============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 69 rings ring int. center anis. iso. PHE 5 1.000 21.451 56.637 60.189 -99.200 -91.000 PHE 37 1.000 6.477 69.375 76.585 -99.200 -91.000 PHE 60 1.000 33.036 92.033 78.782 -99.200 -91.000 TYR 62 0.840 32.913 100.403 70.845 -99.200 -91.000 PHE 83 1.000 28.976 80.350 70.581 -99.200 -91.000 TYR 85 0.840 27.059 75.865 79.320 -99.200 -91.000 TYR 88 0.840 17.274 78.554 75.446 -99.200 -91.000 HIS 93 0.900 13.850 75.303 77.299 -99.200 -91.000 HIS 108 0.900 41.151 92.656 72.489 -99.200 -91.000 PHE 114 1.000 31.895 87.223 82.781 -99.200 -91.000 PHE 115 1.000 33.681 87.460 87.654 -99.200 -91.000 PHE 118 1.000 28.487 90.514 80.370 -99.200 -91.000 PHE 138 1.000 36.555 73.543 88.846 -99.200 -91.000 PHE 146 1.000 18.380 91.115 81.163 -99.200 -91.000 PHE 205 1.000 18.817 64.253 72.603 -99.200 -91.000 TRP 215 1.040 13.185 56.193 85.274 -99.200 -91.000 TRP6 215 1.020 15.499 55.993 84.795 -99.200 -91.000 TYR 222 0.840 19.519 64.955 86.701 -99.200 -91.000 PHE 226 1.000 24.802 63.312 97.390 -99.200 -91.000 PHE 228 1.000 22.780 57.304 92.387 -99.200 -91.000 TRP 234 1.040 20.874 60.491 83.962 -99.200 -91.000 TRP6 234 1.020 20.507 58.171 83.925 -99.200 -91.000 TYR 245 0.840 16.115 50.520 68.574 -99.200 -91.000 PHE 257 1.000 17.823 55.394 78.807 -99.200 -91.000 PHE 258 1.000 13.734 52.951 81.190 -99.200 -91.000 TRP 264 1.040 26.723 49.030 77.258 -99.200 -91.000 TRP6 264 1.020 26.058 49.869 75.142 -99.200 -91.000 TRP 266 1.040 26.691 48.715 82.022 -99.200 -91.000 TRP6 266 1.020 27.004 50.728 80.798 -99.200 -91.000 TRP 285 1.040 37.775 56.749 79.148 -99.200 -91.000 TRP6 285 1.020 36.940 54.905 77.943 -99.200 -91.000 TYR 290 0.840 46.349 57.261 78.096 -99.200 -91.000 HIS 296 0.900 37.047 56.221 84.078 -99.200 -91.000 TYR 305 0.840 41.354 67.043 71.114 -99.200 -91.000 HIS 312 0.900 35.030 61.367 86.836 -99.200 -91.000 PHE 326 1.000 19.919 52.009 83.201 -99.200 -91.000 PHE 337 1.000 6.016 50.447 74.003 -99.200 -91.000 TRP 343 1.040 3.522 56.813 78.650 -99.200 -91.000 TRP6 343 1.020 5.623 55.857 78.140 -99.200 -91.000 PHE 347 1.000 7.774 59.655 83.212 -99.200 -91.000 PHE 352 1.000 17.644 56.296 100.586 -99.200 -91.000 PHE 353 1.000 14.765 59.140 103.197 -99.200 -91.000 PHE 354 1.000 7.862 54.830 102.927 -99.200 -91.000 TYR 356 0.840 18.231 50.460 101.125 -99.200 -91.000 PHE 358 1.000 19.295 47.794 110.822 -99.200 -91.000 TYR 359 0.840 16.891 54.222 105.638 -99.200 -91.000 TYR 365 0.840 24.076 68.954 114.081 -99.200 -91.000 HIS 373 0.900 24.773 74.397 107.312 -99.200 -91.000 TRP 376 1.040 30.485 71.942 108.888 -99.200 -91.000 TRP6 376 1.020 32.380 70.514 108.865 -99.200 -91.000 HIS 401 0.900 20.001 53.682 97.039 -99.200 -91.000 PHE 403 1.000 16.640 60.547 98.707 -99.200 -91.000 PHE 407 1.000 15.354 64.914 103.494 -99.200 -91.000 TYR 411 0.840 15.382 73.645 114.358 -99.200 -91.000 TYR 419 0.840 25.974 74.349 117.583 -99.200 -91.000 TYR 426 0.840 18.404 66.619 112.688 -99.200 -91.000 HIS 429 0.900 8.480 59.932 114.956 -99.200 -91.000 TYR 453 0.840 22.023 78.804 108.563 -99.200 -91.000 TYR 458 0.840 18.485 60.859 106.348 -99.200 -91.000 PHE 463 1.000 24.336 46.585 108.296 -99.200 -91.000 HIS 475 0.900 30.426 52.121 116.077 -99.200 -91.000 PHE 481 1.000 32.301 61.612 106.066 -99.200 -91.000 PHE 488 1.000 39.726 69.417 103.948 -99.200 -91.000 TYR 492 0.840 35.418 73.897 107.031 -99.200 -91.000 HIS 495 0.900 35.124 70.363 117.727 -99.200 -91.000 PHE 498 1.000 32.315 76.036 110.691 -99.200 -91.000 PHE 504 1.000 23.112 51.207 112.141 -99.200 -91.000 TYR 508 0.840 11.643 50.284 114.481 -99.200 -91.000 PHE 515 1.000 9.107 58.624 106.461 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2o1pB1 SER 3 HA 0.07 -0.04 0.20 -0.75 4.49 3.96 2o1pB1 SER 3 HB2 0.08 -0.03 0.00 -0.04 3.95 3.96 2o1pB1 SER 3 HB3 0.09 -0.00 0.07 -0.04 3.93 4.05 2o1pB1 GLN 4 H 0.22 0.08 0.10 -0.55 8.47 8.32 2o1pB1 GLN 4 HA 0.01 0.14 0.62 -0.75 4.36 4.37 2o1pB1 GLN 4 HB2 -0.06 0.02 0.13 -0.04 2.15 2.21 2o1pB1 GLN 4 HB3 -0.19 -0.10 0.03 -0.04 2.02 1.71 2o1pB1 GLN 4 HG2 -0.01 0.02 0.01 -0.04 2.40 2.38 2o1pB1 GLN 4 HG3 -0.04 0.02 0.04 -0.04 2.39 2.36 2o1pB1 GLN 4 HE21 -0.03 0.03 0.07 -0.04 6.97 7.00 2o1pB1 GLN 4 HE22 -0.01 0.04 0.05 -0.04 7.69 7.72 2o1pB1 LYS 5 H -0.05 0.13 0.18 -0.55 8.42 8.12 2o1pB1 LYS 5 HA -0.01 0.16 0.33 -0.75 4.32 4.05 2o1pB1 LYS 5 HB2 -0.02 0.06 0.13 -0.04 1.87 2.00 2o1pB1 LYS 5 HB3 -0.02 -0.02 0.14 -0.04 1.79 1.85 2o1pB1 LYS 5 HG2 -0.06 -0.12 0.12 -0.04 1.46 1.36 2o1pB1 LYS 5 HG3 -0.07 0.17 -0.11 -0.04 1.46 1.40 2o1pB1 LYS 5 HD2 -0.03 0.04 -0.04 -0.04 1.69 1.61 2o1pB1 LYS 5 HD3 -0.02 -0.05 0.03 -0.04 1.68 1.60 2o1pB1 LYS 5 HE2 -0.02 -0.07 0.01 -0.04 2.99 2.87 2o1pB1 LYS 5 HE3 -0.04 -0.07 0.04 -0.04 2.99 2.89 2o1pB1 VAL 6 H -0.26 -0.03 -0.40 -0.55 8.24 7.00 2o1pB1 VAL 6 HA -0.16 0.20 0.23 -0.75 4.13 3.65 2o1pB1 VAL 6 HB -0.30 -0.04 -0.31 -0.04 2.12 1.44 2o1pB1 VAL 6 HG13 -0.17 -0.00 -0.17 -0.04 0.97 0.58 2o1pB1 VAL 6 HG23 -0.92 -0.02 -0.15 -0.04 0.95 -0.18 2o1pB1 PHE 7 H -0.16 0.33 -0.42 -0.55 8.34 7.53 2o1pB1 PHE 7 HA 0.00 0.28 0.87 -0.75 4.62 5.02 2o1pB1 PHE 7 HB2 -0.00 0.14 0.04 -0.04 3.15 3.28 2o1pB1 PHE 7 HB3 -0.01 -0.06 0.11 -0.04 3.06 3.05 2o1pB1 PHE 7 HD2 -0.00 0.21 0.02 -0.04 7.28 7.46 2o1pB1 PHE 7 HE2 0.01 -0.07 0.00 -0.04 7.38 7.28 2o1pB1 PHE 7 HZ 0.01 -0.06 -0.01 -0.04 7.32 7.21 2o1pB1 GLY 8 H 0.03 0.42 -0.23 -0.55 8.43 8.11 2o1pB1 GLY 8 HA2 0.04 0.25 0.38 -0.51 4.01 4.18 2o1pB1 GLY 8 HA3 0.07 0.03 0.28 -0.51 4.01 3.88 2o1pB1 ILE 9 H 0.06 0.20 0.06 -0.55 8.25 8.02 2o1pB1 ILE 9 HA 0.05 0.10 0.25 -0.75 4.18 3.83 2o1pB1 ILE 9 HB 0.05 -0.02 0.08 -0.04 1.89 1.95 2o1pB1 ILE 9 HG12 0.08 0.10 -0.05 -0.04 1.49 1.58 2o1pB1 ILE 9 HG13 0.07 0.06 -0.22 -0.04 1.21 1.08 2o1pB1 ILE 9 HG23 0.05 0.01 -0.22 -0.04 0.93 0.73 2o1pB1 ILE 9 HD13 0.08 -0.02 -0.09 -0.04 0.88 0.82 2o1pB1 THR 10 H 0.05 0.17 -0.33 -0.55 8.28 7.62 2o1pB1 THR 10 HA 0.01 0.15 0.77 -0.75 4.39 4.56 2o1pB1 THR 10 HB -0.02 -0.04 0.16 -0.04 4.32 4.38 2o1pB1 THR 10 HG23 0.00 -0.03 -0.18 -0.04 1.22 0.97 2o1pB1 GLY 11 H 0.06 0.26 -0.17 -0.55 8.43 8.03 2o1pB1 GLY 11 HA2 0.06 0.04 0.29 -0.51 4.01 3.89 2o1pB1 GLY 11 HA3 -0.02 0.00 0.49 -0.51 4.01 3.97 2o1pB1 PRO 12 HA -0.09 0.16 0.49 -0.51 4.44 4.49 2o1pB1 PRO 12 HB2 -0.19 -0.15 -0.21 -0.04 2.28 1.68 2o1pB1 PRO 12 HB3 -0.17 0.10 0.03 -0.04 2.02 1.93 2o1pB1 PRO 12 HG2 -0.40 -0.08 0.02 -0.04 2.03 1.52 2o1pB1 PRO 12 HG3 -0.69 0.06 0.08 -0.04 2.03 1.44 2o1pB1 PRO 12 HD2 -0.16 0.05 0.15 -0.04 3.68 3.69 2o1pB1 PRO 12 HD3 -0.18 0.09 0.23 -0.04 3.65 3.76 2o1pB1 VAL 13 H -0.36 0.63 0.43 -0.55 8.24 8.39 2o1pB1 VAL 13 HA -0.16 0.16 0.90 -0.75 4.13 4.27 2o1pB1 VAL 13 HB -0.94 0.04 0.17 -0.04 2.12 1.34 2o1pB1 VAL 13 HG13 -0.07 -0.04 -0.07 -0.04 0.97 0.75 2o1pB1 VAL 13 HG23 -0.16 0.01 0.03 -0.04 0.95 0.78 2o1pB1 SER 14 H -0.32 0.49 0.27 -0.55 8.46 8.35 2o1pB1 SER 14 HA -0.06 0.09 0.77 -0.75 4.49 4.54 2o1pB1 SER 14 HB2 0.04 0.11 -0.07 -0.04 3.95 3.99 2o1pB1 SER 14 HB3 0.14 0.02 0.02 -0.04 3.93 4.07 2o1pB1 THR 15 H -0.04 0.17 0.11 -0.55 8.28 7.97 2o1pB1 THR 15 HA -0.02 0.18 0.70 -0.75 4.39 4.50 2o1pB1 THR 15 HB -0.05 -0.01 0.14 -0.04 4.32 4.36 2o1pB1 THR 15 HG23 -0.19 0.03 -0.04 -0.04 1.22 0.99 2o1pB1 VAL 16 H 0.04 0.02 -0.29 -0.55 8.24 7.46 2o1pB1 VAL 16 HA 0.03 0.04 0.36 -0.75 4.13 3.81 2o1pB1 VAL 16 HB 0.06 0.01 0.01 -0.04 2.12 2.16 2o1pB1 VAL 16 HG13 0.04 0.05 -0.04 -0.04 0.97 0.98 2o1pB1 VAL 16 HG23 0.02 -0.01 0.02 -0.04 0.95 0.94 2o1pB1 GLY 17 H 0.04 0.04 0.13 -0.55 8.43 8.09 2o1pB1 GLY 17 HA2 0.06 0.36 0.42 -0.51 4.01 4.34 2o1pB1 GLY 17 HA3 0.05 0.00 0.34 -0.51 4.01 3.89 2o1pB1 ALA 18 H 0.05 0.23 0.18 -0.55 8.40 8.32 2o1pB1 ALA 18 HA 0.07 -0.00 0.55 -0.75 4.34 4.20 2o1pB1 ALA 18 HB3 0.05 -0.03 0.10 -0.04 1.41 1.50 2o1pB1 THR 19 H 0.06 0.05 0.22 -0.55 8.28 8.06 2o1pB1 THR 19 HA 0.03 0.27 0.74 -0.75 4.39 4.69 2o1pB1 THR 19 HB 0.03 -0.07 0.22 -0.04 4.32 4.46 2o1pB1 THR 19 HG23 0.04 0.07 0.06 -0.04 1.22 1.35 2o1pB1 ALA 20 H 0.02 0.23 0.17 -0.55 8.40 8.28 2o1pB1 ALA 20 HA 0.02 0.12 0.52 -0.75 4.34 4.25 2o1pB1 ALA 20 HB3 0.01 0.04 0.12 -0.04 1.41 1.55 2o1pB1 ALA 21 H 0.02 0.11 -0.08 -0.55 8.40 7.91 2o1pB1 ALA 21 HA -0.01 0.13 0.47 -0.75 4.34 4.17 2o1pB1 ALA 21 HB3 0.01 0.05 0.08 -0.04 1.41 1.50 2o1pB1 GLU 22 H 0.04 0.02 -0.21 -0.55 8.60 7.90 2o1pB1 GLU 22 HA -0.02 0.14 0.58 -0.75 4.29 4.24 2o1pB1 GLU 22 HB2 0.08 -0.13 0.23 -0.04 2.09 2.23 2o1pB1 GLU 22 HB3 0.12 -0.05 0.07 -0.04 1.99 2.09 2o1pB1 GLU 22 HG2 0.38 0.06 0.05 -0.04 2.34 2.78 2o1pB1 GLU 22 HG3 0.16 0.01 0.03 -0.04 2.34 2.50 2o1pB1 ASN 23 H 0.03 0.74 -0.09 -0.55 8.53 8.66 2o1pB1 ASN 23 HA 0.03 -0.03 0.53 -0.75 4.76 4.53 2o1pB1 ASN 23 HB2 0.02 0.12 0.14 -0.04 2.88 3.11 2o1pB1 ASN 23 HB3 0.02 -0.00 0.04 -0.04 2.79 2.80 2o1pB1 ASN 23 HD21 0.03 0.03 -0.05 -0.04 7.03 6.99 2o1pB1 ASN 23 HD22 0.02 -0.00 -0.14 -0.04 7.74 7.58 2o1pB1 LYS 24 H 0.01 0.42 -0.28 -0.55 8.42 8.01 2o1pB1 LYS 24 HA 0.02 0.06 0.59 -0.75 4.32 4.23 2o1pB1 LYS 24 HB2 0.00 0.06 0.13 -0.04 1.87 2.02 2o1pB1 LYS 24 HB3 -0.01 0.11 0.16 -0.04 1.79 2.01 2o1pB1 LYS 24 HG2 0.01 -0.00 -0.12 -0.04 1.46 1.30 2o1pB1 LYS 24 HG3 0.01 -0.04 0.08 -0.04 1.46 1.47 2o1pB1 LYS 24 HD2 0.00 -0.01 0.01 -0.04 1.69 1.65 2o1pB1 LYS 24 HD3 -0.01 0.01 0.01 -0.04 1.68 1.65 2o1pB1 LYS 24 HE2 -0.01 0.03 -0.01 -0.04 2.99 2.97 2o1pB1 LYS 24 HE3 0.01 -0.03 -0.00 -0.04 2.99 2.92 2o1pB1 LEU 25 H -0.03 0.45 -0.08 -0.55 8.37 8.17 2o1pB1 LEU 25 HA 0.10 0.07 0.47 -0.75 4.35 4.24 2o1pB1 LEU 25 HB2 -0.19 0.05 0.18 -0.04 1.64 1.63 2o1pB1 LEU 25 HB3 -0.03 -0.04 0.00 -0.04 1.64 1.53 2o1pB1 LEU 25 HG -0.20 0.05 0.08 -0.04 1.64 1.53 2o1pB1 LEU 25 HD13 -0.98 -0.00 -0.03 -0.04 0.93 -0.13 2o1pB1 LEU 25 HD23 -0.27 0.01 0.01 -0.04 0.89 0.59 2o1pB1 ASN 26 H 0.05 0.42 -0.28 -0.55 8.53 8.17 2o1pB1 ASN 26 HA -0.00 0.01 0.51 -0.75 4.76 4.53 2o1pB1 ASN 26 HB2 0.05 0.03 0.16 -0.04 2.88 3.07 2o1pB1 ASN 26 HB3 0.02 0.19 0.13 -0.04 2.79 3.09 2o1pB1 ASN 26 HD21 -0.03 0.01 0.03 -0.04 7.03 7.01 2o1pB1 ASN 26 HD22 -0.01 0.12 -0.13 -0.04 7.74 7.68 2o1pB1 ASP 27 H 0.03 0.42 -0.23 -0.55 8.40 8.07 2o1pB1 ASP 27 HA -0.01 0.02 0.51 -0.75 4.63 4.40 2o1pB1 ASP 27 HB2 0.03 0.19 0.26 -0.04 2.71 3.15 2o1pB1 ASP 27 HB3 0.01 -0.04 0.04 -0.04 2.70 2.67 2o1pB1 SER 28 H 0.11 0.44 -0.16 -0.55 8.46 8.31 2o1pB1 SER 28 HA 0.08 0.02 0.46 -0.75 4.49 4.30 2o1pB1 SER 28 HB2 0.32 -0.07 0.08 -0.04 3.95 4.23 2o1pB1 SER 28 HB3 0.13 0.02 0.11 -0.04 3.93 4.15 2o1pB1 LEU 29 H -0.08 0.43 -0.23 -0.55 8.37 7.94 2o1pB1 LEU 29 HA -1.13 0.00 0.49 -0.75 4.35 2.96 2o1pB1 LEU 29 HB2 -1.70 0.01 0.12 -0.04 1.64 0.03 2o1pB1 LEU 29 HB3 -0.44 0.11 0.19 -0.04 1.64 1.46 2o1pB1 LEU 29 HG -0.40 0.03 -0.34 -0.04 1.64 0.88 2o1pB1 LEU 29 HD13 -0.89 -0.00 0.01 -0.04 0.93 0.01 2o1pB1 LEU 29 HD23 -0.43 -0.01 -0.15 -0.04 0.89 0.26 2o1pB1 ILE 30 H -0.12 0.51 -0.14 -0.55 8.25 7.95 2o1pB1 ILE 30 HA 0.01 0.05 0.46 -0.75 4.18 3.94 2o1pB1 ILE 30 HB -0.03 0.16 0.20 -0.04 1.89 2.17 2o1pB1 ILE 30 HG12 0.00 -0.02 0.04 -0.04 1.49 1.46 2o1pB1 ILE 30 HG13 -0.06 0.16 0.11 -0.04 1.21 1.37 2o1pB1 ILE 30 HG23 -0.02 -0.01 -0.07 -0.04 0.93 0.79 2o1pB1 ILE 30 HD13 -0.04 -0.02 0.01 -0.04 0.88 0.79 2o1pB1 GLN 31 H -0.01 0.50 -0.08 -0.55 8.47 8.34 2o1pB1 GLN 31 HA 0.03 0.01 0.40 -0.75 4.36 4.05 2o1pB1 GLN 31 HB2 0.03 0.12 0.18 -0.04 2.15 2.44 2o1pB1 GLN 31 HB3 0.05 0.03 0.06 -0.04 2.02 2.12 2o1pB1 GLN 31 HG2 0.03 -0.01 0.02 -0.04 2.40 2.39 2o1pB1 GLN 31 HG3 0.03 -0.02 0.04 -0.04 2.39 2.40 2o1pB1 GLN 31 HE21 -0.01 -0.01 -0.00 -0.04 6.97 6.91 2o1pB1 GLN 31 HE22 0.01 0.00 0.01 -0.04 7.69 7.66 2o1pB1 GLU 32 H 0.02 0.77 -0.10 -0.55 8.60 8.74 2o1pB1 GLU 32 HA 0.07 -0.01 0.45 -0.75 4.29 4.05 2o1pB1 GLU 32 HB2 0.21 -0.06 0.11 -0.04 2.09 2.30 2o1pB1 GLU 32 HB3 0.06 0.15 0.15 -0.04 1.99 2.31 2o1pB1 GLU 32 HG2 0.51 -0.10 -0.24 -0.04 2.34 2.47 2o1pB1 GLU 32 HG3 0.18 0.08 -0.25 -0.04 2.34 2.31 2o1pB1 LEU 33 H -0.07 0.58 -0.15 -0.55 8.37 8.19 2o1pB1 LEU 33 HA -0.24 0.06 0.47 -0.75 4.35 3.89 2o1pB1 LEU 33 HB2 -0.04 0.08 0.17 -0.04 1.64 1.81 2o1pB1 LEU 33 HB3 -0.37 -0.07 -0.03 -0.04 1.64 1.13 2o1pB1 LEU 33 HG -0.21 0.06 0.01 -0.04 1.64 1.46 2o1pB1 LEU 33 HD13 -0.19 -0.01 -0.05 -0.04 0.93 0.63 2o1pB1 LEU 33 HD23 -0.41 -0.01 -0.12 -0.04 0.89 0.31 2o1pB1 LYS 34 H 0.08 0.57 -0.19 -0.55 8.42 8.33 2o1pB1 LYS 34 HA 0.23 -0.05 0.52 -0.75 4.32 4.26 2o1pB1 LYS 34 HB2 0.07 0.15 0.25 -0.04 1.87 2.30 2o1pB1 LYS 34 HB3 0.07 -0.04 -0.03 -0.04 1.79 1.75 2o1pB1 LYS 34 HG2 0.23 -0.05 0.03 -0.04 1.46 1.62 2o1pB1 LYS 34 HG3 0.11 0.06 -0.03 -0.04 1.46 1.57 2o1pB1 LYS 34 HD2 0.01 0.01 -0.01 -0.04 1.69 1.67 2o1pB1 LYS 34 HD3 -0.03 -0.03 -0.02 -0.04 1.68 1.56 2o1pB1 LYS 34 HE2 -0.04 -0.01 -0.07 -0.04 2.99 2.83 2o1pB1 LYS 34 HE3 -0.06 -0.03 -0.02 -0.04 2.99 2.83 2o1pB1 LYS 35 H 0.02 0.64 0.00 -0.55 8.42 8.53 2o1pB1 LYS 35 HA 0.01 -0.00 0.43 -0.75 4.32 4.00 2o1pB1 LYS 35 HB2 0.03 -0.01 0.14 -0.04 1.87 1.98 2o1pB1 LYS 35 HB3 0.02 0.12 0.14 -0.04 1.79 2.03 2o1pB1 LYS 35 HG2 0.01 0.02 0.02 -0.04 1.46 1.48 2o1pB1 LYS 35 HG3 0.02 -0.05 0.07 -0.04 1.46 1.45 2o1pB1 LYS 35 HD2 0.05 -0.04 -0.00 -0.04 1.69 1.66 2o1pB1 LYS 35 HD3 0.04 0.02 -0.04 -0.04 1.68 1.66 2o1pB1 LYS 35 HE2 0.03 0.01 -0.01 -0.04 2.99 2.98 2o1pB1 LYS 35 HE3 0.03 -0.01 0.01 -0.04 2.99 2.97 2o1pB1 GLU 36 H -0.07 0.26 -0.55 -0.55 8.60 7.70 2o1pB1 GLU 36 HA -0.06 0.10 0.61 -0.75 4.29 4.19 2o1pB1 GLU 36 HB2 -0.21 0.03 0.12 -0.04 2.09 1.98 2o1pB1 GLU 36 HB3 -0.18 -0.03 0.16 -0.04 1.99 1.90 2o1pB1 GLU 36 HG2 -0.05 0.03 -0.03 -0.04 2.34 2.24 2o1pB1 GLU 36 HG3 -0.20 -0.04 -0.03 -0.04 2.34 2.02 2o1pB1 GLY 37 H -0.05 0.42 -0.48 -0.55 8.43 7.77 2o1pB1 GLY 37 HA2 -0.04 0.02 0.32 -0.51 4.01 3.81 2o1pB1 GLY 37 HA3 -0.07 0.01 0.39 -0.51 4.01 3.84 2o1pB1 SER 38 H -0.23 0.48 -0.08 -0.55 8.46 8.09 2o1pB1 SER 38 HA -0.29 0.05 0.44 -0.75 4.49 3.94 2o1pB1 SER 38 HB2 -0.45 0.03 0.06 -0.04 3.95 3.54 2o1pB1 SER 38 HB3 -0.98 -0.06 -0.05 -0.04 3.93 2.79 2o1pB1 PHE 39 H -0.09 0.08 -0.12 -0.55 8.34 7.66 2o1pB1 PHE 39 HA -0.12 0.23 0.76 -0.75 4.62 4.72 2o1pB1 PHE 39 HB2 -0.06 -0.05 -0.00 -0.04 3.15 2.99 2o1pB1 PHE 39 HB3 -0.07 0.07 -0.01 -0.04 3.06 3.01 2o1pB1 PHE 39 HD2 -0.09 0.02 -0.04 -0.04 7.28 7.13 2o1pB1 PHE 39 HE2 -0.09 0.04 -0.07 -0.04 7.38 7.22 2o1pB1 PHE 39 HZ -0.10 -0.04 -0.03 -0.04 7.32 7.10 2o1pB1 GLU 40 H 0.06 0.17 0.11 -0.55 8.60 8.39 2o1pB1 GLU 40 HA 0.05 0.17 0.83 -0.75 4.29 4.58 2o1pB1 GLU 40 HB2 0.07 -0.08 0.06 -0.04 2.09 2.10 2o1pB1 GLU 40 HB3 0.06 0.03 -0.15 -0.04 1.99 1.88 2o1pB1 GLU 40 HG2 0.04 0.03 -0.06 -0.04 2.34 2.31 2o1pB1 GLU 40 HG3 0.10 0.01 -0.31 -0.04 2.34 2.10 2o1pB1 THR 41 H 0.04 0.12 0.16 -0.55 8.28 8.05 2o1pB1 THR 41 HA 0.02 0.18 0.54 -0.75 4.39 4.37 2o1pB1 THR 41 HB 0.02 -0.03 0.16 -0.04 4.32 4.42 2o1pB1 THR 41 HG23 0.02 0.06 0.08 -0.04 1.22 1.34 2o1pB1 GLU 42 H 0.01 0.22 0.18 -0.55 8.60 8.46 2o1pB1 GLU 42 HA 0.04 0.16 0.37 -0.75 4.29 4.11 2o1pB1 GLU 42 HB2 0.02 0.07 0.13 -0.04 2.09 2.26 2o1pB1 GLU 42 HB3 0.00 0.05 0.14 -0.04 1.99 2.15 2o1pB1 GLU 42 HG2 0.02 -0.01 -0.41 -0.04 2.34 1.90 2o1pB1 GLU 42 HG3 0.01 0.05 -0.02 -0.04 2.34 2.34 2o1pB1 GLN 43 H 0.02 0.04 -0.31 -0.55 8.47 7.68 2o1pB1 GLN 43 HA 0.03 0.14 0.65 -0.75 4.36 4.42 2o1pB1 GLN 43 HB2 0.02 0.02 0.08 -0.04 2.15 2.22 2o1pB1 GLN 43 HB3 0.02 -0.02 0.03 -0.04 2.02 2.02 2o1pB1 GLN 43 HG2 0.01 0.04 -0.01 -0.04 2.40 2.40 2o1pB1 GLN 43 HG3 0.02 0.04 -0.14 -0.04 2.39 2.26 2o1pB1 GLN 43 HE21 0.02 0.03 0.01 -0.04 6.97 6.99 2o1pB1 GLN 43 HE22 0.02 0.00 -0.00 -0.04 7.69 7.67 2o1pB1 GLU 44 H 0.04 0.07 -0.13 -0.55 8.60 8.04 2o1pB1 GLU 44 HA 0.04 0.09 0.46 -0.75 4.29 4.13 2o1pB1 GLU 44 HB2 0.07 0.06 0.10 -0.04 2.09 2.28 2o1pB1 GLU 44 HB3 0.07 0.11 0.04 -0.04 1.99 2.17 2o1pB1 GLU 44 HG2 0.03 0.08 0.05 -0.04 2.34 2.47 2o1pB1 GLU 44 HG3 0.03 -0.14 0.08 -0.04 2.34 2.28 2o1pB1 THR 45 H 0.08 0.33 -0.35 -0.55 8.28 7.79 2o1pB1 THR 45 HA 0.17 0.08 0.46 -0.75 4.39 4.35 2o1pB1 THR 45 HB 0.08 0.08 0.11 -0.04 4.32 4.54 2o1pB1 THR 45 HG23 0.13 -0.00 -0.07 -0.04 1.22 1.24 2o1pB1 ALA 46 H 0.05 0.49 -0.14 -0.55 8.40 8.26 2o1pB1 ALA 46 HA 0.05 0.01 0.38 -0.75 4.34 4.02 2o1pB1 ALA 46 HB3 0.03 0.01 0.15 -0.04 1.41 1.56 2o1pB1 ASN 47 H 0.04 0.61 -0.19 -0.55 8.53 8.45 2o1pB1 ASN 47 HA 0.03 -0.02 0.39 -0.75 4.76 4.41 2o1pB1 ASN 47 HB2 0.03 0.13 0.09 -0.04 2.88 3.10 2o1pB1 ASN 47 HB3 0.03 0.01 0.02 -0.04 2.79 2.81 2o1pB1 ASN 47 HD21 0.02 -0.09 -0.11 -0.04 7.03 6.81 2o1pB1 ASN 47 HD22 0.03 0.02 -0.02 -0.04 7.74 7.72 2o1pB1 ARG 48 H 0.04 0.44 -0.24 -0.55 8.46 8.15 2o1pB1 ARG 48 HA -0.06 0.01 0.46 -0.75 4.34 4.00 2o1pB1 ARG 48 HB2 0.07 0.15 0.20 -0.04 1.90 2.28 2o1pB1 ARG 48 HB3 -0.22 -0.06 -0.00 -0.04 1.80 1.47 2o1pB1 ARG 48 HG2 -0.10 -0.05 0.02 -0.04 1.67 1.50 2o1pB1 ARG 48 HG3 0.02 0.18 0.09 -0.04 1.67 1.92 2o1pB1 ARG 48 HD2 0.16 -0.03 -0.04 -0.04 3.22 3.27 2o1pB1 ARG 48 HD3 -0.14 -0.08 -0.04 -0.04 3.22 2.92 2o1pB1 VAL 49 H 0.06 0.55 -0.05 -0.55 8.24 8.25 2o1pB1 VAL 49 HA 0.04 -0.02 0.35 -0.75 4.13 3.74 2o1pB1 VAL 49 HB 0.05 0.15 0.15 -0.04 2.12 2.43 2o1pB1 VAL 49 HG13 0.03 -0.02 -0.07 -0.04 0.97 0.88 2o1pB1 VAL 49 HG23 0.11 0.03 0.02 -0.04 0.95 1.07 2o1pB1 GLN 50 H 0.02 0.50 -0.32 -0.55 8.47 8.12 2o1pB1 GLN 50 HA 0.01 -0.01 0.45 -0.75 4.36 4.05 2o1pB1 GLN 50 HB2 0.03 0.11 0.19 -0.04 2.15 2.44 2o1pB1 GLN 50 HB3 0.04 -0.02 -0.04 -0.04 2.02 1.96 2o1pB1 GLN 50 HG2 0.02 -0.00 0.00 -0.04 2.40 2.38 2o1pB1 GLN 50 HG3 0.02 -0.03 -0.02 -0.04 2.39 2.33 2o1pB1 GLN 50 HE21 0.02 -0.01 -0.01 -0.04 6.97 6.93 2o1pB1 GLN 50 HE22 0.02 0.01 -0.01 -0.04 7.69 7.67 2o1pB1 VAL 51 H 0.01 0.82 0.11 -0.55 8.24 8.63 2o1pB1 VAL 51 HA 0.03 -0.04 0.46 -0.75 4.13 3.82 2o1pB1 VAL 51 HB -0.05 0.15 0.22 -0.04 2.12 2.40 2o1pB1 VAL 51 HG13 -0.20 -0.03 -0.10 -0.04 0.97 0.60 2o1pB1 VAL 51 HG23 0.17 0.04 0.03 -0.04 0.95 1.15 2o1pB1 LEU 52 H -0.08 0.65 -0.27 -0.55 8.37 8.13 2o1pB1 LEU 52 HA -0.13 -0.02 0.44 -0.75 4.35 3.90 2o1pB1 LEU 52 HB2 -0.05 0.16 0.05 -0.04 1.64 1.76 2o1pB1 LEU 52 HB3 -0.06 -0.06 -0.00 -0.04 1.64 1.48 2o1pB1 LEU 52 HG -0.21 0.11 -0.08 -0.04 1.64 1.42 2o1pB1 LEU 52 HD13 -0.22 -0.02 -0.13 -0.04 0.93 0.52 2o1pB1 LEU 52 HD23 -0.16 -0.02 -0.11 -0.04 0.89 0.56 2o1pB1 LYS 53 H -0.03 0.44 -0.17 -0.55 8.42 8.10 2o1pB1 LYS 53 HA -0.02 0.05 0.65 -0.75 4.32 4.24 2o1pB1 LYS 53 HB2 -0.00 0.07 0.14 -0.04 1.87 2.04 2o1pB1 LYS 53 HB3 -0.00 0.09 0.13 -0.04 1.79 1.96 2o1pB1 LYS 53 HG2 -0.00 -0.04 -0.03 -0.04 1.46 1.35 2o1pB1 LYS 53 HG3 -0.01 -0.02 0.10 -0.04 1.46 1.49 2o1pB1 LYS 53 HD2 0.00 -0.02 0.01 -0.04 1.69 1.64 2o1pB1 LYS 53 HD3 0.00 0.02 0.01 -0.04 1.68 1.67 2o1pB1 LYS 53 HE2 0.01 0.02 -0.03 -0.04 2.99 2.95 2o1pB1 LYS 53 HE3 0.00 -0.02 -0.02 -0.04 2.99 2.91 2o1pB1 ILE 54 H -0.04 0.48 -0.16 -0.55 8.25 7.99 2o1pB1 ILE 54 HA 0.00 0.06 0.55 -0.75 4.18 4.03 2o1pB1 ILE 54 HB -0.06 0.18 0.17 -0.04 1.89 2.14 2o1pB1 ILE 54 HG12 0.05 -0.04 0.00 -0.04 1.49 1.46 2o1pB1 ILE 54 HG13 0.04 0.15 0.04 -0.04 1.21 1.40 2o1pB1 ILE 54 HG23 0.12 -0.02 -0.11 -0.04 0.93 0.87 2o1pB1 ILE 54 HD13 0.18 -0.02 -0.04 -0.04 0.88 0.95 2o1pB1 LEU 55 H -0.14 0.44 -0.10 -0.55 8.37 8.02 2o1pB1 LEU 55 HA -0.09 0.05 0.34 -0.75 4.35 3.90 2o1pB1 LEU 55 HB2 -0.11 0.06 0.07 -0.04 1.64 1.62 2o1pB1 LEU 55 HB3 -0.02 -0.03 -0.05 -0.04 1.64 1.50 2o1pB1 LEU 55 HG -0.52 0.10 0.02 -0.04 1.64 1.20 2o1pB1 LEU 55 HD13 -0.28 -0.01 -0.15 -0.04 0.93 0.46 2o1pB1 LEU 55 HD23 -0.32 -0.01 -0.08 -0.04 0.89 0.44 2o1pB1 GLN 56 H -0.04 0.47 -0.22 -0.55 8.47 8.13 2o1pB1 GLN 56 HA 0.00 -0.01 0.49 -0.75 4.36 4.08 2o1pB1 GLN 56 HB2 -0.05 0.04 0.18 -0.04 2.15 2.28 2o1pB1 GLN 56 HB3 -0.03 0.10 0.18 -0.04 2.02 2.24 2o1pB1 GLN 56 HG2 -0.04 0.01 0.05 -0.04 2.40 2.39 2o1pB1 GLN 56 HG3 -0.01 0.01 -0.20 -0.04 2.39 2.14 2o1pB1 GLN 56 HE21 -0.03 0.39 0.21 -0.04 6.97 7.50 2o1pB1 GLN 56 HE22 -0.01 -0.06 -0.05 -0.04 7.69 7.54 2o1pB1 GLU 57 H -0.00 0.44 -0.28 -0.55 8.60 8.21 2o1pB1 GLU 57 HA 0.02 -0.00 0.36 -0.75 4.29 3.91 2o1pB1 GLU 57 HB2 0.01 0.13 0.23 -0.04 2.09 2.42 2o1pB1 GLU 57 HB3 0.01 -0.06 0.04 -0.04 1.99 1.94 2o1pB1 GLU 57 HG2 0.00 -0.06 0.08 -0.04 2.34 2.31 2o1pB1 GLU 57 HG3 -0.00 0.02 0.10 -0.04 2.34 2.42 2o1pB1 LEU 58 H 0.05 0.25 -0.57 -0.55 8.37 7.56 2o1pB1 LEU 58 HA 0.08 0.06 0.72 -0.75 4.35 4.46 2o1pB1 LEU 58 HB2 0.02 0.06 0.08 -0.04 1.64 1.76 2o1pB1 LEU 58 HB3 -0.05 -0.08 -0.01 -0.04 1.64 1.46 2o1pB1 LEU 58 HG -0.01 0.19 -0.10 -0.04 1.64 1.68 2o1pB1 LEU 58 HD13 -0.09 -0.02 -0.17 -0.04 0.93 0.60 2o1pB1 LEU 58 HD23 0.01 -0.02 -0.12 -0.04 0.89 0.73 2o1pB1 ALA 59 H 0.17 0.68 0.01 -0.55 8.40 8.72 2o1pB1 ALA 59 HA 0.45 -0.03 0.50 -0.75 4.34 4.50 2o1pB1 ALA 59 HB3 0.11 0.01 0.01 -0.04 1.41 1.51 2o1pB1 GLN 60 H 0.10 0.50 -0.17 -0.55 8.47 8.36 2o1pB1 GLN 60 HA 0.07 0.39 0.56 -0.75 4.36 4.62 2o1pB1 GLN 60 HB2 0.05 0.02 0.08 -0.04 2.15 2.26 2o1pB1 GLN 60 HB3 0.04 -0.07 -0.02 -0.04 2.02 1.94 2o1pB1 GLN 60 HG2 0.03 0.11 -0.06 -0.04 2.40 2.44 2o1pB1 GLN 60 HG3 0.03 0.07 -0.04 -0.04 2.39 2.40 2o1pB1 GLN 60 HE21 -0.00 -0.07 0.00 -0.04 6.97 6.86 2o1pB1 GLN 60 HE22 0.01 0.01 0.01 -0.04 7.69 7.68 2o1pB1 ARG 61 H 0.12 0.34 -0.22 -0.55 8.46 8.15 2o1pB1 ARG 61 HA 0.13 -0.01 0.41 -0.75 4.34 4.12 2o1pB1 ARG 61 HB2 0.07 0.22 0.22 -0.04 1.90 2.37 2o1pB1 ARG 61 HB3 0.14 0.06 0.15 -0.04 1.80 2.11 2o1pB1 ARG 61 HG2 0.08 -0.00 -0.03 -0.04 1.67 1.68 2o1pB1 ARG 61 HG3 0.11 -0.08 0.03 -0.04 1.67 1.69 2o1pB1 ARG 61 HD2 -0.00 -0.00 0.04 -0.04 3.22 3.21 2o1pB1 ARG 61 HD3 0.02 0.02 0.01 -0.04 3.22 3.24 2o1pB1 PHE 62 H 0.36 0.75 -0.14 -0.55 8.34 8.76 2o1pB1 PHE 62 HA 0.16 -0.05 0.37 -0.75 4.62 4.34 2o1pB1 PHE 62 HB2 0.51 0.02 0.09 -0.04 3.15 3.74 2o1pB1 PHE 62 HB3 0.22 0.19 0.19 -0.04 3.06 3.61 2o1pB1 PHE 62 HD2 0.01 0.01 -0.08 -0.04 7.28 7.19 2o1pB1 PHE 62 HE2 0.00 -0.03 -0.23 -0.04 7.38 7.09 2o1pB1 PHE 62 HZ 0.09 -0.06 -0.27 -0.04 7.32 7.04 2o1pB1 VAL 63 H 0.02 0.64 -0.14 -0.55 8.24 8.21 2o1pB1 VAL 63 HA -0.43 -0.10 0.30 -0.75 4.13 3.15 2o1pB1 VAL 63 HB -0.05 0.35 0.18 -0.04 2.12 2.56 2o1pB1 VAL 63 HG13 -0.08 -0.02 -0.31 -0.04 0.97 0.52 2o1pB1 VAL 63 HG23 -0.31 -0.03 0.02 -0.04 0.95 0.59 2o1pB1 TYR 64 H 0.18 0.59 -0.31 -0.55 8.29 8.20 2o1pB1 TYR 64 HA 0.01 0.06 0.33 -0.75 4.56 4.21 2o1pB1 TYR 64 HB2 0.02 0.07 0.04 -0.04 3.06 3.15 2o1pB1 TYR 64 HB3 0.04 0.10 0.18 -0.04 2.98 3.26 2o1pB1 TYR 64 HD2 0.03 0.02 -0.20 -0.04 7.15 6.95 2o1pB1 TYR 64 HE2 0.02 0.05 0.00 -0.04 6.85 6.88 2o1pB1 GLU 65 H 0.19 0.69 -0.05 -0.55 8.60 8.88 2o1pB1 GLU 65 HA -0.03 -0.03 0.37 -0.75 4.29 3.84 2o1pB1 GLU 65 HB2 0.18 0.18 0.15 -0.04 2.09 2.56 2o1pB1 GLU 65 HB3 0.11 -0.08 -0.03 -0.04 1.99 1.95 2o1pB1 GLU 65 HG2 0.18 -0.07 0.01 -0.04 2.34 2.43 2o1pB1 GLU 65 HG3 0.27 0.10 0.04 -0.04 2.34 2.71 2o1pB1 VAL 66 H -0.00 0.59 -0.09 -0.55 8.24 8.18 2o1pB1 VAL 66 HA 0.04 -0.01 0.44 -0.75 4.13 3.85 2o1pB1 VAL 66 HB -0.01 -0.04 0.03 -0.04 2.12 2.06 2o1pB1 VAL 66 HG13 -0.22 0.04 -0.08 -0.04 0.97 0.68 2o1pB1 VAL 66 HG23 0.02 -0.03 -0.03 -0.04 0.95 0.87 2o1pB1 SER 67 H -0.06 0.44 -0.38 -0.55 8.46 7.91 2o1pB1 SER 67 HA 0.02 0.03 0.30 -0.75 4.49 4.09 2o1pB1 SER 67 HB2 -0.17 0.18 0.16 -0.04 3.95 4.08 2o1pB1 SER 67 HB3 -0.09 -0.11 -0.04 -0.04 3.93 3.65 2o1pB1 LYS 68 H -0.23 0.46 -0.08 -0.55 8.42 8.02 2o1pB1 LYS 68 HA -0.13 -0.04 0.35 -0.75 4.32 3.75 2o1pB1 LYS 68 HB2 -0.11 0.15 0.11 -0.04 1.87 1.99 2o1pB1 LYS 68 HB3 -0.08 -0.06 0.02 -0.04 1.79 1.62 2o1pB1 LYS 68 HG2 -0.57 0.04 0.03 -0.04 1.46 0.92 2o1pB1 LYS 68 HG3 -0.44 -0.00 -0.04 -0.04 1.46 0.94 2o1pB1 LYS 68 HD2 -0.09 -0.02 -0.01 -0.04 1.69 1.52 2o1pB1 LYS 68 HD3 -0.05 -0.02 0.00 -0.04 1.68 1.58 2o1pB1 LYS 68 HE2 -0.22 0.05 -0.23 -0.04 2.99 2.54 2o1pB1 LYS 68 HE3 -0.03 -0.16 -0.04 -0.04 2.99 2.72 2o1pB1 LYS 69 H -0.04 0.37 -0.44 -0.55 8.42 7.76 2o1pB1 LYS 69 HA -0.01 0.01 0.41 -0.75 4.32 3.98 2o1pB1 LYS 69 HB2 0.02 0.12 0.15 -0.04 1.87 2.12 2o1pB1 LYS 69 HB3 0.02 -0.06 0.01 -0.04 1.79 1.72 2o1pB1 LYS 69 HG2 0.02 -0.06 0.01 -0.04 1.46 1.40 2o1pB1 LYS 69 HG3 0.01 -0.03 -0.01 -0.04 1.46 1.39 2o1pB1 LYS 69 HD2 0.05 0.20 -0.13 -0.04 1.69 1.76 2o1pB1 LYS 69 HD3 0.06 -0.07 -0.03 -0.04 1.68 1.60 2o1pB1 LYS 69 HE2 0.07 -0.03 -0.06 -0.04 2.99 2.92 2o1pB1 LYS 69 HE3 0.05 -0.03 -0.03 -0.04 2.99 2.93 2o1pB1 LYS 70 H -0.01 0.56 -0.05 -0.55 8.42 8.36 2o1pB1 LYS 70 HA -0.00 0.01 0.63 -0.75 4.32 4.20 2o1pB1 LYS 70 HB2 0.02 0.12 0.13 -0.04 1.87 2.09 2o1pB1 LYS 70 HB3 -0.02 -0.01 0.17 -0.04 1.79 1.89 2o1pB1 LYS 70 HG2 0.04 -0.03 0.09 -0.04 1.46 1.51 2o1pB1 LYS 70 HG3 0.02 -0.05 0.10 -0.04 1.46 1.48 2o1pB1 LYS 70 HD2 0.03 -0.07 -0.01 -0.04 1.69 1.60 2o1pB1 LYS 70 HD3 0.05 0.10 0.03 -0.04 1.68 1.83 2o1pB1 LYS 70 HE2 0.05 0.14 0.11 -0.04 2.99 3.25 2o1pB1 LYS 70 HE3 0.04 -0.08 0.04 -0.04 2.99 2.95 2o1pB1 ASN 71 H -0.03 0.20 -1.03 -0.55 8.53 7.13 2o1pB1 ASN 71 HA -0.03 0.04 0.36 -0.75 4.76 4.37 2o1pB1 ASN 71 HB2 -0.03 0.18 0.24 -0.04 2.88 3.22 2o1pB1 ASN 71 HB3 -0.03 -0.11 0.07 -0.04 2.79 2.68 2o1pB1 ASN 71 HD21 -0.01 -0.05 0.01 -0.04 7.03 6.95 2o1pB1 ASN 71 HD22 -0.02 -0.05 0.01 -0.04 7.74 7.64 2o1pB1 MET 72 H -0.07 0.26 0.12 -0.55 8.47 8.24 2o1pB1 MET 72 HA -0.07 0.08 0.34 -0.75 4.52 4.11 2o1pB1 MET 72 HB2 -0.12 0.06 -0.47 -0.04 2.15 1.58 2o1pB1 MET 72 HB3 -0.10 -0.08 -0.10 -0.04 2.03 1.70 2o1pB1 MET 72 HG2 -0.14 -0.13 0.09 -0.04 2.63 2.41 2o1pB1 MET 72 HG3 -0.14 0.39 -0.14 -0.04 2.56 2.62 2o1pB1 MET 72 HE3 -0.63 -0.00 -0.01 -0.04 2.10 1.42 2o1pB1 SER 73 H -0.05 0.13 0.10 -0.55 8.46 8.09 2o1pB1 SER 73 HA -0.02 0.15 0.59 -0.75 4.49 4.46 2o1pB1 SER 73 HB2 -0.01 -0.53 0.11 -0.04 3.95 3.47 2o1pB1 SER 73 HB3 -0.01 0.07 0.17 -0.04 3.93 4.11 2o1pB1 ASP 74 H 0.01 0.19 0.20 -0.55 8.40 8.26 2o1pB1 ASP 74 HA 0.01 0.18 0.43 -0.75 4.63 4.49 2o1pB1 ASP 74 HB2 0.10 0.08 0.12 -0.04 2.71 2.98 2o1pB1 ASP 74 HB3 0.04 0.00 0.17 -0.04 2.70 2.87 2o1pB1 GLY 75 H 0.03 -0.05 -0.25 -0.55 8.43 7.62 2o1pB1 GLY 75 HA2 0.06 0.20 0.69 -0.51 4.01 4.45 2o1pB1 GLY 75 HA3 0.03 0.05 0.25 -0.51 4.01 3.83 2o1pB1 MET 76 H 0.00 -0.02 -0.10 -0.55 8.47 7.81 2o1pB1 MET 76 HA 0.01 0.10 0.45 -0.75 4.52 4.32 2o1pB1 MET 76 HB2 -0.02 -0.04 0.11 -0.04 2.15 2.16 2o1pB1 MET 76 HB3 -0.04 -0.05 0.10 -0.04 2.03 2.00 2o1pB1 MET 76 HG2 -0.05 0.08 0.02 -0.04 2.63 2.64 2o1pB1 MET 76 HG3 -0.03 0.00 0.06 -0.04 2.56 2.56 2o1pB1 MET 76 HE3 -0.10 0.02 0.01 -0.04 2.10 1.99 2o1pB1 ALA 77 H -0.00 0.22 -0.51 -0.55 8.40 7.56 2o1pB1 ALA 77 HA -0.04 0.13 0.51 -0.75 4.34 4.19 2o1pB1 ALA 77 HB3 -0.31 0.05 0.01 -0.04 1.41 1.13 2o1pB1 ARG 78 H 0.19 0.20 -0.17 -0.55 8.46 8.12 2o1pB1 ARG 78 HA 0.22 0.15 0.52 -0.75 4.34 4.48 2o1pB1 ARG 78 HB2 0.06 0.00 0.10 -0.04 1.90 2.03 2o1pB1 ARG 78 HB3 0.19 0.03 0.12 -0.04 1.80 2.10 2o1pB1 ARG 78 HG2 0.08 0.16 0.04 -0.04 1.67 1.91 2o1pB1 ARG 78 HG3 0.05 -0.02 -0.29 -0.04 1.67 1.37 2o1pB1 ARG 78 HD2 0.03 -0.04 -0.00 -0.04 3.22 3.16 2o1pB1 ARG 78 HD3 0.01 -0.02 0.01 -0.04 3.22 3.18 2o1pB1 ASP 79 H 0.06 0.20 -0.38 -0.55 8.40 7.74 2o1pB1 ASP 79 HA 0.03 0.03 0.45 -0.75 4.63 4.39 2o1pB1 ASP 79 HB2 0.02 0.10 0.04 -0.04 2.71 2.84 2o1pB1 ASP 79 HB3 0.02 -0.02 -0.07 -0.04 2.70 2.60 2o1pB1 ALA 80 H 0.06 0.28 -0.58 -0.55 8.40 7.62 2o1pB1 ALA 80 HA 0.06 -0.01 0.40 -0.75 4.34 4.03 2o1pB1 ALA 80 HB3 0.10 0.07 0.09 -0.04 1.41 1.63 2o1pB1 GLY 81 H 0.05 0.20 -0.42 -0.55 8.43 7.71 2o1pB1 GLY 81 HA2 0.03 -0.00 0.27 -0.51 4.01 3.79 2o1pB1 GLY 81 HA3 0.02 0.26 0.22 -0.51 4.01 3.99 2o1pB1 GLY 82 H -0.00 0.24 0.29 -0.55 8.43 8.41 2o1pB1 GLY 82 HA2 -0.02 0.28 0.60 -0.51 4.01 4.37 2o1pB1 GLY 82 HA3 -0.00 0.13 0.75 -0.51 4.01 4.38 2o1pB1 LYS 83 H 0.01 0.49 0.31 -0.55 8.42 8.68 2o1pB1 LYS 83 HA -0.08 0.08 0.83 -0.75 4.32 4.40 2o1pB1 LYS 83 HB2 -0.05 0.09 -0.26 -0.04 1.87 1.60 2o1pB1 LYS 83 HB3 0.00 -0.07 -0.01 -0.04 1.79 1.67 2o1pB1 LYS 83 HG2 -0.80 0.09 -0.16 -0.04 1.46 0.55 2o1pB1 LYS 83 HG3 -0.30 -0.07 0.15 -0.04 1.46 1.21 2o1pB1 LYS 83 HD2 -0.10 -0.04 0.02 -0.04 1.69 1.53 2o1pB1 LYS 83 HD3 -0.05 -0.06 -0.08 -0.04 1.68 1.45 2o1pB1 LYS 83 HE2 -0.82 -0.05 0.02 -0.04 2.99 2.11 2o1pB1 LYS 83 HE3 -0.27 -0.07 0.09 -0.04 2.99 2.70 2o1pB1 ILE 84 H -0.15 0.12 0.22 -0.55 8.25 7.88 2o1pB1 ILE 84 HA 0.01 0.32 1.13 -0.75 4.18 4.88 2o1pB1 ILE 84 HB 0.00 0.04 0.12 -0.04 1.89 2.01 2o1pB1 ILE 84 HG12 -0.08 -0.06 0.10 -0.04 1.49 1.41 2o1pB1 ILE 84 HG13 -0.10 0.01 -0.19 -0.04 1.21 0.89 2o1pB1 ILE 84 HG23 0.02 -0.02 -0.11 -0.04 0.93 0.78 2o1pB1 ILE 84 HD13 -0.04 0.02 -0.06 -0.04 0.88 0.75 2o1pB1 PHE 85 H 0.16 0.53 0.40 -0.55 8.34 8.87 2o1pB1 PHE 85 HA 0.05 0.13 0.71 -0.75 4.62 4.75 2o1pB1 PHE 85 HB2 0.06 -0.07 -0.00 -0.04 3.15 3.10 2o1pB1 PHE 85 HB3 0.08 0.06 0.03 -0.04 3.06 3.19 2o1pB1 PHE 85 HD2 0.02 -0.02 -0.13 -0.04 7.28 7.11 2o1pB1 PHE 85 HE2 0.00 -0.01 -0.09 -0.04 7.38 7.24 2o1pB1 PHE 85 HZ 0.00 0.14 -0.24 -0.04 7.32 7.18 2o1pB1 THR 86 H 0.22 0.18 0.19 -0.55 8.28 8.33 2o1pB1 THR 86 HA 0.12 0.35 1.19 -0.75 4.39 5.30 2o1pB1 THR 86 HB 0.15 0.00 0.16 -0.04 4.32 4.59 2o1pB1 THR 86 HG23 0.05 0.00 -0.12 -0.04 1.22 1.11 2o1pB1 TYR 87 H -0.14 0.58 0.28 -0.55 8.29 8.46 2o1pB1 TYR 87 HA 0.08 0.16 0.52 -0.75 4.56 4.57 2o1pB1 TYR 87 HB2 0.05 -0.02 -0.10 -0.04 3.06 2.95 2o1pB1 TYR 87 HB3 0.05 0.07 -0.24 -0.04 2.98 2.82 2o1pB1 TYR 87 HD2 0.05 -0.01 -0.27 -0.04 7.15 6.88 2o1pB1 TYR 87 HE2 0.03 0.03 -0.28 -0.04 6.85 6.60 2o1pB1 GLY 88 H 0.27 0.17 0.10 -0.55 8.43 8.42 2o1pB1 GLY 88 HA2 0.16 0.08 0.32 -0.51 4.01 4.05 2o1pB1 GLY 88 HA3 0.06 0.06 0.50 -0.51 4.01 4.12 2o1pB1 SER 89 H 0.09 0.17 0.15 -0.55 8.46 8.32 2o1pB1 SER 89 HA 0.12 0.07 0.17 -0.75 4.49 4.09 2o1pB1 SER 89 HB2 0.10 0.04 0.16 -0.04 3.95 4.21 2o1pB1 SER 89 HB3 0.15 0.03 -0.15 -0.04 3.93 3.92 2o1pB1 TYR 90 H 0.14 0.18 -0.02 -0.55 8.29 8.04 2o1pB1 TYR 90 HA -0.16 0.03 0.34 -0.75 4.56 4.03 2o1pB1 TYR 90 HB2 -0.22 0.11 0.12 -0.04 3.06 3.03 2o1pB1 TYR 90 HB3 -0.12 -0.03 0.12 -0.04 2.98 2.92 2o1pB1 TYR 90 HD2 -0.51 -0.01 -0.12 -0.04 7.15 6.47 2o1pB1 TYR 90 HE2 -0.11 0.01 -0.07 -0.04 6.85 6.63 2o1pB1 ARG 91 H 0.11 0.16 -0.39 -0.55 8.46 7.80 2o1pB1 ARG 91 HA -0.05 0.08 0.31 -0.75 4.34 3.93 2o1pB1 ARG 91 HB2 0.15 -0.09 -0.41 -0.04 1.90 1.50 2o1pB1 ARG 91 HB3 0.12 0.08 -0.18 -0.04 1.80 1.77 2o1pB1 ARG 91 HG2 0.14 -0.03 -0.05 -0.04 1.67 1.70 2o1pB1 ARG 91 HG3 0.09 0.03 -0.30 -0.04 1.67 1.45 2o1pB1 ARG 91 HD2 0.10 -0.05 -0.00 -0.04 3.22 3.22 2o1pB1 ARG 91 HD3 0.17 0.23 0.06 -0.04 3.22 3.64 2o1pB1 LEU 92 H 0.09 0.32 -0.24 -0.55 8.37 7.98 2o1pB1 LEU 92 HA 0.12 0.09 0.35 -0.75 4.35 4.15 2o1pB1 LEU 92 HB2 0.13 -0.03 -0.03 -0.04 1.64 1.68 2o1pB1 LEU 92 HB3 0.24 0.02 -0.07 -0.04 1.64 1.79 2o1pB1 LEU 92 HG 0.15 0.00 -0.09 -0.04 1.64 1.66 2o1pB1 LEU 92 HD13 0.19 -0.03 -0.14 -0.04 0.93 0.91 2o1pB1 LEU 92 HD23 0.21 0.02 -0.07 -0.04 0.89 1.01 2o1pB1 GLY 93 H 0.04 0.23 -0.48 -0.55 8.43 7.68 2o1pB1 GLY 93 HA2 0.08 0.05 0.27 -0.51 4.01 3.90 2o1pB1 GLY 93 HA3 0.05 0.11 0.65 -0.51 4.01 4.31 2o1pB1 VAL 94 H 0.12 0.37 0.03 -0.55 8.24 8.21 2o1pB1 VAL 94 HA -0.07 0.28 0.89 -0.75 4.13 4.48 2o1pB1 VAL 94 HB -0.09 0.01 0.07 -0.04 2.12 2.07 2o1pB1 VAL 94 HG13 -0.08 0.02 -0.25 -0.04 0.97 0.62 2o1pB1 VAL 94 HG23 0.04 -0.03 -0.11 -0.04 0.95 0.81 2o1pB1 HIS 95 H 0.28 0.05 -0.19 -0.55 8.41 8.00 2o1pB1 HIS 95 HA 0.00 0.01 0.43 -0.75 4.63 4.31 2o1pB1 HIS 95 HB2 0.08 0.06 0.07 -0.04 3.26 3.43 2o1pB1 HIS 95 HB3 0.10 -0.20 -0.18 -0.04 3.20 2.88 2o1pB1 HIS 95 HD2 0.12 0.12 -0.22 -0.04 6.97 6.94 2o1pB1 HIS 95 HE1 -0.08 0.04 -0.04 -0.04 7.75 7.62 2o1pB1 GLY 96 H 0.07 0.03 0.16 -0.55 8.43 8.14 2o1pB1 GLY 96 HA2 -0.14 0.22 0.69 -0.51 4.01 4.26 2o1pB1 GLY 96 HA3 -0.10 0.15 0.32 -0.51 4.01 3.87 2o1pB1 PRO 97 HA 0.04 -0.02 0.26 -0.51 4.44 4.21 2o1pB1 PRO 97 HB2 -0.01 0.00 0.11 -0.04 2.28 2.35 2o1pB1 PRO 97 HB3 0.01 -0.03 0.09 -0.04 2.02 2.05 2o1pB1 PRO 97 HG2 -0.02 0.14 0.07 -0.04 2.03 2.17 2o1pB1 PRO 97 HG3 0.00 0.03 -0.04 -0.04 2.03 1.98 2o1pB1 PRO 97 HD2 -0.06 0.24 0.12 -0.04 3.68 3.93 2o1pB1 PRO 97 HD3 -0.06 0.14 -0.33 -0.04 3.65 3.36 2o1pB1 GLY 98 H -0.01 0.13 -0.13 -0.55 8.43 7.87 2o1pB1 GLY 98 HA2 0.01 0.12 0.41 -0.51 4.01 4.04 2o1pB1 GLY 98 HA3 -0.00 -0.01 0.29 -0.51 4.01 3.77 2o1pB1 SER 99 H 0.05 0.49 -0.32 -0.55 8.46 8.13 2o1pB1 SER 99 HA 0.03 -0.06 0.22 -0.75 4.49 3.92 2o1pB1 SER 99 HB2 0.17 0.13 0.16 -0.04 3.95 4.36 2o1pB1 SER 99 HB3 0.10 0.12 0.08 -0.04 3.93 4.19 2o1pB1 ASP 100 H 0.01 0.01 0.21 -0.55 8.40 8.09 2o1pB1 ASP 100 HA -0.01 0.24 0.77 -0.75 4.63 4.88 2o1pB1 ASP 100 HB2 -0.01 -0.12 -0.04 -0.04 2.71 2.49 2o1pB1 ASP 100 HB3 -0.02 -0.00 0.00 -0.04 2.70 2.64 2o1pB1 ILE 101 H -0.08 0.61 0.39 -0.55 8.25 8.63 2o1pB1 ILE 101 HA -0.11 0.04 0.91 -0.75 4.18 4.27 2o1pB1 ILE 101 HB -0.19 0.01 0.18 -0.04 1.89 1.85 2o1pB1 ILE 101 HG12 -0.55 -0.04 -0.04 -0.04 1.49 0.82 2o1pB1 ILE 101 HG13 -0.21 0.10 -0.19 -0.04 1.21 0.87 2o1pB1 ILE 101 HG23 -0.31 -0.01 -0.19 -0.04 0.93 0.37 2o1pB1 ILE 101 HD13 -0.44 -0.00 -0.06 -0.04 0.88 0.33 2o1pB1 ASP 102 H -0.17 0.14 0.14 -0.55 8.40 7.96 2o1pB1 ASP 102 HA -0.21 0.13 0.76 -0.75 4.63 4.56 2o1pB1 ASP 102 HB2 -0.87 0.09 0.08 -0.04 2.71 1.97 2o1pB1 ASP 102 HB3 -1.27 0.04 -0.06 -0.04 2.70 1.37 2o1pB1 THR 103 H -0.06 0.65 0.37 -0.55 8.28 8.70 2o1pB1 THR 103 HA 0.04 0.23 1.06 -0.75 4.39 4.97 2o1pB1 THR 103 HB 0.02 0.02 0.13 -0.04 4.32 4.45 2o1pB1 THR 103 HG23 0.01 0.00 -0.09 -0.04 1.22 1.10 2o1pB1 LEU 104 H 0.22 0.64 0.37 -0.55 8.37 9.05 2o1pB1 LEU 104 HA 0.10 0.16 0.96 -0.75 4.35 4.81 2o1pB1 LEU 104 HB2 0.17 -0.03 -0.04 -0.04 1.64 1.70 2o1pB1 LEU 104 HB3 0.24 -0.05 0.09 -0.04 1.64 1.88 2o1pB1 LEU 104 HG 0.06 0.00 -0.43 -0.04 1.64 1.24 2o1pB1 LEU 104 HD13 -0.08 0.04 -0.21 -0.04 0.93 0.64 2o1pB1 LEU 104 HD23 -0.10 -0.00 -0.12 -0.04 0.89 0.63 2o1pB1 VAL 105 H -0.08 0.82 0.40 -0.55 8.24 8.84 2o1pB1 VAL 105 HA 0.01 0.17 1.04 -0.75 4.13 4.60 2o1pB1 VAL 105 HB -0.24 -0.05 0.15 -0.04 2.12 1.93 2o1pB1 VAL 105 HG13 -0.08 -0.00 -0.12 -0.04 0.97 0.73 2o1pB1 VAL 105 HG23 -0.11 0.02 -0.10 -0.04 0.95 0.71 2o1pB1 VAL 106 H 0.06 0.72 0.31 -0.55 8.24 8.77 2o1pB1 VAL 106 HA -0.04 0.27 1.10 -0.75 4.13 4.71 2o1pB1 VAL 106 HB 0.18 0.03 0.12 -0.04 2.12 2.41 2o1pB1 VAL 106 HG13 0.01 0.00 -0.15 -0.04 0.97 0.79 2o1pB1 VAL 106 HG23 0.10 -0.02 -0.19 -0.04 0.95 0.80 2o1pB1 VAL 107 H -0.08 0.61 0.38 -0.55 8.24 8.60 2o1pB1 VAL 107 HA -0.11 0.16 0.86 -0.75 4.13 4.28 2o1pB1 VAL 107 HB -0.27 0.01 0.03 -0.04 2.12 1.86 2o1pB1 VAL 107 HG13 -0.07 -0.00 -0.29 -0.04 0.97 0.56 2o1pB1 VAL 107 HG23 -0.14 0.06 -0.11 -0.04 0.95 0.72 2o1pB1 PRO 108 HA -0.08 0.17 0.48 -0.51 4.44 4.49 2o1pB1 PRO 108 HB2 -0.14 -0.04 -0.12 -0.04 2.28 1.94 2o1pB1 PRO 108 HB3 -0.02 -0.02 -0.35 -0.04 2.02 1.58 2o1pB1 PRO 108 HG2 -0.57 -0.08 -0.03 -0.04 2.03 1.31 2o1pB1 PRO 108 HG3 -0.09 0.14 0.03 -0.04 2.03 2.07 2o1pB1 PRO 108 HD2 -0.21 0.06 0.18 -0.04 3.68 3.67 2o1pB1 PRO 108 HD3 -0.09 0.20 0.11 -0.04 3.65 3.83 2o1pB1 LYS 109 H -0.02 0.36 0.09 -0.55 8.42 8.29 2o1pB1 LYS 109 HA -0.06 0.09 0.15 -0.75 4.32 3.74 2o1pB1 LYS 109 HB2 0.00 0.18 -0.01 -0.04 1.87 2.00 2o1pB1 LYS 109 HB3 0.06 -0.09 -0.02 -0.04 1.79 1.70 2o1pB1 LYS 109 HG2 0.01 -0.07 -0.05 -0.04 1.46 1.30 2o1pB1 LYS 109 HG3 -0.01 -0.01 0.01 -0.04 1.46 1.41 2o1pB1 LYS 109 HD2 0.01 -0.08 -0.01 -0.04 1.69 1.57 2o1pB1 LYS 109 HD3 0.01 0.18 0.05 -0.04 1.68 1.88 2o1pB1 LYS 109 HE2 0.05 0.01 -0.07 -0.04 2.99 2.93 2o1pB1 LYS 109 HE3 0.03 -0.04 -0.09 -0.04 2.99 2.84 2o1pB1 HIS 110 H -0.18 0.10 -0.30 -0.55 8.41 7.49 2o1pB1 HIS 110 HA -0.02 0.09 0.45 -0.75 4.63 4.40 2o1pB1 HIS 110 HB2 -0.04 0.01 0.09 -0.04 3.26 3.29 2o1pB1 HIS 110 HB3 -0.03 -0.01 0.04 -0.04 3.20 3.17 2o1pB1 HIS 110 HD2 -0.07 -0.03 -0.21 -0.04 6.97 6.62 2o1pB1 HIS 110 HE1 -0.04 0.25 0.08 -0.04 7.75 7.99 2o1pB1 VAL 111 H -0.27 0.51 -0.45 -0.55 8.24 7.49 2o1pB1 VAL 111 HA -0.09 0.08 0.81 -0.75 4.13 4.17 2o1pB1 VAL 111 HB -0.24 0.07 0.05 -0.04 2.12 1.97 2o1pB1 VAL 111 HG13 -0.33 -0.00 -0.16 -0.04 0.97 0.43 2o1pB1 VAL 111 HG23 -0.49 0.00 -0.14 -0.04 0.95 0.28 2o1pB1 THR 112 H 0.02 0.15 0.08 -0.55 8.28 7.98 2o1pB1 THR 112 HA 0.01 0.23 0.48 -0.75 4.39 4.36 2o1pB1 THR 112 HB 0.06 -0.16 0.20 -0.04 4.32 4.38 2o1pB1 THR 112 HG23 0.03 0.07 0.01 -0.04 1.22 1.29 2o1pB1 ARG 113 H 0.07 0.20 0.17 -0.55 8.46 8.34 2o1pB1 ARG 113 HA 0.11 0.15 0.58 -0.75 4.34 4.43 2o1pB1 ARG 113 HB2 0.07 0.05 0.15 -0.04 1.90 2.13 2o1pB1 ARG 113 HB3 0.17 -0.00 0.06 -0.04 1.80 1.99 2o1pB1 ARG 113 HG2 0.53 -0.01 -0.03 -0.04 1.67 2.12 2o1pB1 ARG 113 HG3 0.11 0.02 0.08 -0.04 1.67 1.84 2o1pB1 ARG 113 HD2 0.14 0.00 0.05 -0.04 3.22 3.38 2o1pB1 ARG 113 HD3 0.21 0.08 0.08 -0.04 3.22 3.55 2o1pB1 GLU 114 H 0.14 0.11 -0.05 -0.55 8.60 8.26 2o1pB1 GLU 114 HA 0.23 0.12 0.41 -0.75 4.29 4.30 2o1pB1 GLU 114 HB2 0.11 0.01 -0.05 -0.04 2.09 2.12 2o1pB1 GLU 114 HB3 0.11 0.07 0.02 -0.04 1.99 2.14 2o1pB1 GLU 114 HG2 0.08 0.06 0.02 -0.04 2.34 2.46 2o1pB1 GLU 114 HG3 0.10 -0.10 0.08 -0.04 2.34 2.37 2o1pB1 ASP 115 H 0.18 0.11 -0.58 -0.55 8.40 7.56 2o1pB1 ASP 115 HA 0.20 0.05 0.52 -0.75 4.63 4.65 2o1pB1 ASP 115 HB2 0.29 0.25 -0.04 -0.04 2.71 3.17 2o1pB1 ASP 115 HB3 0.33 0.00 -0.01 -0.04 2.70 2.98 2o1pB1 PHE 116 H 0.36 0.36 -0.13 -0.55 8.34 8.37 2o1pB1 PHE 116 HA -0.48 0.00 0.42 -0.75 4.62 3.81 2o1pB1 PHE 116 HB2 -0.07 0.07 0.10 -0.04 3.15 3.20 2o1pB1 PHE 116 HB3 -0.32 0.18 0.14 -0.04 3.06 3.02 2o1pB1 PHE 116 HD2 -1.01 -0.00 -0.10 -0.04 7.28 6.13 2o1pB1 PHE 116 HE2 -0.61 0.04 -0.17 -0.04 7.38 6.59 2o1pB1 PHE 116 HZ -0.18 0.02 -0.40 -0.04 7.32 6.72 2o1pB1 PHE 117 H 0.20 0.46 -0.29 -0.55 8.34 8.16 2o1pB1 PHE 117 HA -0.16 0.09 0.47 -0.75 4.62 4.26 2o1pB1 PHE 117 HB2 0.06 0.04 0.03 -0.04 3.15 3.24 2o1pB1 PHE 117 HB3 0.00 -0.00 0.08 -0.04 3.06 3.10 2o1pB1 PHE 117 HD2 0.05 0.05 -0.06 -0.04 7.28 7.28 2o1pB1 PHE 117 HE2 0.11 0.05 -0.13 -0.04 7.38 7.37 2o1pB1 PHE 117 HZ 0.18 -0.02 -0.35 -0.04 7.32 7.08 2o1pB1 THR 118 H 0.11 0.12 -0.58 -0.55 8.28 7.38 2o1pB1 THR 118 HA 0.06 0.23 0.99 -0.75 4.39 4.92 2o1pB1 THR 118 HB 0.07 -0.02 0.03 -0.04 4.32 4.35 2o1pB1 THR 118 HG23 0.09 0.04 -0.06 -0.04 1.22 1.24 2o1pB1 VAL 119 H 0.13 0.22 0.20 -0.55 8.24 8.24 2o1pB1 VAL 119 HA 0.08 0.05 0.29 -0.75 4.13 3.79 2o1pB1 VAL 119 HB 0.39 0.05 0.13 -0.04 2.12 2.65 2o1pB1 VAL 119 HG13 0.35 0.01 -0.13 -0.04 0.97 1.15 2o1pB1 VAL 119 HG23 0.14 -0.00 0.01 -0.04 0.95 1.05 2o1pB1 PHE 120 H -0.21 0.38 -0.03 -0.55 8.34 7.93 2o1pB1 PHE 120 HA -0.36 0.05 0.39 -0.75 4.62 3.94 2o1pB1 PHE 120 HB2 -2.32 -0.05 0.07 -0.04 3.15 0.81 2o1pB1 PHE 120 HB3 -0.91 0.34 0.18 -0.04 3.06 2.63 2o1pB1 PHE 120 HD2 -0.57 0.03 -0.11 -0.04 7.28 6.59 2o1pB1 PHE 120 HE2 -0.07 0.00 -0.24 -0.04 7.38 7.03 2o1pB1 PHE 120 HZ -0.04 -0.01 -0.12 -0.04 7.32 7.11 2o1pB1 ASP 121 H -0.22 0.35 -0.24 -0.55 8.40 7.75 2o1pB1 ASP 121 HA -0.26 -0.02 0.36 -0.75 4.63 3.96 2o1pB1 ASP 121 HB2 -0.11 -0.03 0.02 -0.04 2.71 2.54 2o1pB1 ASP 121 HB3 -0.06 0.13 -0.27 -0.04 2.70 2.45 2o1pB1 SER 122 H -0.09 0.51 -0.38 -0.55 8.46 7.96 2o1pB1 SER 122 HA -0.06 0.04 0.48 -0.75 4.49 4.19 2o1pB1 SER 122 HB2 -0.02 -0.06 0.05 -0.04 3.95 3.88 2o1pB1 SER 122 HB3 -0.02 0.04 0.03 -0.04 3.93 3.95 2o1pB1 LEU 123 H -0.15 0.43 -0.14 -0.55 8.37 7.97 2o1pB1 LEU 123 HA -0.05 0.04 0.64 -0.75 4.35 4.23 2o1pB1 LEU 123 HB2 -0.25 0.11 0.19 -0.04 1.64 1.65 2o1pB1 LEU 123 HB3 -0.10 -0.06 -0.00 -0.04 1.64 1.43 2o1pB1 LEU 123 HG 0.03 0.09 0.02 -0.04 1.64 1.74 2o1pB1 LEU 123 HD13 0.17 -0.01 -0.11 -0.04 0.93 0.93 2o1pB1 LEU 123 HD23 0.04 -0.02 -0.01 -0.04 0.89 0.86 2o1pB1 LEU 124 H -0.36 0.59 -0.11 -0.55 8.37 7.94 2o1pB1 LEU 124 HA -0.11 -0.03 0.40 -0.75 4.35 3.85 2o1pB1 LEU 124 HB2 -0.24 0.26 0.12 -0.04 1.64 1.74 2o1pB1 LEU 124 HB3 -0.10 -0.06 -0.07 -0.04 1.64 1.37 2o1pB1 LEU 124 HG -0.88 0.09 -0.02 -0.04 1.64 0.78 2o1pB1 LEU 124 HD13 -0.29 -0.02 -0.12 -0.04 0.93 0.46 2o1pB1 LEU 124 HD23 -0.20 -0.02 -0.05 -0.04 0.89 0.57 2o1pB1 ARG 125 H -0.10 0.29 -0.36 -0.55 8.46 7.73 2o1pB1 ARG 125 HA -0.05 0.06 0.35 -0.75 4.34 3.95 2o1pB1 ARG 125 HB2 -0.05 0.06 0.08 -0.04 1.90 1.94 2o1pB1 ARG 125 HB3 -0.04 -0.03 0.04 -0.04 1.80 1.73 2o1pB1 ARG 125 HG2 -0.04 -0.04 -0.03 -0.04 1.67 1.53 2o1pB1 ARG 125 HG3 -0.07 0.13 0.01 -0.04 1.67 1.71 2o1pB1 ARG 125 HD2 -0.04 0.00 -0.15 -0.04 3.22 2.99 2o1pB1 ARG 125 HD3 -0.03 -0.03 -0.05 -0.04 3.22 3.07 2o1pB1 GLU 126 H -0.05 0.29 -0.43 -0.55 8.60 7.87 2o1pB1 GLU 126 HA -0.03 0.01 0.46 -0.75 4.29 3.97 2o1pB1 GLU 126 HB2 -0.03 0.24 0.19 -0.04 2.09 2.44 2o1pB1 GLU 126 HB3 -0.02 -0.09 -0.07 -0.04 1.99 1.78 2o1pB1 GLU 126 HG2 -0.01 -0.07 0.06 -0.04 2.34 2.27 2o1pB1 GLU 126 HG3 -0.01 -0.00 0.05 -0.04 2.34 2.33 2o1pB1 ARG 127 H -0.03 0.41 -0.42 -0.55 8.46 7.87 2o1pB1 ARG 127 HA -0.03 0.01 0.38 -0.75 4.34 3.95 2o1pB1 ARG 127 HB2 0.00 0.21 0.17 -0.04 1.90 2.24 2o1pB1 ARG 127 HB3 -0.09 -0.24 0.05 -0.04 1.80 1.48 2o1pB1 ARG 127 HG2 0.04 0.20 0.04 -0.04 1.67 1.91 2o1pB1 ARG 127 HG3 0.28 -0.05 -0.01 -0.04 1.67 1.85 2o1pB1 ARG 127 HD2 0.02 0.02 -0.09 -0.04 3.22 3.14 2o1pB1 ARG 127 HD3 0.06 0.02 -0.06 -0.04 3.22 3.20 2o1pB1 LYS 128 H -0.08 0.13 0.20 -0.55 8.42 8.12 2o1pB1 LYS 128 HA -0.09 0.26 0.61 -0.75 4.32 4.34 2o1pB1 LYS 128 HB2 -0.07 0.01 0.16 -0.04 1.87 1.93 2o1pB1 LYS 128 HB3 -0.05 0.07 0.11 -0.04 1.79 1.88 2o1pB1 LYS 128 HG2 -0.05 0.01 0.08 -0.04 1.46 1.47 2o1pB1 LYS 128 HG3 -0.08 -0.04 -0.05 -0.04 1.46 1.24 2o1pB1 LYS 128 HD2 -0.05 0.01 0.00 -0.04 1.69 1.61 2o1pB1 LYS 128 HD3 -0.04 0.01 0.02 -0.04 1.68 1.63 2o1pB1 LYS 128 HE2 -0.03 -0.01 -0.01 -0.04 2.99 2.89 2o1pB1 LYS 128 HE3 -0.03 -0.00 -0.00 -0.04 2.99 2.91 2o1pB1 GLU 129 H -0.29 0.01 -0.36 -0.55 8.60 7.40 2o1pB1 GLU 129 HA -0.29 0.17 0.69 -0.75 4.29 4.11 2o1pB1 GLU 129 HB2 -1.46 0.05 -0.04 -0.04 2.09 0.59 2o1pB1 GLU 129 HB3 -0.75 -0.10 0.10 -0.04 1.99 1.20 2o1pB1 GLU 129 HG2 -0.15 0.02 -0.02 -0.04 2.34 2.15 2o1pB1 GLU 129 HG3 -0.19 0.03 -0.08 -0.04 2.34 2.07 2o1pB1 LEU 130 H -0.28 0.40 -0.37 -0.55 8.37 7.56 2o1pB1 LEU 130 HA -0.21 0.01 0.60 -0.75 4.35 4.00 2o1pB1 LEU 130 HB2 -0.10 0.14 0.16 -0.04 1.64 1.79 2o1pB1 LEU 130 HB3 -0.08 0.04 0.11 -0.04 1.64 1.67 2o1pB1 LEU 130 HG 0.05 -0.01 -0.10 -0.04 1.64 1.54 2o1pB1 LEU 130 HD13 -0.03 -0.02 -0.23 -0.04 0.93 0.61 2o1pB1 LEU 130 HD23 0.04 -0.05 -0.13 -0.04 0.89 0.70 2o1pB1 ASP 131 H -0.09 0.56 0.49 -0.55 8.40 8.81 2o1pB1 ASP 131 HA -0.07 0.13 0.60 -0.75 4.63 4.54 2o1pB1 ASP 131 HB2 -0.03 -0.05 0.05 -0.04 2.71 2.64 2o1pB1 ASP 131 HB3 -0.03 -0.01 -0.00 -0.04 2.70 2.61 2o1pB1 GLU 132 H -0.01 0.37 0.28 -0.55 8.60 8.70 2o1pB1 GLU 132 HA -0.01 0.17 0.62 -0.75 4.29 4.32 2o1pB1 GLU 132 HB2 0.01 -0.12 -0.03 -0.04 2.09 1.91 2o1pB1 GLU 132 HB3 0.01 0.03 -0.06 -0.04 1.99 1.93 2o1pB1 GLU 132 HG2 -0.00 0.05 0.05 -0.04 2.34 2.39 2o1pB1 GLU 132 HG3 -0.01 0.06 -0.47 -0.04 2.34 1.89 2o1pB1 ILE 133 H 0.00 0.28 0.12 -0.55 8.25 8.11 2o1pB1 ILE 133 HA 0.02 0.20 0.86 -0.75 4.18 4.50 2o1pB1 ILE 133 HB -0.01 0.04 -0.16 -0.04 1.89 1.72 2o1pB1 ILE 133 HG12 -0.00 -0.01 -0.18 -0.04 1.49 1.25 2o1pB1 ILE 133 HG13 0.00 -0.02 -0.12 -0.04 1.21 1.03 2o1pB1 ILE 133 HG23 -0.01 0.00 -0.01 -0.04 0.93 0.87 2o1pB1 ILE 133 HD13 -0.06 -0.00 -0.09 -0.04 0.88 0.70 2o1pB1 ALA 134 H 0.03 0.84 0.23 -0.55 8.40 8.96 2o1pB1 ALA 134 HA 0.02 0.22 0.91 -0.75 4.34 4.74 2o1pB1 ALA 134 HB3 0.03 -0.01 0.03 -0.04 1.41 1.42 2o1pB1 PRO 135 HA 0.17 0.05 0.74 -0.51 4.44 4.90 2o1pB1 PRO 135 HB2 0.08 0.01 0.04 -0.04 2.28 2.37 2o1pB1 PRO 135 HB3 0.24 0.02 0.11 -0.04 2.02 2.35 2o1pB1 PRO 135 HG2 0.04 0.05 0.08 -0.04 2.03 2.16 2o1pB1 PRO 135 HG3 0.05 0.04 0.01 -0.04 2.03 2.09 2o1pB1 PRO 135 HD2 0.02 0.10 0.21 -0.04 3.68 3.97 2o1pB1 PRO 135 HD3 0.02 0.24 -0.08 -0.04 3.65 3.80 2o1pB1 VAL 136 H 0.20 0.80 0.30 -0.55 8.24 8.99 2o1pB1 VAL 136 HA -0.02 0.19 0.80 -0.75 4.13 4.34 2o1pB1 VAL 136 HB 0.07 -0.06 0.21 -0.04 2.12 2.30 2o1pB1 VAL 136 HG13 0.02 -0.01 -0.06 -0.04 0.97 0.88 2o1pB1 VAL 136 HG23 0.07 0.04 -0.19 -0.04 0.95 0.83 2o1pB1 PRO 137 HA -0.47 0.07 0.46 -0.51 4.44 4.00 2o1pB1 PRO 137 HB2 -0.45 0.03 -0.02 -0.04 2.28 1.80 2o1pB1 PRO 137 HB3 -1.78 0.03 0.06 -0.04 2.02 0.28 2o1pB1 PRO 137 HG2 -0.26 0.01 0.06 -0.04 2.03 1.79 2o1pB1 PRO 137 HG3 -0.46 0.08 0.02 -0.04 2.03 1.64 2o1pB1 PRO 137 HD2 -0.16 0.17 0.03 -0.04 3.68 3.67 2o1pB1 PRO 137 HD3 -0.32 0.12 -0.19 -0.04 3.65 3.22 2o1pB1 ASP 138 H -0.12 0.12 -0.18 -0.55 8.40 7.68 2o1pB1 ASP 138 HA -0.02 0.14 0.42 -0.75 4.63 4.41 2o1pB1 ASP 138 HB2 -0.03 0.00 0.06 -0.04 2.71 2.71 2o1pB1 ASP 138 HB3 -0.01 0.01 0.15 -0.04 2.70 2.81 2o1pB1 ALA 139 H 0.02 0.40 -0.76 -0.55 8.40 7.52 2o1pB1 ALA 139 HA 0.08 0.11 0.81 -0.75 4.34 4.58 2o1pB1 ALA 139 HB3 0.08 0.01 -0.05 -0.04 1.41 1.41 2o1pB1 PHE 140 H 0.21 0.12 0.05 -0.55 8.34 8.17 2o1pB1 PHE 140 HA 0.02 0.04 0.35 -0.75 4.62 4.27 2o1pB1 PHE 140 HB2 0.01 0.02 0.11 -0.04 3.15 3.25 2o1pB1 PHE 140 HB3 0.02 -0.05 0.11 -0.04 3.06 3.10 2o1pB1 PHE 140 HD2 0.01 -0.02 -0.03 -0.04 7.28 7.20 2o1pB1 PHE 140 HE2 -0.00 -0.01 -0.04 -0.04 7.38 7.28 2o1pB1 PHE 140 HZ -0.01 -0.01 -0.04 -0.04 7.32 7.22 2o1pB1 VAL 141 H 0.15 0.06 -0.14 -0.55 8.24 7.75 2o1pB1 VAL 141 HA -0.19 0.28 1.02 -0.75 4.13 4.49 2o1pB1 VAL 141 HB -0.18 -0.01 0.02 -0.04 2.12 1.91 2o1pB1 VAL 141 HG13 0.13 -0.03 0.00 -0.04 0.97 1.03 2o1pB1 VAL 141 HG23 -0.02 0.01 -0.14 -0.04 0.95 0.76 2o1pB1 PRO 142 HA 0.19 0.13 0.48 -0.51 4.44 4.73 2o1pB1 PRO 142 HB2 0.27 -0.10 0.17 -0.04 2.28 2.57 2o1pB1 PRO 142 HB3 0.33 0.04 0.20 -0.04 2.02 2.55 2o1pB1 PRO 142 HG2 0.06 -0.11 0.16 -0.04 2.03 2.10 2o1pB1 PRO 142 HG3 0.05 0.27 0.16 -0.04 2.03 2.47 2o1pB1 PRO 142 HD2 -0.03 -0.00 0.24 -0.04 3.68 3.84 2o1pB1 PRO 142 HD3 -0.11 0.37 0.24 -0.04 3.65 4.11 2o1pB1 ILE 143 H 0.30 0.34 0.27 -0.55 8.25 8.61 2o1pB1 ILE 143 HA 0.24 0.36 0.92 -0.75 4.18 4.95 2o1pB1 ILE 143 HB 0.14 0.16 -0.14 -0.04 1.89 2.01 2o1pB1 ILE 143 HG12 0.12 -0.06 -0.16 -0.04 1.49 1.34 2o1pB1 ILE 143 HG13 0.14 0.16 -0.13 -0.04 1.21 1.35 2o1pB1 ILE 143 HG23 0.13 -0.01 -0.02 -0.04 0.93 0.98 2o1pB1 ILE 143 HD13 0.10 -0.03 -0.11 -0.04 0.88 0.80 2o1pB1 ILE 144 H 0.22 0.72 0.35 -0.55 8.25 9.00 2o1pB1 ILE 144 HA 0.16 0.06 0.75 -0.75 4.18 4.40 2o1pB1 ILE 144 HB -0.04 0.01 0.10 -0.04 1.89 1.92 2o1pB1 ILE 144 HG12 0.05 -0.01 -0.00 -0.04 1.49 1.49 2o1pB1 ILE 144 HG13 -0.24 -0.03 -0.29 -0.04 1.21 0.60 2o1pB1 ILE 144 HG23 -0.03 -0.00 -0.23 -0.04 0.93 0.63 2o1pB1 ILE 144 HD13 -1.02 0.00 -0.17 -0.04 0.88 -0.34 2o1pB1 LYS 145 H 0.08 0.47 -0.01 -0.55 8.42 8.40 2o1pB1 LYS 145 HA 0.06 0.18 0.94 -0.75 4.32 4.74 2o1pB1 LYS 145 HB2 0.07 0.12 0.13 -0.04 1.87 2.15 2o1pB1 LYS 145 HB3 0.04 -0.04 0.08 -0.04 1.79 1.83 2o1pB1 LYS 145 HG2 0.04 0.02 -0.05 -0.04 1.46 1.42 2o1pB1 LYS 145 HG3 0.05 -0.05 0.03 -0.04 1.46 1.45 2o1pB1 LYS 145 HD2 0.07 -0.03 -0.05 -0.04 1.69 1.64 2o1pB1 LYS 145 HD3 0.05 0.04 -0.03 -0.04 1.68 1.70 2o1pB1 LYS 145 HE2 0.04 -0.00 -0.04 -0.04 2.99 2.95 2o1pB1 LYS 145 HE3 0.04 0.02 -0.06 -0.04 2.99 2.94 2o1pB1 ILE 146 H 0.04 0.67 0.36 -0.55 8.25 8.76 2o1pB1 ILE 146 HA 0.03 0.23 1.14 -0.75 4.18 4.83 2o1pB1 ILE 146 HB 0.09 0.10 0.07 -0.04 1.89 2.11 2o1pB1 ILE 146 HG12 0.03 0.12 0.08 -0.04 1.49 1.68 2o1pB1 ILE 146 HG13 0.07 -0.13 -0.18 -0.04 1.21 0.93 2o1pB1 ILE 146 HG23 0.02 -0.02 -0.22 -0.04 0.93 0.66 2o1pB1 ILE 146 HD13 0.06 -0.01 -0.11 -0.04 0.88 0.78 2o1pB1 LYS 147 H 0.04 0.70 0.34 -0.55 8.42 8.94 2o1pB1 LYS 147 HA 0.05 0.29 0.74 -0.75 4.32 4.65 2o1pB1 LYS 147 HB2 0.02 0.02 -0.02 -0.04 1.87 1.85 2o1pB1 LYS 147 HB3 0.01 -0.13 0.11 -0.04 1.79 1.73 2o1pB1 LYS 147 HG2 0.02 -0.13 -0.28 -0.04 1.46 1.03 2o1pB1 LYS 147 HG3 0.02 0.07 -0.23 -0.04 1.46 1.28 2o1pB1 LYS 147 HD2 0.00 0.01 -0.10 -0.04 1.69 1.56 2o1pB1 LYS 147 HD3 -0.00 -0.06 -0.09 -0.04 1.68 1.48 2o1pB1 LYS 147 HE2 0.00 -0.01 -0.05 -0.04 2.99 2.89 2o1pB1 LYS 147 HE3 0.01 0.15 -0.10 -0.04 2.99 3.00 2o1pB1 PHE 148 H 0.14 0.89 0.17 -0.55 8.34 8.99 2o1pB1 PHE 148 HA -0.03 0.25 0.97 -0.75 4.62 5.05 2o1pB1 PHE 148 HB2 -0.04 -0.03 -0.13 -0.04 3.15 2.91 2o1pB1 PHE 148 HB3 -0.04 0.01 0.10 -0.04 3.06 3.10 2o1pB1 PHE 148 HD2 -0.05 0.01 -0.16 -0.04 7.28 7.04 2o1pB1 PHE 148 HE2 -0.06 0.03 -0.05 -0.04 7.38 7.27 2o1pB1 PHE 148 HZ -0.04 -0.01 -0.06 -0.04 7.32 7.17 2o1pB1 SER 149 H -0.26 0.74 0.30 -0.55 8.46 8.69 2o1pB1 SER 149 HA -0.10 0.07 0.37 -0.75 4.49 4.08 2o1pB1 SER 149 HB2 0.11 0.15 0.06 -0.04 3.95 4.22 2o1pB1 SER 149 HB3 0.01 -0.01 0.24 -0.04 3.93 4.12 2o1pB1 GLY 150 H -0.02 0.07 -0.31 -0.55 8.43 7.62 2o1pB1 GLY 150 HA2 -0.00 -0.01 0.22 -0.51 4.01 3.72 2o1pB1 GLY 150 HA3 0.00 0.12 0.48 -0.51 4.01 4.10 2o1pB1 ILE 151 H 0.05 0.44 -0.53 -0.55 8.25 7.66 2o1pB1 ILE 151 HA 0.02 0.19 0.78 -0.75 4.18 4.41 2o1pB1 ILE 151 HB 0.05 0.08 0.06 -0.04 1.89 2.03 2o1pB1 ILE 151 HG12 0.02 0.04 -0.07 -0.04 1.49 1.44 2o1pB1 ILE 151 HG13 0.03 0.05 -0.20 -0.04 1.21 1.05 2o1pB1 ILE 151 HG23 -0.04 0.01 -0.12 -0.04 0.93 0.73 2o1pB1 ILE 151 HD13 0.02 -0.03 -0.13 -0.04 0.88 0.70 2o1pB1 SER 152 H 0.00 0.26 0.14 -0.55 8.46 8.32 2o1pB1 SER 152 HA 0.02 0.28 0.97 -0.75 4.49 5.01 2o1pB1 SER 152 HB2 0.00 -0.11 0.18 -0.04 3.95 3.98 2o1pB1 SER 152 HB3 0.01 0.03 0.03 -0.04 3.93 3.96 2o1pB1 ILE 153 H 0.02 0.41 0.24 -0.55 8.25 8.37 2o1pB1 ILE 153 HA -0.05 0.14 1.12 -0.75 4.18 4.63 2o1pB1 ILE 153 HB -0.03 -0.04 0.08 -0.04 1.89 1.86 2o1pB1 ILE 153 HG12 -0.15 -0.02 -0.10 -0.04 1.49 1.19 2o1pB1 ILE 153 HG13 -0.13 0.02 0.01 -0.04 1.21 1.07 2o1pB1 ILE 153 HG23 -0.04 0.01 -0.18 -0.04 0.93 0.68 2o1pB1 ILE 153 HD13 -0.06 -0.02 -0.48 -0.04 0.88 0.28 2o1pB1 ASP 154 H -0.03 0.43 0.25 -0.55 8.40 8.50 2o1pB1 ASP 154 HA 0.04 0.14 1.00 -0.75 4.63 5.06 2o1pB1 ASP 154 HB2 -0.02 -0.08 0.13 -0.04 2.71 2.71 2o1pB1 ASP 154 HB3 0.05 0.02 -0.00 -0.04 2.70 2.73 2o1pB1 LEU 155 H 0.10 0.36 0.24 -0.55 8.37 8.52 2o1pB1 LEU 155 HA 0.11 0.32 1.12 -0.75 4.35 5.14 2o1pB1 LEU 155 HB2 0.14 0.25 0.22 -0.04 1.64 2.20 2o1pB1 LEU 155 HB3 0.29 -0.03 -0.05 -0.04 1.64 1.81 2o1pB1 LEU 155 HG 0.06 -0.03 -0.44 -0.04 1.64 1.19 2o1pB1 LEU 155 HD13 0.09 -0.00 -0.13 -0.04 0.93 0.85 2o1pB1 LEU 155 HD23 0.15 0.00 -0.12 -0.04 0.89 0.88 2o1pB1 ILE 156 H 0.10 0.66 0.44 -0.55 8.25 8.90 2o1pB1 ILE 156 HA 0.01 0.27 1.03 -0.75 4.18 4.73 2o1pB1 ILE 156 HB -0.05 0.02 0.13 -0.04 1.89 1.95 2o1pB1 ILE 156 HG12 0.19 0.03 -0.03 -0.04 1.49 1.64 2o1pB1 ILE 156 HG13 0.02 -0.07 -0.05 -0.04 1.21 1.07 2o1pB1 ILE 156 HG23 0.10 0.01 -0.26 -0.04 0.93 0.75 2o1pB1 ILE 156 HD13 -0.02 -0.01 -0.06 -0.04 0.88 0.75 2o1pB1 CYS 157 H -0.38 0.30 0.23 -0.55 8.50 8.10 2o1pB1 CYS 157 HA -0.41 0.29 1.18 -0.75 4.58 4.89 2o1pB1 CYS 157 HB2 -2.22 -0.02 -0.15 -0.04 2.97 0.54 2o1pB1 CYS 157 HB3 -1.12 -0.06 0.06 -0.04 2.97 1.81 2o1pB1 ALA 158 H -0.18 0.70 0.35 -0.55 8.40 8.72 2o1pB1 ALA 158 HA -0.14 0.08 0.90 -0.75 4.34 4.43 2o1pB1 ALA 158 HB3 -0.11 0.01 -0.05 -0.04 1.41 1.22 2o1pB1 ARG 159 H -0.09 0.07 0.15 -0.55 8.46 8.04 2o1pB1 ARG 159 HA -0.09 0.37 0.94 -0.75 4.34 4.80 2o1pB1 ARG 159 HB2 -0.06 -0.15 0.08 -0.04 1.90 1.73 2o1pB1 ARG 159 HB3 -0.07 0.16 -0.09 -0.04 1.80 1.76 2o1pB1 ARG 159 HG2 -0.09 0.29 -0.06 -0.04 1.67 1.77 2o1pB1 ARG 159 HG3 -0.09 -0.19 -0.13 -0.04 1.67 1.22 2o1pB1 ARG 159 HD2 -0.03 -0.11 0.02 -0.04 3.22 3.05 2o1pB1 ARG 159 HD3 -0.04 -0.16 -0.01 -0.04 3.22 2.97 2o1pB1 LEU 160 H -0.06 0.55 0.23 -0.55 8.37 8.55 2o1pB1 LEU 160 HA -0.04 0.20 0.90 -0.75 4.35 4.65 2o1pB1 LEU 160 HB2 -0.03 0.06 0.02 -0.04 1.64 1.65 2o1pB1 LEU 160 HB3 -0.02 -0.17 0.11 -0.04 1.64 1.52 2o1pB1 LEU 160 HG -0.04 -0.00 -0.15 -0.04 1.64 1.40 2o1pB1 LEU 160 HD13 -0.01 -0.01 -0.06 -0.04 0.93 0.81 2o1pB1 LEU 160 HD23 -0.04 0.03 -0.00 -0.04 0.89 0.83 2o1pB1 ASP 161 H -0.02 0.21 0.14 -0.55 8.40 8.18 2o1pB1 ASP 161 HA -0.01 0.10 0.45 -0.75 4.63 4.42 2o1pB1 ASP 161 HB2 -0.01 0.09 0.04 -0.04 2.71 2.79 2o1pB1 ASP 161 HB3 -0.01 -0.01 0.03 -0.04 2.70 2.67 2o1pB1 GLN 162 H -0.01 0.01 -0.11 -0.55 8.47 7.82 2o1pB1 GLN 162 HA 0.01 0.14 0.63 -0.75 4.36 4.39 2o1pB1 GLN 162 HB2 0.01 0.02 0.14 -0.04 2.15 2.28 2o1pB1 GLN 162 HB3 0.00 -0.02 0.10 -0.04 2.02 2.06 2o1pB1 GLN 162 HG2 -0.00 -0.12 0.01 -0.04 2.40 2.25 2o1pB1 GLN 162 HG3 0.01 0.22 -0.02 -0.04 2.39 2.55 2o1pB1 GLN 162 HE21 0.00 -0.01 0.03 -0.04 6.97 6.95 2o1pB1 GLN 162 HE22 -0.00 -0.06 0.05 -0.04 7.69 7.64 2o1pB1 PRO 163 HA 0.11 0.00 0.50 -0.51 4.44 4.55 2o1pB1 PRO 163 HB2 0.03 0.03 0.02 -0.04 2.28 2.32 2o1pB1 PRO 163 HB3 0.03 0.02 0.13 -0.04 2.02 2.17 2o1pB1 PRO 163 HG2 0.01 0.02 0.08 -0.04 2.03 2.10 2o1pB1 PRO 163 HG3 0.02 0.07 0.10 -0.04 2.03 2.18 2o1pB1 PRO 163 HD2 0.02 0.10 0.17 -0.04 3.68 3.93 2o1pB1 PRO 163 HD3 0.01 0.11 0.27 -0.04 3.65 4.01 2o1pB1 GLN 164 H 0.03 0.13 -0.35 -0.55 8.47 7.73 2o1pB1 GLN 164 HA 0.04 0.21 0.63 -0.75 4.36 4.49 2o1pB1 GLN 164 HB2 0.03 0.22 0.03 -0.04 2.15 2.39 2o1pB1 GLN 164 HB3 0.04 0.04 -0.25 -0.04 2.02 1.81 2o1pB1 GLN 164 HG2 0.02 -0.13 -0.13 -0.04 2.40 2.12 2o1pB1 GLN 164 HG3 0.02 -0.02 -0.21 -0.04 2.39 2.14 2o1pB1 GLN 164 HE21 0.01 -0.04 -0.05 -0.04 6.97 6.85 2o1pB1 GLN 164 HE22 0.01 -0.05 -0.08 -0.04 7.69 7.54 2o1pB1 VAL 165 H 0.01 0.82 0.05 -0.55 8.24 8.57 2o1pB1 VAL 165 HA 0.02 0.14 0.84 -0.75 4.13 4.38 2o1pB1 VAL 165 HB -0.00 -0.18 0.28 -0.04 2.12 2.18 2o1pB1 VAL 165 HG13 0.05 0.04 -0.10 -0.04 0.97 0.92 2o1pB1 VAL 165 HG23 -0.01 -0.01 -0.38 -0.04 0.95 0.51 2o1pB1 PRO 166 HA 0.02 0.13 0.46 -0.51 4.44 4.54 2o1pB1 PRO 166 HB2 0.02 -0.13 -0.01 -0.04 2.28 2.11 2o1pB1 PRO 166 HB3 0.02 0.08 0.07 -0.04 2.02 2.15 2o1pB1 PRO 166 HG2 0.03 -0.04 -0.01 -0.04 2.03 1.97 2o1pB1 PRO 166 HG3 0.02 0.05 -0.00 -0.04 2.03 2.06 2o1pB1 PRO 166 HD2 0.02 0.16 0.16 -0.04 3.68 3.98 2o1pB1 PRO 166 HD3 0.02 0.15 -0.20 -0.04 3.65 3.58 2o1pB1 LEU 167 H 0.01 0.13 0.15 -0.55 8.37 8.11 2o1pB1 LEU 167 HA -0.02 0.20 0.34 -0.75 4.35 4.11 2o1pB1 LEU 167 HB2 -0.00 -0.06 0.12 -0.04 1.64 1.66 2o1pB1 LEU 167 HB3 -0.02 0.02 0.08 -0.04 1.64 1.68 2o1pB1 LEU 167 HG -0.01 0.08 0.04 -0.04 1.64 1.71 2o1pB1 LEU 167 HD13 -0.00 -0.01 0.04 -0.04 0.93 0.92 2o1pB1 LEU 167 HD23 -0.02 0.01 0.06 -0.04 0.89 0.89 2o1pB1 SER 168 H 0.01 -0.01 -0.33 -0.55 8.46 7.60 2o1pB1 SER 168 HA 0.01 0.25 0.76 -0.75 4.49 4.76 2o1pB1 SER 168 HB2 0.02 0.01 0.11 -0.04 3.95 4.05 2o1pB1 SER 168 HB3 0.01 -0.02 -0.01 -0.04 3.93 3.87 2o1pB1 LEU 169 H 0.05 0.31 -0.44 -0.55 8.37 7.75 2o1pB1 LEU 169 HA 0.07 -0.04 0.35 -0.75 4.35 3.97 2o1pB1 LEU 169 HB2 0.07 0.15 0.02 -0.04 1.64 1.84 2o1pB1 LEU 169 HB3 0.19 0.01 -0.08 -0.04 1.64 1.72 2o1pB1 LEU 169 HG 0.07 0.08 -0.03 -0.04 1.64 1.71 2o1pB1 LEU 169 HD13 0.03 -0.02 0.03 -0.04 0.93 0.93 2o1pB1 LEU 169 HD23 0.09 -0.01 -0.12 -0.04 0.89 0.81 2o1pB1 THR 170 H 0.06 0.13 0.22 -0.55 8.28 8.15 2o1pB1 THR 170 HA 0.20 0.25 0.73 -0.75 4.39 4.81 2o1pB1 THR 170 HB 0.05 -0.11 0.13 -0.04 4.32 4.35 2o1pB1 THR 170 HG23 0.09 0.08 -0.12 -0.04 1.22 1.22 2o1pB1 LEU 171 H -0.13 0.19 0.07 -0.55 8.37 7.95 2o1pB1 LEU 171 HA -0.11 0.22 0.61 -0.75 4.35 4.32 2o1pB1 LEU 171 HB2 -0.27 -0.01 -0.05 -0.04 1.64 1.26 2o1pB1 LEU 171 HB3 -0.20 0.06 0.01 -0.04 1.64 1.47 2o1pB1 LEU 171 HG -0.82 -0.04 -0.18 -0.04 1.64 0.56 2o1pB1 LEU 171 HD13 -0.73 0.01 -0.11 -0.04 0.93 0.06 2o1pB1 LEU 171 HD23 -0.21 0.03 -0.22 -0.04 0.89 0.46 2o1pB1 SER 172 H -0.03 0.01 -0.22 -0.55 8.46 7.67 2o1pB1 SER 172 HA -0.03 0.08 0.28 -0.75 4.49 4.07 2o1pB1 SER 172 HB2 -0.01 -0.01 -0.01 -0.04 3.95 3.88 2o1pB1 SER 172 HB3 -0.01 0.06 0.02 -0.04 3.93 3.96 2o1pB1 ASP 173 H -0.02 0.09 -0.30 -0.55 8.40 7.63 2o1pB1 ASP 173 HA -0.01 0.02 0.32 -0.75 4.63 4.20 2o1pB1 ASP 173 HB2 -0.01 0.02 0.06 -0.04 2.71 2.74 2o1pB1 ASP 173 HB3 -0.01 0.05 0.10 -0.04 2.70 2.80 2o1pB1 LYS 174 H -0.01 0.18 0.29 -0.55 8.42 8.32 2o1pB1 LYS 174 HA 0.04 0.17 0.25 -0.75 4.32 4.02 2o1pB1 LYS 174 HB2 0.05 -0.01 -0.00 -0.04 1.87 1.86 2o1pB1 LYS 174 HB3 0.05 0.08 0.15 -0.04 1.79 2.02 2o1pB1 LYS 174 HG2 -0.07 0.03 0.17 -0.04 1.46 1.55 2o1pB1 LYS 174 HG3 -0.08 -0.16 0.11 -0.04 1.46 1.29 2o1pB1 LYS 174 HD2 -0.33 -0.08 0.10 -0.04 1.69 1.34 2o1pB1 LYS 174 HD3 -0.48 0.01 0.01 -0.04 1.68 1.17 2o1pB1 LYS 174 HE2 -0.13 -0.09 0.09 -0.04 2.99 2.82 2o1pB1 LYS 174 HE3 -0.25 0.41 0.21 -0.04 2.99 3.31 2o1pB1 ASN 175 H -0.02 0.07 -0.20 -0.55 8.53 7.83 2o1pB1 ASN 175 HA 0.00 -0.00 0.37 -0.75 4.76 4.37 2o1pB1 ASN 175 HB2 -0.02 -0.01 0.04 -0.04 2.88 2.85 2o1pB1 ASN 175 HB3 -0.01 0.04 -0.04 -0.04 2.79 2.74 2o1pB1 ASN 175 HD21 -0.01 0.01 0.02 -0.04 7.03 7.01 2o1pB1 ASN 175 HD22 -0.01 0.01 0.02 -0.04 7.74 7.72 2o1pB1 LEU 176 H -0.01 0.57 -0.34 -0.55 8.37 8.05 2o1pB1 LEU 176 HA -0.01 -0.03 0.43 -0.75 4.35 3.99 2o1pB1 LEU 176 HB2 -0.03 0.15 -0.02 -0.04 1.64 1.70 2o1pB1 LEU 176 HB3 -0.03 -0.07 0.14 -0.04 1.64 1.64 2o1pB1 LEU 176 HG -0.01 0.03 0.06 -0.04 1.64 1.67 2o1pB1 LEU 176 HD13 -0.03 0.02 0.02 -0.04 0.93 0.90 2o1pB1 LEU 176 HD23 -0.01 -0.03 0.03 -0.04 0.89 0.84 2o1pB1 LEU 177 H 0.02 0.21 -0.76 -0.55 8.37 7.29 2o1pB1 LEU 177 HA -0.01 0.13 0.70 -0.75 4.35 4.42 2o1pB1 LEU 177 HB2 0.08 0.00 -0.00 -0.04 1.64 1.67 2o1pB1 LEU 177 HB3 0.02 -0.10 0.02 -0.04 1.64 1.53 2o1pB1 LEU 177 HG 0.02 0.13 -0.05 -0.04 1.64 1.70 2o1pB1 LEU 177 HD13 0.09 -0.03 -0.08 -0.04 0.93 0.87 2o1pB1 LEU 177 HD23 -0.04 -0.01 -0.11 -0.04 0.89 0.69 2o1pB1 ARG 178 H 0.01 0.42 0.07 -0.55 8.46 8.41 2o1pB1 ARG 178 HA 0.02 -0.04 0.51 -0.75 4.34 4.07 2o1pB1 ARG 178 HB2 0.01 0.13 0.18 -0.04 1.90 2.18 2o1pB1 ARG 178 HB3 0.01 -0.00 0.00 -0.04 1.80 1.77 2o1pB1 ARG 178 HG2 0.02 -0.11 0.13 -0.04 1.67 1.67 2o1pB1 ARG 178 HG3 0.02 0.02 0.12 -0.04 1.67 1.79 2o1pB1 ARG 178 HD2 0.01 -0.02 0.06 -0.04 3.22 3.22 2o1pB1 ARG 178 HD3 0.01 -0.01 0.07 -0.04 3.22 3.24 2o1pB1 ASN 179 H 0.00 0.08 0.21 -0.55 8.53 8.27 2o1pB1 ASN 179 HA -0.00 -0.02 0.34 -0.75 4.76 4.32 2o1pB1 ASN 179 HB2 -0.00 0.20 -0.02 -0.04 2.88 3.01 2o1pB1 ASN 179 HB3 -0.00 -0.02 0.13 -0.04 2.79 2.85 2o1pB1 ASN 179 HD21 0.00 -0.02 -0.09 -0.04 7.03 6.88 2o1pB1 ASN 179 HD22 -0.00 0.11 -0.19 -0.04 7.74 7.62 2o1pB1 LEU 180 H -0.01 0.31 -0.60 -0.55 8.37 7.52 2o1pB1 LEU 180 HA -0.02 0.08 0.69 -0.75 4.35 4.33 2o1pB1 LEU 180 HB2 -0.03 -0.02 -0.09 -0.04 1.64 1.45 2o1pB1 LEU 180 HB3 -0.04 -0.04 0.08 -0.04 1.64 1.60 2o1pB1 LEU 180 HG -0.02 0.10 -0.24 -0.04 1.64 1.44 2o1pB1 LEU 180 HD13 -0.04 0.06 0.01 -0.04 0.93 0.92 2o1pB1 LEU 180 HD23 -0.03 0.06 0.04 -0.04 0.89 0.92 2o1pB1 ASP 181 H -0.03 0.10 0.15 -0.55 8.40 8.08 2o1pB1 ASP 181 HA -0.02 0.24 0.79 -0.75 4.63 4.88 2o1pB1 ASP 181 HB2 -0.02 -0.11 0.19 -0.04 2.71 2.73 2o1pB1 ASP 181 HB3 -0.02 0.12 0.08 -0.04 2.70 2.83 2o1pB1 GLU 182 H -0.03 0.18 0.16 -0.55 8.60 8.36 2o1pB1 GLU 182 HA -0.04 0.09 0.32 -0.75 4.29 3.90 2o1pB1 LYS 183 H -0.06 0.09 -0.03 -0.55 8.42 7.87 2o1pB1 LYS 183 HA -0.14 0.09 0.42 -0.75 4.32 3.94 2o1pB1 LYS 183 HB2 -0.06 -0.07 0.14 -0.04 1.87 1.84 2o1pB1 LYS 183 HB3 -0.08 0.09 0.10 -0.04 1.79 1.86 2o1pB1 LYS 183 HG2 -0.08 -0.07 0.13 -0.04 1.46 1.39 2o1pB1 LYS 183 HG3 -0.04 -0.00 0.10 -0.04 1.46 1.47 2o1pB1 LYS 183 HD2 -0.06 0.02 0.14 -0.04 1.69 1.74 2o1pB1 LYS 183 HD3 -0.17 -0.02 0.19 -0.04 1.68 1.65 2o1pB1 LYS 183 HE2 -0.06 -0.08 0.08 -0.04 2.99 2.89 2o1pB1 LYS 183 HE3 -0.14 0.33 0.19 -0.04 2.99 3.33 2o1pB1 ASP 184 H -0.07 0.16 -0.22 -0.55 8.40 7.73 2o1pB1 ASP 184 HA -0.10 0.07 0.55 -0.75 4.63 4.40 2o1pB1 ASP 184 HB2 -0.06 0.02 0.13 -0.04 2.71 2.77 2o1pB1 ASP 184 HB3 -0.07 0.14 0.13 -0.04 2.70 2.86 2o1pB1 LEU 185 H -0.07 0.41 -0.10 -0.55 8.37 8.06 2o1pB1 LEU 185 HA -0.07 0.10 0.58 -0.75 4.35 4.21 2o1pB1 LEU 185 HB2 -0.06 0.02 0.06 -0.04 1.64 1.62 2o1pB1 LEU 185 HB3 -0.07 -0.00 -0.04 -0.04 1.64 1.49 2o1pB1 LEU 185 HG -0.05 0.06 -0.27 -0.04 1.64 1.35 2o1pB1 LEU 185 HD13 -0.05 -0.02 -0.08 -0.04 0.93 0.74 2o1pB1 LEU 185 HD23 -0.04 0.03 -0.03 -0.04 0.89 0.80 2o1pB1 ARG 186 H -0.09 0.61 -0.02 -0.55 8.46 8.40 2o1pB1 ARG 186 HA -0.08 0.02 0.44 -0.75 4.34 3.96 2o1pB1 ARG 186 HB2 -0.16 0.13 0.18 -0.04 1.90 2.01 2o1pB1 ARG 186 HB3 -0.14 -0.03 -0.03 -0.04 1.80 1.56 2o1pB1 ARG 186 HG2 -0.03 -0.03 0.02 -0.04 1.67 1.58 2o1pB1 ARG 186 HG3 -0.08 0.02 0.02 -0.04 1.67 1.59 2o1pB1 ARG 186 HD2 -0.42 0.05 -0.03 -0.04 3.22 2.78 2o1pB1 ARG 186 HD3 -0.17 -0.03 -0.04 -0.04 3.22 2.94 2o1pB1 ALA 187 H -0.12 0.57 -0.04 -0.55 8.40 8.27 2o1pB1 ALA 187 HA -0.13 -0.04 0.20 -0.75 4.34 3.61 2o1pB1 ALA 187 HB3 -0.12 0.01 0.01 -0.04 1.41 1.27 2o1pB1 LEU 188 H -0.13 0.28 -0.84 -0.55 8.37 7.14 2o1pB1 LEU 188 HA -0.17 0.02 0.36 -0.75 4.35 3.81 2o1pB1 LEU 188 HB2 -0.11 0.38 0.14 -0.04 1.64 2.01 2o1pB1 LEU 188 HB3 -0.11 0.02 -0.06 -0.04 1.64 1.45 2o1pB1 LEU 188 HG -0.14 -0.06 -0.05 -0.04 1.64 1.34 2o1pB1 LEU 188 HD13 -0.13 -0.03 -0.13 -0.04 0.93 0.60 2o1pB1 LEU 188 HD23 -0.08 0.02 -0.09 -0.04 0.89 0.70 2o1pB1 ASN 189 H -0.14 0.52 -0.11 -0.55 8.53 8.26 2o1pB1 ASN 189 HA -0.11 0.05 0.21 -0.75 4.76 4.16 2o1pB1 ASN 189 HB2 -0.09 0.20 0.12 -0.04 2.88 3.06 2o1pB1 ASN 189 HB3 -0.10 -0.01 0.07 -0.04 2.79 2.71 2o1pB1 ASN 189 HD21 -0.07 0.07 -0.20 -0.04 7.03 6.79 2o1pB1 ASN 189 HD22 -0.08 0.06 -0.07 -0.04 7.74 7.61 2o1pB1 GLY 190 H -0.28 0.32 -0.26 -0.55 8.43 7.66 2o1pB1 GLY 190 HA2 -0.15 0.01 0.36 -0.51 4.01 3.72 2o1pB1 GLY 190 HA3 -0.62 0.05 0.22 -0.51 4.01 3.16 2o1pB1 THR 191 H -0.32 0.30 -0.23 -0.55 8.28 7.48 2o1pB1 THR 191 HA 0.05 -0.01 0.38 -0.75 4.39 4.06 2o1pB1 THR 191 HB -0.21 0.16 0.05 -0.04 4.32 4.28 2o1pB1 THR 191 HG23 -0.12 0.03 -0.11 -0.04 1.22 0.98 2o1pB1 ARG 192 H -0.14 0.45 -0.12 -0.55 8.46 8.10 2o1pB1 ARG 192 HA -0.08 -0.01 0.33 -0.75 4.34 3.83 2o1pB1 ARG 192 HB2 -0.08 0.08 0.03 -0.04 1.90 1.89 2o1pB1 ARG 192 HB3 -0.04 -0.02 -0.10 -0.04 1.80 1.59 2o1pB1 ARG 192 HG2 -0.08 0.03 -0.14 -0.04 1.67 1.44 2o1pB1 ARG 192 HG3 -0.13 -0.05 -0.05 -0.04 1.67 1.40 2o1pB1 ARG 192 HD2 -0.07 0.04 -0.11 -0.04 3.22 3.04 2o1pB1 ARG 192 HD3 -0.08 -0.02 -0.20 -0.04 3.22 2.88 2o1pB1 VAL 193 H -0.05 0.50 -0.34 -0.55 8.24 7.79 2o1pB1 VAL 193 HA -0.02 -0.01 0.43 -0.75 4.13 3.78 2o1pB1 VAL 193 HB -0.02 0.09 0.15 -0.04 2.12 2.30 2o1pB1 VAL 193 HG13 -0.00 -0.03 -0.05 -0.04 0.97 0.84 2o1pB1 VAL 193 HG23 -0.04 0.04 -0.01 -0.04 0.95 0.91 2o1pB1 THR 194 H 0.03 0.51 0.02 -0.55 8.28 8.29 2o1pB1 THR 194 HA 0.07 -0.00 0.39 -0.75 4.39 4.09 2o1pB1 THR 194 HB 0.10 0.12 0.25 -0.04 4.32 4.76 2o1pB1 THR 194 HG23 0.11 -0.00 -0.14 -0.04 1.22 1.15 2o1pB1 ASP 195 H 0.03 0.55 -0.02 -0.55 8.40 8.41 2o1pB1 ASP 195 HA 0.02 0.01 0.36 -0.75 4.63 4.27 2o1pB1 ASP 195 HB2 -0.01 0.13 0.07 -0.04 2.71 2.85 2o1pB1 ASP 195 HB3 0.00 -0.04 -0.05 -0.04 2.70 2.56 2o1pB1 GLU 196 H -0.01 0.39 -0.39 -0.55 8.60 8.04 2o1pB1 GLU 196 HA -0.03 0.02 0.43 -0.75 4.29 3.97 2o1pB1 GLU 196 HB2 -0.01 0.03 0.14 -0.04 2.09 2.20 2o1pB1 GLU 196 HB3 -0.02 -0.02 -0.04 -0.04 1.99 1.87 2o1pB1 GLU 196 HG2 -0.01 -0.09 -0.03 -0.04 2.34 2.17 2o1pB1 GLU 196 HG3 -0.01 0.37 0.08 -0.04 2.34 2.74 2o1pB1 ILE 197 H -0.02 0.59 -0.02 -0.55 8.25 8.25 2o1pB1 ILE 197 HA -0.08 0.02 0.37 -0.75 4.18 3.73 2o1pB1 ILE 197 HB -0.00 0.15 0.17 -0.04 1.89 2.17 2o1pB1 ILE 197 HG12 0.00 -0.02 -0.00 -0.04 1.49 1.43 2o1pB1 ILE 197 HG13 -0.00 0.08 0.09 -0.04 1.21 1.33 2o1pB1 ILE 197 HG23 -0.11 -0.02 -0.15 -0.04 0.93 0.60 2o1pB1 ILE 197 HD13 0.07 -0.05 -0.09 -0.04 0.88 0.76 2o1pB1 LEU 198 H -0.06 0.41 -0.27 -0.55 8.37 7.90 2o1pB1 LEU 198 HA -0.22 0.03 0.51 -0.75 4.35 3.92 2o1pB1 LEU 198 HB2 -0.03 0.08 0.09 -0.04 1.64 1.74 2o1pB1 LEU 198 HB3 -0.04 -0.04 0.03 -0.04 1.64 1.55 2o1pB1 LEU 198 HG -0.00 -0.03 -0.07 -0.04 1.64 1.49 2o1pB1 LEU 198 HD13 0.04 -0.00 -0.12 -0.04 0.93 0.80 2o1pB1 LEU 198 HD23 0.01 0.02 0.03 -0.04 0.89 0.90 2o1pB1 GLU 199 H -0.07 0.40 -0.25 -0.55 8.60 8.14 2o1pB1 GLU 199 HA -0.06 0.03 0.52 -0.75 4.29 4.03 2o1pB1 GLU 199 HB2 -0.04 0.12 0.18 -0.04 2.09 2.30 2o1pB1 GLU 199 HB3 -0.04 -0.09 0.11 -0.04 1.99 1.92 2o1pB1 GLU 199 HG2 -0.02 -0.08 0.04 -0.04 2.34 2.23 2o1pB1 GLU 199 HG3 -0.02 0.01 -0.00 -0.04 2.34 2.28 2o1pB1 LEU 200 H -0.12 0.26 -0.55 -0.55 8.37 7.40 2o1pB1 LEU 200 HA -0.09 0.10 0.68 -0.75 4.35 4.28 2o1pB1 LEU 200 HB2 -0.08 0.03 0.00 -0.04 1.64 1.55 2o1pB1 LEU 200 HB3 -0.05 0.03 0.09 -0.04 1.64 1.67 2o1pB1 LEU 200 HG -0.05 0.04 -0.24 -0.04 1.64 1.36 2o1pB1 LEU 200 HD13 -0.02 -0.04 -0.23 -0.04 0.93 0.60 2o1pB1 LEU 200 HD23 -0.03 0.03 -0.11 -0.04 0.89 0.74 2o1pB1 VAL 201 H -0.15 0.20 -0.15 -0.55 8.24 7.58 2o1pB1 VAL 201 HA -0.08 0.34 0.92 -0.75 4.13 4.56 2o1pB1 VAL 201 HB -0.07 -0.07 -0.03 -0.04 2.12 1.91 2o1pB1 VAL 201 HG13 -0.43 0.07 -0.06 -0.04 0.97 0.51 2o1pB1 VAL 201 HG23 -0.26 -0.02 -0.15 -0.04 0.95 0.49 2o1pB1 PRO 202 HA -0.13 0.01 0.34 -0.51 4.44 4.15 2o1pB1 PRO 202 HB2 0.08 0.10 0.13 -0.04 2.28 2.55 2o1pB1 PRO 202 HB3 0.05 -0.05 0.06 -0.04 2.02 2.04 2o1pB1 PRO 202 HG2 0.14 0.17 -0.01 -0.04 2.03 2.29 2o1pB1 PRO 202 HG3 0.02 0.29 0.05 -0.04 2.03 2.35 2o1pB1 PRO 202 HD2 0.05 -0.05 -0.02 -0.04 3.68 3.63 2o1pB1 PRO 202 HD3 0.00 0.31 0.12 -0.04 3.65 4.04 2o1pB1 LYS 203 H 0.05 0.18 -0.10 -0.55 8.42 7.99 2o1pB1 LYS 203 HA 0.03 0.23 0.92 -0.75 4.32 4.75 2o1pB1 LYS 203 HB2 0.08 0.06 0.19 -0.04 1.87 2.16 2o1pB1 LYS 203 HB3 0.06 -0.21 0.08 -0.04 1.79 1.68 2o1pB1 LYS 203 HG2 0.05 0.07 -0.08 -0.04 1.46 1.46 2o1pB1 LYS 203 HG3 0.08 0.30 -0.01 -0.04 1.46 1.79 2o1pB1 LYS 203 HD2 0.06 -0.08 0.04 -0.04 1.69 1.67 2o1pB1 LYS 203 HD3 0.05 -0.07 0.03 -0.04 1.68 1.64 2o1pB1 LYS 203 HE2 0.07 0.06 0.02 -0.04 2.99 3.10 2o1pB1 LYS 203 HE3 0.07 0.04 0.09 -0.04 2.99 3.16 2o1pB1 PRO 204 HA 0.12 0.09 0.36 -0.51 4.44 4.50 2o1pB1 PRO 204 HB2 0.05 -0.04 0.08 -0.04 2.28 2.33 2o1pB1 PRO 204 HB3 0.04 0.10 0.10 -0.04 2.02 2.22 2o1pB1 PRO 204 HG2 0.00 0.03 0.10 -0.04 2.03 2.11 2o1pB1 PRO 204 HG3 -0.03 0.24 0.06 -0.04 2.03 2.27 2o1pB1 PRO 204 HD2 0.02 0.01 0.22 -0.04 3.68 3.88 2o1pB1 PRO 204 HD3 -0.00 0.44 0.08 -0.04 3.65 4.13 2o1pB1 ASN 205 H 0.06 0.18 -0.07 -0.55 8.53 8.15 2o1pB1 ASN 205 HA 0.06 0.11 0.42 -0.75 4.76 4.61 2o1pB1 ASN 205 HB2 0.03 -0.00 -0.00 -0.04 2.88 2.86 2o1pB1 ASN 205 HB3 0.03 0.05 0.11 -0.04 2.79 2.94 2o1pB1 ASN 205 HD21 0.04 0.08 -0.00 -0.04 7.03 7.10 2o1pB1 ASN 205 HD22 0.03 -0.01 -0.11 -0.04 7.74 7.61 2o1pB1 VAL 206 H 0.08 0.23 -0.29 -0.55 8.24 7.71 2o1pB1 VAL 206 HA 0.03 -0.06 0.50 -0.75 4.13 3.85 2o1pB1 VAL 206 HB 0.10 0.28 0.12 -0.04 2.12 2.57 2o1pB1 VAL 206 HG13 0.07 -0.00 -0.22 -0.04 0.97 0.78 2o1pB1 VAL 206 HG23 0.05 -0.00 0.05 -0.04 0.95 1.01 2o1pB1 PHE 207 H 0.22 0.38 -0.15 -0.55 8.34 8.24 2o1pB1 PHE 207 HA 0.02 0.02 0.31 -0.75 4.62 4.21 2o1pB1 PHE 207 HB2 0.03 0.02 0.01 -0.04 3.15 3.17 2o1pB1 PHE 207 HB3 0.02 0.12 0.15 -0.04 3.06 3.31 2o1pB1 PHE 207 HD2 0.03 0.06 -0.14 -0.04 7.28 7.19 2o1pB1 PHE 207 HE2 0.05 0.05 -0.06 -0.04 7.38 7.38 2o1pB1 PHE 207 HZ 0.06 -0.08 -0.08 -0.04 7.32 7.17 2o1pB1 ARG 208 H 0.11 0.49 -0.21 -0.55 8.46 8.30 2o1pB1 ARG 208 HA -0.24 0.03 0.35 -0.75 4.34 3.73 2o1pB1 ARG 208 HB2 0.04 0.05 0.16 -0.04 1.90 2.10 2o1pB1 ARG 208 HB3 0.00 0.05 -0.02 -0.04 1.80 1.79 2o1pB1 ARG 208 HG2 0.14 0.01 -0.05 -0.04 1.67 1.73 2o1pB1 ARG 208 HG3 0.17 0.14 0.01 -0.04 1.67 1.94 2o1pB1 ARG 208 HD2 0.06 -0.12 0.04 -0.04 3.22 3.16 2o1pB1 ARG 208 HD3 0.06 0.11 0.10 -0.04 3.22 3.44 2o1pB1 ILE 209 H -0.03 0.42 -0.14 -0.55 8.25 7.95 2o1pB1 ILE 209 HA -0.05 0.04 0.29 -0.75 4.18 3.70 2o1pB1 ILE 209 HB -0.04 0.05 0.18 -0.04 1.89 2.04 2o1pB1 ILE 209 HG12 0.02 0.30 0.15 -0.04 1.49 1.92 2o1pB1 ILE 209 HG13 0.00 -0.09 0.05 -0.04 1.21 1.13 2o1pB1 ILE 209 HG23 -0.08 -0.02 -0.12 -0.04 0.93 0.67 2o1pB1 ILE 209 HD13 0.13 -0.01 -0.02 -0.04 0.88 0.95 2o1pB1 ALA 210 H -0.12 0.52 -0.15 -0.55 8.40 8.11 2o1pB1 ALA 210 HA -0.18 -0.01 0.41 -0.75 4.34 3.82 2o1pB1 ALA 210 HB3 -0.14 0.01 0.03 -0.04 1.41 1.28 2o1pB1 LEU 211 H -0.36 0.66 -0.17 -0.55 8.37 7.95 2o1pB1 LEU 211 HA -0.22 -0.02 0.49 -0.75 4.35 3.84 2o1pB1 LEU 211 HB2 -0.80 0.12 0.11 -0.04 1.64 1.03 2o1pB1 LEU 211 HB3 -0.39 0.10 0.14 -0.04 1.64 1.44 2o1pB1 LEU 211 HG -0.10 -0.02 -0.16 -0.04 1.64 1.31 2o1pB1 LEU 211 HD13 0.02 -0.03 -0.05 -0.04 0.93 0.82 2o1pB1 LEU 211 HD23 -0.11 -0.00 -0.05 -0.04 0.89 0.68 2o1pB1 ARG 212 H -0.20 0.83 -0.01 -0.55 8.46 8.53 2o1pB1 ARG 212 HA -0.18 0.00 0.36 -0.75 4.34 3.77 2o1pB1 ARG 212 HB2 -0.21 0.13 0.14 -0.04 1.90 1.93 2o1pB1 ARG 212 HB3 -0.32 -0.07 -0.01 -0.04 1.80 1.36 2o1pB1 ARG 212 HG2 -0.25 0.08 0.06 -0.04 1.67 1.52 2o1pB1 ARG 212 HG3 -0.17 0.08 0.07 -0.04 1.67 1.62 2o1pB1 ARG 212 HD2 -0.09 -0.08 -0.11 -0.04 3.22 2.89 2o1pB1 ARG 212 HD3 -0.66 -0.07 -0.08 -0.04 3.22 2.37 2o1pB1 ALA 213 H -0.16 0.38 -0.46 -0.55 8.40 7.62 2o1pB1 ALA 213 HA -0.13 0.00 0.39 -0.75 4.34 3.85 2o1pB1 ALA 213 HB3 -0.00 0.03 0.07 -0.04 1.41 1.47 2o1pB1 ILE 214 H -0.15 0.56 -0.02 -0.55 8.25 8.09 2o1pB1 ILE 214 HA 0.07 0.03 0.47 -0.75 4.18 4.00 2o1pB1 ILE 214 HB -0.27 0.12 0.14 -0.04 1.89 1.84 2o1pB1 ILE 214 HG12 -0.84 0.01 -0.04 -0.04 1.49 0.58 2o1pB1 ILE 214 HG13 -0.59 -0.03 -0.03 -0.04 1.21 0.53 2o1pB1 ILE 214 HG23 -0.02 -0.02 -0.15 -0.04 0.93 0.71 2o1pB1 ILE 214 HD13 -1.38 0.01 -0.05 -0.04 0.88 -0.59 2o1pB1 LYS 215 H -0.05 0.67 -0.03 -0.55 8.42 8.44 2o1pB1 LYS 215 HA -0.01 -0.05 0.36 -0.75 4.32 3.86 2o1pB1 LYS 215 HB2 -0.11 0.18 0.06 -0.04 1.87 1.96 2o1pB1 LYS 215 HB3 -0.14 -0.07 -0.02 -0.04 1.79 1.52 2o1pB1 LYS 215 HG2 0.16 -0.07 -0.01 -0.04 1.46 1.51 2o1pB1 LYS 215 HG3 0.00 0.10 -0.10 -0.04 1.46 1.42 2o1pB1 LYS 215 HD2 0.28 -0.09 -0.01 -0.04 1.69 1.82 2o1pB1 LYS 215 HD3 0.13 -0.06 -0.06 -0.04 1.68 1.65 2o1pB1 LYS 215 HE2 -0.07 -0.00 -0.03 -0.04 2.99 2.85 2o1pB1 LYS 215 HE3 0.05 -0.14 -0.04 -0.04 2.99 2.82 2o1pB1 LEU 216 H -0.12 0.48 -0.32 -0.55 8.37 7.87 2o1pB1 LEU 216 HA -0.19 -0.02 0.37 -0.75 4.35 3.75 2o1pB1 LEU 216 HB2 -0.33 0.04 0.12 -0.04 1.64 1.42 2o1pB1 LEU 216 HB3 -0.38 0.10 0.19 -0.04 1.64 1.51 2o1pB1 LEU 216 HG -0.26 0.02 -0.19 -0.04 1.64 1.16 2o1pB1 LEU 216 HD13 -0.22 -0.01 0.04 -0.04 0.93 0.70 2o1pB1 LEU 216 HD23 -1.23 -0.01 -0.02 -0.04 0.89 -0.41 2o1pB1 TRP 217 H 0.36 0.62 -0.04 -0.55 7.97 8.37 2o1pB1 TRP 217 HA 0.18 0.03 0.33 -0.75 4.62 4.41 2o1pB1 TRP 217 HB2 0.37 -0.05 0.02 -0.04 3.23 3.53 2o1pB1 TRP 217 HB3 0.14 0.09 0.18 -0.04 3.23 3.59 2o1pB1 TRP 217 HD1 0.02 0.22 -0.04 -0.04 7.22 7.37 2o1pB1 TRP 217 HE1 -0.10 0.01 -0.02 -0.04 10.20 10.05 2o1pB1 TRP 217 HE3 -0.25 0.12 0.01 -0.04 7.59 7.43 2o1pB1 TRP 217 HZ2 0.19 0.01 -0.23 -0.04 7.44 7.37 2o1pB1 TRP 217 HZ3 -0.66 -0.03 -0.08 -0.04 7.13 6.32 2o1pB1 TRP 217 HH2 0.52 0.03 -0.10 -0.04 7.19 7.60 2o1pB1 ALA 218 H 0.04 0.85 -0.09 -0.55 8.40 8.65 2o1pB1 ALA 218 HA -1.01 0.02 0.31 -0.75 4.34 2.91 2o1pB1 ALA 218 HB3 -0.52 0.01 -0.08 -0.04 1.41 0.79 2o1pB1 GLN 219 H -0.26 0.61 -0.12 -0.55 8.47 8.15 2o1pB1 GLN 219 HA -0.23 -0.11 0.50 -0.75 4.36 3.76 2o1pB1 GLN 219 HB2 -0.25 0.27 0.22 -0.04 2.15 2.34 2o1pB1 GLN 219 HB3 -0.21 -0.02 0.00 -0.04 2.02 1.76 2o1pB1 GLN 219 HG2 -0.31 -0.05 0.03 -0.04 2.40 2.02 2o1pB1 GLN 219 HG3 -0.60 -0.11 0.04 -0.04 2.39 1.67 2o1pB1 GLN 219 HE21 -0.45 -0.04 -0.04 -0.04 6.97 6.40 2o1pB1 GLN 219 HE22 -0.78 -0.08 -0.01 -0.04 7.69 6.77 2o1pB1 ARG 220 H -0.16 0.62 -0.04 -0.55 8.46 8.33 2o1pB1 ARG 220 HA -0.08 -0.05 0.38 -0.75 4.34 3.84 2o1pB1 ARG 220 HB2 -0.02 0.10 0.05 -0.04 1.90 1.99 2o1pB1 ARG 220 HB3 0.00 0.04 -0.27 -0.04 1.80 1.53 2o1pB1 ARG 220 HG2 -0.05 -0.01 0.08 -0.04 1.67 1.65 2o1pB1 ARG 220 HG3 0.07 0.09 -0.01 -0.04 1.67 1.78 2o1pB1 ARG 220 HD2 0.04 0.04 0.04 -0.04 3.22 3.30 2o1pB1 ARG 220 HD3 -0.01 -0.11 0.06 -0.04 3.22 3.12 2o1pB1 ARG 221 H -0.41 0.53 -0.27 -0.55 8.46 7.75 2o1pB1 ARG 221 HA -0.17 0.05 0.64 -0.75 4.34 4.11 2o1pB1 ARG 221 HB2 -0.90 0.02 0.04 -0.04 1.90 1.02 2o1pB1 ARG 221 HB3 -0.39 -0.09 0.12 -0.04 1.80 1.40 2o1pB1 ARG 221 HG2 -0.69 0.19 0.03 -0.04 1.67 1.16 2o1pB1 ARG 221 HG3 -0.57 -0.08 -0.01 -0.04 1.67 0.97 2o1pB1 ARG 221 HD2 -0.10 -0.03 -0.29 -0.04 3.22 2.75 2o1pB1 ARG 221 HD3 -0.01 0.19 -0.06 -0.04 3.22 3.30 2o1pB1 ALA 222 H -0.29 0.41 -0.45 -0.55 8.40 7.53 2o1pB1 ALA 222 HA -0.37 -0.03 0.39 -0.75 4.34 3.58 2o1pB1 ALA 222 HB3 -0.31 0.02 0.10 -0.04 1.41 1.18 2o1pB1 VAL 223 H -0.39 0.66 -0.01 -0.55 8.24 7.96 2o1pB1 VAL 223 HA -1.27 0.18 0.79 -0.75 4.13 3.08 2o1pB1 VAL 223 HB 0.08 -0.04 0.14 -0.04 2.12 2.26 2o1pB1 VAL 223 HG13 -0.38 0.05 -0.26 -0.04 0.97 0.34 2o1pB1 VAL 223 HG23 -0.47 -0.00 -0.04 -0.04 0.95 0.39 2o1pB1 TYR 224 H -0.09 0.05 -0.15 -0.55 8.29 7.56 2o1pB1 TYR 224 HA 0.38 0.36 0.89 -0.75 4.56 5.43 2o1pB1 TYR 224 HB2 -0.13 0.01 -0.30 -0.04 3.06 2.60 2o1pB1 TYR 224 HB3 -0.05 -0.01 -0.06 -0.04 2.98 2.82 2o1pB1 TYR 224 HD2 -0.07 0.02 -0.14 -0.04 7.15 6.92 2o1pB1 TYR 224 HE2 0.06 -0.03 -0.01 -0.04 6.85 6.83 2o1pB1 ALA 225 H 0.13 0.10 -0.07 -0.55 8.40 8.02 2o1pB1 ALA 225 HA 0.15 0.03 0.52 -0.75 4.34 4.28 2o1pB1 ALA 225 HB3 0.28 0.02 0.09 -0.04 1.41 1.76 2o1pB1 ASN 226 H -0.00 0.11 0.15 -0.55 8.53 8.24 2o1pB1 ASN 226 HA -0.05 0.60 0.40 -0.75 4.76 4.95 2o1pB1 ASN 226 HB2 -0.10 -0.10 0.15 -0.04 2.88 2.78 2o1pB1 ASN 226 HB3 -0.07 -0.07 0.12 -0.04 2.79 2.74 2o1pB1 ASN 226 HD21 -0.16 0.01 -0.09 -0.04 7.03 6.76 2o1pB1 ASN 226 HD22 -0.10 -0.02 -0.22 -0.04 7.74 7.35 2o1pB1 ILE 227 H -0.07 0.05 -0.17 -0.55 8.25 7.51 2o1pB1 ILE 227 HA -0.18 0.09 0.48 -0.75 4.18 3.82 2o1pB1 ILE 227 HB -0.19 -0.06 0.08 -0.04 1.89 1.69 2o1pB1 ILE 227 HG12 -0.36 0.01 -0.07 -0.04 1.49 1.02 2o1pB1 ILE 227 HG13 -0.52 0.08 -0.07 -0.04 1.21 0.66 2o1pB1 ILE 227 HG23 -0.47 0.00 -0.06 -0.04 0.93 0.36 2o1pB1 ILE 227 HD13 -0.19 -0.01 0.08 -0.04 0.88 0.72 2o1pB1 PHE 228 H 0.08 0.24 -0.40 -0.55 8.34 7.71 2o1pB1 PHE 228 HA -0.04 0.13 0.67 -0.75 4.62 4.63 2o1pB1 PHE 228 HB2 0.15 0.02 -0.02 -0.04 3.15 3.26 2o1pB1 PHE 228 HB3 0.07 0.04 0.07 -0.04 3.06 3.20 2o1pB1 PHE 228 HD2 0.01 -0.07 -0.02 -0.04 7.28 7.16 2o1pB1 PHE 228 HE2 -0.02 0.01 -0.04 -0.04 7.38 7.29 2o1pB1 PHE 228 HZ -0.01 -0.05 -0.10 -0.04 7.32 7.11 2o1pB1 GLY 229 H -0.07 0.36 -0.38 -0.55 8.43 7.79 2o1pB1 GLY 229 HA2 -0.20 -0.01 0.01 -0.51 4.01 3.30 2o1pB1 GLY 229 HA3 -0.27 0.07 0.53 -0.51 4.01 3.83 2o1pB1 PHE 230 H 0.07 0.27 -0.21 -0.55 8.34 7.92 2o1pB1 PHE 230 HA -0.08 0.21 0.77 -0.75 4.62 4.77 2o1pB1 PHE 230 HB2 0.06 -0.16 -0.55 -0.04 3.15 2.45 2o1pB1 PHE 230 HB3 0.11 0.28 -0.18 -0.04 3.06 3.23 2o1pB1 PHE 230 HD2 0.03 -0.02 -0.09 -0.04 7.28 7.16 2o1pB1 PHE 230 HE2 -0.04 0.03 -0.00 -0.04 7.38 7.33 2o1pB1 PHE 230 HZ -0.00 -0.03 0.03 -0.04 7.32 7.28 2o1pB1 PRO 231 HA -0.30 -0.02 0.46 -0.51 4.44 4.08 2o1pB1 PRO 231 HB2 -1.46 0.02 -0.05 -0.04 2.28 0.75 2o1pB1 PRO 231 HB3 -0.71 -0.05 0.03 -0.04 2.02 1.26 2o1pB1 PRO 231 HG2 -1.37 0.07 0.04 -0.04 2.03 0.72 2o1pB1 PRO 231 HG3 -0.52 0.06 0.03 -0.04 2.03 1.56 2o1pB1 PRO 231 HD2 0.37 0.39 0.16 -0.04 3.68 4.56 2o1pB1 PRO 231 HD3 0.09 0.13 0.16 -0.04 3.65 3.99 2o1pB1 GLY 232 H -0.22 0.05 0.18 -0.55 8.43 7.89 2o1pB1 GLY 232 HA2 -0.30 0.50 0.87 -0.51 4.01 4.57 2o1pB1 GLY 232 HA3 -0.15 -0.09 0.46 -0.51 4.01 3.72 2o1pB1 GLY 233 H -0.15 0.15 0.18 -0.55 8.43 8.06 2o1pB1 GLY 233 HA2 0.17 0.15 0.33 -0.51 4.01 4.15 2o1pB1 GLY 233 HA3 0.15 0.04 0.33 -0.51 4.01 4.02 2o1pB1 VAL 234 H 0.04 0.09 -0.04 -0.55 8.24 7.78 2o1pB1 VAL 234 HA 0.10 0.09 0.49 -0.75 4.13 4.06 2o1pB1 VAL 234 HB -0.00 -0.01 0.05 -0.04 2.12 2.12 2o1pB1 VAL 234 HG13 0.02 0.03 -0.12 -0.04 0.97 0.86 2o1pB1 VAL 234 HG23 0.08 -0.00 0.04 -0.04 0.95 1.03 2o1pB1 ALA 235 H -0.09 0.07 -0.29 -0.55 8.40 7.54 2o1pB1 ALA 235 HA -0.10 0.08 0.43 -0.75 4.34 3.99 2o1pB1 ALA 235 HB3 -0.32 0.05 0.03 -0.04 1.41 1.13 2o1pB1 TRP 236 H -0.08 0.48 -0.09 -0.55 7.97 7.73 2o1pB1 TRP 236 HA 0.21 0.08 0.43 -0.75 4.62 4.59 2o1pB1 TRP 236 HB2 0.12 0.02 0.02 -0.04 3.23 3.35 2o1pB1 TRP 236 HB3 0.20 -0.02 -0.10 -0.04 3.23 3.27 2o1pB1 TRP 236 HD1 -0.27 -0.11 -0.36 -0.04 7.22 6.44 2o1pB1 TRP 236 HE1 -0.05 0.33 0.08 -0.04 10.20 10.52 2o1pB1 TRP 236 HE3 0.57 -0.08 -0.02 -0.04 7.59 8.02 2o1pB1 TRP 236 HZ2 0.10 0.23 0.09 -0.04 7.44 7.81 2o1pB1 TRP 236 HZ3 1.00 0.02 -0.06 -0.04 7.13 8.05 2o1pB1 TRP 236 HH2 0.37 0.03 -0.01 -0.04 7.19 7.54 2o1pB1 ALA 237 H 0.26 0.42 -0.27 -0.55 8.40 8.26 2o1pB1 ALA 237 HA 0.22 0.02 0.42 -0.75 4.34 4.24 2o1pB1 ALA 237 HB3 0.23 0.04 0.08 -0.04 1.41 1.72 2o1pB1 MET 238 H 0.12 0.50 -0.15 -0.55 8.47 8.39 2o1pB1 MET 238 HA 0.11 0.02 0.42 -0.75 4.52 4.32 2o1pB1 MET 238 HB2 -0.01 0.07 0.07 -0.04 2.15 2.24 2o1pB1 MET 238 HB3 -0.00 0.00 -0.08 -0.04 2.03 1.90 2o1pB1 MET 238 HG2 0.02 -0.02 -0.01 -0.04 2.63 2.58 2o1pB1 MET 238 HG3 0.04 0.16 0.04 -0.04 2.56 2.76 2o1pB1 MET 238 HE3 -0.07 0.00 -0.27 -0.04 2.10 1.72 2o1pB1 LEU 239 H 0.13 0.60 -0.16 -0.55 8.37 8.39 2o1pB1 LEU 239 HA 0.01 0.02 0.43 -0.75 4.35 4.05 2o1pB1 LEU 239 HB2 0.26 0.04 0.21 -0.04 1.64 2.12 2o1pB1 LEU 239 HB3 0.49 -0.00 -0.01 -0.04 1.64 2.08 2o1pB1 LEU 239 HG -0.01 0.02 -0.03 -0.04 1.64 1.58 2o1pB1 LEU 239 HD13 -0.12 -0.01 -0.04 -0.04 0.93 0.72 2o1pB1 LEU 239 HD23 -0.34 -0.01 -0.14 -0.04 0.89 0.36 2o1pB1 VAL 240 H 0.35 0.66 -0.14 -0.55 8.24 8.57 2o1pB1 VAL 240 HA 0.38 0.00 0.35 -0.75 4.13 4.10 2o1pB1 VAL 240 HB 0.14 0.11 0.10 -0.04 2.12 2.42 2o1pB1 VAL 240 HG13 -0.02 -0.03 -0.15 -0.04 0.97 0.74 2o1pB1 VAL 240 HG23 -0.04 0.03 -0.06 -0.04 0.95 0.84 2o1pB1 ALA 241 H 0.34 0.51 -0.18 -0.55 8.40 8.53 2o1pB1 ALA 241 HA 0.23 -0.04 0.40 -0.75 4.34 4.17 2o1pB1 ALA 241 HB3 0.06 0.05 0.07 -0.04 1.41 1.54 2o1pB1 ARG 242 H 0.09 0.54 -0.21 -0.55 8.46 8.34 2o1pB1 ARG 242 HA 0.06 0.06 0.34 -0.75 4.34 4.04 2o1pB1 ARG 242 HB2 -0.01 -0.00 0.02 -0.04 1.90 1.87 2o1pB1 ARG 242 HB3 -0.04 0.10 0.08 -0.04 1.80 1.91 2o1pB1 ARG 242 HG2 -0.11 -0.02 -0.04 -0.04 1.67 1.45 2o1pB1 ARG 242 HG3 0.08 -0.02 -0.12 -0.04 1.67 1.57 2o1pB1 ARG 242 HD2 0.05 0.05 -0.04 -0.04 3.22 3.23 2o1pB1 ARG 242 HD3 0.13 -0.08 0.05 -0.04 3.22 3.28 2o1pB1 ILE 243 H 0.14 0.35 -0.27 -0.55 8.25 7.93 2o1pB1 ILE 243 HA 0.18 0.05 0.38 -0.75 4.18 4.03 2o1pB1 ILE 243 HB 0.21 0.06 0.03 -0.04 1.89 2.15 2o1pB1 ILE 243 HG12 0.13 0.30 0.09 -0.04 1.49 1.97 2o1pB1 ILE 243 HG13 0.09 -0.08 0.01 -0.04 1.21 1.20 2o1pB1 ILE 243 HG23 0.19 -0.02 -0.10 -0.04 0.93 0.96 2o1pB1 ILE 243 HD13 -0.03 -0.02 -0.13 -0.04 0.88 0.66 2o1pB1 CYS 244 H 0.19 0.53 -0.14 -0.55 8.50 8.52 2o1pB1 CYS 244 HA 0.18 -0.03 0.45 -0.75 4.58 4.42 2o1pB1 CYS 244 HB2 0.16 0.24 0.18 -0.04 2.97 3.51 2o1pB1 CYS 244 HB3 0.14 -0.10 0.00 -0.04 2.97 2.97 2o1pB1 GLN 245 H 0.11 0.49 -0.21 -0.55 8.47 8.32 2o1pB1 GLN 245 HA 0.12 0.16 0.43 -0.75 4.36 4.32 2o1pB1 GLN 245 HB2 0.09 0.09 -0.02 -0.04 2.15 2.27 2o1pB1 GLN 245 HB3 0.10 -0.15 -0.42 -0.04 2.02 1.52 2o1pB1 GLN 245 HG2 0.01 0.24 0.12 -0.04 2.40 2.72 2o1pB1 GLN 245 HG3 0.05 0.18 0.11 -0.04 2.39 2.69 2o1pB1 GLN 245 HE21 0.00 0.24 0.24 -0.04 6.97 7.42 2o1pB1 GLN 245 HE22 -0.02 0.43 0.22 -0.04 7.69 8.27 2o1pB1 LEU 246 H 0.12 0.25 -0.50 -0.55 8.37 7.69 2o1pB1 LEU 246 HA -0.07 0.13 0.37 -0.75 4.35 4.03 2o1pB1 LEU 246 HB2 0.08 0.12 0.12 -0.04 1.64 1.92 2o1pB1 LEU 246 HB3 -0.36 -0.17 0.09 -0.04 1.64 1.16 2o1pB1 LEU 246 HG 0.07 0.19 0.00 -0.04 1.64 1.86 2o1pB1 LEU 246 HD13 0.13 -0.04 -0.06 -0.04 0.93 0.93 2o1pB1 LEU 246 HD23 -0.02 0.03 -0.07 -0.04 0.89 0.79 2o1pB1 TYR 247 H 0.20 0.39 -0.35 -0.55 8.29 7.98 2o1pB1 TYR 247 HA 0.05 0.24 1.01 -0.75 4.56 5.10 2o1pB1 TYR 247 HB2 0.06 0.08 0.15 -0.04 3.06 3.31 2o1pB1 TYR 247 HB3 0.05 -0.17 0.15 -0.04 2.98 2.97 2o1pB1 TYR 247 HD2 0.04 0.14 -0.00 -0.04 7.15 7.28 2o1pB1 TYR 247 HE2 0.02 0.00 -0.05 -0.04 6.85 6.78 2o1pB1 PRO 248 HA 0.19 0.14 0.21 -0.51 4.44 4.47 2o1pB1 PRO 248 HB2 0.32 -0.06 -0.04 -0.04 2.28 2.45 2o1pB1 PRO 248 HB3 0.56 0.12 0.08 -0.04 2.02 2.73 2o1pB1 PRO 248 HG2 0.04 -0.08 0.06 -0.04 2.03 2.01 2o1pB1 PRO 248 HG3 -0.12 0.03 0.01 -0.04 2.03 1.91 2o1pB1 PRO 248 HD2 -0.00 0.27 0.05 -0.04 3.68 3.95 2o1pB1 PRO 248 HD3 0.08 0.37 -0.23 -0.04 3.65 3.83 2o1pB1 ASN 249 H 0.13 0.15 -0.35 -0.55 8.53 7.92 2o1pB1 ASN 249 HA 0.09 0.18 0.86 -0.75 4.76 5.15 2o1pB1 ASN 249 HB2 0.07 0.15 -0.31 -0.04 2.88 2.75 2o1pB1 ASN 249 HB3 0.07 -0.18 0.03 -0.04 2.79 2.66 2o1pB1 ASN 249 HD21 0.06 -0.06 -0.02 -0.04 7.03 6.97 2o1pB1 ASN 249 HD22 0.04 0.29 0.06 -0.04 7.74 8.08 2o1pB1 ALA 250 H 0.15 0.47 -0.13 -0.55 8.40 8.34 2o1pB1 ALA 250 HA 0.09 -0.02 0.58 -0.75 4.34 4.23 2o1pB1 ALA 250 HB3 0.10 0.02 0.08 -0.04 1.41 1.56 2o1pB1 CYS 251 H 0.07 0.00 0.17 -0.55 8.50 8.20 2o1pB1 CYS 251 HA 0.05 0.26 0.83 -0.75 4.58 4.97 2o1pB1 CYS 251 HB2 0.04 -0.01 0.16 -0.04 2.97 3.13 2o1pB1 CYS 251 HB3 0.05 0.07 0.12 -0.04 2.97 3.17 2o1pB1 SER 252 H 0.02 0.18 0.15 -0.55 8.46 8.26 2o1pB1 SER 252 HA 0.01 0.18 0.28 -0.75 4.49 4.21 2o1pB1 SER 252 HB2 -0.06 -0.03 0.06 -0.04 3.95 3.88 2o1pB1 SER 252 HB3 -0.07 0.03 0.03 -0.04 3.93 3.88 2o1pB1 ALA 253 H 0.06 0.02 -0.25 -0.55 8.40 7.68 2o1pB1 ALA 253 HA 0.15 0.13 0.36 -0.75 4.34 4.23 2o1pB1 ALA 253 HB3 0.28 0.01 -0.03 -0.04 1.41 1.63 2o1pB1 VAL 254 H 0.19 0.05 -0.18 -0.55 8.24 7.75 2o1pB1 VAL 254 HA 0.09 0.06 0.47 -0.75 4.13 4.00 2o1pB1 VAL 254 HB 0.06 0.04 0.14 -0.04 2.12 2.32 2o1pB1 VAL 254 HG13 -0.20 0.04 -0.13 -0.04 0.97 0.64 2o1pB1 VAL 254 HG23 0.17 -0.01 0.05 -0.04 0.95 1.11 2o1pB1 ILE 255 H 0.02 0.37 -0.26 -0.55 8.25 7.82 2o1pB1 ILE 255 HA -0.09 0.05 0.24 -0.75 4.18 3.63 2o1pB1 ILE 255 HB -0.01 0.06 0.08 -0.04 1.89 1.97 2o1pB1 ILE 255 HG12 0.04 0.03 -0.12 -0.04 1.49 1.40 2o1pB1 ILE 255 HG13 0.07 -0.03 -0.19 -0.04 1.21 1.02 2o1pB1 ILE 255 HG23 0.03 0.00 -0.20 -0.04 0.93 0.73 2o1pB1 ILE 255 HD13 0.14 0.04 -0.12 -0.04 0.88 0.89 2o1pB1 LEU 256 H -0.02 0.42 -0.26 -0.55 8.37 7.96 2o1pB1 LEU 256 HA -0.40 0.04 0.40 -0.75 4.35 3.64 2o1pB1 LEU 256 HB2 0.19 0.06 0.12 -0.04 1.64 1.97 2o1pB1 LEU 256 HB3 -0.09 -0.00 0.00 -0.04 1.64 1.51 2o1pB1 LEU 256 HG -0.11 0.21 0.08 -0.04 1.64 1.78 2o1pB1 LEU 256 HD13 -0.16 -0.02 -0.03 -0.04 0.93 0.67 2o1pB1 LEU 256 HD23 -0.34 -0.00 -0.00 -0.04 0.89 0.50 2o1pB1 ASN 257 H 0.07 0.39 -0.05 -0.55 8.53 8.38 2o1pB1 ASN 257 HA 0.09 0.03 0.46 -0.75 4.76 4.58 2o1pB1 ASN 257 HB2 -0.32 -0.02 0.11 -0.04 2.88 2.60 2o1pB1 ASN 257 HB3 -0.28 0.12 0.20 -0.04 2.79 2.78 2o1pB1 ASN 257 HD21 -0.19 0.01 -0.06 -0.04 7.03 6.75 2o1pB1 ASN 257 HD22 -0.13 -0.05 -0.05 -0.04 7.74 7.47 2o1pB1 ARG 258 H -0.16 0.70 -0.10 -0.55 8.46 8.35 2o1pB1 ARG 258 HA -0.09 -0.02 0.33 -0.75 4.34 3.81 2o1pB1 ARG 258 HB2 -0.29 0.09 0.04 -0.04 1.90 1.69 2o1pB1 ARG 258 HB3 -0.17 -0.01 0.01 -0.04 1.80 1.59 2o1pB1 ARG 258 HG2 -0.49 0.07 -0.08 -0.04 1.67 1.13 2o1pB1 ARG 258 HG3 -1.28 -0.00 -0.05 -0.04 1.67 0.30 2o1pB1 ARG 258 HD2 -0.14 0.01 -0.05 -0.04 3.22 2.99 2o1pB1 ARG 258 HD3 -0.24 -0.07 -0.13 -0.04 3.22 2.74 2o1pB1 PHE 259 H -0.02 0.67 -0.16 -0.55 8.34 8.28 2o1pB1 PHE 259 HA -0.15 -0.02 0.42 -0.75 4.62 4.12 2o1pB1 PHE 259 HB2 -0.25 0.04 0.09 -0.04 3.15 2.98 2o1pB1 PHE 259 HB3 -0.63 0.18 0.22 -0.04 3.06 2.79 2o1pB1 PHE 259 HD2 -0.74 0.04 -0.18 -0.04 7.28 6.36 2o1pB1 PHE 259 HE2 0.12 -0.03 -0.21 -0.04 7.38 7.21 2o1pB1 PHE 259 HZ 0.72 -0.03 -0.08 -0.04 7.32 7.89 2o1pB1 PHE 260 H -0.12 0.49 -0.18 -0.55 8.34 7.98 2o1pB1 PHE 260 HA -0.16 0.02 0.26 -0.75 4.62 3.98 2o1pB1 PHE 260 HB2 0.01 0.04 -0.02 -0.04 3.15 3.14 2o1pB1 PHE 260 HB3 0.09 0.17 0.00 -0.04 3.06 3.28 2o1pB1 PHE 260 HD2 0.11 0.00 -0.08 -0.04 7.28 7.27 2o1pB1 PHE 260 HE2 -0.98 -0.06 -0.08 -0.04 7.38 6.22 2o1pB1 PHE 260 HZ -1.31 -0.03 -0.06 -0.04 7.32 5.88 2o1pB1 ILE 261 H 0.08 0.47 -0.08 -0.55 8.25 8.18 2o1pB1 ILE 261 HA 0.08 0.03 0.41 -0.75 4.18 3.95 2o1pB1 ILE 261 HB 0.02 0.01 0.14 -0.04 1.89 2.02 2o1pB1 ILE 261 HG12 0.03 -0.05 0.03 -0.04 1.49 1.47 2o1pB1 ILE 261 HG13 0.03 0.33 0.10 -0.04 1.21 1.62 2o1pB1 ILE 261 HG23 0.03 -0.01 -0.09 -0.04 0.93 0.81 2o1pB1 ILE 261 HD13 -0.04 -0.03 -0.05 -0.04 0.88 0.72 2o1pB1 ILE 262 H 0.01 0.64 0.01 -0.55 8.25 8.37 2o1pB1 ILE 262 HA 0.07 -0.03 0.29 -0.75 4.18 