============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 66 rings ring int. center anis. iso. TRP 11 1.040 -4.053 58.616 21.691 -99.200 -91.000 TRP6 11 1.020 -2.556 57.601 23.202 -99.200 -91.000 HIS 15 0.900 -3.252 62.607 22.832 -99.200 -91.000 HIS 44 0.900 23.366 35.683 50.495 -99.200 -91.000 HIS 54 0.900 20.421 42.938 51.430 -99.200 -91.000 TRP 56 1.040 18.508 47.536 48.322 -99.200 -91.000 TRP6 56 1.020 20.008 48.435 49.925 -99.200 -91.000 PHE 61 1.000 17.177 25.021 42.545 -99.200 -91.000 PHE 68 1.000 24.297 41.146 42.717 -99.200 -91.000 HIS 78 0.900 18.844 56.292 41.411 -99.200 -91.000 PHE 82 1.000 19.920 50.551 44.647 -99.200 -91.000 HIS 87 0.900 26.044 43.261 39.558 -99.200 -91.000 TYR 89 0.840 29.115 45.869 50.563 -99.200 -91.000 TRP 100 1.040 29.302 31.087 34.399 -99.200 -91.000 TRP6 100 1.020 31.533 30.454 33.999 -99.200 -91.000 TYR 107 0.840 34.865 24.790 34.106 -99.200 -91.000 TYR 119 0.840 15.766 31.569 50.846 -99.200 -91.000 PHE 127 1.000 5.796 28.285 50.648 -99.200 -91.000 TYR 131 0.840 8.771 27.334 44.233 -99.200 -91.000 TYR 139 0.840 9.692 21.535 36.950 -99.200 -91.000 HIS 150 0.900 13.369 37.226 35.917 -99.200 -91.000 TYR 151 0.840 12.511 46.526 31.064 -99.200 -91.000 PHE 153 1.000 7.017 49.262 30.423 -99.200 -91.000 PHE 159 1.000 -0.223 54.119 27.370 -99.200 -91.000 TRP 160 1.040 -2.560 52.332 32.092 -99.200 -91.000 TRP6 160 1.020 -2.596 50.888 30.227 -99.200 -91.000 TYR 170 0.840 0.402 47.205 32.567 -99.200 -91.000 PHE 171 1.000 -4.565 39.809 31.465 -99.200 -91.000 TYR 177 0.840 7.755 39.299 25.827 -99.200 -91.000 TYR 178 0.840 3.096 34.381 25.886 -99.200 -91.000 PHE 180 1.000 3.814 40.766 16.561 -99.200 -91.000 TRP 182 1.040 9.488 36.614 17.073 -99.200 -91.000 TRP6 182 1.020 10.691 38.003 15.582 -99.200 -91.000 TYR 186 0.840 18.174 38.692 14.998 -99.200 -91.000 PHE 188 1.000 19.316 43.501 23.239 -99.200 -91.000 PHE 198 1.000 22.715 22.804 31.517 -99.200 -91.000 PHE 203 1.000 22.731 20.691 20.710 -99.200 -91.000 TYR 211 0.840 27.596 18.015 22.999 -99.200 -91.000 TYR 212 0.840 29.411 25.194 17.747 -99.200 -91.000 TYR 215 0.840 23.694 29.328 10.725 -99.200 -91.000 TYR 226 0.840 14.352 28.730 34.998 -99.200 -91.000 PHE 235 1.000 -0.972 34.816 29.452 -99.200 -91.000 TYR 239 0.840 -12.275 39.637 37.711 -99.200 -91.000 TYR 241 0.840 -2.890 35.144 34.543 -99.200 -91.000 TYR 256 0.840 5.309 17.325 38.530 -99.200 -91.000 TYR 282 0.840 9.966 27.818 36.090 -99.200 -91.000 TYR 308 0.840 5.802 44.551 38.706 -99.200 -91.000 PHE 319 1.000 29.669 40.487 24.370 -99.200 -91.000 PHE 331 1.000 14.170 46.078 21.497 -99.200 -91.000 PHE 335 1.000 8.708 43.881 21.685 -99.200 -91.000 TRP 338 1.040 4.869 48.308 17.940 -99.200 -91.000 TRP6 338 1.020 4.382 45.995 17.911 -99.200 -91.000 TRP 359 1.040 8.455 33.577 21.403 -99.200 -91.000 TRP6 359 1.020 9.744 34.852 22.909 -99.200 -91.000 PHE 382 1.000 4.728 37.148 6.795 -99.200 -91.000 PHE 392 1.000 14.525 47.853 15.991 -99.200 -91.000 TYR 411 0.840 13.962 55.964 25.350 -99.200 -91.000 PHE 422 1.000 15.969 42.849 13.534 -99.200 -91.000 PHE 429 1.000 24.052 41.901 23.801 -99.200 -91.000 PHE 449 1.000 33.782 38.134 28.362 -99.200 -91.000 TYR 453 0.840 32.651 41.675 32.707 -99.200 -91.000 PHE 470 1.000 25.953 47.764 49.438 -99.200 -91.000 PHE 492 1.000 6.217 24.208 56.909 -99.200 -91.000 TRP 495 1.040 2.644 29.698 57.796 -99.200 -91.000 TRP6 495 1.020 4.091 29.574 55.949 -99.200 -91.000 HIS 499 0.900 2.077 30.922 52.232 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2d33D1 MET 1 HA -0.33 -0.06 0.12 -0.75 4.52 3.51 2d33D1 MET 1 HB2 -2.04 -0.04 -0.01 -0.04 2.15 0.02 2d33D1 MET 1 HB3 -0.45 -0.08 0.00 -0.04 2.03 1.46 2d33D1 MET 1 HG2 0.10 0.03 -0.23 -0.04 2.63 2.49 2d33D1 MET 1 HG3 -0.28 -0.03 -0.09 -0.04 2.56 2.12 2d33D1 MET 1 HE3 0.29 0.00 0.01 -0.04 2.10 2.36 2d33D1 ILE 2 H -0.10 0.05 0.05 -0.55 8.25 7.70 2d33D1 ILE 2 HA -0.19 0.09 0.66 -0.75 4.18 3.99 2d33D1 ILE 2 HB -0.06 -0.05 0.07 -0.04 1.89 1.80 2d33D1 ILE 2 HG12 -0.12 -0.02 0.12 -0.04 1.49 1.43 2d33D1 ILE 2 HG13 -0.21 -0.08 0.00 -0.04 1.21 0.87 2d33D1 ILE 2 HG23 0.01 0.06 -0.15 -0.04 0.93 0.81 2d33D1 ILE 2 HD13 -0.34 0.01 -0.01 -0.04 0.88 0.50 2d33D1 PRO 3 HA 0.06 0.08 0.54 -0.51 4.44 4.61 2d33D1 PRO 3 HB2 0.01 0.02 0.01 -0.04 2.28 2.28 2d33D1 PRO 3 HB3 0.10 0.04 0.12 -0.04 2.02 2.23 2d33D1 PRO 3 HG2 -0.03 -0.05 -0.01 -0.04 2.03 1.90 2d33D1 PRO 3 HG3 0.16 0.14 0.07 -0.04 2.03 2.36 2d33D1 PRO 3 HD2 -0.04 0.01 0.20 -0.04 3.68 3.81 2d33D1 PRO 3 HD3 0.29 0.24 0.23 -0.04 3.65 4.38 2d33D1 ASP 4 H 0.03 0.12 0.16 -0.55 8.40 8.16 2d33D1 ASP 4 HA 0.04 0.07 0.61 -0.75 4.63 4.59 2d33D1 ASP 4 HB2 0.02 0.09 0.15 -0.04 2.71 2.93 2d33D1 ASP 4 HB3 0.01 0.01 0.18 -0.04 2.70 2.86 2d33D1 VAL 5 H 0.04 0.16 0.21 -0.55 8.24 8.10 2d33D1 VAL 5 HA -0.08 0.25 0.90 -0.75 4.13 4.45 2d33D1 VAL 5 HB 0.07 -0.00 -0.01 -0.04 2.12 2.13 2d33D1 VAL 5 HG13 -0.28 -0.01 -0.05 -0.04 0.97 0.59 2d33D1 VAL 5 HG23 -0.13 0.10 -0.23 -0.04 0.95 0.65 2d33D1 SER 6 H 0.02 0.12 0.04 -0.55 8.46 8.10 2d33D1 SER 6 HA 0.04 0.09 0.14 -0.75 4.49 4.01 2d33D1 SER 6 HB2 0.03 0.06 0.07 -0.04 3.95 4.08 2d33D1 SER 6 HB3 0.03 0.03 0.11 -0.04 3.93 4.07 2d33D1 GLN 7 H 0.00 0.08 -0.38 -0.55 8.47 7.63 2d33D1 GLN 7 HA 0.04 0.12 0.69 -0.75 4.36 4.46 2d33D1 GLN 7 HB2 0.00 -0.01 0.05 -0.04 2.15 2.14 2d33D1 GLN 7 HB3 -0.02 0.04 0.04 -0.04 2.02 2.04 2d33D1 GLN 7 HG2 0.01 0.03 -0.11 -0.04 2.40 2.29 2d33D1 GLN 7 HG3 0.02 -0.01 0.03 -0.04 2.39 2.40 2d33D1 GLN 7 HE21 -0.04 0.01 -0.02 -0.04 6.97 6.87 2d33D1 GLN 7 HE22 -0.05 0.03 -0.07 -0.04 7.69 7.55 2d33D1 ALA 8 H -0.02 0.16 -0.07 -0.55 8.40 7.92 2d33D1 ALA 8 HA 0.01 0.07 0.41 -0.75 4.34 4.07 2d33D1 ALA 8 HB3 -0.10 0.04 0.08 -0.04 1.41 1.39 2d33D1 LEU 9 H 0.05 0.46 -0.23 -0.55 8.37 8.11 2d33D1 LEU 9 HA 0.12 0.09 0.42 -0.75 4.35 4.22 2d33D1 LEU 9 HB2 0.06 -0.00 -0.00 -0.04 1.64 1.65 2d33D1 LEU 9 HB3 0.07 -0.01 -0.09 -0.04 1.64 1.57 2d33D1 LEU 9 HG 0.05 0.06 -0.09 -0.04 1.64 1.63 2d33D1 LEU 9 HD13 0.11 -0.03 -0.11 -0.04 0.93 0.86 2d33D1 LEU 9 HD23 0.11 0.01 -0.07 -0.04 0.89 0.89 2d33D1 ALA 10 H 0.09 0.39 -0.26 -0.55 8.40 8.07 2d33D1 ALA 10 HA 0.05 0.01 0.40 -0.75 4.34 4.05 2d33D1 ALA 10 HB3 0.07 0.03 0.13 -0.04 1.41 1.60 2d33D1 TRP 11 H 0.27 0.46 -0.19 -0.55 7.97 7.96 2d33D1 TRP 11 HA 0.06 0.01 0.40 -0.75 4.62 4.34 2d33D1 TRP 11 HB2 -0.06 -0.05 0.07 -0.04 3.23 3.16 2d33D1 TRP 11 HB3 -0.07 0.16 0.12 -0.04 3.23 3.40 2d33D1 TRP 11 HD1 -0.20 -0.05 -0.01 -0.04 7.22 6.93 2d33D1 TRP 11 HE1 -0.59 -0.07 -0.02 -0.04 10.20 9.48 2d33D1 TRP 11 HE3 -0.09 0.13 -0.09 -0.04 7.59 7.50 2d33D1 TRP 11 HZ2 -0.46 -0.13 0.01 -0.04 7.44 6.82 2d33D1 TRP 11 HZ3 -0.12 -0.02 -0.07 -0.04 7.13 6.89 2d33D1 TRP 11 HH2 -0.79 0.09 -0.00 -0.04 7.19 6.45 2d33D1 LEU 12 H 0.32 0.43 -0.26 -0.55 8.37 8.31 2d33D1 LEU 12 HA -0.63 0.07 0.36 -0.75 4.35 3.39 2d33D1 LEU 12 HB2 0.34 0.06 0.06 -0.04 1.64 2.05 2d33D1 LEU 12 HB3 0.11 0.08 0.13 -0.04 1.64 1.91 2d33D1 LEU 12 HG -0.02 -0.03 -0.31 -0.04 1.64 1.24 2d33D1 LEU 12 HD13 0.00 0.00 -0.08 -0.04 0.93 0.81 2d33D1 LEU 12 HD23 0.09 -0.01 -0.08 -0.04 0.89 0.84 2d33D1 GLU 13 H 0.00 0.58 -0.19 -0.55 8.60 8.45 2d33D1 GLU 13 HA -0.06 -0.02 0.33 -0.75 4.29 3.79 2d33D1 GLU 13 HB2 -0.00 0.08 0.16 -0.04 2.09 2.28 2d33D1 GLU 13 HB3 -0.03 -0.07 0.07 -0.04 1.99 1.92 2d33D1 GLU 13 HG2 -0.01 -0.05 0.02 -0.04 2.34 2.26 2d33D1 GLU 13 HG3 0.01 0.08 0.01 -0.04 2.34 2.40 2d33D1 LYS 14 H -0.10 0.37 -0.46 -0.55 8.42 7.67 2d33D1 LYS 14 HA -0.19 0.06 0.72 -0.75 4.32 4.16 2d33D1 LYS 14 HB2 -0.04 0.10 0.11 -0.04 1.87 2.00 2d33D1 LYS 14 HB3 -0.29 -0.08 0.16 -0.04 1.79 1.55 2d33D1 HIS 15 H -0.28 0.66 -0.45 -0.55 8.41 7.79 2d33D1 HIS 15 HA -0.29 0.08 0.76 -0.75 4.63 4.43 2d33D1 HIS 15 HB2 -1.28 0.09 0.12 -0.04 3.26 2.15 2d33D1 HIS 15 HB3 -0.56 -0.14 0.17 -0.04 3.20 2.63 2d33D1 HIS 15 HD2 -0.19 -0.06 0.02 -0.04 6.97 6.69 2d33D1 HIS 15 HE1 -0.16 -0.09 -0.02 -0.04 7.75 7.43 2d33D1 PRO 16 HA -0.10 0.11 0.21 -0.51 4.44 4.15 2d33D1 PRO 16 HB2 -0.07 -0.02 -0.03 -0.04 2.28 2.13 2d33D1 PRO 16 HB3 -0.06 0.07 0.10 -0.04 2.02 2.08 2d33D1 PRO 16 HG2 -0.09 -0.00 0.04 -0.04 2.03 1.94 2d33D1 PRO 16 HG3 -0.10 0.18 0.08 -0.04 2.03 2.15 2d33D1 PRO 16 HD2 -0.16 0.02 0.00 -0.04 3.68 3.51 2d33D1 PRO 16 HD3 -0.21 0.19 -0.34 -0.04 3.65 3.25 2d33D1 GLN 17 H -0.09 0.16 -0.28 -0.55 8.47 7.72 2d33D1 GLN 17 HA -0.03 0.07 0.43 -0.75 4.36 4.07 2d33D1 GLN 17 HB2 -0.05 0.05 -0.01 -0.04 2.15 2.10 2d33D1 GLN 17 HB3 -0.02 -0.01 0.10 -0.04 2.02 2.05 2d33D1 GLN 17 HG2 -0.06 -0.00 0.02 -0.04 2.40 2.31 2d33D1 GLN 17 HG3 -0.04 0.01 0.02 -0.04 2.39 2.34 2d33D1 GLN 17 HE21 -0.02 0.05 0.01 -0.04 6.97 6.96 2d33D1 GLN 17 HE22 -0.04 0.01 -0.03 -0.04 7.69 7.59 2d33D1 ALA 18 H -0.07 0.52 -0.41 -0.55 8.40 7.89 2d33D1 ALA 18 HA 0.01 0.01 0.23 -0.75 4.34 3.84 2d33D1 ALA 18 HB3 -0.07 0.04 0.02 -0.04 1.41 1.36 2d33D1 LEU 19 H 0.00 0.32 -0.48 -0.55 8.37 7.66 2d33D1 LEU 19 HA 0.03 0.21 0.93 -0.75 4.35 4.76 2d33D1 LEU 19 HB2 -0.01 0.17 0.01 -0.04 1.64 1.77 2d33D1 LEU 19 HB3 -0.02 -0.10 0.09 -0.04 1.64 1.56 2d33D1 LEU 19 HG 0.09 0.03 -0.19 -0.04 1.64 1.53 2d33D1 LEU 19 HD13 -0.03 -0.02 -0.07 -0.04 0.93 0.77 2d33D1 LEU 19 HD23 -0.03 0.03 -0.04 -0.04 0.89 0.81 2d33D1 LYS 20 H -0.00 0.39 -0.19 -0.55 8.42 8.07 2d33D1 LYS 20 HA -0.00 0.01 0.56 -0.75 4.32 4.13 2d33D1 LYS 20 HB2 -0.01 -0.01 0.16 -0.04 1.87 1.97 2d33D1 LYS 20 HB3 -0.00 0.04 0.17 -0.04 1.79 1.96 2d33D1 LYS 20 HG2 -0.00 -0.02 -0.07 -0.04 1.46 1.33 2d33D1 LYS 20 HG3 0.00 0.01 0.07 -0.04 1.46 1.50 2d33D1 GLY 21 H -0.00 0.09 0.28 -0.55 8.43 8.24 2d33D1 GLY 21 HA2 -0.02 -0.01 0.31 -0.51 4.01 3.78 2d33D1 GLY 21 HA3 -0.02 0.12 0.76 -0.51 4.01 4.36 2d33D1 ILE 22 H -0.02 0.03 0.18 -0.55 8.25 7.89 2d33D1 ILE 22 HA -0.17 0.21 0.69 -0.75 4.18 4.16 2d33D1 ILE 22 HB 0.02 -0.10 0.18 -0.04 1.89 1.95 2d33D1 ILE 22 HG12 -0.14 0.04 0.09 -0.04 1.49 1.43 2d33D1 ILE 22 HG13 -0.05 0.15 0.11 -0.04 1.21 1.38 2d33D1 ILE 22 HG23 -0.08 -0.00 -0.12 -0.04 0.93 0.69 2d33D1 ILE 22 HD13 0.10 -0.03 0.03 -0.04 0.88 0.94 2d33D1 GLN 23 H -0.24 0.53 0.32 -0.55 8.47 8.53 2d33D1 GLN 23 HA -0.09 0.18 0.83 -0.75 4.36 4.53 2d33D1 GLN 23 HB2 -0.16 -0.03 0.01 -0.04 2.15 1.93 2d33D1 GLN 23 HB3 -0.12 -0.08 -0.08 -0.04 2.02 1.69 2d33D1 GLN 23 HG2 -0.08 0.20 -0.21 -0.04 2.40 2.27 2d33D1 GLN 23 HG3 -0.07 -0.01 -0.10 -0.04 2.39 2.17 2d33D1 GLN 23 HE21 -0.05 -0.03 -0.13 -0.04 6.97 6.71 2d33D1 GLN 23 HE22 -0.06 0.01 -0.12 -0.04 7.69 7.48 2d33D1 ARG 24 H -0.08 0.66 0.35 -0.55 8.46 8.83 2d33D1 ARG 24 HA -0.18 0.42 1.06 -0.75 4.34 4.88 2d33D1 ARG 24 HB2 0.02 -0.07 -0.14 -0.04 1.90 1.66 2d33D1 ARG 24 HB3 -0.03 0.01 0.05 -0.04 1.80 1.79 2d33D1 ARG 24 HG2 0.11 0.06 -0.24 -0.04 1.67 1.57 2d33D1 ARG 24 HG3 0.02 -0.02 -0.43 -0.04 1.67 1.20 2d33D1 ARG 24 HD2 0.12 -0.08 -0.22 -0.04 3.22 3.00 2d33D1 ARG 24 HD3 0.28 -0.03 -0.14 -0.04 3.22 3.29 2d33D1 GLY 25 H -0.17 0.53 0.33 -0.55 8.43 8.57 2d33D1 GLY 25 HA2 -0.04 0.07 0.36 -0.51 4.01 3.88 2d33D1 GLY 25 HA3 -0.09 0.11 0.30 -0.51 4.01 3.82 2d33D1 LEU 26 H 0.05 0.12 0.15 -0.55 8.37 8.15 2d33D1 LEU 26 HA 0.13 0.37 1.19 -0.75 4.35 5.29 2d33D1 LEU 26 HB2 0.11 -0.08 0.04 -0.04 1.64 1.67 2d33D1 LEU 26 HB3 0.14 0.15 -0.08 -0.04 1.64 1.81 2d33D1 LEU 26 HG 0.15 -0.13 -0.26 -0.04 1.64 1.36 2d33D1 LEU 26 HD13 0.10 -0.01 -0.18 -0.04 0.93 0.80 2d33D1 LEU 26 HD23 0.26 0.03 -0.04 -0.04 0.89 1.11 2d33D1 GLU 27 H 0.14 0.60 0.37 -0.55 8.60 9.17 2d33D1 GLU 27 HA 0.14 0.41 0.92 -0.75 4.29 5.00 2d33D1 GLU 27 HB2 -0.07 -0.11 0.02 -0.04 2.09 1.89 2d33D1 GLU 27 HB3 0.03 0.06 -0.01 -0.04 1.99 2.03 2d33D1 GLU 27 HG2 0.11 0.05 -0.14 -0.04 2.34 2.32 2d33D1 GLU 27 HG3 0.13 -0.08 -0.31 -0.04 2.34 2.04 2d33D1 ARG 28 H 0.17 0.55 0.27 -0.55 8.46 8.90 2d33D1 ARG 28 HA 0.07 0.23 0.87 -0.75 4.34 4.76 2d33D1 ARG 28 HB2 0.17 -0.05 -0.12 -0.04 1.90 1.86 2d33D1 ARG 28 HB3 0.35 -0.08 0.04 -0.04 1.80 2.06 2d33D1 ARG 28 HG2 0.14 0.04 -0.03 -0.04 1.67 1.77 2d33D1 ARG 28 HG3 0.17 0.18 -0.08 -0.04 1.67 1.90 2d33D1 ARG 28 HD2 0.60 -0.08 -0.25 -0.04 3.22 3.45 2d33D1 ARG 28 HD3 0.29 -0.07 -0.82 -0.04 3.22 2.58 2d33D1 GLU 29 H 0.03 0.49 0.26 -0.55 8.60 8.84 2d33D1 GLU 29 HA -0.03 0.29 1.03 -0.75 4.29 4.82 2d33D1 GLU 29 HB2 -0.01 -0.17 0.16 -0.04 2.09 2.02 2d33D1 GLU 29 HB3 0.00 0.03 0.03 -0.04 1.99 2.01 2d33D1 GLU 29 HG2 -0.03 0.02 -0.09 -0.04 2.34 2.19 2d33D1 GLU 29 HG3 -0.08 -0.09 -0.23 -0.04 2.34 1.90 2d33D1 THR 30 H -0.02 0.58 0.20 -0.55 8.28 8.49 2d33D1 THR 30 HA 0.13 0.10 0.39 -0.75 4.39 4.26 2d33D1 THR 30 HB 0.18 0.16 -0.05 -0.04 4.32 4.56 2d33D1 THR 30 HG23 0.13 -0.04 -0.21 -0.04 1.22 1.06 2d33D1 LEU 31 H 0.20 0.19 0.15 -0.55 8.37 8.36 2d33D1 LEU 31 HA 0.07 0.19 0.77 -0.75 4.35 4.63 2d33D1 LEU 31 HB2 0.12 -0.08 0.12 -0.04 1.64 1.77 2d33D1 LEU 31 HB3 0.02 0.04 -0.04 -0.04 1.64 1.62 2d33D1 LEU 31 HG 0.10 0.06 0.06 -0.04 1.64 1.82 2d33D1 LEU 31 HD13 -0.09 0.01 0.02 -0.04 0.93 0.82 2d33D1 LEU 31 HD23 0.05 -0.01 -0.05 -0.04 0.89 0.85 2d33D1 ARG 32 H 0.05 0.61 0.41 -0.55 8.46 8.98 2d33D1 ARG 32 HA 0.09 0.23 0.79 -0.75 4.34 4.70 2d33D1 ARG 32 HB2 0.03 -0.06 0.25 -0.04 1.90 2.08 2d33D1 ARG 32 HB3 0.04 -0.04 0.04 -0.04 1.80 1.80 2d33D1 ARG 32 HG2 0.05 0.04 -0.04 -0.04 1.67 1.68 2d33D1 ARG 32 HG3 0.04 0.06 0.07 -0.04 1.67 1.79 2d33D1 ARG 32 HD2 0.02 -0.04 -0.03 -0.04 3.22 3.13 2d33D1 ARG 32 HD3 0.02 -0.00 -0.03 -0.04 3.22 3.17 2d33D1 VAL 33 H 0.11 0.77 0.37 -0.55 8.24 8.94 2d33D1 VAL 33 HA 0.01 0.06 1.05 -0.75 4.13 4.50 2d33D1 VAL 33 HB 0.01 0.02 -0.19 -0.04 2.12 1.92 2d33D1 VAL 33 HG13 -0.07 -0.01 -0.30 -0.04 0.97 0.55 2d33D1 VAL 33 HG23 0.30 0.04 -0.24 -0.04 0.95 1.01 2d33D1 ASN 34 H -0.01 0.74 0.14 -0.55 8.53 8.85 2d33D1 ASN 34 HA 0.02 0.17 0.73 -0.75 4.76 4.93 2d33D1 ASN 34 HB2 -0.04 -0.09 0.04 -0.04 2.88 2.76 2d33D1 ASN 34 HB3 -0.02 -0.10 0.12 -0.04 2.79 2.75 2d33D1 ASN 34 HD21 -0.02 -0.03 -0.14 -0.04 7.03 6.80 2d33D1 ASN 34 HD22 -0.04 -0.02 -0.21 -0.04 7.74 7.44 2d33D1 ALA 35 H 0.01 0.17 0.14 -0.55 8.40 8.18 2d33D1 ALA 35 HA 0.05 0.19 0.40 -0.75 4.34 4.22 2d33D1 ALA 35 HB3 0.01 0.03 0.11 -0.04 1.41 1.52 2d33D1 ASP 36 H -0.03 0.01 -0.21 -0.55 8.40 7.62 2d33D1 ASP 36 HA -0.06 0.17 0.55 -0.75 4.63 4.53 2d33D1 ASP 36 HB2 -0.13 0.04 0.13 -0.04 2.71 2.70 2d33D1 ASP 36 HB3 -0.07 -0.01 0.07 -0.04 2.70 2.65 2d33D1 GLY 37 H -0.01 0.56 -0.73 -0.55 8.43 7.69 2d33D1 GLY 37 HA2 0.11 0.10 0.20 -0.51 4.01 3.91 2d33D1 GLY 37 HA3 -0.10 0.08 0.53 -0.51 4.01 4.01 2d33D1 THR 38 H -0.16 -0.09 -0.36 -0.55 8.28 7.12 2d33D1 THR 38 HA -0.09 0.25 0.62 -0.75 4.39 4.42 2d33D1 THR 38 HB -0.06 0.08 0.06 -0.04 4.32 4.36 2d33D1 THR 38 HG23 -0.14 0.01 -0.03 -0.04 1.22 1.03 2d33D1 LEU 39 H -0.06 0.17 0.20 -0.55 8.37 8.14 2d33D1 LEU 39 HA -0.05 0.15 0.48 -0.75 4.35 4.18 2d33D1 LEU 39 HB2 -0.06 0.04 0.16 -0.04 1.64 1.74 2d33D1 LEU 39 HB3 -0.03 -0.09 0.17 -0.04 1.64 1.65 2d33D1 LEU 39 HG -0.01 0.27 -0.08 -0.04 1.64 1.77 2d33D1 LEU 39 HD13 -0.02 0.03 0.06 -0.04 0.93 0.96 2d33D1 LEU 39 HD23 -0.00 -0.04 -0.01 -0.04 0.89 0.79 2d33D1 ALA 40 H -0.01 0.66 0.37 -0.55 8.40 8.88 2d33D1 ALA 40 HA -0.01 -0.07 0.42 -0.75 4.34 3.93 2d33D1 ALA 40 HB3 0.01 -0.01 -0.05 -0.04 1.41 1.31 2d33D1 THR 41 H -0.01 -0.00 0.17 -0.55 8.28 7.88 2d33D1 THR 41 HA -0.01 0.27 0.95 -0.75 4.39 4.85 2d33D1 THR 41 HB -0.02 -0.03 0.15 -0.04 4.32 4.38 2d33D1 THR 41 HG23 -0.02 0.04 -0.05 -0.04 1.22 1.15 2d33D1 THR 42 H -0.01 -0.08 0.02 -0.55 8.28 7.67 2d33D1 THR 42 HA -0.01 0.03 0.53 -0.75 4.39 4.19 2d33D1 THR 42 HB -0.01 0.06 0.07 -0.04 4.32 4.40 2d33D1 THR 42 HG23 -0.01 -0.03 0.04 -0.04 1.22 1.18 2d33D1 GLY 43 H -0.00 0.02 0.08 -0.55 8.43 7.99 2d33D1 GLY 43 HA2 0.00 0.13 0.54 -0.51 4.01 4.17 2d33D1 GLY 43 HA3 0.01 -0.01 0.29 -0.51 4.01 3.79 2d33D1 HIS 44 H 0.09 0.06 0.10 -0.55 8.41 8.11 2d33D1 HIS 44 HA -0.03 0.15 0.40 -0.75 4.63 4.41 2d33D1 HIS 44 HB2 -0.05 -0.02 0.16 -0.04 3.26 3.31 2d33D1 HIS 44 HB3 -0.02 -0.07 0.02 -0.04 3.20 3.10 2d33D1 HIS 44 HD2 -0.04 0.07 -0.01 -0.04 6.97 6.95 2d33D1 HIS 44 HE1 -0.04 0.08 -0.32 -0.04 7.75 7.43 2d33D1 PRO 45 HA -0.06 -0.01 0.48 -0.51 4.44 4.34 2d33D1 PRO 45 HB2 -0.15 -0.06 0.09 -0.04 2.28 2.12 2d33D1 PRO 45 HB3 -0.08 0.17 0.23 -0.04 2.02 2.30 2d33D1 PRO 45 HG2 -0.08 0.07 0.05 -0.04 2.03 2.03 2d33D1 PRO 45 HG3 -0.05 0.04 0.10 -0.04 2.03 2.07 2d33D1 PRO 45 HD2 -0.38 0.07 0.14 -0.04 3.68 3.47 2d33D1 PRO 45 HD3 -0.02 0.16 0.16 -0.04 3.65 3.91 2d33D1 GLU 46 H -0.03 0.12 0.21 -0.55 8.60 8.34 2d33D1 GLU 46 HA 0.00 0.14 0.22 -0.75 4.29 3.90 2d33D1 GLU 46 HB2 0.02 -0.02 0.08 -0.04 2.09 2.13 2d33D1 GLU 46 HB3 0.00 0.04 0.14 -0.04 1.99 2.13 2d33D1 GLU 46 HG2 -0.01 -0.00 0.14 -0.04 2.34 2.42 2d33D1 GLU 46 HG3 0.00 0.01 -0.03 -0.04 2.34 2.29 2d33D1 ALA 47 H -0.02 0.13 -0.14 -0.55 8.40 7.83 2d33D1 ALA 47 HA 0.09 0.01 0.48 -0.75 4.34 4.17 2d33D1 ALA 47 HB3 0.01 0.02 0.08 -0.04 1.41 1.48 2d33D1 LEU 48 H -0.05 0.59 -0.47 -0.55 8.37 7.89 2d33D1 LEU 48 HA 0.17 0.10 0.59 -0.75 4.35 4.45 2d33D1 LEU 48 HB2 -0.44 0.08 -0.12 -0.04 1.64 1.12 2d33D1 LEU 48 HB3 -0.10 -0.06 -0.01 -0.04 1.64 1.43 2d33D1 LEU 48 HG -0.13 -0.03 -0.09 -0.04 1.64 1.35 2d33D1 LEU 48 HD13 -0.29 0.00 -0.05 -0.04 0.93 0.55 2d33D1 LEU 48 HD23 0.14 -0.00 -0.22 -0.04 0.89 0.77 2d33D1 GLY 49 H 0.07 0.36 -0.15 -0.55 8.43 8.17 2d33D1 GLY 49 HA2 0.11 0.01 0.30 -0.51 4.01 3.92 2d33D1 GLY 49 HA3 0.20 0.04 0.44 -0.51 4.01 4.18 2d33D1 SER 50 H 0.17 0.13 0.12 -0.55 8.46 8.33 2d33D1 SER 50 HA 0.14 0.17 0.75 -0.75 4.49 4.80 2d33D1 SER 50 HB2 0.08 0.04 -0.02 -0.04 3.95 4.01 2d33D1 SER 50 HB3 0.09 0.00 -0.26 -0.04 3.93 3.72 2d33D1 ALA 51 H 0.13 0.26 0.16 -0.55 8.40 8.40 2d33D1 ALA 51 HA 0.08 0.24 0.39 -0.75 4.34 4.30 2d33D1 ALA 51 HB3 -0.29 0.00 0.04 -0.04 1.41 1.12 2d33D1 LEU 52 H 0.18 -0.04 -0.37 -0.55 8.37 7.59 2d33D1 LEU 52 HA -0.04 0.14 0.31 -0.75 4.35 4.01 2d33D1 LEU 52 HB2 0.24 -0.01 0.07 -0.04 1.64 1.90 2d33D1 LEU 52 HB3 0.11 -0.09 0.04 -0.04 1.64 1.66 2d33D1 LEU 52 HG 0.01 0.05 -0.27 -0.04 1.64 1.39 2d33D1 LEU 52 HD13 -0.13 0.01 -0.05 -0.04 0.93 0.71 2d33D1 LEU 52 HD23 0.05 0.01 0.00 -0.04 0.89 0.91 2d33D1 THR 53 H 0.09 0.24 -0.23 -0.55 8.28 7.83 2d33D1 THR 53 HA 0.02 0.24 0.70 -0.75 4.39 4.59 2d33D1 THR 53 HB -0.01 -0.01 0.04 -0.04 4.32 4.29 2d33D1 THR 53 HG23 0.02 -0.04 -0.24 -0.04 1.22 0.92 2d33D1 HIS 54 H 0.16 0.45 0.10 -0.55 8.41 8.58 2d33D1 HIS 54 HA -0.12 -0.08 0.42 -0.75 4.63 4.09 2d33D1 HIS 54 HB2 0.06 0.13 0.12 -0.04 3.26 3.53 2d33D1 HIS 54 HB3 0.06 0.31 0.10 -0.04 3.20 3.63 2d33D1 HIS 54 HD2 0.06 0.05 0.06 -0.04 6.97 7.10 2d33D1 HIS 54 HE1 0.37 -0.01 0.03 -0.04 7.75 8.10 2d33D1 LYS 55 H -0.81 0.04 0.19 -0.55 8.42 7.29 2d33D1 LYS 55 HA -0.15 0.20 0.43 -0.75 4.32 4.05 2d33D1 LYS 55 HB2 -1.57 -0.09 0.12 -0.04 1.87 0.29 2d33D1 LYS 55 HB3 -0.64 0.02 -0.02 -0.04 1.79 