============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 72 rings ring int. center anis. iso. PHE 4 1.000 1.151 -8.829 63.513 -99.200 -91.000 TRP 6 1.040 -1.241 -3.787 64.251 -99.200 -91.000 TRP6 6 1.020 -0.896 -4.785 62.147 -99.200 -91.000 TYR 15 0.840 14.725 9.099 63.513 -99.200 -91.000 PHE 19 1.000 15.732 12.619 60.052 -99.200 -91.000 TYR 28 0.840 -2.947 -0.549 44.981 -99.200 -91.000 HIS 40 0.900 1.754 3.293 65.758 -99.200 -91.000 HIS 41 0.900 5.484 2.804 62.927 -99.200 -91.000 TYR 42 0.840 5.850 5.304 57.123 -99.200 -91.000 TRP 63 1.040 -5.772 17.912 32.489 -99.200 -91.000 TRP6 63 1.020 -3.537 18.025 33.269 -99.200 -91.000 TRP 65 1.040 -7.572 16.501 37.524 -99.200 -91.000 TRP6 65 1.020 -5.349 17.302 37.595 -99.200 -91.000 PHE 74 1.000 -4.476 7.995 54.591 -99.200 -91.000 HIS 78 0.900 -6.089 9.980 57.984 -99.200 -91.000 PHE 84 1.000 2.966 16.511 41.436 -99.200 -91.000 HIS 85 0.900 8.080 10.192 41.617 -99.200 -91.000 TRP 89 1.040 11.595 10.280 35.556 -99.200 -91.000 TRP6 89 1.020 10.449 8.532 36.650 -99.200 -91.000 HIS 90 0.900 14.663 9.467 32.170 -99.200 -91.000 TRP 96 1.040 0.034 13.797 25.535 -99.200 -91.000 TRP6 96 1.020 0.132 16.139 25.690 -99.200 -91.000 PHE 97 1.000 3.632 16.145 28.017 -99.200 -91.000 PHE 98 1.000 8.701 14.038 24.985 -99.200 -91.000 HIS 129 0.900 1.728 17.371 33.244 -99.200 -91.000 TYR 137 0.840 -3.376 17.649 42.979 -99.200 -91.000 TRP 144 1.040 5.279 21.762 44.342 -99.200 -91.000 TRP6 144 1.020 3.473 20.841 43.124 -99.200 -91.000 TRP 162 1.040 11.140 15.816 29.180 -99.200 -91.000 TRP6 162 1.020 9.353 17.296 28.775 -99.200 -91.000 TYR 163 0.840 20.789 17.746 26.561 -99.200 -91.000 TYR 170 0.840 14.738 18.981 30.428 -99.200 -91.000 PHE 175 1.000 13.933 23.181 39.387 -99.200 -91.000 TYR 181 0.840 1.135 29.399 36.310 -99.200 -91.000 TYR 189 0.840 13.094 19.953 47.960 -99.200 -91.000 TYR 193 0.840 19.468 6.919 38.765 -99.200 -91.000 TYR 205 0.840 28.917 22.268 43.683 -99.200 -91.000 HIS 223 0.900 20.833 14.051 48.320 -99.200 -91.000 HIS 226 0.900 15.556 4.025 44.550 -99.200 -91.000 TRP 231 1.040 27.870 1.627 46.067 -99.200 -91.000 TRP6 231 1.020 25.889 2.383 45.032 -99.200 -91.000 PHE 241 1.000 22.191 13.573 52.810 -99.200 -91.000 PHE 244 1.000 24.068 18.242 45.606 -99.200 -91.000 TYR 261 0.840 18.480 -9.949 46.652 -99.200 -91.000 TRP 263 1.040 23.176 -2.864 38.764 -99.200 -91.000 TRP6 263 1.020 20.817 -2.898 38.642 -99.200 -91.000 TYR 269 0.840 18.405 -14.859 49.924 -99.200 -91.000 TYR 272 0.840 8.924 -11.698 51.021 -99.200 -91.000 PHE 280 1.000 15.365 -10.250 56.955 -99.200 -91.000 TYR 287 0.840 17.060 0.606 56.509 -99.200 -91.000 PHE 291 1.000 16.549 6.344 59.149 -99.200 -91.000 TYR 294 0.840 19.350 9.331 56.232 -99.200 -91.000 PHE 306 1.000 12.367 4.123 55.450 -99.200 -91.000 TRP 307 1.040 9.594 4.361 45.374 -99.200 -91.000 TRP6 307 1.020 8.822 6.579 45.128 -99.200 -91.000 HIS 313 0.900 3.211 -1.628 46.254 -99.200 -91.000 TRP 315 1.040 11.808 0.270 43.341 -99.200 -91.000 TRP6 315 1.020 13.460 0.442 41.669 -99.200 -91.000 TYR 323 0.840 18.679 -6.574 36.068 -99.200 -91.000 PHE 333 1.000 10.096 -0.586 51.838 -99.200 -91.000 PHE 335 1.000 7.392 -0.528 60.000 -99.200 -91.000 HIS 337 0.900 6.662 -12.046 54.454 -99.200 -91.000 TYR 339 0.840 1.018 -5.266 56.221 -99.200 -91.000 TYR 345 0.840 10.325 -0.306 65.114 -99.200 -91.000 TRP 346 1.040 13.000 -4.459 67.327 -99.200 -91.000 TRP6 346 1.020 11.377 -3.607 68.828 -99.200 -91.000 HIS 351 0.900 15.745 8.018 72.209 -99.200 -91.000 HIS 352 0.900 23.879 2.968 69.118 -99.200 -91.000 HIS 353 0.900 23.423 8.049 73.959 -99.200 -91.000 HIS 354 0.900 26.934 1.697 71.100 -99.200 -91.000 HIS 355 0.900 29.669 8.790 68.455 -99.200 -91.000 HIS 356 0.900 27.852 1.713 66.120 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2uwfA1 ASN 11 HA -0.03 -0.13 0.22 -0.75 4.76 4.07 2uwfA1 ASN 11 HB2 -0.02 -0.03 0.04 -0.04 2.88 2.83 2uwfA1 ASN 11 HB3 -0.06 0.02 -0.02 -0.04 2.79 2.69 2uwfA1 ASN 11 HD21 -0.03 -0.05 0.00 -0.04 7.03 6.91 2uwfA1 ASN 11 HD22 -0.02 -0.01 0.05 -0.04 7.74 7.72 2uwfA1 GLN 12 H -0.07 -0.00 0.09 -0.55 8.47 7.94 2uwfA1 GLN 12 HA 0.01 0.15 0.17 -0.75 4.36 3.94 2uwfA1 GLN 12 HB2 -0.01 -0.07 0.13 -0.04 2.15 2.16 2uwfA1 GLN 12 HB3 -0.06 0.05 0.04 -0.04 2.02 2.01 2uwfA1 GLN 12 HG2 0.53 -0.02 -0.03 -0.04 2.40 2.83 2uwfA1 GLN 12 HG3 0.21 0.03 -0.05 -0.04 2.39 2.54 2uwfA1 GLN 12 HE21 0.08 -0.10 -0.02 -0.04 6.97 6.90 2uwfA1 GLN 12 HE22 0.04 -0.04 0.04 -0.04 7.69 7.68 2uwfA1 PRO 13 HA -0.39 0.09 0.53 -0.51 4.44 4.17 2uwfA1 PRO 13 HB2 -0.17 0.10 0.00 -0.04 2.28 2.17 2uwfA1 PRO 13 HB3 -0.06 0.06 0.12 -0.04 2.02 2.10 2uwfA1 PRO 13 HG2 -0.07 -0.03 -0.05 -0.04 2.03 1.84 2uwfA1 PRO 13 HG3 0.21 0.08 0.02 -0.04 2.03 2.30 2uwfA1 PRO 13 HD2 0.25 0.03 0.18 -0.04 3.68 4.09 2uwfA1 PRO 13 HD3 0.11 0.19 0.16 -0.04 3.65 4.07 2uwfA1 PHE 14 H -0.48 0.13 0.18 -0.55 8.34 7.61 2uwfA1 PHE 14 HA -0.61 0.18 0.66 -0.75 4.62 4.09 2uwfA1 PHE 14 HB2 -1.60 -0.01 0.10 -0.04 3.15 1.60 2uwfA1 PHE 14 HB3 -2.79 -0.04 0.08 -0.04 3.06 0.27 2uwfA1 PHE 14 HD2 -0.31 0.02 -0.08 -0.04 7.28 6.86 2uwfA1 PHE 14 HE2 0.01 0.03 -0.01 -0.04 7.38 7.36 2uwfA1 PHE 14 HZ 0.03 -0.01 -0.02 -0.04 7.32 7.29 2uwfA1 ALA 15 H -0.52 0.67 0.31 -0.55 8.40 8.33 2uwfA1 ALA 15 HA -0.46 0.07 0.32 -0.75 4.34 3.52 2uwfA1 ALA 15 HB3 -0.84 -0.00 0.06 -0.04 1.41 0.59 2uwfA1 TRP 16 H -0.77 0.01 -0.32 -0.55 7.97 6.35 2uwfA1 TRP 16 HA -0.53 0.21 0.57 -0.75 4.62 4.12 2uwfA1 TRP 16 HB2 -0.12 0.06 0.07 -0.04 3.23 3.20 2uwfA1 TRP 16 HB3 -0.19 -0.03 -0.01 -0.04 3.23 2.96 2uwfA1 TRP 16 HD1 -0.04 0.07 -0.19 -0.04 7.22 7.01 2uwfA1 TRP 16 HE1 -0.09 0.02 -0.03 -0.04 10.20 10.05 2uwfA1 TRP 16 HE3 -0.26 0.03 0.00 -0.04 7.59 7.32 2uwfA1 TRP 16 HZ2 -0.98 0.03 0.01 -0.04 7.44 6.45 2uwfA1 TRP 16 HZ3 -0.38 -0.04 0.02 -0.04 7.13 6.69 2uwfA1 TRP 16 HH2 -0.37 0.04 0.02 -0.04 7.19 6.83 2uwfA1 GLN 17 H -0.43 0.61 -0.32 -0.55 8.47 7.78 2uwfA1 GLN 17 HA 0.02 0.18 0.71 -0.75 4.36 4.52 2uwfA1 GLN 17 HB2 -0.20 0.05 0.09 -0.04 2.15 2.06 2uwfA1 GLN 17 HB3 -0.02 -0.01 0.16 -0.04 2.02 2.11 2uwfA1 GLN 17 HG2 0.15 0.07 -0.09 -0.04 2.40 2.49 2uwfA1 GLN 17 HG3 -0.49 -0.14 -0.10 -0.04 2.39 1.62 2uwfA1 GLN 17 HE21 0.29 0.01 0.02 -0.04 6.97 7.25 2uwfA1 GLN 17 HE22 0.33 0.03 -0.01 -0.04 7.69 8.00 2uwfA1 VAL 18 H -0.27 0.30 -0.30 -0.55 8.24 7.42 2uwfA1 VAL 18 HA 0.04 0.16 0.89 -0.75 4.13 4.46 2uwfA1 VAL 18 HB -0.08 -0.05 0.05 -0.04 2.12 2.00 2uwfA1 VAL 18 HG13 -0.25 -0.01 -0.24 -0.04 0.97 0.43 2uwfA1 VAL 18 HG23 -0.47 0.03 -0.12 -0.04 0.95 0.35 2uwfA1 ALA 19 H 0.19 0.05 0.10 -0.55 8.40 8.20 2uwfA1 ALA 19 HA 0.17 0.05 0.33 -0.75 4.34 4.14 2uwfA1 ALA 19 HB3 0.12 0.01 0.07 -0.04 1.41 1.57 2uwfA1 SER 20 H 0.08 0.08 0.19 -0.55 8.46 8.27 2uwfA1 SER 20 HA 0.16 0.08 0.52 -0.75 4.49 4.50 2uwfA1 SER 20 HB2 -0.21 0.24 0.28 -0.04 3.95 4.21 2uwfA1 SER 20 HB3 -0.03 -0.11 0.22 -0.04 3.93 3.97 2uwfA1 LEU 21 H 0.63 0.17 0.29 -0.55 8.37 8.91 2uwfA1 LEU 21 HA 0.11 0.11 0.48 -0.75 4.35 4.29 2uwfA1 LEU 21 HB2 0.05 0.15 0.25 -0.04 1.64 2.05 2uwfA1 LEU 21 HB3 0.16 0.01 0.02 -0.04 1.64 1.79 2uwfA1 LEU 21 HG 0.08 0.01 0.09 -0.04 1.64 1.77 2uwfA1 LEU 21 HD13 -0.21 -0.02 0.00 -0.04 0.93 0.66 2uwfA1 LEU 21 HD23 -0.11 0.00 -0.03 -0.04 0.89 0.72 2uwfA1 SER 22 H 0.10 0.30 0.08 -0.55 8.46 8.40 2uwfA1 SER 22 HA 0.18 0.05 0.40 -0.75 4.49 4.36 2uwfA1 SER 22 HB2 0.09 -0.03 0.01 -0.04 3.95 3.98 2uwfA1 SER 22 HB3 0.11 0.04 0.10 -0.04 3.93 4.14 2uwfA1 GLU 23 H 0.03 0.07 -0.36 -0.55 8.60 7.80 2uwfA1 GLU 23 HA -0.00 0.07 0.48 -0.75 4.29 4.08 2uwfA1 GLU 23 HB2 -0.01 0.07 0.08 -0.04 2.09 2.18 2uwfA1 GLU 23 HB3 -0.02 -0.00 0.02 -0.04 1.99 1.94 2uwfA1 GLU 23 HG2 -0.02 0.02 -0.01 -0.04 2.34 2.29 2uwfA1 GLU 23 HG3 -0.03 -0.00 0.04 -0.04 2.34 2.30 2uwfA1 ARG 24 H -0.04 0.33 -0.15 -0.55 8.46 8.05 2uwfA1 ARG 24 HA -0.22 -0.00 0.52 -0.75 4.34 3.88 2uwfA1 ARG 24 HB2 -0.22 -0.06 0.16 -0.04 1.90 1.73 2uwfA1 ARG 24 HB3 -0.24 0.10 0.24 -0.04 1.80 1.86 2uwfA1 ARG 24 HG2 -0.50 0.01 0.15 -0.04 1.67 1.28 2uwfA1 ARG 24 HG3 -1.41 -0.01 -0.11 -0.04 1.67 0.09 2uwfA1 ARG 24 HD2 -0.43 -0.07 0.15 -0.04 3.22 2.82 2uwfA1 ARG 24 HD3 -0.51 -0.02 0.09 -0.04 3.22 2.74 2uwfA1 TYR 25 H 0.02 0.28 -0.34 -0.55 8.29 7.70 2uwfA1 TYR 25 HA -0.19 0.20 0.73 -0.75 4.56 4.54 2uwfA1 TYR 25 HB2 0.01 0.04 0.09 -0.04 3.06 3.16 2uwfA1 TYR 25 HB3 -0.63 -0.09 0.18 -0.04 2.98 2.39 2uwfA1 TYR 25 HD2 -0.11 0.06 -0.01 -0.04 7.15 7.05 2uwfA1 TYR 25 HE2 0.05 -0.04 -0.03 -0.04 6.85 6.79 2uwfA1 GLN 26 H -0.04 0.32 -0.33 -0.55 8.47 7.87 2uwfA1 GLN 26 HA -0.00 -0.04 0.46 -0.75 4.36 4.02 2uwfA1 GLN 26 HB2 -0.02 0.25 0.21 -0.04 2.15 2.54 2uwfA1 GLN 26 HB3 -0.02 -0.04 -0.03 -0.04 2.02 1.89 2uwfA1 GLN 26 HG2 -0.01 -0.05 0.02 -0.04 2.40 2.32 2uwfA1 GLN 26 HG3 -0.00 -0.06 0.06 -0.04 2.39 2.34 2uwfA1 GLN 26 HE21 -0.00 -0.03 -0.04 -0.04 6.97 6.86 2uwfA1 GLN 26 HE22 -0.01 -0.03 0.01 -0.04 7.69 7.62 2uwfA1 GLU 27 H -0.01 0.09 0.14 -0.55 8.60 8.28 2uwfA1 GLU 27 HA -0.01 -0.02 0.31 -0.75 4.29 3.81 2uwfA1 GLU 27 HB2 -0.03 0.35 0.17 -0.04 2.09 2.53 2uwfA1 GLU 27 HB3 -0.02 -0.04 0.16 -0.04 1.99 2.05 2uwfA1 GLU 27 HG2 -0.01 -0.09 -0.22 -0.04 2.34 1.97 2uwfA1 GLU 27 HG3 -0.02 -0.01 -0.09 -0.04 2.34 2.18 2uwfA1 GLN 28 H -0.13 0.44 -0.43 -0.55 8.47 7.81 2uwfA1 GLN 28 HA -0.07 0.12 0.87 -0.75 4.36 4.52 2uwfA1 GLN 28 HB2 -0.47 0.11 0.10 -0.04 2.15 1.85 2uwfA1 GLN 28 HB3 -0.55 -0.07 0.01 -0.04 2.02 1.37 2uwfA1 GLN 28 HG2 -0.05 -0.04 0.00 -0.04 2.40 2.26 2uwfA1 GLN 28 HG3 -0.09 0.02 -0.36 -0.04 2.39 1.92 2uwfA1 GLN 28 HE21 0.04 -0.03 -0.00 -0.04 6.97 6.94 2uwfA1 GLN 28 HE22 0.02 -0.02 0.01 -0.04 7.69 7.66 2uwfA1 PHE 29 H -0.35 0.59 0.24 -0.55 8.34 8.26 2uwfA1 PHE 29 HA -0.00 0.15 0.41 -0.75 4.62 4.42 2uwfA1 PHE 29 HB2 -0.09 -0.16 -0.29 -0.04 3.15 2.57 2uwfA1 PHE 29 HB3 -0.09 0.36 -0.17 -0.04 3.06 3.11 2uwfA1 PHE 29 HD2 -0.07 0.19 -0.29 -0.04 7.28 7.07 2uwfA1 PHE 29 HE2 -0.27 0.00 -0.30 -0.04 7.38 6.77 2uwfA1 PHE 29 HZ -0.18 0.01 -0.10 -0.04 7.32 7.01 2uwfA1 ASP 30 H 0.14 0.47 0.26 -0.55 8.40 8.72 2uwfA1 ASP 30 HA 0.13 0.08 0.53 -0.75 4.63 4.62 2uwfA1 ASP 30 HB2 0.07 -0.02 0.11 -0.04 2.71 2.84 2uwfA1 ASP 30 HB3 0.10 -0.07 -0.14 -0.04 2.70 2.54 2uwfA1 ILE 31 H 0.18 0.12 0.19 -0.55 8.25 8.19 2uwfA1 ILE 31 HA 0.23 0.35 1.01 -0.75 4.18 5.02 2uwfA1 ILE 31 HB 0.21 -0.07 0.26 -0.04 1.89 2.24 2uwfA1 ILE 31 HG12 0.32 0.10 -0.23 -0.04 1.49 1.65 2uwfA1 ILE 31 HG13 0.36 0.04 -0.27 -0.04 1.21 1.30 2uwfA1 ILE 31 HG23 0.32 -0.02 -0.05 -0.04 0.93 1.14 2uwfA1 ILE 31 HD13 0.38 0.02 -0.03 -0.04 0.88 1.20 2uwfA1 GLY 32 H 0.20 0.66 0.35 -0.55 8.43 9.10 2uwfA1 GLY 32 HA2 0.22 0.31 0.90 -0.51 4.01 4.93 2uwfA1 GLY 32 HA3 0.10 -0.05 0.06 -0.51 4.01 3.62 2uwfA1 ALA 33 H -0.11 0.49 0.32 -0.55 8.40 8.56 2uwfA1 ALA 33 HA -0.09 0.28 0.73 -0.75 4.34 4.51 2uwfA1 ALA 33 HB3 -0.81 -0.00 -0.05 -0.04 1.41 0.52 2uwfA1 ALA 34 H -0.20 0.29 0.28 -0.55 8.40 8.22 2uwfA1 ALA 34 HA -0.40 0.26 0.83 -0.75 4.34 4.28 2uwfA1 ALA 34 HB3 -1.13 -0.02 -0.04 -0.04 1.41 0.18 2uwfA1 VAL 35 H -0.36 0.50 0.41 -0.55 8.24 8.24 2uwfA1 VAL 35 HA -0.36 0.13 0.88 -0.75 4.13 4.03 2uwfA1 VAL 35 HB -0.35 0.02 -0.02 -0.04 2.12 1.73 2uwfA1 VAL 35 HG13 -0.30 0.04 -0.34 -0.04 0.97 0.33 2uwfA1 VAL 35 HG23 -0.25 0.03 -0.12 -0.04 0.95 0.57 2uwfA1 GLU 36 H -0.47 0.18 0.17 -0.55 8.60 7.93 2uwfA1 GLU 36 HA -0.26 0.15 0.86 -0.75 4.29 4.28 2uwfA1 GLU 36 HB2 -1.16 -0.02 0.08 -0.04 2.09 0.95 2uwfA1 GLU 36 HB3 -0.67 0.03 0.10 -0.04 1.99 1.40 2uwfA1 GLU 36 HG2 -0.23 -0.05 -0.22 -0.04 2.34 1.79 2uwfA1 GLU 36 HG3 -0.11 0.06 -0.03 -0.04 2.34 2.22 2uwfA1 PRO 37 HA -0.17 0.15 0.38 -0.51 4.44 4.30 2uwfA1 PRO 37 HB2 0.02 0.01 0.06 -0.04 2.28 2.33 2uwfA1 PRO 37 HB3 -0.01 0.11 0.11 -0.04 2.02 2.19 2uwfA1 PRO 37 HG2 0.02 -0.01 0.13 -0.04 2.03 2.14 2uwfA1 PRO 37 HG3 -0.03 0.26 0.15 -0.04 2.03 2.37 2uwfA1 PRO 37 HD2 -0.08 0.09 0.22 -0.04 3.68 3.86 2uwfA1 PRO 37 HD3 -0.11 0.09 0.21 -0.04 3.65 3.79 2uwfA1 TYR 38 H -0.33 0.06 -0.27 -0.55 8.29 7.20 2uwfA1 TYR 38 HA -0.05 0.17 0.40 -0.75 4.56 4.34 2uwfA1 TYR 38 HB2 -0.02 0.05 0.08 -0.04 3.06 3.12 2uwfA1 TYR 38 HB3 -0.01 0.02 0.04 -0.04 2.98 2.99 2uwfA1 TYR 38 HD2 -0.02 0.03 -0.17 -0.04 7.15 6.94 2uwfA1 TYR 38 HE2 0.01 0.02 -0.04 -0.04 6.85 6.79 2uwfA1 GLN 39 H -0.48 0.40 -0.33 -0.55 8.47 7.51 2uwfA1 GLN 39 HA -0.08 0.14 0.82 -0.75 4.36 4.49 2uwfA1 GLN 39 HB2 -0.37 0.09 0.08 -0.04 2.15 1.91 2uwfA1 GLN 39 HB3 -0.23 -0.02 0.16 -0.04 2.02 1.89 2uwfA1 GLN 39 HG2 -0.17 0.04 0.02 -0.04 2.40 2.25 2uwfA1 GLN 39 HG3 -0.71 -0.10 -0.02 -0.04 2.39 1.52 2uwfA1 GLN 39 HE21 -1.10 0.03 0.04 -0.04 6.97 5.90 2uwfA1 GLN 39 HE22 -0.45 0.04 0.01 -0.04 7.69 7.25 2uwfA1 LEU 40 H -0.19 0.36 -0.39 -0.55 8.37 7.59 2uwfA1 LEU 40 HA -0.49 0.11 0.42 -0.75 4.35 3.64 2uwfA1 LEU 40 HB2 -0.20 0.12 0.14 -0.04 1.64 1.66 2uwfA1 LEU 40 HB3 -0.57 0.02 0.15 -0.04 1.64 1.20 2uwfA1 LEU 40 HG -0.35 -0.00 -0.05 -0.04 1.64 1.20 2uwfA1 LEU 40 HD13 -0.24 -0.01 -0.11 -0.04 0.93 0.53 2uwfA1 LEU 40 HD23 -0.87 -0.00 -0.19 -0.04 0.89 -0.21 2uwfA1 GLU 41 H -0.11 0.24 -0.79 -0.55 8.60 7.40 2uwfA1 GLU 41 HA -0.02 0.19 0.56 -0.75 4.29 4.26 2uwfA1 GLU 41 HB2 -0.02 0.01 -0.14 -0.04 2.09 1.90 2uwfA1 GLU 41 HB3 -0.03 -0.04 -0.01 -0.04 1.99 1.88 2uwfA1 GLU 41 HG2 -0.00 -0.03 0.01 -0.04 2.34 2.28 2uwfA1 GLU 41 HG3 0.01 0.02 0.15 -0.04 2.34 2.47 2uwfA1 GLY 42 H -0.07 0.19 0.11 -0.55 8.43 8.12 2uwfA1 GLY 42 HA2 -0.14 0.11 0.33 -0.51 4.01 3.80 2uwfA1 GLY 42 HA3 -0.12 0.02 0.32 -0.51 4.01 3.72 2uwfA1 ARG 43 H -0.24 0.17 0.21 -0.55 8.46 8.05 2uwfA1 ARG 43 HA -0.48 0.11 0.36 -0.75 4.34 3.58 2uwfA1 ARG 43 HB2 -0.48 0.01 0.13 -0.04 1.90 1.52 2uwfA1 ARG 43 HB3 -0.54 0.02 0.06 -0.04 1.80 1.31 2uwfA1 ARG 43 HG2 -0.35 -0.03 0.12 -0.04 1.67 1.36 2uwfA1 ARG 43 HG3 -0.35 0.06 0.05 -0.04 1.67 1.39 2uwfA1 ARG 43 HD2 -2.12 0.00 0.04 -0.04 3.22 1.09 2uwfA1 ARG 43 HD3 -0.80 -0.02 -0.03 -0.04 3.22 2.32 2uwfA1 GLN 44 H -0.23 0.19 -0.01 -0.55 8.47 7.87 2uwfA1 GLN 44 HA -0.25 0.01 0.44 -0.75 4.36 3.80 2uwfA1 GLN 44 HB2 -0.13 0.21 0.21 -0.04 2.15 2.40 2uwfA1 GLN 44 HB3 -0.15 0.02 0.08 -0.04 2.02 1.93 2uwfA1 GLN 44 HG2 0.04 -0.05 0.06 -0.04 2.40 2.40 2uwfA1 GLN 44 HG3 -0.10 -0.08 0.07 -0.04 2.39 2.24 2uwfA1 GLN 44 HE21 