3.76 2o1pB1 ILE 262 HB 0.03 0.22 0.15 -0.04 1.89 2.25 2o1pB1 ILE 262 HG12 0.17 -0.01 -0.00 -0.04 1.49 1.61 2o1pB1 ILE 262 HG13 0.10 -0.07 0.03 -0.04 1.21 1.23 2o1pB1 ILE 262 HG23 0.26 -0.01 -0.16 -0.04 0.93 0.98 2o1pB1 ILE 262 HD13 0.21 -0.01 0.03 -0.04 0.88 1.06 2o1pB1 LEU 263 H -0.22 0.55 -0.28 -0.55 8.37 7.87 2o1pB1 LEU 263 HA -0.09 0.02 0.33 -0.75 4.35 3.86 2o1pB1 LEU 263 HB2 -1.07 0.14 0.08 -0.04 1.64 0.75 2o1pB1 LEU 263 HB3 -0.71 -0.06 0.04 -0.04 1.64 0.87 2o1pB1 LEU 263 HG -0.69 0.13 0.08 -0.04 1.64 1.11 2o1pB1 LEU 263 HD13 -1.10 -0.02 -0.05 -0.04 0.93 -0.29 2o1pB1 LEU 263 HD23 -0.50 -0.02 -0.09 -0.04 0.89 0.25 2o1pB1 SER 264 H 0.02 0.48 -0.20 -0.55 8.46 8.21 2o1pB1 SER 264 HA 0.46 0.08 0.68 -0.75 4.49 4.95 2o1pB1 SER 264 HB2 0.29 -0.10 0.06 -0.04 3.95 4.17 2o1pB1 SER 264 HB3 0.33 0.00 0.03 -0.04 3.93 4.25 2o1pB1 GLU 265 H 0.10 0.40 -0.17 -0.55 8.60 8.39 2o1pB1 GLU 265 HA 0.09 0.08 0.71 -0.75 4.29 4.40 2o1pB1 GLU 265 HB2 0.04 0.12 0.04 -0.04 2.09 2.25 2o1pB1 GLU 265 HB3 -0.00 -0.09 0.00 -0.04 1.99 1.85 2o1pB1 GLU 265 HG2 0.04 -0.05 0.00 -0.04 2.34 2.29 2o1pB1 GLU 265 HG3 0.07 0.00 -0.08 -0.04 2.34 2.29 2o1pB1 TRP 266 H 0.15 0.14 -0.26 -0.55 7.97 7.45 2o1pB1 TRP 266 HA -0.34 -0.08 0.33 -0.75 4.62 3.78 2o1pB1 TRP 266 HB2 -0.47 0.10 0.15 -0.04 3.23 2.97 2o1pB1 TRP 266 HB3 -1.27 0.06 0.03 -0.04 3.23 2.01 2o1pB1 TRP 266 HD1 -2.08 -0.08 -0.40 -0.04 7.22 4.62 2o1pB1 TRP 266 HE1 -0.43 0.48 -0.33 -0.04 10.20 9.87 2o1pB1 TRP 266 HE3 -0.26 0.07 -0.14 -0.04 7.59 7.22 2o1pB1 TRP 266 HZ2 -0.13 0.16 -0.21 -0.04 7.44 7.22 2o1pB1 TRP 266 HZ3 -0.12 -0.03 -0.09 -0.04 7.13 6.85 2o1pB1 TRP 266 HH2 -0.09 -0.02 -0.05 -0.04 7.19 6.99 2o1pB1 ASN 267 H -0.89 0.07 0.10 -0.55 8.53 7.27 2o1pB1 ASN 267 HA -0.11 0.18 0.51 -0.75 4.76 4.59 2o1pB1 ASN 267 HB2 -0.27 0.02 0.13 -0.04 2.88 2.72 2o1pB1 ASN 267 HB3 -0.42 -0.05 0.20 -0.04 2.79 2.48 2o1pB1 ASN 267 HD21 -0.06 -0.03 0.02 -0.04 7.03 6.92 2o1pB1 ASN 267 HD22 -0.16 -0.03 0.06 -0.04 7.74 7.57 2o1pB1 TRP 268 H 0.01 0.53 0.01 -0.55 7.97 7.98 2o1pB1 TRP 268 HA 0.30 0.01 0.39 -0.75 4.62 4.56 2o1pB1 TRP 268 HB2 0.16 -0.05 0.10 -0.04 3.23 3.39 2o1pB1 TRP 268 HB3 0.16 0.26 0.15 -0.04 3.23 3.76 2o1pB1 TRP 268 HD1 0.20 -0.01 0.04 -0.04 7.22 7.41 2o1pB1 TRP 268 HE1 0.25 0.21 0.08 -0.04 10.20 10.70 2o1pB1 TRP 268 HE3 0.20 0.06 -0.14 -0.04 7.59 7.68 2o1pB1 TRP 268 HZ2 -0.18 -0.00 0.00 -0.04 7.44 7.22 2o1pB1 TRP 268 HZ3 -0.19 0.05 -0.19 -0.04 7.13 6.76 2o1pB1 TRP 268 HH2 -0.56 -0.09 -0.11 -0.04 7.19 6.39 2o1pB1 PRO 269 HA 0.66 0.14 0.31 -0.51 4.44 5.04 2o1pB1 PRO 269 HB2 0.32 0.01 0.12 -0.04 2.28 2.69 2o1pB1 PRO 269 HB3 0.25 0.08 0.16 -0.04 2.02 2.47 2o1pB1 PRO 269 HG2 0.21 -0.06 -0.07 -0.04 2.03 2.07 2o1pB1 PRO 269 HG3 0.17 0.04 0.07 -0.04 2.03 2.26 2o1pB1 PRO 269 HD2 0.16 0.03 0.17 -0.04 3.68 4.00 2o1pB1 PRO 269 HD3 0.18 0.05 0.29 -0.04 3.65 4.13 2o1pB1 GLN 270 H 0.24 0.55 0.17 -0.55 8.47 8.89 2o1pB1 GLN 270 HA 0.26 -0.00 0.47 -0.75 4.36 4.32 2o1pB1 GLN 270 HB2 -0.04 0.26 0.15 -0.04 2.15 2.48 2o1pB1 GLN 270 HB3 -0.04 -0.09 -0.09 -0.04 2.02 1.76 2o1pB1 GLN 270 HG2 -0.14 -0.06 -0.01 -0.04 2.40 2.14 2o1pB1 GLN 270 HG3 0.12 0.06 0.03 -0.04 2.39 2.56 2o1pB1 GLN 270 HE21 0.05 -0.06 -0.01 -0.04 6.97 6.91 2o1pB1 GLN 270 HE22 0.12 0.02 0.02 -0.04 7.69 7.80 2o1pB1 PRO 271 HA 0.31 0.25 0.37 -0.51 4.44 4.86 2o1pB1 PRO 271 HB2 -0.07 -0.04 -0.22 -0.04 2.28 1.90 2o1pB1 PRO 271 HB3 0.05 -0.02 0.01 -0.04 2.02 2.02 2o1pB1 PRO 271 HG2 0.28 -0.02 -0.00 -0.04 2.03 2.25 2o1pB1 PRO 271 HG3 0.60 -0.04 0.01 -0.04 2.03 2.57 2o1pB1 PRO 271 HD2 0.27 0.03 0.17 -0.04 3.68 4.11 2o1pB1 PRO 271 HD3 0.40 0.16 0.22 -0.04 3.65 4.39 2o1pB1 VAL 272 H 0.06 0.78 0.32 -0.55 8.24 8.86 2o1pB1 VAL 272 HA 0.01 0.14 0.78 -0.75 4.13 4.31 2o1pB1 VAL 272 HB -0.12 -0.14 0.20 -0.04 2.12 2.01 2o1pB1 VAL 272 HG13 -0.18 -0.01 -0.16 -0.04 0.97 0.59 2o1pB1 VAL 272 HG23 -0.62 0.04 -0.04 -0.04 0.95 0.28 2o1pB1 ILE 273 H 0.09 0.31 0.14 -0.55 8.25 8.24 2o1pB1 ILE 273 HA -0.01 0.16 0.87 -0.75 4.18 4.44 2o1pB1 ILE 273 HB 0.09 0.01 -0.07 -0.04 1.89 1.88 2o1pB1 ILE 273 HG12 0.01 -0.00 -0.70 -0.04 1.49 0.75 2o1pB1 ILE 273 HG13 0.14 0.22 -0.33 -0.04 1.21 1.20 2o1pB1 ILE 273 HG23 0.06 -0.03 -0.07 -0.04 0.93 0.85 2o1pB1 ILE 273 HD13 0.20 -0.01 -0.11 -0.04 0.88 0.92 2o1pB1 LEU 274 H 0.01 0.18 0.13 -0.55 8.37 8.14 2o1pB1 LEU 274 HA 0.03 0.19 0.68 -0.75 4.35 4.49 2o1pB1 LEU 274 HB2 -0.00 -0.03 0.04 -0.04 1.64 1.61 2o1pB1 LEU 274 HB3 -0.01 0.08 0.01 -0.04 1.64 1.68 2o1pB1 LEU 274 HG -0.01 -0.01 -0.10 -0.04 1.64 1.49 2o1pB1 LEU 274 HD13 -0.01 -0.01 -0.03 -0.04 0.93 0.84 2o1pB1 LEU 274 HD23 0.02 0.07 -0.17 -0.04 0.89 0.76 2o1pB1 LYS 275 H 0.03 0.16 0.07 -0.55 8.42 8.12 2o1pB1 LYS 275 HA 0.03 0.11 0.39 -0.75 4.32 4.10 2o1pB1 LYS 275 HB2 0.01 0.01 0.11 -0.04 1.87 1.96 2o1pB1 LYS 275 HB3 0.01 0.12 -0.13 -0.04 1.79 1.74 2o1pB1 LYS 275 HG2 0.01 -0.13 -0.11 -0.04 1.46 1.20 2o1pB1 LYS 275 HG3 0.03 0.12 -0.28 -0.04 1.46 1.29 2o1pB1 LYS 275 HD2 0.01 0.00 -0.04 -0.04 1.69 1.62 2o1pB1 LYS 275 HD3 0.00 -0.03 -0.08 -0.04 1.68 1.53 2o1pB1 LYS 275 HE2 0.02 0.06 -0.08 -0.04 2.99 2.96 2o1pB1 LYS 275 HE3 0.04 0.07 0.01 -0.04 2.99 3.07 2o1pB1 PRO 276 HA 0.07 0.00 0.33 -0.51 4.44 4.32 2o1pB1 PRO 276 HB2 0.04 -0.00 -0.04 -0.04 2.28 2.24 2o1pB1 PRO 276 HB3 0.04 0.04 0.05 -0.04 2.02 2.11 2o1pB1 PRO 276 HG2 0.03 0.03 0.05 -0.04 2.03 2.09 2o1pB1 PRO 276 HG3 0.04 0.08 0.05 -0.04 2.03 2.15 2o1pB1 PRO 276 HD2 0.03 0.09 0.15 -0.04 3.68 3.90 2o1pB1 PRO 276 HD3 0.03 0.15 0.13 -0.04 3.65 3.93 2o1pB1 ILE 277 H 0.10 0.08 0.16 -0.55 8.25 8.04 2o1pB1 ILE 277 HA 0.10 0.08 0.54 -0.75 4.18 4.15 2o1pB1 ILE 277 HB 0.15 -0.05 0.20 -0.04 1.89 2.14 2o1pB1 ILE 277 HG12 0.15 0.02 0.04 -0.04 1.49 1.66 2o1pB1 ILE 277 HG13 0.14 -0.01 0.08 -0.04 1.21 1.38 2o1pB1 ILE 277 HG23 0.18 0.03 -0.03 -0.04 0.93 1.06 2o1pB1 ILE 277 HD13 0.34 0.02 0.03 -0.04 0.88 1.22 2o1pB1 GLU 278 H 0.10 0.13 0.22 -0.55 8.60 8.50 2o1pB1 GLU 278 HA 0.04 0.09 0.49 -0.75 4.29 4.15 2o1pB1 GLU 278 HB2 0.04 -0.07 0.07 -0.04 2.09 2.08 2o1pB1 GLU 278 HB3 -0.05 0.04 0.21 -0.04 1.99 2.14 2o1pB1 GLU 278 HG2 0.00 -0.04 0.04 -0.04 2.34 2.30 2o1pB1 GLU 278 HG3 0.04 0.19 0.07 -0.04 2.34 2.60 2o1pB1 ASP 279 H -0.05 0.12 0.20 -0.55 8.40 8.13 2o1pB1 ASP 279 HA 0.08 0.18 0.74 -0.75 4.63 4.88 2o1pB1 ASP 279 HB2 0.02 0.01 0.03 -0.04 2.71 2.73 2o1pB1 ASP 279 HB3 -0.04 -0.04 0.03 -0.04 2.70 2.61 2o1pB1 GLY 280 H -0.13 0.34 0.13 -0.55 8.43 8.23 2o1pB1 GLY 280 HA2 -0.31 0.03 0.40 -0.51 4.01 3.61 2o1pB1 GLY 280 HA3 -0.89 0.00 0.34 -0.51 4.01 2.96 2o1pB1 PRO 281 HA 0.02 0.15 0.57 -0.51 4.44 4.67 2o1pB1 PRO 281 HB2 0.04 -0.24 0.24 -0.04 2.28 2.27 2o1pB1 PRO 281 HB3 0.01 0.04 0.12 -0.04 2.02 2.15 2o1pB1 PRO 281 HG2 0.06 0.02 0.01 -0.04 2.03 2.08 2o1pB1 PRO 281 HG3 -0.01 0.02 0.06 -0.04 2.03 2.06 2o1pB1 PRO 281 HD2 0.07 0.15 -0.02 -0.04 3.68 3.84 2o1pB1 PRO 281 HD3 -0.13 0.07 0.12 -0.04 3.65 3.67 2o1pB1 LEU 282 H 0.05 0.00 0.07 -0.55 8.37 7.95 2o1pB1 LEU 282 HA 0.04 -0.10 0.42 -0.75 4.35 3.96 2o1pB1 LEU 282 HB2 0.20 0.08 -0.62 -0.04 1.64 1.26 2o1pB1 LEU 282 HB3 0.04 -0.07 -0.12 -0.04 1.64 1.45 2o1pB1 LEU 282 HG 0.02 -0.03 0.00 -0.04 1.64 1.59 2o1pB1 LEU 282 HD13 0.07 0.04 -0.21 -0.04 0.93 0.79 2o1pB1 LEU 282 HD23 -0.01 0.03 -0.13 -0.04 0.89 0.75 2o1pB1 GLN 283 H 0.02 0.05 0.12 -0.55 8.47 8.11 2o1pB1 GLN 283 HA 0.03 0.12 0.41 -0.75 4.36 4.16 2o1pB1 VAL 284 H -0.00 -0.08 -0.39 -0.55 8.24 7.22 2o1pB1 VAL 284 HA -0.04 -0.08 0.28 -0.75 4.13 3.54 2o1pB1 VAL 284 HB -0.11 0.21 -0.15 -0.04 2.12 2.03 2o1pB1 VAL 284 HG13 -0.07 -0.02 0.01 -0.04 0.97 0.84 2o1pB1 VAL 284 HG23 -0.10 -0.01 -0.08 -0.04 0.95 0.73 2o1pB1 ARG 285 H -0.08 -0.00 0.18 -0.55 8.46 8.01 2o1pB1 ARG 285 HA 0.03 0.15 0.76 -0.75 4.34 4.52 2o1pB1 ARG 285 HB2 -0.48 0.08 0.12 -0.04 1.90 1.58 2o1pB1 ARG 285 HB3 -0.12 0.01 0.14 -0.04 1.80 1.78 2o1pB1 ARG 285 HG2 -0.18 -0.03 0.09 -0.04 1.67 1.51 2o1pB1 ARG 285 HG3 -0.25 -0.01 -0.02 -0.04 1.67 1.35 2o1pB1 ARG 285 HD2 -0.62 0.00 0.01 -0.04 3.22 2.57 2o1pB1 ARG 285 HD3 -0.34 -0.05 -0.01 -0.04 3.22 2.78 2o1pB1 VAL 286 H 0.10 0.11 0.11 -0.55 8.24 8.01 2o1pB1 VAL 286 HA 0.05 0.24 0.75 -0.75 4.13 4.42 2o1pB1 VAL 286 HB 0.18 -0.00 -0.03 -0.04 2.12 2.22 2o1pB1 VAL 286 HG13 0.17 -0.01 0.12 -0.04 0.97 1.21 2o1pB1 VAL 286 HG23 0.16 0.04 -0.09 -0.04 0.95 1.02 2o1pB1 TRP 287 H 0.31 0.45 0.14 -0.55 7.97 8.32 2o1pB1 TRP 287 HA 0.08 -0.02 0.59 -0.75 4.62 4.51 2o1pB1 TRP 287 HB2 0.05 -0.01 -0.00 -0.04 3.23 3.23 2o1pB1 TRP 287 HB3 0.07 0.04 -0.02 -0.04 3.23 3.28 2o1pB1 TRP 287 HD1 0.20 -0.06 -0.01 -0.04 7.22 7.30 2o1pB1 TRP 287 HE1 0.70 0.06 0.02 -0.04 10.20 10.94 2o1pB1 TRP 287 HE3 0.10 0.00 -0.23 -0.04 7.59 7.42 2o1pB1 TRP 287 HZ2 0.18 0.19 -0.01 -0.04 7.44 7.76 2o1pB1 TRP 287 HZ3 0.10 0.02 -0.08 -0.04 7.13 7.14 2o1pB1 TRP 287 HH2 0.14 0.12 -0.02 -0.04 7.19 7.39 2o1pB1 ASN 288 H -0.39 0.09 0.06 -0.55 8.53 7.74 2o1pB1 ASN 288 HA -0.39 0.18 0.54 -0.75 4.76 4.34 2o1pB1 ASN 288 HB2 0.08 0.23 -0.29 -0.04 2.88 2.86 2o1pB1 ASN 288 HB3 0.05 -0.05 0.04 -0.04 2.79 2.78 2o1pB1 ASN 288 HD21 -0.08 0.04 -0.05 -0.04 7.03 6.90 2o1pB1 ASN 288 HD22 -0.10 0.02 -0.03 -0.04 7.74 7.59 2o1pB1 PRO 289 HA -0.32 0.27 0.36 -0.51 4.44 4.25 2o1pB1 PRO 289 HB2 -0.17 0.08 -0.07 -0.04 2.28 2.08 2o1pB1 PRO 289 HB3 -0.34 0.07 -0.21 -0.04 2.02 1.50 2o1pB1 PRO 289 HG2 -0.20 0.05 -0.02 -0.04 2.03 1.82 2o1pB1 PRO 289 HG3 -0.37 0.17 -0.01 -0.04 2.03 1.78 2o1pB1 PRO 289 HD2 -0.58 0.14 0.13 -0.04 3.68 3.33 2o1pB1 PRO 289 HD3 -2.58 0.12 0.03 -0.04 3.65 1.18 2o1pB1 LYS 290 H -0.20 0.06 -0.42 -0.55 8.42 7.31 2o1pB1 LYS 290 HA -0.10 0.13 0.43 -0.75 4.32 4.02 2o1pB1 LYS 290 HB2 -0.10 -0.04 0.01 -0.04 1.87 1.70 2o1pB1 LYS 290 HB3 -0.09 0.02 -0.03 -0.04 1.79 1.65 2o1pB1 LYS 290 HG2 -0.05 0.03 0.01 -0.04 1.46 1.40 2o1pB1 LYS 290 HG3 -0.06 -0.01 -0.04 -0.04 1.46 1.31 2o1pB1 LYS 290 HD2 -0.01 0.03 -0.02 -0.04 1.69 1.66 2o1pB1 LYS 290 HD3 -0.03 -0.01 -0.02 -0.04 1.68 1.58 2o1pB1 LYS 290 HE2 -0.01 0.00 -0.01 -0.04 2.99 2.93 2o1pB1 LYS 290 HE3 -0.03 -0.02 -0.01 -0.04 2.99 2.89 2o1pB1 ILE 291 H -0.26 0.23 -0.19 -0.55 8.25 7.47 2o1pB1 ILE 291 HA -0.26 0.16 0.77 -0.75 4.18 4.10 2o1pB1 ILE 291 HB -0.46 -0.00 0.07 -0.04 1.89 1.46 2o1pB1 ILE 291 HG12 -0.24 -0.01 -0.02 -0.04 1.49 1.18 2o1pB1 ILE 291 HG13 -0.22 0.03 0.01 -0.04 1.21 0.99 2o1pB1 ILE 291 HG23 -1.22 -0.01 -0.11 -0.04 0.93 -0.45 2o1pB1 ILE 291 HD13 -0.13 -0.00 -0.24 -0.04 0.88 0.47 2o1pB1 TYR 292 H -0.26 0.56 0.20 -0.55 8.29 8.24 2o1pB1 TYR 292 HA -0.09 0.17 0.98 -0.75 4.56 4.86 2o1pB1 TYR 292 HB2 -0.20 -0.06 0.08 -0.04 3.06 2.84 2o1pB1 TYR 292 HB3 -0.10 -0.09 0.05 -0.04 2.98 2.79 2o1pB1 TYR 292 HD2 -0.10 -0.03 0.05 -0.04 7.15 7.02 2o1pB1 TYR 292 HE2 -0.03 0.02 0.00 -0.04 6.85 6.81 2o1pB1 ALA 293 H 0.02 0.19 0.17 -0.55 8.40 8.23 2o1pB1 ALA 293 HA -0.06 0.23 0.34 -0.75 4.34 4.09 2o1pB1 ALA 293 HB3 -0.03 0.03 0.07 -0.04 1.41 1.44 2o1pB1 GLN 294 H -0.01 0.05 -0.11 -0.55 8.47 7.86 2o1pB1 GLN 294 HA -0.06 0.14 0.45 -0.75 4.36 4.14 2o1pB1 GLN 294 HB2 -0.04 0.05 -0.01 -0.04 2.15 2.11 2o1pB1 GLN 294 HB3 -0.03 0.04 0.08 -0.04 2.02 2.06 2o1pB1 GLN 294 HG2 -0.03 -0.08 -0.04 -0.04 2.40 2.20 2o1pB1 GLN 294 HG3 -0.05 0.06 -0.03 -0.04 2.39 2.32 2o1pB1 GLN 294 HE21 0.01 0.02 0.02 -0.04 6.97 6.99 2o1pB1 GLN 294 HE22 -0.04 0.03 0.00 -0.04 7.69 7.65 2o1pB1 ASP 295 H -0.14 0.20 -0.46 -0.55 8.40 7.46 2o1pB1 ASP 295 HA -0.46 0.06 0.35 -0.75 4.63 3.82 2o1pB1 ASP 295 HB2 -0.45 0.19 -0.09 -0.04 2.71 2.32 2o1pB1 ASP 295 HB3 -0.97 0.03 0.01 -0.04 2.70 1.73 2o1pB1 ARG 296 H -0.14 0.29 -0.52 -0.55 8.46 7.53 2o1pB1 ARG 296 HA -0.02 0.13 0.52 -0.75 4.34 4.21 2o1pB1 ARG 296 HB2 -0.06 0.21 0.14 -0.04 1.90 2.16 2o1pB1 ARG 296 HB3 -0.02 -0.01 0.06 -0.04 1.80 1.79 2o1pB1 ARG 296 HG2 -0.04 -0.01 0.02 -0.04 1.67 1.60 2o1pB1 ARG 296 HG3 -0.11 -0.02 0.05 -0.04 1.67 1.54 2o1pB1 ARG 296 HD2 -0.03 -0.04 0.01 -0.04 3.22 3.12 2o1pB1 ARG 296 HD3 -0.04 -0.02 -0.02 -0.04 3.22 3.10 2o1pB1 SER 297 H -0.15 0.26 -0.33 -0.55 8.46 7.69 2o1pB1 SER 297 HA 0.02 0.15 0.53 -0.75 4.49 4.43 2o1pB1 SER 297 HB2 0.03 -0.02 0.07 -0.04 3.95 3.99 2o1pB1 SER 297 HB3 -0.01 -0.05 0.04 -0.04 3.93 3.88 2o1pB1 HIS 298 H -0.09 0.20 -0.39 -0.55 8.41 7.58 2o1pB1 HIS 298 HA 0.09 0.07 0.50 -0.75 4.63 4.52 2o1pB1 HIS 298 HB2 0.33 0.12 0.04 -0.04 3.26 3.72 2o1pB1 HIS 298 HB3 0.12 -0.11 -0.12 -0.04 3.20 3.04 2o1pB1 HIS 298 HD2 0.14 0.13 -0.09 -0.04 6.97 7.10 2o1pB1 HIS 298 HE1 0.42 -0.09 -0.03 -0.04 7.75 8.01 2o1pB1 ARG 299 H 0.07 0.14 0.12 -0.55 8.46 8.24 2o1pB1 ARG 299 HA 0.11 0.17 0.37 -0.75 4.34 4.24 2o1pB1 ARG 299 HB2 -0.08 -0.04 -0.05 -0.04 1.90 1.69 2o1pB1 ARG 299 HB3 -0.02 -0.01 -0.04 -0.04 1.80 1.69 2o1pB1 ARG 299 HG2 0.03 -0.01 -0.06 -0.04 1.67 1.59 2o1pB1 ARG 299 HG3 0.04 0.15 0.06 -0.04 1.67 1.88 2o1pB1 ARG 299 HD2 -0.04 0.23 -0.24 -0.04 3.22 3.14 2o1pB1 ARG 299 HD3 -0.04 -0.02 -0.27 -0.04 3.22 2.85 2o1pB1 MET 300 H -0.11 0.02 -0.21 -0.55 8.47 7.62 2o1pB1 MET 300 HA -0.34 0.26 0.62 -0.75 4.52 4.30 2o1pB1 MET 300 HB2 -0.57 -0.09 0.11 -0.04 2.15 1.56 2o1pB1 MET 300 HB3 -1.53 0.03 0.03 -0.04 2.03 0.52 2o1pB1 MET 300 HG2 -1.28 0.15 -0.10 -0.04 2.63 1.36 2o1pB1 MET 300 HG3 -0.46 -0.11 -0.38 -0.04 2.56 1.56 2o1pB1 MET 300 HE3 -0.81 0.01 -0.04 -0.04 2.10 1.22 2o1pB1 PRO 301 HA -0.15 -0.14 0.33 -0.51 4.44 3.97 2o1pB1 PRO 301 HB2 -0.12 -0.04 -0.01 -0.04 2.28 2.07 2o1pB1 PRO 301 HB3 -0.18 -0.07 -0.04 -0.04 2.02 1.68 2o1pB1 PRO 301 HG2 0.45 0.24 -0.03 -0.04 2.03 2.65 2o1pB1 PRO 301 HG3 0.36 0.01 -0.21 -0.04 2.03 2.15 2o1pB1 PRO 301 HD2 0.49 0.24 -0.25 -0.04 3.68 4.12 2o1pB1 PRO 301 HD3 0.27 0.20 -0.64 -0.04 3.65 3.44 2o1pB1 VAL 302 H -0.24 0.02 0.19 -0.55 8.24 7.65 2o1pB1 VAL 302 HA -0.14 0.26 0.83 -0.75 4.13 4.32 2o1pB1 VAL 302 HB -0.21 -0.20 0.16 -0.04 2.12 1.83 2o1pB1 VAL 302 HG13 -0.12 0.04 -0.10 -0.04 0.97 0.75 2o1pB1 VAL 302 HG23 -0.20 0.08 -0.14 -0.04 0.95 0.65 2o1pB1 ILE 303 H -0.19 0.81 0.18 -0.55 8.25 8.50 2o1pB1 ILE 303 HA -0.30 0.08 0.70 -0.75 4.18 3.90 2o1pB1 ILE 303 HB -0.17 0.03 0.07 -0.04 1.89 1.77 2o1pB1 ILE 303 HG12 -0.51 0.10 -0.22 -0.04 1.49 0.82 2o1pB1 ILE 303 HG13 -0.81 0.04 -0.17 -0.04 1.21 0.22 2o1pB1 ILE 303 HG23 -0.10 0.04 -0.24 -0.04 0.93 0.60 2o1pB1 ILE 303 HD13 -1.53 -0.04 -0.32 -0.04 0.88 -1.05 2o1pB1 THR 304 H -0.12 0.40 0.34 -0.55 8.28 8.35 2o1pB1 THR 304 HA -0.05 0.06 0.45 -0.75 4.39 4.10 2o1pB1 THR 304 HB -0.03 -0.02 0.03 -0.04 4.32 4.26 2o1pB1 THR 304 HG23 -0.06 -0.00 0.03 -0.04 1.22 1.15 2o1pB1 PRO 305 HA 0.02 0.14 0.46 -0.51 4.44 4.55 2o1pB1 PRO 305 HB2 0.00 0.04 -0.10 -0.04 2.28 2.18 2o1pB1 PRO 305 HB3 -0.00 -0.00 0.02 -0.04 2.02 2.00 2o1pB1 PRO 305 HG2 -0.01 0.00 0.08 -0.04 2.03 2.06 2o1pB1 PRO 305 HG3 -0.01 0.07 -0.00 -0.04 2.03 2.05 2o1pB1 PRO 305 HD2 -0.02 0.01 0.21 -0.04 3.68 3.84 2o1pB1 PRO 305 HD3 -0.02 0.18 0.21 -0.04 3.65 3.98 2o1pB1 ALA 306 H -0.00 0.03 -0.14 -0.55 8.40 7.74 2o1pB1 ALA 306 HA 0.04 0.04 0.41 -0.75 4.34 4.08 2o1pB1 ALA 306 HB3 -0.01 0.04 -0.18 -0.04 1.41 1.22 2o1pB1 TYR 307 H 0.16 0.09 0.12 -0.55 8.29 8.11 2o1pB1 TYR 307 HA 0.01 -0.11 0.51 -0.75 4.56 4.22 2o1pB1 TYR 307 HB2 0.01 0.03 0.05 -0.04 3.06 3.10 2o1pB1 TYR 307 HB3 -0.01 -0.03 0.07 -0.04 2.98 2.97 2o1pB1 TYR 307 HD2 0.01 0.02 -0.20 -0.04 7.15 6.94 2o1pB1 TYR 307 HE2 0.01 -0.01 -0.18 -0.04 6.85 6.63 2o1pB1 PRO 308 HA -0.36 -0.03 0.36 -0.51 4.44 3.90 2o1pB1 PRO 308 HB2 -0.24 0.12 -0.13 -0.04 2.28 1.99 2o1pB1 PRO 308 HB3 -0.80 0.05 -0.09 -0.04 2.02 1.14 2o1pB1 PRO 308 HG2 -0.22 -0.01 0.01 -0.04 2.03 1.77 2o1pB1 PRO 308 HG3 -0.44 -0.02 -0.06 -0.04 2.03 1.48 2o1pB1 PRO 308 HD2 -0.18 0.04 0.15 -0.04 3.68 3.64 2o1pB1 PRO 308 HD3 -0.28 0.10 0.14 -0.04 3.65 3.58 2o1pB1 SER 309 H 0.06 0.06 0.05 -0.55 8.46 8.08 2o1pB1 SER 309 HA 0.01 0.17 0.36 -0.75 4.49 4.28 2o1pB1 SER 309 HB2 0.14 -0.11 0.16 -0.04 3.95 4.09 2o1pB1 SER 309 HB3 0.09 -0.05 -0.02 -0.04 3.93 3.91 2o1pB1 MET 310 H -0.03 0.15 0.28 -0.55 8.47 8.32 2o1pB1 MET 310 HA 0.09 0.11 0.79 -0.75 4.52 4.77 2o1pB1 MET 310 HB2 0.01 -0.04 0.08 -0.04 2.15 2.15 2o1pB1 MET 310 HB3 -0.01 0.15 -0.06 -0.04 2.03 2.07 2o1pB1 MET 310 HG2 -0.03 0.04 -0.04 -0.04 2.63 2.56 2o1pB1 MET 310 HG3 -0.04 -0.07 0.03 -0.04 2.56 2.44 2o1pB1 MET 310 HE3 -0.00 -0.01 -0.07 -0.04 2.10 1.98 2o1pB1 CYS 311 H 0.00 0.16 0.10 -0.55 8.50 8.22 2o1pB1 CYS 311 HA -0.39 0.18 0.78 -0.75 4.58 4.40 2o1pB1 CYS 311 HB2 -0.63 0.08 0.02 -0.04 2.97 2.40 2o1pB1 CYS 311 HB3 -0.28 0.01 0.13 -0.04 2.97 2.78 2o1pB1 ALA 312 H -0.21 0.79 0.38 -0.55 8.40 8.81 2o1pB1 ALA 312 HA -0.11 0.10 0.49 -0.75 4.34 4.07 2o1pB1 ALA 312 HB3 -0.14 -0.00 0.11 -0.04 1.41 1.33 2o1pB1 THR 313 H -0.26 0.08 -0.23 -0.55 8.28 7.32 2o1pB1 THR 313 HA -0.33 0.22 0.91 -0.75 4.39 4.44 2o1pB1 THR 313 HB -0.29 0.05 0.16 -0.04 4.32 4.20 2o1pB1 THR 313 HG23 -0.32 -0.01 -0.10 -0.04 1.22 0.76 2o1pB1 HIS 314 H -0.44 0.24 -0.28 -0.55 8.41 7.39 2o1pB1 HIS 314 HA -0.21 0.08 0.34 -0.75 4.63 4.08 2o1pB1 HIS 314 HB2 -0.08 0.06 0.03 -0.04 3.26 3.23 2o1pB1 HIS 314 HB3 -0.63 -0.04 0.04 -0.04 3.20 2.52 2o1pB1 HIS 314 HD2 -0.05 0.05 -0.30 -0.04 6.97 6.63 2o1pB1 HIS 314 HE1 -0.08 -0.02 -0.02 -0.04 7.75 7.58 2o1pB1 ASN 315 H -0.48 0.03 -0.39 -0.55 8.53 7.14 2o1pB1 ASN 315 HA -0.05 0.09 0.39 -0.75 4.76 4.43 2o1pB1 ASN 315 HB2 -0.26 -0.02 -0.01 -0.04 2.88 2.54 2o1pB1 ASN 315 HB3 -0.16 -0.02 -0.05 -0.04 2.79 2.52 2o1pB1 ASN 315 HD21 -0.13 -0.10 -0.02 -0.04 7.03 6.74 2o1pB1 ASN 315 HD22 -0.16 0.60 0.11 -0.04 7.74 8.24 2o1pB1 ILE 316 H -0.18 0.22 -0.36 -0.55 8.25 7.37 2o1pB1 ILE 316 HA -0.23 0.16 0.38 -0.75 4.18 3.73 2o1pB1 ILE 316 HB -0.18 -0.04 0.08 -0.04 1.89 1.71 2o1pB1 ILE 316 HG12 -0.26 0.19 -0.00 -0.04 1.49 1.38 2o1pB1 ILE 316 HG13 -0.25 -0.14 -0.14 -0.04 1.21 0.64 2o1pB1 ILE 316 HG23 -0.20 -0.02 -0.17 -0.04 0.93 0.49 2o1pB1 ILE 316 HD13 -0.31 -0.01 -0.01 -0.04 0.88 0.51 2o1pB1 THR 317 H -0.20 0.05 0.26 -0.55 8.28 7.84 2o1pB1 THR 317 HA -0.06 0.29 0.86 -0.75 4.39 4.73 2o1pB1 THR 317 HB -0.06 -0.02 0.19 -0.04 4.32 4.39 2o1pB1 THR 317 HG23 -0.09 0.07 0.06 -0.04 1.22 1.21 2o1pB1 GLU 318 H -0.04 0.21 0.16 -0.55 8.60 8.38 2o1pB1 GLU 318 HA -0.04 0.14 0.46 -0.75 4.29 4.10 2o1pB1 GLU 318 HB2 -0.02 0.02 0.18 -0.04 2.09 2.22 2o1pB1 GLU 318 HB3 -0.03 0.01 0.06 -0.04 1.99 1.99 2o1pB1 GLU 318 HG2 -0.01 -0.01 0.06 -0.04 2.34 2.34 2o1pB1 GLU 318 HG3 -0.00 0.03 0.05 -0.04 2.34 2.38 2o1pB1 SER 319 H -0.07 0.09 -0.10 -0.55 8.46 7.83 2o1pB1 SER 319 HA -0.05 0.13 0.34 -0.75 4.49 4.16 2o1pB1 SER 319 HB2 -0.06 0.09 0.14 -0.04 3.95 4.07 2o1pB1 SER 319 HB3 -0.04 0.01 -0.06 -0.04 3.93 3.79 2o1pB1 THR 320 H -0.17 0.04 -0.09 -0.55 8.28 7.51 2o1pB1 THR 320 HA -0.20 0.07 0.43 -0.75 4.39 3.94 2o1pB1 THR 320 HB -1.00 0.06 0.04 -0.04 4.32 3.38 2o1pB1 THR 320 HG23 -0.50 0.01 0.12 -0.04 1.22 0.82 2o1pB1 LYS 321 H -0.14 0.53 -0.29 -0.55 8.42 7.96 2o1pB1 LYS 321 HA -0.15 0.03 0.58 -0.75 4.32 4.02 2o1pB1 LYS 321 HB2 -0.13 0.03 0.04 -0.04 1.87 1.78 2o1pB1 LYS 321 HB3 -0.06 0.18 0.14 -0.04 1.79 2.00 2o1pB1 LYS 321 HG2 -0.06 -0.04 -0.15 -0.04 1.46 1.16 2o1pB1 LYS 321 HG3 -0.23 -0.03 -0.02 -0.04 1.46 1.14 2o1pB1 LYS 321 HD2 -0.07 -0.01 -0.10 -0.04 1.69 1.48 2o1pB1 LYS 321 HD3 -0.01 -0.01 -0.04 -0.04 1.68 1.58 2o1pB1 LYS 321 HE2 0.08 -0.04 -0.06 -0.04 2.99 2.93 2o1pB1 LYS 321 HE3 -0.03 0.03 -0.05 -0.04 2.99 2.90 2o1pB1 LYS 322 H -0.04 0.42 -0.07 -0.55 8.42 8.17 2o1pB1 LYS 322 HA 0.02 0.03 0.41 -0.75 4.32 4.03 2o1pB1 LYS 322 HB2 -0.01 0.09 0.19 -0.04 1.87 2.10 2o1pB1 LYS 322 HB3 0.02 -0.07 0.07 -0.04 1.79 1.78 2o1pB1 LYS 322 HG2 0.02 -0.02 0.06 -0.04 1.46 1.48 2o1pB1 LYS 322 HG3 -0.00 0.13 0.08 -0.04 1.46 1.62 2o1pB1 LYS 322 HD2 0.03 -0.05 0.04 -0.04 1.69 1.66 2o1pB1 LYS 322 HD3 0.03 -0.02 0.03 -0.04 1.68 1.68 2o1pB1 LYS 322 HE2 -0.01 -0.09 0.05 -0.04 2.99 2.91 2o1pB1 LYS 322 HE3 0.01 0.03 0.08 -0.04 2.99 3.08 2o1pB1 VAL 323 H -0.04 0.42 -0.20 -0.55 8.24 7.87 2o1pB1 VAL 323 HA -0.01 0.00 0.44 -0.75 4.13 3.81 2o1pB1 VAL 323 HB 0.06 0.06 0.17 -0.04 2.12 2.37 2o1pB1 VAL 323 HG13 -0.02 0.00 -0.07 -0.04 0.97 0.84 2o1pB1 VAL 323 HG23 -0.49 0.00 -0.00 -0.04 0.95 0.42 2o1pB1 ILE 324 H 0.02 0.62 -0.02 -0.55 8.25 8.32 2o1pB1 ILE 324 HA -0.07 -0.00 0.44 -0.75 4.18 3.80 2o1pB1 ILE 324 HB -0.11 0.12 0.20 -0.04 1.89 2.06 2o1pB1 ILE 324 HG12 0.25 -0.04 0.08 -0.04 1.49 1.73 2o1pB1 ILE 324 HG13 0.28 -0.00 0.13 -0.04 1.21 1.57 2o1pB1 ILE 324 HG23 -0.30 -0.02 -0.06 -0.04 0.93 0.51 2o1pB1 ILE 324 HD13 -0.06 -0.02 -0.02 -0.04 0.88 0.74 2o1pB1 LEU 325 H -0.01 0.59 -0.16 -0.55 8.37 8.24 2o1pB1 LEU 325 HA 0.23 0.07 0.51 -0.75 4.35 4.41 2o1pB1 LEU 325 HB2 0.09 0.06 0.17 -0.04 1.64 1.93 2o1pB1 LEU 325 HB3 0.19 -0.04 0.04 -0.04 1.64 1.78 2o1pB1 LEU 325 HG 0.07 0.11 0.05 -0.04 1.64 1.84 2o1pB1 LEU 325 HD13 0.20 -0.01 -0.00 -0.04 0.93 1.08 2o1pB1 LEU 325 HD23 0.49 