============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 5 1.000 47.232 33.839 42.695 -99.200 -91.000 TYR 9 0.840 28.939 35.463 39.857 -99.200 -91.000 PHE 12 1.000 26.085 23.284 45.517 -99.200 -91.000 TYR 22 0.840 26.028 32.634 33.520 -99.200 -91.000 TYR 29 0.840 20.475 39.271 40.376 -99.200 -91.000 HIS 41 0.900 38.122 32.271 44.263 -99.200 -91.000 PHE 49 1.000 52.222 31.281 43.944 -99.200 -91.000 TYR 53 0.840 53.181 32.546 48.379 -99.200 -91.000 TRP 54 1.040 48.341 29.865 48.973 -99.200 -91.000 TRP6 54 1.020 47.859 31.903 47.875 -99.200 -91.000 PHE 58 1.000 45.954 33.827 52.756 -99.200 -91.000 TRP 67 1.040 43.193 50.069 50.540 -99.200 -91.000 TRP6 67 1.020 41.138 50.087 51.709 -99.200 -91.000 TYR 69 0.840 47.135 42.905 50.430 -99.200 -91.000 TRP 74 1.040 38.433 43.429 51.318 -99.200 -91.000 TRP6 74 1.020 37.706 42.586 49.232 -99.200 -91.000 TRP 79 1.040 43.446 31.756 48.930 -99.200 -91.000 TRP6 79 1.020 43.406 30.149 50.666 -99.200 -91.000 PHE 93 1.000 41.464 47.053 60.956 -99.200 -91.000 PHE 100 1.000 34.581 35.411 75.912 -99.200 -91.000 TRP 101 1.040 39.156 29.321 76.904 -99.200 -91.000 TRP6 101 1.020 40.667 29.544 78.710 -99.200 -91.000 PHE 105 1.000 28.068 28.491 77.845 -99.200 -91.000 PHE 109 1.000 26.424 27.950 83.206 -99.200 -91.000 TRP 116 1.040 38.716 28.251 71.990 -99.200 -91.000 TRP6 116 1.020 40.283 29.920 72.566 -99.200 -91.000 HIS 119 0.900 32.131 37.072 71.499 -99.200 -91.000 HIS 124 0.900 30.672 50.416 59.470 -99.200 -91.000 PHE 128 1.000 26.833 35.918 59.205 -99.200 -91.000 TYR 167 0.840 30.839 47.126 54.501 -99.200 -91.000 PHE 178 1.000 12.991 48.091 45.428 -99.200 -91.000 PHE 198 1.000 14.051 57.060 47.584 -99.200 -91.000 PHE 206 1.000 8.218 38.188 51.996 -99.200 -91.000 TYR 223 0.840 24.749 42.607 42.187 -99.200 -91.000 PHE 247 1.000 41.441 27.575 68.036 -99.200 -91.000 TRP 249 1.040 48.062 29.246 59.628 -99.200 -91.000 TRP6 249 1.020 46.356 29.914 58.136 -99.200 -91.000 TRP 254 1.040 32.931 18.329 67.540 -99.200 -91.000 TRP6 254 1.020 31.338 17.238 66.185 -99.200 -91.000 TYR 266 0.840 28.596 25.983 49.616 -99.200 -91.000 PHE 268 1.000 31.613 30.342 59.503 -99.200 -91.000 TYR 269 0.840 32.572 21.731 52.588 -99.200 -91.000 PHE 272 1.000 36.352 25.929 59.192 -99.200 -91.000 TYR 299 0.840 16.243 17.678 64.601 -99.200 -91.000 HIS 301 0.900 17.478 15.511 53.631 -99.200 -91.000 TYR 302 0.840 22.196 14.464 61.454 -99.200 -91.000 TRP 306 1.040 22.869 13.417 55.434 -99.200 -91.000 TRP6 306 1.020 22.212 15.616 56.012 -99.200 -91.000 TYR 316 0.840 29.181 19.497 48.023 -99.200 -91.000 PHE 346 1.000 24.055 42.427 75.643 -99.200 -91.000 HIS 350 0.900 19.726 34.926 64.776 -99.200 -91.000 PHE 359 1.000 22.033 20.835 78.023 -99.200 -91.000 HIS 380 0.900 27.481 43.542 70.624 -99.200 -91.000 PHE 384 1.000 19.111 39.741 67.362 -99.200 -91.000 TYR 391 0.840 15.623 34.320 80.003 -99.200 -91.000 HIS 392 0.900 18.254 38.397 81.844 -99.200 -91.000 PHE 403 1.000 19.093 28.712 83.527 -99.200 -91.000 PHE 414 1.000 25.234 51.757 105.433 -99.200 -91.000 TYR 424 0.840 25.304 38.916 94.864 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2c2bB1 ALA 35 HA 0.03 -0.05 0.19 -0.75 4.34 3.75 2c2bB1 ALA 35 HB3 0.03 0.01 0.10 -0.04 1.41 1.50 2c2bB1 VAL 36 H 0.02 0.12 0.03 -0.55 8.24 7.86 2c2bB1 VAL 36 HA 0.00 0.13 0.55 -0.75 4.13 4.06 2c2bB1 VAL 36 HB -0.00 -0.01 0.19 -0.04 2.12 2.26 2c2bB1 VAL 36 HG13 0.01 0.00 0.01 -0.04 0.97 0.95 2c2bB1 VAL 36 HG23 0.02 -0.00 0.06 -0.04 0.95 0.98 2c2bB1 ASN 37 H 0.01 0.55 -0.74 -0.55 8.53 7.80 2c2bB1 ASN 37 HA -0.02 0.12 0.60 -0.75 4.76 4.71 2c2bB1 ASN 37 HB2 0.06 -0.07 -0.08 -0.04 2.88 2.75 2c2bB1 ASN 37 HB3 0.05 0.05 0.05 -0.04 2.79 2.91 2c2bB1 ASN 37 HD21 0.22 0.23 -0.11 -0.04 7.03 7.34 2c2bB1 ASN 37 HD22 0.12 -0.08 -0.04 -0.04 7.74 7.70 2c2bB1 PRO 38 HA -0.10 0.10 0.50 -0.51 4.44 4.43 2c2bB1 PRO 38 HB2 -0.32 0.01 -0.01 -0.04 2.28 1.92 2c2bB1 PRO 38 HB3 -0.17 0.01 0.08 -0.04 2.02 1.90 2c2bB1 PRO 38 HG2 -1.77 0.00 0.05 -0.04 2.03 0.27 2c2bB1 PRO 38 HG3 -0.37 0.04 0.07 -0.04 2.03 1.73 2c2bB1 PRO 38 HD2 -0.29 0.04 0.25 -0.04 3.68 3.64 2c2bB1 PRO 38 HD3 -0.16 0.33 0.27 -0.04 3.65 4.05 2c2bB1 PHE 39 H -0.19 0.09 -0.18 -0.55 8.34 7.51 2c2bB1 PHE 39 HA 0.14 0.07 0.57 -0.75 4.62 4.64 2c2bB1 PHE 39 HB2 0.18 -0.00 -0.01 -0.04 3.15 3.28 2c2bB1 PHE 39 HB3 0.19 0.07 0.04 -0.04 3.06 3.32 2c2bB1 PHE 39 HD2 0.24 -0.01 -0.13 -0.04 7.28 7.34 2c2bB1 PHE 39 HE2 0.36 0.10 -0.09 -0.04 7.38 7.71 2c2bB1 PHE 39 HZ -0.28 0.01 -0.03 -0.04 7.32 6.98 2c2bB1 SER 40 H 0.25 0.19 0.26 -0.55 8.46 8.61 2c2bB1 SER 40 HA 0.13 0.09 0.57 -0.75 4.49 4.52 2c2bB1 SER 40 HB2 0.05 -0.02 0.06 -0.04 3.95 3.99 2c2bB1 SER 40 HB3 0.08 0.19 -0.22 -0.04 3.93 3.94 2c2bB1 ALA 41 H -0.00 0.25 0.20 -0.55 8.40 8.31 2c2bB1 ALA 41 HA -0.13 0.26 0.85 -0.75 4.34 4.56 2c2bB1 ALA 41 HB3 -0.40 -0.00 -0.13 -0.04 1.41 0.83 2c2bB1 LYS 42 H -0.15 0.66 0.32 -0.55 8.42 8.69 2c2bB1 LYS 42 HA -0.16 0.01 0.73 -0.75 4.32 4.14 2c2bB1 LYS 42 HB2 -0.00 0.12 0.06 -0.04 1.87 2.01 2c2bB1 LYS 42 HB3 -0.03 0.00 -0.16 -0.04 1.79 1.56 2c2bB1 LYS 42 HG2 -0.03 0.03 -0.05 -0.04 1.46 1.36 2c2bB1 LYS 42 HG3 -0.00 0.06 -0.26 -0.04 1.46 1.22 2c2bB1 LYS 42 HD2 -0.01 -0.00 -0.14 -0.04 1.69 1.50 2c2bB1 LYS 42 HD3 -0.01 -0.03 -0.15 -0.04 1.68 1.45 2c2bB1 LYS 42 HE2 -0.01 -0.02 -0.13 -0.04 2.99 2.80 2c2bB1 LYS 42 HE3 -0.01 0.04 -0.12 -0.04 2.99 2.86 2c2bB1 TYR 43 H 0.01 0.58 0.24 -0.55 8.29 8.57 2c2bB1 TYR 43 HA 0.05 0.12 0.68 -0.75 4.56 4.66 2c2bB1 TYR 43 HB2 0.20 0.01 0.10 -0.04 3.06 3.33 2c2bB1 TYR 43 HB3 0.16 -0.06 -0.12 -0.04 2.98 2.92 2c2bB1 TYR 43 HD2 0.06 0.04 -0.25 -0.04 7.15 6.95 2c2bB1 TYR 43 HE2 0.03 0.05 -0.06 -0.04 6.85 6.82 2c2bB1 VAL 44 H 0.21 0.57 0.38 -0.55 8.24 8.86 2c2bB1 VAL 44 HA 0.09 0.21 0.76 -0.75 4.13 4.43 2c2bB1 VAL 44 HB 0.07 -0.00 0.01 -0.04 2.12 2.15 2c2bB1 VAL 44 HG13 0.04 0.00 -0.11 -0.04 0.97 0.86 2c2bB1 VAL 44 HG23 0.02 0.04 -0.08 -0.04 0.95 0.89 2c2bB1 PRO 45 HA 0.11 0.07 0.46 -0.51 4.44 4.57 2c2bB1 PRO 45 HB2 0.02 0.12 -0.22 -0.04 2.28 2.16 2c2bB1 PRO 45 HB3 0.06 -0.09 -0.09 -0.04 2.02 1.86 2c2bB1 PRO 45 HG2 0.03 0.02 0.01 -0.04 2.03 2.05 2c2bB1 PRO 45 HG3 0.09 -0.11 -0.03 -0.04 2.03 1.94 2c2bB1 PRO 45 HD2 0.03 0.26 0.18 -0.04 3.68 4.10 2c2bB1 PRO 45 HD3 0.06 0.15 -0.01 -0.04 3.65 3.81 2c2bB1 PHE 46 H 0.18 0.53 0.13 -0.55 8.34 8.63 2c2bB1 PHE 46 HA -0.04 0.13 0.57 -0.75 4.62 4.53 2c2bB1 PHE 46 HB2 -0.05 0.07 -0.08 -0.04 3.15 3.04 2c2bB1 PHE 46 HB3 -0.07 -0.12 0.17 -0.04 3.06 3.01 2c2bB1 PHE 46 HD2 -0.09 -0.01 -0.02 -0.04 7.28 7.12 2c2bB1 PHE 46 HE2 -0.12 0.01 -0.15 -0.04 7.38 7.07 2c2bB1 PHE 46 HZ -0.26 0.04 -0.02 -0.04 7.32 7.05 2c2bB1 ASN 47 H -0.19 0.49 0.04 -0.55 8.53 8.32 2c2bB1 ASN 47 HA -0.29 0.06 0.22 -0.75 4.76 4.00 2c2bB1 ASN 47 HB2 -0.23 0.43 0.72 -0.04 2.88 3.75 2c2bB1 ASN 47 HB3 -0.17 -0.35 0.28 -0.04 2.79 2.51 2c2bB1 ASN 47 HD21 -0.30 0.04 -0.03 -0.04 7.03 6.70 2c2bB1 ASN 47 HD22 -0.18 -0.06 0.04 -0.04 7.74 7.49 2c2bB1 ALA 48 H -0.09 0.11 0.08 -0.55 8.40 7.95 2c2bB1 ALA 48 HA -0.04 -0.00 0.28 -0.75 4.34 3.83 2c2bB1 ALA 48 HB3 -0.02 0.05 -0.00 -0.04 1.41 1.40 2c2bB1 ALA 49 H -0.06 0.01 -0.02 -0.55 8.40 7.79 2c2bB1 ALA 49 HA -0.04 0.10 0.21 -0.75 4.34 3.85 2c2bB1 ALA 49 HB3 -0.04 0.01 0.05 -0.04 1.41 1.40 2c2bB1 PRO 50 HA -0.01 0.07 0.36 -0.51 4.44 4.34 2c2bB1 PRO 50 HB2 -0.01 0.02 0.16 -0.04 2.28 2.41 2c2bB1 PRO 50 HB3 -0.01 0.04 0.08 -0.04 2.02 2.09 2c2bB1 PRO 50 HG2 -0.01 0.02 0.02 -0.04 2.03 2.02 2c2bB1 PRO 50 HG3 -0.01 0.04 0.03 -0.04 2.03 2.05 2c2bB1 PRO 50 HD2 -0.02 0.05 -0.28 -0.04 3.68 3.39 2c2bB1 PRO 50 HD3 -0.02 -0.01 0.05 -0.04 3.65 3.62 2c2bB1 GLY 51 H -0.02 0.59 0.50 -0.55 8.43 8.95 2c2bB1 GLY 51 HA2 -0.01 0.05 0.35 -0.51 4.01 3.88 2c2bB1 GLY 51 HA3 -0.01 -0.04 0.26 -0.51 4.01 3.71 2c2bB1 SER 52 H -0.02 0.26 -0.17 -0.55 8.46 7.98 2c2bB1 SER 52 HA -0.02 0.01 0.60 -0.75 4.49 4.32 2c2bB1 SER 52 HB2 -0.02 0.02 0.08 -0.04 3.95 4.00 2c2bB1 SER 52 HB3 -0.02 0.14 0.13 -0.04 3.93 4.14 2c2bB1 THR 53 H -0.03 0.08 0.19 -0.55 8.28 7.97 2c2bB1 THR 53 HA -0.03 0.25 0.77 -0.75 4.39 4.62 2c2bB1 THR 53 HB -0.03 -0.01 0.16 -0.04 4.32 4.40 2c2bB1 THR 53 HG23 -0.02 0.04 -0.14 -0.04 1.22 1.06 2c2bB1 GLU 54 H -0.04 0.00 0.02 -0.55 8.60 8.04 2c2bB1 GLU 54 HA -0.15 0.07 0.54 -0.75 4.29 4.00 2c2bB1 GLU 54 HB2 -0.04 -0.03 0.13 -0.04 2.09 2.11 2c2bB1 GLU 54 HB3 -0.03 0.01 0.13 -0.04 1.99 2.06 2c2bB1 GLU 54 HG2 -0.09 0.05 -0.24 -0.04 2.34 2.02 2c2bB1 GLU 54 HG3 -0.19 0.07 0.02 -0.04 2.34 2.20 2c2bB1 SER 55 H -0.36 0.26 0.27 -0.55 8.46 8.08 2c2bB1 SER 55 HA -0.11 0.15 0.50 -0.75 4.49 4.28 2c2bB1 SER 55 HB2 -0.03 0.05 0.06 -0.04 3.95 3.99 2c2bB1 SER 55 HB3 -0.05 0.10 -0.12 -0.04 3.93 3.81 2c2bB1 TYR 56 H 0.17 0.65 0.27 -0.55 8.29 8.82 2c2bB1 TYR 56 HA 0.06 0.16 0.94 -0.75 4.56 4.97 2c2bB1 TYR 56 HB2 0.22 -0.07 -0.04 -0.04 3.06 3.14 2c2bB1 TYR 56 HB3 0.11 0.07 0.01 -0.04 2.98 3.13 2c2bB1 TYR 56 HD2 0.04 0.00 -0.15 -0.04 7.15 7.00 2c2bB1 TYR 56 HE2 0.01 -0.04 -0.12 -0.04 6.85 6.65 2c2bB1 SER 57 H 0.16 0.16 0.16 -0.55 8.46 8.39 2c2bB1 SER 57 HA 0.04 0.13 0.65 -0.75 4.49 4.56 2c2bB1 SER 57 HB2 0.06 0.10 0.15 -0.04 3.95 4.21 2c2bB1 SER 57 HB3 0.09 -0.00 0.13 -0.04 3.93 4.10 2c2bB1 LEU 58 H -0.06 0.26 0.24 -0.55 8.37 8.26 2c2bB1 LEU 58 HA -0.22 0.09 0.45 -0.75 4.35 3.91 2c2bB1 LEU 58 HB2 -0.09 0.03 0.08 -0.04 1.64 1.62 2c2bB1 LEU 58 HB3 -0.13 0.02 0.07 -0.04 1.64 1.56 2c2bB1 LEU 58 HG -0.32 -0.00 -0.04 -0.04 1.64 1.23 2c2bB1 LEU 58 HD13 -0.15 0.01 -0.09 -0.04 0.93 0.66 2c2bB1 LEU 58 HD23 -0.93 -0.01 -0.11 -0.04 0.89 -0.20 2c2bB1 ASP 59 H 0.05 -0.06 -0.47 -0.55 8.40 7.36 2c2bB1 ASP 59 HA 0.04 0.18 0.57 -0.75 4.63 4.67 2c2bB1 ASP 59 HB2 0.04 -0.06 -0.03 -0.04 2.71 2.63 2c2bB1 ASP 59 HB3 0.04 0.07 0.04 -0.04 2.70 2.81 2c2bB1 GLU 60 H 0.13 0.32 -0.32 -0.55 8.60 8.18 2c2bB1 GLU 60 HA 0.06 0.13 0.66 -0.75 4.29 4.39 2c2bB1 GLU 60 HB2 0.15 0.09 0.02 -0.04 2.09 2.31 2c2bB1 GLU 60 HB3 0.05 0.04 -0.10 -0.04 1.99 1.93 2c2bB1 GLU 60 HG2 0.08 0.08 -0.02 -0.04 2.34 2.43 2c2bB1 GLU 60 HG3 0.11 -0.13 0.00 -0.04 2.34 2.28 2c2bB1 ILE 61 H 0.02 0.19 0.08 -0.55 8.25 7.99 2c2bB1 ILE 61 HA -0.02 0.10 0.71 -0.75 4.18 4.21 2c2bB1 ILE 61 HB -0.01 0.02 0.16 -0.04 1.89 2.02 2c2bB1 ILE 61 HG12 0.21 -0.01 -0.05 -0.04 1.49 1.60 2c2bB1 ILE 61 HG13 0.20 0.03 -0.11 -0.04 1.21 1.28 2c2bB1 ILE 61 HG23 -0.21 -0.02 -0.12 -0.04 0.93 0.55 2c2bB1 ILE 61 HD13 0.07 0.02 -0.01 -0.04 0.88 0.93 2c2bB1 VAL 62 H -0.42 0.34 0.10 -0.55 8.24 7.71 2c2bB1 VAL 62 HA -0.39 0.14 0.65 -0.75 4.13 3.78 2c2bB1 VAL 62 HB -0.60 -0.03 -0.14 -0.04 2.12 1.32 2c2bB1 VAL 62 HG13 -0.59 0.03 -0.10 -0.04 0.97 0.26 2c2bB1 VAL 62 HG23 -0.40 -0.00 -0.24 -0.04 0.95 0.27 2c2bB1 TYR 63 H -0.17 0.12 0.14 -0.55 8.29 7.83 2c2bB1 TYR 63 HA -0.23 0.16 0.90 -0.75 4.56 4.64 2c2bB1 TYR 63 HB2 -0.15 0.06 0.01 -0.04 3.06 2.94 2c2bB1 TYR 63 HB3 -0.14 -0.08 0.01 -0.04 2.98 2.73 2c2bB1 TYR 63 HD2 -0.19 -0.02 -0.05 -0.04 7.15 6.85 2c2bB1 TYR 63 HE2 -0.38 0.20 0.02 -0.04 6.85 6.65 2c2bB1 ARG 64 H -0.12 0.13 0.15 -0.55 8.46 8.07 2c2bB1 ARG 64 HA -0.04 0.11 0.62 -0.75 4.34 4.28 2c2bB1 ARG 64 HB2 -0.01 0.00 -0.03 -0.04 1.90 1.83 2c2bB1 ARG 64 HB3 -0.01 0.03 -0.12 -0.04 1.80 1.67 2c2bB1 ARG 64 HG2 0.00 -0.15 -0.13 -0.04 1.67 1.35 2c2bB1 ARG 64 HG3 -0.02 0.09 -0.10 -0.04 1.67 1.59 2c2bB1 ARG 64 HD2 -0.01 0.01 0.01 -0.04 3.22 3.19 2c2bB1 ARG 64 HD3 -0.02 -0.04 -0.05 -0.04 3.22 3.07 2c2bB1 SER 65 H 0.01 0.48 -0.07 -0.55 8.46 8.34 2c2bB1 SER 65 HA 0.13 0.19 0.46 -0.75 4.49 4.51 2c2bB1 SER 65 HB2 0.10 -0.03 0.08 -0.04 3.95 4.05 2c2bB1 SER 65 HB3 0.08 0.12 -0.14 -0.04 3.93 3.95 2c2bB1 ARG 66 H 0.12 0.17 0.10 -0.55 8.46 8.30 2c2bB1 ARG 66 HA 0.06 0.17 0.49 -0.75 4.34 4.30 2c2bB1 ARG 66 HB2 0.07 -0.05 0.15 -0.04 1.90 2.03 2c2bB1 ARG 66 HB3 0.04 0.06 -0.05 -0.04 1.80 1.80 2c2bB1 ARG 66 HG2 0.06 0.05 0.06 -0.04 1.67 1.79 2c2bB1 ARG 66 HG3 0.12 0.01 0.04 -0.04 1.67 1.80 2c2bB1 ARG 66 HD2 0.04 0.04 0.01 -0.04 3.22 3.27 2c2bB1 ARG 66 HD3 0.03 -0.02 0.02 -0.04 3.22 3.22 2c2bB1 SER 67 H 0.04 0.01 -0.15 -0.55 8.46 7.82 2c2bB1 SER 67 HA 0.02 0.23 0.57 -0.75 4.49 4.55 2c2bB1 SER 67 HB2 0.02 0.06 0.11 -0.04 3.95 4.10 2c2bB1 SER 67 HB3 0.02 0.05 0.04 -0.04 3.93 4.00 2c2bB1 GLY 68 H 0.02 0.24 -0.77 -0.55 8.43 7.38 2c2bB1 GLY 68 HA2 0.00 0.10 0.21 -0.51 4.01 3.82 2c2bB1 GLY 68 HA3 0.01 0.14 0.47 -0.51 4.01 4.11 2c2bB1 GLY 69 H 0.03 -0.06 -0.42 -0.55 8.43 7.43 2c2bB1 GLY 69 HA2 0.02 0.10 0.40 -0.51 4.01 4.02 2c2bB1 GLY 69 HA3 0.04 0.04 0.25 -0.51 4.01 3.84 2c2bB1 LEU 70 H 0.04 0.09 0.17 -0.55 8.37 8.12 2c2bB1 LEU 70 HA -0.01 0.15 0.57 -0.75 4.35 4.31 2c2bB1 LEU 70 HB2 -0.07 -0.05 0.18 -0.04 1.64 1.65 2c2bB1 LEU 70 HB3 -0.08 0.22 0.11 -0.04 1.64 1.85 2c2bB1 LEU 70 HG -0.05 -0.05 0.11 -0.04 1.64 1.62 2c2bB1 LEU 70 HD13 -0.19 -0.05 0.10 -0.04 0.93 0.74 2c2bB1 LEU 70 HD23 -0.04 0.05 0.11 -0.04 0.89 0.97 2c2bB1 LEU 71 H -0.01 0.20 0.18 -0.55 8.37 8.20 2c2bB1 LEU 71 HA 0.09 0.14 0.61 -0.75 4.35 4.44 2c2bB1 LEU 71 HB2 -0.09 0.06 -0.08 -0.04 1.64 1.50 2c2bB1 LEU 71 HB3 -0.02 -0.02 -0.16 -0.04 1.64 1.40 2c2bB1 LEU 71 HG 0.06 -0.02 -0.25 -0.04 1.64 1.38 2c2bB1 LEU 71 HD13 0.08 -0.01 -0.50 -0.04 0.93 0.46 2c2bB1 LEU 71 HD23 -0.45 0.01 -0.45 -0.04 0.89 -0.04 2c2bB1 ASP 72 H 0.19 0.33 0.19 -0.55 8.40 8.57 2c2bB1 ASP 72 HA 0.18 0.03 0.75 -0.75 4.63 4.84 2c2bB1 ASP 72 HB2 0.24 -0.08 -0.39 -0.04 2.71 2.45 2c2bB1 ASP 72 HB3 0.19 0.10 -0.13 -0.04 2.70 2.81 2c2bB1 VAL 73 H 0.16 0.14 0.09 -0.55 8.24 8.08 2c2bB1 VAL 73 HA -0.01 0.17 0.66 -0.75 4.13 4.20 2c2bB1 VAL 73 HB 0.04 0.00 0.14 -0.04 2.12 2.25 2c2bB1 VAL 73 HG13 -0.28 0.02 -0.19 -0.04 0.97 0.48 2c2bB1 VAL 73 HG23 0.02 -0.03 -0.16 -0.04 0.95 0.74 2c2bB1 GLU 74 H -0.05 0.79 0.39 -0.55 8.60 9.19 2c2bB1 GLU 74 HA 0.02 0.12 0.91 -0.75 4.29 4.58 2c2bB1 GLU 74 HB2 0.04 0.00 -0.03 -0.04 2.09 2.05 2c2bB1 GLU 74 HB3 -0.01 -0.00 0.10 -0.04 1.99 2.04 2c2bB1 GLU 74 HG2 0.01 0.12 -0.17 -0.04 2.34 2.26 2c2bB1 GLU 74 HG3 0.03 -0.02 0.03 -0.04 2.34 2.33 2c2bB1 HIS 75 H 0.08 0.17 0.17 -0.55 8.41 8.28 2c2bB1 HIS 75 HA -0.01 0.18 0.90 -0.75 4.63 4.95 2c2bB1 HIS 75 HB2 -0.14 -0.03 0.05 -0.04 3.26 3.10 2c2bB1 HIS 75 HB3 -0.10 0.06 -0.03 -0.04 3.20 3.09 2c2bB1 HIS 75 HD2 -0.07 -0.02 -0.03 -0.04 6.97 6.81 2c2bB1 HIS 75 HE1 0.02 0.03 -0.57 -0.04 7.75 7.19 2c2bB1 ASP 76 H 0.11 0.69 0.32 -0.55 8.40 8.98 2c2bB1 ASP 76 HA 0.04 0.05 0.63 -0.75 4.63 4.60 2c2bB1 ASP 76 HB2 0.08 0.10 0.17 -0.04 2.71 3.01 2c2bB1 ASP 76 HB3 0.15 -0.05 0.34 -0.04 2.70 3.11 2c2bB1 MET 77 H 0.01 0.37 0.24 -0.55 8.47 8.54 2c2bB1 MET 77 HA -0.08 0.11 0.38 -0.75 4.52 4.17 2c2bB1 MET 77 HB2 -0.03 -0.01 0.11 -0.04 2.15 2.18 2c2bB1 MET 77 HB3 -0.07 0.06 0.04 -0.04 2.03 2.02 2c2bB1 MET 77 HG2 -0.04 0.18 0.07 -0.04 2.63 2.80 2c2bB1 MET 77 HG3 -0.07 0.01 0.04 -0.04 2.56 2.50 2c2bB1 MET 77 HE3 -0.24 0.02 -0.03 -0.04 2.10 1.80 2c2bB1 GLU 78 H 0.03 0.07 -0.14 -0.55 8.60 8.02 2c2bB1 GLU 78 HA 0.02 0.14 0.43 -0.75 4.29 4.14 2c2bB1 GLU 78 HB2 0.03 -0.00 0.01 -0.04 2.09 2.08 2c2bB1 GLU 78 HB3 0.01 0.06 0.01 -0.04 1.99 2.04 2c2bB1 GLU 78 HG2 0.01 -0.08 0.05 -0.04 2.34 2.28 2c2bB1 GLU 78 HG3 0.01 0.04 0.01 -0.04 2.34 2.35 2c2bB1 ALA 79 H 0.11 0.09 -0.26 -0.55 8.40 7.79 2c2bB1 ALA 79 HA 0.11 0.10 0.53 -0.75 4.34 4.34 2c2bB1 ALA 79 HB3 0.20 0.02 0.03 -0.04 1.41 1.62 2c2bB1 LEU 80 H 0.20 0.21 -0.26 -0.55 8.37 7.98 2c2bB1 LEU 80 HA 0.76 0.07 0.52 -0.75 4.35 4.95 2c2bB1 LEU 80 HB2 -0.08 0.05 0.12 -0.04 1.64 1.68 2c2bB1 LEU 80 HB3 -0.18 0.02 -0.00 -0.04 1.64 1.44 2c2bB1 LEU 80 HG 0.11 0.04 0.01 -0.04 1.64 1.76 2c2bB1 LEU 80 HD13 -0.49 -0.02 -0.13 -0.04 0.93 0.24 2c2bB1 LEU 80 HD23 -0.54 0.03 -0.08 -0.04 0.89 0.25 2c2bB1 LYS 81 H 0.11 0.58 -0.03 -0.55 8.42 8.53 2c2bB1 LYS 81 HA 0.15 0.12 0.40 -0.75 4.32 4.24 2c2bB1 LYS 81 HB2 0.04 0.00 0.14 -0.04 1.87 2.01 2c2bB1 LYS 81 HB3 0.03 -0.06 0.04 -0.04 1.79 1.76 2c2bB1 LYS 81 HG2 0.01 0.06 0.09 -0.04 1.46 1.58 2c2bB1 LYS 81 HG3 -0.01 0.02 0.06 -0.04 1.46 1.49 2c2bB1 LYS 81 HD2 -0.01 -0.11 -0.12 -0.04 1.69 1.42 2c2bB1 LYS 81 HD3 -0.00 -0.05 -0.00 -0.04 1.68 1.59 2c2bB1 LYS 81 HE2 -0.02 -0.08 0.00 -0.04 2.99 2.85 2c2bB1 LYS 81 HE3 -0.02 0.17 0.07 -0.04 2.99 3.17 2c2bB1 ARG 82 H 0.14 0.16 -0.95 -0.55 8.46 7.26 2c2bB1 ARG 82 HA -0.14 0.01 0.42 -0.75 4.34 3.88 2c2bB1 ARG 82 HB2 -0.30 0.16 0.01 -0.04 1.90 1.73 2c2bB1 ARG 82 HB3 -0.43 -0.10 0.09 -0.04 1.80 1.31 2c2bB1 ARG 82 HG2 -0.05 -0.01 0.00 -0.04 1.67 1.57 2c2bB1 ARG 82 HG3 0.02 0.07 0.15 -0.04 1.67 1.86 2c2bB1 ARG 82 HD2 -0.06 -0.05 0.01 -0.04 3.22 3.08 2c2bB1 ARG 82 HD3 -0.16 -0.02 0.03 -0.04 3.22 3.03 2c2bB1 PHE 83 H 0.27 0.56 -0.31 -0.55 8.34 8.29 2c2bB1 PHE 83 HA -0.27 0.03 0.88 -0.75 4.62 4.50 2c2bB1 PHE 83 HB2 -0.46 0.11 0.13 -0.04 3.15 2.88 2c2bB1 PHE 83 HB3 -1.14 -0.11 0.03 -0.04 3.06 1.80 2c2bB1 PHE 83 HD2 -0.46 0.04 0.03 -0.04 7.28 6.85 2c2bB1 PHE 83 HE2 -0.12 -0.00 -0.02 -0.04 7.38 7.20 2c2bB1 PHE 83 HZ -0.14 -0.02 -0.02 -0.04 7.32 7.10 2c2bB1 ASP 84 H -0.02 0.03 0.11 -0.55 8.40 7.98 2c2bB1 ASP 84 HA 0.09 0.24 0.28 -0.75 4.63 4.48 2c2bB1 ASP 84 HB2 0.02 -0.04 0.18 -0.04 2.71 2.84 2c2bB1 ASP 84 HB3 -0.00 0.09 0.11 -0.04 2.70 2.86 2c2bB1 GLY 85 H 0.07 0.15 0.18 -0.55 8.43 8.28 2c2bB1 GLY 85 HA2 0.17 0.19 0.26 -0.51 4.01 4.12 2c2bB1 GLY 85 HA3 0.03 0.32 0.10 -0.51 4.01 3.95 2c2bB1 ALA 86 H -0.01 0.05 -0.18 -0.55 8.40 7.72 2c2bB1 ALA 86 HA -0.13 0.13 0.42 -0.75 4.34 4.00 2c2bB1 ALA 86 HB3 -0.04 0.01 0.04 -0.04 1.41 1.38 2c2bB1 TYR 87 H 0.03 0.16 -0.32 -0.55 8.29 7.61 2c2bB1 TYR 87 HA -0.22 0.02 0.36 -0.75 4.56 3.97 2c2bB1 TYR 87 HB2 -0.17 -0.08 0.07 -0.04 3.06 2.84 2c2bB1 TYR 87 HB3 -0.40 0.26 0.01 -0.04 2.98 2.81 2c2bB1 TYR 87 HD2 -1.02 0.02 -0.11 -0.04 7.15 5.99 2c2bB1 TYR 87 HE2 -0.91 -0.00 -0.05 -0.04 6.85 5.85 2c2bB1 TRP 88 H -0.04 0.44 -0.17 -0.55 7.97 7.66 2c2bB1 TRP 88 HA -0.72 0.00 0.36 -0.75 4.62 3.51 2c2bB1 TRP 88 HB2 -0.19 0.14 0.06 -0.04 3.23 3.20 2c2bB1 TRP 88 HB3 -0.75 -0.05 -0.02 -0.04 3.23 2.36 2c2bB1 TRP 88 HD1 0.16 0.18 -0.08 -0.04 7.22 7.43 2c2bB1 TRP 88 HE1 0.21 0.34 0.08 -0.04 10.20 10.79 2c2bB1 TRP 88 HE3 -0.97 -0.04 -0.01 -0.04 7.59 6.53 2c2bB1 TRP 88 HZ2 0.08 0.04 0.06 -0.04 7.44 7.58 2c2bB1 TRP 88 HZ3 -0.10 -0.07 -0.07 -0.04 7.13 6.86 2c2bB1 TRP 88 HH2 -0.82 -0.03 -0.05 -0.04 7.19 6.25 2c2bB1 ARG 89 H -0.31 0.45 -0.18 -0.55 8.46 7.87 2c2bB1 ARG 89 HA -0.86 0.01 0.40 -0.75 4.34 3.14 2c2bB1 ARG 89 HB2 -0.39 0.06 0.18 -0.04 1.90 1.71 2c2bB1 ARG 89 HB3 -0.60 -0.03 -0.01 -0.04 1.80 1.12 2c2bB1 ARG 89 HG2 -2.23 -0.09 0.04 -0.04 1.67 -0.65 2c2bB1 ARG 89 HG3 -0.64 0.22 0.11 -0.04 1.67 1.32 2c2bB1 ARG 89 HD2 -0.85 -0.05 -0.01 -0.04 3.22 2.27 2c2bB1 ARG 89 HD3 -0.47 0.29 0.10 -0.04 3.22 3.10 2c2bB1 ASP 90 H -0.25 0.57 -0.09 -0.55 8.40 8.08 2c2bB1 ASP 90 HA -0.05 0.02 0.37 -0.75 4.63 4.22 2c2bB1 ASP 90 HB2 -0.24 0.11 0.14 -0.04 2.71 2.68 2c2bB1 ASP 90 HB3 -0.14 -0.05 0.02 -0.04 2.70 2.48 2c2bB1 LEU 91 H -0.46 0.59 -0.12 -0.55 8.37 7.83 2c2bB1 LEU 91 HA -0.28 0.01 0.50 -0.75 4.35 3.81 2c2bB1 LEU 91 HB2 -0.91 0.04 0.09 -0.04 1.64 0.82 2c2bB1 LEU 91 HB3 -0.63 0.05 0.15 -0.04 1.64 1.17 2c2bB1 LEU 91 HG -0.16 0.03 -0.15 -0.04 1.64 1.31 2c2bB1 LEU 91 HD13 -0.31 -0.02 0.02 -0.04 0.93 0.58 2c2bB1 LEU 91 HD23 -0.24 -0.02 -0.04 -0.04 0.89 0.55 2c2bB1 PHE 92 H -0.24 0.71 -0.03 -0.55 8.34 8.24 2c2bB1 PHE 92 HA -0.08 0.09 0.41 -0.75 4.62 4.29 2c2bB1 PHE 92 HB2 0.21 0.12 0.12 -0.04 3.15 3.55 2c2bB1 PHE 92 HB3 0.06 -0.09 -0.02 -0.04 3.06 2.97 2c2bB1 PHE 92 HD2 -0.13 0.02 -0.07 -0.04 7.28 7.05 2c2bB1 PHE 92 HE2 -1.31 -0.06 -0.04 -0.04 7.38 5.93 2c2bB1 PHE 92 HZ -2.35 -0.05 -0.07 -0.04 7.32 4.81 2c2bB1 ASP 93 H 0.18 0.52 -0.20 -0.55 8.40 8.34 2c2bB1 ASP 93 HA 0.13 0.02 0.54 -0.75 4.63 4.56 2c2bB1 ASP 93 HB2 0.12 0.05 0.11 -0.04 2.71 2.95 2c2bB1 ASP 93 HB3 0.11 -0.06 0.03 -0.04 2.70 2.74 2c2bB1 SER 94 H 0.01 0.40 -0.30 -0.55 8.46 8.03 2c2bB1 SER 94 HA 0.01 0.04 0.46 -0.75 4.49 4.25 2c2bB1 SER 94 HB2 -0.03 -0.11 0.09 -0.04 3.95 3.86 2c2bB1 SER 94 HB3 -0.04 0.00 0.13 -0.04 3.93 3.98 2c2bB1 ARG 95 H 0.04 0.23 -0.38 -0.55 8.46 7.80 2c2bB1 ARG 95 HA 0.06 0.02 0.56 -0.75 4.34 4.22 2c2bB1 ARG 95 HB2 0.04 0.11 0.11 -0.04 1.90 2.12 2c2bB1 ARG 95 HB3 0.11 0.03 0.03 -0.04 1.80 1.93 2c2bB1 ARG 95 HG2 -0.14 -0.12 -0.03 -0.04 1.67 1.34 2c2bB1 ARG 95 HG3 -0.08 0.14 0.02 -0.04 1.67 1.70 2c2bB1 ARG 95 HD2 0.01 0.12 0.03 -0.04 3.22 3.33 2c2bB1 ARG 95 HD3 -0.18 -0.08 0.09 -0.04 3.22 3.02 2c2bB1 VAL 96 H 0.04 0.21 -0.18 -0.55 8.24 7.77 2c2bB1 VAL 96 HA 0.00 -0.00 0.27 -0.75 4.13 3.65 2c2bB1 VAL 96 HB -0.01 0.11 0.15 -0.04 2.12 2.34 2c2bB1 VAL 96 HG13 0.00 0.09 0.06 -0.04 0.97 1.08 2c2bB1 VAL 96 HG23 -0.07 -0.03 -0.04 -0.04 0.95 0.77 2c2bB1 GLY 97 H 0.01 0.21 0.18 -0.55 8.43 8.29 2c2bB1 GLY 97 HA2 0.10 -0.01 0.40 -0.51 4.01 4.00 2c2bB1 GLY 97 HA3 0.08 0.01 0.36 -0.51 4.01 3.95 2c2bB1 LYS 98 H 0.11 0.47 -0.69 -0.55 8.42 7.75 2c2bB1 LYS 98 HA 0.10 0.00 0.29 -0.75 4.32 3.96 2c2bB1 LYS 98 HB2 0.12 0.11 0.01 -0.04 1.87 2.06 2c2bB1 LYS 98 HB3 0.10 -0.26 0.13 -0.04 1.79 1.71 2c2bB1 LYS 98 HG2 0.07 0.22 -0.24 -0.04 1.46 1.47 2c2bB1 LYS 98 HG3 0.06 0.21 0.08 -0.04 1.46 1.78 2c2bB1 LYS 98 HD2 0.06 -0.13 0.04 -0.04 1.69 1.61 2c2bB1 LYS 98 HD3 0.06 -0.05 -0.03 -0.04 1.68 1.62 2c2bB1 LYS 98 HE2 0.04 0.13 -0.03 -0.04 2.99 3.09 2c2bB1 LYS 98 HE3 0.04 0.02 0.04 -0.04 2.99 3.04 2c2bB1 SER 99 H 0.09 0.10 0.13 -0.55 8.46 8.24 2c2bB1 SER 99 HA 0.09 0.21 0.54 -0.75 4.49 4.57 2c2bB1 SER 99 HB2 0.03 -0.01 0.12 -0.04 3.95 4.05 2c2bB1 SER 99 HB3 0.04 0.04 0.05 -0.04 3.93 4.03 2c2bB1 THR 100 H 0.14 0.10 -0.25 -0.55 8.28 7.72 2c2bB1 THR 100 HA 0.14 0.06 0.47 -0.75 4.39 4.31 2c2bB1 THR 100 HB 0.21 0.01 0.01 -0.04 4.32 4.51 2c2bB1 THR 100 HG23 0.17 0.04 -0.08 -0.04 1.22 1.31 2c2bB1 TRP 101 H 0.27 0.17 0.21 -0.55 7.97 8.06 2c2bB1 TRP 101 HA -0.04 -0.03 0.51 -0.75 4.62 4.30 2c2bB1 TRP 101 HB2 -0.04 0.06 0.10 -0.04 3.23 3.31 2c2bB1 TRP 101 HB3 -0.06 -0.00 0.15 -0.04 3.23 3.28 2c2bB1 TRP 101 HD1 -0.12 -0.06 -0.21 -0.04 7.22 6.79 2c2bB1 TRP 101 HE1 -0.16 0.35 -0.03 -0.04 10.20 10.31 2c2bB1 TRP 101 HE3 -0.02 -0.00 -0.01 -0.04 7.59 7.52 2c2bB1 TRP 101 HZ2 -0.18 0.30 0.04 -0.04 7.44 7.56 2c2bB1 TRP 101 HZ3 0.02 -0.01 0.00 -0.04 7.13 7.09 2c2bB1 TRP 101 HH2 -0.06 -0.24 0.03 -0.04 7.19 6.88 2c2bB1 PRO 102 HA -1.06 0.03 0.34 -0.51 4.44 3.24 2c2bB1 PRO 102 HB2 -1.04 -0.08 0.10 -0.04 2.28 1.22 2c2bB1 PRO 102 HB3 -2.24 0.09 0.09 -0.04 2.02 -0.08 2c2bB1 PRO 102 HG2 -0.70 0.07 -0.04 -0.04 2.03 1.31 2c2bB1 PRO 102 HG3 -0.79 0.03 0.05 -0.04 2.03 1.28 2c2bB1 PRO 102 HD2 -1.77 0.11 0.13 -0.04 3.68 2.11 2c2bB1 PRO 102 HD3 -0.68 0.14 0.38 -0.04 3.65 3.45 2c2bB1 TYR 103 H -0.25 0.32 -0.16 -0.55 8.29 7.65 2c2bB1 TYR 103 HA 0.01 0.05 -0.14 -0.75 4.56 3.73 2c2bB1 TYR 103 HB2 0.04 0.07 -0.04 -0.04 3.06 3.09 2c2bB1 TYR 103 HB3 0.03 0.01 0.08 -0.04 2.98 3.06 2c2bB1 TYR 103 HD2 0.03 0.12 -0.07 -0.04 7.15 7.19 2c2bB1 TYR 103 HE2 0.05 -0.04 -0.04 -0.04 6.85 6.78 2c2bB1 GLY 104 H 0.13 0.07 -0.52 -0.55 8.43 7.57 2c2bB1 GLY 104 HA2 0.21 0.18 0.34 -0.51 4.01 4.24 2c2bB1 GLY 104 HA3 0.40 0.07 0.12 -0.51 4.01 4.09 2c2bB1 SER 105 H 0.14 0.21 -0.23 -0.55 8.46 8.03 2c2bB1 SER 105 HA -0.09 0.20 0.31 -0.75 4.49 4.16 2c2bB1 SER 105 HB2 0.23 -0.08 0.05 -0.04 3.95 4.10 2c2bB1 SER 105 HB3 0.24 0.21 0.09 -0.04 3.93 4.43 2c2bB1 GLY 106 H -0.16 0.79 0.22 -0.55 8.43 8.73 2c2bB1 GLY 106 HA2 -0.16 0.18 0.43 -0.51 4.01 3.95 2c2bB1 GLY 106 HA3 -0.17 -0.21 0.40 -0.51 4.01 3.53 2c2bB1 VAL 107 H -0.21 0.01 -0.40 -0.55 8.24 7.09 2c2bB1 VAL 107 HA -0.38 0.21 0.69 -0.75 4.13 3.89 2c2bB1 VAL 107 HB -0.72 -0.09 0.02 -0.04 2.12 1.29 2c2bB1 VAL 107 HG13 -1.08 0.03 -0.16 -0.04 0.97 -0.28 2c2bB1 VAL 107 HG23 -0.30 0.03 -0.06 -0.04 0.95 0.58 2c2bB1 TRP 108 H -0.18 0.02 -0.13 -0.55 7.97 7.13 2c2bB1 TRP 108 HA -0.10 0.07 0.19 -0.75 4.62 4.02 2c2bB1 TRP 108 HB2 -0.23 0.26 0.02 -0.04 3.23 3.23 2c2bB1 TRP 108 HB3 -0.24 0.02 -0.01 -0.04 3.23 2.96 2c2bB1 TRP 108 HD1 -0.16 -0.06 -0.01 -0.04 7.22 6.95 2c2bB1 TRP 108 HE1 -0.06 0.01 -0.12 -0.04 10.20 10.00 2c2bB1 TRP 108 HE3 -0.08 0.00 -0.08 -0.04 7.59 7.39 2c2bB1 TRP 108 HZ2 -0.06 0.28 -0.34 -0.04 7.44 7.28 2c2bB1 TRP 108 HZ3 -0.03 0.02 -0.05 -0.04 7.13 7.03 2c2bB1 TRP 108 HH2 -0.04 0.02 -0.05 -0.04 7.19 7.09 2c2bB1 SER 109 H -0.04 0.31 -0.56 -0.55 8.46 7.62 2c2bB1 SER 109 HA 0.18 0.06 0.57 -0.75 4.49 4.55 2c2bB1 SER 109 HB2 -0.06 -0.03 0.00 -0.04 3.95 3.82 2c2bB1 SER 109 HB3 0.01 0.37 -0.05 -0.04 3.93 4.22 2c2bB1 LYS 110 H -0.30 0.36 -0.45 -0.55 8.42 7.48 2c2bB1 LYS 110 HA -0.94 0.20 0.72 -0.75 4.32 3.54 2c2bB1 LYS 110 HB2 -0.55 0.10 0.05 -0.04 1.87 1.43 2c2bB1 LYS 110 HB3 -1.04 -0.06 0.10 -0.04 1.79 0.75 2c2bB1 LYS 110 HG2 -1.22 -0.03 -0.05 -0.04 1.46 0.12 2c2bB1 LYS 110 HG3 -1.73 0.08 -0.23 -0.04 1.46 -0.46 2c2bB1 LYS 110 HD2 -0.46 -0.01 -0.13 -0.04 1.69 1.05 2c2bB1 LYS 110 HD3 -0.45 -0.06 0.05 -0.04 1.68 1.18 2c2bB1 LYS 110 HE2 -0.30 0.03 0.01 -0.04 2.99 2.69 2c2bB1 LYS 110 HE3 -0.37 -0.06 -0.13 -0.04 2.99 2.39 2c2bB1 LYS 111 H 0.10 0.45 -0.60 -0.55 8.42 7.81 2c2bB1 LYS 111 HA 0.19 -0.06 0.15 -0.75 4.32 3.85 2c2bB1 LYS 111 HB2 0.38 0.26 0.08 -0.04 1.87 2.55 2c2bB1 LYS 111 HB3 0.36 0.00 -0.02 -0.04 1.79 2.09 2c2bB1 LYS 111 HG2 0.29 -0.01 -0.32 -0.04 1.46 1.38 2c2bB1 LYS 111 HG3 0.44 -0.08 -0.06 -0.04 1.46 1.72 2c2bB1 LYS 111 HD2 0.04 -0.05 -0.07 -0.04 1.69 1.57 2c2bB1 LYS 111 HD3 0.29 -0.01 -0.10 -0.04 1.68 1.82 2c2bB1 LYS 111 HE2 0.18 0.02 -0.14 -0.04 2.99 3.01 2c2bB1 LYS 111 HE3 0.06 0.04 -0.10 -0.04 2.99 2.95 2c2bB1 GLU 112 H 0.17 0.16 -0.34 -0.55 8.60 8.05 2c2bB1 GLU 112 HA 0.19 0.05 0.26 -0.75 4.29 4.04 2c2bB1 GLU 112 HB2 0.22 0.02 -0.08 -0.04 2.09 2.21 2c2bB1 GLU 112 HB3 -0.20 0.01 -0.03 -0.04 1.99 1.73 2c2bB1 GLU 112 HG2 0.27 0.03 -0.03 -0.04 2.34 2.57 2c2bB1 GLU 112 HG3 0.32 0.02 -0.01 -0.04 2.34 2.63 2c2bB1 TRP 113 H 0.07 0.60 -0.49 -0.55 7.97 7.60 2c2bB1 TRP 113 HA -0.55 0.12 0.66 -0.75 4.62 4.09 2c2bB1 TRP 113 HB2 -0.33 0.14 0.00 -0.04 3.23 3.00 2c2bB1 TRP 113 HB3 -0.43 -0.05 0.06 -0.04 3.23 2.78 2c2bB1 TRP 113 HD1 -0.67 -0.12 -0.61 -0.04 7.22 5.78 2c2bB1 TRP 113 HE1 -3.34 0.03 -0.10 -0.04 10.20 6.75 2c2bB1 TRP 113 HE3 -0.25 -0.02 -0.06 -0.04 7.59 7.22 2c2bB1 TRP 113 HZ2 -1.24 0.04 -0.06 -0.04 7.44 6.13 2c2bB1 TRP 113 HZ3 -0.07 -0.03 -0.14 -0.04 7.13 6.85 2c2bB1 TRP 113 HH2 -0.13 -0.01 -0.09 -0.04 7.19 6.91 2c2bB1 VAL 114 H 0.08 0.45 -0.31 -0.55 8.24 7.91 2c2bB1 VAL 114 HA 0.04 0.14 0.76 -0.75 4.13 4.32 2c2bB1 VAL 114 HB -0.09 -0.05 -0.01 -0.04 2.12 1.93 2c2bB1 VAL 114 HG13 -0.36 -0.04 -0.30 -0.04 0.97 0.23 2c2bB1 VAL 114 HG23 -0.24 0.08 -0.21 -0.04 0.95 0.54 2c2bB1 LEU 115 H 0.24 0.23 -0.02 -0.55 8.37 8.27 2c2bB1 LEU 115 HA 0.17 0.16 0.63 -0.75 4.35 4.56 2c2bB1 LEU 115 HB2 0.51 -0.01 0.08 -0.04 1.64 2.18 2c2bB1 LEU 115 HB3 0.20 -0.10 0.07 -0.04 1.64 1.78 2c2bB1 LEU 115 HG 0.15 -0.01 -0.22 -0.04 1.64 1.52 2c2bB1 LEU 115 HD13 0.27 0.00 -0.03 -0.04 0.93 1.13 2c2bB1 LEU 115 HD23 0.05 0.02 0.01 -0.04 0.89 0.92 2c2bB1 PRO 116 HA 0.24 0.08 0.14 -0.51 4.44 4.39 2c2bB1 PRO 116 HB2 0.31 0.11 -0.27 -0.04 2.28 2.40 2c2bB1 PRO 116 HB3 0.28 0.16 -0.02 -0.04 2.02 2.40 2c2bB1 PRO 116 HG2 0.18 -0.04 -0.19 -0.04 2.03 1.93 2c2bB1 PRO 116 HG3 0.29 0.05 -0.30 -0.04 2.03 2.03 2c2bB1 PRO 116 HD2 0.17 0.05 -0.10 -0.04 3.68 3.76 2c2bB1 PRO 116 HD3 0.32 0.20 -0.47 -0.04 3.65 3.66 2c2bB1 GLU 117 H 0.13 -0.02 -0.40 -0.55 8.60 7.75 2c2bB1 GLU 117 HA 0.11 0.25 0.63 -0.75 4.29 4.52 2c2bB1 GLU 117 HB2 0.06 -0.09 0.00 -0.04 2.09 2.03 2c2bB1 GLU 117 HB3 0.05 0.01 0.03 -0.04 1.99 2.03 2c2bB1 GLU 117 HG2 0.08 0.08 -0.01 -0.04 2.34 2.45 2c2bB1 GLU 117 HG3 0.11 0.03 -0.11 -0.04 2.34 2.32 2c2bB1 ILE 118 H 0.09 0.13 -0.26 -0.55 8.25 7.66 2c2bB1 ILE 118 HA 0.02 0.05 0.44 -0.75 4.18 3.93 2c2bB1 ILE 118 HB 0.05 -0.08 -0.02 -0.04 1.89 1.80 2c2bB1 ILE 118 HG12 -0.09 0.17 -0.19 -0.04 1.49 1.33 2c2bB1 ILE 118 HG13 -0.02 -0.04 0.01 -0.04 1.21 1.12 2c2bB1 ILE 118 HG23 -0.03 0.07 -0.11 -0.04 0.93 0.82 2c2bB1 ILE 118 HD13 -0.04 0.02 -0.28 -0.04 0.88 0.54 2c2bB1 ASP 119 H -0.01 0.11 0.14 -0.55 8.40 8.10 2c2bB1 ASP 119 HA 0.00 0.14 0.55 -0.75 4.63 4.57 2c2bB1 ASP 119 HB2 0.01 0.11 0.13 -0.04 2.71 2.92 2c2bB1 ASP 119 HB3 -0.00 -0.05 0.03 -0.04 2.70 2.64 2c2bB1 ASP 120 H -0.01 0.20 0.15 -0.55 8.40 8.20 2c2bB1 ASP 120 HA -0.20 0.08 0.37 -0.75 4.63 4.13 2c2bB1 ASP 120 HB2 0.05 -0.02 0.10 -0.04 2.71 2.80 2c2bB1 ASP 120 HB3 0.11 0.03 -0.03 -0.04 2.70 2.77 2c2bB1 ASP 121 H 0.04 0.05 -0.30 -0.55 8.40 7.64 2c2bB1 ASP 121 HA 0.10 0.15 0.47 -0.75 4.63 4.59 2c2bB1 ASP 121 HB2 0.02 -0.02 -0.00 -0.04 2.71 2.66 2c2bB1 ASP 121 HB3 0.00 0.07 0.09 -0.04 2.70 2.82 2c2bB1 ASP 122 H -0.01 0.41 -0.52 -0.55 8.40 7.73 2c2bB1 ASP 122 HA 0.00 0.23 0.77 -0.75 4.63 4.87 2c2bB1 ASP 122 HB2 -0.04 0.06 0.04 -0.04 2.71 2.73 2c2bB1 ASP 122 HB3 -0.03 0.00 0.02 -0.04 2.70 2.66 2c2bB1 ILE 123 H -0.04 0.22 -0.21 -0.55 8.25 7.67 2c2bB1 ILE 123 HA -0.27 -0.02 0.41 -0.75 4.18 3.55 2c2bB1 ILE 123 HB -0.38 0.16 0.12 -0.04 1.89 1.74 2c2bB1 ILE 123 HG12 -1.24 -0.05 -0.09 -0.04 1.49 0.07 2c2bB1 ILE 123 HG13 -0.46 0.13 -0.10 -0.04 1.21 0.74 2c2bB1 ILE 123 HG23 -1.24 -0.05 -0.21 -0.04 0.93 -0.60 2c2bB1 ILE 123 HD13 -0.96 -0.01 -0.07 -0.04 0.88 -0.20 2c2bB1 VAL 124 H 0.02 0.14 0.13 -0.55 8.24 7.98 2c2bB1 VAL 124 HA 0.21 0.23 0.82 -0.75 4.13 4.63 2c2bB1 VAL 124 HB 0.22 -0.13 0.13 -0.04 2.12 2.29 2c2bB1 VAL 124 HG13 0.17 0.04 -0.09 -0.04 0.97 1.05 2c2bB1 VAL 124 HG23 0.08 0.06 -0.14 -0.04 0.95 0.90 2c2bB1 SER 125 H 0.49 0.35 0.02 -0.55 8.46 8.78 2c2bB1 SER 125 HA 0.45 0.10 0.96 -0.75 4.49 5.24 2c2bB1 SER 125 HB2 -0.11 0.04 -0.11 -0.04 3.95 3.73 2c2bB1 SER 125 HB3 0.05 0.11 0.04 -0.04 3.93 4.09 2c2bB1 ALA 126 H 0.37 0.06 0.08 -0.55 8.40 8.36 2c2bB1 ALA 126 HA 0.20 0.32 0.81 -0.75 4.34 4.91 2c2bB1 ALA 126 HB3 -0.07 0.02 0.07 -0.04 1.41 1.38 2c2bB1 PHE 127 H 0.39 0.13 -0.20 -0.55 8.34 8.11 2c2bB1 PHE 127 HA 0.14 0.01 0.20 -0.75 4.62 4.21 2c2bB1 PHE 127 HB2 0.14 -0.02 -0.25 -0.04 3.15 2.97 2c2bB1 PHE 127 HB3 0.11 0.10 0.00 -0.04 3.06 3.24 2c2bB1 PHE 127 HD2 0.10 -0.08 -0.10 -0.04 7.28 7.16 2c2bB1 PHE 127 HE2 0.07 0.02 -0.09 -0.04 7.38 7.34 2c2bB1 PHE 127 HZ 0.06 0.17 -0.01 -0.04 7.32 7.50 2c2bB1 GLU 128 H 0.22 -0.16 -0.36 -0.55 8.60 7.74 2c2bB1 GLU 128 HA 0.09 0.18 0.35 -0.75 4.29 4.15 2c2bB1 GLU 128 HB2 0.08 -0.07 -0.03 -0.04 2.09 2.02 2c2bB1 GLU 128 HB3 0.23 0.02 -0.03 -0.04 1.99 2.17 2c2bB1 GLU 128 HG2 -0.03 -0.09 -0.20 -0.04 2.34 1.98 2c2bB1 GLU 128 HG3 0.03 0.11 -0.13 -0.04 2.34 2.30 2c2bB1 GLY 129 H 0.01 0.06 0.11 -0.55 8.43 8.07 2c2bB1 GLY 129 HA2 -0.05 0.01 0.31 -0.51 4.01 3.77 2c2bB1 GLY 129 HA3 -0.12 -0.02 0.65 -0.51 4.01 4.01 2c2bB1 ASN 130 H -0.13 0.12 0.16 -0.55 8.53 8.13 2c2bB1 ASN 130 HA -0.12 0.06 0.29 -0.75 4.76 4.24 2c2bB1 ASN 130 HB2 -0.25 0.22 -0.05 -0.04 2.88 2.76 2c2bB1 ASN 130 HB3 -0.15 0.00 0.17 -0.04 2.79 2.77 2c2bB1 ASN 130 HD21 -0.48 0.47 0.07 -0.04 7.03 7.05 2c2bB1 ASN 130 HD22 -0.89 0.10 -0.15 -0.04 7.74 6.75 2c2bB1 SER 131 H -0.03 -0.15 -0.51 -0.55 8.46 7.22 2c2bB1 SER 131 HA 0.05 0.14 0.35 -0.75 4.49 4.28 2c2bB1 SER 131 HB2 0.10 0.16 -0.20 -0.04 3.95 3.97 2c2bB1 SER 131 HB3 0.06 0.06 -0.08 -0.04 3.93 3.94 2c2bB1 ASN 132 H 0.11 0.13 0.17 -0.55 8.53 8.39 2c2bB1 ASN 132 HA 0.07 0.11 0.39 -0.75 4.76 4.57 2c2bB1 ASN 132 HB2 0.16 0.09 0.15 -0.04 2.88 3.24 2c2bB1 ASN 132 HB3 0.24 -0.10 0.18 -0.04 2.79 3.07 2c2bB1 ASN 132 HD21 0.43 0.01 -0.04 -0.04 7.03 7.39 2c2bB1 ASN 132 HD22 0.41 -0.02 0.01 -0.04 7.74 8.09 2c2bB1 LEU 133 H 0.03 0.25 0.10 -0.55 8.37 8.21 2c2bB1 LEU 133 HA 0.09 0.05 0.72 -0.75 4.35 4.46 2c2bB1 LEU 133 HB2 -0.14 0.05 0.07 -0.04 1.64 1.58 2c2bB1 LEU 133 HB3 -0.15 0.05 0.18 -0.04 1.64 1.67 2c2bB1 LEU 133 HG -0.17 -0.00 -0.14 -0.04 1.64 1.28 2c2bB1 LEU 133 HD13 0.07 -0.02 -0.17 -0.04 0.93 0.78 2c2bB1 LEU 133 HD23 -0.74 0.03 -0.07 -0.04 0.89 0.07 2c2bB1 PHE 134 H 0.13 0.39 -0.08 -0.55 8.34 8.23 2c2bB1 PHE 134 HA 0.16 0.03 0.39 -0.75 4.62 4.44 2c2bB1 PHE 134 HB2 -0.02 -0.03 0.06 -0.04 3.15 3.11 2c2bB1 PHE 134 HB3 -0.39 0.07 0.18 -0.04 3.06 2.88 2c2bB1 PHE 134 HD2 0.07 -0.08 -0.18 -0.04 7.28 7.04 2c2bB1 PHE 134 HE2 0.01 -0.04 -0.09 -0.04 7.38 7.23 2c2bB1 PHE 134 HZ -0.01 0.11 0.01 -0.04 7.32 7.38 