0.07 -0.00 0.05 -0.04 6.97 7.05 2uwfA1 GLN 44 HE22 -0.01 0.09 0.12 -0.04 7.69 7.85 2uwfA1 ALA 45 H -0.14 0.32 -0.35 -0.55 8.40 7.69 2uwfA1 ALA 45 HA -0.09 0.07 0.46 -0.75 4.34 4.03 2uwfA1 ALA 45 HB3 -0.00 0.01 -0.32 -0.04 1.41 1.06 2uwfA1 GLN 46 H -0.15 0.29 -0.36 -0.55 8.47 7.72 2uwfA1 GLN 46 HA -0.07 0.08 0.38 -0.75 4.36 4.00 2uwfA1 GLN 46 HB2 -0.23 0.02 0.04 -0.04 2.15 1.93 2uwfA1 GLN 46 HB3 -0.23 0.06 0.16 -0.04 2.02 1.97 2uwfA1 GLN 46 HG2 -0.02 0.03 -0.13 -0.04 2.40 2.24 2uwfA1 GLN 46 HG3 -0.12 0.03 0.01 -0.04 2.39 2.27 2uwfA1 GLN 46 HE21 -0.53 -0.03 -0.02 -0.04 6.97 6.35 2uwfA1 GLN 46 HE22 -0.12 0.07 -0.01 -0.04 7.69 7.59 2uwfA1 ILE 47 H -0.09 0.64 -0.01 -0.55 8.25 8.25 2uwfA1 ILE 47 HA 0.03 0.03 0.37 -0.75 4.18 3.86 2uwfA1 ILE 47 HB -0.08 0.11 0.19 -0.04 1.89 2.06 2uwfA1 ILE 47 HG12 -0.14 0.26 0.04 -0.04 1.49 1.61 2uwfA1 ILE 47 HG13 -0.22 -0.11 -0.02 -0.04 1.21 0.83 2uwfA1 ILE 47 HG23 -0.10 -0.01 -0.11 -0.04 0.93 0.66 2uwfA1 ILE 47 HD13 0.07 -0.03 -0.11 -0.04 0.88 0.78 2uwfA1 LEU 48 H 0.03 0.48 -0.25 -0.55 8.37 8.08 2uwfA1 LEU 48 HA 0.41 -0.05 0.31 -0.75 4.35 4.27 2uwfA1 LEU 48 HB2 0.11 0.14 0.16 -0.04 1.64 2.01 2uwfA1 LEU 48 HB3 0.18 0.04 -0.06 -0.04 1.64 1.76 2uwfA1 LEU 48 HG -0.11 0.12 0.04 -0.04 1.64 1.65 2uwfA1 LEU 48 HD13 -0.30 -0.03 -0.10 -0.04 0.93 0.45 2uwfA1 LEU 48 HD23 -0.25 -0.02 -0.06 -0.04 0.89 0.52 2uwfA1 LYS 49 H 0.07 0.45 -0.09 -0.55 8.42 8.29 2uwfA1 LYS 49 HA 0.02 0.14 0.49 -0.75 4.32 4.21 2uwfA1 LYS 49 HB2 -0.05 0.03 0.15 -0.04 1.87 1.96 2uwfA1 LYS 49 HB3 -0.08 -0.02 -0.00 -0.04 1.79 1.64 2uwfA1 LYS 49 HG2 -0.40 0.01 0.04 -0.04 1.46 1.08 2uwfA1 LYS 49 HG3 -0.27 -0.03 0.03 -0.04 1.46 1.16 2uwfA1 LYS 49 HD2 -0.62 -0.07 -0.04 -0.04 1.69 0.92 2uwfA1 LYS 49 HD3 -0.10 0.30 -0.02 -0.04 1.68 1.82 2uwfA1 LYS 49 HE2 -0.13 -0.02 -0.03 -0.04 2.99 2.77 2uwfA1 LYS 49 HE3 -0.27 0.02 -0.02 -0.04 2.99 2.68 2uwfA1 HIS 50 H 0.10 0.37 -0.27 -0.55 8.41 8.06 2uwfA1 HIS 50 HA -0.11 0.05 0.48 -0.75 4.63 4.29 2uwfA1 HIS 50 HB2 -0.10 0.02 0.12 -0.04 3.26 3.26 2uwfA1 HIS 50 HB3 -0.24 0.00 0.12 -0.04 3.20 3.04 2uwfA1 HIS 50 HD2 -1.07 -0.11 -0.33 -0.04 6.97 5.41 2uwfA1 HIS 50 HE1 -0.06 -0.07 -0.08 -0.04 7.75 7.50 2uwfA1 HIS 51 H 0.14 0.41 -0.08 -0.55 8.41 8.33 2uwfA1 HIS 51 HA 0.02 -0.03 0.90 -0.75 4.63 4.76 2uwfA1 HIS 51 HB2 -0.21 0.19 0.07 -0.04 3.26 3.27 2uwfA1 HIS 51 HB3 -0.52 -0.09 0.04 -0.04 3.20 2.59 2uwfA1 HIS 51 HD2 -0.42 -0.10 -0.04 -0.04 6.97 6.38 2uwfA1 HIS 51 HE1 0.10 0.40 -0.13 -0.04 7.75 8.07 2uwfA1 TYR 52 H 0.22 0.67 0.20 -0.55 8.29 8.83 2uwfA1 TYR 52 HA 0.16 0.17 1.10 -0.75 4.56 5.24 2uwfA1 TYR 52 HB2 0.09 0.05 0.18 -0.04 3.06 3.34 2uwfA1 TYR 52 HB3 0.11 0.03 0.27 -0.04 2.98 3.34 2uwfA1 TYR 52 HD2 0.15 0.04 -0.30 -0.04 7.15 7.00 2uwfA1 TYR 52 HE2 0.18 -0.04 -0.12 -0.04 6.85 6.83 2uwfA1 ASN 53 H 0.20 0.40 0.39 -0.55 8.53 8.98 2uwfA1 ASN 53 HA 0.11 0.33 0.87 -0.75 4.76 5.32 2uwfA1 ASN 53 HB2 0.06 0.05 0.30 -0.04 2.88 3.26 2uwfA1 ASN 53 HB3 0.07 0.07 0.05 -0.04 2.79 2.94 2uwfA1 ASN 53 HD21 0.09 0.05 0.05 -0.04 7.03 7.18 2uwfA1 ASN 53 HD22 0.06 0.06 0.00 -0.04 7.74 7.82 2uwfA1 SER 54 H 0.18 0.26 0.18 -0.55 8.46 8.54 2uwfA1 SER 54 HA 0.06 0.33 0.74 -0.75 4.49 4.87 2uwfA1 SER 54 HB2 0.06 0.07 -0.28 -0.04 3.95 3.77 2uwfA1 SER 54 HB3 0.09 -0.10 -0.36 -0.04 3.93 3.53 2uwfA1 LEU 55 H -0.00 0.36 0.18 -0.55 8.37 8.36 2uwfA1 LEU 55 HA -0.07 0.23 0.93 -0.75 4.35 4.69 2uwfA1 LEU 55 HB2 0.03 0.11 -0.23 -0.04 1.64 1.50 2uwfA1 LEU 55 HB3 -0.03 -0.04 -0.13 -0.04 1.64 1.39 2uwfA1 LEU 55 HG -0.10 -0.10 -0.04 -0.04 1.64 1.35 2uwfA1 LEU 55 HD13 -0.05 0.02 -0.07 -0.04 0.93 0.80 2uwfA1 LEU 55 HD23 0.11 0.01 -0.16 -0.04 0.89 0.81 2uwfA1 VAL 56 H -0.15 0.49 0.36 -0.55 8.24 8.39 2uwfA1 VAL 56 HA -0.10 0.30 0.66 -0.75 4.13 4.24 2uwfA1 VAL 56 HB -0.02 0.05 -0.18 -0.04 2.12 1.92 2uwfA1 VAL 56 HG13 -0.08 -0.00 -0.27 -0.04 0.97 0.57 2uwfA1 VAL 56 HG23 0.04 0.04 -0.19 -0.04 0.95 0.81 2uwfA1 ALA 57 H -0.12 0.25 0.16 -0.55 8.40 8.13 2uwfA1 ALA 57 HA -0.18 0.19 0.84 -0.75 4.34 4.43 2uwfA1 ALA 57 HB3 -0.10 -0.03 0.11 -0.04 1.41 1.35 2uwfA1 GLU 58 H -0.29 0.56 0.31 -0.55 8.60 8.63 2uwfA1 GLU 58 HA -0.67 0.09 0.32 -0.75 4.29 3.28 2uwfA1 GLU 58 HB2 -0.49 -0.01 -0.16 -0.04 2.09 1.38 2uwfA1 GLU 58 HB3 -0.15 -0.07 -0.09 -0.04 1.99 1.64 2uwfA1 GLU 58 HG2 0.06 0.01 -0.20 -0.04 2.34 2.18 2uwfA1 GLU 58 HG3 -0.69 0.03 -0.06 -0.04 2.34 1.58 2uwfA1 ASN 59 H -0.01 -0.08 -0.05 -0.55 8.53 7.85 2uwfA1 ASN 59 HA 0.22 0.25 0.76 -0.75 4.76 5.24 2uwfA1 ASN 59 HB2 0.11 -0.05 -0.03 -0.04 2.88 2.87 2uwfA1 ASN 59 HB3 0.14 0.03 -0.00 -0.04 2.79 2.92 2uwfA1 ASN 59 HD21 0.21 0.01 -0.16 -0.04 7.03 7.04 2uwfA1 ASN 59 HD22 0.14 -0.06 -0.19 -0.04 7.74 7.59 2uwfA1 ALA 60 H 0.02 -0.03 0.08 -0.55 8.40 7.92 2uwfA1 ALA 60 HA 0.08 0.10 0.26 -0.75 4.34 4.03 2uwfA1 ALA 60 HB3 0.03 -0.02 -0.01 -0.04 1.41 1.37 2uwfA1 MET 61 H 0.02 0.09 -0.41 -0.55 8.47 7.63 2uwfA1 MET 61 HA 0.16 0.23 0.92 -0.75 4.52 5.07 2uwfA1 MET 61 HB2 -0.44 0.18 -0.00 -0.04 2.15 1.84 2uwfA1 MET 61 HB3 -0.74 0.01 -0.00 -0.04 2.03 1.26 2uwfA1 MET 61 HG2 0.07 0.07 -0.15 -0.04 2.63 2.59 2uwfA1 MET 61 HG3 -0.08 -0.21 -0.22 -0.04 2.56 2.00 2uwfA1 MET 61 HE3 -0.18 -0.01 -0.03 -0.04 2.10 1.84 2uwfA1 LYS 62 H 0.10 0.19 -0.06 -0.55 8.42 8.10 2uwfA1 LYS 62 HA 0.10 0.10 0.69 -0.75 4.32 4.45 2uwfA1 LYS 62 HB2 0.24 0.08 0.15 -0.04 1.87 2.29 2uwfA1 LYS 62 HB3 0.14 0.00 0.04 -0.04 1.79 1.94 2uwfA1 LYS 62 HG2 0.15 0.20 0.15 -0.04 1.46 1.92 2uwfA1 LYS 62 HG3 0.15 -0.11 -0.03 -0.04 1.46 1.44 2uwfA1 LYS 62 HD2 0.29 -0.03 0.03 -0.04 1.69 1.93 2uwfA1 LYS 62 HD3 0.28 0.02 0.12 -0.04 1.68 2.06 2uwfA1 LYS 62 HE2 0.15 0.01 0.06 -0.04 2.99 3.17 2uwfA1 LYS 62 HE3 0.12 -0.04 -0.02 -0.04 2.99 3.01 2uwfA1 PRO 63 HA 0.33 0.10 0.34 -0.51 4.44 4.70 2uwfA1 PRO 63 HB2 -0.03 -0.03 0.22 -0.04 2.28 2.40 2uwfA1 PRO 63 HB3 -0.26 0.04 0.16 -0.04 2.02 1.92 2uwfA1 PRO 63 HG2 0.11 -0.09 0.01 -0.04 2.03 2.02 2uwfA1 PRO 63 HG3 0.14 0.29 0.01 -0.04 2.03 2.43 2uwfA1 PRO 63 HD2 0.20 0.22 0.21 -0.04 3.68 4.27 2uwfA1 PRO 63 HD3 0.20 0.12 0.23 -0.04 3.65 4.16 2uwfA1 VAL 64 H 0.10 0.49 -0.05 -0.55 8.24 8.23 2uwfA1 VAL 64 HA 0.10 0.07 0.23 -0.75 4.13 3.78 2uwfA1 VAL 64 HB 0.04 -0.11 -0.40 -0.04 2.12 1.61 2uwfA1 VAL 64 HG13 0.08 0.09 -0.04 -0.04 0.97 1.06 2uwfA1 VAL 64 HG23 0.05 -0.01 -0.21 -0.04 0.95 0.75 2uwfA1 SER 65 H 0.13 0.23 -0.42 -0.55 8.46 7.86 2uwfA1 SER 65 HA 0.08 0.01 0.51 -0.75 4.49 4.34 2uwfA1 SER 65 HB2 0.14 0.14 -0.08 -0.04 3.95 4.11 2uwfA1 SER 65 HB3 0.11 -0.06 -0.00 -0.04 3.93 3.93 2uwfA1 LEU 66 H 0.19 0.41 -0.13 -0.55 8.37 8.29 2uwfA1 LEU 66 HA 0.01 0.10 0.61 -0.75 4.35 4.33 2uwfA1 LEU 66 HB2 0.40 0.09 0.03 -0.04 1.64 2.11 2uwfA1 LEU 66 HB3 0.25 -0.07 -0.04 -0.04 1.64 1.74 2uwfA1 LEU 66 HG 0.31 0.02 -0.04 -0.04 1.64 1.89 2uwfA1 LEU 66 HD13 0.71 -0.00 -0.04 -0.04 0.93 1.55 2uwfA1 LEU 66 HD23 0.35 -0.01 0.03 -0.04 0.89 1.22 2uwfA1 GLN 67 H 0.10 0.54 -0.10 -0.55 8.47 8.47 2uwfA1 GLN 67 HA -0.57 0.43 0.92 -0.75 4.36 4.40 2uwfA1 GLN 67 HB2 -1.14 -0.03 -0.11 -0.04 2.15 0.83 2uwfA1 GLN 67 HB3 0.08 -0.03 0.16 -0.04 2.02 2.18 2uwfA1 GLN 67 HG2 -0.46 0.16 -0.03 -0.04 2.40 2.02 2uwfA1 GLN 67 HG3 -1.79 0.01 -0.00 -0.04 2.39 0.57 2uwfA1 GLN 67 HE21 0.48 0.01 0.00 -0.04 6.97 7.42 2uwfA1 GLN 67 HE22 0.57 0.06 0.02 -0.04 7.69 8.30 2uwfA1 PRO 68 HA 0.13 0.00 0.44 -0.51 4.44 4.50 2uwfA1 PRO 68 HB2 -0.00 -0.09 -0.03 -0.04 2.28 2.12 2uwfA1 PRO 68 HB3 0.03 0.16 0.13 -0.04 2.02 2.30 2uwfA1 PRO 68 HG2 -0.09 -0.07 -0.02 -0.04 2.03 1.82 2uwfA1 PRO 68 HG3 -0.03 0.01 -0.01 -0.04 2.03 1.96 2uwfA1 PRO 68 HD2 -0.20 0.39 -0.02 -0.04 3.68 3.81 2uwfA1 PRO 68 HD3 -0.06 0.19 -0.43 -0.04 3.65 3.31 2uwfA1 ARG 69 H -0.22 0.30 -0.09 -0.55 8.46 7.90 2uwfA1 ARG 69 HA -0.59 0.07 0.47 -0.75 4.34 3.54 2uwfA1 ARG 69 HB2 -0.34 -0.03 0.13 -0.04 1.90 1.61 2uwfA1 ARG 69 HB3 -0.19 -0.01 -0.07 -0.04 1.80 1.49 2uwfA1 ARG 69 HG2 -0.22 -0.03 -0.10 -0.04 1.67 1.28 2uwfA1 ARG 69 HG3 -0.41 0.01 -0.53 -0.04 1.67 0.70 2uwfA1 ARG 69 HD2 -0.21 -0.05 -0.03 -0.04 3.22 2.89 2uwfA1 ARG 69 HD3 -0.21 0.00 -0.08 -0.04 3.22 2.89 2uwfA1 GLU 70 H -1.60 0.10 0.06 -0.55 8.60 6.62 2uwfA1 GLU 70 HA -1.65 0.07 0.35 -0.75 4.29 2.31 2uwfA1 GLU 70 HB2 -2.25 0.01 0.08 -0.04 2.09 -0.12 2uwfA1 GLU 70 HB3 -0.84 -0.00 0.10 -0.04 1.99 1.21 2uwfA1 GLU 70 HG2 -0.44 0.02 -0.20 -0.04 2.34 1.68 2uwfA1 GLU 70 HG3 -0.72 -0.00 0.02 -0.04 2.34 1.60 2uwfA1 GLY 71 H -0.55 0.16 0.17 -0.55 8.43 7.67 2uwfA1 GLY 71 HA2 -0.06 0.02 0.30 -0.51 4.01 3.76 2uwfA1 GLY 71 HA3 -0.16 0.06 0.40 -0.51 4.01 3.81 2uwfA1 GLU 72 H -0.52 0.49 -0.46 -0.55 8.60 7.56 2uwfA1 GLU 72 HA -0.11 0.13 0.87 -0.75 4.29 4.42 2uwfA1 GLU 72 HB2 -0.19 0.01 -0.07 -0.04 2.09 1.80 2uwfA1 GLU 72 HB3 -0.28 -0.10 0.05 -0.04 1.99 1.62 2uwfA1 GLU 72 HG2 -0.13 0.02 -0.35 -0.04 2.34 1.84 2uwfA1 GLU 72 HG3 -0.08 0.02 -0.05 -0.04 2.34 2.19 2uwfA1 TRP 73 H 0.09 0.18 0.10 -0.55 7.97 7.79 2uwfA1 TRP 73 HA -0.40 0.53 1.02 -0.75 4.62 5.01 2uwfA1 TRP 73 HB2 -0.16 -0.05 0.12 -0.04 3.23 3.09 2uwfA1 TRP 73 HB3 -1.44 -0.01 -0.01 -0.04 3.23 1.72 2uwfA1 TRP 73 HD1 0.02 0.07 -0.14 -0.04 7.22 7.12 2uwfA1 TRP 73 HE1 0.05 -0.03 -0.04 -0.04 10.20 10.13 2uwfA1 TRP 73 HE3 -1.22 0.06 -0.06 -0.04 7.59 6.33 2uwfA1 TRP 73 HZ2 0.11 -0.02 -0.05 -0.04 7.44 7.44 2uwfA1 TRP 73 HZ3 -0.21 -0.01 -0.11 -0.04 7.13 6.75 2uwfA1 TRP 73 HH2 -0.14 0.05 0.07 -0.04 7.19 7.13 2uwfA1 ASN 74 H -0.27 0.71 0.29 -0.55 8.53 8.71 2uwfA1 ASN 74 HA -0.02 0.04 0.87 -0.75 4.76 4.90 2uwfA1 ASN 74 HB2 -0.04 -0.01 0.02 -0.04 2.88 2.80 2uwfA1 ASN 74 HB3 -0.03 0.45 0.41 -0.04 2.79 3.59 2uwfA1 ASN 74 HD21 0.07 -0.08 0.00 -0.04 7.03 6.99 2uwfA1 ASN 74 HD22 0.07 -0.00 0.07 -0.04 7.74 7.83 2uwfA1 TRP 75 H 0.18 0.24 0.08 -0.55 7.97 7.91 2uwfA1 TRP 75 HA 0.24 0.20 0.44 -0.75 4.62 4.75 2uwfA1 TRP 75 HB2 0.11 0.02 0.05 -0.04 3.23 3.37 2uwfA1 TRP 75 HB3 0.16 0.00 0.06 -0.04 3.23 3.41 2uwfA1 TRP 75 HD1 0.07 0.01 -0.01 -0.04 7.22 7.25 2uwfA1 TRP 75 HE1 -0.15 0.02 -0.03 -0.04 10.20 10.00 2uwfA1 TRP 75 HE3 0.28 -0.07 -0.03 -0.04 7.59 7.73 2uwfA1 TRP 75 HZ2 -1.41 0.00 -0.08 -0.04 7.44 5.92 2uwfA1 TRP 75 HZ3 0.14 0.01 -0.05 -0.04 7.13 7.19 2uwfA1 TRP 75 HH2 -0.71 0.02 -0.23 -0.04 7.19 6.22 2uwfA1 GLU 76 H 0.23 0.13 -0.10 -0.55 8.60 8.31 2uwfA1 GLU 76 HA 0.20 0.10 0.12 -0.75 4.29 3.96 2uwfA1 GLU 76 HB2 0.12 -0.01 0.11 -0.04 2.09 2.28 2uwfA1 GLU 76 HB3 0.11 0.04 0.02 -0.04 1.99 2.13 2uwfA1 GLU 76 HG2 0.11 0.06 0.04 -0.04 2.34 2.50 2uwfA1 GLU 76 HG3 0.18 -0.00 0.06 -0.04 2.34 2.53 2uwfA1 GLY 77 H 0.15 0.18 -0.08 -0.55 8.43 8.13 2uwfA1 GLY 77 HA2 0.08 0.05 0.45 -0.51 4.01 4.08 2uwfA1 GLY 77 HA3 0.09 0.04 0.34 -0.51 4.01 3.96 2uwfA1 ALA 78 H 0.21 0.23 -0.13 -0.55 8.40 8.16 2uwfA1 ALA 78 HA 0.05 -0.05 0.40 -0.75 4.34 3.99 2uwfA1 ALA 78 HB3 0.34 0.10 0.05 -0.04 1.41 1.86 2uwfA1 ASP 79 H 0.26 0.68 -0.09 -0.55 8.40 8.70 2uwfA1 ASP 79 HA 0.14 0.06 0.35 -0.75 4.63 4.43 2uwfA1 ASP 79 HB2 0.18 0.08 0.04 -0.04 2.71 2.96 2uwfA1 ASP 79 HB3 0.12 -0.02 -0.04 -0.04 2.70 2.73 2uwfA1 LYS 80 H 0.09 0.38 -0.24 -0.55 8.42 8.09 2uwfA1 LYS 80 HA 0.06 0.05 0.46 -0.75 4.32 4.13 2uwfA1 LYS 80 HB2 0.03 0.10 0.20 -0.04 1.87 2.16 2uwfA1 LYS 80 HB3 0.02 -0.01 0.02 -0.04 1.79 1.77 2uwfA1 LYS 80 HG2 0.06 -0.01 0.04 -0.04 1.46 1.50 2uwfA1 LYS 80 HG3 0.07 0.16 0.09 -0.04 1.46 1.75 2uwfA1 LYS 80 HD2 0.05 -0.08 -0.01 -0.04 1.69 1.61 2uwfA1 LYS 80 HD3 0.03 -0.01 -0.01 -0.04 1.68 1.65 2uwfA1 LYS 80 HE2 0.07 -0.03 -0.08 -0.04 2.99 2.90 2uwfA1 LYS 80 HE3 0.06 -0.04 -0.05 -0.04 2.99 2.91 2uwfA1 ILE 81 H -0.00 0.38 -0.15 -0.55 8.25 7.93 2uwfA1 ILE 81 HA -0.04 0.01 0.44 -0.75 4.18 3.84 2uwfA1 ILE 81 HB -0.07 0.14 0.13 -0.04 1.89 2.04 2uwfA1 ILE 81 HG12 -0.16 -0.01 -0.15 -0.04 1.49 1.12 2uwfA1 ILE 81 HG13 -0.08 0.09 0.02 -0.04 1.21 1.19 2uwfA1 ILE 81 HG23 -0.10 -0.01 -0.21 -0.04 0.93 0.58 2uwfA1 ILE 81 HD13 -0.12 -0.05 -0.05 -0.04 0.88 0.62 2uwfA1 VAL 82 H -0.05 0.56 -0.08 -0.55 8.24 8.13 2uwfA1 VAL 82 HA -0.05 0.05 0.35 -0.75 4.13 3.72 2uwfA1 VAL 82 HB -0.01 0.08 0.14 -0.04 2.12 2.29 2uwfA1 VAL 82 HG13 0.01 0.01 -0.13 -0.04 0.97 0.81 2uwfA1 VAL 82 HG23 -0.40 0.04 -0.04 -0.04 0.95 0.50 2uwfA1 GLU 83 H 0.05 0.62 -0.12 -0.55 8.60 8.60 2uwfA1 GLU 83 HA 0.02 0.03 0.44 -0.75 4.29 4.03 2uwfA1 GLU 83 HB2 0.07 0.06 0.16 -0.04 2.09 2.33 2uwfA1 GLU 83 HB3 0.04 -0.05 0.04 -0.04 1.99 1.97 2uwfA1 GLU 83 HG2 0.03 -0.03 0.02 -0.04 2.34 2.32 2uwfA1 GLU 83 HG3 0.05 0.23 0.08 -0.04 2.34 2.66 2uwfA1 PHE 84 H 0.20 0.46 -0.19 -0.55 8.34 8.26 2uwfA1 PHE 84 HA 0.06 0.02 0.51 -0.75 4.62 4.46 2uwfA1 PHE 84 HB2 0.02 0.04 0.13 -0.04 3.15 3.30 2uwfA1 PHE 84 HB3 0.01 0.08 0.10 -0.04 3.06 3.21 2uwfA1 PHE 84 HD2 0.06 0.03 -0.14 -0.04 7.28 7.19 2uwfA1 PHE 84 HE2 -0.07 0.01 -0.08 -0.04 7.38 7.21 2uwfA1 PHE 84 HZ -0.22 0.05 0.00 -0.04 7.32 7.10 2uwfA1 ALA 85 H 0.15 0.53 -0.13 -0.55 8.40 8.40 2uwfA1 ALA 85 HA 0.10 0.00 0.43 -0.75 4.34 4.12 2uwfA1 ALA 85 HB3 0.03 0.08 -0.02 -0.04 1.41 1.46 2uwfA1 ARG 86 H -0.00 0.58 -0.08 -0.55 8.46 8.40 2uwfA1 ARG 86 HA -0.03 0.07 0.52 -0.75 4.34 4.14 2uwfA1 ARG 86 HB2 -0.04 0.08 0.18 -0.04 1.90 2.08 2uwfA1 ARG 86 HB3 -0.05 -0.05 -0.01 -0.04 1.80 1.65 2uwfA1 ARG 86 HG2 -0.01 -0.01 0.04 -0.04 1.67 1.65 2uwfA1 ARG 86 HG3 -0.01 0.11 0.07 -0.04 1.67 1.81 2uwfA1 ARG 86 HD2 0.00 -0.04 -0.07 -0.04 3.22 3.07 2uwfA1 ARG 86 HD3 -0.01 -0.04 -0.01 -0.04 3.22 3.11 2uwfA1 LYS 87 H -0.17 0.39 -0.24 -0.55 8.42 7.84 2uwfA1 LYS 87 HA -0.25 -0.00 0.27 -0.75 4.32 3.59 2uwfA1 LYS 87 HB2 -0.27 0.03 0.15 -0.04 1.87 1.73 2uwfA1 LYS 87 HB3 -0.73 0.06 0.15 -0.04 1.79 1.23 2uwfA1 LYS 87 HG2 -0.42 -0.08 -0.00 -0.04 1.46 0.92 2uwfA1 LYS 87 HG3 -1.08 0.02 -0.14 -0.04 1.46 0.22 2uwfA1 LYS 87 HD2 -0.25 0.05 0.12 -0.04 1.69 1.56 2uwfA1 LYS 87 HD3 -0.19 -0.02 0.04 -0.04 1.68 1.47 2uwfA1 LYS 87 HE2 -0.12 -0.04 0.01 -0.04 2.99 2.79 2uwfA1 LYS 87 HE3 -0.16 0.00 0.01 -0.04 2.99 2.79 2uwfA1 HIS 88 H -0.26 0.35 -0.32 -0.55 8.41 7.64 2uwfA1 HIS 88 HA -0.15 0.13 0.75 -0.75 4.63 4.60 2uwfA1 HIS 88 HB2 -0.38 0.10 0.05 -0.04 3.26 2.99 2uwfA1 HIS 88 HB3 -0.21 -0.01 0.11 -0.04 3.20 3.04 2uwfA1 HIS 88 HD2 -0.20 0.03 -0.06 -0.04 6.97 6.71 2uwfA1 HIS 88 HE1 -0.51 -0.07 -0.02 -0.04 7.75 7.11 2uwfA1 ASN 89 H -0.07 0.29 -0.34 -0.55 8.53 7.86 2uwfA1 