============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. PHE 6 1.000 52.739 39.284 19.176 -99.200 -91.000 HIS 13 0.900 55.929 31.367 6.581 -99.200 -91.000 TYR 14 0.840 61.717 38.742 5.330 -99.200 -91.000 TYR 18 0.840 60.351 37.656 1.806 -99.200 -91.000 PHE 19 1.000 66.814 37.159 5.278 -99.200 -91.000 HIS 23 0.900 66.113 40.582 0.027 -99.200 -91.000 TYR 42 0.840 71.227 59.412 -11.297 -99.200 -91.000 HIS 48 0.900 83.853 68.935 -6.599 -99.200 -91.000 PHE 67 1.000 71.968 68.090 17.315 -99.200 -91.000 PHE 72 1.000 59.364 73.596 18.634 -99.200 -91.000 TYR 77 0.840 64.633 84.761 13.852 -99.200 -91.000 PHE 89 1.000 69.417 74.205 -10.022 -99.200 -91.000 PHE 92 1.000 58.260 74.257 -9.125 -99.200 -91.000 TRP 102 1.040 59.267 57.629 3.196 -99.200 -91.000 TRP6 102 1.020 58.733 55.683 1.959 -99.200 -91.000 TYR 120 0.840 42.457 61.417 -10.470 -99.200 -91.000 PHE 123 1.000 48.573 50.415 -11.563 -99.200 -91.000 PHE 124 1.000 55.548 50.302 -13.653 -99.200 -91.000 HIS 126 0.900 60.427 56.193 -4.044 -99.200 -91.000 TRP 130 1.040 52.193 53.936 -5.541 -99.200 -91.000 TRP6 130 1.020 50.047 53.125 -6.093 -99.200 -91.000 TYR 135 0.840 52.595 56.295 5.355 -99.200 -91.000 HIS 141 0.900 40.518 57.413 -7.620 -99.200 -91.000 PHE 143 1.000 48.716 58.132 -14.400 -99.200 -91.000 HIS 145 0.900 55.583 54.088 -16.541 -99.200 -91.000 HIS 150 0.900 43.849 53.623 -16.533 -99.200 -91.000 HIS 158 0.900 36.836 57.533 -9.421 -99.200 -91.000 TYR 169 0.840 57.455 57.140 -13.683 -99.200 -91.000 PHE 188 1.000 39.949 66.242 -17.604 -99.200 -91.000 HIS 198 0.900 65.909 58.396 -9.575 -99.200 -91.000 HIS 203 0.900 67.702 64.348 -17.410 -99.200 -91.000 HIS 221 0.900 48.684 73.549 -9.440 -99.200 -91.000 PHE 222 1.000 51.586 71.563 -4.446 -99.200 -91.000 PHE 231 1.000 71.116 69.407 -5.794 -99.200 -91.000 TYR 233 0.840 74.153 66.218 3.088 -99.200 -91.000 TRP 239 1.040 62.353 73.464 -5.389 -99.200 -91.000 TRP6 239 1.020 63.320 71.325 -5.154 -99.200 -91.000 PHE 250 1.000 54.711 76.107 11.302 -99.200 -91.000 TYR 253 0.840 51.065 63.443 12.290 -99.200 -91.000 PHE 257 1.000 54.679 64.802 16.133 -99.200 -91.000 TYR 264 0.840 77.217 69.506 9.893 -99.200 -91.000 HIS 285 0.900 81.487 60.853 -20.685 -99.200 -91.000 TYR 327 0.840 76.163 35.326 -18.142 -99.200 -91.000 PHE 334 1.000 79.562 43.109 -9.252 -99.200 -91.000 PHE 338 1.000 65.654 49.184 -7.445 -99.200 -91.000 TYR 376 0.840 77.945 31.089 -22.175 -99.200 -91.000 PHE 379 1.000 71.023 34.455 -17.619 -99.200 -91.000 TYR 380 0.840 62.084 34.519 -17.711 -99.200 -91.000 PHE 381 1.000 68.032 39.406 -19.641 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2wk8A1 PRO 4 HA -0.01 -0.03 0.13 -0.51 4.44 4.02 2wk8A1 PRO 4 HB2 -0.02 -0.03 -0.10 -0.04 2.28 2.10 2wk8A1 PRO 4 HB3 -0.01 -0.02 0.06 -0.04 2.02 2.01 2wk8A1 PRO 4 HG2 -0.01 -0.00 -0.01 -0.04 2.03 1.96 2wk8A1 PRO 4 HG3 -0.01 0.01 0.02 -0.04 2.03 2.01 2wk8A1 PRO 4 HD2 -0.01 -0.01 -0.01 -0.04 3.68 3.61 2wk8A1 PRO 4 HD3 -0.01 0.01 0.02 -0.04 3.65 3.63 2wk8A1 GLN 5 H -0.01 0.20 0.03 -0.55 8.47 8.14 2wk8A1 GLN 5 HA -0.02 0.17 0.91 -0.75 4.36 4.67 2wk8A1 LEU 6 H -0.04 0.16 0.08 -0.55 8.37 8.02 2wk8A1 LEU 6 HA -0.09 0.11 0.45 -0.75 4.35 4.08 2wk8A1 LEU 6 HB2 -0.07 -0.02 0.13 -0.04 1.64 1.65 2wk8A1 LEU 6 HB3 -0.14 -0.02 -0.02 -0.04 1.64 1.43 2wk8A1 LEU 6 HG -0.06 0.01 -0.03 -0.04 1.64 1.52 2wk8A1 LEU 6 HD13 -0.06 0.00 -0.05 -0.04 0.93 0.78 2wk8A1 LEU 6 HD23 -0.11 0.01 -0.01 -0.04 0.89 0.73 2wk8A1 PRO 7 HA -0.02 0.10 0.48 -0.51 4.44 4.50 2wk8A1 PRO 7 HB2 -0.90 -0.11 -0.00 -0.04 2.28 1.23 2wk8A1 PRO 7 HB3 0.19 0.07 0.14 -0.04 2.02 2.37 2wk8A1 PRO 7 HG2 -0.13 0.07 0.08 -0.04 2.03 2.01 2wk8A1 PRO 7 HG3 0.03 0.12 0.13 -0.04 2.03 2.27 2wk8A1 PRO 7 HD2 -0.27 0.05 0.20 -0.04 3.68 3.63 2wk8A1 PRO 7 HD3 -0.09 0.26 0.28 -0.04 3.65 4.07 2wk8A1 ASP 8 H 0.04 0.22 0.20 -0.55 8.40 8.31 2wk8A1 ASP 8 HA -0.02 0.09 0.46 -0.75 4.63 4.41 2wk8A1 ASP 8 HB2 0.08 0.00 0.13 -0.04 2.71 2.89 2wk8A1 ASP 8 HB3 0.05 0.04 0.05 -0.04 2.70 2.79 2wk8A1 PHE 9 H 0.20 0.10 -0.26 -0.55 8.34 7.83 2wk8A1 PHE 9 HA 0.01 0.10 0.30 -0.75 4.62 4.28 2wk8A1 PHE 9 HB2 -0.00 0.06 0.12 -0.04 3.15 3.29 2wk8A1 PHE 9 HB3 0.00 -0.01 0.07 -0.04 3.06 3.09 2wk8A1 PHE 9 HD2 -0.00 -0.03 -0.05 -0.04 7.28 7.16 2wk8A1 PHE 9 HE2 -0.01 0.02 -0.02 -0.04 7.38 7.33 2wk8A1 PHE 9 HZ -0.01 0.03 -0.02 -0.04 7.32 7.28 2wk8A1 ILE 10 H -0.36 0.35 -0.69 -0.55 8.25 7.00 2wk8A1 ILE 10 HA -0.14 0.21 0.93 -0.75 4.18 4.42 2wk8A1 ILE 10 HB -0.39 0.06 0.04 -0.04 1.89 1.55 2wk8A1 ILE 10 HG12 -0.29 0.08 -0.07 -0.04 1.49 1.18 2wk8A1 ILE 10 HG13 -1.64 -0.12 -0.35 -0.04 1.21 -0.93 2wk8A1 ILE 10 HG23 -0.14 0.00 -0.10 -0.04 0.93 0.64 2wk8A1 ILE 10 HD13 -0.27 0.01 -0.03 -0.04 0.88 0.55 2wk8A1 GLN 11 H -0.14 0.51 0.09 -0.55 8.47 8.38 2wk8A1 GLN 11 HA -0.05 0.05 0.31 -0.75 4.36 3.91 2wk8A1 GLN 11 HB2 -0.06 0.11 0.06 -0.04 2.15 2.22 2wk8A1 GLN 11 HB3 -0.03 -0.01 0.09 -0.04 2.02 2.03 2wk8A1 GLN 11 HG2 -0.01 0.04 -0.00 -0.04 2.40 2.38 2wk8A1 GLN 11 HG3 -0.01 -0.04 -0.07 -0.04 2.39 2.23 2wk8A1 GLN 11 HE21 -0.01 0.04 0.02 -0.04 6.97 6.98 2wk8A1 GLN 11 HE22 0.00 -0.04 0.05 -0.04 7.69 7.66 2wk8A1 ASN 12 H -0.01 0.42 -0.17 -0.55 8.53 8.22 2wk8A1 ASN 12 HA 0.04 0.04 0.39 -0.75 4.76 4.49 2wk8A1 ASN 12 HB2 0.05 0.05 0.04 -0.04 2.88 2.98 2wk8A1 ASN 12 HB3 0.08 -0.00 0.02 -0.04 2.79 2.85 2wk8A1 ASN 12 HD21 0.04 -0.08 0.02 -0.04 7.03 6.97 2wk8A1 ASN 12 HD22 0.05 -0.00 -0.04 -0.04 7.74 7.70 2wk8A1 LYS 13 H 0.02 0.15 -0.33 -0.55 8.42 7.70 2wk8A1 LYS 13 HA 0.06 0.03 0.45 -0.75 4.32 4.11 2wk8A1 LYS 13 HB2 0.02 0.05 0.09 -0.04 1.87 1.98 2wk8A1 LYS 13 HB3 -0.02 0.09 0.07 -0.04 1.79 1.89 2wk8A1 LYS 13 HG2 -0.01 -0.03 -0.05 -0.04 1.46 1.33 2wk8A1 LYS 13 HG3 0.01 -0.02 0.04 -0.04 1.46 1.46 2wk8A1 LYS 13 HD2 0.02 0.06 0.05 -0.04 1.69 1.77 2wk8A1 LYS 13 HD3 -0.03 -0.01 -0.00 -0.04 1.68 1.60 2wk8A1 LYS 13 HE2 0.00 -0.00 0.00 -0.04 2.99 2.95 2wk8A1 LYS 13 HE3 -0.01 0.00 0.00 -0.04 2.99 2.95 2wk8A1 ILE 14 H -0.00 0.57 -0.17 -0.55 8.25 8.09 2wk8A1 ILE 14 HA 0.01 0.03 0.47 -0.75 4.18 3.93 2wk8A1 ILE 14 HB -0.00 0.09 0.17 -0.04 1.89 2.11 2wk8A1 ILE 14 HG12 -0.05 0.13 -0.02 -0.04 1.49 1.51 2wk8A1 ILE 14 HG13 -0.04 -0.02 -0.02 -0.04 1.21 1.09 2wk8A1 ILE 14 HG23 0.03 -0.01 -0.11 -0.04 0.93 0.80 2wk8A1 ILE 14 HD13 -0.07 -0.02 -0.08 -0.04 0.88 0.67 2wk8A1 ASP 15 H 0.04 0.79 0.08 -0.55 8.40 8.75 2wk8A1 ASP 15 HA 0.04 0.01 0.45 -0.75 4.63 4.38 2wk8A1 ASP 15 HB2 0.04 0.04 0.18 -0.04 2.71 2.92 2wk8A1 ASP 15 HB3 0.01 -0.03 0.01 -0.04 2.70 2.65 2wk8A1 HIS 16 H 0.16 0.67 -0.15 -0.55 8.41 8.54 2wk8A1 HIS 16 HA 0.02 0.01 0.38 -0.75 4.63 4.29 2wk8A1 HIS 16 HB2 0.04 0.26 0.17 -0.04 3.26 3.69 2wk8A1 HIS 16 HB3 0.06 0.01 0.02 -0.04 3.20 3.25 2wk8A1 HIS 16 HD2 0.02 -0.02 -0.02 -0.04 6.97 6.91 2wk8A1 HIS 16 HE1 -0.00 -0.00 -0.01 -0.04 7.75 7.69 2wk8A1 TYR 17 H 0.21 0.53 -0.18 -0.55 8.29 8.31 2wk8A1 TYR 17 HA 0.14 0.00 0.40 -0.75 4.56 4.34 2wk8A1 TYR 17 HB2 -0.10 0.06 0.14 -0.04 3.06 3.13 2wk8A1 TYR 17 HB3 -0.13 0.09 0.16 -0.04 2.98 3.06 2wk8A1 TYR 17 HD2 -0.50 0.02 -0.16 -0.04 7.15 6.47 2wk8A1 TYR 17 HE2 -0.79 -0.02 -0.07 -0.04 6.85 5.94 2wk8A1 ILE 18 H 0.08 0.65 -0.07 -0.55 8.25 8.36 2wk8A1 ILE 18 HA -0.45 -0.04 0.35 -0.75 4.18 3.29 2wk8A1 ILE 18 HB 0.07 0.07 0.13 -0.04 1.89 2.12 2wk8A1 ILE 18 HG12 0.16 -0.11 0.06 -0.04 1.49 1.56 2wk8A1 ILE 18 HG13 0.10 0.42 0.06 -0.04 1.21 1.75 2wk8A1 ILE 18 HG23 0.37 -0.01 -0.01 -0.04 0.93 1.24 2wk8A1 ILE 18 HD13 0.19 -0.03 -0.02 -0.04 0.88 0.98 2wk8A1 GLU 19 H -0.01 0.46 -0.21 -0.55 8.60 8.28 2wk8A1 GLU 19 HA -0.01 0.08 0.42 -0.75 4.29 4.03 2wk8A1 GLU 19 HB2 -0.06 -0.06 0.09 -0.04 2.09 2.02 2wk8A1 GLU 19 HB3 -0.05 0.03 0.13 -0.04 1.99 2.07 2wk8A1 GLU 19 HG2 -0.15 0.02 0.19 -0.04 2.34 2.36 2wk8A1 GLU 19 HG3 -0.09 0.09 -0.10 -0.04 2.34 2.20 2wk8A1 ASN 20 H -0.05 0.44 -0.19 -0.55 8.53 8.19 2wk8A1 ASN 20 HA -0.13 0.11 0.55 -0.75 4.76 4.53 2wk8A1 ASN 20 HB2 0.05 0.08 0.11 -0.04 2.88 3.08 2wk8A1 ASN 20 HB3 -0.24 -0.11 0.14 -0.04 2.79 2.54 2wk8A1 ASN 20 HD21 -0.05 -0.06 -0.06 -0.04 7.03 6.82 2wk8A1 ASN 20 HD22 -0.08 0.11 -0.22 -0.04 7.74 7.51 2wk8A1 TYR 21 H -0.22 0.22 -0.27 -0.55 8.29 7.47 2wk8A1 TYR 21 HA -0.28 0.12 1.00 -0.75 4.56 4.65 2wk8A1 TYR 21 HB2 -1.40 0.19 0.02 -0.04 3.06 1.83 2wk8A1 TYR 21 HB3 -0.42 -0.14 -0.01 -0.04 2.98 2.37 2wk8A1 TYR 21 HD2 -0.45 0.04 -0.02 -0.04 7.15 6.68 2wk8A1 TYR 21 HE2 -0.04 -0.04 -0.04 -0.04 6.85 6.69 2wk8A1 PHE 22 H -0.11 0.41 0.02 -0.55 8.34 8.11 2wk8A1 PHE 22 HA 0.04 0.15 0.28 -0.75 4.62 4.33 2wk8A1 PHE 22 HB2 0.05 0.19 0.16 -0.04 3.15 3.50 2wk8A1 PHE 22 HB3 0.05 0.22 0.04 -0.04 3.06 3.33 2wk8A1 PHE 22 HD2 0.14 0.06 -0.22 -0.04 7.28 7.22 2wk8A1 PHE 22 HE2 0.26 -0.04 -0.04 -0.04 7.38 7.51 2wk8A1 PHE 22 HZ 0.22 -0.03 -0.04 -0.04 7.32 7.42 2wk8A1 ASN 27 HA 0.01 -0.02 0.22 -0.75 4.76 4.22 2wk8A1 ASN 27 HB2 0.01 0.00 0.08 -0.04 2.88 2.93 2wk8A1 ASN 27 HB3 0.01 -0.01 0.11 -0.04 2.79 2.85 2wk8A1 ASN 27 HD21 0.02 0.15 -0.00 -0.04 7.03 7.15 2wk8A1 ASN 27 HD22 0.01 -0.06 0.01 -0.04 7.74 7.67 2wk8A1 GLY 28 H 0.02 0.20 0.50 -0.55 8.43 8.60 2wk8A1 GLY 28 HA2 0.05 0.04 -0.27 -0.51 4.01 3.32 2wk8A1 GLY 28 HA3 0.02 0.06 0.18 -0.51 4.01 3.76 2wk8A1 LYS 29 H 0.02 0.15 -0.54 -0.55 8.42 7.50 2wk8A1 LYS 29 HA -0.09 0.14 0.92 -0.75 4.32 4.53 2wk8A1 LYS 29 HB2 0.01 0.21 -0.00 -0.04 1.87 2.05 2wk8A1 LYS 29 HB3 -0.04 -0.14 0.14 -0.04 1.79 1.71 2wk8A1 LYS 29 HG2 -0.05 -0.02 -0.20 -0.04 1.46 1.15 2wk8A1 LYS 29 HG3 -0.01 0.20 -0.08 -0.04 1.46 1.53 2wk8A1 LYS 29 HD2 -0.03 -0.06 -0.02 -0.04 1.69 1.54 2wk8A1 LYS 29 HD3 -0.04 -0.07 -0.03 -0.04 1.68 1.50 2wk8A1 LYS 29 HE2 -0.00 -0.09 -0.03 -0.04 2.99 2.83 2wk8A1 LYS 29 HE3 -0.00 0.01 -0.02 -0.04 2.99 2.93 2wk8A1 HIS 30 H 0.04 0.06 0.14 -0.55 8.41 8.11 2wk8A1 HIS 30 HA 0.30 0.35 0.59 -0.75 4.63 5.12 2wk8A1 HIS 30 HB2 0.36 0.03 0.09 -0.04 3.26 3.70 2wk8A1 HIS 30 HB3 0.09 -0.05 0.08 -0.04 3.20 3.28 2wk8A1 HIS 30 HD2 0.41 0.03 -0.01 -0.04 6.97 7.36 2wk8A1 HIS 30 HE1 0.08 0.02 0.01 -0.04 7.75 7.82 2wk8A1 LEU 31 H -0.45 0.21 0.21 -0.55 8.37 7.80 2wk8A1 LEU 31 HA -0.04 0.15 0.30 -0.75 4.35 4.01 2wk8A1 LEU 31 HB2 -0.22 0.05 0.18 -0.04 1.64 1.61 2wk8A1 LEU 31 HB3 -0.12 -0.07 0.04 -0.04 1.64 1.45 2wk8A1 LEU 31 HG -0.04 0.01 -0.11 -0.04 1.64 1.46 2wk8A1 LEU 31 HD13 -0.07 0.03 0.03 -0.04 0.93 0.88 2wk8A1 LEU 31 HD23 -0.06 -0.02 -0.02 -0.04 0.89 0.75 2wk8A1 VAL 32 H 0.51 0.01 -0.27 -0.55 8.24 7.95 2wk8A1 VAL 32 HA 0.07 0.02 0.35 -0.75 4.13 3.81 2wk8A1 VAL 32 HB 0.01 -0.01 0.15 -0.04 2.12 2.23 2wk8A1 VAL 32 HG13 0.11 0.02 0.05 -0.04 0.97 1.11 2wk8A1 VAL 32 HG23 0.09 -0.01 -0.12 -0.04 0.95 0.87 2wk8A1 LEU 33 H 0.12 0.73 -0.48 -0.55 8.37 8.19 2wk8A1 LEU 33 HA 0.05 0.07 0.92 -0.75 4.35 4.63 2wk8A1 LEU 33 HB2 0.04 0.06 0.12 -0.04 1.64 1.82 2wk8A1 LEU 33 HB3 0.02 0.07 -0.03 -0.04 1.64 1.65 2wk8A1 LEU 33 HG -0.01 -0.02 -0.02 -0.04 1.64 1.55 2wk8A1 LEU 33 HD13 0.01 0.02 -0.12 -0.04 0.93 0.79 2wk8A1 LEU 33 HD23 0.05 -0.08 -0.08 -0.04 0.89 0.74 2wk8A1 GLY 34 H 0.06 0.10 0.01 -0.55 8.43 8.06 2wk8A1 GLY 34 HA2 0.03 0.20 0.78 -0.51 4.01 4.52 2wk8A1 GLY 34 HA3 0.05 -0.02 0.34 -0.51 4.01 3.87 2wk8A1 LYS 35 H 0.12 0.17 0.11 -0.55 8.42 8.26 2wk8A1 LYS 35 HA 0.06 0.15 0.82 -0.75 4.32 4.60 2wk8A1 LYS 35 HB2 0.08 0.03 0.06 -0.04 1.87 1.99 2wk8A1 LYS 35 HB3 0.06 -0.01 -0.00 -0.04 1.79 1.80 2wk8A1 LYS 35 HG2 0.11 -0.10 0.04 -0.04 1.46 1.47 2wk8A1 LYS 35 HG3 0.25 0.10 -0.21 -0.04 1.46 1.56 2wk8A1 LYS 35 HD2 0.05 -0.06 -0.04 -0.04 1.69 1.60 2wk8A1 LYS 35 HD3 0.02 0.02 -0.16 -0.04 1.68 1.52 2wk8A1 LYS 35 HE2 0.05 -0.01 -0.05 -0.04 2.99 2.94 2wk8A1 LYS 35 HE3 0.15 0.13 -0.10 -0.04 2.99 3.13 2wk8A1 GLN 36 H 0.04 0.09 0.13 -0.55 8.47 8.19 2wk8A1 GLN 36 HA -0.01 0.02 0.46 -0.75 4.36 4.08 2wk8A1 GLN 36 HB2 0.00 -0.02 0.12 -0.04 2.15 2.21 2wk8A1 GLN 36 HB3 -0.00 0.00 0.04 -0.04 2.02 2.02 2wk8A1 GLN 36 HG2 -0.05 0.16 0.01 -0.04 2.40 2.48 2wk8A1 GLN 36 HG3 -0.03 -0.04 0.06 -0.04 2.39 2.34 2wk8A1 GLN 36 HE21 -0.02 -0.04 -0.00 -0.04 6.97 6.87 2wk8A1 GLN 36 HE22 -0.03 0.02 0.00 -0.04 7.69 7.64 2wk8A1 ALA 37 H -0.16 0.05 0.16 -0.55 8.40 7.90 2wk8A1 ALA 37 HA -0.17 0.23 0.68 -0.75 4.34 4.33 2wk8A1 ALA 37 HB3 -0.95 0.01 0.01 -0.04 1.41 0.44 2wk8A1 SER 38 H -0.11 0.15 0.14 -0.55 8.46 8.10 2wk8A1 SER 38 HA -0.05 0.21 0.74 -0.75 4.49 4.63 2wk8A1 SER 38 HB2 -0.01 -0.07 0.05 -0.04 3.95 3.88 2wk8A1 SER 38 HB3 -0.01 -0.02 0.12 -0.04 3.93 3.98 2wk8A1 PRO 39 HA -0.04 0.10 0.46 -0.51 4.44 4.45 2wk8A1 PRO 39 HB2 -0.01 0.01 0.05 -0.04 2.28 2.28 2wk8A1 PRO 39 HB3 -0.02 0.03 0.10 -0.04 2.02 2.09 2wk8A1 PRO 39 HG2 -0.02 0.03 0.09 -0.04 2.03 2.10 2wk8A1 PRO 39 HG3 -0.02 0.05 0.09 -0.04 2.03 2.11 2wk8A1 PRO 39 HD2 -0.02 0.08 0.22 -0.04 3.68 3.93 2wk8A1 PRO 39 HD3 -0.03 0.20 0.22 -0.04 3.65 3.99 2wk8A1 ASP 40 H -0.01 0.03 -0.28 -0.55 8.40 7.60 2wk8A1 ASP 40 HA 0.00 0.14 0.45 -0.75 4.63 4.47 2wk8A1 ASP 40 HB2 0.01 -0.02 0.02 -0.04 2.71 2.68 2wk8A1 ASP 40 HB3 0.01 0.01 0.07 -0.04 2.70 2.75 2wk8A1 ASP 41 H -0.02 0.18 -0.39 -0.55 8.40 7.63 2wk8A1 ASP 41 HA 0.08 0.06 0.63 -0.75 4.63 4.64 2wk8A1 ASP 41 HB2 -0.13 0.05 0.02 -0.04 2.71 2.61 2wk8A1 ASP 41 HB3 0.20 0.16 -0.04 -0.04 2.70 2.98 2wk8A1 ILE 42 H 0.14 0.75 0.35 -0.55 8.25 8.94 2wk8A1 ILE 42 HA 0.05 0.07 0.81 -0.75 4.18 4.36 2wk8A1 ILE 42 HB 0.09 0.03 0.19 -0.04 1.89 2.17 2wk8A1 ILE 42 HG12 0.05 0.03 -0.04 -0.04 1.49 1.49 2wk8A1 ILE 42 HG13 0.06 0.05 0.10 -0.04 1.21 1.38 2wk8A1 ILE 42 HG23 0.06 -0.02 -0.11 -0.04 0.93 0.82 2wk8A1 ILE 42 HD13 0.04 -0.05 0.05 -0.04 0.88 0.88 2wk8A1 ILE 43 H 0.04 0.19 0.15 -0.55 8.25 8.08 2wk8A1 ILE 43 HA 0.13 0.27 0.93 -0.75 4.18 4.75 2wk8A1 ILE 43 HB 0.00 -0.07 0.13 -0.04 1.89 1.90 2wk8A1 ILE 43 HG12 -0.22 0.03 -0.19 -0.04 1.49 1.07 2wk8A1 ILE 43 HG13 -0.05 0.12 -0.17 -0.04 1.21 1.07 2wk8A1 ILE 43 HG23 0.00 -0.04 -0.05 -0.04 0.93 0.81 2wk8A1 ILE 43 HD13 -0.11 -0.00 -0.05 -0.04 0.88 0.68 2wk8A1 LEU 44 H 0.14 1.17 0.43 -0.55 8.37 9.56 2wk8A1 LEU 44 HA 0.09 0.19 0.92 -0.75 4.35 4.80 2wk8A1 LEU 44 HB2 0.11 -0.11 0.24 -0.04 1.64 1.83 2wk8A1 LEU 44 HB3 0.10 0.01 0.07 -0.04 1.64 1.77 2wk8A1 LEU 44 HG 0.10 0.08 -0.48 -0.04 1.64 1.30 2wk8A1 LEU 44 HD13 0.07 -0.02 -0.16 -0.04 0.93 0.78 2wk8A1 LEU 44 HD23 0.08 0.02 -0.20 -0.04 0.89 0.74 2wk8A1 GLN 45 H 0.08 0.02 -0.01 -0.55 8.47 8.00 2wk8A1 GLN 45 HA 0.12 0.22 0.92 -0.75 4.36 4.87 2wk8A1 GLN 45 HB2 0.06 -0.03 -0.06 -0.04 2.15 2.08 2wk8A1 GLN 45 HB3 0.08 -0.01 -0.00 -0.04 2.02 2.04 2wk8A1 GLN 45 HG2 0.12 0.06 -0.54 -0.04 2.40 2.00 2wk8A1 GLN 45 HG3 0.12 -0.08 -0.47 -0.04 2.39 1.92 2wk8A1 GLN 45 HE21 0.16 -0.04 0.01 -0.04 6.97 7.06 2wk8A1 GLN 45 HE22 0.19 0.58 -0.04 -0.04 7.69 8.37 