2c2bB1 TRP 135 H -0.24 0.16 0.22 -0.55 7.97 7.56 2c2bB1 TRP 135 HA -1.00 0.16 0.71 -0.75 4.62 3.73 2c2bB1 TRP 135 HB2 -1.55 0.09 0.12 -0.04 3.23 1.85 2c2bB1 TRP 135 HB3 -0.67 -0.06 0.25 -0.04 3.23 2.71 2c2bB1 TRP 135 HD1 -1.31 0.21 -0.13 -0.04 7.22 5.94 2c2bB1 TRP 135 HE1 -0.32 0.32 -0.04 -0.04 10.20 10.12 2c2bB1 TRP 135 HE3 -0.26 -0.02 0.06 -0.04 7.59 7.33 2c2bB1 TRP 135 HZ2 -0.10 0.10 0.08 -0.04 7.44 7.48 2c2bB1 TRP 135 HZ3 -0.09 -0.01 0.03 -0.04 7.13 7.02 2c2bB1 TRP 135 HH2 -0.07 -0.01 0.03 -0.04 7.19 7.10 2c2bB1 ALA 136 H -0.08 0.49 0.31 -0.55 8.40 8.57 2c2bB1 ALA 136 HA 0.05 0.06 0.58 -0.75 4.34 4.28 2c2bB1 ALA 136 HB3 0.25 -0.01 0.04 -0.04 1.41 1.65 2c2bB1 GLU 137 H -0.93 0.49 0.09 -0.55 8.60 7.70 2c2bB1 GLU 137 HA -0.94 0.18 0.49 -0.75 4.29 3.27 2c2bB1 GLU 137 HB2 -2.83 0.06 0.10 -0.04 2.09 -0.61 2c2bB1 GLU 137 HB3 -0.91 -0.05 0.20 -0.04 1.99 1.19 2c2bB1 GLU 137 HG2 -0.47 -0.02 -0.19 -0.04 2.34 1.62 2c2bB1 GLU 137 HG3 -0.75 0.05 0.05 -0.04 2.34 1.65 2c2bB1 ARG 138 H -0.27 0.16 0.10 -0.55 8.46 7.90 2c2bB1 ARG 138 HA -0.12 0.11 0.41 -0.75 4.34 3.98 2c2bB1 ARG 138 HB2 -0.08 0.02 0.16 -0.04 1.90 1.96 2c2bB1 ARG 138 HB3 0.04 0.03 0.14 -0.04 1.80 1.97 2c2bB1 ARG 138 HG2 0.04 -0.01 -0.06 -0.04 1.67 1.60 2c2bB1 ARG 138 HG3 -0.04 0.01 0.05 -0.04 1.67 1.65 2c2bB1 ARG 138 HD2 0.01 -0.00 0.04 -0.04 3.22 3.22 2c2bB1 ARG 138 HD3 0.07 0.02 0.05 -0.04 3.22 3.31 2c2bB1 PHE 139 H 0.16 0.05 -0.18 -0.55 8.34 7.81 2c2bB1 PHE 139 HA 0.31 0.13 0.40 -0.75 4.62 4.71 2c2bB1 PHE 139 HB2 0.01 0.08 0.04 -0.04 3.15 3.24 2c2bB1 PHE 139 HB3 0.02 -0.05 0.02 -0.04 3.06 3.00 2c2bB1 PHE 139 HD2 -0.20 0.07 -0.21 -0.04 7.28 6.90 2c2bB1 PHE 139 HE2 -0.25 -0.01 -0.14 -0.04 7.38 6.93 2c2bB1 PHE 139 HZ -0.09 -0.02 -0.10 -0.04 7.32 7.06 2c2bB1 GLY 140 H 0.00 0.37 -0.33 -0.55 8.43 7.93 2c2bB1 GLY 140 HA2 -0.19 -0.06 0.35 -0.51 4.01 3.60 2c2bB1 GLY 140 HA3 -0.05 0.28 0.37 -0.51 4.01 4.10 2c2bB1 LYS 141 H -0.12 0.66 0.02 -0.55 8.42 8.43 2c2bB1 LYS 141 HA -0.06 -0.06 0.40 -0.75 4.32 3.84 2c2bB1 LYS 141 HB2 -0.11 0.09 0.12 -0.04 1.87 1.93 2c2bB1 LYS 141 HB3 -0.07 -0.04 -0.03 -0.04 1.79 1.61 2c2bB1 LYS 141 HG2 -0.01 -0.08 -0.19 -0.04 1.46 1.14 2c2bB1 LYS 141 HG3 -0.06 0.15 0.05 -0.04 1.46 1.55 2c2bB1 LYS 141 HD2 -0.13 -0.02 -0.02 -0.04 1.69 1.48 2c2bB1 LYS 141 HD3 -0.04 -0.03 -0.03 -0.04 1.68 1.54 2c2bB1 LYS 141 HE2 0.08 -0.04 -0.02 -0.04 2.99 2.97 2c2bB1 LYS 141 HE3 0.15 0.06 0.07 -0.04 2.99 3.23 2c2bB1 GLN 142 H -0.12 0.42 -0.16 -0.55 8.47 8.07 2c2bB1 GLN 142 HA -0.21 0.12 0.53 -0.75 4.36 4.05 2c2bB1 GLN 142 HB2 -0.22 0.30 0.17 -0.04 2.15 2.36 2c2bB1 GLN 142 HB3 -0.62 -0.03 -0.02 -0.04 2.02 1.32 2c2bB1 GLN 142 HG2 -0.18 -0.01 0.01 -0.04 2.40 2.18 2c2bB1 GLN 142 HG3 -0.13 -0.06 0.02 -0.04 2.39 2.17 2c2bB1 GLN 142 HE21 -0.06 0.01 0.00 -0.04 6.97 6.88 2c2bB1 GLN 142 HE22 -0.08 -0.04 0.00 -0.04 7.69 7.53 2c2bB1 PHE 143 H -0.11 0.35 -0.07 -0.55 8.34 7.95 2c2bB1 PHE 143 HA -0.12 0.19 0.84 -0.75 4.62 4.78 2c2bB1 PHE 143 HB2 -0.72 0.18 0.10 -0.04 3.15 2.67 2c2bB1 PHE 143 HB3 -0.24 -0.09 0.02 -0.04 3.06 2.71 2c2bB1 PHE 143 HD2 -0.14 0.03 0.04 -0.04 7.28 7.17 2c2bB1 PHE 143 HE2 -0.11 -0.00 -0.08 -0.04 7.38 7.15 2c2bB1 PHE 143 HZ -0.07 0.04 -0.05 -0.04 7.32 7.19 2c2bB1 LEU 144 H -0.14 0.21 -0.03 -0.55 8.37 7.87 2c2bB1 LEU 144 HA -0.03 0.20 0.90 -0.75 4.35 4.67 2c2bB1 LEU 144 HB2 -0.17 0.05 0.06 -0.04 1.64 1.54 2c2bB1 LEU 144 HB3 -0.06 0.00 0.03 -0.04 1.64 1.57 2c2bB1 LEU 144 HG -0.19 -0.06 -0.40 -0.04 1.64 0.95 2c2bB1 LEU 144 HD13 -0.08 -0.02 -0.14 -0.04 0.93 0.64 2c2bB1 LEU 144 HD23 0.12 0.02 -0.07 -0.04 0.89 0.91 2c2bB1 GLY 145 H -0.08 0.09 -0.11 -0.55 8.43 7.77 2c2bB1 GLY 145 HA2 -0.05 0.11 0.35 -0.51 4.01 3.91 2c2bB1 GLY 145 HA3 -0.04 0.00 0.41 -0.51 4.01 3.87 2c2bB1 MET 146 H -0.04 0.59 -0.28 -0.55 8.47 8.19 2c2bB1 MET 146 HA 0.03 0.36 0.98 -0.75 4.52 5.13 2c2bB1 MET 146 HB2 0.01 -0.13 -0.03 -0.04 2.15 1.96 2c2bB1 MET 146 HB3 0.07 -0.05 -0.14 -0.04 2.03 1.87 2c2bB1 MET 146 HG2 0.01 0.11 -0.13 -0.04 2.63 2.58 2c2bB1 MET 146 HG3 -0.02 0.19 -0.43 -0.04 2.56 2.26 2c2bB1 MET 146 HE3 0.06 0.01 -0.15 -0.04 2.10 1.98 2c2bB1 ASN 147 H 0.08 0.33 0.11 -0.55 8.53 8.51 2c2bB1 ASN 147 HA 0.15 0.13 0.65 -0.75 4.76 4.94 2c2bB1 ASN 147 HB2 0.19 -0.02 0.07 -0.04 2.88 3.09 2c2bB1 ASN 147 HB3 0.10 0.00 -0.00 -0.04 2.79 2.85 2c2bB1 ASN 147 HD21 0.08 0.01 -0.06 -0.04 7.03 7.02 2c2bB1 ASN 147 HD22 0.11 -0.03 -0.09 -0.04 7.74 7.68 2c2bB1 ASP 148 H 0.17 0.19 -0.18 -0.55 8.40 8.03 2c2bB1 ASP 148 HA 0.25 0.20 0.82 -0.75 4.63 5.14 2c2bB1 ASP 148 HB2 0.17 -0.02 -0.12 -0.04 2.71 2.70 2c2bB1 ASP 148 HB3 0.21 0.12 -0.07 -0.04 2.70 2.92 2c2bB1 LEU 149 H 0.19 0.23 -0.31 -0.55 8.37 7.94 2c2bB1 LEU 149 HA 0.32 0.25 1.03 -0.75 4.35 5.20 2c2bB1 LEU 149 HB2 0.14 0.05 -0.07 -0.04 1.64 1.72 2c2bB1 LEU 149 HB3 0.10 0.06 0.05 -0.04 1.64 1.81 2c2bB1 LEU 149 HG 0.22 -0.08 -0.41 -0.04 1.64 1.33 2c2bB1 LEU 149 HD13 0.20 0.03 -0.11 -0.04 0.93 1.01 2c2bB1 LEU 149 HD23 0.24 -0.01 -0.12 -0.04 0.89 0.96 2c2bB1 TRP 150 H 0.53 0.86 0.41 -0.55 7.97 9.22 2c2bB1 TRP 150 HA 0.26 0.11 1.06 -0.75 4.62 5.30 2c2bB1 TRP 150 HB2 0.23 -0.03 0.03 -0.04 3.23 3.43 2c2bB1 TRP 150 HB3 0.13 0.01 -0.21 -0.04 3.23 3.11 2c2bB1 TRP 150 HD1 0.28 0.18 -0.24 -0.04 7.22 7.40 2c2bB1 TRP 150 HE1 0.13 0.01 -0.16 -0.04 10.20 10.15 2c2bB1 TRP 150 HE3 0.01 0.12 -0.47 -0.04 7.59 7.21 2c2bB1 TRP 150 HZ2 -0.34 0.01 -0.04 -0.04 7.44 7.02 2c2bB1 TRP 150 HZ3 -0.10 0.03 0.05 -0.04 7.13 7.06 2c2bB1 TRP 150 HH2 -0.33 -0.01 -0.00 -0.04 7.19 6.81 2c2bB1 VAL 151 H 0.31 0.78 0.29 -0.55 8.24 9.06 2c2bB1 VAL 151 HA 0.13 0.24 1.08 -0.75 4.13 4.82 2c2bB1 VAL 151 HB -0.00 -0.01 0.10 -0.04 2.12 2.17 2c2bB1 VAL 151 HG13 0.00 -0.02 -0.16 -0.04 0.97 0.75 2c2bB1 VAL 151 HG23 0.09 -0.01 -0.14 -0.04 0.95 0.85 2c2bB1 LYS 152 H 0.07 0.58 0.23 -0.55 8.42 8.75 2c2bB1 LYS 152 HA 0.03 0.26 0.78 -0.75 4.32 4.64 2c2bB1 LYS 152 HB2 0.10 0.09 -0.02 -0.04 1.87 1.99 2c2bB1 LYS 152 HB3 0.07 -0.14 0.16 -0.04 1.79 1.84 2c2bB1 LYS 152 HG2 0.13 -0.02 -0.09 -0.04 1.46 1.45 2c2bB1 LYS 152 HG3 0.09 -0.12 -0.28 -0.04 1.46 1.11 2c2bB1 LYS 152 HD2 0.04 0.15 -0.30 -0.04 1.69 1.55 2c2bB1 LYS 152 HD3 0.04 0.03 -0.11 -0.04 1.68 1.60 2c2bB1 LYS 152 HE2 0.02 0.07 -0.08 -0.04 2.99 2.96 2c2bB1 LYS 152 HE3 0.04 -0.15 -0.12 -0.04 2.99 2.72 2c2bB1 HIS 153 H 0.05 0.78 0.23 -0.55 8.41 8.92 2c2bB1 HIS 153 HA 0.03 0.01 0.55 -0.75 4.63 4.46 2c2bB1 HIS 153 HB2 0.06 0.13 0.24 -0.04 3.26 3.66 2c2bB1 HIS 153 HB3 0.01 -0.11 0.12 -0.04 3.20 3.18 2c2bB1 HIS 153 HD2 -0.06 -0.09 -0.21 -0.04 6.97 6.57 2c2bB1 HIS 153 HE1 -0.94 0.06 -0.05 -0.04 7.75 6.78 2c2bB1 CYS 154 H 0.14 0.57 0.11 -0.55 8.50 8.77 2c2bB1 CYS 154 HA 0.14 0.11 0.28 -0.75 4.58 4.35 2c2bB1 CYS 154 HB2 0.19 0.07 0.06 -0.04 2.97 3.25 2c2bB1 CYS 154 HB3 0.25 -0.10 0.01 -0.04 2.97 3.08 2c2bB1 GLY 155 H 0.14 0.08 -0.58 -0.55 8.43 7.52 2c2bB1 GLY 155 HA2 0.20 0.05 0.00 -0.51 4.01 3.75 2c2bB1 GLY 155 HA3 0.14 -0.06 -0.14 -0.51 4.01 3.44 2c2bB1 ILE 156 H 0.14 0.38 -0.56 -0.55 8.25 7.66 2c2bB1 ILE 156 HA 0.23 0.11 0.70 -0.75 4.18 4.46 2c2bB1 ILE 156 HB 0.13 0.06 0.20 -0.04 1.89 2.24 2c2bB1 ILE 156 HG12 0.16 0.03 -0.04 -0.04 1.49 1.60 2c2bB1 ILE 156 HG13 0.01 -0.19 -0.09 -0.04 1.21 0.90 2c2bB1 ILE 156 HG23 0.12 0.02 -0.02 -0.04 0.93 1.01 2c2bB1 ILE 156 HD13 0.04 0.01 0.04 -0.04 0.88 0.93 2c2bB1 SER 157 H 0.14 0.34 0.01 -0.55 8.46 8.41 2c2bB1 SER 157 HA 0.12 0.24 0.49 -0.75 4.49 4.59 2c2bB1 SER 157 HB2 0.16 -0.18 0.13 -0.04 3.95 4.02 2c2bB1 SER 157 HB3 0.12 0.14 -0.08 -0.04 3.93 4.07 2c2bB1 HIS 158 H 0.23 0.17 0.12 -0.55 8.41 8.38 2c2bB1 HIS 158 HA 0.04 0.14 0.32 -0.75 4.63 4.37 2c2bB1 HIS 158 HB2 0.05 0.09 0.17 -0.04 3.26 3.53 2c2bB1 HIS 158 HB3 0.05 -0.12 0.13 -0.04 3.20 3.21 2c2bB1 HIS 158 HD2 -0.03 0.05 0.04 -0.04 6.97 6.99 2c2bB1 HIS 158 HE1 -0.07 0.04 -0.06 -0.04 7.75 7.61 2c2bB1 THR 159 H 0.21 -0.00 -0.10 -0.55 8.28 7.84 2c2bB1 THR 159 HA 0.10 0.33 0.88 -0.75 4.39 4.95 2c2bB1 THR 159 HB 0.11 -0.00 -0.02 -0.04 4.32 4.37 2c2bB1 THR 159 HG23 0.24 0.03 -0.10 -0.04 1.22 1.34 2c2bB1 GLY 160 H 0.12 0.19 -0.24 -0.55 8.43 7.95 2c2bB1 GLY 160 HA2 0.13 0.26 0.43 -0.51 4.01 4.31 2c2bB1 GLY 160 HA3 0.08 0.10 0.55 -0.51 4.01 4.23 2c2bB1 SER 161 H 0.12 0.13 -0.06 -0.55 8.46 8.10 2c2bB1 SER 161 HA 0.21 0.11 0.67 -0.75 4.49 4.72 2c2bB1 SER 161 HB2 0.18 0.01 0.20 -0.04 3.95 4.29 2c2bB1 SER 161 HB3 0.12 0.04 -0.17 -0.04 3.93 3.88 2c2bB1 PHE 162 H 0.47 0.47 0.18 -0.55 8.34 8.90 2c2bB1 PHE 162 HA 0.06 0.19 0.37 -0.75 4.62 4.49 2c2bB1 PHE 162 HB2 0.06 0.02 0.12 -0.04 3.15 3.32 2c2bB1 PHE 162 HB3 0.09 0.07 0.11 -0.04 3.06 3.29 2c2bB1 PHE 162 HD2 0.05 0.18 0.15 -0.04 7.28 7.62 2c2bB1 PHE 162 HE2 0.04 -0.04 0.02 -0.04 7.38 7.35 2c2bB1 PHE 162 HZ 0.05 -0.10 0.02 -0.04 7.32 7.25 2c2bB1 ASP 164 HA 0.02 -0.01 0.32 -0.75 4.63 4.20 2c2bB1 ASP 164 HB2 0.13 0.09 -0.04 -0.04 2.71 2.86 2c2bB1 ASP 164 HB3 0.28 0.01 -0.02 -0.04 2.70 2.93 2c2bB1 LEU 165 H -0.02 0.43 -0.32 -0.55 8.37 7.91 2c2bB1 LEU 165 HA -0.12 0.02 0.39 -0.75 4.35 3.89 2c2bB1 LEU 165 HB2 -0.02 0.04 0.08 -0.04 1.64 1.70 2c2bB1 LEU 165 HB3 -0.12 0.11 -0.23 -0.04 1.64 1.36 2c2bB1 LEU 165 HG 0.06 0.04 0.03 -0.04 1.64 1.74 2c2bB1 LEU 165 HD13 0.04 0.01 0.00 -0.04 0.93 0.94 2c2bB1 LEU 165 HD23 -0.05 -0.02 -0.08 -0.04 0.89 0.71 2c2bB1 GLY 166 H -0.13 0.23 -0.05 -0.55 8.43 7.92 2c2bB1 GLY 166 HA2 -0.12 0.16 0.64 -0.51 4.01 4.18 2c2bB1 GLY 166 HA3 -0.10 0.00 0.30 -0.51 4.01 3.71 2c2bB1 MET 167 H -0.20 0.13 -0.25 -0.55 8.47 7.60 2c2bB1 MET 167 HA -0.13 0.01 0.37 -0.75 4.52 4.02 2c2bB1 MET 167 HB2 -0.36 0.07 0.01 -0.04 2.15 1.83 2c2bB1 MET 167 HB3 -0.30 0.12 -0.12 -0.04 2.03 1.69 2c2bB1 MET 167 HG2 -0.10 -0.08 -0.07 -0.04 2.63 2.34 2c2bB1 MET 167 HG3 -0.02 -0.01 -0.21 -0.04 2.56 2.27 2c2bB1 MET 167 HE3 -0.02 -0.02 -0.18 -0.04 2.10 1.84 2c2bB1 THR 168 H -0.41 0.44 -0.23 -0.55 8.28 7.53 2c2bB1 THR 168 HA -0.29 0.16 0.48 -0.75 4.39 3.99 2c2bB1 THR 168 HB -0.10 -0.02 0.15 -0.04 4.32 4.30 2c2bB1 THR 168 HG23 -0.23 0.02 -0.03 -0.04 1.22 0.93 2c2bB1 VAL 169 H -0.12 0.18 -0.42 -0.55 8.24 7.33 2c2bB1 VAL 169 HA 0.32 0.11 0.48 -0.75 4.13 4.30 2c2bB1 VAL 169 HB -0.08 0.07 0.12 -0.04 2.12 2.19 2c2bB1 VAL 169 HG13 0.02 -0.00 -0.15 -0.04 0.97 0.80 2c2bB1 VAL 169 HG23 -0.49 0.01 -0.07 -0.04 0.95 0.37 2c2bB1 LEU 170 H -0.03 0.33 -0.05 -0.55 8.37 8.08 2c2bB1 LEU 170 HA 0.01 0.04 0.35 -0.75 4.35 3.99 2c2bB1 LEU 170 HB2 0.02 -0.04 0.04 -0.04 1.64 1.62 2c2bB1 LEU 170 HB3 -0.00 0.04 0.10 -0.04 1.64 1.74 2c2bB1 LEU 170 HG 0.11 -0.00 -0.02 -0.04 1.64 1.68 2c2bB1 LEU 170 HD13 0.16 -0.03 -0.03 -0.04 0.93 0.98 2c2bB1 LEU 170 HD23 0.05 0.02 -0.24 -0.04 0.89 0.69 2c2bB1 VAL 171 H -0.03 0.60 -0.04 -0.55 8.24 8.23 2c2bB1 VAL 171 HA -0.00 0.02 0.29 -0.75 4.13 3.68 2c2bB1 VAL 171 HB 0.04 0.09 0.06 -0.04 2.12 2.27 2c2bB1 VAL 171 HG13 0.10 0.02 -0.26 -0.04 0.97 0.79 2c2bB1 VAL 171 HG23 0.05 -0.03 0.01 -0.04 0.95 0.94 2c2bB1 SER 172 H 0.11 0.30 -0.37 -0.55 8.46 7.95 2c2bB1 SER 172 HA 0.03 0.16 0.50 -0.75 4.49 4.43 2c2bB1 SER 172 HB2 0.27 0.09 0.20 -0.04 3.95 4.47 2c2bB1 SER 172 HB3 -0.04 -0.03 -0.05 -0.04 3.93 3.77 2c2bB1 GLN 173 H 0.05 0.49 -0.15 -0.55 8.47 8.32 2c2bB1 GLN 173 HA 0.01 -0.01 0.40 -0.75 4.36 4.00 2c2bB1 GLN 173 HB2 0.04 -0.01 0.10 -0.04 2.15 2.23 2c2bB1 GLN 173 HB3 -0.05 0.07 0.15 -0.04 2.02 2.15 2c2bB1 GLN 173 HG2 -0.00 -0.01 -0.01 -0.04 2.40 2.33 2c2bB1 GLN 173 HG3 -0.04 0.01 -0.17 -0.04 2.39 2.14 2c2bB1 GLN 173 HE21 0.01 -0.14 -0.26 -0.04 6.97 6.53 2c2bB1 GLN 173 HE22 0.01 0.22 -0.16 -0.04 7.69 7.72 2c2bB1 VAL 174 H -0.10 0.55 -0.07 -0.55 8.24 8.06 2c2bB1 VAL 174 HA -0.14 0.00 0.41 -0.75 4.13 3.65 2c2bB1 VAL 174 HB -0.07 0.07 0.08 -0.04 2.12 2.15 2c2bB1 VAL 174 HG13 -0.03 0.00 -0.17 -0.04 0.97 0.73 2c2bB1 VAL 174 HG23 -0.43 0.01 -0.05 -0.04 0.95 0.44 2c2bB1 ASN 175 H -0.01 0.69 -0.16 -0.55 8.53 8.50 2c2bB1 ASN 175 HA 0.00 0.01 0.48 -0.75 4.76 4.50 2c2bB1 ASN 175 HB2 0.02 -0.03 0.11 -0.04 2.88 2.94 2c2bB1 ASN 175 HB3 0.01 0.23 0.23 -0.04 2.79 3.21 2c2bB1 ASN 175 HD21 0.01 -0.04 -0.04 -0.04 7.03 6.92 2c2bB1 ASN 175 HD22 0.01 0.61 0.01 -0.04 7.74 8.34 2c2bB1 ARG 176 H -0.01 0.59 -0.06 -0.55 8.46 8.42 2c2bB1 ARG 176 HA -0.01 -0.01 0.47 -0.75 4.34 4.04 2c2bB1 ARG 176 HB2 -0.01 -0.07 0.09 -0.04 1.90 1.87 2c2bB1 ARG 176 HB3 -0.01 0.13 0.22 -0.04 1.80 2.11 2c2bB1 ARG 176 HG2 0.00 0.05 -0.39 -0.04 1.67 1.29 2c2bB1 ARG 176 HG3 0.00 -0.07 -0.01 -0.04 1.67 1.55 2c2bB1 ARG 176 HD2 0.01 -0.10 -0.06 -0.04 3.22 3.03 2c2bB1 ARG 176 HD3 0.01 0.02 -0.04 -0.04 3.22 3.17 2c2bB1 LEU 177 H -0.02 0.60 -0.11 -0.55 8.37 8.29 2c2bB1 LEU 177 HA 0.01 -0.02 0.38 -0.75 4.35 3.96 2c2bB1 LEU 177 HB2 -0.02 0.12 0.14 -0.04 1.64 1.83 2c2bB1 LEU 177 HB3 0.01 -0.05 -0.06 -0.04 1.64 1.51 2c2bB1 LEU 177 HG -0.02 0.14 0.02 -0.04 1.64 1.75 2c2bB1 LEU 177 HD13 -0.01 -0.02 -0.12 -0.04 0.93 0.74 2c2bB1 LEU 177 HD23 0.02 -0.04 0.03 -0.04 0.89 0.86 2c2bB1 ARG 178 H -0.00 0.57 -0.09 -0.55 8.46 8.38 2c2bB1 ARG 178 HA 0.01 0.11 0.49 -0.75 4.34 4.19 2c2bB1 ARG 178 HB2 0.00 0.07 0.17 -0.04 1.90 2.11 2c2bB1 ARG 178 HB3 0.01 -0.03 0.07 -0.04 1.80 1.80 2c2bB1 ARG 178 HG2 0.02 0.14 0.14 -0.04 1.67 1.92 2c2bB1 ARG 178 HG3 0.00 0.05 0.08 -0.04 1.67 1.77 2c2bB1 ARG 178 HD2 0.02 -0.15 -0.13 -0.04 3.22 2.91 2c2bB1 ARG 178 HD3 0.01 -0.03 -0.07 -0.04 3.22 3.08 2c2bB1 LYS 179 H 0.00 0.51 -0.19 -0.55 8.42 8.19 2c2bB1 LYS 179 HA 0.00 0.05 0.48 -0.75 4.32 4.10 2c2bB1 LYS 179 HB2 -0.00 0.11 0.16 -0.04 1.87 2.10 2c2bB1 LYS 179 HB3 -0.00 -0.10 0.09 -0.04 1.79 1.74 2c2bB1 LYS 179 HG2 -0.00 -0.07 0.06 -0.04 1.46 1.41 2c2bB1 LYS 179 HG3 -0.00 0.06 0.07 -0.04 1.46 1.56 2c2bB1 LYS 179 HD2 -0.00 0.02 0.02 -0.04 1.69 1.69 2c2bB1 LYS 179 HD3 -0.00 -0.02 -0.03 -0.04 1.68 1.59 2c2bB1 LYS 179 HE2 -0.00 -0.07 0.00 -0.04 2.99 2.88 2c2bB1 LYS 179 HE3 -0.01 -0.04 0.03 -0.04 2.99 2.93 2c2bB1 MET 180 H 0.01 0.37 -0.35 -0.55 8.47 7.95 2c2bB1 MET 180 HA 0.01 0.14 0.89 -0.75 4.52 4.80 2c2bB1 MET 180 HB2 0.01 -0.07 0.19 -0.04 2.15 2.24 2c2bB1 MET 180 HB3 0.01 -0.04 0.07 -0.04 2.03 2.03 2c2bB1 MET 180 HG2 0.01 0.32 0.16 -0.04 2.63 3.08 2c2bB1 MET 180 HG3 0.01 -0.01 0.02 -0.04 2.56 2.53 2c2bB1 MET 180 HE3 0.01 0.01 -0.03 -0.04 2.10 2.04 2c2bB1 LYS 181 H 0.01 0.36 -0.44 -0.55 8.42 7.79 2c2bB1 LYS 181 HA 0.01 0.11 0.31 -0.75 4.32 4.00 2c2bB1 LYS 181 HB2 0.01 0.08 -0.32 -0.04 1.87 1.61 2c2bB1 LYS 181 HB3 0.01 -0.07 0.21 -0.04 1.79 1.89 2c2bB1 LYS 181 HG2 0.01 -0.08 0.00 -0.04 1.46 1.34 2c2bB1 LYS 181 HG3 0.01 0.04 0.05 -0.04 1.46 1.51 2c2bB1 LYS 181 HD2 0.00 0.12 -0.14 -0.04 1.69 1.64 2c2bB1 LYS 181 HD3 0.00 -0.04 -0.12 -0.04 1.68 1.49 2c2bB1 LYS 181 HE2 0.00 0.01 0.02 -0.04 2.99 2.98 2c2bB1 LYS 181 HE3 0.00 0.01 0.01 -0.04 2.99 2.98 2c2bB1 ARG 182 H 0.01 0.41 -0.16 -0.55 8.46 8.17 2c2bB1 ARG 182 HA 0.02 0.08 0.62 -0.75 4.34 4.30 2c2bB1 ARG 182 HB2 0.02 0.25 -0.04 -0.04 1.90 2.09 2c2bB1 ARG 182 HB3 0.03 -0.04 -0.14 -0.04 1.80 1.60 2c2bB1 ARG 182 HG2 0.02 0.05 -0.06 -0.04 1.67 1.64 2c2bB1 ARG 182 HG3 0.02 -0.07 0.02 -0.04 1.67 1.60 2c2bB1 ARG 182 HD2 0.03 0.00 0.02 -0.04 3.22 3.23 2c2bB1 ARG 182 HD3 0.02 -0.00 0.03 -0.04 3.22 3.23 2c2bB1 PRO 183 HA 0.02 0.11 0.52 -0.51 4.44 4.58 2c2bB1 PRO 183 HB2 0.03 -0.01 0.17 -0.04 2.28 2.43 2c2bB1 PRO 183 HB3 0.02 0.02 0.11 -0.04 2.02 2.13 2c2bB1 PRO 183 HG2 0.03 -0.01 0.16 -0.04 2.03 2.17 2c2bB1 PRO 183 HG3 0.02 0.01 0.12 -0.04 2.03 2.14 2c2bB1 PRO 183 HD2 0.03 0.05 0.14 -0.04 3.68 3.87 2c2bB1 PRO 183 HD3 0.02 0.17 0.23 -0.04 3.65 4.03 2c2bB1 VAL 184 H 0.03 0.49 0.11 -0.55 8.24 8.32 2c2bB1 VAL 184 HA 0.07 0.24 0.70 -0.75 4.13 4.38 2c2bB1 VAL 184 HB 0.03 0.04 0.07 -0.04 2.12 2.22 2c2bB1 VAL 184 HG13 0.09 -0.04 -0.05 -0.04 0.97 0.93 2c2bB1 VAL 184 HG23 0.06 -0.02 -0.30 -0.04 0.95 0.65 2c2bB1 VAL 185 H 0.05 0.38 0.13 -0.55 8.24 8.25 2c2bB1 VAL 185 HA 0.02 0.14 0.52 -0.75 4.13 4.05 2c2bB1 VAL 185 HB 0.01 -0.02 0.00 -0.04 2.12 2.08 2c2bB1 VAL 185 HG13 0.02 -0.00 -0.02 -0.04 0.97 0.93 2c2bB1 VAL 185 HG23 0.04 0.01 -0.18 -0.04 0.95 0.79 2c2bB1 GLY 186 H 0.07 0.20 0.07 -0.55 8.43 8.23 2c2bB1 GLY 186 HA2 0.05 0.17 0.40 -0.51 4.01 4.12 2c2bB1 