ASN 89 HA -0.02 0.05 0.31 -0.75 4.76 4.35 2uwfA1 ASN 89 HB2 -0.03 -0.04 -0.12 -0.04 2.88 2.66 2uwfA1 ASN 89 HB3 -0.00 0.14 0.09 -0.04 2.79 2.98 2uwfA1 ASN 89 HD21 0.00 -0.06 0.04 -0.04 7.03 6.97 2uwfA1 ASN 89 HD22 -0.00 -0.00 0.06 -0.04 7.74 7.76 2uwfA1 MET 90 H 0.02 0.47 0.07 -0.55 8.47 8.48 2uwfA1 MET 90 HA 0.05 0.27 0.84 -0.75 4.52 4.92 2uwfA1 MET 90 HB2 0.08 -0.13 -0.05 -0.04 2.15 2.01 2uwfA1 MET 90 HB3 0.08 -0.05 -0.28 -0.04 2.03 1.74 2uwfA1 MET 90 HG2 0.10 0.06 -0.25 -0.04 2.63 2.50 2uwfA1 MET 90 HG3 0.07 0.11 -0.56 -0.04 2.56 2.15 2uwfA1 MET 90 HE3 0.17 0.01 -0.28 -0.04 2.10 1.96 2uwfA1 GLU 91 H 0.04 0.51 0.31 -0.55 8.60 8.91 2uwfA1 GLU 91 HA 0.00 0.13 0.65 -0.75 4.29 4.33 2uwfA1 GLU 91 HB2 0.02 -0.12 0.09 -0.04 2.09 2.04 2uwfA1 GLU 91 HB3 -0.00 -0.06 -0.00 -0.04 1.99 1.88 2uwfA1 GLU 91 HG2 0.03 0.08 0.11 -0.04 2.34 2.52 2uwfA1 GLU 91 HG3 0.03 -0.04 0.04 -0.04 2.34 2.33 2uwfA1 LEU 92 H -0.04 0.23 0.20 -0.55 8.37 8.22 2uwfA1 LEU 92 HA -0.05 0.20 0.91 -0.75 4.35 4.66 2uwfA1 LEU 92 HB2 -0.05 0.06 -0.15 -0.04 1.64 1.46 2uwfA1 LEU 92 HB3 -0.09 0.24 0.16 -0.04 1.64 1.91 2uwfA1 LEU 92 HG -0.14 -0.01 -0.36 -0.04 1.64 1.09 2uwfA1 LEU 92 HD13 -0.09 -0.01 -0.20 -0.04 0.93 0.59 2uwfA1 LEU 92 HD23 -0.15 -0.01 -0.19 -0.04 0.89 0.50 2uwfA1 ARG 93 H -0.07 0.70 0.35 -0.55 8.46 8.89 2uwfA1 ARG 93 HA -0.14 0.16 0.99 -0.75 4.34 4.60 2uwfA1 ARG 93 HB2 -0.04 -0.10 -0.09 -0.04 1.90 1.64 2uwfA1 ARG 93 HB3 -0.07 0.01 -0.06 -0.04 1.80 1.64 2uwfA1 ARG 93 HG2 -0.08 0.02 -0.17 -0.04 1.67 1.40 2uwfA1 ARG 93 HG3 -0.05 0.05 -0.13 -0.04 1.67 1.50 2uwfA1 ARG 93 HD2 -0.08 0.01 -0.24 -0.04 3.22 2.87 2uwfA1 ARG 93 HD3 -0.04 -0.02 -0.21 -0.04 3.22 2.90 2uwfA1 PHE 94 H -0.12 0.71 0.32 -0.55 8.34 8.70 2uwfA1 PHE 94 HA -0.12 0.09 0.85 -0.75 4.62 4.68 2uwfA1 PHE 94 HB2 -0.90 0.08 -0.04 -0.04 3.15 2.25 2uwfA1 PHE 94 HB3 -0.33 -0.09 0.19 -0.04 3.06 2.80 2uwfA1 PHE 94 HD2 0.08 -0.05 -0.25 -0.04 7.28 7.01 2uwfA1 PHE 94 HE2 0.41 -0.00 -0.36 -0.04 7.38 7.39 2uwfA1 PHE 94 HZ 0.43 0.08 -0.12 -0.04 7.32 7.68 2uwfA1 HIS 95 H -0.24 0.19 0.06 -0.55 8.41 7.88 2uwfA1 HIS 95 HA -0.00 0.08 0.74 -0.75 4.63 4.69 2uwfA1 HIS 95 HB2 0.03 -0.01 -0.13 -0.04 3.26 3.11 2uwfA1 HIS 95 HB3 0.00 0.05 0.07 -0.04 3.20 3.27 2uwfA1 HIS 95 HD2 0.17 0.10 -0.16 -0.04 6.97 7.04 2uwfA1 HIS 95 HE1 -0.83 -0.09 -0.11 -0.04 7.75 6.68 2uwfA1 THR 96 H -0.10 0.35 -0.07 -0.55 8.28 7.91 2uwfA1 THR 96 HA 0.21 0.20 0.22 -0.75 4.39 4.27 2uwfA1 THR 96 HB -0.53 -0.07 -0.01 -0.04 4.32 3.67 2uwfA1 THR 96 HG23 -0.28 -0.01 -0.25 -0.04 1.22 0.65 2uwfA1 LEU 97 H 0.26 0.57 0.18 -0.55 8.37 8.83 2uwfA1 LEU 97 HA 0.46 0.12 0.41 -0.75 4.35 4.58 2uwfA1 LEU 97 HB2 0.06 0.14 0.30 -0.04 1.64 2.10 2uwfA1 LEU 97 HB3 0.07 -0.04 0.04 -0.04 1.64 1.68 2uwfA1 LEU 97 HG 0.29 -0.04 -0.06 -0.04 1.64 1.78 2uwfA1 LEU 97 HD13 -0.23 -0.01 -0.04 -0.04 0.93 0.61 2uwfA1 LEU 97 HD23 0.07 -0.00 -0.04 -0.04 0.89 0.87 2uwfA1 VAL 98 H 0.02 0.18 -0.03 -0.55 8.24 7.86 2uwfA1 VAL 98 HA -0.12 0.14 0.88 -0.75 4.13 4.28 2uwfA1 VAL 98 HB -0.21 0.08 0.22 -0.04 2.12 2.16 2uwfA1 VAL 98 HG13 -0.84 -0.04 -0.14 -0.04 0.97 -0.09 2uwfA1 VAL 98 HG23 -0.26 0.00 -0.19 -0.04 0.95 0.46 2uwfA1 TRP 99 H 0.22 0.36 0.12 -0.55 7.97 8.13 2uwfA1 TRP 99 HA 0.04 0.12 0.75 -0.75 4.62 4.78 2uwfA1 TRP 99 HB2 -0.05 0.00 -0.40 -0.04 3.23 2.74 2uwfA1 TRP 99 HB3 -0.03 0.24 -0.06 -0.04 3.23 3.34 2uwfA1 TRP 99 HD1 0.01 0.10 0.16 -0.04 7.22 7.46 2uwfA1 TRP 99 HE1 -0.08 0.00 -0.07 -0.04 10.20 10.01 2uwfA1 TRP 99 HE3 -0.10 0.08 -0.12 -0.04 7.59 7.41 2uwfA1 TRP 99 HZ2 -0.09 -0.02 -0.07 -0.04 7.44 7.22 2uwfA1 TRP 99 HZ3 0.06 0.04 -0.10 -0.04 7.13 7.10 2uwfA1 TRP 99 HH2 -0.04 0.01 -0.08 -0.04 7.19 7.04 2uwfA1 HIS 100 H 0.47 0.24 0.15 -0.55 8.41 8.72 2uwfA1 HIS 100 HA 0.25 0.05 0.55 -0.75 4.63 4.73 2uwfA1 HIS 100 HB2 0.01 -0.08 0.12 -0.04 3.26 3.27 2uwfA1 HIS 100 HB3 0.20 -0.00 0.13 -0.04 3.20 3.48 2uwfA1 HIS 100 HD2 -0.10 -0.01 -0.20 -0.04 6.97 6.62 2uwfA1 HIS 100 HE1 0.42 0.00 0.03 -0.04 7.75 8.16 2uwfA1 SER 101 H -1.69 0.03 -0.19 -0.55 8.46 6.06 2uwfA1 SER 101 HA -0.53 0.15 0.76 -0.75 4.49 4.11 2uwfA1 SER 101 HB2 -1.37 -0.02 -0.01 -0.04 3.95 2.50 2uwfA1 SER 101 HB3 -3.11 0.02 -0.05 -0.04 3.93 0.75 2uwfA1 GLN 102 H -0.33 0.14 0.10 -0.55 8.47 7.83 2uwfA1 GLN 102 HA -0.11 0.03 0.27 -0.75 4.36 3.81 2uwfA1 GLN 102 HB2 -0.35 0.03 -0.49 -0.04 2.15 1.30 2uwfA1 GLN 102 HB3 0.06 -0.03 0.16 -0.04 2.02 2.17 2uwfA1 GLN 102 HG2 0.08 0.03 -0.04 -0.04 2.40 2.44 2uwfA1 GLN 102 HG3 0.01 0.03 0.01 -0.04 2.39 2.40 2uwfA1 GLN 102 HE21 -0.07 0.01 0.00 -0.04 6.97 6.87 2uwfA1 GLN 102 HE22 -0.01 0.03 -0.01 -0.04 7.69 7.67 2uwfA1 VAL 103 H -0.11 0.11 -0.28 -0.55 8.24 7.41 2uwfA1 VAL 103 HA -0.05 0.14 0.77 -0.75 4.13 4.23 2uwfA1 VAL 103 HB 0.05 0.18 -0.14 -0.04 2.12 2.17 2uwfA1 VAL 103 HG13 0.06 -0.05 -0.17 -0.04 0.97 0.77 2uwfA1 VAL 103 HG23 -0.34 0.02 -0.05 -0.04 0.95 0.54 2uwfA1 PRO 104 HA 0.01 0.03 0.42 -0.51 4.44 4.39 2uwfA1 PRO 104 HB2 -0.41 -0.15 -0.01 -0.04 2.28 1.67 2uwfA1 PRO 104 HB3 0.22 0.24 0.16 -0.04 2.02 2.60 2uwfA1 PRO 104 HG2 0.28 0.30 -0.00 -0.04 2.03 2.56 2uwfA1 PRO 104 HG3 0.15 0.05 -0.02 -0.04 2.03 2.17 2uwfA1 PRO 104 HD2 -0.02 0.10 0.07 -0.04 3.68 3.79 2uwfA1 PRO 104 HD3 0.03 0.07 -0.10 -0.04 3.65 3.61 2uwfA1 GLU 105 H 0.01 0.17 0.21 -0.55 8.60 8.44 2uwfA1 GLU 105 HA -0.02 0.12 0.44 -0.75 4.29 4.08 2uwfA1 GLU 105 HB2 0.03 0.02 0.13 -0.04 2.09 2.23 2uwfA1 GLU 105 HB3 0.04 0.00 0.05 -0.04 1.99 2.04 2uwfA1 GLU 105 HG2 0.02 0.02 0.07 -0.04 2.34 2.41 2uwfA1 GLU 105 HG3 0.02 0.01 0.04 -0.04 2.34 2.37 2uwfA1 TRP 106 H 0.07 0.12 -0.23 -0.55 7.97 7.39 2uwfA1 TRP 106 HA -0.11 0.07 0.34 -0.75 4.62 4.16 2uwfA1 TRP 106 HB2 -0.18 0.04 0.08 -0.04 3.23 3.13 2uwfA1 TRP 106 HB3 -0.14 0.01 0.11 -0.04 3.23 3.17 2uwfA1 TRP 106 HD1 -0.15 0.16 -0.02 -0.04 7.22 7.17 2uwfA1 TRP 106 HE1 -0.26 0.52 -0.30 -0.04 10.20 10.12 2uwfA1 TRP 106 HE3 -0.34 0.03 -0.28 -0.04 7.59 6.96 2uwfA1 TRP 106 HZ2 -0.60 0.11 -0.11 -0.04 7.44 6.80 2uwfA1 TRP 106 HZ3 -0.38 0.03 -0.05 -0.04 7.13 6.69 2uwfA1 TRP 106 HH2 -0.49 0.04 -0.02 -0.04 7.19 6.67 2uwfA1 PHE 107 H -1.04 0.27 -0.45 -0.55 8.34 6.58 2uwfA1 PHE 107 HA -1.03 0.06 0.38 -0.75 4.62 3.28 2uwfA1 PHE 107 HB2 -1.81 0.13 0.01 -0.04 3.15 1.43 2uwfA1 PHE 107 HB3 -1.63 -0.05 -0.09 -0.04 3.06 1.24 2uwfA1 PHE 107 HD2 -0.83 0.07 -0.02 -0.04 7.28 6.46 2uwfA1 PHE 107 HE2 -0.27 0.08 -0.13 -0.04 7.38 7.01 2uwfA1 PHE 107 HZ -0.31 0.04 0.01 -0.04 7.32 7.02 2uwfA1 PHE 108 H -0.40 0.51 -0.32 -0.55 8.34 7.58 2uwfA1 PHE 108 HA -0.17 0.18 0.57 -0.75 4.62 4.45 2uwfA1 PHE 108 HB2 -0.18 0.05 0.11 -0.04 3.15 3.09 2uwfA1 PHE 108 HB3 -0.20 -0.13 0.16 -0.04 3.06 2.85 2uwfA1 PHE 108 HD2 -0.36 0.05 -0.10 -0.04 7.28 6.83 2uwfA1 PHE 108 HE2 -1.25 0.04 -0.13 -0.04 7.38 6.00 2uwfA1 PHE 108 HZ -1.81 0.01 -0.07 -0.04 7.32 5.41 2uwfA1 ILE 109 H -0.02 0.44 -0.29 -0.55 8.25 7.83 2uwfA1 ILE 109 HA 0.03 0.14 0.94 -0.75 4.18 4.54 2uwfA1 ILE 109 HB 0.05 0.08 0.08 -0.04 1.89 2.06 2uwfA1 ILE 109 HG12 0.03 0.14 -0.14 -0.04 1.49 1.48 2uwfA1 ILE 109 HG13 0.05 -0.04 -0.14 -0.04 1.21 1.04 2uwfA1 ILE 109 HG23 0.03 0.05 -0.28 -0.04 0.93 0.68 2uwfA1 ILE 109 HD13 0.03 0.00 -0.22 -0.04 0.88 0.66 2uwfA1 ASP 110 H 0.02 0.46 0.19 -0.55 8.40 8.53 2uwfA1 ASP 110 HA 0.03 0.21 0.49 -0.75 4.63 4.61 2uwfA1 ASP 110 HB2 0.02 -0.08 0.17 -0.04 2.71 2.78 2uwfA1 ASP 110 HB3 0.02 0.09 0.06 -0.04 2.70 2.83 2uwfA1 GLU 111 H 0.02 0.15 0.16 -0.55 8.60 8.38 2uwfA1 GLU 111 HA 0.01 0.18 0.31 -0.75 4.29 4.04 2uwfA1 GLU 111 HB2 0.01 -0.03 0.08 -0.04 2.09 2.11 2uwfA1 GLU 111 HB3 0.01 0.05 0.12 -0.04 1.99 2.13 2uwfA1 GLU 111 HG2 0.02 0.07 0.03 -0.04 2.34 2.42 2uwfA1 GLU 111 HG3 0.02 -0.04 0.08 -0.04 2.34 2.37 2uwfA1 ASN 112 H 0.01 -0.05 -0.33 -0.55 8.53 7.62 2uwfA1 ASN 112 HA 0.00 0.25 0.79 -0.75 4.76 5.05 2uwfA1 ASN 112 HB2 0.01 -0.09 0.01 -0.04 2.88 2.76 2uwfA1 ASN 112 HB3 0.00 0.06 0.11 -0.04 2.79 2.92 2uwfA1 ASN 112 HD21 0.01 0.02 -0.02 -0.04 7.03 7.00 2uwfA1 ASN 112 HD22 0.01 -0.01 -0.01 -0.04 7.74 7.68 2uwfA1 GLY 113 H 0.01 0.53 -0.33 -0.55 8.43 8.10 2uwfA1 GLY 113 HA2 0.01 0.08 0.23 -0.51 4.01 3.81 2uwfA1 GLY 113 HA3 0.00 0.13 0.59 -0.51 4.01 4.22 2uwfA1 ASN 114 H 0.01 -0.09 -0.26 -0.55 8.53 7.65 2uwfA1 ASN 114 HA 0.01 0.20 0.62 -0.75 4.76 4.83 2uwfA1 ASN 114 HB2 0.01 -0.10 -0.05 -0.04 2.88 2.70 2uwfA1 ASN 114 HB3 0.00 0.05 -0.03 -0.04 2.79 2.77 2uwfA1 ASN 114 HD21 0.00 0.07 -0.07 -0.04 7.03 6.99 2uwfA1 ASN 114 HD22 0.01 -0.08 -0.07 -0.04 7.74 7.56 2uwfA1 ARG 115 H 0.00 0.16 0.15 -0.55 8.46 8.22 2uwfA1 ARG 115 HA 0.02 0.22 0.67 -0.75 4.34 4.50 2uwfA1 ARG 115 HB2 -0.01 -0.05 0.20 -0.04 1.90 2.01 2uwfA1 ARG 115 HB3 -0.01 -0.03 0.06 -0.04 1.80 1.77 2uwfA1 ARG 115 HG2 0.00 0.03 0.07 -0.04 1.67 1.72 2uwfA1 ARG 115 HG3 -0.00 0.02 0.07 -0.04 1.67 1.71 2uwfA1 ARG 115 HD2 -0.00 -0.02 0.03 -0.04 3.22 3.19 2uwfA1 ARG 115 HD3 0.01 0.05 -0.03 -0.04 3.22 3.22 2uwfA1 MET 116 H 0.02 0.83 0.42 -0.55 8.47 9.19 2uwfA1 MET 116 HA 0.00 -0.01 0.25 -0.75 4.52 4.00 2uwfA1 MET 116 HB2 0.02 0.04 0.10 -0.04 2.15 2.26 2uwfA1 MET 116 HB3 0.01 0.01 -0.00 -0.04 2.03 2.01 2uwfA1 MET 116 HG2 0.02 -0.10 -0.05 -0.04 2.63 2.46 2uwfA1 MET 116 HG3 0.03 0.04 -0.27 -0.04 2.56 2.33 2uwfA1 MET 116 HE3 0.03 0.01 -0.24 -0.04 2.10 1.86 2uwfA1 VAL 117 H -0.04 0.09 -0.16 -0.55 8.24 7.58 2uwfA1 VAL 117 HA -0.06 0.14 0.40 -0.75 4.13 3.85 2uwfA1 VAL 117 HB -0.08 0.04 0.06 -0.04 2.12 2.10 2uwfA1 VAL 117 HG13 -0.19 -0.00 0.05 -0.04 0.97 0.79 2uwfA1 VAL 117 HG23 -0.06 -0.01 -0.07 -0.04 0.95 0.77 2uwfA1 ASP 118 H -0.02 0.31 -0.39 -0.55 8.40 7.75 2uwfA1 ASP 118 HA -0.02 0.14 0.50 -0.75 4.63 4.50 2uwfA1 ASP 118 HB2 -0.01 0.08 0.08 -0.04 2.71 2.81 2uwfA1 ASP 118 HB3 -0.01 -0.03 0.10 -0.04 2.70 2.72 2uwfA1 GLU 119 H -0.01 0.34 -0.34 -0.55 8.60 8.04 2uwfA1 GLU 119 HA -0.00 -0.07 0.37 -0.75 4.29 3.84 2uwfA1 GLU 119 HB2 -0.00 -0.03 0.02 -0.04 2.09 2.04 2uwfA1 GLU 119 HB3 -0.00 0.15 0.02 -0.04 1.99 2.11 2uwfA1 GLU 119 HG2 0.00 -0.02 -0.26 -0.04 2.34 2.02 2uwfA1 GLU 119 HG3 0.00 0.03 -0.28 -0.04 2.34 2.06 2uwfA1 THR 120 H -0.00 -0.04 0.21 -0.55 8.28 7.89 2uwfA1 THR 120 HA -0.00 0.27 0.75 -0.75 4.39 4.65 2uwfA1 THR 120 HB -0.00 -0.00 0.05 -0.04 4.32 4.33 2uwfA1 THR 120 HG23 -0.00 0.05 -0.03 -0.04 1.22 1.20 2uwfA1 ASP 121 H 0.00 -0.03 0.12 -0.55 8.40 7.94 2uwfA1 ASP 121 HA 0.00 0.26 0.62 -0.75 4.63 4.76 2uwfA1 ASP 121 HB2 0.00 0.09 0.12 -0.04 2.71 2.89 2uwfA1 ASP 121 HB3 0.00 0.01 0.15 -0.04 2.70 2.82 2uwfA1 PRO 122 HA 0.00 0.14 0.37 -0.51 4.44 4.44 2uwfA1 PRO 122 HB2 0.00 -0.01 0.07 -0.04 2.28 2.30 2uwfA1 PRO 122 HB3 0.00 0.08 0.09 -0.04 2.02 2.15 2uwfA1 PRO 122 HG2 0.00 0.05 0.12 -0.04 2.03 2.16 2uwfA1 PRO 122 HG3 0.00 0.14 0.13 -0.04 2.03 2.26 2uwfA1 PRO 122 HD2 0.00 0.04 0.24 -0.04 3.68 3.93 2uwfA1 PRO 122 HD3 0.00 0.29 0.35 -0.04 3.65 4.25 2uwfA1 GLU 123 H 0.01 0.14 -0.08 -0.55 8.60 8.12 2uwfA1 GLU 123 HA 0.01 0.13 0.47 -0.75 4.29 4.14 2uwfA1 GLU 123 HB2 0.01 -0.02 0.05 -0.04 2.09 2.08 2uwfA1 GLU 123 HB3 0.01 0.06 0.06 -0.04 1.99 2.07 2uwfA1 GLU 123 HG2 0.01 -0.06 0.08 -0.04 2.34 2.33 2uwfA1 GLU 123 HG3 0.01 0.04 0.04 -0.04 2.34 2.39 2uwfA1 LYS 124 H 0.01 0.11 -0.22 -0.55 8.42 7.76 2uwfA1 LYS 124 HA 0.01 0.06 0.53 -0.75 4.32 4.18 2uwfA1 LYS 124 HB2 0.01 0.03 0.09 -0.04 1.87 1.96 2uwfA1 LYS 124 HB3 0.01 0.02 -0.05 -0.04 1.79 1.73 2uwfA1 LYS 124 HG2 0.01 0.00 0.03 -0.04 1.46 1.46 2uwfA1 LYS 124 HG3 0.01 -0.01 -0.01 -0.04 1.46 1.40 2uwfA1 LYS 124 HD2 0.01 -0.03 0.03 -0.04 1.69 1.65 2uwfA1 LYS 124 HD3 0.01 0.02 0.00 -0.04 1.68 1.67 2uwfA1 LYS 124 HE2 0.01 0.04 0.00 -0.04 2.99 3.00 2uwfA1 LYS 124 HE3 0.01 -0.05 0.00 -0.04 2.99 2.90 2uwfA1 ARG 125 H 0.01 0.39 -0.18 -0.55 8.46 8.12 2uwfA1 ARG 125 HA 0.01 0.06 0.52 -0.75 4.34 4.18 2uwfA1 ARG 125 HB2 0.00 0.04 0.09 -0.04 1.90 1.99 2uwfA1 ARG 125 HB3 -0.00 0.06 -0.01 -0.04 1.80 1.80 2uwfA1 ARG 125 HG2 -0.00 -0.03 -0.15 -0.04 1.67 1.45 2uwfA1 ARG 125 HG3 -0.00 0.01 -0.43 -0.04 1.67 1.21 2uwfA1 ARG 125 HD2 -0.01 0.03 -0.13 -0.04 3.22 3.07 2uwfA1 ARG 125 HD3 -0.01 -0.05 -0.05 -0.04 3.22 3.07 2uwfA1 LYS 126 H 0.01 0.50 -0.11 -0.55 8.42 8.26 2uwfA1 LYS 126 HA 0.02 0.09 0.51 -0.75 4.32 4.18 2uwfA1 LYS 126 HB2 0.01 0.08 0.16 -0.04 1.87 2.08 2uwfA1 LYS 126 HB3 0.02 0.04 0.09 -0.04 1.79 1.90 2uwfA1 LYS 126 HG2 0.02 -0.05 0.08 -0.04 1.46 1.48 2uwfA1 LYS 126 HG3 0.02 0.02 0.04 -0.04 1.46 1.49 2uwfA1 LYS 126 HD2 0.02 -0.01 0.00 -0.04 1.69 1.66 2uwfA1 LYS 126 HD3 0.02 -0.01 -0.04 -0.04 1.68 1.61 2uwfA1 LYS 126 HE2 0.02 -0.01 -0.00 -0.04 2.99 2.96 2uwfA1 LYS 126 HE3 0.02 0.01 -0.00 -0.04 2.99 2.97 2uwfA1 ALA 127 H 0.02 0.44 -0.10 -0.55 8.40 8.21 2uwfA1 ALA 127 HA 0.03 0.03 0.50 -0.75 4.34 4.14 2uwfA1 ALA 127 HB3 0.02 0.02 0.12 -0.04 1.41 1.53 2uwfA1 ASN 128 H 0.02 0.54 -0.26 -0.55 8.53 8.28 2uwfA1 ASN 128 HA 0.04 -0.04 0.42 -0.75 4.76 4.42 2uwfA1 ASN 128 HB2 0.02 0.21 0.20 -0.04 2.88 3.26 2uwfA1 ASN 128 HB3 0.03 -0.06 0.02 -0.04 2.79 2.73 2uwfA1 ASN 128 HD21 0.01 -0.14 -0.06 -0.04 7.03 6.79 2uwfA1 ASN 128 HD22 0.01 0.12 0.02 -0.04 7.74 7.85 2uwfA1 LYS 129 H 0.04 0.49 -0.16 -0.55 8.42 8.24 2uwfA1 LYS 129 HA 0.08 -0.01 0.38 -0.75 4.32 4.02 2uwfA1 LYS 129 HB2 0.04 0.27 0.18 -0.04 1.87 2.32 2uwfA1 LYS 129 HB3 0.04 0.07 0.20 -0.04 1.79 2.07 2uwfA1 LYS 129 HG2 0.07 -0.05 -0.26 -0.04 1.46 1.19 2uwfA1 LYS 129 HG3 0.09 -0.11 0.05 -0.04 1.46 1.44 2uwfA1 LYS 129 HD2 0.03 0.07 0.08 -0.04 1.69 1.83 2uwfA1 LYS 129 HD3 0.03 -0.01 0.03 -0.04 1.68 1.69 2uwfA1 LYS 129 HE2 0.05 -0.02 -0.02 -0.04 2.99 2.96 2uwfA1 LYS 129 HE3 0.07 -0.06 0.03 -0.04 2.99 2.99 2uwfA1 GLN 130 H 0.05 0.48 -0.17 -0.55 8.47 8.29 2uwfA1 GLN 130 HA 0.08 0.04 0.62 -0.75 4.36 4.35 2uwfA1 GLN 130 HB2 0.05 0.08 0.18 -0.04 2.15 2.42 2uwfA1 GLN 130 HB3 0.05 -0.04 0.04 -0.04 2.02 2.03 2uwfA1 GLN 130 HG2 0.04 0.13 0.05 -0.04 2.40 2.58 2uwfA1 GLN 130 HG3 0.04 -0.03 0.01 -0.04 2.39 2.37 2uwfA1 GLN 130 HE21 0.06 -0.00 0.00 -0.04 6.97 6.99 2uwfA1 GLN 130 HE22 0.06 -0.01 0.04 -0.04 7.69 7.74 2uwfA1 LEU 131 H 0.06 0.63 -0.01 -0.55 8.37 8.50 2uwfA1 LEU 131 HA 0.08 0.01 0.50 -0.75 4.35 4.18 2uwfA1 LEU 131 HB2 0.05 -0.03 0.13 -0.04 1.64 1.75 2uwfA1 LEU 131 HB3 0.06 0.08 0.17 -0.04 1.64 1.91 2uwfA1 LEU 131 HG 0.07 0.08 -0.29 -0.04 1.64 