1.11 2d33D1 LYS 55 HG2 -0.20 0.03 0.03 -0.04 1.46 1.28 2d33D1 LYS 55 HG3 -0.39 0.02 0.04 -0.04 1.46 1.09 2d33D1 LYS 55 HD2 -0.58 -0.04 0.03 -0.04 1.69 1.05 2d33D1 LYS 55 HD3 -0.26 -0.00 0.00 -0.04 1.68 1.38 2d33D1 LYS 55 HE2 -0.02 -0.04 -0.00 -0.04 2.99 2.89 2d33D1 LYS 55 HE3 -0.04 0.01 0.00 -0.04 2.99 2.92 2d33D1 TRP 56 H 0.53 -0.11 -0.08 -0.55 7.97 7.76 2d33D1 TRP 56 HA 0.24 0.40 1.04 -0.75 4.62 5.55 2d33D1 TRP 56 HB2 0.38 -0.03 -0.02 -0.04 3.23 3.52 2d33D1 TRP 56 HB3 0.39 0.05 0.08 -0.04 3.23 3.71 2d33D1 TRP 56 HD1 0.16 0.25 -0.18 -0.04 7.22 7.42 2d33D1 TRP 56 HE1 0.12 -0.01 -0.04 -0.04 10.20 10.23 2d33D1 TRP 56 HE3 0.07 0.06 -0.04 -0.04 7.59 7.63 2d33D1 TRP 56 HZ2 0.01 -0.00 -0.01 -0.04 7.44 7.39 2d33D1 TRP 56 HZ3 -0.60 -0.02 -0.17 -0.04 7.13 6.31 2d33D1 TRP 56 HH2 -0.21 -0.02 -0.04 -0.04 7.19 6.88 2d33D1 ILE 57 H 0.45 -0.01 0.03 -0.55 8.25 8.17 2d33D1 ILE 57 HA 0.23 0.41 1.11 -0.75 4.18 5.17 2d33D1 ILE 57 HB -0.28 -0.03 0.07 -0.04 1.89 1.61 2d33D1 ILE 57 HG12 0.63 0.12 -0.26 -0.04 1.49 1.94 2d33D1 ILE 57 HG13 0.58 -0.20 -0.24 -0.04 1.21 1.31 2d33D1 ILE 57 HG23 0.11 0.02 -0.10 -0.04 0.93 0.91 2d33D1 ILE 57 HD13 0.50 0.01 -0.06 -0.04 0.88 1.28 2d33D1 THR 58 H 0.02 0.61 0.29 -0.55 8.28 8.66 2d33D1 THR 58 HA 0.02 0.03 0.78 -0.75 4.39 4.48 2d33D1 THR 58 HB 0.10 0.06 -0.33 -0.04 4.32 4.11 2d33D1 THR 58 HG23 0.08 0.02 -0.25 -0.04 1.22 1.02 2d33D1 THR 59 H 0.06 0.23 0.15 -0.55 8.28 8.17 2d33D1 THR 59 HA -0.05 0.28 0.96 -0.75 4.39 4.82 2d33D1 THR 59 HB -0.08 0.18 -0.10 -0.04 4.32 4.27 2d33D1 THR 59 HG23 -0.34 -0.04 -0.19 -0.04 1.22 0.61 2d33D1 ASP 60 H 0.03 0.54 0.05 -0.55 8.40 8.48 2d33D1 ASP 60 HA 0.14 0.18 0.83 -0.75 4.63 5.03 2d33D1 ASP 60 HB2 0.05 0.03 -0.05 -0.04 2.71 2.69 2d33D1 ASP 60 HB3 0.10 -0.07 0.17 -0.04 2.70 2.86 2d33D1 PHE 61 H 0.26 0.19 0.11 -0.55 8.34 8.35 2d33D1 PHE 61 HA 0.10 0.08 0.34 -0.75 4.62 4.38 2d33D1 PHE 61 HB2 0.12 0.02 0.10 -0.04 3.15 3.35 2d33D1 PHE 61 HB3 0.08 0.15 0.17 -0.04 3.06 3.41 2d33D1 PHE 61 HD2 0.03 -0.01 -0.12 -0.04 7.28 7.14 2d33D1 PHE 61 HE2 -0.01 0.03 -0.06 -0.04 7.38 7.30 2d33D1 PHE 61 HZ -0.00 -0.06 -0.04 -0.04 7.32 7.17 2d33D1 ALA 62 H 0.17 0.10 -0.04 -0.55 8.40 8.08 2d33D1 ALA 62 HA -0.25 0.16 0.79 -0.75 4.34 4.29 2d33D1 ALA 62 HB3 0.15 0.02 -0.06 -0.04 1.41 1.48 2d33D1 GLU 63 H -0.10 0.74 -0.05 -0.55 8.60 8.63 2d33D1 GLU 63 HA -0.15 -0.01 0.27 -0.75 4.29 3.65 2d33D1 GLU 63 HB2 -0.14 0.19 -0.10 -0.04 2.09 2.00 2d33D1 GLU 63 HB3 -0.07 0.05 -0.04 -0.04 1.99 1.90 2d33D1 GLU 63 HG2 -0.06 0.03 -0.02 -0.04 2.34 2.25 2d33D1 GLU 63 HG3 -0.03 0.07 -0.08 -0.04 2.34 2.27 2d33D1 ALA 64 H -0.01 0.06 -0.37 -0.55 8.40 7.53 2d33D1 ALA 64 HA 0.02 0.19 0.69 -0.75 4.34 4.49 2d33D1 ALA 64 HB3 0.01 0.03 0.10 -0.04 1.41 1.51 2d33D1 LEU 65 H 0.01 0.53 -0.50 -0.55 8.37 7.86 2d33D1 LEU 65 HA 0.04 0.23 0.85 -0.75 4.35 4.72 2d33D1 LEU 65 HB2 0.09 -0.02 -0.04 -0.04 1.64 1.63 2d33D1 LEU 65 HB3 0.07 -0.13 0.16 -0.04 1.64 1.70 2d33D1 LEU 65 HG 0.05 -0.06 -0.07 -0.04 1.64 1.52 2d33D1 LEU 65 HD13 0.05 0.05 -0.23 -0.04 0.93 0.77 2d33D1 LEU 65 HD23 0.12 -0.04 0.04 -0.04 0.89 0.97 2d33D1 LEU 66 H -0.02 0.39 0.11 -0.55 8.37 8.31 2d33D1 LEU 66 HA -0.08 0.14 0.57 -0.75 4.35 4.22 2d33D1 LEU 66 HB2 -0.16 0.15 0.12 -0.04 1.64 1.71 2d33D1 LEU 66 HB3 -0.63 -0.02 -0.11 -0.04 1.64 0.84 2d33D1 LEU 66 HG -0.01 -0.03 -0.02 -0.04 1.64 1.54 2d33D1 LEU 66 HD13 0.01 -0.00 -0.11 -0.04 0.93 0.79 2d33D1 LEU 66 HD23 -0.00 0.00 -0.02 -0.04 0.89 0.83 2d33D1 GLU 67 H -0.20 0.60 0.25 -0.55 8.60 8.71 2d33D1 GLU 67 HA -0.18 0.31 0.82 -0.75 4.29 4.48 2d33D1 GLU 67 HB2 -0.03 0.01 -0.31 -0.04 2.09 1.72 2d33D1 GLU 67 HB3 -0.01 -0.06 -0.35 -0.04 1.99 1.53 2d33D1 GLU 67 HG2 0.05 -0.02 -0.52 -0.04 2.34 1.81 2d33D1 GLU 67 HG3 0.00 0.06 -0.19 -0.04 2.34 2.17 2d33D1 PHE 68 H 0.05 0.70 0.29 -0.55 8.34 8.83 2d33D1 PHE 68 HA 0.16 0.24 0.94 -0.75 4.62 5.20 2d33D1 PHE 68 HB2 0.14 -0.00 0.12 -0.04 3.15 3.37 2d33D1 PHE 68 HB3 0.17 -0.04 -0.02 -0.04 3.06 3.13 2d33D1 PHE 68 HD2 -0.00 0.05 -0.11 -0.04 7.28 7.18 2d33D1 PHE 68 HE2 -0.21 0.01 -0.15 -0.04 7.38 6.99 2d33D1 PHE 68 HZ -0.16 -0.00 -0.14 -0.04 7.32 6.98 2d33D1 ILE 69 H 0.41 0.64 0.32 -0.55 8.25 9.08 2d33D1 ILE 69 HA 0.20 0.30 1.20 -0.75 4.18 5.13 2d33D1 ILE 69 HB 0.27 0.03 0.04 -0.04 1.89 2.19 2d33D1 ILE 69 HG12 0.13 -0.02 -0.24 -0.04 1.49 1.32 2d33D1 ILE 69 HG13 0.17 -0.06 -0.67 -0.04 1.21 0.61 2d33D1 ILE 69 HG23 0.14 -0.01 -0.27 -0.04 0.93 0.74 2d33D1 ILE 69 HD13 0.13 -0.01 -0.27 -0.04 0.88 0.70 2d33D1 THR 70 H 0.12 0.51 0.30 -0.55 8.28 8.66 2d33D1 THR 70 HA -0.02 0.18 0.84 -0.75 4.39 4.63 2d33D1 THR 70 HB -0.22 0.04 0.09 -0.04 4.32 4.19 2d33D1 THR 70 HG23 0.14 0.03 -0.04 -0.04 1.22 1.31 2d33D1 PRO 71 HA -0.02 0.06 0.49 -0.51 4.44 4.46 2d33D1 PRO 71 HB2 -0.17 0.04 -0.00 -0.04 2.28 2.11 2d33D1 PRO 71 HB3 0.02 0.01 0.09 -0.04 2.02 2.11 2d33D1 PRO 71 HG2 -0.68 -0.04 0.07 -0.04 2.03 1.34 2d33D1 PRO 71 HG3 0.13 0.09 0.07 -0.04 2.03 2.28 2d33D1 PRO 71 HD2 -1.19 0.01 0.21 -0.04 3.68 2.67 2d33D1 PRO 71 HD3 -0.43 0.29 0.32 -0.04 3.65 3.79 2d33D1 VAL 72 H -0.07 0.05 0.13 -0.55 8.24 7.79 2d33D1 VAL 72 HA -0.12 0.23 0.27 -0.75 4.13 3.75 2d33D1 VAL 72 HB -0.17 0.01 0.02 -0.04 2.12 1.94 2d33D1 VAL 72 HG13 -0.08 -0.02 -0.02 -0.04 0.97 0.81 2d33D1 VAL 72 HG23 -0.16 -0.00 -0.19 -0.04 0.95 0.56 2d33D1 ASP 73 H -0.09 0.33 0.31 -0.55 8.40 8.41 2d33D1 ASP 73 HA -0.06 0.03 0.83 -0.75 4.63 4.68 2d33D1 ASP 73 HB2 -0.07 0.36 -0.37 -0.04 2.71 2.59 2d33D1 ASP 73 HB3 -0.02 0.01 -0.00 -0.04 2.70 2.64 2d33D1 GLY 74 H -0.05 0.13 0.19 -0.55 8.43 8.15 2d33D1 GLY 74 HA2 -0.03 0.43 0.74 -0.51 4.01 4.65 2d33D1 GLY 74 HA3 -0.03 0.01 0.35 -0.51 4.01 3.83 2d33D1 ASP 75 H -0.01 0.08 -0.08 -0.55 8.40 7.85 2d33D1 ASP 75 HA 0.03 0.29 1.13 -0.75 4.63 5.33 2d33D1 ASP 75 HB2 -0.02 0.10 -0.03 -0.04 2.71 2.71 2d33D1 ASP 75 HB3 -0.00 -0.03 0.11 -0.04 2.70 2.74 2d33D1 ILE 76 H 0.05 0.25 0.14 -0.55 8.25 8.15 2d33D1 ILE 76 HA 0.07 0.13 0.18 -0.75 4.18 3.81 2d33D1 ILE 76 HB 0.03 -0.04 0.13 -0.04 1.89 1.97 2d33D1 ILE 76 HG12 0.11 0.06 -0.07 -0.04 1.49 1.55 2d33D1 ILE 76 HG13 0.09 0.06 0.06 -0.04 1.21 1.38 2d33D1 ILE 76 HG23 0.04 0.01 -0.16 -0.04 0.93 0.77 2d33D1 ILE 76 HD13 0.07 0.01 -0.07 -0.04 0.88 0.85 2d33D1 GLU 77 H 0.04 0.14 -0.02 -0.55 8.60 8.21 2d33D1 GLU 77 HA 0.02 0.06 0.35 -0.75 4.29 3.97 2d33D1 HIS 78 H 0.15 0.06 -0.34 -0.55 8.41 7.74 2d33D1 HIS 78 HA 0.02 0.05 0.40 -0.75 4.63 4.35 2d33D1 HIS 78 HB2 0.01 -0.02 0.06 -0.04 3.26 3.26 2d33D1 HIS 78 HB3 0.00 0.10 0.09 -0.04 3.20 3.35 2d33D1 HIS 78 HD2 0.02 0.01 0.00 -0.04 6.97 6.95 2d33D1 HIS 78 HE1 -0.03 0.06 -0.04 -0.04 7.75 7.70 2d33D1 MET 79 H 0.11 0.55 -0.11 -0.55 8.47 8.48 2d33D1 MET 79 HA 0.01 0.05 0.40 -0.75 4.52 4.23 2d33D1 MET 79 HB2 0.05 0.03 -0.01 -0.04 2.15 2.18 2d33D1 MET 79 HB3 0.06 0.05 0.06 -0.04 2.03 2.16 2d33D1 MET 79 HG2 0.05 -0.02 -0.25 -0.04 2.63 2.37 2d33D1 MET 79 HG3 -0.00 0.03 -0.03 -0.04 2.56 2.52 2d33D1 MET 79 HE3 0.13 -0.01 -0.16 -0.04 2.10 2.02 2d33D1 LEU 80 H 0.03 0.50 -0.17 -0.55 8.37 8.19 2d33D1 LEU 80 HA 0.02 0.08 0.36 -0.75 4.35 4.06 2d33D1 LEU 80 HB2 0.00 0.05 0.10 -0.04 1.64 1.75 2d33D1 LEU 80 HB3 -0.02 -0.01 -0.02 -0.04 1.64 1.54 2d33D1 LEU 80 HG 0.04 0.07 -0.07 -0.04 1.64 1.64 2d33D1 LEU 80 HD13 0.01 -0.04 -0.14 -0.04 0.93 0.71 2d33D1 LEU 80 HD23 0.01 0.02 -0.20 -0.04 0.89 0.69 2d33D1 THR 81 H -0.03 0.60 -0.09 -0.55 8.28 8.22 2d33D1 THR 81 HA -0.06 0.05 0.54 -0.75 4.39 4.17 2d33D1 THR 81 HB -0.12 0.07 0.15 -0.04 4.32 4.37 2d33D1 THR 81 HG23 -0.08 -0.03 -0.03 -0.04 1.22 1.04 2d33D1 PHE 82 H -0.02 0.67 -0.11 -0.55 8.34 8.33 2d33D1 PHE 82 HA -0.23 -0.11 0.45 -0.75 4.62 3.98 2d33D1 PHE 82 HB2 -0.37 0.07 0.15 -0.04 3.15 2.95 2d33D1 PHE 82 HB3 -0.16 0.14 0.18 -0.04 3.06 3.18 2d33D1 PHE 82 HD2 -0.24 0.01 -0.16 -0.04 7.28 6.85 2d33D1 PHE 82 HE2 -0.51 0.05 -0.01 -0.04 7.38 6.86 2d33D1 PHE 82 HZ -1.91 -0.00 -0.01 -0.04 7.32 5.36 2d33D1 MET 83 H 0.12 0.62 -0.09 -0.55 8.47 8.57 2d33D1 MET 83 HA 0.16 0.03 0.29 -0.75 4.52 4.24 2d33D1 MET 83 HB2 0.11 -0.01 0.05 -0.04 2.15 2.26 2d33D1 MET 83 HB3 0.01 0.09 0.09 -0.04 2.03 2.18 2d33D1 MET 83 HG2 0.04 0.01 -0.10 -0.04 2.63 2.55 2d33D1 MET 83 HG3 -0.05 -0.01 -0.20 -0.04 2.56 2.25 2d33D1 MET 83 HE3 0.19 0.01 -0.26 -0.04 2.10 2.00 2d33D1 ARG 84 H -0.05 0.33 -0.53 -0.55 8.46 7.66 2d33D1 ARG 84 HA -0.14 0.05 0.34 -0.75 4.34 3.84 2d33D1 ARG 84 HB2 -0.10 0.13 0.14 -0.04 1.90 2.03 2d33D1 ARG 84 HB3 -0.08 0.01 0.11 -0.04 1.80 1.80 2d33D1 ARG 84 HG2 -0.09 0.01 -0.01 -0.04 1.67 1.54 2d33D1 ARG 84 HG3 -0.17 -0.03 -0.02 -0.04 1.67 1.42 2d33D1 ARG 84 HD2 -0.08 -0.05 -0.02 -0.04 3.22 3.03 2d33D1 ARG 84 HD3 -0.07 0.00 -0.02 -0.04 3.22 3.10 2d33D1 ASP 85 H -0.12 0.65 0.07 -0.55 8.40 8.45 2d33D1 ASP 85 HA -0.04 0.03 0.48 -0.75 4.63 4.33 2d33D1 ASP 85 HB2 -0.34 0.15 0.25 -0.04 2.71 2.73 2d33D1 ASP 85 HB3 -0.05 -0.02 0.08 -0.04 2.70 2.66 2d33D1 LEU 86 H -0.11 0.56 -0.27 -0.55 8.37 8.01 2d33D1 LEU 86 HA 0.21 -0.06 0.27 -0.75 4.35 4.01 2d33D1 LEU 86 HB2 -0.20 0.20 0.08 -0.04 1.64 1.67 2d33D1 LEU 86 HB3 0.02 -0.03 -0.02 -0.04 1.64 1.56 2d33D1 LEU 86 HG -0.12 0.21 -0.02 -0.04 1.64 1.67 2d33D1 LEU 86 HD13 0.39 0.02 -0.10 -0.04 0.93 1.21 2d33D1 LEU 86 HD23 0.07 -0.04 -0.08 -0.04 0.89 0.79 2d33D1 HIS 87 H -0.04 0.41 -0.22 -0.55 8.41 8.02 2d33D1 HIS 87 HA -0.49 0.02 0.37 -0.75 4.63 3.78 2d33D1 HIS 87 HB2 -0.19 0.05 0.11 -0.04 3.26 3.19 2d33D1 HIS 87 HB3 -0.14 -0.01 -0.08 -0.04 3.20 2.93 2d33D1 HIS 87 HD2 0.00 0.08 -0.02 -0.04 6.97 6.99 2d33D1 HIS 87 HE1 -0.00 -0.04 -0.07 -0.04 7.75 7.60 2d33D1 ARG 88 H -0.03 0.54 -0.13 -0.55 8.46 8.29 2d33D1 ARG 88 HA -0.02 0.10 0.32 -0.75 4.34 3.99 2d33D1 ARG 88 HB2 -0.02 -0.07 0.19 -0.04 1.90 1.95 2d33D1 ARG 88 HB3 -0.02 0.06 -0.05 -0.04 1.80 1.75 2d33D1 ARG 88 HG2 -0.02 0.16 0.03 -0.04 1.67 1.80 2d33D1 ARG 88 HG3 -0.03 -0.01 0.02 -0.04 1.67 1.61 2d33D1 ARG 88 HD2 -0.04 -0.17 -0.24 -0.04 3.22 2.74 2d33D1 ARG 88 HD3 -0.02 0.03 -0.34 -0.04 3.22 2.84 2d33D1 TYR 89 H -0.04 0.60 -0.04 -0.55 8.29 8.26 2d33D1 TYR 89 HA -0.27 -0.00 0.29 -0.75 4.56 3.82 2d33D1 TYR 89 HB2 -0.90 -0.04 0.07 -0.04 3.06 2.15 2d33D1 TYR 89 HB3 -0.74 0.12 0.04 -0.04 2.98 2.36 2d33D1 TYR 89 HD2 -0.43 0.03 -0.12 -0.04 7.15 6.59 2d33D1 TYR 89 HE2 -0.06 0.02 -0.06 -0.04 6.85 6.71 2d33D1 THR 90 H -0.06 0.41 -0.50 -0.55 8.28 7.59 2d33D1 THR 90 HA -0.10 -0.02 0.13 -0.75 4.39 3.64 2d33D1 THR 90 HB 0.09 0.14 0.06 -0.04 4.32 4.57 2d33D1 THR 90 HG23 0.14 -0.02 -0.18 -0.04 1.22 1.11 2d33D1 ALA 91 H -0.05 0.55 -0.23 -0.55 8.40 8.13 2d33D1 ALA 91 HA 0.01 -0.01 0.26 -0.75 4.34 3.84 2d33D1 ALA 91 HB3 0.01 0.03 0.06 -0.04 1.41 1.47 2d33D1 ARG 92 H -0.17 0.39 -0.59 -0.55 8.46 7.53 2d33D1 ARG 92 HA -0.08 0.18 0.78 -0.75 4.34 4.46 2d33D1 ARG 92 HB2 -0.10 -0.11 0.20 -0.04 1.90 1.84 2d33D1 ARG 92 HB3 -0.09 0.08 0.04 -0.04 1.80 1.79 2d33D1 ARG 92 HG2 -0.27 0.23 0.06 -0.04 1.67 1.65 2d33D1 ARG 92 HG3 -0.29 -0.12 -0.07 -0.04 1.67 1.16 2d33D1 ARG 92 HD2 -0.10 -0.15 -0.02 -0.04 3.22 2.91 2d33D1 ARG 92 HD3 -0.09 -0.11 0.03 -0.04 3.22 3.02 2d33D1 ASN 93 H -0.16 0.54 -0.46 -0.55 8.53 7.91 2d33D1 ASN 93 HA -0.15 0.06 0.82 -0.75 4.76 4.74 2d33D1 ASN 93 HB2 -0.39 0.19 0.05 -0.04 2.88 2.69 2d33D1 ASN 93 HB3 -0.21 -0.20 0.20 -0.04 2.79 2.53 2d33D1 ASN 93 HD21 -0.91 -0.13 -0.06 -0.04 7.03 5.89 2d33D1 ASN 93 HD22 -1.33 0.49 -0.03 -0.04 7.74 6.83 2d33D1 MET 94 H -0.07 0.31 -0.08 -0.55 8.47 8.08 2d33D1 MET 94 HA -0.05 0.09 0.87 -0.75 4.52 4.67 2d33D1 MET 94 HB2 -0.01 -0.11 0.12 -0.04 2.15 2.10 2d33D1 MET 94 HB3 -0.03 0.06 -0.12 -0.04 2.03 1.89 2d33D1 MET 94 HG2 -0.02 0.09 -0.05 -0.04 2.63 2.61 2d33D1 MET 94 HG3 0.00 0.18 -0.16 -0.04 2.56 2.54 2d33D1 MET 94 HE3 0.05 -0.04 -0.31 -0.04 2.10 1.76 2d33D1 GLY 95 H -0.04 0.09 -0.04 -0.55 8.43 7.89 2d33D1 GLY 95 HA2 -0.03 0.04 0.31 -0.51 4.01 3.82 2d33D1 GLY 95 HA3 -0.02 -0.04 0.39 -0.51 4.01 3.83 2d33D1 ASP 96 H -0.01 0.05 0.21 -0.55 8.40 8.11 2d33D1 ASP 96 HA -0.00 0.23 0.66 -0.75 4.63 4.77 2d33D1 ASP 96 HB2 -0.01 -0.04 0.11 -0.04 2.71 2.73 2d33D1 ASP 96 HB3 -0.00 -0.07 0.12 -0.04 2.70 2.71 2d33D1 GLU 97 H 0.00 0.33 -0.26 -0.55 8.60 8.13 2d33D1 GLU 97 HA 0.03 0.03 0.55 -0.75 4.29 4.15 2d33D1 GLU 97 HB2 0.02 0.17 0.09 -0.04 2.09 2.33 2d33D1 GLU 97 HB3 0.03 0.02 0.05 -0.04 1.99 2.05 2d33D1 GLU 97 HG2 0.01 -0.09 -0.12 -0.04 2.34 2.10 2d33D1 GLU 97 HG3 0.00 -0.17 0.04 -0.04 2.34 2.17 2d33D1 ARG 98 H 0.08 0.61 0.33 -0.55 8.46 8.93 2d33D1 ARG 98 HA 0.08 0.19 0.61 -0.75 4.34 4.48 2d33D1 ARG 98 HB2 0.11 0.01 0.12 -0.04 1.90 2.09 2d33D1 ARG 98 HB3 0.07 0.08 -0.13 -0.04 1.80 1.78 2d33D1 ARG 98 HG2 0.17 0.00 -0.31 -0.04 1.67 1.49 2d33D1 ARG 98 HG3 0.10 -0.03 -0.28 -0.04 1.67 1.42 2d33D1 ARG 98 HD2 0.10 0.12 -0.26 -0.04 3.22 3.13 2d33D1 ARG 98 HD3 0.10 -0.04 -0.30 -0.04 3.22 2.95 2d33D1 MET 99 H 0.15 0.18 0.10 -0.55 8.47 8.36 2d33D1 MET 99 HA 0.19 0.25 0.74 -0.75 4.52 4.94 2d33D1 MET 99 HB2 0.20 -0.02 0.07 -0.04 2.15 2.36 2d33D1 MET 99 HB3 0.22 0.11 -0.11 -0.04 2.03 2.21 2d33D1 MET 99 HG2 0.18 0.03 -0.16 -0.04 2.63 2.63 2d33D1 MET 99 HG3 0.15 -0.09 -0.23 -0.04 2.56 2.35 2d33D1 MET 99 HE3 0.14 0.01 -0.03 -0.04 2.10 2.18 2d33D1 TRP 100 H 0.37 0.61 0.26 -0.55 7.97 8.66 2d33D1 TRP 100 HA 0.08 0.05 0.56 -0.75 4.62 4.55 2d33D1 TRP 100 HB2 0.07 0.03 0.12 -0.04 3.23 3.41 2d33D1 TRP 100 HB3 0.06 -0.07 0.18 -0.04 3.23 3.36 2d33D1 TRP 100 HD1 0.03 0.24 -0.16 -0.04 7.22 7.30 2d33D1 TRP 100 HE1 0.01 0.46 0.05 -0.04 10.20 10.68 2d33D1 TRP 100 HE3 0.09 0.05 -0.10 -0.04 7.59 7.59 2d33D1 TRP 100 HZ2 -0.01 -0.08 -0.16 -0.04 7.44 7.15 2d33D1 TRP 100 HZ3 0.14 0.02 -0.16 -0.04 7.13 7.09 2d33D1 TRP 100 HH2 0.13 -0.05 -0.01 -0.04 7.19 7.22 2d33D1 PRO 101 HA -0.02 0.23 0.62 -0.51 4.44 4.76 2d33D1 PRO 101 HB2 -0.21 0.01 0.08 -0.04 2.28 2.12 2d33D1 PRO 101 HB3 0.13 0.05 0.00 -0.04 2.02 2.17 2d33D1 PRO 101 HG2 -0.54 -0.04 0.06 -0.04 2.03 1.47 2d33D1 PRO 101 HG3 -0.17 -0.04 0.07 -0.04 2.03 1.85 2d33D1 PRO 101 HD2 -1.57 -0.04 0.21 -0.04 3.68 2.23 2d33D1 PRO 101 HD3 -0.34 0.18 0.31 -0.04 3.65 3.75 2d33D1 LEU 102 H -0.63 0.10 -0.26 -0.55 8.37 7.03 2d33D1 LEU 102 HA -0.22 0.23 0.89 -0.75 4.35 4.48 2d33D1 LEU 102 HB2 -0.14 0.11 -0.02 -0.04 1.64 1.55 2d33D1 LEU 102 HB3 -0.11 -0.08 0.14 -0.04 1.64 1.55 2d33D1 LEU 102 HG -0.75 -0.06 -0.20 -0.04 1.64 0.59 2d33D1 LEU 102 HD13 -0.30 -0.03 -0.01 -0.04 0.93 0.55 2d33D1 LEU 102 HD23 -0.43 0.05 -0.01 -0.04 0.89 0.46 2d33D1 SER 103 H -0.02 0.17 0.22 -0.55 8.46 8.29 2d33D1 SER 103 HA 0.08 0.16 0.59 -0.75 4.49 4.57 2d33D1 SER 103 HB2 0.03 -0.08 0.25 -0.04 3.95 4.10 2d33D1 SER 103 HB3 0.04 0.03 0.13 -0.04 3.93 4.09 2d33D1 MET 104 H 0.08 0.02 0.04 -0.55 8.47 8.07 2d33D1 MET 104 HA 0.03 0.19 0.66 -0.75 4.52 4.64 2d33D1 MET 104 HB2 0.06 -0.08 0.11 -0.04 2.15 2.19 2d33D1 MET 104 HB3 -0.09 0.05 0.09 -0.04 2.03 2.03 2d33D1 MET 104 HG2 -0.01 -0.13 0.14 -0.04 2.63 2.59 2d33D1 MET 104 HG3 -0.07 0.17 0.14 -0.04 2.56 2.76 2d33D1 MET 104 HE3 -0.71 0.00 -0.02 -0.04 2.10 1.33 2d33D1 PRO 105 HA -0.08 0.09 0.64 -0.51 4.44 4.58 2d33D1 PRO 105 HB2 -0.16 0.11 0.00 -0.04 2.28 2.20 2d33D1 PRO 105 HB3 -0.20 0.06 0.07 -0.04 2.02 1.92 2d33D1 PRO 105 HG2 0.25 -0.06 -0.05 -0.04 2.03 2.13 2d33D1 PRO 105 HG3 0.13 0.15 -0.06 -0.04 2.03 2.20 2d33D1 PRO 105 HD2 0.17 -0.00 0.20 -0.04 3.68 4.00 2d33D1 PRO 105 HD3 0.15 0.33 0.23 -0.04 3.65 4.31 2d33D1 SER 106 H -0.46 0.18 0.06 -0.55 8.46 7.70 2d33D1 SER 106 HA -0.05 0.15 0.34 -0.75 4.49 4.18 2d33D1 SER 106 HB2 -0.51 -0.17 0.22 -0.04 3.95 3.45 2d33D1 SER 106 HB3 -0.11 0.01 0.14 -0.04 3.93 3.93 2d33D1 TYR 107 H -0.32 0.09 0.09 -0.55 8.29 7.60 2d33D1 TYR 107 HA -0.05 -0.01 0.30 -0.75 4.56 4.05 2d33D1 TYR 107 HB2 -0.21 0.30 -0.15 -0.04 3.06 2.96 2d33D1 TYR 107 HB3 -0.09 -0.07 0.09 -0.04 2.98 2.87 2d33D1 TYR 107 HD2 -0.15 0.11 -0.05 -0.04 7.15 7.02 2d33D1 TYR 107 HE2 0.10 0.03 0.00 -0.04 6.85 6.94 2d33D1 ILE 108 H -0.03 0.08 -0.58 -0.55 8.25 7.17 2d33D1 ILE 108 HA -0.02 0.09 0.52 -0.75 4.18 4.01 2d33D1 ILE 108 HB -0.05 -0.03 -0.06 -0.04 1.89 1.72 2d33D1 ILE 108 HG12 -0.05 -0.01 0.12 -0.04 1.49 1.50 2d33D1 ILE 108 HG13 -0.10 0.25 -0.31 -0.04 1.21 1.01 2d33D1 ILE 108 HG23 -0.06 0.01 -0.18 -0.04 0.93 0.65 2d33D1 ILE 108 HD13 -0.05 -0.01 -0.04 -0.04 0.88 0.75 2d33D1 ALA 109 H -0.03 0.12 -0.01 -0.55 8.40 7.93 2d33D1 ALA 109 HA -0.06 0.04 0.57 -0.75 4.34 4.13 2d33D1 ALA 109 HB3 -0.02 0.02 0.01 -0.04 1.41 1.38 2d33D1 GLU 110 H -0.09 0.10 0.16 -0.55 8.60 8.22 2d33D1 GLU 110 HA -0.16 0.00 0.47 -0.75 4.29 3.86 2d33D1 GLY 111 H -0.08 0.05 0.21 -0.55 8.43 8.06 2d33D1 GLY 111 HA2 -0.03 0.00 0.39 -0.51 4.01 3.86 2d33D1 GLY 111 HA3 -0.03 0.05 0.48 -0.51 4.01 3.99 2d33D1 GLN 112 H -0.05 0.17 -0.11 -0.55 8.47 7.93 2d33D1 GLN 112 HA -0.02 0.09 0.59 -0.75 4.36 4.26 2d33D1 GLN 112 HB2 -0.03 0.06 0.05 -0.04 2.15 2.18 2d33D1 GLN 112 HB3 -0.03 -0.02 -0.05 -0.04 2.02 1.88 2d33D1 GLN 112 HG2 -0.02 0.04 -0.11 -0.04 2.40 2.27 2d33D1 GLN 112 HG3 -0.02 -0.02 0.07 -0.04 2.39 2.38 2d33D1 GLN 112 HE21 -0.02 0.04 0.08 -0.04 6.97 7.02 2d33D1 GLN 112 HE22 -0.02 0.07 -0.05 -0.04 7.69 7.65 2d33D1 ASP 113 H -0.01 0.12 0.03 -0.55 8.40 8.00 2d33D1 ASP 113 HA -0.00 0.17 0.67 -0.75 4.63 4.71 2d33D1 ASP 113 HB2 -0.01 -0.03 0.17 -0.04 2.71 2.80 2d33D1 ASP 113 HB3 -0.01 -0.00 0.05 -0.04 2.70 2.70 2d33D1 ILE 114 H 0.02 0.30 0.00 -0.55 8.25 8.03 2d33D1 ILE 114 HA 0.02 0.11 0.60 -0.75 4.18 4.16 2d33D1 ILE 114 HB 0.13 -0.02 0.07 -0.04 1.89 2.03 2d33D1 ILE 114 HG12 0.03 0.05 -0.15 -0.04 1.49 1.37 2d33D1 ILE 114 HG13 0.07 0.01 -0.18 -0.04 1.21 1.07 2d33D1 ILE 114 HG23 0.12 0.04 -0.21 -0.04 0.93 0.84 2d33D1 ILE 114 HD13 0.01 0.01 -0.17 -0.04 0.88 0.68 2d33D1 GLU 115 H -0.01 0.19 0.10 -0.55 8.60 8.33 2d33D1 GLU 115 HA -0.05 0.02 0.43 -0.75 4.29 3.93 2d33D1 GLU 115 HB2 -0.04 0.03 0.11 -0.04 2.09 2.15 2d33D1 GLU 115 HB3 -0.05 -0.06 0.11 -0.04 1.99 1.96 2d33D1 GLU 115 HG2 -0.09 0.24 -0.18 -0.04 2.34 2.27 2d33D1 GLU 115 HG3 -0.07 -0.05 0.04 -0.04 2.34 2.23 2d33D1 LEU 116 H -0.11 0.08 0.19 -0.55 8.37 7.98 2d33D1 LEU 116 HA -0.40 0.12 0.54 -0.75 4.35 3.86 2d33D1 LEU 116 HB2 -0.17 -0.07 0.04 -0.04 1.64 1.40 2d33D1 LEU 116 HB3 -0.30 0.11 0.11 -0.04 1.64 1.52 2d33D1 LEU 116 HG -0.11 -0.05 0.09 -0.04 1.64 1.53 2d33D1 LEU 116 HD13 -0.10 -0.00 -0.03 -0.04 0.93 0.75 2d33D1 LEU 116 HD23 -0.36 0.01 -0.05 -0.04 0.89 0.45 2d33D1 ALA 117 H -0.36 0.61 0.25 -0.55 8.40 8.36 2d33D1 ALA 117 HA -0.29 -0.08 0.22 -0.75 4.34 3.44 2d33D1 ALA 117 HB3 -0.32 0.03 -0.25 -0.04 1.41 0.82 2d33D1 GLN 118 H -0.39 0.13 0.14 -0.55 8.47 7.80 2d33D1 GLN 118 HA -0.24 0.17 0.81 -0.75 4.36 4.35 2d33D1 GLN 118 HB2 -0.16 -0.04 0.17 -0.04 2.15 2.08 2d33D1 GLN 118 HB3 -0.11 -0.08 0.02 -0.04 2.02 1.80 2d33D1 GLN 118 HG2 -0.16 0.16 -0.02 -0.04 2.40 2.34 2d33D1 GLN 118 HG3 -0.09 -0.05 -0.00 -0.04 2.39 2.20 2d33D1 GLN 118 HE21 -0.11 -0.08 -0.14 -0.04 6.97 6.60 2d33D1 GLN 118 HE22 -0.15 0.77 -0.34 -0.04 7.69 7.93 2d33D1 TYR 119 H -0.04 0.26 0.06 -0.55 8.29 8.02 2d33D1 TYR 119 HA -0.01 0.15 0.85 -0.75 4.56 4.80 2d33D1 TYR 119 HB2 0.02 0.15 0.09 -0.04 3.06 3.29 2d33D1 TYR 119 HB3 0.02 -0.10 0.17 -0.04 2.98 3.03 2d33D1 TYR 119 HD2 0.01 -0.06 -0.16 -0.04 7.15 6.89 2d33D1 TYR 119 HE2 -0.02 0.04 -0.27 -0.04 6.85 6.56 2d33D1 GLY 120 H -0.00 0.09 -0.15 -0.55 8.43 7.82 2d33D1 GLY 120 HA2 0.00 0.06 0.29 -0.51 4.01 3.85 2d33D1 GLY 120 HA3 0.03 0.02 0.40 -0.51 4.01 3.94 2d33D1 THR 121 H -0.01 0.08 0.19 -0.55 8.28 8.00 2d33D1 THR 121 HA -0.05 0.24 0.36 -0.75 4.39 4.19 2d33D1 THR 121 HB -0.06 0.05 0.10 -0.04 4.32 4.36 2d33D1 THR 121 HG23 -0.03 -0.01 -0.08 -0.04 1.22 1.06 2d33D1 SER 122 H -0.03 0.01 0.04 -0.55 8.46 7.94 2d33D1 SER 122 HA -0.10 0.25 0.52 -0.75 4.49 4.40 2d33D1 SER 122 HB2 -0.09 -0.01 0.03 -0.04 3.95 3.84 2d33D1 SER 122 HB3 -0.04 0.10 -0.17 -0.04 3.93 3.78 2d33D1 ASN 123 H -0.28 0.23 0.16 -0.55 8.53 8.10 2d33D1 ASN 123 HA -0.26 0.10 0.41 -0.75 4.76 4.25 2d33D1 ASN 123 HB2 -0.99 -0.04 0.13 -0.04 2.88 1.94 2d33D1 ASN 123 HB3 -2.93 0.06 -0.05 -0.04 2.79 -0.17 2d33D1 ASN 123 HD21 -0.32 0.34 -0.06 -0.04 7.03 6.95 2d33D1 ASN 123 HD22 -1.51 -0.04 -0.02 -0.04 7.74 6.12 2d33D1 THR 124 H -0.20 0.09 -0.16 -0.55 8.28 7.45 2d33D1 THR 124 HA 0.29 0.13 0.42 -0.75 4.39 4.47 2d33D1 THR 124 HB 0.05 -0.06 0.03 -0.04 4.32 4.30 2d33D1 THR 124 HG23 0.13 0.04 -0.12 -0.04 1.22 1.22 2d33D1 GLY 125 H 0.02 0.02 -0.22 -0.55 8.43 7.71 2d33D1 GLY 125 HA2 0.12 0.04 0.42 -0.51 4.01 4.08 2d33D1 GLY 125 HA3 0.10 0.22 0.14 -0.51 4.01 3.96 2d33D1 ARG 126 H 0.01 0.77 -0.26 -0.55 8.46 8.43 2d33D1 ARG 126 HA 0.02 0.03 0.25 -0.75 4.34 3.88 2d33D1 ARG 126 HB2 -0.18 0.06 0.02 -0.04 1.90 1.76 2d33D1 ARG 126 HB3 -0.26 -0.06 -0.03 -0.04 1.80 1.41 2d33D1 ARG 126 HG2 -0.13 -0.05 -0.01 -0.04 1.67 1.44 2d33D1 ARG 126 HG3 -0.09 0.04 -0.08 -0.04 1.67 1.51 2d33D1 ARG 126 HD2 -0.18 -0.04 0.01 -0.04 3.22 2.97 2d33D1 ARG 126 HD3 -0.24 0.11 -0.16 -0.04 3.22 2.89 2d33D1 PHE 127 H 0.35 0.46 -0.32 -0.55 8.34 8.28 2d33D1 PHE 127 HA 0.34 -0.01 0.39 -0.75 4.62 4.59 2d33D1 PHE 127 HB2 0.52 0.04 0.10 -0.04 3.15 3.76 2d33D1 PHE 127 HB3 0.29 0.10 0.19 -0.04 3.06 3.60 2d33D1 PHE 127 HD2 0.14 0.03 -0.13 -0.04 7.28 7.28 2d33D1 PHE 127 HE2 -0.05 0.01 -0.05 -0.04 7.38 7.24 2d33D1 PHE 127 HZ -0.03 -0.02 -0.05 -0.04 7.32 7.18 2d33D1 LYS 128 H 0.30 0.62 -0.13 -0.55 8.42 8.66 2d33D1 LYS 128 HA 0.16 0.01 0.41 -0.75 4.32 4.15 2d33D1 LYS 128 HB2 0.01 0.06 0.14 -0.04 1.87 2.05 2d33D1 LYS 128 HB3 -0.02 0.01 -0.02 -0.04 1.79 1.73 2d33D1 LYS 128 HG2 0.19 -0.05 -0.01 -0.04 1.46 1.54 2d33D1 LYS 128 HG3 0.20 0.08 0.01 -0.04 1.46 1.71 2d33D1 LYS 128 HD2 -0.44 -0.04 -0.06 -0.04 1.69 1.11 2d33D1 LYS 128 HD3 -0.31 0.04 -0.05 -0.04 1.68 1.33 2d33D1 THR 129 H 0.19 0.50 -0.24 -0.55 8.28 8.18 2d33D1 THR 129 HA 0.09 0.12 0.37 -0.75 4.39 4.21 2d33D1 THR 129 HB 0.05 0.08 0.13 -0.04 4.32 4.53 2d33D1 THR 129 HG23 -0.05 -0.02 -0.05 -0.04 1.22 1.05 2d33D1 LEU 130 H 0.05 0.43 -0.29 -0.55 8.37 8.02 2d33D1 LEU 130 HA 0.00 0.05 0.28 -0.75 4.35 3.93 2d33D1 LEU 130 HB2 0.08 0.05 0.04 -0.04 1.64 1.76 2d33D1 LEU 130 HB3 0.02 0.08 0.12 -0.04 1.64 1.81 2d33D1 LEU 130 HG 0.02 -0.10 -0.46 -0.04 1.64 1.06 2d33D1 LEU 130 HD13 0.03 -0.01 -0.27 -0.04 0.93 0.65 2d33D1 LEU 130 HD23 0.23 0.01 -0.12 -0.04 0.89 0.98 2d33D1 TYR 131 H -0.03 0.55 -0.26 -0.55 8.29 8.00 2d33D1 TYR 131 HA -0.13 -0.09 0.35 -0.75 4.56 3.93 2d33D1 TYR 131 HB2 -0.44 -0.03 0.08 -0.04 3.06 2.63 2d33D1 TYR 131 HB3 -0.15 0.22 0.15 -0.04 2.98 3.17 2d33D1 TYR 131 HD2 0.02 0.02 -0.02 -0.04 7.15 7.13 2d33D1 TYR 131 HE2 0.12 -0.01 -0.09 -0.04 6.85 6.83 2d33D1 ARG 132 H -0.01 0.34 -0.53 -0.55 8.46 7.71 2d33D1 ARG 132 HA -0.11 0.01 0.41 -0.75 4.34 3.90 2d33D1 ARG 132 HB2 -0.14 0.14 0.21 -0.04 1.90 2.07 2d33D1 ARG 132 HB3 -0.48 -0.06 0.08 -0.04 1.80 1.30 2d33D1 ARG 132 HG2 -0.08 -0.05 0.08 -0.04 1.67 1.57 2d33D1 ARG 132 HG3 0.06 -0.07 -0.03 -0.04 1.67 1.59 2d33D1 ARG 132 HD2 0.15 0.09 -0.08 -0.04 3.22 3.33 2d33D1 ARG 132 HD3 -0.15 -0.06 0.11 -0.04 3.22 3.08 2d33D1 GLU 133 H -0.05 0.54 -0.01 -0.55 8.60 8.53 2d33D1 GLU 133 HA -0.02 -0.06 0.48 -0.75 4.29 3.95 2d33D1 GLU 133 HB2 -0.03 -0.04 0.12 -0.04 2.09 2.10 2d33D1 GLU 133 HB3 -0.02 0.13 0.13 -0.04 1.99 2.19 2d33D1 GLU 133 HG2 -0.01 0.12 0.03 -0.04 2.34 2.44 2d33D1 GLU 133 HG3 -0.02 0.19 -0.10 -0.04 2.34 2.37 2d33D1 GLY 134 H -0.05 0.59 -0.21 -0.55 8.43 8.21 2d33D1 GLY 134 HA2 -0.09 0.22 0.59 -0.51 4.01 4.23 2d33D1 GLY 134 HA3 -0.08 -0.12 0.39 -0.51 4.01 3.69 2d33D1 LEU 135 H -0.15 0.57 0.00 -0.55 8.37 8.24 2d33D1 LEU 135 HA -0.02 0.00 0.48 -0.75 4.35 4.06 2d33D1 LEU 135 HB2 0.20 0.09 0.12 -0.04 1.64 2.01 2d33D1 LEU 135 HB3 0.15 -0.01 0.00 -0.04 1.64 1.74 2d33D1 LEU 135 HG -0.62 0.23 0.09 -0.04 1.64 1.30 2d33D1 LEU 135 HD13 -0.05 -0.02 -0.06 -0.04 0.93 0.76 2d33D1 LEU 135 HD23 0.07 -0.03 -0.01 -0.04 0.89 0.89 2d33D1 LYS 136 H 0.13 0.76 -0.16 -0.55 8.42 8.60 2d33D1 LYS 136 HA 0.10 -0.05 0.15 -0.75 4.32 3.77 2d33D1 LYS 136 HB2 0.32 0.01 0.09 -0.04 1.87 2.25 2d33D1 LYS 136 HB3 0.08 0.17 0.22 -0.04 1.79 2.21 2d33D1 LYS 136 HG2 0.05 -0.00 -0.18 -0.04 1.46 1.29 2d33D1 LYS 136 HG3 0.14 -0.17 0.05 -0.04 1.46 1.44 2d33D1 LYS 136 HD2 0.04 -0.07 0.01 -0.04 1.69 1.63 2d33D1 LYS 136 HD3 0.07 0.01 0.02 -0.04 1.68 1.74 2d33D1 LYS 136 HE2 0.02 0.06 0.06 -0.04 2.99 3.09 2d33D1 LYS 136 HE3 0.01 0.06 -0.07 -0.04 2.99 2.96 2d33D1 ASN 137 H -0.04 0.69 -0.05 -0.55 8.53 8.59 2d33D1 ASN 137 HA -0.04 -0.05 0.39 -0.75 4.76 4.31 2d33D1 ASN 137 HB2 -0.08 0.18 0.14 -0.04 2.88 3.08 2d33D1 ASN 137 HB3 -0.05 -0.06 0.06 -0.04 2.79 2.69 2d33D1 ASN 137 HD21 -0.02 -0.15 0.01 -0.04 7.03 6.84 2d33D1 ASN 137 HD22 -0.03 0.31 0.03 -0.04 7.74 8.01 2d33D1 ARG 138 H -0.25 0.43 -0.24 -0.55 8.46 7.85 2d33D1 ARG 138 HA -0.31 0.04 0.67 -0.75 4.34 4.00 2d33D1 ARG 138 HB2 -1.02 0.03 0.17 -0.04 1.90 1.03 2d33D1 ARG 138 HB3 -1.41 -0.06 0.03 -0.04 1.80 0.31 2d33D1 ARG 138 HG2 -1.07 -0.09 -0.00 -0.04 1.67 0.47 2d33D1 ARG 138 HG3 -0.48 0.22 0.06 -0.04 1.67 1.43 2d33D1 ARG 138 HD2 -0.45 -0.06 -0.13 -0.04 3.22 2.54 2d33D1 ARG 138 HD3 -1.04 0.02 -0.02 -0.04 3.22 2.13 2d33D1 TYR 139 H -0.13 0.63 0.09 -0.55 8.29 8.32 2d33D1 TYR 139 HA 0.01 0.19 1.06 -0.75 4.56 5.06 2d33D1 TYR 139 HB2 -0.07 0.06 0.01 -0.04 3.06 3.02 2d33D1 TYR 139 HB3 -0.03 -0.02 0.17 -0.04 2.98 3.06 2d33D1 TYR 139 HD2 -0.00 0.03 0.03 -0.04 7.15 7.17 2d33D1 TYR 139 HE2 -0.00 -0.02 0.02 -0.04 6.85 6.80 2d33D1 GLY 140 H 0.00 0.58 0.09 -0.55 8.43 8.55 2d33D1 GLY 140 HA2 -0.00 -0.00 0.49 -0.51 4.01 3.99 2d33D1 GLY 140 HA3 -0.01 0.06 0.69 -0.51 4.01 4.25 2d33D1 ALA 141 H -0.00 0.13 0.21 -0.55 8.40 8.20 2d33D1 ALA 141 HA -0.15 0.14 0.40 -0.75 4.34 3.97 2d33D1 ALA 141 HB3 0.12 0.01 0.10 -0.04 1.41 1.59 2d33D1 LEU 142 H -0.08 0.03 -0.09 -0.55 8.37 7.69 2d33D1 LEU 142 HA -0.10 0.04 0.21 -0.75 4.35 3.76 2d33D1 LEU 142 HB2 -0.19 -0.15 0.11 -0.04 1.64 1.38 2d33D1 LEU 142 HB3 -0.22 0.08 0.08 -0.04 1.64 1.55 2d33D1 LEU 142 HG -0.87 0.07 -0.26 -0.04 1.64 0.54 2d33D1 LEU 142 HD13 -0.31 0.00 -0.18 -0.04 0.93 0.40 2d33D1 LEU 142 HD23 -0.82 -0.03 -0.18 -0.04 0.89 -0.18 2d33D1 MET 143 H -0.05 0.20 -0.22 -0.55 8.47 7.85 2d33D1 MET 143 HA 0.29 0.05 0.30 -0.75 4.52 4.40 2d33D1 MET 143 HB2 0.07 0.08 0.08 -0.04 2.15 2.34 2d33D1 MET 143 HB3 -0.03 0.14 0.05 -0.04 2.03 2.15 2d33D1 MET 143 HG2 -0.19 -0.04 -0.55 -0.04 2.63 1.81 2d33D1 MET 143 HG3 -0.09 0.07 -0.05 -0.04 2.56 2.44 2d33D1 MET 143 HE3 -0.80 -0.01 -0.08 -0.04 2.10 1.17 2d33D1 GLN 144 H -0.20 0.25 -0.60 -0.55 8.47 7.38 2d33D1 GLN 144 HA 0.06 0.09 0.40 -0.75 4.36 4.17 2d33D1 GLN 144 HB2 -1.21 0.16 0.07 -0.04 2.15 1.13 2d33D1 GLN 144 HB3 -1.10 -0.15 0.10 -0.04 2.02 0.83 2d33D1 GLN 144 HG2 -0.43 0.14 -0.06 -0.04 2.40 2.01 2d33D1 GLN 144 HG3 -1.32 -0.07 -0.08 -0.04 2.39 0.88 2d33D1 GLN 144 HE21 -0.03 -0.01 -0.07 -0.04 6.97 6.82 2d33D1 GLN 144 HE22 -0.10 0.08 -0.10 -0.04 7.69 7.53 2d33D1 THR 145 H 0.06 0.56 -0.37 -0.55 8.28 7.97 2d33D1 THR 145 HA 0.11 0.13 0.90 -0.75 4.39 4.77 2d33D1 THR 145 HB 0.07 -0.09 0.11 -0.04 4.32 4.38 2d33D1 THR 145 HG23 0.09 0.00 -0.13 -0.04 1.22 1.15 2d33D1 ILE 146 H 0.16 0.32 -0.20 -0.55 8.25 7.98 2d33D1 ILE 146 HA 0.10 0.22 0.83 -0.75 4.18 4.57 2d33D1 ILE 146 HB 0.19 0.15 0.15 -0.04 1.89 2.34 2d33D1 ILE 146 HG12 -0.03 -0.08 0.08 -0.04 1.49 1.41 2d33D1 ILE 146 HG13 0.22 -0.02 0.06 -0.04 1.21 1.43 2d33D1 ILE 146 HG23 0.03 -0.04 -0.11 -0.04 0.93 0.77 2d33D1 ILE 146 HD13 0.02 0.00 0.02 -0.04 0.88 0.88 2d33D1 SER 147 H 0.08 0.51 0.34 -0.55 8.46 8.84 2d33D1 SER 147 HA -0.04 0.18 0.93 -0.75 4.49 4.80 2d33D1 SER 147 HB2 0.04 -0.02 -0.07 -0.04 3.95 3.86 2d33D1 SER 147 HB3 0.07 -0.04 -0.19 -0.04 3.93 3.73 2d33D1 GLY 148 H -0.04 0.16 0.16 -0.55 8.43 8.16 2d33D1 GLY 148 HA2 0.05 0.01 0.56 -0.51 4.01 4.11 2d33D1 GLY 148 HA3 0.03 0.13 0.30 -0.51 4.01 3.96 2d33D1 VAL 149 H 0.13 0.68 0.17 -0.55 8.24 8.67 2d33D1 VAL 149 HA 0.05 0.26 1.12 -0.75 4.13 4.82 2d33D1 VAL 149 HB 0.11 -0.02 -0.00 -0.04 2.12 2.17 2d33D1 VAL 149 HG13 0.14 -0.02 -0.19 -0.04 0.97 0.86 2d33D1 VAL 149 HG23 0.08 0.01 -0.11 -0.04 0.95 0.89 2d33D1 HIS 150 H 0.10 0.45 0.27 -0.55 8.41 8.69 2d33D1 HIS 150 HA 0.13 0.34 1.16 -0.75 4.63 5.51 2d33D1 HIS 150 HB2 0.11 -0.10 0.04 -0.04 3.26 3.27 2d33D1 HIS 150 HB3 0.11 -0.02 -0.13 -0.04 3.20 3.12 2d33D1 HIS 150 HD2 0.06 0.13 -0.66 -0.04 6.97 6.46 2d33D1 HIS 150 HE1 0.05 0.01 -0.14 -0.04 7.75 7.62 2d33D1 TYR 151 H 0.30 0.64 0.34 -0.55 8.29 9.02 2d33D1 TYR 151 HA 0.13 0.20 1.02 -0.75 4.56 5.16 2d33D1 TYR 151 HB2 0.12 -0.00 -0.08 -0.04 3.06 3.06 2d33D1 TYR 151 HB3 0.13 -0.00 0.16 -0.04 2.98 3.22 2d33D1 TYR 151 HD2 0.10 -0.03 -0.07 -0.04 7.15 7.11 2d33D1 TYR 151 HE2 0.05 -0.03 -0.15 -0.04 6.85 6.68 2d33D1 ASN 152 H -0.20 0.62 0.39 -0.55 8.53 8.79 2d33D1 ASN 152 HA 0.05 0.26 1.02 -0.75 4.76 5.33 2d33D1 ASN 152 HB2 -0.13 -0.04 0.14 -0.04 2.88 2.81 2d33D1 ASN 152 HB3 -0.17 -0.01 -0.07 -0.04 2.79 2.50 2d33D1 ASN 152 HD21 0.19 -0.01 -0.34 -0.04 7.03 6.82 2d33D1 ASN 152 HD22 0.08 0.26 -0.25 -0.04 7.74 7.79 2d33D1 PHE 153 H 0.16 0.63 0.37 -0.55 8.34 8.95 2d33D1 PHE 153 HA -0.21 0.30 1.13 -0.75 4.62 5.09 2d33D1 PHE 153 HB2 -0.38 -0.03 -0.31 -0.04 3.15 2.40 2d33D1 PHE 153 HB3 -0.04 0.01 0.02 -0.04 3.06 3.01 2d33D1 PHE 153 HD2 0.12 -0.05 -0.17 -0.04 7.28 7.14 2d33D1 PHE 153 HE2 0.07 -0.01 -0.13 -0.04 7.38 7.27 2d33D1 PHE 153 HZ -0.09 0.01 -0.17 -0.04 7.32 7.03 2d33D1 SER 154 H -0.66 0.62 0.37 -0.55 8.46 8.24 2d33D1 SER 154 HA -0.13 0.07 0.63 -0.75 4.49 4.31 2d33D1 SER 154 HB2 0.10 0.17 0.19 -0.04 3.95 4.38 2d33D1 SER 154 HB3 0.01 -0.01 0.14 -0.04 3.93 4.03 2d33D1 LEU 155 H 0.18 0.15 0.15 -0.55 8.37 8.31 2d33D1 LEU 155 HA -0.30 0.09 0.62 -0.75 4.35 4.01 2d33D1 LEU 155 HB2 -0.19 -0.03 0.08 -0.04 1.64 1.46 2d33D1 LEU 155 HB3 -0.62 0.11 0.02 -0.04 1.64 1.11 2d33D1 LEU 155 HG -0.09 -0.10 -0.11 -0.04 1.64 1.30 2d33D1 LEU 155 HD13 -0.77 0.01 -0.06 -0.04 0.93 0.08 2d33D1 LEU 155 HD23 -0.65 0.01 -0.00 -0.04 0.89 0.20 2d33D1 PRO 156 HA 0.02 0.09 0.45 -0.51 4.44 4.49 2d33D1 PRO 156 HB2 0.02 -0.20 -0.03 -0.04 2.28 2.04 2d33D1 PRO 156 HB3 -0.01 0.18 0.01 -0.04 2.02 2.15 2d33D1 PRO 156 HG2 0.01 -0.02 -0.09 -0.04 2.03 1.89 2d33D1 PRO 156 HG3 -0.02 0.08 -0.64 -0.04 2.03 1.41 2d33D1 PRO 156 HD2 -0.19 0.09 0.15 -0.04 3.68 3.69 2d33D1 PRO 156 HD3 -0.12 0.13 -0.16 -0.04 3.65 3.46 2d33D1 MET 157 H 0.10 0.16 0.16 -0.55 8.47 8.34 2d33D1 MET 157 HA 0.34 0.11 0.52 -0.75 4.52 4.73 2d33D1 MET 157 HB2 0.10 -0.00 0.17 -0.04 2.15 2.38 2d33D1 MET 157 HB3 0.11 0.02 -0.05 -0.04 2.03 2.06 2d33D1 MET 157 HG2 0.10 0.00 0.04 -0.04 2.63 2.73 2d33D1 MET 157 HG3 0.15 -0.01 0.05 -0.04 2.56 2.71 2d33D1 MET 157 HE3 0.09 0.00 0.03 -0.04 2.10 2.19 2d33D1 ALA 158 H 0.06 0.09 -0.15 -0.55 8.40 7.86 2d33D1 ALA 158 HA 0.06 0.02 0.34 -0.75 4.34 4.00 2d33D1 ALA 158 HB3 0.03 0.02 -0.01 -0.04 1.41 1.42 2d33D1 PHE 159 H 0.07 0.20 -0.41 -0.55 8.34 7.64 2d33D1 PHE 159 HA -0.08 0.00 0.40 -0.75 4.62 4.19 2d33D1 PHE 159 HB2 -0.28 0.18 0.16 -0.04 3.15 3.17 2d33D1 PHE 159 HB3 -0.74 0.06 0.04 -0.04 3.06 2.38 2d33D1 PHE 159 HD2 -1.29 0.02 -0.18 -0.04 7.28 5.79 2d33D1 PHE 159 HE2 -0.48 -0.02 -0.09 -0.04 7.38 6.75 2d33D1 PHE 159 HZ -0.24 0.05 -0.13 -0.04 7.32 6.95 2d33D1 TRP 160 H -0.03 0.25 -0.14 -0.55 7.97 7.50 2d33D1 TRP 160 HA -0.09 0.10 0.49 -0.75 4.62 4.37 2d33D1 TRP 160 HB2 0.04 0.04 0.02 -0.04 3.23 3.29 2d33D1 TRP 160 HB3 -0.00 -0.09 -0.21 -0.04 3.23 2.89 2d33D1 TRP 160 HD1 0.07 -0.02 -0.02 -0.04 7.22 7.21 2d33D1 TRP 160 HE1 -0.02 0.04 -0.06 -0.04 10.20 10.12 2d33D1 TRP 160 HE3 -0.02 0.02 -0.01 -0.04 7.59 7.54 2d33D1 TRP 160 HZ2 -1.17 -0.04 -0.07 -0.04 7.44 6.12 2d33D1 TRP 160 HZ3 0.02 0.04 0.04 -0.04 7.13 7.18 2d33D1 TRP 160 HH2 -0.30 0.06 -0.17 -0.04 7.19 6.74 2d33D1 GLN 161 H 0.15 0.45 -0.22 -0.55 8.47 8.29 2d33D1 GLN 161 HA 0.09 -0.00 0.35 -0.75 4.36 4.05 2d33D1 GLN 161 HB2 0.07 0.07 0.06 -0.04 2.15 2.32 2d33D1 GLN 161 HB3 0.06 -0.08 0.18 -0.04 2.02 2.14 2d33D1 GLN 161 HG2 0.07 -0.05 0.02 -0.04 2.40 2.40 2d33D1 GLN 161 HG3 0.13 0.02 -0.03 -0.04 2.39 2.47 2d33D1 GLN 161 HE21 0.07 -0.06 -0.06 -0.04 6.97 6.87 2d33D1 GLN 161 HE22 0.09 0.02 -0.04 -0.04 7.69 7.71 2d33D1 ALA 162 H -0.00 0.42 -0.96 -0.55 8.40 7.31 2d33D1 ALA 162 HA 0.07 0.11 0.66 -0.75 4.34 4.43 2d33D1 ALA 162 HB3 0.09 0.03 -0.07 -0.04 1.41 1.41 2d33D1 LYS 173 HA -0.10 0.01 0.29 -0.75 4.32 3.77 2d33D1 LYS 173 HB2 -0.03 0.06 0.08 -0.04 1.87 1.94 2d33D1 LYS 173 HB3 -0.02 -0.03 0.04 -0.04 1.79 1.75 2d33D1 LYS 173 HG2 -0.06 -0.15 -0.39 -0.04 1.46 0.82 2d33D1 LYS 173 HG3 -0.04 0.15 0.01 -0.04 1.46 1.54 2d33D1 LYS 173 HD2 -0.02 0.17 -0.19 -0.04 1.69 1.62 2d33D1 LYS 173 HD3 -0.01 -0.03 -0.06 -0.04 1.68 1.55 2d33D1 LYS 173 HE2 0.00 -0.13 -0.19 -0.04 2.99 2.63 2d33D1 LYS 173 HE3 -0.03 -0.08 -0.26 -0.04 2.99 2.58 2d33D1 GLU 174 H -0.03 0.28 0.16 -0.55 8.60 8.46 2d33D1 GLU 174 HA -0.04 0.07 0.72 -0.75 4.29 4.28 2d33D1 GLU 174 HB2 0.02 0.07 0.17 -0.04 2.09 2.31 2d33D1 GLU 174 HB3 0.00 0.04 0.05 -0.04 1.99 2.05 2d33D1 LYS 175 H -0.10 0.21 -0.20 -0.55 8.42 7.78 2d33D1 LYS 175 HA -0.10 0.09 0.57 -0.75 4.32 4.12 2d33D1 LYS 175 HB2 -0.06 -0.01 0.10 -0.04 1.87 1.86 2d33D1 LYS 175 HB3 -0.11 0.08 0.29 -0.04 1.79 2.02 2d33D1 ILE 176 H -0.32 0.10 -0.12 -0.55 8.25 7.36 2d33D1 ILE 176 HA -1.71 0.11 0.53 -0.75 4.18 2.36 2d33D1 ILE 176 HB -0.32 0.18 0.20 -0.04 1.89 1.91 2d33D1 ILE 176 HG23 -0.34 0.01 -0.08 -0.04 0.93 0.49 2d33D1 SER 177 H -0.21 0.36 -0.14 -0.55 8.46 7.91 2d33D1 SER 177 HA -0.15 0.07 0.43 -0.75 4.49 4.09 2d33D1 SER 177 HB2 -0.04 0.08 0.17 -0.04 3.95 4.12 2d33D1 SER 177 HB3 0.01 -0.07 0.04 -0.04 3.93 3.86 2d33D1 ALA 178 H -0.08 0.40 -0.21 -0.55 8.40 7.97 2d33D1 ALA 178 HA 0.24 -0.01 0.42 -0.75 4.34 4.24 2d33D1 ALA 178 HB3 0.01 0.03 0.15 -0.04 1.41 1.55 2d33D1 GLY 179 H -0.29 0.41 -0.34 -0.55 8.43 7.65 2d33D1 GLY 179 HA2 0.09 0.06 0.52 -0.51 4.01 4.17 2d33D1 GLY 179 HA3 -0.19 0.12 0.33 -0.51 4.01 3.76 2d33D1 TYR 180 H -0.20 0.48 -0.08 -0.55 8.29 7.94 2d33D1 TYR 180 HA 0.08 0.09 0.68 -0.75 4.56 4.66 2d33D1 TYR 180 HB2 -0.29 0.05 0.10 -0.04 3.06 2.87 2d33D1 TYR 180 HB3 -0.21 -0.09 -0.04 -0.04 2.98 2.60 2d33D1 TYR 180 HD2 -0.03 -0.01 -0.10 -0.04 7.15 6.97 2d33D1 TYR 180 HE2 0.21 0.04 -0.07 -0.04 6.85 6.99 2d33D1 PHE 181 H 0.04 0.53 -0.18 -0.55 8.34 8.18 2d33D1 PHE 181 HA 0.06 -0.02 0.60 -0.75 4.62 4.51 2d33D1 PHE 181 HB2 0.02 0.12 0.11 -0.04 3.15 3.35 2d33D1 PHE 181 HB3 0.07 0.22 -0.02 -0.04 3.06 3.29 2d33D1 PHE 181 HD2 0.07 0.03 -0.15 -0.04 7.28 7.19 2d33D1 PHE 181 HE2 -0.19 -0.05 -0.11 -0.04 7.38 6.99 2d33D1 PHE 181 HZ -0.23 0.02 -0.09 -0.04 7.32 6.98 2d33D1 ARG 182 H 0.15 0.44 -0.19 -0.55 8.46 8.31 2d33D1 ARG 182 HA 0.10 -0.01 0.46 -0.75 4.34 4.14 2d33D1 ARG 182 HB2 0.07 -0.04 0.19 -0.04 1.90 2.07 2d33D1 ARG 182 HB3 0.09 0.23 0.21 -0.04 1.80 2.29 2d33D1 ARG 182 HG2 -0.01 0.10 -0.05 -0.04 1.67 1.67 2d33D1 ARG 182 HG3 0.01 -0.26 0.11 -0.04 1.67 1.49 2d33D1 ARG 182 HD2 0.02 0.11 0.04 -0.04 3.22 3.35 2d33D1 ARG 182 HD3 -0.08 0.29 -0.27 -0.04 3.22 3.12 2d33D1 VAL 183 H 0.13 0.23 -0.46 -0.55 8.24 7.59 2d33D1 VAL 183 HA 0.05 0.14 0.04 -0.75 4.13 3.61 2d33D1 VAL 183 HB 0.20 0.13 0.15 -0.04 2.12 2.56 2d33D1 VAL 183 HG13 0.07 -0.04 -0.19 -0.04 0.97 0.77 2d33D1 VAL 183 HG23 0.12 0.06 -0.09 -0.04 0.95 1.01 2d33D1 ILE 184 H 0.10 0.52 -0.13 -0.55 8.25 8.20 2d33D1 ILE 184 HA 0.10 -0.04 0.36 -0.75 4.18 3.85 2d33D1 ILE 184 HB 0.10 0.09 0.15 -0.04 1.89 2.19 2d33D1 ILE 184 HG12 -0.11 -0.07 -0.14 -0.04 1.49 1.12 2d33D1 ILE 184 HG13 -0.03 0.11 -0.00 -0.04 1.21 1.24 2d33D1 ILE 184 HG23 -0.41 -0.02 -0.17 -0.04 0.93 0.30 2d33D1 ILE 184 HD13 -0.17 -0.02 -0.14 -0.04 0.88 0.52 2d33D1 ARG 185 H 0.16 0.73 -0.11 -0.55 8.46 8.69 2d33D1 ARG 185 HA 0.16 -0.08 0.37 -0.75 4.34 4.03 2d33D1 ARG 185 HB2 0.13 0.21 0.18 -0.04 1.90 2.38 2d33D1 ARG 185 HB3 0.11 -0.01 -0.02 -0.04 1.80 1.84 2d33D1 ARG 185 HG2 0.10 -0.11 0.01 -0.04 1.67 1.63 2d33D1 ARG 185 HG3 0.16 -0.07 0.05 -0.04 1.67 1.77 2d33D1 ARG 185 HD2 0.07 -0.31 0.01 -0.04 3.22 2.94 2d33D1 ARG 185 HD3 0.12 0.33 0.02 -0.04 3.22 3.65 2d33D1 ASN 186 H 0.15 0.69 -0.19 -0.55 8.53 8.64 2d33D1 ASN 186 HA 0.25 -0.02 0.44 -0.75 4.76 4.68 2d33D1 ASN 186 HB2 0.10 0.21 0.16 -0.04 2.88 3.31 2d33D1 ASN 186 HB3 0.31 -0.14 0.02 -0.04 2.79 2.94 2d33D1 ASN 186 HD21 -0.13 0.09 -0.34 -0.04 7.03 6.60 2d33D1 ASN 186 HD22 -0.12 0.51 0.03 -0.04 7.74 8.13 2d33D1 TYR 187 H 0.31 0.57 -0.20 -0.55 8.29 8.42 2d33D1 TYR 187 HA 0.30 -0.04 0.39 -0.75 4.56 4.46 2d33D1 TYR 187 HB2 0.09 0.06 0.04 -0.04 3.06 3.21 2d33D1 TYR 187 HB3 0.08 0.11 0.12 -0.04 2.98 3.25 2d33D1 TYR 187 HD2 0.07 0.04 -0.18 -0.04 7.15 7.03 2d33D1 TYR 187 HE2 0.13 -0.03 -0.10 -0.04 6.85 6.81 2d33D1 TYR 188 H 0.43 0.65 -0.09 -0.55 8.29 8.73 2d33D1 TYR 188 HA 0.33 0.01 0.57 -0.75 4.56 4.72 2d33D1 TYR 188 HB2 0.10 0.16 0.15 -0.04 3.06 3.44 2d33D1 TYR 188 HB3 0.14 -0.05 -0.01 -0.04 2.98 3.01 2d33D1 TYR 188 HD2 -0.04 0.14 -0.04 -0.04 7.15 7.17 2d33D1 TYR 188 HE2 -0.31 0.00 -0.04 -0.04 6.85 6.46 2d33D1 ARG 189 H 0.14 0.43 -0.16 -0.55 8.46 8.31 2d33D1 ARG 189 HA 0.03 -0.00 0.42 -0.75 4.34 4.04 2d33D1 ARG 189 HB2 -0.65 0.11 0.15 -0.04 1.90 1.47 2d33D1 ARG 189 HB3 -1.14 -0.05 0.06 -0.04 1.80 0.63 2d33D1 ARG 189 HG2 -0.11 -0.11 0.04 -0.04 1.67 1.45 2d33D1 ARG 189 HG3 0.01 0.00 0.03 -0.04 1.67 1.67 2d33D1 ARG 189 HD2 0.03 -0.02 -0.07 -0.04 3.22 3.13 2d33D1 ARG 189 HD3 -0.00 0.06 -0.05 -0.04 3.22 3.19 2d33D1 PHE 190 H 0.09 0.38 -0.21 -0.55 8.34 8.05 2d33D1 PHE 190 HA -0.30 0.22 1.08 -0.75 4.62 4.88 2d33D1 PHE 190 HB2 0.18 0.09 0.00 -0.04 3.15 3.38 2d33D1 PHE 190 HB3 -0.30 -0.10 0.11 -0.04 3.06 