2wk8A1 SER 46 H 0.05 0.03 0.07 -0.55 8.46 8.07 2wk8A1 SER 46 HA 0.02 0.13 0.49 -0.75 4.49 4.37 2wk8A1 SER 46 HB2 0.02 0.06 0.08 -0.04 3.95 4.07 2wk8A1 SER 46 HB3 0.00 0.05 0.02 -0.04 3.93 3.96 2wk8A1 ASN 47 H -0.06 0.18 0.16 -0.55 8.53 8.27 2wk8A1 ASN 47 HA -0.50 0.24 0.63 -0.75 4.76 4.37 2wk8A1 ASN 47 HB2 -0.09 0.13 0.16 -0.04 2.88 3.03 2wk8A1 ASN 47 HB3 -0.22 -0.12 0.20 -0.04 2.79 2.60 2wk8A1 ASN 47 HD21 0.26 0.05 -0.06 -0.04 7.03 7.24 2wk8A1 ASN 47 HD22 0.23 -0.00 -0.02 -0.04 7.74 7.90 2wk8A1 ASP 48 H -0.12 0.04 -0.44 -0.55 8.40 7.32 2wk8A1 ASP 48 HA -0.08 0.29 0.44 -0.75 4.63 4.53 2wk8A1 ASP 48 HB2 -0.02 0.07 0.09 -0.04 2.71 2.80 2wk8A1 ASP 48 HB3 -0.01 0.05 0.15 -0.04 2.70 2.85 2wk8A1 TYR 49 H -0.14 0.36 -0.03 -0.55 8.29 7.93 2wk8A1 TYR 49 HA 0.07 0.23 0.11 -0.75 4.56 4.22 2wk8A1 TYR 49 HB2 0.08 -0.05 0.04 -0.04 3.06 3.08 2wk8A1 TYR 49 HB3 0.08 0.03 0.02 -0.04 2.98 3.06 2wk8A1 TYR 49 HD2 0.11 0.14 0.02 -0.04 7.15 7.37 2wk8A1 TYR 49 HE2 0.15 -0.01 0.02 -0.04 6.85 6.97 2wk8A1 LEU 50 H 0.10 0.09 -0.23 -0.55 8.37 7.79 2wk8A1 LEU 50 HA 0.09 0.16 0.81 -0.75 4.35 4.65 2wk8A1 LEU 50 HB2 0.04 0.01 0.01 -0.04 1.64 1.65 2wk8A1 LEU 50 HB3 0.03 0.04 0.07 -0.04 1.64 1.74 2wk8A1 LEU 50 HG 0.04 -0.02 -0.02 -0.04 1.64 1.59 2wk8A1 LEU 50 HD13 0.10 -0.00 -0.28 -0.04 0.93 0.70 2wk8A1 LEU 50 HD23 0.02 0.03 -0.06 -0.04 0.89 0.83 2wk8A1 ALA 51 H 0.06 0.51 -0.38 -0.55 8.40 8.04 2wk8A1 ALA 51 HA 0.04 -0.00 0.32 -0.75 4.34 3.95 2wk8A1 ALA 51 HB3 0.05 0.04 -0.06 -0.04 1.41 1.39 2wk8A1 LEU 52 H 0.03 0.06 -0.17 -0.55 8.37 7.75 2wk8A1 LEU 52 HA 0.10 0.22 0.77 -0.75 4.35 4.69 2wk8A1 LEU 52 HB2 0.01 0.07 -0.06 -0.04 1.64 1.61 2wk8A1 LEU 52 HB3 -0.01 -0.01 0.07 -0.04 1.64 1.65 2wk8A1 LEU 52 HG -0.00 -0.11 -0.27 -0.04 1.64 1.22 2wk8A1 LEU 52 HD13 -0.13 0.05 -0.06 -0.04 0.93 0.74 2wk8A1 LEU 52 HD23 0.01 0.03 -0.09 -0.04 0.89 0.80 2wk8A1 ALA 53 H 0.04 0.04 -0.16 -0.55 8.40 7.78 2wk8A1 ALA 53 HA 0.06 0.13 0.26 -0.75 4.34 4.04 2wk8A1 ALA 53 HB3 0.03 0.00 0.04 -0.04 1.41 1.44 2wk8A1 ASN 54 H 0.05 0.07 -0.41 -0.55 8.53 7.70 2wk8A1 ASN 54 HA 0.04 0.25 0.83 -0.75 4.76 5.13 2wk8A1 ASN 54 HB2 0.02 -0.04 -0.02 -0.04 2.88 2.80 2wk8A1 ASN 54 HB3 0.01 0.01 0.11 -0.04 2.79 2.88 2wk8A1 ASN 54 HD21 0.02 0.02 -0.08 -0.04 7.03 6.94 2wk8A1 ASN 54 HD22 0.02 -0.13 -0.28 -0.04 7.74 7.32 2wk8A1 HIS 55 H 0.14 0.49 -0.33 -0.55 8.41 8.16 2wk8A1 HIS 55 HA 0.00 0.13 0.45 -0.75 4.63 4.46 2wk8A1 HIS 55 HB2 -0.00 0.07 0.17 -0.04 3.26 3.46 2wk8A1 HIS 55 HB3 -0.00 -0.07 0.13 -0.04 3.20 3.22 2wk8A1 HIS 55 HD2 -0.01 0.09 0.04 -0.04 6.97 7.04 2wk8A1 HIS 55 HE1 -0.01 0.02 0.03 -0.04 7.75 7.75 2wk8A1 PRO 56 HA 0.01 0.11 0.38 -0.51 4.44 4.43 2wk8A1 PRO 56 HB2 -0.06 -0.00 0.08 -0.04 2.28 2.26 2wk8A1 PRO 56 HB3 -0.04 0.06 0.10 -0.04 2.02 2.11 2wk8A1 PRO 56 HG2 -0.16 0.05 0.12 -0.04 2.03 1.99 2wk8A1 PRO 56 HG3 -0.09 0.13 0.14 -0.04 2.03 2.17 2wk8A1 PRO 56 HD2 -0.79 0.04 0.24 -0.04 3.68 3.14 2wk8A1 PRO 56 HD3 -0.28 0.23 0.31 -0.04 3.65 3.87 2wk8A1 LEU 57 H 0.24 0.17 -0.05 -0.55 8.37 8.18 2wk8A1 LEU 57 HA 0.08 0.10 0.44 -0.75 4.35 4.22 2wk8A1 LEU 57 HB2 0.24 0.02 0.09 -0.04 1.64 1.95 2wk8A1 LEU 57 HB3 0.16 0.01 -0.00 -0.04 1.64 1.77 2wk8A1 LEU 57 HG 0.02 -0.01 -0.08 -0.04 1.64 1.54 2wk8A1 LEU 57 HD13 0.04 0.01 0.03 -0.04 0.93 0.97 2wk8A1 LEU 57 HD23 0.03 0.02 -0.02 -0.04 0.89 0.87 2wk8A1 ILE 58 H 0.24 0.12 -0.39 -0.55 8.25 7.67 2wk8A1 ILE 58 HA 0.00 0.05 0.44 -0.75 4.18 3.92 2wk8A1 ILE 58 HB 0.08 0.14 0.10 -0.04 1.89 2.17 2wk8A1 ILE 58 HG12 -0.07 -0.02 -0.09 -0.04 1.49 1.27 2wk8A1 ILE 58 HG13 -0.16 -0.10 -0.12 -0.04 1.21 0.80 2wk8A1 ILE 58 HG23 0.03 0.02 -0.14 -0.04 0.93 0.79 2wk8A1 ILE 58 HD13 -0.10 0.03 0.01 -0.04 0.88 0.77 2wk8A1 LYS 59 H 0.08 0.56 -0.05 -0.55 8.42 8.46 2wk8A1 LYS 59 HA 0.06 0.01 0.32 -0.75 4.32 3.96 2wk8A1 LYS 59 HB2 0.04 0.04 0.07 -0.04 1.87 1.98 2wk8A1 LYS 59 HB3 0.04 -0.03 0.06 -0.04 1.79 1.82 2wk8A1 LYS 59 HG2 0.07 -0.04 -0.00 -0.04 1.46 1.44 2wk8A1 LYS 59 HG3 0.06 0.38 -0.14 -0.04 1.46 1.72 2wk8A1 LYS 59 HD2 0.04 -0.05 0.00 -0.04 1.69 1.65 2wk8A1 LYS 59 HD3 0.05 0.06 0.03 -0.04 1.68 1.77 2wk8A1 LYS 59 HE2 0.02 0.13 -0.21 -0.04 2.99 2.89 2wk8A1 LYS 59 HE3 0.02 -0.04 -0.05 -0.04 2.99 2.88 2wk8A1 ALA 60 H 0.05 0.54 -0.28 -0.55 8.40 8.17 2wk8A1 ALA 60 HA 0.02 0.02 0.35 -0.75 4.34 3.98 2wk8A1 ALA 60 HB3 0.02 0.02 0.09 -0.04 1.41 1.49 2wk8A1 ARG 61 H 0.03 0.44 -0.24 -0.55 8.46 8.14 2wk8A1 ARG 61 HA 0.01 0.04 0.52 -0.75 4.34 4.16 2wk8A1 ARG 61 HB2 0.00 0.06 0.15 -0.04 1.90 2.07 2wk8A1 ARG 61 HB3 0.00 -0.05 0.04 -0.04 1.80 1.75 2wk8A1 ARG 61 HG2 0.02 0.41 0.20 -0.04 1.67 2.27 2wk8A1 ARG 61 HG3 0.00 -0.10 0.05 -0.04 1.67 1.58 2wk8A1 ARG 61 HD2 0.01 -0.02 0.02 -0.04 3.22 3.18 2wk8A1 ARG 61 HD3 0.01 -0.02 -0.08 -0.04 3.22 3.09 2wk8A1 LEU 62 H 0.03 0.60 -0.07 -0.55 8.37 8.38 2wk8A1 LEU 62 HA 0.08 0.00 0.53 -0.75 4.35 4.21 2wk8A1 LEU 62 HB2 0.06 0.15 0.19 -0.04 1.64 2.00 2wk8A1 LEU 62 HB3 0.10 -0.00 -0.06 -0.04 1.64 1.63 2wk8A1 LEU 62 HG 0.01 -0.04 0.06 -0.04 1.64 1.63 2wk8A1 LEU 62 HD13 0.16 -0.00 -0.02 -0.04 0.93 1.02 2wk8A1 LEU 62 HD23 0.19 -0.00 0.01 -0.04 0.89 1.05 2wk8A1 ALA 63 H 0.02 0.62 -0.08 -0.55 8.40 8.42 2wk8A1 ALA 63 HA -0.03 -0.01 0.34 -0.75 4.34 3.88 2wk8A1 ALA 63 HB3 0.00 0.02 0.09 -0.04 1.41 1.48 2wk8A1 LYS 64 H 0.01 0.43 -0.26 -0.55 8.42 8.05 2wk8A1 LYS 64 HA -0.01 0.00 0.32 -0.75 4.32 3.89 2wk8A1 LYS 64 HB2 0.01 0.14 0.18 -0.04 1.87 2.16 2wk8A1 LYS 64 HB3 0.01 0.03 0.15 -0.04 1.79 1.93 2wk8A1 LYS 64 HG2 0.00 0.02 -0.02 -0.04 1.46 1.42 2wk8A1 LYS 64 HG3 0.00 -0.04 0.02 -0.04 1.46 1.41 2wk8A1 LYS 64 HD2 0.01 -0.04 -0.02 -0.04 1.69 1.60 2wk8A1 LYS 64 HD3 0.01 -0.02 -0.00 -0.04 1.68 1.62 2wk8A1 LYS 64 HE2 0.01 -0.05 -0.03 -0.04 2.99 2.88 2wk8A1 LYS 64 HE3 0.01 0.04 -0.13 -0.04 2.99 2.87 2wk8A1 SER 65 H 0.02 0.49 -0.08 -0.55 8.46 8.34 2wk8A1 SER 65 HA 0.02 0.10 0.39 -0.75 4.49 4.25 2wk8A1 SER 65 HB2 0.07 -0.10 0.05 -0.04 3.95 3.94 2wk8A1 SER 65 HB3 0.04 -0.01 0.12 -0.04 3.93 4.04 2wk8A1 LEU 66 H -0.04 0.50 -0.22 -0.55 8.37 8.07 2wk8A1 LEU 66 HA -0.33 -0.15 0.35 -0.75 4.35 3.46 2wk8A1 LEU 66 HB2 -0.29 0.20 0.11 -0.04 1.64 1.61 2wk8A1 LEU 66 HB3 -0.17 0.22 0.04 -0.04 1.64 1.70 2wk8A1 LEU 66 HG -0.97 -0.11 0.06 -0.04 1.64 0.58 2wk8A1 LEU 66 HD13 -0.23 -0.02 -0.06 -0.04 0.93 0.58 2wk8A1 LEU 66 HD23 -0.18 -0.01 -0.00 -0.04 0.89 0.66 2wk8A1 LEU 67 H -0.04 0.45 -0.68 -0.55 8.37 7.55 2wk8A1 LEU 67 HA -0.04 0.01 0.95 -0.75 4.35 4.52 2wk8A1 LEU 67 HB2 -0.01 0.05 0.08 -0.04 1.64 1.71 2wk8A1 LEU 67 HB3 -0.02 -0.10 0.10 -0.04 1.64 1.58 2wk8A1 LEU 67 HG -0.03 0.35 0.06 -0.04 1.64 1.97 2wk8A1 LEU 67 HD13 -0.02 -0.04 -0.02 -0.04 0.93 0.81 2wk8A1 LEU 67 HD23 -0.05 -0.04 -0.27 -0.04 0.89 0.49 2wk8A1 GLU 68 H -0.01 0.06 0.14 -0.55 8.60 8.25 2wk8A1 GLU 68 HA 0.01 0.01 0.31 -0.75 4.29 3.85 2wk8A1 GLU 68 HB2 0.00 0.57 0.32 -0.04 2.09 2.94 2wk8A1 GLU 68 HB3 0.01 -0.07 0.27 -0.04 1.99 2.15 2wk8A1 GLU 68 HG2 0.00 -0.04 0.01 -0.04 2.34 2.27 2wk8A1 GLU 68 HG3 0.00 0.00 -0.12 -0.04 2.34 2.19 2wk8A1 GLU 69 H 0.01 0.02 -0.07 -0.55 8.60 8.02 2wk8A1 GLU 69 HA 0.04 0.02 0.27 -0.75 4.29 3.87 2wk8A1 GLU 69 HB2 0.05 0.08 -0.35 -0.04 2.09 1.83 2wk8A1 GLU 69 HB3 0.06 -0.16 -0.09 -0.04 1.99 1.77 2wk8A1 GLU 69 HG2 0.02 0.06 0.02 -0.04 2.34 2.40 2wk8A1 GLU 69 HG3 0.08 -0.05 -0.00 -0.04 2.34 2.33 2wk8A1 GLN 70 H 0.03 0.09 0.18 -0.55 8.47 8.22 2wk8A1 GLN 70 HA 0.03 0.14 0.61 -0.75 4.36 4.38 2wk8A1 GLN 70 HB2 0.03 -0.19 0.23 -0.04 2.15 2.18 2wk8A1 GLN 70 HB3 0.03 -0.01 0.06 -0.04 2.02 2.05 2wk8A1 GLN 70 HG2 0.02 0.05 0.10 -0.04 2.40 2.53 2wk8A1 GLN 70 HG3 0.02 0.03 0.12 -0.04 2.39 2.53 2wk8A1 GLN 70 HE21 0.03 0.02 0.00 -0.04 6.97 6.98 2wk8A1 GLN 70 HE22 0.02 0.02 0.03 -0.04 7.69 7.72 2wk8A1 GLN 71 H 0.08 0.15 -0.16 -0.55 8.47 7.99 2wk8A1 GLN 71 HA 0.04 0.08 0.31 -0.75 4.36 4.04 2wk8A1 GLN 71 HB2 0.06 0.01 0.19 -0.04 2.15 2.37 2wk8A1 GLN 71 HB3 0.03 0.03 0.30 -0.04 2.02 2.34 2wk8A1 GLN 71 HG2 0.03 -0.77 0.27 -0.04 2.40 1.89 2wk8A1 GLN 71 HG3 0.04 0.13 0.11 -0.04 2.39 2.62 2wk8A1 GLN 71 HE21 0.02 0.09 0.03 -0.04 6.97 7.07 2wk8A1 GLN 71 HE22 0.02 0.01 0.05 -0.04 7.69 7.72 2wk8A1 SER 72 H 0.07 0.22 -0.10 -0.55 8.46 8.11 2wk8A1 SER 72 HA 0.26 0.07 0.39 -0.75 4.49 4.46 2wk8A1 SER 72 HB2 0.10 0.03 0.09 -0.04 3.95 4.13 2wk8A1 SER 72 HB3 0.09 0.05 0.22 -0.04 3.93 4.25 2wk8A1 LEU 73 H -0.09 0.50 0.30 -0.55 8.37 8.54 2wk8A1 LEU 73 HA 0.00 0.21 0.75 -0.75 4.35 4.56 2wk8A1 LEU 73 HB2 -0.13 0.00 0.16 -0.04 1.64 1.62 2wk8A1 LEU 73 HB3 -0.07 0.04 0.17 -0.04 1.64 1.73 2wk8A1 LEU 73 HG -0.01 -0.10 -0.26 -0.04 1.64 1.23 2wk8A1 LEU 73 HD13 -0.01 0.00 0.01 -0.04 0.93 0.89 2wk8A1 LEU 73 HD23 0.02 0.06 -0.16 -0.04 0.89 0.77 2wk8A1 PHE 74 H 0.25 0.13 -0.43 -0.55 8.34 7.74 2wk8A1 PHE 74 HA 0.03 0.12 0.75 -0.75 4.62 4.77 2wk8A1 PHE 74 HB2 0.02 0.00 0.14 -0.04 3.15 3.27 2wk8A1 PHE 74 HB3 0.02 0.02 0.05 -0.04 3.06 3.11 2wk8A1 PHE 74 HD2 0.03 -0.02 0.00 -0.04 7.28 7.24 2wk8A1 PHE 74 HE2 0.04 -0.01 -0.00 -0.04 7.38 7.37 2wk8A1 PHE 74 HZ 0.07 -0.00 0.01 -0.04 7.32 7.35 2wk8A1 MET 75 H 0.04 0.50 0.30 -0.55 8.47 8.77 2wk8A1 MET 75 HA 0.13 0.07 0.50 -0.75 4.52 4.47 2wk8A1 MET 75 HB2 0.20 -0.05 0.07 -0.04 2.15 2.33 2wk8A1 MET 75 HB3 0.08 0.13 -0.34 -0.04 2.03 1.86 2wk8A1 MET 75 HG2 0.04 0.07 -0.37 -0.04 2.63 2.33 2wk8A1 MET 75 HG3 0.15 0.17 -0.27 -0.04 2.56 2.57 2wk8A1 MET 75 HE3 -0.01 0.00 -0.07 -0.04 2.10 1.99 2wk8A1 SER 76 H 0.22 0.14 0.13 -0.55 8.46 8.41 2wk8A1 SER 76 HA -0.00 0.14 0.59 -0.75 4.49 4.46 2wk8A1 SER 76 HB2 -0.10 0.28 0.13 -0.04 3.95 4.22 2wk8A1 SER 76 HB3 -0.02 0.01 0.13 -0.04 3.93 4.00 2wk8A1 ALA 77 H -0.09 0.34 0.25 -0.55 8.40 8.35 2wk8A1 ALA 77 HA -0.07 0.10 0.46 -0.75 4.34 4.07 2wk8A1 ALA 77 HB3 -0.13 0.02 0.13 -0.04 1.41 1.39 2wk8A1 SER 78 H -0.26 0.20 -0.26 -0.55 8.46 7.60 2wk8A1 SER 78 HA -0.51 0.06 0.27 -0.75 4.49 3.55 2wk8A1 SER 78 HB2 -0.38 0.00 0.01 -0.04 3.95 3.54 2wk8A1 SER 78 HB3 -0.40 0.18 0.09 -0.04 3.93 3.75 2wk8A1 PHE 79 H -0.14 0.32 -0.42 -0.55 8.34 7.54 2wk8A1 PHE 79 HA 0.03 0.08 0.43 -0.75 4.62 4.41 2wk8A1 PHE 79 HB2 -0.01 0.14 0.02 -0.04 3.15 3.25 2wk8A1 PHE 79 HB3 0.01 -0.03 0.09 -0.04 3.06 3.09 2wk8A1 PHE 79 HD2 0.01 -0.02 0.03 -0.04 7.28 7.26 2wk8A1 PHE 79 HE2 0.00 -0.00 0.01 -0.04 7.38 7.34 2wk8A1 PHE 79 HZ -0.00 0.01 -0.00 -0.04 7.32 7.28 2wk8A1 LEU 80 H -0.02 0.62 -0.55 -0.55 8.37 7.87 2wk8A1 LEU 80 HA 0.00 0.09 0.82 -0.75 4.35 4.52 2wk8A1 LEU 80 HB2 -0.05 0.03 0.12 -0.04 1.64 1.71 2wk8A1 LEU 80 HB3 -0.03 0.02 0.14 -0.04 1.64 1.73 2wk8A1 LEU 80 HG 0.07 -0.07 -0.34 -0.04 1.64 1.25 2wk8A1 LEU 80 HD13 -0.02 -0.01 -0.05 -0.04 0.93 0.81 2wk8A1 LEU 80 HD23 0.05 0.03 -0.09 -0.04 0.89 0.83 2wk8A1 GLN 81 H 0.00 0.23 -0.26 -0.55 8.47 7.90 2wk8A1 GLN 81 HA -0.08 0.19 0.74 -0.75 4.36 4.45 2wk8A1 GLN 81 HB2 0.19 0.05 0.04 -0.04 2.15 2.39 2wk8A1 GLN 81 HB3 0.05 -0.04 0.11 -0.04 2.02 2.11 2wk8A1 GLN 81 HG2 -0.26 0.16 -0.05 -0.04 2.40 2.21 2wk8A1 GLN 81 HG3 -0.63 -0.04 -0.04 -0.04 2.39 1.63 2wk8A1 GLN 81 HE21 -0.16 -0.11 -0.07 -0.04 6.97 6.59 2wk8A1 GLN 81 HE22 -0.20 0.32 -0.24 -0.04 7.69 7.54 2wk8A1 ASN 82 H -0.12 0.07 -0.19 -0.55 8.53 7.75 2wk8A1 ASN 82 HA -0.15 0.10 0.66 -0.75 4.76 4.61 2wk8A1 ASN 82 HB2 -0.64 0.04 0.02 -0.04 2.88 2.27 2wk8A1 ASN 82 HB3 -1.10 -0.10 -0.01 -0.04 2.79 1.54 2wk8A1 ASN 82 HD21 0.02 0.04 0.01 -0.04 7.03 7.06 2wk8A1 ASN 82 HD22 -0.06 -0.02 0.09 -0.04 7.74 7.71 2wk8A1 ASP 83 H -0.14 0.15 0.15 -0.55 8.40 8.01 2wk8A1 ASP 83 HA -0.07 0.12 0.40 -0.75 4.63 4.34 2wk8A1 ASP 83 HB2 0.03 -0.10 0.16 -0.04 2.71 2.75 2wk8A1 ASP 83 HB3 0.02 0.05 0.01 -0.04 2.70 2.74 2wk8A1 TYR 84 H -0.19 0.06 -0.14 -0.55 8.29 7.46 2wk8A1 TYR 84 HA 0.01 0.09 0.28 -0.75 4.56 4.18 2wk8A1 TYR 84 HB2 0.01 0.04 0.07 -0.04 3.06 3.13 2wk8A1 TYR 84 HB3 0.01 -0.02 0.07 -0.04 2.98 3.00 2wk8A1 TYR 84 HD2 0.01 0.02 -0.17 -0.04 7.15 6.97 2wk8A1 TYR 84 HE2 0.02 0.02 -0.04 -0.04 6.85 6.81 2wk8A1 ASP 85 H -0.33 0.36 -0.73 -0.55 8.40 7.14 2wk8A1 ASP 85 HA 0.04 0.12 0.89 -0.75 4.63 4.93 2wk8A1 ASP 85 HB2 -0.19 0.04 -0.08 -0.04 2.71 2.44 2wk8A1 ASP 85 HB3 -0.04 -0.00 0.09 -0.04 2.70 2.71 2wk8A1 LYS 86 H -0.09 0.38 -0.02 -0.55 8.42 8.14 2wk8A1 LYS 86 HA -0.07 0.10 0.65 -0.75 4.32 4.26 2wk8A1 LYS 86 HB2 -0.05 0.05 0.18 -0.04 1.87 2.00 2wk8A1 LYS 86 HB3 -0.06 -0.09 0.05 -0.04 1.79 1.65 2wk8A1 LYS 86 HG2 -0.08 -0.04 0.07 -0.04 1.46 1.37 2wk8A1 LYS 86 HG3 -0.09 0.17 -0.07 -0.04 1.46 1.43 2wk8A1 LYS 86 HD2 -0.05 0.18 -0.04 -0.04 1.69 1.73 2wk8A1 LYS 86 HD3 -0.05 -0.09 -0.06 -0.04 1.68 1.44 2wk8A1 LYS 86 HE2 -0.04 -0.01 0.00 -0.04 2.99 2.90 2wk8A1 LYS 86 HE3 -0.05 -0.06 0.02 -0.04 2.99 2.86 2wk8A1 PRO 87 HA -0.03 0.10 0.33 -0.51 4.44 4.33 2wk8A1 PRO 87 HB2 -0.06 -0.19 0.05 -0.04 2.28 2.04 2wk8A1 PRO 87 HB3 -0.05 0.02 0.11 -0.04 2.02 2.06 2wk8A1 PRO 87 HG2 -0.08 -0.04 0.11 -0.04 2.03 1.98 2wk8A1 PRO 87 HG3 -0.06 0.16 0.14 -0.04 2.03 2.23 2wk8A1 PRO 87 HD2 -0.08 0.01 0.23 -0.04 3.68 3.81 2wk8A1 PRO 87 HD3 -0.07 0.35 0.39 -0.04 3.65 4.28 2wk8A1 MET 88 H -0.01 0.21 0.17 -0.55 8.47 8.29 2wk8A1 MET 88 HA -0.00 0.15 0.41 -0.75 4.52 4.32 2wk8A1 MET 88 HB2 0.00 0.09 0.14 -0.04 2.15 2.34 2wk8A1 MET 88 HB3 -0.00 -0.00 0.03 -0.04 2.03 2.01 2wk8A1 MET 88 HG2 0.01 -0.10 0.14 -0.04 2.63 2.64 2wk8A1 MET 88 HG3 0.01 0.07 0.05 -0.04 2.56 2.65 2wk8A1 MET 88 HE3 0.02 0.01 -0.03 -0.04 2.10 2.06 2wk8A1 ILE 89 H -0.03 0.08 -0.34 -0.55 8.25 7.41 2wk8A1 ILE 89 HA -0.01 0.08 0.38 -0.75 4.18 3.88 2wk8A1 ILE 89 HB -0.04 0.09 0.02 -0.04 1.89 1.91 2wk8A1 ILE 89 HG12 -0.07 0.00 -0.09 -0.04 1.49 1.29 2wk8A1 ILE 89 HG13 -0.06 -0.03 -0.18 -0.04 1.21 0.90 2wk8A1 ILE 89 HG23 -0.08 -0.01 -0.10 -0.04 0.93 0.70 2wk8A1 ILE 89 HD13 0.00 0.00 -0.16 -0.04 0.88 0.69 2wk8A1 GLU 90 H -0.05 0.49 -0.38 -0.55 8.60 8.11 2wk8A1 GLU 90 HA -0.12 -0.00 0.42 -0.75 4.29 3.83 2wk8A1 GLU 90 HB2 -0.06 0.22 0.13 -0.04 2.09 2.33 2wk8A1 GLU 90 HB3 -0.09 0.14 0.02 -0.04 1.99 2.03 2wk8A1 GLU 90 HG2 -0.19 -0.13 -0.21 -0.04 2.34 1.77 2wk8A1 GLU 90 HG3 -0.12 -0.10 -0.03 -0.04 2.34 2.05 2wk8A1 LYS 91 H -0.01 0.24 -0.04 -0.55 8.42 8.06 2wk8A1 LYS 91 HA 0.04 0.08 0.45 -0.75 4.32 4.14 2wk8A1 LYS 91 HB2 0.02 0.09 0.18 -0.04 1.87 2.12 2wk8A1 LYS 91 HB3 0.04 0.01 -0.01 -0.04 1.79 1.78 2wk8A1 LYS 91 HG2 0.02 0.01 0.04 -0.04 1.46 1.49 2wk8A1 LYS 91 HG3 0.03 0.03 0.07 -0.04 1.46 1.54 2wk8A1 LYS 91 HD2 0.00 0.04 0.01 -0.04 1.69 1.70 2wk8A1 LYS 91 HD3 -0.00 -0.08 0.00 -0.04 1.68 1.56 2wk8A1 LYS 91 HE2 -0.02 0.11 -0.09 -0.04 2.99 2.94 2wk8A1 LYS 91 HE3 -0.01 -0.10 0.14 -0.04 2.99 2.98 2wk8A1 ARG 92 H 0.04 0.39 -0.31 -0.55 8.46 8.03 2wk8A1 ARG 92 HA 0.09 0.07 0.39 -0.75 4.34 4.14 2wk8A1 ARG 92 HB2 0.04 -0.01 0.09 -0.04 1.90 