GLY 186 HA3 0.05 0.03 0.28 -0.51 4.01 3.86 2c2bB1 VAL 187 H 0.08 0.71 0.27 -0.55 8.24 8.74 2c2bB1 VAL 187 HA 0.19 0.23 1.05 -0.75 4.13 4.84 2c2bB1 VAL 187 HB 0.10 -0.03 0.04 -0.04 2.12 2.19 2c2bB1 VAL 187 HG13 0.21 -0.02 -0.08 -0.04 0.97 1.04 2c2bB1 VAL 187 HG23 0.07 0.02 -0.15 -0.04 0.95 0.85 2c2bB1 GLY 188 H 0.17 0.76 0.32 -0.55 8.43 9.14 2c2bB1 GLY 188 HA2 0.11 0.35 1.09 -0.51 4.01 5.06 2c2bB1 GLY 188 HA3 0.26 -0.02 0.29 -0.51 4.01 4.03 2c2bB1 CYS 189 H 0.14 0.61 0.46 -0.55 8.50 9.17 2c2bB1 CYS 189 HA 0.08 0.09 0.49 -0.75 4.58 4.49 2c2bB1 CYS 189 HB2 0.05 -0.09 0.31 -0.04 2.97 3.20 2c2bB1 CYS 189 HB3 0.08 0.13 0.03 -0.04 2.97 3.17 2c2bB1 ALA 190 H 0.04 0.10 0.23 -0.55 8.40 8.22 2c2bB1 ALA 190 HA 0.06 0.43 0.97 -0.75 4.34 5.04 2c2bB1 ALA 190 HB3 -0.05 -0.01 0.12 -0.04 1.41 1.43 2c2bB1 SER 191 H 0.04 0.02 0.04 -0.55 8.46 8.02 2c2bB1 SER 191 HA 0.06 0.06 0.55 -0.75 4.49 4.40 2c2bB1 SER 191 HB2 0.04 0.04 0.10 -0.04 3.95 4.09 2c2bB1 SER 191 HB3 0.04 0.10 0.07 -0.04 3.93 4.09 2c2bB1 THR 192 H 0.06 0.04 0.22 -0.55 8.28 8.04 2c2bB1 THR 192 HA 0.03 0.30 0.84 -0.75 4.39 4.80 2c2bB1 THR 192 HB 0.03 0.04 0.12 -0.04 4.32 4.47 2c2bB1 THR 192 HG23 0.06 0.04 -0.01 -0.04 1.22 1.27 2c2bB1 GLY 193 H 0.05 -0.18 -0.01 -0.55 8.43 7.74 2c2bB1 GLY 193 HA2 0.02 0.42 0.82 -0.51 4.01 4.75 2c2bB1 GLY 193 HA3 0.05 -0.08 0.40 -0.51 4.01 3.86 2c2bB1 ASP 194 H 0.05 0.11 0.15 -0.55 8.40 8.16 2c2bB1 ASP 194 HA 0.03 0.23 0.21 -0.75 4.63 4.34 2c2bB1 ASP 194 HB2 0.01 -0.09 0.12 -0.04 2.71 2.71 2c2bB1 ASP 194 HB3 -0.02 0.05 -0.04 -0.04 2.70 2.65 2c2bB1 THR 195 H 0.01 0.01 -0.08 -0.55 8.28 7.67 2c2bB1 THR 195 HA -0.03 0.10 0.32 -0.75 4.39 4.03 2c2bB1 THR 195 HB 0.02 -0.07 0.04 -0.04 4.32 4.27 2c2bB1 THR 195 HG23 0.01 0.04 -0.15 -0.04 1.22 1.08 2c2bB1 SER 196 H 0.03 0.00 -0.28 -0.55 8.46 7.66 2c2bB1 SER 196 HA 0.04 0.07 0.31 -0.75 4.49 4.15 2c2bB1 SER 196 HB2 0.02 0.10 -0.13 -0.04 3.95 3.90 2c2bB1 SER 196 HB3 0.03 -0.04 -0.05 -0.04 3.93 3.82 2c2bB1 ALA 197 H 0.03 0.33 -0.27 -0.55 8.40 7.94 2c2bB1 ALA 197 HA 0.04 0.05 0.33 -0.75 4.34 4.01 2c2bB1 ALA 197 HB3 0.04 0.04 0.06 -0.04 1.41 1.50 2c2bB1 ALA 198 H 0.05 0.46 -0.15 -0.55 8.40 8.22 2c2bB1 ALA 198 HA 0.18 0.04 0.46 -0.75 4.34 4.27 2c2bB1 ALA 198 HB3 0.05 -0.02 0.10 -0.04 1.41 1.50 2c2bB1 LEU 199 H 0.06 0.67 -0.03 -0.55 8.37 8.52 2c2bB1 LEU 199 HA 0.08 -0.03 0.32 -0.75 4.35 3.97 2c2bB1 LEU 199 HB2 0.05 -0.08 0.04 -0.04 1.64 1.60 2c2bB1 LEU 199 HB3 0.06 0.02 0.09 -0.04 1.64 1.77 2c2bB1 LEU 199 HG 0.07 0.10 -0.32 -0.04 1.64 1.45 2c2bB1 LEU 199 HD13 0.08 -0.02 -0.06 -0.04 0.93 0.89 2c2bB1 LEU 199 HD23 0.08 -0.02 -0.22 -0.04 0.89 0.68 2c2bB1 SER 200 H 0.07 0.62 -0.15 -0.55 8.46 8.46 2c2bB1 SER 200 HA 0.06 0.06 0.29 -0.75 4.49 4.14 2c2bB1 SER 200 HB2 0.05 0.03 0.02 -0.04 3.95 4.00 2c2bB1 SER 200 HB3 0.04 0.09 -0.05 -0.04 3.93 3.97 2c2bB1 ALA 201 H 0.09 0.29 -0.37 -0.55 8.40 7.87 2c2bB1 ALA 201 HA 0.03 0.11 0.42 -0.75 4.34 4.14 2c2bB1 ALA 201 HB3 0.01 0.01 0.07 -0.04 1.41 1.47 2c2bB1 TYR 202 H 0.24 0.42 -0.04 -0.55 8.29 8.36 2c2bB1 TYR 202 HA -0.05 0.03 0.37 -0.75 4.56 4.16 2c2bB1 TYR 202 HB2 0.01 0.07 0.08 -0.04 3.06 3.17 2c2bB1 TYR 202 HB3 0.02 0.02 -0.07 -0.04 2.98 2.91 2c2bB1 TYR 202 HD2 0.01 0.32 0.02 -0.04 7.15 7.46 2c2bB1 TYR 202 HE2 0.04 -0.13 0.06 -0.04 6.85 6.78 2c2bB1 CYS 203 H 0.13 0.45 -0.20 -0.55 8.50 8.33 2c2bB1 CYS 203 HA 0.07 -0.02 0.40 -0.75 4.58 4.28 2c2bB1 CYS 203 HB2 0.07 0.02 0.07 -0.04 2.97 3.10 2c2bB1 CYS 203 HB3 0.05 0.41 -0.07 -0.04 2.97 3.32 2c2bB1 ALA 204 H 0.04 0.43 -0.23 -0.55 8.40 8.09 2c2bB1 ALA 204 HA 0.02 0.05 0.37 -0.75 4.34 4.03 2c2bB1 ALA 204 HB3 0.02 0.06 0.17 -0.04 1.41 1.62 2c2bB1 SER 205 H -0.00 0.32 -0.25 -0.55 8.46 7.98 2c2bB1 SER 205 HA -0.01 0.05 0.47 -0.75 4.49 4.26 2c2bB1 SER 205 HB2 -0.02 -0.04 0.04 -0.04 3.95 3.89 2c2bB1 SER 205 HB3 -0.04 -0.03 0.08 -0.04 3.93 3.89 2c2bB1 ALA 206 H 0.03 0.30 -0.23 -0.55 8.40 7.95 2c2bB1 ALA 206 HA 0.01 0.11 0.60 -0.75 4.34 4.31 2c2bB1 ALA 206 HB3 0.04 -0.02 0.07 -0.04 1.41 1.46 2c2bB1 GLY 207 H 0.01 0.27 -0.52 -0.55 8.43 7.64 2c2bB1 GLY 207 HA2 0.00 0.04 0.25 -0.51 4.01 3.79 2c2bB1 GLY 207 HA3 0.00 0.01 0.49 -0.51 4.01 4.00 2c2bB1 ILE 208 H 0.02 0.49 -0.09 -0.55 8.25 8.12 2c2bB1 ILE 208 HA 0.02 0.22 0.73 -0.75 4.18 4.39 2c2bB1 ILE 208 HB 0.04 -0.14 0.08 -0.04 1.89 1.84 2c2bB1 ILE 208 HG12 0.02 0.08 -0.12 -0.04 1.49 1.43 2c2bB1 ILE 208 HG13 0.02 0.05 -0.27 -0.04 1.21 0.97 2c2bB1 ILE 208 HG23 0.03 0.02 -0.14 -0.04 0.93 0.80 2c2bB1 ILE 208 HD13 0.03 -0.05 -0.08 -0.04 0.88 0.74 2c2bB1 PRO 209 HA 0.01 0.06 0.47 -0.51 4.44 4.47 2c2bB1 PRO 209 HB2 0.00 -0.09 0.08 -0.04 2.28 2.23 2c2bB1 PRO 209 HB3 -0.03 -0.03 0.07 -0.04 2.02 1.98 2c2bB1 PRO 209 HG2 -0.01 0.17 0.20 -0.04 2.03 2.35 2c2bB1 PRO 209 HG3 -0.02 0.01 0.12 -0.04 2.03 2.10 2c2bB1 PRO 209 HD2 0.01 0.15 0.32 -0.04 3.68 4.12 2c2bB1 PRO 209 HD3 0.00 0.36 0.35 -0.04 3.65 4.32 2c2bB1 SER 210 H 0.04 0.23 0.24 -0.55 8.46 8.42 2c2bB1 SER 210 HA 0.05 0.29 1.00 -0.75 4.49 5.07 2c2bB1 SER 210 HB2 0.05 0.12 -0.06 -0.04 3.95 4.02 2c2bB1 SER 210 HB3 0.04 0.01 0.11 -0.04 3.93 4.06 2c2bB1 ILE 211 H 0.03 0.68 0.36 -0.55 8.25 8.78 2c2bB1 ILE 211 HA -0.03 0.34 1.05 -0.75 4.18 4.78 2c2bB1 ILE 211 HB -0.07 -0.09 -0.00 -0.04 1.89 1.68 2c2bB1 ILE 211 HG12 0.03 0.05 -0.15 -0.04 1.49 1.38 2c2bB1 ILE 211 HG13 0.02 -0.08 -0.58 -0.04 1.21 0.53 2c2bB1 ILE 211 HG23 -0.60 0.01 -0.14 -0.04 0.93 0.15 2c2bB1 ILE 211 HD13 0.05 -0.00 -0.23 -0.04 0.88 0.66 2c2bB1 VAL 212 H -0.17 0.58 0.15 -0.55 8.24 8.25 2c2bB1 VAL 212 HA -0.05 0.20 1.05 -0.75 4.13 4.59 2c2bB1 VAL 212 HB -0.08 -0.05 0.05 -0.04 2.12 2.00 2c2bB1 VAL 212 HG13 -0.01 -0.02 -0.24 -0.04 0.97 0.67 2c2bB1 VAL 212 HG23 -0.01 -0.01 -0.27 -0.04 0.95 0.62 2c2bB1 PHE 213 H 0.14 0.50 0.27 -0.55 8.34 8.70 2c2bB1 PHE 213 HA -0.03 0.11 0.81 -0.75 4.62 4.76 2c2bB1 PHE 213 HB2 -0.06 -0.04 0.10 -0.04 3.15 3.11 2c2bB1 PHE 213 HB3 -0.05 -0.03 -0.02 -0.04 3.06 2.92 2c2bB1 PHE 213 HD2 -0.01 0.01 -0.04 -0.04 7.28 7.19 2c2bB1 PHE 213 HE2 0.02 0.02 -0.11 -0.04 7.38 7.27 2c2bB1 PHE 213 HZ 0.03 0.05 -0.12 -0.04 7.32 7.24 2c2bB1 LEU 214 H 0.04 0.50 0.29 -0.55 8.37 8.65 2c2bB1 LEU 214 HA 0.01 0.11 0.80 -0.75 4.35 4.51 2c2bB1 LEU 214 HB2 -0.01 0.10 -0.11 -0.04 1.64 1.57 2c2bB1 LEU 214 HB3 0.01 0.04 -0.13 -0.04 1.64 1.53 2c2bB1 LEU 214 HG 0.01 -0.02 -0.53 -0.04 1.64 1.06 2c2bB1 LEU 214 HD13 0.00 -0.00 -0.16 -0.04 0.93 0.74 2c2bB1 LEU 214 HD23 0.03 0.01 -0.00 -0.04 0.89 0.88 2c2bB1 PRO 215 HA 0.01 0.21 0.77 -0.51 4.44 4.92 2c2bB1 PRO 215 HB2 0.05 -0.19 0.10 -0.04 2.28 2.20 2c2bB1 PRO 215 HB3 0.04 0.32 0.16 -0.04 2.02 2.51 2c2bB1 PRO 215 HG2 0.11 -0.02 0.03 -0.04 2.03 2.11 2c2bB1 PRO 215 HG3 0.00 0.09 -0.12 -0.04 2.03 1.96 2c2bB1 PRO 215 HD2 0.04 0.11 0.19 -0.04 3.68 3.98 2c2bB1 PRO 215 HD3 -0.03 0.17 0.19 -0.04 3.65 3.95 2c2bB1 ALA 216 H 0.01 0.82 0.30 -0.55 8.40 8.99 2c2bB1 ALA 216 HA -0.00 0.06 0.23 -0.75 4.34 3.87 2c2bB1 ALA 216 HB3 -0.00 0.01 -0.23 -0.04 1.41 1.15 2c2bB1 ASN 217 H 0.02 0.06 -0.28 -0.55 8.53 7.79 2c2bB1 ASN 217 HA 0.01 0.20 0.64 -0.75 4.76 4.86 2c2bB1 ASN 217 HB2 0.02 0.03 0.06 -0.04 2.88 2.95 2c2bB1 ASN 217 HB3 0.01 0.00 0.04 -0.04 2.79 2.80 2c2bB1 ASN 217 HD21 0.04 -0.06 -0.02 -0.04 7.03 6.94 2c2bB1 ASN 217 HD22 0.02 0.03 -0.03 -0.04 7.74 7.72 2c2bB1 LYS 218 H 0.03 0.21 -0.21 -0.55 8.42 7.90 2c2bB1 LYS 218 HA 0.03 0.16 0.67 -0.75 4.32 4.43 2c2bB1 LYS 218 HB2 0.06 0.04 0.11 -0.04 1.87 2.04 2c2bB1 LYS 218 HB3 0.06 -0.03 0.18 -0.04 1.79 1.95 2c2bB1 LYS 218 HG2 0.05 0.06 -0.01 -0.04 1.46 1.52 2c2bB1 LYS 218 HG3 0.07 -0.06 -0.03 -0.04 1.46 1.39 2c2bB1 LYS 218 HD2 0.17 -0.02 0.05 -0.04 1.69 1.85 2c2bB1 LYS 218 HD3 0.10 -0.01 0.05 -0.04 1.68 1.78 2c2bB1 LYS 218 HE2 0.08 -0.03 0.02 -0.04 2.99 3.02 2c2bB1 LYS 218 HE3 0.07 -0.03 0.04 -0.04 2.99 3.02 2c2bB1 ILE 219 H 0.01 0.19 -0.64 -0.55 8.25 7.26 2c2bB1 ILE 219 HA 0.00 0.03 0.50 -0.75 4.18 3.96 2c2bB1 ILE 219 HB -0.01 0.12 0.05 -0.04 1.89 2.01 2c2bB1 ILE 219 HG12 -0.00 0.09 -0.12 -0.04 1.49 1.42 2c2bB1 ILE 219 HG13 -0.02 -0.03 -0.06 -0.04 1.21 1.06 2c2bB1 ILE 219 HG23 -0.02 -0.02 -0.24 -0.04 0.93 0.60 2c2bB1 ILE 219 HD13 -0.02 0.01 -0.23 -0.04 0.88 0.60 2c2bB1 SER 220 H 0.00 0.23 0.17 -0.55 8.46 8.31 2c2bB1 SER 220 HA -0.00 0.21 0.84 -0.75 4.49 4.79 2c2bB1 SER 220 HB2 0.01 0.16 -0.03 -0.04 3.95 4.04 2c2bB1 SER 220 HB3 0.01 0.00 0.15 -0.04 3.93 4.04 2c2bB1 MET 221 H -0.01 0.23 0.10 -0.55 8.47 8.25 2c2bB1 MET 221 HA -0.01 0.15 0.41 -0.75 4.52 4.31 2c2bB1 MET 221 HB2 -0.01 -0.03 0.11 -0.04 2.15 2.18 2c2bB1 MET 221 HB3 -0.01 0.07 -0.01 -0.04 2.03 2.04 2c2bB1 MET 221 HG2 -0.01 -0.01 -0.02 -0.04 2.63 2.55 2c2bB1 MET 221 HG3 -0.01 0.05 0.00 -0.04 2.56 2.56 2c2bB1 MET 221 HE3 -0.02 -0.02 -0.20 -0.04 2.10 1.82 2c2bB1 ALA 222 H -0.01 0.03 -0.08 -0.55 8.40 7.80 2c2bB1 ALA 222 HA -0.01 0.19 0.56 -0.75 4.34 4.32 2c2bB1 ALA 222 HB3 -0.01 0.01 0.07 -0.04 1.41 1.44 2c2bB1 GLN 223 H -0.01 0.00 -0.13 -0.55 8.47 7.78 2c2bB1 GLN 223 HA -0.03 0.06 0.44 -0.75 4.36 4.07 2c2bB1 GLN 223 HB2 0.00 -0.00 0.14 -0.04 2.15 2.25 2c2bB1 GLN 223 HB3 0.00 0.15 0.08 -0.04 2.02 2.21 2c2bB1 GLN 223 HG2 -0.01 -0.00 0.07 -0.04 2.40 2.41 2c2bB1 GLN 223 HG3 -0.00 -0.07 0.07 -0.04 2.39 2.34 2c2bB1 GLN 223 HE21 0.04 -0.00 0.02 -0.04 6.97 6.98 2c2bB1 GLN 223 HE22 0.02 -0.03 0.02 -0.04 7.69 7.67 2c2bB1 LEU 224 H -0.01 0.31 -0.36 -0.55 8.37 7.76 2c2bB1 LEU 224 HA -0.00 0.16 0.68 -0.75 4.35 4.44 2c2bB1 LEU 224 HB2 -0.01 0.16 0.08 -0.04 1.64 1.83 2c2bB1 LEU 224 HB3 -0.01 -0.07 0.13 -0.04 1.64 1.64 2c2bB1 LEU 224 HG -0.00 -0.06 -0.02 -0.04 1.64 1.52 2c2bB1 LEU 224 HD13 -0.02 0.00 -0.05 -0.04 0.93 0.83 2c2bB1 LEU 224 HD23 -0.00 0.01 -0.03 -0.04 0.89 0.83 2c2bB1 VAL 225 H -0.01 0.37 -0.52 -0.55 8.24 7.52 2c2bB1 VAL 225 HA -0.01 0.06 0.28 -0.75 4.13 3.71 2c2bB1 VAL 225 HB -0.02 0.10 0.22 -0.04 2.12 2.39 2c2bB1 VAL 225 HG13 -0.02 0.00 -0.01 -0.04 0.97 0.90 2c2bB1 VAL 225 HG23 -0.01 -0.01 0.05 -0.04 0.95 0.93 2c2bB1 GLN 226 H -0.00 0.10 -0.31 -0.55 8.47 7.71 2c2bB1 GLN 226 HA 0.01 0.14 0.58 -0.75 4.36 4.34 2c2bB1 GLN 226 HB2 0.01 -0.03 0.10 -0.04 2.15 2.20 2c2bB1 GLN 226 HB3 0.03 0.05 -0.00 -0.04 2.02 2.06 2c2bB1 GLN 226 HG2 0.01 0.05 0.00 -0.04 2.40 2.43 2c2bB1 GLN 226 HG3 -0.00 -0.05 -0.04 -0.04 2.39 2.26 2c2bB1 GLN 226 HE21 0.01 0.11 0.07 -0.04 6.97 7.12 2c2bB1 GLN 226 HE22 -0.01 -0.03 0.03 -0.04 7.69 7.65 2c2bB1 PRO 227 HA 0.03 0.09 0.40 -0.51 4.44 4.45 2c2bB1 PRO 227 HB2 -0.00 0.08 -0.10 -0.04 2.28 2.22 2c2bB1 PRO 227 HB3 0.01 0.02 -0.09 -0.04 2.02 1.92 2c2bB1 PRO 227 HG2 0.01 0.03 -0.13 -0.04 2.03 1.89 2c2bB1 PRO 227 HG3 0.02 0.00 -0.47 -0.04 2.03 1.55 2c2bB1 PRO 227 HD2 0.00 0.19 -0.07 -0.04 3.68 3.76 2c2bB1 PRO 227 HD3 0.02 0.01 0.05 -0.04 3.65 3.69 2c2bB1 ILE 228 H -0.00 0.52 -0.26 -0.55 8.25 7.96 2c2bB1 ILE 228 HA -0.01 0.07 0.41 -0.75 4.18 3.89 2c2bB1 ILE 228 HB -0.01 0.08 0.03 -0.04 1.89 1.95 2c2bB1 ILE 228 HG12 -0.02 0.09 0.02 -0.04 1.49 1.55 2c2bB1 ILE 228 HG13 -0.02 -0.06 -0.09 -0.04 1.21 1.00 2c2bB1 ILE 228 HG23 -0.01 -0.01 -0.13 -0.04 0.93 0.74 2c2bB1 ILE 228 HD13 -0.04 -0.01 -0.02 -0.04 0.88 0.78 2c2bB1 ALA 229 H 0.00 0.38 -0.16 -0.55 8.40 8.07 2c2bB1 ALA 229 HA 0.00 0.03 0.48 -0.75 4.34 4.09 2c2bB1 ALA 229 HB3 0.00 0.00 0.15 -0.04 1.41 1.52 2c2bB1 ASN 230 H 0.02 0.39 -0.30 -0.55 8.53 8.09 2c2bB1 ASN 230 HA 0.02 0.08 0.47 -0.75 4.76 4.58 2c2bB1 ASN 230 HB2 0.03 -0.06 -0.03 -0.04 2.88 2.78 2c2bB1 ASN 230 HB3 0.03 0.08 -0.07 -0.04 2.79 2.79 2c2bB1 ASN 230 HD21 0.07 -0.07 -0.06 -0.04 7.03 6.94 2c2bB1 ASN 230 HD22 0.05 -0.09 -0.21 -0.04 7.74 7.45 2c2bB1 GLY 231 H 0.02 0.27 -0.71 -0.55 8.43 7.46 2c2bB1 GLY 231 HA2 0.03 0.01 0.26 -0.51 4.01 3.80 2c2bB1 GLY 231 HA3 0.03 0.04 0.39 -0.51 4.01 3.96 2c2bB1 ALA 232 H 0.03 0.43 -0.01 -0.55 8.40 8.30 2c2bB1 ALA 232 HA 0.06 0.15 0.82 -0.75 4.34 4.62 2c2bB1 ALA 232 HB3 0.02 -0.04 -0.14 -0.04 1.41 1.21 2c2bB1 PHE 233 H 0.16 0.61 0.29 -0.55 8.34 8.84 2c2bB1 PHE 233 HA -0.05 0.07 0.54 -0.75 4.62 4.42 2c2bB1 PHE 233 HB2 -0.05 0.07 0.14 -0.04 3.15 3.27 2c2bB1 PHE 233 HB3 -0.10 -0.08 0.22 -0.04 3.06 3.06 2c2bB1 PHE 233 HD2 -0.07 -0.01 -0.07 -0.04 7.28 7.09 2c2bB1 PHE 233 HE2 -0.03 -0.02 -0.06 -0.04 7.38 7.23 2c2bB1 PHE 233 HZ -0.02 -0.02 -0.05 -0.04 7.32 7.19 2c2bB1 VAL 234 H -0.22 0.30 0.20 -0.55 8.24 7.97 2c2bB1 VAL 234 HA -0.17 0.05 0.74 -0.75 4.13 4.01 2c2bB1 VAL 234 HB -0.13 0.00 0.09 -0.04 2.12 2.04 2c2bB1 VAL 234 HG13 -0.08 -0.02 -0.21 -0.04 0.97 0.62 2c2bB1 VAL 234 HG23 -0.05 0.06 -0.18 -0.04 0.95 0.73 2c2bB1 LEU 235 H -0.21 0.71 0.33 -0.55 8.37 8.65 2c2bB1 LEU 235 HA -0.22 0.14 0.83 -0.75 4.35 4.34 2c2bB1 LEU 235 HB2 -0.17 -0.02 0.16 -0.04 1.64 1.57 2c2bB1 LEU 235 HB3 -0.05 -0.04 -0.08 -0.04 1.64 1.44 2c2bB1 LEU 235 HG -0.24 0.06 -0.24 -0.04 1.64 1.18 2c2bB1 LEU 235 HD13 -0.10 -0.01 -0.10 -0.04 0.93 0.67 2c2bB1 LEU 235 HD23 -0.07 0.02 -0.09 -0.04 0.89 0.70 2c2bB1 SER 236 H -0.10 0.22 0.12 -0.55 8.46 8.16 2c2bB1 SER 236 HA -0.03 0.20 0.73 -0.75 4.49 4.64 2c2bB1 SER 236 HB2 -0.04 0.00 0.17 -0.04 3.95 4.04 2c2bB1 SER 236 HB3 -0.02 -0.05 0.02 -0.04 3.93 3.84 2c2bB1 ILE 237 H 0.00 0.68 0.30 -0.55 8.25 8.68 2c2bB1 ILE 237 HA 0.01 0.20 0.81 -0.75 4.18 4.44 2c2bB1 ILE 237 HB 0.02 -0.06 -0.01 -0.04 1.89 1.80 2c2bB1 ILE 237 HG12 0.06 0.05 -0.19 -0.04 1.49 1.38 2c2bB1 ILE 237 HG13 0.04 0.06 -0.30 -0.04 1.21 0.97 2c2bB1 ILE 237 HG23 0.02 0.01 -0.16 -0.04 0.93 0.76 2c2bB1 ILE 237 HD13 0.16 -0.01 -0.10 -0.04 0.88 0.89 2c2bB1 ASP 238 H 0.01 0.25 0.13 -0.55 8.40 8.23 2c2bB1 ASP 238 HA 0.01 0.04 0.46 -0.75 4.63 4.38 2c2bB1 ASP 238 HB2 0.00 0.05 0.15 -0.04 2.71 2.87 2c2bB1 ASP 238 HB3 0.01 0.02 0.23 -0.04 2.70 2.92 2c2bB1 THR 239 H 0.01 0.56 0.14 -0.55 8.28 8.45 2c2bB1 THR 239 HA 0.01 0.17 0.55 -0.75 4.39 4.37 2c2bB1 THR 239 HB 0.01 -0.20 0.13 -0.04 4.32 4.22 2c2bB1 THR 239 HG23 0.01 0.07 0.05 -0.04 1.22 1.30 2c2bB1 ASP 240 H 0.03 0.08 0.14 -0.55 8.40 8.09 2c2bB1 ASP 240 HA 0.06 0.26 0.83 -0.75 4.63 5.03 2c2bB1 ASP 240 HB2 0.09 -0.10 0.26 -0.04 2.71 2.92 2c2bB1 ASP 240 HB3 0.05 0.14 0.10 -0.04 2.70 2.95 2c2bB1 PHE 241 H 0.21 0.21 0.20 -0.55 8.34 8.40 2c2bB1 PHE 241 HA 0.01 0.15 0.46 -0.75 4.62 4.48 2c2bB1 PHE 241 HB2 0.01 0.04 0.20 -0.04 3.15 3.35 2c2bB1 PHE 241 HB3 0.00 0.01 0.12 -0.04 3.06 3.15 2c2bB1 PHE 241 HD2 0.00 0.01 -0.02 -0.04 7.28 7.23 2c2bB1 PHE 241 HE2 0.01 0.02 0.03 -0.04 7.38 7.40 2c2bB1 PHE 241 HZ 0.01 -0.03 0.03 -0.04 7.32 7.30 2c2bB1 ASP 242 H 0.14 0.10 -0.02 -0.55 8.40 8.07 2c2bB1 ASP 242 HA 0.04 0.13 0.50 -0.75 4.63 4.54 2c2bB1 ASP 242 HB2 0.05 -0.03 0.06 -0.04 2.71 2.75 2c2bB1 ASP 242 HB3 0.03 0.09 0.00 -0.04 2.70 2.78 2c2bB1 GLY 243 H 0.01 0.00 -0.37 -0.55 8.43 7.53 2c2bB1 GLY 243 HA2 -0.02 0.13 0.38 -0.51 4.01 3.99 2c2bB1 GLY 243 HA3 -0.01 0.01 0.22 -0.51 4.01 3.72 2c2bB1 CYS 244 H -0.08 0.29 -0.33 -0.55 8.50 7.84 2c2bB1 CYS 244 HA -0.07 0.10 0.46 -0.75 4.58 4.31 2c2bB1 CYS 244 HB2 -0.21 0.11 0.09 -0.04 2.97 2.92 2c2bB1 CYS 244 HB3 -0.11 0.02 -0.13 -0.04 2.97 2.71 2c2bB1 MET 245 H -0.17 0.32 -0.08 -0.55 8.47 7.99 2c2bB1 MET 245 HA -0.18 0.03 0.35 -0.75 4.52 3.96 2c2bB1 MET 245 HB2 -0.08 0.07 0.07 -0.04 2.15 2.16 2c2bB1 MET 245 HB3 -0.11 0.00 0.05 -0.04 2.03 1.94 2c2bB1 MET 245 HG2 -0.29 0.32 0.19 -0.04 2.63 2.81 2c2bB1 MET 245 HG3 -0.12 -0.03 0.03 -0.04 2.56 2.40 2c2bB1 MET 245 HE3 -0.89 0.01 0.05 -0.04 2.10 1.23 2c2bB1 LYS 246 H -0.08 0.39 -0.30 -0.55 8.42 7.87 2c2bB1 LYS 246 HA -0.07 0.07 0.51 -0.75 4.32 4.07 2c2bB1 LYS 246 HB2 -0.04 0.01 0.08 -0.04 1.87 1.89 2c2bB1 LYS 246 HB3 -0.04 0.07 0.07 -0.04 1.79 1.85 2c2bB1 LYS 246 HG2 -0.04 0.02 -0.19 -0.04 1.46 1.20 2c2bB1 LYS 246 HG3 -0.04 -0.01 0.02 -0.04 1.46 1.40 2c2bB1 LYS 246 HD2 -0.02 0.01 -0.03 -0.04 1.69 1.61 2c2bB1 LYS 246 HD3 -0.02 -0.03 -0.03 -0.04 1.68 1.56 2c2bB1 LYS 246 HE2 -0.01 -0.04 -0.03 -0.04 2.99 2.87 2c2bB1 LYS 246 HE3 -0.02 0.03 -0.00 -0.04 2.99 2.95 2c2bB1 LEU 247 H -0.10 0.26 -0.38 -0.55 8.37 7.61 2c2bB1 LEU 247 HA -0.07 0.07 0.42 -0.75 4.35 4.01 2c2bB1 LEU 247 HB2 -0.06 0.24 0.21 -0.04 1.64 1.98 2c2bB1 LEU 247 HB3 -0.11 0.01 0.03 -0.04 1.64 1.52 2c2bB1 LEU 247 