1.46 2uwfA1 LEU 131 HD13 0.07 -0.02 0.06 -0.04 0.93 1.00 2uwfA1 LEU 131 HD23 0.04 -0.01 0.00 -0.04 0.89 0.89 2uwfA1 LEU 132 H 0.10 0.60 -0.17 -0.55 8.37 8.34 2uwfA1 LEU 132 HA 0.12 0.10 0.52 -0.75 4.35 4.33 2uwfA1 LEU 132 HB2 0.09 0.07 0.10 -0.04 1.64 1.85 2uwfA1 LEU 132 HB3 0.15 0.05 0.13 -0.04 1.64 1.93 2uwfA1 LEU 132 HG 0.40 -0.05 -0.24 -0.04 1.64 1.70 2uwfA1 LEU 132 HD13 -0.21 0.02 -0.03 -0.04 0.93 0.67 2uwfA1 LEU 132 HD23 0.08 -0.03 -0.10 -0.04 0.89 0.79 2uwfA1 LEU 133 H 0.17 0.60 -0.05 -0.55 8.37 8.54 2uwfA1 LEU 133 HA 0.25 -0.04 0.46 -0.75 4.35 4.26 2uwfA1 LEU 133 HB2 0.12 0.12 0.15 -0.04 1.64 1.99 2uwfA1 LEU 133 HB3 0.13 -0.05 0.01 -0.04 1.64 1.69 2uwfA1 LEU 133 HG 0.17 0.17 0.11 -0.04 1.64 2.05 2uwfA1 LEU 133 HD13 0.10 -0.01 -0.05 -0.04 0.93 0.92 2uwfA1 LEU 133 HD23 0.21 -0.04 -0.10 -0.04 0.89 0.92 2uwfA1 GLU 134 H 0.13 0.58 -0.26 -0.55 8.60 8.50 2uwfA1 GLU 134 HA 0.13 0.00 0.47 -0.75 4.29 4.14 2uwfA1 GLU 134 HB2 0.10 0.07 0.12 -0.04 2.09 2.34 2uwfA1 GLU 134 HB3 0.11 0.10 0.14 -0.04 1.99 2.31 2uwfA1 GLU 134 HG2 0.08 -0.02 -0.02 -0.04 2.34 2.35 2uwfA1 GLU 134 HG3 0.11 -0.03 -0.14 -0.04 2.34 2.24 2uwfA1 ARG 135 H 0.17 0.57 -0.07 -0.55 8.46 8.58 2uwfA1 ARG 135 HA 0.24 -0.02 0.54 -0.75 4.34 4.34 2uwfA1 ARG 135 HB2 0.19 0.17 0.26 -0.04 1.90 2.48 2uwfA1 ARG 135 HB3 0.06 -0.08 -0.00 -0.04 1.80 1.74 2uwfA1 ARG 135 HG2 0.26 -0.10 0.05 -0.04 1.67 1.85 2uwfA1 ARG 135 HG3 0.15 0.05 0.12 -0.04 1.67 1.95 2uwfA1 ARG 135 HD2 0.05 0.05 -0.01 -0.04 3.22 3.27 2uwfA1 ARG 135 HD3 -0.16 -0.06 0.07 -0.04 3.22 3.03 2uwfA1 MET 136 H 0.34 0.68 -0.02 -0.55 8.47 8.92 2uwfA1 MET 136 HA 0.39 0.02 0.57 -0.75 4.52 4.74 2uwfA1 MET 136 HB2 0.47 0.02 0.11 -0.04 2.15 2.71 2uwfA1 MET 136 HB3 0.21 0.08 0.15 -0.04 2.03 2.43 2uwfA1 MET 136 HG2 0.00 -0.00 -0.14 -0.04 2.63 2.45 2uwfA1 MET 136 HG3 -0.22 -0.02 0.04 -0.04 2.56 2.33 2uwfA1 MET 136 HE3 0.04 0.03 -0.08 -0.04 2.10 2.04 2uwfA1 GLU 137 H 0.19 0.79 -0.00 -0.55 8.60 9.03 2uwfA1 GLU 137 HA 0.12 -0.00 0.41 -0.75 4.29 4.06 2uwfA1 GLU 137 HB2 0.14 0.10 0.15 -0.04 2.09 2.44 2uwfA1 GLU 137 HB3 0.14 -0.05 0.02 -0.04 1.99 2.06 2uwfA1 GLU 137 HG2 0.10 -0.02 0.02 -0.04 2.34 2.39 2uwfA1 GLU 137 HG3 0.12 0.07 0.07 -0.04 2.34 2.55 2uwfA1 ASN 138 H 0.21 0.65 -0.15 -0.55 8.53 8.69 2uwfA1 ASN 138 HA 0.10 0.00 0.53 -0.75 4.76 4.64 2uwfA1 ASN 138 HB2 0.16 0.04 0.13 -0.04 2.88 3.17 2uwfA1 ASN 138 HB3 0.27 0.09 0.17 -0.04 2.79 3.27 2uwfA1 ASN 138 HD21 0.11 -0.02 0.02 -0.04 7.03 7.11 2uwfA1 ASN 138 HD22 0.08 0.01 0.07 -0.04 7.74 7.86 2uwfA1 HIS 139 H 0.43 0.53 -0.16 -0.55 8.41 8.67 2uwfA1 HIS 139 HA 0.66 -0.03 0.41 -0.75 4.63 4.92 2uwfA1 HIS 139 HB2 0.53 0.01 0.18 -0.04 3.26 3.95 2uwfA1 HIS 139 HB3 0.34 0.13 0.26 -0.04 3.20 3.89 2uwfA1 HIS 139 HD2 0.25 0.06 -0.06 -0.04 6.97 7.17 2uwfA1 HIS 139 HE1 0.27 -0.01 0.04 -0.04 7.75 8.01 2uwfA1 ILE 140 H 0.25 0.59 -0.06 -0.55 8.25 8.48 2uwfA1 ILE 140 HA 0.05 0.00 0.36 -0.75 4.18 3.83 2uwfA1 ILE 140 HB 0.05 0.07 0.10 -0.04 1.89 2.07 2uwfA1 ILE 140 HG12 0.03 -0.05 0.02 -0.04 1.49 1.45 2uwfA1 ILE 140 HG13 0.15 0.10 0.08 -0.04 1.21 1.50 2uwfA1 ILE 140 HG23 -0.14 -0.00 -0.18 -0.04 0.93 0.57 2uwfA1 ILE 140 HD13 -0.05 0.00 -0.03 -0.04 0.88 0.76 2uwfA1 LYS 141 H -0.02 0.64 -0.13 -0.55 8.42 8.35 2uwfA1 LYS 141 HA -0.44 0.02 0.41 -0.75 4.32 3.56 2uwfA1 LYS 141 HB2 -0.71 -0.01 0.10 -0.04 1.87 1.20 2uwfA1 LYS 141 HB3 -0.20 0.09 0.22 -0.04 1.79 1.87 2uwfA1 LYS 141 HG2 -0.34 0.01 -0.25 -0.04 1.46 0.83 2uwfA1 LYS 141 HG3 -0.92 -0.03 -0.08 -0.04 1.46 0.39 2uwfA1 LYS 141 HD2 -0.55 0.00 -0.02 -0.04 1.69 1.08 2uwfA1 LYS 141 HD3 -0.18 -0.02 -0.01 -0.04 1.68 1.42 2uwfA1 LYS 141 HE2 -0.15 -0.02 -0.04 -0.04 2.99 2.73 2uwfA1 LYS 141 HE3 -0.28 0.01 -0.04 -0.04 2.99 2.65 2uwfA1 THR 142 H -0.08 0.62 -0.05 -0.55 8.28 8.23 2uwfA1 THR 142 HA -0.28 -0.01 0.38 -0.75 4.39 3.72 2uwfA1 THR 142 HB -0.35 0.10 0.13 -0.04 4.32 4.16 2uwfA1 THR 142 HG23 -0.87 -0.03 -0.05 -0.04 1.22 0.23 2uwfA1 VAL 143 H -0.08 0.55 -0.20 -0.55 8.24 7.97 2uwfA1 VAL 143 HA 0.05 -0.03 0.32 -0.75 4.13 3.72 2uwfA1 VAL 143 HB 0.00 0.08 0.14 -0.04 2.12 2.31 2uwfA1 VAL 143 HG13 0.25 -0.02 -0.17 -0.04 0.97 0.99 2uwfA1 VAL 143 HG23 0.29 0.02 0.00 -0.04 0.95 1.22 2uwfA1 VAL 144 H -0.21 0.75 -0.01 -0.55 8.24 8.22 2uwfA1 VAL 144 HA -0.14 -0.05 0.25 -0.75 4.13 3.43 2uwfA1 VAL 144 HB -0.26 0.08 0.08 -0.04 2.12 1.98 2uwfA1 VAL 144 HG13 -0.35 0.03 -0.25 -0.04 0.97 0.37 2uwfA1 VAL 144 HG23 -1.05 -0.01 0.03 -0.04 0.95 -0.12 2uwfA1 GLU 145 H -0.21 0.67 -0.02 -0.55 8.60 8.50 2uwfA1 GLU 145 HA -0.07 0.07 0.52 -0.75 4.29 4.06 2uwfA1 GLU 145 HB2 -0.24 0.13 0.13 -0.04 2.09 2.06 2uwfA1 GLU 145 HB3 -0.17 -0.08 -0.00 -0.04 1.99 1.70 2uwfA1 GLU 145 HG2 -0.03 0.01 0.09 -0.04 2.34 2.37 2uwfA1 GLU 145 HG3 -0.19 0.02 0.10 -0.04 2.34 2.23 2uwfA1 ARG 146 H -0.33 0.44 -0.35 -0.55 8.46 7.67 2uwfA1 ARG 146 HA -0.37 0.01 0.45 -0.75 4.34 3.67 2uwfA1 ARG 146 HB2 -0.89 0.04 0.13 -0.04 1.90 1.13 2uwfA1 ARG 146 HB3 -1.07 0.12 0.13 -0.04 1.80 0.94 2uwfA1 ARG 146 HG2 -1.15 -0.03 -0.14 -0.04 1.67 0.31 2uwfA1 ARG 146 HG3 -0.77 -0.04 0.06 -0.04 1.67 0.88 2uwfA1 ARG 146 HD2 -2.43 0.00 -0.02 -0.04 3.22 0.73 2uwfA1 ARG 146 HD3 -2.45 -0.00 -0.04 -0.04 3.22 0.69 2uwfA1 TYR 147 H 0.02 0.47 -0.04 -0.55 8.29 8.19 2uwfA1 TYR 147 HA 0.03 0.16 0.88 -0.75 4.56 4.87 2uwfA1 TYR 147 HB2 0.33 0.10 -0.01 -0.04 3.06 3.44 2uwfA1 TYR 147 HB3 0.11 -0.10 0.06 -0.04 2.98 3.01 2uwfA1 TYR 147 HD2 0.23 0.06 -0.09 -0.04 7.15 7.31 2uwfA1 TYR 147 HE2 0.28 -0.02 -0.08 -0.04 6.85 6.98 2uwfA1 LYS 148 H 0.16 0.50 -0.08 -0.55 8.42 8.45 2uwfA1 LYS 148 HA 0.55 -0.02 0.23 -0.75 4.32 4.32 2uwfA1 LYS 148 HB2 0.14 0.04 0.11 -0.04 1.87 2.11 2uwfA1 LYS 148 HB3 0.10 0.19 0.11 -0.04 1.79 2.15 2uwfA1 LYS 148 HG2 0.05 0.08 0.07 -0.04 1.46 1.61 2uwfA1 LYS 148 HG3 0.07 -0.08 -0.11 -0.04 1.46 1.30 2uwfA1 LYS 148 HD2 0.02 0.11 0.06 -0.04 1.69 1.84 2uwfA1 LYS 148 HD3 0.02 -0.10 0.04 -0.04 1.68 1.60 2uwfA1 LYS 148 HE2 0.04 -0.11 -0.06 -0.04 2.99 2.82 2uwfA1 LYS 148 HE3 0.05 0.09 -0.01 -0.04 2.99 3.08 2uwfA1 ASP 149 H 0.11 0.10 -0.28 -0.55 8.40 7.78 2uwfA1 ASP 149 HA 0.08 0.18 0.68 -0.75 4.63 4.82 2uwfA1 ASP 149 HB2 0.05 -0.01 -0.01 -0.04 2.71 2.70 2uwfA1 ASP 149 HB3 0.04 -0.01 0.06 -0.04 2.70 2.75 2uwfA1 ASP 150 H 0.13 0.40 -0.18 -0.55 8.40 8.20 2uwfA1 ASP 150 HA 0.02 0.18 0.82 -0.75 4.63 4.89 2uwfA1 ASP 150 HB2 0.07 0.04 0.10 -0.04 2.71 2.88 2uwfA1 ASP 150 HB3 -0.02 -0.07 0.06 -0.04 2.70 2.64 2uwfA1 VAL 151 H 0.06 0.34 -0.06 -0.55 8.24 8.04 2uwfA1 VAL 151 HA -0.18 0.16 0.81 -0.75 4.13 4.17 2uwfA1 VAL 151 HB -0.48 0.06 -0.06 -0.04 2.12 1.60 2uwfA1 VAL 151 HG13 -1.34 -0.04 -0.30 -0.04 0.97 -0.74 2uwfA1 VAL 151 HG23 -0.43 -0.02 -0.20 -0.04 0.95 0.26 2uwfA1 THR 152 H -0.13 0.48 0.36 -0.55 8.28 8.43 2uwfA1 THR 152 HA 0.05 0.27 0.91 -0.75 4.39 4.86 2uwfA1 THR 152 HB 0.03 -0.01 0.06 -0.04 4.32 4.36 2uwfA1 THR 152 HG23 0.03 0.03 -0.12 -0.04 1.22 1.12 2uwfA1 SER 153 H -0.16 0.22 0.25 -0.55 8.46 8.23 2uwfA1 SER 153 HA 0.24 0.32 0.46 -0.75 4.49 4.75 2uwfA1 SER 153 HB2 -0.12 -0.16 -0.03 -0.04 3.95 3.60 2uwfA1 SER 153 HB3 -0.13 0.01 -0.08 -0.04 3.93 3.68 2uwfA1 TRP 154 H 0.50 0.85 0.23 -0.55 7.97 9.02 2uwfA1 TRP 154 HA 0.20 0.07 0.93 -0.75 4.62 5.07 2uwfA1 TRP 154 HB2 0.09 0.03 0.10 -0.04 3.23 3.40 2uwfA1 TRP 154 HB3 0.02 -0.02 -0.14 -0.04 3.23 3.05 2uwfA1 TRP 154 HD1 0.08 0.08 -0.23 -0.04 7.22 7.10 2uwfA1 TRP 154 HE1 0.04 0.19 -0.11 -0.04 10.20 10.27 2uwfA1 TRP 154 HE3 -0.33 -0.02 -0.09 -0.04 7.59 7.10 2uwfA1 TRP 154 HZ2 0.01 0.07 -0.24 -0.04 7.44 7.24 2uwfA1 TRP 154 HZ3 -1.64 -0.02 -0.17 -0.04 7.13 5.26 2uwfA1 TRP 154 HH2 -0.11 0.02 -0.23 -0.04 7.19 6.82 2uwfA1 ASP 155 H 0.31 0.64 0.20 -0.55 8.40 9.00 2uwfA1 ASP 155 HA 0.19 0.09 0.71 -0.75 4.63 4.87 2uwfA1 ASP 155 HB2 0.16 0.16 0.31 -0.04 2.71 3.29 2uwfA1 ASP 155 HB3 0.04 -0.09 -0.04 -0.04 2.70 2.56 2uwfA1 VAL 156 H 0.04 0.71 0.26 -0.55 8.24 8.70 2uwfA1 VAL 156 HA -0.05 0.06 0.47 -0.75 4.13 3.86 2uwfA1 VAL 156 HB -1.07 0.05 0.10 -0.04 2.12 1.16 2uwfA1 VAL 156 HG13 -0.72 -0.00 -0.32 -0.04 0.97 -0.11 2uwfA1 VAL 156 HG23 -0.16 0.03 -0.04 -0.04 0.95 0.73 2uwfA1 VAL 157 H -0.16 0.26 0.26 -0.55 8.24 8.06 2uwfA1 VAL 157 HA -0.09 0.36 0.85 -0.75 4.13 4.49 2uwfA1 VAL 157 HB -0.02 -0.03 0.01 -0.04 2.12 2.03 2uwfA1 VAL 157 HG13 -0.29 0.00 -0.15 -0.04 0.97 0.50 2uwfA1 VAL 157 HG23 0.07 -0.02 -0.03 -0.04 0.95 0.93 2uwfA1 ASN 158 H 0.03 0.45 0.23 -0.55 8.53 8.69 2uwfA1 ASN 158 HA -0.12 0.15 0.93 -0.75 4.76 4.97 2uwfA1 ASN 158 HB2 -0.37 0.03 -0.21 -0.04 2.88 2.29 2uwfA1 ASN 158 HB3 -0.74 -0.01 0.08 -0.04 2.79 2.08 2uwfA1 ASN 158 HD21 -1.10 -0.02 -0.11 -0.04 7.03 5.75 2uwfA1 ASN 158 HD22 -3.33 -0.00 -0.11 -0.04 7.74 4.26 2uwfA1 GLU 159 H -0.02 0.64 0.32 -0.55 8.60 9.00 2uwfA1 GLU 159 HA 0.06 -0.01 0.48 -0.75 4.29 4.06 2uwfA1 GLU 159 HB2 0.71 0.05 -0.07 -0.04 2.09 2.75 2uwfA1 GLU 159 HB3 0.49 0.03 0.15 -0.04 1.99 2.61 2uwfA1 GLU 159 HG2 0.33 -0.09 0.05 -0.04 2.34 2.59 2uwfA1 GLU 159 HG3 0.00 -0.04 -0.14 -0.04 2.34 2.12 2uwfA1 VAL 160 H 0.06 0.14 -0.01 -0.55 8.24 7.88 2uwfA1 VAL 160 HA 0.20 0.16 0.69 -0.75 4.13 4.42 2uwfA1 VAL 160 HB 0.13 -0.00 0.08 -0.04 2.12 2.29 2uwfA1 VAL 160 HG13 0.14 -0.00 -0.20 -0.04 0.97 0.87 2uwfA1 VAL 160 HG23 0.02 0.02 -0.12 -0.04 0.95 0.83 2uwfA1 ILE 161 H -0.01 0.03 -0.07 -0.55 8.25 7.64 2uwfA1 ILE 161 HA -0.04 0.15 0.87 -0.75 4.18 4.40 2uwfA1 ILE 161 HB -0.07 -0.10 0.06 -0.04 1.89 1.74 2uwfA1 ILE 161 HG12 -0.01 0.03 -0.21 -0.04 1.49 1.26 2uwfA1 ILE 161 HG13 -0.02 0.09 -0.10 -0.04 1.21 1.14 2uwfA1 ILE 161 HG23 -0.05 0.08 -0.13 -0.04 0.93 0.79 2uwfA1 ILE 161 HD13 -0.01 -0.04 -0.19 -0.04 0.88 0.59 2uwfA1 ASP 162 H -0.06 0.65 -0.03 -0.55 8.40 8.42 2uwfA1 ASP 162 HA -0.05 0.08 0.48 -0.75 4.63 4.39 2uwfA1 ASP 162 HB2 -0.08 0.08 -0.48 -0.04 2.71 2.19 2uwfA1 ASP 162 HB3 -0.05 -0.10 -0.20 -0.04 2.70 2.30 2uwfA1 ASP 163 H -0.00 0.14 0.11 -0.55 8.40 8.10 2uwfA1 ASP 163 HA -0.03 0.14 0.43 -0.75 4.63 4.42 2uwfA1 ASP 163 HB2 0.04 -0.01 0.08 -0.04 2.71 2.78 2uwfA1 ASP 163 HB3 0.03 0.04 0.06 -0.04 2.70 2.79 2uwfA1 ASP 164 H -0.01 -0.01 -0.32 -0.55 8.40 7.51 2uwfA1 ASP 164 HA 0.00 0.26 0.82 -0.75 4.63 4.96 2uwfA1 ASP 164 HB2 0.01 -0.04 -0.02 -0.04 2.71 2.61 2uwfA1 ASP 164 HB3 -0.00 -0.02 0.01 -0.04 2.70 2.65 2uwfA1 GLY 165 H -0.02 0.29 -0.41 -0.55 8.43 7.75 2uwfA1 GLY 165 HA2 -0.01 0.04 0.17 -0.51 4.01 3.71 2uwfA1 GLY 165 HA3 -0.01 0.21 0.79 -0.51 4.01 4.49 2uwfA1 GLY 166 H -0.04 0.02 -0.12 -0.55 8.43 7.74 2uwfA1 GLY 166 HA2 -0.03 0.24 0.64 -0.51 4.01 4.35 2uwfA1 GLY 166 HA3 -0.06 0.04 0.38 -0.51 4.01 3.86 2uwfA1 LEU 167 H -0.12 0.14 0.15 -0.55 8.37 7.99 2uwfA1 LEU 167 HA -0.09 0.14 0.90 -0.75 4.35 4.54 2uwfA1 LEU 167 HB2 -0.47 -0.04 0.06 -0.04 1.64 1.15 2uwfA1 LEU 167 HB3 -0.24 0.11 0.04 -0.04 1.64 1.51 2uwfA1 LEU 167 HG -0.02 -0.03 0.03 -0.04 1.64 1.58 2uwfA1 LEU 167 HD13 0.19 0.00 -0.01 -0.04 0.93 1.07 2uwfA1 LEU 167 HD23 0.02 0.01 0.01 -0.04 0.89 0.89 2uwfA1 ARG 168 H -0.07 0.73 0.11 -0.55 8.46 8.67 2uwfA1 ARG 168 HA -0.12 -0.04 0.37 -0.75 4.34 3.79 2uwfA1 ARG 168 HB2 -0.05 0.06 -0.41 -0.04 1.90 1.46 2uwfA1 ARG 168 HB3 -0.01 0.01 0.05 -0.04 1.80 1.81 2uwfA1 ARG 168 HG2 -0.17 -0.09 -0.21 -0.04 1.67 1.16 2uwfA1 ARG 168 HG3 -0.14 -0.04 -0.06 -0.04 1.67 1.38 2uwfA1 ARG 168 HD2 -0.26 0.04 0.04 -0.04 3.22 2.99 2uwfA1 ARG 168 HD3 -0.93 -0.06 -0.03 -0.04 3.22 2.15 2uwfA1 GLU 169 H -0.11 0.12 0.09 -0.55 8.60 8.16 2uwfA1 GLU 169 HA -0.02 0.14 0.39 -0.75 4.29 4.04 2uwfA1 GLU 169 HB2 -0.07 0.03 0.11 -0.04 2.09 2.11 2uwfA1 GLU 169 HB3 -0.03 -0.02 0.17 -0.04 1.99 2.07 2uwfA1 GLU 169 HG2 0.16 0.03 0.02 -0.04 2.34 2.51 2uwfA1 GLU 169 HG3 0.10 0.03 0.01 -0.04 2.34 2.44 2uwfA1 SER 170 H 0.01 0.34 -0.47 -0.55 8.46 7.80 2uwfA1 SER 170 HA -0.08 0.15 0.46 -0.75 4.49 4.26 2uwfA1 SER 170 HB2 0.04 -0.02 0.15 -0.04 3.95 4.07 2uwfA1 SER 170 HB3 0.00 0.07 0.05 -0.04 3.93 4.01 2uwfA1 GLU 171 H -0.32 0.20 0.16 -0.55 8.60 8.10 2uwfA1 GLU 171 HA -0.35 0.12 0.43 -0.75 4.29 3.73 2uwfA1 GLU 171 HB2 -1.55 0.01 0.12 -0.04 2.09 0.64 2uwfA1 GLU 171 HB3 -1.37 0.05 0.05 -0.04 1.99 0.67 2uwfA1 GLU 171 HG2 -0.39 0.02 0.08 -0.04 2.34 2.01 2uwfA1 GLU 171 HG3 -0.41 -0.02 0.13 -0.04 2.34 2.00 2uwfA1 TRP 172 H -0.38 0.06 -0.22 -0.55 7.97 6.88 2uwfA1 TRP 172 HA -0.25 0.11 0.28 -0.75 4.62 4.01 2uwfA1 TRP 172 HB2 -0.77 -0.07 -0.02 -0.04 3.23 2.33 2uwfA1 TRP 172 HB3 -1.67 0.03 -0.13 -0.04 3.23 1.43 2uwfA1 TRP 172 HD1 -0.07 -0.10 -0.14 -0.04 7.22 6.87 2uwfA1 TRP 172 HE1 0.01 0.31 -0.18 -0.04 10.20 10.31 2uwfA1 TRP 172 HE3 -0.04 -0.04 -0.05 -0.04 7.59 7.41 2uwfA1 TRP 172 HZ2 -0.57 0.06 0.01 -0.04 7.44 6.90 2uwfA1 TRP 172 HZ3 0.04 0.05 -0.09 -0.04 7.13 7.09 2uwfA1 TRP 172 HH2 -0.49 0.06 -0.01 -0.04 7.19 6.71 2uwfA1 TYR 173 H 0.07 0.03 -0.26 -0.55 8.29 7.58 2uwfA1 TYR 173 HA 0.16 0.24 0.50 -0.75 4.56 4.70 2uwfA1 TYR 173 HB2 0.13 0.03 0.14 -0.04 3.06 3.32 2uwfA1 TYR 173 HB3 0.01 0.01 0.10 -0.04 2.98 3.06 2uwfA1 TYR 173 HD2 0.14 0.03 -0.19 -0.04 7.15 7.09 2uwfA1 TYR 173 HE2 0.06 -0.01 -0.11 -0.04 6.85 6.75 2uwfA1 GLN 174 H 0.02 0.60 -0.15 -0.55 8.47 8.40 2uwfA1 GLN 174 HA -0.05 0.02 0.28 -0.75 4.36 3.86 2uwfA1 GLN 174 HB2 -0.10 -0.01 0.06 -0.04 2.15 2.06 2uwfA1 GLN 174 HB3 -0.04 0.04 0.02 -0.04 2.02 1.99 2uwfA1 GLN 174 HG2 0.06 -0.04 -0.02 -0.04 2.40 2.36 2uwfA1 GLN 174 HG3 0.06 0.10 -0.18 -0.04 2.39 2.33 2uwfA1 GLN 174 HE21 -0.07 -0.10 -0.03 -0.04 6.97 6.73 2uwfA1 GLN 174 HE22 -0.04 0.53 -0.01 -0.04 7.69 8.13 2uwfA1 ILE 175 H -0.09 0.35 -0.39 -0.55 8.25 7.56 2uwfA1 ILE 175 HA -0.04 0.14 0.57 -0.75 4.18 4.09 2uwfA1 ILE 175 HB -0.03 0.04 0.06 -0.04 1.89 1.91 2uwfA1 ILE 175 HG12 -0.06 0.01 -0.19 -0.04 1.49 1.21 2uwfA1 ILE 175 HG13 -0.14 -0.04 -0.08 -0.04 1.21 0.91 2uwfA1 ILE 175 HG23 0.03 -0.01 -0.19 -0.04 0.93 0.72 2uwfA1 ILE 175 HD13 -0.17 -0.04 -0.09 -0.04 0.88 0.54 2uwfA1 THR 176 H 0.01 0.50 0.02 -0.55 8.28 8.27 2uwfA1 THR 176 HA 0.06 0.21 0.87 -0.75 4.39 4.78 2uwfA1 THR 176 HB 0.19 -0.11 0.05 -0.04 4.32 4.41 2uwfA1 THR 176 HG23 0.24 0.02 -0.06 -0.04 1.22 1.38 2uwfA1 GLY 177 H -0.18 0.58 0.00 -0.55 8.43 8.29 2uwfA1 GLY 177 HA2 -0.72 0.12 0.37 -0.51 4.01 3.28 2uwfA1 GLY 177 HA3 -0.15 0.01 0.61 -0.51 4.01 3.97 2uwfA1 THR 178 H 0.03 0.21 