1.98 2wk8A1 ARG 92 HB3 0.06 -0.00 -0.07 -0.04 1.80 1.75 2wk8A1 ARG 92 HG2 0.03 0.06 -0.03 -0.04 1.67 1.69 2wk8A1 ARG 92 HG3 0.02 -0.03 -0.06 -0.04 1.67 1.57 2wk8A1 ARG 92 HD2 0.07 -0.01 -0.01 -0.04 3.22 3.23 2wk8A1 ARG 92 HD3 0.04 0.01 -0.05 -0.04 3.22 3.18 2wk8A1 LEU 93 H 0.09 0.63 -0.11 -0.55 8.37 8.43 2wk8A1 LEU 93 HA 0.37 0.02 0.48 -0.75 4.35 4.47 2wk8A1 LEU 93 HB2 0.02 0.12 0.12 -0.04 1.64 1.85 2wk8A1 LEU 93 HB3 0.40 -0.09 -0.09 -0.04 1.64 1.81 2wk8A1 LEU 93 HG 0.04 0.12 0.03 -0.04 1.64 1.78 2wk8A1 LEU 93 HD13 -0.16 -0.04 -0.14 -0.04 0.93 0.55 2wk8A1 LEU 93 HD23 0.18 -0.01 -0.06 -0.04 0.89 0.95 2wk8A1 ALA 94 H 0.19 0.52 -0.32 -0.55 8.40 8.24 2wk8A1 ALA 94 HA 0.58 -0.07 0.31 -0.75 4.34 4.40 2wk8A1 ALA 94 HB3 0.17 0.07 -0.07 -0.04 1.41 1.54 2wk8A1 LYS 95 H 0.19 0.43 -0.19 -0.55 8.42 8.29 2wk8A1 LYS 95 HA 0.12 0.08 0.41 -0.75 4.32 4.18 2wk8A1 LYS 95 HB2 0.10 0.01 0.07 -0.04 1.87 2.01 2wk8A1 LYS 95 HB3 0.14 0.05 0.16 -0.04 1.79 2.09 2wk8A1 LYS 95 HG2 0.12 0.02 -0.33 -0.04 1.46 1.23 2wk8A1 LYS 95 HG3 0.08 -0.02 -0.02 -0.04 1.46 1.45 2wk8A1 LYS 95 HD2 0.07 -0.01 -0.03 -0.04 1.69 1.67 2wk8A1 LYS 95 HD3 0.09 -0.01 -0.05 -0.04 1.68 1.67 2wk8A1 LYS 95 HE2 0.07 0.00 -0.07 -0.04 2.99 2.95 2wk8A1 LYS 95 HE3 0.05 -0.00 -0.04 -0.04 2.99 2.96 2wk8A1 PHE 96 H 0.34 0.53 -0.13 -0.55 8.34 8.53 2wk8A1 PHE 96 HA 0.07 0.01 0.37 -0.75 4.62 4.32 2wk8A1 PHE 96 HB2 0.13 0.03 0.09 -0.04 3.15 3.36 2wk8A1 PHE 96 HB3 0.19 0.10 0.11 -0.04 3.06 3.41 2wk8A1 PHE 96 HD2 0.13 -0.02 -0.04 -0.04 7.28 7.32 2wk8A1 PHE 96 HE2 0.14 0.04 -0.09 -0.04 7.38 7.42 2wk8A1 PHE 96 HZ 0.08 0.07 -0.41 -0.04 7.32 7.02 2wk8A1 THR 97 H 0.18 0.24 -0.59 -0.55 8.28 7.57 2wk8A1 THR 97 HA -0.37 0.11 0.42 -0.75 4.39 3.80 2wk8A1 THR 97 HB 0.02 0.33 0.08 -0.04 4.32 4.70 2wk8A1 THR 97 HG23 -0.15 0.03 -0.09 -0.04 1.22 0.96 2wk8A1 GLY 98 H 0.09 0.43 -0.12 -0.55 8.43 8.29 2wk8A1 GLY 98 HA2 -0.00 0.06 0.26 -0.51 4.01 3.82 2wk8A1 GLY 98 HA3 -0.07 0.05 0.69 -0.51 4.01 4.16 2wk8A1 PHE 99 H 0.34 0.00 -0.23 -0.55 8.34 7.90 2wk8A1 PHE 99 HA 0.03 0.13 0.56 -0.75 4.62 4.59 2wk8A1 PHE 99 HB2 0.29 -0.02 -0.05 -0.04 3.15 3.33 2wk8A1 PHE 99 HB3 0.22 -0.02 -0.16 -0.04 3.06 3.05 2wk8A1 PHE 99 HD2 -0.06 -0.05 -0.36 -0.04 7.28 6.77 2wk8A1 PHE 99 HE2 -0.10 -0.03 -0.36 -0.04 7.38 6.86 2wk8A1 PHE 99 HZ -0.05 -0.08 -0.26 -0.04 7.32 6.88 2wk8A1 ASP 100 H 0.14 0.12 0.17 -0.55 8.40 8.28 2wk8A1 ASP 100 HA 0.09 0.07 0.34 -0.75 4.63 4.38 2wk8A1 ASP 100 HB2 0.11 0.10 0.32 -0.04 2.71 3.20 2wk8A1 ASP 100 HB3 0.07 -0.03 0.01 -0.04 2.70 2.70 2wk8A1 GLU 101 H 0.24 0.33 0.10 -0.55 8.60 8.72 2wk8A1 GLU 101 HA 0.08 0.21 0.97 -0.75 4.29 4.80 2wk8A1 GLU 101 HB2 0.09 -0.12 0.05 -0.04 2.09 2.07 2wk8A1 GLU 101 HB3 0.03 0.03 -0.02 -0.04 1.99 1.99 2wk8A1 GLU 101 HG2 0.09 -0.16 -0.66 -0.04 2.34 1.57 2wk8A1 GLU 101 HG3 0.07 0.06 -0.06 -0.04 2.34 2.37 2wk8A1 CYS 102 H -0.04 0.26 0.15 -0.55 8.50 8.32 2wk8A1 CYS 102 HA -0.41 0.35 1.14 -0.75 4.58 4.90 2wk8A1 CYS 102 HB2 -0.35 0.01 -0.21 -0.04 2.97 2.37 2wk8A1 CYS 102 HB3 -0.21 0.11 0.07 -0.04 2.97 2.89 2wk8A1 LEU 103 H -0.43 0.55 0.34 -0.55 8.37 8.29 2wk8A1 LEU 103 HA -0.18 0.19 0.94 -0.75 4.35 4.54 2wk8A1 LEU 103 HB2 -0.13 0.06 -0.06 -0.04 1.64 1.46 2wk8A1 LEU 103 HB3 -0.18 -0.11 0.13 -0.04 1.64 1.44 2wk8A1 LEU 103 HG -0.16 0.15 -0.27 -0.04 1.64 1.32 2wk8A1 LEU 103 HD13 -0.14 0.02 0.06 -0.04 0.93 0.83 2wk8A1 LEU 103 HD23 -0.13 -0.02 -0.10 -0.04 0.89 0.60 2wk8A1 LEU 104 H -0.18 0.19 0.15 -0.55 8.37 7.98 2wk8A1 LEU 104 HA -0.23 0.11 0.76 -0.75 4.35 4.23 2wk8A1 LEU 104 HB2 -0.14 0.03 0.16 -0.04 1.64 1.65 2wk8A1 LEU 104 HB3 -0.12 0.03 -0.04 -0.04 1.64 1.47 2wk8A1 LEU 104 HG -0.11 -0.00 -0.01 -0.04 1.64 1.48 2wk8A1 LEU 104 HD13 -0.19 0.01 -0.03 -0.04 0.93 0.67 2wk8A1 LEU 104 HD23 -0.13 -0.00 -0.07 -0.04 0.89 0.64 2wk8A1 SER 105 H -0.13 0.65 0.33 -0.55 8.46 8.77 2wk8A1 SER 105 HA -0.07 0.26 0.72 -0.75 4.49 4.64 2wk8A1 SER 105 HB2 -0.09 0.12 -0.29 -0.04 3.95 3.65 2wk8A1 SER 105 HB3 -0.07 -0.11 -0.24 -0.04 3.93 3.47 2wk8A1 GLN 106 H -0.01 0.19 0.07 -0.55 8.47 8.17 2wk8A1 GLN 106 HA -0.02 0.19 0.46 -0.75 4.36 4.25 2wk8A1 GLN 106 HB2 0.02 -0.07 0.01 -0.04 2.15 2.08 2wk8A1 GLN 106 HB3 -0.00 0.07 0.11 -0.04 2.02 2.16 2wk8A1 GLN 106 HG2 -0.00 0.35 0.00 -0.04 2.40 2.71 2wk8A1 GLN 106 HG3 -0.03 -0.13 -0.06 -0.04 2.39 2.13 2wk8A1 GLN 106 HE21 0.00 0.34 -0.06 -0.04 6.97 7.21 2wk8A1 GLN 106 HE22 -0.00 0.30 -0.41 -0.04 7.69 7.54 2wk8A1 SER 107 H 0.02 0.20 -0.29 -0.55 8.46 7.85 2wk8A1 SER 107 HA 0.03 0.22 0.18 -0.75 4.49 4.16 2wk8A1 SER 107 HB2 0.11 -0.07 0.07 -0.04 3.95 4.02 2wk8A1 SER 107 HB3 0.05 0.37 -0.22 -0.04 3.93 4.09 2wk8A1 GLY 108 H 0.06 0.28 0.17 -0.55 8.43 8.40 2wk8A1 GLY 108 HA2 0.03 0.14 0.49 -0.51 4.01 4.16 2wk8A1 GLY 108 HA3 0.04 0.03 0.35 -0.51 4.01 3.92 2wk8A1 TRP 109 H 0.29 0.15 -0.13 -0.55 7.97 7.73 2wk8A1 TRP 109 HA 0.09 0.04 0.39 -0.75 4.62 4.38 2wk8A1 TRP 109 HB2 0.10 0.03 0.06 -0.04 3.23 3.38 2wk8A1 TRP 109 HB3 0.06 0.01 0.01 -0.04 3.23 3.27 2wk8A1 TRP 109 HD1 0.09 -0.00 -0.35 -0.04 7.22 6.92 2wk8A1 TRP 109 HE1 0.21 0.10 -0.10 -0.04 10.20 10.36 2wk8A1 TRP 109 HE3 0.26 -0.07 -0.02 -0.04 7.59 7.72 2wk8A1 TRP 109 HZ2 0.17 0.10 -0.08 -0.04 7.44 7.58 2wk8A1 TRP 109 HZ3 0.04 -0.04 -0.11 -0.04 7.13 6.98 2wk8A1 TRP 109 HH2 0.04 0.09 -0.15 -0.04 7.19 7.13 2wk8A1 ASN 110 H 0.27 0.06 -0.35 -0.55 8.53 7.96 2wk8A1 ASN 110 HA 0.20 0.12 0.30 -0.75 4.76 4.63 2wk8A1 ASN 110 HB2 0.09 -0.10 0.02 -0.04 2.88 2.85 2wk8A1 ASN 110 HB3 0.08 0.06 -0.08 -0.04 2.79 2.81 2wk8A1 ASN 110 HD21 0.09 0.13 -0.07 -0.04 7.03 7.14 2wk8A1 ASN 110 HD22 0.07 -0.04 -0.07 -0.04 7.74 7.66 2wk8A1 ALA 111 H 0.03 0.28 -0.38 -0.55 8.40 7.79 2wk8A1 ALA 111 HA -0.05 0.08 0.21 -0.75 4.34 3.83 2wk8A1 ALA 111 HB3 -0.04 0.02 -0.04 -0.04 1.41 1.31 2wk8A1 ASN 112 H -0.07 0.40 -0.28 -0.55 8.53 8.03 2wk8A1 ASN 112 HA -0.11 0.06 0.39 -0.75 4.76 4.35 2wk8A1 ASN 112 HB2 -0.21 0.06 0.02 -0.04 2.88 2.71 2wk8A1 ASN 112 HB3 -0.20 0.07 -0.28 -0.04 2.79 2.33 2wk8A1 ASN 112 HD21 -0.04 -0.11 -0.10 -0.04 7.03 6.75 2wk8A1 ASN 112 HD22 -0.06 -0.08 -0.16 -0.04 7.74 7.40 2wk8A1 VAL 113 H -0.20 0.51 -0.04 -0.55 8.24 7.96 2wk8A1 VAL 113 HA -0.16 0.04 0.49 -0.75 4.13 3.75 2wk8A1 VAL 113 HB 0.02 -0.03 0.10 -0.04 2.12 2.17 2wk8A1 VAL 113 HG13 0.19 0.01 -0.16 -0.04 0.97 0.97 2wk8A1 VAL 113 HG23 -0.25 -0.00 -0.03 -0.04 0.95 0.63 2wk8A1 GLY 114 H -0.03 0.65 -0.18 -0.55 8.43 8.32 2wk8A1 GLY 114 HA2 -0.02 -0.02 0.31 -0.51 4.01 3.77 2wk8A1 GLY 114 HA3 -0.04 0.04 0.26 -0.51 4.01 3.76 2wk8A1 LEU 115 H -0.10 0.48 -0.18 -0.55 8.37 8.03 2wk8A1 LEU 115 HA -0.15 0.02 0.30 -0.75 4.35 3.76 2wk8A1 LEU 115 HB2 -0.14 -0.02 0.07 -0.04 1.64 1.51 2wk8A1 LEU 115 HB3 -0.15 0.03 0.11 -0.04 1.64 1.59 2wk8A1 LEU 115 HG -0.37 0.05 -0.34 -0.04 1.64 0.94 2wk8A1 LEU 115 HD13 -0.52 -0.01 -0.05 -0.04 0.93 0.30 2wk8A1 LEU 115 HD23 -0.22 -0.02 -0.12 -0.04 0.89 0.49 2wk8A1 LEU 116 H -0.15 0.46 -0.26 -0.55 8.37 7.87 2wk8A1 LEU 116 HA -0.17 0.01 0.29 -0.75 4.35 3.72 2wk8A1 LEU 116 HB2 -0.15 0.10 0.01 -0.04 1.64 1.56 2wk8A1 LEU 116 HB3 -0.15 0.06 -0.25 -0.04 1.64 1.26 2wk8A1 LEU 116 HG -0.16 -0.07 -0.05 -0.04 1.64 1.32 2wk8A1 LEU 116 HD13 -0.20 -0.03 -0.08 -0.04 0.93 0.58 2wk8A1 LEU 116 HD23 -0.15 -0.00 -0.13 -0.04 0.89 0.56 2wk8A1 GLN 117 H -0.10 0.40 -0.26 -0.55 8.47 7.96 2wk8A1 GLN 117 HA -0.09 0.12 0.42 -0.75 4.36 4.06 2wk8A1 GLN 117 HB2 -0.07 -0.00 0.08 -0.04 2.15 2.11 2wk8A1 GLN 117 HB3 -0.08 -0.01 0.07 -0.04 2.02 1.95 2wk8A1 GLN 117 HG2 -0.14 0.07 -0.14 -0.04 2.40 2.14 2wk8A1 GLN 117 HG3 -0.18 0.05 0.01 -0.04 2.39 2.23 2wk8A1 GLN 117 HE21 -1.56 -0.09 0.07 -0.04 6.97 5.35 2wk8A1 GLN 117 HE22 -0.56 0.06 0.01 -0.04 7.69 7.15 2wk8A1 THR 118 H -0.10 0.30 -0.37 -0.55 8.28 7.56 2wk8A1 THR 118 HA -0.05 0.06 0.29 -0.75 4.39 3.93 2wk8A1 THR 118 HB -0.11 0.09 0.13 -0.04 4.32 4.38 2wk8A1 THR 118 HG23 -0.03 -0.02 -0.11 -0.04 1.22 1.02 2wk8A1 ILE 119 H -0.14 0.26 -0.20 -0.55 8.25 7.62 2wk8A1 ILE 119 HA -0.06 0.17 0.58 -0.75 4.18 4.12 2wk8A1 ILE 119 HB -0.08 -0.04 0.03 -0.04 1.89 1.76 2wk8A1 ILE 119 HG12 -0.22 0.17 -0.01 -0.04 1.49 1.38 2wk8A1 ILE 119 HG13 -0.14 0.06 -0.27 -0.04 1.21 0.82 2wk8A1 ILE 119 HG23 -0.31 -0.01 -0.11 -0.04 0.93 0.45 2wk8A1 ILE 119 HD13 -0.41 -0.06 -0.17 -0.04 0.88 0.20 2wk8A1 CYS 120 H -0.09 0.36 -0.27 -0.55 8.50 7.95 2wk8A1 CYS 120 HA -0.07 0.05 0.85 -0.75 4.58 4.65 2wk8A1 CYS 120 HB2 -0.09 0.18 0.08 -0.04 2.97 3.10 2wk8A1 CYS 120 HB3 -0.08 0.11 -0.12 -0.04 2.97 2.84 2wk8A1 GLN 121 H -0.05 0.06 0.18 -0.55 8.47 8.12 2wk8A1 GLN 121 HA -0.04 0.26 0.72 -0.75 4.36 4.55 2wk8A1 GLN 121 HB2 -0.03 -0.15 0.05 -0.04 2.15 1.98 2wk8A1 GLN 121 HB3 -0.02 0.02 0.15 -0.04 2.02 2.12 2wk8A1 GLN 121 HG2 -0.02 0.01 -0.19 -0.04 2.40 2.16 2wk8A1 GLN 121 HG3 -0.01 -0.03 -0.01 -0.04 2.39 2.30 2wk8A1 GLN 121 HE21 -0.01 -0.02 -0.02 -0.04 6.97 6.89 2wk8A1 GLN 121 HE22 -0.01 -0.03 -0.03 -0.04 7.69 7.59 2wk8A1 PRO 122 HA -0.04 0.39 0.23 -0.51 4.44 4.50 2wk8A1 PRO 122 HB2 -0.02 -0.09 0.05 -0.04 2.28 2.19 2wk8A1 PRO 122 HB3 -0.02 0.07 0.15 -0.04 2.02 2.17 2wk8A1 PRO 122 HG2 -0.01 -0.05 0.09 -0.04 2.03 2.02 2wk8A1 PRO 122 HG3 -0.02 0.13 0.07 -0.04 2.03 2.17 2wk8A1 PRO 122 HD2 -0.02 0.00 0.20 -0.04 3.68 3.82 2wk8A1 PRO 122 HD3 -0.03 0.17 0.20 -0.04 3.65 3.95 2wk8A1 ASN 123 H -0.03 -0.00 -0.29 -0.55 8.53 7.67 2wk8A1 ASN 123 HA -0.03 0.15 0.54 -0.75 4.76 4.67 2wk8A1 ASN 123 HB2 -0.01 0.02 0.09 -0.04 2.88 2.94 2wk8A1 ASN 123 HB3 -0.01 -0.05 0.07 -0.04 2.79 2.75 2wk8A1 ASN 123 HD21 -0.01 0.00 -0.03 -0.04 7.03 6.96 2wk8A1 ASN 123 HD22 -0.01 -0.03 0.01 -0.04 7.74 7.66 2wk8A1 THR 124 H -0.05 0.47 -0.34 -0.55 8.28 7.80 2wk8A1 THR 124 HA -0.04 -0.01 0.14 -0.75 4.39 3.73 2wk8A1 THR 124 HB -0.08 0.06 0.13 -0.04 4.32 4.39 2wk8A1 THR 124 HG23 -0.06 0.04 -0.09 -0.04 1.22 1.06 2wk8A1 ASN 125 H -0.05 0.18 0.22 -0.55 8.53 8.32 2wk8A1 ASN 125 HA -0.22 0.22 0.69 -0.75 4.76 4.70 2wk8A1 ASN 125 HB2 -0.05 0.10 0.20 -0.04 2.88 3.09 2wk8A1 ASN 125 HB3 -0.52 -0.09 -0.10 -0.04 2.79 2.04 2wk8A1 ASN 125 HD21 0.11 0.28 -0.02 -0.04 7.03 7.35 2wk8A1 ASN 125 HD22 0.11 0.25 -0.29 -0.04 7.74 7.77 2wk8A1 VAL 126 H -0.44 0.71 0.21 -0.55 8.24 8.17 2wk8A1 VAL 126 HA -0.21 0.16 0.99 -0.75 4.13 4.32 2wk8A1 VAL 126 HB -0.32 -0.02 -0.07 -0.04 2.12 1.67 2wk8A1 VAL 126 HG13 -0.26 -0.04 -0.24 -0.04 0.97 0.39 2wk8A1 VAL 126 HG23 -0.18 0.04 -0.28 -0.04 0.95 0.49 2wk8A1 TYR 127 H -0.01 0.66 0.18 -0.55 8.29 8.57 2wk8A1 TYR 127 HA 0.00 0.32 0.80 -0.75 4.56 4.92 2wk8A1 TYR 127 HB2 0.02 -0.09 0.14 -0.04 3.06 3.08 2wk8A1 TYR 127 HB3 0.07 -0.05 0.00 -0.04 2.98 2.96 2wk8A1 TYR 127 HD2 -0.01 -0.00 -0.20 -0.04 7.15 6.89 2wk8A1 TYR 127 HE2 -0.10 0.08 -0.28 -0.04 6.85 6.51 2wk8A1 ILE 128 H -0.16 0.43 0.12 -0.55 8.25 8.08 2wk8A1 ILE 128 HA -0.11 0.23 0.99 -0.75 4.18 4.54 2wk8A1 ILE 128 HB -0.50 0.03 -0.29 -0.04 1.89 1.09 2wk8A1 ILE 128 HG12 -0.55 0.20 -0.23 -0.04 1.49 0.88 2wk8A1 ILE 128 HG13 -0.37 -0.08 -0.08 -0.04 1.21 0.64 2wk8A1 ILE 128 HG23 -1.18 0.02 -0.16 -0.04 0.93 -0.42 2wk8A1 ILE 128 HD13 -1.59 -0.00 -0.30 -0.04 0.88 -1.05 2wk8A1 ASP 129 H -0.19 0.41 0.32 -0.55 8.40 8.39 2wk8A1 ASP 129 HA -1.45 0.15 0.51 -0.75 4.63 3.08 2wk8A1 ASP 129 HB2 0.03 0.12 0.22 -0.04 2.71 3.04 2wk8A1 ASP 129 HB3 0.23 -0.16 0.14 -0.04 2.70 2.87 2wk8A1 PHE 130 H -0.22 0.49 0.25 -0.55 8.34 8.31 2wk8A1 PHE 130 HA 0.28 0.15 0.37 -0.75 4.62 4.67 2wk8A1 PHE 130 HB2 -0.33 -0.07 0.18 -0.04 3.15 2.89 2wk8A1 PHE 130 HB3 -0.69 -0.00 -0.04 -0.04 3.06 2.29 2wk8A1 PHE 130 HD2 -0.06 -0.03 -0.24 -0.04 7.28 6.91 2wk8A1 PHE 130 HE2 0.06 0.02 -0.11 -0.04 7.38 7.31 2wk8A1 PHE 130 HZ 0.08 0.05 -0.04 -0.04 7.32 7.36 2wk8A1 PHE 131 H 0.07 -0.08 -0.35 -0.55 8.34 7.43 2wk8A1 PHE 131 HA 0.16 0.36 0.88 -0.75 4.62 5.26 2wk8A1 PHE 131 HB2 -0.52 -0.09 0.01 -0.04 3.15 2.52 2wk8A1 PHE 131 HB3 -0.06 -0.09 0.13 -0.04 3.06 2.99 2wk8A1 PHE 131 HD2 -0.81 0.03 -0.01 -0.04 7.28 6.45 2wk8A1 PHE 131 HE2 -0.14 0.04 -0.02 -0.04 7.38 7.22 2wk8A1 PHE 131 HZ -0.11 0.05 -0.02 -0.04 7.32 7.19 2wk8A1 ALA 132 H 0.39 0.52 -0.32 -0.55 8.40 8.45 2wk8A1 ALA 132 HA 0.38 -0.18 0.49 -0.75 4.34 4.27 2wk8A1 ALA 132 HB3 0.07 0.01 -0.01 -0.04 1.41 1.44 2wk8A1 HIS 133 H 0.26 -0.02 0.12 -0.55 8.41 8.22 2wk8A1 HIS 133 HA 0.22 0.18 0.34 -0.75 4.63 4.62 2wk8A1 HIS 133 HB2 0.12 0.02 0.17 -0.04 3.26 3.53 2wk8A1 HIS 133 HB3 0.07 -0.08 0.06 -0.04 3.20 3.20 2wk8A1 HIS 133 HD2 0.21 0.07 0.07 -0.04 6.97 7.28 2wk8A1 HIS 133 HE1 0.51 0.06 0.00 -0.04 7.75 8.28 2wk8A1 MET 134 H -0.54 0.19 0.17 -0.55 8.47 7.74 2wk8A1 MET 134 HA 0.10 0.19 0.36 -0.75 4.52 4.42 2wk8A1 MET 134 HB2 -0.02 0.13 0.13 -0.04 2.15 2.35 2wk8A1 MET 134 HB3 0.07 -0.06 0.09 -0.04 2.03 2.08 2wk8A1 MET 134 HG2 0.26 0.06 -0.04 -0.04 2.63 2.87 2wk8A1 MET 134 HG3 0.28 -0.08 -0.13 -0.04 2.56 2.59 2wk8A1 MET 134 HE3 -0.03 0.02 -0.05 -0.04 2.10 2.01 2wk8A1 SER 135 H -0.00 0.04 -0.26 -0.55 8.46 7.69 2wk8A1 SER 135 HA -1.82 0.12 0.32 -0.75 4.49 2.35 2wk8A1 SER 135 HB2 -0.76 0.09 0.05 -0.04 3.95 3.29 2wk8A1 SER 135 HB3 -0.36 -0.02 0.05 -0.04 3.93 3.56 2wk8A1 LEU 136 H -0.03 0.32 -0.48 -0.55 8.37 7.63 2wk8A1 LEU 136 HA -0.21 0.10 0.43 -0.75 4.35 3.91 2wk8A1 LEU 136 HB2 -0.04 0.16 -0.07 -0.04 1.64 1.65 2wk8A1 LEU 136 HB3 -0.19 0.07 -0.15 -0.04 1.64 1.33 2wk8A1 LEU 136 HG -0.04 -0.14 -0.14 -0.04 1.64 1.27 2wk8A1 LEU 136 HD13 0.02 -0.06 -0.11 -0.04 0.93 0.74 2wk8A1 LEU 136 HD23 -0.10 0.03 -0.13 -0.04 0.89 0.65 2wk8A1 TRP 137 H 0.16 0.31 -0.16 -0.55 7.97 7.73 2wk8A1 TRP 137 HA -0.16 0.09 0.40 -0.75 4.62 4.19 2wk8A1 TRP 137 HB2 -0.12 0.02 0.14 -0.04 3.23 3.22 2wk8A1 TRP 137 HB3 -0.11 0.03 -0.05 -0.04 3.23 3.06 2wk8A1 TRP 137 HD1 -0.04 0.08 -0.40 -0.04 7.22 6.82 2wk8A1 TRP 137 HE1 -0.01 0.07 -0.17 -0.04 10.20 10.05 2wk8A1 TRP 137 HE3 -0.10 -0.01 -0.05 -0.04 7.59 7.39 2wk8A1 TRP 137 HZ2 -0.28 -0.04 -0.08 -0.04 7.44 6.99 2wk8A1 TRP 137 HZ3 -0.13 0.04 -0.06 -0.04 7.13 6.94 2wk8A1 TRP 137 HH2 -0.42 -0.01 -0.05 -0.04 7.19 6.66 2wk8A1 GLU 138 H -0.16 0.67 -0.10 -0.55 8.60 8.46 2wk8A1 GLU 138 HA -0.33 0.07 0.24 -0.75 4.29 3.52 2wk8A1 GLU 138 HB2 -0.57 -0.04 0.05 -0.04 2.09 1.49 2wk8A1 GLU 138 HB3 -0.91 0.00 -0.05 -0.04 1.99 0.99 2wk8A1 GLU 138 HG2 0.05 0.03 -0.00 -0.04 2.34 2.38 2wk8A1 GLU 138 HG3 0.41 -0.06 -0.06 -0.04 2.34 2.59 2wk8A1 GLY 139 H -0.45 0.43 -0.33 -0.55 8.43 7.54 2wk8A1 GLY 139 HA2 -0.26 -0.00 0.35 -0.51 4.01 3.59 2wk8A1 GLY 139 HA3 -0.26 0.07 0.23 -0.51 4.01 3.53 2wk8A1 ALA 140 H -0.24 0.39 -0.33 -0.55 8.40 7.67 2wk8A1 ALA 140 HA -0.15 0.09 0.29 -0.75 4.34 3.81 2wk8A1 ALA 140 HB3 -0.23 0.03 -0.02 -0.04 1.41 1.15 2wk8A1 ARG 141 H -0.17 0.38 -0.25 -0.55 8.46 7.87 2wk8A1 ARG 141 HA -0.03 0.10 0.37 -0.75 4.34 4.03 2wk8A1 ARG 141 HB2 0.02 -0.01 0.04 -0.04 1.90 1.91 2wk8A1 ARG 141 HB3 -0.11 0.01 0.13 -0.04 1.80 1.79 2wk8A1 ARG 141 HG2 0.15 0.03 -0.29 -0.04 1.67 1.52 2wk8A1 ARG 141 HG3 0.06 0.01 0.00 -0.04 1.67 1.71 2wk8A1 ARG 141 HD2 0.08 -0.02 -0.05 -0.04 3.22 3.19 2wk8A1 ARG 141 HD3 0.09 -0.05 -0.06 -0.04 3.22 3.16 2wk8A1 TYR 142 H -0.14 0.69 -0.09 -0.55 8.29 8.20 2wk8A1 TYR 142 HA -0.00 -0.00 0.40 -0.75 4.56 4.20 2wk8A1 TYR 142 HB2 -0.04 0.11 0.08 -0.04 3.06 3.17 2wk8A1 TYR 142 HB3 -0.02 -0.06 0.03 -0.04 2.98 2.89 2wk8A1 TYR 142 HD2 0.04 -0.03 -0.08 -0.04 7.15 7.04 2wk8A1 TYR 142 HE2 0.22 -0.06 -0.08 -0.04 6.85 6.90 2wk8A1 ALA 143 H -0.00 0.27 -0.64 -0.55 8.40 7.48 2wk8A1 ALA 143 HA -0.03 0.07 0.52 -0.75 4.34 4.15 2wk8A1 ALA 143 HB3 -0.07 -0.01 -0.07 -0.04 1.41 1.22 2wk8A1 ASN 144 H 0.01 0.40 -0.55 -0.55 8.53 7.84 2wk8A1 ASN 144 HA -0.02 0.02 0.35 -0.75 4.76 4.35 2wk8A1 ASN 144 HB2 -0.02 0.12 -0.16 -0.04 2.88 2.78 2wk8A1 ASN 144 HB3 -0.02 -0.06 0.24 -0.04 2.79 2.90 2wk8A1 ASN 144 HD21 0.02 -0.09 0.02 -0.04 7.03 6.93 2wk8A1 ASN 144 HD22 0.00 0.01 0.06 -0.04 7.74 7.78 2wk8A1 ALA 145 H -0.08 0.38 -0.15 -0.55 8.40 8.00 2wk8A1 ALA 145 HA -0.10 0.25 0.42 -0.75 4.34 4.15 2wk8A1 ALA 145 HB3 -0.15 -0.02 -0.07 -0.04 1.41 1.12 2wk8A1 GLN 146 H -0.18 0.65 0.02 -0.55 8.47 8.41 2wk8A1 GLN 146 HA -0.24 0.11 0.91 -0.75 4.36 4.39 2wk8A1 GLN 146 HB2 -0.14 0.10 0.01 -0.04 2.15 2.08 2wk8A1 GLN 146 HB3 -0.24 -0.03 0.09 -0.04 2.02 1.81 2wk8A1 GLN 146 HG2 -0.09 -0.02 -0.03 -0.04 2.40 2.22 2wk8A1 GLN 146 HG3 -0.73 -0.04 -0.22 -0.04 2.39 1.36 2wk8A1 GLN 146 HE21 -0.11 -0.08 0.02 -0.04 6.97 6.75 2wk8A1 GLN 146 HE22 -0.31 0.11 -0.09 -0.04 7.69 7.36 2wk8A1 ALA 147 H -0.29 0.22 -0.01 -0.55 8.40 7.78 2wk8A1 ALA 147 HA -0.47 0.19 0.64 -0.75 4.34 3.94 2wk8A1 ALA 147 HB3 -0.30 -0.03 0.00 -0.04 1.41 1.05 2wk8A1 HIS 148 H -0.38 0.71 0.30 -0.55 8.41 8.49 2wk8A1 HIS 148 HA -0.13 0.20 0.81 -0.75 4.63 4.75 2wk8A1 HIS 148 HB2 -0.06 -0.11 0.09 -0.04 3.26 3.15 2wk8A1 HIS 148 HB3 -0.02 -0.00 -0.01 -0.04 3.20 3.13 2wk8A1 HIS 148 HD2 -0.93 -0.11 -0.15 -0.04 6.97 5.73 2wk8A1 HIS 148 HE1 -0.60 -0.02 -0.09 -0.04 7.75 6.99 2wk8A1 PRO 149 HA -0.41 0.30 0.58 -0.51 4.44 4.40 2wk8A1 PRO 149 HB2 -1.70 -0.06 -0.08 -0.04 2.28 0.40 2wk8A1 PRO 149 HB3 -0.63 0.02 -0.00 -0.04 2.02 1.37 2wk8A1 PRO 149 HG2 -0.09 0.01 0.03 -0.04 2.03 1.94 2wk8A1 PRO 149 HG3 0.13 0.04 -0.03 -0.04 2.03 2.13 2wk8A1 PRO 149 HD2 -0.00 0.08 0.14 -0.04 3.68 3.86 2wk8A1 PRO 149 HD3 -0.06 0.29 -0.02 -0.04 3.65 3.82 2wk8A1 PHE 150 H -0.53 0.31 0.19 -0.55 8.34 7.76 2wk8A1 PHE 150 HA -0.20 0.24 0.91 -0.75 4.62 4.82 2wk8A1 PHE 150 HB2 -0.13 -0.06 0.01 -0.04 3.15 2.92 2wk8A1 PHE 150 HB3 -0.28 0.12 -0.13 -0.04 3.06 2.73 2wk8A1 PHE 150 HD2 0.01 0.20 -0.18 -0.04 7.28 7.27 2wk8A1 PHE 150 HE2 0.03 0.01 -0.22 -0.04 7.38 7.15 2wk8A1 PHE 150 HZ 0.06 -0.03 -0.09 -0.04 7.32 7.23 2wk8A1 MET 151 H 0.98 0.15 0.11 -0.55 8.47 9.16 2wk8A1 MET 151 HA 0.39 0.05 0.46 -0.75 4.52 4.67 2wk8A1 MET 151 HB2 0.32 -0.05 0.11 -0.04 2.15 2.48 2wk8A1 MET 151 HB3 0.18 0.07 -0.00 -0.04 2.03 2.24 2wk8A1 MET 151 HG2 0.07 0.02 0.06 -0.04 2.63 2.74 2wk8A1 MET 151 HG3 0.22 0.03 0.07 -0.04 2.56 2.84 2wk8A1 MET 151 HE3 -0.20 -0.01 0.03 -0.04 2.10 1.88 2wk8A1 HIS 152 H 0.16 0.15 0.17 -0.55 8.41 8.34 2wk8A1 HIS 152 HA -0.03 -0.12 0.31 -0.75 4.63 4.04 2wk8A1 HIS 152 HB2 0.04 0.01 0.14 -0.04 3.26 3.41 2wk8A1 HIS 152 HB3 0.15 0.09 0.11 -0.04 3.20 3.50 2wk8A1 HIS 152 HD2 0.07 0.09 -0.09 -0.04 6.97 7.00 2wk8A1 HIS 152 HE1 -2.03 -0.05 -0.12 -0.04 7.75 5.50 2wk8A1 ASN 153 H 0.01 0.04 0.15 -0.55 8.53 8.18 2wk8A1 ASN 153 HA 0.10 -0.03 0.33 -0.75 4.76 4.41 2wk8A1 ASN 153 HB2 -0.26 0.18 -0.29 -0.04 2.88 2.47 2wk8A1 ASN 153 HB3 -0.08 0.03 0.22 -0.04 2.79 2.92 2wk8A1 ASN 153 HD21 -0.28 -0.10 -0.26 -0.04 7.03 6.36 2wk8A1 ASN 153 HD22 -0.35 0.09 -0.14 -0.04 7.74 7.30 2wk8A1 ASN 154 H 0.36 0.49 -0.42 -0.55 8.53 8.41 2wk8A1 ASN 154 HA 0.09 0.15 0.81 -0.75 4.76 5.05 2wk8A1 ASN 154 HB2 0.18 0.14 -0.20 -0.04 2.88 2.96 2wk8A1 ASN 154 HB3 0.31 -0.05 0.09 -0.04 2.79 3.10 2wk8A1 ASN 154 HD21 0.06 0.04 -0.00 -0.04 7.03 7.09 2wk8A1 ASN 154 HD22 0.10 0.06 -0.03 -0.04 7.74 7.82 2wk8A1 CYS 155 H 0.02 0.29 0.14 -0.55 8.50 8.40 2wk8A1 CYS 155 HA -0.18 0.08 0.28 -0.75 4.58 4.02 2wk8A1 CYS 155 HB2 -0.01 0.02 0.11 -0.04 2.97 3.04 2wk8A1 CYS 155 HB3 -0.05 0.06 -0.05 -0.04 2.97 2.89 2wk8A1 ASP 156 H 0.02 0.10 -0.06 -0.55 8.40 7.90 2wk8A1 ASP 156 HA -0.00 0.13 0.42 -0.75 4.63 4.42 2wk8A1 ASP 156 HB2 0.05 -0.07 0.07 -0.04 2.71 2.72 2wk8A1 ASP 156 HB3 0.03 0.09 0.01 -0.04 2.70 2.79 2wk8A1 HIS 157 H 0.14 0.06 -0.23 -0.55 8.41 7.84 2wk8A1 HIS 157 HA 0.01 0.09 0.35 -0.75 4.63 4.32 2wk8A1 HIS 157 HB2 0.08 -0.01 0.09 -0.04 3.26 3.39 2wk8A1 HIS 157 HB3 0.14 0.06 0.11 -0.04 3.20 3.46 2wk8A1 HIS 157 HD2 0.06 0.00 0.05 -0.04 6.97 7.04 2wk8A1 HIS 157 HE1 0.25 0.12 0.05 -0.04 7.75 8.13 2wk8A1 LEU 158 H -0.15 0.39 -0.20 -0.55 8.37 7.87 2wk8A1 LEU 158 HA -0.43 0.03 0.38 -0.75 4.35 3.58 2wk8A1 LEU 158 HB2 -1.23 -0.05 0.04 -0.04 1.64 0.35 2wk8A1 LEU 158 HB3 -0.43 0.13 0.14 -0.04 1.64 1.43 2wk8A1 LEU 158 HG -0.45 0.06 -0.32 -0.04 1.64 0.90 2wk8A1 LEU 158 HD13 -0.56 -0.01 -0.06 -0.04 0.93 0.26 2wk8A1 LEU 158 HD23 -0.53 -0.03 -0.10 -0.04 0.89 0.19 2wk8A1 ARG 159 H -0.18 0.62 -0.14 -0.55 8.46 8.21 2wk8A1 ARG 159 HA -0.40 -0.00 0.28 -0.75 4.34 3.46 2wk8A1 ARG 159 HB2 -0.06 0.14 0.26 -0.04 1.90 2.20 2wk8A1 ARG 159 HB3 -0.03 -0.01 -0.03 -0.04 1.80 1.69 2wk8A1 ARG 159 HG2 0.19 0.01 0.01 -0.04 1.67 1.84 2wk8A1 ARG 159 HG3 -0.02 -0.02 0.02 -0.04 1.67 1.60 2wk8A1 ARG 159 HD2 0.02 -0.07 -0.05 -0.04 3.22 3.07 2wk8A1 ARG 159 HD3 0.08 0.03 -0.03 -0.04 3.22 3.26 2wk8A1 MET 160 H -0.08 0.51 -0.12 -0.55 8.47 8.23 2wk8A1 MET 160 HA -0.08 0.02 0.39 -0.75 4.52 4.10 2wk8A1 MET 160 HB2 0.08 0.09 0.12 -0.04 2.15 2.39 2wk8A1 MET 160 HB3 0.02 -0.02 0.01 -0.04 2.03 2.00 2wk8A1 MET 160 HG2 0.02 0.20 -0.02 -0.04 2.63 2.79 2wk8A1 MET 160 HG3 0.05 -0.07 -0.05 -0.04 2.56 2.45 2wk8A1 MET 160 HE3 -0.00 0.00 0.01 -0.04 2.10 2.06 2wk8A1 LEU 161 H -0.18 0.55 -0.18 -0.55 8.37 8.01 2wk8A1 LEU 161 HA -0.02 0.00 0.38 -0.75 4.35 3.97 2wk8A1 LEU 161 HB2 -0.24 0.11 0.15 -0.04 1.64 1.62 2wk8A1 LEU 161 HB3 0.12 -0.02 -0.05 -0.04 1.64 1.66 2wk8A1 LEU 161 HG -0.25 0.16 0.01 -0.04 1.64 1.51 2wk8A1 LEU 161 HD13 -0.22 -0.02 -0.24 -0.04 0.93 0.40 2wk8A1 LEU 161 HD23 0.11 -0.01 -0.04 -0.04 0.89 0.90 2wk8A1 ILE 162 H -0.53 0.49 -0.12 -0.55 8.25 7.54 2wk8A1 ILE 162 HA -0.42 0.10 0.30 -0.75 4.18 3.40 2wk8A1 ILE 162 HB -1.05 0.05 -0.01 -0.04 1.89 0.83 2wk8A1 ILE 162 HG12 -1.88 -0.00 -0.11 -0.04 1.49 -0.55 2wk8A1 ILE 162 HG13 -0.94 0.19 -0.00 -0.04 1.21 0.41 2wk8A1 ILE 162 HG23 -0.38 0.05 -0.21 -0.04 0.93 0.35 2wk8A1 ILE 162 HD13 -0.53 -0.04 -0.18 -0.04 0.88 0.09 2wk8A1 GLN 163 H -0.40 0.48 -0.20 -0.55 8.47 7.80 2wk8A1 GLN 163 HA -0.11 0.01 0.43 -0.75 4.36 3.94 2wk8A1 GLN 163 HB2 -0.15 0.10 0.22 -0.04 2.15 2.27 2wk8A1 GLN 163 HB3 -0.07 -0.04 -0.03 -0.04 2.02 1.84 2wk8A1 GLN 163 HG2 -0.05 0.02 0.02 -0.04 2.40 2.35 2wk8A1 GLN 163 HG3 0.01 -0.10 -0.02 -0.04 2.39 2.23 2wk8A1 GLN 163 HE21 0.05 -0.02 -0.00 -0.04 6.97 6.96 2wk8A1 GLN 163 HE22 0.05 -0.05 -0.02 -0.04 7.69 7.63 2wk8A1 ARG 164 H -0.17 0.39 -0.30 -0.55 8.46 7.83 2wk8A1 ARG 164 HA -0.18 0.00 0.44 -0.75 4.34 3.85 2wk8A1 ARG 164 HB2 -0.19 -0.10 0.09 -0.04 1.90 1.66 2wk8A1 ARG 164 HB3 -0.27 0.13 0.20 -0.04 1.80 1.82 2wk8A1 ARG 164 HG2 -0.45 -0.09 -0.02 -0.04 1.67 1.07 2wk8A1 ARG 164 HG3 -1.54 0.07 -0.28 -0.04 1.67 -0.12 2wk8A1 ARG 164 HD2 -0.22 0.04 0.11 -0.04 3.22 3.10 2wk8A1 ARG 164 HD3 -0.17 -0.08 0.01 -0.04 3.22 2.94 2wk8A1 HIS 165 H -0.06 0.39 0.03 -0.55 8.41 8.22 2wk8A1 HIS 165 HA -0.03 0.19 0.93 -0.75 4.63 4.96 2wk8A1 HIS 165 HB2 -0.12 0.02 0.00 -0.04 3.26 3.12 2wk8A1 HIS 165 HB3 -0.08 -0.02 0.08 -0.04 3.20 3.13 2wk8A1 HIS 165 HD2 -0.30 0.08 0.03 -0.04 6.97 6.73 2wk8A1 HIS 165 HE1 0.00 -0.05 -0.04 -0.04 7.75 7.62 2wk8A1 GLY 166 H 0.03 0.51 0.07 -0.55 8.43 8.50 2wk8A1 GLY 166 HA2 0.05 0.02 0.31 -0.51 4.01 3.88 2wk8A1 GLY 166 HA3 0.08 0.13 0.70 -0.51 4.01 4.40 2wk8A1 PRO 167 HA 0.11 -0.01 0.24 -0.51 4.44 4.28 2wk8A1 PRO 167 HB2 0.06 -0.00 0.06 -0.04 2.28 2.36 2wk8A1 PRO 167 HB3 0.07 0.18 0.18 -0.04 2.02 2.41 2wk8A1 PRO 167 HG2 0.06 -0.02 0.12 -0.04 2.03 2.14 2wk8A1 PRO 167 HG3 0.05 -0.01 0.12 -0.04 2.03 2.15 2wk8A1 PRO 167 HD2 0.06 0.10 0.26 -0.04 3.68 4.07 2wk8A1 PRO 167 HD3 0.07 0.13 0.22 -0.04 3.65 4.03 2wk8A1 GLY 168 H 0.16 0.15 0.23 -0.55 8.43 8.42 2wk8A1 GLY 168 HA2 0.05 0.07 0.50 -0.51 4.01 4.12 2wk8A1 GLY 168 HA3 0.14 0.09 0.38 -0.51 4.01 4.11 2wk8A1 ILE 169 H -0.01 0.71 0.35 -0.55 8.25 8.75 2wk8A1 ILE 169 HA 0.08 0.16 0.99 -0.75 4.18 4.65 2wk8A1 ILE 169 HB -0.05 -0.04 0.12 -0.04 1.89 1.89 2wk8A1 ILE 169 HG12 0.03 -0.02 -0.10 -0.04 1.49 1.36 2wk8A1 ILE 169 HG13 -0.01 0.02 -0.07 -0.04 1.21 1.11 2wk8A1 ILE 169 HG23 0.03 -0.03 -0.26 -0.04 0.93 0.63 2wk8A1 ILE 169 HD13 -0.07 0.02 -0.15 -0.04 0.88 0.64 2wk8A1 ILE 170 H 0.12 0.80 0.41 -0.55 8.25 9.02 2wk8A1 ILE 170 HA 0.18 0.28 1.04 -0.75 4.18 4.93 2wk8A1 ILE 170 HB 0.09 -0.08 0.13 -0.04 1.89 1.99 2wk8A1 ILE 170 HG12 0.03 0.03 -0.11 -0.04 1.49 1.40 2wk8A1 ILE 170 HG13 0.10 0.06 -0.12 -0.04 1.21 1.21 2wk8A1 ILE 170 HG23 0.09 -0.02 -0.11 -0.04 0.93 0.84 2wk8A1 ILE 170 HD13 -0.03 -0.01 -0.12 -0.04 0.88 0.68 2wk8A1 VAL 171 H 0.13 0.77 0.33 -0.55 8.24 8.92 2wk8A1 VAL 171 HA 0.05 0.28 1.10 -0.75 4.13 4.81 2wk8A1 VAL 171 HB -0.12 -0.02 -0.02 -0.04 2.12 1.92 2wk8A1 VAL 171 HG13 -0.08 -0.04 -0.19 -0.04 0.97 0.62 2wk8A1 VAL 171 HG23 -0.07 0.04 -0.36 -0.04 0.95 0.52 2wk8A1 VAL 172 H 0.07 0.71 0.39 -0.55 8.24 8.86 2wk8A1 VAL 172 HA 0.15 0.05 0.83 -0.75 4.13 4.40 2wk8A1 VAL 172 HB 0.24 0.06 0.06 -0.04 2.12 2.44 2wk8A1 VAL 172 HG13 0.32 -0.00 -0.25 -0.04 0.97 1.00 2wk8A1 VAL 172 HG23 0.09 -0.01 -0.22 -0.04 0.95 0.77 2wk8A1 ASP 173 H -0.20 0.14 0.14 -0.55 8.40 7.92 2wk8A1 ASP 173 HA -0.14 0.10 0.91 -0.75 4.63 4.75 2wk8A1 ASP 173 HB2 -1.82 -0.01 -0.08 -0.04 2.71 0.76 2wk8A1 ASP 173 HB3 -0.45 0.20 -0.21 -0.04 2.70 2.20 2wk8A1 SER 174 H -0.09 0.48 0.09 -0.55 8.46 8.39 2wk8A1 SER 174 HA -0.03 0.08 0.54 -0.75 4.49 4.33 2wk8A1 SER 174 HB2 -0.07 0.03 0.01 -0.04 3.95 3.88 2wk8A1 SER 174 HB3 -0.05 -0.01 -0.01 -0.04 3.93 3.82 2wk8A1 ILE 175 H -0.08 0.06 0.01 -0.55 8.25 7.70 2wk8A1 ILE 175 HA 0.04 0.45 0.92 -0.75 4.18 4.82 2wk8A1 ILE 175 HB 0.00 -0.19 -0.10 -0.04 1.89 1.56 2wk8A1 ILE 175 HG12 -0.09 0.16 -0.15 -0.04 1.49 1.37 2wk8A1 ILE 175 HG13 -0.15 -0.23 -0.45 -0.04 1.21 0.34 2wk8A1 ILE 175 HG23 -0.02 0.07 -0.25 -0.04 0.93 0.69 2wk8A1 ILE 175 HD13 -0.43 0.02 -0.15 -0.04 0.88 0.27 2wk8A1 TYR 176 H 0.26 0.69 0.08 -0.55 8.29 8.78 2wk8A1 TYR 176 HA 0.08 0.03 0.45 -0.75 4.56 4.37 2wk8A1 TYR 176 HB2 0.07 -0.04 0.07 -0.04 3.06 3.13 2wk8A1 TYR 176 HB3 -0.00 -0.06 0.02 -0.04 2.98 2.90 2wk8A1 TYR 176 HD2 0.19 0.25 -0.22 -0.04 7.15 7.33 2wk8A1 TYR 176 HE2 0.19 0.01 -0.28 -0.04 6.85 6.73 2wk8A1 SER 177 H 0.09 0.14 0.19 -0.55 8.46 8.34 2wk8A1 SER 177 HA -0.56 0.14 0.13 -0.75 4.49 3.44 2wk8A1 SER 177 HB2 0.03 0.10 0.05 -0.04 3.95 4.09 2wk8A1 SER 177 HB3 0.16 -0.07 0.11 -0.04 3.93 4.09 2wk8A1 THR 178 H -0.09 -0.07 -0.16 -0.55 8.28 7.41 2wk8A1 THR 178 HA -0.52 0.24 0.63 -0.75 4.39 4.00 2wk8A1 THR 178 HB -0.23 -0.11 0.07 -0.04 4.32 4.02 2wk8A1 THR 178 HG23 -0.25 0.03 -0.22 -0.04 1.22 0.74 2wk8A1 LEU 179 H -0.15 -0.11 -0.11 -0.55 8.37 7.45 2wk8A1 LEU 179 HA -0.14 0.24 0.47 -0.75 4.35 4.17 2wk8A1 LEU 179 HB2 -0.24 -0.13 0.01 -0.04 1.64 1.24 2wk8A1 LEU 179 HB3 -0.13 0.04 -0.04 -0.04 1.64 1.47 2wk8A1 LEU 179 HG -0.53 -0.05 -0.10 -0.04 1.64 0.91 2wk8A1 LEU 179 HD13 -0.62 0.01 -0.04 -0.04 0.93 0.23 2wk8A1 LEU 179 HD23 -0.18 0.05 -0.12 -0.04 0.89 0.59 2wk8A1 GLY 180 H -0.02 0.28 -0.17 -0.55 8.43 7.96 2wk8A1 GLY 180 HA2 -0.02 0.05 0.23 -0.51 4.01 3.76 2wk8A1 GLY 180 HA3 -0.02 0.43 0.34 -0.51 4.01 4.25 2wk8A1 THR 181 H 0.12 -0.12 -0.31 -0.55 8.28 7.41 2wk8A1 THR 181 HA 0.08 0.23 0.52 -0.75 4.39 4.47 2wk8A1 THR 181 HB 0.14 0.07 -0.02 -0.04 4.32 4.46 2wk8A1 THR 181 HG23 0.10 0.11 -0.20 -0.04 1.22 1.20 2wk8A1 ILE 182 H 0.10 0.29 0.13 -0.55 8.25 8.22 2wk8A1 ILE 182 HA 0.13 0.25 1.06 -0.75 4.18 4.86 2wk8A1 ILE 182 HB 0.05 0.02 0.14 -0.04 1.89 2.05 2wk8A1 ILE 182 HG12 0.01 -0.02 -0.27 -0.04 1.49 1.17 2wk8A1 ILE 182 HG13 0.04 -0.01 -0.12 -0.04 1.21 1.08 2wk8A1 ILE 182 HG23 0.02 0.06 -0.03 -0.04 0.93 0.93 2wk8A1 ILE 182 HD13 0.01 0.02 -0.00 -0.04 0.88 0.87 2wk8A1 ALA 183 H 0.16 0.59 0.29 -0.55 8.40 8.89 2wk8A1 ALA 183 HA 0.18 0.02 0.40 -0.75 4.34 4.19 2wk8A1 ALA 183 HB3 0.18 0.03 0.09 -0.04 1.41 1.66 2wk8A1 PRO 184 HA 0.03 0.18 0.72 -0.51 4.44 4.85 2wk8A1 PRO 184 HB2 0.02 -0.09 0.22 -0.04 2.28 2.39 2wk8A1 PRO 184 HB3 0.02 0.16 0.18 -0.04 2.02 2.33 2wk8A1 PRO 184 HG2 0.04 -0.05 0.07 -0.04 2.03 2.05 2wk8A1 PRO 184 HG3 0.04 0.14 0.07 -0.04 2.03 2.23 2wk8A1 PRO 184 HD2 0.12 -0.01 0.18 -0.04 3.68 3.94 2wk8A1 PRO 184 HD3 0.03 0.25 0.20 -0.04 3.65 4.09 2wk8A1 LEU 185 H 0.03 0.45 -0.10 -0.55 8.37 8.20 2wk8A1 LEU 185 HA 0.04 0.04 0.02 -0.75 4.35 3.70 2wk8A1 LEU 185 HB2 0.01 0.05 0.01 -0.04 1.64 1.68 2wk8A1 LEU 185 HB3 0.02 0.03 -0.12 -0.04 1.64 1.53 2wk8A1 LEU 185 HG 0.04 0.10 -0.12 -0.04 1.64 1.62 2wk8A1 LEU 185 HD13 -0.00 -0.01 -0.09 -0.04 0.93 0.79 2wk8A1 LEU 185 HD23 0.04 -0.01 -0.15 -0.04 0.89 0.73 2wk8A1 ALA 186 H 0.01 0.12 -0.11 -0.55 8.40 7.87 2wk8A1 ALA 186 HA -0.01 0.14 0.45 -0.75 4.34 4.18 2wk8A1 ALA 186 HB3 -0.00 0.03 0.05 -0.04 1.41 1.45 2wk8A1 GLU 187 H 0.00 0.09 -0.20 -0.55 8.60 7.95 2wk8A1 GLU 187 HA -0.01 0.10 0.43 -0.75 4.29 4.06 2wk8A1 GLU 187 HB2 -0.00 0.01 0.09 -0.04 2.09 2.15 2wk8A1 GLU 187 HB3 -0.00 0.08 0.10 -0.04 1.99 2.13 2wk8A1 GLU 187 HG2 -0.02 -0.02 -0.18 -0.04 2.34 2.09 2wk8A1 GLU 187 HG3 -0.01 0.02 0.06 -0.04 2.34 2.37 2wk8A1 LEU 188 H 0.01 0.42 -0.21 -0.55 8.37 8.04 2wk8A1 LEU 188 HA -0.02 0.02 0.34 -0.75 4.35 3.93 2wk8A1 LEU 188 HB2 0.03 0.06 -0.02 -0.04 1.64 1.68 2wk8A1 LEU 188 HB3 0.03 -0.01 -0.09 -0.04 1.64 1.53 2wk8A1 LEU 188 HG 0.02 0.13 -0.05 -0.04 1.64 1.70 2wk8A1 LEU 188 HD13 0.11 -0.05 -0.25 -0.04 0.93 0.70 2wk8A1 LEU 188 HD23 -0.07 -0.01 -0.10 -0.04 0.89 0.67 2wk8A1 VAL 189 H 0.01 0.47 -0.26 -0.55 8.24 7.91 2wk8A1 VAL 189 HA 0.01 0.04 0.48 -0.75 4.13 3.91 2wk8A1 VAL 189 HB -0.01 0.12 0.16 -0.04 2.12 2.35 2wk8A1 VAL 189 HG13 -0.03 0.03 -0.11 -0.04 0.97 0.81 2wk8A1 VAL 189 HG23 -0.01 0.03 -0.02 -0.04 0.95 0.92 2wk8A1 ASN 190 H -0.01 0.39 -0.14 -0.55 8.53 8.22 2wk8A1 ASN 190 HA -0.02 0.06 0.47 -0.75 4.76 4.52 2wk8A1 ASN 190 HB2 -0.01 0.10 0.18 -0.04 2.88 3.11 2wk8A1 ASN 190 HB3 -0.02 -0.02 0.02 -0.04 2.79 2.73 2wk8A1 ASN 190 HD21 -0.02 -0.03 -0.05 -0.04 7.03 6.89 2wk8A1 ASN 190 HD22 -0.01 -0.06 -0.00 -0.04 7.74 7.62 2wk8A1 ILE 191 H 0.01 0.53 -0.09 -0.55 8.25 8.15 2wk8A1 ILE 191 HA 0.11 0.04 0.40 -0.75 4.18 3.97 2wk8A1 ILE 191 HB -0.00 0.05 0.10 -0.04 1.89 2.00 2wk8A1 ILE 191 HG12 0.08 -0.00 -0.01 -0.04 1.49 1.51 2wk8A1 ILE 191 HG13 0.01 0.13 0.04 -0.04 1.21 1.34 2wk8A1 ILE 191 HG23 0.06 -0.00 -0.18 -0.04 0.93 0.77 2wk8A1 ILE 191 HD13 -0.07 -0.04 -0.10 -0.04 0.88 0.62 2wk8A1 SER 192 H 0.04 0.63 -0.16 -0.55 8.46 8.42 2wk8A1 SER 192 HA 0.09 -0.05 0.31 -0.75 4.49 4.08 2wk8A1 SER 192 HB2 0.06 0.02 0.07 -0.04 3.95 4.06 2wk8A1 SER 192 HB3 0.06 0.16 0.10 -0.04 3.93 4.20 2wk8A1 LYS 193 H 0.02 0.46 -0.29 -0.55 8.42 8.04 2wk8A1 LYS 193 HA 0.02 0.05 0.56 -0.75 4.32 4.19 2wk8A1 LYS 193 HB2 -0.03 0.07 0.19 -0.04 1.87 2.06 2wk8A1 LYS 193 HB3 -0.03 -0.05 0.04 -0.04 1.79 1.70 2wk8A1 LYS 193 HG2 -0.01 -0.02 0.05 -0.04 1.46 1.44 2wk8A1 LYS 193 HG3 -0.02 0.18 0.07 -0.04 1.46 1.65 2wk8A1 LYS 193 HD2 -0.03 -0.02 0.02 -0.04 1.69 1.62 2wk8A1 LYS 193 HD3 -0.05 0.00 0.03 -0.04 1.68 1.62 2wk8A1 LYS 193 HE2 -0.04 -0.03 -0.01 -0.04 2.99 2.86 2wk8A1 LYS 193 HE3 -0.04 -0.02 -0.05 -0.04 2.99 2.83 2wk8A1 GLU 194 H -0.06 0.63 0.01 -0.55 8.60 8.63 2wk8A1 GLU 194 HA -0.23 -0.02 0.40 -0.75 4.29 3.68 2wk8A1 GLU 194 HB2 -0.19 0.05 0.13 -0.04 2.09 2.04 2wk8A1 GLU 194 HB3 -0.49 0.05 0.12 -0.04 1.99 1.62 2wk8A1 GLU 194 HG2 -0.89 0.03 -0.01 -0.04 2.34 1.44 2wk8A1 GLU 194 HG3 -0.32 -0.04 0.06 -0.04 2.34 2.00 2wk8A1 PHE 195 H 0.06 0.30 -0.45 -0.55 8.34 7.70 2wk8A1 PHE 195 HA -0.03 0.22 0.85 -0.75 4.62 4.91 2wk8A1 PHE 195 HB2 -0.06 -0.01 -0.07 -0.04 3.15 2.96 2wk8A1 PHE 195 HB3 -0.05 0.01 -0.01 -0.04 3.06 2.97 2wk8A1 PHE 195 HD2 -0.07 0.14 -0.06 -0.04 7.28 7.25 2wk8A1 PHE 195 HE2 -0.07 -0.06 -0.05 -0.04 7.38 7.16 2wk8A1 PHE 195 HZ -0.07 -0.06 -0.05 -0.04 7.32 7.10 2wk8A1 GLY 196 H 0.05 0.30 -0.06 -0.55 8.43 8.17 2wk8A1 GLY 196 HA2 0.05 0.02 0.39 -0.51 4.01 3.97 2wk8A1 GLY 196 HA3 0.05 0.01 0.50 -0.51 4.01 4.07 2wk8A1 CYS 197 H 0.10 0.35 0.09 -0.55 8.50 8.49 2wk8A1 CYS 197 HA 0.06 0.18 0.96 -0.75 4.58 5.03 2wk8A1 CYS 197 HB2 0.08 -0.11 0.05 -0.04 2.97 2.95 2wk8A1 CYS 197 HB3 0.09 0.10 0.19 -0.04 2.97 3.31 2wk8A1 ALA 198 H 0.03 0.52 0.40 -0.55 8.40 8.82 2wk8A1 ALA 198 HA -0.15 0.18 0.92 -0.75 4.34 4.54 2wk8A1 ALA 198 HB3 -0.16 0.00 0.06 -0.04 1.41 1.27 2wk8A1 LEU 199 H 0.39 0.10 0.25 -0.55 8.37 8.56 2wk8A1 LEU 199 HA 0.14 0.23 0.96 -0.75 4.35 4.93 2wk8A1 LEU 199 HB2 0.16 0.08 0.11 -0.04 1.64 1.95 2wk8A1 LEU 199 HB3 0.13 -0.09 0.04 -0.04 1.64 1.68 2wk8A1 LEU 199 HG 0.08 0.09 -0.13 -0.04 1.64 1.63 2wk8A1 LEU 199 HD13 0.06 -0.01 -0.15 -0.04 0.93 0.79 2wk8A1 LEU 199 HD23 0.10 0.00 -0.11 -0.04 0.89 0.84 2wk8A1 LEU 200 H 0.13 0.76 0.33 -0.55 8.37 9.05 2wk8A1 LEU 200 HA 0.24 0.21 0.85 -0.75 4.35 4.88 2wk8A1 LEU 200 HB2 0.17 0.07 -0.16 -0.04 1.64 1.67 2wk8A1 LEU 200 HB3 0.06 0.02 0.10 -0.04 1.64 1.77 2wk8A1 LEU 200 HG 0.05 0.02 -0.15 -0.04 1.64 1.53 2wk8A1 LEU 200 HD13 -0.08 0.00 -0.15 -0.04 0.93 0.66 2wk8A1 LEU 200 HD23 0.02 -0.03 -0.39 -0.04 0.89 0.45 2wk8A1 VAL 201 H 0.11 0.56 0.18 -0.55 8.24 8.53 2wk8A1 VAL 201 HA 0.04 0.28 1.07 -0.75 4.13 4.77 2wk8A1 VAL 201 HB 0.04 0.05 0.16 -0.04 2.12 2.33 2wk8A1 VAL 201 HG13 -0.01 -0.05 -0.26 -0.04 0.97 0.62 2wk8A1 VAL 201 HG23 0.07 0.02 -0.20 -0.04 0.95 0.80 2wk8A1 ASP 202 H -0.01 0.79 0.42 -0.55 8.40 9.05 2wk8A1 ASP 202 HA -0.00 0.21 0.95 -0.75 4.63 5.03 2wk8A1 ASP 202 HB2 -0.01 0.11 0.07 -0.04 2.71 2.83 2wk8A1 ASP 202 HB3 -0.03 -0.06 0.34 -0.04 2.70 2.91 2wk8A1 GLU 203 H -0.04 0.76 0.37 -0.55 8.60 9.14 2wk8A1 GLU 203 HA -0.04 0.01 0.81 -0.75 4.29 4.32 2wk8A1 GLU 203 HB2 -0.14 0.22 0.18 -0.04 2.09 2.31 2wk8A1 GLU 203 HB3 -0.07 -0.14 0.27 -0.04 1.99 2.01 2wk8A1 GLU 203 HG2 -0.06 -0.07 -0.09 -0.04 2.34 2.07 2wk8A1 GLU 203 HG3 -0.12 0.19 0.02 -0.04 2.34 2.38 2wk8A1 SER 204 H -0.03 0.15 -0.29 -0.55 8.46 7.75 2wk8A1 SER 204 HA -0.02 0.14 0.47 -0.75 4.49 4.32 2wk8A1 SER 204 HB2 -0.17 0.06 0.14 -0.04 3.95 3.95 2wk8A1 SER 204 HB3 -0.29 0.09 0.13 -0.04 3.93 3.82 2wk8A1 HIS 205 H 0.05 0.02 -0.22 -0.55 8.41 7.72 2wk8A1 HIS 205 HA 0.25 0.27 0.91 -0.75 4.63 5.30 2wk8A1 HIS 205 HB2 -0.00 0.01 -0.00 -0.04 3.26 3.23 2wk8A1 HIS 205 HB3 0.00 0.08 0.08 -0.04 3.20 3.32 2wk8A1 HIS 205 HD2 0.02 -0.02 0.01 -0.04 6.97 6.94 2wk8A1 HIS 205 HE1 0.17 0.08 -0.03 -0.04 7.75 7.92 2wk8A1 SER 206 H 0.03 0.24 -0.13 -0.55 8.46 8.06 2wk8A1 SER 206 HA 0.03 0.29 0.91 -0.75 4.49 4.97 2wk8A1 SER 206 HB2 -0.21 -0.06 0.04 -0.04 3.95 3.67 2wk8A1 SER 206 HB3 -0.29 0.09 -0.11 -0.04 3.93 3.58 2wk8A1 LEU 207 H 0.06 0.51 0.23 -0.55 8.37 8.62 2wk8A1 LEU 207 HA 0.09 0.08 0.43 -0.75 4.35 4.19 2wk8A1 LEU 207 HB2 0.05 0.02 0.17 -0.04 1.64 1.84 2wk8A1 LEU 207 HB3 0.26 -0.03 0.06 -0.04 1.64 1.89 2wk8A1 LEU 207 HG -0.17 -0.05 -0.03 -0.04 1.64 1.35 2wk8A1 LEU 207 HD13 0.22 -0.02 -0.11 -0.04 0.93 0.98 2wk8A1 LEU 207 HD23 0.35 0.04 -0.08 -0.04 0.89 1.15 2wk8A1 GLY 208 H 0.22 0.72 0.28 -0.55 8.43 9.10 2wk8A1 GLY 208 HA2 0.19 0.16 0.42 -0.51 4.01 4.27 2wk8A1 GLY 208 HA3 0.14 0.01 0.52 -0.51 4.01 4.16 2wk8A1 THR 209 H 0.19 0.25 -0.64 -0.55 8.28 7.54 2wk8A1 THR 209 HA 0.04 0.19 0.70 -0.75 4.39 4.56 2wk8A1 THR 209 HB -0.08 -0.01 0.03 -0.04 4.32 4.22 2wk8A1 THR 209 HG23 0.07 -0.00 -0.09 -0.04 1.22 1.15 2wk8A1 HIS 210 H 0.18 0.25 0.01 -0.55 8.41 8.30 2wk8A1 HIS 210 HA 0.00 0.23 0.83 -0.75 4.63 4.94 2wk8A1 HIS 210 HB2 -0.00 -0.09 -0.06 -0.04 3.26 3.07 2wk8A1 HIS 210 HB3 -0.01 -0.02 -0.10 -0.04 3.20 3.03 2wk8A1 HIS 210 HD2 -0.01 0.02 -0.01 -0.04 6.97 6.93 2wk8A1 HIS 210 HE1 -0.08 -0.00 0.01 -0.04 7.75 7.63 2wk8A1 GLY 211 H 0.05 0.15 0.05 -0.55 8.43 8.15 2wk8A1 GLY 211 HA2 0.01 0.08 0.32 -0.51 4.01 3.90 2wk8A1 GLY 211 HA3 -0.01 0.14 0.42 -0.51 4.01 4.05 2wk8A1 PRO 212 HA 0.00 0.05 0.50 -0.51 4.44 4.49 2wk8A1 PRO 212 HB2 -0.03 0.09 0.08 -0.04 2.28 2.38 2wk8A1 PRO 212 HB3 -0.01 0.07 0.08 -0.04 2.02 2.12 2wk8A1 PRO 212 HG2 -0.04 0.12 0.01 -0.04 2.03 2.08 2wk8A1 PRO 212 HG3 -0.02 0.08 0.05 -0.04 2.03 2.09 2wk8A1 PRO 212 HD2 -0.07 0.08 0.05 -0.04 3.68 3.71 2wk8A1 PRO 212 HD3 -0.03 0.08 0.05 -0.04 3.65 3.71 2wk8A1 ASN 213 H 0.03 0.15 0.21 -0.55 8.53 8.37 2wk8A1 ASN 213 HA 0.08 0.11 0.35 -0.75 4.76 4.55 2wk8A1 ASN 213 HB2 0.15 0.21 0.02 -0.04 2.88 3.22 2wk8A1 ASN 213 HB3 0.22 -0.01 0.26 -0.04 2.79 3.22 2wk8A1 ASN 213 HD21 0.06 -0.03 -0.04 -0.04 7.03 6.97 2wk8A1 ASN 213 HD22 0.10 0.05 -0.06 -0.04 7.74 7.79 2wk8A1 GLY 214 H 0.06 0.32 -0.72 -0.55 8.43 7.54 2wk8A1 GLY 214 HA2 0.09 0.07 -0.10 -0.51 4.01 3.56 2wk8A1 GLY 214 HA3 0.19 0.16 0.31 -0.51 4.01 4.15 2wk8A1 ALA 215 H -0.10 0.37 -0.46 -0.55 8.40 7.66 2wk8A1 ALA 215 HA -1.13 0.07 0.30 -0.75 4.34 2.83 2wk8A1 ALA 215 HB3 -0.47 0.02 0.12 -0.04 1.41 1.04 2wk8A1 GLY 216 H -0.03 0.50 -0.42 -0.55 8.43 7.94 2wk8A1 GLY 216 HA2 0.02 0.14 0.04 -0.51 4.01 3.70 2wk8A1 GLY 216 HA3 -0.09 0.10 0.58 -0.51 4.01 4.09 2wk8A1 LEU 217 H -0.05 0.10 0.01 -0.55 8.37 7.88 2wk8A1 LEU 217 HA 0.00 0.13 0.36 -0.75 4.35 4.09 2wk8A1 LEU 217 HB2 -0.08 -0.10 0.09 -0.04 1.64 1.51 2wk8A1 LEU 217 HB3 -0.04 0.06 -0.08 -0.04 1.64 1.54 2wk8A1 LEU 217 HG -0.23 -0.01 -0.04 -0.04 1.64 1.32 2wk8A1 LEU 217 HD13 -0.17 0.01 -0.09 -0.04 0.93 0.64 2wk8A1 LEU 217 HD23 0.01 0.03 0.00 -0.04 0.89 0.89 2wk8A1 LEU 218 H -0.04 0.10 -0.10 -0.55 8.37 7.77 2wk8A1 LEU 218 HA -0.02 0.09 0.42 -0.75 4.35 4.08 2wk8A1 LEU 218 HB2 -0.00 0.05 -0.01 -0.04 1.64 1.64 2wk8A1 LEU 218 HB3 -0.00 0.06 -0.18 -0.04 1.64 1.48 2wk8A1 LEU 218 HG 0.00 -0.13 -0.05 -0.04 1.64 1.43 2wk8A1 LEU 218 HD13 0.14 0.04 -0.09 -0.04 0.93 0.97 2wk8A1 LEU 218 HD23 0.01 0.02 -0.15 -0.04 0.89 0.73 2wk8A1 ALA 219 H -0.07 0.15 -0.46 -0.55 8.40 7.48 2wk8A1 ALA 219 HA -0.08 0.05 0.49 -0.75 4.34 4.05 2wk8A1 ALA 219 HB3 -0.12 0.09 -0.04 -0.04 1.41 1.29 2wk8A1 GLU 220 H -0.03 0.36 -0.15 -0.55 8.60 8.24 2wk8A1 GLU 220 HA -0.02 0.06 0.43 -0.75 4.29 4.01 2wk8A1 GLU 220 HB2 0.02 -0.10 0.12 -0.04 2.09 2.09 2wk8A1 GLU 220 HB3 0.01 0.06 0.14 -0.04 1.99 2.16 2wk8A1 GLU 220 HG2 0.01 0.07 -0.18 -0.04 2.34 2.20 2wk8A1 GLU 220 HG3 0.01 -0.00 0.07 -0.04 2.34 2.38 2wk8A1 LEU 221 H -0.02 0.31 -0.35 -0.55 8.37 7.77 2wk8A1 LEU 221 HA -0.01 0.18 0.62 -0.75 4.35 4.38 2wk8A1 LEU 221 HB2 -0.02 -0.06 0.01 -0.04 1.64 1.53 2wk8A1 LEU 221 HB3 -0.01 -0.02 0.11 -0.04 1.64 1.68 2wk8A1 LEU 221 HG -0.00 0.17 0.03 -0.04 1.64 1.79 2wk8A1 LEU 221 HD13 -0.00 -0.05 -0.05 -0.04 0.93 0.79 2wk8A1 LEU 221 HD23 0.00 0.02 -0.07 -0.04 0.89 0.80 2wk8A1 GLY 222 H -0.04 0.33 -0.55 -0.55 8.43 7.63 2wk8A1 GLY 222 HA2 -0.05 0.04 0.33 -0.51 4.01 3.82 2wk8A1 GLY 222 HA3 -0.04 0.07 0.36 -0.51 4.01 3.89 2wk8A1 LEU 223 H -0.05 0.54 -0.06 -0.55 8.37 8.25 2wk8A1 LEU 223 HA -0.07 0.23 0.62 -0.75 4.35 4.38 2wk8A1 LEU 223 HB2 -0.03 -0.08 -0.03 -0.04 1.64 1.45 2wk8A1 LEU 223 HB3 -0.04 -0.02 -0.02 -0.04 1.64 1.52 2wk8A1 LEU 223 HG -0.03 0.12 -0.30 -0.04 1.64 1.39 2wk8A1 LEU 223 HD13 -0.01 -0.03 -0.23 -0.04 0.93 0.63 2wk8A1 LEU 223 HD23 -0.03 0.03 -0.08 -0.04 0.89 0.77 2wk8A1 THR 224 H -0.11 0.19 -0.23 -0.55 8.28 7.59 2wk8A1 THR 224 HA -0.22 -0.04 0.09 -0.75 4.39 3.46 2wk8A1 THR 224 HB -0.18 0.00 -0.00 -0.04 4.32 4.10 2wk8A1 THR 224 HG23 -0.44 0.02 -0.30 -0.04 1.22 0.46 2wk8A1 ARG 225 H -0.17 0.13 -0.25 -0.55 8.46 7.62 2wk8A1 ARG 225 HA -0.26 0.12 0.39 -0.75 4.34 3.83 2wk8A1 ARG 225 HB2 -0.12 0.01 -0.01 -0.04 1.90 1.74 2wk8A1 ARG 225 HB3 -0.13 0.02 0.08 -0.04 1.80 1.74 2wk8A1 ARG 225 HG2 -0.14 -0.07 -0.00 -0.04 1.67 1.42 2wk8A1 ARG 225 HG3 -0.10 0.01 0.01 -0.04 1.67 1.55 2wk8A1 ARG 225 HD2 -0.16 0.04 0.02 -0.04 3.22 3.07 2wk8A1 ARG 225 HD3 -0.10 0.03 0.01 -0.04 3.22 3.11 2wk8A1 GLU 226 H -0.17 0.57 -0.50 -0.55 8.60 7.95 2wk8A1 GLU 226 HA -0.16 0.16 0.64 -0.75 4.29 4.18 2wk8A1 GLU 226 HB2 -0.09 0.08 0.06 -0.04 2.09 2.10 2wk8A1 GLU 226 HB3 -0.09 -0.05 0.11 -0.04 1.99 1.92 2wk8A1 GLU 226 HG2 -0.10 -0.09 -0.20 -0.04 2.34 1.91 2wk8A1 GLU 226 HG3 -0.07 0.00 0.00 -0.04 2.34 2.24 2wk8A1 VAL 227 H -0.23 0.42 -0.20 -0.55 8.24 7.67 2wk8A1 VAL 227 HA -0.11 0.12 1.00 -0.75 4.13 4.39 2wk8A1 VAL 227 HB 0.04 0.06 -0.03 -0.04 2.12 2.15 2wk8A1 VAL 227 HG13 0.20 -0.07 -0.19 -0.04 0.97 0.87 2wk8A1 VAL 227 HG23 0.00 -0.00 -0.20 -0.04 0.95 0.71 2wk8A1 HIS 228 H -0.02 0.07 0.25 -0.55 8.41 8.15 2wk8A1 HIS 228 HA -0.26 0.13 0.47 -0.75 4.63 4.22 2wk8A1 HIS 228 HB2 -0.30 0.03 0.26 -0.04 3.26 3.22 2wk8A1 HIS 228 HB3 -1.12 -0.03 0.04 -0.04 3.20 2.05 2wk8A1 HIS 228 HD2 -0.17 -0.02 0.01 -0.04 6.97 6.74 2wk8A1 HIS 228 HE1 -0.02 0.23 0.13 -0.04 7.75 8.05 2wk8A1 PHE 229 H 0.17 0.37 0.19 -0.55 8.34 8.52 2wk8A1 PHE 229 HA 0.17 0.29 1.04 -0.75 4.62 5.37 2wk8A1 PHE 229 HB2 0.08 -0.06 0.11 -0.04 3.15 3.23 2wk8A1 PHE 229 HB3 0.05 0.00 0.05 -0.04 3.06 3.12 2wk8A1 PHE 229 HD2 0.08 0.06 -0.05 -0.04 7.28 7.33 2wk8A1 PHE 229 HE2 0.02 -0.05 -0.09 -0.04 7.38 7.22 2wk8A1 PHE 229 HZ 0.02 0.04 -0.08 -0.04 7.32 7.26 2wk8A1 MET 230 H 0.01 0.67 0.34 -0.55 8.47 8.94 2wk8A1 MET 230 HA -0.00 0.16 0.82 -0.75 4.52 4.75 2wk8A1 MET 230 HB2 -0.33 0.04 -0.01 -0.04 2.15 1.81 2wk8A1 MET 230 HB3 -1.05 0.01 0.04 -0.04 2.03 1.00 2wk8A1 MET 230 HG2 -0.37 -0.03 -0.19 -0.04 2.63 2.00 2wk8A1 MET 230 HG3 -0.20 -0.03 0.16 -0.04 2.56 2.45 2wk8A1 MET 230 HE3 -1.58 0.02 -0.09 -0.04 2.10 0.42 2wk8A1 THR 231 H 0.04 0.49 0.41 -0.55 8.28 8.67 2wk8A1 THR 231 HA 0.31 0.37 1.03 -0.75 4.39 5.34 2wk8A1 THR 231 HB 0.04 -0.03 0.10 -0.04 4.32 4.39 2wk8A1 THR 231 HG23 0.01 0.02 -0.20 -0.04 1.22 1.01 2wk8A1 ALA 232 H 0.19 0.52 0.31 -0.55 8.40 8.88 2wk8A1 ALA 232 HA 0.05 -0.13 0.52 -0.75 4.34 4.02 2wk8A1 ALA 232 HB3 0.18 0.08 -0.11 -0.04 1.41 1.53 2wk8A1 SER 233 H -0.01 0.07 0.23 -0.55 8.46 8.20 2wk8A1 SER 233 HA 0.02 0.06 0.95 -0.75 4.49 4.76 2wk8A1 SER 233 HB2 -0.01 -0.05 0.23 -0.04 3.95 4.09 2wk8A1 SER 233 HB3 -0.05 0.07 0.20 -0.04 3.93 4.11 2wk8A1 LEU 234 H 0.03 0.64 0.18 -0.55 8.37 8.67 2wk8A1 LEU 234 HA 0.05 0.15 0.66 -0.75 4.35 4.46 2wk8A1 LEU 234 HB2 0.01 -0.03 -0.33 -0.04 1.64 1.25 2wk8A1 LEU 234 HB3 0.09 0.07 -0.07 -0.04 1.64 1.69 2wk8A1 LEU 234 HG -0.38 0.06 -0.12 -0.04 1.64 1.16 2wk8A1 LEU 234 HD13 -0.32 0.00 -0.25 -0.04 0.93 0.32 2wk8A1 LEU 234 HD23 -0.14 -0.02 -0.29 -0.04 0.89 0.40 2wk8A1 ALA 235 H 0.05 -0.08 -0.17 -0.55 8.40 7.65 2wk8A1 ALA 235 HA 0.08 0.05 0.58 -0.75 4.34 4.30 2wk8A1 ALA 235 HB3 0.02 -0.01 0.10 -0.04 1.41 1.48 2wk8A1 LYS 236 H 0.10 0.03 -0.60 -0.55 8.42 7.39 2wk8A1 LYS 236 HA -0.08 0.19 0.78 -0.75 4.32 4.45 2wk8A1 LYS 236 HB2 0.11 -0.12 0.33 -0.04 1.87 2.15 2wk8A1 LYS 236 HB3 -0.01 0.15 0.23 -0.04 1.79 2.12 2wk8A1 LYS 236 HG2 -0.03 -0.22 -0.10 -0.04 1.46 1.07 2wk8A1 LYS 236 HG3 -0.24 0.11 0.02 -0.04 1.46 1.31 2wk8A1 LYS 236 HD2 -0.02 0.10 -0.00 -0.04 1.69 1.73 2wk8A1 LYS 236 HD3 -0.02 0.11 -0.36 -0.04 1.68 1.37 2wk8A1 LYS 236 HE2 -0.05 -0.19 -0.05 -0.04 2.99 2.67 2wk8A1 LYS 236 HE3 -0.21 -0.03 -0.04 -0.04 2.99 2.67 2wk8A1 THR 237 H 0.20 0.26 0.18 -0.55 8.28 8.37 2wk8A1 THR 237 HA 0.09 -0.13 0.46 -0.75 4.39 4.05 2wk8A1 THR 237 HB 0.22 0.10 0.12 -0.04 4.32 4.72 2wk8A1 THR 237 HG23 0.01 -0.02 -0.11 -0.04 1.22 1.06 2wk8A1 PHE 238 H 0.44 0.00 -0.21 -0.55 8.34 8.02 2wk8A1 PHE 238 HA 0.03 0.12 0.38 -0.75 4.62 4.41 2wk8A1 PHE 238 HB2 0.08 -0.08 0.09 -0.04 3.15 3.20 2wk8A1 PHE 238 HB3 0.06 0.01 0.02 -0.04 3.06 3.11 2wk8A1 PHE 238 HD2 0.04 -0.05 -0.05 -0.04 7.28 7.18 2wk8A1 PHE 238 HE2 0.04 0.01 -0.13 -0.04 7.38 7.26 2wk8A1 PHE 238 HZ -0.12 0.07 -0.09 -0.04 7.32 7.15 2wk8A1 ALA 239 H 0.14 0.12 -0.80 -0.55 8.40 7.30 2wk8A1 ALA 239 HA 0.07 0.01 0.11 -0.75 4.34 3.78 2wk8A1 ALA 239 HB3 0.07 0.01 -0.19 -0.04 1.41 1.25 2wk8A1 TYR 240 H 0.19 0.34 -0.04 -0.55 8.29 8.23 2wk8A1 TYR 240 HA 0.04 0.15 0.67 -0.75 4.56 4.67 2wk8A1 TYR 240 HB2 0.07 0.23 -0.35 -0.04 3.06 2.97 2wk8A1 TYR 240 HB3 0.05 -0.11 -0.25 -0.04 2.98 2.62 2wk8A1 TYR 240 HD2 0.01 0.05 -0.15 -0.04 7.15 7.02 2wk8A1 TYR 240 HE2 -0.01 0.00 -0.03 -0.04 6.85 6.77 2wk8A1 ARG 241 H -0.94 0.23 0.05 -0.55 8.46 7.24 2wk8A1 ARG 241 HA -0.10 -0.01 0.47 -0.75 4.34 3.95 2wk8A1 ARG 241 HB2 -0.24 0.02 0.12 -0.04 1.90 1.75 2wk8A1 ARG 241 HB3 -0.37 0.03 0.25 -0.04 1.80 1.68 2wk8A1 ARG 241 HG2 -0.09 0.10 0.05 -0.04 1.67 1.69 2wk8A1 ARG 241 HG3 -0.07 -0.08 0.05 -0.04 1.67 1.53 2wk8A1 ARG 241 HD2 -0.06 -0.01 0.03 -0.04 3.22 3.14 2wk8A1 ARG 241 HD3 -0.09 0.00 0.03 -0.04 3.22 3.13 2wk8A1 ALA 242 H 0.01 0.32 0.29 -0.55 8.40 8.48 2wk8A1 ALA 242 HA 0.00 0.27 0.17 -0.75 4.34 4.03 2wk8A1 ALA 242 HB3 0.10 0.05 -0.13 -0.04 1.41 1.39 2wk8A1 GLY 243 H -0.04 0.71 0.12 -0.55 8.43 8.68 2wk8A1 GLY 243 HA2 -0.02 0.05 0.56 -0.51 4.01 4.08 2wk8A1 