2.73 2d33D1 PHE 190 HD2 0.28 0.05 -0.01 -0.04 7.28 7.56 2d33D1 PHE 190 HE2 0.17 0.05 -0.06 -0.04 7.38 7.50 2d33D1 PHE 190 HZ 0.16 0.04 0.06 -0.04 7.32 7.54 2d33D1 GLY 191 H -0.18 0.52 -0.02 -0.55 8.43 8.20 2d33D1 GLY 191 HA2 -0.54 0.00 0.30 -0.51 4.01 3.27 2d33D1 GLY 191 HA3 -0.70 0.20 0.40 -0.51 4.01 3.39 2d33D1 TRP 192 H -1.58 0.20 -0.45 -0.55 7.97 5.59 2d33D1 TRP 192 HA -1.47 0.08 0.47 -0.75 4.62 2.95 2d33D1 TRP 192 HB2 -0.48 -0.01 0.01 -0.04 3.23 2.70 2d33D1 TRP 192 HB3 -1.30 0.00 -0.02 -0.04 3.23 1.88 2d33D1 TRP 192 HD1 -0.59 0.09 -0.11 -0.04 7.22 6.57 2d33D1 TRP 192 HE1 -0.08 0.23 0.15 -0.04 10.20 10.47 2d33D1 TRP 192 HE3 -0.22 -0.06 -0.55 -0.04 7.59 6.72 2d33D1 TRP 192 HZ2 -0.00 0.01 -0.02 -0.04 7.44 7.39 2d33D1 TRP 192 HZ3 -0.17 -0.01 -0.08 -0.04 7.13 6.83 2d33D1 TRP 192 HH2 -0.18 -0.06 -0.06 -0.04 7.19 6.85 2d33D1 VAL 193 H -1.34 0.38 -0.37 -0.55 8.24 6.36 2d33D1 VAL 193 HA -0.11 0.04 0.35 -0.75 4.13 3.65 2d33D1 VAL 193 HB -1.04 0.05 0.08 -0.04 2.12 1.17 2d33D1 VAL 193 HG13 -0.89 0.03 -0.02 -0.04 0.97 0.05 2d33D1 VAL 193 HG23 -0.07 -0.02 -0.05 -0.04 0.95 0.78 2d33D1 ILE 194 H -0.40 0.48 -0.28 -0.55 8.25 7.50 2d33D1 ILE 194 HA -0.20 -0.01 0.43 -0.75 4.18 3.65 2d33D1 ILE 194 HB 0.05 0.24 0.15 -0.04 1.89 2.28 2d33D1 ILE 194 HG12 0.24 -0.05 -0.03 -0.04 1.49 1.61 2d33D1 ILE 194 HG13 -0.13 -0.06 -0.00 -0.04 1.21 0.97 2d33D1 ILE 194 HG23 0.23 -0.02 -0.23 -0.04 0.93 0.87 2d33D1 ILE 194 HD13 0.40 0.01 0.02 -0.04 0.88 1.27 2d33D1 PRO 195 HA 0.07 -0.01 0.54 -0.51 4.44 4.54 2d33D1 PRO 195 HB2 0.13 0.01 -0.08 -0.04 2.28 2.30 2d33D1 PRO 195 HB3 0.19 0.03 0.11 -0.04 2.02 2.30 2d33D1 PRO 195 HG2 0.03 0.20 0.13 -0.04 2.03 2.34 2d33D1 PRO 195 HG3 0.27 0.03 0.08 -0.04 2.03 2.37 2d33D1 PRO 195 HD2 -0.21 0.16 0.09 -0.04 3.68 3.67 2d33D1 PRO 195 HD3 0.20 0.12 0.09 -0.04 3.65 4.02 2d33D1 TYR 196 H 0.07 0.47 -0.39 -0.55 8.29 7.90 2d33D1 TYR 196 HA -0.05 0.05 0.37 -0.75 4.56 4.17 2d33D1 TYR 196 HB2 0.12 -0.00 0.06 -0.04 3.06 3.19 2d33D1 TYR 196 HB3 -0.07 0.08 0.15 -0.04 2.98 3.09 2d33D1 TYR 196 HD2 -0.29 -0.03 -0.11 -0.04 7.15 6.67 2d33D1 TYR 196 HE2 -0.57 0.09 -0.20 -0.04 6.85 6.12 2d33D1 LEU 197 H -0.34 0.58 0.01 -0.55 8.37 8.06 2d33D1 LEU 197 HA -0.76 0.04 0.52 -0.75 4.35 3.40 2d33D1 LEU 197 HB2 -1.54 0.05 0.12 -0.04 1.64 0.23 2d33D1 LEU 197 HB3 -1.70 -0.10 0.02 -0.04 1.64 -0.18 2d33D1 LEU 197 HG -0.39 0.10 0.07 -0.04 1.64 1.38 2d33D1 LEU 197 HD13 -0.82 -0.03 -0.07 -0.04 0.93 -0.03 2d33D1 LEU 197 HD23 -0.65 -0.01 -0.03 -0.04 0.89 0.16 2d33D1 PHE 198 H -0.30 0.59 -0.07 -0.55 8.34 8.01 2d33D1 PHE 198 HA -0.77 0.13 0.91 -0.75 4.62 4.13 2d33D1 PHE 198 HB2 -0.16 0.06 -0.02 -0.04 3.15 2.99 2d33D1 PHE 198 HB3 -0.19 -0.04 0.07 -0.04 3.06 2.87 2d33D1 PHE 198 HD2 -1.09 0.06 -0.07 -0.04 7.28 6.14 2d33D1 PHE 198 HE2 -0.35 -0.01 -0.07 -0.04 7.38 6.91 2d33D1 PHE 198 HZ -0.25 -0.01 -0.15 -0.04 7.32 6.87 2d33D1 GLY 199 H -0.03 0.52 0.08 -0.55 8.43 8.45 2d33D1 GLY 199 HA2 0.12 -0.08 0.47 -0.51 4.01 4.01 2d33D1 GLY 199 HA3 0.07 0.00 0.21 -0.51 4.01 3.79 2d33D1 ALA 200 H 0.09 -0.02 0.20 -0.55 8.40 8.13 2d33D1 ALA 200 HA 0.08 0.14 0.71 -0.75 4.34 4.51 2d33D1 ALA 200 HB3 0.05 0.04 0.08 -0.04 1.41 1.54 2d33D1 SER 201 H 0.05 0.57 0.23 -0.55 8.46 8.78 2d33D1 SER 201 HA 0.01 0.19 0.74 -0.75 4.49 4.68 2d33D1 SER 201 HB2 0.01 0.10 0.27 -0.04 3.95 4.30 2d33D1 SER 201 HB3 0.02 0.07 0.13 -0.04 3.93 4.11 2d33D1 PRO 202 HA 0.09 -0.02 0.24 -0.51 4.44 4.24 2d33D1 PRO 202 HB2 0.07 0.04 -0.01 -0.04 2.28 2.35 2d33D1 PRO 202 HB3 0.05 0.30 -0.06 -0.04 2.02 2.27 2d33D1 PRO 202 HG2 0.01 -0.03 -0.12 -0.04 2.03 1.85 2d33D1 PRO 202 HG3 0.01 0.16 0.01 -0.04 2.03 2.17 2d33D1 PRO 202 HD2 0.00 0.12 -0.10 -0.04 3.68 3.67 2d33D1 PRO 202 HD3 0.03 0.12 -0.06 -0.04 3.65 3.70 2d33D1 ALA 203 H 0.06 0.11 -0.36 -0.55 8.40 7.67 2d33D1 ALA 203 HA 0.24 0.21 1.03 -0.75 4.34 5.07 2d33D1 ALA 203 HB3 0.08 -0.01 -0.10 -0.04 1.41 1.34 2d33D1 ILE 204 H 0.17 0.78 0.29 -0.55 8.25 8.93 2d33D1 ILE 204 HA -0.01 0.11 0.85 -0.75 4.18 4.37 2d33D1 ILE 204 HB 0.08 -0.03 -0.45 -0.04 1.89 1.44 2d33D1 ILE 204 HG12 -0.14 0.06 -0.01 -0.04 1.49 1.36 2d33D1 ILE 204 HG13 -0.31 0.00 0.03 -0.04 1.21 0.89 2d33D1 ILE 204 HG23 -0.05 0.02 -0.22 -0.04 0.93 0.63 2d33D1 ILE 204 HD13 -0.08 0.02 -0.12 -0.04 0.88 0.66 2d33D1 SER 205 H 0.08 0.25 0.16 -0.55 8.46 8.41 2d33D1 SER 205 HA 0.12 0.06 0.73 -0.75 4.49 4.64 2d33D1 SER 205 HB2 0.06 -0.05 0.23 -0.04 3.95 4.14 2d33D1 SER 205 HB3 0.23 0.25 0.23 -0.04 3.93 4.60 2d33D1 SER 206 H 0.16 0.21 0.27 -0.55 8.46 8.55 2d33D1 SER 206 HA 0.00 0.12 0.32 -0.75 4.49 4.18 2d33D1 SER 206 HB2 0.15 0.02 0.06 -0.04 3.95 4.14 2d33D1 SER 206 HB3 0.45 0.08 0.15 -0.04 3.93 4.58 2d33D1 SER 207 H 0.06 -0.01 -0.29 -0.55 8.46 7.68 2d33D1 SER 207 HA -0.06 -0.01 0.37 -0.75 4.49 4.03 2d33D1 SER 207 HB2 -0.14 0.07 -0.04 -0.04 3.95 3.80 2d33D1 SER 207 HB3 -0.19 -0.05 0.11 -0.04 3.93 3.76 2d33D1 PHE 208 H 0.24 0.39 -0.57 -0.55 8.34 7.85 2d33D1 PHE 208 HA -0.04 0.12 0.63 -0.75 4.62 4.57 2d33D1 PHE 208 HB2 -0.06 0.04 0.04 -0.04 3.15 3.13 2d33D1 PHE 208 HB3 -0.03 0.08 0.20 -0.04 3.06 3.27 2d33D1 PHE 208 HD2 -0.01 0.07 0.02 -0.04 7.28 7.33 2d33D1 PHE 208 HE2 0.00 0.04 -0.10 -0.04 7.38 7.28 2d33D1 PHE 208 HZ 0.01 0.06 -0.08 -0.04 7.32 7.27 2d33D1 LEU 209 H -0.07 0.36 -0.35 -0.55 8.37 7.76 2d33D1 LEU 209 HA -0.07 0.26 0.83 -0.75 4.35 4.62 2d33D1 LEU 209 HB2 -0.32 0.01 0.07 -0.04 1.64 1.36 2d33D1 LEU 209 HB3 -0.28 -0.02 0.15 -0.04 1.64 1.46 2d33D1 LEU 209 HG -0.31 -0.03 -0.44 -0.04 1.64 0.82 2d33D1 LEU 209 HD13 -1.29 -0.03 -0.06 -0.04 0.93 -0.49 2d33D1 LEU 209 HD23 -0.31 0.08 -0.05 -0.04 0.89 0.57 2d33D1 SER 215 HA 0.04 -0.05 0.22 -0.75 4.49 3.95 2d33D1 SER 215 HB2 0.05 -0.01 -0.03 -0.04 3.95 3.93 2d33D1 SER 215 HB3 0.05 -0.00 0.05 -0.04 3.93 3.99 2d33D1 LEU 216 H 0.12 0.09 0.11 -0.55 8.37 8.14 2d33D1 LEU 216 HA -0.05 0.15 0.60 -0.75 4.35 4.30 2d33D1 LEU 216 HB2 -0.32 -0.04 0.05 -0.04 1.64 1.30 2d33D1 LEU 216 HB3 -0.42 0.04 -0.04 -0.04 1.64 1.19 2d33D1 LEU 216 HG 0.01 -0.05 -0.04 -0.04 1.64 1.51 2d33D1 LEU 216 HD13 0.03 -0.00 -0.01 -0.04 0.93 0.90 2d33D1 LEU 216 HD23 -0.07 0.02 -0.02 -0.04 0.89 0.78 2d33D1 PRO 217 HA -0.01 0.13 0.32 -0.51 4.44 4.37 2d33D1 PRO 217 HB2 -0.06 0.01 0.25 -0.04 2.28 2.44 2d33D1 PRO 217 HB3 -0.03 0.01 0.13 -0.04 2.02 2.09 2d33D1 PRO 217 HG2 -0.11 0.01 0.08 -0.04 2.03 1.96 2d33D1 PRO 217 HG3 -0.05 0.02 0.10 -0.04 2.03 2.06 2d33D1 PRO 217 HD2 -0.16 0.06 0.13 -0.04 3.68 3.66 2d33D1 PRO 217 HD3 -0.06 0.14 0.21 -0.04 3.65 3.89 2d33D1 PHE 218 H 0.11 0.56 0.10 -0.55 8.34 8.56 2d33D1 PHE 218 HA -0.06 0.07 0.37 -0.75 4.62 4.24 2d33D1 PHE 218 HB2 0.11 0.00 0.07 -0.04 3.15 3.29 2d33D1 PHE 218 HB3 0.22 0.05 -0.03 -0.04 3.06 3.26 2d33D1 PHE 218 HD2 0.03 0.05 -0.04 -0.04 7.28 7.28 2d33D1 PHE 218 HE2 0.02 -0.02 -0.09 -0.04 7.38 7.24 2d33D1 PHE 218 HZ 0.01 -0.01 -0.08 -0.04 7.32 7.20 2d33D1 GLU 219 H -0.27 0.59 0.44 -0.55 8.60 8.82 2d33D1 GLU 219 HA -0.10 0.13 0.91 -0.75 4.29 4.47 2d33D1 GLU 219 HB2 -1.34 -0.04 0.03 -0.04 2.09 0.71 2d33D1 GLU 219 HB3 -0.26 -0.00 0.11 -0.04 1.99 1.80 2d33D1 GLU 219 HG2 -0.40 0.08 0.14 -0.04 2.34 2.11 2d33D1 GLU 219 HG3 -0.48 -0.05 0.03 -0.04 2.34 1.80 2d33D1 LYS 220 H -0.09 0.17 0.15 -0.55 8.42 8.10 2d33D1 LYS 220 HA -0.29 0.34 0.82 -0.75 4.32 4.44 2d33D1 THR 221 H -0.06 0.31 0.26 -0.55 8.28 8.24 2d33D1 THR 221 HA 0.04 0.24 0.94 -0.75 4.39 4.86 2d33D1 THR 221 HB 0.02 -0.03 0.11 -0.04 4.32 4.38 2d33D1 THR 221 HG23 0.10 0.08 -0.01 -0.04 1.22 1.35 2d33D1 GLU 222 H 0.00 0.22 0.13 -0.55 8.60 8.40 2d33D1 GLU 222 HA -0.02 0.10 0.44 -0.75 4.29 4.06 2d33D1 SER 223 H 0.00 0.09 -0.17 -0.55 8.46 7.84 2d33D1 SER 223 HA 0.01 0.07 0.35 -0.75 4.49 4.16 2d33D1 SER 223 HB2 0.01 0.08 0.04 -0.04 3.95 4.04 2d33D1 SER 223 HB3 0.00 -0.04 0.01 -0.04 3.93 3.86 2d33D1 GLY 224 H -0.05 0.48 -0.68 -0.55 8.43 7.64 2d33D1 GLY 224 HA2 -0.11 0.07 0.29 -0.51 4.01 3.75 2d33D1 GLY 224 HA3 -0.03 0.12 0.85 -0.51 4.01 4.44 2d33D1 MET 225 H -0.07 0.00 0.13 -0.55 8.47 7.99 2d33D1 MET 225 HA 0.02 0.17 1.02 -0.75 4.52 4.98 2d33D1 MET 225 HB2 0.02 -0.07 -0.07 -0.04 2.15 2.00 2d33D1 MET 225 HB3 0.04 -0.04 0.06 -0.04 2.03 2.05 2d33D1 MET 225 HG2 0.15 0.23 -0.35 -0.04 2.63 2.62 2d33D1 MET 225 HG3 0.08 -0.03 -0.06 -0.04 2.56 2.51 2d33D1 MET 225 HE3 -0.07 0.02 -0.29 -0.04 2.10 1.72 2d33D1 TYR 226 H 0.21 0.36 0.28 -0.55 8.29 8.59 2d33D1 TYR 226 HA 0.06 0.43 1.00 -0.75 4.56 5.30 2d33D1 TYR 226 HB2 -0.17 0.11 0.08 -0.04 3.06 3.03 2d33D1 TYR 226 HB3 -0.36 0.00 0.01 -0.04 2.98 2.60 2d33D1 TYR 226 HD2 -0.09 0.01 -0.08 -0.04 7.15 6.94 2d33D1 TYR 226 HE2 -0.05 -0.02 -0.05 -0.04 6.85 6.69 2d33D1 TYR 227 H 0.21 0.49 0.37 -0.55 8.29 8.81 2d33D1 TYR 227 HA 0.27 0.10 0.65 -0.75 4.56 4.82 2d33D1 TYR 227 HB2 0.07 0.20 0.01 -0.04 3.06 3.30 2d33D1 TYR 227 HB3 0.09 -0.03 -0.31 -0.04 2.98 2.69 2d33D1 TYR 227 HD2 0.01 0.07 -0.52 -0.04 7.15 6.68 2d33D1 TYR 227 HE2 -0.04 -0.01 -0.21 -0.04 6.85 6.55 2d33D1 LEU 228 H 0.20 0.48 0.27 -0.55 8.37 8.78 2d33D1 LEU 228 HA -0.15 0.22 0.95 -0.75 4.35 4.61 2d33D1 LEU 228 HB2 -0.01 -0.01 0.18 -0.04 1.64 1.76 2d33D1 LEU 228 HB3 -0.07 0.06 0.09 -0.04 1.64 1.67 2d33D1 LEU 228 HG -0.49 -0.10 -0.25 -0.04 1.64 0.76 2d33D1 LEU 228 HD13 -0.31 0.01 -0.03 -0.04 0.93 0.56 2d33D1 LEU 228 HD23 -0.41 0.03 -0.19 -0.04 0.89 0.28 2d33D1 PRO 229 HA 0.06 0.06 0.20 -0.51 4.44 4.25 2d33D1 PRO 229 HB2 -1.27 0.05 -0.06 -0.04 2.28 0.96 2d33D1 PRO 229 HB3 -0.29 0.01 0.08 -0.04 2.02 1.78 2d33D1 PRO 229 HG2 -0.32 0.04 0.10 -0.04 2.03 1.80 2d33D1 PRO 229 HG3 -0.20 0.05 0.10 -0.04 2.03 1.95 2d33D1 PRO 229 HD2 -0.13 0.12 0.21 -0.04 3.68 3.84 2d33D1 PRO 229 HD3 -0.20 0.22 0.28 -0.04 3.65 3.91 2d33D1 TYR 230 H -0.05 0.11 -0.26 -0.55 8.29 7.54 2d33D1 TYR 230 HA 0.03 0.28 0.81 -0.75 4.56 4.92 2d33D1 TYR 230 HB2 0.01 0.05 0.05 -0.04 3.06 3.13 2d33D1 TYR 230 HB3 0.02 -0.14 -0.09 -0.04 2.98 2.73 2d33D1 TYR 230 HD2 0.01 0.06 -0.13 -0.04 7.15 7.06 2d33D1 TYR 230 HE2 0.01 -0.00 -0.03 -0.04 6.85 6.79 2d33D1 ALA 231 H 0.08 0.38 -0.27 -0.55 8.40 8.05 2d33D1 ALA 231 HA 0.09 0.05 -0.07 -0.75 4.34 3.66 2d33D1 ALA 231 HB3 0.07 0.02 0.09 -0.04 1.41 1.55 2d33D1 THR 232 H 0.08 0.48 0.20 -0.55 8.28 8.49 2d33D1 THR 232 HA 0.03 0.20 0.87 -0.75 4.39 4.74 2d33D1 THR 232 HB 0.02 0.17 0.04 -0.04 4.32 4.51 2d33D1 THR 232 HG23 0.02 -0.01 -0.09 -0.04 1.22 1.09 2d33D1 SER 233 H 0.10 0.29 0.12 -0.55 8.46 8.41 2d33D1 SER 233 HA 0.08 0.02 0.95 -0.75 4.49 4.79 2d33D1 SER 233 HB2 0.11 0.00 -0.06 -0.04 3.95 3.97 2d33D1 SER 233 HB3 0.15 0.07 0.21 -0.04 3.93 4.31 2d33D1 LEU 234 H 0.07 0.68 0.09 -0.55 8.37 8.67 2d33D1 LEU 234 HA 0.09 0.03 0.53 -0.75 4.35 4.24 2d33D1 LEU 234 HB2 0.05 0.16 0.06 -0.04 1.64 1.87 2d33D1 LEU 234 HB3 0.07 -0.03 -0.03 -0.04 1.64 1.61 2d33D1 LEU 234 HG 0.10 0.08 0.02 -0.04 1.64 1.79 2d33D1 LEU 234 HD13 0.23 -0.00 -0.29 -0.04 0.93 0.82 2d33D1 LEU 234 HD23 0.10 -0.02 -0.07 -0.04 0.89 0.85 2d33D1 ARG 235 H 0.05 0.04 -0.18 -0.55 8.46 7.82 2d33D1 ARG 235 HA 0.02 0.09 0.41 -0.75 4.34 4.10 2d33D1 ARG 235 HB2 0.03 0.00 0.09 -0.04 1.90 1.98 2d33D1 ARG 235 HB3 0.07 -0.10 0.05 -0.04 1.80 1.78 2d33D1 ARG 235 HG2 0.09 0.06 -0.35 -0.04 1.67 1.43 2d33D1 ARG 235 HG3 0.07 -0.01 -0.01 -0.04 1.67 1.68 2d33D1 ARG 235 HD2 0.03 0.12 -0.01 -0.04 3.22 3.32 2d33D1 ARG 235 HD3 0.07 -0.14 -0.02 -0.04 3.22 3.09 2d33D1 LEU 236 H 0.11 0.23 -0.42 -0.55 8.37 7.74 2d33D1 LEU 236 HA 0.11 0.25 0.63 -0.75 4.35 4.59 2d33D1 LEU 236 HB2 0.19 0.03 0.04 -0.04 1.64 1.86 2d33D1 LEU 236 HB3 0.16 -0.03 0.09 -0.04 1.64 1.82 2d33D1 LEU 236 HG 0.16 -0.11 -0.04 -0.04 1.64 1.61 2d33D1 LEU 236 HD13 0.35 0.01 0.05 -0.04 0.93 1.29 2d33D1 LEU 236 HD23 0.13 0.04 -0.10 -0.04 0.89 0.91 2d33D1 SER 237 H 0.09 0.36 -0.43 -0.55 8.46 7.93 2d33D1 SER 237 HA 0.10 0.09 0.43 -0.75 4.49 4.35 2d33D1 SER 237 HB2 0.09 -0.09 0.14 -0.04 3.95 4.05 2d33D1 SER 237 HB3 0.09 -0.00 0.09 -0.04 3.93 4.07 2d33D1 ASP 238 H 0.08 0.09 0.11 -0.55 8.40 8.13 2d33D1 ASP 238 HA 0.06 0.15 0.43 -0.75 4.63 4.52 2d33D1 ASP 238 HB2 0.07 -0.05 0.07 -0.04 2.71 2.76 2d33D1 ASP 238 HB3 0.06 0.06 0.05 -0.04 2.70 2.83 2d33D1 LEU 239 H 0.09 -0.03 -0.28 -0.55 8.37 7.59 2d33D1 LEU 239 HA 0.09 0.19 0.73 -0.75 4.35 4.61 2d33D1 LEU 239 HB2 0.10 -0.04 -0.06 -0.04 1.64 1.59 2d33D1 LEU 239 HB3 0.11 0.12 0.14 -0.04 1.64 1.96 2d33D1 LEU 239 HG 0.12 -0.16 -0.06 -0.04 1.64 1.49 2d33D1 LEU 239 HD13 0.26 -0.02 -0.03 -0.04 0.93 1.10 2d33D1 LEU 239 HD23 0.08 0.05 -0.03 -0.04 0.89 0.95 2d33D1 GLY 240 H 0.06 0.30 -0.66 -0.55 8.43 7.58 2d33D1 GLY 240 HA2 0.02 0.05 0.65 -0.51 4.01 4.22 2d33D1 GLY 240 HA3 0.05 0.11 0.33 -0.51 4.01 3.99 2d33D1 TYR 241 H 0.15 0.45 0.22 -0.55 8.29 8.55 2d33D1 TYR 241 HA -0.07 0.09 0.56 -0.75 4.56 4.38 2d33D1 TYR 241 HB2 -0.05 -0.04 0.11 -0.04 3.06 3.04 2d33D1 TYR 241 HB3 -0.07 -0.03 0.18 -0.04 2.98 3.02 2d33D1 TYR 241 HD2 -0.21 0.08 -0.03 -0.04 7.15 6.96 2d33D1 TYR 241 HE2 -0.68 -0.04 -0.06 -0.04 6.85 6.03 2d33D1 THR 242 H -0.17 0.37 0.15 -0.55 8.28 8.09 2d33D1 THR 242 HA 0.02 0.14 0.82 -0.75 4.39 4.61 2d33D1 ASN 243 H 0.05 0.13 0.03 -0.55 8.53 8.19 2d33D1 ASN 243 HA 0.04 0.07 0.32 -0.75 4.76 4.43 2d33D1 ASN 243 HB2 0.04 -0.03 -0.09 -0.04 2.88 2.76 2d33D1 ASN 243 HB3 0.06 0.03 0.02 -0.04 2.79 2.86 2d33D1 ASN 243 HD21 0.05 -0.05 -0.28 -0.04 7.03 6.70 2d33D1 ASN 243 HD22 0.06 -0.02 -0.24 -0.04 7.74 7.50 2d33D1 SER 247 HA 0.05 0.00 0.31 -0.75 4.49 4.10 2d33D1 SER 247 HB2 0.05 0.07 0.04 -0.04 3.95 4.08 2d33D1 SER 247 HB3 0.04 -0.03 0.03 -0.04 3.93 3.93 2d33D1 ASN 248 H 0.02 0.24 0.10 -0.55 8.53 8.34 2d33D1 ASN 248 HA 0.01 0.06 0.73 -0.75 4.76 4.80 2d33D1 ASN 248 HB2 0.01 0.05 0.17 -0.04 2.88 3.06 2d33D1 ASN 248 HB3 0.00 0.00 0.23 -0.04 2.79 2.98 2d33D1 ASN 248 HD21 0.01 -0.02 0.02 -0.04 7.03 7.00 2d33D1 ASN 248 HD22 0.01 0.03 0.05 -0.04 7.74 7.79 2d33D1 LEU 249 H 0.01 0.22 -0.99 -0.55 8.37 7.07 2d33D1 LEU 249 HA -0.01 0.15 0.59 -0.75 4.35 4.33 2d33D1 LEU 249 HB2 0.01 0.03 0.00 -0.04 1.64 1.65 2d33D1 LEU 249 HB3 -0.02 -0.03 -0.09 -0.04 1.64 1.47 2d33D1 LEU 249 HG 0.02 0.00 -0.12 -0.04 1.64 1.50 2d33D1 LEU 249 HD13 0.03 0.03 -0.09 -0.04 0.93 0.86 2d33D1 LEU 249 HD23 0.00 0.00 0.00 -0.04 0.89 0.85 2d33D1 GLY 250 H -0.01 0.26 0.02 -0.55 8.43 8.16 2d33D1 GLY 250 HA2 -0.03 -0.05 0.25 -0.51 4.01 3.68 2d33D1 GLY 250 HA3 -0.03 0.06 0.18 -0.51 4.01 3.71 2d33D1 ILE 251 H -0.05 0.07 -0.11 -0.55 8.25 7.61 2d33D1 ILE 251 HA -0.17 0.07 0.57 -0.75 4.18 3.90 2d33D1 ILE 251 HB -0.08 0.01 0.04 -0.04 1.89 1.82 2d33D1 ILE 251 HG12 -0.09 0.04 -0.31 -0.04 1.49 1.09 2d33D1 ILE 251 HG13 -0.04 0.01 -0.10 -0.04 1.21 1.04 2d33D1 ILE 251 HG23 -0.33 0.02 -0.08 -0.04 0.93 0.50 2d33D1 ILE 251 HD13 -0.16 0.01 -0.19 -0.04 0.88 0.50 2d33D1 THR 252 H -0.25 0.15 0.21 -0.55 8.28 7.85 2d33D1 THR 252 HA -0.21 0.26 0.84 -0.75 4.39 4.53 2d33D1 THR 252 HB -0.10 0.00 0.11 -0.04 4.32 4.29 2d33D1 THR 252 HG23 -0.08 0.05 -0.17 -0.04 1.22 0.99 2d33D1 PHE 253 H 0.01 0.24 0.03 -0.55 8.34 8.08 2d33D1 PHE 253 HA -0.29 0.16 0.78 -0.75 4.62 4.51 2d33D1 PHE 253 HB2 0.04 0.04 0.08 -0.04 3.15 3.27 2d33D1 PHE 253 HB3 0.30 0.03 0.13 -0.04 3.06 3.48 2d33D1 PHE 253 HD2 0.01 -0.03 -0.10 -0.04 7.28 7.13 2d33D1 PHE 253 HE2 -0.01 0.04 -0.10 -0.04 7.38 7.27 2d33D1 PHE 253 HZ 0.22 0.07 -0.10 -0.04 7.32 7.46 2d33D1 ASN 254 H -0.26 0.05 -0.10 -0.55 8.53 7.67 2d33D1 ASN 254 HA -0.12 0.32 0.96 -0.75 4.76 5.17 2d33D1 ASN 254 HB2 -0.11 -0.04 0.07 -0.04 2.88 2.76 2d33D1 ASN 254 HB3 -0.07 0.03 0.09 -0.04 2.79 2.81 2d33D1 ASN 254 HD21 -0.03 0.44 -0.05 -0.04 7.03 7.35 2d33D1 ASN 254 HD22 -0.06 -0.03 -0.02 -0.04 7.74 7.59 2d33D1 ASP 255 H -0.45 0.13 0.05 -0.55 8.40 7.58 2d33D1 ASP 255 HA -0.17 0.25 0.84 -0.75 4.63 4.79 2d33D1 ASP 255 HB2 -0.08 0.13 -0.20 -0.04 2.71 2.52 2d33D1 ASP 255 HB3 -0.08 -0.13 0.07 -0.04 2.70 2.52 2d33D1 LEU 256 H -0.01 0.25 0.13 -0.55 8.37 8.20 2d33D1 LEU 256 HA 0.29 0.13 0.30 -0.75 4.35 4.32 2d33D1 LEU 256 HB2 0.08 0.04 0.13 -0.04 1.64 1.84 2d33D1 LEU 256 HB3 -0.40 -0.03 0.15 -0.04 1.64 1.31 2d33D1 LEU 256 HG -0.32 -0.02 -0.28 -0.04 1.64 0.98 2d33D1 LEU 256 HD13 0.07 -0.00 -0.04 -0.04 0.93 0.91 2d33D1 LEU 256 HD23 -0.29 0.06 -0.02 -0.04 0.89 0.60 2d33D1 TYR 257 H -0.03 0.09 -0.10 -0.55 8.29 7.70 2d33D1 TYR 257 HA 0.03 0.13 0.43 -0.75 4.56 4.40 2d33D1 TYR 257 HB2 -0.01 -0.03 0.04 -0.04 3.06 3.02 2d33D1 TYR 257 HB3 -0.01 0.06 0.01 -0.04 2.98 3.01 2d33D1 TYR 257 HD2 0.00 -0.02 0.03 -0.04 7.15 7.12 2d33D1 TYR 257 HE2 0.01 0.06 0.03 -0.04 6.85 6.90 2d33D1 GLU 258 H 0.06 -0.01 -0.20 -0.55 8.60 7.91 2d33D1 GLU 258 HA -0.00 0.08 0.49 -0.75 4.29 4.10 2d33D1 GLU 258 HB2 -0.04 -0.10 0.10 -0.04 2.09 2.02 2d33D1 GLU 258 HB3 -0.09 0.01 0.05 -0.04 1.99 1.92 2d33D1 GLU 258 HG2 -0.02 0.02 0.04 -0.04 2.34 2.34 2d33D1 GLU 258 HG3 -0.05 -0.00 0.01 -0.04 2.34 2.26 2d33D1 TYR 259 H -0.01 0.66 -0.12 -0.55 8.29 8.26 2d33D1 TYR 259 HA -0.19 0.02 0.48 -0.75 4.56 4.11 2d33D1 TYR 259 HB2 -0.27 0.02 0.17 -0.04 3.06 2.93 2d33D1 TYR 259 HB3 -0.00 0.09 0.17 -0.04 2.98 3.19 2d33D1 TYR 259 HD2 -0.20 0.11 -0.03 -0.04 7.15 6.99 2d33D1 TYR 259 HE2 0.06 0.01 -0.08 -0.04 6.85 6.80 2d33D1 VAL 260 H 0.11 0.58 0.02 -0.55 8.24 8.41 2d33D1 VAL 260 HA -0.21 0.02 0.43 -0.75 4.13 3.62 2d33D1 VAL 260 HB 0.04 -0.00 0.17 -0.04 2.12 2.28 2d33D1 VAL 260 HG13 -0.00 -0.02 -0.14 -0.04 0.97 0.77 2d33D1 VAL 260 HG23 0.11 0.04 0.03 -0.04 0.95 1.09 2d33D1 ALA 261 H -0.01 0.68 -0.08 -0.55 8.40 8.44 2d33D1 ALA 261 HA -0.04 -0.02 0.47 -0.75 4.34 4.00 2d33D1 ALA 261 HB3 -0.02 0.01 0.12 -0.04 1.41 1.48 2d33D1 GLY 262 H -0.12 0.57 -0.02 -0.55 8.43 8.31 2d33D1 GLY 262 HA2 -0.09 -0.00 0.35 -0.51 4.01 3.75 2d33D1 GLY 262 HA3 -0.15 0.05 0.33 -0.51 4.01 3.73 2d33D1 LEU 263 H -0.30 0.49 -0.33 -0.55 8.37 7.69 2d33D1 LEU 263 HA -0.18 0.03 0.41 -0.75 4.35 3.85 2d33D1 LEU 263 HB2 -0.58 0.11 0.14 -0.04 1.64 1.27 2d33D1 LEU 263 HB3 -0.23 0.10 0.20 -0.04 1.64 1.67 2d33D1 LEU 263 HG -0.10 -0.09 -0.09 -0.04 1.64 1.31 2d33D1 LEU 263 HD13 -0.10 0.00 0.02 -0.04 0.93 0.81 2d33D1 LEU 263 HD23 -0.21 -0.01 -0.04 -0.04 0.89 0.59 2d33D1 LYS 264 H -0.11 0.68 0.10 -0.55 8.42 8.54 2d33D1 LYS 264 HA -0.05 -0.01 0.40 -0.75 4.32 3.90 2d33D1 LYS 264 HB2 -0.05 0.08 0.15 -0.04 1.87 2.02 2d33D1 LYS 264 HB3 -0.04 -0.02 -0.00 -0.04 1.79 1.69 2d33D1 LYS 264 HG2 -0.04 -0.06 0.02 -0.04 1.46 1.34 2d33D1 LYS 264 HG3 -0.05 0.06 0.02 -0.04 1.46 1.45 2d33D1 LYS 264 HD2 -0.02 0.01 -0.03 -0.04 1.69 1.60 2d33D1 LYS 264 HD3 -0.03 0.02 -0.02 -0.04 1.68 1.61 2d33D1 LYS 264 HE2 -0.01 -0.01 -0.10 -0.04 2.99 2.83 2d33D1 LYS 264 HE3 -0.02 0.01 -0.05 -0.04 2.99 2.89 2d33D1 GLN 265 H -0.06 0.69 -0.14 -0.55 8.47 8.41 2d33D1 GLN 265 HA -0.03 -0.00 0.50 -0.75 4.36 4.08 2d33D1 ALA 266 H -0.06 0.46 -0.27 -0.55 8.40 7.99 2d33D1 ALA 266 HA -0.01 -0.00 0.39 -0.75 4.34 