0.21 -0.55 8.28 8.17 2uwfA1 THR 178 HA 0.19 0.12 0.50 -0.75 4.39 4.45 2uwfA1 THR 178 HB 0.14 0.01 0.08 -0.04 4.32 4.51 2uwfA1 THR 178 HG23 0.03 0.02 -0.04 -0.04 1.22 1.20 2uwfA1 ASP 179 H 0.10 0.45 -0.29 -0.55 8.40 8.12 2uwfA1 ASP 179 HA 0.03 0.05 0.30 -0.75 4.63 4.26 2uwfA1 ASP 179 HB2 0.10 0.21 0.10 -0.04 2.71 3.07 2uwfA1 ASP 179 HB3 0.07 -0.01 0.02 -0.04 2.70 2.74 2uwfA1 TYR 180 H 0.36 0.24 -0.35 -0.55 8.29 7.99 2uwfA1 TYR 180 HA 0.04 0.10 0.36 -0.75 4.56 4.30 2uwfA1 TYR 180 HB2 -0.08 0.02 -0.01 -0.04 3.06 2.95 2uwfA1 TYR 180 HB3 0.22 0.07 -0.01 -0.04 2.98 3.21 2uwfA1 TYR 180 HD2 -0.22 0.13 -0.20 -0.04 7.15 6.81 2uwfA1 TYR 180 HE2 0.05 0.04 -0.12 -0.04 6.85 6.79 2uwfA1 ILE 181 H -0.55 0.24 -0.37 -0.55 8.25 7.03 2uwfA1 ILE 181 HA -0.32 0.06 0.44 -0.75 4.18 3.60 2uwfA1 ILE 181 HB -0.22 0.19 0.12 -0.04 1.89 1.93 2uwfA1 ILE 181 HG12 -0.44 -0.04 -0.05 -0.04 1.49 0.92 2uwfA1 ILE 181 HG13 -1.64 -0.08 -0.06 -0.04 1.21 -0.62 2uwfA1 ILE 181 HG23 0.06 0.01 -0.17 -0.04 0.93 0.78 2uwfA1 ILE 181 HD13 -0.13 0.01 -0.01 -0.04 0.88 0.71 2uwfA1 LYS 182 H -0.06 0.28 -0.02 -0.55 8.42 8.07 2uwfA1 LYS 182 HA 0.03 0.07 0.38 -0.75 4.32 4.05 2uwfA1 LYS 182 HB2 0.01 0.04 0.13 -0.04 1.87 2.01 2uwfA1 LYS 182 HB3 0.00 0.06 0.02 -0.04 1.79 1.83 2uwfA1 LYS 182 HG2 -0.03 0.01 0.03 -0.04 1.46 1.43 2uwfA1 LYS 182 HG3 -0.02 0.06 0.02 -0.04 1.46 1.49 2uwfA1 LYS 182 HD2 -0.02 0.08 -0.00 -0.04 1.69 1.71 2uwfA1 LYS 182 HD3 -0.01 -0.04 -0.04 -0.04 1.68 1.55 2uwfA1 LYS 182 HE2 0.01 -0.05 -0.00 -0.04 2.99 2.91 2uwfA1 LYS 182 HE3 0.00 0.05 -0.01 -0.04 2.99 2.99 2uwfA1 VAL 183 H 0.02 0.65 -0.18 -0.55 8.24 8.18 2uwfA1 VAL 183 HA 0.03 0.04 0.31 -0.75 4.13 3.75 2uwfA1 VAL 183 HB 0.06 0.04 0.06 -0.04 2.12 2.24 2uwfA1 VAL 183 HG13 0.07 -0.01 -0.13 -0.04 0.97 0.86 2uwfA1 VAL 183 HG23 0.06 0.01 0.00 -0.04 0.95 0.97 2uwfA1 ALA 184 H -0.05 0.41 -0.30 -0.55 8.40 7.92 2uwfA1 ALA 184 HA -0.08 0.03 0.46 -0.75 4.34 3.99 2uwfA1 ALA 184 HB3 -0.24 0.02 0.04 -0.04 1.41 1.20 2uwfA1 PHE 185 H 0.05 0.47 -0.16 -0.55 8.34 8.15 2uwfA1 PHE 185 HA -0.07 0.02 0.45 -0.75 4.62 4.26 2uwfA1 PHE 185 HB2 -0.07 0.12 0.06 -0.04 3.15 3.22 2uwfA1 PHE 185 HB3 -0.07 0.07 -0.16 -0.04 3.06 2.87 2uwfA1 PHE 185 HD2 -0.08 0.23 -0.07 -0.04 7.28 7.32 2uwfA1 PHE 185 HE2 -0.07 -0.07 -0.25 -0.04 7.38 6.95 2uwfA1 PHE 185 HZ -0.05 -0.07 -0.27 -0.04 7.32 6.90 2uwfA1 GLU 186 H 0.07 0.43 -0.11 -0.55 8.60 8.45 2uwfA1 GLU 186 HA 0.01 0.09 0.42 -0.75 4.29 4.06 2uwfA1 GLU 186 HB2 0.02 0.00 0.12 -0.04 2.09 2.19 2uwfA1 GLU 186 HB3 -0.01 -0.03 0.00 -0.04 1.99 1.91 2uwfA1 GLU 186 HG2 -0.00 0.05 0.04 -0.04 2.34 2.38 2uwfA1 GLU 186 HG3 0.02 0.08 0.07 -0.04 2.34 2.47 2uwfA1 THR 187 H -0.00 0.55 -0.20 -0.55 8.28 8.08 2uwfA1 THR 187 HA -0.01 0.03 0.53 -0.75 4.39 4.18 2uwfA1 THR 187 HB 0.00 0.07 0.13 -0.04 4.32 4.48 2uwfA1 THR 187 HG23 0.19 -0.02 -0.08 -0.04 1.22 1.28 2uwfA1 ALA 188 H -0.10 0.56 -0.13 -0.55 8.40 8.19 2uwfA1 ALA 188 HA -0.27 -0.00 0.45 -0.75 4.34 3.77 2uwfA1 ALA 188 HB3 -0.29 0.02 0.07 -0.04 1.41 1.17 2uwfA1 ARG 189 H -0.06 0.60 -0.12 -0.55 8.46 8.32 2uwfA1 ARG 189 HA -0.07 0.14 0.43 -0.75 4.34 4.08 2uwfA1 ARG 189 HB2 -0.01 0.06 0.12 -0.04 1.90 2.03 2uwfA1 ARG 189 HB3 -0.04 0.05 0.17 -0.04 1.80 1.94 2uwfA1 ARG 189 HG2 -0.03 -0.02 -0.03 -0.04 1.67 1.55 2uwfA1 ARG 189 HG3 -0.06 -0.04 -0.37 -0.04 1.67 1.16 2uwfA1 ARG 189 HD2 -0.03 -0.13 -0.16 -0.04 3.22 2.86 2uwfA1 ARG 189 HD3 -0.03 0.13 -0.11 -0.04 3.22 3.17 2uwfA1 LYS 190 H -0.13 0.50 -0.17 -0.55 8.42 8.07 2uwfA1 LYS 190 HA -0.19 -0.01 0.45 -0.75 4.32 3.81 2uwfA1 LYS 190 HB2 -0.20 0.13 0.18 -0.04 1.87 1.94 2uwfA1 LYS 190 HB3 -0.40 0.09 0.19 -0.04 1.79 1.62 2uwfA1 LYS 190 HG2 -0.77 -0.00 -0.13 -0.04 1.46 0.51 2uwfA1 LYS 190 HG3 -0.28 -0.04 0.04 -0.04 1.46 1.14 2uwfA1 LYS 190 HD2 -0.16 -0.03 -0.01 -0.04 1.69 1.45 2uwfA1 LYS 190 HD3 -0.26 0.01 0.01 -0.04 1.68 1.39 2uwfA1 LYS 190 HE2 -0.59 0.02 -0.05 -0.04 2.99 2.33 2uwfA1 LYS 190 HE3 -0.16 -0.03 -0.02 -0.04 2.99 2.74 2uwfA1 TYR 191 H -0.14 0.47 -0.14 -0.55 8.29 7.93 2uwfA1 TYR 191 HA -0.07 0.11 0.69 -0.75 4.56 4.53 2uwfA1 TYR 191 HB2 -0.17 0.07 0.06 -0.04 3.06 2.98 2uwfA1 TYR 191 HB3 -0.12 -0.04 0.05 -0.04 2.98 2.82 2uwfA1 TYR 191 HD2 -0.07 0.11 0.02 -0.04 7.15 7.17 2uwfA1 TYR 191 HE2 -0.02 -0.03 -0.01 -0.04 6.85 6.74 2uwfA1 GLY 192 H -0.11 0.47 -0.15 -0.55 8.43 8.09 2uwfA1 GLY 192 HA2 -0.04 0.03 0.58 -0.51 4.01 4.08 2uwfA1 GLY 192 HA3 -0.15 0.04 0.31 -0.51 4.01 3.70 2uwfA1 GLY 193 H -0.06 0.35 -0.21 -0.55 8.43 7.96 2uwfA1 GLY 193 HA2 -0.03 0.02 0.34 -0.51 4.01 3.83 2uwfA1 GLY 193 HA3 0.00 0.04 0.56 -0.51 4.01 4.10 2uwfA1 GLU 194 H -0.00 0.08 0.16 -0.55 8.60 8.30 2uwfA1 GLU 194 HA -0.00 0.12 0.30 -0.75 4.29 3.96 2uwfA1 GLU 194 HB2 -0.01 -0.05 0.16 -0.04 2.09 2.14 2uwfA1 GLU 194 HB3 0.01 0.02 -0.01 -0.04 1.99 1.96 2uwfA1 GLU 194 HG2 -0.01 -0.04 0.02 -0.04 2.34 2.28 2uwfA1 GLU 194 HG3 -0.00 0.05 0.06 -0.04 2.34 2.41 2uwfA1 GLU 195 H 0.03 0.03 -0.17 -0.55 8.60 7.94 2uwfA1 GLU 195 HA 0.04 0.16 0.55 -0.75 4.29 4.29 2uwfA1 GLU 195 HB2 0.05 0.05 0.02 -0.04 2.09 2.17 2uwfA1 GLU 195 HB3 0.05 0.01 0.10 -0.04 1.99 2.11 2uwfA1 GLU 195 HG2 0.02 0.01 -0.13 -0.04 2.34 2.20 2uwfA1 GLU 195 HG3 0.02 -0.07 0.02 -0.04 2.34 2.28 2uwfA1 ALA 196 H 0.07 0.22 -0.46 -0.55 8.40 7.68 2uwfA1 ALA 196 HA 0.25 0.06 0.54 -0.75 4.34 4.44 2uwfA1 ALA 196 HB3 0.12 0.04 -0.09 -0.04 1.41 1.44 2uwfA1 LYS 197 H 0.29 0.20 0.06 -0.55 8.42 8.42 2uwfA1 LYS 197 HA 0.08 0.18 0.83 -0.75 4.32 4.66 2uwfA1 LYS 197 HB2 0.34 0.08 0.22 -0.04 1.87 2.47 2uwfA1 LYS 197 HB3 0.16 -0.08 -0.02 -0.04 1.79 1.80 2uwfA1 LYS 197 HG2 0.14 0.15 0.00 -0.04 1.46 1.71 2uwfA1 LYS 197 HG3 0.16 -0.04 0.03 -0.04 1.46 1.57 2uwfA1 LYS 197 HD2 0.04 -0.06 -0.01 -0.04 1.69 1.62 2uwfA1 LYS 197 HD3 0.06 0.12 -0.20 -0.04 1.68 1.62 2uwfA1 LYS 197 HE2 0.07 0.01 -0.01 -0.04 2.99 3.02 2uwfA1 LYS 197 HE3 0.05 -0.05 -0.01 -0.04 2.99 2.94 2uwfA1 LEU 198 H -0.01 0.25 0.17 -0.55 8.37 8.24 2uwfA1 LEU 198 HA 0.30 0.10 0.77 -0.75 4.35 4.76 2uwfA1 LEU 198 HB2 0.18 0.12 0.26 -0.04 1.64 2.17 2uwfA1 LEU 198 HB3 0.32 -0.08 0.05 -0.04 1.64 1.89 2uwfA1 LEU 198 HG 0.08 0.17 -0.21 -0.04 1.64 1.64 2uwfA1 LEU 198 HD13 0.07 0.04 0.00 -0.04 0.93 1.00 2uwfA1 LEU 198 HD23 -0.01 -0.01 -0.30 -0.04 0.89 0.53 2uwfA1 TYR 199 H 0.37 0.64 0.43 -0.55 8.29 9.18 2uwfA1 TYR 199 HA 0.13 0.30 0.92 -0.75 4.56 5.15 2uwfA1 TYR 199 HB2 0.10 0.09 -0.08 -0.04 3.06 3.12 2uwfA1 TYR 199 HB3 0.04 -0.07 -0.25 -0.04 2.98 2.66 2uwfA1 TYR 199 HD2 0.07 0.01 -0.50 -0.04 7.15 6.68 2uwfA1 TYR 199 HE2 0.05 0.08 -0.28 -0.04 6.85 6.67 2uwfA1 ILE 200 H 0.14 0.57 0.39 -0.55 8.25 8.79 2uwfA1 ILE 200 HA 0.17 0.13 0.95 -0.75 4.18 4.67 2uwfA1 ILE 200 HB 0.25 0.04 0.10 -0.04 1.89 2.24 2uwfA1 ILE 200 HG12 -0.03 -0.04 -0.14 -0.04 1.49 1.23 2uwfA1 ILE 200 HG13 0.06 0.02 0.05 -0.04 1.21 1.31 2uwfA1 ILE 200 HG23 -0.09 0.05 0.14 -0.04 0.93 0.99 2uwfA1 ILE 200 HD13 0.04 -0.01 -0.05 -0.04 0.88 0.82 2uwfA1 ASN 201 H -0.01 0.61 0.38 -0.55 8.53 8.96 2uwfA1 ASN 201 HA -0.10 0.24 1.01 -0.75 4.76 5.16 2uwfA1 ASN 201 HB2 -0.04 0.04 -0.07 -0.04 2.88 2.77 2uwfA1 ASN 201 HB3 -0.13 -0.07 0.11 -0.04 2.79 2.66 2uwfA1 ASN 201 HD21 -0.27 -0.00 -0.17 -0.04 7.03 6.54 2uwfA1 ASN 201 HD22 -0.24 -0.03 -0.12 -0.04 7.74 7.31 2uwfA1 ASP 202 H -0.15 0.64 0.37 -0.55 8.40 8.72 2uwfA1 ASP 202 HA -0.05 -0.04 0.41 -0.75 4.63 4.20 2uwfA1 ASP 202 HB2 -0.13 0.06 -0.22 -0.04 2.71 2.38 2uwfA1 ASP 202 HB3 -0.17 0.08 -0.04 -0.04 2.70 2.52 2uwfA1 TYR 203 H -0.29 0.22 0.20 -0.55 8.29 7.87 2uwfA1 TYR 203 HA -0.04 -0.01 0.96 -0.75 4.56 4.71 2uwfA1 TYR 203 HB2 0.11 -0.00 0.15 -0.04 3.06 3.28 2uwfA1 TYR 203 HB3 0.06 0.04 0.04 -0.04 2.98 3.07 2uwfA1 TYR 203 HD2 0.05 -0.03 -0.07 -0.04 7.15 7.06 2uwfA1 TYR 203 HE2 0.08 0.03 -0.01 -0.04 6.85 6.90 2uwfA1 ASN 204 H 0.20 0.14 0.18 -0.55 8.53 8.50 2uwfA1 ASN 204 HA 0.11 0.02 0.36 -0.75 4.76 4.50 2uwfA1 ASN 204 HB2 -0.01 0.20 -0.07 -0.04 2.88 2.97 2uwfA1 ASN 204 HB3 0.14 -0.03 0.25 -0.04 2.79 3.11 2uwfA1 ASN 204 HD21 0.17 0.06 -0.01 -0.04 7.03 7.20 2uwfA1 ASN 204 HD22 0.17 0.03 -0.00 -0.04 7.74 7.90 2uwfA1 THR 205 H -0.03 0.02 -0.36 -0.55 8.28 7.36 2uwfA1 THR 205 HA -0.02 0.15 0.33 -0.75 4.39 4.11 2uwfA1 THR 205 HB 0.00 0.12 -0.04 -0.04 4.32 4.36 2uwfA1 THR 205 HG23 -0.25 0.02 -0.18 -0.04 1.22 0.77 2uwfA1 GLU 206 H -0.07 -0.11 -0.41 -0.55 8.60 7.45 2uwfA1 GLU 206 HA -0.10 0.28 0.49 -0.75 4.29 4.20 2uwfA1 GLU 206 HB2 -0.30 -0.06 -0.11 -0.04 2.09 1.58 2uwfA1 GLU 206 HB3 -0.25 -0.02 -0.18 -0.04 1.99 1.50 2uwfA1 GLU 206 HG2 -0.28 0.07 -0.09 -0.04 2.34 2.00 2uwfA1 GLU 206 HG3 -0.22 0.10 -0.12 -0.04 2.34 2.06 2uwfA1 VAL 207 H 0.01 0.19 -0.28 -0.55 8.24 7.61 2uwfA1 VAL 207 HA 0.07 0.12 0.60 -0.75 4.13 4.16 2uwfA1 VAL 207 HB 0.07 0.14 0.21 -0.04 2.12 2.50 2uwfA1 VAL 207 HG13 0.08 -0.05 -0.04 -0.04 0.97 0.92 2uwfA1 VAL 207 HG23 0.29 -0.02 0.07 -0.04 0.95 1.25 2uwfA1 PRO 208 HA -0.03 0.13 0.26 -0.51 4.44 4.29 2uwfA1 PRO 208 HB2 0.00 -0.02 0.08 -0.04 2.28 2.30 2uwfA1 PRO 208 HB3 -0.02 0.08 0.06 -0.04 2.02 2.10 2uwfA1 PRO 208 HG2 0.02 0.03 0.11 -0.04 2.03 2.15 2uwfA1 PRO 208 HG3 -0.01 0.08 0.12 -0.04 2.03 2.18 2uwfA1 PRO 208 HD2 0.05 0.04 0.24 -0.04 3.68 3.97 2uwfA1 PRO 208 HD3 0.01 0.28 0.34 -0.04 3.65 4.24 2uwfA1 SER 209 H 0.02 0.11 -0.16 -0.55 8.46 7.87 2uwfA1 SER 209 HA 0.00 0.10 0.39 -0.75 4.49 4.23 2uwfA1 SER 209 HB2 0.01 0.06 0.01 -0.04 3.95 3.99 2uwfA1 SER 209 HB3 0.01 0.02 0.06 -0.04 3.93 3.98 2uwfA1 LYS 210 H 0.02 0.18 -0.20 -0.55 8.42 7.86 2uwfA1 LYS 210 HA -0.01 0.11 0.59 -0.75 4.32 4.26 2uwfA1 LYS 210 HB2 -0.01 -0.04 0.08 -0.04 1.87 1.85 2uwfA1 LYS 210 HB3 -0.01 0.21 0.11 -0.04 1.79 2.07 2uwfA1 LYS 210 HG2 -0.07 -0.04 -0.21 -0.04 1.46 1.10 2uwfA1 LYS 210 HG3 -0.06 -0.00 -0.06 -0.04 1.46 1.29 2uwfA1 LYS 210 HD2 -0.11 -0.05 -0.09 -0.04 1.69 1.39 2uwfA1 LYS 210 HD3 -0.15 0.06 -0.02 -0.04 1.68 1.53 2uwfA1 LYS 210 HE2 -0.29 -0.07 -0.07 -0.04 2.99 2.53 2uwfA1 LYS 210 HE3 -0.22 0.05 -0.28 -0.04 2.99 2.50 2uwfA1 ARG 211 H 0.02 0.62 -0.09 -0.55 8.46 8.45 2uwfA1 ARG 211 HA 0.15 -0.01 0.43 -0.75 4.34 4.16 2uwfA1 ARG 211 HB2 0.02 0.23 -0.06 -0.04 1.90 2.04 2uwfA1 ARG 211 HB3 -0.02 0.08 0.03 -0.04 1.80 1.85 2uwfA1 ARG 211 HG2 -0.11 -0.09 -0.03 -0.04 1.67 1.40 2uwfA1 ARG 211 HG3 -0.03 0.04 0.02 -0.04 1.67 1.66 2uwfA1 ARG 211 HD2 -0.14 0.02 -0.19 -0.04 3.22 2.86 2uwfA1 ARG 211 HD3 -0.29 0.01 -0.12 -0.04 3.22 2.78 2uwfA1 ASP 212 H 0.00 0.48 -0.23 -0.55 8.40 8.11 2uwfA1 ASP 212 HA 0.02 0.06 0.39 -0.75 4.63 4.34 2uwfA1 ASP 212 HB2 0.00 0.07 0.11 -0.04 2.71 2.85 2uwfA1 ASP 212 HB3 0.02 -0.03 -0.04 -0.04 2.70 2.61 2uwfA1 ASP 213 H 0.03 0.38 -0.20 -0.55 8.40 8.06 2uwfA1 ASP 213 HA 0.04 0.02 0.51 -0.75 4.63 4.45 2uwfA1 ASP 213 HB2 0.01 0.04 0.20 -0.04 2.71 2.91 2uwfA1 ASP 213 HB3 0.00 -0.06 0.02 -0.04 2.70 2.63 2uwfA1 LEU 214 H 0.08 0.66 -0.14 -0.55 8.37 8.42 2uwfA1 LEU 214 HA 0.05 -0.06 0.39 -0.75 4.35 3.97 2uwfA1 LEU 214 HB2 0.04 -0.02 0.06 -0.04 1.64 1.69 2uwfA1 LEU 214 HB3 0.30 0.17 0.09 -0.04 1.64 2.16 2uwfA1 LEU 214 HG 0.01 0.04 -0.13 -0.04 1.64 1.52 2uwfA1 LEU 214 HD13 -0.05 -0.04 -0.03 -0.04 0.93 0.77 2uwfA1 LEU 214 HD23 -0.28 -0.00 -0.09 -0.04 0.89 0.48 2uwfA1 TYR 215 H 0.25 0.64 -0.13 -0.55 8.29 8.50 2uwfA1 TYR 215 HA 0.18 0.01 0.36 -0.75 4.56 4.36 2uwfA1 TYR 215 HB2 -0.31 0.04 0.06 -0.04 3.06 2.81 2uwfA1 TYR 215 HB3 -0.08 0.06 0.20 -0.04 2.98 3.12 2uwfA1 TYR 215 HD2 -0.18 0.01 -0.10 -0.04 7.15 6.83 2uwfA1 TYR 215 HE2 -0.07 0.05 -0.04 -0.04 6.85 6.76 2uwfA1 ASN 216 H 0.12 0.69 -0.12 -0.55 8.53 8.67 2uwfA1 ASN 216 HA -0.13 0.01 0.41 -0.75 4.76 4.30 2uwfA1 ASN 216 HB2 0.03 0.09 0.18 -0.04 2.88 3.15 2uwfA1 ASN 216 HB3 -0.00 -0.07 0.01 -0.04 2.79 2.69 2uwfA1 ASN 216 HD21 0.06 -0.06 -0.04 -0.04 7.03 6.95 2uwfA1 ASN 216 HD22 0.04 -0.03 -0.03 -0.04 7.74 7.68 2uwfA1 LEU 217 H 0.00 0.61 -0.11 -0.55 8.37 8.32 2uwfA1 LEU 217 HA -0.03 -0.03 0.41 -0.75 4.35 3.94 2uwfA1 LEU 217 HB2 -0.01 0.01 0.09 -0.04 1.64 1.69 2uwfA1 LEU 217 HB3 -0.01 0.10 0.16 -0.04 1.64 1.85 2uwfA1 LEU 217 HG -0.05 0.02 -0.22 -0.04 1.64 1.35 2uwfA1 LEU 217 HD13 -0.02 -0.02 0.01 -0.04 0.93 0.87 2uwfA1 LEU 217 HD23 -0.01 -0.03 -0.07 -0.04 0.89 0.74 2uwfA1 VAL 218 H -0.03 0.70 -0.07 -0.55 8.24 8.29 2uwfA1 VAL 218 HA -0.13 -0.04 0.29 -0.75 4.13 3.50 2uwfA1 VAL 218 HB 0.02 0.11 0.13 -0.04 2.12 2.34 2uwfA1 VAL 218 HG13 -0.08 0.01 -0.13 -0.04 0.97 0.73 2uwfA1 VAL 218 HG23 -0.08 -0.01 0.00 -0.04 0.95 0.82 2uwfA1 LYS 219 H -0.26 0.78 -0.01 -0.55 8.42 8.38 2uwfA1 LYS 219 HA -0.18 0.05 0.41 -0.75 4.32 3.84 2uwfA1 LYS 219 HB2 -0.64 0.07 0.12 -0.04 1.87 1.38 2uwfA1 LYS 219 HB3 -0.29 0.02 0.13 -0.04 1.79 1.61 2uwfA1 LYS 219 HG2 -0.14 -0.04 -0.12 -0.04 1.46 1.13 2uwfA1 LYS 219 HG3 -0.17 0.02 0.05 -0.04 1.46 1.32 2uwfA1 LYS 219 HD2 -0.22 0.02 -0.02 -0.04 1.69 1.43 2uwfA1 LYS 219 HD3 -0.27 -0.02 -0.03 -0.04 1.68 1.32 2uwfA1 LYS 219 HE2 0.01 -0.04 -0.02 -0.04 2.99 2.90 2uwfA1 LYS 219 HE3 -0.05 -0.02 -0.04 -0.04 2.99 2.84 2uwfA1 ASP 220 H -0.12 0.54 -0.20 -0.55 8.40 8.06 2uwfA1 ASP 220 HA -0.07 -0.02 0.37 -0.75 4.63 4.16 2uwfA1 ASP 220 HB2 -0.06 0.12 0.23 -0.04 2.71 2.96 2uwfA1 ASP 220 HB3 -0.04 -0.10 0.06 -0.04 2.70 2.58 2uwfA1 LEU 221 H -0.10 0.68 -0.02 -0.55 8.37 8.39 2uwfA1 LEU 221 HA -0.08 -0.05 0.43 -0.75 4.35 3.89 2uwfA1 LEU 221 HB2 -0.17 0.13 0.13 -0.04 1.64 1.69 2uwfA1 LEU 221 HB3 -0.18 -0.06 -0.02 -0.04 1.64 1.34 2uwfA1 LEU 221 HG -0.09 0.22 0.04 -0.04 1.64 1.77 2uwfA1 LEU 221 HD13 -0.14 -0.04 -0.14 -0.04 0.93 0.58 2uwfA1 LEU 221 HD23 -0.06 -0.03 -0.03 -0.04 0.89 0.73 2uwfA1 LEU 222 H -0.12 0.72 -0.06 -0.55 8.37 8.35 2uwfA1 LEU 222 HA -0.11 0.10 0.53 -0.75 4.35 4.12 2uwfA1 LEU 222 HB2 -0.10 0.08 0.23 -0.04 1.64 1.81 2uwfA1 LEU 222 HB3 -0.08 -0.02 0.05 -0.04 1.64 1.55 2uwfA1 LEU 222 HG -0.14 -0.00 0.06 -0.04 1.64 1.52 2uwfA1 LEU 222 HD13 -0.07 -0.01 -0.04 -0.04 0.93 0.77 2uwfA1 LEU 222 HD23 -0.12 0.06 0.10 -0.04 0.89 0.89 2uwfA1 GLU 223 H -0.08 0.67 -0.01 -0.55 8.60 8.63 2uwfA1 GLU 223 HA -0.05 0.03 0.50 -0.75 4.29 4.02 2uwfA1 GLU 223 HB2 -0.05 0.12 0.15 -0.04 2.09 2.26 2uwfA1 GLU 223 HB3 -0.04 -0.09 0.07 -0.04 1.99 1.89 2uwfA1 GLU 223 HG2 -0.04 -0.05 0.06 -0.04 2.34 2.26 2uwfA1 GLU 223 HG3 -0.07 0.14 0.09 -0.04 2.34 2.46 