GLY 243 HA3 -0.02 -0.03 -0.16 -0.51 4.01 3.30 2wk8A1 ALA 244 H -0.08 0.42 0.31 -0.55 8.40 8.51 2wk8A1 ALA 244 HA -0.31 0.24 0.75 -0.75 4.34 4.27 2wk8A1 ALA 244 HB3 -0.80 0.02 -0.12 -0.04 1.41 0.47 2wk8A1 ILE 245 H -0.42 0.66 0.34 -0.55 8.25 8.28 2wk8A1 ILE 245 HA -0.03 0.16 1.07 -0.75 4.18 4.62 2wk8A1 ILE 245 HB -0.15 0.00 0.14 -0.04 1.89 1.84 2wk8A1 ILE 245 HG12 -0.08 0.03 -0.07 -0.04 1.49 1.34 2wk8A1 ILE 245 HG13 -0.13 -0.16 -0.25 -0.04 1.21 0.63 2wk8A1 ILE 245 HG23 -0.02 0.01 -0.16 -0.04 0.93 0.71 2wk8A1 ILE 245 HD13 -0.10 0.01 -0.05 -0.04 0.88 0.71 2wk8A1 TRP 246 H 0.30 0.83 0.43 -0.55 7.97 8.98 2wk8A1 TRP 246 HA -0.05 0.42 1.22 -0.75 4.62 5.45 2wk8A1 TRP 246 HB2 -0.73 -0.11 0.12 -0.04 3.23 2.48 2wk8A1 TRP 246 HB3 -0.47 0.03 -0.02 -0.04 3.23 2.72 2wk8A1 TRP 246 HD1 0.05 0.07 -0.20 -0.04 7.22 7.11 2wk8A1 TRP 246 HE1 0.06 0.25 -0.56 -0.04 10.20 9.91 2wk8A1 TRP 246 HE3 -0.19 0.21 -0.30 -0.04 7.59 7.27 2wk8A1 TRP 246 HZ2 -0.03 0.05 -0.15 -0.04 7.44 7.28 2wk8A1 TRP 246 HZ3 -0.11 -0.15 -0.29 -0.04 7.13 6.55 2wk8A1 TRP 246 HH2 -0.15 -0.04 -0.19 -0.04 7.19 6.77 2wk8A1 CYS 247 H 0.26 0.65 0.35 -0.55 8.50 9.21 2wk8A1 CYS 247 HA 0.35 0.31 1.10 -0.75 4.58 5.59 2wk8A1 CYS 247 HB2 0.18 0.01 0.11 -0.04 2.97 3.24 2wk8A1 CYS 247 HB3 0.23 -0.06 -0.01 -0.04 2.97 3.09 2wk8A1 ASN 248 H 0.14 0.77 0.30 -0.55 8.53 9.19 2wk8A1 ASN 248 HA 0.09 -0.01 0.99 -0.75 4.76 5.07 2wk8A1 ASN 248 HB2 -0.10 0.18 0.28 -0.04 2.88 3.21 2wk8A1 ASN 248 HB3 -0.12 0.01 0.29 -0.04 2.79 2.93 2wk8A1 ASN 248 HD21 -1.18 -0.02 -0.04 -0.04 7.03 5.76 2wk8A1 ASN 248 HD22 -0.48 0.47 0.14 -0.04 7.74 7.84 2wk8A1 ASN 249 H 0.11 0.32 -0.40 -0.55 8.53 8.01 2wk8A1 ASN 249 HA 0.04 0.17 0.49 -0.75 4.76 4.71 2wk8A1 ASN 249 HB2 0.07 -0.10 0.15 -0.04 2.88 2.96 2wk8A1 ASN 249 HB3 0.03 0.28 -0.04 -0.04 2.79 3.01 2wk8A1 ASN 249 HD21 -0.83 0.05 -0.05 -0.04 7.03 6.15 2wk8A1 ASN 249 HD22 -0.14 0.15 -0.16 -0.04 7.74 7.55 2wk8A1 GLU 250 H 0.07 0.24 0.10 -0.55 8.60 8.47 2wk8A1 GLU 250 HA 0.07 0.21 0.66 -0.75 4.29 4.47 2wk8A1 GLU 250 HB2 0.05 0.05 0.11 -0.04 2.09 2.26 2wk8A1 GLU 250 HB3 0.05 0.02 0.17 -0.04 1.99 2.19 2wk8A1 GLU 250 HG2 0.03 0.05 0.01 -0.04 2.34 2.39 2wk8A1 GLU 250 HG3 0.04 0.02 -0.01 -0.04 2.34 2.35 2wk8A1 VAL 251 H 0.17 0.13 -0.43 -0.55 8.24 7.55 2wk8A1 VAL 251 HA 0.09 0.16 0.33 -0.75 4.13 3.95 2wk8A1 VAL 251 HB 0.40 -0.02 -0.01 -0.04 2.12 2.45 2wk8A1 VAL 251 HG13 -0.05 0.02 -0.14 -0.04 0.97 0.75 2wk8A1 VAL 251 HG23 0.26 0.03 -0.06 -0.04 0.95 1.14 2wk8A1 ASN 252 H 0.09 0.18 -0.26 -0.55 8.53 8.00 2wk8A1 ASN 252 HA -0.01 0.04 0.35 -0.75 4.76 4.38 2wk8A1 ASN 252 HB2 0.03 0.03 -0.08 -0.04 2.88 2.82 2wk8A1 ASN 252 HB3 -0.03 0.08 -0.11 -0.04 2.79 2.69 2wk8A1 ASN 252 HD21 -0.07 0.23 -0.30 -0.04 7.03 6.85 2wk8A1 ASN 252 HD22 -0.02 -0.02 -0.49 -0.04 7.74 7.17 2wk8A1 ARG 253 H 0.05 0.27 -0.52 -0.55 8.46 7.71 2wk8A1 ARG 253 HA 0.06 0.10 0.57 -0.75 4.34 4.31 2wk8A1 ARG 253 HB2 0.06 0.35 0.14 -0.04 1.90 2.41 2wk8A1 ARG 253 HB3 0.07 0.00 -0.08 -0.04 1.80 1.75 2wk8A1 ARG 253 HG2 0.04 -0.02 0.03 -0.04 1.67 1.68 2wk8A1 ARG 253 HG3 0.05 0.01 0.04 -0.04 1.67 1.74 2wk8A1 ARG 253 HD2 0.04 -0.05 -0.18 -0.04 3.22 2.98 2wk8A1 ARG 253 HD3 0.04 -0.05 -0.04 -0.04 3.22 3.13 2wk8A1 CYS 254 H 0.06 0.34 -0.25 -0.55 8.50 8.10 2wk8A1 CYS 254 HA 0.21 0.17 0.61 -0.75 4.58 4.83 2wk8A1 CYS 254 HB2 0.04 0.07 0.08 -0.04 2.97 3.12 2wk8A1 CYS 254 HB3 0.06 0.01 -0.01 -0.04 2.97 3.00 2wk8A1 VAL 255 H -0.00 0.32 0.05 -0.55 8.24 8.06 2wk8A1 VAL 255 HA -0.04 0.02 0.25 -0.75 4.13 3.61 2wk8A1 VAL 255 HB -0.08 0.09 0.03 -0.04 2.12 2.12 2wk8A1 VAL 255 HG13 -0.09 -0.02 -0.22 -0.04 0.97 0.60 2wk8A1 VAL 255 HG23 -0.06 0.09 -0.07 -0.04 0.95 0.87 2wk8A1 PRO 256 HA -0.30 -0.03 0.24 -0.51 4.44 3.85 2wk8A1 PRO 256 HB2 -1.27 0.11 -0.14 -0.04 2.28 0.94 2wk8A1 PRO 256 HB3 -0.50 -0.01 -0.07 -0.04 2.02 1.40 2wk8A1 PRO 256 HG2 -0.26 0.14 -0.05 -0.04 2.03 1.82 2wk8A1 PRO 256 HG3 -0.23 -0.05 -0.03 -0.04 2.03 1.68 2wk8A1 PRO 256 HD2 -0.09 0.20 -0.81 -0.04 3.68 2.94 2wk8A1 PRO 256 HD3 -0.10 0.03 -0.14 -0.04 3.65 3.39 2wk8A1 PHE 257 H -0.10 0.55 -0.37 -0.55 8.34 7.87 2wk8A1 PHE 257 HA -0.13 0.14 0.80 -0.75 4.62 4.68 2wk8A1 PHE 257 HB2 -0.05 0.07 0.03 -0.04 3.15 3.16 2wk8A1 PHE 257 HB3 -0.07 -0.04 0.10 -0.04 3.06 3.01 2wk8A1 PHE 257 HD2 -0.10 0.04 0.01 -0.04 7.28 7.20 2wk8A1 PHE 257 HE2 -0.08 0.11 0.02 -0.04 7.38 7.38 2wk8A1 PHE 257 HZ -0.06 -0.06 -0.02 -0.04 7.32 7.14 2wk8A1 ILE 258 H -0.01 0.21 -0.16 -0.55 8.25 7.74 2wk8A1 ILE 258 HA 0.08 0.21 0.89 -0.75 4.18 4.61 2wk8A1 ILE 258 HB 0.00 -0.07 -0.04 -0.04 1.89 1.75 2wk8A1 ILE 258 HG12 0.05 0.02 -0.10 -0.04 1.49 1.42 2wk8A1 ILE 258 HG13 0.09 -0.04 -0.33 -0.04 1.21 0.89 2wk8A1 ILE 258 HG23 -0.02 0.00 -0.21 -0.04 0.93 0.66 2wk8A1 ILE 258 HD13 0.02 -0.01 -0.09 -0.04 0.88 0.76 2wk8A1 SER 259 H -0.03 0.54 0.16 -0.55 8.46 8.59 2wk8A1 SER 259 HA -0.00 0.08 0.40 -0.75 4.49 4.22 2wk8A1 SER 259 HB2 -0.04 0.09 0.13 -0.04 3.95 4.09 2wk8A1 SER 259 HB3 -0.05 0.15 0.14 -0.04 3.93 4.13 2wk8A1 TYR 260 H 0.15 0.19 0.17 -0.55 8.29 8.25 2wk8A1 TYR 260 HA 0.23 0.14 0.40 -0.75 4.56 4.57 2wk8A1 TYR 260 HB2 0.10 -0.01 0.13 -0.04 3.06 3.24 2wk8A1 TYR 260 HB3 0.18 -0.02 -0.02 -0.04 2.98 3.07 2wk8A1 TYR 260 HD2 0.09 -0.01 -0.08 -0.04 7.15 7.11 2wk8A1 TYR 260 HE2 0.07 0.03 -0.01 -0.04 6.85 6.90 2wk8A1 PRO 261 HA 0.14 0.11 0.44 -0.51 4.44 4.63 2wk8A1 PRO 261 HB2 0.09 -0.01 -0.06 -0.04 2.28 2.26 2wk8A1 PRO 261 HB3 0.13 -0.02 0.01 -0.04 2.02 2.10 2wk8A1 PRO 261 HG2 0.17 -0.01 -0.02 -0.04 2.03 2.13 2wk8A1 PRO 261 HG3 0.20 0.08 -0.02 -0.04 2.03 2.25 2wk8A1 PRO 261 HD2 0.13 0.04 0.01 -0.04 3.68 3.82 2wk8A1 PRO 261 HD3 0.23 0.18 0.06 -0.04 3.65 4.08 2wk8A1 ALA 262 H 0.03 0.08 -0.47 -0.55 8.40 7.50 2wk8A1 ALA 262 HA -0.06 -0.00 0.41 -0.75 4.34 3.93 2wk8A1 ALA 262 HB3 -0.11 0.03 0.00 -0.04 1.41 1.29 2wk8A1 ILE 263 H -0.06 0.43 -0.20 -0.55 8.25 7.88 2wk8A1 ILE 263 HA -0.32 0.01 0.50 -0.75 4.18 3.62 2wk8A1 ILE 263 HB -0.38 0.01 0.08 -0.04 1.89 1.56 2wk8A1 ILE 263 HG12 -0.29 -0.05 -0.06 -0.04 1.49 1.05 2wk8A1 ILE 263 HG13 -0.18 0.04 -0.25 -0.04 1.21 0.78 2wk8A1 ILE 263 HG23 -1.47 -0.02 -0.25 -0.04 0.93 -0.86 2wk8A1 ILE 263 HD13 -0.01 0.07 -0.49 -0.04 0.88 0.40 2wk8A1 PHE 264 H 0.07 0.75 0.05 -0.55 8.34 8.66 2wk8A1 PHE 264 HA -0.03 0.16 0.63 -0.75 4.62 4.64 2wk8A1 PHE 264 HB2 -0.05 0.03 0.02 -0.04 3.15 3.11 2wk8A1 PHE 264 HB3 -0.05 -0.05 0.13 -0.04 3.06 3.05 2wk8A1 PHE 264 HD2 -0.14 -0.00 0.02 -0.04 7.28 7.12 2wk8A1 PHE 264 HE2 -0.47 0.01 -0.04 -0.04 7.38 6.84 2wk8A1 PHE 264 HZ -0.21 0.01 -0.04 -0.04 7.32 7.04 2wk8A1 SER 265 H 0.04 0.34 -0.27 -0.55 8.46 8.03 2wk8A1 SER 265 HA 0.07 0.10 0.73 -0.75 4.49 4.64 2wk8A1 SER 265 HB2 0.08 -0.05 -0.07 -0.04 3.95 3.87 2wk8A1 SER 265 HB3 0.05 0.12 0.06 -0.04 3.93 4.12 2wk8A1 SER 266 H 0.05 0.06 0.07 -0.55 8.46 8.10 2wk8A1 SER 266 HA 0.03 0.10 0.10 -0.75 4.49 3.97 2wk8A1 SER 266 HB2 0.08 0.03 0.07 -0.04 3.95 4.09 2wk8A1 SER 266 HB3 0.10 -0.02 -0.00 -0.04 3.93 3.96 2wk8A1 THR 267 H -0.03 0.44 0.29 -0.55 8.28 8.44 2wk8A1 THR 267 HA -0.05 0.04 0.55 -0.75 4.39 4.18 2wk8A1 THR 267 HB -0.06 -0.13 0.16 -0.04 4.32 4.24 2wk8A1 THR 267 HG23 -0.09 0.12 -0.03 -0.04 1.22 1.18 2wk8A1 LEU 268 H -0.07 0.03 0.10 -0.55 8.37 7.89 2wk8A1 LEU 268 HA -0.08 0.04 0.59 -0.75 4.35 4.14 2wk8A1 LEU 268 HB2 -0.08 -0.02 0.05 -0.04 1.64 1.55 2wk8A1 LEU 268 HB3 -0.09 0.02 -0.00 -0.04 1.64 1.52 2wk8A1 LEU 268 HG -0.04 -0.01 -0.02 -0.04 1.64 1.52 2wk8A1 LEU 268 HD13 0.06 -0.02 -0.06 -0.04 0.93 0.87 2wk8A1 LEU 268 HD23 -0.02 0.01 0.08 -0.04 0.89 0.92 2wk8A1 LEU 269 H -0.21 0.05 0.19 -0.55 8.37 7.85 2wk8A1 LEU 269 HA -0.23 0.27 0.63 -0.75 4.35 4.27 2wk8A1 LEU 269 HB2 -0.46 -0.10 0.14 -0.04 1.64 1.18 2wk8A1 LEU 269 HB3 -0.11 -0.01 0.12 -0.04 1.64 1.60 2wk8A1 LEU 269 HG -0.00 0.01 0.06 -0.04 1.64 1.66 2wk8A1 LEU 269 HD13 -0.89 0.04 -0.04 -0.04 0.93 0.00 2wk8A1 LEU 269 HD23 -0.06 0.01 0.06 -0.04 0.89 0.86 2wk8A1 PRO 270 HA -0.07 0.08 0.34 -0.51 4.44 4.28 2wk8A1 PRO 270 HB2 0.03 0.04 0.04 -0.04 2.28 2.35 2wk8A1 PRO 270 HB3 -0.01 0.08 0.11 -0.04 2.02 2.16 2wk8A1 PRO 270 HG2 -0.01 0.03 0.14 -0.04 2.03 2.15 2wk8A1 PRO 270 HG3 -0.04 0.13 0.14 -0.04 2.03 2.21 2wk8A1 PRO 270 HD2 -0.02 0.08 0.24 -0.04 3.68 3.93 2wk8A1 PRO 270 HD3 -0.14 0.22 0.29 -0.04 3.65 3.98 2wk8A1 TYR 271 H 0.08 0.14 -0.24 -0.55 8.29 7.73 2wk8A1 TYR 271 HA -0.02 0.11 0.40 -0.75 4.56 4.29 2wk8A1 TYR 271 HB2 -0.00 0.04 -0.10 -0.04 3.06 2.96 2wk8A1 TYR 271 HB3 0.00 0.11 -0.13 -0.04 2.98 2.92 2wk8A1 TYR 271 HD2 0.02 -0.00 -0.13 -0.04 7.15 6.99 2wk8A1 TYR 271 HE2 0.07 0.01 -0.02 -0.04 6.85 6.87 2wk8A1 GLU 272 H -0.63 0.24 -0.29 -0.55 8.60 7.37 2wk8A1 GLU 272 HA -0.25 0.06 0.45 -0.75 4.29 3.81 2wk8A1 GLU 272 HB2 -0.16 0.08 0.08 -0.04 2.09 2.05 2wk8A1 GLU 272 HB3 0.07 -0.00 0.05 -0.04 1.99 2.07 2wk8A1 GLU 272 HG2 -0.66 0.03 0.04 -0.04 2.34 1.71 2wk8A1 GLU 272 HG3 -0.67 -0.03 0.13 -0.04 2.34 1.72 2wk8A1 ALA 273 H -0.15 0.36 -0.20 -0.55 8.40 7.87 2wk8A1 ALA 273 HA -0.13 -0.01 0.37 -0.75 4.34 3.82 2wk8A1 ALA 273 HB3 -0.08 0.04 0.07 -0.04 1.41 1.40 2wk8A1 ALA 274 H -0.05 0.34 -0.37 -0.55 8.40 7.77 2wk8A1 ALA 274 HA -0.03 -0.02 0.33 -0.75 4.34 3.87 2wk8A1 ALA 274 HB3 0.02 0.06 0.10 -0.04 1.41 1.55 2wk8A1 GLY 275 H -0.08 0.45 -0.17 -0.55 8.43 8.08 2wk8A1 GLY 275 HA2 -0.05 0.03 0.45 -0.51 4.01 3.93 2wk8A1 GLY 275 HA3 -0.14 0.09 0.29 -0.51 4.01 3.74 2wk8A1 LEU 276 H -0.21 0.42 -0.17 -0.55 8.37 7.87 2wk8A1 LEU 276 HA -0.04 0.02 0.33 -0.75 4.35 3.91 2wk8A1 LEU 276 HB2 -0.14 0.11 0.15 -0.04 1.64 1.73 2wk8A1 LEU 276 HB3 -0.05 -0.04 -0.05 -0.04 1.64 1.46 2wk8A1 LEU 276 HG -0.05 -0.05 -0.07 -0.04 1.64 1.44 2wk8A1 LEU 276 HD13 -0.19 0.01 -0.11 -0.04 0.93 0.60 2wk8A1 LEU 276 HD23 -0.09 -0.01 -0.15 -0.04 0.89 0.60 2wk8A1 GLU 277 H -0.05 0.43 -0.39 -0.55 8.60 8.04 2wk8A1 GLU 277 HA -0.01 -0.02 0.34 -0.75 4.29 3.85 2wk8A1 GLU 277 HB2 -0.02 0.25 0.15 -0.04 2.09 2.43 2wk8A1 GLU 277 HB3 -0.01 -0.03 -0.02 -0.04 1.99 1.89 2wk8A1 GLU 277 HG2 -0.01 -0.08 -0.03 -0.04 2.34 2.17 2wk8A1 GLU 277 HG3 -0.03 0.17 0.02 -0.04 2.34 2.46 2wk8A1 THR 278 H -0.04 0.39 -0.11 -0.55 8.28 7.98 2wk8A1 THR 278 HA -0.04 0.02 0.47 -0.75 4.39 4.08 2wk8A1 THR 278 HB -0.04 0.11 0.16 -0.04 4.32 4.51 2wk8A1 THR 278 HG23 -0.05 0.01 -0.21 -0.04 1.22 0.93 2wk8A1 THR 279 H -0.06 0.65 -0.08 -0.55 8.28 8.25 2wk8A1 THR 279 HA -0.15 -0.04 0.41 -0.75 4.39 3.86 2wk8A1 THR 279 HB 0.06 0.08 0.12 -0.04 4.32 4.53 2wk8A1 THR 279 HG23 -0.18 0.01 -0.09 -0.04 1.22 0.93 2wk8A1 LEU 280 H -0.01 0.70 -0.17 -0.55 8.37 8.34 2wk8A1 LEU 280 HA -0.24 -0.03 0.37 -0.75 4.35 3.70 2wk8A1 LEU 280 HB2 0.11 -0.02 0.06 -0.04 1.64 1.75 2wk8A1 LEU 280 HB3 -0.04 0.18 0.14 -0.04 1.64 1.88 2wk8A1 LEU 280 HG -0.21 0.02 -0.27 -0.04 1.64 1.13 2wk8A1 LEU 280 HD13 -0.80 -0.02 -0.02 -0.04 0.93 0.05 2wk8A1 LEU 280 HD23 -0.01 -0.00 -0.15 -0.04 0.89 0.68 2wk8A1 GLU 281 H -0.09 0.46 -0.18 -0.55 8.60 8.25 2wk8A1 GLU 281 HA -0.07 0.02 0.39 -0.75 4.29 3.87 2wk8A1 GLU 281 HB2 -0.06 0.12 0.19 -0.04 2.09 2.29 2wk8A1 GLU 281 HB3 -0.04 -0.04 -0.02 -0.04 1.99 1.84 2wk8A1 GLU 281 HG2 -0.02 -0.03 0.02 -0.04 2.34 2.28 2wk8A1 GLU 281 HG3 -0.03 0.02 0.03 -0.04 2.34 2.31 2wk8A1 ILE 282 H -0.15 0.53 -0.14 -0.55 8.25 7.94 2wk8A1 ILE 282 HA -0.11 -0.00 0.38 -0.75 4.18 3.70 2wk8A1 ILE 282 HB -0.25 0.13 0.14 -0.04 1.89 1.87 2wk8A1 ILE 282 HG12 -0.20 0.21 0.04 -0.04 1.49 1.49 2wk8A1 ILE 282 HG13 -0.55 -0.11 -0.04 -0.04 1.21 0.47 2wk8A1 ILE 282 HG23 -0.27 -0.02 -0.12 -0.04 0.93 0.48 2wk8A1 ILE 282 HD13 -0.17 -0.02 -0.01 -0.04 0.88 0.64 2wk8A1 ILE 283 H -0.22 0.62 -0.13 -0.55 8.25 7.97 2wk8A1 ILE 283 HA -0.13 -0.04 0.44 -0.75 4.18 3.70 2wk8A1 ILE 283 HB -0.41 0.13 0.16 -0.04 1.89 1.73 2wk8A1 ILE 283 HG12 -0.27 -0.07 -0.03 -0.04 1.49 1.08 2wk8A1 ILE 283 HG13 -0.36 0.09 0.01 -0.04 1.21 0.91 2wk8A1 ILE 283 HG23 -0.13 0.02 -0.11 -0.04 0.93 0.67 2wk8A1 ILE 283 HD13 -1.19 -0.02 -0.23 -0.04 0.88 -0.60 2wk8A1 GLU 284 H -0.13 0.58 -0.09 -0.55 8.60 8.42 2wk8A1 GLU 284 HA 0.09 0.29 0.49 -0.75 4.29 4.41 2wk8A1 GLU 284 HB2 0.11 -0.10 0.15 -0.04 2.09 2.21 2wk8A1 GLU 284 HB3 0.14 0.05 0.12 -0.04 1.99 2.26 2wk8A1 GLU 284 HG2 -0.09 0.27 0.14 -0.04 2.34 2.62 2wk8A1 GLU 284 HG3 -0.00 -0.01 0.03 -0.04 2.34 2.31 2wk8A1 SER 285 H -0.03 0.37 -0.50 -0.55 8.46 7.75 2wk8A1 SER 285 HA 0.01 0.10 0.83 -0.75 4.49 4.68 2wk8A1 SER 285 HB2 0.00 -0.10 0.17 -0.04 3.95 3.98 2wk8A1 SER 285 HB3 -0.01 0.06 0.09 -0.04 3.93 4.03 2wk8A1 ALA 286 H -0.00 0.58 -0.31 -0.55 8.40 8.11 2wk8A1 ALA 286 HA 0.01 0.07 0.52 -0.75 4.34 4.19 2wk8A1 ALA 286 HB3 -0.01 0.04 0.16 -0.04 1.41 1.57 2wk8A1 ASP 287 H 0.02 0.41 -0.32 -0.55 8.40 7.96 2wk8A1 ASP 287 HA 0.01 0.07 0.33 -0.75 4.63 4.29 2wk8A1 ASP 287 HB2 0.01 0.02 0.12 -0.04 2.71 2.82 2wk8A1 ASP 287 HB3 0.01 -0.01 0.04 -0.04 2.70 2.70 2wk8A1 ASN 288 H 0.02 0.17 -0.11 -0.55 8.53 8.06 2wk8A1 ASN 288 HA 0.02 0.06 0.46 -0.75 4.76 4.55 2wk8A1 ASN 288 HB2 0.01 0.03 0.05 -0.04 2.88 2.93 2wk8A1 ASN 288 HB3 0.01 0.03 0.12 -0.04 2.79 2.91 2wk8A1 ASN 288 HD21 0.01 0.04 0.00 -0.04 7.03 7.03 2wk8A1 ASN 288 HD22 -0.01 0.01 -0.04 -0.04 7.74 7.67 2wk8A1 ARG 289 H 0.02 0.18 -0.12 -0.55 8.46 7.99 2wk8A1 ARG 289 HA 0.07 0.11 0.55 -0.75 4.34 4.32 2wk8A1 ARG 289 HB2 0.04 0.08 0.11 -0.04 1.90 2.08 2wk8A1 ARG 289 HB3 0.06 -0.05 0.09 -0.04 1.80 1.87 2wk8A1 ARG 289 HG2 0.03 0.07 0.01 -0.04 1.67 1.75 2wk8A1 ARG 289 HG3 0.01 0.01 0.01 -0.04 1.67 1.65 2wk8A1 ARG 289 HD2 0.02 -0.07 0.01 -0.04 3.22 3.14 2wk8A1 ARG 289 HD3 0.02 0.02 0.07 -0.04 3.22 3.29 2wk8A1 ARG 290 H 0.02 0.41 -0.21 -0.55 8.46 8.13 2wk8A1 ARG 290 HA -0.00 0.04 0.53 -0.75 4.34 4.16 2wk8A1 ARG 290 HB2 0.00 0.13 0.20 -0.04 1.90 2.19 2wk8A1 ARG 290 HB3 -0.04 -0.03 -0.04 -0.04 1.80 1.66 2wk8A1 ARG 290 HG2 -0.03 0.05 0.07 -0.04 1.67 1.71 2wk8A1 ARG 290 HG3 0.01 0.03 0.05 -0.04 1.67 1.72 2wk8A1 ARG 290 HD2 0.01 -0.08 -0.10 -0.04 3.22 3.00 2wk8A1 ARG 290 HD3 -0.01 -0.07 -0.27 -0.04 3.22 2.83 2wk8A1 GLN 291 H 0.02 0.57 0.03 -0.55 8.47 8.53 2wk8A1 GLN 291 HA -0.01 0.01 0.46 -0.75 4.36 4.07 2wk8A1 GLN 291 HB2 0.01 0.02 0.15 -0.04 2.15 2.29 2wk8A1 GLN 291 HB3 0.03 0.12 0.20 -0.04 2.02 2.34 2wk8A1 GLN 291 HG2 0.03 -0.01 -0.21 -0.04 2.40 2.16 2wk8A1 GLN 291 HG3 0.01 -0.03 0.04 -0.04 2.39 2.36 2wk8A1 GLN 291 HE21 0.03 -0.01 0.00 -0.04 6.97 6.94 2wk8A1 GLN 291 HE22 0.05 0.01 -0.03 -0.04 7.69 7.68 2wk8A1 HIS 292 H 0.12 0.48 -0.15 -0.55 8.41 8.31 2wk8A1 HIS 292 HA 0.00 -0.01 0.36 -0.75 4.63 4.22 2wk8A1 HIS 292 HB2 0.01 0.01 0.15 -0.04 3.26 3.39 2wk8A1 HIS 292 HB3 0.01 0.09 0.18 -0.04 3.20 3.44 2wk8A1 HIS 292 HD2 0.02 0.03 -0.07 -0.04 6.97 6.90 2wk8A1 HIS 292 HE1 0.01 -0.15 0.06 -0.04 