HG -0.00 -0.04 -0.03 -0.04 1.64 1.53 2c2bB1 LEU 247 HD13 -0.01 -0.01 -0.04 -0.04 0.93 0.83 2c2bB1 LEU 247 HD23 -0.02 0.00 -0.02 -0.04 0.89 0.81 2c2bB1 ILE 248 H -0.25 0.52 -0.05 -0.55 8.25 7.92 2c2bB1 ILE 248 HA -0.52 0.04 0.39 -0.75 4.18 3.33 2c2bB1 ILE 248 HB -0.30 0.06 0.03 -0.04 1.89 1.64 2c2bB1 ILE 248 HG12 -1.32 -0.02 -0.04 -0.04 1.49 0.07 2c2bB1 ILE 248 HG13 -0.45 0.23 0.05 -0.04 1.21 1.00 2c2bB1 ILE 248 HG23 -0.42 -0.01 -0.09 -0.04 0.93 0.37 2c2bB1 ILE 248 HD13 -0.22 -0.03 -0.14 -0.04 0.88 0.45 2c2bB1 ARG 249 H -0.16 0.31 -0.39 -0.55 8.46 7.67 2c2bB1 ARG 249 HA -0.13 0.03 0.40 -0.75 4.34 3.89 2c2bB1 ARG 249 HB2 -0.11 0.07 0.12 -0.04 1.90 1.94 2c2bB1 ARG 249 HB3 -0.08 0.16 0.03 -0.04 1.80 1.86 2c2bB1 ARG 249 HG2 -0.08 -0.00 0.04 -0.04 1.67 1.59 2c2bB1 ARG 249 HG3 -0.08 -0.04 0.01 -0.04 1.67 1.52 2c2bB1 ARG 249 HD2 -0.05 0.02 -0.15 -0.04 3.22 3.01 2c2bB1 ARG 249 HD3 -0.04 -0.02 -0.04 -0.04 3.22 3.08 2c2bB1 GLU 250 H -0.10 0.28 -0.37 -0.55 8.60 7.86 2c2bB1 GLU 250 HA -0.04 0.07 0.43 -0.75 4.29 3.99 2c2bB1 GLU 250 HB2 -0.05 0.15 0.14 -0.04 2.09 2.29 2c2bB1 GLU 250 HB3 -0.03 -0.03 0.03 -0.04 1.99 1.92 2c2bB1 GLU 250 HG2 -0.03 -0.03 0.01 -0.04 2.34 2.25 2c2bB1 GLU 250 HG3 -0.05 0.18 0.08 -0.04 2.34 2.51 2c2bB1 ILE 251 H -0.11 0.28 -0.19 -0.55 8.25 7.68 2c2bB1 ILE 251 HA -0.01 0.09 0.60 -0.75 4.18 4.10 2c2bB1 ILE 251 HB -0.11 0.04 0.11 -0.04 1.89 1.89 2c2bB1 ILE 251 HG12 -0.11 0.30 0.04 -0.04 1.49 1.68 2c2bB1 ILE 251 HG13 0.00 -0.06 -0.06 -0.04 1.21 1.05 2c2bB1 ILE 251 HG23 0.09 -0.00 -0.07 -0.04 0.93 0.91 2c2bB1 ILE 251 HD13 0.03 -0.01 -0.09 -0.04 0.88 0.76 2c2bB1 THR 252 H -0.09 0.55 0.04 -0.55 8.28 8.22 2c2bB1 THR 252 HA -0.00 0.28 0.52 -0.75 4.39 4.44 2c2bB1 THR 252 HB -0.03 -0.01 0.12 -0.04 4.32 4.36 2c2bB1 THR 252 HG23 -0.08 -0.03 0.06 -0.04 1.22 1.13 2c2bB1 ALA 253 H -0.03 0.13 -0.68 -0.55 8.40 7.26 2c2bB1 ALA 253 HA -0.01 0.10 0.67 -0.75 4.34 4.35 2c2bB1 ALA 253 HB3 -0.02 0.01 0.05 -0.04 1.41 1.41 2c2bB1 GLU 254 H -0.00 0.31 -0.28 -0.55 8.60 8.08 2c2bB1 GLU 254 HA 0.01 0.13 0.86 -0.75 4.29 4.54 2c2bB1 GLU 254 HB2 0.01 0.00 0.22 -0.04 2.09 2.28 2c2bB1 GLU 254 HB3 0.01 -0.06 0.02 -0.04 1.99 1.92 2c2bB1 GLU 254 HG2 -0.00 -0.03 -0.19 -0.04 2.34 2.08 2c2bB1 GLU 254 HG3 0.00 -0.01 0.04 -0.04 2.34 2.33 2c2bB1 LEU 255 H 0.02 0.60 0.28 -0.55 8.37 8.73 2c2bB1 LEU 255 HA 0.03 0.21 0.82 -0.75 4.35 4.65 2c2bB1 LEU 255 HB2 0.04 -0.02 0.06 -0.04 1.64 1.68 2c2bB1 LEU 255 HB3 0.04 -0.03 -0.13 -0.04 1.64 1.49 2c2bB1 LEU 255 HG 0.02 -0.03 -0.10 -0.04 1.64 1.50 2c2bB1 LEU 255 HD13 0.04 -0.02 -0.06 -0.04 0.93 0.85 2c2bB1 LEU 255 HD23 0.02 0.02 -0.02 -0.04 0.89 0.86 2c2bB1 PRO 256 HA 0.06 0.19 0.53 -0.51 4.44 4.71 2c2bB1 PRO 256 HB2 0.06 0.17 0.21 -0.04 2.28 2.68 2c2bB1 PRO 256 HB3 0.05 0.06 0.08 -0.04 2.02 2.16 2c2bB1 PRO 256 HG2 0.04 -0.12 -0.10 -0.04 2.03 1.81 2c2bB1 PRO 256 HG3 0.03 0.08 0.04 -0.04 2.03 2.14 2c2bB1 PRO 256 HD2 0.04 0.00 0.07 -0.04 3.68 3.74 2c2bB1 PRO 256 HD3 0.03 0.23 0.21 -0.04 3.65 4.07 2c2bB1 ILE 257 H 0.07 0.45 0.09 -0.55 8.25 8.31 2c2bB1 ILE 257 HA 0.12 0.19 0.84 -0.75 4.18 4.57 2c2bB1 ILE 257 HB 0.10 -0.02 -0.02 -0.04 1.89 1.91 2c2bB1 ILE 257 HG12 0.10 0.02 -0.26 -0.04 1.49 1.31 2c2bB1 ILE 257 HG13 0.09 -0.05 -0.45 -0.04 1.21 0.75 2c2bB1 ILE 257 HG23 0.18 -0.02 -0.42 -0.04 0.93 0.63 2c2bB1 ILE 257 HD13 0.17 -0.01 -0.19 -0.04 0.88 0.82 2c2bB1 TYR 258 H 0.24 0.60 0.30 -0.55 8.29 8.88 2c2bB1 TYR 258 HA 0.19 0.05 0.59 -0.75 4.56 4.62 2c2bB1 TYR 258 HB2 0.07 0.10 0.09 -0.04 3.06 3.29 2c2bB1 TYR 258 HB3 0.08 -0.05 0.12 -0.04 2.98 3.10 2c2bB1 TYR 258 HD2 0.05 -0.02 -0.21 -0.04 7.15 6.94 2c2bB1 TYR 258 HE2 -0.01 -0.05 -0.03 -0.04 6.85 6.71 2c2bB1 LEU 259 H -0.03 0.16 0.18 -0.55 8.37 8.13 2c2bB1 LEU 259 HA 0.05 0.24 0.85 -0.75 4.35 4.74 2c2bB1 LEU 259 HB2 -0.52 0.02 0.11 -0.04 1.64 1.21 2c2bB1 LEU 259 HB3 -0.23 -0.11 -0.13 -0.04 1.64 1.12 2c2bB1 LEU 259 HG -0.09 0.10 -0.17 -0.04 1.64 1.44 2c2bB1 LEU 259 HD13 -0.36 0.00 -0.07 -0.04 0.93 0.45 2c2bB1 LEU 259 HD23 -0.08 -0.01 -0.17 -0.04 0.89 0.59 2c2bB1 ALA 260 H 0.09 0.79 0.39 -0.55 8.40 9.12 2c2bB1 ALA 260 HA 0.13 0.09 0.92 -0.75 4.34 4.73 2c2bB1 ALA 260 HB3 0.12 0.00 0.05 -0.04 1.41 1.54 2c2bB1 ASN 261 H 0.05 0.24 0.17 -0.55 8.53 8.45 2c2bB1 ASN 261 HA 0.02 0.10 0.64 -0.75 4.76 4.77 2c2bB1 ASN 261 HB2 -0.01 -0.12 0.20 -0.04 2.88 2.90 2c2bB1 ASN 261 HB3 -0.04 0.16 -0.12 -0.04 2.79 2.74 2c2bB1 ASN 261 HD21 -0.08 0.13 -0.04 -0.04 7.03 7.00 2c2bB1 ASN 261 HD22 -0.06 0.02 0.00 -0.04 7.74 7.66 2c2bB1 SER 262 H 0.02 0.19 0.17 -0.55 8.46 8.30 2c2bB1 SER 262 HA 0.04 0.06 0.43 -0.75 4.49 4.26 2c2bB1 SER 262 HB2 0.03 0.09 0.06 -0.04 3.95 4.08 2c2bB1 SER 262 HB3 0.04 -0.05 0.14 -0.04 3.93 4.03 2c2bB1 LEU 263 H 0.01 0.02 -0.19 -0.55 8.37 7.67 2c2bB1 LEU 263 HA -0.00 0.07 0.44 -0.75 4.35 4.10 2c2bB1 LEU 263 HB2 0.01 0.01 0.01 -0.04 1.64 1.64 2c2bB1 LEU 263 HB3 -0.00 0.11 0.12 -0.04 1.64 1.83 2c2bB1 LEU 263 HG -0.02 -0.12 0.05 -0.04 1.64 1.51 2c2bB1 LEU 263 HD13 -0.03 0.04 -0.01 -0.04 0.93 0.89 2c2bB1 LEU 263 HD23 -0.01 -0.01 0.00 -0.04 0.89 0.83 2c2bB1 ASN 264 H 0.04 0.12 -0.36 -0.55 8.53 7.79 2c2bB1 ASN 264 HA 0.06 0.08 0.36 -0.75 4.76 4.51 2c2bB1 ASN 264 HB2 0.09 -0.10 0.21 -0.04 2.88 3.05 2c2bB1 ASN 264 HB3 0.08 -0.00 0.17 -0.04 2.79 2.99 2c2bB1 ASN 264 HD21 0.33 0.10 0.07 -0.04 7.03 7.48 2c2bB1 ASN 264 HD22 0.12 0.09 0.12 -0.04 7.74 8.02 2c2bB1 SER 265 H 0.07 0.20 0.23 -0.55 8.46 8.42 2c2bB1 SER 265 HA 0.10 0.16 0.69 -0.75 4.49 4.68 2c2bB1 SER 265 HB2 0.16 -0.08 0.09 -0.04 3.95 4.08 2c2bB1 SER 265 HB3 0.09 0.28 0.01 -0.04 3.93 4.26 2c2bB1 LEU 266 H 0.17 0.09 -0.03 -0.55 8.37 8.06 2c2bB1 LEU 266 HA 0.12 0.20 0.48 -0.75 4.35 4.39 2c2bB1 LEU 266 HB2 0.28 0.04 0.08 -0.04 1.64 2.01 2c2bB1 LEU 266 HB3 0.15 -0.04 -0.01 -0.04 1.64 1.70 2c2bB1 LEU 266 HG 0.07 -0.05 -0.19 -0.04 1.64 1.43 2c2bB1 LEU 266 HD13 0.02 0.02 -0.01 -0.04 0.93 0.92 2c2bB1 LEU 266 HD23 0.11 0.03 -0.01 -0.04 0.89 0.97 2c2bB1 ARG 267 H 0.08 0.12 -0.27 -0.55 8.46 7.84 2c2bB1 ARG 267 HA -0.02 0.26 0.59 -0.75 4.34 4.43 2c2bB1 ARG 267 HB2 -0.02 -0.14 -0.02 -0.04 1.90 1.67 2c2bB1 ARG 267 HB3 0.03 0.03 -0.02 -0.04 1.80 1.80 2c2bB1 ARG 267 HG2 0.06 0.19 -0.04 -0.04 1.67 1.84 2c2bB1 ARG 267 HG3 0.04 -0.04 -0.18 -0.04 1.67 1.45 2c2bB1 ARG 267 HD2 0.05 -0.04 -0.01 -0.04 3.22 3.18 2c2bB1 ARG 267 HD3 0.05 0.17 0.02 -0.04 3.22 3.42 2c2bB1 LEU 268 H 0.06 0.22 -0.43 -0.55 8.37 7.68 2c2bB1 LEU 268 HA 0.04 -0.05 0.42 -0.75 4.35 4.01 2c2bB1 LEU 268 HB2 0.10 0.28 0.10 -0.04 1.64 2.08 2c2bB1 LEU 268 HB3 0.09 0.00 0.06 -0.04 1.64 1.75 2c2bB1 LEU 268 HG 0.10 0.07 0.10 -0.04 1.64 1.87 2c2bB1 LEU 268 HD13 0.21 0.01 0.05 -0.04 0.93 1.17 2c2bB1 LEU 268 HD23 0.13 -0.03 -0.05 -0.04 0.89 0.91 2c2bB1 GLU 269 H 0.01 0.25 -0.41 -0.55 8.60 7.90 2c2bB1 GLU 269 HA -0.03 0.12 0.43 -0.75 4.29 4.06 2c2bB1 GLU 269 HB2 -0.02 0.13 0.08 -0.04 2.09 2.24 2c2bB1 GLU 269 HB3 -0.00 0.08 0.04 -0.04 1.99 2.06 2c2bB1 GLU 269 HG2 0.06 -0.01 0.12 -0.04 2.34 2.47 2c2bB1 GLU 269 HG3 0.04 0.07 0.05 -0.04 2.34 2.46 2c2bB1 GLY 270 H -0.12 0.18 -0.27 -0.55 8.43 7.67 2c2bB1 GLY 270 HA2 -0.33 0.12 0.59 -0.51 4.01 3.88 2c2bB1 GLY 270 HA3 -0.24 0.25 0.22 -0.51 4.01 3.74 2c2bB1 GLN 271 H -0.09 0.40 -0.12 -0.55 8.47 8.12 2c2bB1 GLN 271 HA -0.07 -0.02 0.25 -0.75 4.36 3.76 2c2bB1 GLN 271 HB2 -0.00 0.08 0.14 -0.04 2.15 2.33 2c2bB1 GLN 271 HB3 0.03 -0.05 0.01 -0.04 2.02 1.96 2c2bB1 GLN 271 HG2 0.19 -0.00 0.04 -0.04 2.40 2.58 2c2bB1 GLN 271 HG3 0.00 0.12 0.02 -0.04 2.39 2.49 2c2bB1 GLN 271 HE21 0.05 -0.07 -0.09 -0.04 6.97 6.82 2c2bB1 GLN 271 HE22 -0.11 -0.04 -0.08 -0.04 7.69 7.42 2c2bB1 LYS 272 H -0.17 0.52 -0.41 -0.55 8.42 7.81 2c2bB1 LYS 272 HA -0.40 -0.01 0.22 -0.75 4.32 3.39 2c2bB1 LYS 272 HB2 -0.21 -0.02 0.09 -0.04 1.87 1.69 2c2bB1 LYS 272 HB3 -0.15 0.05 0.13 -0.04 1.79 1.77 2c2bB1 LYS 272 HG2 -0.14 0.22 0.01 -0.04 1.46 1.51 2c2bB1 LYS 272 HG3 -0.15 -0.03 -0.25 -0.04 1.46 0.98 2c2bB1 LYS 272 HD2 -0.11 -0.04 -0.14 -0.04 1.69 1.36 2c2bB1 LYS 272 HD3 -0.06 -0.08 -0.02 -0.04 1.68 1.48 2c2bB1 LYS 272 HE2 -0.06 0.08 0.05 -0.04 2.99 3.02 2c2bB1 LYS 272 HE3 -0.05 -0.07 -0.05 -0.04 2.99 2.79 2c2bB1 THR 273 H -0.26 0.47 -0.40 -0.55 8.28 7.55 2c2bB1 THR 273 HA -0.26 0.06 0.43 -0.75 4.39 3.86 2c2bB1 THR 273 HB -0.30 0.14 0.19 -0.04 4.32 4.30 2c2bB1 THR 273 HG23 -0.31 0.04 0.10 -0.04 1.22 1.01 2c2bB1 ALA 274 H -0.40 0.40 -0.49 -0.55 8.40 7.36 2c2bB1 ALA 274 HA -0.18 0.04 0.48 -0.75 4.34 3.93 2c2bB1 ALA 274 HB3 -0.37 0.00 0.05 -0.04 1.41 1.05 2c2bB1 ALA 275 H -0.65 0.29 -0.15 -0.55 8.40 7.34 2c2bB1 ALA 275 HA -0.41 0.05 0.47 -0.75 4.34 3.70 2c2bB1 ALA 275 HB3 -1.25 0.02 0.15 -0.04 1.41 0.29 2c2bB1 ILE 276 H -0.30 0.30 -0.11 -0.55 8.25 7.58 2c2bB1 ILE 276 HA 0.02 0.08 0.30 -0.75 4.18 3.82 2c2bB1 ILE 276 HB -0.22 0.07 0.11 -0.04 1.89 1.81 2c2bB1 ILE 276 HG12 0.12 0.10 0.01 -0.04 1.49 1.68 2c2bB1 ILE 276 HG13 -0.15 -0.00 0.07 -0.04 1.21 1.09 2c2bB1 ILE 276 HG23 -0.07 0.00 -0.09 -0.04 0.93 0.73 2c2bB1 ILE 276 HD13 -0.05 -0.01 -0.05 -0.04 0.88 0.73 2c2bB1 GLU 277 H -0.21 0.52 -0.31 -0.55 8.60 8.06 2c2bB1 GLU 277 HA -0.25 0.03 0.38 -0.75 4.29 3.70 2c2bB1 GLU 277 HB2 -0.19 0.18 0.18 -0.04 2.09 2.21 2c2bB1 GLU 277 HB3 -0.14 0.05 0.13 -0.04 1.99 2.00 2c2bB1 GLU 277 HG2 -0.14 0.04 -0.15 -0.04 2.34 2.05 2c2bB1 GLU 277 HG3 -0.18 0.03 0.04 -0.04 2.34 2.19 2c2bB1 ILE 278 H -0.07 0.47 -0.23 -0.55 8.25 7.88 2c2bB1 ILE 278 HA -0.08 -0.02 0.35 -0.75 4.18 3.67 2c2bB1 ILE 278 HB 0.23 0.15 0.15 -0.04 1.89 2.38 2c2bB1 ILE 278 HG12 0.10 -0.06 -0.03 -0.04 1.49 1.46 2c2bB1 ILE 278 HG13 0.07 0.04 0.04 -0.04 1.21 1.32 2c2bB1 ILE 278 HG23 0.28 -0.00 -0.16 -0.04 0.93 1.01 2c2bB1 ILE 278 HD13 0.32 -0.05 -0.10 -0.04 0.88 1.02 2c2bB1 LEU 279 H 0.02 0.42 -0.31 -0.55 8.37 7.96 2c2bB1 LEU 279 HA 0.07 0.14 0.39 -0.75 4.35 4.20 2c2bB1 LEU 279 HB2 0.12 0.12 0.13 -0.04 1.64 1.97 2c2bB1 LEU 279 HB3 0.11 -0.03 -0.10 -0.04 1.64 1.58 2c2bB1 LEU 279 HG 0.25 -0.03 -0.23 -0.04 1.64 1.59 2c2bB1 LEU 279 HD13 0.32 0.03 -0.10 -0.04 0.93 1.13 2c2bB1 LEU 279 HD23 0.39 0.00 -0.08 -0.04 0.89 1.16 2c2bB1 GLN 280 H -0.59 0.58 -0.01 -0.55 8.47 7.91 2c2bB1 GLN 280 HA -2.01 -0.03 0.40 -0.75 4.36 1.97 2c2bB1 GLN 280 HB2 -0.94 0.04 0.07 -0.04 2.15 1.28 2c2bB1 GLN 280 HB3 -0.48 0.07 0.13 -0.04 2.02 1.69 2c2bB1 GLN 280 HG2 -0.33 0.00 -0.11 -0.04 2.40 1.92 2c2bB1 GLN 280 HG3 -0.55 -0.02 0.02 -0.04 2.39 1.80 2c2bB1 GLN 280 HE21 0.07 0.35 -0.22 -0.04 6.97 7.14 2c2bB1 GLN 280 HE22 0.05 -0.04 -0.10 -0.04 7.69 7.56 2c2bB1 GLN 281 H -0.36 0.66 -0.22 -0.55 8.47 8.00 2c2bB1 GLN 281 HA -0.31 0.04 0.46 -0.75 4.36 3.80 2c2bB1 GLN 281 HB2 -0.36 0.09 0.07 -0.04 2.15 1.90 2c2bB1 GLN 281 HB3 -0.43 -0.07 0.06 -0.04 2.02 1.54 2c2bB1 GLN 281 HG2 -0.21 -0.02 -0.01 -0.04 2.40 2.12 2c2bB1 GLN 281 HG3 -0.24 0.09 -0.02 -0.04 2.39 2.19 2c2bB1 GLN 281 HE21 -0.07 0.41 -0.15 -0.04 6.97 7.11 2c2bB1 GLN 281 HE22 -0.11 -0.01 -0.13 -0.04 7.69 7.41 2c2bB1 PHE 282 H -0.22 0.35 -0.44 -0.55 8.34 7.48 2c2bB1 PHE 282 HA -0.30 0.13 0.82 -0.75 4.62 4.51 2c2bB1 PHE 282 HB2 -0.22 0.16 0.19 -0.04 3.15 3.25 2c2bB1 PHE 282 HB3 -0.19 -0.07 0.20 -0.04 3.06 2.97 2c2bB1 PHE 282 HD2 -0.30 0.08 0.00 -0.04 7.28 7.02 2c2bB1 PHE 282 HE2 -0.60 -0.07 -0.09 -0.04 7.38 6.59 2c2bB1 PHE 282 HZ -1.88 -0.05 -0.13 -0.04 7.32 5.22 2c2bB1 ASP 283 H -0.26 0.34 -0.48 -0.55 8.40 7.45 2c2bB1 ASP 283 HA -0.20 0.07 0.31 -0.75 4.63 4.07 2c2bB1 ASP 283 HB2 0.02 0.12 0.09 -0.04 2.71 2.90 2c2bB1 ASP 283 HB3 0.06 -0.05 0.14 -0.04 2.70 2.80 2c2bB1 TRP 284 H -0.55 0.38 -0.06 -0.55 7.97 7.20 2c2bB1 TRP 284 HA 0.06 -0.07 0.05 -0.75 4.62 3.90 2c2bB1 TRP 284 HB2 0.03 0.12 -0.01 -0.04 3.23 3.33 2c2bB1 TRP 284 HB3 0.05 0.03 0.07 -0.04 3.23 3.34 2c2bB1 TRP 284 HD1 0.01 0.04 -0.24 -0.04 7.22 6.99 2c2bB1 TRP 284 HE1 0.01 0.04 -0.03 -0.04 10.20 10.18 2c2bB1 TRP 284 HE3 0.08 0.01 -0.16 -0.04 7.59 7.48 2c2bB1 TRP 284 HZ2 0.08 0.05 0.00 -0.04 7.44 7.54 2c2bB1 TRP 284 HZ3 0.08 -0.04 -0.05 -0.04 7.13 7.08 2c2bB1 TRP 284 HH2 0.13 -0.03 -0.07 -0.04 7.19 7.18 2c2bB1 GLN 285 H 0.07 0.23 -0.42 -0.55 8.47 7.80 2c2bB1 GLN 285 HA 0.04 0.07 0.82 -0.75 4.36 4.54 2c2bB1 GLN 285 HB2 -0.04 0.11 0.07 -0.04 2.15 2.25 2c2bB1 GLN 285 HB3 -0.09 -0.07 -0.05 -0.04 2.02 1.77 2c2bB1 GLN 285 HG2 0.03 -0.07 -0.01 -0.04 2.40 2.30 2c2bB1 GLN 285 HG3 0.06 0.23 -0.27 -0.04 2.39 2.37 2c2bB1 GLN 285 HE21 0.02 -0.10 -0.01 -0.04 6.97 6.84 2c2bB1 GLN 285 HE22 0.04 0.04 -0.01 -0.04 7.69 7.71 2c2bB1 VAL 286 H -0.03 0.10 0.02 -0.55 8.24 7.78 2c2bB1 VAL 286 HA -0.07 0.09 0.32 -0.75 4.13 3.72 2c2bB1 VAL 286 HB -0.09 -0.05 -0.05 -0.04 2.12 1.89 2c2bB1 VAL 286 HG13 -0.19 0.06 -0.38 -0.04 0.97 0.42 2c2bB1 VAL 286 HG23 0.03 0.00 -0.09 -0.04 0.95 0.85 2c2bB1 PRO 287 HA -0.29 0.02 0.53 -0.51 4.44 4.18 2c2bB1 PRO 287 HB2 -0.13 -0.02 -0.18 -0.04 2.28 1.92 2c2bB1 PRO 287 HB3 -0.12 0.03 -0.07 -0.04 2.02 1.81 2c2bB1 PRO 287 HG2 0.02 -0.06 -0.05 -0.04 2.03 1.90 2c2bB1 PRO 287 HG3 -0.30 0.09 -0.03 -0.04 2.03 1.75 2c2bB1 PRO 287 HD2 -0.20 0.02 0.09 -0.04 3.68 3.55 2c2bB1 PRO 287 HD3 -0.09 0.33 0.20 -0.04 3.65 4.05 2c2bB1 ASP 288 H -0.10 0.21 0.30 -0.55 8.40 8.26 2c2bB1 ASP 288 HA -0.31 0.10 0.61 -0.75 4.63 4.28 2c2bB1 ASP 288 HB2 0.10 0.02 0.10 -0.04 2.71 2.90 2c2bB1 ASP 288 HB3 -0.30 -0.00 0.07 -0.04 2.70 2.43 2c2bB1 TRP 289 H 0.10 0.47 0.15 -0.55 7.97 8.15 2c2bB1 TRP 289 HA -0.04 0.52 0.99 -0.75 4.62 5.34 2c2bB1 TRP 289 HB2 0.02 -0.07 -0.03 -0.04 3.23 3.11 2c2bB1 TRP 289 HB3 0.01 -0.07 -0.13 -0.04 3.23 3.00 2c2bB1 TRP 289 HD1 0.00 -0.05 -0.23 -0.04 7.22 6.91 2c2bB1 TRP 289 HE1 0.00 -0.01 -0.02 -0.04 10.20 10.12 2c2bB1 TRP 289 HE3 -0.01 -0.04 -0.30 -0.04 7.59 7.20 2c2bB1 TRP 289 HZ2 0.01 0.12 -0.07 -0.04 7.44 7.46 2c2bB1 TRP 289 HZ3 0.00 -0.02 -0.23 -0.04 7.13 6.84 2c2bB1 TRP 289 HH2 0.02 0.03 -0.08 -0.04 7.19 7.11 2c2bB1 VAL 290 H 0.17 0.59 0.24 -0.55 8.24 8.69 2c2bB1 VAL 290 HA 0.13 0.27 0.88 -0.75 4.13 4.66 2c2bB1 VAL 290 HB 0.07 0.01 0.04 -0.04 2.12 2.19 2c2bB1 VAL 290 HG13 0.10 -0.04 -0.16 -0.04 0.97 0.83 2c2bB1 VAL 290 HG23 0.01 0.01 -0.18 -0.04 0.95 0.76 2c2bB1 ILE 291 H 0.07 0.75 0.34 -0.55 8.25 8.86 2c2bB1 ILE 291 HA 0.05 0.23 1.04 -0.75 4.18 4.74 2c2bB1 ILE 291 HB 0.03 -0.10 0.13 -0.04 1.89 1.91 2c2bB1 ILE 291 HG12 0.05 0.03 -0.17 -0.04 1.49 1.35 2c2bB1 ILE 291 HG13 0.12 -0.01 -0.23 -0.04 1.21 1.04 2c2bB1 ILE 291 HG23 0.01 0.01 -0.13 -0.04 0.93 0.78 2c2bB1 ILE 291 HD13 -0.01 0.01 -0.17 -0.04 0.88 0.68 2c2bB1 VAL 292 H -0.03 0.75 0.40 -0.55 8.24 8.81 2c2bB1 VAL 292 HA -0.19 0.15 0.97 -0.75 4.13 4.31 2c2bB1 VAL 292 HB -0.08 -0.02 0.08 -0.04 2.12 2.07 2c2bB1 VAL 292 HG13 -0.19 0.03 -0.13 -0.04 0.97 0.65 2c2bB1 VAL 292 HG23 -0.48 0.03 -0.21 -0.04 0.95 0.25 2c2bB1 PRO 293 HA 0.00 0.21 0.69 -0.51 4.44 4.84 2c2bB1 PRO 293 HB2 -0.02 -0.14 0.04 -0.04 2.28 2.12 2c2bB1 PRO 293 HB3 0.04 0.03 0.11 -0.04 2.02 2.17 2c2bB1 PRO 293 HG2 -0.04 -0.15 0.03 -0.04 2.03 1.83 2c2bB1 PRO 293 HG3 -0.02 0.16 0.02 -0.04 2.03 2.15 2c2bB1 PRO 293 HD2 -0.16 -0.00 0.25 -0.04 3.68 3.72 2c2bB1 PRO 293 HD3 -0.10 0.38 0.31 -0.04 3.65 4.20 2c2bB1 GLY 294 H 0.04 0.84 0.31 -0.55 8.43 9.06 2c2bB1 GLY 294 HA2 0.05 -0.06 0.91 -0.51 4.01 4.40 2c2bB1 GLY 294 HA3 0.06 0.10 0.25 -0.51 4.01 3.91 2c2bB1 GLY 295 H 0.06 -0.03 0.11 -0.55 8.43 8.03 2c2bB1 GLY 295 HA2 0.06 0.25 0.90 -0.51 4.01 4.71 2c2bB1 GLY 295 HA3 0.07 -0.00 0.38 -0.51 4.01 3.95 2c2bB1 ASN 296 H 0.08 0.02 0.19 -0.55 8.53 8.27 2c2bB1 ASN 296 HA 0.06 0.20 0.55 -0.75 4.76 4.82 2c2bB1 ASN 296 HB2 0.09 0.03 0.07 -0.04 2.88 3.03 2c2bB1 ASN 296 HB3 0.08 0.05 0.16 -0.04 2.79 3.04 2c2bB1 ASN 296 HD21 0.24 0.08 0.08 -0.04 7.03 7.38 2c2bB1 ASN 296 HD22 0.14 0.05 0.08 -0.04 7.74 7.97 2c2bB1 LEU 297 H 0.08 -0.08 -0.09 -0.55 8.37 7.74 2c2bB1 LEU 297 HA 0.09 -0.04 0.25 -0.75 4.35 3.90 2c2bB1 LEU 297 HB2 0.04 0.37 0.12 -0.04 1.64 2.13 2c2bB1 LEU 297 HB3 0.06 0.04 0.09 -0.04 1.64 1.79 2c2bB1 LEU 297 HG 0.06 0.16 -0.51 -0.04 1.64 1.32 2c2bB1 LEU 297 HD13 0.07 0.03 -0.10 -0.04 0.93 0.89 2c2bB1 LEU 297 HD23 0.09 -0.06 -0.17 -0.04 0.89 0.71 2c2bB1 GLY 298 H 0.09 0.07 -0.62 -0.55 8.43 7.43 2c2bB1 GLY 298 