3.96 2d33D1 ALA 266 HB3 -0.03 0.05 0.11 -0.04 1.41 1.49 2d33D1 ILE 267 H -0.03 0.34 -0.21 -0.55 8.25 7.80 2d33D1 ILE 267 HA 0.01 0.16 0.45 -0.75 4.18 4.05 2d33D1 ILE 267 HB -0.02 0.15 0.07 -0.04 1.89 2.06 2d33D1 ILE 267 HG12 -0.03 0.21 -0.02 -0.04 1.49 1.61 2d33D1 ILE 267 HG13 -0.02 -0.12 -0.05 -0.04 1.21 0.97 2d33D1 ILE 267 HG23 0.01 0.01 -0.07 -0.04 0.93 0.83 2d33D1 ILE 267 HD13 0.00 -0.02 -0.33 -0.04 0.88 0.50 2d33D1 LYS 268 H -0.01 0.34 -0.44 -0.55 8.42 7.76 2d33D1 LYS 268 HA 0.00 0.09 0.57 -0.75 4.32 4.23 2d33D1 LYS 268 HB2 -0.01 0.07 0.07 -0.04 1.87 1.96 2d33D1 LYS 268 HB3 -0.01 -0.10 0.11 -0.04 1.79 1.75 2d33D1 LYS 268 HG2 -0.01 -0.05 -0.03 -0.04 1.46 1.33 2d33D1 LYS 268 HG3 -0.02 0.19 0.01 -0.04 1.46 1.61 2d33D1 LYS 268 HD2 -0.02 -0.01 -0.03 -0.04 1.69 1.59 2d33D1 LYS 268 HD3 -0.01 -0.06 -0.01 -0.04 1.68 1.55 2d33D1 LYS 268 HE2 -0.02 -0.03 -0.04 -0.04 2.99 2.86 2d33D1 LYS 268 HE3 -0.02 0.07 -0.08 -0.04 2.99 2.91 2d33D1 THR 269 H 0.00 0.28 -0.17 -0.55 8.28 7.85 2d33D1 THR 269 HA 0.00 0.07 0.59 -0.75 4.39 4.30 2d33D1 THR 269 HB 0.01 -0.03 0.22 -0.04 4.32 4.47 2d33D1 THR 269 HG23 -0.00 0.03 -0.05 -0.04 1.22 1.16 2d33D1 PRO 270 HA 0.03 0.11 0.36 -0.51 4.44 4.43 2d33D1 PRO 270 HB2 0.00 -0.05 -0.04 -0.04 2.28 2.15 2d33D1 PRO 270 HB3 0.01 0.01 0.05 -0.04 2.02 2.05 2d33D1 PRO 270 HG2 0.00 -0.03 0.08 -0.04 2.03 2.04 2d33D1 PRO 270 HG3 0.01 0.08 0.06 -0.04 2.03 2.13 2d33D1 PRO 270 HD2 -0.00 0.01 0.22 -0.04 3.68 3.87 2d33D1 PRO 270 HD3 0.00 0.37 0.43 -0.04 3.65 4.41 2d33D1 SER 271 H 0.03 0.51 0.27 -0.55 8.46 8.73 2d33D1 SER 271 HA -0.06 0.17 0.93 -0.75 4.49 4.77 2d33D1 SER 271 HB2 -0.02 0.13 -0.14 -0.04 3.95 3.88 2d33D1 SER 271 HB3 0.04 0.11 0.03 -0.04 3.93 4.07 2d33D1 GLU 272 H -0.08 0.21 0.14 -0.55 8.60 8.32 2d33D1 GLU 272 HA -0.03 0.11 0.52 -0.75 4.29 4.13 2d33D1 GLU 272 HB2 -0.07 -0.02 0.18 -0.04 2.09 2.14 2d33D1 GLU 272 HB3 -0.04 0.05 0.01 -0.04 1.99 1.97 2d33D1 GLU 272 HG2 -0.02 0.02 0.02 -0.04 2.34 2.31 2d33D1 GLU 272 HG3 -0.03 0.02 0.04 -0.04 2.34 2.33 2d33D1 GLU 273 H -0.18 0.10 0.02 -0.55 8.60 7.98 2d33D1 GLU 273 HA -0.08 0.10 0.39 -0.75 4.29 3.94 2d33D1 GLU 273 HB2 -0.18 -0.03 0.12 -0.04 2.09 1.96 2d33D1 GLU 273 HB3 -0.51 0.03 0.07 -0.04 1.99 1.53 2d33D1 GLU 273 HG2 -0.06 0.06 -0.08 -0.04 2.34 2.22 2d33D1 GLU 273 HG3 -0.07 -0.03 0.06 -0.04 2.34 2.27 2d33D1 TYR 274 H -0.19 0.02 -0.38 -0.55 8.29 7.20 2d33D1 TYR 274 HA -0.05 0.20 0.59 -0.75 4.56 4.55 2d33D1 TYR 274 HB2 -0.03 0.08 -0.06 -0.04 3.06 3.01 2d33D1 TYR 274 HB3 -0.04 0.06 0.00 -0.04 2.98 2.96 2d33D1 TYR 274 HD2 -0.06 0.09 -0.23 -0.04 7.15 6.92 2d33D1 TYR 274 HE2 -0.09 0.14 0.02 -0.04 6.85 6.88 2d33D1 ALA 275 H 0.04 0.42 -0.07 -0.55 8.40 8.25 2d33D1 ALA 275 HA 0.05 0.01 0.55 -0.75 4.34 4.19 2d33D1 ALA 275 HB3 0.02 0.01 0.14 -0.04 1.41 1.54 2d33D1 LYS 276 H 0.02 0.24 -0.55 -0.55 8.42 7.58 2d33D1 LYS 276 HA 0.01 -0.01 0.35 -0.75 4.32 3.92 2d33D1 LYS 276 HB2 0.01 0.35 0.11 -0.04 1.87 2.30 2d33D1 LYS 276 HB3 0.01 -0.05 0.01 -0.04 1.79 1.71 2d33D1 ILE 277 H 0.06 0.23 -0.27 -0.55 8.25 7.71 2d33D1 ILE 277 HA 0.02 -0.02 0.42 -0.75 4.18 3.85 2d33D1 ILE 277 HB 0.04 0.23 0.15 -0.04 1.89 2.28 2d33D1 ILE 277 HG12 -0.01 -0.02 0.03 -0.04 1.49 1.46 2d33D1 ILE 277 HG13 0.04 -0.06 0.05 -0.04 1.21 1.20 2d33D1 ILE 277 HG23 -0.01 0.03 -0.25 -0.04 0.93 0.66 2d33D1 ILE 277 HD13 0.03 0.01 -0.05 -0.04 0.88 0.83 2d33D1 GLY 278 H 0.03 0.24 -0.49 -0.55 8.43 7.66 2d33D1 GLY 278 HA2 0.02 -0.01 0.26 -0.51 4.01 3.76 2d33D1 GLY 278 HA3 0.01 0.14 0.65 -0.51 4.01 4.30 2d33D1 ILE 279 H 0.02 0.00 0.14 -0.55 8.25 7.86 2d33D1 ILE 279 HA 0.02 0.23 0.71 -0.75 4.18 4.39 2d33D1 ILE 279 HB 0.03 -0.05 0.08 -0.04 1.89 1.90 2d33D1 ILE 279 HG12 0.03 0.03 -0.18 -0.04 1.49 1.33 2d33D1 ILE 279 HG13 0.03 0.09 -0.28 -0.04 1.21 1.01 2d33D1 ILE 279 HG23 0.04 0.01 -0.16 -0.04 0.93 0.78 2d33D1 ILE 279 HD13 0.03 -0.03 -0.06 -0.04 0.88 0.78 2d33D1 GLU 280 H 0.02 0.07 0.19 -0.55 8.60 8.33 2d33D1 GLU 280 HA 0.02 0.33 0.70 -0.75 4.29 4.59 2d33D1 GLU 280 HB2 0.02 -0.04 0.07 -0.04 2.09 2.09 2d33D1 GLU 280 HB3 0.02 -0.16 -0.13 -0.04 1.99 1.68 2d33D1 LYS 281 H 0.01 0.70 -0.02 -0.55 8.42 8.55 2d33D1 LYS 281 HA 0.01 0.07 0.54 -0.75 4.32 4.18 2d33D1 ASP 282 H 0.01 0.15 -0.01 -0.55 8.40 7.99 2d33D1 ASP 282 HA 0.00 0.02 0.30 -0.75 4.63 4.20 2d33D1 ASP 282 HB2 -0.00 0.30 0.18 -0.04 2.71 3.15 2d33D1 ASP 282 HB3 -0.00 -0.02 0.25 -0.04 2.70 2.89 2d33D1 GLY 283 H 0.01 0.04 -0.22 -0.55 8.43 7.71 2d33D1 GLY 283 HA2 0.01 -0.02 0.26 -0.51 4.01 3.75 2d33D1 GLY 283 HA3 0.00 0.15 0.51 -0.51 4.01 4.16 2d33D1 LYS 284 H -0.00 0.31 -0.59 -0.55 8.42 7.58 2d33D1 LYS 284 HA -0.01 0.02 0.60 -0.75 4.32 4.17 2d33D1 LYS 284 HB2 -0.01 -0.03 0.06 -0.04 1.87 1.85 2d33D1 LYS 284 HB3 -0.01 0.08 0.08 -0.04 1.79 1.91 2d33D1 LYS 284 HG2 -0.01 -0.02 -0.18 -0.04 1.46 1.21 2d33D1 LYS 284 HG3 -0.01 0.23 -0.28 -0.04 1.46 1.37 2d33D1 ARG 285 H 0.01 0.11 0.19 -0.55 8.46 8.21 2d33D1 ARG 285 HA 0.03 0.14 0.73 -0.75 4.34 4.49 2d33D1 ARG 285 HB2 0.06 -0.05 0.16 -0.04 1.90 2.03 2d33D1 ARG 285 HB3 0.07 -0.01 0.03 -0.04 1.80 1.85 2d33D1 ARG 285 HG2 0.07 0.27 0.07 -0.04 1.67 2.04 2d33D1 ARG 285 HG3 0.07 -0.06 0.02 -0.04 1.67 1.66 2d33D1 ARG 285 HD2 0.19 -0.08 0.01 -0.04 3.22 3.30 2d33D1 ARG 285 HD3 0.21 0.04 -0.01 -0.04 3.22 3.41 2d33D1 LEU 286 H 0.02 0.69 0.22 -0.55 8.37 8.75 2d33D1 LEU 286 HA -0.01 0.11 0.49 -0.75 4.35 4.19 2d33D1 LEU 286 HB2 -0.00 0.05 -0.33 -0.04 1.64 1.32 2d33D1 LEU 286 HB3 -0.01 0.02 -0.13 -0.04 1.64 1.48 2d33D1 LEU 286 HG 0.00 -0.01 -0.31 -0.04 1.64 1.29 2d33D1 LEU 286 HD13 0.00 -0.02 -0.27 -0.04 0.93 0.60 2d33D1 LEU 286 HD23 -0.01 -0.00 -0.14 -0.04 0.89 0.70 2d33D1 GLN 287 H 0.01 0.22 0.12 -0.55 8.47 8.27 2d33D1 GLN 287 HA -0.02 0.13 0.40 -0.75 4.36 4.12 2d33D1 GLN 287 HB2 -0.01 0.01 0.02 -0.04 2.15 2.12 2d33D1 GLN 287 HB3 -0.06 -0.05 0.23 -0.04 2.02 2.09 2d33D1 GLN 287 HG2 -0.07 0.14 -0.29 -0.04 2.40 2.14 2d33D1 GLN 287 HG3 -0.02 -0.09 -0.31 -0.04 2.39 1.94 2d33D1 GLN 287 HE21 0.04 -0.10 -0.10 -0.04 6.97 6.77 2d33D1 GLN 287 HE22 0.01 0.18 -0.01 -0.04 7.69 7.83 2d33D1 ILE 288 H 0.02 0.14 0.11 -0.55 8.25 7.97 2d33D1 ILE 288 HA 0.06 0.07 0.58 -0.75 4.18 4.13 2d33D1 ILE 288 HB 0.05 -0.03 0.10 -0.04 1.89 1.97 2d33D1 ILE 288 HG12 -0.11 0.00 -0.08 -0.04 1.49 1.26 2d33D1 ILE 288 HG13 -0.01 -0.01 -0.09 -0.04 1.21 1.07 2d33D1 ILE 288 HG23 0.10 0.01 -0.12 -0.04 0.93 0.89 2d33D1 ILE 288 HD13 -0.37 0.01 -0.05 -0.04 0.88 0.43 2d33D1 ASN 289 H 0.02 0.23 0.05 -0.55 8.53 8.29 2d33D1 ASN 289 HA 0.03 0.10 0.38 -0.75 4.76 4.52 2d33D1 ASN 289 HB2 0.03 -0.10 0.15 -0.04 2.88 2.92 2d33D1 ASN 289 HB3 0.04 0.17 -0.08 -0.04 2.79 2.88 2d33D1 ASN 289 HD21 0.04 0.28 0.14 -0.04 7.03 7.45 2d33D1 ASN 289 HD22 0.04 -0.03 -0.01 -0.04 7.74 7.70 2d33D1 SER 290 H 0.04 0.14 0.03 -0.55 8.46 8.13 2d33D1 SER 290 HA 0.07 0.33 0.86 -0.75 4.49 5.01 2d33D1 SER 290 HB2 0.08 -0.09 0.01 -0.04 3.95 3.91 2d33D1 SER 290 HB3 0.05 0.14 -0.17 -0.04 3.93 3.91 2d33D1 ASN 291 H 0.06 0.04 -0.32 -0.55 8.53 7.76 2d33D1 ASN 291 HA 0.07 0.10 0.56 -0.75 4.76 4.73 2d33D1 ASN 291 HB2 0.05 0.16 -0.08 -0.04 2.88 2.97 2d33D1 ASN 291 HB3 0.04 0.06 -0.25 -0.04 2.79 2.60 2d33D1 ASN 291 HD21 0.02 -0.13 -0.01 -0.04 7.03 6.87 2d33D1 ASN 291 HD22 0.03 0.20 0.06 -0.04 7.74 7.99 2d33D1 VAL 292 H 0.07 0.58 0.15 -0.55 8.24 8.49 2d33D1 VAL 292 HA 0.24 -0.04 0.24 -0.75 4.13 3.81 2d33D1 VAL 292 HB 0.05 0.05 0.09 -0.04 2.12 2.27 2d33D1 VAL 292 HG13 0.09 -0.02 -0.06 -0.04 0.97 0.94 2d33D1 VAL 292 HG23 0.02 0.02 0.01 -0.04 0.95 0.96 2d33D1 LEU 293 H 0.06 0.36 -0.23 -0.55 8.37 8.01 2d33D1 LEU 293 HA 0.07 0.18 0.82 -0.75 4.35 4.67 2d33D1 LEU 293 HB2 0.03 -0.02 -0.26 -0.04 1.64 1.34 2d33D1 LEU 293 HB3 0.03 0.07 -0.18 -0.04 1.64 1.52 2d33D1 LEU 293 HG 0.03 -0.03 -0.34 -0.04 1.64 1.26 2d33D1 LEU 293 HD13 -0.00 -0.02 -0.14 -0.04 0.93 0.73 2d33D1 LEU 293 HD23 0.03 0.06 -0.26 -0.04 0.89 0.67 2d33D1 GLN 294 H 0.09 0.17 0.02 -0.55 8.47 8.20 2d33D1 GLN 294 HA 0.06 0.05 0.44 -0.75 4.36 4.15 2d33D1 GLN 294 HB2 0.24 -0.03 0.11 -0.04 2.15 2.42 2d33D1 GLN 294 HB3 0.12 -0.05 -0.01 -0.04 2.02 2.04 2d33D1 GLN 294 HG2 0.02 -0.12 0.07 -0.04 2.40 2.33 2d33D1 GLN 294 HG3 0.00 0.15 -0.00 -0.04 2.39 2.50 2d33D1 GLN 294 HE21 -0.10 0.14 0.06 -0.04 6.97 7.02 2d33D1 GLN 294 HE22 0.11 0.03 0.01 -0.04 7.69 7.80 2d33D1 ILE 295 H 0.07 0.18 0.01 -0.55 8.25 7.96 2d33D1 ILE 295 HA 0.03 0.24 0.48 -0.75 4.18 4.17 2d33D1 ILE 295 HB -0.01 -0.15 0.12 -0.04 1.89 1.81 2d33D1 ILE 295 HG12 -0.30 -0.02 -0.11 -0.04 1.49 1.03 2d33D1 ILE 295 HG13 -0.24 -0.19 -0.28 -0.04 1.21 0.47 2d33D1 ILE 295 HG23 0.17 0.04 -0.12 -0.04 0.93 0.97 2d33D1 ILE 295 HD13 -0.73 0.04 -0.07 -0.04 0.88 0.08 2d33D1 GLU 296 H -0.00 0.16 0.11 -0.55 8.60 8.32 2d33D1 GLU 296 HA 0.01 0.15 0.24 -0.75 4.29 3.93 2d33D1 GLU 296 HB2 0.01 -0.01 0.09 -0.04 2.09 2.14 2d33D1 GLU 296 HB3 0.02 0.08 0.04 -0.04 1.99 2.08 2d33D1 GLU 296 HG2 -0.03 0.08 -0.04 -0.04 2.34 2.31 2d33D1 GLU 296 HG3 -0.01 -0.03 0.05 -0.04 2.34 2.30 2d33D1 ASN 297 H -0.02 0.05 -0.22 -0.55 8.53 7.81 2d33D1 ASN 297 HA 0.11 0.09 0.20 -0.75 4.76 4.41 2d33D1 ASN 297 HB2 0.07 0.01 -0.17 -0.04 2.88 2.75 2d33D1 ASN 297 HB3 0.22 0.08 -0.02 -0.04 2.79 3.03 2d33D1 ASN 297 HD21 0.05 -0.00 -0.05 -0.04 7.03 6.99 2d33D1 ASN 297 HD22 0.14 0.07 -0.07 -0.04 7.74 7.84 2d33D1 GLU 298 H 0.05 0.28 -0.77 -0.55 8.60 7.61 2d33D1 GLU 298 HA -0.09 0.12 0.15 -0.75 4.29 3.71 2d33D1 GLU 298 HB2 0.26 -0.15 0.03 -0.04 2.09 2.19 2d33D1 GLU 298 HB3 0.05 0.06 0.07 -0.04 1.99 2.12 2d33D1 GLU 298 HG2 -0.07 0.07 0.04 -0.04 2.34 2.35 2d33D1 GLU 298 HG3 -0.03 0.03 0.07 -0.04 2.34 2.37 2d33D1 LEU 299 H 0.00 0.35 -0.31 -0.55 8.37 7.86 2d33D1 LEU 299 HA -0.06 0.05 0.51 -0.75 4.35 4.10 2d33D1 LEU 299 HB2 0.02 -0.07 0.05 -0.04 1.64 1.60 2d33D1 LEU 299 HB3 0.08 0.05 0.13 -0.04 1.64 1.86 2d33D1 LEU 299 HG 0.14 0.08 -0.30 -0.04 1.64 1.52 2d33D1 LEU 299 HD13 0.05 -0.01 -0.04 -0.04 0.93 0.89 2d33D1 LEU 299 HD23 0.11 -0.04 -0.05 -0.04 0.89 0.88 2d33D1 TYR 300 H -0.14 0.17 0.19 -0.55 8.29 7.96 2d33D1 TYR 300 HA 0.11 0.11 0.35 -0.75 4.56 4.37 2d33D1 TYR 300 HB2 -0.03 -0.12 -0.02 -0.04 3.06 2.85 2d33D1 TYR 300 HB3 0.09 0.05 -0.07 -0.04 2.98 3.01 2d33D1 TYR 300 HD2 -0.10 -0.00 -0.23 -0.04 7.15 6.77 2d33D1 TYR 300 HE2 -0.19 -0.01 -0.09 -0.04 6.85 6.53 2d33D1 ALA 301 H 0.20 0.35 0.16 -0.55 8.40 8.56 2d33D1 ALA 301 HA 0.11 0.08 0.63 -0.75 4.34 4.41 2d33D1 ALA 301 HB3 0.20 0.02 -0.09 -0.04 1.41 1.49 2d33D1 PRO 302 HA -0.03 0.11 0.54 -0.51 4.44 4.55 2d33D1 PRO 302 HB2 0.11 -0.02 -0.04 -0.04 2.28 2.29 2d33D1 PRO 302 HB3 -0.47 0.05 0.08 -0.04 2.02 1.63 2d33D1 PRO 302 HG2 -0.75 0.02 0.03 -0.04 2.03 1.30 2d33D1 PRO 302 HG3 -0.89 0.05 0.04 -0.04 2.03 1.20 2d33D1 PRO 302 HD2 -0.03 0.13 0.24 -0.04 3.68 3.98 2d33D1 PRO 302 HD3 -0.18 0.16 0.12 -0.04 3.65 3.70 2d33D1 ILE 303 H -0.10 0.31 -0.14 -0.55 8.25 7.77 2d33D1 ILE 303 HA -0.21 0.28 0.86 -0.75 4.18 4.36 2d33D1 ILE 303 HB -0.96 -0.00 -0.18 -0.04 1.89 0.71 2d33D1 ILE 303 HG12 -0.22 -0.04 -0.13 -0.04 1.49 1.06 2d33D1 ILE 303 HG13 -0.34 0.10 -0.05 -0.04 1.21 0.88 2d33D1 ILE 303 HG23 -0.19 -0.01 -0.15 -0.04 0.93 0.54 2d33D1 ILE 303 HD13 -0.40 -0.02 -0.14 -0.04 0.88 0.28 2d33D1 ARG 304 H -0.13 0.31 0.22 -0.55 8.46 8.31 2d33D1 ARG 304 HA 0.03 0.15 0.80 -0.75 4.34 4.57 2d33D1 ARG 304 HB2 0.02 0.06 -0.44 -0.04 1.90 1.49 2d33D1 ARG 304 HB3 -0.04 -0.08 -0.03 -0.04 1.80 1.61 2d33D1 ARG 304 HG2 0.03 0.11 -0.12 -0.04 1.67 1.65 2d33D1 ARG 304 HG3 0.13 0.03 -0.00 -0.04 1.67 1.79 2d33D1 ARG 304 HD2 0.04 -0.05 -0.14 -0.04 3.22 3.03 2d33D1 ARG 304 HD3 0.07 -0.07 -0.12 -0.04 3.22 3.05 2d33D1 PRO 305 HA -0.31 0.14 0.76 -0.51 4.44 4.52 2d33D1 PRO 305 HB2 -0.33 -0.01 -0.09 -0.04 2.28 1.81 2d33D1 PRO 305 HB3 -0.45 0.02 0.03 -0.04 2.02 1.58 2d33D1 PRO 305 HG2 -0.12 0.01 0.04 -0.04 2.03 1.93 2d33D1 PRO 305 HG3 -0.49 0.01 0.01 -0.04 2.03 1.53 2d33D1 PRO 305 HD2 0.11 0.15 0.22 -0.04 3.68 4.12 2d33D1 PRO 305 HD3 -0.00 0.14 0.08 -0.04 3.65 3.83 2d33D1 LYS 306 H -0.45 0.42 0.34 -0.55 8.42 8.17 2d33D1 LYS 306 HA -0.24 0.15 0.86 -0.75 4.32 4.34 2d33D1 LYS 306 HB2 -1.29 0.04 -0.23 -0.04 1.87 0.36 2d33D1 LYS 306 HB3 -0.67 -0.03 -0.18 -0.04 1.79 0.87 2d33D1 LYS 306 HG2 -0.17 0.16 -0.30 -0.04 1.46 1.11 2d33D1 LYS 306 HG3 -0.28 0.04 -0.77 -0.04 1.46 0.40 2d33D1 LYS 306 HD2 -0.04 0.03 -0.22 -0.04 1.69 1.41 2d33D1 LYS 306 HD3 -0.17 -0.04 -0.26 -0.04 1.68 1.16 2d33D1 LYS 306 HE2 0.08 -0.02 -0.17 -0.04 2.99 2.85 2d33D1 LYS 306 HE3 -0.07 -0.02 -0.12 -0.04 2.99 2.74 2d33D1 ARG 307 H -0.14 0.32 0.09 -0.55 8.46 8.17 2d33D1 ARG 307 HA -0.03 0.03 0.46 -0.75 4.34 4.05 2d33D1 ARG 307 HB2 -0.08 0.19 -0.01 -0.04 1.90 1.96 2d33D1 ARG 307 HB3 -0.05 -0.10 -0.22 -0.04 1.80 1.39 2d33D1 ARG 307 HG2 -0.00 0.14 -0.25 -0.04 1.67 1.51 2d33D1 ARG 307 HG3 0.01 -0.11 0.02 -0.04 1.67 1.55 2d33D1 ARG 307 HD2 -0.03 0.19 -0.08 -0.04 3.22 3.27 2d33D1 ARG 307 HD3 -0.01 -0.07 -0.03 -0.04 3.22 3.06 2d33D1 VAL 308 H 0.13 0.11 0.01 -0.55 8.24 7.95 2d33D1 VAL 308 HA 0.10 0.04 0.40 -0.75 4.13 3.92 2d33D1 VAL 308 HB 0.05 -0.02 0.02 -0.04 2.12 2.13 2d33D1 VAL 308 HG13 0.04 0.04 -0.10 -0.04 0.97 0.91 2d33D1 VAL 308 HG23 0.12 -0.00 -0.03 -0.04 0.95 0.99 2d33D1 THR 309 H 0.03 0.11 0.15 -0.55 8.28 8.02 2d33D1 THR 309 HA -0.01 0.09 0.60 -0.75 4.39 4.31 2d33D1 THR 309 HB -0.03 0.02 -0.14 -0.04 4.32 4.12 2d33D1 THR 309 HG23 -0.01 -0.01 -0.18 -0.04 1.22 0.98 2d33D1 ARG 310 H -0.02 0.06 0.06 -0.55 8.46 8.02 2d33D1 ARG 310 HA -0.01 0.15 0.59 -0.75 4.34 4.32 2d33D1 ARG 310 HB2 -0.03 -0.00 0.08 -0.04 1.90 1.91 2d33D1 ARG 310 HB3 -0.02 -0.08 0.18 -0.04 1.80 1.83 2d33D1 ARG 310 HG2 -0.01 -0.01 0.04 -0.04 1.67 1.65 2d33D1 ARG 310 HG3 -0.01 0.04 -0.05 -0.04 1.67 1.61 2d33D1 ARG 310 HD2 -0.01 -0.00 0.00 -0.04 3.22 3.17 2d33D1 ARG 310 HD3 -0.01 -0.00 0.01 -0.04 3.22 3.17 2d33D1 SER 311 H -0.02 0.11 0.11 -0.55 8.46 8.11 2d33D1 SER 311 HA -0.01 0.09 0.53 -0.75 4.49 4.34 2d33D1 SER 311 HB2 -0.00 0.00 0.13 -0.04 3.95 4.04 2d33D1 SER 311 HB3 -0.01 -0.00 0.12 -0.04 3.93 4.00 2d33D1 GLY 312 H -0.04 0.16 0.16 -0.55 8.43 8.15 2d33D1 GLY 312 HA2 -0.20 0.02 0.29 -0.51 4.01 3.62 2d33D1 GLY 312 HA3 -0.14 0.03 0.30 -0.51 4.01 3.69 2d33D1 GLU 313 H -0.10 0.14 -0.92 -0.55 8.60 7.18 2d33D1 GLU 313 HA -0.13 0.07 0.50 -0.75 4.29 3.98 2d33D1 GLU 313 HB2 -0.06 0.01 -0.16 -0.04 2.09 1.83 2d33D1 GLU 313 HB3 -0.06 -0.04 -0.12 -0.04 1.99 1.73 2d33D1 GLU 313 HG2 -0.06 -0.00 -0.06 -0.04 2.34 2.18 2d33D1 GLU 313 HG3 -0.06 0.04 -0.04 -0.04 2.34 2.24 2d33D1 SER 314 H -0.12 0.07 0.17 -0.55 8.46 8.04 2d33D1 SER 314 HA -0.11 0.31 0.88 -0.75 4.49 4.82 2d33D1 SER 314 HB2 -0.08 0.01 0.16 -0.04 3.95 4.01 2d33D1 SER 314 HB3 -0.15 0.29 0.10 -0.04 3.93 4.12 2d33D1 PRO 315 HA -0.02 0.14 0.37 -0.51 4.44 4.42 2d33D1 PRO 315 HB2 0.01 -0.01 0.02 -0.04 2.28 2.26 2d33D1 PRO 315 HB3 0.01 0.12 0.05 -0.04 2.02 2.15 2d33D1 PRO 315 HG2 0.01 -0.01 0.06 -0.04 2.03 2.06 2d33D1 PRO 315 HG3 0.01 0.13 0.06 -0.04 2.03 2.19 2d33D1 PRO 315 HD2 -0.03 0.06 0.23 -0.04 3.68 3.90 2d33D1 PRO 315 HD3 -0.04 0.28 0.21 -0.04 3.65 4.06 2d33D1 SER 316 H -0.02 0.13 -0.21 -0.55 8.46 7.82 2d33D1 SER 316 HA 0.03 0.13 0.47 -0.75 4.49 4.36 2d33D1 SER 316 HB2 -0.02 0.03 -0.00 -0.04 3.95 3.92 2d33D1 SER 316 HB3 -0.02 0.07 0.05 -0.04 3.93 3.98 2d33D1 ASP 317 H -0.04 0.07 -0.22 -0.55 8.40 7.67 2d33D1 ASP 317 HA -0.02 0.05 0.40 -0.75 4.63 4.31 2d33D1 ASP 317 HB2 -0.06 0.08 0.21 -0.04 2.71 2.90 2d33D1 ASP 317 HB3 -0.04 0.03 0.01 -0.04 2.70 2.66 2d33D1 ALA 318 H -0.03 0.70 -0.16 -0.55 8.40 8.36 2d33D1 ALA 318 HA -0.02 -0.01 0.35 -0.75 4.34 3.91 2d33D1 ALA 318 HB3 -0.02 0.04 -0.08 -0.04 1.41 1.30 2d33D1 LEU 319 H -0.01 0.41 -0.31 -0.55 8.37 7.91 2d33D1 LEU 319 HA -0.05 0.17 0.18 -0.75 4.35 3.90 2d33D1 LEU 319 HB2 0.03 0.06 0.11 -0.04 1.64 1.80 2d33D1 LEU 319 HB3 -0.00 -0.11 -0.16 -0.04 1.64 1.33 2d33D1 LEU 319 HG -0.02 0.17 -0.05 -0.04 1.64 1.69 2d33D1 LEU 319 HD13 0.12 0.00 -0.15 -0.04 0.93 0.85 2d33D1 LEU 319 HD23 -0.12 0.00 -0.39 -0.04 0.89 0.34 2d33D1 LEU 320 H -0.01 0.66 -0.11 -0.55 8.37 8.37 2d33D1 LEU 320 HA -0.03 -0.07 0.38 -0.75 4.35 3.87 2d33D1 LEU 320 HB2 0.01 0.22 0.18 -0.04 1.64 2.01 2d33D1 LEU 320 HB3 0.02 0.05 0.00 -0.04 1.64 1.68 2d33D1 LEU 320 HG 0.11 -0.01 -0.01 -0.04 1.64 1.69 2d33D1 LEU 320 HD13 0.10 -0.02 -0.01 -0.04 0.93 0.96 2d33D1 LEU 320 HD23 0.04 -0.01 -0.06 -0.04 0.89 0.82 2d33D1 ARG 321 H -0.01 0.56 -0.24 -0.55 8.46 8.22 2d33D1 ARG 321 HA 0.01 -0.00 0.48 -0.75 4.34 4.08 2d33D1 ARG 321 HB2 -0.01 -0.08 0.06 -0.04 1.90 1.83 2d33D1 ARG 321 HB3 -0.01 0.08 0.15 -0.04 1.80 1.98 2d33D1 ARG 321 HG2 -0.00 0.08 -0.37 -0.04 1.67 1.33 2d33D1 ARG 321 HG3 -0.00 -0.06 -0.05 -0.04 1.67 1.53 2d33D1 ARG 321 HD2 -0.01 -0.03 -0.05 -0.04 3.22 3.09 2d33D1 ARG 321 HD3 -0.01 -0.05 -0.03 -0.04 3.22 3.10 2d33D1 GLY 322 H -0.02 0.56 -0.02 -0.55 8.43 8.40 2d33D1 GLY 322 HA2 -0.01 0.11 0.70 -0.51 4.01 4.31 2d33D1 GLY 322 HA3 -0.01 -0.04 0.24 -0.51 4.01 3.68 2d33D1 GLY 323 H -0.05 0.57 -0.03 -0.55 8.43 8.38 2d33D1 GLY 323 HA2 -0.09 -0.05 0.34 -0.51 4.01 3.70 2d33D1 GLY 323 HA3 -0.07 0.07 0.55 -0.51 4.01 4.05 2d33D1 ILE 324 H -0.13 -0.02 0.11 -0.55 8.25 7.66 2d33D1 ILE 324 HA -0.20 0.04 0.40 -0.75 4.18 3.66 2d33D1 ILE 324 HB -0.13 -0.03 0.07 -0.04 1.89 1.76 2d33D1 ILE 324 HG12 -0.39 -0.00 -0.05 -0.04 1.49 1.01 2d33D1 ILE 324 HG13 -0.30 -0.09 0.02 -0.04 1.21 0.79 2d33D1 ILE 324 HG23 -0.51 -0.03 -0.16 -0.04 0.93 0.18 2d33D1 ILE 324 HD13 -0.96 0.01 -0.03 -0.04 0.88 -0.14 2d33D1 GLU 325 H -0.19 0.72 0.46 -0.55 8.60 9.04 2d33D1 GLU 325 HA 0.01 0.16 0.89 -0.75 4.29 4.60 2d33D1 GLU 325 HB2 0.01 0.05 0.09 -0.04 2.09 2.20 2d33D1 GLU 325 HB3 0.05 -0.05 0.21 -0.04 1.99 2.17 2d33D1 GLU 325 HG2 0.15 0.01 -0.22 -0.04 2.34 2.24 2d33D1 GLU 325 HG3 0.07 0.02 0.03 -0.04 2.34 2.41 2d33D1 TYR 326 H -0.41 0.42 0.28 -0.55 8.29 8.03 2d33D1 TYR 326 HA -0.49 0.16 0.60 -0.75 4.56 4.07 2d33D1 TYR 326 HB2 -0.15 0.19 -0.02 -0.04 3.06 3.04 2d33D1 TYR 326 HB3 -0.14 0.03 -0.24 -0.04 2.98 2.59 2d33D1 TYR 326 HD2 -0.09 0.08 -0.28 -0.04 7.15 6.82 2d33D1 TYR 326 HE2 -0.03 -0.03 -0.28 -0.04 6.85 6.47 2d33D1 ILE 327 H 0.03 0.60 0.37 -0.55 8.25 8.70 2d33D1 ILE 327 HA -0.28 0.26 1.14 -0.75 4.18 4.55 2d33D1 ILE 327 HB -0.11 -0.00 0.01 -0.04 1.89 1.75 2d33D1 ILE 327 HG12 0.14 0.01 -0.06 -0.04 1.49 1.54 2d33D1 ILE 327 HG13 0.21 0.07 0.12 -0.04 1.21 1.56 2d33D1 ILE 327 HG23 -0.24 -0.01 -0.12 -0.04 0.93 0.52 2d33D1 ILE 327 HD13 0.06 -0.02 -0.22 -0.04 0.88 0.66 2d33D1 GLU 328 H -0.11 0.59 0.29 -0.55 8.60 8.82 2d33D1 GLU 328 HA 0.09 0.19 0.92 -0.75 4.29 4.74 2d33D1 GLU 328 HB2 0.07 -0.03 -0.15 -0.04 2.09 1.94 2d33D1 GLU 328 HB3 -0.05 0.02 0.09 -0.04 1.99 2.00 2d33D1 GLU 328 HG2 -0.08 0.02 -0.52 -0.04 2.34 1.72 2d33D1 GLU 328 HG3 0.11 -0.01 -0.22 -0.04 2.34 2.18 2d33D1 VAL 329 H 0.10 0.84 0.35 -0.55 8.24 8.97 2d33D1 VAL 329 HA -0.18 0.16 0.98 -0.75 4.13 4.34 2d33D1 VAL 329 HB 0.30 0.01 0.27 -0.04 2.12 2.66 2d33D1 VAL 329 HG13 0.19 -0.02 -0.03 -0.04 0.97 1.07 2d33D1 VAL 329 HG23 -0.04 0.00 -0.05 -0.04 0.95 0.82 2d33D1 ARG 330 H -0.04 0.80 0.33 -0.55 8.46 8.99 2d33D1 ARG 330 HA -0.13 0.15 0.72 -0.75 4.34 4.32 2d33D1 ARG 330 HB2 -0.08 0.11 0.02 -0.04 1.90 1.92 2d33D1 ARG 330 HB3 -0.28 0.00 0.05 -0.04 1.80 1.52 2d33D1 ARG 330 HG2 -0.63 -0.05 -0.28 -0.04 1.67 0.67 2d33D1 ARG 330 HG3 -0.19 -0.07 -0.44 -0.04 1.67 0.93 2d33D1 ARG 330 HD2 -0.07 -0.09 -0.22 -0.04 3.22 2.80 2d33D1 ARG 330 HD3 -0.04 0.15 -0.28 -0.04 3.22 3.00 2d33D1 SER 331 H 0.20 0.04 0.01 -0.55 8.46 8.16 2d33D1 SER 331 HA 0.18 0.17 0.31 -0.75 4.49 4.41 2d33D1 SER 331 HB2 0.40 -0.04 0.03 -0.04 3.95 4.30 2d33D1 SER 331 HB3 0.43 -0.03 0.09 -0.04 3.93 4.38 2d33D1 LEU 332 H 0.19 0.21 -0.24 -0.55 8.37 7.99 2d33D1 LEU 332 HA 0.17 -0.04 0.34 -0.75 4.35 4.07 2d33D1 LEU 332 HB2 0.17 0.28 0.15 -0.04 1.64 2.19 2d33D1 LEU 332 HB3 0.11 0.16 -0.04 -0.04 1.64 1.84 2d33D1 LEU 332 HG 0.16 -0.09 -0.07 -0.04 1.64 1.60 2d33D1 LEU 332 HD13 0.06 -0.01 -0.10 -0.04 0.93 0.83 2d33D1 LEU 332 HD23 0.08 -0.01 -0.06 -0.04 0.89 0.86 2d33D1 ASP 333 H 0.15 0.06 0.14 -0.55 8.40 8.20 2d33D1 ASP 333 HA 0.08 0.14 0.71 -0.75 4.63 4.81 2d33D1 ASP 333 HB2 0.13 0.12 0.13 -0.04 2.71 3.05 2d33D1 ASP 333 HB3 0.07 0.13 0.12 -0.04 2.70 2.97 2d33D1 ILE 334 H 0.04 0.11 0.13 -0.55 8.25 7.98 2d33D1 ILE 334 HA 0.04 0.15 0.51 -0.75 4.18 4.12 2d33D1 ILE 334 HB -0.03 -0.20 -0.11 -0.04 1.89 1.51 2d33D1 ILE 334 HG12 0.05 0.00 -0.25 -0.04 1.49 1.24 2d33D1 ILE 334 HG13 0.06 0.14 -0.33 -0.04 1.21 1.04 2d33D1 ILE 334 HG23 -0.04 -0.01 -0.39 -0.04 0.93 0.45 2d33D1 ILE 334 HD13 0.06 -0.01 -0.20 -0.04 0.88 0.70 2d33D1 ASN 335 H -0.00 0.53 0.16 -0.55 8.53 8.66 2d33D1 ASN 335 HA -0.07 0.14 0.55 -0.75 4.76 4.63 2d33D1 ASN 335 HB2 0.10 0.06 -0.05 -0.04 2.88 2.95 2d33D1 ASN 335 HB3 -0.05 -0.15 -0.36 -0.04 2.79 2.19 2d33D1 ASN 335 HD21 0.03 0.01 -0.16 -0.04 7.03 6.87 2d33D1 ASN 335 HD22 0.06 -0.15 -0.15 -0.04 7.74 7.46 2d33D1 PRO 336 HA -0.42 0.34 0.25 -0.51 4.44 4.10 2d33D1 PRO 336 HB2 -1.42 -0.03 -0.05 -0.04 2.28 0.74 2d33D1 PRO 336 HB3 -0.77 0.03 0.09 -0.04 2.02 1.33 2d33D1 PRO 336 HG2 -1.05 -0.01 0.11 -0.04 2.03 1.04 2d33D1 PRO 336 HG3 -0.45 0.11 0.19 -0.04 2.03 1.83 2d33D1 PRO 336 HD2 -0.72 -0.04 0.19 -0.04 3.68 3.08 2d33D1 PRO 336 HD3 -0.24 0.38 0.42 -0.04 3.65 4.16 2d33D1 PHE 337 H -0.51 0.01 -0.51 -0.55 8.34 6.78 2d33D1 PHE 337 HA 0.21 0.20 0.56 -0.75 4.62 4.83 2d33D1 PHE 337 HB2 -0.27 -0.06 -0.06 -0.04 3.15 2.72 2d33D1 PHE 337 HB3 -0.04 -0.01 0.08 -0.04 3.06 3.05 2d33D1 PHE 337 HD2 -0.39 -0.00 -0.05 -0.04 7.28 6.80 2d33D1 PHE 337 HE2 -0.12 0.03 -0.01 -0.04 7.38 7.24 2d33D1 PHE 337 HZ -0.09 -0.03 -0.19 -0.04 7.32 6.97 2d33D1 SER 338 H -0.10 0.53 -0.28 -0.55 8.46 8.06 2d33D1 SER 338 HA -0.13 0.23 0.87 -0.75 4.49 4.70 2d33D1 SER 338 HB2 -0.07 -0.01 -0.12 -0.04 3.95 3.71 2d33D1 SER 338 HB3 -0.10 -0.00 -0.07 -0.04 3.93 3.72 2d33D1 PRO 339 HA -1.28 0.19 0.48 -0.51 4.44 3.32 2d33D1 PRO 339 HB2 -0.31 0.05 -0.06 -0.04 2.28 1.92 2d33D1 PRO 339 HB3 -0.53 0.06 0.10 -0.04 2.02 1.60 2d33D1 PRO 339 HG2 -0.24 -0.00 0.05 -0.04 2.03 1.79 2d33D1 PRO 339 HG3 -0.24 0.06 0.05 -0.04 2.03 1.85 2d33D1 PRO 339 HD2 -0.24 0.02 0.22 -0.04 3.68 3.64 2d33D1 PRO 339 HD3 -0.35 0.22 0.08 -0.04 3.65 3.56 2d33D1 ILE 340 H -0.31 -0.02 -0.34 -0.55 8.25 7.03 2d33D1 ILE 340 HA -0.75 0.33 0.83 -0.75 4.18 3.83 2d33D1 ILE 340 HB -0.60 0.03 0.01 -0.04 1.89 1.29 2d33D1 ILE 340 HG12 -0.22 -0.09 -0.01 -0.04 1.49 1.14 2d33D1 ILE 340 HG13 -0.17 -0.01 -0.18 -0.04 1.21 0.80 2d33D1 ILE 340 HG23 -0.56 -0.01 -0.19 -0.04 0.93 0.13 2d33D1 ILE 340 HD13 -0.12 -0.02 -0.05 -0.04 0.88 0.66 2d33D1 GLY 341 H -0.18 0.26 -0.46 -0.55 8.43 7.50 2d33D1 GLY 341 HA2 -0.07 0.34 0.31 -0.51 4.01 4.08 2d33D1 GLY 341 HA3 0.00 0.12 0.21 -0.51 4.01 3.84 2d33D1 VAL 342 H -0.08 0.17 -0.30 -0.55 8.24 7.48 2d33D1 VAL 342 HA -0.01 0.05 0.44 -0.75 4.13 3.86 2d33D1 VAL 342 HB 0.04 0.26 -0.11 -0.04 2.12 2.26 2d33D1 VAL 342 HG13 0.02 0.03 -0.26 -0.04 0.97 0.72 2d33D1 VAL 342 HG23 0.01 -0.02 -0.08 -0.04 0.95 0.83 2d33D1 ASP 343 H -0.04 0.16 0.13 -0.55 8.40 8.10 2d33D1 ASP 343 HA -0.03 0.29 0.84 -0.75 4.63 4.98 2d33D1 ASP 343 HB2 -0.00 -0.05 0.14 -0.04 2.71 2.76 2d33D1 ASP 343 HB3 -0.01 0.13 -0.18 -0.04 2.70 2.60 2d33D1 GLU 344 H -0.01 0.24 0.12 -0.55 8.60 8.40 2d33D1 GLU 344 HA 0.00 0.08 0.37 -0.75 4.29 3.99 2d33D1 GLU 344 HB2 -0.01 0.06 0.10 -0.04 2.09 2.20 2d33D1 GLU 344 HB3 -0.01 0.03 0.07 -0.04 1.99 2.04 2d33D1 GLU 344 HG2 -0.04 -0.00 -0.17 -0.04 2.34 2.09 2d33D1 GLU 344 HG3 -0.02 -0.02 0.00 -0.04 2.34 2.26 2d33D1 GLN 345 H 0.01 0.12 -0.20 -0.55 8.47 7.86 2d33D1 GLN 345 HA 0.05 0.07 0.40 -0.75 4.36 4.13 2d33D1 GLN 345 HB2 0.06 0.01 0.06 -0.04 2.15 2.24 2d33D1 GLN 345 HB3 0.07 0.00 0.02 -0.04 2.02 2.07 2d33D1 GLN 345 HG2 0.18 0.01 -0.13 -0.04 2.40 2.42 2d33D1 GLN 345 HG3 0.11 -0.01 0.01 -0.04 2.39 2.46 2d33D1 GLN 345 HE21 0.09 0.09 -0.07 -0.04 6.97 7.04 2d33D1 GLN 345 HE22 0.07 -0.03 -0.04 -0.04 7.69 7.65 2d33D1 GLN 346 H -0.12 0.08 -0.21 -0.55 8.47 7.67 2d33D1 GLN 346 HA -0.29 0.09 0.46 -0.75 4.36 3.87 2d33D1 GLN 346 HB2 -0.20 0.07 0.12 -0.04 2.15 2.09 2d33D1 GLN 346 HB3 -0.41 0.08 -0.01 -0.04 2.02 1.63 2d33D1 GLN 346 HG2 -1.94 0.09 -0.00 -0.04 2.40 0.50 2d33D1 GLN 346 HG3 -0.38 -0.14 0.04 -0.04 2.39 1.87 2d33D1 GLN 346 HE21 0.02 0.19 0.00 -0.04 6.97 7.14 2d33D1 GLN 346 HE22 -0.66 0.00 -0.01 -0.04 7.69 6.98 2d33D1 VAL 347 H -0.04 0.37 -0.14 -0.55 8.24 7.89 2d33D1 VAL 347 HA -0.18 0.07 0.29 -0.75 4.13 3.56 2d33D1 VAL 347 HB 0.05 -0.01 0.06 -0.04 2.12 2.17 2d33D1 VAL 347 HG13 0.24 -0.00 -0.18 -0.04 0.97 0.99 2d33D1 VAL 347 HG23 0.08 0.04 -0.10 -0.04 0.95 0.93 2d33D1 ARG 348 H 0.03 0.70 -0.09 -0.55 8.46 8.54 2d33D1 ARG 348 HA 0.19 0.01 0.43 -0.75 4.34 4.21 2d33D1 ARG 348 HB2 0.02 0.11 0.13 -0.04 1.90 2.12 2d33D1 ARG 348 HB3 -0.01 -0.05 -0.01 -0.04 1.80 1.69 2d33D1 ARG 348 HG2 -0.54 -0.03 -0.01 -0.04 1.67 1.05 2d33D1 ARG 348 HG3 -0.11 0.00 0.01 -0.04 1.67 1.53 2d33D1 ARG 348 HD2 -0.13 0.03 -0.13 -0.04 3.22 2.96 2d33D1 ARG 348 HD3 -0.43 -0.06 -0.22 -0.04 3.22 2.47 2d33D1 PHE 349 H 0.25 0.60 -0.20 -0.55 8.34 8.44 2d33D1 PHE 349 HA 0.12 -0.02 0.37 -0.75 4.62 4.33 2d33D1 PHE 349 HB2 0.20 -0.01 0.06 -0.04 3.15 3.35 2d33D1 PHE 349 HB3 0.20 0.11 0.14 -0.04 3.06 3.47 2d33D1 PHE 349 HD2 0.12 0.02 -0.14 -0.04 7.28 7.24 2d33D1 PHE 349 HE2 -0.36 -0.00 -0.11 -0.04 7.38 6.86 2d33D1 PHE 349 HZ -0.58 0.01 -0.11 -0.04 7.32 6.60 2d33D1 LEU 350 H 0.02 0.57 -0.19 -0.55 8.37 8.23 2d33D1 LEU 350 HA -0.15 -0.00 0.38 -0.75 4.35 3.82 2d33D1 LEU 350 HB2 -0.77 0.07 0.10 -0.04 1.64 1.00 2d33D1 LEU 350 HB3 -0.46 -0.02 -0.04 -0.04 1.64 1.07 2d33D1 LEU 350 HG 0.11 0.08 0.00 -0.04 1.64 1.79 2d33D1 LEU 350 HD13 -0.24 -0.01 -0.08 -0.04 0.93 0.55 2d33D1 LEU 350 HD23 0.22 -0.01 -0.04 -0.04 0.89 1.02 2d33D1 ASP 351 H 0.05 0.56 -0.11 -0.55 8.40 8.36 2d33D1 ASP 351 HA 0.16 0.02 0.41 -0.75 4.63 4.46 2d33D1 ASP 351 HB2 0.32 0.20 0.17 -0.04 2.71 3.35 2d33D1 ASP 351 HB3 0.14 -0.04 -0.07 -0.04 2.70 2.70 2d33D1 LEU 352 H -0.04 0.48 -0.19 -0.55 8.37 8.08 2d33D1 LEU 352 HA -0.12 -0.01 0.34 -0.75 4.35 3.81 2d33D1 LEU 352 HB2 -0.30 0.18 0.15 -0.04 1.64 1.63 2d33D1 LEU 352 HB3 -0.17 -0.08 0.02 -0.04 1.64 1.38 2d33D1 LEU 352 HG 0.11 0.18 0.07 -0.04 1.64 1.96 2d33D1 LEU 352 HD13 0.13 -0.02 -0.06 -0.04 0.93 0.94 2d33D1 LEU 352 HD23 -0.15 -0.02 -0.10 -0.04 0.89 0.58 2d33D1 PHE 353 H -0.35 0.59 -0.13 -0.55 8.34 7.90 2d33D1 PHE 353 HA -0.34 -0.02 0.21 -0.75 4.62 3.71 2d33D1 PHE 353 HB2 -1.12 0.02 0.04 -0.04 3.15 2.04 2d33D1 PHE 353 HB3 -0.39 0.05 0.09 -0.04 3.06 2.77 2d33D1 PHE 353 HD2 -0.19 -0.01 -0.06 -0.04 7.28 6.97 2d33D1 PHE 353 HE2 -0.21 0.01 -0.07 -0.04 7.38 7.06 2d33D1 PHE 353 HZ -0.09 -0.02 -0.35 -0.04 7.32 6.82 2d33D1 MET 354 H -0.22 0.77 -0.12 -0.55 8.47 8.36 2d33D1 MET 354 HA -0.30 0.02 0.34 -0.75 4.52 3.83 2d33D1 MET 354 HB2 -1.06 0.07 0.04 -0.04 2.15 1.15 2d33D1 MET 354 HB3 -0.90 -0.04 -0.05 -0.04 2.03 1.00 2d33D1 MET 354 HG2 -0.16 0.19 -0.01 -0.04 2.63 2.62 2d33D1 MET 354 HG3 -0.38 -0.05 -0.10 -0.04 2.56 1.99 2d33D1 MET 354 HE3 -0.12 -0.00 -0.10 -0.04 2.10 1.84 2d33D1 VAL 355 H -0.17 0.55 -0.19 -0.55 8.24 7.88 2d33D1 VAL 355 HA -0.13 0.04 0.43 -0.75 4.13 3.72 2d33D1 VAL 355 HB -0.05 0.07 0.15 -0.04 2.12 2.25 2d33D1 VAL 355 HG13 -0.02 -0.02 -0.17 -0.04 0.97 0.72 2d33D1 VAL 355 HG23 -0.02 0.05 0.02 -0.04 0.95 0.96 2d33D1 TRP 356 H 0.06 0.66 -0.06 -0.55 7.97 8.09 2d33D1 TRP 356 HA -0.11 -0.05 0.43 -0.75 4.62 4.13 2d33D1 TRP 356 HB2 -0.17 -0.04 0.06 -0.04 3.23 3.04 2d33D1 TRP 356 HB3 -0.28 0.15 0.13 -0.04 3.23 3.18 2d33D1 TRP 356 HD1 -0.11 -0.05 -0.08 -0.04 7.22 6.94 2d33D1 TRP 356 HE1 -0.13 -0.04 -0.02 -0.04 10.20 9.97 2d33D1 TRP 356 HE3 -0.45 0.13 -0.24 -0.04 7.59 6.98 2d33D1 TRP 356 HZ2 -0.32 0.05 -0.02 -0.04 7.44 7.10 2d33D1 TRP 356 HZ3 -0.08 0.05 -0.09 -0.04 7.13 6.97 2d33D1 TRP 356 HH2 -1.04 0.03 -0.01 -0.04 7.19 6.13 2d33D1 CYS 357 H -0.08 0.72 -0.12 -0.55 8.50 8.48 2d33D1 CYS 357 HA -0.21 -0.03 0.34 -0.75 4.58 3.93 2d33D1 CYS 357 HB2 -0.18 0.09 0.12 -0.04 2.97 2.96 2d33D1 CYS 357 HB3 -0.04 -0.00 0.04 -0.04 2.97 2.93 2d33D1 ALA 358 H -0.13 0.36 -0.50 -0.55 8.40 7.58 2d33D1 ALA 358 HA -0.02 0.05 0.49 -0.75 4.34 4.11 2d33D1 ALA 358 HB3 -0.13 -0.02 0.08 -0.04 1.41 1.31 2d33D1 LEU 359 H -0.24 0.36 -0.17 -0.55 8.37 7.78 2d33D1 LEU 359 HA -0.11 0.09 0.66 -0.75 4.35 4.23 2d33D1 LEU 359 HB2 -0.31 0.02 0.11 -0.04 1.64 1.41 2d33D1 LEU 359 HB3 -0.14 -0.18 -0.06 -0.04 1.64 1.21 2d33D1 LEU 359 HG 0.02 0.20 -0.11 -0.04 1.64 1.71 2d33D1 LEU 359 HD13 0.09 -0.05 -0.17 -0.04 0.93 0.75 2d33D1 LEU 359 HD23 0.20 0.01 -0.10 -0.04 0.89 0.96 2d33D1 ALA 360 H -0.73 0.52 0.02 -0.55 8.40 7.67 2d33D1 ALA 360 HA -0.43 -0.13 0.31 -0.75 4.34 3.33 2d33D1 ALA 360 HB3 -1.07 0.01 -0.00 -0.04 1.41 0.30 2d33D1 ASP 361 H -0.16 0.02 0.17 -0.55 8.40 7.88 2d33D1 ASP 361 HA -0.08 0.12 0.61 -0.75 4.63 4.52 2d33D1 ASP 361 HB2 -0.05 -0.05 0.16 -0.04 2.71 2.73 2d33D1 ASP 361 HB3 -0.03 -0.03 -0.02 -0.04 2.70 2.58 2d33D1 ALA 362 H -0.01 0.15 0.09 -0.55 8.40 8.09 2d33D1 ALA 362 HA 0.05 0.22 0.92 -0.75 4.34 4.77 2d33D1 ALA 362 HB3 0.05 0.01 0.02 -0.04 1.41 1.46 2d33D1 PRO 363 HA 0.02 -0.06 0.39 -0.51 4.44 4.28 2d33D1 PRO 363 HB2 0.03 0.08 -0.01 -0.04 2.28 2.35 2d33D1 PRO 363 HB3 0.02 -0.04 0.10 -0.04 2.02 2.07 2d33D1 PRO 363 HG2 0.04 0.03 0.05 -0.04 2.03 2.10 2d33D1 PRO 363 HG3 0.03 -0.01 0.04 -0.04 2.03 2.04 2d33D1 PRO 363 HD2 0.06 0.13 0.12 -0.04 3.68 3.95 2d33D1 PRO 363 HD3 0.03 0.17 -0.12 -0.04 3.65 3.69 2d33D1 GLU 364 H 0.01 -0.00 0.19 -0.55 8.60 8.26 2d33D1 GLU 364 HA 0.02 0.13 0.50 -0.75 4.29 4.18 2d33D1 GLU 364 HB2 0.00 -0.05 0.00 -0.04 2.09 2.00 2d33D1 GLU 364 HB3 -0.01 -0.06 0.07 -0.04 1.99 1.95 2d33D1 GLU 364 HG2 0.00 0.13 0.14 -0.04 2.34 2.57 2d33D1 GLU 364 HG3 0.00 -0.03 0.14 -0.04 2.34 2.41 2d33D1 MET 365 H 0.02 0.16 0.13 -0.55 8.47 8.23 2d33D1 MET 365 HA 0.02 0.13 0.90 -0.75 4.52 4.82 2d33D1 MET 365 HB2 0.04 -0.04 0.02 -0.04 2.15 2.13 2d33D1 MET 365 HB3 0.03 -0.07 -0.06 -0.04 2.03 1.89 2d33D1 MET 365 HG2 0.04 0.04 -0.20 -0.04 2.63 2.46 2d33D1 MET 365 HG3 0.05 0.18 -0.33 -0.04 2.56 2.42 2d33D1 MET 365 HE3 0.05 -0.03 -0.20 -0.04 2.10 1.88 2d33D1 SER 366 H 0.01 0.13 0.11 -0.55 8.46 8.17 2d33D1 SER 366 HA -0.01 0.17 0.62 -0.75 4.49 4.51 2d33D1 SER 366 HB2 -0.01 0.00 0.18 -0.04 3.95 4.08 2d33D1 SER 366 HB3 -0.00 0.11 0.12 -0.04 3.93 4.12 2d33D1 SER 367 H -0.02 0.19 0.14 -0.55 8.46 8.23 2d33D1 SER 367 HA -0.02 0.23 0.29 -0.75 4.49 4.23 2d33D1 SER 367 HB2 -0.03 0.10 0.10 -0.04 3.95 4.08 2d33D1 SER 367 HB3 -0.01 -0.06 0.10 -0.04 3.93 3.92 2d33D1 SER 368 H 0.00 0.02 -0.18 -0.55 8.46 7.75 2d33D1 SER 368 HA 0.02 0.21 0.57 -0.75 4.49 4.53 2d33D1 SER 368 HB2 0.02 0.07 0.06 -0.04 3.95 4.06 2d33D1 SER 368 HB3 0.01 0.04 0.02 -0.04 3.93 3.96 2d33D1 GLU 369 H 0.02 -0.03 -0.19 -0.55 8.60 7.85 2d33D1 GLU 369 HA 0.04 0.08 0.68 -0.75 4.29 4.32 2d33D1 GLU 369 HB2 0.02 0.01 0.10 -0.04 2.09 2.18 2d33D1 GLU 369 HB3 0.03 0.10 0.02 -0.04 1.99 2.11 2d33D1 GLU 369 HG2 0.03 0.06 0.06 -0.04 2.34 2.45 2d33D1 GLU 369 HG3 0.02 -0.10 0.05 -0.04 2.34 2.27 2d33D1 LEU 370 H 0.01 0.45 -0.31 -0.55 8.37 7.98 2d33D1 LEU 370 HA 0.01 0.06 0.40 -0.75 4.35 4.06 2d33D1 LEU 370 HB2 -0.01 0.16 0.12 -0.04 1.64 1.86 2d33D1 LEU 370 HB3 -0.13 0.02 -0.03 -0.04 1.64 1.46 2d33D1 LEU 370 HG 0.01 -0.02 -0.08 -0.04 1.64 1.51 2d33D1 LEU 370 HD13 0.13 -0.04 -0.01 -0.04 0.93 0.97 2d33D1 LEU 370 HD23 -0.23 -0.00 -0.02 -0.04 0.89 0.59 2d33D1 ALA 371 H 0.03 0.29 -0.13 -0.55 8.40 8.04 2d33D1 ALA 371 HA 0.07 0.08 0.47 -0.75 4.34 4.20 2d33D1 ALA 371 HB3 0.04 0.03 0.11 -0.04 1.41 1.55 2d33D1 CYS 372 H 0.06 0.39 -0.33 -0.55 8.50 8.07 2d33D1 CYS 372 HA 0.07 0.05 0.32 -0.75 4.58 4.26 2d33D1 CYS 372 HB2 0.06 0.20 0.19 -0.04 2.97 3.38 2d33D1 CYS 372 HB3 0.07 -0.25 -0.01 -0.04 2.97 2.73 2d33D1 THR 373 H 0.12 0.39 -0.41 -0.55 8.28 7.84 2d33D1 THR 373 HA 0.19 -0.04 0.48 -0.75 4.39 4.28 2d33D1 THR 373 HB 0.38 0.20 0.02 -0.04 4.32 4.88 2d33D1 THR 373 HG23 0.13 0.01 0.01 -0.04 1.22 1.33 2d33D1 ARG 374 H 0.16 0.51 -0.35 -0.55 8.46 8.23 2d33D1 ARG 374 HA 0.26 0.02 0.46 -0.75 4.34 4.32 2d33D1 ARG 374 HB2 0.10 0.07 0.15 -0.04 1.90 2.18 2d33D1 ARG 374 HB3 0.11 0.04 0.01 -0.04 1.80 1.91 2d33D1 ARG 374 HG2 0.07 0.01 -0.00 -0.04 1.67 1.71 2d33D1 ARG 374 HG3 0.13 -0.11 0.00 -0.04 1.67 1.65 2d33D1 ARG 374 HD2 -0.05 -0.04 0.08 -0.04 3.22 3.17 2d33D1 ARG 374 HD3 -0.03 0.04 0.03 -0.04 3.22 3.22 2d33D1 VAL 375 H 0.14 0.49 -0.37 -0.55 8.24 7.95 2d33D1 VAL 375 HA 0.09 0.00 0.34 -0.75 4.13 3.81 2d33D1 VAL 375 HB 0.07 0.26 0.11 -0.04 2.12 2.52 2d33D1 VAL 375 HG13 0.02 -0.02 -0.10 -0.04 0.97 0.83 2d33D1 VAL 375 HG23 0.06 -0.02 0.02 -0.04 0.95 0.97 2d33D1 ASN 376 H 0.09 0.27 -0.08 -0.55 8.53 8.27 2d33D1 ASN 376 HA -0.17 0.01 0.54 -0.75 4.76 4.38 2d33D1 ASN 376 HB2 -0.02 0.16 0.18 -0.04 2.88 3.16 2d33D1 ASN 376 HB3 -0.81 -0.04 0.03 -0.04 2.79 1.93 2d33D1 ASN 376 HD21 -0.02 0.73 0.23 -0.04 7.03 7.92 2d33D1 ASN 376 HD22 0.02 0.06 0.15 -0.04 7.74 7.93 2d33D1 TRP 377 H 0.44 0.34 -0.19 -0.55 7.97 8.02 2d33D1 TRP 377 HA 0.18 -0.05 0.43 -0.75 4.62 4.42 2d33D1 TRP 377 HB2 0.11 0.13 0.20 -0.04 3.23 3.63 2d33D1 TRP 377 HB3 0.11 -0.01 0.01 -0.04 3.23 3.30 2d33D1 TRP 377 HD1 0.18 0.45 0.07 -0.04 7.22 7.88 2d33D1 TRP 377 HE1 0.07 0.52 0.12 -0.04 10.20 10.86 2d33D1 TRP 377 HE3 0.11 -0.01 0.00 -0.04 7.59 7.66 2d33D1 TRP 377 HZ2 -0.56 0.24 0.03 -0.04 7.44 7.11 2d33D1 TRP 377 HZ3 0.07 0.00 -0.02 -0.04 7.13 7.14 2d33D1 TRP 377 HH2 -0.21 -0.00 -0.08 -0.04 7.19 6.85 2d33D1 ASN 378 H 0.23 0.76 -0.09 -0.55 8.53 8.89 2d33D1 ASN 378 HA 0.16 -0.02 0.39 -0.75 4.76 4.54 2d33D1 ASN 378 HB2 0.09 0.14 0.13 -0.04 2.88 3.20 2d33D1 ASN 378 HB3 0.07 -0.07 -0.02 -0.04 2.79 2.73 2d33D1 ASN 378 HD21 0.09 -0.03 -0.05 -0.04 7.03 7.00 2d33D1 ASN 378 HD22 0.08 -0.01 -0.05 -0.04 7.74 7.71 2d33D1 ARG 379 H 0.02 0.53 -0.11 -0.55 8.46 8.34 2d33D1 ARG 379 HA -0.00 0.01 0.48 -0.75 4.34 4.07 2d33D1 ARG 379 HB2 -0.14 0.10 0.18 -0.04 1.90 2.00 2d33D1 ARG 379 HB3 -0.09 -0.02 -0.02 -0.04 1.80 1.62 2d33D1 ARG 379 HG2 -0.03 -0.06 0.03 -0.04 1.67 1.57 2d33D1 ARG 379 HG3 -0.03 0.22 0.08 -0.04 1.67 1.90 2d33D1 ARG 379 HD2 -0.13 -0.07 0.09 -0.04 3.22 3.07 2d33D1 ARG 379 HD3 -0.09 0.06 0.08 -0.04 3.22 3.23 2d33D1 VAL 380 H -0.06 0.64 -0.09 -0.55 8.24 8.18 2d33D1 VAL 380 HA 0.01 0.02 0.31 -0.75 4.13 3.71 2d33D1 VAL 380 HB 0.03 0.09 0.17 -0.04 2.12 2.38 2d33D1 VAL 380 HG13 0.21 0.03 -0.11 -0.04 0.97 1.05 2d33D1 VAL 380 HG23 -0.25 0.01 -0.01 -0.04 0.95 0.65 2d33D1 ILE 381 H 0.13 0.83 -0.03 -0.55 8.25 8.62 2d33D1 ILE 381 HA 0.13 -0.15 0.43 -0.75 4.18 3.85 2d33D1 ILE 381 HB 0.15 0.08 0.14 -0.04 1.89 2.22 2d33D1 ILE 381 HG12 0.23 -0.06 0.03 -0.04 1.49 1.65 2d33D1 ILE 381 HG13 0.30 0.05 0.07 -0.04 1.21 1.59 2d33D1 ILE 381 HG23 0.12 0.01 -0.27 -0.04 0.93 0.74 2d33D1 ILE 381 HD13 0.29 -0.01 -0.27 -0.04 0.88 0.85 2d33D1 LEU 382 H 0.06 0.69 -0.17 -0.55 8.37 8.41 2d33D1 LEU 382 HA 0.04 -0.00 0.35 -0.75 4.35 3.98 2d33D1 LEU 382 HB2 0.02 0.12 0.05 -0.04 1.64 1.79 2d33D1 LEU 382 HB3 -0.02 -0.07 0.03 -0.04 1.64 1.55 2d33D1 LEU 382 HG 0.06 0.12 0.08 -0.04 1.64 1.85 2d33D1 LEU 382 HD13 0.01 -0.02 -0.03 -0.04 0.93 0.86 2d33D1 LEU 382 HD23 0.02 -0.04 -0.08 -0.04 0.89 0.76 2d33D1 GLU 383 H 0.05 0.50 -0.19 -0.55 8.60 8.42 2d33D1 GLU 383 HA 0.15 0.02 0.30 -0.75 4.29 4.00 2d33D1 GLU 383 HB2 0.08 -0.08 0.15 -0.04 2.09 2.19 2d33D1 GLU 383 HB3 0.08 0.06 -0.22 -0.04 1.99 1.87 2d33D1 GLU 383 HG2 0.01 -0.01 -0.10 -0.04 2.34 2.21 2d33D1 GLU 383 HG3 -0.01 0.04 -0.08 -0.04 2.34 2.25 2d33D1 GLY 384 H 0.09 0.39 0.07 -0.55 8.43 8.43 2d33D1 GLY 384 HA2 0.05 -0.06 0.34 -0.51 4.01 3.83 2d33D1 GLY 384 HA3 0.17 0.07 0.42 -0.51 4.01 4.16 2d33D1 ARG 385 H 0.13 0.56 -0.28 -0.55 8.46 8.32 2d33D1 ARG 385 HA 0.15 0.14 0.71 -0.75 4.34 4.60 2d33D1 ARG 385 HB2 0.19 0.05 0.02 -0.04 1.90 2.11 2d33D1 ARG 385 HB3 0.11 -0.08 0.13 -0.04 1.80 1.91 2d33D1 ARG 385 HG2 -0.11 -0.02 0.01 -0.04 1.67 1.52 2d33D1 ARG 385 HG3 -0.03 0.01 -0.14 -0.04 1.67 1.47 2d33D1 ARG 385 HD2 0.01 -0.04 -0.04 -0.04 3.22 3.11 2d33D1 ARG 385 HD3 -0.10 -0.12 0.02 -0.04 3.22 2.98 2d33D1 LYS 386 H -0.08 0.48 -0.33 -0.55 8.42 7.93 2d33D1 LYS 386 HA -1.06 0.06 0.46 -0.75 4.32 3.03 2d33D1 LYS 386 HB2 -0.37 -0.04 0.10 -0.04 1.87 1.52 2d33D1 LYS 386 HB3 -0.20 -0.00 0.10 -0.04 1.79 1.65 2d33D1 LYS 386 HG2 -0.26 0.19 -0.25 -0.04 1.46 1.10 2d33D1 LYS 386 HG3 -0.60 -0.04 0.01 -0.04 1.46 0.79 2d33D1 PRO 387 HA -0.07 0.01 0.42 -0.51 4.44 4.29 2d33D1 PRO 387 HB2 -0.08 -0.01 0.08 -0.04 2.28 2.22 2d33D1 PRO 387 HB3 -0.05 0.00 0.12 -0.04 2.02 2.05 2d33D1 PRO 387 HG2 -0.06 -0.01 0.11 -0.04 2.03 2.03 2d33D1 PRO 387 HG3 -0.06 0.07 0.14 -0.04 2.03 2.15 2d33D1 PRO 387 HD2 -0.46 0.04 0.21 -0.04 3.68 3.43 2d33D1 PRO 387 HD3 -0.49 0.27 0.33 -0.04 3.65 3.72 2d33D1 GLY 388 H -0.05 0.10 0.22 -0.55 8.43 8.15 2d33D1 GLY 388 HA2 -0.05 -0.04 0.34 -0.51 4.01 3.75 2d33D1 GLY 388 HA3 -0.06 0.10 0.53 -0.51 4.01 4.06 2d33D1 LEU 389 H -0.09 0.43 -0.09 -0.55 8.37 8.08 2d33D1 LEU 389 HA -0.08 0.02 0.34 -0.75 4.35 3.88 2d33D1 LEU 389 HB2 -0.10 0.17 0.10 -0.04 1.64 1.77 2d33D1 LEU 389 HB3 -0.10 -0.07 0.09 -0.04 1.64 1.52 2d33D1 LEU 389 HG -0.13 0.01 -0.18 -0.04 1.64 1.29 2d33D1 LEU 389 HD13 -0.08 -0.01 -0.01 -0.04 0.93 0.79 2d33D1 LEU 389 HD23 -0.10 0.02 -0.15 -0.04 0.89 0.62 2d33D1 THR 390 H -0.08 0.20 0.19 -0.55 8.28 8.04 2d33D1 THR 390 HA -0.07 0.21 0.82 -0.75 4.39 4.60 2d33D1 THR 390 HB -0.06 -0.11 -0.48 -0.04 4.32 3.63 2d33D1 THR 390 HG23 -0.06 