.20 0.03 0.21 -0.04 2.79 2.79 2odpA1 ASN 683 HD21 -0.04 -0.04 0.02 -0.04 7.03 6.93 2odpA1 ASN 683 HD22 -0.05 0.13 0.04 -0.04 7.74 7.81 2odpA1 PRO 684 HA -0.14 0.16 0.41 -0.51 4.44 4.36 2odpA1 PRO 684 HB2 0.06 -0.05 -0.06 -0.04 2.28 2.19 2odpA1 PRO 684 HB3 0.16 0.30 0.11 -0.04 2.02 2.54 2odpA1 PRO 684 HG2 0.12 0.17 0.05 -0.04 2.03 2.32 2odpA1 PRO 684 HG3 0.27 0.03 0.01 -0.04 2.03 2.29 2odpA1 PRO 684 HD2 -0.04 0.04 -0.11 -0.04 3.68 3.54 2odpA1 PRO 684 HD3 -0.06 0.48 0.06 -0.04 3.65 4.10 2odpA1 CYS 685 H -0.08 -0.04 -0.43 -0.55 8.50 7.40 2odpA1 CYS 685 HA -0.01 0.33 0.93 -0.75 4.58 5.07 2odpA1 CYS 685 HB2 -0.01 -0.16 0.02 -0.04 2.97 2.78 2odpA1 CYS 685 HB3 0.00 0.05 0.17 -0.04 2.97 3.15 2odpA1 LEU 686 H -0.12 0.35 -0.19 -0.55 8.37 7.86 2odpA1 LEU 686 HA -0.04 0.07 0.24 -0.75 4.35 3.87 2odpA1 LEU 686 HB2 -0.09 -0.08 0.12 -0.04 1.64 1.54 2odpA1 LEU 686 HB3 -0.12 0.13 0.12 -0.04 1.64 1.72 2odpA1 LEU 686 HG -0.03 0.01 0.05 -0.04 1.64 1.63 2odpA1 LEU 686 HD13 -0.02 -0.00 0.04 -0.04 0.93 0.91 2odpA1 LEU 686 HD23 -0.04 0.00 0.04 -0.04 0.89 0.84 2odpA1 ASN 692 HA 0.01 -0.09 0.12 -0.75 4.76 4.05 2odpA1 ASN 692 HB2 0.01 -0.00 -0.03 -0.04 2.88 2.82 2odpA1 ASN 692 HB3 0.01 -0.02 0.10 -0.04 2.79 2.83 2odpA1 ASN 692 HD21 0.02 0.02 0.01 -0.04 7.03 7.03 2odpA1 ASN 692 HD22 0.01 -0.01 0.00 -0.04 7.74 7.71 2odpA1 SER 693 H 0.02 0.29 0.24 -0.55 8.46 8.46 2odpA1 SER 693 HA 0.02 0.12 0.90 -0.75 4.49 4.78 2odpA1 SER 693 HB2 0.02 0.02 0.19 -0.04 3.95 4.14 2odpA1 SER 693 HB3 0.02 -0.01 0.05 -0.04 3.93 3.95 2odpA1 ARG 694 H 0.03 0.24 0.17 -0.55 8.46 8.34 2odpA1 ARG 694 HA 0.04 0.32 0.69 -0.75 4.34 4.63 2odpA1 ARG 694 HB2 0.06 -0.02 -0.07 -0.04 1.90 1.83 2odpA1 ARG 694 HB3 0.07 0.01 -0.07 -0.04 1.80 1.77 2odpA1 ARG 694 HG2 0.05 0.02 -0.34 -0.04 1.67 1.37 2odpA1 ARG 694 HG3 0.04 -0.03 -0.43 -0.04 1.67 1.20 2odpA1 ARG 694 HD2 0.04 -0.04 -0.14 -0.04 3.22 3.04 2odpA1 ARG 694 HD3 0.05 0.02 -0.10 -0.04 3.22 3.15 2odpA1 LYS 695 H 0.07 0.71 0.28 -0.55 8.42 8.92 2odpA1 LYS 695 HA 0.07 0.06 