HA2 0.10 0.19 0.54 -0.51 4.01 4.33 2c2bB1 GLY 298 HA3 0.11 0.12 0.24 -0.51 4.01 3.97 2c2bB1 ASN 299 H 0.17 -0.05 -0.13 -0.55 8.53 7.97 2c2bB1 ASN 299 HA 0.26 0.12 0.33 -0.75 4.76 4.71 2c2bB1 ASN 299 HB2 0.11 0.01 0.11 -0.04 2.88 3.07 2c2bB1 ASN 299 HB3 0.12 0.11 -0.01 -0.04 2.79 2.96 2c2bB1 ASN 299 HD21 0.43 0.01 -0.01 -0.04 7.03 7.42 2c2bB1 ASN 299 HD22 0.31 0.02 -0.11 -0.04 7.74 7.92 2c2bB1 ILE 300 H 0.15 0.04 -0.16 -0.55 8.25 7.73 2c2bB1 ILE 300 HA 0.18 0.10 0.36 -0.75 4.18 4.06 2c2bB1 ILE 300 HB 0.09 -0.02 0.02 -0.04 1.89 1.93 2c2bB1 ILE 300 HG12 0.11 0.05 -0.12 -0.04 1.49 1.48 2c2bB1 ILE 300 HG13 0.16 0.03 -0.07 -0.04 1.21 1.28 2c2bB1 ILE 300 HG23 0.13 -0.00 -0.06 -0.04 0.93 0.96 2c2bB1 ILE 300 HD13 0.07 0.00 -0.13 -0.04 0.88 0.77 2c2bB1 TYR 301 H 0.28 0.13 -0.53 -0.55 8.29 7.62 2c2bB1 TYR 301 HA 0.20 0.11 0.47 -0.75 4.56 4.58 2c2bB1 TYR 301 HB2 0.06 0.03 -0.05 -0.04 3.06 3.05 2c2bB1 TYR 301 HB3 0.07 0.11 0.08 -0.04 2.98 3.21 2c2bB1 TYR 301 HD2 0.11 0.01 -0.00 -0.04 7.15 7.23 2c2bB1 TYR 301 HE2 0.33 0.01 -0.01 -0.04 6.85 7.14 2c2bB1 ALA 302 H 0.21 0.38 -0.07 -0.55 8.40 8.37 2c2bB1 ALA 302 HA -0.09 0.08 0.46 -0.75 4.34 4.03 2c2bB1 ALA 302 HB3 0.01 0.01 0.04 -0.04 1.41 1.43 2c2bB1 PHE 303 H 0.30 0.51 -0.12 -0.55 8.34 8.47 2c2bB1 PHE 303 HA -0.22 -0.02 0.46 -0.75 4.62 4.09 2c2bB1 PHE 303 HB2 0.09 0.06 0.10 -0.04 3.15 3.35 2c2bB1 PHE 303 HB3 0.17 0.07 -0.05 -0.04 3.06 3.20 2c2bB1 PHE 303 HD2 -0.06 0.15 -0.07 -0.04 7.28 7.26 2c2bB1 PHE 303 HE2 -0.13 -0.02 -0.14 -0.04 7.38 7.04 2c2bB1 PHE 303 HZ -0.12 -0.04 -0.07 -0.04 7.32 7.05 2c2bB1 TYR 304 H 0.31 0.48 -0.16 -0.55 8.29 8.37 2c2bB1 TYR 304 HA 0.25 0.07 0.43 -0.75 4.56 4.55 2c2bB1 TYR 304 HB2 0.12 0.02 0.09 -0.04 3.06 3.25 2c2bB1 TYR 304 HB3 0.03 0.03 0.21 -0.04 2.98 3.21 2c2bB1 TYR 304 HD2 -0.02 0.03 -0.03 -0.04 7.15 7.09 2c2bB1 TYR 304 HE2 0.09 0.03 -0.11 -0.04 6.85 6.82 2c2bB1 LYS 305 H -0.13 0.61 -0.17 -0.55 8.42 8.17 2c2bB1 LYS 305 HA -0.34 0.00 0.37 -0.75 4.32 3.60 2c2bB1 LYS 305 HB2 -0.44 0.16 0.19 -0.04 1.87 1.74 2c2bB1 LYS 305 HB3 -0.21 0.05 0.09 -0.04 1.79 1.68 2c2bB1 LYS 305 HG2 -0.12 0.02 0.03 -0.04 1.46 1.34 2c2bB1 LYS 305 HG3 -0.17 -0.02 0.06 -0.04 1.46 1.28 2c2bB1 LYS 305 HD2 -0.36 -0.05 -0.03 -0.04 1.69 1.21 2c2bB1 LYS 305 HD3 -0.08 -0.03 -0.02 -0.04 1.68 1.51 2c2bB1 LYS 305 HE2 0.11 -0.00 0.01 -0.04 2.99 3.07 2c2bB1 LYS 305 HE3 0.20 -0.12 0.02 -0.04 2.99 3.05 2c2bB1 GLY 306 H -0.23 0.42 -0.20 -0.55 8.43 7.87 2c2bB1 GLY 306 HA2 -0.14 0.04 0.44 -0.51 4.01 3.85 2c2bB1 GLY 306 HA3 -0.31 0.11 0.40 -0.51 4.01 3.70 2c2bB1 PHE 307 H -0.21 0.57 0.02 -0.55 8.34 8.17 2c2bB1 PHE 307 HA 0.03 0.03 0.41 -0.75 4.62 4.34 2c2bB1 PHE 307 HB2 -0.06 0.09 0.16 -0.04 3.15 3.30 2c2bB1 PHE 307 HB3 -0.01 0.01 0.05 -0.04 3.06 3.06 2c2bB1 PHE 307 HD2 0.09 0.01 -0.11 -0.04 7.28 7.22 2c2bB1 PHE 307 HE2 0.15 -0.02 -0.06 -0.04 7.38 7.40 2c2bB1 PHE 307 HZ 0.18 -0.05 -0.03 -0.04 7.32 7.37 2c2bB1 LYS 308 H -0.20 0.58 -0.18 -0.55 8.42 8.06 2c2bB1 LYS 308 HA -0.11 0.05 0.35 -0.75 4.32 3.85 2c2bB1 LYS 308 HB2 -0.83 0.12 0.08 -0.04 1.87 1.20 2c2bB1 LYS 308 HB3 -0.39 0.04 0.05 -0.04 1.79 1.45 2c2bB1 LYS 308 HG2 -0.16 -0.03 -0.05 -0.04 1.46 1.18 2c2bB1 LYS 308 HG3 -0.12 -0.05 -0.07 -0.04 1.46 1.18 2c2bB1 LYS 308 HD2 -0.09 -0.01 -0.02 -0.04 1.69 1.53 2c2bB1 LYS 308 HD3 -0.05 0.02 -0.05 -0.04 1.68 1.56 2c2bB1 LYS 308 HE2 -0.02 -0.03 -0.03 -0.04 2.99 2.87 2c2bB1 LYS 308 HE3 0.02 0.05 -0.04 -0.04 2.99 2.98 2c2bB1 MET 309 H -0.16 0.45 -0.22 -0.55 8.47 8.00 2c2bB1 MET 309 HA -0.28 -0.00 0.38 -0.75 4.52 3.87 2c2bB1 MET 309 HB2 -0.22 0.23 0.21 -0.04 2.15 2.34 2c2bB1 MET 309 HB3 -0.13 0.05 0.07 -0.04 2.03 1.98 2c2bB1 MET 309 HG2 -1.30 -0.02 -0.06 -0.04 2.63 1.22 2c2bB1 MET 309 HG3 -0.54 -0.05 0.05 -0.04 2.56 1.97 2c2bB1 MET 309 HE3 -0.99 0.00 0.00 -0.04 2.10 1.08 2c2bB1 CYS 310 H 0.08 0.40 -0.30 -0.55 8.50 8.14 2c2bB1 CYS 310 HA 0.30 0.02 0.42 -0.75 4.58 4.57 2c2bB1 CYS 310 HB2 0.24 0.21 0.09 -0.04 2.97 3.47 2c2bB1 CYS 310 HB3 0.30 -0.07 -0.03 -0.04 2.97 3.12 2c2bB1 GLN 311 H 0.03 0.41 -0.25 -0.55 8.47 8.12 2c2bB1 GLN 311 HA 0.04 0.16 0.40 -0.75 4.36 4.20 2c2bB1 GLN 311 HB2 0.02 0.10 -0.14 -0.04 2.15 2.09 2c2bB1 GLN 311 HB3 -0.02 0.07 0.06 -0.04 2.02 2.09 2c2bB1 GLN 311 HG2 0.00 0.02 -0.19 -0.04 2.40 2.19 2c2bB1 GLN 311 HG3 0.00 -0.08 -0.48 -0.04 2.39 1.79 2c2bB1 GLN 311 HE21 -0.00 -0.02 -0.05 -0.04 6.97 6.86 2c2bB1 GLN 311 HE22 -0.01 -0.03 -0.08 -0.04 7.69 7.53 2c2bB1 GLU 312 H -0.07 0.63 -0.06 -0.55 8.60 8.55 2c2bB1 GLU 312 HA -0.04 0.04 0.37 -0.75 4.29 3.90 2c2bB1 GLU 312 HB2 -0.15 0.07 0.08 -0.04 2.09 2.05 2c2bB1 GLU 312 HB3 -0.09 -0.07 0.05 -0.04 1.99 1.84 2c2bB1 GLU 312 HG2 -0.04 -0.03 0.01 -0.04 2.34 2.24 2c2bB1 GLU 312 HG3 -0.07 0.12 0.03 -0.04 2.34 2.38 2c2bB1 LEU 313 H -0.08 0.24 -0.55 -0.55 8.37 7.43 2c2bB1 LEU 313 HA -0.03 0.17 0.83 -0.75 4.35 4.57 2c2bB1 LEU 313 HB2 -0.23 0.09 0.08 -0.04 1.64 1.53 2c2bB1 LEU 313 HB3 -0.03 -0.00 0.10 -0.04 1.64 1.66 2c2bB1 LEU 313 HG -0.42 -0.02 -0.16 -0.04 1.64 1.00 2c2bB1 LEU 313 HD13 -1.44 -0.02 -0.07 -0.04 0.93 -0.65 2c2bB1 LEU 313 HD23 -0.11 0.03 -0.14 -0.04 0.89 0.62 2c2bB1 GLY 314 H 0.02 0.40 -0.26 -0.55 8.43 8.05 2c2bB1 GLY 314 HA2 0.02 0.12 0.30 -0.51 4.01 3.95 2c2bB1 GLY 314 HA3 0.05 -0.07 0.42 -0.51 4.01 3.90 2c2bB1 LEU 315 H 0.07 0.33 -0.10 -0.55 8.37 8.13 2c2bB1 LEU 315 HA -0.13 0.04 0.45 -0.75 4.35 3.95 2c2bB1 LEU 315 HB2 0.12 0.05 0.13 -0.04 1.64 1.89 2c2bB1 LEU 315 HB3 -0.22 -0.05 -0.02 -0.04 1.64 1.32 2c2bB1 LEU 315 HG 0.36 -0.06 0.02 -0.04 1.64 1.92 2c2bB1 LEU 315 HD13 -0.59 -0.01 -0.08 -0.04 0.93 0.20 2c2bB1 LEU 315 HD23 0.27 -0.01 -0.08 -0.04 0.89 1.04 2c2bB1 VAL 316 H 0.07 0.31 -0.09 -0.55 8.24 7.98 2c2bB1 VAL 316 HA 0.07 0.21 0.70 -0.75 4.13 4.36 2c2bB1 VAL 316 HB 0.09 -0.14 0.08 -0.04 2.12 2.11 2c2bB1 VAL 316 HG13 0.26 0.04 -0.23 -0.04 0.97 1.00 2c2bB1 VAL 316 HG23 0.15 -0.02 -0.22 -0.04 0.95 0.82 2c2bB1 ASP 317 H 0.03 0.14 0.13 -0.55 8.40 8.15 2c2bB1 ASP 317 HA 0.01 0.24 0.81 -0.75 4.63 4.93 2c2bB1 ASP 317 HB2 -0.00 -0.01 0.14 -0.04 2.71 2.81 2c2bB1 ASP 317 HB3 0.01 0.01 0.03 -0.04 2.70 2.70 2c2bB1 ARG 318 H 0.01 0.13 -0.06 -0.55 8.46 7.99 2c2bB1 ARG 318 HA -0.02 0.14 0.62 -0.75 4.34 4.33 2c2bB1 ARG 318 HB2 -0.06 0.05 0.12 -0.04 1.90 1.97 2c2bB1 ARG 318 HB3 -0.04 0.04 -0.27 -0.04 1.80 1.49 2c2bB1 ARG 318 HG2 -0.04 -0.16 -0.11 -0.04 1.67 1.32 2c2bB1 ARG 318 HG3 -0.09 0.12 -0.34 -0.04 1.67 1.33 2c2bB1 ARG 318 HD2 -0.08 0.03 -0.09 -0.04 3.22 3.03 2c2bB1 ARG 318 HD3 -0.08 0.05 -0.07 -0.04 3.22 3.08 2c2bB1 ILE 319 H -0.06 0.22 0.13 -0.55 8.25 7.99 2c2bB1 ILE 319 HA -0.09 0.15 0.75 -0.75 4.18 4.23 2c2bB1 ILE 319 HB -0.03 0.05 0.02 -0.04 1.89 1.89 2c2bB1 ILE 319 HG12 -0.01 -0.08 0.01 -0.04 1.49 1.37 2c2bB1 ILE 319 HG13 -0.04 0.12 -0.14 -0.04 1.21 1.10 2c2bB1 ILE 319 HG23 0.01 -0.02 -0.34 -0.04 0.93 0.53 2c2bB1 ILE 319 HD13 0.13 0.01 -0.07 -0.04 0.88 0.91 2c2bB1 PRO 320 HA -0.32 0.23 0.55 -0.51 4.44 4.40 2c2bB1 PRO 320 HB2 -0.35 -0.07 -0.31 -0.04 2.28 1.51 2c2bB1 PRO 320 HB3 -0.34 0.15 -0.32 -0.04 2.02 1.46 2c2bB1 PRO 320 HG2 -1.76 -0.09 -0.07 -0.04 2.03 0.07 2c2bB1 PRO 320 HG3 -0.76 0.07 -0.05 -0.04 2.03 1.25 2c2bB1 PRO 320 HD2 -0.68 0.02 0.10 -0.04 3.68 3.08 2c2bB1 PRO 320 HD3 -0.65 0.09 0.15 -0.04 3.65 3.20 2c2bB1 ARG 321 H -0.51 0.46 0.27 -0.55 8.46 8.12 2c2bB1 ARG 321 HA -0.22 0.30 0.75 -0.75 4.34 4.41 2c2bB1 ARG 321 HB2 -1.73 0.03 0.23 -0.04 1.90 0.39 2c2bB1 ARG 321 HB3 -0.73 0.01 0.07 -0.04 1.80 1.10 2c2bB1 ARG 321 HG2 -0.34 0.16 0.13 -0.04 1.67 1.58 2c2bB1 ARG 321 HG3 -0.59 -0.02 0.16 -0.04 1.67 1.18 2c2bB1 ARG 321 HD2 -0.34 -0.07 0.07 -0.04 3.22 2.84 2c2bB1 ARG 321 HD3 -1.10 -0.08 0.06 -0.04 3.22 2.06 2c2bB1 MET 322 H 0.03 0.22 0.06 -0.55 8.47 8.23 2c2bB1 MET 322 HA 0.16 0.18 1.10 -0.75 4.52 5.22 2c2bB1 MET 322 HB2 0.10 0.03 0.02 -0.04 2.15 2.26 2c2bB1 MET 322 HB3 0.11 -0.11 -0.08 -0.04 2.03 1.91 2c2bB1 MET 322 HG2 0.12 0.07 0.02 -0.04 2.63 2.80 2c2bB1 MET 322 HG3 0.05 0.09 -0.35 -0.04 2.56 2.32 2c2bB1 MET 322 HE3 0.31 0.06 -0.06 -0.04 2.10 2.37 2c2bB1 VAL 323 H 0.16 0.55 0.28 -0.55 8.24 8.69 2c2bB1 VAL 323 HA 0.10 0.34 1.07 -0.75 4.13 4.89 2c2bB1 VAL 323 HB 0.07 -0.11 0.05 -0.04 2.12 2.08 2c2bB1 VAL 323 HG13 -0.01 -0.02 -0.31 -0.04 0.97 0.60 2c2bB1 VAL 323 HG23 0.11 0.03 -0.23 -0.04 0.95 0.81 2c2bB1 CYS 324 H 0.04 0.64 0.31 -0.55 8.50 8.94 2c2bB1 CYS 324 HA 0.04 0.22 0.95 -0.75 4.58 5.04 2c2bB1 CYS 324 HB2 0.09 0.02 0.02 -0.04 2.97 3.06 2c2bB1 CYS 324 HB3 0.09 -0.00 0.15 -0.04 2.97 3.17 2c2bB1 ALA 325 H 0.02 0.62 0.27 -0.55 8.40 8.77 2c2bB1 ALA 325 HA 0.02 0.27 0.91 -0.75 4.34 4.79 2c2bB1 ALA 325 HB3 0.00 0.01 -0.18 -0.04 1.41 1.19 2c2bB1 GLN 326 H 0.02 0.86 0.39 -0.55 8.47 9.19 2c2bB1 GLN 326 HA 0.03 0.10 1.06 -0.75 4.36 4.79 2c2bB1 GLN 326 HB2 0.05 0.02 0.04 -0.04 2.15 2.22 2c2bB1 GLN 326 HB3 0.04 0.05 0.10 -0.04 2.02 2.17 2c2bB1 GLN 326 HG2 0.07 0.15 -0.05 -0.04 2.40 2.52 2c2bB1 GLN 326 HG3 0.10 -0.02 -0.17 -0.04 2.39 2.26 2c2bB1 GLN 326 HE21 0.08 -0.06 -0.05 -0.04 6.97 6.89 2c2bB1 GLN 326 HE22 0.07 0.35 -0.04 -0.04 7.69 8.04 2c2bB1 ALA 327 H 0.01 0.10 0.22 -0.55 8.40 8.19 2c2bB1 ALA 327 HA -0.04 0.21 0.78 -0.75 4.34 4.54 2c2bB1 ALA 327 HB3 -0.01 -0.01 0.17 -0.04 1.41 1.51 2c2bB1 ALA 328 H -0.06 0.61 0.34 -0.55 8.40 8.75 2c2bB1 ALA 328 HA -0.10 0.12 0.44 -0.75 4.34 4.05 2c2bB1 ALA 328 HB3 -0.06 -0.02 0.03 -0.04 1.41 1.31 2c2bB1 ASN 329 H -0.02 -0.06 -0.13 -0.55 8.53 7.77 2c2bB1 ASN 329 HA -0.01 0.17 0.56 -0.75 4.76 4.73 2c2bB1 ASN 329 HB2 -0.01 -0.08 0.03 -0.04 2.88 2.78 2c2bB1 ASN 329 HB3 -0.01 0.06 0.08 -0.04 2.79 2.88 2c2bB1 ASN 329 HD21 -0.02 -0.00 0.06 -0.04 7.03 7.03 2c2bB1 ASN 329 HD22 -0.02 -0.01 0.05 -0.04 7.74 7.72 2c2bB1 ALA 330 H -0.00 0.12 -0.46 -0.55 8.40 7.52 2c2bB1 ALA 330 HA 0.02 0.05 0.40 -0.75 4.34 4.05 2c2bB1 ALA 330 HB3 0.03 -0.01 0.19 -0.04 1.41 1.58 2c2bB1 ASN 331 H 0.04 0.02 0.16 -0.55 8.53 8.21 2c2bB1 ASN 331 HA 0.04 0.16 0.24 -0.75 4.76 4.45 2c2bB1 ASN 331 HB2 0.04 0.08 0.09 -0.04 2.88 3.06 2c2bB1 ASN 331 HB3 0.03 0.01 0.13 -0.04 2.79 2.93 2c2bB1 ASN 331 HD21 0.06 0.03 -0.09 -0.04 7.03 6.99 2c2bB1 ASN 331 HD22 0.05 0.06 -0.10 -0.04 7.74 7.70 2c2bB1 PRO 332 HA 0.12 0.10 0.38 -0.51 4.44 4.53 2c2bB1 PRO 332 HB2 0.07 0.04 0.19 -0.04 2.28 2.53 2c2bB1 PRO 332 HB3 0.06 0.09 0.08 -0.04 2.02 2.21 2c2bB1 PRO 332 HG2 0.04 0.06 0.01 -0.04 2.03 2.10 2c2bB1 PRO 332 HG3 0.03 0.08 0.07 -0.04 2.03 2.17 2c2bB1 PRO 332 HD2 0.05 0.10 -0.03 -0.04 3.68 3.75 2c2bB1 PRO 332 HD3 0.04 0.13 0.17 -0.04 3.65 3.94 2c2bB1 LEU 333 H 0.13 0.32 -0.46 -0.55 8.37 7.81 2c2bB1 LEU 333 HA 0.24 0.14 0.61 -0.75 4.35 4.60 2c2bB1 LEU 333 HB2 0.16 0.02 -0.02 -0.04 1.64 1.76 2c2bB1 LEU 333 HB3 0.17 0.01 0.01 -0.04 1.64 1.78 2c2bB1 LEU 333 HG 0.27 0.01 -0.24 -0.04 1.64 1.63 2c2bB1 LEU 333 HD13 0.36 0.01 -0.02 -0.04 0.93 1.23 2c2bB1 LEU 333 HD23 0.16 0.01 -0.10 -0.04 0.89 0.91 2c2bB1 TYR 334 H 0.25 0.25 -0.01 -0.55 8.29 8.22 2c2bB1 TYR 334 HA 0.09 0.10 0.36 -0.75 4.56 4.36 2c2bB1 TYR 334 HB2 0.05 0.02 -0.08 -0.04 3.06 3.01 2c2bB1 TYR 334 HB3 0.05 0.05 0.03 -0.04 2.98 3.07 2c2bB1 TYR 334 HD2 0.04 0.00 -0.30 -0.04 7.15 6.85 2c2bB1 TYR 334 HE2 0.03 0.07 0.02 -0.04 6.85 6.93 2c2bB1 LEU 335 H 0.18 0.09 -0.27 -0.55 8.37 7.82 2c2bB1 LEU 335 HA -0.13 0.11 0.37 -0.75 4.35 3.94 2c2bB1 LEU 335 HB2 0.09 0.02 0.04 -0.04 1.64 1.74 2c2bB1 LEU 335 HB3 0.03 0.05 -0.01 -0.04 1.64 1.67 2c2bB1 LEU 335 HG 0.12 0.02 -0.01 -0.04 1.64 1.73 2c2bB1 LEU 335 HD13 0.20 -0.03 -0.02 -0.04 0.93 1.04 2c2bB1 LEU 335 HD23 0.06 0.02 -0.01 -0.04 0.89 0.91 2c2bB1 HIS 336 H 0.14 0.23 -0.57 -0.55 8.41 7.67 2c2bB1 HIS 336 HA -0.04 -0.08 0.54 -0.75 4.63 4.29 2c2bB1 HIS 336 HB2 0.10 0.20 0.14 -0.04 3.26 3.67 2c2bB1 HIS 336 HB3 0.18 0.11 0.14 -0.04 3.20 3.58 2c2bB1 HIS 336 HD2 0.58 -0.00 -0.07 -0.04 6.97 7.44 2c2bB1 HIS 336 HE1 0.20 0.15 -0.56 -0.04 7.75 7.51 2c2bB1 TYR 337 H -0.15 0.48 -0.07 -0.55 8.29 8.01 2c2bB1 TYR 337 HA -1.96 0.03 0.58 -0.75 4.56 2.45 2c2bB1 TYR 337 HB2 -0.71 -0.02 0.09 -0.04 3.06 2.37 2c2bB1 TYR 337 HB3 -0.39 0.09 0.21 -0.04 2.98 2.84 2c2bB1 TYR 337 HD2 -0.57 0.04 0.05 -0.04 7.15 6.63 2c2bB1 TYR 337 HE2 -0.04 0.12 0.06 -0.04 6.85 6.95 2c2bB1 LYS 338 H -0.43 0.47 -0.10 -0.55 8.42 7.80 2c2bB1 LYS 338 HA -0.63 0.11 0.49 -0.75 4.32 3.54 2c2bB1 LYS 338 HB2 -0.37 0.01 0.09 -0.04 1.87 1.56 2c2bB1 LYS 338 HB3 -0.30 -0.00 0.08 -0.04 1.79 1.53 2c2bB1 LYS 338 HG2 -0.70 0.06 0.07 -0.04 1.46 0.84 2c2bB1 LYS 338 HG3 -0.79 -0.08 -0.01 -0.04 1.46 0.54 2c2bB1 LYS 338 HD2 -0.21 -0.01 0.04 -0.04 1.69 1.47 2c2bB1 LYS 338 HD3 -0.36 0.04 0.05 -0.04 1.68 1.37 2c2bB1 LYS 338 HE2 -0.04 0.06 0.05 -0.04 2.99 3.02 2c2bB1 LYS 338 HE3 -0.03 -0.07 0.02 -0.04 2.99 2.87 2c2bB1 SER 339 H -0.37 0.11 -0.70 -0.55 8.46 6.96 2c2bB1 SER 339 HA -0.18 0.16 0.65 -0.75 4.49 4.37 2c2bB1 SER 339 HB2 -0.08 0.20 0.15 -0.04 3.95 4.18 2c2bB1 SER 339 HB3 -0.10 -0.15 0.15 -0.04 3.93 3.79 2c2bB1 GLY 340 H -0.60 0.38 -0.40 -0.55 8.43 7.26 2c2bB1 GLY 340 HA2 -0.49 0.10 0.30 -0.51 4.01 3.41 2c2bB1 GLY 340 HA3 -0.21 0.09 0.48 -0.51 4.01 3.85 2c2bB1 TRP 341 H -0.77 0.29 0.09 -0.55 7.97 7.03 2c2bB1 TRP 341 HA -0.83 -0.04 0.24 -0.75 4.62 3.23 2c2bB1 TRP 341 HB2 -0.07 0.18 0.06 -0.04 3.23 3.36 2c2bB1 TRP 341 HB3 -0.07 -0.05 0.13 -0.04 3.23 3.19 2c2bB1 TRP 341 HD1 -0.02 0.07 -0.12 -0.04 7.22 7.12 2c2bB1 TRP 341 HE1 0.11 0.10 -0.04 -0.04 10.20 10.33 2c2bB1 TRP 341 HE3 -0.56 -0.01 -0.10 -0.04 7.59 6.88 2c2bB1 TRP 341 HZ2 0.12 0.10 -0.15 -0.04 7.44 7.47 2c2bB1 TRP 341 HZ3 0.19 -0.06 -0.07 -0.04 7.13 7.14 2c2bB1 TRP 341 HH2 0.07 -0.06 -0.11 -0.04 7.19 7.05 2c2bB1 LYS 342 H -0.01 -0.11 -0.20 -0.55 8.42 7.54 2c2bB1 LYS 342 HA 0.18 0.22 0.86 -0.75 4.32 4.82 2c2bB1 LYS 342 HB2 0.03 0.04 -0.03 -0.04 1.87 1.87 2c2bB1 LYS 342 HB3 0.06 -0.05 -0.03 -0.04 1.79 1.73 2c2bB1 LYS 342 HG2 0.08 0.04 -0.09 -0.04 1.46 1.45 2c2bB1 LYS 342 HG3 0.03 0.22 -0.34 -0.04 1.46 1.33 2c2bB1 LYS 342 HD2 0.03 -0.08 -0.01 -0.04 1.69 1.59 2c2bB1 LYS 342 HD3 0.02 -0.00 -0.01 -0.04 1.68 1.64 2c2bB1 LYS 342 HE2 -0.00 -0.05 -0.01 -0.04 2.99 2.89 2c2bB1 LYS 342 HE3 -0.00 -0.08 -0.00 -0.04 2.99 2.87 2c2bB1 ASP 343 H 0.20 -0.02 0.02 -0.55 8.40 8.05 2c2bB1 ASP 343 HA 0.12 0.22 0.62 -0.75 4.63 4.84 2c2bB1 ASP 343 HB2 0.06 0.08 -0.23 -0.04 2.71 2.57 2c2bB1 ASP 343 HB3 0.05 0.04 0.01 -0.04 2.70 2.76 2c2bB1 VAL 363 HA -0.01 -0.07 0.25 -0.75 4.13 3.55 2c2bB1 VAL 363 HB 0.00 -0.00 -0.05 -0.04 2.12 2.03 2c2bB1 VAL 363 HG13 0.01 -0.00 0.05 -0.04 0.97 0.98 2c2bB1 VAL 363 HG23 0.03 0.02 0.06 -0.04 0.95 1.01 2c2bB1 SER 364 H -0.05 0.13 0.11 -0.55 8.46 8.10 2c2bB1 SER 364 HA -0.14 -0.04 0.33 -0.75 4.49 3.88 2c2bB1 SER 364 HB2 -0.01 0.27 -0.29 -0.04 3.95 3.88 2c2bB1 SER 364 HB3 -0.06 -0.02 -0.04 -0.04 3.93 3.77 2c2bB1 ILE 365 H -0.02 0.12 -0.43 -0.55 8.25 7.38 2c2bB1 ILE 365 HA 0.04 0.13 0.42 -0.75 4.18 4.01 2c2bB1 ILE 365 HB 0.01 -0.01 0.04 -0.04 1.89 1.90 2c2bB1 ILE 365 HG12 0.02 0.04 0.43 -0.04 1.49 1.94 2c2bB1 ILE 365 HG13 0.01 0.21 -0.10 -0.04 1.21 1.29 2c2bB1 ILE 365 HG23 0.06 0.01 0.22 -0.04 0.93 1.17 2c2bB1 ILE 365 HD13 -0.00 -0.01 -0.03 -0.04 0.88 0.80 2c2bB1 ASP 366 H -0.00 0.11 -0.00 -0.55 8.40 7.96 2c2bB1 ASP 366 HA 0.07 0.13 0.43 -0.75 4.63 4.51 2c2bB1 ASP 366 HB2 0.06 -0.04 0.04 -0.04 2.71 2.73 2c2bB1 ASP 366 HB3 0.14 0.10 0.01 -0.04 2.70 2.91 2c2bB1 ARG 367 H -0.18 -0.04 -0.39 -0.55 8.46 7.30 2c2bB1 ARG 367 HA -0.80 0.11 0.38 -0.75 4.34 3.28 2c2bB1 ARG 367 HB2 -0.63 -0.09 0.07 -0.04 1.90 1.21 2c2bB1 ARG 367 HB3 -0.34 0.18 0.04 -0.04 1.80 1.64 2c2bB1 ARG 367 HG2 -0.66 0.00 -0.00 -0.04 1.67 0.96 2c2bB1 ARG 367 HG3 -1.63 0.02 -0.01 -0.04 1.67 0.00 2c2bB1 ARG 367 HD2 -1.90 0.06 0.01 -0.04 3.22 1.34 2c2bB1 ARG 367 HD3 -2.05 -0.04 0.02 -0.04 3.22 1.11 2c2bB1 ALA 368 H -0.05 0.40 -0.29 -0.55 8.40 7.91 2c2bB1 ALA 368 HA 0.08 0.03 0.52 -0.75 4.34 4.22 2c2bB1 ALA 368 HB3 0.08 0.04 0.12 -0.04 1.41 1.60 2c2bB1 VAL 369 H 0.03 0.50 -0.01 -0.55 8.24 8.21 2c2bB1 VAL 369 HA -0.32 0.02 0.39 -0.75 4.13 3.46 2c2bB1 VAL 369 HB 0.04 0.02 0.14 -0.04 2.12 2.28 2c2bB1 VAL 369 HG13 -0.31 0.01 -0.11 -0.04 0.97 0.52 