============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 62 rings ring int. center anis. iso. TRP 8 1.040 5.578 3.746 14.665 -99.200 -91.000 TRP6 8 1.020 4.351 4.031 12.657 -99.200 -91.000 PHE 25 1.000 6.100 -1.890 -8.528 -99.200 -91.000 PHE 26 1.000 11.029 7.532 -8.566 -99.200 -91.000 TYR 27 0.840 15.599 3.801 -9.344 -99.200 -91.000 PHE 44 1.000 8.987 -7.782 -6.606 -99.200 -91.000 TRP 54 1.040 19.683 -7.808 8.340 -99.200 -91.000 TRP6 54 1.020 21.148 -5.955 8.221 -99.200 -91.000 PHE 56 1.000 26.162 -17.244 5.545 -99.200 -91.000 TYR 57 0.840 27.645 -12.144 5.383 -99.200 -91.000 TYR 59 0.840 21.056 -7.985 13.851 -99.200 -91.000 PHE 63 1.000 22.557 -2.537 13.472 -99.200 -91.000 TYR 76 0.840 24.095 -10.223 18.097 -99.200 -91.000 PHE 89 1.000 18.188 -2.181 15.550 -99.200 -91.000 TYR 92 0.840 12.566 0.286 11.305 -99.200 -91.000 PHE 96 1.000 15.607 1.880 8.023 -99.200 -91.000 PHE 117 1.000 21.554 -5.656 -8.291 -99.200 -91.000 TRP 124 1.040 27.813 -0.726 -2.217 -99.200 -91.000 TRP6 124 1.020 25.975 0.020 -0.923 -99.200 -91.000 PHE 127 1.000 34.168 -6.956 1.753 -99.200 -91.000 TYR 129 0.840 22.945 -0.883 4.834 -99.200 -91.000 PHE 132 1.000 29.313 4.077 4.504 -99.200 -91.000 HIS 134 0.900 30.046 -1.970 14.359 -99.200 -91.000 TRP 135 1.040 32.177 2.411 10.074 -99.200 -91.000 TRP6 135 1.020 32.882 3.486 8.087 -99.200 -91.000 TRP 137 1.040 21.975 4.476 12.580 -99.200 -91.000 TRP6 137 1.020 20.726 3.866 10.663 -99.200 -91.000 TRP 141 1.040 34.682 5.136 12.356 -99.200 -91.000 TRP6 141 1.020 35.441 7.234 11.581 -99.200 -91.000 PHE 150 1.000 14.727 9.836 13.804 -99.200 -91.000 HIS 157 0.900 18.026 8.375 1.779 -99.200 -91.000 PHE 162 1.000 28.483 11.353 -2.915 -99.200 -91.000 PHE 177 1.000 23.714 9.731 -20.816 -99.200 -91.000 TYR 180 0.840 15.666 10.496 -28.743 -99.200 -91.000 HIS 185 0.900 7.844 1.403 -19.346 -99.200 -91.000 TRP 198 1.040 4.878 11.602 0.757 -99.200 -91.000 TRP6 198 1.020 4.902 13.563 -0.578 -99.200 -91.000 PHE 199 1.000 1.369 3.423 2.807 -99.200 -91.000 TRP 201 1.040 11.394 8.589 3.641 -99.200 -91.000 TRP6 201 1.020 12.422 8.552 1.508 -99.200 -91.000 PHE 202 1.000 3.158 9.131 6.224 -99.200 -91.000 PHE 204 1.000 14.304 4.941 5.151 -99.200 -91.000 PHE 232 1.000 5.662 26.037 -4.088 -99.200 -91.000 TRP 234 1.040 13.579 19.360 -7.554 -99.200 -91.000 TRP6 234 1.020 14.585 17.875 -9.103 -99.200 -91.000 TRP 239 1.040 4.589 26.640 -14.317 -99.200 -91.000 TRP6 239 1.020 3.220 25.933 -12.522 -99.200 -91.000 PHE 266 1.000 18.605 13.373 15.747 -99.200 -91.000 TYR 284 0.840 16.395 21.522 -11.751 -99.200 -91.000 PHE 289 1.000 29.197 19.295 -11.984 -99.200 -91.000 TRP 302 1.040 26.278 11.997 -6.946 -99.200 -91.000 TRP6 302 1.020 26.205 14.060 -8.105 -99.200 -91.000 HIS 305 0.900 17.453 8.351 -3.163 -99.200 -91.000 TRP 311 1.040 20.284 20.217 2.668 -99.200 -91.000 TRP6 311 1.020 21.233 21.914 4.015 -99.200 -91.000 TYR 327 0.840 21.583 13.767 20.276 -99.200 -91.000 PHE 332 1.000 17.932 25.524 17.444 -99.200 -91.000 TYR 351 0.840 34.488 2.347 3.266 -99.200 -91.000 PHE 353 1.000 33.656 8.357 -6.691 -99.200 -91.000 TYR 377 0.840 18.753 -2.923 -31.731 -99.200 -91.000 HIS 385 0.900 15.085 -10.359 -15.839 -99.200 -91.000 TYR 390 0.840 4.133 -2.873 -20.270 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2b2fA1 MET 1 HA -0.01 0.02 0.16 -0.75 4.52 3.94 2b2fA1 MET 1 HB2 -0.00 -0.04 -0.12 -0.04 2.15 1.95 2b2fA1 MET 1 HB3 -0.01 0.02 0.08 -0.04 2.03 2.08 2b2fA1 MET 1 HG2 -0.01 0.02 0.06 -0.04 2.63 2.66 2b2fA1 MET 1 HG3 -0.01 0.01 0.03 -0.04 2.56 2.55 2b2fA1 MET 1 HE3 -0.01 0.01 -0.03 -0.04 2.10 2.03 2b2fA1 SER 2 H 0.00 0.24 0.05 -0.55 8.46 8.21 2b2fA1 SER 2 HA 0.01 0.01 0.44 -0.75 4.49 4.19 2b2fA1 SER 2 HB2 0.00 0.08 0.07 -0.04 3.95 4.06 2b2fA1 SER 2 HB3 0.01 0.45 0.72 -0.04 3.93 5.07 2b2fA1 ASP 3 H 0.01 0.20 0.17 -0.55 8.40 8.23 2b2fA1 ASP 3 HA 0.01 0.12 0.40 -0.75 4.63 4.41 2b2fA1 ASP 3 HB2 0.01 -0.00 0.10 -0.04 2.71 2.78 2b2fA1 ASP 3 HB3 0.01 0.06 0.06 -0.04 2.70 2.79 2b2fA1 GLY 4 H 0.02 0.07 -0.16 -0.55 8.43 7.81 2b2fA1 GLY 4 HA2 0.04 0.10 0.39 -0.51 4.01 4.04 2b2fA1 GLY 4 HA3 0.03 0.09 0.30 -0.51 4.01 3.91 2b2fA1 ASN 5 H 0.03 0.16 -0.20 -0.55 8.53 7.97 2b2fA1 ASN 5 HA 0.12 -0.08 0.47 -0.75 4.76 4.52 2b2fA1 ASN 5 HB2 0.02 0.30 0.23 -0.04 2.88 3.39 2b2fA1 ASN 5 HB3 0.03 0.15 0.08 -0.04 2.79 3.02 2b2fA1 ASN 5 HD21 0.02 -0.02 0.06 -0.04 7.03 7.04 2b2fA1 ASN 5 HD22 0.01 0.19 0.13 -0.04 7.74 8.03 2b2fA1 VAL 6 H 0.02 0.51 -0.14 -0.55 8.24 8.08 2b2fA1 VAL 6 HA -0.02 0.06 0.40 -0.75 4.13 3.81 2b2fA1 VAL 6 HB 0.01 0.04 0.11 -0.04 2.12 2.23 2b2fA1 VAL 6 HG13 -0.01 -0.01 -0.11 -0.04 0.97 0.79 2b2fA1 VAL 6 HG23 -0.01 0.06 -0.05 -0.04 0.95 0.91 2b2fA1 ALA 7 H 0.05 0.68 -0.17 -0.55 8.40 8.41 2b2fA1 ALA 7 HA 0.04 -0.01 0.36 -0.75 4.34 3.98 2b2fA1 ALA 7 HB3 0.08 0.03 0.12 -0.04 1.41 1.60 2b2fA1 TRP 8 H 0.25 0.53 -0.13 -0.55 7.97 8.08 2b2fA1 TRP 8 HA -0.02 0.01 0.37 -0.75 4.62 4.22 2b2fA1 TRP 8 HB2 -0.02 -0.00 0.09 -0.04 3.23 3.26 2b2fA1 TRP 8 HB3 -0.04 0.07 0.05 -0.04 3.23 3.26 2b2fA1 TRP 8 HD1 -0.04 -0.03 -0.40 -0.04 7.22 6.71 2b2fA1 TRP 8 HE1 0.02 0.40 -0.23 -0.04 10.20 10.35 2b2fA1 TRP 8 HE3 0.00 -0.01 0.03 -0.04 7.59 7.57 2b2fA1 TRP 8 HZ2 0.11 0.07 -0.17 -0.04 7.44 7.40 2b2fA1 TRP 8 HZ3 0.03 0.00 -0.08 -0.04 7.13 7.04 2b2fA1 TRP 8 HH2 0.14 -0.00 -0.18 -0.04 7.19 7.10 2b2fA1 ILE 9 H -0.06 0.54 -0.20 -0.55 8.25 7.98 2b2fA1 ILE 9 HA -0.69 0.05 0.51 -0.75 4.18 3.30 2b2fA1 ILE 9 HB -0.18 0.04 0.07 -0.04 1.89 1.77 2b2fA1 ILE 9 HG12 -0.10 0.23 -0.04 -0.04 1.49 1.54 2b2fA1 ILE 9 HG13 -0.20 0.04 -0.07 -0.04 1.21 0.93 2b2fA1 ILE 9 HG23 -0.51 -0.00 -0.06 -0.04 0.93 0.31 2b2fA1 ILE 9 HD13 -0.49 -0.04 -0.08 -0.04 0.88 0.23 2b2fA1 LEU 10 H -0.10 0.67 -0.12 -0.55 8.37 8.27 2b2fA1 LEU 10 HA -0.09 0.01 0.44 -0.75 4.35 3.95 2b2fA1 LEU 10 HB2 -0.03 0.15 0.22 -0.04 1.64 1.94 2b2fA1 LEU 10 HB3 -0.03 -0.06 0.00 -0.04 1.64 1.51 2b2fA1 LEU 10 HG -0.04 0.10 0.03 -0.04 1.64 1.68 2b2fA1 LEU 10 HD13 -0.01 -0.03 -0.08 -0.04 0.93 0.77 2b2fA1 LEU 10 HD23 -0.04 -0.02 0.00 -0.04 0.89 0.80 2b2fA1 ALA 11 H -0.09 0.63 -0.08 -0.55 8.40 8.31 2b2fA1 ALA 11 HA -0.06 -0.01 0.38 -0.75 4.34 3.90 2b2fA1 ALA 11 HB3 0.02 0.03 0.09 -0.04 1.41 1.50 2b2fA1 SER 12 H -0.66 0.70 -0.07 -0.55 8.46 7.88 2b2fA1 SER 12 HA -0.45 -0.09 0.41 -0.75 4.49 3.61 2b2fA1 SER 12 HB2 -0.78 0.06 0.18 -0.04 3.95 3.38 2b2fA1 SER 12 HB3 -0.35 0.14 0.12 -0.04 3.93 3.80 2b2fA1 THR 13 H -0.20 0.59 -0.35 -0.55 8.28 7.77 2b2fA1 THR 13 HA 0.12 0.03 0.44 -0.75 4.39 4.22 2b2fA1 THR 13 HB -0.06 0.16 0.16 -0.04 4.32 4.54 2b2fA1 THR 13 HG23 -0.02 -0.02 -0.17 -0.04 1.22 0.97 2b2fA1 ALA 14 H -0.09 0.49 -0.09 -0.55 8.40 8.17 2b2fA1 ALA 14 HA -0.04 -0.00 0.43 -0.75 4.34 3.97 2b2fA1 ALA 14 HB3 -0.03 0.03 0.12 -0.04 1.41 1.49 2b2fA1 LEU 15 H -0.12 0.59 -0.13 -0.55 8.37 8.16 2b2fA1 LEU 15 HA -0.12 -0.02 0.40 -0.75 4.35 3.86 2b2fA1 LEU 15 HB2 -0.16 0.15 0.23 -0.04 1.64 1.82 2b2fA1 LEU 15 HB3 -0.19 -0.05 0.14 -0.04 1.64 1.50 2b2fA1 LEU 15 HG -0.16 0.17 0.01 -0.04 1.64 1.61 2b2fA1 LEU 15 HD13 -0.13 -0.04 -0.07 -0.04 0.93 0.65 2b2fA1 LEU 15 HD23 -0.61 -0.01 -0.06 -0.04 0.89 0.17 2b2fA1 VAL 16 H -0.10 0.58 -0.13 -0.55 8.24 8.04 2b2fA1 VAL 16 HA -0.18 0.02 0.45 -0.75 4.13 3.67 2b2fA1 VAL 16 HB -0.17 0.09 0.07 -0.04 2.12 2.07 2b2fA1 VAL 16 HG13 -0.40 -0.02 -0.20 -0.04 0.97 0.32 2b2fA1 VAL 16 HG23 -0.20 0.07 -0.10 -0.04 0.95 0.68 2b2fA1 MET 17 H -0.10 0.55 -0.18 -0.55 8.47 8.19 2b2fA1 MET 17 HA -0.14 -0.01 0.45 -0.75 4.52 4.07 2b2fA1 MET 17 HB2 -0.08 0.02 0.14 -0.04 2.15 2.19 2b2fA1 MET 17 HB3 -0.06 0.20 0.22 -0.04 2.03 2.35 2b2fA1 MET 17 HG2 -0.09 -0.07 0.03 -0.04 2.63 2.46 2b2fA1 MET 17 HG3 -0.05 -0.03 -0.00 -0.04 2.56 2.44 2b2fA1 MET 17 HE3 -0.06 -0.03 -0.06 -0.04 2.10 1.91 2b2fA1 LEU 18 H -0.06 0.48 -0.21 -0.55 8.37 8.04 2b2fA1 LEU 18 HA -0.04 -0.01 0.38 -0.75 4.35 3.93 2b2fA1 LEU 18 HB2 0.05 0.03 0.11 -0.04 1.64 1.78 2b2fA1 LEU 18 HB3 0.02 0.19 0.12 -0.04 1.64 1.94 2b2fA1 LEU 18 HG 0.11 -0.04 -0.10 -0.04 1.64 1.57 2b2fA1 LEU 18 HD13 0.10 -0.02 0.04 -0.04 0.93 1.01 2b2fA1 LEU 18 HD23 0.29 -0.00 -0.01 -0.04 0.89 1.12 2b2fA1 MET 19 H -0.13 0.36 -0.48 -0.55 8.47 7.67 2b2fA1 MET 19 HA -0.11 -0.02 0.30 -0.75 4.52 3.94 2b2fA1 MET 19 HB2 -0.27 0.31 0.12 -0.04 2.15 2.27 2b2fA1 MET 19 HB3 -0.33 -0.09 0.02 -0.04 2.03 1.59 2b2fA1 MET 19 HG2 -0.13 -0.03 0.05 -0.04 2.63 2.48 2b2fA1 MET 19 HG3 -0.15 0.24 0.12 -0.04 2.56 2.74 2b2fA1 MET 19 HE3 -1.16 0.01 -0.04 -0.04 2.10 0.87 2b2fA1 VAL 20 H -0.21 0.50 -0.35 -0.55 8.24 7.63 2b2fA1 VAL 20 HA -0.25 0.02 0.40 -0.75 4.13 3.54 2b2fA1 VAL 20 HB -0.26 0.13 0.13 -0.04 2.12 2.08 2b2fA1 VAL 20 HG13 -0.23 -0.04 -0.12 -0.04 0.97 0.54 2b2fA1 VAL 20 HG23 -0.21 0.01 -0.02 -0.04 0.95 0.69 2b2fA1 PRO 21 HA -0.73 0.01 0.52 -0.51 4.44 3.73 2b2fA1 PRO 21 HB2 -0.63 -0.01 -0.01 -0.04 2.28 1.59 2b2fA1 PRO 21 HB3 -1.24 -0.00 0.06 -0.04 2.02 0.80 2b2fA1 PRO 21 HG2 -0.16 0.19 0.10 -0.04 2.03 2.12 2b2fA1 PRO 21 HG3 -0.22 0.00 0.05 -0.04 2.03 1.82 2b2fA1 PRO 21 HD2 -0.24 0.31 0.10 -0.04 3.68 3.81 2b2fA1 PRO 21 HD3 -0.42 0.07 0.08 -0.04 3.65 3.34 2b2fA1 GLY 22 H -0.22 0.50 -0.48 -0.55 8.43 7.68 2b2fA1 GLY 22 HA2 0.09 -0.06 0.36 -0.51 4.01 3.90 2b2fA1 GLY 22 HA3 -0.03 0.11 0.22 -0.51 4.01 3.79 2b2fA1 VAL 23 H -0.26 0.58 -0.25 -0.55 8.24 7.76 2b2fA1 VAL 23 HA -0.26 -0.01 0.41 -0.75 4.13 3.51 2b2fA1 VAL 23 HB -0.28 0.19 0.16 -0.04 2.12 2.15 2b2fA1 VAL 23 HG13 -0.54 -0.04 -0.33 -0.04 0.97 0.02 2b2fA1 VAL 23 HG23 -0.30 0.06 0.02 -0.04 0.95 0.69 2b2fA1 GLY 24 H -0.36 0.33 -0.18 -0.55 8.43 7.67 2b2fA1 GLY 24 HA2 -0.09 0.08 0.36 -0.51 4.01 3.85 2b2fA1 GLY 24 HA3 -0.31 0.03 0.40 -0.51 4.01 3.61 2b2fA1 PHE 25 H -0.47 0.64 -0.11 -0.55 8.34 7.85 2b2fA1 PHE 25 HA 0.07 -0.04 0.40 -0.75 4.62 4.30 2b2fA1 PHE 25 HB2 0.07 0.06 0.13 -0.04 3.15 3.37 2b2fA1 PHE 25 HB3 0.07 0.03 0.02 -0.04 3.06 3.14 2b2fA1 PHE 25 HD2 0.06 -0.03 -0.09 -0.04 7.28 7.17 2b2fA1 PHE 25 HE2 0.09 -0.02 -0.09 -0.04 7.38 7.32 2b2fA1 PHE 25 HZ 0.18 -0.01 -0.05 -0.04 7.32 7.39 2b2fA1 PHE 26 H 0.21 0.59 -0.13 -0.55 8.34 8.46 2b2fA1 PHE 26 HA 0.08 0.00 0.48 -0.75 4.62 4.43 2b2fA1 PHE 26 HB2 -0.03 0.06 0.04 -0.04 3.15 3.17 2b2fA1 PHE 26 HB3 -0.25 0.15 0.17 -0.04 3.06 3.09 2b2fA1 PHE 26 HD2 -0.09 0.04 -0.05 -0.04 7.28 7.14 2b2fA1 PHE 26 HE2 0.11 -0.01 -0.08 -0.04 7.38 7.36 2b2fA1 PHE 26 HZ 0.02 -0.01 -0.10 -0.04 7.32 7.18 2b2fA1 TYR 27 H 0.08 0.70 -0.16 -0.55 8.29 8.36 2b2fA1 TYR 27 HA -0.11 0.05 0.46 -0.75 4.56 4.20 2b2fA1 TYR 27 HB2 0.01 0.11 0.07 -0.04 3.06 3.21 2b2fA1 TYR 27 HB3 -0.00 -0.09 -0.07 -0.04 2.98 2.78 2b2fA1 TYR 27 HD2 0.02 -0.00 -0.12 -0.04 7.15 7.01 2b2fA1 TYR 27 HE2 0.14 0.13 -0.02 -0.04 6.85 7.06 2b2fA1 ALA 28 H 0.17 0.79 -0.07 -0.55 8.40 8.73 2b2fA1 ALA 28 HA 0.14 -0.06 0.32 -0.75 4.34 3.99 2b2fA1 ALA 28 HB3 0.20 -0.02 0.08 -0.04 1.41 1.64 2b2fA1 GLY 29 H 0.09 0.55 -0.34 -0.55 8.43 8.19 2b2fA1 GLY 29 HA2 -0.13 -0.07 0.41 -0.51 4.01 3.70 2b2fA1 GLY 29 HA3 -0.05 0.02 0.33 -0.51 4.01 3.79 2b2fA1 MET 30 H 0.01 0.48 -0.37 -0.55 8.47 8.04 2b2fA1 MET 30 HA -0.02 -0.01 0.66 -0.75 4.52 4.40 2b2fA1 MET 30 HB2 -0.04 0.14 0.10 -0.04 2.15 2.32 2b2fA1 MET 30 HB3 -0.04 -0.02 0.10 -0.04 2.03 2.03 2b2fA1 MET 30 HG2 -0.11 -0.10 -0.03 -0.04 2.63 2.35 2b2fA1 MET 30 HG3 -0.20 0.12 0.04 -0.04 2.56 2.48 2b2fA1 MET 30 HE3 -0.18 0.03 -0.03 -0.04 2.10 1.88 2b2fA1 VAL 31 H 0.13 0.34 -0.24 -0.55 8.24 7.92 2b2fA1 VAL 31 HA 0.04 0.23 0.78 -0.75 4.13 4.42 2b2fA1 VAL 31 HB 0.01 -0.14 0.09 -0.04 2.12 2.05 2b2fA1 VAL 31 HG13 -0.00 0.04 -0.11 -0.04 0.97 0.85 2b2fA1 VAL 31 HG23 0.05 0.09 -0.19 -0.04 0.95 0.86 2b2fA1 ARG 32 H 0.02 0.10 0.11 -0.55 8.46 8.15 2b2fA1 ARG 32 HA 0.08 0.22 0.56 -0.75 4.34 4.44 2b2fA1 ARG 32 HB2 -0.00 -0.00 0.14 -0.04 1.90 2.00 2b2fA1 ARG 32 HB3 -0.01 -0.13 0.11 -0.04 1.80 1.74 2b2fA1 ARG 32 HG2 0.04 0.03 0.10 -0.04 1.67 1.79 2b2fA1 ARG 32 HG3 0.03 0.09 0.04 -0.04 1.67 1.79 2b2fA1 ARG 32 HD2 0.01 -0.01 0.06 -0.04 3.22 3.24 2b2fA1 ARG 32 HD3 0.04 0.06 0.06 -0.04 3.22 3.33 2b2fA1 ARG 33 H 0.01 0.25 0.23 -0.55 8.46 8.40 2b2fA1 ARG 33 HA -0.51 0.09 0.44 -0.75 4.34 3.60 2b2fA1 ARG 33 HB2 0.05 0.10 0.21 -0.04 1.90 2.22 2b2fA1 ARG 33 HB3 0.01 0.02 0.19 -0.04 1.80 1.97 2b2fA1 ARG 33 HG2 0.08 -0.05 -0.10 -0.04 1.67 1.56 2b2fA1 ARG 33 HG3 0.30 -0.02 0.10 -0.04 1.67 2.00 2b2fA1 ARG 33 HD2 0.05 0.05 0.05 -0.04 3.22 3.33 2b2fA1 ARG 33 HD3 0.05 0.04 0.04 -0.04 3.22 3.31 2b2fA1 LYS 34 H -0.05 0.16 -0.19 -0.55 8.42 7.79 2b2fA1 LYS 34 HA -0.05 0.06 0.50 -0.75 4.32 4.09 2b2fA1 LYS 34 HB2 -0.05 0.16 0.26 -0.04 1.87 2.20 2b2fA1 LYS 34 HB3 -0.05 0.05 0.14 -0.04 1.79 1.88 2b2fA1 LYS 34 HG2 -0.04 -0.12 -0.02 -0.04 1.46 1.24 2b2fA1 LYS 34 HG3 -0.04 -0.09 -0.19 -0.04 1.46 1.10 2b2fA1 LYS 34 HD2 -0.10 0.10 -0.41 -0.04 1.69 1.24 2b2fA1 LYS 34 HD3 -0.11 -0.02 0.00 -0.04 1.68 1.52 2b2fA1 LYS 34 HE2 -0.04 -0.12 0.03 -0.04 2.99 2.82 2b2fA1 LYS 34 HE3 -0.04 0.04 0.04 -0.04 2.99 2.98 2b2fA1 ASN 35 H -0.08 0.64 -0.47 -0.55 8.53 8.08 2b2fA1 ASN 35 HA -0.02 -0.03 0.95 -0.75 4.76 4.92 2b2fA1 ASN 35 HB2 -0.02 0.14 0.06 -0.04 2.88 3.01 2b2fA1 ASN 35 HB3 -0.02 -0.07 0.21 -0.04 2.79 2.87 2b2fA1 ASN 35 HD21 -0.02 0.23 0.07 -0.04 7.03 7.27 2b2fA1 ASN 35 HD22 -0.01 -0.04 0.05 -0.04 7.74 7.70 2b2fA1 ALA 36 H -0.14 0.40 -0.00 -0.55 8.40 8.11 2b2fA1 ALA 36 HA -0.00 0.16 0.42 -0.75 4.34 4.16 2b2fA1 ALA 36 HB3 -0.23 0.02 0.09 -0.04 1.41 1.25 2b2fA1 VAL 37 H -0.11 0.12 -0.09 -0.55 8.24 7.62 2b2fA1 VAL 37 HA -0.08 0.10 0.34 -0.75 4.13 3.74 2b2fA1 VAL 37 HB -0.11 -0.07 -0.00 -0.04 2.12 1.89 2b2fA1 VAL 37 HG13 -0.29 0.03 -0.18 -0.04 0.97 0.49 2b2fA1 VAL 37 HG23 -0.15 0.01 -0.07 -0.04 0.95 0.70 2b2fA1 ASN 38 H -0.03 0.03 -0.37 -0.55 8.53 7.60 2b2fA1 ASN 38 HA -0.04 0.07 0.27 -0.75 4.76 4.30 2b2fA1 ASN 38 HB2 0.17 -0.04 -0.12 -0.04 2.88 2.84 2b2fA1 ASN 38 HB3 0.03 0.11 0.08 -0.04 2.79 2.97 2b2fA1 ASN 38 HD21 0.06 0.05 -0.05 -0.04 7.03 7.05 2b2fA1 ASN 38 HD22 0.59 0.00 -0.04 -0.04 7.74 8.25 2b2fA1 MET 39 H -0.00 0.50 -0.16 -0.55 8.47 8.25 2b2fA1 MET 39 HA -0.02 0.01 0.34 -0.75 4.52 4.10 2b2fA1 MET 39 HB2 0.02 0.08 0.13 -0.04 2.15 2.34 2b2fA1 MET 39 HB3 0.07 0.06 0.08 -0.04 2.03 2.20 2b2fA1 MET 39 HG2 0.09 0.04 -0.42 -0.04 