============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 68 rings ring int. center anis. iso. PHE 12 1.000 -38.608 1.665 -12.986 -99.200 -91.000 HIS 26 0.900 -56.437 -4.134 -1.862 -99.200 -91.000 HIS 29 0.900 -48.780 7.344 3.475 -99.200 -91.000 HIS 36 0.900 -34.900 13.014 -6.035 -99.200 -91.000 TYR 42 0.840 -34.835 12.659 -9.828 -99.200 -91.000 HIS 54 0.900 -30.320 8.665 -17.992 -99.200 -91.000 TYR 56 0.840 -30.008 9.082 -7.394 -99.200 -91.000 HIS 59 0.900 -30.255 3.868 -13.464 -99.200 -91.000 PHE 61 1.000 -36.823 -1.399 -19.088 -99.200 -91.000 HIS 62 0.900 -30.288 -3.992 -19.787 -99.200 -91.000 TRP 69 1.040 -40.931 -3.815 -25.299 -99.200 -91.000 TRP6 69 1.020 -39.219 -2.174 -25.148 -99.200 -91.000 TYR 71 0.840 -46.163 -2.068 -15.318 -99.200 -91.000 HIS 75 0.900 -47.717 2.867 -16.467 -99.200 -91.000 TYR 81 0.840 -29.015 4.375 -25.959 -99.200 -91.000 PHE 94 1.000 -8.096 -1.578 -27.410 -99.200 -91.000 HIS 101 0.900 -12.558 -2.271 -34.744 -99.200 -91.000 PHE 106 1.000 -4.611 -5.965 -26.326 -99.200 -91.000 PHE 107 1.000 -3.776 -9.953 -29.004 -99.200 -91.000 PHE 134 1.000 -12.562 -11.886 -12.697 -99.200 -91.000 PHE 141 1.000 -13.117 -18.824 -19.520 -99.200 -91.000 TYR 147 0.840 -6.099 -10.787 -14.984 -99.200 -91.000 PHE 150 1.000 -9.463 -4.672 -23.482 -99.200 -91.000 PHE 151 1.000 -12.338 -9.445 -18.315 -99.200 -91.000 TYR 154 0.840 -14.341 -1.313 -15.347 -99.200 -91.000 TRP 159 1.040 -16.443 -5.700 -8.402 -99.200 -91.000 TRP6 159 1.020 -18.574 -5.216 -7.485 -99.200 -91.000 PHE 178 1.000 -14.038 -15.943 -30.547 -99.200 -91.000 TYR 180 0.840 -15.287 -7.160 -37.434 -99.200 -91.000 TYR 184 0.840 -21.506 -3.721 -22.089 -99.200 -91.000 PHE 185 1.000 -26.583 -3.634 -21.422 -99.200 -91.000 HIS 187 0.900 -30.560 -7.809 -21.536 -99.200 -91.000 PHE 189 1.000 -39.299 -7.403 -26.389 -99.200 -91.000 TYR 197 0.840 -34.978 4.972 -17.300 -99.200 -91.000 HIS 207 0.900 -55.561 3.930 -9.185 -99.200 -91.000 PHE 218 1.000 -40.782 2.004 8.390 -99.200 -91.000 HIS 225 0.900 -50.362 4.685 12.686 -99.200 -91.000 TYR 226 0.840 -49.863 2.675 6.766 -99.200 -91.000 HIS 228 0.900 -47.733 -7.402 3.952 -99.200 -91.000 PHE 230 1.000 -46.529 -5.204 -0.368 -99.200 -91.000 TYR 231 0.840 -37.910 -0.872 4.974 -99.200 -91.000 PHE 238 1.000 -37.837 -3.344 9.335 -99.200 -91.000 TYR 239 0.840 -34.637 -6.435 10.982 -99.200 -91.000 TYR 241 0.840 -27.237 0.593 8.799 -99.200 -91.000 TYR 