0.78 -0.75 4.32 4.47 2odpA1 LYS 695 HB2 0.15 0.07 -0.09 -0.04 1.87 1.96 2odpA1 LYS 695 HB3 0.07 -0.05 0.06 -0.04 1.79 1.83 2odpA1 LYS 695 HG2 0.04 -0.02 0.01 -0.04 1.46 1.46 2odpA1 LYS 695 HG3 0.06 0.26 0.26 -0.04 1.46 1.99 2odpA1 LYS 695 HD2 0.15 -0.04 -0.08 -0.04 1.69 1.68 2odpA1 LYS 695 HD3 0.04 0.01 -0.06 -0.04 1.68 1.63 2odpA1 LYS 695 HE2 -0.08 0.09 -0.18 -0.04 2.99 2.79 2odpA1 LYS 695 HE3 -0.15 -0.15 0.01 -0.04 2.99 2.66 2odpA1 ARG 696 H 0.05 0.09 0.15 -0.55 8.46 8.20 2odpA1 ARG 696 HA 0.05 0.12 0.80 -0.75 4.34 4.56 2odpA1 ARG 696 HB2 -0.01 -0.05 0.03 -0.04 1.90 1.83 2odpA1 ARG 696 HB3 -0.03 0.09 0.06 -0.04 1.80 1.87 2odpA1 ARG 696 HG2 0.03 0.05 -0.05 -0.04 1.67 1.66 2odpA1 ARG 696 HG3 0.02 -0.03 0.04 -0.04 1.67 1.66 2odpA1 ARG 696 HD2 -0.01 -0.04 0.00 -0.04 3.22 3.14 2odpA1 ARG 696 HD3 -0.01 0.05 -0.01 -0.04 3.22 3.22 2odpA1 ALA 697 H -0.33 0.13 0.07 -0.55 8.40 7.72 2odpA1 ALA 697 HA -0.30 0.10 0.53 -0.75 4.34 3.92 2odpA1 ALA 697 HB3 -0.80 0.02 0.06 -0.04 1.41 0.65 2odpA1 PRO 698 HA -0.05 0.07 0.60 -0.51 4.44 4.55 2odpA1 PRO 698 HB2 -0.04 -0.09 0.03 -0.04 2.28 2.14 2odpA1 PRO 698 HB3 -0.02 0.02 0.11 -0.04 2.02 2.08 2odpA1 PRO 698 HG2 -0.01 0.06 0.08 -0.04 2.03 2.12 2odpA1 PRO 698 HG3 -0.01 0.06 0.09 -0.04 2.03 2.13 2odpA1 PRO 698 HD2 -0.08 0.13 0.24 -0.04 3.68 3.93 2odpA1 PRO 698 HD3 -0.02 0.27 0.20 -0.04 3.65 4.06 2odpA1 ARG 699 H -0.04 0.15 0.13 -0.55 8.46 8.15 2odpA1 ARG 699 HA -0.06 0.15 0.29 -0.75 4.34 3.97 2odpA1 ARG 699 HB2 -0.03 -0.04 0.08 -0.04 1.90 1.87 2odpA1 ARG 699 HB3 -0.03 0.01 0.07 -0.04 1.80 1.81 2odpA1 ARG 699 HG2 -0.04 0.07 0.04 -0.04 1.67 1.69 2odpA1 ARG 699 HG3 -0.04 0.01 0.07 -0.04 1.67 1.67 2odpA1 ARG 699 HD2 -0.02 -0.01 0.02 -0.04 3.22 3.16 2odpA1 ARG 699 HD3 -0.03 0.01 0.01 -0.04 3.22 3.18 2odpA1 SER 700 H -0.03 -0.03 -0.59 -0.55 8.46 7.27 2odpA1 SER 700 HA -0.02 0.19 0.72 -0.75 4.49 4.62 2odpA1 SER 700 HB2 -0.01 0.02 0.09 -0.04 3.95 4.00 2odpA1 SER 700 HB3 -0.02 -0.04 -0.00 -0.04 3.93 3.84 2odpA1 LYS 701 H -0.06 0.62 -0.33 -0.55 8.42 8.09 2odpA1 LYS 701 HA -0.02 0.01 -0.16 -0.75 4.32 3.39 2odpA1 VAL 702 H -0.02 0.45 0.25 -0.55 8.24 8.37 2odpA1 VAL 702 HA -0.00 -0.17 0.22 -0.75 4.13 3.42 2odpA1 VAL 702 HB 0.00 -0.04 0.13 -0.04 2.12 2.17 2odpA1 VAL 702 HG13 0.01 -0.01 -0.10 -0.04 0.97 0.83 2odpA1 VAL 702 HG23 -0.00 0.04 0.09 -0.04 0.95 1.04 2odpA1 PRO 703 HA 0.01 -0.03 0.32 -0.51 4.44 4.23 2odpA1 PRO 703 HB2 0.05 0.15 -0.05 -0.04 2.28 2.40 2odpA1 PRO 703 HB3 0.05 -0.06 0.05 -0.04 2.02 2.02 2odpA1 PRO 703 HG2 0.08 0.09 0.01 -0.04 2.03 2.16 2odpA1 PRO 703 HG3 0.09 -0.10 -0.03 -0.04 2.03 1.95 2odpA1 PRO 703 HD2 0.04 0.12 0.48 -0.04 3.68 4.28 2odpA1 PRO 703 HD3 0.03 0.09 0.00 -0.04 3.65 3.73 2odpA1 PRO 704 HA -0.09 0.12 0.33 -0.51 4.44 4.29 2odpA1 PRO 704 HB2 -0.07 0.18 -0.02 -0.04 2.28 2.33 2odpA1 PRO 704 HB3 -0.06 -0.02 0.02 -0.04 2.02 1.92 2odpA1 PRO 704 HG2 -0.03 0.07 -0.06 -0.04 2.03 1.97 2odpA1 PRO 704 HG3 -0.03 -0.03 0.02 -0.04 2.03 1.95 2odpA1 PRO 704 HD2 0.00 0.09 0.14 -0.04 3.68 3.88 2odpA1 PRO 704 HD3 -0.01 0.06 0.10 -0.04 3.65 3.75 2odpA1 PRO 705 HA 0.04 -0.04 0.38 -0.51 4.44 4.31 2odpA1 PRO 705 HB2 -0.06 0.15 0.01 -0.04 2.28 2.34 2odpA1 PRO 705 HB3 0.08 -0.01 0.05 -0.04 2.02 2.10 2odpA1 PRO 705 HG2 -0.25 0.02 0.06 -0.04 2.03 1.82 2odpA1 PRO 705 HG3 -0.62 0.01 0.03 -0.04 2.03 1.41 2odpA1 PRO 705 HD2 -0.14 0.10 0.14 -0.04 3.68 3.75 2odpA1 PRO 705 HD3 -0.24 0.11 0.12 -0.04 3.65 3.60 2odpA1 ARG 706 H -0.11 0.03 0.25 -0.55 8.46 8.09 2odpA1 ARG 706 HA -0.31 0.13 0.40 -0.75 4.34 3.82 2odpA1 ARG 706 HB2 -0.12 0.11 -0.25 -0.04 1.90 1.60 2odpA1 ARG 706 HB3 -0.31 -0.09 -0.04 -0.04 1.80 1.31 2odpA1 ARG 706 HG2 -0.16 0.18 0.03 -0.04 1.67 1.68 2odpA1 ARG 706 HG3 -0.53 -0.04 0.06 -0.04 1.67 1.12 2odpA1 ARG 706 HD2 -0.20 -0.18 -0.20 -0.04 3.22 2.60 2odpA1 ARG 706 HD3 -0.15 0.40 0.10 -0.04 3.22 3.53 2odpA1 ASP 707 H -0.77 0.70 0.35 -0.55 8.40 8.12 2odpA1 ASP 707 HA -0.80 0.17 1.11 -0.75 4.63 4.35 2odpA1 ASP 707 HB2 -0.38 -0.09 -0.10 -0.04 2.71 2.11 2odpA1 ASP 707 HB3 -0.40 0.03 -0.03 -0.04 2.70 2.26 2odpA1 PHE 708 H -0.91 0.85 0.40 -0.55 8.34 8.13 2odpA1 PHE 708 HA -0.56 0.37 0.94 -0.75 4.62 4.62 2odpA1 PHE 708 HB2 -2.31 -0.05 0.08 -0.04 3.15 0.82 2odpA1 PHE 708 HB3 -0.95 -0.01 -0.01 -0.04 3.06 2.05 2odpA1 PHE 708 HD2 -1.54 0.05 -0.15 -0.04 7.28 5.60 2odpA1 PHE 708 HE2 -0.53 -0.01 -0.15 -0.04 7.38 6.66 2odpA1 PHE 708 HZ -0.33 0.06 -0.07 -0.04 7.32 6.94 2odpA1 HIS 709 H 0.05 0.59 0.22 -0.55 8.41 8.73 2odpA1 HIS 709 HA 0.13 0.10 0.92 -0.75 4.63 5.03 2odpA1 HIS 709 HB2 0.10 -0.09 -0.07 -0.04 3.26 3.17 2odpA1 HIS 709 HB3 0.07 0.07 -0.20 -0.04 3.20 3.10 2odpA1 HIS 709 HD2 0.01 -0.05 -0.35 -0.04 6.97 6.54 2odpA1 HIS 709 HE1 -0.26 0.04 -0.25 -0.04 7.75 7.24 2odpA1 ILE 710 H 0.22 0.34 0.25 -0.55 8.25 8.51 2odpA1 ILE 710 HA -0.20 0.12 0.55 -0.75 4.18 3.90 2odpA1 ILE 710 HB 0.05 0.02 0.16 -0.04 1.89 2.08 2odpA1 ILE 710 HG12 0.16 -0.01 0.11 -0.04 1.49 1.71 2odpA1 ILE 710 HG13 -0.00 0.22 0.05 -0.04 1.21 1.44 2odpA1 ILE 710 HG23 -0.07 -0.02 -0.23 -0.04 0.93 0.58 2odpA1 ILE 710 HD13 -0.41 0.01 0.00 -0.04 0.88 0.45 2odpA1 ASN 711 H -0.04 0.85 0.44 -0.55 8.53 9.24 2odpA1 ASN 711 HA 0.12 0.17 0.74 -0.75 4.76 5.04 2odpA1 ASN 711 HB2 0.14 0.01 -0.13 -0.04 2.88 2.85 2odpA1 ASN 711 HB3 0.06 -0.02 0.10 -0.04 2.79 2.89 2odpA1 ASN 711 HD21 0.13 -0.02 -0.07 -0.04 7.03 7.03 2odpA1 ASN 711 HD22 0.08 0.12 -0.16 -0.04 7.74 7.74 2odpA1 LEU 712 H 0.01 0.79 0.32 -0.55 8.37 8.94 2odpA1 LEU 712 HA -0.00 0.02 0.25 -0.75 4.35 3.86 2odpA1 LEU 712 HB2 -0.24 0.11 0.03 -0.04 1.64 1.49 2odpA1 LEU 712 HB3 -0.11 -0.02 -0.01 -0.04 1.64 1.46 2odpA1 LEU 712 HG -0.01 0.00 -0.41 -0.04 1.64 1.18 2odpA1 LEU 712 HD13 -0.02 0.07 -0.11 -0.04 0.93 0.83 2odpA1 LEU 712 HD23 0.04 -0.01 -0.20 -0.04 0.89 0.68 2odpA1 PHE 713 H 0.05 0.18 -0.24 -0.55 8.34 7.77 2odpA1 PHE 713 HA 0.05 0.08 0.35 -0.75 4.62 4.35 2odpA1 PHE 713 HB2 0.01 0.03 -0.04 -0.04 3.15 3.12 2odpA1 PHE 713 HB3 0.01 -0.02 -0.00 -0.04 3.06 3.01 2odpA1 PHE 713 HD2 0.04 -0.00 -0.00 -0.04 7.28 7.27 2odpA1 PHE 713 HE2 0.06 -0.02 -0.09 -0.04 7.38 7.29 2odpA1 PHE 713 HZ 0.02 0.07 -0.17 -0.04 7.32 7.19 2odpA1 ARG 714 H 0.10 0.45 -0.39 -0.55 8.46 8.07 2odpA1 ARG 714 HA 0.06 0.12 0.80 -0.75 4.34 4.57 2odpA1 ARG 714 HB2 0.01 0.17 0.13 -0.04 1.90 2.16 2odpA1 ARG 714 HB3 0.00 -0.09 0.13 -0.04 1.80 1.80 2odpA1 ARG 714 HG2 0.07 -0.11 -0.06 -0.04 1.67 1.53 2odpA1 ARG 714 HG3 0.00 0.26 0.13 -0.04 1.67 2.02 2odpA1 ARG 714 HD2 -0.02 -0.05 -0.04 -0.04 3.22 3.07 2odpA1 ARG 714 HD3 0.02 -0.01 -0.01 -0.04 3.22 3.18 2odpA1 MET 715 H 0.05 0.45 -0.30 -0.55 8.47 8.12 2odpA1 MET 715 HA 0.07 0.15 0.81 -0.75 4.52 4.79 2odpA1 MET 715 HB2 0.09 0.10 0.04 -0.04 2.15 2.35 2odpA1 MET 715 HB3 0.12 -0.09 0.11 -0.04 2.03 2.13 2odpA1 MET 715 HG2 0.00 0.32 -0.13 -0.04 2.63 2.77 2odpA1 MET 715 HG3 -0.02 -0.01 -0.18 -0.04 2.56 2.31 2odpA1 MET 715 HE3 -0.17 -0.02 -0.07 -0.04 2.10 1.79 2odpA1 GLN 716 H 0.06 0.20 -0.30 -0.55 8.47 7.88 2odpA1 GLN 716 HA 0.02 0.09 0.25 -0.75 4.36 3.96 2odpA1 GLN 716 HB2 0.02 0.03 0.03 -0.04 2.15 2.19 2odpA1 GLN 716 HB3 -0.05 -0.01 -0.04 -0.04 2.02 1.88 2odpA1 GLN 716 HG2 0.07 0.07 0.01 -0.04 2.40 2.50 2odpA1 GLN 716 HG3 0.09 -0.04 0.01 -0.04 2.39 2.41 2odpA1 GLN 716 HE21 0.08 0.06 -0.13 -0.04 6.97 6.93 2odpA1 GLN 716 HE22 -0.01 0.34 -0.13 -0.04 7.69 7.85 2odpA1 PRO 717 HA -0.08 0.09 0.49 -0.51 4.44 4.43 2odpA1 PRO 717 HB2 0.07 0.03 0.01 -0.04 2.28 2.35 2odpA1 PRO 717 HB3 -0.00 0.06 0.07 -0.04 2.02 2.10 2odpA1 PRO 717 HG2 0.03 0.09 0.02 -0.04 2.03 2.13 2odpA1 PRO 717 HG3 0.00 0.05 0.03 -0.04 2.03 2.07 2odpA1 PRO 717 HD2 0.05 0.11 -0.14 -0.04 3.68 3.66 2odpA1 PRO 717 HD3 0.01 0.11 0.03 -0.04 3.65 3.76 2odpA1 TRP 718 H 0.25 0.18 -0.26 -0.55 7.97 7.59 2odpA1 TRP 718 HA 0.00 0.07 0.39 -0.75 4.62 4.33 2odpA1 TRP 718 HB2 0.04 -0.03 0.07 -0.04 3.23 3.26 2odpA1 TRP 718 HB3 0.03 0.11 0.08 -0.04 3.23 3.41 2odpA1 TRP 718 HD1 0.13 -0.01 0.01 -0.04 7.22 7.30 2odpA1 TRP 718 HE1 0.14 0.05 -0.07 -0.04 10.20 10.27 2odpA1 TRP 718 HE3 0.05 0.04 -0.23 -0.04 7.59 7.42 2odpA1 TRP 718 HZ2 -0.12 0.04 -0.39 -0.04 7.44 6.93 2odpA1 TRP 718 HZ3 0.04 0.03 -0.20 -0.04 7.13 6.96 2odpA1 TRP 718 HH2 -0.01 -0.03 -0.19 -0.04 7.19 6.93 2odpA1 LEU 719 H 0.23 0.56 -0.03 -0.55 8.37 8.58 2odpA1 LEU 719 HA -0.07 0.03 0.35 -0.75 4.35 3.91 2odpA1 LEU 719 HB2 0.09 0.11 0.11 -0.04 1.64 1.90 2odpA1 LEU 719 HB3 0.13 -0.00 -0.13 -0.04 1.64 1.59 2odpA1 LEU 719 HG 0.20 -0.00 -0.06 -0.04 1.64 1.74 2odpA1 LEU 719 HD13 0.37 -0.01 -0.07 -0.04 0.93 1.18 2odpA1 LEU 719 HD23 0.15 0.01 -0.11 -0.04 0.89 0.90 2odpA1 ARG 720 H -0.29 0.68 -0.21 -0.55 8.46 8.09 2odpA1 ARG 720 HA -0.75 -0.01 0.40 -0.75 4.34 3.23 2odpA1 ARG 720 HB2 -0.34 0.08 0.14 -0.04 1.90 1.74 2odpA1 ARG 720 HB3 -0.40 -0.04 0.01 -0.04 1.80 1.32 2odpA1 ARG 720 HG2 -1.18 -0.03 0.01 -0.04 1.67 0.43 2odpA1 ARG 720 HG3 -1.45 -0.03 -0.01 -0.04 1.67 0.14 2odpA1 ARG 720 HD2 -0.30 -0.06 -0.12 -0.04 3.22 2.69 2odpA1 ARG 720 HD3 -0.26 -0.04 -0.10 -0.04 3.22 2.77 2odpA1 GLN 721 H -0.31 0.45 -0.20 -0.55 8.47 7.86 2odpA1 GLN 721 HA -0.31 -0.01 0.38 -0.75 4.36 3.68 2odpA1 GLN 721 HB2 -0.27 -0.00 0.13 -0.04 2.15 1.97 2odpA1 GLN 721 HB3 -0.60 0.11 0.20 -0.04 2.02 1.69 2odpA1 GLN 721 HG2 -1.00 0.02 -0.18 -0.04 2.40 1.20 2odpA1 GLN 721 HG3 -0.34 -0.04 0.05 -0.04 2.39 2.02 2odpA1 GLN 721 HE21 0.01 -0.02 -0.01 -0.04 6.97 6.91 2odpA1 GLN 721 HE22 -0.16 0.00 -0.02 -0.04 7.69 7.47 2odpA1 HIS 722 H -0.47 0.35 -0.38 -0.55 8.41 7.36 2odpA1 HIS 722 HA -0.32 0.15 0.64 -0.75 4.63 4.35 2odpA1 HIS 722 HB2 -0.79 0.09 0.03 -0.04 3.26 2.56 2odpA1 HIS 722 HB3 -0.54 -0.05 -0.01 -0.04 3.20 2.56 2odpA1 HIS 722 HD2 -0.17 0.01 -0.06 -0.04 6.97 6.71 2odpA1 HIS 722 HE1 -0.34 -0.05 -0.05 -0.04 7.75 7.26 2odpA1 LEU 723 H -0.23 0.44 0.01 -0.55 8.37 8.05 2odpA1 LEU 723 HA -0.41 0.17 0.88 -0.75 4.35 4.23 2odpA1 LEU 723 HB2 0.16 0.12 0.02 -0.04 1.64 1.90 2odpA1 LEU 723 HB3 -0.15 -0.13 0.14 -0.04 1.64 1.46 2odpA1 LEU 723 HG -0.33 -0.01 -0.19 -0.04 1.64 1.07 2odpA1 LEU 723 HD13 -0.01 -0.01 -0.07 -0.04 0.93 0.80 2odpA1 LEU 723 HD23 -0.79 0.02 -0.12 -0.04 0.89 -0.04 2odpA1 GLY 