2.63 2.31 2b2fA1 MET 39 HG3 0.13 0.01 -0.09 -0.04 2.56 2.57 2b2fA1 MET 39 HE3 -0.01 0.05 -0.09 -0.04 2.10 2.01 2b2fA1 ILE 40 H 0.02 0.42 -0.19 -0.55 8.25 7.95 2b2fA1 ILE 40 HA -0.02 0.01 0.48 -0.75 4.18 3.89 2b2fA1 ILE 40 HB 0.08 0.05 0.13 -0.04 1.89 2.11 2b2fA1 ILE 40 HG12 0.21 0.01 -0.22 -0.04 1.49 1.44 2b2fA1 ILE 40 HG13 0.12 0.20 0.05 -0.04 1.21 1.55 2b2fA1 ILE 40 HG23 0.22 -0.02 -0.11 -0.04 0.93 0.98 2b2fA1 ILE 40 HD13 0.30 -0.03 -0.08 -0.04 0.88 1.03 2b2fA1 ALA 41 H -0.04 0.83 0.07 -0.55 8.40 8.71 2b2fA1 ALA 41 HA 0.09 -0.03 0.37 -0.75 4.34 4.01 2b2fA1 ALA 41 HB3 -0.18 0.01 0.05 -0.04 1.41 1.25 2b2fA1 LEU 42 H -0.03 0.59 -0.35 -0.55 8.37 8.04 2b2fA1 LEU 42 HA -0.03 -0.03 0.38 -0.75 4.35 3.91 2b2fA1 LEU 42 HB2 -0.14 0.22 0.09 -0.04 1.64 1.77 2b2fA1 LEU 42 HB3 -0.42 -0.04 -0.03 -0.04 1.64 1.11 2b2fA1 LEU 42 HG -0.09 0.20 0.01 -0.04 1.64 1.72 2b2fA1 LEU 42 HD13 -0.28 -0.02 -0.08 -0.04 0.93 0.51 2b2fA1 LEU 42 HD23 -0.47 -0.03 -0.04 -0.04 0.89 0.31 2b2fA1 SER 43 H -0.05 0.45 -0.21 -0.55 8.46 8.10 2b2fA1 SER 43 HA -0.09 0.04 0.46 -0.75 4.49 4.15 2b2fA1 SER 43 HB2 -0.29 0.14 0.01 -0.04 3.95 3.77 2b2fA1 SER 43 HB3 -0.18 0.01 0.17 -0.04 3.93 3.90 2b2fA1 PHE 44 H 0.12 0.39 -0.10 -0.55 8.34 8.19 2b2fA1 PHE 44 HA -0.05 0.04 0.43 -0.75 4.62 4.27 2b2fA1 PHE 44 HB2 -0.04 0.09 0.15 -0.04 3.15 3.31 2b2fA1 PHE 44 HB3 -0.02 -0.02 -0.02 -0.04 3.06 2.96 2b2fA1 PHE 44 HD2 -0.05 0.04 -0.05 -0.04 7.28 7.18 2b2fA1 PHE 44 HE2 0.00 -0.00 -0.03 -0.04 7.38 7.30 2b2fA1 PHE 44 HZ 0.08 0.00 -0.02 -0.04 7.32 7.34 2b2fA1 ILE 45 H 0.15 0.69 -0.10 -0.55 8.25 8.43 2b2fA1 ILE 45 HA 0.12 -0.01 0.44 -0.75 4.18 3.97 2b2fA1 ILE 45 HB 0.21 0.11 0.12 -0.04 1.89 2.29 2b2fA1 ILE 45 HG12 0.12 -0.05 0.00 -0.04 1.49 1.52 2b2fA1 ILE 45 HG13 0.13 0.16 0.06 -0.04 1.21 1.51 2b2fA1 ILE 45 HG23 0.19 -0.02 -0.12 -0.04 0.93 0.94 2b2fA1 ILE 45 HD13 0.16 -0.02 -0.11 -0.04 0.88 0.86 2b2fA1 SER 46 H 0.12 0.62 -0.22 -0.55 8.46 8.43 2b2fA1 SER 46 HA 0.10 -0.04 0.31 -0.75 4.49 4.11 2b2fA1 SER 46 HB2 -0.01 0.18 0.17 -0.04 3.95 4.25 2b2fA1 SER 46 HB3 0.01 -0.04 -0.01 -0.04 3.93 3.85 2b2fA1 LEU 47 H -0.03 0.47 -0.30 -0.55 8.37 7.97 2b2fA1 LEU 47 HA -0.09 -0.02 0.42 -0.75 4.35 3.92 2b2fA1 LEU 47 HB2 -0.14 0.02 0.11 -0.04 1.64 1.59 2b2fA1 LEU 47 HB3 -0.03 0.14 0.19 -0.04 1.64 1.90 2b2fA1 LEU 47 HG -0.03 -0.02 -0.21 -0.04 1.64 1.34 2b2fA1 LEU 47 HD13 -0.11 -0.01 0.05 -0.04 0.93 0.81 2b2fA1 LEU 47 HD23 -0.06 0.00 0.00 -0.04 0.89 0.79 2b2fA1 ILE 48 H 0.05 0.60 -0.03 -0.55 8.25 8.32 2b2fA1 ILE 48 HA 0.03 -0.01 0.38 -0.75 4.18 3.82 2b2fA1 ILE 48 HB 0.06 0.06 0.20 -0.04 1.89 2.16 2b2fA1 ILE 48 HG12 0.06 -0.05 0.04 -0.04 1.49 1.49 2b2fA1 ILE 48 HG13 0.10 0.19 0.12 -0.04 1.21 1.58 2b2fA1 ILE 48 HG23 0.04 -0.02 -0.13 -0.04 0.93 0.78 2b2fA1 ILE 48 HD13 0.07 -0.02 -0.05 -0.04 0.88 0.83 2b2fA1 ILE 49 H 0.03 0.78 -0.02 -0.55 8.25 8.50 2b2fA1 ILE 49 HA 0.03 -0.01 0.42 -0.75 4.18 3.86 2b2fA1 ILE 49 HB -0.01 0.09 0.06 -0.04 1.89 1.99 2b2fA1 ILE 49 HG12 0.05 0.21 0.07 -0.04 1.49 1.77 2b2fA1 ILE 49 HG13 -0.00 -0.05 -0.02 -0.04 1.21 1.09 2b2fA1 ILE 49 HG23 -0.01 -0.02 -0.08 -0.04 0.93 0.78 2b2fA1 ILE 49 HD13 0.03 -0.02 -0.03 -0.04 0.88 0.82 2b2fA1 THR 50 H -0.02 0.59 -0.21 -0.55 8.28 8.10 2b2fA1 THR 50 HA 0.00 -0.04 0.38 -0.75 4.39 3.98 2b2fA1 THR 50 HB -0.10 0.13 0.18 -0.04 4.32 4.49 2b2fA1 THR 50 HG23 -0.22 -0.05 -0.11 -0.04 1.22 0.80 2b2fA1 VAL 51 H -0.01 0.64 -0.08 -0.55 8.24 8.24 2b2fA1 VAL 51 HA 0.04 -0.01 0.35 -0.75 4.13 3.75 2b2fA1 VAL 51 HB 0.02 0.12 0.15 -0.04 2.12 2.37 2b2fA1 VAL 51 HG13 0.03 -0.02 -0.11 -0.04 0.97 0.83 2b2fA1 VAL 51 HG23 -0.03 0.06 0.04 -0.04 0.95 0.98 2b2fA1 LEU 52 H 0.05 0.47 -0.17 -0.55 8.37 8.17 2b2fA1 LEU 52 HA 0.07 0.01 0.44 -0.75 4.35 4.12 2b2fA1 LEU 52 HB2 0.06 0.10 0.18 -0.04 1.64 1.93 2b2fA1 LEU 52 HB3 0.05 -0.05 0.04 -0.04 1.64 1.63 2b2fA1 LEU 52 HG 0.03 0.28 0.13 -0.04 1.64 2.04 2b2fA1 LEU 52 HD13 0.02 -0.02 -0.02 -0.04 0.93 0.87 2b2fA1 LEU 52 HD23 0.02 -0.02 -0.01 -0.04 0.89 0.84 2b2fA1 LEU 53 H 0.07 0.67 0.03 -0.55 8.37 8.59 2b2fA1 LEU 53 HA 0.05 0.01 0.46 -0.75 4.35 4.12 2b2fA1 LEU 53 HB2 0.01 0.10 0.13 -0.04 1.64 1.84 2b2fA1 LEU 53 HB3 -0.23 -0.06 0.04 -0.04 1.64 1.35 2b2fA1 LEU 53 HG 0.06 0.15 0.11 -0.04 1.64 1.92 2b2fA1 LEU 53 HD13 0.04 0.00 -0.01 -0.04 0.93 0.92 2b2fA1 LEU 53 HD23 0.21 -0.02 0.00 -0.04 0.89 1.05 2b2fA1 TRP 54 H 0.23 0.79 -0.13 -0.55 7.97 8.32 2b2fA1 TRP 54 HA -0.08 -0.14 0.42 -0.75 4.62 4.06 2b2fA1 TRP 54 HB2 -0.04 0.18 0.13 -0.04 3.23 3.45 2b2fA1 TRP 54 HB3 -0.02 0.10 0.12 -0.04 3.23 3.39 2b2fA1 TRP 54 HD1 -0.03 0.02 -0.15 -0.04 7.22 7.01 2b2fA1 TRP 54 HE1 -0.01 0.18 -0.00 -0.04 10.20 10.33 2b2fA1 TRP 54 HE3 -0.02 -0.03 -0.09 -0.04 7.59 7.42 2b2fA1 TRP 54 HZ2 0.41 0.02 -0.13 -0.04 7.44 7.71 2b2fA1 TRP 54 HZ3 0.21 0.01 -0.13 -0.04 7.13 7.18 2b2fA1 TRP 54 HH2 0.42 0.02 -0.12 -0.04 7.19 7.47 2b2fA1 ILE 55 H 0.21 0.57 -0.13 -0.55 8.25 8.36 2b2fA1 ILE 55 HA 0.07 0.01 0.38 -0.75 4.18 3.89 2b2fA1 ILE 55 HB 0.11 0.12 0.22 -0.04 1.89 2.30 2b2fA1 ILE 55 HG12 0.15 0.37 0.17 -0.04 1.49 2.14 2b2fA1 ILE 55 HG13 0.08 -0.06 0.01 -0.04 1.21 1.19 2b2fA1 ILE 55 HG23 0.08 -0.02 -0.16 -0.04 0.93 0.78 2b2fA1 ILE 55 HD13 0.10 -0.03 -0.04 -0.04 0.88 0.87 2b2fA1 PHE 56 H 0.21 0.66 0.01 -0.55 8.34 8.66 2b2fA1 PHE 56 HA 0.07 -0.02 0.48 -0.75 4.62 4.39 2b2fA1 PHE 56 HB2 0.06 0.10 0.17 -0.04 3.15 3.44 2b2fA1 PHE 56 HB3 0.01 -0.00 0.23 -0.04 3.06 3.26 2b2fA1 PHE 56 HD2 0.18 -0.02 0.08 -0.04 7.28 7.47 2b2fA1 PHE 56 HE2 0.08 -0.01 -0.01 -0.04 7.38 7.40 2b2fA1 PHE 56 HZ 0.03 -0.00 -0.01 -0.04 7.32 7.29 2b2fA1 TYR 57 H -0.28 0.45 0.05 -0.55 8.29 7.95 2b2fA1 TYR 57 HA -0.11 0.02 0.58 -0.75 4.56 4.31 2b2fA1 TYR 57 HB2 -0.26 -0.03 0.09 -0.04 3.06 2.81 2b2fA1 TYR 57 HB3 -0.51 0.09 -0.23 -0.04 2.98 2.29 2b2fA1 TYR 57 HD2 -0.75 -0.04 -0.23 -0.04 7.15 6.09 2b2fA1 TYR 57 HE2 -0.14 0.00 -0.05 -0.04 6.85 6.63 2b2fA1 GLY 58 H -0.62 0.71 0.30 -0.55 8.43 8.27 2b2fA1 GLY 58 HA2 -0.34 0.06 0.33 -0.51 4.01 3.55 2b2fA1 GLY 58 HA3 -0.26 0.00 0.22 -0.51 4.01 3.46 2b2fA1 TYR 59 H -0.75 0.73 0.02 -0.55 8.29 7.74 2b2fA1 TYR 59 HA -1.80 0.05 0.35 -0.75 4.56 2.41 2b2fA1 TYR 59 HB2 -1.46 -0.01 -0.00 -0.04 3.06 1.55 2b2fA1 TYR 59 HB3 -0.49 0.08 0.02 -0.04 2.98 2.55 2b2fA1 TYR 59 HD2 0.02 0.04 -0.10 -0.04 7.15 7.07 2b2fA1 TYR 59 HE2 -0.29 0.02 -0.13 -0.04 6.85 6.41 2b2fA1 SER 60 H -0.16 0.16 -0.36 -0.55 8.46 7.56 2b2fA1 SER 60 HA -0.04 -0.00 0.25 -0.75 4.49 3.94 2b2fA1 SER 60 HB2 0.08 -0.01 -0.33 -0.04 3.95 3.66 2b2fA1 SER 60 HB3 -0.04 0.19 0.05 -0.04 3.93 4.09 2b2fA1 VAL 61 H -0.16 0.60 -0.10 -0.55 8.24 8.03 2b2fA1 VAL 61 HA -0.16 0.22 0.33 -0.75 4.13 3.77 2b2fA1 VAL 61 HB -0.10 0.04 0.08 -0.04 2.12 2.10 2b2fA1 VAL 61 HG13 -0.13 -0.00 -0.06 -0.04 0.97 0.74 2b2fA1 VAL 61 HG23 -0.01 0.01 -0.02 -0.04 0.95 0.89 2b2fA1 SER 62 H -0.32 0.28 -0.51 -0.55 8.46 7.36 2b2fA1 SER 62 HA -0.26 0.18 0.66 -0.75 4.49 4.32 2b2fA1 SER 62 HB2 -0.31 0.06 0.12 -0.04 3.95 3.78 2b2fA1 SER 62 HB3 -0.62 -0.11 -0.05 -0.04 3.93 3.11 2b2fA1 PHE 63 H -0.23 0.63 0.09 -0.55 8.34 8.28 2b2fA1 PHE 63 HA 0.14 0.27 1.00 -0.75 4.62 5.28 2b2fA1 PHE 63 HB2 -0.53 -0.01 0.01 -0.04 3.15 2.58 2b2fA1 PHE 63 HB3 0.06 -0.03 0.14 -0.04 3.06 3.19 2b2fA1 PHE 63 HD2 0.04 0.08 -0.05 -0.04 7.28 7.30 2b2fA1 PHE 63 HE2 0.55 0.01 -0.18 -0.04 7.38 7.72 2b2fA1 PHE 63 HZ 0.47 -0.05 -0.10 -0.04 7.32 7.60 2b2fA1 GLY 64 H -0.04 0.54 -0.08 -0.55 8.43 8.30 2b2fA1 GLY 64 HA2 -0.02 0.05 0.49 -0.51 4.01 4.02 2b2fA1 GLY 64 HA3 -0.14 0.00 0.32 -0.51 4.01 3.69 2b2fA1 ASN 65 H -0.20 -0.02 0.11 -0.55 8.53 7.88 2b2fA1 ASN 65 HA 0.00 0.07 0.41 -0.75 4.76 4.49 2b2fA1 ASN 65 HB2 -0.09 -0.16 0.15 -0.04 2.88 2.73 2b2fA1 ASN 65 HB3 -0.04 0.12 0.02 -0.04 2.79 2.85 2b2fA1 ASN 65 HD21 -0.10 0.05 0.04 -0.04 7.03 6.97 2b2fA1 ASN 65 HD22 -0.10 -0.05 0.05 -0.04 7.74 7.60 2b2fA1 ASP 66 H 0.08 0.08 0.20 -0.55 8.40 8.21 2b2fA1 ASP 66 HA 0.12 0.29 0.50 -0.75 4.63 4.78 2b2fA1 ASP 66 HB2 0.23 0.23 0.05 -0.04 2.71 3.19 2b2fA1 ASP 66 HB3 0.11 -0.08 0.11 -0.04 2.70 2.81 2b2fA1 ILE 67 H 0.02 0.62 0.26 -0.55 8.25 8.60 2b2fA1 ILE 67 HA 0.01 0.11 0.87 -0.75 4.18 4.42 2b2fA1 ILE 67 HB -0.02 -0.02 0.04 -0.04 1.89 1.84 2b2fA1 ILE 67 HG12 -0.04 0.05 -0.09 -0.04 1.49 1.37 2b2fA1 ILE 67 HG13 -0.01 -0.11 0.14 -0.04 1.21 1.18 2b2fA1 ILE 67 HG23 -0.07 0.10 -0.32 -0.04 0.93 0.60 2b2fA1 ILE 67 HD13 -0.02 -0.01 -0.15 -0.04 0.88 0.67 2b2fA1 SER 68 H 0.02 0.22 0.08 -0.55 8.46 8.23 2b2fA1 SER 68 HA -0.01 0.06 0.32 -0.75 4.49 4.11 2b2fA1 SER 68 HB2 -0.02 0.16 -0.04 -0.04 3.95 4.01 2b2fA1 SER 68 HB3 -0.06 0.02 0.19 -0.04 3.93 4.04 2b2fA1 GLY 69 H 0.11 0.03 -0.60 -0.55 8.43 7.43 2b2fA1 GLY 69 HA2 0.22 0.12 0.20 -0.51 4.01 4.04 2b2fA1 GLY 69 HA3 0.13 0.06 0.33 -0.51 4.01 4.02 2b2fA1 ILE 70 H 0.12 0.33 -0.37 -0.55 8.25 7.79 2b2fA1 ILE 70 HA 0.38 0.15 1.09 -0.75 4.18 5.05 2b2fA1 ILE 70 HB 0.27 -0.03 0.10 -0.04 1.89 2.18 2b2fA1 ILE 70 HG12 0.13 0.06 -0.28 -0.04 1.49 1.36 2b2fA1 ILE 70 HG13 0.08 -0.05 -0.05 -0.04 1.21 1.15 2b2fA1 ILE 70 HG23 -0.28 0.05 -0.07 -0.04 0.93 0.59 2b2fA1 ILE 70 HD13 0.01 0.07 0.06 -0.04 0.88 0.98 2b2fA1 ILE 71 H 0.05 0.18 0.15 -0.55 8.25 8.08 2b2fA1 ILE 71 HA -0.26 0.21 0.62 -0.75 4.18 3.98 2b2fA1 ILE 71 HB 0.04 -0.02 -0.31 -0.04 1.89 1.56 2b2fA1 ILE 71 HG12 -0.08 -0.08 0.03 -0.04 1.49 1.32 2b2fA1 ILE 71 HG13 -0.19 0.08 0.23 -0.04 1.21 1.29 2b2fA1 ILE 71 HG23 -0.07 0.00 -0.19 -0.04 0.93 0.63 2b2fA1 ILE 71 HD13 -0.11 -0.00 0.02 -0.04 0.88 0.74 2b2fA1 GLY 72 H -0.43 0.57 0.24 -0.55 8.43 8.26 2b2fA1 GLY 72 HA2 -0.32 0.23 0.57 -0.51 4.01 3.99 2b2fA1 GLY 72 HA3 -0.28 0.05 0.07 -0.51 4.01 3.34 2b2fA1 GLY 73 H -0.12 0.33 -0.03 -0.55 8.43 8.07 2b2fA1 GLY 73 HA2 -0.10 0.13 0.44 -0.51 4.01 3.97 2b2fA1 GLY 73 HA3 -0.11 -0.08 0.35 -0.51 4.01 3.67 2b2fA1 LEU 74 H -0.09 0.16 0.10 -0.55 8.37 7.99 2b2fA1 LEU 74 HA -0.07 0.22 0.79 -0.75 4.35 4.53 2b2fA1 LEU 74 HB2 -0.07 0.01 0.10 -0.04 1.64 1.65 2b2fA1 LEU 74 HB3 -0.06 0.01 0.22 -0.04 1.64 1.77 2b2fA1 LEU 74 HG -0.10 -0.01 -0.08 -0.04 1.64 1.41 2b2fA1 LEU 74 HD13 -0.11 0.01 0.00 -0.04 0.93 0.79 2b2fA1 LEU 74 HD23 -0.12 0.04 -0.06 -0.04 0.89 0.70 2b2fA1 ASN 75 H -0.18 0.08 -0.27 -0.55 8.53 7.61 2b2fA1 ASN 75 HA -0.09 0.11 0.37 -0.75 4.76 4.39 2b2fA1 ASN 75 HB2 -0.27 0.09 0.09 -0.04 2.88 2.74 2b2fA1 ASN 75 HB3 -0.18 -0.02 0.10 -0.04 2.79 2.64 2b2fA1 ASN 75 HD21 -1.07 0.04 -0.01 -0.04 7.03 5.94 2b2fA1 ASN 75 HD22 -0.91 0.09 -0.09 -0.04 7.74 6.79 2b2fA1 TYR 76 H -0.06 0.01 -0.47 -0.55 8.29 7.21 2b2fA1 TYR 76 HA 0.07 0.59 0.83 -0.75 4.56 5.29 2b2fA1 TYR 76 HB2 0.01 -0.10 -0.10 -0.04 3.06 2.83 2b2fA1 TYR 76 HB3 0.26 -0.05 -0.02 -0.04 2.98 3.13 2b2fA1 TYR 76 HD2 -0.03 0.27 -0.22 -0.04 7.15 7.13 2b2fA1 TYR 76 HE2 0.05 0.17 -0.09 -0.04 6.85 6.94 2b2fA1 ALA 77 H 0.07 0.39 -0.17 -0.55 8.40 8.14 2b2fA1 ALA 77 HA 0.10 0.07 0.51 -0.75 4.34 4.26 2b2fA1 ALA 77 HB3 0.07 0.01 0.20 -0.04 1.41 1.65 2b2fA1 LEU 78 H 0.19 0.51 0.37 -0.55 8.37 8.89 2b2fA1 LEU 78 HA 0.13 0.02 0.29 -0.75 4.35 4.04 2b2fA1 LEU 78 HB2 0.13 0.01 -0.33 -0.04 1.64 1.42 2b2fA1 LEU 78 HB3 0.09 -0.03 0.24 -0.04 1.64 1.89 2b2fA1 LEU 78 HG 0.07 -0.04 0.03 -0.04 1.64 1.66 2b2fA1 LEU 78 HD13 0.06 -0.00 0.00 -0.04 0.93 0.95 2b2fA1 LEU 78 HD23 0.22 0.01 0.04 -0.04 0.89 1.12 2b2fA1 LEU 79 H 0.12 0.38 -0.25 -0.55 8.37 8.08 2b2fA1 LEU 79 HA 0.09 0.05 0.24 -0.75 4.35 3.98 2b2fA1 LEU 79 HB2 0.03 0.16 -0.01 -0.04 1.64 1.78 2b2fA1 LEU 79 HB3 -0.02 -0.08 0.16 -0.04 1.64 1.65 2b2fA1 LEU 79 HG 0.04 -0.03 -0.28 -0.04 1.64 1.33 2b2fA1 LEU 79 HD13 -0.01 -0.02 -0.06 -0.04 0.93 0.80 2b2fA1 LEU 79 HD23 -0.08 0.01 -0.01 -0.04 0.89 0.77 2b2fA1 SER 80 H 0.13 0.61 -0.68 -0.55 8.46 7.97 2b2fA1 SER 80 HA 0.08 -0.06 0.41 -0.75 4.49 4.17 2b2fA1 SER 80 HB2 0.08 0.02 0.05 -0.04 3.95 4.06 2b2fA1 SER 80 HB3 0.11 0.06 0.03 -0.04 3.93 4.09 2b2fA1 GLY 81 H 0.08 0.08 0.21 -0.55 8.43 8.26 2b2fA1 GLY 81 HA2 0.09 -0.07 0.31 -0.51 4.01 3.84 2b2fA1 GLY 81 HA3 0.20 0.12 0.44 -0.51 4.01 4.27 2b2fA1 VAL 82 H 0.04 0.62 -0.19 -0.55 8.24 8.16 2b2fA1 VAL 82 HA -0.12 0.09 0.75 -0.75 4.13 4.09 2b2fA1 VAL 82 HB -0.09 0.06 0.10 -0.04 2.12 2.15 2b2fA1 VAL 82 HG13 -0.24 -0.04 -0.28 -0.04 0.97 0.37 2b2fA1 VAL 82 HG23 -0.17 0.03 -0.26 -0.04 0.95 0.51 2b2fA1 LYS 83 H -0.04 0.24 0.13 -0.55 8.42 8.20 2b2fA1 LYS 83 HA -0.03 0.21 0.78 -0.75 4.32 4.54 2b2fA1 LYS 83 HB2 -0.00 0.02 -0.07 -0.04 1.87 1.78 2b2fA1 LYS 83 HB3 -0.01 -0.08 0.08 -0.04 1.79 1.75 2b2fA1 LYS 83 HG2 0.00 0.07 -0.04 -0.04 1.46 1.45 2b2fA1 LYS 83 HG3 0.01 -0.03 -0.79 -0.04 1.46 0.60 2b2fA1 LYS 83 HD2 0.02 0.01 -0.11 -0.04 1.69 1.57 2b2fA1 LYS 83 HD3 0.01 -0.03 -0.04 -0.04 1.68 1.58 2b2fA1 LYS 83 HE2 0.01 0.02 -0.02 -0.04 2.99 2.96 2b2fA1 LYS 83 HE3 0.03 -0.02 -0.06 -0.04 2.99 2.89 2b2fA1 GLY 84 H -0.02 0.19 0.15 -0.55 8.43 8.21 2b2fA1 GLY 84 HA2 -0.02 0.10 0.37 -0.51 4.01 3.95 2b2fA1 GLY 84 HA3 -0.02 0.06 0.44 -0.51 4.01 3.99 2b2fA1 GLU 85 H -0.02 0.20 0.24 -0.55 8.60 8.47 2b2fA1 GLU 85 HA -0.02 0.03 0.43 -0.75 4.29 3.97 2b2fA1 GLU 85 HB2 -0.03 0.05 0.14 -0.04 2.09 2.20 2b2fA1 GLU 85 HB3 -0.03 0.07 0.10 -0.04 1.99 2.08 2b2fA1 GLU 85 HG2 -0.02 -0.00 0.08 -0.04 2.34 2.36 2b2fA1 GLU 85 HG3 -0.02 -0.06 0.14 -0.04 2.34 2.37 2b2fA1 ASP 86 H -0.03 0.37 -0.17 -0.55 8.40 8.02 2b2fA1 ASP 86 HA -0.01 0.09 0.45 -0.75 4.63 4.41 2b2fA1 ASP 86 HB2 -0.06 0.13 0.16 -0.04 2.71 2.90 2b2fA1 ASP 86 HB3 -0.08 0.02 0.00 -0.04 2.70 2.60 2b2fA1 LEU 87 H -0.05 0.40 -0.58 -0.55 8.37 7.60 2b2fA1 LEU 87 HA -0.13 0.08 0.31 -0.75 4.35 3.86 2b2fA1 LEU 87 HB2 -0.04 0.26 -0.00 -0.04 1.64 1.82 2b2fA1 LEU 87 HB3 -0.05 -0.02 -0.13 -0.04 1.64 1.40 2b2fA1 LEU 87 HG -0.06 -0.01 -0.36 -0.04 1.64 1.17 2b2fA1 LEU 87 HD13 -0.03 -0.02 0.01 -0.04 0.93 0.86 2b2fA1 LEU 87 HD23 -0.08 0.02 -0.04 -0.04 0.89 0.75 2b2fA1 LEU 88 H -0.02 0.24 -0.23 -0.55 8.37 7.81 2b2fA1 LEU 88 HA -0.04 0.04 0.39 -0.75 4.35 3.99 2b2fA1 LEU 88 HB2 -0.03 -0.04 0.06 -0.04 1.64 1.59 2b2fA1 LEU 88 HB3 -0.02 0.15 0.13 -0.04 1.64 1.86 2b2fA1 LEU 88 HG -0.09 0.04 -0.18 -0.04 1.64 1.37 2b2fA1 LEU 88 HD13 -0.07 -0.01 -0.06 -0.04 0.93 0.74 2b2fA1 LEU 88 HD23 -0.06 -0.00 -0.01 -0.04 0.89 0.77 2b2fA1 PHE 89 H 0.10 0.49 -0.17 -0.55 8.34 8.20 2b2fA1 PHE 89 HA -0.06 0.03 0.39 -0.75 