2c2bB1 VAL 369 HG23 0.33 0.05 0.00 -0.04 0.95 1.29 2c2bB1 TYR 370 H 0.12 0.55 -0.19 -0.55 8.29 8.23 2c2bB1 TYR 370 HA -0.14 0.06 0.45 -0.75 4.56 4.17 2c2bB1 TYR 370 HB2 0.12 -0.02 0.07 -0.04 3.06 3.19 2c2bB1 TYR 370 HB3 0.25 0.09 0.10 -0.04 2.98 3.39 2c2bB1 TYR 370 HD2 0.19 0.01 -0.06 -0.04 7.15 7.25 2c2bB1 TYR 370 HE2 0.20 0.01 -0.06 -0.04 6.85 6.97 2c2bB1 ALA 371 H 0.06 0.28 -0.27 -0.55 8.40 7.92 2c2bB1 ALA 371 HA -1.02 0.07 0.36 -0.75 4.34 3.00 2c2bB1 ALA 371 HB3 0.07 0.02 0.08 -0.04 1.41 1.53 2c2bB1 LEU 372 H -0.21 0.47 -0.20 -0.55 8.37 7.88 2c2bB1 LEU 372 HA -0.07 0.06 0.45 -0.75 4.35 4.03 2c2bB1 LEU 372 HB2 -0.27 0.06 0.08 -0.04 1.64 1.48 2c2bB1 LEU 372 HB3 0.11 -0.00 -0.11 -0.04 1.64 1.60 2c2bB1 LEU 372 HG 0.03 0.02 -0.06 -0.04 1.64 1.60 2c2bB1 LEU 372 HD13 0.24 -0.04 -0.18 -0.04 0.93 0.92 2c2bB1 LEU 372 HD23 0.09 -0.02 -0.12 -0.04 0.89 0.80 2c2bB1 LYS 373 H -0.50 0.54 -0.09 -0.55 8.42 7.82 2c2bB1 LYS 373 HA -0.23 0.05 0.51 -0.75 4.32 3.89 2c2bB1 LYS 373 HB2 -0.42 0.08 0.18 -0.04 1.87 1.67 2c2bB1 LYS 373 HB3 -0.29 -0.01 0.02 -0.04 1.79 1.48 2c2bB1 LYS 373 HG2 -1.12 -0.01 0.04 -0.04 1.46 0.33 2c2bB1 LYS 373 HG3 -1.49 0.05 0.09 -0.04 1.46 0.06 2c2bB1 LYS 373 HD2 -0.58 -0.06 -0.02 -0.04 1.69 0.98 2c2bB1 LYS 373 HD3 -0.32 -0.03 -0.03 -0.04 1.68 1.25 2c2bB1 LYS 373 HE2 -0.15 0.01 0.00 -0.04 2.99 2.81 2c2bB1 LYS 373 HE3 -0.10 0.03 0.01 -0.04 2.99 2.88 2c2bB1 LYS 374 H -0.44 0.40 -0.20 -0.55 8.42 7.63 2c2bB1 LYS 374 HA -0.17 0.05 0.41 -0.75 4.32 3.86 2c2bB1 LYS 374 HB2 -0.73 0.08 0.13 -0.04 1.87 1.32 2c2bB1 LYS 374 HB3 -0.13 -0.01 -0.04 -0.04 1.79 1.56 2c2bB1 LYS 374 HG2 -0.46 -0.04 0.03 -0.04 1.46 0.95 2c2bB1 LYS 374 HG3 -0.97 -0.06 -0.02 -0.04 1.46 0.38 2c2bB1 LYS 374 HD2 0.01 0.01 0.00 -0.04 1.69 1.67 2c2bB1 LYS 374 HD3 -0.08 0.02 0.04 -0.04 1.68 1.62 2c2bB1 LYS 374 HE2 0.02 -0.02 -0.01 -0.04 2.99 2.94 2c2bB1 LYS 374 HE3 0.09 -0.04 -0.02 -0.04 2.99 2.98 2c2bB1 CYS 375 H -0.17 0.23 -0.30 -0.55 8.50 7.71 2c2bB1 CYS 375 HA 0.02 0.18 0.72 -0.75 4.58 4.74 2c2bB1 CYS 375 HB2 0.06 0.18 0.14 -0.04 2.97 3.31 2c2bB1 CYS 375 HB3 0.16 -0.04 0.06 -0.04 2.97 3.10 2c2bB1 ASN 376 H -0.04 0.22 -0.45 -0.55 8.53 7.71 2c2bB1 ASN 376 HA 0.07 0.03 0.36 -0.75 4.76 4.46 2c2bB1 ASN 376 HB2 -0.01 -0.01 -0.19 -0.04 2.88 2.63 2c2bB1 ASN 376 HB3 -0.03 0.07 0.28 -0.04 2.79 3.06 2c2bB1 ASN 376 HD21 0.07 -0.06 0.03 -0.04 7.03 7.03 2c2bB1 ASN 376 HD22 0.05 0.07 0.06 -0.04 7.74 7.88 2c2bB1 GLY 377 H 0.09 0.58 0.15 -0.55 8.43 8.70 2c2bB1 GLY 377 HA2 0.14 0.14 0.50 -0.51 4.01 4.27 2c2bB1 GLY 377 HA3 0.10 -0.10 0.36 -0.51 4.01 3.86 2c2bB1 ILE 378 H 0.09 0.55 0.40 -0.55 8.25 8.75 2c2bB1 ILE 378 HA -0.81 0.15 0.85 -0.75 4.18 3.62 2c2bB1 ILE 378 HB 0.03 -0.05 0.00 -0.04 1.89 1.83 2c2bB1 ILE 378 HG12 0.20 0.03 -0.08 -0.04 1.49 1.60 2c2bB1 ILE 378 HG13 0.23 0.05 -0.58 -0.04 1.21 0.86 2c2bB1 ILE 378 HG23 -0.09 -0.02 -0.13 -0.04 0.93 0.66 2c2bB1 ILE 378 HD13 0.24 0.00 -0.10 -0.04 0.88 0.97 2c2bB1 VAL 379 H -1.30 0.24 0.17 -0.55 8.24 6.80 2c2bB1 VAL 379 HA -0.03 0.30 1.09 -0.75 4.13 4.73 2c2bB1 VAL 379 HB 0.01 -0.01 0.09 -0.04 2.12 2.17 2c2bB1 VAL 379 HG13 0.19 -0.02 -0.15 -0.04 0.97 0.95 2c2bB1 VAL 379 HG23 0.08 0.00 -0.16 -0.04 0.95 0.83 2c2bB1 GLU 380 H 0.07 0.52 0.31 -0.55 8.60 8.96 2c2bB1 GLU 380 HA 0.32 0.17 0.85 -0.75 4.29 4.88 2c2bB1 GLU 380 HB2 0.03 -0.04 -0.00 -0.04 2.09 2.03 2c2bB1 GLU 380 HB3 0.03 0.08 0.01 -0.04 1.99 2.07 2c2bB1 GLU 380 HG2 0.07 0.04 -0.30 -0.04 2.34 2.11 2c2bB1 GLU 380 HG3 0.02 0.08 -0.04 -0.04 2.34 2.36 2c2bB1 GLU 381 H -0.28 0.17 0.15 -0.55 8.60 8.10 2c2bB1 GLU 381 HA -0.16 0.35 0.86 -0.75 4.29 4.58 2c2bB1 GLU 381 HB2 -0.79 0.02 0.06 -0.04 2.09 1.34 2c2bB1 GLU 381 HB3 -0.29 -0.08 -0.11 -0.04 1.99 1.46 2c2bB1 GLU 381 HG2 -0.23 0.10 -0.25 -0.04 2.34 1.92 2c2bB1 GLU 381 HG3 -0.86 -0.08 -0.13 -0.04 2.34 1.23 2c2bB1 ALA 382 H -0.09 0.34 0.30 -0.55 8.40 8.40 2c2bB1 ALA 382 HA -0.05 0.16 0.67 -0.75 4.34 4.36 2c2bB1 ALA 382 HB3 -0.05 0.02 0.02 -0.04 1.41 1.37 2c2bB1 THR 383 H -0.05 0.21 0.14 -0.55 8.28 8.04 2c2bB1 THR 383 HA -0.05 0.10 0.81 -0.75 4.39 4.50 2c2bB1 THR 383 HB -0.04 0.14 0.12 -0.04 4.32 4.50 2c2bB1 THR 383 HG23 -0.03 -0.03 0.03 -0.04 1.22 1.15 2c2bB1 GLU 384 H -0.03 0.23 0.22 -0.55 8.60 8.47 2c2bB1 GLU 384 HA -0.05 0.05 0.33 -0.75 4.29 3.86 2c2bB1 GLU 384 HB2 -0.03 0.01 0.21 -0.04 2.09 2.24 2c2bB1 GLU 384 HB3 -0.02 0.11 0.07 -0.04 1.99 2.10 2c2bB1 GLU 384 HG2 -0.02 0.12 0.02 -0.04 2.34 2.42 2c2bB1 GLU 384 HG3 -0.03 -0.02 0.06 -0.04 2.34 2.30 2c2bB1 GLU 385 H -0.03 0.11 -0.10 -0.55 8.60 8.03 2c2bB1 GLU 385 HA 0.00 0.12 0.56 -0.75 4.29 4.22 2c2bB1 GLU 385 HB2 -0.02 0.12 0.15 -0.04 2.09 2.30 2c2bB1 GLU 385 HB3 -0.03 -0.01 0.08 -0.04 1.99 2.00 2c2bB1 GLU 385 HG2 -0.03 0.05 -0.11 -0.04 2.34 2.21 2c2bB1 GLU 385 HG3 -0.01 -0.07 0.11 -0.04 2.34 2.33 2c2bB1 GLU 386 H -0.03 0.02 -0.22 -0.55 8.60 7.83 2c2bB1 GLU 386 HA -0.05 0.12 0.40 -0.75 4.29 4.01 2c2bB1 GLU 386 HB2 -0.04 -0.15 0.22 -0.04 2.09 2.08 2c2bB1 GLU 386 HB3 -0.05 0.08 0.02 -0.04 1.99 2.00 2c2bB1 GLU 386 HG2 -0.05 0.12 0.06 -0.04 2.34 2.43 2c2bB1 GLU 386 HG3 -0.03 -0.04 0.05 -0.04 2.34 2.28 2c2bB1 LEU 387 H -0.06 0.57 -0.15 -0.55 8.37 8.18 2c2bB1 LEU 387 HA -0.09 0.19 0.22 -0.75 4.35 3.91 2c2bB1 LEU 387 HB2 -0.12 -0.05 -0.18 -0.04 1.64 1.25 2c2bB1 LEU 387 HB3 -0.08 -0.01 -0.12 -0.04 1.64 1.38 2c2bB1 LEU 387 HG -0.09 0.21 0.04 -0.04 1.64 1.76 2c2bB1 LEU 387 HD13 -0.17 0.01 -0.16 -0.04 0.93 0.57 2c2bB1 LEU 387 HD23 -0.08 -0.02 -0.17 -0.04 0.89 0.58 2c2bB1 MET 388 H -0.08 0.34 -0.28 -0.55 8.47 7.90 2c2bB1 MET 388 HA -0.24 0.02 0.45 -0.75 4.52 3.99 2c2bB1 MET 388 HB2 0.02 0.07 0.17 -0.04 2.15 2.38 2c2bB1 MET 388 HB3 -0.11 0.01 -0.00 -0.04 2.03 1.88 2c2bB1 MET 388 HG2 -0.07 0.09 0.10 -0.04 2.63 2.70 2c2bB1 MET 388 HG3 0.02 0.01 0.02 -0.04 2.56 2.56 2c2bB1 MET 388 HE3 -0.09 -0.02 -0.01 -0.04 2.10 1.94 2c2bB1 ASP 389 H -0.02 0.57 -0.07 -0.55 8.40 8.34 2c2bB1 ASP 389 HA 0.19 0.02 0.47 -0.75 4.63 4.56 2c2bB1 ASP 389 HB2 0.04 0.11 0.18 -0.04 2.71 2.99 2c2bB1 ASP 389 HB3 0.33 0.05 -0.03 -0.04 2.70 3.01 2c2bB1 ALA 390 H -0.09 0.49 -0.19 -0.55 8.40 8.06 2c2bB1 ALA 390 HA -0.14 0.08 0.35 -0.75 4.34 3.88 2c2bB1 ALA 390 HB3 -0.10 0.01 0.07 -0.04 1.41 1.35 2c2bB1 MET 391 H -0.21 0.49 -0.20 -0.55 8.47 8.01 2c2bB1 MET 391 HA -0.26 -0.06 0.39 -0.75 4.52 3.84 2c2bB1 MET 391 HB2 -0.25 0.09 0.14 -0.04 2.15 2.09 2c2bB1 MET 391 HB3 -0.32 0.16 0.04 -0.04 2.03 1.87 2c2bB1 MET 391 HG2 -0.26 -0.04 -0.06 -0.04 2.63 2.24 2c2bB1 MET 391 HG3 -0.26 -0.10 -0.25 -0.04 2.56 1.91 2c2bB1 MET 391 HE3 -0.25 -0.03 -0.06 -0.04 2.10 1.72 2c2bB1 ALA 392 H -0.30 0.42 -0.31 -0.55 8.40 7.67 2c2bB1 ALA 392 HA -0.10 0.02 0.39 -0.75 4.34 3.90 2c2bB1 ALA 392 HB3 -0.17 0.06 0.03 -0.04 1.41 1.29 2c2bB1 GLN 393 H -0.26 0.48 -0.11 -0.55 8.47 8.03 2c2bB1 GLN 393 HA -0.43 0.11 0.40 -0.75 4.36 3.69 2c2bB1 GLN 393 HB2 -0.36 -0.01 0.13 -0.04 2.15 1.87 2c2bB1 GLN 393 HB3 -1.07 0.01 -0.03 -0.04 2.02 0.89 2c2bB1 GLN 393 HG2 -1.00 0.04 -0.01 -0.04 2.40 1.38 2c2bB1 GLN 393 HG3 -0.67 0.11 0.04 -0.04 2.39 1.83 2c2bB1 GLN 393 HE21 -0.12 0.00 -0.04 -0.04 6.97 6.77 2c2bB1 GLN 393 HE22 -0.40 0.05 -0.04 -0.04 7.69 7.26 2c2bB1 ALA 394 H -0.43 0.61 -0.11 -0.55 8.40 7.93 2c2bB1 ALA 394 HA -0.83 0.01 0.34 -0.75 4.34 3.11 2c2bB1 ALA 394 HB3 -0.58 -0.02 0.01 -0.04 1.41 0.78 2c2bB1 ASP 395 H -0.22 0.59 -0.22 -0.55 8.40 8.01 2c2bB1 ASP 395 HA -0.09 0.08 0.27 -0.75 4.63 4.14 2c2bB1 ASP 395 HB2 -0.05 0.11 0.16 -0.04 2.71 2.89 2c2bB1 ASP 395 HB3 0.04 0.01 -0.01 -0.04 2.70 2.69 2c2bB1 SER 396 H -0.07 0.51 -0.30 -0.55 8.46 8.05 2c2bB1 SER 396 HA 0.03 0.02 0.35 -0.75 4.49 4.13 2c2bB1 SER 396 HB2 0.08 -0.04 0.13 -0.04 3.95 4.08 2c2bB1 SER 396 HB3 0.04 0.10 0.13 -0.04 3.93 4.17 2c2bB1 THR 397 H -0.02 0.36 -0.66 -0.55 8.28 7.41 2c2bB1 THR 397 HA 0.08 0.22 0.88 -0.75 4.39 4.82 2c2bB1 THR 397 HB 0.14 -0.18 0.15 -0.04 4.32 4.39 2c2bB1 THR 397 HG23 0.28 0.07 -0.16 -0.04 1.22 1.36 2c2bB1 GLY 398 H 0.00 0.58 -0.15 -0.55 8.43 8.31 2c2bB1 GLY 398 HA2 0.01 0.02 0.30 -0.51 4.01 3.83 2c2bB1 GLY 398 HA3 0.06 0.11 0.79 -0.51 4.01 4.46 2c2bB1 MET 399 H -0.13 0.21 -0.11 -0.55 8.47 7.89 2c2bB1 MET 399 HA -0.30 0.07 0.42 -0.75 4.52 3.95 2c2bB1 MET 399 HB2 -0.23 0.13 -0.24 -0.04 2.15 1.77 2c2bB1 MET 399 HB3 -0.22 -0.19 -0.08 -0.04 2.03 1.50 2c2bB1 MET 399 HG2 -0.37 -0.04 -0.07 -0.04 2.63 2.12 2c2bB1 MET 399 HG3 -0.61 0.07 -0.11 -0.04 2.56 1.87 2c2bB1 MET 399 HE3 -0.18 0.01 -0.04 -0.04 2.10 1.84 2c2bB1 PHE 400 H -0.21 0.09 -0.05 -0.55 8.34 7.61 2c2bB1 PHE 400 HA -0.12 0.18 0.57 -0.75 4.62 4.50 2c2bB1 PHE 400 HB2 -0.11 0.21 -0.15 -0.04 3.15 3.06 2c2bB1 PHE 400 HB3 -0.17 -0.13 0.21 -0.04 3.06 2.92 2c2bB1 PHE 400 HD2 0.08 0.00 0.03 -0.04 7.28 7.34 2c2bB1 PHE 400 HE2 0.04 -0.00 -0.21 -0.04 7.38 7.16 2c2bB1 PHE 400 HZ 0.03 -0.01 -0.10 -0.04 7.32 7.21 2c2bB1 ILE 401 H -0.25 0.26 0.01 -0.55 8.25 7.72 2c2bB1 ILE 401 HA -0.18 0.12 0.74 -0.75 4.18 4.11 2c2bB1 ILE 401 HB -0.13 -0.10 0.09 -0.04 1.89 1.70 2c2bB1 ILE 401 HG12 -0.22 0.06 -0.11 -0.04 1.49 1.17 2c2bB1 ILE 401 HG13 -0.23 0.02 -0.00 -0.04 1.21 0.96 2c2bB1 ILE 401 HG23 -0.11 -0.00 -0.12 -0.04 0.93 0.65 2c2bB1 ILE 401 HD13 -0.22 -0.00 -0.23 -0.04 0.88 0.39 2c2bB1 CYS 402 H -0.09 0.08 0.20 -0.55 8.50 8.14 2c2bB1 CYS 402 HA -0.28 0.27 0.56 -0.75 4.58 4.38 2c2bB1 CYS 402 HB2 -0.57 0.00 0.12 -0.04 2.97 2.48 2c2bB1 CYS 402 HB3 0.10 0.26 -0.05 -0.04 2.97 3.25 2c2bB1 PRO 403 HA -0.31 0.17 0.47 -0.51 4.44 4.25 2c2bB1 PRO 403 HB2 -0.46 0.02 -0.05 -0.04 2.28 1.75 2c2bB1 PRO 403 HB3 -0.34 0.12 0.08 -0.04 2.02 1.84 2c2bB1 PRO 403 HG2 -1.28 -0.05 0.09 -0.04 2.03 0.75 2c2bB1 PRO 403 HG3 -0.65 0.12 0.09 -0.04 2.03 1.54 2c2bB1 PRO 403 HD2 -1.74 0.08 0.23 -0.04 3.68 2.21 2c2bB1 PRO 403 HD3 -0.59 0.28 0.19 -0.04 3.65 3.49 2c2bB1 HIS 404 H -0.70 0.13 -0.19 -0.55 8.41 7.10 2c2bB1 HIS 404 HA -0.11 0.10 0.45 -0.75 4.63 4.32 2c2bB1 HIS 404 HB2 -0.08 -0.04 0.04 -0.04 3.26 3.14 2c2bB1 HIS 404 HB3 -0.05 0.03 0.08 -0.04 3.20 3.22 2c2bB1 HIS 404 HD2 -0.19 -0.02 0.04 -0.04 6.97 6.75 2c2bB1 HIS 404 HE1 0.05 0.05 0.01 -0.04 7.75 7.81 2c2bB1 THR 405 H -0.08 0.13 -0.26 -0.55 8.28 7.52 2c2bB1 THR 405 HA -0.04 0.17 0.54 -0.75 4.39 4.31 2c2bB1 THR 405 HB -0.12 0.19 0.02 -0.04 4.32 4.37 2c2bB1 THR 405 HG23 -0.06 0.05 -0.11 -0.04 1.22 1.07 2c2bB1 GLY 406 H -0.17 0.27 -0.22 -0.55 8.43 7.77 2c2bB1 GLY 406 HA2 -0.15 0.06 0.34 -0.51 4.01 3.75 2c2bB1 GLY 406 HA3 -0.17 0.19 0.30 -0.51 4.01 3.82 2c2bB1 VAL 407 H -0.10 0.35 -0.32 -0.55 8.24 7.62 2c2bB1 VAL 407 HA -0.06 -0.00 0.38 -0.75 4.13 3.69 2c2bB1 VAL 407 HB -0.02 0.21 0.08 -0.04 2.12 2.35 2c2bB1 VAL 407 HG13 -0.02 -0.02 -0.46 -0.04 0.97 0.43 2c2bB1 VAL 407 HG23 -0.07 0.04 -0.03 -0.04 0.95 0.85 2c2bB1 ALA 408 H -0.03 0.31 -0.25 -0.55 8.40 7.89 2c2bB1 ALA 408 HA -0.01 0.02 0.30 -0.75 4.34 3.91 2c2bB1 ALA 408 HB3 -0.02 0.03 -0.00 -0.04 1.41 1.38 2c2bB1 LEU 409 H -0.03 0.50 -0.21 -0.55 8.37 8.08 2c2bB1 LEU 409 HA 0.08 0.08 0.37 -0.75 4.35 4.12 2c2bB1 LEU 409 HB2 -0.05 0.03 0.03 -0.04 1.64 1.61 2c2bB1 LEU 409 HB3 0.11 0.03 -0.04 -0.04 1.64 1.70 2c2bB1 LEU 409 HG -0.06 0.07 -0.05 -0.04 1.64 1.57 2c2bB1 LEU 409 HD13 -0.33 -0.02 -0.19 -0.04 0.93 0.35 2c2bB1 LEU 409 HD23 0.10 0.01 -0.11 -0.04 0.89 0.85 2c2bB1 THR 410 H -0.01 0.38 -0.35 -0.55 8.28 7.76 2c2bB1 THR 410 HA 0.06 0.07 0.51 -0.75 4.39 4.27 2c2bB1 THR 410 HB -0.01 0.13 0.07 -0.04 4.32 4.46 2c2bB1 THR 410 HG23 0.01 -0.04 -0.01 -0.04 1.22 1.14 2c2bB1 ALA 411 H 0.02 0.41 -0.27 -0.55 8.40 8.00 2c2bB1 ALA 411 HA 0.02 0.03 0.36 -0.75 4.34 3.99 2c2bB1 ALA 411 HB3 -0.00 0.04 -0.04 -0.04 1.41 1.37 2c2bB1 LEU 412 H 0.04 0.31 -0.41 -0.55 8.37 7.76 2c2bB1 LEU 412 HA -0.08 0.05 0.42 -0.75 4.35 3.97 2c2bB1 LEU 412 HB2 0.03 -0.02 -0.01 -0.04 1.64 1.59 2c2bB1 LEU 412 HB3 0.09 0.12 0.10 -0.04 1.64 1.91 2c2bB1 LEU 412 HG 0.03 0.06 -0.26 -0.04 1.64 1.43 2c2bB1 LEU 412 HD13 -0.07 -0.00 -0.10 -0.04 0.93 0.72 2c2bB1 LEU 412 HD23 0.13 -0.02 -0.12 -0.04 0.89 0.84 2c2bB1 PHE 413 H 0.19 0.52 -0.12 -0.55 8.34 8.38 2c2bB1 PHE 413 HA -0.03 0.09 0.42 -0.75 4.62 4.35 2c2bB1 PHE 413 HB2 0.02 0.03 0.12 -0.04 3.15 3.28 2c2bB1 PHE 413 HB3 0.00 0.06 0.24 -0.04 3.06 3.32 2c2bB1 PHE 413 HD2 0.00 0.03 -0.04 -0.04 7.28 7.23 2c2bB1 PHE 413 HE2 0.02 0.03 -0.01 -0.04 7.38 7.37 2c2bB1 PHE 413 HZ 0.03 0.00 -0.02 -0.04 7.32 7.30 2c2bB1 LYS 414 H 0.14 0.60 -0.10 -0.55 8.42 8.51 2c2bB1 LYS 414 HA -0.12 0.02 0.35 -0.75 4.32 3.82 2c2bB1 LYS 414 HB2 0.04 0.07 0.12 -0.04 1.87 2.06 2c2bB1 LYS 414 HB3 0.02 -0.02 0.01 -0.04 1.79 1.75 2c2bB1 LYS 414 HG2 0.12 -0.03 0.04 -0.04 1.46 1.56 2c2bB1 LYS 414 HG3 0.25 0.04 0.07 -0.04 1.46 1.78 2c2bB1 LYS 414 HD2 0.05 0.08 -0.02 -0.04 1.69 1.75 2c2bB1 LYS 414 HD3 0.05 -0.04 0.03 -0.04 1.68 1.67 2c2bB1 LYS 414 HE2 0.06 -0.01 0.01 -0.04 2.99 3.01 2c2bB1 LYS 414 HE3 0.08 -0.07 0.03 -0.04 2.99 2.99 2c2bB1 LEU 415 H -0.08 0.43 -0.31 -0.55 8.37 7.86 2c2bB1 LEU 415 HA -0.11 0.03 0.48 -0.75 4.35 4.00 2c2bB1 LEU 415 HB2 -0.22 0.16 0.10 -0.04 1.64 1.64 2c2bB1 LEU 415 HB3 -0.32 -0.09 -0.03 -0.04 1.64 1.17 2c2bB1 LEU 415 HG -0.08 -0.01 -0.02 -0.04 1.64 1.49 2c2bB1 LEU 415 HD13 -0.26 -0.01 -0.15 -0.04 0.93 0.47 2c2bB1 LEU 415 HD23 -0.08 -0.01 -0.05 -0.04 0.89 0.72 2c2bB1 ARG 416 H -0.17 0.50 -0.21 -0.55 8.46 8.04 2c2bB1 ARG 416 HA -0.14 0.16 0.68 -0.75 4.34 4.28 2c2bB1 ARG 416 HB2 -0.21 0.11 0.22 -0.04 1.90 1.98 2c2bB1 ARG 416 HB3 -0.15 0.03 0.02 -0.04 1.80 1.66 2c2bB1 ARG 416 HG2 -0.14 -0.12 -0.01 -0.04 1.67 1.36 2c2bB1 ARG 416 HG3 -0.08 -0.08 -0.07 -0.04 1.67 1.39 2c2bB1 ARG 416 HD2 -0.06 -0.09 -0.15 -0.04 3.22 2.88 2c2bB1 ARG 416 HD3 -0.07 0.21 -0.01 -0.04 3.22 3.31 2c2bB1 ASN 417 H -0.31 0.48 -0.03 -0.55 8.53 8.13 2c2bB1 ASN 417 HA -0.18 0.07 0.45 -0.75 4.76 4.34 2c2bB1 ASN 417 HB2 -0.25 0.10 0.14 -0.04 2.88 2.84 2c2bB1 ASN 417 HB3 -0.17 -0.06 0.03 -0.04 2.79 2.55 2c2bB1 ASN 417 HD21 -1.02 -0.04 -0.03 -0.04 7.03 5.89 2c2bB1 ASN 417 HD22 -0.32 -0.07 -0.01 -0.04 7.74 7.30 2c2bB1 GLN 418 H -0.12 0.26 -0.31 -0.55 8.47 7.76 2c2bB1 GLN 418 HA -0.05 0.06 0.55 -0.75 4.36 4.17 2c2bB1 GLN 418 HB2 -0.06 -0.02 0.11 -0.04 2.15 2.14 2c2bB1 GLN 418 HB3 -0.03 -0.02 0.07 -0.04 2.02 2.00 2c2bB1 GLN 418 HG2 -0.02 -0.05 0.02 -0.04 2.40 2.32 2c2bB1 GLN 418 HG3 -0.05 0.15 0.05 -0.04 2.39 2.50 2c2bB1 GLN 418 HE21 0.04 -0.09 -0.12 -0.04 6.97 6.76 2c2bB1 GLN 418 HE22 -0.01 0.06 -0.14 -0.04 7.69 7.56 2c2bB1 GLY 419 H -0.09 0.33 -0.60 -0.55 8.43 7.53 2c2bB1 GLY 419 HA2 -0.05 0.13 0.24 -0.51 4.01 3.82 2c2bB1 GLY 419 HA3 -0.03 0.02 0.41 -0.51 4.01 3.90 2c2bB1 VAL 420 H -0.08 0.29 -0.12 -0.55 8.24 7.78 2c2bB1 VAL 420 HA 0.04 0.10 0.55 -0.75 4.13 4.07 2c2bB1 VAL 420 HB -0.16 -0.02 0.07 -0.04 2.12 1.98 2c2bB1 VAL 420 HG13 0.02 -0.02 -0.12 -0.04 0.97 0.81 2c2bB1 VAL 420 HG23 0.00 -0.01 -0.08 -0.04 0.95 0.82 2c2bB1 ILE 421 H -0.20 0.31 -0.08 -0.55 8.25 7.74 2c2bB1 ILE 421 HA -0.09 0.10 0.78 -0.75 4.18 4.22 2c2bB1 ILE 421 HB -0.32 -0.01 -0.10 -0.04 1.89 1.41 2c2bB1 ILE 421 HG12 -2.34 0.05 -0.16 -0.04 1.49 -1.01 2c2bB1 ILE 421 HG13 -1.02 -0.07 -0.28 -0.04 1.21 -0.20 2c2bB1 ILE 421 HG23 -0.21 0.02 -0.21 -0.04 0.93 0.49 2c2bB1 ILE 421 HD13 -0.72 -0.02 -0.14 -0.04 0.88 -0.05 2c2bB1 ALA 422 H 0.13 0.08 0.06 -0.55 8.40 8.12 2c2bB1 ALA 422 HA 0.01 0.22 0.45 -0.75 4.34 4.26 2c2bB1 ALA 422 HB3 0.07 -0.00 0.07 -0.04 1.41 1.51 2c2bB1 PRO 423 HA 0.01 0.19 0.41 -0.51 4.44 4.54 2c2bB1 PRO 423 HB2 0.02 -0.08 0.07 -0.04 2.28 2.24 2c2bB1 PRO 423 HB3 0.00 0.36 0.24 -0.04 2.02 2.58 2c2bB1 PRO 423 HG2 0.00 -0.01 0.12 -0.04 2.03 2.10 2c2bB1 PRO 423 HG3 -0.01 0.13 0.13 -0.04 2.03 2.24 2c2bB1 PRO 423 HD2 0.02 0.02 0.21 -0.04 3.68 3.88 2c2bB1 PRO 423 HD3 0.01 0.18 0.24 -0.04 3.65 4.04 2c2bB1 THR 424 H 0.05 0.08 -0.22 -0.55 8.28 7.64 2c2bB1 THR 424 HA 0.07 0.06 0.48 -0.75 4.39 4.25 2c2bB1 THR 424 HB 0.05 0.00 -0.02 -0.04 4.32 4.31 2c2bB1 THR 424 HG23 0.04 -0.00 0.02 -0.04 1.22 1.24 2c2bB1 ASP 425 H 0.10 0.24 -0.47 -0.55 8.40 7.73 2c2bB1 ASP 425 HA 0.11 -0.02 0.29 -0.75 4.63 4.26 2c2bB1 ASP 425 HB2 0.18 0.24 0.02 -0.04 2.71 3.11 2c2bB1 ASP 425 HB3 0.42 -0.00 -0.14 -0.04 2.70 