2uwfA1 GLN 224 H -0.06 0.33 -0.37 -0.55 8.47 7.83 2uwfA1 GLN 224 HA -0.03 0.10 0.82 -0.75 4.36 4.50 2uwfA1 GLN 224 HB2 -0.05 0.05 0.12 -0.04 2.15 2.23 2uwfA1 GLN 224 HB3 -0.03 -0.09 0.17 -0.04 2.02 2.03 2uwfA1 GLN 224 HG2 -0.03 -0.05 -0.00 -0.04 2.40 2.29 2uwfA1 GLN 224 HG3 -0.04 0.30 0.04 -0.04 2.39 2.65 2uwfA1 GLN 224 HE21 -0.02 -0.11 -0.07 -0.04 6.97 6.73 2uwfA1 GLN 224 HE22 -0.03 0.08 -0.15 -0.04 7.69 7.56 2uwfA1 GLY 225 H -0.05 0.57 -0.39 -0.55 8.43 8.01 2uwfA1 GLY 225 HA2 -0.05 0.08 0.30 -0.51 4.01 3.83 2uwfA1 GLY 225 HA3 -0.04 -0.02 0.43 -0.51 4.01 3.88 2uwfA1 VAL 226 H -0.08 0.50 -0.11 -0.55 8.24 7.99 2uwfA1 VAL 226 HA -0.05 0.08 0.45 -0.75 4.13 3.85 2uwfA1 VAL 226 HB -0.17 -0.05 -0.07 -0.04 2.12 1.79 2uwfA1 VAL 226 HG13 -0.13 -0.03 -0.14 -0.04 0.97 0.63 2uwfA1 VAL 226 HG23 -0.06 -0.01 -0.00 -0.04 0.95 0.85 2uwfA1 PRO 227 HA -0.08 0.18 0.25 -0.51 4.44 4.28 2uwfA1 PRO 227 HB2 0.00 0.02 0.16 -0.04 2.28 2.42 2uwfA1 PRO 227 HB3 -0.03 0.06 0.06 -0.04 2.02 2.07 2uwfA1 PRO 227 HG2 0.07 0.08 -0.09 -0.04 2.03 2.05 2uwfA1 PRO 227 HG3 -0.00 0.02 0.04 -0.04 2.03 2.04 2uwfA1 PRO 227 HD2 0.04 -0.06 -0.06 -0.04 3.68 3.56 2uwfA1 PRO 227 HD3 -0.02 0.20 0.20 -0.04 3.65 3.99 2uwfA1 ILE 228 H -0.23 0.55 0.25 -0.55 8.25 8.27 2uwfA1 ILE 228 HA -0.32 0.06 0.77 -0.75 4.18 3.94 2uwfA1 ILE 228 HB -0.29 0.08 0.08 -0.04 1.89 1.72 2uwfA1 ILE 228 HG12 -1.67 -0.04 -0.25 -0.04 1.49 -0.52 2uwfA1 ILE 228 HG13 -0.56 0.13 -0.24 -0.04 1.21 0.50 2uwfA1 ILE 228 HG23 -0.29 -0.04 -0.07 -0.04 0.93 0.49 2uwfA1 ILE 228 HD13 -0.47 -0.03 -0.07 -0.04 0.88 0.26 2uwfA1 ASP 229 H -0.18 0.50 0.38 -0.55 8.40 8.56 2uwfA1 ASP 229 HA -0.12 0.22 0.80 -0.75 4.63 4.77 2uwfA1 ASP 229 HB2 -0.33 -0.07 0.14 -0.04 2.71 2.42 2uwfA1 ASP 229 HB3 -0.15 0.02 0.11 -0.04 2.70 2.64 2uwfA1 GLY 230 H -0.35 0.26 0.31 -0.55 8.43 8.10 2uwfA1 GLY 230 HA2 -0.08 0.19 0.70 -0.51 4.01 4.32 2uwfA1 GLY 230 HA3 -0.37 -0.00 0.21 -0.51 4.01 3.34 2uwfA1 VAL 231 H 0.13 0.74 0.31 -0.55 8.24 8.87 2uwfA1 VAL 231 HA -0.07 0.12 1.16 -0.75 4.13 4.58 2uwfA1 VAL 231 HB -0.33 0.06 0.09 -0.04 2.12 1.89 2uwfA1 VAL 231 HG13 -0.84 -0.03 -0.21 -0.04 0.97 -0.15 2uwfA1 VAL 231 HG23 -0.58 0.00 -0.14 -0.04 0.95 0.20 2uwfA1 GLY 232 H -0.07 0.98 0.46 -0.55 8.43 9.26 2uwfA1 GLY 232 HA2 -0.02 0.24 0.82 -0.51 4.01 4.55 2uwfA1 GLY 232 HA3 -0.07 -0.08 0.25 -0.51 4.01 3.59 2uwfA1 HIS 233 H 0.09 0.90 0.40 -0.55 8.41 9.26 2uwfA1 HIS 233 HA -0.14 0.13 0.87 -0.75 4.63 4.74 2uwfA1 HIS 233 HB2 -0.10 0.05 0.23 -0.04 3.26 3.40 2uwfA1 HIS 233 HB3 -0.19 -0.15 0.02 -0.04 3.20 2.84 2uwfA1 HIS 233 HD2 0.03 0.18 0.07 -0.04 6.97 7.21 2uwfA1 HIS 233 HE1 0.04 0.06 -0.27 -0.04 7.75 7.54 2uwfA1 GLN 234 H -0.10 0.75 0.33 -0.55 8.47 8.90 2uwfA1 GLN 234 HA -0.27 -0.03 0.27 -0.75 4.36 3.58 2uwfA1 GLN 234 HB2 -0.06 -0.15 0.10 -0.04 2.15 2.01 2uwfA1 GLN 234 HB3 -0.51 0.08 -0.05 -0.04 2.02 1.50 2uwfA1 GLN 234 HG2 -0.31 0.05 -0.14 -0.04 2.40 1.97 2uwfA1 GLN 234 HG3 -0.13 0.08 -0.18 -0.04 2.39 2.13 2uwfA1 GLN 234 HE21 0.02 0.03 -0.11 -0.04 6.97 6.86 2uwfA1 GLN 234 HE22 -0.13 -0.01 -0.23 -0.04 7.69 7.28 2uwfA1 SER 235 H -0.08 -0.04 -0.09 -0.55 8.46 7.70 2uwfA1 SER 235 HA -0.06 -0.05 0.22 -0.75 4.49 3.84 2uwfA1 SER 235 HB2 -0.07 0.11 0.06 -0.04 3.95 4.01 2uwfA1 SER 235 HB3 -0.02 0.03 0.11 -0.04 3.93 4.01 2uwfA1 HIS 236 H 0.01 -0.10 -0.08 -0.55 8.41 7.69 2uwfA1 HIS 236 HA 0.19 0.22 0.86 -0.75 4.63 5.15 2uwfA1 HIS 236 HB2 0.16 -0.13 0.19 -0.04 3.26 3.44 2uwfA1 HIS 236 HB3 0.29 0.05 0.06 -0.04 3.20 3.55 2uwfA1 HIS 236 HD2 -0.07 -0.14 -0.02 -0.04 6.97 6.70 2uwfA1 HIS 236 HE1 -0.49 -0.00 -0.01 -0.04 7.75 7.20 2uwfA1 ILE 237 H 0.18 0.69 0.36 -0.55 8.25 8.93 2uwfA1 ILE 237 HA 0.21 0.09 0.78 -0.75 4.18 4.50 2uwfA1 ILE 237 HB -0.04 0.18 0.29 -0.04 1.89 2.28 2uwfA1 ILE 237 HG12 0.05 0.14 0.06 -0.04 1.49 1.70 2uwfA1 ILE 237 HG13 -0.00 -0.03 -0.14 -0.04 1.21 1.00 2uwfA1 ILE 237 HG23 -0.09 -0.04 -0.24 -0.04 0.93 0.52 2uwfA1 ILE 237 HD13 -0.10 -0.01 -0.08 -0.04 0.88 0.66 2uwfA1 GLN 238 H 0.18 0.82 0.41 -0.55 8.47 9.34 2uwfA1 GLN 238 HA 0.11 0.20 0.82 -0.75 4.36 4.75 2uwfA1 GLN 238 HB2 0.31 -0.14 0.07 -0.04 2.15 2.35 2uwfA1 GLN 238 HB3 0.16 0.05 0.14 -0.04 2.02 2.32 2uwfA1 GLN 238 HG2 0.20 0.18 -0.05 -0.04 2.40 2.69 2uwfA1 GLN 238 HG3 0.37 -0.10 -0.40 -0.04 2.39 2.21 2uwfA1 GLN 238 HE21 -0.13 -0.06 -0.14 -0.04 6.97 6.60 2uwfA1 GLN 238 HE22 0.14 0.03 -0.20 -0.04 7.69 7.61 2uwfA1 ILE 239 H 0.06 0.31 0.09 -0.55 8.25 8.16 2uwfA1 ILE 239 HA -0.01 0.10 0.41 -0.75 4.18 3.93 2uwfA1 ILE 239 HB 0.04 -0.01 0.06 -0.04 1.89 1.95 2uwfA1 ILE 239 HG12 0.01 -0.03 -0.04 -0.04 1.49 1.40 2uwfA1 ILE 239 HG13 0.01 0.19 0.01 -0.04 1.21 1.38 2uwfA1 ILE 239 HG23 0.03 0.01 -0.18 -0.04 0.93 0.75 2uwfA1 ILE 239 HD13 0.04 -0.00 0.02 -0.04 0.88 0.89 2uwfA1 GLY 240 H 0.12 0.04 -0.22 -0.55 8.43 7.83 2uwfA1 GLY 240 HA2 0.07 0.22 0.71 -0.51 4.01 4.50 2uwfA1 GLY 240 HA3 0.10 -0.02 0.20 -0.51 4.01 3.79 2uwfA1 TRP 241 H 0.20 0.32 -0.28 -0.55 7.97 7.66 2uwfA1 TRP 241 HA 0.00 -0.00 0.44 -0.75 4.62 4.31 2uwfA1 TRP 241 HB2 0.02 0.13 -0.20 -0.04 3.23 3.14 2uwfA1 TRP 241 HB3 0.03 -0.05 -0.08 -0.04 3.23 3.09 2uwfA1 TRP 241 HD1 0.01 0.04 0.06 -0.04 7.22 7.29 2uwfA1 TRP 241 HE1 0.01 -0.01 0.01 -0.04 10.20 10.18 2uwfA1 TRP 241 HE3 0.03 -0.04 -0.28 -0.04 7.59 7.26 2uwfA1 TRP 241 HZ2 0.00 -0.03 -0.01 -0.04 7.44 7.36 2uwfA1 TRP 241 HZ3 0.02 0.14 -0.01 -0.04 7.13 7.24 2uwfA1 TRP 241 HH2 0.01 -0.08 0.01 -0.04 7.19 7.08 2uwfA1 PRO 242 HA -1.24 0.07 0.34 -0.51 4.44 3.10 2uwfA1 PRO 242 HB2 -0.62 0.05 -0.00 -0.04 2.28 1.67 2uwfA1 PRO 242 HB3 -1.67 -0.00 0.04 -0.04 2.02 0.34 2uwfA1 PRO 242 HG2 -0.48 0.10 -0.09 -0.04 2.03 1.52 2uwfA1 PRO 242 HG3 -0.77 -0.09 -0.01 -0.04 2.03 1.12 2uwfA1 PRO 242 HD2 -0.38 0.16 0.37 -0.04 3.68 3.78 2uwfA1 PRO 242 HD3 -0.97 0.08 0.09 -0.04 3.65 2.82 2uwfA1 SER 243 H -0.26 0.08 0.11 -0.55 8.46 7.85 2uwfA1 SER 243 HA -0.09 0.22 0.43 -0.75 4.49 4.30 2uwfA1 SER 243 HB2 -0.04 0.00 0.12 -0.04 3.95 3.99 2uwfA1 SER 243 HB3 -0.04 0.13 0.12 -0.04 3.93 4.10 2uwfA1 ILE 244 H -0.07 0.22 0.15 -0.55 8.25 8.01 2uwfA1 ILE 244 HA -0.09 0.13 0.45 -0.75 4.18 3.92 2uwfA1 ILE 244 HB -0.04 -0.04 0.14 -0.04 1.89 1.91 2uwfA1 ILE 244 HG12 -0.07 -0.01 0.04 -0.04 1.49 1.41 2uwfA1 ILE 244 HG13 -0.05 0.05 -0.02 -0.04 1.21 1.15 2uwfA1 ILE 244 HG23 -0.04 0.03 -0.07 -0.04 0.93 0.81 2uwfA1 ILE 244 HD13 -0.11 0.03 -0.10 -0.04 0.88 0.66 2uwfA1 GLU 245 H -0.04 0.08 -0.10 -0.55 8.60 7.99 2uwfA1 GLU 245 HA -0.03 0.13 0.33 -0.75 4.29 3.97 2uwfA1 GLU 245 HB2 -0.03 -0.07 0.06 -0.04 2.09 2.00 2uwfA1 GLU 245 HB3 -0.02 0.08 -0.01 -0.04 1.99 2.00 2uwfA1 GLU 245 HG2 -0.01 0.08 0.02 -0.04 2.34 2.39 2uwfA1 GLU 245 HG3 -0.02 0.02 0.03 -0.04 2.34 2.33 2uwfA1 ASP 246 H -0.08 0.01 -0.28 -0.55 8.40 7.50 2uwfA1 ASP 246 HA -0.07 0.09 0.46 -0.75 4.63 4.36 2uwfA1 ASP 246 HB2 -0.15 -0.09 0.11 -0.04 2.71 2.54 2uwfA1 ASP 246 HB3 -0.12 0.28 0.06 -0.04 2.70 2.87 2uwfA1 THR 247 H -0.14 0.46 -0.20 -0.55 8.28 7.86 2uwfA1 THR 247 HA -0.24 -0.04 0.45 -0.75 4.39 3.81 2uwfA1 THR 247 HB -0.08 0.10 0.14 -0.04 4.32 4.44 2uwfA1 THR 247 HG23 -0.10 -0.00 -0.12 -0.04 1.22 0.96 2uwfA1 ARG 248 H -0.02 0.78 -0.02 -0.55 8.46 8.65 2uwfA1 ARG 248 HA 0.17 0.04 0.36 -0.75 4.34 4.15 2uwfA1 ARG 248 HB2 0.02 0.02 0.08 -0.04 1.90 1.98 2uwfA1 ARG 248 HB3 0.00 0.05 0.12 -0.04 1.80 1.93 2uwfA1 ARG 248 HG2 0.04 -0.02 -0.15 -0.04 1.67 1.49 2uwfA1 ARG 248 HG3 0.06 0.03 -0.00 -0.04 1.67 1.72 2uwfA1 ARG 248 HD2 0.01 -0.02 -0.07 -0.04 3.22 3.10 2uwfA1 ARG 248 HD3 0.02 0.04 -0.05 -0.04 3.22 3.19 2uwfA1 ALA 249 H -0.04 0.55 -0.15 -0.55 8.40 8.22 2uwfA1 ALA 249 HA -0.03 0.01 0.30 -0.75 4.34 3.86 2uwfA1 ALA 249 HB3 -0.06 0.01 0.09 -0.04 1.41 1.40 2uwfA1 SER 250 H -0.09 0.41 -0.37 -0.55 8.46 7.86 2uwfA1 SER 250 HA -0.06 0.01 0.38 -0.75 4.49 4.06 2uwfA1 SER 250 HB2 -0.08 0.05 0.13 -0.04 3.95 4.01 2uwfA1 SER 250 HB3 -0.23 0.04 0.09 -0.04 3.93 3.78 2uwfA1 PHE 251 H -0.09 0.50 -0.02 -0.55 8.34 8.17 2uwfA1 PHE 251 HA 0.13 -0.00 0.31 -0.75 4.62 4.31 2uwfA1 PHE 251 HB2 -0.03 0.10 0.12 -0.04 3.15 3.29 2uwfA1 PHE 251 HB3 -0.02 0.05 -0.08 -0.04 3.06 2.97 2uwfA1 PHE 251 HD2 -0.16 0.01 -0.10 -0.04 7.28 6.99 2uwfA1 PHE 251 HE2 -0.31 -0.05 -0.16 -0.04 7.38 6.82 2uwfA1 PHE 251 HZ -0.34 -0.06 -0.11 -0.04 7.32 6.77 2uwfA1 GLU 252 H 0.12 0.48 -0.26 -0.55 8.60 8.39 2uwfA1 GLU 252 HA 0.09 0.07 0.37 -0.75 4.29 4.06 2uwfA1 GLU 252 HB2 0.00 0.05 0.06 -0.04 2.09 2.16 2uwfA1 GLU 252 HB3 0.01 -0.04 0.03 -0.04 1.99 1.95 2uwfA1 GLU 252 HG2 0.06 -0.00 -0.03 -0.04 2.34 2.33 2uwfA1 GLU 252 HG3 0.08 0.24 0.04 -0.04 2.34 2.66 2uwfA1 LYS 253 H -0.08 0.48 -0.19 -0.55 8.42 8.08 2uwfA1 LYS 253 HA -0.18 0.01 0.37 -0.75 4.32 3.75 2uwfA1 LYS 253 HB2 -0.34 0.22 0.19 -0.04 1.87 1.90 2uwfA1 LYS 253 HB3 -0.74 -0.02 -0.02 -0.04 1.79 0.98 2uwfA1 LYS 253 HG2 -0.64 -0.01 0.06 -0.04 1.46 0.83 2uwfA1 LYS 253 HG3 -0.36 -0.02 0.02 -0.04 1.46 1.06 2uwfA1 LYS 253 HD2 -0.46 -0.02 -0.07 -0.04 1.69 1.10 2uwfA1 LYS 253 HD3 -1.07 -0.01 -0.06 -0.04 1.68 0.50 2uwfA1 LYS 253 HE2 -0.39 -0.01 -0.03 -0.04 2.99 2.52 2uwfA1 LYS 253 HE3 -0.49 -0.05 -0.04 -0.04 2.99 2.37 2uwfA1 PHE 254 H 0.03 0.39 -0.21 -0.55 8.34 8.00 2uwfA1 PHE 254 HA 0.16 0.03 0.55 -0.75 4.62 4.60 2uwfA1 PHE 254 HB2 0.18 0.14 0.04 -0.04 3.15 3.47 2uwfA1 PHE 254 HB3 0.11 -0.01 -0.02 -0.04 3.06 3.10 2uwfA1 PHE 254 HD2 0.14 0.09 -0.06 -0.04 7.28 7.41 2uwfA1 PHE 254 HE2 0.04 -0.05 -0.16 -0.04 7.38 7.17 2uwfA1 PHE 254 HZ 0.00 -0.04 0.00 -0.04 7.32 7.25 2uwfA1 THR 255 H 0.19 0.39 -0.12 -0.55 8.28 8.18 2uwfA1 THR 255 HA 0.12 0.28 0.58 -0.75 4.39 4.62 2uwfA1 THR 255 HB 0.08 -0.01 0.18 -0.04 4.32 4.53 2uwfA1 THR 255 HG23 0.05 -0.01 -0.04 -0.04 1.22 1.17 2uwfA1 SER 256 H 0.07 0.45 -0.28 -0.55 8.46 8.15 2uwfA1 SER 256 HA 0.04 0.01 0.32 -0.75 4.49 4.11 2uwfA1 SER 256 HB2 0.03 -0.10 0.10 -0.04 3.95 3.94 2uwfA1 SER 256 HB3 0.01 0.07 0.14 -0.04 3.93 4.11 2uwfA1 LEU 257 H 0.13 0.25 -0.39 -0.55 8.37 7.81 2uwfA1 LEU 257 HA 0.05 0.08 0.77 -0.75 4.35 4.49 2uwfA1 LEU 257 HB2 0.12 0.09 0.05 -0.04 1.64 1.86 2uwfA1 LEU 257 HB3 0.01 -0.02 0.11 -0.04 1.64 1.70 2uwfA1 LEU 257 HG 0.23 0.06 0.00 -0.04 1.64 1.89 2uwfA1 LEU 257 HD13 -0.13 -0.03 -0.01 -0.04 0.93 0.72 2uwfA1 LEU 257 HD23 -0.11 -0.01 0.01 -0.04 0.89 0.74 2uwfA1 GLY 258 H 0.06 0.64 -0.33 -0.55 8.43 8.25 2uwfA1 GLY 258 HA2 0.04 0.02 0.32 -0.51 4.01 3.87 2uwfA1 GLY 258 HA3 0.02 0.01 0.62 -0.51 4.01 4.15 2uwfA1 LEU 259 H 0.09 0.35 0.05 -0.55 8.37 8.32 2uwfA1 LEU 259 HA 0.01 0.27 0.72 -0.75 4.35 4.59 2uwfA1 LEU 259 HB2 0.16 0.03 -0.06 -0.04 1.64 1.72 2uwfA1 LEU 259 HB3 0.03 -0.09 -0.08 -0.04 1.64 1.47 2uwfA1 LEU 259 HG 0.04 0.06 -0.36 -0.04 1.64 1.33 2uwfA1 LEU 259 HD13 0.10 -0.05 -0.11 -0.04 0.93 0.83 2uwfA1 LEU 259 HD23 -0.08 0.00 -0.37 -0.04 0.89 0.40 2uwfA1 ASP 260 H 0.02 0.52 0.39 -0.55 8.40 8.78 2uwfA1 ASP 260 HA 0.09 0.16 0.68 -0.75 4.63 4.80 2uwfA1 ASP 260 HB2 0.09 0.07 0.13 -0.04 2.71 2.96 2uwfA1 ASP 260 HB3 0.16 -0.08 0.04 -0.04 2.70 2.78 2uwfA1 ASN 261 H 0.09 0.50 0.36 -0.55 8.53 8.94 2uwfA1 ASN 261 HA 0.27 0.21 1.03 -0.75 4.76 5.51 2uwfA1 ASN 261 HB2 -0.02 0.22 0.19 -0.04 2.88 3.22 2uwfA1 ASN 261 HB3 0.30 -0.15 0.04 -0.04 2.79 2.94 2uwfA1 ASN 261 HD21 0.26 0.09 0.02 -0.04 7.03 7.36 2uwfA1 ASN 261 HD22 0.09 0.28 0.11 -0.04 7.74 8.18 2uwfA1 GLN 262 H 0.18 0.51 0.34 -0.55 8.47 8.96 2uwfA1 GLN 262 HA -0.13 0.19 0.78 -0.75 4.36 4.45 2uwfA1 GLN 262 HB2 -0.25 -0.12 -0.08 -0.04 2.15 1.67 2uwfA1 GLN 262 HB3 -0.20 0.07 -0.13 -0.04 2.02 1.72 2uwfA1 GLN 262 HG2 -0.12 0.02 0.01 -0.04 2.40 2.27 2uwfA1 GLN 262 HG3 -0.19 -0.01 -0.43 -0.04 2.39 1.72 2uwfA1 GLN 262 HE21 -0.16 0.02 -0.19 -0.04 6.97 6.61 2uwfA1 GLN 262 HE22 -0.06 0.03 -0.16 -0.04 7.69 7.45 2uwfA1 VAL 263 H -0.27 0.62 0.31 -0.55 8.24 8.36 2uwfA1 VAL 263 HA -0.07 0.18 0.89 -0.75 4.13 4.37 2uwfA1 VAL 263 HB -0.47 -0.01 0.27 -0.04 2.12 1.87 2uwfA1 VAL 263 HG13 -0.17 -0.00 -0.08 -0.04 0.97 0.67 2uwfA1 VAL 263 HG23 -0.42 0.01 -0.03 -0.04 0.95 0.46 2uwfA1 THR 264 H -0.12 0.41 0.08 -0.55 8.28 8.10 2uwfA1 THR 264 HA -0.08 0.18 0.43 -0.75 4.39 4.17 2uwfA1 THR 264 HB -0.13 0.00 -0.19 -0.04 4.32 3.95 2uwfA1 THR 264 HG23 -0.13 0.03 -0.35 -0.04 1.22 0.72 2uwfA1 GLU 265 H -0.18 0.27 0.14 -0.55 8.60 8.28 2uwfA1 GLU 265 HA 0.23 0.17 0.65 -0.75 4.29 4.59 2uwfA1 GLU 265 HB2 -0.83 -0.09 0.06 -0.04 2.09 1.19 2uwfA1 GLU 265 HB3 -0.90 -0.04 0.06 -0.04 1.99 1.06 2uwfA1 GLU 265 HG2 -1.00 0.22 -0.38 -0.04 2.34 1.14 2uwfA1 GLU 265 HG3 -0.51 -0.15 -0.42 -0.04 2.34 1.22 2uwfA1 LEU 266 H 0.04 0.56 0.09 -0.55 8.37 8.51 2uwfA1 LEU 266 HA 0.07 0.29 0.45 -0.75 4.35 4.41 2uwfA1 LEU 266 HB2 -0.08 -0.03 0.03 -0.04 1.64 1.53 2uwfA1 LEU 266 HB3 -0.16 -0.03 0.01 -0.04 1.64 1.42 2uwfA1 LEU 266 HG 0.44 -0.05 -0.22 -0.04 1.64 1.77 2uwfA1 LEU 266 HD13 0.13 0.03 0.02 -0.04 0.93 1.07 2uwfA1 LEU 266 HD23 -0.04 -0.00 -0.11 -0.04 0.89 0.69 2uwfA1 ASP 267 H 0.27 0.52 0.46 -0.55 8.40 9.11 2uwfA1 ASP 267 HA 0.51 0.13 0.21 -0.75 4.63 4.73 2uwfA1 ASP 267 HB2 0.18 -0.09 -0.02 -0.04 2.71 2.74 2uwfA1 ASP 267 HB3 0.47 0.06 0.13 -0.04 2.70 3.32 2uwfA1 MET 268 H 0.19 0.45 0.13 -0.55 8.47 8.70 2uwfA1 MET 268 HA 0.07 0.28 0.79 -0.75 4.52 4.91 2uwfA1 MET 268 HB2 -0.27 -0.02 -0.11 -0.04 2.15 1.71 2uwfA1 MET 268 HB3 -0.07 0.01 0.09 -0.04 2.03 2.02 2uwfA1 MET 268 HG2 -0.03 0.05 -0.46 -0.04 2.63 2.14 2uwfA1 MET 268 HG3 -0.09 0.08 -0.41 -0.04 2.56 2.10 2uwfA1 MET 268 HE3 -0.70 -0.01 -0.20 -0.04 2.10 1.14 2uwfA1 SER 269 H 0.10 0.57 0.18 -0.55 8.46 8.76 2uwfA1 SER 269 HA -0.03 -0.09 0.41 -0.75 4.49 4.02 2uwfA1 SER 269 HB2 0.06 -0.01 0.08 -0.04 3.95 4.04 2uwfA1 SER 269 HB3 0.10 0.19 0.13 -0.04 3.93 4.30 2uwfA1 LEU 270 H -0.27 0.01 0.17 -0.55 8.37 7.73 2uwfA1 LEU 270 HA -0.11 0.13 0.59 -0.75 4.35 4.21 2uwfA1 LEU 270 HB2 -1.13 -0.01 0.08 -0.04 1.64 0.54 2uwfA1 LEU 270 HB3 -0.29 0.02 0.10 -0.04 1.64 1.43 2uwfA1 LEU 270 HG -0.12 -0.14 0.10 -0.04 1.64 1.44 2uwfA1 LEU 270 HD13 -0.08 0.01 0.02 -0.04 0.93 0.84 2uwfA1 LEU 270 HD23 0.07 0.03 0.01 -0.04 0.89 0.96 2uwfA1 TYR 271 H -0.13 -0.04 -0.33 -0.55 8.29 7.24 2uwfA1 TYR 271 HA 0.01 0.20 0.65 -0.75 4.56 4.66 2uwfA1 TYR 271 HB2 -0.02 0.04 -0.04 -0.04 3.06 3.00 2uwfA1 TYR 271 HB3 -0.06 0.06 0.01 -0.04 2.98 2.95 2uwfA1 TYR 271 