243 0.840 -28.008 -9.493 14.113 -99.200 -91.000 TYR 248 0.840 -25.333 -2.252 -0.861 -99.200 -91.000 PHE 253 1.000 -22.733 8.563 -10.136 -99.200 -91.000 PHE 256 1.000 -16.861 16.622 -16.900 -99.200 -91.000 TYR 258 0.840 -15.964 19.949 -23.816 -99.200 -91.000 TYR 262 0.840 -14.972 15.268 -21.415 -99.200 -91.000 TYR 270 0.840 -11.394 7.208 -19.628 -99.200 -91.000 TYR 277 0.840 -11.417 9.799 -15.072 -99.200 -91.000 HIS 283 0.900 -25.771 11.771 -17.306 -99.200 -91.000 TYR 285 0.840 -23.039 11.437 -27.791 -99.200 -91.000 PHE 286 1.000 -26.811 7.063 -21.216 -99.200 -91.000 TRP 289 1.040 -35.501 11.506 -27.873 -99.200 -91.000 TRP6 289 1.020 -34.575 9.594 -26.818 -99.200 -91.000 HIS 292 0.900 -30.392 18.512 -25.018 -99.200 -91.000 TYR 298 0.840 -23.605 12.596 -13.165 -99.200 -91.000 TYR 301 0.840 -13.619 10.328 -9.513 -99.200 -91.000 TYR 312 0.840 -24.578 4.783 -6.052 -99.200 -91.000 TYR 313 0.840 -22.365 -0.898 -9.185 -99.200 -91.000 TYR 327 0.840 -28.673 -7.088 9.415 -99.200 -91.000 PHE 339 1.000 -37.871 -6.545 5.546 -99.200 -91.000 TYR 346 0.840 -25.808 -7.453 0.549 -99.200 -91.000 TYR 348 0.840 -27.162 -4.201 -10.776 -99.200 -91.000 TYR 365 0.840 -51.156 -7.764 0.330 -99.200 -91.000 PHE 378 1.000 -36.728 -11.650 2.629 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bi8A1 SER 3 H 0.06 0.05 0.06 -0.55 8.46 8.08 2bi8A1 SER 3 HA 0.15 0.10 0.50 -0.75 4.49 4.48 2bi8A1 SER 3 HB2 0.01 0.04 0.12 -0.04 3.95 4.08 2bi8A1 SER 3 HB3 0.06 -0.11 0.19 -0.04 3.93 4.03 2bi8A1 LYS 4 H 0.81 0.16 0.20 -0.55 8.42 9.04 2bi8A1 LYS 4 HA 0.14 0.11 0.47 -0.75 4.32 4.28 2bi8A1 LYS 4 HB2 -0.03 -0.04 0.01 -0.04 1.87 1.77 2bi8A1 LYS 4 HB3 0.13 -0.05 -0.04 -0.04 1.79 1.80 2bi8A1 LYS 4 HG2 0.11 0.28 -0.01 -0.04 1.46 1.80 2bi8A1 LYS 4 HG3 -0.02 0.00 -0.03 -0.04 1.46 1.37 2bi8A1 LYS 4 HD2 0.09 -0.02 -0.03 -0.04 1.69 1.69 2bi8A1 LYS 4 HD3 0.09 -0.04 -0.10 -0.04 1.68 1.58 2bi8A1 LYS 4 HE2 0.05 0.06 -0.07 -0.04 2.99 3.00 2bi8A1 LYS 4 HE3 -0.01 0.02 -0.02 -0.04 2.99 2.95 2bi8A1 LYS 5 H 0.13 0.14 0.21 -0.55 8.42 8.34 2bi8A1 LYS 5 HA 0.18 0.28 0.94 -0.75 4.32 4.97 2bi8A1 LYS 5 HB2 0.08 -0.06 0.30 -0.04 1.87 2.15 2bi8A1 LYS 5 HB3 0.12 0.06 0.14 -0.04 1.79 2.07 2bi8A1 LYS 5 HG2 -0.02 0.03 0.08 -0.04 1.46 1.50 2bi8A1 LYS 5 HG3 0.08 0.05 0.09 -0.04 1.46 1.64 2bi8A1 LYS 5 HD2 0.09 0.03 -0.18 -0.04 1.69 1.59 2bi8A1 LYS 5 HD3 0.05 -0.02 0.07 -0.04 1.68 1.74 2bi8A1 LYS 5 HE2 0.02 -0.02 0.01 -0.04 2.99 2.96 2bi8A1 LYS 5 HE3 0.04 0.03 -0.00 -0.04 2.99 3.01 2bi8A1 ILE 6 H 0.23 0.66 0.26 -0.55 8.25 8.84 2bi8A1 ILE 6 HA 0.12 0.22 0.89 -0.75 4.18 4.65 2bi8A1 ILE 6 HB 0.13 -0.04 -0.01 -0.04 1.89 1.93 2bi8A1 ILE 6 HG12 0.14 0.05 -0.40 -0.04 1.49 1.25 2bi8A1 ILE 6 HG13 0.12 -0.01 -0.21 -0.04 1.21 1.07 2bi8A1 ILE 6 HG23 0.16 -0.02 -0.29 -0.04 0.93 0.74 2bi8A1 ILE 6 HD13 0.05 0.01 -0.26 -0.04 0.88 0.64 2bi8A1 LEU 7 H -0.22 0.48 0.35 -0.55 8.37 8.43 2bi8A1 LEU 7 HA -0.35 0.30 1.09 -0.75 4.35 4.63 2bi8A1 LEU 7 HB2 -1.92 0.05 0.02 -0.04 1.64 -0.26 2bi8A1 LEU 7 HB3 -0.50 -0.03 0.14 -0.04 1.64 1.21 2bi8A1 LEU 7 HG -0.27 -0.07 -0.30 -0.04 1.64 0.96 2bi8A1 LEU 7 HD13 -0.38 0.05 -0.01 -0.04 0.93 0.55 2bi8A1 LEU 7 HD23 0.02 -0.03 -0.14 -0.04 0.89 0.71 2bi8A1 ILE 8 H -0.16 0.87 0.39 -0.55 8.25 8.80 2bi8A1 ILE 8 HA -0.06 0.24 1.13 -0.75 4.18 4.74 2bi8A1 ILE 8 HB -0.07 -0.06 0.11 -0.04 1.89 1.82 2bi8A1 ILE 8 HG12 0.08 0.02 -0.39 -0.04 1.49 1.16 2bi8A1 ILE 8 HG13 -0.00 0.05 -0.23 -0.04 1.21 0.98 2bi8A1 ILE 8 HG23 -0.06 -0.01 -0.07 -0.04 0.93 0.75 2bi8A1 ILE 8 HD13 -0.07 0.02 -0.09 -0.04 0.88 0.70 2bi8A1 VAL 9 H -0.18 0.74 0.36 -0.55 8.24 8.61 2bi8A1 VAL 9 HA -0.20 0.20 1.01 -0.75 4.13 4.39 2bi8A1 VAL 9 HB -0.64 -0.17 0.34 -0.04 2.12 1.62 2bi8A1 VAL 9 HG13 -0.42 -0.01 -0.01 -0.04 0.97 0.48 2bi8A1 VAL 9 HG23 -0.40 0.05 -0.09 -0.04 0.95 0.47 2bi8A1 GLY 10 H -0.16 0.72 0.25 -0.55 8.43 8.70 2bi8A1 GLY 10 HA2 -0.16 -0.08 0.49 -0.51 4.01 3.75 2bi8A1 GLY 10 HA3 -0.17 0.08 0.84 -0.51 4.01 4.25 2bi8A1 ALA 11 H -0.13 0.10 0.10 -0.55 8.40 7.93 2bi8A1 ALA 11 HA -0.09 0.33 0.79 -0.75 4.34 4.61 2bi8A1 ALA 11 HB3 -0.09 0.04 0.01 -0.04 1.41 1.34 2bi8A1 GLY 12 H -0.11 0.04 -0.27 -0.55 8.43 7.54 2bi8A1 GLY 12 HA2 -0.18 0.20 0.13 -0.51 4.01 3.65 2bi8A1 GLY 12 HA3 -0.10 -0.01 0.20 -0.51 4.01 3.59 2bi8A1 PHE 13 H -0.03 0.17 0.07 -0.55 8.34 8.00 2bi8A1 PHE 13 HA -0.02 0.17 0.39 -0.75 4.62 4.40 2bi8A1 PHE 13 HB2 -0.02 -0.07 0.12 -0.04 3.15 3.14 2bi8A1 PHE 13 HB3 -0.01 0.05 -0.08 -0.04 3.06 2.97 2bi8A1 PHE 13 HD2 0.01 -0.01 0.02 -0.04 7.28 7.26 2bi8A1 PHE 13 HE2 -0.00 0.06 -0.05 -0.04 7.38 7.35 2bi8A1 PHE 13 HZ 0.23 0.03 -0.04 -0.04 7.32 7.50 2bi8A1 SER 14 H 0.07 0.02 -0.20 -0.55 8.46 7.81 2bi8A1 SER 14 HA -0.00 0.11 0.23 -0.75 4.49 4.07 2bi8A1 SER 14 HB2 -0.02 -0.10 -0.00 -0.04 3.95 3.79 2bi8A1 SER 14 HB3 -0.02 0.14 -0.19 -0.04 3.93 3.82 2bi8A1 GLY 15 H -0.05 -0.07 -0.38 -0.55 8.43 