7.75 7.63 2wk8A1 LEU 293 H 0.06 0.49 -0.28 -0.55 8.37 8.09 2wk8A1 LEU 293 HA -0.02 0.03 0.39 -0.75 4.35 4.00 2wk8A1 LEU 293 HB2 0.08 -0.02 0.08 -0.04 1.64 1.74 2wk8A1 LEU 293 HB3 0.01 0.14 0.22 -0.04 1.64 1.97 2wk8A1 LEU 293 HG -0.02 -0.03 -0.28 -0.04 1.64 1.26 2wk8A1 LEU 293 HD13 0.06 -0.04 -0.21 -0.04 0.93 0.70 2wk8A1 LEU 293 HD23 0.03 0.02 -0.04 -0.04 0.89 0.87 2wk8A1 ASP 294 H -0.05 0.76 0.01 -0.55 8.40 8.57 2wk8A1 ASP 294 HA -0.06 -0.03 0.43 -0.75 4.63 4.21 2wk8A1 ASP 294 HB2 -0.10 0.01 0.12 -0.04 2.71 2.70 2wk8A1 ASP 294 HB3 -0.05 0.11 0.22 -0.04 2.70 2.94 2wk8A1 ARG 295 H -0.07 0.60 -0.18 -0.55 8.46 8.25 2wk8A1 ARG 295 HA -0.05 0.01 0.34 -0.75 4.34 3.90 2wk8A1 ARG 295 HB2 -0.12 0.07 0.11 -0.04 1.90 1.92 2wk8A1 ARG 295 HB3 -0.05 -0.06 0.05 -0.04 1.80 1.69 2wk8A1 ARG 295 HG2 -0.03 -0.08 0.05 -0.04 1.67 1.56 2wk8A1 ARG 295 HG3 -0.03 0.16 0.00 -0.04 1.67 1.77 2wk8A1 ARG 295 HD2 -0.02 -0.03 0.01 -0.04 3.22 3.14 2wk8A1 ARG 295 HD3 -0.01 -0.02 -0.00 -0.04 3.22 3.14 2wk8A1 MET 296 H -0.20 0.60 -0.10 -0.55 8.47 8.23 2wk8A1 MET 296 HA -0.10 -0.03 0.36 -0.75 4.52 4.01 2wk8A1 MET 296 HB2 -0.11 0.08 0.05 -0.04 2.15 2.13 2wk8A1 MET 296 HB3 -0.07 -0.10 -0.06 -0.04 2.03 1.76 2wk8A1 MET 296 HG2 -0.69 0.49 0.17 -0.04 2.63 2.56 2wk8A1 MET 296 HG3 -0.35 0.13 -0.05 -0.04 2.56 2.25 2wk8A1 MET 296 HE3 -0.01 -0.09 -0.46 -0.04 2.10 1.51 2wk8A1 ALA 297 H -0.05 0.58 -0.25 -0.55 8.40 8.13 2wk8A1 ALA 297 HA -0.01 0.01 0.40 -0.75 4.34 3.99 2wk8A1 ALA 297 HB3 -0.01 0.06 -0.06 -0.04 1.41 1.36 2wk8A1 ARG 298 H -0.03 0.46 -0.27 -0.55 8.46 8.06 2wk8A1 ARG 298 HA -0.01 0.03 0.40 -0.75 4.34 4.01 2wk8A1 ARG 298 HB2 -0.02 0.09 0.10 -0.04 1.90 2.04 2wk8A1 ARG 298 HB3 -0.02 0.10 0.12 -0.04 1.80 1.96 2wk8A1 ARG 298 HG2 -0.01 -0.04 -0.09 -0.04 1.67 1.50 2wk8A1 ARG 298 HG3 -0.00 -0.01 0.04 -0.04 1.67 1.65 2wk8A1 ARG 298 HD2 -0.01 0.00 -0.02 -0.04 3.22 3.15 2wk8A1 ARG 298 HD3 -0.00 -0.02 -0.02 -0.04 3.22 3.13 2wk8A1 LYS 299 H -0.03 0.49 -0.12 -0.55 8.42 8.21 2wk8A1 LYS 299 HA -0.01 -0.00 0.40 -0.75 4.32 3.95 2wk8A1 LYS 299 HB2 -0.03 0.15 0.18 -0.04 1.87 2.13 2wk8A1 LYS 299 HB3 -0.01 -0.05 -0.05 -0.04 1.79 1.63 2wk8A1 LYS 299 HG2 -0.01 -0.04 0.03 -0.04 1.46 1.40 2wk8A1 LYS 299 HG3 -0.03 0.15 0.02 -0.04 1.46 1.56 2wk8A1 LYS 299 HD2 -0.03 -0.03 -0.02 -0.04 1.69 1.57 2wk8A1 LYS 299 HD3 -0.01 -0.02 -0.01 -0.04 1.68 1.60 2wk8A1 LYS 299 HE2 -0.01 0.01 -0.01 -0.04 2.99 2.93 2wk8A1 LYS 299 HE3 -0.02 0.01 -0.04 -0.04 2.99 2.89 2wk8A1 LEU 300 H -0.01 0.53 -0.22 -0.55 8.37 8.12 2wk8A1 LEU 300 HA -0.00 -0.01 0.36 -0.75 4.35 3.95 2wk8A1 LEU 300 HB2 -0.00 0.12 0.11 -0.04 1.64 1.83 2wk8A1 LEU 300 HB3 0.00 0.08 -0.02 -0.04 1.64 1.65 2wk8A1 LEU 300 HG 0.01 -0.07 -0.02 -0.04 1.64 1.52 2wk8A1 LEU 300 HD13 0.02 -0.00 -0.11 -0.04 0.93 0.80 2wk8A1 LEU 300 HD23 0.00 -0.01 -0.05 -0.04 0.89 0.80 2wk8A1 ARG 301 H -0.01 0.62 -0.16 -0.55 8.46 8.36 2wk8A1 ARG 301 HA -0.01 -0.01 0.37 -0.75 4.34 3.94 2wk8A1 ARG 301 HB2 -0.00 0.11 0.24 -0.04 1.90 2.20 2wk8A1 ARG 301 HB3 -0.00 -0.02 -0.00 -0.04 1.80 1.73 2wk8A1 ARG 301 HG2 -0.00 -0.01 -0.05 -0.04 1.67 1.57 2wk8A1 ARG 301 HG3 -0.00 0.02 -0.03 -0.04 1.67 1.62 2wk8A1 ARG 301 HD2 0.00 -0.03 -0.07 -0.04 3.22 3.08 2wk8A1 ARG 301 HD3 0.01 0.04 -0.35 -0.04 3.22 2.88 2wk8A1 ILE 302 H -0.01 0.64 0.03 -0.55 8.25 8.37 2wk8A1 ILE 302 HA -0.00 -0.03 0.43 -0.75 4.18 3.82 2wk8A1 ILE 302 HB -0.01 0.09 0.15 -0.04 1.89 2.08 2wk8A1 ILE 302 HG12 -0.00 -0.05 0.04 -0.04 1.49 1.44 2wk8A1 ILE 302 HG13 -0.00 0.04 0.10 -0.04 1.21 1.31 2wk8A1 ILE 302 HG23 -0.00 -0.02 -0.15 -0.04 0.93 0.72 2wk8A1 ILE 302 HD13 -0.00 -0.03 -0.06 -0.04 0.88 0.75 2wk8A1 GLY 303 H -0.01 0.61 -0.18 -0.55 8.43 8.31 2wk8A1 GLY 303 HA2 -0.00 -0.09 0.36 -0.51 4.01 3.77 2wk8A1 GLY 303 HA3 -0.01 0.01 0.30 -0.51 4.01 3.80 2wk8A1 LEU 304 H -0.02 0.58 -0.19 -0.55 8.37 8.21 2wk8A1 LEU 304 HA -0.03 0.02 0.39 -0.75 4.35 3.97 2wk8A1 LEU 304 HB2 -0.03 0.03 0.08 -0.04 1.64 1.68 2wk8A1 LEU 304 HB3 -0.06 -0.10 -0.01 -0.04 1.64 1.42 2wk8A1 LEU 304 HG -0.02 0.36 0.06 -0.04 1.64 1.99 2wk8A1 LEU 304 HD13 -0.03 -0.05 -0.12 -0.04 0.93 0.69 2wk8A1 LEU 304 HD23 -0.03 -0.03 -0.12 -0.04 0.89 0.67 2wk8A1 SER 305 H -0.02 0.58 0.05 -0.55 8.46 8.53 2wk8A1 SER 305 HA -0.02 0.11 0.50 -0.75 4.49 4.32 2wk8A1 SER 305 HB2 -0.01 -0.03 0.14 -0.04 3.95 4.01 2wk8A1 SER 305 HB3 -0.00 -0.11 0.05 -0.04 3.93 3.82 2wk8A1 GLN 306 H -0.01 0.45 -0.00 -0.55 8.47 8.37 2wk8A1 GLN 306 HA -0.00 -0.06 0.61 -0.75 4.36 4.16 2wk8A1 GLN 306 HB2 -0.00 0.26 0.03 -0.04 2.15 2.40 2wk8A1 GLN 306 HB3 -0.00 -0.13 0.12 -0.04 2.02 1.96 2wk8A1 GLN 306 HG2 -0.00 -0.09 0.06 -0.04 2.40 2.33 2wk8A1 GLN 306 HG3 -0.00 0.22 0.10 -0.04 2.39 2.67 2wk8A1 GLN 306 HE21 0.00 -0.07 -0.06 -0.04 6.97 6.80 2wk8A1 GLN 306 HE22 -0.00 -0.01 -0.09 -0.04 7.69 7.55 2wk8A1 LEU 307 H -0.00 0.03 0.09 -0.55 8.37 7.94 2wk8A1 LEU 307 HA 0.00 -0.04 0.39 -0.75 4.35 3.95 2wk8A1 LEU 307 HB2 -0.03 0.84 0.70 -0.04 1.64 3.11 2wk8A1 LEU 307 HB3 -0.03 -0.09 0.13 -0.04 1.64 1.61 2wk8A1 LEU 307 HG 0.00 -0.06 0.04 -0.04 1.64 1.58 2wk8A1 LEU 307 HD13 -0.00 0.07 -0.25 -0.04 0.93 0.71 2wk8A1 LEU 307 HD23 -0.02 -0.00 -0.07 -0.04 0.89 0.75 2wk8A1 GLY 308 H -0.01 0.50 -0.66 -0.55 8.43 7.71 2wk8A1 GLY 308 HA2 0.00 -0.01 0.29 -0.51 4.01 3.78 2wk8A1 GLY 308 HA3 0.01 0.00 0.45 -0.51 4.01 3.96 2wk8A1 LEU 309 H -0.04 0.35 -0.25 -0.55 8.37 7.88 2wk8A1 LEU 309 HA -0.05 0.01 0.40 -0.75 4.35 3.96 2wk8A1 LEU 309 HB2 -0.10 0.27 -0.03 -0.04 1.64 1.73 2wk8A1 LEU 309 HB3 -0.16 -0.07 -0.13 -0.04 1.64 1.24 2wk8A1 LEU 309 HG -0.17 0.06 -0.08 -0.04 1.64 1.41 2wk8A1 LEU 309 HD13 -0.27 0.01 -0.04 -0.04 0.93 0.59 2wk8A1 LEU 309 HD23 -0.63 -0.02 -0.04 -0.04 0.89 0.15 2wk8A1 THR 310 H 0.00 0.20 0.14 -0.55 8.28 8.08 2wk8A1 THR 310 HA 0.01 0.06 0.63 -0.75 4.39 4.33 2wk8A1 THR 310 HB 0.04 -0.02 0.23 -0.04 4.32 4.53 2wk8A1 THR 310 HG23 0.02 -0.05 -0.07 -0.04 1.22 1.08 2wk8A1 ILE 311 H -0.01 0.29 0.07 -0.55 8.25 8.05 2wk8A1 ILE 311 HA -0.02 0.16 0.88 -0.75 4.18 4.45 2wk8A1 ILE 311 HB -0.01 0.04 0.15 -0.04 1.89 2.02 2wk8A1 ILE 311 HG12 -0.04 0.11 -0.71 -0.04 1.49 0.81 2wk8A1 ILE 311 HG13 -0.03 0.03 -0.28 -0.04 1.21 0.89 2wk8A1 ILE 311 HG23 -0.01 -0.01 -0.05 -0.04 0.93 0.82 2wk8A1 ILE 311 HD13 -0.06 0.03 -0.16 -0.04 0.88 0.65 2wk8A1 ARG 312 H -0.01 0.19 0.06 -0.55 8.46 8.15 2wk8A1 ARG 312 HA 0.02 0.13 0.41 -0.75 4.34 4.15 2wk8A1 ARG 312 HB2 -0.02 0.00 0.08 -0.04 1.90 1.93 2wk8A1 ARG 312 HB3 0.03 -0.09 0.02 -0.04 1.80 1.72 2wk8A1 ARG 312 HG2 0.03 0.06 -0.04 -0.04 1.67 1.68 2wk8A1 ARG 312 HG3 0.00 0.02 -0.06 -0.04 1.67 1.60 2wk8A1 ARG 312 HD2 0.07 -0.07 -0.02 -0.04 3.22 3.16 2wk8A1 ARG 312 HD3 0.06 0.02 -0.02 -0.04 3.22 3.24 2wk8A1 SER 313 H -0.00 -0.03 -0.22 -0.55 8.46 7.67 2wk8A1 SER 313 HA 0.02 -0.07 -0.14 -0.75 4.49 3.55 2wk8A1 SER 313 HB2 -0.01 0.06 0.30 -0.04 3.95 4.26 2wk8A1 SER 313 HB3 -0.00 -0.05 0.08 -0.04 3.93 3.92 2wk8A1 GLU 314 H 0.03 0.49 0.24 -0.55 8.60 8.82 2wk8A1 GLU 314 HA 0.02 0.18 0.49 -0.75 4.29 4.23 2wk8A1 GLU 314 HB2 0.04 -0.11 0.18 -0.04 2.09 2.16 2wk8A1 GLU 314 HB3 0.03 -0.02 0.24 -0.04 1.99 2.20 2wk8A1 GLU 314 HG2 0.03 0.04 0.07 -0.04 2.34 2.43 2wk8A1 GLU 314 HG3 0.03 0.18 -0.42 -0.04 2.34 2.09 2wk8A1 SER 315 H 0.02 0.29 0.09 -0.55 8.46 8.31 2wk8A1 SER 315 HA 0.06 0.17 0.77 -0.75 4.49 4.74 2wk8A1 SER 315 HB2 0.03 -0.12 0.15 -0.04 3.95 3.98 2wk8A1 SER 315 HB3 0.03 0.05 -0.27 -0.04 3.93 3.69 2wk8A1 GLN 316 H -0.01 0.14 0.13 -0.55 8.47 8.18 2wk8A1 GLN 316 HA -0.00 0.14 0.46 -0.75 4.36 4.20 2wk8A1 GLN 316 HB2 -0.01 0.03 0.10 -0.04 2.15 2.23 2wk8A1 GLN 316 HB3 -0.06 0.00 0.06 -0.04 2.02 1.98 2wk8A1 GLN 316 HG2 -0.25 0.02 -0.33 -0.04 2.40 1.80 2wk8A1 GLN 316 HG3 -0.49 0.07 -0.02 -0.04 2.39 1.91 2wk8A1 GLN 316 HE21 -0.32 0.41 0.14 -0.04 6.97 7.16 2wk8A1 GLN 316 HE22 -1.86 -0.06 0.01 -0.04 7.69 5.74 2wk8A1 ILE 317 H -0.03 -0.03 -0.39 -0.55 8.25 7.26 2wk8A1 ILE 317 HA 0.04 0.25 0.97 -0.75 4.18 4.68 2wk8A1 ILE 317 HB -0.05 -0.14 0.01 -0.04 1.89 1.67 2wk8A1 ILE 317 HG12 0.10 0.09 -0.08 -0.04 1.49 1.56 2wk8A1 ILE 317 HG13 -0.06 -0.10 -0.14 -0.04 1.21 0.87 2wk8A1 ILE 317 HG23 -0.07 0.02 -0.48 -0.04 0.93 0.36 2wk8A1 ILE 317 HD13 -0.26 0.00 -0.12 -0.04 0.88 0.47 2wk8A1 ILE 318 H 0.02 0.72 0.20 -0.55 8.25 8.64 2wk8A1 ILE 318 HA -0.01 0.12 0.95 -0.75 4.18 4.49 2wk8A1 ILE 318 HB 0.02 0.03 0.11 -0.04 1.89 2.01 2wk8A1 ILE 318 HG12 0.00 0.05 -0.22 -0.04 1.49 1.28 2wk8A1 ILE 318 HG13 0.01 -0.02 -0.42 -0.04 1.21 0.75 2wk8A1 ILE 318 HG23 -0.01 -0.01 -0.21 -0.04 0.93 0.66 2wk8A1 ILE 318 HD13 0.00 0.02 -0.13 -0.04 0.88 0.73 2wk8A1 GLY 319 H -0.03 0.17 0.11 -0.55 8.43 8.14 2wk8A1 GLY 319 HA2 -0.01 0.14 0.83 -0.51 4.01 4.46 2wk8A1 GLY 319 HA3 -0.06 0.01 0.27 -0.51 4.01 3.72 2wk8A1 LEU 320 H 0.03 0.52 0.20 -0.55 8.37 8.58 2wk8A1 LEU 320 HA 0.01 0.18 0.81 -0.75 4.35 4.60 2wk8A1 LEU 320 HB2 0.11 -0.09 0.21 -0.04 1.64 1.83 2wk8A1 LEU 320 HB3 0.20 0.05 0.00 -0.04 1.64 1.85 2wk8A1 LEU 320 HG 0.02 0.01 0.03 -0.04 1.64 1.66 2wk8A1 LEU 320 HD13 0.08 0.00 -0.03 -0.04 0.93 0.93 2wk8A1 LEU 320 HD23 -0.12 0.02 -0.07 -0.04 0.89 0.68 2wk8A1 GLU 321 H 0.09 0.29 0.17 -0.55 8.60 8.60 2wk8A1 GLU 321 HA 0.04 0.22 0.82 -0.75 4.29 4.61 2wk8A1 GLU 321 HB2 0.09 -0.10 0.26 -0.04 2.09 2.30 2wk8A1 GLU 321 HB3 0.04 -0.02 0.10 -0.04 1.99 2.07 2wk8A1 GLU 321 HG2 -0.01 -0.00 -0.17 -0.04 2.34 2.12 2wk8A1 GLU 321 HG3 0.02 0.24 0.11 -0.04 2.34 2.67 2wk8A1 THR 322 H -0.00 0.53 0.15 -0.55 8.28 8.41 2wk8A1 THR 322 HA -0.24 0.25 0.81 -0.75 4.39 4.45 2wk8A1 THR 322 HB -0.35 0.05 0.02 -0.04 4.32 3.99 2wk8A1 THR 322 HG23 -0.05 0.03 -0.22 -0.04 1.22 0.93 2wk8A1 GLY 323 H -0.02 0.04 -0.14 -0.55 8.43 7.76 2wk8A1 GLY 323 HA2 0.07 0.16 0.37 -0.51 4.01 4.10 2wk8A1 GLY 323 HA3 -0.02 -0.04 0.28 -0.51 4.01 3.71 2wk8A1 ASP 324 H 0.07 0.06 0.22 -0.55 8.40 8.19 2wk8A1 ASP 324 HA -0.01 0.16 0.47 -0.75 4.63 4.50 2wk8A1 ASP 324 HB2 0.00 -0.05 0.19 -0.04 2.71 2.81 2wk8A1 ASP 324 HB3 0.05 0.05 0.17 -0.04 2.70 2.93 2wk8A1 GLU 325 H -0.04 0.20 0.23 -0.55 8.60 8.45 2wk8A1 GLU 325 HA -0.07 0.10 0.33 -0.75 4.29 3.90 2wk8A1 GLU 325 HB2 -0.08 -0.01 0.17 -0.04 2.09 2.12 2wk8A1 GLU 325 HB3 -0.09 0.07 0.09 -0.04 1.99 2.02 2wk8A1 GLU 325 HG2 -0.05 -0.00 0.13 -0.04 2.34 2.37 2wk8A1 GLU 325 HG3 -0.06 0.04 0.22 -0.04 2.34 2.50 2wk8A1 ARG 326 H -0.04 0.07 -0.05 -0.55 8.46 7.89 2wk8A1 ARG 326 HA -0.04 0.13 0.47 -0.75 4.34 4.14 2wk8A1 ARG 326 HB2 -0.01 -0.11 0.10 -0.04 1.90 1.84 2wk8A1 ARG 326 HB3 -0.01 0.09 -0.01 -0.04 1.80 1.83 2wk8A1 ARG 326 HG2 -0.03 0.08 0.06 -0.04 1.67 1.74 2wk8A1 ARG 326 HG3 -0.03 -0.06 0.09 -0.04 1.67 1.62 2wk8A1 ARG 326 HD2 -0.02 0.03 0.03 -0.04 3.22 3.22 2wk8A1 ARG 326 HD3 -0.00 -0.04 0.03 -0.04 3.22 3.17 2wk8A1 ASN 327 H -0.06 0.01 -0.18 -0.55 8.53 7.76 2wk8A1 ASN 327 HA -0.10 0.05 0.42 -0.75 4.76 4.38 2wk8A1 ASN 327 HB2 -0.07 -0.11 0.13 -0.04 2.88 2.79 2wk8A1 ASN 327 HB3 -0.35 0.20 0.11 -0.04 2.79 2.71 2wk8A1 ASN 327 HD21 -1.14 0.42 0.03 -0.04 7.03 6.30 2wk8A1 ASN 327 HD22 -0.98 0.42 -0.22 -0.04 7.74 6.92 2wk8A1 THR 328 H -0.14 0.54 -0.23 -0.55 8.28 7.89 2wk8A1 THR 328 HA -0.23 0.04 0.45 -0.75 4.39 3.90 2wk8A1 THR 328 HB -0.09 0.03 0.04 -0.04 4.32 4.26 2wk8A1 THR 328 HG23 -0.06 -0.03 -0.24 -0.04 1.22 0.85 2wk8A1 GLU 329 H -0.09 0.68 -0.03 -0.55 8.60 8.61 2wk8A1 GLU 329 HA -0.07 0.01 0.39 -0.75 4.29 3.87 2wk8A1 GLU 329 HB2 -0.06 -0.00 0.16 -0.04 2.09 2.15 2wk8A1 GLU 329 HB3 -0.05 0.14 0.20 -0.04 1.99 2.25 2wk8A1 GLU 329 HG2 -0.02 -0.02 -0.14 -0.04 2.34 2.12 2wk8A1 GLU 329 HG3 -0.03 0.01 0.05 -0.04 2.34 2.33 2wk8A1 LYS 330 H -0.10 0.40 -0.27 -0.55 8.42 7.89 2wk8A1 LYS 330 HA 0.01 0.01 0.32 -0.75 4.32 3.90 2wk8A1 LYS 330 HB2 -0.05 0.06 0.16 -0.04 1.87 2.00 2wk8A1 LYS 330 HB3 0.26 0.03 -0.07 -0.04 1.79 1.97 2wk8A1 LYS 330 HG2 0.07 -0.02 0.02 -0.04 1.46 1.50 2wk8A1 LYS 330 HG3 0.01 0.05 0.05 -0.04 1.46 1.52 2wk8A1 LYS 330 HD2 0.12 0.20 0.05 -0.04 1.69 2.02 2wk8A1 LYS 330 HD3 0.05 -0.05 0.02 -0.04 1.68 1.66 2wk8A1 LYS 330 HE2 -0.00 0.09 -0.33 -0.04 2.99 2.70 2wk8A1 LYS 330 HE3 0.03 -0.06 0.01 -0.04 2.99 2.92 2wk8A1 VAL 331 H -0.49 0.54 -0.06 -0.55 8.24 7.68 2wk8A1 VAL 331 HA -1.40 0.03 0.38 -0.75 4.13 2.39 2wk8A1 VAL 331 HB -0.37 0.04 0.11 -0.04 2.12 1.85 2wk8A1 VAL 331 HG13 -0.19 -0.02 -0.10 -0.04 0.97 0.62 2wk8A1 VAL 331 HG23 -1.01 0.11 0.07 -0.04 0.95 0.08 2wk8A1 ARG 332 H -0.19 0.64 -0.28 -0.55 8.46 8.09 2wk8A1 ARG 332 HA -0.09 -0.06 0.25 -0.75 4.34 3.68 2wk8A1 ARG 332 HB2 -0.07 -0.04 0.02 -0.04 1.90 1.77 2wk8A1 ARG 332 HB3 -0.07 0.16 0.19 -0.04 1.80 2.04 2wk8A1 ARG 332 HG2 -0.07 -0.02 -0.32 -0.04 1.67 1.22 2wk8A1 ARG 332 HG3 -0.04 -0.09 -0.08 -0.04 1.67 1.43 2wk8A1 ARG 332 HD2 0.00 -0.05 -0.17 -0.04 3.22 2.96 2wk8A1 ARG 332 HD3 -0.02 0.02 -0.09 -0.04 3.22 3.09 2wk8A1 ASP 333 H -0.05 0.73 0.04 -0.55 8.40 8.57 2wk8A1 ASP 333 HA -0.04 -0.05 0.46 -0.75 4.63 4.25 2wk8A1 ASP 333 HB2 0.04 0.13 0.15 -0.04 2.71 2.98 2wk8A1 ASP 333 HB3 0.04 -0.06 0.02 -0.04 2.70 2.66 2wk8A1 TYR 334 H 0.09 0.58 -0.26 -0.55 8.29 8.15 2wk8A1 TYR 334 HA 0.08 -0.03 0.37 -0.75 4.56 4.23 2wk8A1 TYR 334 HB2 0.38 0.03 0.09 -0.04 3.06 3.51 2wk8A1 TYR 334 HB3 0.01 0.10 0.17 -0.04 2.98 3.23 2wk8A1 TYR 334 HD2 0.24 -0.00 -0.07 -0.04 7.15 7.28 2wk8A1 TYR 334 HE2 0.23 0.04 -0.02 -0.04 6.85 7.05 2wk8A1 LEU 335 H 0.01 0.63 0.01 -0.55 8.37 8.48 2wk8A1 LEU 335 HA -0.08 -0.04 0.43 -0.75 4.35 3.91 2wk8A1 LEU 335 HB2 -0.09 0.11 0.15 -0.04 1.64 1.76 2wk8A1 LEU 335 HB3 -0.12 0.05 -0.06 -0.04 1.64 1.46 2wk8A1 LEU 335 HG 0.05 -0.07 -0.05 -0.04 1.64 1.53 2wk8A1 LEU 335 HD13 0.20 0.08 -0.02 -0.04 0.93 1.15 2wk8A1 LEU 335 HD23 0.02 -0.03 -0.11 -0.04 0.89 0.72 2wk8A1 GLU 336 H -0.24 0.55 -0.02 -0.55 8.60 8.35 2wk8A1 GLU 336 HA -1.01 0.11 0.51 -0.75 4.29 3.14 2wk8A1 GLU 336 HB2 -0.21 0.00 0.09 -0.04 2.09 1.93 2wk8A1 GLU 336 HB3 -0.51 -0.10 0.04 -0.04 1.99 1.38 2wk8A1 GLU 336 HG2 -0.77 0.08 0.11 -0.04 2.34 1.72 2wk8A1 GLU 336 HG3 -0.26 0.41 0.10 -0.04 2.34 2.55 2wk8A1 SER 337 H -0.15 0.59 -0.11 -0.55 8.46 8.24 2wk8A1 SER 337 HA -0.04 -0.07 0.50 -0.75 4.49 4.12 2wk8A1 SER 337 HB2 -0.16 0.16 0.18 -0.04 3.95 4.09 2wk8A1 SER 337 HB3 -0.07 -0.13 0.04 -0.04 3.93 3.73 2wk8A1 ASN 338 H -0.22 0.30 -0.30 -0.55 8.53 7.77 2wk8A1 ASN 338 HA -0.08 0.07 0.76 -0.75 4.76 4.76 2wk8A1 ASN 338 HB2 -0.16 0.11 0.16 -0.04 2.88 2.95 2wk8A1 ASN 338 HB3 -0.09 -0.22 0.22 -0.04 2.79 2.66 2wk8A1 ASN 338 HD21 -0.66 -0.08 -0.01 -0.04 7.03 6.23 2wk8A1 ASN 338 HD22 -0.49 0.50 0.17 -0.04 7.74 7.87 2wk8A1 GLY 339 H -0.02 0.04 0.12 -0.55 8.43 8.03 2wk8A1 GLY 339 HA2 0.14 0.11 0.28 -0.51 4.01 4.03 2wk8A1 GLY 339 HA3 0.07 -0.08 0.40 -0.51 4.01 3.89 2wk8A1 VAL 340 H -0.11 0.75 -0.39 -0.55 8.24 7.93 2wk8A1 VAL 340 HA 0.13 0.22 0.87 -0.75 4.13 4.59 2wk8A1 VAL 340 HB -0.06 0.04 0.01 -0.04 2.12 2.07 2wk8A1 VAL 340 HG13 0.03 -0.02 -0.21 -0.04 0.97 0.72 2wk8A1 VAL 340 HG23 0.02 -0.03 -0.13 -0.04 0.95 0.77 2wk8A1 PHE 341 H 0.29 0.56 0.28 -0.55 8.34 8.91 2wk8A1 PHE 341 HA 0.03 0.14 0.76 -0.75 4.62 4.80 2wk8A1 PHE 341 HB2 0.02 -0.13 0.14 -0.04 3.15 3.14 2wk8A1 PHE 341 HB3 0.02 0.05 0.03 -0.04 3.06 3.13 2wk8A1 PHE 341 HD2 0.01 0.02 -0.20 -0.04 7.28 7.07 2wk8A1 PHE 341 HE2 0.00 0.08 -0.12 -0.04 7.38 7.29 2wk8A1 PHE 341 HZ -0.00 0.09 -0.07 -0.04 7.32 7.29 2wk8A1 GLY 342 H 0.12 0.22 0.03 -0.55 8.43 8.26 2wk8A1 GLY 342 HA2 0.06 0.07 0.18 -0.51 4.01 3.82 2wk8A1 GLY 342 HA3 0.05 0.13 0.33 -0.51 4.01 4.01 2wk8A1 SER 343 H 0.13 0.39 0.15 -0.55 8.46 8.58 2wk8A1 SER 343 HA 0.07 0.21 0.85 -0.75 4.49 4.87 2wk8A1 SER 343 HB2 0.05 -0.01 0.08 -0.04 3.95 4.03 2wk8A1 SER 343 HB3 0.12 0.01 0.02 -0.04 3.93 4.03 2wk8A1 VAL 344 H 0.01 0.23 0.10 -0.55 8.24 8.03 2wk8A1 VAL 344 HA 0.09 0.13 0.52 -0.75 4.13 4.10 2wk8A1 VAL 344 HB 0.01 -0.05 0.07 -0.04 2.12 2.11 2wk8A1 VAL 344 HG13 0.03 -0.04 -0.42 -0.04 0.97 0.50 2wk8A1 VAL 344 HG23 0.01 0.06 -0.14 -0.04 0.95 0.84 2wk8A1 PHE 345 H 0.27 1.10 0.52 -0.55 8.34 9.68 2wk8A1 PHE 345 HA 0.07 0.11 1.02 -0.75 4.62 5.07 2wk8A1 PHE 345 HB2 0.02 0.06 0.24 -0.04 3.15 3.43 2wk8A1 PHE 345 HB3 0.04 -0.05 0.00 -0.04 3.06 3.01 2wk8A1 PHE 345 HD2 0.06 0.05 -0.05 -0.04 7.28 7.31 2wk8A1 PHE 345 HE2 0.10 -0.03 -0.04 -0.04 7.38 7.36 2wk8A1 PHE 345 HZ 0.11 -0.03 -0.05 -0.04 7.32 7.30 2wk8A1 CYS 346 H 0.09 0.21 0.07 -0.55 8.50 8.33 2wk8A1 CYS 346 HA 0.09 0.18 0.69 -0.75 4.58 4.78 2wk8A1 CYS 346 HB2 0.05 -0.10 0.16 -0.04 2.97 3.04 2wk8A1 CYS 346 HB3 0.04 0.05 -0.15 -0.04 2.97 2.87 2wk8A1 ARG 347 H 0.08 0.14 0.07 -0.55 8.46 8.19 2wk8A1 ARG 347 HA 0.08 0.16 0.43 -0.75 4.34 4.26 2wk8A1 ARG 347 HB2 0.11 0.02 0.09 -0.04 1.90 2.08 2wk8A1 ARG 347 HB3 0.06 0.02 0.09 -0.04 1.80 1.92 2wk8A1 ARG 347 HG2 0.14 -0.08 0.12 -0.04 1.67 1.81 2wk8A1 ARG 347 HG3 0.26 0.05 -0.04 -0.04 1.67 1.89 2wk8A1 ARG 347 HD2 0.01 -0.07 0.08 -0.04 3.22 3.20 2wk8A1 ARG 347 HD3 -0.05 0.04 0.08 -0.04 3.22 3.25 2wk8A1 PRO 348 HA 0.07 0.08 0.35 -0.51 4.44 4.42 2wk8A1 PRO 348 HB2 0.05 0.01 -0.02 -0.04 2.28 2.28 2wk8A1 PRO 348 HB3 0.05 0.04 0.09 -0.04 2.02 2.16 2wk8A1 PRO 348 HG2 0.05 0.01 0.05 -0.04 2.03 2.10 2wk8A1 PRO 348 HG3 0.07 0.05 0.04 -0.04 2.03 2.15 2wk8A1 PRO 348 HD2 0.08 0.02 0.18 -0.04 3.68 3.91 2wk8A1 PRO 348 HD3 0.10 0.20 0.50 -0.04 3.65 4.41 2wk8A1 ALA 349 H 0.11 0.32 -0.00 -0.55 8.40 8.27 2wk8A1 ALA 349 HA 0.08 -0.02 0.43 -0.75 4.34 4.09 2wk8A1 ALA 349 HB3 0.23 0.00 0.08 -0.04 1.41 1.68 2wk8A1 THR 350 H 0.10 0.34 -0.54 -0.55 8.28 7.63 2wk8A1 THR 350 HA 0.07 0.18 0.76 -0.75 4.39 4.66 2wk8A1 THR 350 HB 0.06 0.15 -0.01 -0.04 4.32 4.48 2wk8A1 THR 350 HG23 0.12 -0.02 -0.29 -0.04 1.22 0.99 2wk8A1 SER 351 H 0.05 0.14 0.02 -0.55 8.46 8.12 2wk8A1 SER 351 HA 0.01 0.12 0.57 -0.75 4.49 4.43 2wk8A1 SER 351 HB2 -0.01 0.10 0.08 -0.04 3.95 4.07 2wk8A1 SER 351 HB3 0.02 0.04 0.09 -0.04 3.93 4.04 2wk8A1 LYS 352 H 0.00 0.18 0.12 -0.55 8.42 8.17 2wk8A1 LYS 352 HA 0.01 0.05 0.23 -0.75 4.32 3.85 2wk8A1 LYS 352 HB2 -0.01 0.05 0.16 -0.04 1.87 2.03 2wk8A1 LYS 352 HB3 -0.01 -0.02 0.11 -0.04 1.79 1.83 2wk8A1 LYS 352 HG2 -0.03 -0.05 -0.14 -0.04 1.46 1.20 2wk8A1 LYS 352 HG3 -0.05 0.02 0.09 -0.04 1.46 1.49 2wk8A1 LYS 352 HD2 -0.05 0.02 0.02 -0.04 1.69 1.64 2wk8A1 LYS 352 HD3 -0.04 0.04 0.04 -0.04 1.68 1.68 2wk8A1 LYS 352 HE2 -0.01 -0.04 0.02 -0.04 2.99 2.92 2wk8A1 LYS 352 HE3 -0.02 -0.02 -0.02 -0.04 2.99 2.89 2wk8A1 ASN 353 H 0.01 0.06 -0.29 -0.55 8.53 7.76 2wk8A1 ASN 353 HA 0.01 0.16 0.83 -0.75 4.76 5.00 2wk8A1 ASN 353 HB2 0.02 0.03 -0.01 -0.04 2.88 2.88 2wk8A1 ASN 353 HB3 0.04 -0.01 0.11 -0.04 2.79 2.88 2wk8A1 ASN 353 HD21 -0.01 0.05 -0.02 -0.04 7.03 7.01 2wk8A1 ASN 353 HD22 0.00 0.02 -0.02 -0.04 7.74 7.70 2wk8A1 LYS 354 H 0.02 0.49 -0.43 -0.55 8.42 7.94 2wk8A1 LYS 354 HA 0.03 0.15 0.84 -0.75 4.32 4.58 2wk8A1 LYS 354 HB2 0.03 -0.08 0.09 -0.04 1.87 1.87 2wk8A1 LYS 354 HB3 0.03 0.01 0.13 -0.04 1.79 1.92 2wk8A1 LYS 354 HG2 0.03 0.13 -0.19 -0.04 1.46 1.39 2wk8A1 LYS 354 HG3 0.02 -0.13 -0.26 -0.04 1.46 1.05 2wk8A1 LYS 354 HD2 0.03 -0.04 -0.02 -0.04 1.69 1.62 2wk8A1 LYS 354 HD3 0.04 0.02 -0.01 -0.04 1.68 1.69 2wk8A1 LYS 354 HE2 0.02 0.04 -0.06 -0.04 2.99 2.95 2wk8A1 LYS 354 HE3 0.00 -0.02 -0.05 -0.04 2.99 2.88 2wk8A1 ASN 355 H 0.00 0.48 -0.24 -0.55 8.53 8.22 2wk8A1 ASN 355 HA 0.05 0.11 0.55 -0.75 4.76 4.71 2wk8A1 ASN 355 HB2 -0.03 0.18 -0.12 -0.04 2.88 2.86 2wk8A1 ASN 355 HB3 0.01 0.01 -0.04 -0.04 2.79 2.73 2wk8A1 ASN 355 HD21 -0.02 -0.04 0.06 -0.04 7.03 6.99 2wk8A1 ASN 355 HD22 -0.04 0.05 -0.33 -0.04 7.74 7.38 2wk8A1 ILE 356 H 0.10 0.63 0.34 -0.55 8.25 8.77 2wk8A1 ILE 356 HA 0.03 0.28 0.99 -0.75 4.18 4.73 2wk8A1 ILE 356 HB 0.03 -0.09 0.06 -0.04 1.89 1.86 2wk8A1 ILE 356 HG12 -0.09 -0.08 -0.21 -0.04 1.49 1.07 2wk8A1 ILE 356 HG13 -0.02 0.12 -0.16 -0.04 1.21 1.11 2wk8A1 ILE 356 HG23 -0.01 0.02 -0.28 -0.04 0.93 0.61 2wk8A1 ILE 356 HD13 -0.04 -0.07 -0.28 -0.04 0.88 0.45 2wk8A1 ILE 357 H 0.06 0.47 0.21 -0.55 8.25 8.44 2wk8A1 ILE 357 HA 0.13 0.23 0.93 -0.75 4.18 4.72 2wk8A1 ILE 357 HB 0.06 0.01 0.15 -0.04 1.89 2.07 2wk8A1 ILE 357 HG12 0.02 -0.01 -0.15 -0.04 1.49 1.31 2wk8A1 ILE 357 HG13 0.01 -0.07 -0.20 -0.04 1.21 0.90 2wk8A1 ILE 357 HG23 0.05 -0.01 -0.21 -0.04 0.93 0.72 2wk8A1 ILE 357 HD13 -0.05 0.04 -0.11 -0.04 0.88 0.72 2wk8A1 ARG 358 H 0.25 0.68 0.26 -0.55 8.46 9.10 2wk8A1 ARG 358 HA 0.04 0.14 0.66 -0.75 4.34 4.43 2wk8A1 ARG 358 HB2 -0.05 -0.04 0.06 -0.04 1.90 1.83 2wk8A1 ARG 358 HB3 0.29 -0.02 0.16 -0.04 1.80 2.20 2wk8A1 ARG 358 HG2 0.09 -0.05 -0.46 -0.04 1.67 1.21 2wk8A1 ARG 358 HG3 -0.02 0.04 -0.21 -0.04 1.67 1.44 2wk8A1 ARG 358 HD2 -0.07 -0.04 -0.07 -0.04 3.22 3.00 2wk8A1 ARG 358 HD3 -0.35 0.01 0.07 -0.04 3.22 2.91 2wk8A1 LEU 359 H 0.05 0.93 0.45 -0.55 8.37 9.25 2wk8A1 LEU 359 HA 0.09 0.16 1.02 -0.75 4.35 4.87 2wk8A1 LEU 359 HB2 0.04 0.05 0.23 -0.04 1.64 1.91 2wk8A1 LEU 359 HB3 0.06 -0.02 -0.02 -0.04 1.64 1.61 2wk8A1 LEU 359 HG 0.06 -0.01 -0.08 -0.04 1.64 1.57 2wk8A1 LEU 359 HD13 0.06 0.05 -0.27 -0.04 0.93 0.73 2wk8A1 LEU 359 HD23 0.02 0.00 -0.08 -0.04 0.89 0.80 2wk8A1 SER 360 H 0.12 0.58 0.11 -0.55 8.46 8.72 2wk8A1 SER 360 HA 0.16 0.10 0.86 -0.75 4.49 4.85 2wk8A1 SER 360 HB2 0.15 -0.11 -0.26 -0.04 3.95 3.69 2wk8A1 SER 360 HB3 0.28 0.04 -0.14 -0.04 3.93 4.07 2wk8A1 LEU 361 H 0.13 0.69 0.30 -0.55 8.37 8.94 2wk8A1 LEU 361 HA 0.10 0.07 0.62 -0.75 4.35 4.39 2wk8A1 LEU 361 HB2 0.07 -0.01 0.16 -0.04 1.64 1.81 2wk8A1 LEU 361 HB3 0.07 -0.01 0.04 -0.04 1.64 1.69 2wk8A1 LEU 361 HG 0.04 0.11 -0.01 -0.04 1.64 1.74 2wk8A1 LEU 361 HD13 0.01 -0.01 -0.14 -0.04 0.93 0.75 2wk8A1 LEU 361 HD23 0.06 -0.01 -0.16 -0.04 0.89 0.73 2wk8A1 ASN 362 H 0.11 0.19 0.26 -0.55 8.53 8.54 2wk8A1 ASN 362 HA 0.20 0.27 0.63 -0.75 4.76 5.11 2wk8A1 ASN 362 HB2 0.11 -0.02 0.08 -0.04 2.88 3.01 2wk8A1 ASN 362 HB3 0.13 0.11 -0.18 -0.04 2.79 2.80 2wk8A1 ASN 362 HD21 0.06 0.07 0.02 -0.04 7.03 7.15 2wk8A1 ASN 362 HD22 0.08 0.07 -0.07 -0.04 7.74 7.78 2wk8A1 SER 363 H 0.12 0.54 0.26 -0.55 8.46 8.84 2wk8A1 SER 363 HA 0.21 0.09 0.25 -0.75 4.49 4.28 2wk8A1 SER 363 HB2 0.12 -0.03 0.23 -0.04 3.95 4.23 2wk8A1 SER 363 HB3 0.11 0.09 0.20 -0.04 3.93 4.28 2wk8A1 ASP 364 H 0.09 -0.02 -0.64 -0.55 8.40 7.28 2wk8A1 ASP 364 HA 0.02 0.18 0.79 -0.75 4.63 4.87 2wk8A1 ASP 364 HB2 0.05 -0.06 -0.01 -0.04 2.71 2.65 2wk8A1 ASP 364 HB3 0.03 0.02 0.02 -0.04 2.70 2.72 2wk8A1 VAL 365 H 0.11 0.47 0.03 -0.55 8.24 8.30 2wk8A1 VAL 365 HA 0.07 0.04 0.63 -0.75 4.13 4.12 2wk8A1 VAL 365 HB 0.08 0.04 0.11 -0.04 2.12 2.31 2wk8A1 VAL 365 HG13 0.06 0.01 -0.03 -0.04 0.97 0.96 2wk8A1 VAL 365 HG23 0.08 0.02 0.13 -0.04 0.95 1.14 2wk8A1 ASN 366 H 0.07 0.09 0.20 -0.55 8.53 8.34 2wk8A1 ASN 366 HA 0.23 0.30 0.90 -0.75 4.76 5.43 2wk8A1 ASN 366 HB2 0.07 -0.07 0.14 -0.04 2.88 2.98 2wk8A1 ASN 366 HB3 0.06 0.19 -0.04 -0.04 2.79 2.97 2wk8A1 ASN 366 HD21 0.03 0.04 0.02 -0.04 7.03 7.07 2wk8A1 ASN 366 HD22 0.03 0.10 0.03 -0.04 7.74 7.85 2wk8A1 ASP 367 H 0.10 0.22 0.15 -0.55 8.40 8.33 2wk8A1 ASP 367 HA 0.02 0.09 0.31 -0.75 4.63 4.30 2wk8A1 ASP 367 HB2 0.04 -0.03 0.15 -0.04 2.71 2.83 2wk8A1 ASP 367 HB3 0.02 0.06 0.03 -0.04 2.70 2.77 2wk8A1 GLU 368 H 0.04 0.10 -0.13 -0.55 8.60 8.05 2wk8A1 GLU 368 HA 0.02 0.07 0.38 -0.75 4.29 4.01 2wk8A1 GLU 368 HB2 0.02 0.01 0.10 -0.04 2.09 2.18 2wk8A1 GLU 368 HB3 0.03 -0.03 0.04 -0.04 1.99 1.99 2wk8A1 GLU 368 HG2 0.02 0.04 -0.21 -0.04 2.34 2.16 2wk8A1 GLU 368 HG3 0.02 -0.01 0.04 -0.04 2.34 2.34 2wk8A1 GLN 369 H 0.04 0.19 -0.29 -0.55 8.47 7.86 2wk8A1 GLN 369 HA 0.03 0.08 0.44 -0.75 4.36 4.16 2wk8A1 GLN 369 HB2 0.05 0.01 0.20 -0.04 2.15 2.37 2wk8A1 GLN 369 HB3 0.04 0.04 0.00 -0.04 2.02 2.07 2wk8A1 GLN 369 HG2 0.04 0.09 0.04 -0.04 2.40 2.53 2wk8A1 GLN 369 HG3 0.03 -0.07 0.01 -0.04 2.39 2.32 2wk8A1 GLN 369 HE21 0.03 0.05 0.04 -0.04 6.97 7.04 2wk8A1 GLN 369 HE22 0.03 0.09 0.01 -0.04 7.69 7.78 2wk8A1 ILE 370 H 0.03 0.37 -0.08 -0.55 8.25 8.02 2wk8A1 ILE 370 HA 0.02 0.05 0.42 -0.75 4.18 3.91 2wk8A1 ILE 370 HB 0.01 0.06 0.12 -0.04 1.89 2.04 2wk8A1 ILE 370 HG12 0.01 0.06 -0.11 -0.04 1.49 1.41 2wk8A1 ILE 370 HG13 -0.01 0.01 -0.03 -0.04 1.21 1.14 2wk8A1 ILE 370 HG23 0.00 -0.01 -0.20 -0.04 0.93 0.68 2wk8A1 ILE 370 HD13 0.02 -0.01 -0.10 -0.04 0.88 0.74 2wk8A1 ALA 371 H 0.02 0.46 -0.09 -0.55 8.40 8.24 2wk8A1 ALA 371 HA 0.01 0.00 0.30 -0.75 4.34 3.91 2wk8A1 ALA 371 HB3 0.01 0.04 0.10 -0.04 1.41 1.51 2wk8A1 LYS 372 H 0.02 0.46 -0.19 -0.55 8.42 8.16 2wk8A1 LYS 372 HA 0.01 -0.03 0.41 -0.75 4.32 3.96 2wk8A1 LYS 372 HB2 0.02 -0.01 0.14 -0.04 1.87 1.98 2wk8A1 LYS 372 HB3 0.02 0.14 0.18 -0.04 1.79 2.09 2wk8A1 LYS 372 HG2 0.02 0.02 -0.04 -0.04 1.46 1.43 2wk8A1 LYS 372 HG3 0.01 -0.07 -0.05 -0.04 1.46 1.31 2wk8A1 LYS 372 HD2 0.01 0.01 0.04 -0.04 1.69 1.70 2wk8A1 LYS 372 HD3 0.01 -0.00 0.03 -0.04 1.68 1.68 2wk8A1 LYS 372 HE2 -0.00 -0.02 0.04 -0.04 2.99 2.96 2wk8A1 LYS 372 HE3 0.00 -0.01 0.04 -0.04 2.99 2.98 2wk8A1 ILE 373 H 0.02 0.55 -0.09 -0.55 8.25 8.18 2wk8A1 ILE 373 HA 0.03 -0.03 0.33 -0.75 4.18 3.75 2wk8A1 ILE 373 HB 0.02 0.10 0.17 -0.04 1.89 2.14 2wk8A1 ILE 373 HG12 0.04 -0.04 -0.02 -0.04 1.49 1.43 2wk8A1 ILE 373 HG13 0.04 0.19 0.10 -0.04 1.21 1.49 2wk8A1 ILE 373 HG23 0.02 -0.02 -0.16 -0.04 0.93 0.74 2wk8A1 ILE 373 HD13 0.04 -0.04 -0.12 -0.04 0.88 0.72 2wk8A1 ILE 374 H 0.01 0.59 -0.09 -0.55 8.25 8.21 2wk8A1 ILE 374 HA 0.00 0.06 0.44 -0.75 4.18 3.93 2wk8A1 ILE 374 HB 0.01 0.04 0.12 -0.04 1.89 2.02 2wk8A1 ILE 374 HG12 -0.00 0.03 -0.04 -0.04 1.49 1.44 2wk8A1 ILE 374 HG13 0.01 0.11 -0.04 -0.04 1.21 1.24 2wk8A1 ILE 374 HG23 0.00 0.00 -0.15 -0.04 0.93 0.74 2wk8A1 ILE 374 HD13 0.00 -0.03 -0.12 -0.04 0.88 0.68 2wk8A1 GLU 375 H 0.01 0.69 0.04 -0.55 8.60 8.80 2wk8A1 GLU 375 HA 0.02 -0.01 0.43 -0.75 4.29 3.98 2wk8A1 GLU 375 HB2 0.01 -0.05 0.10 -0.04 2.09 2.11 2wk8A1 GLU 375 HB3 0.01 0.15 0.23 -0.04 1.99 2.34 2wk8A1 GLU 375 HG2 0.01 0.03 -0.39 -0.04 2.34 1.95 2wk8A1 GLU 375 HG3 0.01 -0.05 -0.02 -0.04 2.34 2.24 2wk8A1 VAL 376 H 0.02 0.81 -0.03 -0.55 8.24 8.49 2wk8A1 VAL 376 HA 0.04 -0.02 0.44 -0.75 4.13 3.84 2wk8A1 VAL 376 HB 0.03 0.09 0.08 -0.04 2.12 2.28 2wk8A1 VAL 376 HG13 -0.01 -0.01 0.01 -0.04 0.97 0.91 2wk8A1 VAL 376 HG23 -0.01 0.04 0.07 -0.04 0.95 1.01 2wk8A1 CYS 377 H 0.05 0.46 -0.31 -0.55 8.50 8.15 2wk8A1 CYS 377 HA 0.14 0.02 0.67 -0.75 4.58 4.66 2wk8A1 CYS 377 HB2 0.00 0.13 0.20 -0.04 2.97 3.27 2wk8A1 CYS 377 HB3 -0.05 -0.04 0.01 -0.04 2.97 2.85 2wk8A1 SER 378 H 0.04 0.73 0.07 -0.55 8.46 8.75 2wk8A1 SER 378 HA 0.03 0.09 0.54 -0.75 4.49 4.41 2wk8A1 SER 378 HB2 0.02 -0.01 0.08 -0.04 3.95 4.00 2wk8A1 SER 378 HB3 0.03 0.03 0.20 -0.04 3.93 4.15 2wk8A1 ASP 379 H 0.08 0.66 -0.09 -0.55 8.40 8.51 2wk8A1 ASP 379 HA 0.09 -0.02 0.42 -0.75 4.63 4.37 2wk8A1 ASP 379 HB2 0.17 0.14 0.13 -0.04 2.71 3.12 2wk8A1 ASP 379 HB3 0.06 -0.06 0.00 -0.04 2.70 2.67 2wk8A1 ALA 380 H 0.28 0.42 -0.27 -0.55 8.40 8.28 2wk8A1 ALA 380 HA -0.17 -0.01 0.29 -0.75 4.34 3.69 2wk8A1 ALA 380 HB3 0.48 0.04 0.10 -0.04 1.41 1.99 2wk8A1 VAL 381 H 0.12 0.36 -0.92 -0.55 8.24 7.24 2wk8A1 VAL 381 HA 0.09 0.02 0.99 -0.75 4.13 4.48 2wk8A1 VAL 381 HB 0.04 0.03 0.24 -0.04 2.12 2.40 2wk8A1 VAL 381 HG13 0.07 -0.01 -0.00 -0.04 0.97 0.99 2wk8A1 VAL 381 HG23 0.11 0.04 -0.14 -0.04 0.95 0.91 2wk8A1 ASN 382 H 0.04 0.03 0.02 -0.55 8.53 8.08 2wk8A1 ASN 382 HA 0.01 0.24 0.23 -0.75 4.76 4.50 2wk8A1 TYR 383 H 0.14 0.63 0.06 -0.55 8.29 8.56 2wk8A1 TYR 383 HA -0.05 -0.04 0.59 -0.75 4.56 4.30 2wk8A1 TYR 383 HB2 0.02 -0.08 0.15 -0.04 3.06 3.11 2wk8A1 TYR 383 HB3 -0.02 0.14 -0.08 -0.04 2.98 2.98 2wk8A1 TYR 383 HD2 0.01 0.03 -0.10 -0.04 7.15 7.05 2wk8A1 TYR 383 HE2 0.11 -0.03 -0.03 -0.04 6.85 6.87 2wk8A1 GLY 384 H -0.13 0.18 -0.23 -0.55 8.43 7.70 2wk8A1 GLY 384 HA2 -0.61 0.33 0.40 -0.51 4.01 3.61 2wk8A1 GLY 384 HA3 -0.35 -0.07 0.08 -0.51 4.01 3.16 2wk8A1 ASP 385 H -0.41 0.11 0.14 -0.55 8.40 7.69 2wk8A1 ASP 385 HA -0.26 -0.03 0.37 -0.75 4.63 3.95 2wk8A1 ASP 385 HB2 -0.62 0.70 0.88 -0.04 2.71 3.64 2wk8A1 ASP 385 HB3 -0.17 -0.10 0.11 -0.04 2.70 2.50 2wk8A1 PHE 386 H -0.61 0.25 0.12 -0.55 8.34 7.54 2wk8A1 PHE 386 HA -0.05 0.04 0.65 -0.75 4.62 4.51 2wk8A1 PHE 386 HB2 -0.33 0.04 0.09 -0.04 3.15 2.91 2wk8A1 PHE 386 HB3 -0.16 0.06 -0.09 -0.04 3.06 2.83 2wk8A1 PHE 386 HD2 -0.24 0.02 -0.39 -0.04 7.28 6.63 2wk8A1 PHE 386 HE2 -0.06 0.04 -0.09 -0.04 7.38 7.23 2wk8A1 PHE 386 HZ -0.88 -0.01 -0.03 -0.04 7.32 6.36 2wk8A1 TYR 387 H -0.13 0.10 0.15 -0.55 8.29 7.86 2wk8A1 TYR 387 HA 0.02 0.29 1.03 -0.75 4.56 5.15 2wk8A1 TYR 387 HB2 0.02 0.05 0.13 -0.04 3.06 3.21 2wk8A1 TYR 387 HB3 -0.01 -0.02 -0.06 -0.04 2.98 2.85 2wk8A1 TYR 387 HD2 -0.01 0.06 -0.19 -0.04 7.15 6.97 2wk8A1 TYR 387 HE2 -0.02 -0.05 -0.07 -0.04 6.85 6.67 2wk8A1 PHE 388 H 0.34 0.26 0.22 -0.55 8.34 8.61 2wk8A1 PHE 388 HA -0.02 0.18 0.85 -0.75 4.62 4.87 2wk8A1 PHE 388 HB2 0.08 -0.00 0.08 -0.04 3.15 3.26 2wk8A1 PHE 388 HB3 0.04 0.03 0.08 -0.04 3.06 3.17 2wk8A1 PHE 388 HD2 0.04 0.00 -0.14 -0.04 7.28 7.14 2wk8A1 PHE 388 HE2 0.08 -0.00 -0.15 -0.04 7.38 7.27 2wk8A1 PHE 388 HZ -0.02 -0.01 -0.08 -0.04 7.32 7.18 2wk8A1 ARG 389 H 0.20 0.69 0.19 -0.55 8.46 8.99 2wk8A1 ARG 389 HA 0.18 0.20 0.59 -0.75 4.34 4.55 2wk8A1 ARG 389 HB2 0.11 -0.04 0.02 -0.04 1.90 1.96 2wk8A1 ARG 389 HB3 0.09 0.00 0.08 -0.04 1.80 1.94 2wk8A1 ARG 389 HG2 0.16 0.05 -0.02 -0.04 1.67 1.82 2wk8A1 ARG 389 HG3 0.31 -0.03 -0.13 -0.04 1.67 1.77 2wk8A1 ARG 389 HD2 0.11 0.01 0.02 -0.04 3.22 3.31 2wk8A1 ARG 389 HD3 0.10 -0.03 0.07 -0.04 3.22 3.33