HD2 -0.05 0.06 -0.12 -0.04 7.15 7.00 2uwfA1 TYR 271 HE2 -0.09 0.09 0.03 -0.04 6.85 6.84 2uwfA1 GLY 272 H 0.12 0.17 0.04 -0.55 8.43 8.22 2uwfA1 GLY 272 HA2 0.10 0.10 0.66 -0.51 4.01 4.36 2uwfA1 GLY 272 HA3 0.04 0.04 0.31 -0.51 4.01 3.90 2uwfA1 TRP 273 H 0.05 0.20 0.06 -0.55 7.97 7.74 2uwfA1 TRP 273 HA -0.19 0.09 0.66 -0.75 4.62 4.42 2uwfA1 TRP 273 HB2 -0.18 0.01 -0.13 -0.04 3.23 2.89 2uwfA1 TRP 273 HB3 -0.26 -0.02 0.06 -0.04 3.23 2.97 2uwfA1 TRP 273 HD1 -0.17 -0.00 -0.19 -0.04 7.22 6.82 2uwfA1 TRP 273 HE1 -0.09 -0.01 -0.05 -0.04 10.20 10.01 2uwfA1 TRP 273 HE3 -0.17 0.07 -0.01 -0.04 7.59 7.44 2uwfA1 TRP 273 HZ2 -0.01 -0.00 -0.02 -0.04 7.44 7.36 2uwfA1 TRP 273 HZ3 -0.17 -0.01 -0.02 -0.04 7.13 6.88 2uwfA1 TRP 273 HH2 0.04 -0.01 -0.02 -0.04 7.19 7.16 2uwfA1 PRO 274 HA -2.22 0.09 0.34 -0.51 4.44 2.14 2uwfA1 PRO 274 HB2 -0.61 0.01 -0.07 -0.04 2.28 1.57 2uwfA1 PRO 274 HB3 -1.43 0.06 0.06 -0.04 2.02 0.67 2uwfA1 PRO 274 HG2 -0.38 0.05 0.08 -0.04 2.03 1.74 2uwfA1 PRO 274 HG3 -0.75 0.02 0.06 -0.04 2.03 1.31 2uwfA1 PRO 274 HD2 -0.32 0.07 0.32 -0.04 3.68 3.71 2uwfA1 PRO 274 HD3 -0.34 0.12 0.17 -0.04 3.65 3.56 2uwfA1 PRO 275 HA -0.19 0.13 0.39 -0.51 4.44 4.26 2uwfA1 PRO 275 HB2 -0.17 -0.04 0.14 -0.04 2.28 2.17 2uwfA1 PRO 275 HB3 0.02 0.04 0.04 -0.04 2.02 2.08 2uwfA1 PRO 275 HG2 -0.22 0.12 0.03 -0.04 2.03 1.91 2uwfA1 PRO 275 HG3 -0.14 -0.03 -0.07 -0.04 2.03 1.75 2uwfA1 PRO 275 HD2 -1.51 0.10 0.09 -0.04 3.68 2.33 2uwfA1 PRO 275 HD3 -1.22 0.06 0.15 -0.04 3.65 2.60 2uwfA1 THR 276 H -0.31 0.42 -0.33 -0.55 8.28 7.51 2uwfA1 THR 276 HA -0.29 0.06 0.75 -0.75 4.39 4.16 2uwfA1 THR 276 HB -0.18 -0.01 0.11 -0.04 4.32 4.20 2uwfA1 THR 276 HG23 -0.17 0.03 -0.07 -0.04 1.22 0.96 2uwfA1 GLY 277 H -0.22 0.11 0.04 -0.55 8.43 7.81 2uwfA1 GLY 277 HA2 -0.26 0.06 0.40 -0.51 4.01 3.69 2uwfA1 GLY 277 HA3 -0.22 0.07 0.27 -0.51 4.01 3.61 2uwfA1 ALA 278 H -0.39 0.21 0.08 -0.55 8.40 7.75 2uwfA1 ALA 278 HA -1.06 -0.00 0.40 -0.75 4.34 2.92 2uwfA1 ALA 278 HB3 -0.36 0.08 0.11 -0.04 1.41 1.20 2uwfA1 TYR 279 H 0.03 0.09 0.15 -0.55 8.29 8.01 2uwfA1 TYR 279 HA -0.04 0.08 0.61 -0.75 4.56 4.47 2uwfA1 TYR 279 HB2 0.03 -0.02 0.01 -0.04 3.06 3.05 2uwfA1 TYR 279 HB3 -0.04 -0.01 0.02 -0.04 2.98 2.91 2uwfA1 TYR 279 HD2 0.08 -0.05 0.02 -0.04 7.15 7.17 2uwfA1 TYR 279 HE2 0.01 0.01 0.04 -0.04 6.85 6.87 2uwfA1 THR 280 H 0.04 0.12 0.15 -0.55 8.28 8.05 2uwfA1 THR 280 HA -0.06 0.11 0.74 -0.75 4.39 4.43 2uwfA1 THR 280 HB -0.04 -0.00 0.07 -0.04 4.32 4.31 2uwfA1 THR 280 HG23 -0.06 0.05 -0.19 -0.04 1.22 0.98 2uwfA1 SER 281 H -0.01 0.12 0.03 -0.55 8.46 8.05 2uwfA1 SER 281 HA -0.15 0.21 0.79 -0.75 4.49 4.59 2uwfA1 SER 281 HB2 -0.02 0.15 0.02 -0.04 3.95 4.06 2uwfA1 SER 281 HB3 -0.01 0.03 -0.01 -0.04 3.93 3.90 2uwfA1 TYR 282 H -0.16 0.23 0.10 -0.55 8.29 7.91 2uwfA1 TYR 282 HA -0.06 0.11 0.41 -0.75 4.56 4.26 2uwfA1 TYR 282 HB2 -0.42 0.01 0.12 -0.04 3.06 2.73 2uwfA1 TYR 282 HB3 -0.20 0.02 0.04 -0.04 2.98 2.79 2uwfA1 TYR 282 HD2 -0.23 0.01 0.00 -0.04 7.15 6.89 2uwfA1 TYR 282 HE2 -0.01 0.12 -0.06 -0.04 6.85 6.86 2uwfA1 ASP 283 H 0.05 0.05 -0.18 -0.55 8.40 7.77 2uwfA1 ASP 283 HA 0.07 0.14 0.33 -0.75 4.63 4.42 2uwfA1 ASP 283 HB2 0.04 -0.01 0.00 -0.04 2.71 2.70 2uwfA1 ASP 283 HB3 0.05 0.08 0.06 -0.04 2.70 2.85 2uwfA1 ASP 284 H -0.04 0.11 -0.53 -0.55 8.40 7.40 2uwfA1 ASP 284 HA -0.05 0.12 0.48 -0.75 4.63 4.42 2uwfA1 ASP 284 HB2 0.01 0.11 0.09 -0.04 2.71 2.88 2uwfA1 ASP 284 HB3 0.10 0.02 0.10 -0.04 2.70 2.87 2uwfA1 ILE 285 H -0.22 0.35 -0.38 -0.55 8.25 7.45 2uwfA1 ILE 285 HA -1.15 0.06 0.47 -0.75 4.18 2.81 2uwfA1 ILE 285 HB -0.41 0.07 0.14 -0.04 1.89 1.65 2uwfA1 ILE 285 HG12 -0.46 -0.03 -0.01 -0.04 1.49 0.95 2uwfA1 ILE 285 HG13 -0.24 0.03 0.06 -0.04 1.21 1.03 2uwfA1 ILE 285 HG23 -1.03 0.01 -0.08 -0.04 0.93 -0.22 2uwfA1 ILE 285 HD13 0.14 -0.02 -0.02 -0.04 0.88 0.94 2uwfA1 PRO 286 HA -0.14 0.15 0.55 -0.51 4.44 4.48 2uwfA1 PRO 286 HB2 -0.07 -0.16 0.09 -0.04 2.28 2.09 2uwfA1 PRO 286 HB3 -0.07 0.12 0.16 -0.04 2.02 2.19 2uwfA1 PRO 286 HG2 -0.10 -0.09 0.15 -0.04 2.03 1.95 2uwfA1 PRO 286 HG3 -0.00 0.11 0.14 -0.04 2.03 2.24 2uwfA1 PRO 286 HD2 -0.59 0.02 0.28 -0.04 3.68 3.35 2uwfA1 PRO 286 HD3 -0.49 0.37 0.36 -0.04 3.65 3.85 2uwfA1 GLU 287 H -0.05 0.22 0.22 -0.55 8.60 8.44 2uwfA1 GLU 287 HA 0.04 0.11 0.43 -0.75 4.29 4.12 2uwfA1 GLU 287 HB2 0.03 0.04 0.18 -0.04 2.09 2.30 2uwfA1 GLU 287 HB3 0.06 0.03 0.01 -0.04 1.99 2.05 2uwfA1 GLU 287 HG2 0.16 0.05 0.06 -0.04 2.34 2.58 2uwfA1 GLU 287 HG3 0.09 0.06 0.06 -0.04 2.34 2.51 2uwfA1 GLU 288 H -0.02 0.12 -0.12 -0.55 8.60 8.03 2uwfA1 GLU 288 HA 0.04 0.11 0.53 -0.75 4.29 4.21 2uwfA1 GLU 288 HB2 -0.00 0.01 0.03 -0.04 2.09 2.09 2uwfA1 GLU 288 HB3 0.02 0.05 0.03 -0.04 1.99 2.05 2uwfA1 GLU 288 HG2 0.02 0.02 0.04 -0.04 2.34 2.38 2uwfA1 GLU 288 HG3 0.01 -0.02 0.06 -0.04 2.34 2.34 2uwfA1 LEU 289 H -0.09 0.28 -0.34 -0.55 8.37 7.68 2uwfA1 LEU 289 HA 0.01 0.09 0.55 -0.75 4.35 4.25 2uwfA1 LEU 289 HB2 -0.09 -0.03 0.13 -0.04 1.64 1.61 2uwfA1 LEU 289 HB3 -0.30 0.12 0.09 -0.04 1.64 1.50 2uwfA1 LEU 289 HG -0.04 -0.03 -0.01 -0.04 1.64 1.52 2uwfA1 LEU 289 HD13 0.03 0.03 0.08 -0.04 0.93 1.03 2uwfA1 LEU 289 HD23 -0.03 0.01 0.05 -0.04 0.89 0.88 2uwfA1 PHE 290 H -0.08 0.31 -0.07 -0.55 8.34 7.95 2uwfA1 PHE 290 HA 0.03 0.08 0.58 -0.75 4.62 4.56 2uwfA1 PHE 290 HB2 0.02 0.11 0.18 -0.04 3.15 3.43 2uwfA1 PHE 290 HB3 0.04 -0.06 0.03 -0.04 3.06 3.03 2uwfA1 PHE 290 HD2 0.02 0.01 0.01 -0.04 7.28 7.28 2uwfA1 PHE 290 HE2 0.02 0.03 0.00 -0.04 7.38 7.40 2uwfA1 PHE 290 HZ 0.06 -0.05 0.01 -0.04 7.32 7.29 2uwfA1 GLN 291 H 0.15 0.50 -0.16 -0.55 8.47 8.41 2uwfA1 GLN 291 HA 0.12 0.02 0.52 -0.75 4.36 4.27 2uwfA1 GLN 291 HB2 0.07 0.05 0.21 -0.04 2.15 2.44 2uwfA1 GLN 291 HB3 0.07 0.00 0.01 -0.04 2.02 2.06 2uwfA1 GLN 291 HG2 0.10 0.10 0.06 -0.04 2.40 2.62 2uwfA1 GLN 291 HG3 0.06 -0.01 0.02 -0.04 2.39 2.42 2uwfA1 GLN 291 HE21 0.08 0.03 0.01 -0.04 6.97 7.04 2uwfA1 GLN 291 HE22 0.07 0.00 0.03 -0.04 7.69 7.75 2uwfA1 ALA 292 H 0.08 0.51 -0.16 -0.55 8.40 8.28 2uwfA1 ALA 292 HA 0.05 -0.00 0.36 -0.75 4.34 4.00 2uwfA1 ALA 292 HB3 0.04 0.04 0.11 -0.04 1.41 1.57 2uwfA1 GLN 293 H 0.12 0.50 -0.23 -0.55 8.47 8.32 2uwfA1 GLN 293 HA 0.05 0.04 0.52 -0.75 4.36 4.22 2uwfA1 GLN 293 HB2 0.16 0.06 0.12 -0.04 2.15 2.45 2uwfA1 GLN 293 HB3 0.22 0.05 0.15 -0.04 2.02 2.41 2uwfA1 GLN 293 HG2 0.33 -0.07 -0.21 -0.04 2.40 2.41 2uwfA1 GLN 293 HG3 0.09 0.01 -0.03 -0.04 2.39 2.42 2uwfA1 GLN 293 HE21 0.15 0.42 0.26 -0.04 6.97 7.76 2uwfA1 GLN 293 HE22 0.12 0.12 0.00 -0.04 7.69 7.89 2uwfA1 ALA 294 H 0.15 0.58 -0.14 -0.55 8.40 8.44 2uwfA1 ALA 294 HA 0.18 -0.04 0.47 -0.75 4.34 4.20 2uwfA1 ALA 294 HB3 0.11 0.02 -0.09 -0.04 1.41 1.41 2uwfA1 ASP 295 H 0.08 0.63 -0.04 -0.55 8.40 8.52 2uwfA1 ASP 295 HA 0.04 0.01 0.37 -0.75 4.63 4.30 2uwfA1 ASP 295 HB2 0.03 0.15 0.15 -0.04 2.71 3.00 2uwfA1 ASP 295 HB3 -0.01 -0.05 -0.00 -0.04 2.70 2.61 2uwfA1 ARG 296 H 0.04 0.45 -0.31 -0.55 8.46 8.10 2uwfA1 ARG 296 HA -0.01 -0.03 0.34 -0.75 4.34 3.88 2uwfA1 ARG 296 HB2 -0.01 0.08 0.18 -0.04 1.90 2.11 2uwfA1 ARG 296 HB3 -0.04 0.07 0.20 -0.04 1.80 1.98 2uwfA1 ARG 296 HG2 -0.07 0.05 0.06 -0.04 1.67 1.67 2uwfA1 ARG 296 HG3 -0.12 -0.09 -0.17 -0.04 1.67 1.25 2uwfA1 ARG 296 HD2 -0.06 -0.17 0.04 -0.04 3.22 3.00 2uwfA1 ARG 296 HD3 -0.03 -0.00 0.08 -0.04 3.22 3.23 2uwfA1 TYR 297 H 0.14 0.58 -0.07 -0.55 8.29 8.39 2uwfA1 TYR 297 HA 0.14 -0.02 0.46 -0.75 4.56 4.39 2uwfA1 TYR 297 HB2 0.06 0.10 0.18 -0.04 3.06 3.35 2uwfA1 TYR 297 HB3 0.05 0.04 -0.08 -0.04 2.98 2.94 2uwfA1 TYR 297 HD2 0.26 -0.01 -0.08 -0.04 7.15 7.27 2uwfA1 TYR 297 HE2 0.37 0.02 -0.17 -0.04 6.85 7.04 2uwfA1 ASP 298 H 0.15 0.63 -0.20 -0.55 8.40 8.44 2uwfA1 ASP 298 HA 0.13 0.15 0.38 -0.75 4.63 4.54 2uwfA1 ASP 298 HB2 0.11 -0.00 0.10 -0.04 2.71 2.87 2uwfA1 ASP 298 HB3 0.06 0.15 0.18 -0.04 2.70 3.05 2uwfA1 GLN 299 H 0.03 0.47 -0.15 -0.55 8.47 8.26 2uwfA1 GLN 299 HA 0.02 0.01 0.39 -0.75 4.36 4.03 2uwfA1 GLN 299 HB2 -0.03 0.15 0.15 -0.04 2.15 2.37 2uwfA1 GLN 299 HB3 -0.03 -0.12 0.00 -0.04 2.02 1.83 2uwfA1 GLN 299 HG2 -0.06 -0.08 0.02 -0.04 2.40 2.23 2uwfA1 GLN 299 HG3 -0.07 0.25 0.09 -0.04 2.39 2.62 2uwfA1 GLN 299 HE21 -0.02 -0.03 -0.01 -0.04 6.97 6.88 2uwfA1 GLN 299 HE22 -0.02 -0.04 -0.00 -0.04 7.69 7.58 2uwfA1 LEU 300 H -0.01 0.66 -0.09 -0.55 8.37 8.39 2uwfA1 LEU 300 HA -0.28 -0.07 0.46 -0.75 4.35 3.70 2uwfA1 LEU 300 HB2 -0.13 0.10 0.12 -0.04 1.64 1.70 2uwfA1 LEU 300 HB3 0.03 0.09 0.17 -0.04 1.64 1.88 2uwfA1 LEU 300 HG -1.20 -0.01 -0.14 -0.04 1.64 0.25 2uwfA1 LEU 300 HD13 -0.23 -0.02 -0.02 -0.04 0.93 0.62 2uwfA1 LEU 300 HD23 0.01 -0.01 -0.07 -0.04 0.89 0.79 2uwfA1 PHE 301 H 0.24 0.77 -0.05 -0.55 8.34 8.74 2uwfA1 PHE 301 HA -0.21 -0.04 0.44 -0.75 4.62 4.05 2uwfA1 PHE 301 HB2 0.07 0.15 0.14 -0.04 3.15 3.47 2uwfA1 PHE 301 HB3 0.13 0.08 0.04 -0.04 3.06 3.27 2uwfA1 PHE 301 HD2 -0.11 0.09 0.03 -0.04 7.28 7.25 2uwfA1 PHE 301 HE2 0.15 -0.01 -0.06 -0.04 7.38 7.42 2uwfA1 PHE 301 HZ -0.03 -0.04 -0.08 -0.04 7.32 7.12 2uwfA1 GLU 302 H 0.08 0.57 -0.19 -0.55 8.60 8.53 2uwfA1 GLU 302 HA 0.11 0.09 0.66 -0.75 4.29 4.39 2uwfA1 GLU 302 HB2 0.04 0.05 0.20 -0.04 2.09 2.34 2uwfA1 GLU 302 HB3 0.04 -0.11 0.00 -0.04 1.99 1.88 2uwfA1 GLU 302 HG2 0.02 -0.01 0.04 -0.04 2.34 2.34 2uwfA1 GLU 302 HG3 0.04 0.15 0.05 -0.04 2.34 2.54 2uwfA1 LEU 303 H -0.08 0.60 -0.08 -0.55 8.37 8.27 2uwfA1 LEU 303 HA -0.01 -0.03 0.47 -0.75 4.35 4.03 2uwfA1 LEU 303 HB2 -0.08 -0.05 0.15 -0.04 1.64 1.62 2uwfA1 LEU 303 HB3 -0.25 0.28 0.25 -0.04 1.64 1.88 2uwfA1 LEU 303 HG 0.09 0.04 -0.30 -0.04 1.64 1.43 2uwfA1 LEU 303 HD13 0.03 -0.03 -0.01 -0.04 0.93 0.89 2uwfA1 LEU 303 HD23 0.03 -0.04 -0.04 -0.04 0.89 0.79 2uwfA1 TYR 304 H -0.27 0.57 -0.02 -0.55 8.29 8.02 2uwfA1 TYR 304 HA -0.33 -0.03 0.23 -0.75 4.56 3.68 2uwfA1 TYR 304 HB2 -0.28 0.12 0.10 -0.04 3.06 2.96 2uwfA1 TYR 304 HB3 -0.77 0.04 -0.09 -0.04 2.98 2.12 2uwfA1 TYR 304 HD2 -1.05 0.01 -0.09 -0.04 7.15 5.98 2uwfA1 TYR 304 HE2 -0.44 -0.06 -0.09 -0.04 6.85 6.21 2uwfA1 GLU 305 H 0.22 0.48 -0.34 -0.55 8.60 8.42 2uwfA1 GLU 305 HA 0.28 0.03 0.39 -0.75 4.29 4.24 2uwfA1 GLU 305 HB2 0.30 0.19 0.18 -0.04 2.09 2.72 2uwfA1 GLU 305 HB3 0.15 0.05 0.13 -0.04 1.99 2.29 2uwfA1 GLU 305 HG2 0.14 -0.03 0.07 -0.04 2.34 2.48 2uwfA1 GLU 305 HG3 0.21 0.04 0.02 -0.04 2.34 2.57 2uwfA1 GLU 306 H 0.07 0.58 -0.07 -0.55 8.60 8.63 2uwfA1 GLU 306 HA 0.05 -0.04 0.46 -0.75 4.29 4.00 2uwfA1 GLU 306 HB2 0.02 -0.05 0.14 -0.04 2.09 2.15 2uwfA1 GLU 306 HB3 0.02 0.13 0.25 -0.04 1.99 2.34 2uwfA1 GLU 306 HG2 0.01 0.02 -0.25 -0.04 2.34 2.09 2uwfA1 GLU 306 HG3 0.02 -0.04 0.05 -0.04 2.34 2.32 2uwfA1 LEU 307 H 0.02 0.57 -0.40 -0.55 8.37 8.01 2uwfA1 LEU 307 HA -0.02 0.08 0.69 -0.75 4.35 4.35 2uwfA1 LEU 307 HB2 -0.20 0.08 0.00 -0.04 1.64 1.48 2uwfA1 LEU 307 HB3 -0.20 -0.10 0.12 -0.04 1.64 1.42 2uwfA1 LEU 307 HG -0.00 0.03 -0.11 -0.04 1.64 1.52 2uwfA1 LEU 307 HD13 0.05 -0.04 -0.07 -0.04 0.93 0.83 2uwfA1 LEU 307 HD23 0.01 0.01 -0.12 -0.04 0.89 0.75 2uwfA1 SER 308 H 0.06 0.48 -0.24 -0.55 8.46 8.21 2uwfA1 SER 308 HA 0.10 0.03 0.23 -0.75 4.49 4.09 2uwfA1 SER 308 HB2 0.20 0.07 0.12 -0.04 3.95 4.30 2uwfA1 SER 308 HB3 0.20 0.01 0.16 -0.04 3.93 4.26 2uwfA1 ALA 309 H 0.02 0.08 -0.20 -0.55 8.40 7.75 2uwfA1 ALA 309 HA 0.02 0.14 0.55 -0.75 4.34 4.31 2uwfA1 ALA 309 HB3 0.01 -0.02 0.08 -0.04 1.41 1.44 2uwfA1 THR 310 H -0.04 0.48 -0.28 -0.55 8.28 7.89 2uwfA1 THR 310 HA 0.00 0.17 0.71 -0.75 4.39 4.52 2uwfA1 THR 310 HB 0.02 0.00 0.12 -0.04 4.32 4.42 2uwfA1 THR 310 HG23 -0.00 -0.02 -0.06 -0.04 1.22 1.09 2uwfA1 ILE 311 H -0.06 0.45 -0.24 -0.55 8.25 7.85 2uwfA1 ILE 311 HA -0.15 0.24 1.02 -0.75 4.18 4.53 2uwfA1 ILE 311 HB -0.23 0.12 0.03 -0.04 1.89 1.77 2uwfA1 ILE 311 HG12 -0.87 -0.08 -0.20 -0.04 1.49 0.30 2uwfA1 ILE 311 HG13 -0.53 0.09 -0.29 -0.04 1.21 0.45 2uwfA1 ILE 311 HG23 -0.57 -0.08 -0.22 -0.04 0.93 0.03 2uwfA1 ILE 311 HD13 -0.92 -0.01 -0.13 -0.04 0.88 -0.22 2uwfA1 SER 312 H -0.02 0.38 0.30 -0.55 8.46 8.57 2uwfA1 SER 312 HA 0.06 0.32 0.83 -0.75 4.49 4.95 2uwfA1 SER 312 HB2 0.05 -0.05 0.06 -0.04 3.95 3.98 2uwfA1 SER 312 HB3 0.06 0.06 0.05 -0.04 3.93 4.05 2uwfA1 SER 313 H -0.12 0.17 0.06 -0.55 8.46 8.02 2uwfA1 SER 313 HA 0.02 0.17 0.78 -0.75 4.49 4.71 2uwfA1 SER 313 HB2 -0.03 0.08 -0.42 -0.04 3.95 3.54 2uwfA1 SER 313 HB3 -0.12 -0.09 -0.10 -0.04 3.93 3.58 2uwfA1 VAL 314 H -0.08 0.77 0.16 -0.55 8.24 8.54 2uwfA1 VAL 314 HA -0.36 0.10 0.89 -0.75 4.13 4.01 2uwfA1 VAL 314 HB -0.35 0.11 0.12 -0.04 2.12 1.95 2uwfA1 VAL 314 HG13 -0.54 -0.03 -0.16 -0.04 0.97 0.20 2uwfA1 VAL 314 HG23 -1.33 -0.01 -0.19 -0.04 0.95 -0.62 2uwfA1 THR 315 H -0.16 0.59 0.02 -0.55 8.28 8.18 2uwfA1 THR 315 HA 0.07 0.11 0.83 -0.75 4.39 4.64 2uwfA1 THR 315 HB 0.01 0.02 0.01 -0.04 4.32 4.32 2uwfA1 THR 315 HG23 0.11 -0.04 -0.53 -0.04 1.22 0.72 2uwfA1 PHE 316 H 0.29 0.58 0.22 -0.55 8.34 8.88 2uwfA1 PHE 316 HA 0.31 0.12 0.75 -0.75 4.62 5.05 2uwfA1 PHE 316 HB2 0.08 0.12 0.27 -0.04 3.15 3.58 2uwfA1 PHE 316 HB3 0.15 -0.02 0.02 -0.04 3.06 3.17 2uwfA1 PHE 316 HD2 0.44 0.14 -0.01 -0.04 7.28 7.81 2uwfA1 PHE 316 HE2 0.32 0.02 -0.07 -0.04 7.38 7.62 2uwfA1 PHE 316 HZ 0.04 0.02 -0.07 -0.04 7.32 7.28 2uwfA1 TRP 317 H 0.76 0.70 -0.05 -0.55 7.97 8.84 2uwfA1 TRP 317 HA 0.12 0.10 0.57 -0.75 4.62 4.66 2uwfA1 TRP 317 HB2 0.21 0.02 -0.15 -0.04 3.23 3.27 2uwfA1 TRP 317 HB3 0.47 -0.06 0.05 -0.04 3.23 3.65 2uwfA1 TRP 317 HD1 0.19 -0.15 0.05 -0.04 7.22 7.28 2uwfA1 TRP 317 HE1 -0.21 -0.04 -0.02 -0.04 10.20 9.89 2uwfA1 TRP 317 HE3 -0.08 0.18 -0.07 -0.04 7.59 7.58 2uwfA1 TRP 317 HZ2 -0.25 0.13 0.03 -0.04 7.44 7.30 2uwfA1 TRP 317 HZ3 -0.30 0.06 -0.17 -0.04 7.13 6.68 2uwfA1 TRP 317 HH2 -1.02 0.07 -0.12 -0.04 7.19 6.09 2uwfA1 GLY 318 H -0.04 0.44 -0.21 -0.55 8.43 8.07 2uwfA1 GLY 318 HA2 -0.18 0.23 0.39 -0.51 4.01 3.95 2uwfA1 GLY 318 HA3 0.09 0.14 0.72 -0.51 4.01 4.44 2uwfA1 ILE 319 H -0.19 0.08 0.21 -0.55 8.25 7.81 2uwfA1 ILE 319 HA -0.31 0.25 0.81 -0.75 4.18 4.18 2uwfA1 ILE 319 HB -0.06 -0.11 0.19 -0.04 1.89 1.87 2uwfA1 ILE 319 HG12 -0.34 0.09 -0.08 -0.04 1.49 1.12 2uwfA1 ILE 319 HG13 -0.30 -0.03 -0.18 -0.04 1.21 0.66 2uwfA1 ILE 319 HG23 0.02 0.01 -0.14 -0.04 0.93 0.78 2uwfA1 ILE 319 HD13 -0.21 -0.00 0.00 -0.04 0.88 0.63 2uwfA1 ALA 320 H 0.07 0.13 0.23 -0.55 