0.00 0.04 -0.04 0.89 1.38 2o1pB1 GLN 326 H 0.06 0.63 -0.07 -0.55 8.47 8.55 2o1pB1 GLN 326 HA 0.10 -0.03 0.42 -0.75 4.36 4.10 2o1pB1 GLN 326 HB2 0.05 0.17 0.23 -0.04 2.15 2.56 2o1pB1 GLN 326 HB3 0.07 -0.08 -0.01 -0.04 2.02 1.95 2o1pB1 GLN 326 HG2 0.07 -0.08 0.06 -0.04 2.40 2.40 2o1pB1 GLN 326 HG3 0.06 0.13 0.11 -0.04 2.39 2.65 2o1pB1 GLN 326 HE21 0.09 -0.05 -0.07 -0.04 6.97 6.90 2o1pB1 GLN 326 HE22 0.06 0.01 -0.06 -0.04 7.69 7.66 2o1pB1 GLU 327 H 0.05 0.63 -0.14 -0.55 8.60 8.59 2o1pB1 GLU 327 HA 0.16 -0.03 0.43 -0.75 4.29 4.09 2o1pB1 GLU 327 HB2 0.05 0.14 0.14 -0.04 2.09 2.38 2o1pB1 GLU 327 HB3 0.35 -0.07 0.00 -0.04 1.99 2.24 2o1pB1 GLU 327 HG2 -0.03 0.20 0.06 -0.04 2.34 2.53 2o1pB1 GLU 327 HG3 -0.23 -0.01 -0.02 -0.04 2.34 2.04 2o1pB1 PHE 328 H 0.17 0.51 -0.28 -0.55 8.34 8.20 2o1pB1 PHE 328 HA 0.40 -0.05 0.36 -0.75 4.62 4.57 2o1pB1 PHE 328 HB2 0.28 0.21 0.24 -0.04 3.15 3.84 2o1pB1 PHE 328 HB3 0.29 0.01 0.04 -0.04 3.06 3.36 2o1pB1 PHE 328 HD2 0.53 -0.01 -0.12 -0.04 7.28 7.65 2o1pB1 PHE 328 HE2 0.65 -0.03 -0.09 -0.04 7.38 7.87 2o1pB1 PHE 328 HZ 0.43 -0.07 -0.06 -0.04 7.32 7.58 2o1pB1 VAL 329 H 0.26 0.53 -0.15 -0.55 8.24 8.34 2o1pB1 VAL 329 HA 0.16 -0.01 0.34 -0.75 4.13 3.87 2o1pB1 VAL 329 HB 0.13 0.12 0.22 -0.04 2.12 2.54 2o1pB1 VAL 329 HG13 0.08 -0.03 -0.08 -0.04 0.97 0.89 2o1pB1 VAL 329 HG23 0.17 0.04 0.03 -0.04 0.95 1.15 2o1pB1 ARG 330 H 0.11 0.74 0.04 -0.55 8.46 8.79 2o1pB1 ARG 330 HA 0.02 -0.07 0.42 -0.75 4.34 3.96 2o1pB1 ARG 330 HB2 0.07 0.03 0.12 -0.04 1.90 2.08 2o1pB1 ARG 330 HB3 0.10 0.14 0.18 -0.04 1.80 2.18 2o1pB1 ARG 330 HG2 0.02 -0.05 -0.14 -0.04 1.67 1.46 2o1pB1 ARG 330 HG3 0.03 -0.08 0.03 -0.04 1.67 1.61 2o1pB1 ARG 330 HD2 0.05 -0.04 -0.01 -0.04 3.22 3.17 2o1pB1 ARG 330 HD3 0.09 0.06 0.00 -0.04 3.22 3.33 2o1pB1 GLY 331 H -0.07 0.79 -0.15 -0.55 8.43 8.45 2o1pB1 GLY 331 HA2 -0.65 -0.09 0.36 -0.51 4.01 3.12 2o1pB1 GLY 331 HA3 -1.43 0.12 0.29 -0.51 4.01 2.48 2o1pB1 VAL 332 H -0.01 0.56 -0.19 -0.55 8.24 8.05 2o1pB1 VAL 332 HA 0.08 -0.03 0.52 -0.75 4.13 3.95 2o1pB1 VAL 332 HB 0.06 0.22 0.20 -0.04 2.12 2.56 2o1pB1 VAL 332 HG13 0.04 -0.04 -0.12 -0.04 0.97 0.81 2o1pB1 VAL 332 HG23 0.15 0.06 -0.15 -0.04 0.95 0.96 2o1pB1 GLN 333 H -0.01 0.59 0.01 -0.55 8.47 8.51 2o1pB1 GLN 333 HA -0.01 -0.02 0.34 -0.75 4.36 3.91 2o1pB1 GLN 333 HB2 -0.01 0.16 0.19 -0.04 2.15 2.45 2o1pB1 GLN 333 HB3 -0.01 -0.08 0.01 -0.04 2.02 1.91 2o1pB1 GLN 333 HG2 0.01 -0.06 0.01 -0.04 2.40 2.32 2o1pB1 GLN 333 HG3 0.02 0.08 0.04 -0.04 2.39 2.49 2o1pB1 GLN 333 HE21 0.03 -0.02 -0.05 -0.04 6.97 6.90 2o1pB1 GLN 333 HE22 0.04 0.00 -0.04 -0.04 7.69 7.65 2o1pB1 ILE 334 H -0.07 0.70 -0.04 -0.55 8.25 8.29 2o1pB1 ILE 334 HA -0.06 0.00 0.48 -0.75 4.18 3.84 2o1pB1 ILE 334 HB -0.11 0.10 0.01 -0.04 1.89 1.85 2o1pB1 ILE 334 HG12 -0.04 -0.08 -0.08 -0.04 1.49 1.26 2o1pB1 ILE 334 HG13 -0.04 0.14 -0.03 -0.04 1.21 1.25 2o1pB1 ILE 334 HG23 -0.11 -0.04 -0.23 -0.04 0.93 0.51 2o1pB1 ILE 334 HD13 -0.01 -0.01 -0.19 -0.04 0.88 0.63 2o1pB1 THR 335 H -0.06 0.69 -0.10 -0.55 8.28 8.26 2o1pB1 THR 335 HA -0.09 -0.06 0.46 -0.75 4.39 3.95 2o1pB1 THR 335 HB 0.08 -0.12 0.01 -0.04 4.32 4.25 2o1pB1 THR 335 HG23 0.23 -0.00 -0.05 -0.04 1.22 1.36 2o1pB1 ASN 336 H -0.02 0.77 -0.10 -0.55 8.53 8.63 2o1pB1 ASN 336 HA -0.04 -0.03 0.35 -0.75 4.76 4.28 2o1pB1 ASN 336 HB2 -0.02 0.13 0.14 -0.04 2.88 3.10 2o1pB1 ASN 336 HB3 -0.01 -0.06 0.01 -0.04 2.79 2.68 2o1pB1 ASN 336 HD21 -0.01 -0.04 -0.03 -0.04 7.03 6.91 2o1pB1 ASN 336 HD22 -0.01 -0.02 -0.07 -0.04 7.74 7.60 2o1pB1 ASP 337 H -0.03 0.48 -0.28 -0.55 8.40 8.02 2o1pB1 ASP 337 HA -0.02 0.02 0.35 -0.75 4.63 4.22 2o1pB1 ASP 337 HB2 -0.06 0.22 0.16 -0.04 2.71 2.99 2o1pB1 ASP 337 HB3 -0.06 -0.16 -0.13 -0.04 2.70 2.31 2o1pB1 ILE 338 H -0.13 0.70 -0.04 -0.55 8.25 8.23 2o1pB1 ILE 338 HA -0.26 0.17 0.54 -0.75 4.18 3.88 2o1pB1 ILE 338 HB -0.36 0.14 0.14 -0.04 1.89 1.77 2o1pB1 ILE 338 HG12 -0.54 -0.09 -0.54 -0.04 1.49 0.27 2o1pB1 ILE 338 HG13 -0.31 0.10 -0.14 -0.04 1.21 0.82 2o1pB1 ILE 338 HG23 -1.11 -0.03 -0.13 -0.04 0.93 -0.38 2o1pB1 ILE 338 HD13 -0.81 -0.01 -0.28 -0.04 0.88 -0.26 2o1pB1 PHE 339 H 0.20 0.72 -0.20 -0.55 8.34 8.51 2o1pB1 PHE 339 HA -0.09 -0.05 0.44 -0.75 4.62 4.17 2o1pB1 PHE 339 HB2 -0.07 0.23 0.13 -0.04 3.15 3.41 2o1pB1 PHE 339 HB3 -0.04 -0.07 0.08 -0.04 3.06 2.99 2o1pB1 PHE 339 HD2 -0.07 0.15 0.03 -0.04 7.28 7.34 2o1pB1 PHE 339 HE2 0.06 -0.04 -0.05 -0.04 7.38 7.31 2o1pB1 PHE 339 HZ 0.10 -0.16 -0.48 -0.04 7.32 6.75 2o1pB1 SER 340 H 0.01 0.32 -0.49 -0.55 8.46 7.76 2o1pB1 SER 340 HA 0.01 0.14 0.85 -0.75 4.49 4.74 2o1pB1 SER 340 HB2 -0.00 -0.06 0.20 -0.04 3.95 4.05 2o1pB1 SER 340 HB3 0.02 -0.04 0.12 -0.04 3.93 3.99 2o1pB1 ASN 341 H -0.08 0.51 -0.10 -0.55 8.53 8.31 2o1pB1 ASN 341 HA -0.09 0.05 0.38 -0.75 4.76 4.34 2o1pB1 ASN 341 HB2 -0.03 0.19 0.02 -0.04 2.88 3.02 2o1pB1 ASN 341 HB3 -0.04 -0.07 0.17 -0.04 2.79 2.81 2o1pB1 ASN 341 HD21 -0.06 -0.07 -0.02 -0.04 7.03 6.84 2o1pB1 ASN 341 HD22 -0.08 0.05 0.07 -0.04 7.74 7.73 2o1pB1 LYS 342 H -0.06 0.46 -0.29 -0.55 8.42 7.98 2o1pB1 LYS 342 HA -0.04 0.14 0.63 -0.75 4.32 4.29 2o1pB1 LYS 342 HB2 -0.04 -0.07 -0.05 -0.04 1.87 1.67 2o1pB1 LYS 342 HB3 -0.03 -0.04 0.03 -0.04 1.79 1.71 2o1pB1 LYS 342 HG2 -0.02 0.03 -0.08 -0.04 1.46 1.35 2o1pB1 LYS 342 HG3 -0.03 0.08 -0.09 -0.04 1.46 1.38 2o1pB1 LYS 342 HD2 -0.01 -0.00 -0.00 -0.04 1.69 1.63 2o1pB1 LYS 342 HD3 -0.02 -0.03 -0.02 -0.04 1.68 1.57 2o1pB1 LYS 342 HE2 -0.02 -0.02 -0.01 -0.04 2.99 2.91 2o1pB1 LYS 342 HE3 -0.01 0.01 -0.00 -0.04 2.99 2.95 2o1pB1 LYS 343 H -0.11 0.17 -0.32 -0.55 8.42 7.61 2o1pB1 LYS 343 HA -0.07 0.20 0.83 -0.75 4.32 4.52 2o1pB1 LYS 343 HB2 -0.13 -0.02 -0.09 -0.04 1.87 1.58 2o1pB1 LYS 343 HB3 -0.12 0.01 0.04 -0.04 1.79 1.68 2o1pB1 LYS 343 HG2 -0.06 -0.03 -0.37 -0.04 1.46 0.96 2o1pB1 LYS 343 HG3 -0.06 0.04 -0.06 -0.04 1.46 1.34 2o1pB1 LYS 343 HD2 -0.05 -0.03 0.01 -0.04 1.69 1.57 2o1pB1 LYS 343 HD3 -0.04 0.06 0.05 -0.04 1.68 1.71 2o1pB1 LYS 343 HE2 -0.03 -0.00 -0.02 -0.04 2.99 2.90 2o1pB1 LYS 343 HE3 -0.03 0.01 -0.07 -0.04 2.99 2.86 2o1pB1 SER 344 H -0.08 0.12 0.13 -0.55 8.46 8.09 2o1pB1 SER 344 HA -0.24 0.31 0.97 -0.75 4.49 4.78 2o1pB1 SER 344 HB2 0.01 -0.01 0.16 -0.04 3.95 4.07 2o1pB1 SER 344 HB3 -0.03 0.13 -0.02 -0.04 3.93 3.96 2o1pB1 TRP 345 H -0.00 0.21 0.12 -0.55 7.97 7.75 2o1pB1 TRP 345 HA -0.12 0.11 0.38 -0.75 4.62 4.23 2o1pB1 TRP 345 HB2 0.09 -0.01 0.06 -0.04 3.23 3.33 2o1pB1 TRP 345 HB3 0.16 0.08 0.01 -0.04 3.23 3.44 2o1pB1 TRP 345 HD1 0.01 -0.01 -0.17 -0.04 7.22 7.01 2o1pB1 TRP 345 HE1 -0.06 0.26 0.11 -0.04 10.20 10.47 2o1pB1 TRP 345 HE3 -0.26 0.01 0.02 -0.04 7.59 7.31 2o1pB1 TRP 345 HZ2 -0.08 -0.07 -0.11 -0.04 7.44 7.13 2o1pB1 TRP 345 HZ3 -0.03 0.05 -0.03 -0.04 7.13 7.08 2o1pB1 TRP 345 HH2 0.13 0.06 0.02 -0.04 7.19 7.35 2o1pB1 ALA 346 H 0.19 0.02 -0.29 -0.55 8.40 7.77 2o1pB1 ALA 346 HA 0.29 0.15 0.35 -0.75 4.34 4.38 2o1pB1 ALA 346 HB3 0.12 0.01 0.00 -0.04 1.41 1.50 2o1pB1 ASN 347 H 0.03 0.05 -0.25 -0.55 8.53 7.81 2o1pB1 ASN 347 HA 0.03 0.06 0.30 -0.75 4.76 4.40 2o1pB1 ASN 347 HB2 -0.06 0.16 0.10 -0.04 2.88 3.04 2o1pB1 ASN 347 HB3 -0.02 0.05 -0.02 -0.04 2.79 2.75 2o1pB1 ASN 347 HD21 -0.00 0.01 0.01 -0.04 7.03 7.00 2o1pB1 ASN 347 HD22 0.01 0.07 0.01 -0.04 7.74 7.78 2o1pB1 LEU 348 H -0.05 0.18 -0.33 -0.55 8.37 7.62 2o1pB1 LEU 348 HA -0.03 0.03 0.31 -0.75 4.35 3.91 2o1pB1 LEU 348 HB2 -0.13 -0.09 0.01 -0.04 1.64 1.39 2o1pB1 LEU 348 HB3 -0.40 0.16 0.11 -0.04 1.64 1.46 2o1pB1 LEU 348 HG -0.18 0.06 -0.20 -0.04 1.64 1.29 2o1pB1 LEU 348 HD13 -0.24 -0.00 -0.01 -0.04 0.93 0.63 2o1pB1 LEU 348 HD23 -0.12 -0.02 -0.06 -0.04 0.89 0.65 2o1pB1 PHE 349 H 0.04 0.31 -0.30 -0.55 8.34 7.84 2o1pB1 PHE 349 HA 0.21 0.08 0.31 -0.75 4.62 4.47 2o1pB1 PHE 349 HB2 0.11 0.02 0.05 -0.04 3.15 3.29 2o1pB1 PHE 349 HB3 0.07 -0.04 0.09 -0.04 3.06 3.14 2o1pB1 PHE 349 HD2 0.19 -0.01 -0.14 -0.04 7.28 7.28 2o1pB1 PHE 349 HE2 0.04 0.05 -0.00 -0.04 7.38 7.42 2o1pB1 PHE 349 HZ -0.12 -0.07 -0.00 -0.04 7.32 7.08 2o1pB1 GLU 350 H 0.13 0.33 -0.79 -0.55 8.60 7.73 2o1pB1 GLU 350 HA 0.10 -0.09 0.39 -0.75 4.29 3.93 2o1pB1 GLU 350 HB2 0.07 0.40 0.13 -0.04 2.09 2.64 2o1pB1 GLU 350 HB3 0.05 0.02 -0.09 -0.04 1.99 1.94 2o1pB1 GLU 350 HG2 0.04 -0.01 -0.01 -0.04 2.34 2.33 2o1pB1 GLU 350 HG3 0.05 -0.08 -0.03 -0.04 2.34 2.25 2o1pB1 LYS 351 H 0.06 -0.01 0.18 -0.55 8.42 8.10 2o1pB1 LYS 351 HA 0.03 0.08 0.48 -0.75 4.32 4.16 2o1pB1 LYS 351 HB2 0.05 -0.05 0.19 -0.04 1.87 2.02 2o1pB1 LYS 351 HB3 0.07 -0.06 0.10 -0.04 1.79 1.86 2o1pB1 LYS 351 HG2 0.11 0.22 0.01 -0.04 1.46 1.76 2o1pB1 LYS 351 HG3 0.06 0.01 0.17 -0.04 1.46 1.66 2o1pB1 LYS 351 HD2 0.10 -0.03 0.05 -0.04 1.69 1.78 2o1pB1 LYS 351 HD3 0.07 -0.05 0.06 -0.04 1.68 1.71 2o1pB1 LYS 351 HE2 0.11 -0.11 0.03 -0.04 2.99 2.98 2o1pB1 LYS 351 HE3 0.12 0.01 -0.00 -0.04 2.99 3.07 2o1pB1 ASN 352 H 0.03 0.57 0.33 -0.55 8.53 8.92 2o1pB1 ASN 352 HA 0.05 0.07 0.44 -0.75 4.76 4.56 2o1pB1 ASN 352 HB2 0.10 -0.09 0.12 -0.04 2.88 2.97 2o1pB1 ASN 352 HB3 0.01 0.16 0.25 -0.04 2.79 3.17 2o1pB1 ASN 352 HD21 0.25 -0.12 0.06 -0.04 7.03 7.18 2o1pB1 ASN 352 HD22 0.04 0.67 0.21 -0.04 7.74 8.62 2o1pB1 ASP 353 H 0.09 0.17 0.08 -0.55 8.40 8.19 2o1pB1 ASP 353 HA 0.27 0.24 0.91 -0.75 4.63 5.30 2o1pB1 ASP 353 HB2 0.31 -0.02 0.11 -0.04 2.71 3.06 2o1pB1 ASP 353 HB3 0.09 0.13 -0.07 -0.04 2.70 2.81 2o1pB1 PHE 354 H 0.16 0.24 -0.23 -0.55 8.34 7.96 2o1pB1 PHE 354 HA -0.20 0.07 0.33 -0.75 4.62 4.07 2o1pB1 PHE 354 HB2 -0.13 0.07 0.09 -0.04 3.15 3.13 2o1pB1 PHE 354 HB3 -0.85 0.00 0.08 -0.04 3.06 2.26 2o1pB1 PHE 354 HD2 -1.83 0.03 -0.10 -0.04 7.28 5.34 2o1pB1 PHE 354 HE2 -0.60 0.03 -0.14 -0.04 7.38 6.62 2o1pB1 PHE 354 HZ -0.01 -0.09 -0.16 -0.04 7.32 7.03 2o1pB1 PHE 355 H -0.11 0.14 -0.19 -0.55 8.34 7.63 2o1pB1 PHE 355 HA -0.59 0.10 0.37 -0.75 4.62 3.75 2o1pB1 PHE 355 HB2 -0.67 0.03 -0.01 -0.04 3.15 2.46 2o1pB1 PHE 355 HB3 -0.94 0.05 0.07 -0.04 3.06 2.20 2o1pB1 PHE 355 HD2 -0.82 0.03 -0.01 -0.04 7.28 6.43 2o1pB1 PHE 355 HE2 -1.20 -0.01 -0.03 -0.04 7.38 6.10 2o1pB1 PHE 355 HZ -0.45 -0.01 -0.02 -0.04 7.32 6.80 2o1pB1 PHE 356 H 0.02 0.35 -0.62 -0.55 8.34 7.54 2o1pB1 PHE 356 HA 0.05 0.27 0.97 -0.75 4.62 5.15 2o1pB1 PHE 356 HB2 -0.02 0.06 0.04 -0.04 3.15 3.19 2o1pB1 PHE 356 HB3 -0.01 -0.04 0.02 -0.04 3.06 2.99 2o1pB1 PHE 356 HD2 0.03 -0.03 -0.04 -0.04 7.28 7.19 2o1pB1 PHE 356 HE2 -0.02 0.04 -0.11 -0.04 7.38 7.25 2o1pB1 PHE 356 HZ 0.02 -0.06 -0.16 -0.04 7.32 7.08 2o1pB1 ARG 357 H -0.16 0.30 0.08 -0.55 8.46 8.13 2o1pB1 ARG 357 HA -0.10 0.13 0.44 -0.75 4.34 4.05 2o1pB1 ARG 357 HB2 -0.51 -0.03 0.08 -0.04 1.90 1.40 2o1pB1 ARG 357 HB3 -0.17 -0.02 0.06 -0.04 1.80 1.62 2o1pB1 ARG 357 HG2 -0.16 -0.07 -0.06 -0.04 1.67 1.34 2o1pB1 ARG 357 HG3 -0.32 0.16 0.19 -0.04 1.67 1.65 2o1pB1 ARG 357 HD2 -0.31 -0.07 -0.05 -0.04 3.22 2.75 2o1pB1 ARG 357 HD3 -1.63 0.01 -0.08 -0.04 3.22 1.48 2o1pB1 TYR 358 H -0.09 0.21 -0.23 -0.55 8.29 7.62 2o1pB1 TYR 358 HA -0.19 0.18 1.06 -0.75 4.56 4.86 2o1pB1 TYR 358 HB2 -1.19 0.03 0.03 -0.04 3.06 1.89 2o1pB1 TYR 358 HB3 -0.63 0.08 0.16 -0.04 2.98 2.55 2o1pB1 TYR 358 HD2 -0.53 0.04 0.01 -0.04 7.15 6.62 2o1pB1 TYR 358 HE2 -0.13 0.00 -0.08 -0.04 6.85 6.61 2o1pB1 LYS 359 H -0.03 0.19 0.25 -0.55 8.42 8.28 2o1pB1 LYS 359 HA -0.31 0.10 0.66 -0.75 4.32 4.02 2o1pB1 LYS 359 HB2 -0.71 0.01 0.12 -0.04 1.87 1.25 2o1pB1 LYS 359 HB3 -0.77 -0.04 0.15 -0.04 1.79 1.08 2o1pB1 LYS 359 HG2 -0.01 0.02 0.17 -0.04 1.46 1.60 2o1pB1 LYS 359 HG3 0.09 -0.00 0.12 -0.04 1.46 1.63 2o1pB1 LYS 359 HD2 -0.06 -0.03 0.06 -0.04 1.69 1.62 2o1pB1 LYS 359 HD3 -0.10 0.02 0.04 -0.04 1.68 1.59 2o1pB1 LYS 359 HE2 0.01 -0.00 0.02 -0.04 2.99 2.98 2o1pB1 LYS 359 HE3 0.02 0.06 0.03 -0.04 2.99 3.05 2o1pB1 PHE 360 H -0.17 0.27 0.10 -0.55 8.34 7.99 2o1pB1 PHE 360 HA -0.22 0.24 1.05 -0.75 4.62 4.94 2o1pB1 PHE 360 HB2 0.21 -0.00 0.03 -0.04 3.15 3.35 2o1pB1 PHE 360 HB3 -0.32 0.03 -0.06 -0.04 3.06 2.67 2o1pB1 PHE 360 HD2 -0.15 0.03 -0.08 -0.04 7.28 7.03 2o1pB1 PHE 360 HE2 -0.04 0.00 -0.02 -0.04 7.38 7.29 2o1pB1 PHE 360 HZ -0.03 0.01 -0.01 -0.04 7.32 7.25 2o1pB1 TYR 361 H 0.05 0.86 0.39 -0.55 8.29 9.04 2o1pB1 TYR 361 HA 0.04 0.19 1.05 -0.75 4.56 5.09 2o1pB1 TYR 361 HB2 0.06 0.01 -0.03 -0.04 3.06 3.07 2o1pB1 TYR 361 HB3 0.23 0.01 -0.07 -0.04 2.98 3.12 2o1pB1 TYR 361 HD2 -0.09 -0.02 -0.28 -0.04 7.15 6.72 2o1pB1 TYR 361 HE2 -0.76 0.11 -0.16 -0.04 6.85 6.00 2o1pB1 LEU 362 H 0.18 0.73 0.33 -0.55 8.37 9.07 2o1pB1 LEU 362 HA 0.19 0.18 0.93 -0.75 4.35 4.89 2o1pB1 LEU 362 HB2 0.15 -0.04 0.02 -0.04 1.64 1.73 2o1pB1 LEU 362 HB3 0.07 -0.02 0.18 -0.04 1.64 1.84 2o1pB1 LEU 362 HG -0.02 0.03 -0.29 -0.04 1.64 1.32 2o1pB1 LEU 362 HD13 0.06 0.01 -0.18 -0.04 0.93 0.77 2o1pB1 LEU 362 HD23 -0.06 -0.01 -0.10 -0.04 0.89 0.68 2o1pB1 GLU 363 H 0.07 0.95 0.34 -0.55 8.60 9.41 2o1pB1 GLU 363 HA -0.36 0.18 0.77 -0.75 4.29 4.12 2o1pB1 GLU 363 HB2 0.04 0.07 0.06 -0.04 2.09 2.22 2o1pB1 GLU 363 HB3 -0.00 -0.14 0.18 -0.04 1.99 1.98 2o1pB1 GLU 363 HG2 -0.26 -0.03 -0.11 -0.04 2.34 1.90 2o1pB1 GLU 363 HG3 -0.29 0.00 -0.06 -0.04 2.34 1.95 2o1pB1 ILE 364 H -0.23 0.71 0.37 -0.55 8.25 8.55 2o1pB1 ILE 364 HA -0.03 0.24 1.14 -0.75 4.18 4.77 2o1pB1 ILE 364 HB -0.08 -0.04 0.19 -0.04 1.89 1.92 2o1pB1 ILE 364 HG12 -0.23 -0.02 -0.12 -0.04 1.49 1.08 2o1pB1 ILE 364 HG13 -0.10 -0.07 -0.54 -0.04 1.21 0.47 2o1pB1 ILE 364 HG23 -0.01 -0.00 -0.18 -0.04 0.93 0.70 2o1pB1 ILE 364 HD13 -0.12 0.03 -0.16 -0.04 0.88 0.59 2o1pB1 THR 365 H 0.00 0.76 0.32 -0.55 8.28 8.81 2o1pB1 THR 365 HA -0.12 0.30 1.11 -0.75 4.39 4.92 2o1pB1 THR 365 HB -0.12 -0.04 0.10 -0.04 4.32 4.22 2o1pB1 THR 365 HG23 -0.64 -0.00 -0.24 -0.04 1.22 0.30 2o1pB1 ALA 366 H -0.15 0.76 0.37 -0.55 8.40 8.84 2o1pB1 ALA 366 HA 0.02 0.19 1.04 -0.75 4.34 4.83 2o1pB1 ALA 366 HB3 -0.52 -0.01 0.09 -0.04 1.41 0.92 2o1pB1 TYR 367 H 0.62 0.46 0.16 -0.55 8.29 8.97 2o1pB1 TYR 367 HA 0.37 0.35 0.91 -0.75 4.56 5.44 2o1pB1 TYR 367 HB2 0.39 -0.12 -0.00 -0.04 3.06 3.29 2o1pB1 TYR 367 HB3 0.45 0.03 -0.08 -0.04 2.98 3.34 2o1pB1 TYR 367 HD2 0.17 -0.01 -0.22 -0.04 7.15 7.05 2o1pB1 TYR 367 HE2 -0.02 -0.00 -0.17 -0.04 6.85 6.62 2o1pB1 THR 368 H 0.48 0.61 0.31 -0.55 8.28 9.13 2o1pB1 THR 368 HA 0.32 0.39 0.72 -0.75 4.39 5.07 2o1pB1 THR 368 HB 0.56 -0.08 0.04 -0.04 4.32 4.80 2o1pB1 THR 368 HG23 0.14 -0.05 -0.32 -0.04 1.22 0.95 2o1pB1 ARG 369 H -0.23 0.69 0.18 -0.55 8.46 8.56 2o1pB1 ARG 369 HA -0.22 0.28 1.03 -0.75 4.34 4.67 2o1pB1 ARG 369 HB2 -1.83 -0.04 0.09 -0.04 1.90 0.07 2o1pB1 ARG 369 HB3 -0.58 0.06 0.39 -0.04 1.80 1.63 2o1pB1 ARG 369 HG2 -0.40 0.06 -0.01 -0.04 1.67 1.28 2o1pB1 ARG 369 HG3 -0.84 -0.08 0.01 -0.04 1.67 0.72 2o1pB1 ARG 369 HD2 -0.24 -0.02 0.05 -0.04 3.22 2.97 2o1pB1 ARG 369 HD3 -0.17 0.03 -0.12 -0.04 3.22 2.91 2o1pB1 GLY 370 H 0.08 0.37 -0.09 -0.55 8.43 8.24 2o1pB1 GLY 370 HA2 -0.05 0.09 0.41 -0.51 4.01 3.95 2o1pB1 GLY 370 HA3 -0.07 -0.07 0.38 -0.51 4.01 3.74 2o1pB1 SER 371 H 0.03 0.10 0.13 -0.55 8.46 8.17 2o1pB1 SER 371 HA 0.10 0.27 0.70 -0.75 4.49 4.81 2o1pB1 SER 371 HB2 0.04 0.08 0.14 -0.04 3.95 4.16 2o1pB1 SER 371 HB3 0.03 0.10 0.11 -0.04 3.93 4.13 2o1pB1 ASP 372 H 0.03 0.27 0.19 -0.55 8.40 8.34 2o1pB1 ASP 372 HA -0.76 0.12 0.43 -0.75 4.63 3.66 2o1pB1 ASP 372 HB2 0.05 0.11 0.13 -0.04 2.71 2.97 2o1pB1 ASP 372 HB3 -0.00 -0.02 0.13 -0.04 2.70 2.77 2o1pB1 GLU 373 H -0.01 0.11 -0.19 -0.55 8.60 7.96 2o1pB1 GLU 373 HA 0.01 0.13 0.42 -0.75 4.29 4.09 2o1pB1 GLU 373 HB2 0.01 0.03 0.08 -0.04 2.09 2.17 2o1pB1 GLU 373 HB3 0.03 -0.01 -0.01 -0.04 1.99 1.96 2o1pB1 GLU 373 HG2 0.02 0.05 0.00 -0.04 2.34 2.37 2o1pB1 GLU 373 HG3 0.03 0.00 -0.08 -0.04 2.34 2.26 2o1pB1 GLN 374 H 0.05 0.21 -0.40 -0.55 8.47 7.77 2o1pB1 GLN 374 HA 0.19 0.09 0.42 -0.75 4.36 4.30 2o1pB1 GLN 374 HB2 0.15 0.12 0.08 -0.04 2.15 2.45 2o1pB1 GLN 374 HB3 0.42 0.03 0.01 -0.04 2.02 2.44 2o1pB1 GLN 374 HG2 0.15 0.05 -0.02 -0.04 2.40 2.55 2o1pB1 GLN 374 HG3 0.08 -0.10 -0.03 -0.04 2.39 2.31 2o1pB1 GLN 374 HE21 -0.00 0.08 0.04 -0.04 6.97 7.05 2o1pB1 GLN 374 HE22 0.03 0.00 0.03 -0.04 7.69 7.71 2o1pB1 HIS 375 H 0.06 0.34 -0.22 -0.55 8.41 8.04 2o1pB1 HIS 375 HA 0.27 0.08 0.50 -0.75 4.63 4.72 2o1pB1 HIS 375 HB2 -0.19 0.03 -0.01 -0.04 3.26 3.04 2o1pB1 HIS 375 HB3 -0.32 0.09 0.03 -0.04 3.20 2.95 2o1pB1 HIS 375 HD2 0.01 0.02 -0.20 -0.04 6.97 6.76 2o1pB1 HIS 375 HE1 0.14 0.48 -0.20 -0.04 7.75 8.12 2o1pB1 LEU 376 H 0.01 0.45 -0.14 -0.55 8.37 8.14 2o1pB1 LEU 376 HA -0.05 0.05 0.35 -0.75 4.35 3.95 2o1pB1 LEU 376 HB2 0.00 0.09 0.15 -0.04 1.64 1.84 2o1pB1 LEU 376 HB3 0.00 0.02 -0.04 -0.04 1.64 1.58 2o1pB1 LEU 376 HG -0.00 -0.01 0.01 -0.04 1.64 1.60 2o1pB1 LEU 376 HD13 0.02 0.01 -0.03 -0.04 0.93 0.88 2o1pB1 LEU 376 HD23 0.01 -0.00 -0.03 -0.04 0.89 0.83 2o1pB1 LYS 377 H 0.06 0.28 -0.37 -0.55 8.42 7.84 2o1pB1 LYS 377 HA 0.00 0.11 0.56 -0.75 4.32 4.23 2o1pB1 LYS 377 HB2 0.11 0.08 0.12 -0.04 1.87 2.14 2o1pB1 LYS 377 HB3 0.16 -0.01 -0.01 -0.04 1.79 1.89 2o1pB1 LYS 377 HG2 0.06 -0.01 0.02 -0.04 1.46 1.49 2o1pB1 LYS 377 HG3 0.03 -0.01 -0.07 -0.04 1.46 1.38 2o1pB1 LYS 377 HD2 0.04 -0.01 -0.02 -0.04 1.69 1.66 2o1pB1 LYS 377 HD3 0.06 0.11 0.02 -0.04 1.68 1.82 2o1pB1 LYS 377 HE2 0.04 0.00 -0.00 -0.04 2.99 2.99 2o1pB1 LYS 377 HE3 0.03 -0.01 -0.01 -0.04 2.99 2.96 2o1pB1 TRP 378 H 0.17 0.42 -0.10 -0.55 7.97 7.91 2o1pB1 TRP 378 HA -0.67 0.04 0.52 -0.75 4.62 3.75 2o1pB1 TRP 378 HB2 -0.49 -0.03 0.11 -0.04 3.23 2.77 2o1pB1 TRP 378 HB3 -0.10 0.07 0.15 -0.04 3.23 3.31 2o1pB1 TRP 378 HD1 0.26 0.02 -0.23 -0.04 7.22 7.23 2o1pB1 TRP 378 HE1 0.22 0.35 0.27 -0.04 10.20 11.00 2o1pB1 TRP 378 HE3 -1.62 -0.05 0.08 -0.04 7.59 5.96 2o1pB1 TRP 378 HZ2 0.05 0.00 -0.34 -0.04 7.44 7.12 2o1pB1 TRP 378 HZ3 -0.58 0.10 -0.02 -0.04 7.13 6.59 2o1pB1 TRP 378 HH2 -0.12 -0.07 -0.29 -0.04 7.19 6.67 2o1pB1 SER 379 H -0.32 0.75 0.00 -0.55 8.46 8.35 2o1pB1 SER 379 HA -0.58 0.02 0.52 -0.75 4.49 3.70 2o1pB1 SER 379 HB2 -0.26 -0.05 0.05 -0.04 3.95 3.65 2o1pB1 SER 379 HB3 -0.76 0.01 0.03 -0.04 3.93 3.17 2o1pB1 GLY 380 H -0.20 0.21 -0.67 -0.55 8.43 7.23 2o1pB1 GLY 380 HA2 -0.15 0.01 0.40 -0.51 4.01 3.77 2o1pB1 GLY 380 HA3 -0.13 0.11 0.30 -0.51 4.01 3.78 2o1pB1 LEU 381 H -0.27 0.52 -0.04 -0.55 8.37 8.04 2o1pB1 LEU 381 HA -0.27 0.02 0.46 -0.75 4.35 3.81 2o1pB1 LEU 381 HB2 -0.32 0.00 0.14 -0.04 1.64 1.41 2o1pB1 LEU 381 HB3 -0.51 0.07 0.20 -0.04 1.64 1.37 2o1pB1 LEU 381 HG -0.53 0.01 -0.34 -0.04 1.64 0.74 2o1pB1 LEU 381 HD13 -0.60 -0.01 0.00 -0.04 0.93 0.28 2o1pB1 LEU 381 HD23 -0.68 0.00 0.02 -0.04 0.89 0.19 2o1pB1 VAL 382 H -0.66 0.53 -0.08 -0.55 8.24 7.48 2o1pB1 VAL 382 HA -0.42 0.01 0.32 -0.75 4.13 3.28 2o1pB1 VAL 382 HB -0.59 0.05 0.12 -0.04 2.12 1.65 2o1pB1 VAL 382 HG13 -0.16 -0.01 -0.18 -0.04 0.97 0.58 2o1pB1 VAL 382 HG23 -1.43 0.03 0.04 -0.04 0.95 -0.45 2o1pB1 GLU 383 H -0.25 0.56 -0.30 -0.55 8.60 8.06 2o1pB1 GLU 383 HA -0.03 -0.03 0.34 -0.75 4.29 3.81 2o1pB1 GLU 383 HB2 -0.11 0.17 0.15 -0.04 2.09 2.26 2o1pB1 GLU 383 HB3 -0.16 0.11 0.11 -0.04 1.99 2.02 2o1pB1 GLU 383 HG2 -0.27 -0.05 -0.03 -0.04 2.34 1.95 2o1pB1 GLU 383 HG3 0.13 -0.04 -0.01 -0.04 2.34 2.38 2o1pB1 SER 384 H -0.19 0.47 -0.35 -0.55 8.46 7.84 2o1pB1 SER 384 HA -0.21 0.05 0.43 -0.75 4.49 4.01 2o1pB1 SER 384 HB2 -0.14 -0.10 0.15 -0.04 3.95 3.82 2o1pB1 SER 384 HB3 -0.17 0.06 0.12 -0.04 3.93 3.90 2o1pB1 LYS 385 H -0.08 0.48 -0.26 -0.55 8.42 8.01 2o1pB1 LYS 385 HA 0.00 0.14 0.93 -0.75 4.32 4.63 2o1pB1 LYS 385 HB2 -0.12 0.15 0.08 -0.04 1.87 1.94 2o1pB1 LYS 385 HB3 0.06 -0.10 0.08 -0.04 1.79 1.78 2o1pB1 LYS 385 HG2 -0.05 -0.04 0.01 -0.04 1.46 1.34 2o1pB1 LYS 385 HG3 -0.16 0.05 -0.11 -0.04 1.46 1.21 2o1pB1 LYS 385 HD2 -0.38 0.01 -0.10 -0.04 1.69 1.17 2o1pB1 LYS 385 HD3 -0.23 -0.04 -0.06 -0.04 1.68 1.31 2o1pB1 LYS 385 HE2 -0.18 -0.03 -0.05 -0.04 2.99 2.69 2o1pB1 LYS 385 HE3 -0.05 0.12 -0.08 -0.04 2.99 2.94 2o1pB1 VAL 386 H 0.04 0.43 -0.19 -0.55 8.24 7.96 2o1pB1 VAL 386 HA 0.03 -0.00 0.30 -0.75 4.13 3.70 2o1pB1 VAL 386 HB 0.10 0.27 0.14 -0.04 2.12 2.59 2o1pB1 VAL 386 HG13 0.21 -0.01 -0.16 -0.04 0.97 0.96 2o1pB1 VAL 386 HG23 0.07 0.04 -0.02 -0.04 0.95 1.01 2o1pB1 ARG 387 H -0.00 0.25 -0.28 -0.55 8.46 7.88 2o1pB1 ARG 387 HA 0.02 0.09 0.53 -0.75 4.34 4.23 2o1pB1 ARG 387 HB2 -0.06 0.19 0.13 -0.04 1.90 2.11 2o1pB1 ARG 387 HB3 -0.03 0.01 -0.02 -0.04 1.80 1.72 2o1pB1 ARG 387 HG2 -0.04 -0.07 -0.05 -0.04 1.67 1.47 2o1pB1 ARG 387 HG3 -0.05 0.04 -0.12 -0.04 1.67 1.50 2o1pB1 ARG 387 HD2 -0.10 0.15 -0.07 -0.04 3.22 3.17 2o1pB1 ARG 387 HD3 -0.10 0.10 -0.15 -0.04 3.22 3.03 2o1pB1 LEU 388 H 0.04 0.33 -0.25 -0.55 8.37 7.95 2o1pB1 LEU 388 HA 0.02 0.07 0.46 -0.75 4.35 4.15 2o1pB1 LEU 388 HB2 0.09 0.13 0.12 -0.04 1.64 1.95 2o1pB1 LEU 388 HB3 0.05 -0.03 0.07 -0.04 1.64 1.69 2o1pB1 LEU 388 HG 0.01 -0.00 0.01 -0.04 1.64 1.62 2o1pB1 LEU 388 HD13 0.00 -0.05 0.10 -0.04 0.93 0.94 2o1pB1 LEU 388 HD23 0.02 -0.00 0.03 -0.04 0.89 0.90 2o1pB1 LEU 389 H 0.08 0.39 -0.16 -0.55 8.37 8.14 2o1pB1 LEU 389 HA 0.02 0.01 0.59 -0.75 4.35 4.22 2o1pB1 LEU 389 HB2 -0.17 0.03 0.06 -0.04 1.64 1.51 2o1pB1 LEU 389 HB3 -0.19 0.21 0.08 -0.04 1.64 1.71 2o1pB1 LEU 389 HG -0.16 -0.03 -0.19 -0.04 1.64 1.22 2o1pB1 LEU 389 HD13 -0.07 -0.03 -0.05 -0.04 0.93 0.74 2o1pB1 LEU 389 HD23 -0.70 0.00 -0.08 -0.04 0.89 0.07 2o1pB1 VAL 390 H -0.01 0.46 -0.16 -0.55 8.24 7.98 2o1pB1 VAL 390 HA -0.03 -0.02 0.50 -0.75 4.13 3.82 2o1pB1 VAL 390 HB -0.01 0.22 0.27 -0.04 2.12 2.55 2o1pB1 VAL 390 HG13 -0.04 0.01 0.07 -0.04 0.97 0.97 2o1pB1 VAL 390 HG23 0.03 0.07 0.09 -0.04 0.95 1.10 2o1pB1 MET 391 H -0.01 0.50 -0.21 -0.55 8.47 8.19 2o1pB1 MET 391 HA -0.02 -0.05 0.38 -0.75 4.52 4.08 2o1pB1 MET 391 HB2 0.00 0.11 0.17 -0.04 2.15 2.40 2o1pB1 MET 391 HB3 -0.00 -0.03 0.05 -0.04 2.03 2.00 2o1pB1 MET 391 HG2 -0.03 -0.16 0.08 -0.04 2.63 2.48 2o1pB1 MET 391 HG3 -0.02 0.24 0.12 -0.04 2.56 2.86 2o1pB1 MET 391 HE3 0.00 -0.01 -0.07 -0.04 2.10 1.98 2o1pB1 LYS 392 H 0.00 0.45 -0.12 -0.55 8.42 8.19 2o1pB1 LYS 392 HA 0.00 0.04 0.49 -0.75 4.32 4.09 2o1pB1 LYS 392 HB2 0.02 0.04 0.20 -0.04 1.87 2.09 2o1pB1 LYS 392 HB3 0.02 -0.09 0.02 -0.04 1.79 1.70 2o1pB1 LYS 392 HG2 0.03 0.13 0.05 -0.04 1.46 1.63 2o1pB1 LYS 392 HG3 0.05 -0.04 0.01 -0.04 1.46 1.44 2o1pB1 LYS 392 HD2 0.02 -0.05 0.02 -0.04 1.69 1.63 2o1pB1 LYS 392 HD3 0.02 0.02 0.01 -0.04 1.68 1.69 2o1pB1 LYS 392 HE2 0.02 -0.02 -0.02 -0.04 2.99 2.94 2o1pB1 LYS 392 HE3 0.03 0.03 -0.02 -0.04 2.99 2.98 2o1pB1 LEU 393 H -0.03 0.70 -0.03 -0.55 8.37 8.46 2o1pB1 LEU 393 HA -0.04 -0.06 0.39 -0.75 4.35 3.88 2o1pB1 LEU 393 HB2 -0.05 0.22 0.21 -0.04 1.64 1.98 2o1pB1 LEU 393 HB3 -0.08 -0.04 -0.06 -0.04 1.64 1.43 2o1pB1 LEU 393 HG -0.08 -0.07 -0.03 -0.04 1.64 1.42 2o1pB1 LEU 393 HD13 -0.05 -0.01 -0.03 -0.04 0.93 0.80 2o1pB1 LEU 393 HD23 -0.07 0.01 -0.12 -0.04 0.89 0.67 2o1pB1 GLU 394 H -0.04 0.70 -0.07 -0.55 8.60 8.65 2o1pB1 GLU 394 HA -0.07 -0.05 0.02 -0.75 4.29 3.44 2o1pB1 GLU 394 HB2 -0.04 -0.04 0.06 -0.04 2.09 2.02 2o1pB1 GLU 394 HB3 -0.05 -0.03 0.14 -0.04 1.99 2.01 2o1pB1 GLU 394 HG2 -0.03 0.22 0.16 -0.04 2.34 2.66 2o1pB1 GLU 394 HG3 -0.03 0.04 -0.10 -0.04 2.34 2.21 2o1pB1 VAL 395 H -0.02 0.26 -0.58 -0.55 8.24 7.35 2o1pB1 VAL 395 HA -0.01 0.14 0.57 -0.75 4.13 4.07 2o1pB1 VAL 395 HB -0.01 0.06 0.07 -0.04 2.12 2.20 2o1pB1 VAL 395 HG13 -0.00 0.03 -0.06 -0.04 0.97 0.90 2o1pB1 VAL 395 HG23 -0.00 -0.03 0.07 -0.04 0.95 0.95 2o1pB1 LEU 396 H -0.02 0.50 -0.07 -0.55 8.37 8.23 2o1pB1 LEU 396 HA -0.00 -0.03 0.62 -0.75 4.35 4.19 2o1pB1 LEU 396 HB2 -0.03 0.09 0.13 -0.04 1.64 1.80 2o1pB1 LEU 396 HB3 -0.00 -0.19 0.02 -0.04 1.64 1.42 2o1pB1 LEU 396 HG -0.02 0.29 0.15 -0.04 1.64 2.02 2o1pB1 LEU 396 HD13 -0.01 -0.04 0.01 -0.04 0.93 0.85 2o1pB1 LEU 396 HD23 0.00 -0.03 0.03 -0.04 0.89 0.85 2o1pB1 ALA 397 H 0.00 0.09 0.18 -0.55 8.40 8.13 2o1pB1 ALA 397 HA 0.01 0.11 0.39 -0.75 4.34 4.10 2o1pB1 ALA 397 HB3 0.01 -0.03 0.12 -0.04 1.41 1.47 2o1pB1 GLY 398 H 0.02 -0.01 -0.21 -0.55 8.43 7.68 2o1pB1 GLY 398 HA2 0.04 0.07 0.18 -0.51 4.01 3.79 2o1pB1 GLY 398 HA3 0.08 -0.10 0.29 -0.51 4.01 3.76 2o1pB1 ILE 399 H -0.04 0.49 -0.22 -0.55 8.25 7.93 2o1pB1 ILE 399 HA -0.26 0.06 0.95 -0.75 4.18 4.17 2o1pB1 ILE 399 HB -0.11 0.25 0.01 -0.04 1.89 2.00 2o1pB1 ILE 399 HG12 -0.28 -0.03 -0.10 -0.04 1.49 1.04 2o1pB1 ILE 399 HG13 -0.44 -0.04 -0.14 -0.04 1.21 0.55 2o1pB1 ILE 399 HG23 -0.22 -0.01 -0.31 -0.04 0.93 0.35 2o1pB1 ILE 399 HD13 -0.05 -0.02 -0.09 -0.04 0.88 0.68 2o1pB1 LYS 400 H -0.15 0.73 0.44 -0.55 8.42 8.88 2o1pB1 LYS 400 HA -0.03 0.17 0.69 -0.75 4.32 4.41 2o1pB1 LYS 400 HB2 0.00 -0.08 -0.13 -0.04 1.87 1.62 2o1pB1 LYS 400 HB3 -0.02 -0.04 -0.10 -0.04 1.79 1.59 2o1pB1 LYS 400 HG2 0.01 0.02 0.01 -0.04 1.46 1.47 2o1pB1 LYS 400 HG3 0.02 -0.00 0.01 -0.04 1.46 1.44 2o1pB1 LYS 400 HD2 0.05 -0.01 -0.10 -0.04 1.69 1.59 2o1pB1 LYS 400 HD3 0.04 0.00 -0.04 -0.04 1.68 1.64 2o1pB1 LYS 400 HE2 0.06 -0.03 -0.18 -0.04 2.99 2.80 2o1pB1 LYS 400 HE3 0.06 -0.01 -0.05 -0.04 2.99 2.95 2o1pB1 ILE 401 H -0.16 0.24 0.19 -0.55 8.25 7.97 2o1pB1 ILE 401 HA -0.07 0.08 0.38 -0.75 4.18 3.82 2o1pB1 ILE 401 HB -0.01 0.11 -0.23 -0.04 1.89 1.72 2o1pB1 ILE 401 HG12 -0.01 -0.04 -0.18 -0.04 1.49 1.21 2o1pB1 ILE 401 HG13 -0.03 -0.03 0.11 -0.04 1.21 1.22 2o1pB1 ILE 401 HG23 -0.09 -0.02 -0.19 -0.04 0.93 0.58 2o1pB1 ILE 401 HD13 0.03 0.04 -0.02 -0.04 0.88 0.88 2o1pB1 ALA 402 H -0.07 0.18 0.04 -0.55 8.40 8.01 2o1pB1 ALA 402 HA -0.13 0.28 0.77 -0.75 4.34 4.52 2o1pB1 ALA 402 HB3 -0.07 -0.00 0.12 -0.04 1.41 1.42 2o1pB1 HIS 403 H -0.04 0.70 0.08 -0.55 8.41 8.62 2o1pB1 HIS 403 HA 0.09 0.15 0.62 -0.75 4.63 4.74 2o1pB1 HIS 403 HB2 0.09 -0.02 -0.03 -0.04 3.26 3.26 2o1pB1 HIS 403 HB3 0.05 -0.08 0.17 -0.04 3.20 3.30 2o1pB1 HIS 403 HD2 0.31 0.27 -0.32 -0.04 6.97 7.18 2o1pB1 HIS 403 HE1 0.26 0.00 -0.02 -0.04 7.75 7.95 2o1pB1 PRO 404 HA 0.13 0.10 0.71 -0.51 4.44 4.87 2o1pB1 PRO 404 HB2 0.08 0.10 0.03 -0.04 2.28 2.45 2o1pB1 PRO 404 HB3 0.12 -0.04 0.08 -0.04 2.02 2.14 2o1pB1 PRO 404 HG2 0.19 0.08 0.15 -0.04 2.03 2.41 2o1pB1 PRO 404 HG3 0.05 0.04 0.17 -0.04 2.03 2.25 2o1pB1 PRO 404 HD2 0.30 0.05 0.23 -0.04 3.68 4.22 2o1pB1 PRO 404 HD3 0.10 0.33 0.41 -0.04 3.65 4.45 2o1pB1 PHE 405 H -0.05 0.70 0.42 -0.55 8.34 8.86 2o1pB1 PHE 405 HA -0.73 0.14 0.74 -0.75 4.62 4.02 2o1pB1 PHE 405 HB2 -1.52 0.00 0.12 -0.04 3.15 1.71 2o1pB1 PHE 405 HB3 -0.31 -0.06 0.14 -0.04 3.06 2.79 2o1pB1 PHE 405 HD2 -0.68 0.11 0.07 -0.04 7.28 6.75 2o1pB1 PHE 405 HE2 -0.10 0.05 0.05 -0.04 7.38 7.33 2o1pB1 PHE 405 HZ -0.02 0.06 0.05 -0.04 7.32 7.37 2o1pB1 THR 406 H -1.67 0.12 0.19 -0.55 8.28 6.37 2o1pB1 THR 406 HA -0.89 0.20 0.52 -0.75 4.39 3.46 2o1pB1 THR 406 HB -0.21 -0.10 0.12 -0.04 4.32 4.08 2o1pB1 THR 406 HG23 -0.27 0.00 -0.08 -0.04 1.22 0.83 2o1pB1 LYS 407 H -0.53 0.12 -0.12 -0.55 8.42 7.35 2o1pB1 LYS 407 HA -0.11 0.18 0.87 -0.75 4.32 4.51 2o1pB1 LYS 407 HB2 -0.26 -0.03 -0.10 -0.04 1.87 1.44 2o1pB1 LYS 407 HB3 -0.18 -0.05 0.12 -0.04 1.79 1.63 2o1pB1 LYS 407 HG2 -0.17 0.09 0.02 -0.04 1.46 1.36 2o1pB1 LYS 407 HG3 -0.16 -0.05 0.01 -0.04 1.46 1.21 2o1pB1 LYS 407 HD2 -0.34 -0.07 -0.02 -0.04 1.69 1.22 2o1pB1 LYS 407 HD3 -0.72 0.14 -0.27 -0.04 1.68 0.79 2o1pB1 LYS 407 HE2 -0.22 -0.03 0.01 -0.04 2.99 2.71 2o1pB1 LYS 407 HE3 -0.25 -0.04 -0.00 -0.04 2.99 2.65 2o1pB1 PRO 408 HA 0.16 0.16 0.59 -0.51 4.44 4.83 2o1pB1 PRO 408 HB2 0.07 -0.01 -0.13 -0.04 2.28 2.16 2o1pB1 PRO 408 HB3 0.11 0.02 -0.00 -0.04 2.02 2.11 2o1pB1 PRO 408 HG2 0.03 0.00 0.06 -0.04 2.03 2.08 2o1pB1 PRO 408 HG3 0.09 0.03 0.03 -0.04 2.03 2.13 2o1pB1 PRO 408 HD2 0.02 0.09 0.29 -0.04 3.68 4.05 2o1pB1 PRO 408 HD3 0.19 0.16 0.03 -0.04 3.65 3.99 2o1pB1 PHE 409 H 0.33 0.68 0.33 -0.55 8.34 9.12 2o1pB1 PHE 409 HA 0.08 0.18 0.90 -0.75 4.62 5.03 2o1pB1 PHE 409 HB2 0.20 0.00 0.19 -0.04 3.15 3.50 2o1pB1 PHE 409 HB3 0.12 -0.04 -0.03 -0.04 3.06 3.07 2o1pB1 PHE 409 HD2 0.16 -0.00 -0.04 -0.04 7.28 7.36 2o1pB1 PHE 409 HE2 0.01 0.10 -0.00 -0.04 7.38 7.45 2o1pB1 PHE 409 HZ -0.27 0.04 0.01 -0.04 7.32 7.05 2o1pB1 GLU 410 H 0.09 0.22 0.11 -0.55 8.60 8.47 2o1pB1 GLU 410 HA 0.13 0.26 1.12 -0.75 4.29 5.04 2o1pB1 GLU 410 HB2 0.12 0.01 0.10 -0.04 2.09 2.28 2o1pB1 GLU 410 HB3 0.15 -0.00 0.11 -0.04 1.99 2.21 2o1pB1 GLU 410 HG2 0.05 -0.01 0.07 -0.04 2.34 2.41 2o1pB1 GLU 410 HG3 0.07 -0.01 -0.03 -0.04 2.34 2.33 2o1pB1 SER 411 H 0.05 0.53 0.36 -0.55 8.46 8.85 2o1pB1 SER 411 HA -0.05 0.12 0.61 -0.75 4.49 4.42 2o1pB1 SER 411 HB2 -0.14 0.00 0.04 -0.04 3.95 3.81 2o1pB1 SER 411 HB3 0.04 0.12 -0.10 -0.04 3.93 3.95 2o1pB1 SER 412 H -0.28 0.30 0.26 -0.55 8.46 8.20 2o1pB1 SER 412 HA -0.22 0.22 1.05 -0.75 4.49 4.79 2o1pB1 SER 412 HB2 -0.64 0.04 0.03 -0.04 3.95 3.35 2o1pB1 SER 412 HB3 -0.41 -0.04 -0.00 -0.04 3.93 3.44 2o1pB1 TYR 413 H -0.06 0.75 0.40 -0.55 8.29 8.83 2o1pB1 TYR 413 HA -0.06 0.19 1.08 -0.75 4.56 5.02 2o1pB1 TYR 413 HB2 -0.01 -0.05 0.01 -0.04 3.06 2.98 2o1pB1 TYR 413 HB3 -0.01 0.10 -0.14 -0.04 2.98 2.89 2o1pB1 TYR 413 HD2 0.01 0.05 -0.27 -0.04 7.15 6.90 2o1pB1 TYR 413 HE2 0.04 0.03 -0.13 -0.04 6.85 6.75 2o1pB1 CYS 414 H 0.09 0.45 0.20 -0.55 8.50 8.68 2o1pB1 CYS 414 HA -0.00 0.18 0.64 -0.75 4.58 4.64 2o1pB1 CYS 414 HB2 0.04 -0.09 0.22 -0.04 2.97 3.11 2o1pB1 CYS 414 HB3 0.02 -0.02 -0.01 -0.04 2.97 2.91 2o1pB1 CYS 415 H 0.00 0.87 0.24 -0.55 8.50 9.06 2o1pB1 CYS 415 HA 0.02 0.09 0.56 -0.75 4.58 4.50 2o1pB1 CYS 415 HB2 0.04 -0.15 -0.05 -0.04 2.97 2.78 2o1pB1 CYS 415 HB3 0.05 0.07 -0.28 -0.04 2.97 2.77 2o1pB1 PRO 416 HA -0.00 0.16 0.57 -0.51 4.44 4.66 2o1pB1 PRO 416 HB2 0.00 -0.03 0.00 -0.04 2.28 2.22 2o1pB1 PRO 416 HB3 0.00 0.05 0.10 -0.04 2.02 2.13 2o1pB1 PRO 416 HG2 0.01 0.04 0.05 -0.04 2.03 2.08 2o1pB1 PRO 416 HG3 0.01 0.08 0.00 -0.04 2.03 2.07 2o1pB1 PRO 416 HD2 0.01 -0.02 0.19 -0.04 3.68 3.82 2o1pB1 PRO 416 HD3 0.02 0.26 0.01 -0.04 3.65 3.89 2o1pB1 THR 417 H 0.02 0.10 -0.04 -0.55 8.28 7.80 2o1pB1 THR 417 HA 0.01 0.22 0.73 -0.75 4.39 4.60 2o1pB1 THR 417 HB 0.02 -0.52 0.04 -0.04 4.32 3.81 2o1pB1 THR 417 HG23 0.01 0.03 0.07 -0.04 1.22 1.29 2o1pB1 GLU 418 H 0.02 0.22 0.20 -0.55 8.60 8.49 2o1pB1 GLU 418 HA 0.10 0.20 0.63 -0.75 4.29 4.46 2o1pB1 GLU 418 HB2 0.03 0.12 0.14 -0.04 2.09 2.34 2o1pB1 GLU 418 HB3 0.03 -0.04 0.17 -0.04 1.99 2.11 2o1pB1 GLU 418 HG2 0.08 0.01 0.04 -0.04 2.34 2.43 2o1pB1 GLU 418 HG3 0.05 0.05 0.04 -0.04 2.34 2.44 2o1pB1 ASP 419 H 0.02 0.06 -0.06 -0.55 8.40 7.87 2o1pB1 ASP 419 HA 0.01 0.15 0.51 -0.75 4.63 4.54 2o1pB1 ASP 419 HB2 0.01 -0.03 0.03 -0.04 2.71 2.67 2o1pB1 ASP 419 HB3 -0.00 0.08 0.00 -0.04 2.70 2.74 2o1pB1 ASP 420 H 0.03 -0.00 -0.31 -0.55 8.40 7.57 2o1pB1 ASP 420 HA 0.00 0.08 0.40 -0.75 4.63 4.36 2o1pB1 ASP 420 HB2 0.03 0.12 0.11 -0.04 2.71 2.93 2o1pB1 ASP 420 HB3 0.03 0.10 -0.07 -0.04 2.70 2.71 2o1pB1 TYR 421 H 0.14 0.28 -0.36 -0.55 8.29 7.80 2o1pB1 TYR 421 HA -0.04 0.05 0.34 -0.75 4.56 4.15 2o1pB1 TYR 421 HB2 -0.02 0.08 0.03 -0.04 3.06 3.11 2o1pB1 TYR 421 HB3 -0.03 0.08 0.10 -0.04 2.98 3.09 2o1pB1 TYR 421 HD2 -0.02 -0.01 -0.04 -0.04 7.15 7.04 2o1pB1 TYR 421 HE2 0.05 0.04 -0.30 -0.04 6.85 6.59 2o1pB1 GLU 422 H -0.02 0.36 -0.25 -0.55 8.60 8.15 2o1pB1 GLU 422 HA -0.31 0.06 0.44 -0.75 4.29 3.72 2o1pB1 GLU 422 HB2 -0.05 0.08 0.15 -0.04 2.09 2.23 2o1pB1 GLU 422 HB3 -0.08 -0.03 -0.04 -0.04 1.99 1.80 2o1pB1 GLU 422 HG2 -0.11 -0.01 0.03 -0.04 2.34 2.21 2o1pB1 GLU 422 HG3 -0.05 0.08 0.04 -0.04 2.34 2.36 2o1pB1 MET 423 H -0.06 0.30 -0.46 -0.55 8.47 7.70 2o1pB1 MET 423 HA -0.06 0.01 0.36 -0.75 4.52 4.08 2o1pB1 MET 423 HB2 -0.03 0.02 0.08 -0.04 2.15 2.18 2o1pB1 MET 423 HB3 -0.04 0.21 0.11 -0.04 2.03 2.27 2o1pB1 MET 423 HG2 -0.03 -0.08 -0.00 -0.04 2.63 2.47 2o1pB1 MET 423 HG3 -0.03 -0.02 -0.02 -0.04 2.56 2.45 2o1pB1 MET 423 HE3 -0.07 -0.03 -0.39 -0.04 2.10 1.57 2o1pB1 ILE 424 H -0.10 0.41 -0.18 -0.55 8.25 7.84 2o1pB1 ILE 424 HA -0.06 -0.01 0.27 -0.75 4.18 3.63 2o1pB1 ILE 424 HB -0.06 0.09 -0.01 -0.04 1.89 1.87 2o1pB1 ILE 424 HG12 -0.18 -0.04 -0.05 -0.04 1.49 1.18 2o1pB1 ILE 424 HG13 -0.05 0.25 0.05 -0.04 1.21 1.43 2o1pB1 ILE 424 HG23 -0.00 -0.01 -0.13 -0.04 0.93 0.74 2o1pB1 ILE 424 HD13 0.02 -0.01 -0.12 -0.04 0.88 0.72 2o1pB1 GLN 425 H -0.34 0.35 -0.40 -0.55 8.47 7.53 2o1pB1 GLN 425 HA -0.51 -0.00 0.35 -0.75 4.36 3.44 2o1pB1 GLN 425 HB2 -0.28 0.19 0.04 -0.04 2.15 2.06 2o1pB1 GLN 425 HB3 -0.33 -0.08 -0.00 -0.04 2.02 1.58 2o1pB1 GLN 425 HG2 -1.13 -0.09 -0.07 -0.04 2.40 1.08 2o1pB1 GLN 425 HG3 -0.72 0.27 0.08 -0.04 2.39 1.97 2o1pB1 GLN 425 HE21 -0.10 -0.04 -0.07 -0.04 6.97 6.73 2o1pB1 GLN 425 HE22 -0.28 -0.00 -0.07 -0.04 7.69 7.29 2o1pB1 ASP 426 H -0.08 0.31 -0.40 -0.55 8.40 7.67 2o1pB1 ASP 426 HA 0.01 0.05 0.46 -0.75 4.63 4.40 2o1pB1 ASP 426 HB2 -0.04 0.03 0.07 -0.04 2.71 2.73 2o1pB1 ASP 426 HB3 -0.02 0.05 0.16 -0.04 2.70 2.84 2o1pB1 LYS 427 H 0.01 0.52 0.06 -0.55 8.42 8.45 2o1pB1 LYS 427 HA 0.02 0.07 0.43 -0.75 4.32 4.09 2o1pB1 LYS 427 HB2 0.00 0.00 -0.02 -0.04 1.87 1.81 2o1pB1 LYS 427 HB3 0.00 0.19 0.14 -0.04 1.79 2.09 2o1pB1 LYS 427 HG2 -0.01 -0.03 -0.03 -0.04 1.46 1.35 2o1pB1 LYS 427 HG3 -0.01 -0.05 -0.01 -0.04 1.46 1.35 2o1pB1 LYS 427 HD2 -0.01 0.01 0.09 -0.04 1.69 1.74 2o1pB1 LYS 427 HD3 0.00 0.01 0.00 -0.04 1.68 1.65 2o1pB1 LYS 427 HE2 -0.01 -0.00 -0.04 -0.04 2.99 2.90 2o1pB1 LYS 427 HE3 -0.01 -0.03 -0.01 -0.04 2.99 2.91 2o1pB1 TYR 428 H 0.19 0.30 -0.43 -0.55 8.29 7.80 2o1pB1 TYR 428 HA 0.05 0.03 0.63 -0.75 4.56 4.52 2o1pB1 TYR 428 HB2 0.10 -0.03 -0.00 -0.04 3.06 3.08 2o1pB1 TYR 428 HB3 0.20 0.20 -0.00 -0.04 2.98 3.33 2o1pB1 TYR 428 HD2 0.15 0.03 -0.19 -0.04 7.15 7.10 2o1pB1 TYR 428 HE2 0.05 -0.01 -0.14 -0.04 6.85 6.71 2o1pB1 GLY 429 H -0.83 0.10 0.04 -0.55 8.43 7.19 2o1pB1 GLY 429 HA2 -0.70 -0.02 0.25 -0.51 4.01 3.02 2o1pB1 GLY 429 HA3 -0.26 0.18 0.36 -0.51 4.01 3.77 2o1pB1 SER 430 H -0.10 0.23 -0.40 -0.55 8.46 7.65 2o1pB1 SER 430 HA -0.03 0.46 0.97 -0.75 4.49 5.13 2o1pB1 SER 430 HB2 0.01 0.11 -0.03 -0.04 3.95 3.99 2o1pB1 SER 430 HB3 -0.00 0.03 0.00 -0.04 3.93 3.92 2o1pB1 HIS 431 H 0.09 0.75 -0.03 -0.55 8.41 8.67 2o1pB1 HIS 431 HA -0.03 -0.04 0.34 -0.75 4.63 4.14 2o1pB1 HIS 431 HB2 -0.01 0.41 -0.07 -0.04 3.26 3.54 2o1pB1 HIS 431 HB3 0.01 -0.05 0.06 -0.04 3.20 3.17 2o1pB1 HIS 431 HD2 0.00 0.02 -0.03 -0.04 6.97 6.92 2o1pB1 HIS 431 HE1 -0.01 -0.03 0.02 -0.04 7.75 7.68 2o1pB1 LYS 432 H 0.04 0.08 -0.31 -0.55 8.42 7.67 2o1pB1 LYS 432 HA -0.09 0.09 0.43 -0.75 4.32 3.99 2o1pB1 LYS 432 HB2 0.01 -0.04 0.07 -0.04 1.87 1.87 2o1pB1 LYS 432 HB3 -0.01 0.03 -0.03 -0.04 1.79 1.74 2o1pB1 LYS 432 HG2 0.02 0.02 0.02 -0.04 1.46 1.48 2o1pB1 LYS 432 HG3 0.05 -0.02 0.02 -0.04 1.46 1.47 2o1pB1 LYS 432 HD2 0.05 0.00 0.03 -0.04 1.69 1.73 2o1pB1 LYS 432 HD3 0.04 0.02 0.00 -0.04 1.68 1.70 2o1pB1 LYS 432 HE2 0.07 0.00 -0.00 -0.04 2.99 3.02 2o1pB1 LYS 432 HE3 0.12 0.00 -0.00 -0.04 2.99 3.06 2o1pB1 THR 433 H -0.01 0.18 -0.09 -0.55 8.28 7.82 2o1pB1 THR 433 HA -0.02 0.08 0.50 -0.75 4.39 4.19 2o1pB1 THR 433 HB 0.00 -0.03 0.17 -0.04 4.32 4.42 2o1pB1 THR 433 HG23 0.00 -0.01 -0.03 -0.04 1.22 1.14 2o1pB1 GLU 434 H -0.04 0.25 -0.53 -0.55 8.60 7.73 2o1pB1 GLU 434 HA 0.00 0.17 0.29 -0.75 4.29 4.00 2o1pB1 GLU 434 HB2 -0.01 0.19 -0.13 -0.04 2.09 2.10 2o1pB1 GLU 434 HB3 -0.01 0.11 0.02 -0.04 1.99 2.06 2o1pB1 GLU 434 HG2 0.05 -0.01 -0.03 -0.04 2.34 2.30 2o1pB1 GLU 434 HG3 0.00 -0.07 -0.02 -0.04 2.34 2.21 2o1pB1 THR 435 H -0.05 0.24 -0.25 -0.55 8.28 7.68 2o1pB1 THR 435 HA -0.01 0.04 0.41 -0.75 4.39 4.08 2o1pB1 THR 435 HB -0.04 0.05 0.05 -0.04 4.32 4.34 2o1pB1 THR 435 HG23 -0.02 -0.01 -0.12 -0.04 1.22 1.04 2o1pB1 ALA 436 H -0.01 0.39 -0.32 -0.55 8.40 7.90 2o1pB1 ALA 436 HA -0.01 0.03 0.27 -0.75 4.34 3.87 2o1pB1 ALA 436 HB3 -0.02 0.03 0.06 -0.04 1.41 1.44 2o1pB1 LEU 437 H -0.00 0.43 -0.39 -0.55 8.37 7.86 2o1pB1 LEU 437 HA -0.12 0.02 0.34 -0.75 4.35 3.84 2o1pB1 LEU 437 HB2 0.05 0.13 0.04 -0.04 1.64 1.81 2o1pB1 LEU 437 HB3 -0.11 -0.02 0.03 -0.04 1.64 1.49 2o1pB1 LEU 437 HG 0.02 0.08 -0.06 -0.04 1.64 1.65 2o1pB1 LEU 437 HD13 0.25 -0.02 -0.03 -0.04 0.93 1.08 2o1pB1 LEU 437 HD23 -0.15 -0.01 -0.13 -0.04 0.89 0.56 2o1pB1 ASN 438 H 0.02 0.38 -0.32 -0.55 8.53 8.06 2o1pB1 ASN 438 HA 0.07 0.17 0.47 -0.75 4.76 4.72 2o1pB1 ASN 438 HB2 0.02 0.11 0.07 -0.04 2.88 3.04 2o1pB1 ASN 438 HB3 0.03 -0.04 0.11 -0.04 2.79 2.86 2o1pB1 ASN 438 HD21 0.05 -0.04 -0.02 -0.04 7.03 6.98 2o1pB1 ASN 438 HD22 0.03 0.21 0.07 -0.04 7.74 8.01 2o1pB1 ALA 439 H -0.00 0.33 -0.42 -0.55 8.40 7.76 2o1pB1 ALA 439 HA 0.01 0.05 0.66 -0.75 4.34 4.30 2o1pB1 ALA 439 HB3 -0.01 -0.01 0.07 -0.04 1.41 1.42 2o1pB1 LEU 440 H -0.01 0.32 -0.14 -0.55 8.37 8.00 2o1pB1 LEU 440 HA 0.04 0.07 0.81 -0.75 4.35 4.51 2o1pB1 LEU 440 HB2 -0.09 0.08 0.10 -0.04 1.64 1.69 2o1pB1 LEU 440 HB3 0.11 0.07 -0.03 -0.04 1.64 1.75 2o1pB1 LEU 440 HG -0.03 0.02 -0.04 -0.04 1.64 1.54 2o1pB1 LEU 440 HD13 0.01 0.01 -0.05 -0.04 0.93 0.85 2o1pB1 LEU 440 HD23 -0.10 -0.04 -0.04 -0.04 0.89 0.68 2o1pB1 LYS 441 H 0.07 0.12 0.15 -0.55 8.42 8.20 2o1pB1 LYS 441 HA 0.07 0.05 0.50 -0.75 4.32 4.18 2o1pB1 LYS 441 HB2 0.04 -0.04 0.18 -0.04 1.87 2.02 2o1pB1 LYS 441 HB3 0.03 0.05 -0.04 -0.04 1.79 1.78 2o1pB1 LYS 441 HG2 0.03 0.05 0.01 -0.04 1.46 1.51 2o1pB1 LYS 441 HG3 0.02 -0.02 0.04 -0.04 1.46 1.47 2o1pB1 LYS 441 HD2 0.02 -0.02 -0.00 -0.04 1.69 1.65 2o1pB1 LYS 441 HD3 0.01 -0.03 -0.01 -0.04 1.68 1.60 2o1pB1 LYS 441 HE2 0.01 -0.08 -0.02 -0.04 2.99 2.86 2o1pB1 LYS 441 HE3 0.01 0.03 -0.09 -0.04 2.99 2.89 2o1pB1 LEU 442 H 0.08 0.13 0.21 -0.55 8.37 8.24 2o1pB1 LEU 442 HA -0.22 0.09 0.64 -0.75 4.35 4.11 2o1pB1 LEU 442 HB2 0.03 0.04 0.10 -0.04 1.64 1.78 2o1pB1 LEU 442 HB3 -0.01 -0.07 0.10 -0.04 1.64 1.62 2o1pB1 LEU 442 HG -0.12 0.07 -0.37 -0.04 1.64 1.18 2o1pB1 LEU 442 HD13 -0.37 0.02 0.06 -0.04 0.93 0.59 2o1pB1 LEU 442 HD23 -0.02 -0.02 -0.05 -0.04 0.89 0.77 2o1pB1 VAL 443 H -0.24 0.57 0.39 -0.55 8.24 8.41 2o1pB1 VAL 443 HA -0.06 0.02 0.71 -0.75 4.13 4.04 2o1pB1 VAL 443 HB -0.17 0.01 0.15 -0.04 2.12 2.08 2o1pB1 VAL 443 HG13 -0.06 0.03 -0.06 -0.04 0.97 0.83 2o1pB1 VAL 443 HG23 -0.11 0.00 -0.09 -0.04 0.95 0.71 2o1pB1 THR 444 H -0.04 0.04 0.02 -0.55 8.28 7.75 2o1pB1 THR 444 HA -0.04 0.23 0.81 -0.75 4.39 4.64 2o1pB1 THR 444 HB -0.01 -0.01 0.12 -0.04 4.32 4.38 2o1pB1 THR 444 HG23 -0.03 0.05 -0.21 -0.04 1.22 0.99 2o1pB1 ASP 445 H -0.01 0.16 0.03 -0.55 8.40 8.03 2o1pB1 ASP 445 HA -0.00 0.26 0.79 -0.75 4.63 4.92 2o1pB1 ASP 445 HB2 -0.00 -0.03 0.18 -0.04 2.71 2.82 2o1pB1 ASP 445 HB3 0.00 0.01 0.19 -0.04 2.70 2.86 2o1pB1 GLU 446 H -0.01 0.19 -0.28 -0.55 8.60 7.95 2o1pB1 GLU 446 HA -0.00 0.14 0.51 -0.75 4.29 4.18 2o1pB1 GLU 446 HB2 -0.00 -0.01 0.13 -0.04 2.09 2.17 2o1pB1 GLU 446 HB3 -0.01 -0.03 -0.11 -0.04 1.99 1.80 2o1pB1 GLU 446 HG2 -0.01 0.12 -0.34 -0.04 2.34 2.07 2o1pB1 GLU 446 HG3 -0.00 0.01 -0.06 -0.04 2.34 2.24 2o1pB1 ASN 447 H -0.00 0.02 0.06 -0.55 8.53 8.07 2o1pB1 ASN 447 HA -0.00 0.14 0.59 -0.75 4.76 4.73 2o1pB1 ASN 447 HB2 0.00 0.12 -0.06 -0.04 2.88 2.90 2o1pB1 ASN 447 HB3 0.00 0.12 -0.18 -0.04 2.79 2.69 2o1pB1 ASN 447 HD21 0.00 -0.01 -0.07 -0.04 7.03 6.90 2o1pB1 ASN 447 HD22 0.00 0.06 -0.14 -0.04 7.74 7.63 2o1pB1 LYS 448 H 0.00 0.02 0.11 -0.55 8.42 8.00 2o1pB1 LYS 448 HA 0.00 -0.01 0.32 -0.75 4.32 3.88 2o1pB1 LYS 448 HB2 0.00 0.21 -0.12 -0.04 1.87 1.92 2o1pB1 LYS 448 HB3 0.00 -0.15 0.16 -0.04 1.79 1.77 2o1pB1 LYS 448 HG2 0.00 0.03 0.04 -0.04 1.46 1.49 2o1pB1 LYS 448 HG3 -0.00 -0.22 -0.15 -0.04 1.46 1.05 2o1pB1 LYS 448 HD2 0.00 0.07 -0.07 -0.04 1.69 1.65 2o1pB1 LYS 448 HD3 0.00 0.00 0.00 -0.04 1.68 1.64 2o1pB1 LYS 448 HE2 0.00 0.01 0.00 -0.04 2.99 2.96 2o1pB1 LYS 448 HE3 0.00 -0.05 -0.03 -0.04 2.99 2.87 2o1pB1 GLU 449 H 0.00 0.02 0.08 -0.55 8.60 8.16 2o1pB1 GLU 449 HA 0.00 0.18 0.46 -0.75 4.29 4.18 2o1pB1 ASP 455 HA 0.00 -0.09 0.39 -0.75 4.63 4.18 2o1pB1 ASP 455 HB2 0.00 0.03 -2.36 -0.04 2.71 0.34 2o1pB1 ASP 455 HB3 0.00 0.02 1.67 -0.04 2.70 4.34 2o1pB1 ALA 456 H -0.00 0.14 0.09 -0.55 8.40 8.08 2o1pB1 ALA 456 HA -0.00 0.15 0.70 -0.75 4.34 4.43 2o1pB1 ALA 456 HB3 -0.00 -0.01 -0.02 -0.04 1.41 1.33 2o1pB1 PRO 457 HA -0.01 -0.01 0.48 -0.51 4.44 4.38 2o1pB1 PRO 457 HB2 -0.03 0.28 0.01 -0.04 2.28 2.51 2o1pB1 PRO 457 HB3 -0.03 -0.01 0.10 -0.04 2.02 2.03 2o1pB1 PRO 457 HG2 -0.01 -0.11 -0.17 -0.04 2.03 1.70 2o1pB1 PRO 457 HG3 -0.01 0.05 0.13 -0.04 2.03 2.15 2o1pB1 PRO 457 HD2 -0.00 0.04 0.19 -0.04 3.68 3.87 2o1pB1 PRO 457 HD3 -0.01 0.15 0.14 -0.04 3.65 3.89 2o1pB1 LYS 458 H -0.01 0.12 0.25 -0.55 8.42 8.22 2o1pB1 LYS 458 HA -0.08 0.26 0.97 -0.75 4.32 4.72 2o1pB1 LYS 458 HB2 -0.03 -0.02 0.17 -0.04 1.87 1.95 2o1pB1 LYS 458 HB3 -0.47 -0.05 -0.10 -0.04 1.79 1.13 2o1pB1 LYS 458 HG2 -0.32 -0.07 -0.09 -0.04 1.46 0.94 2o1pB1 LYS 458 HG3 -0.14 0.04 -0.17 -0.04 1.46 1.15 2o1pB1 LYS 458 HD2 -0.03 0.43 0.02 -0.04 1.69 2.07 2o1pB1 LYS 458 HD3 -0.01 -0.10 0.02 -0.04 1.68 1.55 2o1pB1 LYS 458 HE2 -0.06 -0.05 -0.03 -0.04 2.99 2.80 2o1pB1 LYS 458 HE3 -0.05 -0.05 -0.07 -0.04 2.99 2.78 2o1pB1 ALA 459 H -0.05 0.80 0.40 -0.55 8.40 9.01 2o1pB1 ALA 459 HA -0.00 0.23 1.03 -0.75 4.34 4.84 2o1pB1 ALA 459 HB3 0.17 -0.02 0.04 -0.04 1.41 1.56 2o1pB1 TYR 460 H 0.20 0.95 0.39 -0.55 8.29 9.29 2o1pB1 TYR 460 HA -0.14 0.17 1.13 -0.75 4.56 4.97 2o1pB1 TYR 460 HB2 -0.34 -0.03 0.14 -0.04 3.06 2.80 2o1pB1 TYR 460 HB3 -1.36 0.04 -0.00 -0.04 2.98 1.62 2o1pB1 TYR 460 HD2 -0.09 0.08 -0.11 -0.04 7.15 6.99 2o1pB1 TYR 460 HE2 -0.00 0.07 -0.06 -0.04 6.85 6.81 2o1pB1 LEU 461 H -0.05 0.53 0.42 -0.55 8.37 8.72 2o1pB1 LEU 461 HA 0.04 0.24 0.97 -0.75 4.35 4.85 2o1pB1 LEU 461 HB2 -0.02 0.11 0.11 -0.04 1.64 1.80 2o1pB1 LEU 461 HB3 -0.17 -0.00 -0.05 -0.04 1.64 1.38 2o1pB1 LEU 461 HG -0.14 0.03 -0.14 -0.04 1.64 1.34 2o1pB1 LEU 461 HD13 0.23 -0.03 -0.42 -0.04 0.93 0.66 2o1pB1 LEU 461 HD23 -0.72 -0.00 -0.15 -0.04 0.89 -0.03 2o1pB1 SER 462 H 