2.94 2c2bB1 ARG 426 H 0.06 0.08 0.22 -0.55 8.46 8.28 2c2bB1 ARG 426 HA 0.18 0.30 0.71 -0.75 4.34 4.77 2c2bB1 ARG 426 HB2 -0.08 0.08 0.18 -0.04 1.90 2.03 2c2bB1 ARG 426 HB3 -0.13 -0.25 0.31 -0.04 1.80 1.69 2c2bB1 ARG 426 HG2 -0.38 -0.08 -0.15 -0.04 1.67 1.01 2c2bB1 ARG 426 HG3 -0.16 0.08 -0.00 -0.04 1.67 1.55 2c2bB1 ARG 426 HD2 -0.58 0.03 -0.13 -0.04 3.22 2.50 2c2bB1 ARG 426 HD3 -2.06 0.06 -0.11 -0.04 3.22 1.06 2c2bB1 THR 427 H 0.33 0.64 0.41 -0.55 8.28 9.10 2c2bB1 THR 427 HA 0.26 0.21 1.00 -0.75 4.39 5.11 2c2bB1 THR 427 HB 0.21 -0.06 0.06 -0.04 4.32 4.49 2c2bB1 THR 427 HG23 0.16 -0.03 -0.23 -0.04 1.22 1.08 2c2bB1 VAL 428 H 0.21 0.71 0.32 -0.55 8.24 8.92 2c2bB1 VAL 428 HA 0.32 0.29 1.01 -0.75 4.13 5.00 2c2bB1 VAL 428 HB 0.18 -0.00 0.19 -0.04 2.12 2.45 2c2bB1 VAL 428 HG13 0.18 -0.04 -0.21 -0.04 0.97 0.85 2c2bB1 VAL 428 HG23 0.29 0.02 -0.15 -0.04 0.95 1.06 2c2bB1 VAL 429 H 0.19 0.88 0.38 -0.55 8.24 9.14 2c2bB1 VAL 429 HA 0.05 0.14 0.99 -0.75 4.13 4.56 2c2bB1 VAL 429 HB 0.10 0.00 0.13 -0.04 2.12 2.30 2c2bB1 VAL 429 HG13 0.01 -0.03 -0.22 -0.04 0.97 0.69 2c2bB1 VAL 429 HG23 0.11 0.02 -0.16 -0.04 0.95 0.87 2c2bB1 VAL 430 H -0.06 0.77 0.30 -0.55 8.24 8.70 2c2bB1 VAL 430 HA -0.01 0.06 0.67 -0.75 4.13 4.10 2c2bB1 VAL 430 HB -0.27 -0.02 0.25 -0.04 2.12 2.04 2c2bB1 VAL 430 HG13 -0.15 -0.04 -0.16 -0.04 0.97 0.57 2c2bB1 VAL 430 HG23 -0.47 0.03 -0.10 -0.04 0.95 0.38 2c2bB1 SER 431 H 0.04 0.66 0.37 -0.55 8.46 8.99 2c2bB1 SER 431 HA 0.01 0.01 0.90 -0.75 4.49 4.65 2c2bB1 SER 431 HB2 0.08 0.08 0.02 -0.04 3.95 4.09 2c2bB1 SER 431 HB3 0.17 0.10 0.15 -0.04 3.93 4.32 2c2bB1 THR 432 H 0.04 0.06 0.15 -0.55 8.28 7.98 2c2bB1 THR 432 HA 0.02 0.17 0.31 -0.75 4.39 4.14 2c2bB1 THR 432 HB 0.27 -0.05 0.05 -0.04 4.32 4.55 2c2bB1 THR 432 HG23 -0.36 0.05 -0.02 -0.04 1.22 0.85 2c2bB1 ALA 433 H 0.15 0.08 0.07 -0.55 8.40 8.16 2c2bB1 ALA 433 HA 0.24 0.26 0.94 -0.75 4.34 5.02 2c2bB1 ALA 433 HB3 0.38 0.01 0.01 -0.04 1.41 1.76 2c2bB1 HIS 434 H 0.27 0.85 0.39 -0.55 8.41 9.38 2c2bB1 HIS 434 HA 0.07 0.05 0.52 -0.75 4.63 4.52 2c2bB1 HIS 434 HB2 0.09 0.40 0.22 -0.04 3.26 3.94 2c2bB1 HIS 434 HB3 0.10 -0.07 0.15 -0.04 3.20 3.33 2c2bB1 HIS 434 HD2 0.04 0.07 -0.15 -0.04 6.97 6.89 2c2bB1 HIS 434 HE1 0.16 0.07 0.02 -0.04 7.75 7.96 2c2bB1 GLY 435 H -0.04 0.60 0.26 -0.55 8.43 8.71 2c2bB1 GLY 435 HA2 0.00 -0.01 0.06 -0.51 4.01 3.55 2c2bB1 GLY 435 HA3 -0.44 0.16 -0.03 -0.51 4.01 3.19 2c2bB1 LEU 436 H 0.73 0.11 -0.44 -0.55 8.37 8.21 2c2bB1 LEU 436 HA 0.35 0.09 0.33 -0.75 4.35 4.37 2c2bB1 LEU 436 HB2 -0.12 0.00 0.01 -0.04 1.64 1.49 2c2bB1 LEU 436 HB3 -0.01 0.06 0.03 -0.04 1.64 1.68 2c2bB1 LEU 436 HG 0.25 -0.05 -0.01 -0.04 1.64 1.79 2c2bB1 LEU 436 HD13 -0.37 0.02 -0.00 -0.04 0.93 0.54 2c2bB1 LEU 436 HD23 0.06 0.01 0.00 -0.04 0.89 0.92 2c2bB1 LYS 437 H 0.12 0.47 -0.41 -0.55 8.42 8.04 2c2bB1 LYS 437 HA -0.16 0.18 0.69 -0.75 4.32 4.27 2c2bB1 LYS 437 HB2 -0.32 0.02 0.04 -0.04 1.87 1.56 2c2bB1 LYS 437 HB3 -0.46 -0.06 0.15 -0.04 1.79 1.37 2c2bB1 LYS 437 HG2 -0.06 0.07 -0.02 -0.04 1.46 1.41 2c2bB1 LYS 437 HG3 0.05 0.01 0.05 -0.04 1.46 1.53 2c2bB1 LYS 437 HD2 0.06 0.08 0.07 -0.04 1.69 1.87 2c2bB1 LYS 437 HD3 0.04 -0.14 0.02 -0.04 1.68 1.56 2c2bB1 LYS 437 HE2 -0.10 -0.08 0.03 -0.04 2.99 2.80 2c2bB1 LYS 437 HE3 -0.03 0.10 0.04 -0.04 2.99 3.05 2c2bB1 PHE 438 H 0.09 0.61 -0.38 -0.55 8.34 8.11 2c2bB1 PHE 438 HA -0.01 0.10 0.81 -0.75 4.62 4.78 2c2bB1 PHE 438 HB2 -0.11 0.11 0.14 -0.04 3.15 3.25 2c2bB1 PHE 438 HB3 -0.08 -0.09 0.20 -0.04 3.06 3.05 2c2bB1 PHE 438 HD2 -0.01 0.07 -0.06 -0.04 7.28 7.24 2c2bB1 PHE 438 HE2 0.11 -0.02 -0.03 -0.04 7.38 7.40 2c2bB1 PHE 438 HZ 0.31 -0.07 -0.00 -0.04 7.32 7.51 2c2bB1 THR 439 H 0.04 0.27 -0.11 -0.55 8.28 7.93 2c2bB1 THR 439 HA 0.09 0.16 0.49 -0.75 4.39 4.37 2c2bB1 THR 439 HB 0.12 0.03 0.04 -0.04 4.32 4.48 2c2bB1 THR 439 HG23 0.21 0.04 0.01 -0.04 1.22 1.44 2c2bB1 GLN 440 H 0.05 0.11 -0.14 -0.55 8.47 7.94 2c2bB1 GLN 440 HA 0.05 0.15 0.35 -0.75 4.36 4.16 2c2bB1 GLN 440 HB2 0.03 0.03 0.08 -0.04 2.15 2.24 2c2bB1 GLN 440 HB3 0.04 -0.02 0.02 -0.04 2.02 2.02 2c2bB1 GLN 440 HG2 0.02 0.02 -0.01 -0.04 2.40 2.39 2c2bB1 GLN 440 HG3 0.03 0.01 -0.08 -0.04 2.39 2.31 2c2bB1 GLN 440 HE21 0.03 0.07 -0.01 -0.04 6.97 7.01 2c2bB1 GLN 440 HE22 0.03 -0.01 0.01 -0.04 7.69 7.67 2c2bB1 SER 441 H 0.07 0.11 -0.23 -0.55 8.46 7.86 2c2bB1 SER 441 HA 0.04 0.11 0.47 -0.75 4.49 4.36 2c2bB1 SER 441 HB2 -0.00 0.01 0.02 -0.04 3.95 3.94 2c2bB1 SER 441 HB3 0.04 -0.02 0.07 -0.04 3.93 3.98 2c2bB1 LYS 442 H 0.05 0.23 -0.27 -0.55 8.42 7.88 2c2bB1 LYS 442 HA 0.08 0.03 0.46 -0.75 4.32 4.14 2c2bB1 LYS 442 HB2 0.07 0.07 0.17 -0.04 1.87 2.15 2c2bB1 LYS 442 HB3 0.18 0.06 -0.03 -0.04 1.79 1.95 2c2bB1 LYS 442 HG2 -0.06 0.03 -0.01 -0.04 1.46 1.38 2c2bB1 LYS 442 HG3 -0.10 -0.11 0.01 -0.04 1.46 1.22 2c2bB1 LYS 442 HD2 -0.21 0.18 -0.02 -0.04 1.69 1.59 2c2bB1 LYS 442 HD3 -0.21 -0.02 -0.04 -0.04 1.68 1.37 2c2bB1 LYS 442 HE2 -1.46 -0.11 -0.11 -0.04 2.99 1.27 2c2bB1 LYS 442 HE3 -0.87 0.05 -0.04 -0.04 2.99 2.09 2c2bB1 ILE 443 H 0.10 0.64 -0.06 -0.55 8.25 8.38 2c2bB1 ILE 443 HA 0.13 0.08 0.43 -0.75 4.18 4.06 2c2bB1 ILE 443 HB 0.07 0.01 0.15 -0.04 1.89 2.08 2c2bB1 ILE 443 HG12 0.07 0.02 0.01 -0.04 1.49 1.54 2c2bB1 ILE 443 HG13 0.10 0.03 0.04 -0.04 1.21 1.34 2c2bB1 ILE 443 HG23 0.05 0.00 -0.15 -0.04 0.93 0.79 2c2bB1 ILE 443 HD13 0.05 -0.04 -0.14 -0.04 0.88 0.71 2c2bB1 ASP 444 H 0.07 0.46 -0.24 -0.55 8.40 8.15 2c2bB1 ASP 444 HA 0.03 0.07 0.33 -0.75 4.63 4.32 2c2bB1 ASP 444 HB2 0.05 0.03 0.12 -0.04 2.71 2.87 2c2bB1 ASP 444 HB3 0.02 -0.04 -0.18 -0.04 2.70 2.46 2c2bB1 TYR 445 H 0.14 0.59 -0.15 -0.55 8.29 8.32 2c2bB1 TYR 445 HA -0.09 -0.05 0.37 -0.75 4.56 4.03 2c2bB1 TYR 445 HB2 -0.12 -0.01 0.11 -0.04 3.06 3.00 2c2bB1 TYR 445 HB3 -0.22 0.10 0.15 -0.04 2.98 2.97 2c2bB1 TYR 445 HD2 -0.60 0.03 -0.18 -0.04 7.15 6.36 2c2bB1 TYR 445 HE2 -0.13 0.02 -0.35 -0.04 6.85 6.35 2c2bB1 HIS 446 H 0.19 0.57 -0.19 -0.55 8.41 8.43 2c2bB1 HIS 446 HA 0.05 0.01 0.49 -0.75 4.63 4.43 2c2bB1 HIS 446 HB2 0.09 0.12 0.07 -0.04 3.26 3.51 2c2bB1 HIS 446 HB3 0.07 0.04 -0.00 -0.04 3.20 3.27 2c2bB1 HIS 446 HD2 0.11 0.09 0.03 -0.04 6.97 7.17 2c2bB1 HIS 446 HE1 0.15 0.17 -0.01 -0.04 7.75 8.02 2c2bB1 SER 447 H 0.05 0.24 -0.47 -0.55 8.46 7.73 2c2bB1 SER 447 HA 0.02 0.20 0.85 -0.75 4.49 4.81 2c2bB1 SER 447 HB2 0.01 -0.05 0.15 -0.04 3.95 4.02 2c2bB1 SER 447 HB3 0.04 -0.00 0.03 -0.04 3.93 3.96 2c2bB1 ASN 448 H -0.11 0.30 -0.31 -0.55 8.53 7.86 2c2bB1 ASN 448 HA -0.18 0.02 0.32 -0.75 4.76 4.17 2c2bB1 ASN 448 HB2 -0.06 0.10 0.02 -0.04 2.88 2.89 2c2bB1 ASN 448 HB3 -0.10 -0.04 0.18 -0.04 2.79 2.79 2c2bB1 ASN 448 HD21 -0.13 0.05 0.05 -0.04 7.03 6.96 2c2bB1 ASN 448 HD22 -0.15 0.04 0.06 -0.04 7.74 7.65 2c2bB1 ALA 449 H -0.05 0.63 -0.08 -0.55 8.40 8.35 2c2bB1 ALA 449 HA -0.03 0.19 0.60 -0.75 4.34 4.34 2c2bB1 ALA 449 HB3 -0.01 -0.01 0.02 -0.04 1.41 1.38 2c2bB1 ILE 450 H -0.07 0.15 -0.31 -0.55 8.25 7.46 2c2bB1 ILE 450 HA -0.02 0.18 0.85 -0.75 4.18 4.44 2c2bB1 ILE 450 HB -0.04 -0.04 0.01 -0.04 1.89 1.78 2c2bB1 ILE 450 HG12 0.01 0.02 -0.14 -0.04 1.49 1.35 2c2bB1 ILE 450 HG13 -0.00 -0.02 -0.42 -0.04 1.21 0.73 2c2bB1 ILE 450 HG23 -0.00 0.02 -0.15 -0.04 0.93 0.75 2c2bB1 ILE 450 HD13 0.09 0.00 -0.05 -0.04 0.88 0.88 2c2bB1 PRO 451 HA -0.03 0.08 0.41 -0.51 4.44 4.38 2c2bB1 PRO 451 HB2 -0.02 -0.00 -0.04 -0.04 2.28 2.18 2c2bB1 PRO 451 HB3 -0.02 0.06 0.07 -0.04 2.02 2.09 2c2bB1 PRO 451 HG2 -0.01 -0.03 0.05 -0.04 2.03 2.00 2c2bB1 PRO 451 HG3 -0.01 0.05 0.06 -0.04 2.03 2.08 2c2bB1 PRO 451 HD2 -0.01 0.01 0.24 -0.04 3.68 3.88 2c2bB1 PRO 451 HD3 -0.02 0.33 0.12 -0.04 3.65 4.04 2c2bB1 ASP 452 H -0.03 0.15 0.14 -0.55 8.40 8.12 2c2bB1 ASP 452 HA -0.03 0.02 0.31 -0.75 4.63 4.17 2c2bB1 ASP 452 HB2 -0.02 0.19 0.13 -0.04 2.71 2.96 2c2bB1 ASP 452 HB3 -0.02 -0.06 0.21 -0.04 2.70 2.79 2c2bB1 MET 453 H -0.05 0.33 -0.13 -0.55 8.47 8.07 2c2bB1 MET 453 HA -0.05 -0.03 0.58 -0.75 4.52 4.27 2c2bB1 MET 453 HB2 -0.03 0.10 -0.42 -0.04 2.15 1.76 2c2bB1 MET 453 HB3 -0.06 0.14 -0.07 -0.04 2.03 2.00 2c2bB1 MET 453 HG2 -0.04 -0.20 0.02 -0.04 2.63 2.37 2c2bB1 MET 453 HG3 -0.02 -0.06 0.10 -0.04 2.56 2.55 2c2bB1 MET 453 HE3 -0.00 -0.01 -0.21 -0.04 2.10 1.84 2c2bB1 ALA 454 H -0.09 0.08 0.12 -0.55 8.40 7.96 2c2bB1 ALA 454 HA -0.11 0.18 0.41 -0.75 4.34 4.07 2c2bB1 ALA 454 HB3 -0.12 0.01 0.07 -0.04 1.41 1.33 2c2bB1 CYS 455 H -0.20 -0.06 -0.17 -0.55 8.50 7.52 2c2bB1 CYS 455 HA -0.73 -0.09 0.27 -0.75 4.58 3.28 2c2bB1 CYS 455 HB2 -0.39 0.22 0.15 -0.04 2.97 2.90 2c2bB1 CYS 455 HB3 -1.02 0.15 0.26 -0.04 2.97 2.32 2c2bB1 ARG 456 H -0.30 -0.03 -0.08 -0.55 8.46 7.49 2c2bB1 ARG 456 HA -0.24 0.21 0.12 -0.75 4.34 3.66 2c2bB1 ARG 456 HB2 -0.44 0.10 0.05 -0.04 1.90 1.57 2c2bB1 ARG 456 HB3 -0.32 -0.07 0.03 -0.04 1.80 1.40 2c2bB1 ARG 456 HG2 -0.68 -0.18 0.04 -0.04 1.67 0.81 2c2bB1 ARG 456 HG3 -2.43 0.11 -0.16 -0.04 1.67 -0.85 2c2bB1 ARG 456 HD2 -0.52 0.04 -0.03 -0.04 3.22 2.66 2c2bB1 ARG 456 HD3 -0.37 0.07 -0.02 -0.04 3.22 2.86 2c2bB1 PHE 457 H -0.05 -0.09 -0.38 -0.55 8.34 7.27 2c2bB1 PHE 457 HA 0.09 0.31 0.84 -0.75 4.62 5.10 2c2bB1 PHE 457 HB2 0.17 -0.10 -0.01 -0.04 3.15 3.16 2c2bB1 PHE 457 HB3 0.12 0.09 0.06 -0.04 3.06 3.28 2c2bB1 PHE 457 HD2 0.06 0.05 -0.03 -0.04 7.28 7.33 2c2bB1 PHE 457 HE2 0.02 -0.01 -0.06 -0.04 7.38 7.28 2c2bB1 PHE 457 HZ 0.02 0.01 -0.05 -0.04 7.32 7.26 2c2bB1 SER 458 H -0.06 0.43 -0.21 -0.55 8.46 8.07 2c2bB1 SER 458 HA 0.19 -0.10 0.37 -0.75 4.49 4.20 2c2bB1 SER 458 HB2 -0.01 0.00 0.11 -0.04 3.95 4.01 2c2bB1 SER 458 HB3 -0.37 0.05 0.19 -0.04 3.93 3.76 2c2bB1 ASN 459 H 0.74 0.02 0.10 -0.55 8.53 8.84 2c2bB1 ASN 459 HA 0.11 0.24 0.83 -0.75 4.76 5.19 2c2bB1 ASN 459 HB2 0.15 0.07 -0.04 -0.04 2.88 3.02 2c2bB1 ASN 459 HB3 -0.01 -0.10 0.17 -0.04 2.79 2.81 2c2bB1 ASN 459 HD21 -0.03 -0.02 -0.01 -0.04 7.03 6.93 2c2bB1 ASN 459 HD22 -0.04 -0.05 0.02 -0.04 7.74 7.64 2c2bB1 PRO 460 HA 0.04 0.07 0.55 -0.51 4.44 4.59 2c2bB1 PRO 460 HB2 0.01 0.06 -0.01 -0.04 2.28 2.30 2c2bB1 PRO 460 HB3 0.02 0.08 0.17 -0.04 2.02 2.25 2c2bB1 PRO 460 HG2 0.01 -0.02 0.01 -0.04 2.03 1.99 2c2bB1 PRO 460 HG3 0.01 -0.01 -0.00 -0.04 2.03 1.99 2c2bB1 PRO 460 HD2 0.06 0.20 -0.09 -0.04 3.68 3.80 2c2bB1 PRO 460 HD3 0.06 0.04 -0.19 -0.04 3.65 3.51 2c2bB1 PRO 461 HA -0.03 0.06 0.59 -0.51 4.44 4.54 2c2bB1 PRO 461 HB2 -0.02 0.03 -0.07 -0.04 2.28 2.18 2c2bB1 PRO 461 HB3 -0.02 0.01 0.11 -0.04 2.02 2.08 2c2bB1 PRO 461 HG2 -0.00 -0.01 0.06 -0.04 2.03 2.04 2c2bB1 PRO 461 HG3 -0.00 -0.01 0.07 -0.04 2.03 2.04 2c2bB1 PRO 461 HD2 0.02 0.08 0.25 -0.04 3.68 3.99 2c2bB1 PRO 461 HD3 0.00 0.17 0.20 -0.04 3.65 3.97 2c2bB1 VAL 462 H -0.04 0.11 0.14 -0.55 8.24 7.90 2c2bB1 VAL 462 HA -0.02 0.13 0.68 -0.75 4.13 4.17 2c2bB1 VAL 462 HB -0.04 -0.04 0.06 -0.04 2.12 2.05 2c2bB1 VAL 462 HG13 -0.02 0.00 -0.11 -0.04 0.97 0.81 2c2bB1 VAL 462 HG23 -0.03 0.03 -0.03 -0.04 0.95 0.88 2c2bB1 ASP 463 H -0.01 0.15 0.14 -0.55 8.40 8.13 2c2bB1 ASP 463 HA -0.01 0.11 0.67 -0.75 4.63 4.65 2c2bB1 ASP 463 HB2 -0.01 -0.02 0.12 -0.04 2.71 2.76 2c2bB1 ASP 463 HB3 -0.01 -0.02 -0.02 -0.04 2.70 2.61 2c2bB1 VAL 464 H -0.01 0.30 0.21 -0.55 8.24 8.19 2c2bB1 VAL 464 HA -0.01 0.09 0.67 -0.75 4.13 4.13 2c2bB1 VAL 464 HB -0.01 0.05 -0.03 -0.04 2.12 2.08 2c2bB1 VAL 464 HG13 -0.02 -0.02 -0.03 -0.04 0.97 0.87 2c2bB1 VAL 464 HG23 -0.02 0.06 -0.32 -0.04 0.95 0.63 2c2bB1 LYS 465 H -0.00 0.07 0.12 -0.55 8.42 8.05 2c2bB1 LYS 465 HA 0.00 0.19 0.73 -0.75 4.32 4.49 2c2bB1 LYS 465 HB2 0.01 -0.04 0.07 -0.04 1.87 1.86 2c2bB1 LYS 465 HB3 0.01 -0.04 0.09 -0.04 1.79 1.81 2c2bB1 LYS 465 HG2 0.00 0.02 0.02 -0.04 1.46 1.47 2c2bB1 LYS 465 HG3 0.00 0.06 -0.00 -0.04 1.46 1.48 2c2bB1 LYS 465 HD2 0.00 0.06 -0.05 -0.04 1.69 1.66 2c2bB1 LYS 465 HD3 -0.00 -0.07 0.01 -0.04 1.68 1.58 2c2bB1 LYS 465 HE2 0.00 0.03 0.00 -0.04 2.99 2.98 2c2bB1 LYS 465 HE3 0.00 -0.06 0.01 -0.04 2.99 2.90 2c2bB1 ALA 466 H 0.01 0.16 0.08 -0.55 8.40 8.11 2c2bB1 ALA 466 HA 0.02 0.19 0.55 -0.75 4.34 4.34 2c2bB1 ALA 466 HB3 0.02 0.02 0.16 -0.04 1.41 1.57 2c2bB1 ASP 467 H 0.02 0.53 -0.50 -0.55 8.40 7.91 2c2bB1 ASP 467 HA 0.07 0.19 0.90 -0.75 4.63 5.03 2c2bB1 ASP 467 HB2 0.03 0.06 -0.10 -0.04 2.71 2.66 2c2bB1 ASP 467 HB3 0.02 -0.03 0.05 -0.04 2.70 2.70 2c2bB1 PHE 468 H 0.20 0.22 0.14 -0.55 8.34 8.35 2c2bB1 PHE 468 HA 0.00 0.14 0.34 -0.75 4.62 4.35 2c2bB1 PHE 468 HB2 0.00 0.07 0.11 -0.04 3.15 3.30 2c2bB1 PHE 468 HB3 0.00 -0.04 0.16 -0.04 3.06 3.14 2c2bB1 PHE 468 HD2 0.00 -0.01 -0.05 -0.04 7.28 7.18 2c2bB1 PHE 468 HE2 0.01 0.03 -0.04 -0.04 7.38 7.34 2c2bB1 PHE 468 HZ 0.01 0.04 -0.03 -0.04 7.32 7.30 2c2bB1 GLY 469 H 0.14 0.11 -0.01 -0.55 8.43 8.12 2c2bB1 GLY 469 HA2 -0.11 0.11 0.39 -0.51 4.01 3.89 2c2bB1 GLY 469 HA3 0.02 0.08 0.28 -0.51 4.01 3.88 2c2bB1 ALA 470 H -0.02 0.04 -0.35 -0.55 8.40 7.53 2c2bB1 ALA 470 HA -0.03 0.10 0.52 -0.75 4.34 4.17 2c2bB1 ALA 470 HB3 -0.01 0.03 0.08 -0.04 1.41 1.47 2c2bB1 VAL 471 H -0.07 0.50 0.01 -0.55 8.24 8.13 2c2bB1 VAL 471 HA -0.06 0.05 0.43 -0.75 4.13 3.80 2c2bB1 VAL 471 HB -0.12 0.05 0.16 -0.04 2.12 2.18 2c2bB1 VAL 471 HG13 -0.06 -0.00 -0.09 -0.04 0.97 0.78 2c2bB1 VAL 471 HG23 -0.01 0.02 0.05 -0.04 0.95 0.96 2c2bB1 MET 472 H -0.29 0.48 -0.22 -0.55 8.47 7.90 2c2bB1 MET 472 HA -0.19 0.05 0.48 -0.75 4.52 4.12 2c2bB1 MET 472 HB2 -0.34 0.05 0.17 -0.04 2.15 1.99 2c2bB1 MET 472 HB3 -0.21 -0.01 -0.02 -0.04 2.03 1.75 2c2bB1 MET 472 HG2 -1.04 0.05 0.03 -0.04 2.63 1.63 2c2bB1 MET 472 HG3 -1.08 -0.06 -0.04 -0.04 2.56 1.33 2c2bB1 MET 472 HE3 -0.03 0.00 -0.02 -0.04 2.10 2.01 2c2bB1 ASP 473 H -0.10 0.48 -0.05 -0.55 8.40 8.19 2c2bB1 ASP 473 HA -0.04 0.01 0.42 -0.75 4.63 4.27 2c2bB1 ASP 473 HB2 -0.04 0.06 0.19 -0.04 2.71 2.89 2c2bB1 ASP 473 HB3 -0.02 -0.01 0.04 -0.04 2.70 2.67 2c2bB1 VAL 474 H -0.04 0.46 -0.21 -0.55 8.24 7.90 2c2bB1 VAL 474 HA -0.00 0.06 0.56 -0.75 4.13 4.00 2c2bB1 VAL 474 HB -0.03 0.10 0.13 -0.04 2.12 2.27 2c2bB1 VAL 474 HG13 -0.02 -0.00 -0.11 -0.04 0.97 0.79 2c2bB1 VAL 474 HG23 -0.02 0.03 0.02 -0.04 0.95 0.94 2c2bB1 LEU 475 H -0.03 0.43 -0.12 -0.55 8.37 8.11 2c2bB1 LEU 475 HA 0.08 0.04 0.45 -0.75 4.35 4.17 2c2bB1 LEU 475 HB2 -0.04 0.07 0.25 -0.04 1.64 1.89 2c2bB1 LEU 475 HB3 0.03 -0.05 0.02 -0.04 1.64 1.60 2c2bB1 LEU 475 HG -0.02 0.06 0.09 -0.04 1.64 1.72 2c2bB1 LEU 475 HD13 -0.03 -0.03 -0.04 -0.04 0.93 0.79 2c2bB1 LEU 475 HD23 0.03 -0.01 0.02 -0.04 0.89 0.89 2c2bB1 LYS 476 H -0.01 0.74 -0.01 -0.55 8.42 8.58 2c2bB1 LYS 476 HA 0.00 0.02 0.43 -0.75 4.32 4.02 2c2bB1 LYS 476 HB2 -0.02 0.04 0.13 -0.04 1.87 1.99 2c2bB1 LYS 476 HB3 -0.01 -0.01 -0.03 -0.04 1.79 1.70 2c2bB1 LYS 476 HG2 -0.01 -0.02 0.02 -0.04 1.46 1.41 2c2bB1 LYS 476 HG3 -0.04 0.05 -0.02 -0.04 1.46 1.42 2c2bB1 LYS 476 HD2 -0.01 0.01 -0.03 -0.04 1.69 1.63 2c2bB1 LYS 476 HD3 -0.01 -0.03 -0.03 -0.04 1.68 1.58 2c2bB1 LYS 476 HE2 -0.05 -0.05 -0.13 -0.04 2.99 2.72 2c2bB1 LYS 476 HE3 -0.03 0.01 -0.08 -0.04 2.99 2.86 2c2bB1 SER 477 H 0.02 0.40 -0.25 -0.55 8.46 8.09 2c2bB1 SER 477 HA 0.01 0.05 0.50 -0.75 4.49 4.30 2c2bB1 SER 477 HB2 0.03 -0.02 0.06 -0.04 3.95 3.98 2c2bB1 SER 477 HB3 0.01 -0.06 0.11 -0.04 3.93 3.95 2c2bB1 TYR 478 H 0.14 0.27 -0.31 -0.55 8.29 7.84 2c2bB1 TYR 478 HA -0.00 0.10 0.68 -0.75 4.56 4.59 2c2bB1 TYR 478 HB2 -0.00 -0.01 0.10 -0.04 3.06 3.10 2c2bB1 TYR 478 HB3 -0.01 0.06 0.19 -0.04 2.98 3.18 2c2bB1 TYR 478 HD2 0.00 -0.00 0.01 -0.04 7.15 7.12 2c2bB1 TYR 478 HE2 0.01 -0.02 -0.01 -0.04 6.85 6.79 2c2bB1 LEU 479 H 0.03 0.50 0.01 -0.55 8.37 8.36 2c2bB1 LEU 479 HA -0.27 0.09 0.51 -0.75 4.35 3.93 2c2bB1 LEU 479 HB2 -0.02 0.02 0.11 -0.04 1.64 1.71 2c2bB1 LEU 479 HB3 -0.05 -0.05 0.07 -0.04 1.64 1.57 2c2bB1 LEU 479 HG 0.09 0.10 0.08 -0.04 1.64 1.87 2c2bB1 LEU 479 HD13 0.03 -0.04 -0.05 -0.04 0.93 0.82 2c2bB1 LEU 479 HD23 -0.02 -0.01 0.00 -0.04 0.89 0.82 2c2bB1 GLY 480 H -0.04 0.24 -0.36 -0.55 8.43 7.72 2c2bB1 GLY 480 HA2 -0.04 -0.01 0.53 -0.51 4.01 3.98 2c2bB1 GLY 480 HA3 -0.03 -0.05 0.27 -0.51 4.01 3.70 2c2bB1 SER 481 H -0.10 0.14 -0.60 -0.55 8.46 7.36 2c2bB1 SER 481 HA -0.04 -0.11 0.27 -0.75 4.49 3.86 2c2bB1 SER 481 HB2 -0.14 0.16 0.12 -0.04 3.95 4.05 2c2bB1 SER 481 HB3 -0.03 -0.14 0.08 -0.04 3.93 3.79