4.62 4.23 2b2fA1 PHE 89 HB2 -0.11 0.02 0.11 -0.04 3.15 3.13 2b2fA1 PHE 89 HB3 -0.11 0.10 0.14 -0.04 3.06 3.14 2b2fA1 PHE 89 HD2 -0.14 0.00 -0.06 -0.04 7.28 7.05 2b2fA1 PHE 89 HE2 -1.04 0.04 -0.04 -0.04 7.38 6.30 2b2fA1 PHE 89 HZ -0.47 0.06 -0.04 -0.04 7.32 6.83 2b2fA1 MET 90 H -0.05 0.55 -0.23 -0.55 8.47 8.19 2b2fA1 MET 90 HA -0.09 0.02 0.35 -0.75 4.52 4.05 2b2fA1 MET 90 HB2 -0.87 0.08 0.09 -0.04 2.15 1.41 2b2fA1 MET 90 HB3 -0.27 0.12 0.15 -0.04 2.03 1.99 2b2fA1 MET 90 HG2 -0.75 -0.06 -0.04 -0.04 2.63 1.73 2b2fA1 MET 90 HG3 -0.83 0.01 -0.06 -0.04 2.56 1.64 2b2fA1 MET 90 HE3 -0.08 0.02 -0.03 -0.04 2.10 1.97 2b2fA1 MET 91 H -0.07 0.58 -0.19 -0.55 8.47 8.24 2b2fA1 MET 91 HA -0.03 -0.02 0.36 -0.75 4.52 4.08 2b2fA1 MET 91 HB2 -0.04 0.06 0.10 -0.04 2.15 2.24 2b2fA1 MET 91 HB3 -0.03 0.10 0.14 -0.04 2.03 2.20 2b2fA1 MET 91 HG2 -0.03 -0.03 -0.03 -0.04 2.63 2.50 2b2fA1 MET 91 HG3 -0.04 -0.01 -0.14 -0.04 2.56 2.33 2b2fA1 MET 91 HE3 0.00 0.00 -0.03 -0.04 2.10 2.03 2b2fA1 TYR 92 H -0.01 0.70 -0.09 -0.55 8.29 8.35 2b2fA1 TYR 92 HA -0.14 -0.03 0.42 -0.75 4.56 4.06 2b2fA1 TYR 92 HB2 -0.17 0.02 0.09 -0.04 3.06 2.96 2b2fA1 TYR 92 HB3 -0.31 0.08 0.16 -0.04 2.98 2.87 2b2fA1 TYR 92 HD2 -0.26 -0.03 -0.07 -0.04 7.15 6.75 2b2fA1 TYR 92 HE2 -0.26 0.03 -0.20 -0.04 6.85 6.38 2b2fA1 GLN 93 H -0.34 0.76 -0.11 -0.55 8.47 8.23 2b2fA1 GLN 93 HA -0.59 -0.01 0.40 -0.75 4.36 3.41 2b2fA1 GLN 93 HB2 -0.09 0.15 0.12 -0.04 2.15 2.30 2b2fA1 GLN 93 HB3 0.23 -0.09 -0.04 -0.04 2.02 2.08 2b2fA1 GLN 93 HG2 -1.42 0.08 0.04 -0.04 2.40 1.06 2b2fA1 GLN 93 HG3 -1.32 -0.01 -0.05 -0.04 2.39 0.97 2b2fA1 GLN 93 HE21 0.32 -0.04 -0.04 -0.04 6.97 7.17 2b2fA1 GLN 93 HE22 0.49 -0.01 -0.03 -0.04 7.69 8.09 2b2fA1 MET 94 H -0.34 0.55 -0.29 -0.55 8.47 7.85 2b2fA1 MET 94 HA -2.24 -0.03 0.37 -0.75 4.52 1.86 2b2fA1 MET 94 HB2 -0.47 0.06 0.08 -0.04 2.15 1.78 2b2fA1 MET 94 HB3 -0.31 0.25 0.16 -0.04 2.03 2.09 2b2fA1 MET 94 HG2 -0.36 -0.06 -0.26 -0.04 2.63 1.91 2b2fA1 MET 94 HG3 -0.42 -0.04 -0.04 -0.04 2.56 2.02 2b2fA1 MET 94 HE3 0.24 0.01 -0.03 -0.04 2.10 2.28 2b2fA1 MET 95 H -0.29 0.48 -0.27 -0.55 8.47 7.84 2b2fA1 MET 95 HA -0.26 -0.03 0.36 -0.75 4.52 3.84 2b2fA1 MET 95 HB2 -0.19 0.21 0.08 -0.04 2.15 2.22 2b2fA1 MET 95 HB3 -0.21 -0.08 -0.15 -0.04 2.03 1.55 2b2fA1 MET 95 HG2 -0.14 0.23 0.09 -0.04 2.63 2.77 2b2fA1 MET 95 HG3 -0.11 0.10 0.07 -0.04 2.56 2.58 2b2fA1 MET 95 HE3 -0.08 0.00 -0.02 -0.04 2.10 1.96 2b2fA1 PHE 96 H -0.04 0.37 -0.32 -0.55 8.34 7.80 2b2fA1 PHE 96 HA -0.13 0.02 0.40 -0.75 4.62 4.16 2b2fA1 PHE 96 HB2 -0.19 0.21 0.14 -0.04 3.15 3.26 2b2fA1 PHE 96 HB3 0.05 -0.07 -0.06 -0.04 3.06 2.94 2b2fA1 PHE 96 HD2 -0.43 0.08 0.01 -0.04 7.28 6.90 2b2fA1 PHE 96 HE2 -1.60 0.09 -0.03 -0.04 7.38 5.80 2b2fA1 PHE 96 HZ -0.81 0.19 0.07 -0.04 7.32 6.73 2b2fA1 ALA 97 H -0.43 0.47 -0.21 -0.55 8.40 7.69 2b2fA1 ALA 97 HA -1.06 0.01 0.38 -0.75 4.34 2.91 2b2fA1 ALA 97 HB3 -0.74 0.06 0.09 -0.04 1.41 0.77 2b2fA1 ALA 98 H -0.34 0.42 -0.16 -0.55 8.40 7.78 2b2fA1 ALA 98 HA -0.18 0.02 0.34 -0.75 4.34 3.77 2b2fA1 ALA 98 HB3 -0.20 0.03 0.06 -0.04 1.41 1.26 2b2fA1 VAL 99 H -0.22 0.58 -0.18 -0.55 8.24 7.87 2b2fA1 VAL 99 HA -0.22 -0.02 0.37 -0.75 4.13 3.51 2b2fA1 VAL 99 HB -0.21 0.12 0.10 -0.04 2.12 2.09 2b2fA1 VAL 99 HG13 -0.40 -0.02 -0.16 -0.04 0.97 0.35 2b2fA1 VAL 99 HG23 -0.29 0.03 -0.01 -0.04 0.95 0.64 2b2fA1 THR 100 H -0.14 0.53 -0.26 -0.55 8.28 7.86 2b2fA1 THR 100 HA -0.08 -0.01 0.39 -0.75 4.39 3.94 2b2fA1 THR 100 HB -0.03 0.14 0.18 -0.04 4.32 4.57 2b2fA1 THR 100 HG23 0.38 0.02 0.01 -0.04 1.22 1.58 2b2fA1 ILE 101 H -0.12 0.53 -0.11 -0.55 8.25 8.00 2b2fA1 ILE 101 HA -0.20 -0.01 0.38 -0.75 4.18 3.59 2b2fA1 ILE 101 HB -0.06 0.14 0.12 -0.04 1.89 2.05 2b2fA1 ILE 101 HG12 -0.07 0.27 0.09 -0.04 1.49 1.73 2b2fA1 ILE 101 HG13 -0.04 -0.03 -0.01 -0.04 1.21 1.09 2b2fA1 ILE 101 HG23 0.03 -0.02 -0.08 -0.04 0.93 0.82 2b2fA1 ILE 101 HD13 0.08 -0.03 -0.02 -0.04 0.88 0.86 2b2fA1 ALA 102 H -0.10 0.51 -0.21 -0.55 8.40 8.05 2b2fA1 ALA 102 HA -0.02 -0.01 0.38 -0.75 4.34 3.95 2b2fA1 ALA 102 HB3 -0.15 0.02 0.13 -0.04 1.41 1.37 2b2fA1 ILE 103 H -0.13 0.64 -0.10 -0.55 8.25 8.10 2b2fA1 ILE 103 HA 0.01 -0.00 0.33 -0.75 4.18 3.76 2b2fA1 ILE 103 HB -0.16 0.18 0.14 -0.04 1.89 2.01 2b2fA1 ILE 103 HG12 -0.36 -0.07 0.01 -0.04 1.49 1.02 2b2fA1 ILE 103 HG13 -0.25 0.28 0.08 -0.04 1.21 1.28 2b2fA1 ILE 103 HG23 -0.28 -0.04 -0.16 -0.04 0.93 0.41 2b2fA1 ILE 103 HD13 -0.39 -0.02 -0.10 -0.04 0.88 0.33 2b2fA1 LEU 104 H -0.10 0.48 -0.34 -0.55 8.37 7.86 2b2fA1 LEU 104 HA -0.07 -0.02 0.40 -0.75 4.35 3.90 2b2fA1 LEU 104 HB2 -0.38 0.04 0.11 -0.04 1.64 1.37 2b2fA1 LEU 104 HB3 -0.19 0.34 0.11 -0.04 1.64 1.86 2b2fA1 LEU 104 HG -0.20 -0.03 -0.17 -0.04 1.64 1.20 2b2fA1 LEU 104 HD13 -0.22 -0.02 -0.07 -0.04 0.93 0.58 2b2fA1 LEU 104 HD23 -1.09 -0.00 -0.07 -0.04 0.89 -0.31 2b2fA1 THR 105 H 0.01 0.52 -0.40 -0.55 8.28 7.86 2b2fA1 THR 105 HA -0.14 -0.01 0.25 -0.75 4.39 3.74 2b2fA1 THR 105 HB -0.21 -0.11 0.04 -0.04 4.32 4.00 2b2fA1 THR 105 HG23 -0.27 0.03 -0.00 -0.04 1.22 0.94 2b2fA1 SER 106 H -0.08 0.44 -0.76 -0.55 8.46 7.53 2b2fA1 SER 106 HA -0.63 0.04 0.35 -0.75 4.49 3.49 2b2fA1 SER 106 HB2 -0.33 0.16 0.05 -0.04 3.95 3.79 2b2fA1 SER 106 HB3 -0.06 0.09 0.09 -0.04 3.93 4.01 2b2fA1 ALA 107 H -0.09 0.51 -0.09 -0.55 8.40 8.18 2b2fA1 ALA 107 HA -0.09 -0.02 0.46 -0.75 4.34 3.94 2b2fA1 ALA 107 HB3 -0.04 -0.01 0.14 -0.04 1.41 1.46 2b2fA1 ILE 108 H -0.12 0.33 -0.46 -0.55 8.25 7.45 2b2fA1 ILE 108 HA -0.08 0.33 0.88 -0.75 4.18 4.55 2b2fA1 ILE 108 HB -0.06 -0.11 0.06 -0.04 1.89 1.74 2b2fA1 ILE 108 HG12 -0.13 0.00 -0.04 -0.04 1.49 1.29 2b2fA1 ILE 108 HG13 -0.17 0.04 -0.22 -0.04 1.21 0.82 2b2fA1 ILE 108 HG23 -0.01 0.01 -0.22 -0.04 0.93 0.66 2b2fA1 ILE 108 HD13 -0.26 -0.02 -0.08 -0.04 0.88 0.48 2b2fA1 ALA 109 H -0.14 0.29 -0.19 -0.55 8.40 7.82 2b2fA1 ALA 109 HA -0.10 -0.07 0.36 -0.75 4.34 3.78 2b2fA1 ALA 109 HB3 -0.13 0.01 0.07 -0.04 1.41 1.33 2b2fA1 GLU 110 H -0.05 0.05 0.20 -0.55 8.60 8.25 2b2fA1 GLU 110 HA -0.03 -0.12 0.41 -0.75 4.29 3.80 2b2fA1 GLU 110 HB2 -0.03 0.29 -0.07 -0.04 2.09 2.24 2b2fA1 GLU 110 HB3 -0.01 -0.00 0.23 -0.04 1.99 2.17 2b2fA1 GLU 110 HG2 -0.02 -0.09 0.07 -0.04 2.34 2.26 2b2fA1 GLU 110 HG3 -0.03 -0.02 -0.21 -0.04 2.34 2.04 2b2fA1 ARG 111 H -0.05 0.38 -0.22 -0.55 8.46 8.02 2b2fA1 ARG 111 HA -0.02 0.01 0.47 -0.75 4.34 4.05 2b2fA1 ARG 111 HB2 -0.01 -0.06 0.21 -0.04 1.90 1.99 2b2fA1 ARG 111 HB3 -0.02 0.07 -0.29 -0.04 1.80 1.52 2b2fA1 ARG 111 HG2 -0.04 -0.04 -0.17 -0.04 1.67 1.38 2b2fA1 ARG 111 HG3 -0.03 0.11 -0.08 -0.04 1.67 1.62 2b2fA1 ARG 111 HD2 -0.06 -0.09 -0.17 -0.04 3.22 2.86 2b2fA1 ARG 111 HD3 -0.06 0.06 -0.38 -0.04 3.22 2.80 2b2fA1 ALA 112 H -0.03 0.07 0.13 -0.55 8.40 8.02 2b2fA1 ALA 112 HA -0.01 0.32 1.12 -0.75 4.34 5.02 2b2fA1 ALA 112 HB3 -0.01 0.01 0.00 -0.04 1.41 1.37 2b2fA1 LYS 113 H 0.01 0.76 0.27 -0.55 8.42 8.91 2b2fA1 LYS 113 HA -0.01 0.06 0.57 -0.75 4.32 4.18 2b2fA1 LYS 113 HB2 0.02 -0.04 0.13 -0.04 1.87 1.94 2b2fA1 LYS 113 HB3 0.01 -0.10 0.05 -0.04 1.79 1.70 2b2fA1 LYS 113 HG2 -0.00 -0.11 -0.13 -0.04 1.46 1.18 2b2fA1 LYS 113 HG3 0.00 0.20 -0.36 -0.04 1.46 1.26 2b2fA1 LYS 113 HD2 0.01 0.02 -0.02 -0.04 1.69 1.66 2b2fA1 LYS 113 HD3 0.00 -0.11 -0.01 -0.04 1.68 1.52 2b2fA1 LYS 113 HE2 0.00 -0.12 -0.06 -0.04 2.99 2.77 2b2fA1 LYS 113 HE3 0.00 0.09 -0.26 -0.04 2.99 2.78 2b2fA1 VAL 114 H -0.03 0.22 0.19 -0.55 8.24 8.07 2b2fA1 VAL 114 HA 0.10 0.08 0.33 -0.75 4.13 3.89 2b2fA1 VAL 114 HB -0.02 0.02 0.16 -0.04 2.12 2.24 2b2fA1 VAL 114 HG13 0.12 0.01 -0.12 -0.04 0.97 0.94 2b2fA1 VAL 114 HG23 -0.07 0.03 0.04 -0.04 0.95 0.91 2b2fA1 SER 115 H 0.03 0.13 -0.09 -0.55 8.46 7.98 2b2fA1 SER 115 HA 0.05 0.06 0.35 -0.75 4.49 4.19 2b2fA1 SER 115 HB2 0.02 0.05 0.01 -0.04 3.95 4.00 2b2fA1 SER 115 HB3 0.02 0.03 0.09 -0.04 3.93 4.03 2b2fA1 SER 116 H 0.05 0.13 -0.39 -0.55 8.46 7.71 2b2fA1 SER 116 HA 0.03 0.05 0.41 -0.75 4.49 4.22 2b2fA1 SER 116 HB2 0.05 0.11 0.16 -0.04 3.95 4.23 2b2fA1 SER 116 HB3 0.04 -0.06 -0.04 -0.04 3.93 3.83 2b2fA1 PHE 117 H 0.19 0.49 -0.13 -0.55 8.34 8.33 2b2fA1 PHE 117 HA -0.01 0.03 0.38 -0.75 4.62 4.26 2b2fA1 PHE 117 HB2 -0.02 0.00 0.02 -0.04 3.15 3.11 2b2fA1 PHE 117 HB3 -0.00 0.14 0.14 -0.04 3.06 3.30 2b2fA1 PHE 117 HD2 -0.02 0.01 -0.08 -0.04 7.28 7.15 2b2fA1 PHE 117 HE2 -0.06 0.02 -0.10 -0.04 7.38 7.20 2b2fA1 PHE 117 HZ -0.06 0.03 -0.12 -0.04 7.32 7.13 2b2fA1 ILE 118 H 0.07 0.54 -0.18 -0.55 8.25 8.13 2b2fA1 ILE 118 HA -0.35 0.00 0.36 -0.75 4.18 3.44 2b2fA1 ILE 118 HB 0.01 0.17 0.14 -0.04 1.89 2.17 2b2fA1 ILE 118 HG12 0.06 -0.05 -0.02 -0.04 1.49 1.44 2b2fA1 ILE 118 HG13 0.16 0.21 0.03 -0.04 1.21 1.57 2b2fA1 ILE 118 HG23 -0.01 -0.01 -0.12 -0.04 0.93 0.74 2b2fA1 ILE 118 HD13 0.07 -0.02 -0.06 -0.04 0.88 0.83 2b2fA1 LEU 119 H -0.02 0.50 -0.15 -0.55 8.37 8.15 2b2fA1 LEU 119 HA 0.01 0.00 0.37 -0.75 4.35 3.97 2b2fA1 LEU 119 HB2 0.02 0.03 0.11 -0.04 1.64 1.75 2b2fA1 LEU 119 HB3 0.01 0.11 0.18 -0.04 1.64 1.90 2b2fA1 LEU 119 HG 0.03 -0.01 -0.23 -0.04 1.64 1.39 2b2fA1 LEU 119 HD13 0.04 -0.02 0.02 -0.04 0.93 0.93 2b2fA1 LEU 119 HD23 0.02 0.00 -0.03 -0.04 0.89 0.85 2b2fA1 LEU 120 H -0.03 0.73 -0.10 -0.55 8.37 8.42 2b2fA1 LEU 120 HA 0.05 -0.00 0.36 -0.75 4.35 4.01 2b2fA1 LEU 120 HB2 0.02 0.04 0.07 -0.04 1.64 1.73 2b2fA1 LEU 120 HB3 -0.04 0.08 0.13 -0.04 1.64 1.77 2b2fA1 LEU 120 HG 0.00 -0.04 -0.23 -0.04 1.64 1.33 2b2fA1 LEU 120 HD13 0.09 -0.00 -0.11 -0.04 0.93 0.86 2b2fA1 LEU 120 HD23 0.02 0.00 -0.07 -0.04 0.89 0.80 2b2fA1 SER 121 H -0.31 0.83 -0.14 -0.55 8.46 8.30 2b2fA1 SER 121 HA -0.09 -0.03 0.38 -0.75 4.49 3.99 2b2fA1 SER 121 HB2 -0.45 0.10 0.14 -0.04 3.95 3.69 2b2fA1 SER 121 HB3 -0.29 -0.09 -0.02 -0.04 3.93 3.49 2b2fA1 ALA 122 H -0.06 0.69 -0.14 -0.55 8.40 8.34 2b2fA1 ALA 122 HA 0.04 -0.03 0.40 -0.75 4.34 4.00 2b2fA1 ALA 122 HB3 0.05 0.03 0.10 -0.04 1.41 1.54 2b2fA1 LEU 123 H 0.09 0.57 -0.14 -0.55 8.37 8.34 2b2fA1 LEU 123 HA 0.16 0.02 0.43 -0.75 4.35 4.20 2b2fA1 LEU 123 HB2 0.16 0.12 0.18 -0.04 1.64 2.06 2b2fA1 LEU 123 HB3 0.27 -0.06 0.00 -0.04 1.64 1.82 2b2fA1 LEU 123 HG 0.11 0.12 0.06 -0.04 1.64 1.89 2b2fA1 LEU 123 HD13 0.08 -0.02 -0.06 -0.04 0.93 0.89 2b2fA1 LEU 123 HD23 0.24 -0.02 -0.01 -0.04 0.89 1.06 2b2fA1 TRP 124 H 0.29 0.81 -0.03 -0.55 7.97 8.49 2b2fA1 TRP 124 HA 0.07 -0.00 0.37 -0.75 4.62 4.31 2b2fA1 TRP 124 HB2 0.00 0.14 0.09 -0.04 3.23 3.42 2b2fA1 TRP 124 HB3 -0.02 0.07 0.09 -0.04 3.23 3.33 2b2fA1 TRP 124 HD1 0.02 0.01 -0.00 -0.04 7.22 7.20 2b2fA1 TRP 124 HE1 0.04 0.05 0.02 -0.04 10.20 10.26 2b2fA1 TRP 124 HE3 -0.01 0.07 -0.25 -0.04 7.59 7.36 2b2fA1 TRP 124 HZ2 0.05 0.12 -0.29 -0.04 7.44 7.28 2b2fA1 TRP 124 HZ3 0.06 0.02 -0.10 -0.04 7.13 7.08 2b2fA1 TRP 124 HH2 0.09 0.00 -0.19 -0.04 7.19 7.05 2b2fA1 LEU 125 H 0.25 0.75 -0.11 -0.55 8.37 8.72 2b2fA1 LEU 125 HA 0.16 -0.07 0.47 -0.75 4.35 4.15 2b2fA1 LEU 125 HB2 0.13 0.26 0.17 -0.04 1.64 2.16 2b2fA1 LEU 125 HB3 0.06 0.08 0.06 -0.04 1.64 1.79 2b2fA1 LEU 125 HG 0.04 -0.02 -0.02 -0.04 1.64 1.61 2b2fA1 LEU 125 HD13 0.18 -0.03 -0.05 -0.04 0.93 0.99 2b2fA1 LEU 125 HD23 -0.02 -0.02 0.03 -0.04 0.89 0.83 2b2fA1 THR 126 H -0.03 0.41 -0.36 -0.55 8.28 7.76 2b2fA1 THR 126 HA -0.13 0.00 0.41 -0.75 4.39 3.92 2b2fA1 THR 126 HB -0.59 0.11 0.18 -0.04 4.32 3.98 2b2fA1 THR 126 HG23 -0.79 -0.02 -0.10 -0.04 1.22 0.27 2b2fA1 PHE 127 H -0.11 0.66 0.08 -0.55 8.34 8.41 2b2fA1 PHE 127 HA -0.05 0.22 0.88 -0.75 4.62 4.91 2b2fA1 PHE 127 HB2 -0.05 0.03 0.03 -0.04 3.15 3.12 2b2fA1 PHE 127 HB3 -0.01 -0.04 0.10 -0.04 3.06 3.07 2b2fA1 PHE 127 HD2 0.01 0.05 0.01 -0.04 7.28 7.30 2b2fA1 PHE 127 HE2 -0.01 -0.02 -0.03 -0.04 7.38 7.28 2b2fA1 PHE 127 HZ -0.03 -0.02 -0.04 -0.04 7.32 7.18 2b2fA1 VAL 128 H -0.39 0.43 -0.12 -0.55 8.24 7.61 2b2fA1 VAL 128 HA -0.40 0.20 1.01 -0.75 4.13 4.19 2b2fA1 VAL 128 HB -2.02 0.07 0.14 -0.04 2.12 0.27 2b2fA1 VAL 128 HG13 -1.09 -0.01 -0.11 -0.04 0.97 -0.29 2b2fA1 VAL 128 HG23 -0.30 -0.01 -0.20 -0.04 0.95 0.39 2b2fA1 TYR 129 H -0.77 0.41 0.19 -0.55 8.29 7.57 2b2fA1 TYR 129 HA -0.67 0.04 0.41 -0.75 4.56 3.59 2b2fA1 TYR 129 HB2 -0.34 -0.03 0.11 -0.04 3.06 2.76 2b2fA1 TYR 129 HB3 -0.14 0.10 0.25 -0.04 2.98 3.14 2b2fA1 TYR 129 HD2 0.14 0.04 -0.10 -0.04 7.15 7.18 2b2fA1 TYR 129 HE2 0.13 0.02 -0.13 -0.04 6.85 6.83 2b2fA1 ALA 130 H -0.07 0.59 0.07 -0.55 8.40 8.44 2b2fA1 ALA 130 HA -0.03 -0.05 0.34 -0.75 4.34 3.85 2b2fA1 ALA 130 HB3 -0.10 0.05 -0.00 -0.04 1.41 1.32 2b2fA1 PRO 131 HA -0.31 0.16 0.51 -0.51 4.44 4.29 2b2fA1 PRO 131 HB2 -0.81 0.02 0.01 -0.04 2.28 1.46 2b2fA1 PRO 131 HB3 -0.30 0.06 0.08 -0.04 2.02 1.81 2b2fA1 PRO 131 HG2 -0.11 0.19 -0.29 -0.04 2.03 1.78 2b2fA1 PRO 131 HG3 -0.10 0.04 -0.01 -0.04 2.03 1.93 2b2fA1 PRO 131 HD2 -0.42 -0.07 -0.96 -0.04 3.68 2.18 2b2fA1 PRO 131 HD3 -0.23 0.26 -0.17 -0.04 3.65 3.47 2b2fA1 PHE 132 H -0.68 0.56 -0.12 -0.55 8.34 7.55 2b2fA1 PHE 132 HA -1.15 -0.06 0.37 -0.75 4.62 3.03 2b2fA1 PHE 132 HB2 -0.74 0.22 0.23 -0.04 3.15 2.82 2b2fA1 PHE 132 HB3 -0.62 -0.18 -0.04 -0.04 3.06 2.18 2b2fA1 PHE 132 HD2 -0.98 -0.02 -0.06 -0.04 7.28 6.17 2b2fA1 PHE 132 HE2 -0.42 -0.02 -0.04 -0.04 7.38 6.86 2b2fA1 PHE 132 HZ 0.16 -0.03 0.10 -0.04 7.32 7.51 2b2fA1 ALA 133 H -0.57 0.71 -0.06 -0.55 8.40 7.93 2b2fA1 ALA 133 HA -0.58 -0.11 0.37 -0.75 4.34 3.27 2b2fA1 ALA 133 HB3 -0.31 0.03 0.05 -0.04 1.41 1.14 2b2fA1 HIS 134 H -0.27 0.63 -0.16 -0.55 8.41 8.07 2b2fA1 HIS 134 HA -0.25 0.13 0.49 -0.75 4.63 4.26 2b2fA1 HIS 134 HB2 -0.21 0.14 0.27 -0.04 3.26 3.42 2b2fA1 HIS 134 HB3 -0.07 0.12 0.12 -0.04 3.20 3.33 2b2fA1 HIS 134 HD2 0.30 -0.04 -0.80 -0.04 6.97 6.37 2b2fA1 HIS 134 HE1 0.02 0.09 -0.23 -0.04 7.75 7.59 2b2fA1 TRP 135 H -0.12 0.79 -0.00 -0.55 7.97 8.10 2b2fA1 TRP 135 HA -0.14 -0.08 0.40 -0.75 4.62 4.04 2b2fA1 TRP 135 HB2 -0.35 0.09 0.15 -0.04 3.23 3.08 2b2fA1 TRP 135 HB3 -0.58 -0.23 0.03 -0.04 3.23 2.41 2b2fA1 TRP 135 HD1 0.23 -0.09 -0.02 -0.04 7.22 7.30 2b2fA1 TRP 135 HE1 0.12 0.30 0.25 -0.04 10.20 10.82 2b2fA1 TRP 135 HE3 -0.45 -0.06 -0.04 -0.04 7.59 7.00 2b2fA1 TRP 135 HZ2 -0.16 0.03 0.01 -0.04 7.44 7.27 2b2fA1 TRP 135 HZ3 -0.31 -0.04 -0.14 -0.04 7.13 6.60 2b2fA1 TRP 135 HH2 -0.75 -0.02 -0.03 -0.04 7.19 6.36 2b2fA1 LEU 136 H -0.22 0.56 -0.14 -0.55 8.37 8.02 2b2fA1 LEU 136 HA -0.13 