724 H -0.13 0.33 -0.14 -0.55 8.43 7.94 2odpA1 GLY 724 HA2 0.16 0.01 0.33 -0.51 4.01 3.99 2odpA1 GLY 724 HA3 -0.05 0.10 0.36 -0.51 4.01 3.92 2odpA1 ASP 725 H -0.07 0.06 -0.35 -0.55 8.40 7.49 2odpA1 ASP 725 HA -0.01 0.20 0.75 -0.75 4.63 4.82 2odpA1 ASP 725 HB2 -0.03 0.01 -0.04 -0.04 2.71 2.60 2odpA1 ASP 725 HB3 -0.00 0.00 0.10 -0.04 2.70 2.76 2odpA1 VAL 726 H -0.11 0.17 -0.34 -0.55 8.24 7.41 2odpA1 VAL 726 HA -0.05 0.14 0.90 -0.75 4.13 4.37 2odpA1 VAL 726 HB -0.35 0.01 0.17 -0.04 2.12 1.91 2odpA1 VAL 726 HG13 -0.18 -0.02 -0.10 -0.04 0.97 0.63 2odpA1 VAL 726 HG23 -0.49 -0.01 -0.03 -0.04 0.95 0.37 2odpA1 LEU 727 H -0.10 0.64 0.20 -0.55 8.37 8.56 2odpA1 LEU 727 HA -0.15 0.17 0.87 -0.75 4.35 4.48 2odpA1 LEU 727 HB2 -0.71 0.01 -0.08 -0.04 1.64 0.82 2odpA1 LEU 727 HB3 -0.43 -0.10 0.04 -0.04 1.64 1.11 2odpA1 LEU 727 HG -0.20 -0.05 -0.06 -0.04 1.64 1.30 2odpA1 LEU 727 HD13 -0.24 -0.01 -0.04 -0.04 0.93 0.60 2odpA1 LEU 727 HD23 -0.11 0.04 -0.15 -0.04 0.89 0.63 2odpA1 ASN 728 H -0.20 0.09 0.08 -0.55 8.53 7.96 2odpA1 ASN 728 HA -0.03 0.26 0.75 -0.75 4.76 4.98 2odpA1 ASN 728 HB2 -0.06 -0.18 0.24 -0.04 2.88 2.84 2odpA1 ASN 728 HB3 -0.02 0.06 0.10 -0.04 2.79 2.88 2odpA1 ASN 728 HD21 -0.02 0.08 -0.02 -0.04 7.03 7.02 2odpA1 ASN 728 HD22 -0.04 -0.09 0.05 -0.04 7.74 7.62 2odpA1 PHE 729 H 0.17 0.30 0.10 -0.55 8.34 8.36 2odpA1 PHE 729 HA -0.02 0.10 0.70 -0.75 4.62 4.64 2odpA1 PHE 729 HB2 -0.04 -0.02 0.10 -0.04 3.15 3.15 2odpA1 PHE 729 HB3 -0.03 0.10 0.05 -0.04 3.06 3.14 2odpA1 PHE 729 HD2 -0.05 0.13 -0.01 -0.04 7.28 7.31 2odpA1 PHE 729 HE2 -0.08 0.01 -0.28 -0.04 7.38 6.99 2odpA1 PHE 729 HZ -0.09 -0.00 -0.24 -0.04 7.32 6.95 2odpA1 LEU 730 H 0.10 0.55 0.06 -0.55 8.37 8.54 2odpA1 LEU 730 HA 0.02 0.14 0.26 -0.75 4.35 4.01 2odpA1 LEU 730 HB2 -0.01 -0.09 -0.00 -0.04 1.64 1.49 2odpA1 LEU 730 HB3 -0.04 0.15 0.02 -0.04 1.64 1.72 2odpA1 LEU 730 HG -0.05 -0.10 -0.63 -0.04 1.64 0.82 2odpA1 LEU 730 HD13 -0.46 0.04 -0.37 -0.04 0.93 0.10 2odpA1 LEU 730 HD23 -0.01 0.05 -0.22 -0.04 0.89 0.67