0.04 0.42 0.20 -0.55 8.46 8.58 2o1pB1 SER 462 HA 0.13 0.20 0.47 -0.75 4.49 4.53 2o1pB1 SER 462 HB2 0.01 -0.03 0.16 -0.04 3.95 4.05 2o1pB1 SER 462 HB3 0.04 0.00 -0.00 -0.04 3.93 3.93 2o1pB1 THR 463 H 0.15 0.56 0.26 -0.55 8.28 8.71 2o1pB1 THR 463 HA -0.04 0.48 1.36 -0.75 4.39 5.44 2o1pB1 THR 463 HB -0.06 0.01 -0.07 -0.04 4.32 4.15 2o1pB1 THR 463 HG23 0.18 0.02 -0.15 -0.04 1.22 1.23 2o1pB1 MET 464 H -0.11 0.66 0.43 -0.55 8.47 8.91 2o1pB1 MET 464 HA 0.19 0.15 0.87 -0.75 4.52 4.98 2o1pB1 MET 464 HB2 0.04 -0.00 0.06 -0.04 2.15 2.20 2o1pB1 MET 464 HB3 0.08 0.07 -0.00 -0.04 2.03 2.14 2o1pB1 MET 464 HG2 0.20 0.06 -0.11 -0.04 2.63 2.73 2o1pB1 MET 464 HG3 0.13 0.03 -0.36 -0.04 2.56 2.32 2o1pB1 MET 464 HE3 -0.04 -0.03 -0.19 -0.04 2.10 1.79 2o1pB1 TYR 465 H 0.30 0.20 0.18 -0.55 8.29 8.42 2o1pB1 TYR 465 HA 0.17 0.39 1.13 -0.75 4.56 5.49 2o1pB1 TYR 465 HB2 0.29 -0.04 0.08 -0.04 3.06 3.35 2o1pB1 TYR 465 HB3 0.43 0.03 -0.08 -0.04 2.98 3.32 2o1pB1 TYR 465 HD2 0.26 0.02 -0.14 -0.04 7.15 7.24 2o1pB1 TYR 465 HE2 -0.20 0.03 -0.12 -0.04 6.85 6.52 2o1pB1 ILE 466 H 0.23 0.63 0.34 -0.55 8.25 8.90 2o1pB1 ILE 466 HA 0.22 0.22 0.80 -0.75 4.18 4.67 2o1pB1 ILE 466 HB 0.06 -0.09 0.12 -0.04 1.89 1.93 2o1pB1 ILE 466 HG12 0.07 0.07 -0.12 -0.04 1.49 1.46 2o1pB1 ILE 466 HG13 0.03 -0.01 -0.28 -0.04 1.21 0.92 2o1pB1 ILE 466 HG23 0.01 0.02 -0.35 -0.04 0.93 0.57 2o1pB1 ILE 466 HD13 -0.05 -0.00 -0.12 -0.04 0.88 0.67 2o1pB1 GLY 467 H 0.31 0.95 0.25 -0.55 8.43 9.40 2o1pB1 GLY 467 HA2 -0.53 0.10 0.82 -0.51 4.01 3.89 2o1pB1 GLY 467 HA3 -0.65 0.05 0.37 -0.51 4.01 3.26 2o1pB1 LEU 468 H -0.52 0.71 0.42 -0.55 8.37 8.44 2o1pB1 LEU 468 HA -0.37 0.35 1.18 -0.75 4.35 4.76 2o1pB1 LEU 468 HB2 0.11 -0.01 -0.04 -0.04 1.64 1.66 2o1pB1 LEU 468 HB3 -0.36 -0.04 -0.05 -0.04 1.64 1.15 2o1pB1 LEU 468 HG -0.03 0.02 -0.37 -0.04 1.64 1.22 2o1pB1 LEU 468 HD13 0.30 -0.02 -0.19 -0.04 0.93 0.98 2o1pB1 LEU 468 HD23 -0.18 0.03 -0.02 -0.04 0.89 0.68 2o1pB1 ASP 469 H -0.37 0.47 0.32 -0.55 8.40 8.27 2o1pB1 ASP 469 HA 0.08 0.08 0.91 -0.75 4.63 4.95 2o1pB1 ASP 469 HB2 -0.11 0.03 -0.11 -0.04 2.71 2.48 2o1pB1 ASP 469 HB3 -0.04 -0.08 0.04 -0.04 2.70 2.57 2o1pB1 PHE 470 H 0.32 0.18 0.19 -0.55 8.34 8.48 2o1pB1 PHE 470 HA 0.01 0.19 1.02 -0.75 4.62 5.08 2o1pB1 PHE 470 HB2 0.06 -0.05 0.15 -0.04 3.15 3.27 2o1pB1 PHE 470 HB3 0.00 0.16 0.08 -0.04 3.06 3.26 2o1pB1 PHE 470 HD2 0.05 0.02 -0.05 -0.04 7.28 7.26 2o1pB1 PHE 470 HE2 0.01 -0.02 -0.14 -0.04 7.38 7.19 2o1pB1 PHE 470 HZ -0.09 -0.02 -0.12 -0.04 7.32 7.05 2o1pB1 ASN 471 H 0.07 0.46 0.23 -0.55 8.53 8.74 2o1pB1 ASN 471 HA 0.08 0.05 0.61 -0.75 4.76 4.74 2o1pB1 ASN 471 HB2 0.05 -0.03 -0.03 -0.04 2.88 2.83 2o1pB1 ASN 471 HB3 0.05 0.01 -0.13 -0.04 2.79 2.68 2o1pB1 ASN 471 HD21 0.01 0.09 -0.17 -0.04 7.03 6.92 2o1pB1 ASN 471 HD22 0.02 0.16 -0.08 -0.04 7.74 7.79 2o1pB1 ILE 472 H 0.06 0.17 0.12 -0.55 8.25 8.04 2o1pB1 ILE 472 HA 0.05 0.10 0.85 -0.75 4.18 4.43 2o1pB1 ILE 472 HB 0.04 -0.02 0.21 -0.04 1.89 2.08 2o1pB1 ILE 472 HG12 0.05 0.01 0.04 -0.04 1.49 1.55 2o1pB1 ILE 472 HG13 0.07 0.01 -0.06 -0.04 1.21 1.18 2o1pB1 ILE 472 HG23 0.03 0.02 -0.02 -0.04 0.93 0.92 2o1pB1 ILE 472 HD13 0.05 -0.01 0.04 -0.04 0.88 0.92 2o1pB1 GLU 473 H 0.04 0.14 -0.05 -0.55 8.60 8.19 2o1pB1 GLU 473 HA 0.03 0.12 0.38 -0.75 4.29 4.07 2o1pB1 GLU 473 HB2 0.03 0.05 0.04 -0.04 2.09 2.16 2o1pB1 GLU 473 HB3 0.02 -0.11 0.04 -0.04 1.99 1.89 2o1pB1 GLU 473 HG2 0.03 0.06 -0.08 -0.04 2.34 2.30 2o1pB1 GLU 473 HG3 0.04 0.05 -0.13 -0.04 2.34 2.26 2o1pB1 ASN 474 H 0.02 0.12 0.08 -0.55 8.53 8.20 2o1pB1 ASN 474 HA 0.02 0.24 0.74 -0.75 4.76 5.00 2o1pB1 ASN 474 HB2 0.01 -0.02 0.12 -0.04 2.88 2.95 2o1pB1 ASN 474 HB3 0.01 -0.01 0.21 -0.04 2.79 2.96 2o1pB1 ASN 474 HD21 0.02 0.02 0.00 -0.04 7.03 7.02 2o1pB1 ASN 474 HD22 0.01 -0.02 0.03 -0.04 7.74 7.72 2o1pB1 LYS 475 H 0.01 0.12 -0.49 -0.55 8.42 7.50 2o1pB1 LYS 475 HA 0.01 0.18 0.84 -0.75 4.32 4.59 2o1pB1 LYS 475 HB2 0.01 0.15 -0.10 -0.04 1.87 1.88 2o1pB1 LYS 475 HB3 0.00 -0.08 0.09 -0.04 1.79 1.76 2o1pB1 LYS 475 HG2 0.01 0.05 -0.09 -0.04 1.46 1.38 2o1pB1 LYS 475 HG3 0.01 -0.16 -0.24 -0.04 1.46 1.02 2o1pB1 LYS 475 HD2 0.01 -0.00 -0.05 -0.04 1.69 1.61 2o1pB1 LYS 475 HD3 0.01 0.02 -0.02 -0.04 1.68 1.65 2o1pB1 LYS 475 HE2 0.01 -0.01 -0.03 -0.04 2.99 2.91 2o1pB1 LYS 475 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.94 2o1pB1 LYS 476 H 0.00 0.09 0.11 -0.55 8.42 8.07 2o1pB1 LYS 476 HA 0.00 0.14 0.49 -0.75 4.32 4.19 2o1pB1 GLU 477 H -0.00 0.02 -0.02 -0.55 8.60 8.04 2o1pB1 GLU 477 HA -0.01 0.17 0.72 -0.75 4.29 4.41 2o1pB1 GLU 477 HB2 -0.02 0.12 -0.04 -0.04 2.09 2.12 2o1pB1 GLU 477 HB3 -0.02 0.01 0.05 -0.04 1.99 1.98 2o1pB1 GLU 477 HG2 -0.01 0.03 0.02 -0.04 2.34 2.33 2o1pB1 GLU 477 HG3 -0.01 -0.05 0.02 -0.04 2.34 2.27 2o1pB1 LYS 478 H -0.03 0.08 0.14 -0.55 8.42 8.05 2o1pB1 LYS 478 HA -0.01 0.11 0.41 -0.75 4.32 4.07 2o1pB1 LYS 478 HB2 -0.08 -0.03 0.10 -0.04 1.87 1.82 2o1pB1 LYS 478 HB3 -0.11 0.02 0.11 -0.04 1.79 1.76 2o1pB1 LYS 478 HG2 -0.07 0.04 0.06 -0.04 1.46 1.45 2o1pB1 LYS 478 HG3 -0.03 0.06 -0.02 -0.04 1.46 1.42 2o1pB1 LYS 478 HD2 -0.04 -0.03 0.07 -0.04 1.69 1.64 2o1pB1 LYS 478 HD3 -0.08 -0.01 0.04 -0.04 1.68 1.58 2o1pB1 LYS 478 HE2 -0.02 -0.00 0.03 -0.04 2.99 2.95 2o1pB1 LYS 478 HE3 -0.01 0.06 0.02 -0.04 2.99 3.02 2o1pB1 VAL 479 H -0.00 0.14 0.14 -0.55 8.24 7.97 2o1pB1 VAL 479 HA 0.01 0.08 0.43 -0.75 4.13 3.89 2o1pB1 VAL 479 HB 0.08 0.04 -0.15 -0.04 2.12 2.05 2o1pB1 VAL 479 HG13 0.04 -0.04 0.03 -0.04 0.97 0.97 2o1pB1 VAL 479 HG23 0.23 0.02 0.00 -0.04 0.95 1.16 2o1pB1 ASP 480 H 0.01 0.18 0.20 -0.55 8.40 8.24 2o1pB1 ASP 480 HA -0.00 0.17 0.90 -0.75 4.63 4.94 2o1pB1 ASP 480 HB2 -0.01 0.12 0.05 -0.04 2.71 2.83 2o1pB1 ASP 480 HB3 0.01 0.02 0.16 -0.04 2.70 2.85 2o1pB1 ILE 481 H -0.02 0.20 0.13 -0.55 8.25 8.02 2o1pB1 ILE 481 HA -0.01 0.25 0.83 -0.75 4.18 4.50 2o1pB1 ILE 481 HB -0.08 0.02 0.09 -0.04 1.89 1.88 2o1pB1 ILE 481 HG12 -0.31 0.02 0.01 -0.04 1.49 1.16 2o1pB1 ILE 481 HG13 -0.33 -0.01 -0.14 -0.04 1.21 0.69 2o1pB1 ILE 481 HG23 0.00 0.03 -0.22 -0.04 0.93 0.70 2o1pB1 ILE 481 HD13 -0.25 0.02 -0.08 -0.04 0.88 0.53 2o1pB1 HIS 482 H 0.22 0.08 -0.05 -0.55 8.41 8.12 2o1pB1 HIS 482 HA -0.01 0.10 0.45 -0.75 4.63 4.42 2o1pB1 HIS 482 HB2 -0.02 0.01 0.09 -0.04 3.26 3.30 2o1pB1 HIS 482 HB3 0.00 0.05 0.04 -0.04 3.20 3.25 2o1pB1 HIS 482 HD2 0.00 0.04 0.04 -0.04 6.97 7.01 2o1pB1 HIS 482 HE1 -0.11 0.05 0.03 -0.04 7.75 7.67 2o1pB1 ILE 483 H 0.08 0.10 -0.19 -0.55 8.25 7.69 2o1pB1 ILE 483 HA 0.06 0.05 0.29 -0.75 4.18 3.84 2o1pB1 ILE 483 HB 0.03 0.07 0.05 -0.04 1.89 2.01 2o1pB1 ILE 483 HG12 0.03 0.04 0.01 -0.04 1.49 1.52 2o1pB1 ILE 483 HG13 0.05 -0.14 0.02 -0.04 1.21 1.10 2o1pB1 ILE 483 HG23 0.03 0.01 -0.10 -0.04 0.93 0.84 2o1pB1 ILE 483 HD13 0.02 0.02 0.01 -0.04 0.88 0.89 2o1pB1 PRO 484 HA 0.05 0.10 0.60 -0.51 4.44 4.68 2o1pB1 PRO 484 HB2 0.01 0.05 -0.09 -0.04 2.28 2.21 2o1pB1 PRO 484 HB3 0.02 0.05 0.02 -0.04 2.02 2.07 2o1pB1 PRO 484 HG2 -0.01 0.16 0.03 -0.04 2.03 2.16 2o1pB1 PRO 484 HG3 -0.00 0.08 -0.00 -0.04 2.03 2.07 2o1pB1 PRO 484 HD2 0.02 -0.13 -0.40 -0.04 3.68 3.14 2o1pB1 PRO 484 HD3 0.02 0.13 0.02 -0.04 3.65 3.78 2o1pB1 CYS 485 H 0.01 0.37 -0.25 -0.55 8.50 8.09 2o1pB1 CYS 485 HA 0.03 0.06 0.48 -0.75 4.58 4.39 2o1pB1 CYS 485 HB2 -0.05 -0.01 0.23 -0.04 2.97 3.11 2o1pB1 CYS 485 HB3 -0.00 -0.02 -0.00 -0.04 2.97 2.91 2o1pB1 THR 486 H 0.07 0.71 0.14 -0.55 8.28 8.65 2o1pB1 THR 486 HA 0.11 -0.02 0.40 -0.75 4.39 4.12 2o1pB1 THR 486 HB 0.08 0.15 0.13 -0.04 4.32 4.64 2o1pB1 THR 486 HG23 0.07 -0.01 -0.10 -0.04 1.22 1.15 2o1pB1 GLU 487 H 0.09 0.35 -0.47 -0.55 8.60 8.03 2o1pB1 GLU 487 HA 0.08 -0.01 0.37 -0.75 4.29 3.96 2o1pB1 GLU 487 HB2 0.07 0.14 0.16 -0.04 2.09 2.41 2o1pB1 GLU 487 HB3 0.10 0.10 0.15 -0.04 1.99 2.30 2o1pB1 GLU 487 HG2 0.07 -0.01 -0.14 -0.04 2.34 2.21 2o1pB1 GLU 487 HG3 0.05 -0.04 0.00 -0.04 2.34 2.32 2o1pB1 PHE 488 H 0.23 0.59 -0.04 -0.55 8.34 8.57 2o1pB1 PHE 488 HA 0.03 -0.01 0.36 -0.75 4.62 4.24 2o1pB1 PHE 488 HB2 0.01 0.01 0.14 -0.04 3.15 3.27 2o1pB1 PHE 488 HB3 0.02 0.14 0.19 -0.04 3.06 3.37 2o1pB1 PHE 488 HD2 -0.00 0.00 -0.16 -0.04 7.28 7.08 2o1pB1 PHE 488 HE2 -0.06 -0.01 -0.29 -0.04 7.38 6.98 2o1pB1 PHE 488 HZ -0.12 0.11 -0.09 -0.04 7.32 7.18 2o1pB1 VAL 489 H 0.23 0.53 -0.23 -0.55 8.24 8.21 2o1pB1 VAL 489 HA 0.12 0.01 0.40 -0.75 4.13 3.91 2o1pB1 VAL 489 HB 0.16 0.07 0.12 -0.04 2.12 2.43 2o1pB1 VAL 489 HG13 0.16 -0.01 -0.09 -0.04 0.97 0.99 2o1pB1 VAL 489 HG23 0.23 -0.01 -0.07 -0.04 0.95 1.06 2o1pB1 ASN 490 H 0.10 0.74 0.07 -0.55 8.53 8.89 2o1pB1 ASN 490 HA 0.10 -0.04 0.45 -0.75 4.76 4.52 2o1pB1 ASN 490 HB2 0.07 0.15 0.15 -0.04 2.88 3.21 2o1pB1 ASN 490 HB3 0.07 -0.06 0.06 -0.04 2.79 2.82 2o1pB1 ASN 490 HD21 0.06 -0.07 -0.02 -0.04 7.03 6.97 2o1pB1 ASN 490 HD22 0.06 -0.01 -0.04 -0.04 7.74 7.70 2o1pB1 LEU 491 H 0.01 0.37 -0.63 -0.55 8.37 7.58 2o1pB1 LEU 491 HA 0.07 0.03 0.37 -0.75 4.35 4.07 2o1pB1 LEU 491 HB2 0.02 0.00 -0.00 -0.04 1.64 1.62 2o1pB1 LEU 491 HB3 -0.10 0.18 0.08 -0.04 1.64 1.76 2o1pB1 LEU 491 HG 0.05 -0.02 -0.07 -0.04 1.64 1.56 2o1pB1 LEU 491 HD13 0.06 -0.02 -0.01 -0.04 0.93 0.91 2o1pB1 LEU 491 HD23 -0.04 -0.01 -0.06 -0.04 0.89 0.74 2o1pB1 CYS 492 H -0.05 0.38 -0.08 -0.55 8.50 8.20 2o1pB1 CYS 492 HA 0.01 0.14 0.88 -0.75 4.58 4.86 2o1pB1 CYS 492 HB2 0.03 0.05 0.11 -0.04 2.97 3.12 2o1pB1 CYS 492 HB3 0.04 -0.05 -0.00 -0.04 2.97 2.91 2o1pB1 ARG 493 H 0.17 0.52 0.05 -0.55 8.46 8.65 2o1pB1 ARG 493 HA 0.10 0.09 0.37 -0.75 4.34 4.14 2o1pB1 ARG 493 HB2 0.16 0.14 0.16 -0.04 1.90 2.32 2o1pB1 ARG 493 HB3 0.13 0.02 -0.03 -0.04 1.80 1.88 2o1pB1 ARG 493 HG2 0.31 -0.03 0.01 -0.04 1.67 1.91 2o1pB1 ARG 493 HG3 0.10 0.01 0.02 -0.04 1.67 1.76 2o1pB1 ARG 493 HD2 0.30 -0.03 -0.09 -0.04 3.22 3.37 2o1pB1 ARG 493 HD3 0.28 0.05 0.02 -0.04 3.22 3.53 2o1pB1 SER 494 H 0.12 0.48 -0.05 -0.55 8.46 8.46 2o1pB1 SER 494 HA 0.07 0.13 0.38 -0.75 4.49 4.32 2o1pB1 SER 494 HB2 0.06 0.02 -0.02 -0.04 3.95 3.97 2o1pB1 SER 494 HB3 0.05 -0.07 0.10 -0.04 3.93 3.96 2o1pB1 PHE 495 H 0.26 0.09 -0.93 -0.55 8.34 7.21 2o1pB1 PHE 495 HA 0.03 0.02 0.41 -0.75 4.62 4.32 2o1pB1 PHE 495 HB2 0.04 0.39 0.15 -0.04 3.15 3.70 2o1pB1 PHE 495 HB3 0.15 0.02 0.01 -0.04 3.06 3.20 2o1pB1 PHE 495 HD2 0.07 0.05 -0.12 -0.04 7.28 7.24 2o1pB1 PHE 495 HE2 0.03 -0.04 -0.01 -0.04 7.38 7.31 2o1pB1 PHE 495 HZ 0.01 -0.04 -0.00 -0.04 7.32 7.25 2o1pB1 ASN 496 H 0.27 0.31 -0.26 -0.55 8.53 8.30 2o1pB1 ASN 496 HA 0.06 0.21 0.82 -0.75 4.76 5.10 2o1pB1 ASN 496 HB2 0.27 0.14 0.06 -0.04 2.88 3.30 2o1pB1 ASN 496 HB3 -0.08 -0.38 0.09 -0.04 2.79 2.38 2o1pB1 ASN 496 HD21 0.12 0.03 -0.00 -0.04 7.03 7.14 2o1pB1 ASN 496 HD22 0.48 0.06 -0.08 -0.04 7.74 8.16 2o1pB1 GLU 497 H -0.02 0.13 0.16 -0.55 8.60 8.32 2o1pB1 GLU 497 HA -0.01 0.25 0.75 -0.75 4.29 4.52 2o1pB1 GLU 497 HB2 -0.03 -0.05 0.14 -0.04 2.09 2.11 2o1pB1 GLU 497 HB3 -0.03 0.02 -0.01 -0.04 1.99 1.93 2o1pB1 GLU 497 HG2 -0.01 0.02 0.06 -0.04 2.34 2.38 2o1pB1 GLU 497 HG3 -0.01 0.07 0.03 -0.04 2.34 2.39 2o1pB1 ASP 498 H -0.10 0.01 0.10 -0.55 8.40 7.86 2o1pB1 ASP 498 HA -0.08 0.12 0.38 -0.75 4.63 4.30 2o1pB1 ASP 498 HB2 -0.37 -0.04 0.17 -0.04 2.71 2.43 2o1pB1 ASP 498 HB3 -0.42 0.05 -0.02 -0.04 2.70 2.27 2o1pB1 TYR 499 H -0.19 0.07 -0.06 -0.55 8.29 7.56 2o1pB1 TYR 499 HA -0.48 0.03 0.36 -0.75 4.56 3.72 2o1pB1 TYR 499 HB2 -0.20 0.11 0.09 -0.04 3.06 3.03 2o1pB1 TYR 499 HB3 -0.99 0.05 0.12 -0.04 2.98 2.12 2o1pB1 TYR 499 HD2 -1.01 0.02 -0.00 -0.04 7.15 6.12 2o1pB1 TYR 499 HE2 -0.27 0.01 -0.04 -0.04 6.85 6.51 2o1pB1 GLY 500 H -0.06 0.11 -0.93 -0.55 8.43 7.01 2o1pB1 GLY 500 HA2 -0.29 0.10 0.59 -0.51 4.01 3.90 2o1pB1 GLY 500 HA3 -0.11 0.09 0.23 -0.51 4.01 3.72 2o1pB1 ASP 501 H -0.07 0.13 -0.47 -0.55 8.40 7.44 2o1pB1 ASP 501 HA -0.06 0.16 0.42 -0.75 4.63 4.40 2o1pB1 ASP 501 HB2 -0.00 0.28 0.18 -0.04 2.71 3.13 2o1pB1 ASP 501 HB3 -0.11 -0.32 0.16 -0.04 2.70 2.39 2o1pB1 HIS 502 H -0.11 0.15 0.11 -0.55 8.41 8.02 2o1pB1 HIS 502 HA 0.08 0.35 0.36 -0.75 4.63 4.67 2o1pB1 HIS 502 HB2 0.03 0.24 0.20 -0.04 3.26 3.70 2o1pB1 HIS 502 HB3 0.05 -0.05 0.03 -0.04 3.20 3.18 2o1pB1 HIS 502 HD2 0.03 0.04 -0.11 -0.04 6.97 6.90 2o1pB1 HIS 502 HE1 0.09 -0.04 -0.00 -0.04 7.75 7.75 2o1pB1 LYS 503 H 0.06 0.31 -0.70 -0.55 8.42 7.54 2o1pB1 LYS 503 HA 0.12 0.12 0.61 -0.75 4.32 4.41 2o1pB1 LYS 503 HB2 -0.02 -0.04 0.00 -0.04 1.87 1.77 2o1pB1 LYS 503 HB3 -0.00 -0.00 0.06 -0.04 1.79 1.81 2o1pB1 LYS 503 HG2 0.06 0.12 0.04 -0.04 1.46 1.64 2o1pB1 LYS 503 HG3 0.02 -0.01 0.04 -0.04 1.46 1.46 2o1pB1 LYS 503 HD2 0.06 0.03 0.02 -0.04 1.69 1.76 2o1pB1 LYS 503 HD3 0.04 0.00 0.01 -0.04 1.68 1.69 2o1pB1 LYS 503 HE2 0.02 0.01 0.06 -0.04 2.99 3.03 2o1pB1 LYS 503 HE3 0.03 -0.05 0.03 -0.04 2.99 2.96 2o1pB1 VAL 504 H -0.10 -0.17 -0.19 -0.55 8.24 7.24 2o1pB1 VAL 504 HA -0.31 0.29 0.91 -0.75 4.13 4.27 2o1pB1 VAL 504 HB -0.64 -0.02 -0.03 -0.04 2.12 1.38 2o1pB1 VAL 504 HG13 -0.22 0.05 -0.09 -0.04 0.97 0.66 2o1pB1 VAL 504 HG23 -0.78 -0.02 0.00 -0.04 0.95 0.11 2o1pB1 PHE 505 H -0.15 -0.16 0.10 -0.55 8.34 7.58 2o1pB1 PHE 505 HA -0.05 0.36 1.09 -0.75 4.62 5.27 2o1pB1 PHE 505 HB2 -0.50 -0.01 0.19 -0.04 3.15 2.79 2o1pB1 PHE 505 HB3 -1.41 0.13 0.07 -0.04 3.06 1.81 2o1pB1 PHE 505 HD2 -0.30 0.11 0.06 -0.04 7.28 7.11 2o1pB1 PHE 505 HE2 -0.01 0.02 -0.13 -0.04 7.38 7.22 2o1pB1 PHE 505 HZ 0.02 -0.05 -0.04 -0.04 7.32 7.21 2o1pB1 ASN 506 H 0.60 0.56 0.30 -0.55 8.53 9.44 2o1pB1 ASN 506 HA 0.38 0.18 0.79 -0.75 4.76 5.35 2o1pB1 ASN 506 HB2 0.38 -0.03 -0.08 -0.04 2.88 3.11 2o1pB1 ASN 506 HB3 0.31 -0.02 0.01 -0.04 2.79 3.05 2o1pB1 ASN 506 HD21 0.24 0.40 -0.13 -0.04 7.03 7.50 2o1pB1 ASN 506 HD22 0.36 -0.26 -0.94 -0.04 7.74 6.86 2o1pB1 LEU 507 H 0.40 0.25 0.11 -0.55 8.37 8.58 2o1pB1 LEU 507 HA 0.35 0.28 0.92 -0.75 4.35 5.14 2o1pB1 LEU 507 HB2 0.64 0.05 -0.18 -0.04 1.64 2.11 2o1pB1 LEU 507 HB3 0.37 -0.04 0.09 -0.04 1.64 2.02 2o1pB1 LEU 507 HG 0.22 -0.03 -0.28 -0.04 1.64 1.51 2o1pB1 LEU 507 HD13 -0.03 0.06 -0.08 -0.04 0.93 0.84 2o1pB1 LEU 507 HD23 0.10 -0.01 -0.05 -0.04 0.89 0.89 2o1pB1 ALA 508 H 0.25 0.61 0.31 -0.55 8.40 9.02 2o1pB1 ALA 508 HA 0.19 0.13 0.97 -0.75 4.34 4.88 2o1pB1 ALA 508 HB3 0.30 0.01 0.02 -0.04 1.41 1.70 2o1pB1 LEU 509 H 0.12 0.19 0.14 -0.55 8.37 8.28 2o1pB1 LEU 509 HA 0.05 0.35 1.09 -0.75 4.35 5.09 2o1pB1 LEU 509 HB2 0.08 -0.05 0.10 -0.04 1.64 1.73 2o1pB1 LEU 509 HB3 0.02 -0.04 -0.03 -0.04 1.64 1.55 2o1pB1 LEU 509 HG -0.06 0.06 -0.05 -0.04 1.64 1.55 2o1pB1 LEU 509 HD13 0.12 0.03 -0.22 -0.04 0.93 0.82 2o1pB1 LEU 509 HD23 -0.05 -0.01 -0.06 -0.04 0.89 0.73 2o1pB1 ARG 510 H 0.05 0.88 0.31 -0.55 8.46 9.15 2o1pB1 ARG 510 HA 0.11 0.12 1.03 -0.75 4.34 4.83 2o1pB1 ARG 510 HB2 0.10 0.01 -0.14 -0.04 1.90 1.83 2o1pB1 ARG 510 HB3 0.07 -0.02 0.06 -0.04 1.80 1.87 2o1pB1 ARG 510 HG2 0.07 0.02 -0.33 -0.04 1.67 1.39 2o1pB1 ARG 510 HG3 0.09 -0.02 0.00 -0.04 1.67 1.71 2o1pB1 ARG 510 HD2 0.06 0.02 -0.09 -0.04 3.22 3.17 2o1pB1 ARG 510 HD3 0.03 -0.03 -0.19 -0.04 3.22 2.99 2o1pB1 PHE 511 H 0.22 0.15 0.17 -0.55 8.34 8.32 2o1pB1 PHE 511 HA 0.07 0.21 0.92 -0.75 4.62 5.06 2o1pB1 PHE 511 HB2 -0.03 -0.04 0.11 -0.04 3.15 3.15 2o1pB1 PHE 511 HB3 0.02 -0.01 0.16 -0.04 3.06 3.19 2o1pB1 PHE 511 HD2 0.02 0.00 -0.06 -0.04 7.28 7.20 2o1pB1 PHE 511 HE2 -0.09 -0.01 -0.12 -0.04 7.38 7.12 2o1pB1 PHE 511 HZ -0.80 -0.01 -0.09 -0.04 7.32 6.38 2o1pB1 VAL 512 H -0.19 0.77 0.37 -0.55 8.24 8.63 2o1pB1 VAL 512 HA -0.08 0.09 0.92 -0.75 4.13 4.31 2o1pB1 VAL 512 HB 0.04 -0.01 -0.04 -0.04 2.12 2.07 2o1pB1 VAL 512 HG13 -0.04 0.10 -0.18 -0.04 0.97 0.81 2o1pB1 VAL 512 HG23 0.03 0.03 -0.34 -0.04 0.95 0.63 2o1pB1 LYS 513 H -0.14 0.10 0.17 -0.55 8.42 7.99 2o1pB1 LYS 513 HA -0.31 0.26 0.83 -0.75 4.32 4.35 2o1pB1 LYS 513 HB2 -0.47 -0.09 0.15 -0.04 1.87 1.42 2o1pB1 LYS 513 HB3 -0.82 -0.00 0.13 -0.04 1.79 1.05 2o1pB1 LYS 513 HG2 -0.18 0.07 0.07 -0.04 1.46 1.38 2o1pB1 LYS 513 HG3 -0.02 -0.03 0.03 -0.04 1.46 1.40 2o1pB1 LYS 513 HD2 -0.08 -0.02 0.05 -0.04 1.69 1.60 2o1pB1 LYS 513 HD3 -0.35 0.00 0.04 -0.04 1.68 1.33 2o1pB1 LYS 513 HE2 0.18 0.02 0.02 -0.04 2.99 3.16 2o1pB1 LYS 513 HE3 0.16 -0.00 0.01 -0.04 2.99 3.12 2o1pB1 GLY 514 H -0.27 0.77 0.28 -0.55 8.43 8.66 2o1pB1 GLY 514 HA2 -0.01 0.06 0.34 -0.51 4.01 3.88 2o1pB1 GLY 514 HA3 -0.03 0.18 0.36 -0.51 4.01 4.00 2o1pB1 TYR 515 H -0.44 0.04 -0.08 -0.55 8.29 7.25 2o1pB1 TYR 515 HA -0.05 0.21 0.46 -0.75 4.56 4.43 2o1pB1 TYR 515 HB2 -0.02 0.01 0.08 -0.04 3.06 3.08 2o1pB1 TYR 515 HB3 -0.04 -0.03 0.10 -0.04 2.98 2.97 2o1pB1 TYR 515 HD2 -0.02 0.03 -0.08 -0.04 7.15 7.05 2o1pB1 TYR 515 HE2 -0.01 0.00 0.01 -0.04 6.85 6.81 2o1pB1 ASP 516 H -0.14 0.27 -0.36 -0.55 8.40 7.63 2o1pB1 ASP 516 HA 0.14 0.12 0.76 -0.75 4.63 4.90 2o1pB1 ASP 516 HB2 -0.03 0.04 0.13 -0.04 2.71 2.82 2o1pB1 ASP 516 HB3 0.05 -0.15 0.23 -0.04 2.70 2.78 2o1pB1 LEU 517 H -0.06 0.49 -0.34 -0.55 8.37 7.90 2o1pB1 LEU 517 HA -0.15 0.07 0.46 -0.75 4.35 3.97 2o1pB1 LEU 517 HB2 -0.14 0.15 0.10 -0.04 1.64 1.70 2o1pB1 LEU 517 HB3 -0.52 0.00 -0.01 -0.04 1.64 1.08 2o1pB1 LEU 517 HG -0.27 0.01 -0.03 -0.04 1.64 1.31 2o1pB1 LEU 517 HD13 -0.78 0.01 0.02 -0.04 0.93 0.13 2o1pB1 LEU 517 HD23 -0.44 -0.03 -0.07 -0.04 0.89 0.31 2o1pB1 PRO 518 HA -0.06 0.04 0.40 -0.51 4.44 4.31 2o1pB1 PRO 518 HB2 -0.25 -0.08 -0.12 -0.04 2.28 1.79 2o1pB1 PRO 518 HB3 -0.20 -0.03 -0.05 -0.04 2.02 1.70 2o1pB1 PRO 518 HG2 -0.19 0.02 -0.00 -0.04 2.03 1.81 2o1pB1 PRO 518 HG3 -0.23 0.13 -0.11 -0.04 2.03 1.77 2o1pB1 PRO 518 HD2 -0.43 0.06 0.12 -0.04 3.68 3.39 2o1pB1 PRO 518 HD3 -0.15 0.25 0.22 -0.04 3.65 3.92 2o1pB1 ASP 519 H -0.00 0.13 0.09 -0.55 8.40 8.08 2o1pB1 ASP 519 HA 0.04 0.13 0.37 -0.75 4.63 4.42 2o1pB1 ASP 519 HB2 0.03 -0.05 0.09 -0.04 2.71 2.74 2o1pB1 ASP 519 HB3 0.03 0.08 -0.05 -0.04 2.70 2.71 2o1pB1 GLU 520 H -0.13 0.02 -0.33 -0.55 8.60 7.61 2o1pB1 GLU 520 HA -0.04 0.07 0.15 -0.75 4.29 3.71 2o1pB1 GLU 520 HB2 0.06 0.04 0.01 -0.04 2.09 2.16 2o1pB1 GLU 520 HB3 -0.02 -0.08 -0.01 -0.04 1.99 1.84 2o1pB1 GLU 520 HG2 -0.58 0.02 -0.25 -0.04 2.34 1.49 2o1pB1 GLU 520 HG3 -0.61 0.04 -0.31 -0.04 2.34 1.42 2o1pB1 VAL 521 H -0.61 0.24 -1.00 -0.55 8.24 6.32 2o1pB1 VAL 521 HA -1.13 0.06 0.30 -0.75 4.13 2.61 2o1pB1 VAL 521 HB -1.26 0.24 -0.03 -0.04 2.12 1.03 2o1pB1 VAL 521 HG13 -2.50 -0.02 -0.16 -0.04 0.97 -1.75 2o1pB1 VAL 521 HG23 -2.28 -0.03 -0.08 -0.04 0.95 -1.48 2o1pB1 PHE 522 H -0.32 0.53 -0.02 -0.55 8.34 7.97 2o1pB1 PHE 522 HA -0.12 0.05 0.83 -0.75 4.62 4.63 2o1pB1 PHE 522 HB2 -0.13 0.05 -0.01 -0.04 3.15 3.02 2o1pB1 PHE 522 HB3 -0.04 -0.01 -0.14 -0.04 3.06 2.83 2o1pB1 PHE 522 HD2 -0.28 -0.01 -0.11 -0.04 7.28 6.84 2o1pB1 PHE 522 HE2 -0.79 0.06 -0.21 -0.04 7.38 6.40 2o1pB1 PHE 522 HZ -0.44 0.17 -0.03 -0.04 7.32 6.98 2o1pB1 ASP 523 H 0.15 0.07 0.10 -0.55 8.40 8.17 2o1pB1 ASP 523 HA 0.06 0.13 0.53 -0.75 4.63 4.61 2o1pB1 ASP 523 HB2 0.09 -0.10 0.06 -0.04 2.71 2.72 2o1pB1 ASP 523 HB3 0.06 -0.08 0.13 -0.04 2.70 2.76 2o1pB1 GLU 524 H 0.04 0.11 0.15 -0.55 8.60 8.36 2o1pB1 GLU 524 HA 0.03 0.18 0.44 -0.75 4.29 4.19 2o1pB1 GLU 524 HB2 0.03 -0.05 0.13 -0.04 2.09 2.15 2o1pB1 GLU 524 HB3 0.02 0.01 0.04 -0.04 1.99 2.02 2o1pB1 GLU 524 HG2 0.03 0.00 0.05 -0.04 2.34 2.38 2o1pB1 GLU 524 HG3 0.02 -0.02 0.04 -0.04 2.34 2.33 2o1pB1 ASN 525 H 0.04 -0.08 -0.33 -0.55 8.53 7.62 2o1pB1 ASN 525 HA 0.01 0.21 0.79 -0.75 4.76 5.02 2o1pB1 ASN 525 HB2 0.01 0.01 0.07 -0.04 2.88 2.94 2o1pB1 ASN 525 HB3 0.02 -0.04 -0.02 -0.04 2.79 2.71 2o1pB1 ASN 525 HD21 0.03 0.02 -0.03 -0.04 7.03 7.00 2o1pB1 ASN 525 HD22 0.02 -0.00 -0.02 -0.04 7.74 7.69 2o1pB1 GLU 526 H 0.07 0.04 -0.21 -0.55 8.60 7.96 2o1pB1 GLU 526 HA 0.03 0.11 0.70 -0.75 4.29 4.37 2o1pB1 GLU 526 HB2 0.20 -0.03 0.04 -0.04 2.09 2.26 2o1pB1 GLU 526 HB3 0.29 0.07 -0.06 -0.04 1.99 2.25 2o1pB1 GLU 526 HG2 0.12 0.06 0.01 -0.04 2.34 2.49 2o1pB1 GLU 526 HG3 0.12 -0.09 -0.06 -0.04 2.34 2.27 2o1pB1 LYS 527 H -0.03 0.19 0.07 -0.55 8.42 8.09 2o1pB1 LYS 527 HA -0.16 0.16 0.14 -0.75 4.32 3.71 2o1pB1 LYS 527 HB2 -0.06 -0.04 -0.06 -0.04 1.87 1.67 2o1pB1 LYS 527 HB3 -0.11 0.01 0.00 -0.04 1.79 1.65 2o1pB1 LYS 527 HG2 -0.03 0.19 -0.02 -0.04 1.46 1.55 2o1pB1 LYS 527 HG3 -0.05 -0.08 0.01 -0.04 1.46 1.30 2o1pB1 LYS 527 HD2 -0.08 -0.08 0.05 -0.04 1.69 1.54 2o1pB1 LYS 527 HD3 -0.17 -0.17 0.14 -0.04 1.68 1.44 2o1pB1 LYS 527 HE2 0.00 0.38 0.08 -0.04 2.99 3.41 2o1pB1 LYS 527 HE3 -0.00 -0.11 0.01 -0.04 2.99 2.84 2o1pB1 ARG 528 H -0.41 0.08 0.04 -0.55 8.46 7.62 2o1pB1 ARG 528 HA -1.24 0.11 0.15 -0.75 4.34 2.60 2o1pB1 ARG 528 HB2 -0.39 0.09 0.00 -0.04 1.90 1.57 2o1pB1 ARG 528 HB3 -0.70 0.01 0.05 -0.04 1.80 1.12 2o1pB1 ARG 528 HG2 -0.26 -0.07 0.07 -0.04 1.67 1.37 2o1pB1 ARG 528 HG3 -0.20 -0.03 -0.04 -0.04 1.67 1.36 2o1pB1 ARG 528 HD2 -0.18 -0.06 -0.00 -0.04 3.22 2.95 2o1pB1 ARG 528 HD3 -0.29 0.04 -0.01 -0.04 3.22 2.92 2o1pB1 PRO 529 HA -0.02 0.13 0.35 -0.51 4.44 4.39