0.08 0.71 -0.75 4.35 4.25 2b2fA1 LEU 136 HB2 -0.71 0.08 0.08 -0.04 1.64 1.05 2b2fA1 LEU 136 HB3 -0.42 -0.01 -0.10 -0.04 1.64 1.07 2b2fA1 LEU 136 HG -0.28 -0.05 -0.18 -0.04 1.64 1.09 2b2fA1 LEU 136 HD13 -0.40 -0.02 -0.09 -0.04 0.93 0.38 2b2fA1 LEU 136 HD23 -0.18 0.01 -0.27 -0.04 0.89 0.40 2b2fA1 TRP 137 H -0.07 0.68 0.16 -0.55 7.97 8.19 2b2fA1 TRP 137 HA 0.06 0.20 1.04 -0.75 4.62 5.17 2b2fA1 TRP 137 HB2 0.22 0.09 0.07 -0.04 3.23 3.57 2b2fA1 TRP 137 HB3 0.38 -0.02 0.12 -0.04 3.23 3.67 2b2fA1 TRP 137 HD1 0.02 0.19 -0.35 -0.04 7.22 7.04 2b2fA1 TRP 137 HE1 0.01 0.33 0.09 -0.04 10.20 10.60 2b2fA1 TRP 137 HE3 0.14 0.04 -0.03 -0.04 7.59 7.70 2b2fA1 TRP 137 HZ2 -0.00 -0.29 -0.33 -0.04 7.44 6.78 2b2fA1 TRP 137 HZ3 -0.24 0.00 -0.09 -0.04 7.13 6.77 2b2fA1 TRP 137 HH2 -0.04 0.05 -0.41 -0.04 7.19 6.75 2b2fA1 GLY 138 H -0.06 0.29 0.09 -0.55 8.43 8.21 2b2fA1 GLY 138 HA2 0.28 0.14 0.82 -0.51 4.01 4.74 2b2fA1 GLY 138 HA3 -0.16 0.18 0.45 -0.51 4.01 3.97 2b2fA1 GLY 139 H 0.02 0.11 -0.44 -0.55 8.43 7.57 2b2fA1 GLY 139 HA2 -0.01 -0.01 0.22 -0.51 4.01 3.70 2b2fA1 GLY 139 HA3 -0.02 0.04 0.45 -0.51 4.01 3.97 2b2fA1 GLY 140 H -0.21 0.33 -0.21 -0.55 8.43 7.80 2b2fA1 GLY 140 HA2 0.00 -0.01 0.28 -0.51 4.01 3.77 2b2fA1 GLY 140 HA3 0.03 -0.03 0.22 -0.51 4.01 3.72 2b2fA1 TRP 141 H 0.35 0.67 0.33 -0.55 7.97 8.77 2b2fA1 TRP 141 HA -0.09 0.05 0.36 -0.75 4.62 4.19 2b2fA1 TRP 141 HB2 -0.18 -0.03 0.07 -0.04 3.23 3.04 2b2fA1 TRP 141 HB3 -0.19 0.07 0.15 -0.04 3.23 3.21 2b2fA1 TRP 141 HD1 -0.77 0.35 0.23 -0.04 7.22 6.99 2b2fA1 TRP 141 HE1 -3.27 0.02 0.02 -0.04 10.20 6.93 2b2fA1 TRP 141 HE3 -0.19 -0.00 -0.13 -0.04 7.59 7.23 2b2fA1 TRP 141 HZ2 -0.78 -0.01 -0.04 -0.04 7.44 6.57 2b2fA1 TRP 141 HZ3 -0.16 -0.01 -0.06 -0.04 7.13 6.85 2b2fA1 TRP 141 HH2 -0.22 -0.01 -0.05 -0.04 7.19 6.87 2b2fA1 LEU 142 H -0.93 0.12 -0.13 -0.55 8.37 6.88 2b2fA1 LEU 142 HA -0.82 0.05 0.44 -0.75 4.35 3.26 2b2fA1 LEU 142 HB2 -0.50 0.05 -0.23 -0.04 1.64 0.92 2b2fA1 LEU 142 HB3 -0.48 -0.03 -0.10 -0.04 1.64 0.99 2b2fA1 LEU 142 HG -2.09 -0.00 -0.02 -0.04 1.64 -0.52 2b2fA1 LEU 142 HD13 -0.31 -0.01 -0.03 -0.04 0.93 0.53 2b2fA1 LEU 142 HD23 -1.29 0.00 -0.06 -0.04 0.89 -0.50 2b2fA1 ALA 143 H -0.19 0.61 -0.07 -0.55 8.40 8.21 2b2fA1 ALA 143 HA -0.08 0.18 0.47 -0.75 4.34 4.16 2b2fA1 ALA 143 HB3 -0.01 0.05 0.06 -0.04 1.41 1.47 2b2fA1 LYS 144 H -0.06 0.47 -0.24 -0.55 8.42 8.04 2b2fA1 LYS 144 HA -0.00 0.01 0.35 -0.75 4.32 3.93 2b2fA1 LYS 144 HB2 0.04 0.10 0.09 -0.04 1.87 2.05 2b2fA1 LYS 144 HB3 0.03 -0.09 0.02 -0.04 1.79 1.71 2b2fA1 LYS 144 HG2 0.01 0.40 -0.10 -0.04 1.46 1.73 2b2fA1 LYS 144 HG3 0.04 -0.11 -0.07 -0.04 1.46 1.29 2b2fA1 LYS 144 HD2 0.02 -0.04 0.02 -0.04 1.69 1.64 2b2fA1 LYS 144 HD3 0.01 0.03 -0.04 -0.04 1.68 1.64 2b2fA1 LYS 144 HE2 0.03 0.03 0.00 -0.04 2.99 3.01 2b2fA1 LYS 144 HE3 0.03 -0.06 -0.00 -0.04 2.99 2.92 2b2fA1 LEU 145 H -0.09 0.36 -0.36 -0.55 8.37 7.73 2b2fA1 LEU 145 HA -0.01 0.13 0.78 -0.75 4.35 4.50 2b2fA1 LEU 145 HB2 -0.02 -0.08 0.20 -0.04 1.64 1.70 2b2fA1 LEU 145 HB3 0.03 -0.03 0.07 -0.04 1.64 1.66 2b2fA1 LEU 145 HG -0.21 0.19 0.18 -0.04 1.64 1.76 2b2fA1 LEU 145 HD13 -0.16 -0.04 -0.07 -0.04 0.93 0.62 2b2fA1 LEU 145 HD23 0.03 -0.04 -0.02 -0.04 0.89 0.83 2b2fA1 GLY 146 H -0.04 0.52 -0.56 -0.55 8.43 7.80 2b2fA1 GLY 146 HA2 -0.01 0.05 0.28 -0.51 4.01 3.82 2b2fA1 GLY 146 HA3 -0.03 -0.01 0.47 -0.51 4.01 3.94 2b2fA1 ALA 147 H -0.13 0.49 -0.03 -0.55 8.40 8.18 2b2fA1 ALA 147 HA -0.12 -0.01 0.44 -0.75 4.34 3.90 2b2fA1 ALA 147 HB3 -0.19 -0.01 -0.06 -0.04 1.41 1.10 2b2fA1 LEU 148 H -0.12 0.15 0.18 -0.55 8.37 8.04 2b2fA1 LEU 148 HA -0.01 0.26 0.87 -0.75 4.35 4.71 2b2fA1 LEU 148 HB2 -0.32 -0.06 0.02 -0.04 1.64 1.25 2b2fA1 LEU 148 HB3 -0.25 -0.04 0.01 -0.04 1.64 1.31 2b2fA1 LEU 148 HG -0.40 0.14 -0.23 -0.04 1.64 1.11 2b2fA1 LEU 148 HD13 -1.58 -0.02 -0.05 -0.04 0.93 -0.76 2b2fA1 LEU 148 HD23 -0.39 0.06 -0.09 -0.04 0.89 0.43 2b2fA1 ASP 149 H 0.34 0.34 -0.05 -0.55 8.40 8.48 2b2fA1 ASP 149 HA 0.28 0.09 0.70 -0.75 4.63 4.94 2b2fA1 ASP 149 HB2 0.04 0.14 -0.16 -0.04 2.71 2.69 2b2fA1 ASP 149 HB3 0.32 0.12 0.09 -0.04 2.70 3.19 2b2fA1 PHE 150 H 0.53 0.67 0.25 -0.55 8.34 9.23 2b2fA1 PHE 150 HA 0.09 0.13 0.41 -0.75 4.62 4.49 2b2fA1 PHE 150 HB2 -0.48 0.02 0.00 -0.04 3.15 2.65 2b2fA1 PHE 150 HB3 -0.02 0.04 -0.04 -0.04 3.06 2.99 2b2fA1 PHE 150 HD2 -0.28 0.05 -0.06 -0.04 7.28 6.95 2b2fA1 PHE 150 HE2 -0.07 0.15 -0.07 -0.04 7.38 7.35 2b2fA1 PHE 150 HZ -0.04 -0.07 -0.25 -0.04 7.32 6.92 2b2fA1 ALA 151 H 0.40 0.12 0.02 -0.55 8.40 8.39 2b2fA1 ALA 151 HA -0.10 0.36 1.01 -0.75 4.34 4.86 2b2fA1 ALA 151 HB3 0.25 0.03 0.02 -0.04 1.41 1.67 2b2fA1 GLY 152 H 0.58 -0.04 -0.19 -0.55 8.43 8.24 2b2fA1 GLY 152 HA2 0.24 -0.03 0.21 -0.51 4.01 3.93 2b2fA1 GLY 152 HA3 0.52 0.37 0.88 -0.51 4.01 5.27 2b2fA1 GLY 153 H 0.35 0.04 0.02 -0.55 8.43 8.28 2b2fA1 GLY 153 HA2 0.48 0.20 0.43 -0.51 4.01 4.61 2b2fA1 GLY 153 HA3 0.24 0.13 0.38 -0.51 4.01 4.24 2b2fA1 MET 154 H 0.08 -0.02 -0.23 -0.55 8.47 7.76 2b2fA1 MET 154 HA 0.12 0.14 0.74 -0.75 4.52 4.77 2b2fA1 MET 154 HB2 -0.14 -0.03 0.03 -0.04 2.15 1.96 2b2fA1 MET 154 HB3 -0.16 0.08 -0.10 -0.04 2.03 1.81 2b2fA1 MET 154 HG2 -0.00 0.05 -0.11 -0.04 2.63 2.52 2b2fA1 MET 154 HG3 0.02 -0.08 -0.10 -0.04 2.56 2.36 2b2fA1 MET 154 HE3 -0.06 -0.02 -0.01 -0.04 2.10 1.96 2b2fA1 VAL 155 H -0.22 0.00 -0.07 -0.55 8.24 7.40 2b2fA1 VAL 155 HA -0.12 0.10 0.26 -0.75 4.13 3.61 2b2fA1 VAL 155 HB -0.58 -0.05 0.00 -0.04 2.12 1.45 2b2fA1 VAL 155 HG13 -0.63 0.03 -0.13 -0.04 0.97 0.19 2b2fA1 VAL 155 HG23 -1.31 0.01 -0.10 -0.04 0.95 -0.48 2b2fA1 VAL 156 H 0.10 0.26 -0.32 -0.55 8.24 7.74 2b2fA1 VAL 156 HA 0.24 0.23 0.98 -0.75 4.13 4.83 2b2fA1 VAL 156 HB -0.03 0.12 0.11 -0.04 2.12 2.28 2b2fA1 VAL 156 HG13 -0.21 -0.01 -0.19 -0.04 0.97 0.52 2b2fA1 VAL 156 HG23 0.42 -0.00 -0.11 -0.04 0.95 1.21 2b2fA1 HIS 157 H 0.12 0.42 -0.01 -0.55 8.41 8.40 2b2fA1 HIS 157 HA 0.26 0.06 0.55 -0.75 4.63 4.75 2b2fA1 HIS 157 HB2 0.25 0.19 0.27 -0.04 3.26 3.93 2b2fA1 HIS 157 HB3 0.28 0.09 0.10 -0.04 3.20 3.64 2b2fA1 HIS 157 HD2 0.36 -0.09 -0.25 -0.04 6.97 6.94 2b2fA1 HIS 157 HE1 0.04 0.01 -0.11 -0.04 7.75 7.65 2b2fA1 ILE 158 H 0.31 0.44 0.14 -0.55 8.25 8.59 2b2fA1 ILE 158 HA 0.47 0.07 0.50 -0.75 4.18 4.47 2b2fA1 ILE 158 HB 0.23 0.03 0.17 -0.04 1.89 2.28 2b2fA1 ILE 158 HG12 0.29 0.08 0.03 -0.04 1.49 1.85 2b2fA1 ILE 158 HG13 0.23 0.13 -0.12 -0.04 1.21 1.40 2b2fA1 ILE 158 HG23 0.19 -0.01 -0.27 -0.04 0.93 0.81 2b2fA1 ILE 158 HD13 0.07 -0.02 -0.08 -0.04 0.88 0.81 2b2fA1 SER 159 H 0.36 0.35 -0.39 -0.55 8.46 8.25 2b2fA1 SER 159 HA 0.51 0.03 0.28 -0.75 4.49 4.55 2b2fA1 SER 159 HB2 0.26 -0.05 -0.07 -0.04 3.95 4.05 2b2fA1 SER 159 HB3 0.30 0.07 -0.01 -0.04 3.93 4.25 2b2fA1 SER 160 H 0.34 0.46 -0.24 -0.55 8.46 8.48 2b2fA1 SER 160 HA 0.01 0.03 0.36 -0.75 4.49 4.14 2b2fA1 SER 160 HB2 -0.04 -0.09 -0.02 -0.04 3.95 3.75 2b2fA1 SER 160 HB3 0.06 0.09 0.15 -0.04 3.93 4.19 2b2fA1 GLY 161 H 0.34 0.61 -0.34 -0.55 8.43 8.49 2b2fA1 GLY 161 HA2 0.26 -0.08 -0.00 -0.51 4.01 3.67 2b2fA1 GLY 161 HA3 0.29 0.07 0.32 -0.51 4.01 4.18 2b2fA1 PHE 162 H 0.71 0.81 0.01 -0.55 8.34 9.31 2b2fA1 PHE 162 HA 0.59 -0.01 0.55 -0.75 4.62 5.00 2b2fA1 PHE 162 HB2 0.42 0.19 0.11 -0.04 3.15 3.82 2b2fA1 PHE 162 HB3 0.49 -0.03 -0.00 -0.04 3.06 3.48 2b2fA1 PHE 162 HD2 0.30 0.08 0.08 -0.04 7.28 7.70 2b2fA1 PHE 162 HE2 0.23 0.06 -0.11 -0.04 7.38 7.51 2b2fA1 PHE 162 HZ 0.28 -0.00 -0.10 -0.04 7.32 7.46 2b2fA1 ALA 163 H 0.47 0.63 -0.24 -0.55 8.40 8.71 2b2fA1 ALA 163 HA 0.33 0.09 0.40 -0.75 4.34 4.41 2b2fA1 ALA 163 HB3 0.29 0.00 0.09 -0.04 1.41 1.75 2b2fA1 ALA 164 H 0.16 0.63 -0.28 -0.55 8.40 8.36 2b2fA1 ALA 164 HA -0.00 0.02 0.41 -0.75 4.34 4.01 2b2fA1 ALA 164 HB3 0.09 0.02 0.11 -0.04 1.41 1.59 2b2fA1 LEU 165 H 0.20 0.37 -0.26 -0.55 8.37 8.13 2b2fA1 LEU 165 HA -0.05 -0.04 0.41 -0.75 4.35 3.93 2b2fA1 LEU 165 HB2 -0.33 -0.06 0.13 -0.04 1.64 1.34 2b2fA1 LEU 165 HB3 0.13 0.18 0.16 -0.04 1.64 2.06 2b2fA1 LEU 165 HG -0.08 0.03 -0.15 -0.04 1.64 1.40 2b2fA1 LEU 165 HD13 -0.68 -0.02 0.01 -0.04 0.93 0.20 2b2fA1 LEU 165 HD23 -0.89 -0.00 -0.03 -0.04 0.89 -0.08 2b2fA1 ALA 166 H 0.20 0.52 -0.15 -0.55 8.40 8.43 2b2fA1 ALA 166 HA -0.03 0.01 0.42 -0.75 4.34 3.99 2b2fA1 ALA 166 HB3 -0.19 0.02 0.12 -0.04 1.41 1.32 2b2fA1 VAL 167 H 0.01 0.66 -0.07 -0.55 8.24 8.29 2b2fA1 VAL 167 HA -0.02 -0.01 0.37 -0.75 4.13 3.72 2b2fA1 VAL 167 HB -0.03 0.04 0.11 -0.04 2.12 2.19 2b2fA1 VAL 167 HG13 -0.02 0.00 -0.20 -0.04 0.97 0.71 2b2fA1 VAL 167 HG23 -0.04 0.06 -0.02 -0.04 0.95 0.91 2b2fA1 ALA 168 H -0.02 0.60 -0.13 -0.55 8.40 8.30 2b2fA1 ALA 168 HA -0.07 0.21 0.41 -0.75 4.34 4.14 2b2fA1 ALA 168 HB3 -0.08 -0.02 -0.02 -0.04 1.41 1.26 2b2fA1 MET 169 H -0.03 0.47 -0.24 -0.55 8.47 8.13 2b2fA1 MET 169 HA -0.04 -0.03 0.41 -0.75 4.52 4.10 2b2fA1 MET 169 HB2 0.01 0.14 0.17 -0.04 2.15 2.43 2b2fA1 MET 169 HB3 0.01 -0.05 0.02 -0.04 2.03 1.97 2b2fA1 MET 169 HG2 -0.02 -0.04 0.03 -0.04 2.63 2.56 2b2fA1 MET 169 HG3 -0.03 0.01 0.04 -0.04 2.56 2.53 2b2fA1 MET 169 HE3 0.12 -0.00 -0.02 -0.04 2.10 2.16 2b2fA1 THR 170 H -0.03 0.41 -0.22 -0.55 8.28 7.90 2b2fA1 THR 170 HA -0.02 0.04 0.50 -0.75 4.39 4.15 2b2fA1 THR 170 HB -0.03 0.04 0.13 -0.04 4.32 4.42 2b2fA1 THR 170 HG23 -0.02 -0.05 -0.19 -0.04 1.22 0.92 2b2fA1 ILE 171 H -0.03 0.68 0.03 -0.55 8.25 8.38 2b2fA1 ILE 171 HA -0.02 -0.05 0.51 -0.75 4.18 3.87 2b2fA1 ILE 171 HB -0.03 -0.10 0.05 -0.04 1.89 1.77 2b2fA1 ILE 171 HG12 -0.03 0.11 -0.00 -0.04 1.49 1.52 2b2fA1 ILE 171 HG13 -0.02 -0.16 0.06 -0.04 1.21 1.06 2b2fA1 ILE 171 HG23 -0.06 0.09 -0.01 -0.04 0.93 0.91 2b2fA1 ILE 171 HD13 -0.02 -0.00 -0.16 -0.04 0.88 0.65 2b2fA1 GLY 172 H -0.05 0.36 -0.28 -0.55 8.43 7.91 2b2fA1 GLY 172 HA2 -0.05 -0.04 0.36 -0.51 4.01 3.77 2b2fA1 GLY 172 HA3 -0.03 0.08 0.54 -0.51 4.01 4.09 2b2fA1 LYS 173 H -0.05 0.04 0.16 -0.55 8.42 8.02 2b2fA1 LYS 173 HA -0.27 0.04 0.47 -0.75 4.32 3.80 2b2fA1 LYS 173 HB2 0.04 -0.04 0.04 -0.04 1.87 1.87 2b2fA1 LYS 173 HB3 0.00 -0.04 0.13 -0.04 1.79 1.85 2b2fA1 LYS 173 HG2 -0.14 -0.02 0.11 -0.04 1.46 1.37 2b2fA1 LYS 173 HG3 -0.03 -0.02 0.17 -0.04 1.46 1.54 2b2fA1 LYS 173 HD2 0.18 -0.11 0.05 -0.04 1.69 1.77 2b2fA1 LYS 173 HD3 0.43 0.05 0.05 -0.04 1.68 2.17 2b2fA1 LYS 173 HE2 0.04 -0.06 0.08 -0.04 2.99 3.02 2b2fA1 LYS 173 HE3 0.08 -0.06 0.06 -0.04 2.99 3.04 2b2fA1 ARG 174 H -0.17 0.05 0.19 -0.55 8.46 7.98 2b2fA1 ARG 174 HA -0.01 0.14 0.50 -0.75 4.34 4.21 2b2fA1 ARG 174 HB2 0.04 -0.07 0.07 -0.04 1.90 1.91 2b2fA1 ARG 174 HB3 0.03 0.05 0.05 -0.04 1.80 1.88 2b2fA1 ARG 174 HG2 -0.04 0.06 -0.01 -0.04 1.67 1.64 2b2fA1 ARG 174 HG3 -0.11 0.02 0.05 -0.04 1.67 1.58 2b2fA1 ARG 174 HD2 0.00 -0.05 -0.01 -0.04 3.22 3.12 2b2fA1 ARG 174 HD3 -0.05 0.13 -0.05 -0.04 3.22 3.21 2b2fA1 ALA 175 H 0.04 0.14 0.16 -0.55 8.40 8.19 2b2fA1 ALA 175 HA 0.06 0.01 0.43 -0.75 4.34 4.09 2b2fA1 ALA 175 HB3 0.07 0.01 0.11 -0.04 1.41 1.56 2b2fA1 GLY 176 H 0.08 0.10 0.20 -0.55 8.43 8.26 2b2fA1 GLY 176 HA2 0.07 -0.08 0.36 -0.51 4.01 3.86 2b2fA1 GLY 176 HA3 0.09 0.14 0.40 -0.51 4.01 4.13 2b2fA1 PHE 177 H 0.20 0.49 -0.31 -0.55 8.34 8.17 2b2fA1 PHE 177 HA -0.03 0.10 0.33 -0.75 4.62 4.28 2b2fA1 PHE 177 HB2 -0.02 -0.05 0.13 -0.04 3.15 3.17 2b2fA1 PHE 177 HB3 -0.01 -0.07 0.13 -0.04 3.06 3.07 2b2fA1 PHE 177 HD2 -0.03 -0.01 -0.03 -0.04 7.28 7.18 2b2fA1 PHE 177 HE2 -0.04 0.04 -0.23 -0.04 7.38 7.11 2b2fA1 PHE 177 HZ -0.03 0.08 -0.24 -0.04 7.32 7.08 2b2fA1 GLU 178 H 0.07 0.01 -0.09 -0.55 8.60 8.04 2b2fA1 GLU 178 HA -0.38 0.16 0.41 -0.75 4.29 3.72 2b2fA1 GLU 178 HB2 -0.00 -0.10 0.05 -0.04 2.09 2.00 2b2fA1 GLU 178 HB3 -0.06 0.04 -0.01 -0.04 1.99 1.92 2b2fA1 GLU 178 HG2 -0.04 0.08 0.01 -0.04 2.34 2.35 2b2fA1 GLU 178 HG3 0.15 -0.07 0.04 -0.04 2.34 2.42 2b2fA1 GLU 179 H -0.00 -0.10 -0.30 -0.55 8.60 7.66 2b2fA1 GLU 179 HA 0.00 0.05 0.40 -0.75 4.29 3.99 2b2fA1 GLU 179 HB2 0.03 -0.09 0.09 -0.04 2.09 2.08 2b2fA1 GLU 179 HB3 0.07 0.02 0.14 -0.04 1.99 2.17 2b2fA1 GLU 179 HG2 0.05 0.05 -0.13 -0.04 2.34 2.28 2b2fA1 GLU 179 HG3 0.03 -0.04 0.01 -0.04 2.34 2.30 2b2fA1 TYR 180 H 0.07 0.49 0.03 -0.55 8.29 8.33 2b2fA1 TYR 180 HA -0.05 0.14 0.85 -0.75 4.56 4.75 2b2fA1 TYR 180 HB2 -0.01 -0.00 -0.11 -0.04 3.06 2.89 2b2fA1 TYR 180 HB3 -0.00 -0.05 0.00 -0.04 2.98 2.89 2b2fA1 TYR 180 HD2 -0.00 -0.03 0.03 -0.04 7.15 7.11 2b2fA1 TYR 180 HE2 0.00 -0.09 0.04 -0.04 6.85 6.76 2b2fA1 SER 181 H -0.68 0.05 0.12 -0.55 8.46 7.41 2b2fA1 SER 181 HA -0.34 0.12 0.45 -0.75 4.49 3.97 2b2fA1 SER 181 HB2 -0.56 -0.06 0.06 -0.04 3.95 3.34 2b2fA1 SER 181 HB3 -0.28 0.05 -0.08 -0.04 3.93 3.58 2b2fA1 ILE 182 H -0.16 0.18 0.17 -0.55 8.25 7.90 2b2fA1 ILE 182 HA -0.10 0.08 0.70 -0.75 4.18 4.10 2b2fA1 ILE 182 HB -0.01 0.01 0.15 -0.04 1.89 2.00 2b2fA1 ILE 182 HG12 0.02 0.06 0.05 -0.04 1.49 1.58 2b2fA1 ILE 182 HG13 0.06 -0.05 0.00 -0.04 1.21 1.19 2b2fA1 ILE 182 HG23 0.01 0.00 -0.08 -0.04 0.93 0.83 2b2fA1 ILE 182 HD13 0.01 0.02 -0.15 -0.04 0.88 0.73 2b2fA1 GLU 183 H -0.02 0.10 0.07 -0.55 8.60 8.22 2b2fA1 GLU 183 HA -0.03 0.19 0.70 -0.75 4.29 4.40 2b2fA1 GLU 183 HB2 0.05 -0.07 0.01 -0.04 2.09 2.03 2b2fA1 GLU 183 HB3 0.02 0.07 -0.01 -0.04 1.99 2.03 2b2fA1 GLU 183 HG2 0.06 0.05 -0.06 -0.04 2.34 2.34 2b2fA1 GLU 183 HG3 0.09 -0.03 -0.02 -0.04 2.34 2.35 2b2fA1 PRO 184 HA 0.04 0.16 0.27 -0.51 4.44 4.40 2b2fA1 PRO 184 HB2 -0.05 -0.03 -0.05 -0.04 2.28 2.11 2b2fA1 PRO 184 HB3 -0.02 0.04 0.14 -0.04 2.02 2.13 2b2fA1 PRO 184 HG2 -0.02 -0.05 0.12 -0.04 2.03 2.04 2b2fA1 PRO 184 HG3 -0.02 -0.03 0.09 -0.04 2.03 2.02 2b2fA1 PRO 184 HD2 -0.01 0.03 0.22 -0.04 3.68 3.88 2b2fA1 PRO 184 HD3 -0.01 0.21 0.21 -0.04 3.65 4.02 2b2fA1 HIS 185 H 0.19 0.57 0.12 -0.55 8.41 8.75 2b2fA1 HIS 185 HA -0.00 0.07 0.48 -0.75 4.63 4.42 2b2fA1 HIS 185 HB2 0.02 -0.13 0.18 -0.04 3.26 3.29 2b2fA1 HIS 185 HB3 0.03 0.00 0.24 -0.04 3.20 3.43 2b2fA1 HIS 185 HD2 0.01 -0.05 -0.09 -0.04 6.97 6.79 2b2fA1 HIS 185 HE1 0.12 0.02 -0.25 -0.04 7.75 7.60 2b2fA1 SER 186 H -0.42 0.59 -0.08 -0.55 8.46 8.00 2b2fA1 SER 186 HA -0.22 0.14 0.72 -0.75 4.49 4.38 2b2fA1 SER 186 HB2 -0.48 0.13 -0.13 -0.04 3.95 3.42 2b2fA1 SER 186 HB3 -0.62 -0.01 0.12 -0.04 3.93 3.38 2b2fA1 ILE 187 H -0.10 0.25 0.04 -0.55 8.25 7.89 2b2fA1 ILE 187 HA -0.07 0.11 0.43 -0.75 4.18 3.89 2b2fA1 ILE 187 