0.06 -0.32 -0.04 1.22 0.85 2d33D1 LEU 391 H -0.01 0.71 0.32 -0.55 8.37 8.85 2d33D1 LEU 391 HA -0.14 0.18 0.94 -0.75 4.35 4.59 2d33D1 LEU 391 HB2 -0.11 -0.00 0.08 -0.04 1.64 1.57 2d33D1 LEU 391 HB3 -0.30 0.06 0.14 -0.04 1.64 1.51 2d33D1 LEU 391 HG -0.33 -0.04 -0.22 -0.04 1.64 1.01 2d33D1 LEU 391 HD13 -1.18 0.00 -0.03 -0.04 0.93 -0.32 2d33D1 LEU 391 HD23 -0.50 0.04 -0.05 -0.04 0.89 0.34 2d33D1 GLY 392 H -0.03 0.17 0.11 -0.55 8.43 8.14 2d33D1 GLY 392 HA2 0.23 0.14 0.93 -0.51 4.01 4.79 2d33D1 GLY 392 HA3 0.07 0.28 0.07 -0.51 4.01 3.93 2d33D1 ILE 393 H 0.15 0.21 0.02 -0.55 8.25 8.08 2d33D1 ILE 393 HA 0.08 0.22 0.94 -0.75 4.18 4.67 2d33D1 ILE 393 HB 0.14 -0.06 0.13 -0.04 1.89 2.06 2d33D1 ILE 393 HG12 0.05 0.12 -0.04 -0.04 1.49 1.58 2d33D1 ILE 393 HG13 0.28 -0.06 -0.18 -0.04 1.21 1.21 2d33D1 ILE 393 HG23 0.07 -0.00 -0.10 -0.04 0.93 0.87 2d33D1 ILE 393 HD13 0.09 0.01 -0.01 -0.04 0.88 0.93 2d33D1 GLY 394 H 0.07 0.21 0.06 -0.55 8.43 8.22 2d33D1 GLY 394 HA2 0.08 0.10 0.07 -0.51 4.01 3.75 2d33D1 GLY 394 HA3 0.06 -0.07 0.50 -0.51 4.01 3.99 2d33D1 CYS 395 H 0.05 0.06 0.23 -0.55 8.50 8.29 2d33D1 CYS 395 HA 0.04 0.16 0.56 -0.75 4.58 4.59 2d33D1 CYS 395 HB2 0.04 -0.05 0.12 -0.04 2.97 3.04 2d33D1 CYS 395 HB3 0.03 0.00 0.10 -0.04 2.97 3.06 2d33D1 GLU 396 H 0.05 0.42 -0.19 -0.55 8.60 8.34 2d33D1 GLU 396 HA 0.03 0.02 0.32 -0.75 4.29 3.90 2d33D1 GLU 396 HB2 0.06 0.22 0.19 -0.04 2.09 2.52 2d33D1 GLU 396 HB3 0.05 0.04 0.07 -0.04 1.99 2.11 2d33D1 GLU 396 HG2 0.03 -0.02 0.06 -0.04 2.34 2.37 2d33D1 GLU 396 HG3 0.03 -0.05 -0.03 -0.04 2.34 2.25 2d33D1 THR 397 H 0.01 0.03 0.13 -0.55 8.28 7.90 2d33D1 THR 397 HA -0.00 0.02 0.40 -0.75 4.39 4.05 2d33D1 THR 397 HB -0.03 -0.00 -0.03 -0.04 4.32 4.22 2d33D1 THR 397 HG23 -0.03 0.06 -0.02 -0.04 1.22 1.19 2d33D1 ALA 398 H -0.02 0.08 0.08 -0.55 8.40 7.99 2d33D1 ALA 398 HA -0.01 -0.01 -0.14 -0.75 4.34 3.43 2d33D1 ALA 398 HB3 -0.04 -0.00 -0.14 -0.04 1.41 1.19 2d33D1 GLN 399 H -0.05 0.47 0.19 -0.55 8.47 8.53 2d33D1 GLN 399 HA -0.19 0.12 0.79 -0.75 4.36 4.32 2d33D1 GLN 399 HB2 -0.25 0.07 -0.22 -0.04 2.15 1.71 2d33D1 GLN 399 HB3 -0.65 -0.00 0.08 -0.04 2.02 1.41 2d33D1 GLN 399 HG2 -0.52 -0.04 -0.03 -0.04 2.40 1.77 2d33D1 GLN 399 HG3 -0.91 -0.01 -0.18 -0.04 2.39 1.25 2d33D1 GLN 399 HE21 -0.14 -0.03 0.04 -0.04 6.97 6.79 2d33D1 GLN 399 HE22 -0.25 -0.02 0.00 -0.04 7.69 7.38 2d33D1 PHE 400 H 0.04 0.56 0.37 -0.55 8.34 8.76 2d33D1 PHE 400 HA -0.03 0.18 0.57 -0.75 4.62 4.58 2d33D1 PHE 400 HB2 -0.03 -0.05 0.14 -0.04 3.15 3.16 2d33D1 PHE 400 HB3 -0.02 0.02 0.00 -0.04 3.06 3.03 2d33D1 PHE 400 HD2 0.00 0.08 0.00 -0.04 7.28 7.32 2d33D1 PHE 400 HE2 0.03 -0.03 -0.04 -0.04 7.38 7.29 2d33D1 PHE 400 HZ 0.04 -0.03 -0.03 -0.04 7.32 7.26 2d33D1 PRO 401 HA -0.03 0.30 0.58 -0.51 4.44 4.78 2d33D1 PRO 401 HB2 -0.01 -0.19 0.13 -0.04 2.28 2.17 2d33D1 PRO 401 HB3 -0.02 0.10 0.12 -0.04 2.02 2.17 2d33D1 PRO 401 HG2 -0.00 -0.01 0.13 -0.04 2.03 2.11 2d33D1 PRO 401 HG3 -0.03 0.12 0.12 -0.04 2.03 2.20 2d33D1 PRO 401 HD2 0.07 0.01 0.24 -0.04 3.68 3.96 2d33D1 PRO 401 HD3 -0.02 0.32 0.38 -0.04 3.65 4.29 2d33D1 LEU 402 H -0.08 0.71 0.32 -0.55 8.37 8.77 2d33D1 LEU 402 HA -0.13 -0.03 0.38 -0.75 4.35 3.82 2d33D1 LEU 402 HB2 -0.19 0.03 0.04 -0.04 1.64 1.48 2d33D1 LEU 402 HB3 -0.11 0.08 0.13 -0.04 1.64 1.70 2d33D1 LEU 402 HG -0.20 -0.12 0.03 -0.04 1.64 1.31 2d33D1 LEU 402 HD13 -0.29 0.05 0.00 -0.04 0.93 0.64 2d33D1 LEU 402 HD23 -0.32 0.00 -0.26 -0.04 0.89 0.28 2d33D1 PRO 403 HA 0.05 0.06 0.55 -0.51 4.44 4.59 2d33D1 PRO 403 HB2 -0.00 -0.05 -0.02 -0.04 2.28 2.16 2d33D1 PRO 403 HB3 0.04 0.17 0.06 -0.04 2.02 2.25 2d33D1 PRO 403 HG2 -0.00 -0.02 0.08 -0.04 2.03 2.05 2d33D1 PRO 403 HG3 0.04 0.21 0.13 -0.04 2.03 2.37 2d33D1 PRO 403 HD2 -0.03 0.01 -0.04 -0.04 3.68 3.57 2d33D1 PRO 403 HD3 -0.04 0.17 0.15 -0.04 3.65 3.90 2d33D1 GLN 404 H -0.03 0.30 -0.22 -0.55 8.47 7.97 2d33D1 GLN 404 HA -0.05 0.05 0.57 -0.75 4.36 4.18 2d33D1 GLN 404 HB2 -0.00 -0.02 0.10 -0.04 2.15 2.19 2d33D1 GLN 404 HB3 0.02 0.10 0.08 -0.04 2.02 2.19 2d33D1 GLN 404 HG2 0.02 0.01 0.02 -0.04 2.40 2.41 2d33D1 GLN 404 HG3 0.02 0.01 -0.05 -0.04 2.39 2.33 2d33D1 GLN 404 HE21 -0.01 -0.01 -0.00 -0.04 6.97 6.91 2d33D1 GLN 404 HE22 -0.01 0.02 -0.00 -0.04 7.69 7.66 2d33D1 VAL 405 H -0.05 0.49 -0.12 -0.55 8.24 8.02 2d33D1 VAL 405 HA -0.05 0.01 0.41 -0.75 4.13 3.75 2d33D1 VAL 405 HB 0.03 0.13 0.15 -0.04 2.12 2.39 2d33D1 VAL 405 HG13 0.21 -0.02 -0.09 -0.04 0.97 1.03 2d33D1 VAL 405 HG23 0.03 0.05 -0.09 -0.04 0.95 0.90 2d33D1 GLY 406 H -0.34 0.61 -0.04 -0.55 8.43 8.11 2d33D1 GLY 406 HA2 -0.63 -0.00 0.40 -0.51 4.01 3.26 2d33D1 GLY 406 HA3 -1.93 0.11 0.30 -0.51 4.01 1.98 2d33D1 LYS 407 H -0.30 0.50 -0.20 -0.55 8.42 7.86 2d33D1 LYS 407 HA -0.10 -0.01 0.43 -0.75 4.32 3.90 2d33D1 LYS 407 HB2 -0.09 0.12 0.18 -0.04 1.87 2.04 2d33D1 LYS 407 HB3 -0.04 -0.06 0.00 -0.04 1.79 1.64 2d33D1 LYS 407 HG2 -0.04 -0.07 0.03 -0.04 1.46 1.34 2d33D1 LYS 407 HG3 -0.10 0.03 0.06 -0.04 1.46 1.42 2d33D1 LYS 407 HD2 -0.03 0.03 -0.04 -0.04 1.69 1.61 2d33D1 LYS 407 HD3 -0.02 -0.06 -0.02 -0.04 1.68 1.54 2d33D1 LYS 407 HE2 -0.00 -0.03 -0.06 -0.04 2.99 2.85 2d33D1 LYS 407 HE3 0.02 0.06 -0.10 -0.04 2.99 2.94 2d33D1 ASP 408 H -0.12 0.55 -0.25 -0.55 8.40 8.04 2d33D1 ASP 408 HA -0.04 -0.02 0.44 -0.75 4.63 4.26 2d33D1 ASP 408 HB2 -0.07 0.25 0.25 -0.04 2.71 3.09 2d33D1 ASP 408 HB3 -0.11 0.01 0.09 -0.04 2.70 2.65 2d33D1 LEU 409 H -0.21 0.60 0.00 -0.55 8.37 8.22 2d33D1 LEU 409 HA -0.45 0.01 0.50 -0.75 4.35 3.65 2d33D1 LEU 409 HB2 -0.50 0.03 0.13 -0.04 1.64 1.26 2d33D1 LEU 409 HB3 -0.31 0.15 0.18 -0.04 1.64 1.62 2d33D1 LEU 409 HG -0.67 -0.07 -0.21 -0.04 1.64 0.65 2d33D1 LEU 409 HD13 -1.52 -0.01 0.04 -0.04 0.93 -0.60 2d33D1 LEU 409 HD23 -0.48 0.01 -0.02 -0.04 0.89 0.36 2d33D1 PHE 410 H 0.07 0.60 -0.23 -0.55 8.34 8.22 2d33D1 PHE 410 HA -0.10 -0.06 0.42 -0.75 4.62 4.12 2d33D1 PHE 410 HB2 -0.09 0.14 0.13 -0.04 3.15 3.30 2d33D1 PHE 410 HB3 -0.01 -0.06 0.03 -0.04 3.06 2.98 2d33D1 PHE 410 HD2 -0.06 0.12 0.04 -0.04 7.28 7.34 2d33D1 PHE 410 HE2 0.19 -0.00 -0.04 -0.04 7.38 7.49 2d33D1 PHE 410 HZ 0.03 0.00 -0.10 -0.04 7.32 7.21 2d33D1 ARG 411 H 0.01 0.57 -0.18 -0.55 8.46 8.30 2d33D1 ARG 411 HA 0.04 0.01 0.60 -0.75 4.34 4.23 2d33D1 ARG 411 HB2 -0.00 0.20 0.22 -0.04 1.90 2.28 2d33D1 ARG 411 HB3 0.02 -0.07 -0.00 -0.04 1.80 1.71 2d33D1 ARG 411 HG2 0.02 -0.07 0.06 -0.04 1.67 1.65 2d33D1 ARG 411 HG3 0.02 0.03 0.05 -0.04 1.67 1.73 2d33D1 ARG 411 HD2 0.01 -0.02 0.02 -0.04 3.22 3.19 2d33D1 ARG 411 HD3 0.01 -0.05 0.00 -0.04 3.22 3.15 2d33D1 ASP 412 H -0.07 0.46 -0.21 -0.55 8.40 8.03 2d33D1 ASP 412 HA 0.06 0.03 0.49 -0.75 4.63 4.46 2d33D1 ASP 412 HB2 -0.12 0.20 0.17 -0.04 2.71 2.92 2d33D1 ASP 412 HB3 0.35 -0.06 0.00 -0.04 2.70 2.95 2d33D1 LEU 413 H -0.21 0.54 0.04 -0.55 8.37 8.19 2d33D1 LEU 413 HA -0.10 0.04 0.30 -0.75 4.35 3.84 2d33D1 LEU 413 HB2 -0.42 0.04 0.07 -0.04 1.64 1.29 2d33D1 LEU 413 HB3 -0.28 -0.07 0.01 -0.04 1.64 1.26 2d33D1 LEU 413 HG -0.63 0.27 -0.06 -0.04 1.64 1.18 2d33D1 LEU 413 HD13 -0.81 -0.01 -0.10 -0.04 0.93 -0.03 2d33D1 LEU 413 HD23 -0.35 -0.02 -0.15 -0.04 0.89 0.34 2d33D1 LYS 414 H -0.00 0.55 -0.40 -0.55 8.42 8.01 2d33D1 LYS 414 HA 0.07 -0.05 0.41 -0.75 4.32 3.99 2d33D1 LYS 414 HB2 0.10 0.21 0.15 -0.04 1.87 2.28 2d33D1 LYS 414 HB3 0.05 0.17 0.09 -0.04 1.79 2.06 2d33D1 LYS 414 HG2 0.07 0.02 -0.00 -0.04 1.46 1.51 2d33D1 LYS 414 HG3 0.05 -0.02 -0.08 -0.04 1.46 1.37 2d33D1 LYS 414 HD2 0.08 -0.11 0.14 -0.04 1.69 1.76 2d33D1 LYS 414 HD3 0.11 0.01 0.04 -0.04 1.68 1.80 2d33D1 LYS 414 HE2 0.05 0.03 -0.01 -0.04 2.99 3.02 2d33D1 LYS 414 HE3 0.07 -0.13 0.03 -0.04 2.99 2.92 2d33D1 ARG 415 H 0.03 0.38 -0.30 -0.55 8.46 8.02 2d33D1 ARG 415 HA 0.03 0.01 0.54 -0.75 4.34 4.16 2d33D1 ARG 415 HB2 0.05 0.17 0.18 -0.04 1.90 2.26 2d33D1 ARG 415 HB3 0.04 -0.03 -0.01 -0.04 1.80 1.76 2d33D1 ARG 415 HG2 0.03 -0.05 0.03 -0.04 1.67 1.64 2d33D1 ARG 415 HG3 0.03 0.12 0.08 -0.04 1.67 1.86 2d33D1 ARG 415 HD2 0.03 -0.01 -0.01 -0.04 3.22 3.19 2d33D1 ARG 415 HD3 0.05 -0.01 0.01 -0.04 3.22 3.23 2d33D1 VAL 416 H 0.02 0.50 -0.10 -0.55 8.24 8.11 2d33D1 VAL 416 HA 0.00 0.06 0.49 -0.75 4.13 3.92 2d33D1 VAL 416 HB -0.03 0.11 0.15 -0.04 2.12 2.30 2d33D1 VAL 416 HG13 -0.07 -0.00 -0.05 -0.04 0.97 0.81 2d33D1 VAL 416 HG23 0.09 0.06 -0.02 -0.04 0.95 1.04 2d33D1 ALA 417 H -0.00 0.61 -0.25 -0.55 8.40 8.21 2d33D1 ALA 417 HA -0.09 -0.03 0.28 -0.75 4.34 3.74 2d33D1 ALA 417 HB3 0.09 0.00 -0.09 -0.04 1.41 1.38 2d33D1 GLN 418 H 0.02 0.55 -0.16 -0.55 8.47 8.34 2d33D1 GLN 418 HA 0.03 -0.05 0.50 -0.75 4.36 4.09 2d33D1 GLN 418 HB2 0.02 0.18 0.18 -0.04 2.15 2.48 2d33D1 GLN 418 HB3 0.01 0.00 -0.04 -0.04 2.02 1.95 2d33D1 GLN 418 HG2 0.02 -0.04 0.05 -0.04 2.40 2.39 2d33D1 GLN 418 HG3 0.04 -0.07 0.06 -0.04 2.39 2.37 2d33D1 GLN 418 HE21 0.03 -0.01 -0.04 -0.04 6.97 6.91 2d33D1 GLN 418 HE22 0.03 -0.06 -0.01 -0.04 7.69 7.61 2d33D1 THR 419 H -0.02 0.44 -0.24 -0.55 8.28 7.92 2d33D1 THR 419 HA -0.03 0.04 0.47 -0.75 4.39 4.12 2d33D1 THR 419 HB -0.04 0.10 0.11 -0.04 4.32 4.45 2d33D1 THR 419 HG23 -0.05 0.00 -0.09 -0.04 1.22 1.04 2d33D1 LEU 420 H -0.10 0.50 -0.15 -0.55 8.37 8.07 2d33D1 LEU 420 HA -0.08 0.10 0.48 -0.75 4.35 4.10 2d33D1 LEU 420 HB2 -0.50 0.05 0.11 -0.04 1.64 1.26 2d33D1 LEU 420 HB3 -0.54 -0.09 -0.03 -0.04 1.64 0.93 2d33D1 LEU 420 HG -0.21 0.07 -0.03 -0.04 1.64 1.43 2d33D1 LEU 420 HD13 -0.65 -0.01 -0.10 -0.04 0.93 0.13 2d33D1 LEU 420 HD23 -0.10 0.00 -0.00 -0.04 0.89 0.75 2d33D1 ASP 421 H 0.04 0.66 -0.05 -0.55 8.40 8.51 2d33D1 ASP 421 HA 0.18 -0.03 0.32 -0.75 4.63 4.34 2d33D1 ASP 421 HB2 0.07 0.12 0.17 -0.04 2.71 3.03 2d33D1 ASP 421 HB3 0.08 0.36 0.04 -0.04 2.70 3.14 2d33D1 SER 422 H 0.02 0.41 -0.42 -0.55 8.46 7.93 2d33D1 SER 422 HA 0.02 0.01 0.26 -0.75 4.49 4.02 2d33D1 SER 422 HB2 -0.00 -0.07 0.11 -0.04 3.95 3.94 2d33D1 SER 422 HB3 0.00 0.07 0.12 -0.04 3.93 4.09 2d33D1 ILE 423 H 0.01 0.32 -0.25 -0.55 8.25 7.78 2d33D1 ILE 423 HA -0.00 0.15 0.89 -0.75 4.18 4.46 2d33D1 ILE 423 HB -0.00 -0.08 0.09 -0.04 1.89 1.86 2d33D1 ILE 423 HG12 -0.00 0.11 0.13 -0.04 1.49 1.70 2d33D1 ILE 423 HG13 0.02 -0.00 -0.25 -0.04 1.21 0.94 2d33D1 ILE 423 HG23 -0.03 0.09 -0.09 -0.04 0.93 0.86 2d33D1 ILE 423 HD13 -0.01 0.00 -0.11 -0.04 0.88 0.73 2d33D1 ASN 424 H 0.05 0.31 -0.22 -0.55 8.53 8.12 2d33D1 ASN 424 HA 0.04 0.08 0.75 -0.75 4.76 4.88 2d33D1 ASN 424 HB2 0.14 0.12 0.14 -0.04 2.88 3.23 2d33D1 ASN 424 HB3 0.09 -0.07 0.10 -0.04 2.79 2.87 2d33D1 ASN 424 HD21 0.15 -0.06 0.02 -0.04 7.03 7.10 2d33D1 ASN 424 HD22 0.18 0.27 0.03 -0.04 7.74 8.18 2d33D1 GLY 425 H 0.04 0.22 -0.17 -0.55 8.43 7.97 2d33D1 GLY 425 HA2 0.02 -0.03 0.39 -0.51 4.01 3.89 2d33D1 GLY 425 HA3 0.02 0.05 0.67 -0.51 4.01 4.25 2d33D1 GLY 426 H 0.02 0.09 0.13 -0.55 8.43 8.13 2d33D1 GLY 426 HA2 0.02 0.02 0.32 -0.51 4.01 3.86 2d33D1 GLY 426 HA3 0.03 0.10 0.52 -0.51 4.01 4.14 2d33D1 GLU 427 H 0.03 0.15 0.12 -0.55 8.60 8.35 2d33D1 GLU 427 HA 0.06 0.24 0.88 -0.75 4.29 4.72 2d33D1 ALA 428 H 0.03 0.28 -0.04 -0.55 8.40 8.13 2d33D1 ALA 428 HA -0.00 0.10 0.19 -0.75 4.34 3.87 2d33D1 ALA 428 HB3 -0.09 0.04 0.08 -0.04 1.41 1.39 2d33D1 TYR 429 H 0.14 0.15 -0.08 -0.55 8.29 7.95 2d33D1 TYR 429 HA 0.06 0.10 0.45 -0.75 4.56 4.42 2d33D1 TYR 429 HB2 0.04 0.07 0.10 -0.04 3.06 3.22 2d33D1 TYR 429 HB3 0.04 0.03 -0.01 -0.04 2.98 3.00 2d33D1 TYR 429 HD2 0.04 0.02 -0.07 -0.04 7.15 7.10 2d33D1 TYR 429 HE2 0.05 0.08 0.01 -0.04 6.85 6.94 2d33D1 GLN 430 H 0.15 0.11 -0.29 -0.55 8.47 7.90 2d33D1 GLN 430 HA 0.13 0.07 0.46 -0.75 4.36 4.26 2d33D1 GLN 430 HB2 0.07 0.06 0.04 -0.04 2.15 2.28 2d33D1 GLN 430 HB3 0.07 0.03 0.02 -0.04 2.02 2.10 2d33D1 GLN 430 HG2 0.07 0.08 -0.03 -0.04 2.40 2.48 2d33D1 GLN 430 HG3 0.10 -0.08 -0.20 -0.04 2.39 2.18 2d33D1 GLN 430 HE21 0.04 0.06 0.03 -0.04 6.97 7.06 2d33D1 GLN 430 HE22 0.07 -0.06 0.00 -0.04 7.69 7.67 2d33D1 LYS 431 H 0.07 0.48 -0.22 -0.55 8.42 8.20 2d33D1 LYS 431 HA 0.05 0.03 0.43 -0.75 4.32 4.08 2d33D1 LYS 431 HB2 0.03 0.04 0.10 -0.04 1.87 2.00 2d33D1 LYS 431 HB3 0.03 0.09 0.13 -0.04 1.79 2.00 2d33D1 LYS 431 HG2 0.02 -0.02 -0.01 -0.04 1.46 1.41 2d33D1 LYS 431 HG3 0.03 -0.01 -0.11 -0.04 1.46 1.33 2d33D1 LYS 431 HD2 0.03 -0.03 0.11 -0.04 1.69 1.76 2d33D1 LYS 431 HD3 0.02 0.00 0.01 -0.04 1.68 1.68 2d33D1 LYS 431 HE2 0.01 0.01 -0.01 -0.04 2.99 2.96 2d33D1 LYS 431 HE3 0.02 -0.00 -0.02 -0.04 2.99 2.95 2d33D1 VAL 432 H 0.10 0.40 -0.26 -0.55 8.24 7.92 2d33D1 VAL 432 HA 0.11 0.01 0.39 -0.75 4.13 3.88 2d33D1 VAL 432 HB 0.17 0.18 0.16 -0.04 2.12 2.59 2d33D1 VAL 432 HG13 0.27 -0.01 -0.14 -0.04 0.97 1.04 2d33D1 VAL 432 HG23 0.05 0.01 0.04 -0.04 0.95 1.01 2d33D1 CYS 433 H 0.19 0.44 -0.11 -0.55 8.50 8.47 2d33D1 CYS 433 HA 0.52 0.02 0.43 -0.75 4.58 4.80 2d33D1 CYS 433 HB2 0.17 0.12 0.17 -0.04 2.97 3.39 2d33D1 CYS 433 HB3 0.29 -0.00 -0.03 -0.04 2.97 3.18 2d33D1 ASP 434 H 0.10 0.52 -0.18 -0.55 8.40 8.30 2d33D1 ASP 434 HA 0.03 0.02 0.32 -0.75 4.63 4.25 2d33D1 ASP 434 HB2 0.04 0.09 0.13 -0.04 2.71 2.92 2d33D1 ASP 434 HB3 0.02 -0.03 -0.02 -0.04 2.70 2.63 2d33D1 GLU 435 H 0.05 0.52 -0.16 -0.55 8.60 8.46 2d33D1 GLU 435 HA -0.01 0.03 0.39 -0.75 4.29 3.94 2d33D1 GLU 435 HB2 0.05 0.06 0.14 -0.04 2.09 2.29 2d33D1 GLU 435 HB3 0.01 -0.03 0.01 -0.04 1.99 1.94 2d33D1 GLU 435 HG2 0.01 -0.05 0.02 -0.04 2.34 2.29 2d33D1 GLU 435 HG3 0.03 0.34 0.12 -0.04 2.34 2.80 2d33D1 LEU 436 H 0.01 0.53 -0.16 -0.55 8.37 8.20 2d33D1 LEU 436 HA -0.18 0.11 0.34 -0.75 4.35 3.86 2d33D1 LEU 436 HB2 0.09 0.09 0.09 -0.04 1.64 1.87 2d33D1 LEU 436 HB3 -0.23 -0.03 -0.01 -0.04 1.64 1.33 2d33D1 LEU 436 HG 0.07 0.01 0.00 -0.04 1.64 1.68 2d33D1 LEU 436 HD13 0.12 -0.01 -0.07 -0.04 0.93 0.92 2d33D1 LEU 436 HD23 -0.14 -0.01 -0.08 -0.04 0.89 0.63 2d33D1 VAL 437 H -0.28 0.57 -0.09 -0.55 8.24 7.90 2d33D1 VAL 437 HA -0.51 0.02 0.37 -0.75 4.13 3.27 2d33D1 VAL 437 HB -0.37 0.06 0.11 -0.04 2.12 1.87 2d33D1 VAL 437 HG13 -0.07 0.05 -0.06 -0.04 0.97 0.84 2d33D1 VAL 437 HG23 -0.11 -0.02 -0.02 -0.04 0.95 0.76 2d33D1 ALA 438 H -0.13 0.34 -0.53 -0.55 8.40 7.54 2d33D1 ALA 438 HA -0.05 -0.02 0.36 -0.75 4.34 3.87 2d33D1 ALA 438 HB3 -0.06 0.09 0.09 -0.04 1.41 1.49 2d33D1 CYS 439 H -0.23 0.52 -0.51 -0.55 8.50 7.73 2d33D1 CYS 439 HA -0.17 0.11 0.46 -0.75 4.58 4.23 2d33D1 CYS 439 HB2 -0.52 0.21 0.08 -0.04 2.97 2.70 2d33D1 CYS 439 HB3 -0.42 -0.03 -0.02 -0.04 2.97 2.45 2d33D1 PHE 440 H -0.10 0.47 -0.21 -0.55 8.34 7.94 2d33D1 PHE 440 HA 0.03 0.14 0.68 -0.75 4.62 4.71 2d33D1 PHE 440 HB2 -0.13 0.10 0.12 -0.04 3.15 3.20 2d33D1 PHE 440 HB3 -0.10 -0.06 0.16 -0.04 3.06 3.02 2d33D1 PHE 440 HD2 -0.36 0.03 -0.01 -0.04 7.28 6.90 2d33D1 PHE 440 HE2 -0.32 -0.01 -0.07 -0.04 7.38 6.94 2d33D1 PHE 440 HZ -0.07 -0.02 -0.02 -0.04 7.32 7.18 2d33D1 ASP 441 H 0.01 0.25 -0.28 -0.55 8.40 7.84 2d33D1 ASP 441 HA 0.03 0.11 0.79 -0.75 4.63 4.80 2d33D1 ASP 441 HB2 -0.01 0.09 0.09 -0.04 2.71 2.84 2d33D1 ASP 441 HB3 -0.00 -0.05 0.06 -0.04 2.70 2.67 2d33D1 ASN 442 H -0.03 0.24 -0.36 -0.55 8.53 7.83 2d33D1 ASN 442 HA -0.01 0.18 0.72 -0.75 4.76 4.90 2d33D1 ASN 442 HB2 -0.02 0.05 -0.19 -0.04 2.88 2.68 2d33D1 ASN 442 HB3 -0.04 0.01 0.14 -0.04 2.79 2.86 2d33D1 ASN 442 HD21 -0.02 -0.00 -0.03 -0.04 7.03 6.94 2d33D1 ASN 442 HD22 -0.02 0.01 -0.02 -0.04 7.74 7.67 2d33D1 PRO 443 HA -0.13 0.13 0.47 -0.51 4.44 4.40 2d33D1 PRO 443 HB2 -0.00 0.02 0.11 -0.04 2.28 2.37 2d33D1 PRO 443 HB3 0.09 0.08 0.14 -0.04 2.02 2.30 2d33D1 PRO 443 HG2 0.02 0.00 0.07 -0.04 2.03 2.08 2d33D1 PRO 443 HG3 0.04 0.09 0.02 -0.04 2.03 2.14 2d33D1 PRO 443 HD2 0.01 0.07 0.11 -0.04 3.68 3.83 2d33D1 PRO 443 HD3 0.04 0.20 -0.08 -0.04 3.65 3.77 2d33D1 ASP 444 H -0.02 0.06 -0.47 -0.55 8.40 7.41 2d33D1 ASP 444 HA -0.02 0.12 0.68 -0.75 4.63 4.64 2d33D1 ASP 444 HB2 -0.02 -0.02 0.03 -0.04 2.71 2.67 2d33D1 ASP 444 HB3 -0.02 0.00 0.07 -0.04 2.70 2.71 2d33D1 LEU 445 H -0.08 0.60 -0.14 -0.55 8.37 8.20 2d33D1 LEU 445 HA -0.06 0.08 0.73 -0.75 4.35 4.35 2d33D1 LEU 445 HB2 -0.11 0.16 0.08 -0.04 1.64 1.73 2d33D1 LEU 445 HB3 -0.09 -0.05 -0.02 -0.04 1.64 1.44 2d33D1 LEU 445 HG -0.05 -0.04 -0.02 -0.04 1.64 1.49 2d33D1 LEU 445 HD13 -0.07 0.04 -0.16 -0.04 0.93 0.69 2d33D1 LEU 445 HD23 -0.05 -0.02 0.01 -0.04 0.89 0.79 2d33D1 THR 446 H -0.14 0.30 -0.15 -0.55 8.28 7.73 2d33D1 THR 446 HA -0.20 0.09 0.42 -0.75 4.39 3.95 2d33D1 THR 446 HB -0.37 0.15 0.23 -0.04 4.32 4.29 2d33D1 THR 446 HG23 -0.69 -0.01 0.12 -0.04 1.22 0.59 2d33D1 PHE 447 H 0.06 0.49 0.28 -0.55 8.34 8.62 2d33D1 PHE 447 HA 0.21 -0.01 0.42 -0.75 4.62 4.48 2d33D1 PHE 447 HB2 0.09 0.16 0.05 -0.04 3.15 3.41 2d33D1 PHE 447 HB3 0.14 -0.03 0.00 -0.04 3.06 3.12 2d33D1 PHE 447 HD2 0.12 0.14 0.03 -0.04 7.28 7.54 2d33D1 PHE 447 HE2 0.03 -0.04 -0.01 -0.04 7.38 7.32 2d33D1 PHE 447 HZ 0.00 -0.16 -0.04 -0.04 7.32 7.08 2d33D1 SER 448 H 0.05 0.15 -0.22 -0.55 8.46 7.89 2d33D1 SER 448 HA 0.08 -0.00 0.39 -0.75 4.49 4.21 2d33D1 SER 448 HB2 0.03 0.04 0.10 -0.04 3.95 4.08 2d33D1 SER 448 HB3 0.04 0.18 -0.01 -0.04 3.93 4.10 2d33D1 ALA 449 H -0.01 0.18 -0.15 -0.55 8.40 7.88 2d33D1 ALA 449 HA 0.01 0.07 0.49 -0.75 4.34 4.16 2d33D1 ALA 449 HB3 -0.01 0.05 0.10 -0.04 1.41 1.51 2d33D1 ARG 450 H 0.06 0.47 -0.24 -0.55 8.46 8.20 2d33D1 ARG 450 HA 0.03 -0.00 0.44 -0.75 4.34 4.06 2d33D1 ARG 450 HB2 0.13 0.11 0.11 -0.04 1.90 2.21 2d33D1 ARG 450 HB3 -0.02 -0.10 -0.01 -0.04 1.80 1.63 2d33D1 ARG 450 HG2 -0.10 -0.11 0.02 -0.04 1.67 1.44 2d33D1 ARG 450 HG3 -0.03 0.15 -0.01 -0.04 1.67 1.75 2d33D1 ARG 450 HD2 -0.10 0.00 -0.02 -0.04 3.22 3.06 2d33D1 ARG 450 HD3 -0.01 0.14 -0.24 -0.04 3.22 3.06 2d33D1 ILE 451 H 0.16 0.76 0.01 -0.55 8.25 8.63 2d33D1 ILE 451 HA 0.09 0.02 0.35 -0.75 4.18 3.88 2d33D1 ILE 451 HB -0.12 0.08 0.16 -0.04 1.89 1.97 2d33D1 ILE 451 HG12 -0.32 0.06 0.05 -0.04 1.49 1.24 2d33D1 ILE 451 HG13 -0.17 -0.12 0.05 -0.04 1.21 0.93 2d33D1 ILE 451 HG23 -0.03 0.02 -0.06 -0.04 0.93 0.82 2d33D1 ILE 451 HD13 -0.52 -0.01 0.00 -0.04 0.88 0.32 2d33D1 LEU 452 H 0.02 0.61 -0.32 -0.55 8.37 8.13 2d33D1 LEU 452 HA -0.07 -0.07 0.38 -0.75 4.35 3.83 2d33D1 LEU 452 HB2 -0.02 0.08 0.09 -0.04 1.64 1.75 2d33D1 LEU 452 HB3 -0.03 0.15 0.15 -0.04 1.64 1.86 2d33D1 LEU 452 HG -0.19 -0.07 -0.23 -0.04 1.64 1.11 2d33D1 LEU 452 HD13 -0.31 -0.05 -0.11 -0.04 0.93 0.41 2d33D1 LEU 452 HD23 -0.04 0.01 -0.05 -0.04 0.89 0.77 2d33D1 ARG 453 H -0.01 0.64 -0.09 -0.55 8.46 8.45 2d33D1 ARG 453 HA -0.05 -0.01 0.37 -0.75 4.34 3.90 2d33D1 ARG 453 HB2 0.01 0.15 0.16 -0.04 1.90 2.18 2d33D1 ARG 453 HB3 -0.01 -0.08 0.02 -0.04 1.80 1.69 2d33D1 ARG 453 HG2 -0.02 -0.07 0.05 -0.04 1.67 1.59 2d33D1 ARG 453 HG3 -0.01 0.20 0.09 -0.04 1.67 1.91 2d33D1 ARG 453 HD2 -0.01 -0.06 0.01 -0.04 3.22 3.11 2d33D1 ARG 453 HD3 -0.01 -0.04 0.00 -0.04 3.22 3.13 2d33D1 SER 454 H 0.02 0.39 -0.45 -0.55 8.46 7.87 2d33D1 SER 454 HA 0.02 0.02 0.26 -0.75 4.49 4.03 