8.40 8.29 2uwfA1 ALA 320 HA 0.28 0.26 0.81 -0.75 4.34 4.93 2uwfA1 ALA 320 HB3 0.27 0.06 -0.07 -0.04 1.41 1.63 2uwfA1 ASP 321 H 0.22 0.51 0.05 -0.55 8.40 8.63 2uwfA1 ASP 321 HA 0.31 0.06 0.19 -0.75 4.63 4.44 2uwfA1 ASP 321 HB2 0.02 -0.18 0.01 -0.04 2.71 2.53 2uwfA1 ASP 321 HB3 0.13 0.11 0.17 -0.04 2.70 3.07 2uwfA1 ASN 322 H 0.10 0.06 -0.47 -0.55 8.53 7.67 2uwfA1 ASN 322 HA 0.14 0.10 0.56 -0.75 4.76 4.80 2uwfA1 ASN 322 HB2 0.08 0.01 0.17 -0.04 2.88 3.10 2uwfA1 ASN 322 HB3 -0.05 0.13 0.22 -0.04 2.79 3.04 2uwfA1 ASN 322 HD21 0.17 -0.05 -0.02 -0.04 7.03 7.09 2uwfA1 ASN 322 HD22 0.02 0.02 0.03 -0.04 7.74 7.77 2uwfA1 HIS 323 H 0.33 0.46 -0.24 -0.55 8.41 8.42 2uwfA1 HIS 323 HA 0.19 0.12 0.77 -0.75 4.63 4.96 2uwfA1 HIS 323 HB2 0.16 0.07 -0.07 -0.04 3.26 3.38 2uwfA1 HIS 323 HB3 0.14 -0.07 0.15 -0.04 3.20 3.38 2uwfA1 HIS 323 HD2 0.09 0.01 -0.13 -0.04 6.97 6.89 2uwfA1 HIS 323 HE1 0.21 -0.00 -0.06 -0.04 7.75 7.86 2uwfA1 THR 324 H 0.06 0.30 0.10 -0.55 8.28 8.19 2uwfA1 THR 324 HA 0.40 0.28 0.76 -0.75 4.39 5.08 2uwfA1 THR 324 HB 0.08 -0.25 -0.05 -0.04 4.32 4.06 2uwfA1 THR 324 HG23 0.15 -0.04 -0.03 -0.04 1.22 1.27 2uwfA1 TRP 325 H 0.73 0.33 0.13 -0.55 7.97 8.61 2uwfA1 TRP 325 HA 0.09 0.08 0.47 -0.75 4.62 4.50 2uwfA1 TRP 325 HB2 0.18 0.03 0.10 -0.04 3.23 3.50 2uwfA1 TRP 325 HB3 0.29 0.07 0.11 -0.04 3.23 3.66 2uwfA1 TRP 325 HD1 0.49 0.03 0.09 -0.04 7.22 7.78 2uwfA1 TRP 325 HE1 0.22 0.08 -0.04 -0.04 10.20 10.42 2uwfA1 TRP 325 HE3 0.10 -0.01 -0.07 -0.04 7.59 7.57 2uwfA1 TRP 325 HZ2 -0.71 0.03 -0.05 -0.04 7.44 6.67 2uwfA1 TRP 325 HZ3 0.01 0.02 -0.06 -0.04 7.13 7.05 2uwfA1 TRP 325 HH2 -0.28 0.01 -0.05 -0.04 7.19 6.82 2uwfA1 LEU 326 H -0.25 0.09 -0.44 -0.55 8.37 7.22 2uwfA1 LEU 326 HA -0.82 0.10 0.40 -0.75 4.35 3.28 2uwfA1 LEU 326 HB2 -0.17 0.01 -0.07 -0.04 1.64 1.37 2uwfA1 LEU 326 HB3 -0.20 0.02 -0.02 -0.04 1.64 1.40 2uwfA1 LEU 326 HG -0.60 -0.02 -0.05 -0.04 1.64 0.92 2uwfA1 LEU 326 HD13 -0.01 0.01 -0.13 -0.04 0.93 0.76 2uwfA1 LEU 326 HD23 -0.59 0.02 -0.06 -0.04 0.89 0.22 2uwfA1 ASP 327 H -0.02 0.41 -0.26 -0.55 8.40 7.98 2uwfA1 ASP 327 HA 0.01 0.06 0.58 -0.75 4.63 4.52 2uwfA1 ASP 327 HB2 0.05 0.09 0.19 -0.04 2.71 3.00 2uwfA1 ASP 327 HB3 0.04 0.10 0.07 -0.04 2.70 2.87 2uwfA1 ASP 328 H 0.03 0.16 -0.10 -0.55 8.40 7.94 2uwfA1 ASP 328 HA 0.03 0.09 0.42 -0.75 4.63 4.41 2uwfA1 ASP 328 HB2 0.09 0.01 0.05 -0.04 2.71 2.82 2uwfA1 ASP 328 HB3 0.10 -0.03 0.11 -0.04 2.70 2.85 2uwfA1 ARG 329 H -0.11 0.27 -0.32 -0.55 8.46 7.75 2uwfA1 ARG 329 HA 0.10 0.06 0.36 -0.75 4.34 4.10 2uwfA1 ARG 329 HB2 -0.25 0.00 0.02 -0.04 1.90 1.64 2uwfA1 ARG 329 HB3 -0.27 0.04 0.03 -0.04 1.80 1.55 2uwfA1 ARG 329 HG2 0.12 0.03 -0.10 -0.04 1.67 1.69 2uwfA1 ARG 329 HG3 0.35 -0.01 0.07 -0.04 1.67 2.04 2uwfA1 ARG 329 HD2 0.60 -0.00 -0.02 -0.04 3.22 3.75 2uwfA1 ARG 329 HD3 0.14 -0.02 -0.04 -0.04 3.22 3.27 2uwfA1 ALA 330 H -0.04 0.35 -0.36 -0.55 8.40 7.81 2uwfA1 ALA 330 HA -0.06 0.11 0.55 -0.75 4.34 4.19 2uwfA1 ALA 330 HB3 -0.02 0.03 -0.10 -0.04 1.41 1.28 2uwfA1 ARG 331 H -0.02 0.56 -0.21 -0.55 8.46 8.24 2uwfA1 ARG 331 HA -0.05 0.12 0.04 -0.75 4.34 3.70 2uwfA1 ARG 331 HB2 -0.01 0.06 0.01 -0.04 1.90 1.92 2uwfA1 ARG 331 HB3 -0.02 -0.06 -0.18 -0.04 1.80 1.50 2uwfA1 ARG 331 HG2 -0.03 -0.14 -0.47 -0.04 1.67 1.00 2uwfA1 ARG 331 HG3 -0.01 0.26 -0.08 -0.04 1.67 1.79 2uwfA1 ARG 331 HD2 -0.00 0.15 -0.03 -0.04 3.22 3.30 2uwfA1 ARG 331 HD3 0.00 -0.05 -0.03 -0.04 3.22 3.10 2uwfA1 GLU 332 H -0.01 0.51 -0.29 -0.55 8.60 8.26 2uwfA1 GLU 332 HA -0.12 0.01 0.45 -0.75 4.29 3.88 2uwfA1 GLU 332 HB2 -0.02 0.15 0.11 -0.04 2.09 2.30 2uwfA1 GLU 332 HB3 -0.05 0.11 0.07 -0.04 1.99 2.07 2uwfA1 GLU 332 HG2 -0.41 -0.00 -0.06 -0.04 2.34 1.82 2uwfA1 GLU 332 HG3 -0.11 -0.03 0.02 -0.04 2.34 2.18 2uwfA1 TYR 333 H 0.03 0.39 -0.40 -0.55 8.29 7.76 2uwfA1 TYR 333 HA -0.14 0.11 0.65 -0.75 4.56 4.42 2uwfA1 TYR 333 HB2 -0.25 0.19 0.04 -0.04 3.06 3.00 2uwfA1 TYR 333 HB3 -0.28 -0.09 -0.01 -0.04 2.98 2.56 2uwfA1 TYR 333 HD2 -0.22 0.22 0.05 -0.04 7.15 7.16 2uwfA1 TYR 333 HE2 -0.03 -0.03 -0.01 -0.04 6.85 6.73 2uwfA1 ASN 334 H -0.07 0.21 -0.40 -0.55 8.53 7.72 2uwfA1 ASN 334 HA -0.09 0.12 0.85 -0.75 4.76 4.89 2uwfA1 ASN 334 HB2 -0.10 0.25 0.15 -0.04 2.88 3.13 2uwfA1 ASN 334 HB3 -0.11 -0.05 0.26 -0.04 2.79 2.84 2uwfA1 ASN 334 HD21 -0.27 0.52 0.22 -0.04 7.03 7.46 2uwfA1 ASN 334 HD22 -0.13 0.69 0.11 -0.04 7.74 8.37 2uwfA1 ASN 335 H -0.09 0.19 -0.17 -0.55 8.53 7.92 2uwfA1 ASN 335 HA -0.07 0.03 0.31 -0.75 4.76 4.28 2uwfA1 ASN 335 HB2 -0.06 0.12 -0.16 -0.04 2.88 2.74 2uwfA1 ASN 335 HB3 -0.05 -0.02 0.18 -0.04 2.79 2.86 2uwfA1 ASN 335 HD21 -0.06 -0.00 -0.06 -0.04 7.03 6.87 2uwfA1 ASN 335 HD22 -0.06 0.03 -0.19 -0.04 7.74 7.48 2uwfA1 GLY 336 H -0.06 0.57 -0.18 -0.55 8.43 8.21 2uwfA1 GLY 336 HA2 -0.04 -0.04 0.23 -0.51 4.01 3.65 2uwfA1 GLY 336 HA3 -0.03 0.07 0.43 -0.51 4.01 3.96 2uwfA1 VAL 337 H -0.05 0.47 -0.17 -0.55 8.24 7.94 2uwfA1 VAL 337 HA -0.03 0.13 0.91 -0.75 4.13 4.38 2uwfA1 VAL 337 HB -0.05 0.08 0.03 -0.04 2.12 2.13 2uwfA1 VAL 337 HG13 -0.04 -0.02 -0.04 -0.04 0.97 0.83 2uwfA1 VAL 337 HG23 -0.03 0.01 -0.14 -0.04 0.95 0.75 2uwfA1 GLY 338 H -0.05 0.12 0.09 -0.55 8.43 8.05 2uwfA1 GLY 338 HA2 -0.07 0.15 0.28 -0.51 4.01 3.86 2uwfA1 GLY 338 HA3 -0.08 0.17 0.62 -0.51 4.01 4.22 2uwfA1 VAL 339 H -0.00 0.60 0.22 -0.55 8.24 8.50 2uwfA1 VAL 339 HA -0.03 0.07 0.76 -0.75 4.13 4.19 2uwfA1 VAL 339 HB -0.25 0.01 -0.30 -0.04 2.12 1.54 2uwfA1 VAL 339 HG13 -0.49 -0.03 -0.39 -0.04 0.97 0.03 2uwfA1 VAL 339 HG23 -0.36 0.01 -0.09 -0.04 0.95 0.47 2uwfA1 ASP 340 H 0.08 0.21 0.14 -0.55 8.40 8.29 2uwfA1 ASP 340 HA 0.09 0.15 0.54 -0.75 4.63 4.64 2uwfA1 ASP 340 HB2 0.09 0.16 -0.20 -0.04 2.71 2.72 2uwfA1 ASP 340 HB3 -0.00 -0.07 -0.13 -0.04 2.70 2.45 2uwfA1 ALA 341 H 0.02 0.14 -0.00 -0.55 8.40 8.02 2uwfA1 ALA 341 HA 0.14 0.17 0.78 -0.75 4.34 4.68 2uwfA1 ALA 341 HB3 0.32 0.01 0.05 -0.04 1.41 1.75 2uwfA1 PRO 342 HA 0.01 0.49 0.52 -0.51 4.44 4.95 2uwfA1 PRO 342 HB2 -0.16 -0.12 -0.03 -0.04 2.28 1.93 2uwfA1 PRO 342 HB3 -0.10 -0.04 -0.24 -0.04 2.02 1.60 2uwfA1 PRO 342 HG2 -1.77 0.11 -0.19 -0.04 2.03 0.13 2uwfA1 PRO 342 HG3 -0.34 -0.05 -0.12 -0.04 2.03 1.48 2uwfA1 PRO 342 HD2 -0.27 0.09 -0.01 -0.04 3.68 3.45 2uwfA1 PRO 342 HD3 -0.09 0.10 -0.32 -0.04 3.65 3.30 2uwfA1 PHE 343 H -0.04 0.02 -0.24 -0.55 8.34 7.53 2uwfA1 PHE 343 HA 0.01 0.25 0.68 -0.75 4.62 4.81 2uwfA1 PHE 343 HB2 -0.00 0.05 -0.04 -0.04 3.15 3.11 2uwfA1 PHE 343 HB3 -0.20 -0.02 0.09 -0.04 3.06 2.89 2uwfA1 PHE 343 HD2 0.13 -0.05 -0.51 -0.04 7.28 6.81 2uwfA1 PHE 343 HE2 0.33 0.16 -0.20 -0.04 7.38 7.63 2uwfA1 PHE 343 HZ 0.34 0.22 -0.35 -0.04 7.32 7.49 2uwfA1 VAL 344 H -0.46 0.24 0.10 -0.55 8.24 7.57 2uwfA1 VAL 344 HA -0.36 0.08 0.72 -0.75 4.13 3.82 2uwfA1 VAL 344 HB -0.57 -0.09 0.01 -0.04 2.12 1.42 2uwfA1 VAL 344 HG13 -0.80 0.03 -0.14 -0.04 0.97 0.02 2uwfA1 VAL 344 HG23 -1.35 0.04 -0.08 -0.04 0.95 -0.48 2uwfA1 PHE 345 H -0.19 0.12 -0.04 -0.55 8.34 7.67 2uwfA1 PHE 345 HA -0.19 0.24 0.84 -0.75 4.62 4.75 2uwfA1 PHE 345 HB2 -0.04 0.05 0.14 -0.04 3.15 3.26 2uwfA1 PHE 345 HB3 -0.05 -0.02 -0.07 -0.04 3.06 2.88 2uwfA1 PHE 345 HD2 -0.27 0.13 -0.04 -0.04 7.28 7.07 2uwfA1 PHE 345 HE2 -0.65 0.06 -0.03 -0.04 7.38 6.72 2uwfA1 PHE 345 HZ -1.33 0.09 -0.02 -0.04 7.32 6.02 2uwfA1 ASP 346 H -0.00 0.91 0.13 -0.55 8.40 8.89 2uwfA1 ASP 346 HA -0.01 0.12 0.39 -0.75 4.63 4.38 2uwfA1 ASP 346 HB2 -0.03 -0.02 0.11 -0.04 2.71 2.73 2uwfA1 ASP 346 HB3 -0.13 0.18 -0.04 -0.04 2.70 2.67 2uwfA1 HIS 347 H -0.00 0.24 0.15 -0.55 8.41 8.25 2uwfA1 HIS 347 HA -0.23 -0.08 0.27 -0.75 4.63 3.85 2uwfA1 HIS 347 HB2 -0.51 0.09 0.04 -0.04 3.26 2.84 2uwfA1 HIS 347 HB3 -1.01 0.04 0.04 -0.04 3.20 2.22 2uwfA1 HIS 347 HD2 -0.12 0.06 -0.09 -0.04 6.97 6.77 2uwfA1 HIS 347 HE1 0.01 0.06 -0.03 -0.04 7.75 7.75 2uwfA1 ASN 348 H -0.60 0.02 -0.24 -0.55 8.53 7.18 2uwfA1 ASN 348 HA -0.40 0.25 0.81 -0.75 4.76 4.67 2uwfA1 ASN 348 HB2 -0.23 -0.04 0.02 -0.04 2.88 2.59 2uwfA1 ASN 348 HB3 -0.02 0.08 0.16 -0.04 2.79 2.97 2uwfA1 ASN 348 HD21 -0.25 0.02 -0.03 -0.04 7.03 6.73 2uwfA1 ASN 348 HD22 -0.32 0.01 -0.01 -0.04 7.74 7.38 2uwfA1 TYR 349 H -0.25 0.51 -0.37 -0.55 8.29 7.63 2uwfA1 TYR 349 HA -0.03 0.07 0.24 -0.75 4.56 4.08 2uwfA1 TYR 349 HB2 0.11 0.27 0.25 -0.04 3.06 3.65 2uwfA1 TYR 349 HB3 0.00 -0.10 0.19 -0.04 2.98 3.03 2uwfA1 TYR 349 HD2 0.12 0.05 -0.09 -0.04 7.15 7.19 2uwfA1 TYR 349 HE2 0.04 -0.02 -0.03 -0.04 6.85 6.80 2uwfA1 ARG 350 H -0.08 -0.11 -0.40 -0.55 8.46 7.32 2uwfA1 ARG 350 HA -0.30 0.21 0.65 -0.75 4.34 4.15 2uwfA1 ARG 350 HB2 -0.17 -0.22 -0.02 -0.04 1.90 1.46 2uwfA1 ARG 350 HB3 -0.23 0.19 -0.05 -0.04 1.80 1.66 2uwfA1 ARG 350 HG2 -0.83 0.09 -0.21 -0.04 1.67 0.67 2uwfA1 ARG 350 HG3 -0.16 -0.09 -0.17 -0.04 1.67 1.21 2uwfA1 ARG 350 HD2 -0.16 -0.14 -0.04 -0.04 3.22 2.83 2uwfA1 ARG 350 HD3 -0.27 0.10 -0.02 -0.04 3.22 2.99 2uwfA1 VAL 351 H -0.28 0.68 0.18 -0.55 8.24 8.27 2uwfA1 VAL 351 HA -0.17 0.08 0.62 -0.75 4.13 3.90 2uwfA1 VAL 351 HB -0.77 -0.01 0.12 -0.04 2.12 1.42 2uwfA1 VAL 351 HG13 -0.67 0.03 -0.11 -0.04 0.97 0.17 2uwfA1 VAL 351 HG23 -0.39 0.02 -0.08 -0.04 0.95 0.46 2uwfA1 LYS 352 H -0.27 0.49 0.33 -0.55 8.42 8.42 2uwfA1 LYS 352 HA -0.15 0.21 0.78 -0.75 4.32 4.40 2uwfA1 LYS 352 HB2 -0.25 0.02 0.05 -0.04 1.87 1.65 2uwfA1 LYS 352 HB3 -0.35 -0.01 0.11 -0.04 1.79 1.50 2uwfA1 LYS 352 HG2 -0.46 0.00 -0.07 -0.04 1.46 0.89 2uwfA1 LYS 352 HG3 -0.21 -0.00 -0.33 -0.04 1.46 0.88 2uwfA1 LYS 352 HD2 -0.14 -0.18 -0.53 -0.04 1.69 0.80 2uwfA1 LYS 352 HD3 -0.18 0.06 -0.58 -0.04 1.68 0.94 2uwfA1 LYS 352 HE2 -0.45 -0.02 -0.04 -0.04 2.99 2.44 2uwfA1 LYS 352 HE3 -0.67 -0.08 -0.07 -0.04 2.99 2.13 2uwfA1 PRO 353 HA 0.31 0.09 0.48 -0.51 4.44 4.82 2uwfA1 PRO 353 HB2 0.10 0.10 -0.04 -0.04 2.28 2.40 2uwfA1 PRO 353 HB3 0.13 0.06 0.05 -0.04 2.02 2.22 2uwfA1 PRO 353 HG2 0.13 0.01 -0.04 -0.04 2.03 2.08 2uwfA1 PRO 353 HG3 0.11 0.08 0.05 -0.04 2.03 2.24 2uwfA1 PRO 353 HD2 -0.23 0.08 0.19 -0.04 3.68 3.67 2uwfA1 PRO 353 HD3 -0.05 0.17 0.17 -0.04 3.65 3.90 2uwfA1 ALA 354 H -0.03 0.12 -0.26 -0.55 8.40 7.68 2uwfA1 ALA 354 HA 0.05 0.07 0.47 -0.75 4.34 4.18 2uwfA1 ALA 354 HB3 -0.06 0.02 -0.06 -0.04 1.41 1.27 2uwfA1 TYR 355 H -0.17 0.33 -0.15 -0.55 8.29 7.75 2uwfA1 TYR 355 HA -0.49 0.06 0.39 -0.75 4.56 3.77 2uwfA1 TYR 355 HB2 -0.72 0.05 0.16 -0.04 3.06 2.51 2uwfA1 TYR 355 HB3 -0.68 0.11 0.22 -0.04 2.98 2.59 2uwfA1 TYR 355 HD2 -1.31 -0.04 -0.08 -0.04 7.15 5.67 2uwfA1 TYR 355 HE2 -0.76 0.04 -0.06 -0.04 6.85 6.03 2uwfA1 TRP 356 H -0.16 0.25 -0.06 -0.55 7.97 7.46 2uwfA1 TRP 356 HA -0.28 0.07 0.47 -0.75 4.62 4.12 2uwfA1 TRP 356 HB2 -0.01 0.10 0.10 -0.04 3.23 3.38 2uwfA1 TRP 356 HB3 -0.02 -0.00 0.04 -0.04 3.23 3.21 2uwfA1 TRP 356 HD1 0.02 -0.04 -0.06 -0.04 7.22 7.10 2uwfA1 TRP 356 HE1 -0.00 -0.00 -0.12 -0.04 10.20 10.04 2uwfA1 TRP 356 HE3 0.02 0.01 0.03 -0.04 7.59 7.60 2uwfA1 TRP 356 HZ2 -0.02 0.01 -0.01 -0.04 7.44 7.37 2uwfA1 TRP 356 HZ3 0.13 0.01 -0.00 -0.04 7.13 7.23 2uwfA1 TRP 356 HH2 0.05 0.03 -0.01 -0.04 7.19 7.22 2uwfA1 ARG 357 H 0.05 0.27 -0.42 -0.55 8.46 7.81 2uwfA1 ARG 357 HA 0.10 0.04 0.41 -0.75 4.34 4.12 2uwfA1 ARG 357 HB2 0.06 0.07 0.10 -0.04 1.90 2.09 2uwfA1 ARG 357 HB3 0.10 -0.02 0.05 -0.04 1.80 1.90 2uwfA1 ARG 357 HG2 0.15 0.08 0.01 -0.04 1.67 1.87 2uwfA1 ARG 357 HG3 0.11 -0.10 -0.13 -0.04 1.67 1.52 2uwfA1 ARG 357 HD2 0.15 0.02 -0.07 -0.04 3.22 3.28 2uwfA1 ARG 357 HD3 0.12 -0.04 -0.06 -0.04 3.22 3.19 2uwfA1 ILE 358 H -0.24 0.28 -0.21 -0.55 8.25 7.54 2uwfA1 ILE 358 HA -0.05 0.24 0.97 -0.75 4.18 4.58 2uwfA1 ILE 358 HB -0.61 0.02 0.09 -0.04 1.89 1.35 2uwfA1 ILE 358 HG12 -0.45 0.04 0.09 -0.04 1.49 1.13 2uwfA1 ILE 358 HG13 -0.40 0.10 -0.11 -0.04 1.21 0.75 2uwfA1 ILE 358 HG23 -0.24 0.03 -0.20 -0.04 0.93 0.48 2uwfA1 ILE 358 HD13 -0.66 -0.04 -0.05 -0.04 0.88 0.09 2uwfA1 ILE 359 H -0.37 0.28 -0.04 -0.55 8.25 7.57 2uwfA1 ILE 359 HA -0.27 0.13 0.59 -0.75 4.18 3.87 2uwfA1 ILE 359 HB -0.99 0.01 0.07 -0.04 1.89 0.94 2uwfA1 ILE 359 HG12 -0.13 -0.09 -0.08 -0.04 1.49 1.15 2uwfA1 ILE 359 HG13 -0.18 0.01 0.01 -0.04 1.21 1.00 2uwfA1 ILE 359 HG23 -0.26 -0.02 -0.06 -0.04 0.93 0.55 2uwfA1 ILE 359 HD13 -0.08 0.02 -0.18 -0.04 0.88 0.60 2uwfA1 ASP 360 H -0.09 0.12 -0.22 -0.55 8.40 7.66 2uwfA1 ASP 360 HA -0.06 0.03 0.25 -0.75 4.63 4.10 2uwfA1 ASP 360 HB2 0.09 -0.16 0.14 -0.04 2.71 2.74 2uwfA1 ASP 360 HB3 0.08 0.17 0.16 -0.04 2.70 3.07 2uwfA1 HIS 361 H 0.12 0.05 0.09 -0.55 8.41 8.12 2uwfA1 HIS 361 HA 0.01 0.33 0.80 -0.75 4.63 5.02 2uwfA1 HIS 361 HB2 0.05 -0.09 0.10 -0.04 3.26 3.29 2uwfA1 HIS 361 HB3 0.06 -0.03 0.19 -0.04 3.20 3.38 2uwfA1 HIS 361 HD2 -0.00 -0.08 0.00 -0.04 6.97 6.84 2uwfA1 HIS 361 HE1 -0.10 0.08 0.03 -0.04 7.75 7.72 2uwfA1 HIS 362 H 0.14 0.09 -0.33 -0.55 8.41 7.78 2uwfA1 HIS 362 HA 0.05 0.02 0.47 -0.75 4.63 4.42 2uwfA1 HIS 362 HB2 -0.04 -0.01 0.07 -0.04 3.26 3.24 2uwfA1 HIS 362 HB3 0.02 0.02 0.07 -0.04 3.20 3.26 2uwfA1 HIS 362 HD2 0.05 0.04 -0.03 -0.04 6.97 6.98 2uwfA1 HIS 362 HE1 -0.58 -0.13 -0.09 -0.04 7.75 6.90 2uwfA1 HIS 363 H -0.03 0.09 0.11 -0.55 8.41 8.03 2uwfA1 HIS 363 HA -0.01 0.12 0.57 -0.75 4.63 4.56 2uwfA1 HIS 363 HB2 0.02 -0.02 0.16 -0.04 3.26 3.38 2uwfA1 HIS 363 HB3 0.03 0.17 -0.16 -0.04 3.20 3.20 2uwfA1 HIS 363 HD2 -0.02 -0.02 0.06 -0.04 6.97 6.94 2uwfA1 HIS 363 HE1 0.02 -0.03 0.01 -0.04 7.75 7.71 2uwfA1 HIS 364 H -0.01 0.10 0.04 -0.55 8.41 8.00 2uwfA1 HIS 364 HA -0.19 0.26 0.93 -0.75 4.63 4.88 2uwfA1 HIS 364 HB2 -0.15 0.03 0.16 -0.04 3.26 3.27 2uwfA1 HIS 364 HB3 -0.19 -0.04 0.04 -0.04 3.20 2.96 2uwfA1 HIS 364 HD2 -0.23 -0.02 0.01 -0.04 6.97 6.69 2uwfA1 HIS 364 HE1 -0.16 -0.03 -0.06 -0.04 7.75 7.45 2uwfA1 HIS 365 H 0.17 -0.03 -0.14 -0.55 8.41 7.86 2uwfA1 HIS 365 HA -0.04 -0.00 0.25 -0.75 4.63 4.08 2uwfA1 HIS 365 HB2 0.02 0.28 -0.04 -0.04 3.26 3.48 2uwfA1 HIS 365 HB3 0.03 -0.10 0.09 -0.04 3.20 3.18 2uwfA1 HIS 365 HD2 0.04 -0.06 -0.14 -0.04 6.97 6.76 2uwfA1 HIS 365 HE1 0.04 0.00 -0.04 -0.04 7.75 7.71 2uwfA1 HIS 366 H 0.15 0.07 0.02 -0.55 8.41 8.11 2uwfA1 HIS 366 HA 0.14 0.25 0.59 -0.75 4.63 4.86 2uwfA1 HIS 366 HB2 0.09 -0.01 0.01 -0.04 3.26 3.31 2uwfA1 HIS 366 HB3 0.10 0.02 0.01 -0.04 3.20 3.29 2uwfA1 HIS 366 HD2 0.13 0.01 -0.15 -0.04 6.97 6.91 2uwfA1 HIS 366 HE1 0.21 -0.01 -0.10 -0.04 7.75 7.81