HB -0.04 0.05 0.11 -0.04 1.89 1.97 2b2fA1 ILE 187 HG12 -0.04 0.02 0.01 -0.04 1.49 1.44 2b2fA1 ILE 187 HG13 -0.05 0.10 0.02 -0.04 1.21 1.23 2b2fA1 ILE 187 HG23 -0.02 -0.02 -0.08 -0.04 0.93 0.77 2b2fA1 ILE 187 HD13 -0.02 -0.01 0.04 -0.04 0.88 0.85 2b2fA1 PRO 188 HA -0.02 0.07 0.40 -0.51 4.44 4.38 2b2fA1 PRO 188 HB2 -0.05 0.04 0.00 -0.04 2.28 2.23 2b2fA1 PRO 188 HB3 -0.03 0.07 0.04 -0.04 2.02 2.06 2b2fA1 PRO 188 HG2 -0.05 0.10 0.05 -0.04 2.03 2.09 2b2fA1 PRO 188 HG3 -0.03 0.06 0.04 -0.04 2.03 2.05 2b2fA1 PRO 188 HD2 -0.09 0.08 0.05 -0.04 3.68 3.68 2b2fA1 PRO 188 HD3 -0.06 0.09 0.14 -0.04 3.65 3.78 2b2fA1 LEU 189 H -0.07 0.20 -0.38 -0.55 8.37 7.57 2b2fA1 LEU 189 HA -0.02 0.04 0.36 -0.75 4.35 3.98 2b2fA1 LEU 189 HB2 -0.00 -0.03 0.06 -0.04 1.64 1.63 2b2fA1 LEU 189 HB3 -0.05 0.19 0.12 -0.04 1.64 1.86 2b2fA1 LEU 189 HG 0.15 0.13 -0.15 -0.04 1.64 1.73 2b2fA1 LEU 189 HD13 -0.03 -0.02 0.02 -0.04 0.93 0.87 2b2fA1 LEU 189 HD23 0.25 0.00 -0.13 -0.04 0.89 0.97 2b2fA1 THR 190 H -0.03 0.34 -0.17 -0.55 8.28 7.86 2b2fA1 THR 190 HA 0.05 0.18 0.44 -0.75 4.39 4.31 2b2fA1 THR 190 HB -0.07 0.07 0.19 -0.04 4.32 4.48 2b2fA1 THR 190 HG23 -0.32 -0.01 -0.08 -0.04 1.22 0.76 2b2fA1 LEU 191 H 0.03 0.54 -0.13 -0.55 8.37 8.26 2b2fA1 LEU 191 HA 0.14 0.00 0.41 -0.75 4.35 4.16 2b2fA1 LEU 191 HB2 0.03 0.10 0.11 -0.04 1.64 1.84 2b2fA1 LEU 191 HB3 0.05 -0.03 0.02 -0.04 1.64 1.64 2b2fA1 LEU 191 HG 0.02 0.19 -0.02 -0.04 1.64 1.79 2b2fA1 LEU 191 HD13 0.01 -0.02 -0.06 -0.04 0.93 0.81 2b2fA1 LEU 191 HD23 0.08 -0.02 -0.09 -0.04 0.89 0.82 2b2fA1 ILE 192 H 0.05 0.49 -0.29 -0.55 8.25 7.96 2b2fA1 ILE 192 HA 0.04 0.01 0.45 -0.75 4.18 3.93 2b2fA1 ILE 192 HB -0.01 0.19 0.16 -0.04 1.89 2.18 2b2fA1 ILE 192 HG12 -0.03 -0.04 0.02 -0.04 1.49 1.39 2b2fA1 ILE 192 HG13 -0.01 0.17 0.04 -0.04 1.21 1.37 2b2fA1 ILE 192 HG23 -0.08 -0.02 -0.13 -0.04 0.93 0.67 2b2fA1 ILE 192 HD13 -0.08 -0.02 -0.04 -0.04 0.88 0.70 2b2fA1 GLY 193 H 0.19 0.48 -0.26 -0.55 8.43 8.29 2b2fA1 GLY 193 HA2 0.31 -0.01 0.45 -0.51 4.01 4.25 2b2fA1 GLY 193 HA3 0.33 0.06 0.30 -0.51 4.01 4.18 2b2fA1 ALA 194 H 0.32 0.58 -0.14 -0.55 8.40 8.60 2b2fA1 ALA 194 HA 0.06 0.01 0.38 -0.75 4.34 4.04 2b2fA1 ALA 194 HB3 0.29 0.03 0.08 -0.04 1.41 1.77 2b2fA1 ALA 195 H 0.15 0.56 -0.24 -0.55 8.40 8.33 2b2fA1 ALA 195 HA 0.16 -0.01 0.46 -0.75 4.34 4.20 2b2fA1 ALA 195 HB3 0.05 0.03 0.11 -0.04 1.41 1.56 2b2fA1 LEU 196 H 0.17 0.55 -0.15 -0.55 8.37 8.38 2b2fA1 LEU 196 HA 0.26 0.00 0.45 -0.75 4.35 4.31 2b2fA1 LEU 196 HB2 0.17 0.13 0.13 -0.04 1.64 2.03 2b2fA1 LEU 196 HB3 0.18 -0.03 -0.01 -0.04 1.64 1.73 2b2fA1 LEU 196 HG 0.15 0.32 0.07 -0.04 1.64 2.13 2b2fA1 LEU 196 HD13 0.28 -0.02 -0.06 -0.04 0.93 1.10 2b2fA1 LEU 196 HD23 0.10 -0.03 -0.04 -0.04 0.89 0.87 2b2fA1 LEU 197 H 0.16 0.48 -0.26 -0.55 8.37 8.21 2b2fA1 LEU 197 HA 0.07 0.03 0.49 -0.75 4.35 4.18 2b2fA1 LEU 197 HB2 0.05 0.10 0.11 -0.04 1.64 1.87 2b2fA1 LEU 197 HB3 0.13 -0.06 -0.05 -0.04 1.64 1.63 2b2fA1 LEU 197 HG -0.03 0.20 -0.09 -0.04 1.64 1.67 2b2fA1 LEU 197 HD13 -0.42 -0.03 -0.14 -0.04 0.93 0.31 2b2fA1 LEU 197 HD23 -0.18 -0.02 -0.07 -0.04 0.89 0.58 2b2fA1 TRP 198 H 0.42 0.54 -0.11 -0.55 7.97 8.28 2b2fA1 TRP 198 HA 0.20 0.03 0.40 -0.75 4.62 4.50 2b2fA1 TRP 198 HB2 0.08 0.08 0.12 -0.04 3.23 3.47 2b2fA1 TRP 198 HB3 0.19 0.05 0.11 -0.04 3.23 3.53 2b2fA1 TRP 198 HD1 0.33 -0.02 -0.22 -0.04 7.22 7.27 2b2fA1 TRP 198 HE1 0.05 -0.02 -0.05 -0.04 10.20 10.14 2b2fA1 TRP 198 HE3 0.01 0.03 -0.05 -0.04 7.59 7.54 2b2fA1 TRP 198 HZ2 -0.00 0.03 -0.00 -0.04 7.44 7.42 2b2fA1 TRP 198 HZ3 -0.01 -0.01 -0.07 -0.04 7.13 7.00 2b2fA1 TRP 198 HH2 0.00 -0.00 -0.12 -0.04 7.19 7.03 2b2fA1 PHE 199 H 0.54 0.53 -0.15 -0.55 8.34 8.72 2b2fA1 PHE 199 HA 0.39 0.00 0.38 -0.75 4.62 4.64 2b2fA1 PHE 199 HB2 0.09 0.01 0.11 -0.04 3.15 3.32 2b2fA1 PHE 199 HB3 0.14 0.10 0.17 -0.04 3.06 3.43 2b2fA1 PHE 199 HD2 -0.04 0.02 0.00 -0.04 7.28 7.22 2b2fA1 PHE 199 HE2 -0.03 -0.01 -0.04 -0.04 7.38 7.25 2b2fA1 PHE 199 HZ 0.01 -0.02 -0.05 -0.04 7.32 7.22 2b2fA1 GLY 200 H 0.25 0.62 -0.19 -0.55 8.43 8.57 2b2fA1 GLY 200 HA2 -0.23 -0.04 0.40 -0.51 4.01 3.64 2b2fA1 GLY 200 HA3 -0.04 0.18 0.31 -0.51 4.01 3.95 2b2fA1 TRP 201 H 0.40 0.49 -0.50 -0.55 7.97 7.81 2b2fA1 TRP 201 HA 0.04 -0.03 0.39 -0.75 4.62 4.27 2b2fA1 TRP 201 HB2 -0.05 0.30 0.17 -0.04 3.23 3.60 2b2fA1 TRP 201 HB3 -0.07 0.01 -0.03 -0.04 3.23 3.09 2b2fA1 TRP 201 HD1 0.10 -0.19 0.11 -0.04 7.22 7.20 2b2fA1 TRP 201 HE1 0.15 -0.01 -0.06 -0.04 10.20 10.23 2b2fA1 TRP 201 HE3 -0.22 0.18 -0.13 -0.04 7.59 7.38 2b2fA1 TRP 201 HZ2 -0.24 -0.00 -0.25 -0.04 7.44 6.91 2b2fA1 TRP 201 HZ3 -0.23 -0.01 -0.09 -0.04 7.13 6.76 2b2fA1 TRP 201 HH2 -0.11 -0.00 -0.11 -0.04 7.19 6.92 2b2fA1 PHE 202 H 0.52 0.50 -0.53 -0.55 8.34 8.28 2b2fA1 PHE 202 HA 0.30 0.01 0.46 -0.75 4.62 4.64 2b2fA1 PHE 202 HB2 0.05 0.26 0.16 -0.04 3.15 3.57 2b2fA1 PHE 202 HB3 0.30 -0.07 -0.03 -0.04 3.06 3.22 2b2fA1 PHE 202 HD2 0.26 0.10 0.08 -0.04 7.28 7.69 2b2fA1 PHE 202 HE2 0.28 -0.02 -0.05 -0.04 7.38 7.54 2b2fA1 PHE 202 HZ 0.20 -0.03 -0.02 -0.04 7.32 7.43 2b2fA1 GLY 203 H 0.13 0.39 -0.14 -0.55 8.43 8.26 2b2fA1 GLY 203 HA2 -0.18 0.02 0.47 -0.51 4.01 3.81 2b2fA1 GLY 203 HA3 -0.11 0.10 0.36 -0.51 4.01 3.85 2b2fA1 PHE 204 H 0.16 0.28 -0.21 -0.55 8.34 8.02 2b2fA1 PHE 204 HA -0.27 0.08 0.33 -0.75 4.62 4.01 2b2fA1 PHE 204 HB2 -0.56 0.05 0.05 -0.04 3.15 2.64 2b2fA1 PHE 204 HB3 -0.34 -0.02 0.15 -0.04 3.06 2.81 2b2fA1 PHE 204 HD2 -0.44 -0.03 -0.11 -0.04 7.28 6.66 2b2fA1 PHE 204 HE2 -0.33 -0.04 -0.07 -0.04 7.38 6.89 2b2fA1 PHE 204 HZ -0.26 -0.07 -0.02 -0.04 7.32 6.93 2b2fA1 ASN 205 H 0.50 0.53 0.02 -0.55 8.53 9.03 2b2fA1 ASN 205 HA 0.37 0.11 0.60 -0.75 4.76 5.09 2b2fA1 ASN 205 HB2 0.38 0.11 0.09 -0.04 2.88 3.42 2b2fA1 ASN 205 HB3 0.34 -0.04 -0.07 -0.04 2.79 2.98 2b2fA1 ASN 205 HD21 0.26 0.04 -0.08 -0.04 7.03 7.20 2b2fA1 ASN 205 HD22 0.13 0.01 -0.05 -0.04 7.74 7.78 2b2fA1 GLY 206 H 0.34 0.35 -0.09 -0.55 8.43 8.48 2b2fA1 GLY 206 HA2 0.36 0.01 0.39 -0.51 4.01 4.26 2b2fA1 GLY 206 HA3 0.54 0.16 0.34 -0.51 4.01 4.54 2b2fA1 GLY 207 H 0.17 0.40 -0.48 -0.55 8.43 7.97 2b2fA1 GLY 207 HA2 -0.17 -0.01 0.54 -0.51 4.01 3.86 2b2fA1 GLY 207 HA3 -0.37 0.15 0.32 -0.51 4.01 3.60 2b2fA1 SER 208 H 0.11 0.34 -0.50 -0.55 8.46 7.87 2b2fA1 SER 208 HA -0.12 0.07 0.41 -0.75 4.49 4.10 2b2fA1 SER 208 HB2 -0.50 0.11 0.09 -0.04 3.95 3.61 2b2fA1 SER 208 HB3 -1.02 0.13 0.14 -0.04 3.93 3.13 2b2fA1 ALA 209 H 0.12 0.21 -0.57 -0.55 8.40 7.62 2b2fA1 ALA 209 HA 0.11 0.14 0.54 -0.75 4.34 4.38 2b2fA1 ALA 209 HB3 0.23 0.01 0.02 -0.04 1.41 1.62 2b2fA1 LEU 210 H -0.06 0.47 -0.31 -0.55 8.37 7.92 2b2fA1 LEU 210 HA -0.15 0.09 0.30 -0.75 4.35 3.83 2b2fA1 LEU 210 HB2 -0.05 0.16 -0.08 -0.04 1.64 1.62 2b2fA1 LEU 210 HB3 -0.07 -0.09 0.19 -0.04 1.64 1.62 2b2fA1 LEU 210 HG -0.13 0.15 -0.30 -0.04 1.64 1.32 2b2fA1 LEU 210 HD13 -0.06 -0.01 -0.02 -0.04 0.93 0.79 2b2fA1 LEU 210 HD23 -0.09 0.03 0.03 -0.04 0.89 0.82 2b2fA1 ALA 211 H 0.14 0.21 -0.27 -0.55 8.40 7.94 2b2fA1 ALA 211 HA 0.10 0.05 0.49 -0.75 4.34 4.22 2b2fA1 ALA 211 HB3 0.05 0.04 -0.10 -0.04 1.41 1.35 2b2fA1 ALA 212 H 0.09 0.14 0.02 -0.55 8.40 8.10 2b2fA1 ALA 212 HA -0.19 0.17 0.66 -0.75 4.34 4.24 2b2fA1 ALA 212 HB3 -0.06 0.01 0.08 -0.04 1.41 1.40 2b2fA1 ASN 213 H 0.01 0.30 -0.15 -0.55 8.53 8.15 2b2fA1 ASN 213 HA -0.03 0.28 0.88 -0.75 4.76 5.14 2b2fA1 ASN 213 HB2 0.01 -0.08 0.20 -0.04 2.88 2.96 2b2fA1 ASN 213 HB3 0.01 0.08 -0.13 -0.04 2.79 2.71 2b2fA1 ASN 213 HD21 0.06 0.16 0.00 -0.04 7.03 7.21 2b2fA1 ASN 213 HD22 0.03 0.07 -0.02 -0.04 7.74 7.78 2b2fA1 ASP 214 H -0.01 0.23 0.17 -0.55 8.40 8.24 2b2fA1 ASP 214 HA -0.03 0.08 0.45 -0.75 4.63 4.38 2b2fA1 ASP 214 HB2 -0.01 0.03 0.17 -0.04 2.71 2.86 2b2fA1 ASP 214 HB3 -0.02 0.10 0.07 -0.04 2.70 2.81 2b2fA1 VAL 215 H 0.01 0.07 -0.15 -0.55 8.24 7.62 2b2fA1 VAL 215 HA -0.05 0.19 0.53 -0.75 4.13 4.05 2b2fA1 VAL 215 HB 0.08 -0.05 0.10 -0.04 2.12 2.20 2b2fA1 VAL 215 HG13 0.01 0.05 -0.04 -0.04 0.97 0.95 2b2fA1 VAL 215 HG23 0.03 0.04 0.08 -0.04 0.95 1.06 2b2fA1 ALA 216 H 0.05 0.04 -0.17 -0.55 8.40 7.78 2b2fA1 ALA 216 HA 0.20 0.13 0.49 -0.75 4.34 4.41 2b2fA1 ALA 216 HB3 0.12 0.06 0.22 -0.04 1.41 1.77 2b2fA1 ILE 217 H -0.03 0.41 -0.14 -0.55 8.25 7.94 2b2fA1 ILE 217 HA -0.04 0.02 0.38 -0.75 4.18 3.79 2b2fA1 ILE 217 HB -0.04 0.10 0.16 -0.04 1.89 2.07 2b2fA1 ILE 217 HG12 -0.10 -0.03 -0.00 -0.04 1.49 1.32 2b2fA1 ILE 217 HG13 -0.09 0.17 0.02 -0.04 1.21 1.28 2b2fA1 ILE 217 HG23 -0.03 -0.01 -0.10 -0.04 0.93 0.75 2b2fA1 ILE 217 HD13 -0.06 -0.02 -0.08 -0.04 0.88 0.67 2b2fA1 ASN 218 H -0.04 0.51 -0.20 -0.55 8.53 8.25 2b2fA1 ASN 218 HA -0.04 -0.07 0.45 -0.75 4.76 4.35 2b2fA1 ASN 218 HB2 -0.06 0.06 0.18 -0.04 2.88 3.02 2b2fA1 ASN 218 HB3 -0.11 0.14 0.21 -0.04 2.79 2.99 2b2fA1 ASN 218 HD21 -0.11 0.38 0.02 -0.04 7.03 7.29 2b2fA1 ASN 218 HD22 -0.19 0.23 -0.07 -0.04 7.74 7.66 2b2fA1 ALA 219 H -0.07 0.63 -0.13 -0.55 8.40 8.29 2b2fA1 ALA 219 HA -0.14 0.18 0.30 -0.75 4.34 3.93 2b2fA1 ALA 219 HB3 0.05 0.00 -0.11 -0.04 1.41 1.31 2b2fA1 VAL 220 H 0.03 0.56 -0.29 -0.55 8.24 7.99 2b2fA1 VAL 220 HA -0.04 -0.01 0.41 -0.75 4.13 3.73 2b2fA1 VAL 220 HB 0.04 0.13 0.17 -0.04 2.12 2.42 2b2fA1 VAL 220 HG13 0.06 -0.03 -0.10 -0.04 0.97 0.86 2b2fA1 VAL 220 HG23 0.18 0.02 0.06 -0.04 0.95 1.17 2b2fA1 VAL 221 H -0.02 0.54 -0.11 -0.55 8.24 8.11 2b2fA1 VAL 221 HA 0.01 0.01 0.46 -0.75 4.13 3.85 2b2fA1 VAL 221 HB -0.02 0.12 0.25 -0.04 2.12 2.42 2b2fA1 VAL 221 HG13 -0.00 -0.04 -0.11 -0.04 0.97 0.78 2b2fA1 VAL 221 HG23 0.00 0.06 0.06 -0.04 0.95 1.03 2b2fA1 VAL 222 H -0.05 0.74 0.04 -0.55 8.24 8.42 2b2fA1 VAL 222 HA -0.04 -0.06 0.40 -0.75 4.13 3.68 2b2fA1 VAL 222 HB -0.06 -0.11 -0.04 -0.04 2.12 1.87 2b2fA1 VAL 222 HG13 -0.05 0.02 -0.17 -0.04 0.97 0.73 2b2fA1 VAL 222 HG23 -0.10 0.12 0.02 -0.04 0.95 0.95 2b2fA1 THR 223 H -0.08 0.56 -0.33 -0.55 8.28 7.89 2b2fA1 THR 223 HA -0.19 -0.01 0.40 -0.75 4.39 3.83 2b2fA1 THR 223 HB -0.14 0.09 0.16 -0.04 4.32 4.38 2b2fA1 THR 223 HG23 -0.32 -0.01 -0.13 -0.04 1.22 0.71 2b2fA1 ASN 224 H -0.09 0.54 -0.11 -0.55 8.53 8.32 2b2fA1 ASN 224 HA 0.00 0.01 0.39 -0.75 4.76 4.40 2b2fA1 ASN 224 HB2 0.05 0.18 0.18 -0.04 2.88 3.24 2b2fA1 ASN 224 HB3 0.19 -0.07 0.01 -0.04 2.79 2.87 2b2fA1 ASN 224 HD21 -0.52 -0.08 0.02 -0.04 7.03 6.41 2b2fA1 ASN 224 HD22 -0.09 0.55 0.16 -0.04 7.74 8.31 2b2fA1 THR 225 H -0.03 0.44 -0.30 -0.55 8.28 7.83 2b2fA1 THR 225 HA 0.02 0.01 0.38 -0.75 4.39 4.04 2b2fA1 THR 225 HB -0.03 0.08 0.16 -0.04 4.32 4.48 2b2fA1 THR 225 HG23 -0.00 -0.01 -0.21 -0.04 1.22 0.96 2b2fA1 SER 226 H -0.09 0.73 -0.02 -0.55 8.46 8.53 2b2fA1 SER 226 HA -0.04 -0.02 0.41 -0.75 4.49 4.09 2b2fA1 SER 226 HB2 -0.08 -0.00 0.15 -0.04 3.95 3.98 2b2fA1 SER 226 HB3 -0.19 0.13 0.08 -0.04 3.93 3.91 2b2fA1 ALA 227 H -0.29 0.53 -0.34 -0.55 8.40 7.76 2b2fA1 ALA 227 HA -0.46 0.05 0.45 -0.75 4.34 3.63 2b2fA1 ALA 227 HB3 -0.99 0.02 0.06 -0.04 1.41 0.46 2b2fA1 ALA 228 H -0.01 0.61 -0.11 -0.55 8.40 8.34 2b2fA1 ALA 228 HA 0.23 -0.02 0.39 -0.75 4.34 4.19 2b2fA1 ALA 228 HB3 0.15 0.02 0.11 -0.04 1.41 1.65 2b2fA1 VAL 229 H 0.02 0.59 -0.13 -0.55 8.24 8.18 2b2fA1 VAL 229 HA 0.09 0.02 0.42 -0.75 4.13 3.91 2b2fA1 VAL 229 HB 0.03 0.04 0.15 -0.04 2.12 2.30 2b2fA1 VAL 229 HG13 0.09 0.03 -0.23 -0.04 0.97 0.82 2b2fA1 VAL 229 HG23 0.01 0.05 0.03 -0.04 0.95 1.00 2b2fA1 ALA 230 H 0.00 0.65 0.01 -0.55 8.40 8.52 2b2fA1 ALA 230 HA 0.15 0.01 0.46 -0.75 4.34 4.21 2b2fA1 ALA 230 HB3 -0.05 0.03 0.17 -0.04 1.41 1.52 2b2fA1 GLY 231 H 0.03 0.58 -0.33 -0.55 8.43 8.16 2b2fA1 GLY 231 HA2 0.02 -0.01 0.46 -0.51 4.01 3.98 2b2fA1 GLY 231 HA3 0.10 0.08 0.28 -0.51 4.01 3.96 2b2fA1 PHE 232 H 0.29 0.51 -0.24 -0.55 8.34 8.35 2b2fA1 PHE 232 HA 0.14 -0.00 0.46 -0.75 4.62 4.46 2b2fA1 PHE 232 HB2 0.10 0.10 0.16 -0.04 3.15 3.46 2b2fA1 PHE 232 HB3 0.09 0.16 0.20 -0.04 3.06 3.47 2b2fA1 PHE 232 HD2 0.10 0.02 -0.06 -0.04 7.28 7.29 2b2fA1 PHE 232 HE2 0.08 -0.00 -0.02 -0.04 7.38 7.39 2b2fA1 PHE 232 HZ 0.05 -0.00 -0.02 -0.04 7.32 7.31 2b2fA1 VAL 233 H 0.28 0.55 -0.12 -0.55 8.24 8.40 2b2fA1 VAL 233 HA 0.09 0.01 0.42 -0.75 4.13 3.89 2b2fA1 VAL 233 HB 0.30 0.14 0.22 -0.04 2.12 2.75 2b2fA1 VAL 233 HG13 0.05 -0.02 -0.18 -0.04 0.97 0.77 2b2fA1 VAL 233 HG23 0.17 0.08 0.07 -0.04 0.95 1.24 2b2fA1 TRP 234 H 0.51 0.55 -0.12 -0.55 7.97 8.37 2b2fA1 TRP 234 HA 0.00 0.01 0.37 -0.75 4.62 4.25 2b2fA1 TRP 234 HB2 0.05 0.10 0.16 -0.04 3.23 3.50 2b2fA1 TRP 234 HB3 0.08 -0.08 -0.13 -0.04 3.23 3.06 2b2fA1 TRP 234 HD1 0.05 0.04 0.15 -0.04 7.22 7.42 2b2fA1 TRP 234 HE1 0.07 0.15 0.21 -0.04 10.20 10.59 2b2fA1 TRP 234 HE3 0.13 -0.11 0.08 -0.04 7.59 7.64 2b2fA1 TRP 234 HZ2 0.01 -0.04 -0.41 -0.04 7.44 6.96 2b2fA1 TRP 234 HZ3 -0.02 -0.03 -0.04 -0.04 7.13 7.00 2b2fA1 TRP 234 HH2 -0.09 -0.00 -0.11 -0.04 7.19 6.95 2b2fA1 MET 235 H 0.13 0.41 -0.46 -0.55 8.47 8.00 2b2fA1 MET 235 HA -0.02 -0.03 0.40 -0.75 4.52 4.11 2b2fA1 MET 235 HB2 0.04 0.12 0.15 -0.04 2.15 2.42 2b2fA1 MET 235 HB3 -0.14 0.14 0.15 -0.04 2.03 2.14 2b2fA1 MET 235 HG2 -0.09 -0.02 -0.06 -0.04 2.63 2.42 2b2fA1 MET 235 HG3 -0.16 -0.04 0.03 -0.04 2.56 2.35 2b2fA1 MET 235 HE3 0.15 -0.00 -0.03 -0.04 2.10 2.18 2b2fA1 VAL 236 H -0.13 0.61 -0.08 -0.55 8.24 8.09 2b2fA1 VAL 236 HA 0.11 0.01 0.40 -0.75 4.13 3.89 2b2fA1 VAL 236 HB -0.09 0.13 0.20 -0.04 2.12 2.32 2b2fA1 VAL 236 HG13 -0.04 -0.02 -0.10 -0.04 0.97 0.77 2b2fA1 VAL 236 HG23 -0.41 0.07 0.05 -0.04 0.95 0.62 2b2fA1 ILE 237 H -0.12 0.67 -0.05 -0.55 8.25 8.20 2b2fA1 ILE 237 HA -0.20 0.01 0.37 -0.75 4.18 3.60 2b2fA1 ILE 237 HB -0.49 0.06 0.10 -0.04 1.89 1.52 2b2fA1 ILE 237 HG12 -0.41 -0.04 -0.00 -0.04 1.49 1.00 2b2fA1 ILE 237 HG13 -0.27 0.17 0.04 -0.04 1.21 1.11 2b2fA1 ILE 237 HG23 -1.21 -0.01 -0.14 -0.04 0.93 -0.47 2b2fA1 ILE 237 HD13 -0.78 -0.03 -0.11 -0.04 0.88 -0.07 2b2fA1 GLY 238 H -0.06 0.62 -0.33 -0.55 8.43 8.12 2b2fA1 GLY 238 HA2 -0.03 -0.02 0.26 -0.51 4.01 3.72 2b2fA1 GLY 238 HA3 -0.06 -0.02 0.22 -0.51 4.01 3.63 2b2fA1 TRP 239 H 0.14 0.47 -0.31 -0.55 7.97 7.72 2b2fA1 TRP 239 HA -0.03 0.15 0.29 -0.75 4.62 4.28 2b2fA1 TRP 239 HB2 -0.08 0.08 0.17 -0.04 3.23 3.36 2b2fA1 TRP 239 HB3 -0.05 -0.02 -0.05 -0.04 3.23 3.06 2b2fA1 TRP 239 HD1 -0.02 0.18 0.18 -0.04 7.22 7.52 2b2fA1 TRP 239 HE1 -0.01 -0.04 0.06 -0.04 10.20 10.17 2b2fA1 TRP 