2d33D1 SER 454 HB2 0.11 -0.02 0.05 -0.04 3.95 4.04 2d33D1 SER 454 HB3 0.08 0.17 0.15 -0.04 3.93 4.29 2d33D1 MET 455 H -0.04 0.60 -0.06 -0.55 8.47 8.43 2d33D1 MET 455 HA -0.02 -0.01 0.38 -0.75 4.52 4.12 2d33D1 MET 455 HB2 -0.08 0.16 0.08 -0.04 2.15 2.27 2d33D1 MET 455 HB3 -0.06 -0.14 -0.17 -0.04 2.03 1.62 2d33D1 MET 455 HG2 -0.03 -0.12 -0.26 -0.04 2.63 2.18 2d33D1 MET 455 HG3 -0.07 0.08 -0.04 -0.04 2.56 2.49 2d33D1 MET 455 HE3 -0.09 0.02 -0.01 -0.04 2.10 1.97 2d33D1 ILE 456 H -0.11 0.82 -0.14 -0.55 8.25 8.26 2d33D1 ILE 456 HA -0.13 -0.03 0.52 -0.75 4.18 3.79 2d33D1 ILE 456 HB -0.11 0.15 0.08 -0.04 1.89 1.97 2d33D1 ILE 456 HG12 -0.52 -0.08 -0.05 -0.04 1.49 0.80 2d33D1 ILE 456 HG13 -0.39 0.04 -0.03 -0.04 1.21 0.79 2d33D1 ILE 456 HG23 -0.07 -0.03 -0.07 -0.04 0.93 0.71 2d33D1 ILE 456 HD13 -0.29 -0.01 -0.10 -0.04 0.88 0.44 2d33D1 ASP 457 H -0.03 0.36 -0.35 -0.55 8.40 7.84 2d33D1 ASP 457 HA -0.02 0.12 0.81 -0.75 4.63 4.80 2d33D1 ASP 457 HB2 -0.01 0.11 0.12 -0.04 2.71 2.89 2d33D1 ASP 457 HB3 -0.00 -0.06 -0.01 -0.04 2.70 2.58 2d33D1 THR 458 H -0.00 0.22 0.01 -0.55 8.28 7.96 2d33D1 THR 458 HA 0.02 0.19 0.94 -0.75 4.39 4.78 2d33D1 THR 458 HB 0.03 -0.08 0.03 -0.04 4.32 4.26 2d33D1 THR 458 HG23 0.01 0.02 -0.15 -0.04 1.22 1.05 2d33D1 GLY 459 H -0.00 0.31 0.17 -0.55 8.43 8.36 2d33D1 GLY 459 HA2 0.00 0.13 0.34 -0.51 4.01 3.98 2d33D1 GLY 459 HA3 0.03 0.09 0.79 -0.51 4.01 4.41 2d33D1 ILE 460 H 0.02 0.16 0.07 -0.55 8.25 7.96 2d33D1 ILE 460 HA 0.03 0.13 0.48 -0.75 4.18 4.07 2d33D1 ILE 460 HB 0.05 -0.11 0.06 -0.04 1.89 1.86 2d33D1 ILE 460 HG12 0.03 0.05 -0.07 -0.04 1.49 1.47 2d33D1 ILE 460 HG13 0.04 -0.06 -0.03 -0.04 1.21 1.13 2d33D1 ILE 460 HG23 0.26 0.04 -0.22 -0.04 0.93 0.97 2d33D1 ILE 460 HD13 0.07 0.02 -0.33 -0.04 0.88 0.60 2d33D1 GLY 461 H 0.02 0.08 -0.09 -0.55 8.43 7.89 2d33D1 GLY 461 HA2 0.47 0.08 0.24 -0.51 4.01 4.29 2d33D1 GLY 461 HA3 0.12 0.06 0.25 -0.51 4.01 3.93 2d33D1 GLY 462 H 0.12 0.12 -0.27 -0.55 8.43 7.86 2d33D1 GLY 462 HA2 0.12 0.02 0.32 -0.51 4.01 3.96 2d33D1 GLY 462 HA3 0.08 0.15 0.14 -0.51 4.01 3.87 2d33D1 THR 463 H 0.05 0.62 -0.29 -0.55 8.28 8.11 2d33D1 THR 463 HA 0.10 -0.02 0.35 -0.75 4.39 4.07 2d33D1 THR 463 HB -0.06 0.07 0.13 -0.04 4.32 4.42 2d33D1 THR 463 HG23 -0.03 -0.01 -0.11 -0.04 1.22 1.03 2d33D1 GLY 464 H -0.11 0.84 0.02 -0.55 8.43 8.63 2d33D1 GLY 464 HA2 -0.79 0.00 0.45 -0.51 4.01 3.16 2d33D1 GLY 464 HA3 -1.35 0.02 0.29 -0.51 4.01 2.47 2d33D1 LYS 465 H 0.17 0.74 -0.10 -0.55 8.42 8.67 2d33D1 LYS 465 HA 0.19 0.01 0.36 -0.75 4.32 4.13 2d33D1 LYS 465 HB2 0.15 0.06 0.11 -0.04 1.87 2.14 2d33D1 LYS 465 HB3 0.12 -0.03 0.02 -0.04 1.79 1.86 2d33D1 LYS 465 HG2 0.38 -0.03 -0.09 -0.04 1.46 1.69 2d33D1 LYS 465 HG3 0.52 0.11 0.02 -0.04 1.46 2.07 2d33D1 LYS 465 HD2 0.09 0.05 -0.06 -0.04 1.69 1.72 2d33D1 LYS 465 HD3 0.07 0.10 -0.42 -0.04 1.68 1.39 2d33D1 LYS 465 HE2 0.41 -0.14 -0.24 -0.04 2.99 2.98 2d33D1 LYS 465 HE3 0.18 0.01 -0.14 -0.04 2.99 3.00 2d33D1 ALA 466 H 0.03 0.59 -0.07 -0.55 8.40 8.41 2d33D1 ALA 466 HA -0.06 -0.03 0.41 -0.75 4.34 3.90 2d33D1 ALA 466 HB3 -0.08 0.00 0.11 -0.04 1.41 1.40 2d33D1 PHE 467 H 0.12 0.69 -0.00 -0.55 8.34 8.60 2d33D1 PHE 467 HA -0.48 -0.05 0.46 -0.75 4.62 3.80 2d33D1 PHE 467 HB2 -0.37 0.12 0.20 -0.04 3.15 3.05 2d33D1 PHE 467 HB3 -0.55 0.02 0.01 -0.04 3.06 2.51 2d33D1 PHE 467 HD2 -0.37 0.22 0.08 -0.04 7.28 7.17 2d33D1 PHE 467 HE2 -0.02 -0.07 -0.04 -0.04 7.38 7.21 2d33D1 PHE 467 HZ 0.07 -0.05 -0.06 -0.04 7.32 7.23 2d33D1 ALA 468 H -0.07 0.69 -0.10 -0.55 8.40 8.37 2d33D1 ALA 468 HA 0.07 0.06 0.33 -0.75 4.34 4.04 2d33D1 ALA 468 HB3 0.08 -0.01 0.06 -0.04 1.41 1.49 2d33D1 GLU 469 H -0.02 0.64 -0.13 -0.55 8.60 8.54 2d33D1 GLU 469 HA 0.02 0.01 0.54 -0.75 4.29 4.10 2d33D1 GLU 469 HB2 0.00 -0.01 0.12 -0.04 2.09 2.17 2d33D1 GLU 469 HB3 -0.05 0.15 0.20 -0.04 1.99 2.25 2d33D1 GLU 469 HG2 -0.03 -0.04 -0.02 -0.04 2.34 2.21 2d33D1 GLU 469 HG3 -0.03 -0.02 -0.31 -0.04 2.34 1.94 2d33D1 ALA 470 H -0.17 0.59 -0.03 -0.55 8.40 8.24 2d33D1 ALA 470 HA -0.06 -0.05 0.40 -0.75 4.34 3.88 2d33D1 ALA 470 HB3 -0.25 0.01 0.13 -0.04 1.41 1.25 2d33D1 TYR 471 H -0.11 0.78 -0.09 -0.55 8.29 8.32 2d33D1 TYR 471 HA -0.00 -0.06 0.39 -0.75 4.56 4.14 2d33D1 TYR 471 HB2 0.04 0.13 0.11 -0.04 3.06 3.30 2d33D1 TYR 471 HB3 0.03 -0.04 0.06 -0.04 2.98 2.99 2d33D1 TYR 471 HD2 0.02 -0.00 -0.10 -0.04 7.15 7.02 2d33D1 TYR 471 HE2 0.03 0.07 -0.12 -0.04 6.85 6.79 2d33D1 ARG 472 H 0.11 0.67 -0.08 -0.55 8.46 8.60 2d33D1 ARG 472 HA 0.07 0.01 0.55 -0.75 4.34 4.22 2d33D1 ARG 472 HB2 0.07 0.01 0.19 -0.04 1.90 2.13 2d33D1 ARG 472 HB3 0.04 0.09 0.27 -0.04 1.80 2.16 2d33D1 ARG 472 HG2 0.02 -0.06 -0.25 -0.04 1.67 1.34 2d33D1 ARG 472 HG3 0.03 0.06 0.04 -0.04 1.67 1.76 2d33D1 ARG 472 HD2 0.03 0.12 -0.09 -0.04 3.22 3.24 2d33D1 ARG 472 HD3 0.03 -0.05 -0.00 -0.04 3.22 3.15 2d33D1 ASN 473 H 0.02 0.58 -0.02 -0.55 8.53 8.56 2d33D1 ASN 473 HA 0.01 0.00 0.40 -0.75 4.76 4.42 2d33D1 ASN 473 HB2 0.00 0.05 0.14 -0.04 2.88 3.03 2d33D1 ASN 473 HB3 -0.00 -0.08 0.04 -0.04 2.79 2.71 2d33D1 ASN 473 HD21 -0.02 -0.06 -0.02 -0.04 7.03 6.89 2d33D1 ASN 473 HD22 -0.02 -0.05 -0.00 -0.04 7.74 7.63 2d33D1 LEU 474 H 0.05 0.71 -0.03 -0.55 8.37 8.56 2d33D1 LEU 474 HA 0.02 -0.06 0.43 -0.75 4.35 3.99 2d33D1 LEU 474 HB2 0.07 -0.02 0.13 -0.04 1.64 1.77 2d33D1 LEU 474 HB3 0.11 0.10 0.21 -0.04 1.64 2.02 2d33D1 LEU 474 HG 0.01 0.02 -0.30 -0.04 1.64 1.33 2d33D1 LEU 474 HD13 0.01 -0.03 0.02 -0.04 0.93 0.89 2d33D1 LEU 474 HD23 0.04 -0.02 -0.02 -0.04 0.89 0.86 2d33D1 LEU 475 H 0.05 0.88 -0.04 -0.55 8.37 8.72 2d33D1 LEU 475 HA -0.01 -0.08 0.27 -0.75 4.35 3.78 2d33D1 LEU 475 HB2 0.04 0.20 0.14 -0.04 1.64 1.97 2d33D1 LEU 475 HB3 0.01 -0.05 -0.04 -0.04 1.64 1.52 2d33D1 LEU 475 HG -0.01 -0.05 0.03 -0.04 1.64 1.57 2d33D1 LEU 475 HD13 0.06 0.02 -0.13 -0.04 0.93 0.85 2d33D1 LEU 475 HD23 -0.05 -0.05 -0.08 -0.04 0.89 0.67 2d33D1 ARG 476 H 0.01 0.55 -0.25 -0.55 8.46 8.22 2d33D1 ARG 476 HA -0.03 0.09 0.58 -0.75 4.34 4.23 2d33D1 ARG 476 HB2 -0.01 0.03 0.09 -0.04 1.90 1.97 2d33D1 ARG 476 HB3 -0.02 -0.12 0.04 -0.04 1.80 1.66 2d33D1 ARG 476 HG2 -0.03 -0.07 -0.28 -0.04 1.67 1.25 2d33D1 ARG 476 HG3 0.00 0.22 0.01 -0.04 1.67 1.86 2d33D1 ARG 476 HD2 -0.03 -0.11 0.00 -0.04 3.22 3.04 2d33D1 ARG 476 HD3 -0.01 0.16 -0.01 -0.04 3.22 3.32 2d33D1 GLU 477 H -0.00 0.43 -0.15 -0.55 8.60 8.32 2d33D1 GLU 477 HA -0.01 0.07 0.71 -0.75 4.29 4.30 2d33D1 GLU 477 HB2 -0.00 0.13 0.13 -0.04 2.09 2.30 2d33D1 GLU 477 HB3 -0.01 -0.11 0.06 -0.04 1.99 1.88 2d33D1 GLU 478 H -0.01 0.28 -0.17 -0.55 8.60 8.16 2d33D1 GLU 478 HA -0.01 0.01 0.51 -0.75 4.29 4.04 2d33D1 GLU 478 HB2 -0.02 0.07 0.08 -0.04 2.09 2.19 2d33D1 GLU 478 HB3 -0.02 0.03 -0.04 -0.04 1.99 1.91 2d33D1 GLU 478 HG2 -0.02 -0.06 0.02 -0.04 2.34 2.24 2d33D1 GLU 478 HG3 -0.01 0.14 0.02 -0.04 2.34 2.44 2d33D1 PRO 479 HA -0.00 0.10 0.69 -0.51 4.44 4.73 2d33D1 PRO 479 HB2 -0.00 0.11 0.00 -0.04 2.28 2.34 2d33D1 PRO 479 HB3 0.00 -0.03 0.13 -0.04 2.02 2.08 2d33D1 PRO 479 HG2 -0.01 -0.03 0.07 -0.04 2.03 2.02 2d33D1 PRO 479 HG3 -0.00 0.02 0.10 -0.04 2.03 2.11 2d33D1 PRO 479 HD2 -0.01 0.01 0.19 -0.04 3.68 3.83 2d33D1 PRO 479 HD3 -0.01 0.18 0.26 -0.04 3.65 4.04 2d33D1 LEU 480 H 0.01 0.05 0.16 -0.55 8.37 8.05 2d33D1 LEU 480 HA -0.01 0.05 0.56 -0.75 4.35 4.19 2d33D1 LEU 480 HB2 0.03 -0.10 0.09 -0.04 1.64 1.62 2d33D1 LEU 480 HB3 0.03 0.21 0.11 -0.04 1.64 1.95 2d33D1 LEU 480 HG 0.05 0.03 0.10 -0.04 1.64 1.78 2d33D1 LEU 480 HD13 0.15 -0.03 -0.06 -0.04 0.93 0.95 2d33D1 LEU 480 HD23 0.05 0.02 0.01 -0.04 0.89 0.93 2d33D1 GLU 481 H -0.06 -0.03 0.17 -0.55 8.60 8.13 2d33D1 GLU 481 HA -0.02 0.29 1.02 -0.75 4.29 4.83 2d33D1 GLU 481 HB2 -0.06 -0.08 0.08 -0.04 2.09 1.99 2d33D1 GLU 481 HB3 -0.03 -0.02 -0.02 -0.04 1.99 1.87 2d33D1 GLU 481 HG2 -0.02 0.04 -0.14 -0.04 2.34 2.18 2d33D1 GLU 481 HG3 -0.03 0.15 -0.27 -0.04 2.34 2.15 2d33D1 ILE 482 H -0.13 -0.01 0.14 -0.55 8.25 7.70 2d33D1 ILE 482 HA -0.04 0.24 0.85 -0.75 4.18 4.46 2d33D1 ILE 482 HB -0.24 -0.04 0.09 -0.04 1.89 1.66 2d33D1 ILE 482 HG12 -0.03 0.06 -0.09 -0.04 1.49 1.38 2d33D1 ILE 482 HG13 -0.11 -0.08 -0.12 -0.04 1.21 0.85 2d33D1 ILE 482 HG23 0.01 0.01 -0.10 -0.04 0.93 0.80 2d33D1 ILE 482 HD13 -0.43 -0.01 -0.02 -0.04 0.88 0.38 2d33D1 LEU 483 H -0.27 0.02 0.12 -0.55 8.37 7.69 2d33D1 LEU 483 HA -0.23 0.12 0.77 -0.75 4.35 4.25 2d33D1 LEU 483 HB2 -0.32 -0.02 0.09 -0.04 1.64 1.34 2d33D1 LEU 483 HB3 -0.67 0.04 -0.05 -0.04 1.64 0.92 2d33D1 LEU 483 HG -0.89 -0.10 -0.02 -0.04 1.64 0.60 2d33D1 LEU 483 HD13 -1.71 0.03 -0.04 -0.04 0.93 -0.84 2d33D1 LEU 483 HD23 -0.71 0.02 -0.03 -0.04 0.89 0.13 2d33D1 ARG 484 H -0.06 0.11 0.13 -0.55 8.46 8.08 2d33D1 ARG 484 HA 0.04 0.30 0.82 -0.75 4.34 4.75 2d33D1 ARG 484 HB2 0.02 -0.09 0.08 -0.04 1.90 1.86 2d33D1 ARG 484 HB3 0.04 -0.03 0.13 -0.04 1.80 1.90 2d33D1 ARG 484 HG2 0.01 0.10 -0.08 -0.04 1.67 1.65 2d33D1 ARG 484 HG3 -0.01 0.05 -0.23 -0.04 1.67 1.44 2d33D1 ARG 484 HD2 0.01 0.01 -0.01 -0.04 3.22 3.19 2d33D1 ARG 484 HD3 0.01 0.09 -0.03 -0.04 3.22 3.24 2d33D1 GLU 485 H 0.10 0.26 0.15 -0.55 8.60 8.56 2d33D1 GLU 485 HA 0.18 0.15 0.39 -0.75 4.29 4.26 2d33D1 GLU 485 HB2 0.16 0.12 0.15 -0.04 2.09 2.48 2d33D1 GLU 485 HB3 0.10 -0.04 0.15 -0.04 1.99 2.17 2d33D1 GLU 485 HG2 0.13 -0.05 -0.22 -0.04 2.34 2.16 2d33D1 GLU 485 HG3 0.27 0.02 0.05 -0.04 2.34 2.64 2d33D1 GLU 486 H 0.07 0.08 -0.33 -0.55 8.60 7.88 2d33D1 GLU 486 HA 0.08 0.10 0.42 -0.75 4.29 4.13 2d33D1 GLU 486 HB2 0.04 0.01 0.03 -0.04 2.09 2.12 2d33D1 GLU 486 HB3 0.04 0.04 0.07 -0.04 1.99 2.10 2d33D1 GLU 486 HG2 0.04 0.06 0.02 -0.04 2.34 2.42 2d33D1 GLU 486 HG3 0.06 0.03 -0.01 -0.04 2.34 2.37 2d33D1 ASP 487 H 0.03 0.42 -0.26 -0.55 8.40 8.04 2d33D1 ASP 487 HA 0.04 0.08 0.60 -0.75 4.63 4.59 2d33D1 ASP 487 HB2 -0.22 0.12 0.14 -0.04 2.71 2.72 2d33D1 ASP 487 HB3 -0.03 0.04 0.07 -0.04 2.70 2.74 2d33D1 PHE 488 H 0.10 0.35 -0.18 -0.55 8.34 8.06 2d33D1 PHE 488 HA 0.15 0.05 0.42 -0.75 4.62 4.49 2d33D1 PHE 488 HB2 -0.60 0.14 0.14 -0.04 3.15 2.79 2d33D1 PHE 488 HB3 -0.48 0.09 -0.01 -0.04 3.06 2.61 2d33D1 PHE 488 HD2 -0.20 0.04 -0.11 -0.04 7.28 6.97 2d33D1 PHE 488 HE2 -0.06 0.02 -0.14 -0.04 7.38 7.16 2d33D1 PHE 488 HZ -0.23 -0.01 -0.33 -0.04 7.32 6.71 2d33D1 VAL 489 H 0.14 0.34 -0.11 -0.55 8.24 8.05 2d33D1 VAL 489 HA 0.14 0.11 0.51 -0.75 4.13 4.14 2d33D1 VAL 489 HB 0.09 -0.01 0.16 -0.04 2.12 2.32 2d33D1 VAL 489 HG13 0.07 -0.01 -0.07 -0.04 0.97 0.92 2d33D1 VAL 489 HG23 0.14 0.04 0.02 -0.04 0.95 1.12 2d33D1 ALA 490 H 0.05 0.54 -0.08 -0.55 8.40 8.37 2d33D1 ALA 490 HA 0.02 -0.01 0.40 -0.75 4.34 4.00 2d33D1 ALA 490 HB3 0.01 0.02 0.13 -0.04 1.41 1.54 2d33D1 GLU 491 H -0.02 0.54 -0.25 -0.55 8.60 8.33 2d33D1 GLU 491 HA -0.25 -0.03 0.40 -0.75 4.29 3.66 2d33D1 GLU 491 HB2 -0.50 0.01 0.12 -0.04 2.09 1.68 2d33D1 GLU 491 HB3 -0.23 0.10 0.15 -0.04 1.99 1.97 2d33D1 GLU 491 HG2 -1.87 -0.03 0.06 -0.04 2.34 0.46 2d33D1 GLU 491 HG3 -1.48 0.06 -0.06 -0.04 2.34 0.83 2d33D1 ARG 492 H 0.09 0.81 -0.07 -0.55 8.46 8.74 2d33D1 ARG 492 HA 0.18 0.02 0.39 -0.75 4.34 4.18 2d33D1 ARG 492 HB2 0.21 0.25 0.13 -0.04 1.90 2.44 2d33D1 ARG 492 HB3 0.12 0.03 0.27 -0.04 1.80 2.18 2d33D1 ARG 492 HG2 0.09 -0.14 -0.22 -0.04 1.67 1.37 2d33D1 ARG 492 HG3 0.13 0.02 -0.11 -0.04 1.67 1.67 2d33D1 ARG 492 HD2 0.13 0.05 0.05 -0.04 3.22 3.41 2d33D1 ARG 492 HD3 0.10 -0.07 0.02 -0.04 3.22 3.23 2d33D1 GLU 493 H 0.04 0.67 -0.05 -0.55 8.60 8.71 2d33D1 GLU 493 HA 0.03 -0.04 0.36 -0.75 4.29 3.88 2d33D1 GLU 493 HB2 0.02 0.11 0.15 -0.04 2.09 2.33 2d33D1 GLU 493 HB3 0.02 -0.07 0.05 -0.04 1.99 1.95 2d33D1 GLU 493 HG2 0.03 -0.05 0.03 -0.04 2.34 2.31 2d33D1 GLU 493 HG3 0.05 0.09 0.08 -0.04 2.34 2.52 2d33D1 ALA 494 H -0.04 0.78 0.00 -0.55 8.40 8.59 2d33D1 ALA 494 HA -0.03 -0.01 0.50 -0.75 4.34 4.05 2d33D1 ALA 494 HB3 -0.09 0.00 0.10 -0.04 1.41 1.38 2d33D1 SER 495 H -0.06 0.69 -0.16 -0.55 8.46 8.38 2d33D1 SER 495 HA -0.04 0.07 0.41 -0.75 4.49 4.17 2d33D1 SER 495 HB2 0.04 -0.05 0.05 -0.04 3.95 3.94 2d33D1 SER 495 HB3 -0.14 0.08 0.14 -0.04 3.93 3.97 2d33D1 GLU 496 H 0.03 0.73 0.08 -0.55 8.60 8.89 2d33D1 GLU 496 HA 0.05 -0.04 0.49 -0.75 4.29 4.03 2d33D1 GLU 496 HB2 0.04 0.15 0.18 -0.04 2.09 2.41 2d33D1 GLU 496 HB3 0.03 -0.03 0.02 -0.04 1.99 1.96 2d33D1 GLU 496 HG2 0.05 -0.04 0.01 -0.04 2.34 2.33 2d33D1 GLU 496 HG3 0.07 -0.09 0.03 -0.04 2.34 2.31 2d33D1 ARG 497 H 0.01 0.57 -0.21 -0.55 8.46 8.27 2d33D1 ARG 497 HA 0.01 -0.02 0.46 -0.75 4.34 4.04 2d33D1 ARG 497 HB2 0.00 0.18 0.17 -0.04 1.90 2.21 2d33D1 ARG 497 HB3 -0.01 0.11 0.09 -0.04 1.80 1.95 2d33D1 ARG 497 HG2 0.00 -0.08 0.08 -0.04 1.67 1.63 2d33D1 ARG 497 HG3 0.00 -0.02 0.03 -0.04 1.67 1.65 2d33D1 ARG 497 HD2 -0.00 -0.03 -0.01 -0.04 3.22 3.14 2d33D1 ARG 497 HD3 -0.01 0.04 -0.01 -0.04 3.22 3.21 2d33D1 ARG 498 H -0.01 0.51 -0.18 -0.55 8.46 8.23 2d33D1 ARG 498 HA -0.00 0.00 0.42 -0.75 4.34 4.00 2d33D1 ARG 498 HB2 -0.01 0.10 0.19 -0.04 1.90 2.14 2d33D1 ARG 498 HB3 -0.00 -0.05 -0.01 -0.04 1.80 1.70 2d33D1 ARG 498 HG2 -0.02 -0.08 0.04 -0.04 1.67 1.57 2d33D1 ARG 498 HG3 -0.03 0.17 0.08 -0.04 1.67 1.85 2d33D1 ARG 498 HD2 -0.04 0.07 -0.01 -0.04 3.22 3.19 2d33D1 ARG 498 HD3 -0.03 -0.04 -0.00 -0.04 3.22 3.10 2d33D1 GLN 499 H 0.02 0.53 -0.13 -0.55 8.47 8.34 2d33D1 GLN 499 HA 0.02 0.02 0.56 -0.75 4.36 4.21 2d33D1 GLN 499 HB2 0.05 -0.00 0.12 -0.04 2.15 2.27 2d33D1 GLN 499 HB3 0.03 0.14 0.18 -0.04 2.02 2.33 2d33D1 GLN 499 HG2 0.03 -0.04 -0.17 -0.04 2.40 2.18 2d33D1 GLN 499 HG3 0.04 -0.03 0.03 -0.04 2.39 2.40 2d33D1 GLN 499 HE21 0.05 0.02 -0.13 -0.04 6.97 6.86 2d33D1 GLN 499 HE22 0.03 -0.10 -0.05 -0.04 7.69 7.52 2d33D1 GLN 500 H 0.01 0.62 -0.01 -0.55 8.47 8.55 2d33D1 GLN 500 HA 0.00 -0.03 0.44 -0.75 4.36 4.02 2d33D1 GLN 500 HB2 0.01 0.10 0.19 -0.04 2.15 2.41 2d33D1 GLN 500 HB3 0.00 -0.03 0.02 -0.04 2.02 1.97 2d33D1 GLN 500 HG2 0.01 -0.04 0.05 -0.04 2.40 2.37 2d33D1 GLN 500 HG3 0.01 -0.04 0.07 -0.04 2.39 2.40 2d33D1 GLN 500 HE21 0.01 -0.01 -0.02 -0.04 6.97 6.91 2d33D1 GLN 500 HE22 0.01 -0.02 -0.00 -0.04 7.69 7.63 2d33D1 GLU 501 H 0.00 0.63 -0.18 -0.55 8.60 8.51 2d33D1 GLU 501 HA 0.00 0.01 0.41 -0.75 4.29 3.96 2d33D1 GLU 501 HB2 0.00 -0.02 0.10 -0.04 2.09 2.13 2d33D1 GLU 501 HB3 0.00 0.14 0.17 -0.04 1.99 2.25 2d33D1 GLU 501 HG2 0.00 0.02 -0.21 -0.04 2.34 2.11 2d33D1 GLU 501 HG3 0.00 -0.06 0.03 -0.04 2.34 2.27 2d33D1 MET 502 H 0.00 0.47 -0.18 -0.55 8.47 8.21 2d33D1 MET 502 HA -0.00 0.01 0.50 -0.75 4.52 4.28 2d33D1 MET 502 HB2 0.00 0.08 0.18 -0.04 2.15 2.37 2d33D1 MET 502 HB3 -0.00 -0.16 0.09 -0.04 2.03 1.91 2d33D1 MET 502 HG2 0.02 -0.07 0.05 -0.04 2.63 2.59 2d33D1 MET 502 HG3 0.01 0.27 0.15 -0.04 2.56 2.94 2d33D1 MET 502 HE3 0.04 -0.03 -0.01 -0.04 2.10 2.05 2d33D1 GLU 503 H -0.01 0.55 -0.12 -0.55 8.60 8.47 2d33D1 GLU 503 HA -0.03 -0.08 0.43 -0.75 4.29 3.85 2d33D1 GLU 503 HB2 -0.01 0.12 0.21 -0.04 2.09 2.38 2d33D1 GLU 503 HB3 -0.02 -0.01 0.03 -0.04 1.99 1.96 2d33D1 GLU 503 HG2 -0.02 -0.16 0.08 -0.04 2.34 2.20 2d33D1 GLU 503 HG3 -0.01 0.04 0.06 -0.04 2.34 2.39 2d33D1 ALA 504 H -0.01 0.45 -0.16 -0.55 8.40 8.13 2d33D1 ALA 504 HA -0.01 0.07 0.50 -0.75 4.34 4.14 2d33D1 ALA 504 HB3 -0.00 -0.03 0.07 -0.04 1.41 1.40 2d33D1 ALA 505 H -0.01 0.32 -0.19 -0.55 8.40 7.97 2d33D1 ALA 505 HA -0.00 -0.04 0.50 -0.75 4.34 4.05 2d33D1 ALA 505 HB3 -0.00 0.03 0.06 -0.04 1.41 1.46 2d33D1 ASP 506 H 0.00 0.10 0.09 -0.55 8.40 8.04 2d33D1 ASP 506 HA -0.01 0.21 0.84 -0.75 4.63 4.92 2d33D1 ASP 506 HB2 0.01 -0.06 0.22 -0.04 2.71 2.83 2d33D1 ASP 506 HB3 0.01 -0.00 0.11 -0.04 2.70 2.78 2d33D1 THR 507 H -0.02 0.32 -0.03 -0.55 8.28 8.01 2d33D1 THR 507 HA 0.02 0.10 0.56 -0.75 4.39 4.31 2d33D1 THR 507 HB -0.12 0.00 0.09 -0.04 4.32 4.26 2d33D1 THR 507 HG23 -0.03 -0.03 -0.07 -0.04 1.22 1.05 2d33D1 GLU 508 H 0.09 0.06 0.14 -0.55 8.60 8.34 2d33D1 GLU 508 HA 0.07 0.11 0.49 -0.75 4.29 4.20 2d33D1 GLU 508 HB2 0.25 -0.02 -0.00 -0.04 2.09 2.28 2d33D1 GLU 508 HB3 0.12 0.00 0.12 -0.04 1.99 2.20 2d33D1 GLU 508 HG2 0.14 0.03 0.03 -0.04 2.34 2.49 2d33D1 GLU 508 HG3 0.10 0.04 0.07 -0.04 2.34 2.50 2d33D1 PRO 509 HA 0.09 0.10 0.57 -0.51 4.44 4.69 2d33D1 PRO 509 HB2 0.09 -0.16 0.06 -0.04 2.28 2.23 2d33D1 PRO 509 HB3 0.08 0.06 0.12 -0.04 2.02 2.24 2d33D1 PRO 509 HG2 0.06 0.04 0.11 -0.04 2.03 2.20 2d33D1 PRO 509 HG3 0.05 0.11 0.12 -0.04 2.03 2.26 2d33D1 PRO 509 HD2 0.08 0.07 0.24 -0.04 3.68 4.02 2d33D1 PRO 509 HD3 0.05 0.24 0.20 -0.04 3.65 4.10 2d33D1 PHE 510 H 0.23 0.19 0.18 -0.55 8.34 8.39 2d33D1 PHE 510 HA 0.10 0.11 0.28 -0.75 4.62 4.34 2d33D1 PHE 510 HB2 -0.01 0.05 0.17 -0.04 3.15 3.32 2d33D1 PHE 510 HB3 0.05 -0.01 0.11 -0.04 3.06 3.16 2d33D1 PHE 510 HD2 -0.07 -0.02 -0.03 -0.04 7.28 7.12 2d33D1 PHE 510 HE2 -0.04 0.11 0.00 -0.04 7.38 7.41 2d33D1 PHE 510 HZ 0.21 0.03 -0.15 -0.04 7.32 7.37 2d33D1 ALA 511 H 0.17 0.08 -0.14 -0.55 8.40 7.95 2d33D1 ALA 511 HA 0.02 0.13 0.29 -0.75 4.34 4.03 2d33D1 ALA 511 HB3 0.07 0.01 0.05 -0.04 1.41 1.51 2d33D1 VAL 512 H 0.08 0.06 -0.24 -0.55 8.24 7.59 2d33D1 VAL 512 HA 0.02 0.06 0.49 -0.75 4.13 3.95 2d33D1 VAL 512 HB 0.09 0.03 0.12 -0.04 2.12 2.31 2d33D1 VAL 512 HG13 0.07 0.01 -0.14 -0.04 0.97 0.87 2d33D1 VAL 512 HG23 0.04 -0.00 0.02 -0.04 0.95 0.97 2d33D1 TRP 513 H 0.24 0.66 -0.10 -0.55 7.97 8.22 2d33D1 TRP 513 HA -0.06 -0.02 0.30 -0.75 4.62 4.09 2d33D1 TRP 513 HB2 -0.04 0.02 -0.12 -0.04 3.23 3.06 2d33D1 TRP 513 HB3 -0.25 0.15 0.04 -0.04 3.23 3.13 2d33D1 TRP 513 HD1 -0.01 -0.06 -0.01 -0.04 7.22 7.10 2d33D1 TRP 513 HE1 0.01 -0.02 -0.03 -0.04 10.20 10.12 2d33D1 TRP 513 HE3 -0.59 0.08 -0.21 -0.04 7.59 6.83 2d33D1 TRP 513 HZ2 0.01 -0.03 -0.09 -0.04 7.44 7.28 2d33D1 TRP 513 HZ3 -0.37 0.03 -0.10 -0.04 7.13 6.65 2d33D1 TRP 513 HH2 -0.42 -0.00 -0.16 -0.04 7.19 6.56 2d33D1 LEU 514 H -0.03 0.51 -0.34 -0.55 8.37 7.97 2d33D1 LEU 514 HA -0.33 0.00 0.38 -0.75 4.35 3.65 2d33D1 LEU 514 HB2 -0.09 0.12 0.20 -0.04 1.64 1.83 2d33D1 LEU 514 HB3 -0.05 0.02 0.01 -0.04 1.64 1.57 2d33D1 LEU 514 HG -0.60 0.04 -0.00 -0.04 1.64 1.03 2d33D1 LEU 514 HD13 0.02 -0.00 0.00 -0.04 0.93 0.91 2d33D1 LEU 514 HD23 0.11 -0.01 -0.00 -0.04 0.89 0.95 2d33D1 GLU 515 H -0.06 0.42 0.06 -0.55 8.60 8.47 2d33D1 GLU 515 HA -0.05 -0.00 0.45 -0.75 4.29 3.93 2d33D1 GLU 515 HB2 -0.03 0.05 0.22 -0.04 2.09 2.30 2d33D1 GLU 515 HB3 -0.04 0.04 0.08 -0.04 1.99 2.03 2d33D1 LYS 516 H -0.16 0.46 -0.49 -0.55 8.42 7.68 2d33D1 LYS 516 HA -0.13 -0.03 0.30 -0.75 4.32 3.71 2d33D1 LYS 516 HB2 -0.14 0.05 0.02 -0.04 1.87 1.76 2d33D1 LYS 516 HB3 -0.33 0.03 0.01 -0.04 1.79 1.47 2d33D1 HIS 517 H -0.23 0.72 -0.45 -0.55 8.41 7.91 2d33D1 HIS 517 HA -0.42 0.12 0.57 -0.75 4.63 4.14 2d33D1 HIS 517 HB2 -0.51 0.27 0.17 -0.04 3.26 3.15 2d33D1 HIS 517 HB3 -0.31 -0.09 0.08 -0.04 3.20 2.84 2d33D1 HIS 517 HD2 -0.54 -0.06 -0.01 -0.04 6.97 6.32 2d33D1 HIS 517 HE1 -0.69 -0.10 -0.06 -0.04 7.75 6.86