239 HE3 -0.10 0.05 -0.11 -0.04 7.59 7.38 2b2fA1 TRP 239 HZ2 0.00 -0.03 0.02 -0.04 7.44 7.39 2b2fA1 TRP 239 HZ3 -0.05 -0.04 -0.03 -0.04 7.13 6.97 2b2fA1 TRP 239 HH2 0.01 -0.03 0.00 -0.04 7.19 7.12 2b2fA1 ILE 240 H 0.09 0.59 -0.09 -0.55 8.25 8.30 2b2fA1 ILE 240 HA 0.04 -0.02 0.40 -0.75 4.18 3.85 2b2fA1 ILE 240 HB -0.07 0.08 0.17 -0.04 1.89 2.04 2b2fA1 ILE 240 HG12 -0.02 -0.06 0.03 -0.04 1.49 1.40 2b2fA1 ILE 240 HG13 0.01 0.19 0.03 -0.04 1.21 1.39 2b2fA1 ILE 240 HG23 -0.04 -0.03 -0.09 -0.04 0.93 0.72 2b2fA1 ILE 240 HD13 -0.07 -0.04 -0.08 -0.04 0.88 0.66 2b2fA1 LYS 241 H 0.00 0.43 -0.43 -0.55 8.42 7.87 2b2fA1 LYS 241 HA 0.01 0.12 0.78 -0.75 4.32 4.47 2b2fA1 LYS 241 HB2 -0.00 0.03 -0.00 -0.04 1.87 1.85 2b2fA1 LYS 241 HB3 0.01 -0.08 0.12 -0.04 1.79 1.80 2b2fA1 LYS 241 HG2 -0.05 -0.03 -0.20 -0.04 1.46 1.14 2b2fA1 LYS 241 HG3 -0.12 0.21 -0.03 -0.04 1.46 1.48 2b2fA1 LYS 241 HD2 0.05 -0.04 -0.05 -0.04 1.69 1.61 2b2fA1 LYS 241 HD3 0.02 -0.01 -0.01 -0.04 1.68 1.63 2b2fA1 LYS 241 HE2 -0.14 0.00 -0.06 -0.04 2.99 2.76 2b2fA1 LYS 241 HE3 -0.14 -0.04 -0.05 -0.04 2.99 2.72 2b2fA1 GLY 242 H 0.07 0.38 -0.38 -0.55 8.43 7.96 2b2fA1 GLY 242 HA2 0.05 -0.04 0.31 -0.51 4.01 3.82 2b2fA1 GLY 242 HA3 0.02 -0.03 0.66 -0.51 4.01 4.15 2b2fA1 LYS 243 H -0.03 0.12 0.15 -0.55 8.42 8.10 2b2fA1 LYS 243 HA -0.22 0.24 0.89 -0.75 4.32 4.47 2b2fA1 LYS 243 HB2 -0.07 -0.07 0.02 -0.04 1.87 1.71 2b2fA1 LYS 243 HB3 -0.15 0.01 -0.05 -0.04 1.79 1.55 2b2fA1 LYS 243 HG2 0.01 -0.03 -0.22 -0.04 1.46 1.18 2b2fA1 LYS 243 HG3 -0.01 -0.04 -0.04 -0.04 1.46 1.33 2b2fA1 LYS 243 HD2 0.01 -0.04 0.02 -0.04 1.69 1.64 2b2fA1 LYS 243 HD3 0.09 0.20 0.03 -0.04 1.68 1.96 2b2fA1 LYS 243 HE2 0.09 0.03 -0.06 -0.04 2.99 3.01 2b2fA1 LYS 243 HE3 0.06 -0.05 -0.03 -0.04 2.99 2.93 2b2fA1 PRO 244 HA -0.23 0.06 0.58 -0.51 4.44 4.34 2b2fA1 PRO 244 HB2 -0.47 -0.03 0.10 -0.04 2.28 1.83 2b2fA1 PRO 244 HB3 -0.74 0.21 0.12 -0.04 2.02 1.56 2b2fA1 PRO 244 HG2 -0.75 -0.03 0.14 -0.04 2.03 1.35 2b2fA1 PRO 244 HG3 -2.46 0.05 0.08 -0.04 2.03 -0.35 2b2fA1 PRO 244 HD2 -0.73 0.07 0.16 -0.04 3.68 3.14 2b2fA1 PRO 244 HD3 -2.03 0.21 0.11 -0.04 3.65 1.90 2b2fA1 GLY 245 H -0.07 0.28 0.24 -0.55 8.43 8.34 2b2fA1 GLY 245 HA2 -0.06 0.10 0.46 -0.51 4.01 4.01 2b2fA1 GLY 245 HA3 -0.01 0.02 0.36 -0.51 4.01 3.86 2b2fA1 SER 246 H -0.02 0.19 0.19 -0.55 8.46 8.28 2b2fA1 SER 246 HA 0.01 0.14 0.42 -0.75 4.49 4.31 2b2fA1 SER 246 HB2 0.02 0.02 0.05 -0.04 3.95 4.01 2b2fA1 SER 246 HB3 -0.01 0.08 0.13 -0.04 3.93 4.09 2b2fA1 LEU 247 H 0.03 0.09 -0.16 -0.55 8.37 7.79 2b2fA1 LEU 247 HA 0.06 0.09 0.38 -0.75 4.35 4.13 2b2fA1 LEU 247 HB2 0.05 -0.01 0.04 -0.04 1.64 1.69 2b2fA1 LEU 247 HB3 0.04 0.10 -0.01 -0.04 1.64 1.73 2b2fA1 LEU 247 HG 0.00 -0.10 0.05 -0.04 1.64 1.55 2b2fA1 LEU 247 HD13 -0.01 0.04 0.02 -0.04 0.93 0.93 2b2fA1 LEU 247 HD23 -0.04 0.01 -0.03 -0.04 0.89 0.79 2b2fA1 GLY 248 H 0.12 0.11 -0.33 -0.55 8.43 7.79 2b2fA1 GLY 248 HA2 0.47 0.08 0.38 -0.51 4.01 4.43 2b2fA1 GLY 248 HA3 0.37 0.11 0.24 -0.51 4.01 4.22 2b2fA1 ILE 249 H 0.10 0.35 -0.27 -0.55 8.25 7.88 2b2fA1 ILE 249 HA 0.14 0.10 0.37 -0.75 4.18 4.04 2b2fA1 ILE 249 HB 0.06 0.07 0.17 -0.04 1.89 2.15 2b2fA1 ILE 249 HG12 0.04 0.01 -0.01 -0.04 1.49 1.49 2b2fA1 ILE 249 HG13 0.03 0.11 -0.06 -0.04 1.21 1.24 2b2fA1 ILE 249 HG23 0.11 -0.00 -0.13 -0.04 0.93 0.87 2b2fA1 ILE 249 HD13 -0.04 -0.02 -0.09 -0.04 0.88 0.69 2b2fA1 VAL 250 H 0.08 0.58 -0.03 -0.55 8.24 8.32 2b2fA1 VAL 250 HA 0.08 0.03 0.46 -0.75 4.13 3.94 2b2fA1 VAL 250 HB 0.18 -0.03 0.05 -0.04 2.12 2.28 2b2fA1 VAL 250 HG13 0.15 0.02 0.02 -0.04 0.97 1.12 2b2fA1 VAL 250 HG23 0.23 0.05 -0.02 -0.04 0.95 1.17 2b2fA1 SER 251 H -0.05 0.51 -0.32 -0.55 8.46 8.06 2b2fA1 SER 251 HA -0.14 0.02 0.45 -0.75 4.49 4.06 2b2fA1 SER 251 HB2 -0.37 0.07 0.15 -0.04 3.95 3.76 2b2fA1 SER 251 HB3 -0.56 -0.06 -0.01 -0.04 3.93 3.27 2b2fA1 GLY 252 H -0.56 0.60 -0.20 -0.55 8.43 7.72 2b2fA1 GLY 252 HA2 -1.78 0.02 0.42 -0.51 4.01 2.16 2b2fA1 GLY 252 HA3 -0.81 0.13 0.29 -0.51 4.01 3.11 2b2fA1 ALA 253 H -0.23 0.49 -0.10 -0.55 8.40 8.01 2b2fA1 ALA 253 HA -0.30 0.19 0.48 -0.75 4.34 3.96 2b2fA1 ALA 253 HB3 -0.22 0.02 0.09 -0.04 1.41 1.26 2b2fA1 ILE 254 H -0.36 0.59 -0.26 -0.55 8.25 7.67 2b2fA1 ILE 254 HA -0.58 -0.02 0.38 -0.75 4.18 3.21 2b2fA1 ILE 254 HB -0.32 0.14 0.10 -0.04 1.89 1.78 2b2fA1 ILE 254 HG12 -0.26 -0.07 -0.02 -0.04 1.49 1.10 2b2fA1 ILE 254 HG13 -0.25 0.16 0.09 -0.04 1.21 1.17 2b2fA1 ILE 254 HG23 -0.24 -0.02 -0.11 -0.04 0.93 0.52 2b2fA1 ILE 254 HD13 -0.56 -0.02 -0.07 -0.04 0.88 0.18 2b2fA1 ALA 255 H -0.47 0.45 -0.35 -0.55 8.40 7.49 2b2fA1 ALA 255 HA -0.29 0.05 0.41 -0.75 4.34 3.75 2b2fA1 ALA 255 HB3 -0.22 0.06 0.07 -0.04 1.41 1.27 2b2fA1 GLY 256 H -0.32 0.53 -0.22 -0.55 8.43 7.87 2b2fA1 GLY 256 HA2 -0.12 -0.03 0.35 -0.51 4.01 3.70 2b2fA1 GLY 256 HA3 -0.24 0.17 0.15 -0.51 4.01 3.57 2b2fA1 LEU 257 H -0.66 0.48 -0.20 -0.55 8.37 7.44 2b2fA1 LEU 257 HA -0.85 0.02 0.42 -0.75 4.35 3.20 2b2fA1 LEU 257 HB2 -1.47 0.09 0.12 -0.04 1.64 0.34 2b2fA1 LEU 257 HB3 -3.32 -0.05 -0.04 -0.04 1.64 -1.81 2b2fA1 LEU 257 HG -1.11 0.13 -0.00 -0.04 1.64 0.62 2b2fA1 LEU 257 HD13 -0.96 -0.02 -0.12 -0.04 0.93 -0.21 2b2fA1 LEU 257 HD23 -1.21 -0.00 -0.05 -0.04 0.89 -0.41 2b2fA1 ALA 258 H -0.54 0.67 -0.17 -0.55 8.40 7.82 2b2fA1 ALA 258 HA -0.44 -0.01 0.37 -0.75 4.34 3.51 2b2fA1 ALA 258 HB3 -0.35 0.03 0.06 -0.04 1.41 1.11 2b2fA1 ALA 259 H -0.18 0.55 -0.21 -0.55 8.40 8.01 2b2fA1 ALA 259 HA -0.02 0.16 0.38 -0.75 4.34 4.10 2b2fA1 ALA 259 HB3 0.07 -0.01 0.10 -0.04 1.41 1.52 2b2fA1 ILE 260 H -0.16 0.51 -0.26 -0.55 8.25 7.79 2b2fA1 ILE 260 HA -0.07 0.02 0.46 -0.75 4.18 3.84 2b2fA1 ILE 260 HB -0.13 0.06 0.08 -0.04 1.89 1.85 2b2fA1 ILE 260 HG12 -0.10 0.09 -0.36 -0.04 1.49 1.07 2b2fA1 ILE 260 HG13 -0.06 -0.13 -0.10 -0.04 1.21 0.89 2b2fA1 ILE 260 HG23 -0.22 0.04 -0.02 -0.04 0.93 0.69 2b2fA1 ILE 260 HD13 -0.06 -0.01 -0.09 -0.04 0.88 0.68 2b2fA1 THR 261 H 0.06 0.43 -0.39 -0.55 8.28 7.83 2b2fA1 THR 261 HA 0.40 0.02 0.31 -0.75 4.39 4.37 2b2fA1 THR 261 HB 0.40 0.25 0.01 -0.04 4.32 4.95 2b2fA1 THR 261 HG23 0.78 -0.08 -0.53 -0.04 1.22 1.35 2b2fA1 PRO 262 HA 0.34 -0.26 0.62 -0.51 4.44 4.63 2b2fA1 PRO 262 HB2 0.14 0.17 0.04 -0.04 2.28 2.59 2b2fA1 PRO 262 HB3 0.20 -0.28 0.21 -0.04 2.02 2.11 2b2fA1 PRO 262 HG2 0.02 0.21 -0.27 -0.04 2.03 1.95 2b2fA1 PRO 262 HG3 0.07 0.08 -0.12 -0.04 2.03 2.02 2b2fA1 PRO 262 HD2 0.09 0.28 -0.49 -0.04 3.68 3.52 2b2fA1 PRO 262 HD3 0.25 0.11 0.08 -0.04 3.65 4.05 2b2fA1 ALA 263 H 0.09 0.40 -0.44 -0.55 8.40 7.91 2b2fA1 ALA 263 HA 0.22 0.15 0.92 -0.75 4.34 4.88 2b2fA1 ALA 263 HB3 -0.01 0.02 -0.02 -0.04 1.41 1.35 2b2fA1 ALA 264 H 0.05 0.42 0.00 -0.55 8.40 8.33 2b2fA1 ALA 264 HA -0.14 -0.01 0.27 -0.75 4.34 3.70 2b2fA1 ALA 264 HB3 0.10 0.01 0.02 -0.04 1.41 1.50 2b2fA1 GLY 265 H -1.58 0.06 -0.37 -0.55 8.43 5.99 2b2fA1 GLY 265 HA2 -0.75 0.19 0.73 -0.51 4.01 3.67 2b2fA1 GLY 265 HA3 -1.92 0.02 0.28 -0.51 4.01 1.88 2b2fA1 PHE 266 H -0.37 0.56 -0.11 -0.55 8.34 7.87 2b2fA1 PHE 266 HA -0.09 0.23 1.01 -0.75 4.62 5.02 2b2fA1 PHE 266 HB2 -0.09 0.01 0.03 -0.04 3.15 3.06 2b2fA1 PHE 266 HB3 -0.05 -0.04 0.02 -0.04 3.06 2.94 2b2fA1 PHE 266 HD2 0.02 0.06 -0.00 -0.04 7.28 7.31 2b2fA1 PHE 266 HE2 0.13 -0.01 -0.02 -0.04 7.38 7.43 2b2fA1 PHE 266 HZ 0.09 0.04 -0.07 -0.04 7.32 7.35 2b2fA1 VAL 267 H -0.07 0.28 0.06 -0.55 8.24 7.96 2b2fA1 VAL 267 HA -0.05 0.16 0.94 -0.75 4.13 4.42 2b2fA1 VAL 267 HB -0.00 -0.13 0.03 -0.04 2.12 1.98 2b2fA1 VAL 267 HG13 0.00 0.03 -0.29 -0.04 0.97 0.67 2b2fA1 VAL 267 HG23 -0.05 0.05 -0.23 -0.04 0.95 0.68 2b2fA1 ASP 268 H -0.01 0.09 0.18 -0.55 8.40 8.11 2b2fA1 ASP 268 HA -0.03 0.31 0.78 -0.75 4.63 4.94 2b2fA1 ASP 268 HB2 0.01 -0.04 0.19 -0.04 2.71 2.82 2b2fA1 ASP 268 HB3 -0.01 0.13 0.07 -0.04 2.70 2.85 2b2fA1 VAL 269 H 0.00 0.24 0.15 -0.55 8.24 8.08 2b2fA1 VAL 269 HA -0.00 0.11 0.34 -0.75 4.13 3.83 2b2fA1 VAL 269 HB 0.00 0.07 0.12 -0.04 2.12 2.27 2b2fA1 VAL 269 HG13 0.01 0.02 -0.01 -0.04 0.97 0.95 2b2fA1 VAL 269 HG23 0.00 0.02 -0.04 -0.04 0.95 0.90 2b2fA1 LYS 270 H 0.03 0.11 -0.15 -0.55 8.42 7.85 2b2fA1 LYS 270 HA 0.03 0.12 0.45 -0.75 4.32 4.17 2b2fA1 LYS 270 HB2 0.07 -0.03 0.07 -0.04 1.87 1.94 2b2fA1 LYS 270 HB3 0.06 0.07 0.00 -0.04 1.79 1.88 2b2fA1 LYS 270 HG2 0.03 0.05 0.02 -0.04 1.46 1.52 2b2fA1 LYS 270 HG3 0.03 -0.07 0.03 -0.04 1.46 1.42 2b2fA1 LYS 270 HD2 0.03 0.03 0.01 -0.04 1.69 1.72 2b2fA1 LYS 270 HD3 0.05 0.00 0.02 -0.04 1.68 1.71 2b2fA1 LYS 270 HE2 0.04 0.00 -0.01 -0.04 2.99 2.98 2b2fA1 LYS 270 HE3 0.03 0.01 0.00 -0.04 2.99 2.98 2b2fA1 GLY 271 H 0.06 0.06 -0.26 -0.55 8.43 7.74 2b2fA1 GLY 271 HA2 0.09 0.08 0.43 -0.51 4.01 4.10 2b2fA1 GLY 271 HA3 0.06 0.06 0.29 -0.51 4.01 3.91 2b2fA1 ALA 272 H 0.02 0.52 -0.21 -0.55 8.40 8.18 2b2fA1 ALA 272 HA -0.00 0.02 0.35 -0.75 4.34 3.95 2b2fA1 ALA 272 HB3 -0.02 0.06 0.06 -0.04 1.41 1.47 2b2fA1 ILE 273 H 0.03 0.46 -0.27 -0.55 8.25 7.92 2b2fA1 ILE 273 HA 0.03 0.02 0.39 -0.75 4.18 3.88 2b2fA1 ILE 273 HB 0.04 0.14 0.17 -0.04 1.89 2.20 2b2fA1 ILE 273 HG12 0.01 -0.03 -0.01 -0.04 1.49 1.42 2b2fA1 ILE 273 HG13 0.02 0.25 0.07 -0.04 1.21 1.51 2b2fA1 ILE 273 HG23 0.03 -0.01 -0.11 -0.04 0.93 0.80 2b2fA1 ILE 273 HD13 0.01 -0.03 -0.04 -0.04 0.88 0.78 2b2fA1 VAL 274 H 0.08 0.43 -0.15 -0.55 8.24 8.05 2b2fA1 VAL 274 HA 0.11 0.03 0.41 -0.75 4.13 3.92 2b2fA1 VAL 274 HB 0.15 0.10 0.16 -0.04 2.12 2.50 2b2fA1 VAL 274 HG13 0.26 -0.01 -0.11 -0.04 0.97 1.06 2b2fA1 VAL 274 HG23 0.09 0.05 0.05 -0.04 0.95 1.09 2b2fA1 ILE 275 H 0.15 0.61 -0.11 -0.55 8.25 8.35 2b2fA1 ILE 275 HA 0.70 -0.01 0.34 -0.75 4.18 4.45 2b2fA1 ILE 275 HB 0.04 0.09 0.12 -0.04 1.89 2.10 2b2fA1 ILE 275 HG12 -0.31 -0.05 -0.03 -0.04 1.49 1.06 2b2fA1 ILE 275 HG13 0.02 0.12 0.04 -0.04 1.21 1.34 2b2fA1 ILE 275 HG23 -0.05 -0.00 -0.27 -0.04 0.93 0.56 2b2fA1 ILE 275 HD13 -0.12 -0.01 -0.16 -0.04 0.88 0.55 2b2fA1 GLY 276 H 0.10 0.59 -0.14 -0.55 8.43 8.43 2b2fA1 GLY 276 HA2 0.08 0.02 0.47 -0.51 4.01 4.06 2b2fA1 GLY 276 HA3 0.04 0.07 0.42 -0.51 4.01 4.04 2b2fA1 LEU 277 H 0.11 0.55 -0.19 -0.55 8.37 8.29 2b2fA1 LEU 277 HA 0.09 0.01 0.36 -0.75 4.35 4.05 2b2fA1 LEU 277 HB2 0.07 0.22 0.17 -0.04 1.64 2.07 2b2fA1 LEU 277 HB3 0.05 0.03 0.11 -0.04 1.64 1.79 2b2fA1 LEU 277 HG 0.07 -0.01 0.02 -0.04 1.64 1.68 2b2fA1 LEU 277 HD13 0.04 -0.01 -0.03 -0.04 0.93 0.89 2b2fA1 LEU 277 HD23 0.04 -0.02 -0.04 -0.04 0.89 0.83 2b2fA1 VAL 278 H 0.07 0.66 -0.02 -0.55 8.24 8.41 2b2fA1 VAL 278 HA -0.21 0.01 0.46 -0.75 4.13 3.64 2b2fA1 VAL 278 HB -0.52 0.09 0.09 -0.04 2.12 1.73 2b2fA1 VAL 278 HG13 -1.35 -0.02 -0.08 -0.04 0.97 -0.51 2b2fA1 VAL 278 HG23 -0.18 0.04 0.04 -0.04 0.95 0.80 2b2fA1 ALA 279 H 0.14 0.60 -0.16 -0.55 8.40 8.44 2b2fA1 ALA 279 HA 0.03 -0.03 0.39 -0.75 4.34 3.97 2b2fA1 ALA 279 HB3 0.23 0.04 0.04 -0.04 1.41 1.68 2b2fA1 GLY 280 H 0.12 0.58 -0.17 -0.55 8.43 8.42 2b2fA1 GLY 280 HA2 0.50 0.01 0.43 -0.51 4.01 4.44 2b2fA1 GLY 280 HA3 0.30 0.06 0.38 -0.51 4.01 4.24 2b2fA1 ILE 281 H 0.03 0.40 -0.21 -0.55 8.25 7.92 2b2fA1 ILE 281 HA -0.05 0.03 0.45 -0.75 4.18 3.85 2b2fA1 ILE 281 HB -0.10 0.08 0.21 -0.04 1.89 2.04 2b2fA1 ILE 281 HG12 -0.07 -0.04 0.02 -0.04 1.49 1.36 2b2fA1 ILE 281 HG13 -0.01 0.13 0.11 -0.04 1.21 1.39 2b2fA1 ILE 281 HG23 -0.08 -0.02 -0.11 -0.04 0.93 0.68 2b2fA1 ILE 281 HD13 -0.05 -0.02 -0.02 -0.04 0.88 0.75 2b2fA1 VAL 282 H -0.11 0.75 0.11 -0.55 8.24 8.45 2b2fA1 VAL 282 HA -0.05 -0.00 0.39 -0.75 4.13 3.71 2b2fA1 VAL 282 HB -0.09 -0.05 0.02 -0.04 2.12 1.97 2b2fA1 VAL 282 HG13 -0.25 0.01 0.04 -0.04 0.97 0.73 2b2fA1 VAL 282 HG23 -0.15 0.11 0.01 -0.04 0.95 0.89 2b2fA1 CYS 283 H 0.11 0.67 -0.16 -0.55 8.50 8.57 2b2fA1 CYS 283 HA 0.02 0.06 0.48 -0.75 4.58 4.38 2b2fA1 CYS 283 HB2 0.36 0.16 0.13 -0.04 2.97 3.57 2b2fA1 CYS 283 HB3 0.23 -0.09 -0.02 -0.04 2.97 3.05 2b2fA1 TYR 284 H 0.26 0.49 -0.22 -0.55 8.29 8.26 2b2fA1 TYR 284 HA -0.32 -0.01 0.43 -0.75 4.56 3.91 2b2fA1 TYR 284 HB2 -1.01 0.14 0.17 -0.04 3.06 2.33 2b2fA1 TYR 284 HB3 -0.36 0.09 0.17 -0.04 2.98 2.84 2b2fA1 TYR 284 HD2 -1.46 0.01 -0.17 -0.04 7.15 5.48 2b2fA1 TYR 284 HE2 -0.34 -0.01 -0.04 -0.04 6.85 6.42 2b2fA1 LEU 285 H 0.08 0.58 -0.10 -0.55 8.37 8.38 2b2fA1 LEU 285 HA 0.11 0.01 0.40 -0.75 4.35 4.11 2b2fA1 LEU 285 HB2 0.01 0.12 0.17 -0.04 1.64 1.90 2b2fA1 LEU 285 HB3 0.03 -0.06 0.01 -0.04 1.64 1.58 2b2fA1 LEU 285 HG 0.01 0.23 0.05 -0.04 1.64 1.88 2b2fA1 LEU 285 HD13 -0.03 -0.03 -0.06 -0.04 0.93 0.77 2b2fA1 LEU 285 HD23 0.04 -0.02 -0.01 -0.04 0.89 0.86 2b2fA1 ALA 286 H 0.03 0.66 -0.14 -0.55 8.40 8.40 2b2fA1 ALA 286 HA 0.23 -0.01 0.41 -0.75 4.34 4.21 2b2fA1 ALA 286 HB3 -0.30 0.03 0.13 -0.04 1.41 1.23 2b2fA1 MET 287 H 0.06 0.61 -0.19 -0.55 8.47 8.41 2b2fA1 MET 287 HA 0.20 -0.07 0.45 -0.75 4.52 4.34 2b2fA1 MET 287 HB2 0.15 -0.01 0.10 -0.04 2.15 2.36 2b2fA1 MET 287 HB3 -0.21 0.19 0.20 -0.04 2.03 2.17 2b2fA1 MET 287 HG2 -0.04 0.02 -0.29 -0.04 2.63 2.28 2b2fA1 MET 287 HG3 0.10 -0.06 0.00 -0.04 2.56 2.56 2b2fA1 MET 287 HE3 -0.74 0.00 -0.02 -0.04 2.10 1.31 2b2fA1 ASP 288 H -0.07 0.61 -0.05 -0.55 8.40 8.34 2b2fA1 ASP 288 HA -0.01 0.02 0.41 -0.75 4.63 4.29 2b2fA1 ASP 288 HB2 0.07 0.12 0.20 -0.04 2.71 3.06 2b2fA1 ASP 288 HB3 0.08 -0.04 -0.02 -0.04 2.70 2.68 2b2fA1 PHE 289 H 0.29 0.60 -0.21 -0.55 8.34 8.47 2b2fA1 PHE 289 HA 0.06 0.02 0.47 -0.75 4.62 4.42 2b2fA1 PHE 289 HB2 0.11 0.05 0.10 -0.04 3.15 3.37 2b2fA1 PHE 289 HB3 0.22 0.07 0.16 -0.04 3.06 3.48 2b2fA1 PHE 289 HD2 0.12 0.01 -0.05 -0.04 7.28 7.32 2b2fA1 PHE 289 HE2 0.02 -0.00 -0.04 -0.04 7.38 7.32 2b2fA1 PHE 289 HZ 0.03 0.00 -0.03 -0.04 7.32 7.28 2b2fA1 ARG 290 H 0.33 0.61 -0.01 -0.55 8.46 8.84 2b2fA1 ARG 290 HA -0.18 0.02 0.45 -0.75 4.34 3.88 2b2fA1 ARG 290 HB2 -0.06 -0.06 0.10 -0.04 1.90 1.84 2b2fA1 ARG 290 HB3 0.20 -0.02 0.12 -0.04 1.80 2.06 2b2fA1 ARG 290 HG2 0.41 -0.19 0.06 -0.04 1.67 1.90 2b2fA1 ARG 290 HG3 0.22 0.33 0.18 -0.04 1.67 2.35 2b2fA1 ARG 290 HD2 0.09 0.09 -0.47 -0.04 3.22 2.90 2b2fA1 ARG 290 HD3 0.08 -0.15 -0.04 -0.04 3.22 3.08 2b2fA1 ILE 291 H 0.06 0.39 -0.41 -0.55 8.25 7.74 2b2fA1 ILE 291 HA 0.08 0.06 0.46 -0.75 4.18 4.02 2b2fA1 ILE 291 HB 0.02 0.16 0.18 -0.04 1.89 2.21 2b2fA1 ILE 291 HG12 0.09 -0.04 -0.01 -0.04 1.49 1.49 2b2fA1 ILE 291 HG13 0.08 0.24 0.07 -0.04 1.21 1.55 2b2fA1 ILE 291 HG23 -0.02 -0.02 -0.10 -0.04 0.93 0.75 2b2fA1 ILE 291 HD13 0.00 -0.04 -0.07 -0.04 0.88 0.73 2b2fA1 LYS 292 H -0.05 0.51 -0.01 -0.55 8.42 8.32 2b2fA1 LYS 292 HA -0.05 0.02 0.41 -0.75 4.32 3.95 2b2fA1 LYS 292 HB2 -0.02 0.01 0.14 -0.04 1.87 1.96 2b2fA1 LYS 292 HB3 -0.19 0.10 0.20 -0.04 1.79 1.87 2b2fA1 LYS 292 HG2 -0.10 0.01 -0.24 -0.04 1.46 1.09 2b2fA1 LYS 292 HG3 -0.03 -0.03 0.05 -0.04 1.46 1.41 2b2fA1 LYS 292 HD2 0.02 -0.04 -0.02 -0.04 1.69 1.62 2b2fA1 LYS 292 HD3 0.06 -0.01 -0.00 -0.04 1.68 1.68 2b2fA1 LYS 292 HE2 -0.15 0.04 -0.01 -0.04 2.99 2.83 2b2fA1 LYS 292 HE3 -0.07 -0.00 -0.08 -0.04 2.99 2.80 2b2fA1 LYS 293 H -0.29 0.49 -0.23 -0.55 8.42 7.84 2b2fA1 LYS 293 HA -0.16 0.05 0.45 -0.75 4.32 3.91 2b2fA1 LYS 293 HB2 -0.33 0.01 0.08 -0.04 1.87 1.59 2b2fA1 LYS 293 HB3 -0.22 -0.05 0.12 -0.04 1.79 1.60 2b2fA1 LYS 293 HG2 -1.16 0.19 0.05 -0.04 1.46 0.50 2b2fA1 LYS 293 HG3 -0.67 -0.08 -0.00 -0.04 1.46 0.67 2b2fA1 LYS 293 HD2 -0.18 -0.02 0.01 -0.04 1.69 1.46 2b2fA1 LYS 293 HD3 -0.24 0.05 -0.13 -0.04 1.68 1.31 2b2fA1 LYS 293 HE2 -0.38 -0.00 -0.03 -0.04 2.99 2.54 2b2fA1 LYS 293 HE3 -0.02 -0.04 -0.02 -0.04 2.99 2.87 2b2fA1 LYS 294 H -0.04 0.42 -0.93 -0.55 8.42 7.32 2b2fA1 LYS 294 HA 0.14 0.09 0.25 -0.75 4.32 4.05 2b2fA1 LYS 294 HB2 0.01 0.11 -0.32 -0.04 1.87 1.63 2b2fA1 LYS 294 HB3 0.11 -0.13 0.20 -0.04 1.79 1.93 2b2fA1 LYS 294 HG2 -0.03 -0.06 0.02 -0.04 1.46 1.35 2b2fA1 LYS 294 HG3 -0.03 0.21 -0.03 -0.04 1.46 1.57 2b2fA1 LYS 294 HD2 -0.02 0.04 -0.05 -0.04 1.69 1.62 2b2fA1 LYS 294 HD3 0.00 -0.08 -0.02 -0.04 1.68 1.55 2b2fA1 LYS 294 HE2 -0.02 -0.05 0.00 -0.04 2.99 2.88 2b2fA1 LYS 294 HE3 -0.03 -0.07 0.01 -0.04 2.99 2.85 2b2fA1 ILE 295 H 0.00 0.49 -0.18 -0.55 8.25 8.01 2b2fA1 ILE 295 HA -0.06 0.11 0.67 -0.75 4.18 4.15 2b2fA1 ILE 295 HB -0.11 -0.03 0.10 -0.04 1.89 1.80 2b2fA1 ILE 295 HG12 -0.09 0.04 -0.06 -0.04 1.49 1.34 2b2fA1 ILE 295 HG13 -0.12 0.11 -0.19 -0.04 1.21 0.97 2b2fA1 ILE 295 HG23 -0.14 -0.04 -0.18 -0.04 0.93 0.54 2b2fA1 ILE 295 HD13 -0.21 -0.03 -0.01 -0.04 0.88 0.59 2b2fA1 ASP 296 H -0.27 0.22 -0.01 -0.55 8.40 7.79 2b2fA1 ASP 296 HA -0.68 0.19 0.54 -0.75 4.63 3.93 2b2fA1 ASP 296 HB2 -1.21 0.01 0.10 -0.04 2.71 1.57 2b2fA1 ASP 296 HB3 -0.46 0.13 0.15 -0.04 2.70 2.48 2b2fA1 GLU 297 H -0.10 0.54 -0.43 -0.55 8.60 8.06 2b2fA1 GLU 297 HA -0.07 0.15 0.56 -0.75 4.29 4.17 2b2fA1 GLU 297 HB2 -0.07 0.08 -0.03 -0.04 2.09 2.04 2b2fA1 GLU 297 HB3 0.06 -0.03 0.14 -0.04 1.99 2.11 2b2fA1 GLU 297 HG2 0.01 0.23 -0.19 -0.04 2.34 2.35 2b2fA1 GLU 297 HG3 0.11 -0.04 -0.06 -0.04 2.34 2.31 2b2fA1 SER 298 H -0.15 0.59 -0.71 -0.55 8.46 7.64 2b2fA1 SER 298 HA -0.07 0.04 0.26 -0.75 4.49 3.97 2b2fA1 SER 298 HB2 -0.14 0.29 0.19 -0.04 3.95 4.25 2b2fA1 SER 298 HB3 -0.10 -0.03 -0.01 -0.04 3.93 3.75 2b2fA1 LEU 299 H -0.14 0.14 -0.13 -0.55 8.37 7.70 2b2fA1 LEU 299 HA -0.01 0.29 0.87 -0.75 4.35 4.74 2b2fA1 LEU 299 HB2 -0.57 -0.07 0.09 -0.04 1.64 1.05 2b2fA1 LEU 299 HB3 -0.09 0.03 0.13 -0.04 1.64 1.66 2b2fA1 LEU 299 HG -0.26 0.01 -0.03 -0.04 1.64 1.32 2b2fA1 LEU 299 HD13 -0.51 -0.01 -0.03 -0.04 0.93 0.34 2b2fA1 LEU 299 HD23 -0.07 0.06 -0.22 -0.04 0.89 0.61 2b2fA1 ASP 300 H 0.07 0.59 -0.29 -0.55 8.40 8.23 2b2fA1 ASP 300 HA 0.19 -0.00 0.32 -0.75 4.63 4.38 2b2fA1 ASP 300 HB2 0.15 0.17 -0.33 -0.04 2.71 2.67 2b2fA1 ASP 300 HB3 0.16 -0.16 0.18 -0.04 2.70 2.84 2b2fA1 ALA 301 H 0.14 0.13 -0.19 -0.55 8.40 7.93 2b2fA1 ALA 301 HA 0.44 0.13 0.41 -0.75 4.34 4.57 2b2fA1 ALA 301 HB3 0.15 0.04 -0.02 -0.04 1.41 1.54 2b2fA1 TRP 302 H 0.32 0.08 -0.16 -0.55 7.97 7.66 2b2fA1 TRP 302 HA -0.00 0.00 0.44 -0.75 4.62 4.31 2b2fA1 TRP 302 HB2 -0.04 0.13 0.09 -0.04 3.23 3.37 2b2fA1 TRP 302 HB3 -0.01 -0.05 0.09 -0.04 3.23 3.21 2b2fA1 TRP 302 HD1 -0.73 0.02 -0.30 -0.04 7.22 6.17 2b2fA1 TRP 302 HE1 -1.25 0.03 -0.10 -0.04 10.20 8.84 2b2fA1 TRP 302 HE3 0.02 -0.08 -0.06 -0.04 7.59 7.43 2b2fA1 TRP 302 HZ2 0.01 0.02 -0.07 -0.04 7.44 7.36 2b2fA1 TRP 302 HZ3 0.13 0.28 0.02 -0.04 7.13 7.52 2b2fA1 TRP 302 HH2 0.16 0.03 -0.02 -0.04 7.19 7.31 2b2fA1 ALA 303 H 0.31 0.11 -0.13 -0.55 8.40 8.14 2b2fA1 ALA 303 HA -0.86 0.03 0.30 -0.75 4.34 3.05 2b2fA1 ALA 303 HB3 0.14 0.07 -0.04 -0.04 1.41 1.54 2b2fA1 ILE 304 H 0.03 0.44 -0.36 -0.55 8.25 7.81 2b2fA1 ILE 304 HA -0.10 0.11 0.62 -0.75 4.18 4.05 2b2fA1 ILE 304 HB -0.04 0.07 0.14 -0.04 1.89 2.01 2b2fA1 ILE 304 HG12 0.06 -0.01 0.03 -0.04 1.49 1.53 2b2fA1 ILE 304 HG13 -0.02 0.02 0.00 -0.04 1.21 1.17 2b2fA1 ILE 304 HG23 -0.43 -0.01 -0.23 -0.04 0.93 0.21 2b2fA1 ILE 304 HD13 -0.15 0.02 -0.12 -0.04 0.88 0.59 2b2fA1 HIS 305 H 0.12 0.40 0.09 -0.55 8.41 8.48 2b2fA1 HIS 305 HA 0.08 0.05 0.62 -0.75 4.63 4.63 2b2fA1 HIS 305 HB2 0.17 0.20 0.24 -0.04 3.26 3.83 2b2fA1 HIS 305 HB3 0.31 -0.04 0.09 -0.04 3.20 3.52 2b2fA1 HIS 305 HD2 0.16 -0.01 0.11 -0.04 6.97 7.18 2b2fA1 HIS 305 HE1 0.19 0.00 -0.07 -0.04 7.75 7.83 2b2fA1 GLY 306 H 0.09 0.42 0.25 -0.55 8.43 8.64 2b2fA1 GLY 306 HA2 0.35 0.05 0.43 -0.51 4.01 4.33 2b2fA1 GLY 306 HA3 -0.17 0.00 0.35 -0.51 4.01 3.68 2b2fA1 ILE 307 H -0.48 0.57 -0.12 -0.55 8.25 7.68 2b2fA1 ILE 307 HA 0.01 0.00 0.38 -0.75 4.18 3.82 2b2fA1 ILE 307 HB -0.30 0.42 0.10 -0.04 1.89 2.07 2b2fA1 ILE 307 HG12 -1.50 0.05 -0.07 -0.04 1.49 -0.07 2b2fA1 ILE 307 HG13 -0.87 -0.01 0.00 -0.04 1.21 0.29 2b2fA1 ILE 307 HG23 -0.06 -0.01 -0.17 -0.04 0.93 0.65 2b2fA1 ILE 307 HD13 -0.18 -0.01 -0.10 -0.04 0.88 0.55 2b2fA1 GLY 308 H -0.05 0.34 -0.45 -0.55 8.43 7.73 2b2fA1 GLY 308 HA2 0.14 -0.04 0.45 -0.51 4.01 4.05 2b2fA1 GLY 308 HA3 -0.01 0.25 0.37 -0.51 4.01 4.11 2b2fA1 GLY 309 H 0.14 0.74 -0.27 -0.55 8.43 8.50 2b2fA1 GLY 309 HA2 0.13 0.05 0.38 -0.51 4.01 4.06 2b2fA1 GLY 309 HA3 0.26 0.12 0.33 -0.51 4.01 4.21 2b2fA1 LEU 310 H 0.20 0.47 -0.28 -0.55 8.37 8.21 2b2fA1 LEU 310 HA 0.13 -0.01 0.43 -0.75 4.35 4.14 2b2fA1 LEU 310 HB2 0.28 0.13 0.12 -0.04 1.64 2.14 2b2fA1 LEU 310 HB3 0.21 0.08 0.17 -0.04 1.64 2.06 2b2fA1 LEU 310 HG 0.11 -0.04 -0.00 -0.04 1.64 1.67 2b2fA1 LEU 310 HD13 0.23 -0.00 -0.05 -0.04 0.93 1.06 2b2fA1 LEU 310 HD23 0.17 -0.02 -0.26 -0.04 0.89 0.74 2b2fA1 TRP 311 H 0.31 0.66 -0.05 -0.55 7.97 8.34 2b2fA1 TRP 311 HA 0.04 -0.01 0.39 -0.75 4.62 4.28 2b2fA1 TRP 311 HB2 0.02 -0.02 0.08 -0.04 3.23 3.27 2b2fA1 TRP 311 HB3 0.01 0.18 0.20 -0.04 3.23 3.59 2b2fA1 TRP 311 HD1 -0.00 0.04 0.03 -0.04 7.22 7.25 2b2fA1 TRP 311 HE1 0.01 0.31 0.17 -0.04 10.20 10.65 2b2fA1 TRP 311 HE3 0.03 0.02 0.04 -0.04 7.59 7.63 2b2fA1 TRP 311 HZ2 0.02 0.00 -0.17 -0.04 7.44 7.25 2b2fA1 TRP 311 HZ3 0.03 0.01 -0.05 -0.04 7.13 7.07 2b2fA1 TRP 311 HH2 0.03 -0.00 -0.06 -0.04 7.19 7.11 2b2fA1 GLY 312 H -0.03 0.65 -0.03 -0.55 8.43 8.47 2b2fA1 GLY 312 HA2 -0.77 -0.08 0.40 -0.51 4.01 3.05 2b2fA1 GLY 312 HA3 -0.22 0.40 0.48 -0.51 4.01 4.16 2b2fA1 SER 313 H -0.03 0.58 -0.32 -0.55 8.46 8.15 2b2fA1 SER 313 HA -0.01 -0.05 0.46 -0.75 4.49 4.13 2b2fA1 SER 313 HB2 0.03 0.17 0.16 -0.04 3.95 4.26 2b2fA1 SER 313 HB3 -0.00 -0.05 0.05 -0.04 3.93 3.89 2b2fA1 VAL 314 H -0.07 0.53 -0.15 -0.55 8.24 8.01 2b2fA1 VAL 314 HA -0.03 0.03 0.49 -0.75 4.13 3.86 2b2fA1 VAL 314 HB 0.09 0.14 0.17 -0.04 2.12 2.48 2b2fA1 VAL 314 HG13 0.09 -0.03 -0.12 -0.04 0.97 0.87 2b2fA1 VAL 314 HG23 0.07 0.03 -0.01 -0.04 0.95 1.01 2b2fA1 ALA 315 H -0.56 0.76 -0.01 -0.55 8.40 8.05 2b2fA1 ALA 315 HA -0.35 -0.03 0.35 -0.75 4.34 3.55 2b2fA1 ALA 315 HB3 -1.23 0.04 0.05 -0.04 1.41 0.23 2b2fA1 VAL 316 H -0.17 0.43 -0.57 -0.55 8.24 7.38 2b2fA1 VAL 316 HA -0.04 -0.05 0.32 -0.75 4.13 3.61 2b2fA1 VAL 316 HB -0.06 0.21 0.09 -0.04 2.12 2.32 2b2fA1 VAL 316 HG13 -0.09 -0.02 -0.13 -0.04 0.97 0.69 2b2fA1 VAL 316 HG23 0.05 0.08 -0.07 -0.04 0.95 0.97 2b2fA1 GLY 317 H -0.07 0.43 -0.20 -0.55 8.43 8.04 2b2fA1 GLY 317 HA2 -0.04 0.05 0.22 -0.51 4.01 3.72 2b2fA1 GLY 317 HA3 -0.03 0.06 0.25 -0.51 4.01 3.78 2b2fA1 ILE 318 H -0.02 0.37 -0.53 -0.55 8.25 7.52 2b2fA1 ILE 318 HA 0.06 -0.02 0.94 -0.75 4.18 4.41 2b2fA1 ILE 318 HB 0.04 0.11 0.13 -0.04 1.89 2.12 2b2fA1 ILE 318 HG12 0.07 -0.03 -0.04 -0.04 1.49 1.45 2b2fA1 ILE 318 HG13 0.03 0.11 -0.08 -0.04 1.21 1.23 2b2fA1 ILE 318 HG23 0.10 -0.02 -0.07 -0.04 0.93 0.90 2b2fA1 ILE 318 HD13 0.17 -0.00 -0.06 -0.04 0.88 0.94 2b2fA1 LEU 319 H 0.02 0.65 0.13 -0.55 8.37 8.63 2b2fA1 LEU 319 HA 0.29 0.18 0.89 -0.75 4.35 4.96 2b2fA1 LEU 319 HB2 0.02 0.08 -0.01 -0.04 1.64 1.69 2b2fA1 LEU 319 HB3 0.12 -0.14 0.10 -0.04 1.64 1.68 2b2fA1 LEU 319 HG 0.06 -0.02 -0.08 -0.04 1.64 1.56 2b2fA1 LEU 319 HD13 0.06 -0.01 0.00 -0.04 0.93 0.94 2b2fA1 LEU 319 HD23 0.14 0.01 -0.09 -0.04 0.89 0.91 2b2fA1 ALA 320 H 0.02 0.43 -0.05 -0.55 8.40 8.25 2b2fA1 ALA 320 HA -0.02 -0.00 0.17 -0.75 4.34 3.73 2b2fA1 ALA 320 HB3 -0.06 0.02 -0.29 -0.04 1.41 1.04 2b2fA1 ASN 321 H -0.19 0.61 0.38 -0.55 8.53 8.79 2b2fA1 ASN 321 HA -1.39 0.17 0.95 -0.75 4.76 3.74 2b2fA1 ASN 321 HB2 -0.53 0.02 0.17 -0.04 2.88 2.50 2b2fA1 ASN 321 HB3 -0.24 -0.01 0.26 -0.04 2.79 2.75 2b2fA1 ASN 321 HD21 0.06 0.03 0.01 -0.04 7.03 7.09 2b2fA1 ASN 321 HD22 -0.02 -0.09 0.05 -0.04 7.74 7.64 2b2fA1 PRO 322 HA -0.06 0.02 -0.09 -0.51 4.44 3.79 2b2fA1 PRO 322 HB2 -0.03 -0.02 -0.04 -0.04 2.28 2.15 2b2fA1 PRO 322 HB3 -0.04 0.18 -0.13 -0.04 2.02 1.99 2b2fA1 PRO 322 HG2 -0.02 -0.08 0.06 -0.04 2.03 1.95 2b2fA1 PRO 322 HG3 0.04 0.12 0.08 -0.04 2.03 2.23 2b2fA1 PRO 322 HD2 -0.63 0.01 0.31 -0.04 3.68 3.34 2b2fA1 PRO 322 HD3 -0.20 0.16 0.23 -0.04 3.65 3.80 2b2fA1 GLU 323 H -0.12 0.09 -0.32 -0.55 8.60 7.70 2b2fA1 GLU 323 HA -0.02 0.11 0.45 -0.75 4.29 4.08 2b2fA1 GLU 323 HB2 -0.03 -0.05 0.03 -0.04 2.09 2.00 2b2fA1 GLU 323 HB3 -0.01 0.01 0.00 -0.04 1.99 1.95 2b2fA1 GLU 323 HG2 0.00 0.04 0.03 -0.04 2.34 2.37 2b2fA1 GLU 323 HG3 0.02 0.00 0.01 -0.04 2.34 2.33 2b2fA1 VAL 324 H -0.09 0.49 -0.37 -0.55 8.24 7.72 2b2fA1 VAL 324 HA -0.03 0.05 0.61 -0.75 4.13 4.00 2b2fA1 VAL 324 HB -0.05 0.32 0.10 -0.04 2.12 2.44 2b2fA1 VAL 324 HG13 -0.06 0.02 -0.36 -0.04 0.97 0.53 2b2fA1 VAL 324 HG23 -0.07 -0.08 -0.25 -0.04 0.95 0.51 2b2fA1 ASN 325 H 0.03 0.34 0.04 -0.55 8.53 8.39 2b2fA1 ASN 325 HA 0.05 0.15 0.76 -0.75 4.76 4.97 2b2fA1 ASN 325 HB2 0.09 0.18 -0.05 -0.04 2.88 3.05 2b2fA1 ASN 325 HB3 0.43 -0.10 0.23 -0.04 2.79 3.31 2b2fA1 ASN 325 HD21 0.24 -0.07 0.07 -0.04 7.03 7.22 2b2fA1 ASN 325 HD22 0.08 0.17 0.06 -0.04 7.74 8.01 2b2fA1 GLY 326 H -0.01 0.56 0.01 -0.55 8.43 8.44 2b2fA1 GLY 326 HA2 -0.07 0.05 0.45 -0.51 4.01 3.92 2b2fA1 GLY 326 HA3 -0.14 0.05 0.42 -0.51 4.01 3.82 2b2fA1 TYR 327 H 0.08 0.55 -0.31 -0.55 8.29 8.06 2b2fA1 TYR 327 HA -0.08 0.05 0.43 -0.75 4.56 4.21 2b2fA1 TYR 327 HB2 -0.23 -0.04 -0.01 -0.04 3.06 2.73 2b2fA1 TYR 327 HB3 -0.25 -0.00 -0.07 -0.04 2.98 2.62 2b2fA1 TYR 327 HD2 -0.06 0.05 0.07 -0.04 7.15 7.17 2b2fA1 TYR 327 HE2 0.02 0.01 0.01 -0.04 6.85 6.86 2b2fA1 ALA 328 H 0.05 0.18 0.17 -0.55 8.40 8.26 2b2fA1 ALA 328 HA -0.07 0.28 0.68 -0.75 4.34 4.47 2b2fA1 ALA 328 HB3 0.06 0.01 0.03 -0.04 1.41 1.47 2b2fA1 GLY 329 H 0.12 0.58 0.09 -0.55 8.43 8.67 2b2fA1 GLY 329 HA2 0.05 0.20 0.77 -0.51 4.01 4.52 2b2fA1 GLY 329 HA3 0.10 -0.09 -0.08 -0.51 4.01 3.43 2b2fA1 LEU 330 H 0.06 0.69 0.44 -0.55 8.37 9.02 2b2fA1 LEU 330 HA 0.05 -0.00 0.11 -0.75 4.35 3.75 2b2fA1 LEU 330 HB2 0.04 0.06 0.22 -0.04 1.64 1.92 2b2fA1 LEU 330 HB3 0.05 -0.07 0.28 -0.04 1.64 1.86 2b2fA1 LEU 330 HG 0.02 0.00 -0.24 -0.04 1.64 1.39 2b2fA1 LEU 330 HD13 0.02 -0.01 -0.02 -0.04 0.93 0.88 2b2fA1 LEU 330 HD23 0.03 -0.00 0.00 -0.04 0.89 0.88 2b2fA1 LEU 331 H 0.08 0.42 0.07 -0.55 8.37 8.39 2b2fA1 LEU 331 HA -0.07 0.04 0.40 -0.75 4.35 3.97 2b2fA1 LEU 331 HB2 -0.06 0.11 0.07 -0.04 1.64 1.72 2b2fA1 LEU 331 HB3 -0.22 -0.04 0.14 -0.04 1.64 1.48 2b2fA1 LEU 331 HG 0.04 0.03 0.11 -0.04 1.64 1.78 2b2fA1 LEU 331 HD13 0.02 -0.01 -0.01 -0.04 0.93 0.88 2b2fA1 LEU 331 HD23 -0.01 -0.01 -0.02 -0.04 0.89 0.81 2b2fA1 PHE 332 H 0.20 0.45 -0.86 -0.55 8.34 7.58 2b2fA1 PHE 332 HA 0.01 0.14 0.89 -0.75 4.62 4.91 2b2fA1 PHE 332 HB2 0.01 -0.02 0.16 -0.04 3.15 3.26 2b2fA1 PHE 332 HB3 0.01 -0.05 0.27 -0.04 3.06 3.25 2b2fA1 PHE 332 HD2 0.01 -0.02 -0.07 -0.04 7.28 7.16 2b2fA1 PHE 332 HE2 0.02 -0.04 -0.02 -0.04 7.38 7.30 2b2fA1 PHE 332 HZ 0.02 -0.12 -0.00 -0.04 7.32 7.18 2b2fA1 GLY 333 H 0.03 0.42 -0.17 -0.55 8.43 8.16 2b2fA1 GLY 333 HA2 0.02 -0.02 0.33 -0.51 4.01 3.83 2b2fA1 GLY 333 HA3 0.04 0.06 0.49 -0.51 4.01 4.09 2b2fA1 ASN 334 H 0.08 0.51 -0.37 -0.55 8.53 8.21 2b2fA1 ASN 334 HA 0.03 0.27 1.17 -0.75 4.76 5.47 2b2fA1 ASN 334 HB2 0.04 0.06 -0.14 -0.04 2.88 2.80 2b2fA1 ASN 334 HB3 0.05 0.19 -0.15 -0.04 2.79 2.84 2b2fA1 ASN 334 HD21 0.02 -0.03 0.03 -0.04 7.03 7.01 2b2fA1 ASN 334 HD22 0.04 0.18 0.11 -0.04 7.74 8.02 2b2fA1 PRO 335 HA 0.02 0.06 0.52 -0.51 4.44 4.53 2b2fA1 PRO 335 HB2 0.01 0.03 0.03 -0.04 2.28 2.32 2b2fA1 PRO 335 HB3 0.02 0.03 0.10 -0.04 2.02 2.12 2b2fA1 PRO 335 HG2 0.01 0.06 0.06 -0.04 2.03 2.13 2b2fA1 PRO 335 HG3 0.02 0.04 -0.01 -0.04 2.03 2.04 2b2fA1 PRO 335 HD2 0.02 0.06 0.24 -0.04 3.68 3.95 2b2fA1 PRO 335 HD3 0.02 0.48 0.03 -0.04 3.65 4.14 2b2fA1 GLN 336 H 0.01 0.18 -0.09 -0.55 8.47 8.03 2b2fA1 GLN 336 HA 0.01 0.05 0.38 -0.75 4.36 4.04 2b2fA1 GLN 336 HB2 0.01 0.02 0.07 -0.04 2.15 2.20 2b2fA1 GLN 336 HB3 0.00 0.08 -0.00 -0.04 2.02 2.06 2b2fA1 GLN 336 HG2 0.01 0.06 0.04 -0.04 2.40 2.47 2b2fA1 GLN 336 HG3 0.01 -0.01 0.05 -0.04 2.39 2.40 2b2fA1 GLN 336 HE21 0.01 0.05 0.06 -0.04 6.97 7.06 2b2fA1 GLN 336 HE22 0.01 0.04 0.04 -0.04 7.69 7.73 2b2fA1 LEU 337 H 0.01 0.21 -0.19 -0.55 8.37 7.85 2b2fA1 LEU 337 HA -0.03 0.14 0.44 -0.75 4.35 4.14 2b2fA1 LEU 337 HB2 0.00 0.07 0.18 -0.04 1.64 1.85 2b2fA1 LEU 337 HB3 -0.01 0.07 0.19 -0.04 1.64 1.85 2b2fA1 LEU 337 HG -0.09 -0.12 -0.13 -0.04 1.64 1.26 2b2fA1 LEU 337 HD13 -0.12 -0.01 0.07 -0.04 0.93 0.83 2b2fA1 LEU 337 HD23 -0.09 -0.02 -0.18 -0.04 0.89 0.56 2b2fA1 LEU 338 H 0.00 0.27 -0.16 -0.55 8.37 7.94 2b2fA1 LEU 338 HA -0.01 -0.05 0.48 -0.75 4.35 4.02 2b2fA1 LEU 338 HB2 0.02 0.08 0.23 -0.04 1.64 1.92 2b2fA1 LEU 338 HB3 0.01 0.07 0.11 -0.04 1.64 1.80 2b2fA1 LEU 338 HG 0.03 -0.02 -0.12 -0.04 1.64 1.49 2b2fA1 LEU 338 HD13 0.03 -0.00 -0.02 -0.04 0.93 0.90 2b2fA1 LEU 338 HD23 0.02 -0.02 0.05 -0.04 0.89 0.90 2b2fA1 VAL 339 H -0.00 0.38 -0.09 -0.55 8.24 7.98 2b2fA1 VAL 339 HA 0.00 -0.02 0.45 -0.75 4.13 3.81 2b2fA1 VAL 339 HB -0.00 0.16 0.16 -0.04 2.12 2.40 2b2fA1 VAL 339 HG13 0.00 -0.01 -0.06 -0.04 0.97 0.86 2b2fA1 VAL 339 HG23 0.01 0.01 0.04 -0.04 0.95 0.97 2b2fA1 SER 340 H -0.03 0.51 -0.13 -0.55 8.46 8.26 2b2fA1 SER 340 HA -0.06 0.04 0.43 -0.75 4.49 4.15 2b2fA1 SER 340 HB2 -0.06 0.11 0.12 -0.04 3.95 4.07 2b2fA1 SER 340 HB3 -0.09 -0.09 -0.35 -0.04 3.93 3.36 2b2fA1 GLN 341 H -0.05 0.54 -0.09 -0.55 8.47 8.33 2b2fA1 GLN 341 HA -0.08 -0.01 0.49 -0.75 4.36 4.01 2b2fA1 GLN 341 HB2 -0.03 0.10 0.29 -0.04 2.15 2.46 2b2fA1 GLN 341 HB3 -0.04 0.02 0.09 -0.04 2.02 2.04 2b2fA1 GLN 341 HG2 -0.07 0.28 0.13 -0.04 2.40 2.70 2b2fA1 GLN 341 HG3 -0.07 -0.20 0.12 -0.04 2.39 2.20 2b2fA1 GLN 341 HE21 -0.04 0.31 0.24 -0.04 6.97 7.44 2b2fA1 GLN 341 HE22 -0.05 0.56 0.27 -0.04 7.69 8.43 2b2fA1 LEU 342 H -0.02 0.66 0.01 -0.55 8.37 8.48 2b2fA1 LEU 342 HA 0.01 -0.02 0.43 -0.75 4.35 4.01 2b2fA1 LEU 342 HB2 0.01 0.11 0.17 -0.04 1.64 1.88 2b2fA1 LEU 342 HB3 0.02 -0.05 0.02 -0.04 1.64 1.59 2b2fA1 LEU 342 HG 0.01 0.20 0.10 -0.04 1.64 1.92 2b2fA1 LEU 342 HD13 0.03 -0.02 -0.04 -0.04 0.93 0.85 2b2fA1 LEU 342 HD23 0.04 -0.02 0.01 -0.04 0.89 0.88 2b2fA1 ILE 343 H -0.03 0.60 -0.19 -0.55 8.25 8.08 2b2fA1 ILE 343 HA 0.01 -0.01 0.43 -0.75 4.18 3.86 2b2fA1 ILE 343 HB -0.06 0.17 0.21 -0.04 1.89 2.16 2b2fA1 ILE 343 HG12 0.03 -0.09 0.05 -0.04 1.49 1.44 2b2fA1 ILE 343 HG13 -0.00 0.17 0.14 -0.04 1.21 1.48 2b2fA1 ILE 343 HG23 0.01 -0.02 -0.10 -0.04 0.93 0.78 2b2fA1 ILE 343 HD13 0.01 -0.02 -0.02 -0.04 0.88 0.82 2b2fA1 ALA 344 H -0.12 0.65 -0.08 -0.55 8.40 8.31 2b2fA1 ALA 344 HA -0.26 -0.03 0.38 -0.75 4.34 3.68 2b2fA1 ALA 344 HB3 -0.19 0.02 0.11 -0.04 1.41 1.31 2b2fA1 VAL 345 H -0.05 0.82 -0.09 -0.55 8.24 8.37 2b2fA1 VAL 345 HA -0.04 -0.05 0.42 -0.75 4.13 3.71 2b2fA1 VAL 345 HB 0.00 0.08 0.14 -0.04 2.12 2.31 2b2fA1 VAL 345 HG13 0.03 -0.02 -0.11 -0.04 0.97 0.83 2b2fA1 VAL 345 HG23 -0.00 0.02 -0.03 -0.04 0.95 0.90 2b2fA1 ALA 346 H -0.00 0.78 -0.07 -0.55 8.40 8.56 2b2fA1 ALA 346 HA 0.02 -0.03 0.42 -0.75 4.34 3.99 2b2fA1 ALA 346 HB3 0.04 0.01 0.13 -0.04 1.41 1.55 2b2fA1 SER 347 H 0.03 0.72 -0.10 -0.55 8.46 8.56 2b2fA1 SER 347 HA 0.16 -0.00 0.41 -0.75 4.49 4.30 2b2fA1 SER 347 HB2 0.00 0.06 0.16 -0.04 3.95 4.12 2b2fA1 SER 347 HB3 0.27 -0.06 -0.01 -0.04 3.93 4.09 2b2fA1 THR 348 H -0.06 0.72 0.00 -0.55 8.28 8.40 2b2fA1 THR 348 HA -0.16 0.02 0.43 -0.75 4.39 3.93 2b2fA1 THR 348 HB -0.37 -0.06 -0.04 -0.04 4.32 3.81 2b2fA1 THR 348 HG23 -0.67 0.00 0.00 -0.04 1.22 0.52 2b2fA1 THR 349 H -0.02 0.64 -0.20 -0.55 8.28 8.15 2b2fA1 THR 349 HA -0.20 -0.01 0.39 -0.75 4.39 3.81 2b2fA1 THR 349 HB -0.12 0.11 0.15 -0.04 4.32 4.41 2b2fA1 THR 349 HG23 -0.95 -0.03 -0.12 -0.04 1.22 0.08 2b2fA1 ALA 350 H 0.09 0.57 -0.09 -0.55 8.40 8.43 2b2fA1 ALA 350 HA 0.19 0.00 0.42 -0.75 4.34 4.20 2b2fA1 ALA 350 HB3 0.15 0.02 0.11 -0.04 1.41 1.65 2b2fA1 TYR 351 H 0.40 0.62 -0.07 -0.55 8.29 8.68 2b2fA1 TYR 351 HA 0.23 -0.01 0.42 -0.75 4.56 4.44 2b2fA1 TYR 351 HB2 0.41 0.08 0.14 -0.04 3.06 3.64 2b2fA1 TYR 351 HB3 0.55 0.03 0.14 -0.04 2.98 3.65 2b2fA1 TYR 351 HD2 0.25 -0.01 -0.14 -0.04 7.15 7.21 2b2fA1 TYR 351 HE2 0.06 0.06 0.08 -0.04 6.85 7.01 2b2fA1 ALA 352 H 0.59 0.59 -0.13 -0.55 8.40 8.91 2b2fA1 ALA 352 HA 0.28 -0.02 0.34 -0.75 4.34 4.19 2b2fA1 ALA 352 HB3 0.50 0.02 0.08 -0.04 1.41 1.97 2b2fA1 PHE 353 H 0.45 0.50 -0.25 -0.55 8.34 8.48 2b2fA1 PHE 353 HA 0.28 0.06 0.35 -0.75 4.62 4.55 2b2fA1 PHE 353 HB2 0.43 -0.01 0.10 -0.04 3.15 3.64 2b2fA1 PHE 353 HB3 0.21 0.08 0.17 -0.04 3.06 3.48 2b2fA1 PHE 353 HD2 0.18 0.05 -0.02 -0.04 7.28 7.45 2b2fA1 PHE 353 HE2 0.04 -0.01 -0.12 -0.04 7.38 7.25 2b2fA1 PHE 353 HZ 0.02 0.02 -0.05 -0.04 7.32 7.28 2b2fA1 LEU 354 H 0.24 0.70 0.03 -0.55 8.37 8.80 2b2fA1 LEU 354 HA -0.14 0.02 0.44 -0.75 4.35 3.91 2b2fA1 LEU 354 HB2 0.05 0.08 0.15 -0.04 1.64 1.88 2b2fA1 LEU 354 HB3 0.01 -0.06 0.02 -0.04 1.64 1.57 2b2fA1 LEU 354 HG 0.32 0.07 0.13 -0.04 1.64 2.12 2b2fA1 LEU 354 HD13 0.12 -0.02 -0.02 -0.04 0.93 0.97 2b2fA1 LEU 354 HD23 0.18 -0.02 -0.01 -0.04 0.89 1.01 2b2fA1 VAL 355 H -0.13 0.76 0.04 -0.55 8.24 8.37 2b2fA1 VAL 355 HA -0.16 0.02 0.50 -0.75 4.13 3.73 2b2fA1 VAL 355 HB -0.35 0.13 0.07 -0.04 2.12 1.93 2b2fA1 VAL 355 HG13 -0.16 0.00 -0.10 -0.04 0.97 0.67 2b2fA1 VAL 355 HG23 -0.99 0.00 0.07 -0.04 0.95 -0.02 2b2fA1 THR 356 H 0.04 0.50 -0.19 -0.55 8.28 8.09 2b2fA1 THR 356 HA 0.22 -0.03 0.41 -0.75 4.39 4.24 2b2fA1 THR 356 HB 0.12 0.17 0.21 -0.04 4.32 4.78 2b2fA1 THR 356 HG23 0.13 -0.02 -0.01 -0.04 1.22 1.28 2b2fA1 LEU 357 H -0.15 0.48 -0.28 -0.55 8.37 7.88 2b2fA1 LEU 357 HA -0.13 -0.00 0.33 -0.75 4.35 3.79 2b2fA1 LEU 357 HB2 -0.45 0.27 0.22 -0.04 1.64 1.63 2b2fA1 LEU 357 HB3 -0.17 0.15 0.14 -0.04 1.64 1.71 2b2fA1 LEU 357 HG -0.11 -0.04 -0.04 -0.04 1.64 1.41 2b2fA1 LEU 357 HD13 -0.20 -0.02 0.05 -0.04 0.93 0.71 2b2fA1 LEU 357 HD23 -0.26 -0.01 -0.01 -0.04 0.89 0.56 2b2fA1 ILE 358 H -0.08 0.40 -0.26 -0.55 8.25 7.76 2b2fA1 ILE 358 HA -0.05 0.01 0.43 -0.75 4.18 3.82 2b2fA1 ILE 358 HB -0.08 0.16 0.20 -0.04 1.89 2.13 2b2fA1 ILE 358 HG12 -0.06 -0.06 0.04 -0.04 1.49 1.37 2b2fA1 ILE 358 HG13 -0.07 0.17 0.11 -0.04 1.21 1.38 2b2fA1 ILE 358 HG23 -0.07 -0.02 -0.13 -0.04 0.93 0.66 2b2fA1 ILE 358 HD13 -0.09 -0.03 -0.02 -0.04 0.88 0.70 2b2fA1 LEU 359 H -0.01 0.64 -0.04 -0.55 8.37 8.42 2b2fA1 LEU 359 HA 0.00 -0.00 0.44 -0.75 4.35 4.03 2b2fA1 LEU 359 HB2 0.12 0.09 0.16 -0.04 1.64 1.97 2b2fA1 LEU 359 HB3 0.11 -0.08 -0.01 -0.04 1.64 1.63 2b2fA1 LEU 359 HG 0.01 0.22 0.02 -0.04 1.64 1.86 2b2fA1 LEU 359 HD13 0.21 -0.03 -0.19 -0.04 0.93 0.88 2b2fA1 LEU 359 HD23 -0.00 -0.02 -0.04 -0.04 0.89 0.79 2b2fA1 ALA 360 H 0.02 0.88 -0.08 -0.55 8.40 8.66 2b2fA1 ALA 360 HA 0.02 -0.04 0.39 -0.75 4.34 3.96 2b2fA1 ALA 360 HB3 -0.01 0.02 0.04 -0.04 1.41 1.43 2b2fA1 LYS 361 H -0.02 0.60 -0.13 -0.55 8.42 8.31 2b2fA1 LYS 361 HA -0.01 0.02 0.45 -0.75 4.32 4.02 2b2fA1 LYS 361 HB2 -0.03 0.09 0.17 -0.04 1.87 2.06 2b2fA1 LYS 361 HB3 -0.02 -0.06 0.05 -0.04 1.79 1.72 2b2fA1 LYS 361 HG2 -0.02 -0.04 0.05 -0.04 1.46 1.41 2b2fA1 LYS 361 HG3 -0.04 0.29 0.16 -0.04 1.46 1.83 2b2fA1 LYS 361 HD2 -0.03 -0.01 -0.04 -0.04 1.69 1.56 2b2fA1 LYS 361 HD3 -0.02 -0.05 0.01 -0.04 1.68 1.58 2b2fA1 LYS 361 HE2 -0.04 0.00 -0.01 -0.04 2.99 2.90 2b2fA1 LYS 361 HE3 -0.02 -0.04 -0.02 -0.04 2.99 2.87 2b2fA1 ALA 362 H -0.01 0.64 -0.15 -0.55 8.40 8.32 2b2fA1 ALA 362 HA -0.01 0.00 0.37 -0.75 4.34 3.94 2b2fA1 ALA 362 HB3 -0.02 0.03 0.13 -0.04 1.41 1.51 2b2fA1 VAL 363 H 0.01 0.69 -0.07 -0.55 8.24 8.32 2b2fA1 VAL 363 HA 0.01 -0.01 0.38 -0.75 4.13 3.77 2b2fA1 VAL 363 HB 0.02 0.12 0.12 -0.04 2.12 2.35 2b2fA1 VAL 363 HG13 0.02 -0.01 -0.16 -0.04 0.97 0.77 2b2fA1 VAL 363 HG23 0.03 0.02 -0.01 -0.04 0.95 0.95 2b2fA1 ASP 364 H 0.00 0.71 -0.16 -0.55 8.40 8.41 2b2fA1 ASP 364 HA 0.01 -0.23 0.42 -0.75 4.63 4.08 2b2fA1 ASP 364 HB2 -0.00 0.19 0.17 -0.04 2.71 3.04 2b2fA1 ASP 364 HB3 -0.00 0.14 0.15 -0.04 2.70 2.94 2b2fA1 ALA 365 H -0.00 0.70 -0.19 -0.55 8.40 8.36 2b2fA1 ALA 365 HA -0.00 0.01 0.47 -0.75 4.34 4.06 2b2fA1 ALA 365 HB3 -0.01 -0.00 0.10 -0.04 1.41 1.46 2b2fA1 ALA 366 H 0.00 0.47 -0.08 -0.55 8.40 8.25 2b2fA1 ALA 366 HA 0.00 0.03 0.52 -0.75 4.34 4.13 2b2fA1 ALA 366 HB3 0.01 -0.04 0.10 -0.04 1.41 1.43 2b2fA1 VAL 367 H 0.01 0.66 0.13 -0.55 8.24 8.49 2b2fA1 VAL 367 HA 0.01 0.20 1.01 -0.75 4.13 4.59 2b2fA1 VAL 367 HB 0.01 -0.06 0.07 -0.04 2.12 2.11 2b2fA1 VAL 367 HG13 0.01 -0.03 -0.19 -0.04 0.97 0.73 2b2fA1 VAL 367 HG23 0.02 0.03 -0.12 -0.04 0.95 0.84 2b2fA1 GLY 368 H 0.01 0.25 0.11 -0.55 8.43 8.25 2b2fA1 GLY 368 HA2 0.00 0.08 0.54 -0.51 4.01 4.13 2b2fA1 GLY 368 HA3 0.00 0.12 0.67 -0.51 4.01 4.29 2b2fA1 LEU 369 H 0.00 0.13 0.19 -0.55 8.37 8.15 2b2fA1 LEU 369 HA 0.02 0.06 0.60 -0.75 4.35 4.28 2b2fA1 LEU 369 HB2 0.00 0.05 0.16 -0.04 1.64 1.81 2b2fA1 LEU 369 HB3 0.01 -0.01 -0.03 -0.04 1.64 1.57 2b2fA1 LEU 369 HG 0.01 -0.05 -0.03 -0.04 1.64 1.53 2b2fA1 LEU 369 HD13 0.00 0.03 -0.04 -0.04 0.93 0.88 2b2fA1 LEU 369 HD23 0.03 -0.02 -0.09 -0.04 0.89 0.78 2b2fA1 ARG 370 H -0.00 0.06 0.12 -0.55 8.46 8.08 2b2fA1 ARG 370 HA -0.01 0.20 0.86 -0.75 4.34 4.64 2b2fA1 ARG 370 HB2 -0.01 0.04 0.19 -0.04 1.90 2.08 2b2fA1 ARG 370 HB3 -0.00 -0.08 0.14 -0.04 1.80 1.82 2b2fA1 ARG 370 HG2 -0.00 0.24 -0.00 -0.04 1.67 1.86 2b2fA1 ARG 370 HG3 -0.01 0.18 0.23 -0.04 1.67 2.03 2b2fA1 ARG 370 HD2 -0.02 0.29 0.12 -0.04 3.22 3.58 2b2fA1 ARG 370 HD3 -0.01 -0.11 0.06 -0.04 3.22 3.12 2b2fA1 VAL 371 H -0.01 0.42 0.09 -0.55 8.24 8.19 2b2fA1 VAL 371 HA -0.00 0.07 0.43 -0.75 4.13 3.87 2b2fA1 VAL 371 HB -0.00 -0.14 0.02 -0.04 2.12 1.95 2b2fA1 VAL 371 HG13 -0.02 -0.02 -0.37 -0.04 0.97 0.52 2b2fA1 VAL 371 HG23 0.00 0.09 -0.20 -0.04 0.95 0.80 2b2fA1 SER 372 H 0.00 0.05 0.14 -0.55 8.46 8.10 2b2fA1 SER 372 HA 0.01 0.21 0.46 -0.75 4.49 4.41 2b2fA1 SER 372 HB2 0.01 -0.02 0.17 -0.04 3.95 4.07 2b2fA1 SER 372 HB3 0.00 0.15 0.16 -0.04 3.93 4.20 2b2fA1 SER 373 H 0.01 0.20 0.20 -0.55 8.46 8.32 2b2fA1 SER 373 HA 0.03 0.18 0.45 -0.75 4.49 4.40 2b2fA1 SER 373 HB2 0.00 -0.04 0.15 -0.04 3.95 4.03 2b2fA1 SER 373 HB3 0.01 0.04 0.07 -0.04 3.93 4.00 2b2fA1 GLN 374 H 0.02 0.10 -0.11 -0.55 8.47 7.94 2b2fA1 GLN 374 HA 0.09 0.14 0.44 -0.75 4.36 4.27 2b2fA1 GLN 374 HB2 0.05 0.06 0.05 -0.04 2.15 2.27 2b2fA1 GLN 374 HB3 0.01 0.04 0.09 -0.04 2.02 2.12 2b2fA1 GLN 374 HG2 0.03 -0.04 -0.08 -0.04 2.40 2.26 2b2fA1 GLN 374 HG3 0.02 0.08 -0.03 -0.04 2.39 2.42 2b2fA1 GLN 374 HE21 0.00 0.04 0.05 -0.04 6.97 7.02 2b2fA1 GLN 374 HE22 0.01 0.06 0.02 -0.04 7.69 7.74 2b2fA1 GLU 375 H 0.03 0.10 -0.34 -0.55 8.60 7.84 2b2fA1 GLU 375 HA 0.03 0.09 0.45 -0.75 4.29 4.10 2b2fA1 GLU 375 HB2 0.01 0.07 0.05 -0.04 2.09 2.18 2b2fA1 GLU 375 HB3 0.00 0.00 -0.10 -0.04 1.99 1.86 2b2fA1 GLU 375 HG2 0.01 0.04 0.02 -0.04 2.34 2.36 2b2fA1 GLU 375 HG3 0.01 -0.07 0.02 -0.04 2.34 2.26 2b2fA1 GLU 376 H 0.04 0.44 -0.27 -0.55 8.60 8.27 2b2fA1 GLU 376 HA 0.02 0.04 0.38 -0.75 4.29 3.97 2b2fA1 GLU 376 HB2 0.03 0.08 0.10 -0.04 2.09 2.26 2b2fA1 GLU 376 HB3 0.07 0.10 0.15 -0.04 1.99 2.27 2b2fA1 GLU 376 HG2 0.04 -0.04 0.03 -0.04 2.34 2.34 2b2fA1 GLU 376 HG3 0.01 0.23 0.22 -0.04 2.34 2.76 2b2fA1 TYR 377 H 0.16 0.29 -0.34 -0.55 8.29 7.86 2b2fA1 TYR 377 HA 0.01 0.06 0.44 -0.75 4.56 4.31 2b2fA1 TYR 377 HB2 0.01 0.02 0.12 -0.04 3.06 3.17 2b2fA1 TYR 377 HB3 0.01 0.06 0.21 -0.04 2.98 3.21 2b2fA1 TYR 377 HD2 0.01 0.00 -0.02 -0.04 7.15 7.11 2b2fA1 TYR 377 HE2 0.01 -0.01 -0.01 -0.04 6.85 6.80 2b2fA1 VAL 378 H 0.09 0.56 0.02 -0.55 8.24 8.36 2b2fA1 VAL 378 HA -0.16 0.05 0.56 -0.75 4.13 3.83 2b2fA1 VAL 378 HB -0.00 -0.07 0.16 -0.04 2.12 2.17 2b2fA1 VAL 378 HG13 0.12 0.08 0.08 -0.04 0.97 1.21 2b2fA1 VAL 378 HG23 0.02 0.02 0.01 -0.04 0.95 0.96 2b2fA1 GLY 379 H -0.02 0.38 -0.47 -0.55 8.43 7.78 2b2fA1 GLY 379 HA2 -0.03 0.05 0.34 -0.51 4.01 3.86 2b2fA1 GLY 379 HA3 -0.04 0.12 0.86 -0.51 4.01 4.44 2b2fA1 LEU 380 H -0.00 0.16 0.17 -0.55 8.37 8.15 2b2fA1 LEU 380 HA -0.01 0.09 0.56 -0.75 4.35 4.23 2b2fA1 LEU 380 HB2 0.02 -0.03 0.13 -0.04 1.64 1.71 2b2fA1 LEU 380 HB3 0.01 -0.01 0.07 -0.04 1.64 1.67 2b2fA1 LEU 380 HG -0.02 0.01 -0.10 -0.04 1.64 1.49 2b2fA1 LEU 380 HD13 -0.01 0.03 -0.20 -0.04 0.93 0.72 2b2fA1 LEU 380 HD23 -0.02 -0.02 -0.08 -0.04 0.89 0.73 2b2fA1 ASP 381 H 0.02 0.52 0.06 -0.55 8.40 8.46 2b2fA1 ASP 381 HA 0.17 -0.02 0.42 -0.75 4.63 4.45 2b2fA1 ASP 381 HB2 -0.01 0.13 0.19 -0.04 2.71 2.98 2b2fA1 ASP 381 HB3 -0.02 0.10 -0.09 -0.04 2.70 2.65 2b2fA1 LEU 382 H 0.01 0.21 -0.12 -0.55 8.37 7.92 2b2fA1 LEU 382 HA 0.01 0.05 0.54 -0.75 4.35 4.20 2b2fA1 LEU 382 HB2 -0.01 0.08 0.14 -0.04 1.64 1.82 2b2fA1 LEU 382 HB3 0.00 0.04 -0.01 -0.04 1.64 1.62 2b2fA1 LEU 382 HG 0.00 -0.00 -0.02 -0.04 1.64 1.58 2b2fA1 LEU 382 HD13 0.00 0.02 -0.12 -0.04 0.93 0.79 2b2fA1 LEU 382 HD23 -0.01 0.01 0.03 -0.04 0.89 0.88 2b2fA1 SER 383 H -0.00 0.53 0.05 -0.55 8.46 8.49 2b2fA1 SER 383 HA -0.01 0.11 0.45 -0.75 4.49 4.28 2b2fA1 SER 383 HB2 -0.01 -0.06 0.06 -0.04 3.95 3.90 2b2fA1 SER 383 HB3 0.00 0.01 0.12 -0.04 3.93 4.03 2b2fA1 GLN 384 H -0.06 0.45 -0.12 -0.55 8.47 8.19 2b2fA1 GLN 384 HA -0.14 0.20 0.99 -0.75 4.36 4.65 2b2fA1 GLN 384 HB2 -0.26 0.17 0.15 -0.04 2.15 2.18 2b2fA1 GLN 384 HB3 -0.43 -0.08 0.12 -0.04 2.02 1.58 2b2fA1 GLN 384 HG2 -0.07 -0.07 -0.11 -0.04 2.40 2.11 2b2fA1 GLN 384 HG3 -0.09 0.08 0.06 -0.04 2.39 2.40 2b2fA1 GLN 384 HE21 -0.04 -0.00 0.03 -0.04 6.97 6.92 2b2fA1 GLN 384 HE22 -0.04 0.00 -0.13 -0.04 7.69 7.48 2b2fA1 HIS 385 H -0.02 0.19 -0.13 -0.55 8.41 7.90 2b2fA1 HIS 385 HA -0.01 0.19 0.91 -0.75 4.63 4.97 2b2fA1 HIS 385 HB2 -0.03 0.11 0.09 -0.04 3.26 3.40 2b2fA1 HIS 385 HB3 -0.02 -0.03 0.06 -0.04 3.20 3.16 2b2fA1 HIS 385 HD2 -0.03 -0.04 -0.17 -0.04 6.97 6.69 2b2fA1 HIS 385 HE1 0.00 -0.01 -0.09 -0.04 7.75 7.61 2b2fA1 GLU 386 H 0.02 0.20 0.00 -0.55 8.60 8.27 2b2fA1 GLU 386 HA 0.01 0.10 0.48 -0.75 4.29 4.12 2b2fA1 GLU 386 HB2 0.02 0.11 -0.10 -0.04 2.09 2.08 2b2fA1 GLU 386 HB3 0.01 -0.07 0.22 -0.04 1.99 2.10 2b2fA1 GLU 386 HG2 0.00 0.08 0.06 -0.04 2.34 2.44 2b2fA1 GLU 386 HG3 -0.00 -0.02 -0.20 -0.04 2.34 2.07 2b2fA1 GLU 387 H 0.04 0.50 -0.16 -0.55 8.60 8.44 2b2fA1 GLU 387 HA -0.01 0.19 0.72 -0.75 4.29 4.44 2b2fA1 GLU 387 HB2 0.01 -0.08 -0.16 -0.04 2.09 1.82 2b2fA1 GLU 387 HB3 -0.04 -0.06 -0.11 -0.04 1.99 1.73 2b2fA1 GLU 387 HG2 -0.02 -0.00 -0.00 -0.04 2.34 2.28 2b2fA1 GLU 387 HG3 0.02 0.34 -0.36 -0.04 2.34 2.31 2b2fA1 VAL 388 H -0.04 0.31 0.04 -0.55 8.24 8.00 2b2fA1 VAL 388 HA -0.04 0.08 0.79 -0.75 4.13 4.21 2b2fA1 VAL 388 HB -0.02 0.03 0.01 -0.04 2.12 2.10 2b2fA1 VAL 388 HG13 -0.00 -0.01 -0.12 -0.04 0.97 0.80 2b2fA1 VAL 388 HG23 -0.01 0.01 -0.19 -0.04 0.95 0.72 2b2fA1 ALA 389 H -0.11 0.12 0.08 -0.55 8.40 7.94 2b2fA1 ALA 389 HA -0.30 0.05 0.36 -0.75 4.34 3.69 2b2fA1 ALA 389 HB3 -0.47 -0.04 0.14 -0.04 1.41 1.00 2b2fA1 TYR 390 H 0.01 0.12 -0.01 -0.55 8.29 7.86 2b2fA1 TYR 390 HA -0.00 0.27 1.01 -0.75 4.56 5.08 2b2fA1 TYR 390 HB2 0.01 -0.01 -0.03 -0.04 3.06 2.99 2b2fA1 TYR 390 HB3 0.01 0.00 0.04 -0.04 2.98 2.99 2b2fA1 TYR 390 HD2 0.00 0.01 -0.01 -0.04 7.15 7.11 2b2fA1 TYR 390 HE2 -0.01 -0.00 -0.02 -0.04 6.85 6.78 2b2fA1 THR 391 H 0.12 0.25 0.04 -0.55 8.28 8.14 2b2fA1 THR 391 HA 0.05 0.21 0.59 -0.75 4.39 4.49 2b2fA1 THR 391 HB 0.03 0.02 0.01 -0.04 4.32 4.34 2b2fA1 THR 391 HG23 0.02 0.01 0.03 -0.04 1.22 1.24