7.38 2bi8A1 GLY 15 HA2 -0.08 0.05 0.22 -0.51 4.01 3.69 2bi8A1 GLY 15 HA3 -0.08 0.39 0.20 -0.51 4.01 4.01 2bi8A1 ALA 16 H -0.06 0.52 -0.26 -0.55 8.40 8.06 2bi8A1 ALA 16 HA -0.05 0.07 0.23 -0.75 4.34 3.84 2bi8A1 ALA 16 HB3 -0.07 -0.00 -0.09 -0.04 1.41 1.21 2bi8A1 VAL 17 H 0.01 0.59 -0.18 -0.55 8.24 8.10 2bi8A1 VAL 17 HA 0.04 0.08 0.36 -0.75 4.13 3.86 2bi8A1 VAL 17 HB -0.03 0.03 0.01 -0.04 2.12 2.09 2bi8A1 VAL 17 HG13 -0.22 0.01 -0.20 -0.04 0.97 0.52 2bi8A1 VAL 17 HG23 0.12 -0.02 -0.03 -0.04 0.95 0.98 2bi8A1 ILE 18 H -0.11 0.50 -0.08 -0.55 8.25 8.01 2bi8A1 ILE 18 HA -0.20 0.07 0.50 -0.75 4.18 3.79 2bi8A1 ILE 18 HB -0.29 0.04 0.08 -0.04 1.89 1.68 2bi8A1 ILE 18 HG12 -0.35 0.03 0.03 -0.04 1.49 1.16 2bi8A1 ILE 18 HG13 -0.18 -0.07 0.10 -0.04 1.21 1.01 2bi8A1 ILE 18 HG23 -1.00 -0.01 -0.20 -0.04 0.93 -0.31 2bi8A1 ILE 18 HD13 -0.26 -0.03 -0.13 -0.04 0.88 0.43 2bi8A1 GLY 19 H -0.11 0.62 -0.18 -0.55 8.43 8.22 2bi8A1 GLY 19 HA2 -0.06 -0.03 0.23 -0.51 4.01 3.65 2bi8A1 GLY 19 HA3 -0.05 0.09 0.22 -0.51 4.01 3.77 2bi8A1 ARG 20 H -0.03 0.55 -0.20 -0.55 8.46 8.23 2bi8A1 ARG 20 HA -0.08 0.01 0.38 -0.75 4.34 3.90 2bi8A1 ARG 20 HB2 -0.01 0.22 0.09 -0.04 1.90 2.16 2bi8A1 ARG 20 HB3 0.04 -0.06 0.10 -0.04 1.80 1.84 2bi8A1 ARG 20 HG2 0.02 -0.01 0.01 -0.04 1.67 1.65 2bi8A1 ARG 20 HG3 0.06 -0.09 -0.17 -0.04 1.67 1.43 2bi8A1 ARG 20 HD2 -0.10 -0.16 0.05 -0.04 3.22 2.97 2bi8A1 ARG 20 HD3 0.04 0.15 -0.07 -0.04 3.22 3.30 2bi8A1 GLN 21 H -0.02 0.50 -0.13 -0.55 8.47 8.28 2bi8A1 GLN 21 HA 0.02 0.00 0.44 -0.75 4.36 4.08 2bi8A1 GLN 21 HB2 -0.05 0.12 0.16 -0.04 2.15 2.34 2bi8A1 GLN 21 HB3 0.00 -0.05 -0.02 -0.04 2.02 1.91 2bi8A1 GLN 21 HG2 -0.01 0.29 0.10 -0.04 2.40 2.75 2bi8A1 GLN 21 HG3 -0.03 -0.09 0.03 -0.04 2.39 2.25 2bi8A1 GLN 21 HE21 0.08 -0.02 -0.02 -0.04 6.97 6.97 2bi8A1 GLN 21 HE22 0.03 0.01 -0.00 -0.04 7.69 7.68 2bi8A1 LEU 22 H -0.03 0.54 -0.21 -0.55 8.37 8.13 2bi8A1 LEU 22 HA 0.17 0.05 0.44 -0.75 4.35 4.25 2bi8A1 LEU 22 HB2 0.02 0.11 0.02 -0.04 1.64 1.75 2bi8A1 LEU 22 HB3 0.16 -0.04 -0.09 -0.04 1.64 1.63 2bi8A1 LEU 22 HG -0.12 0.13 -0.03 -0.04 1.64 1.57 2bi8A1 LEU 22 HD13 -0.05 -0.02 -0.16 -0.04 0.93 0.66 2bi8A1 LEU 22 HD23 0.18 -0.01 -0.09 -0.04 0.89 0.93 2bi8A1 ALA 23 H -0.05 0.64 -0.07 -0.55 8.40 8.37 2bi8A1 ALA 23 HA -0.02 0.24 0.42 -0.75 4.34 4.22 2bi8A1 ALA 23 HB3 -0.27 -0.02 0.01 -0.04 1.41 1.08 2bi8A1 GLU 24 H -0.17 0.52 -0.26 -0.55 8.60 8.14 2bi8A1 GLU 24 HA -0.09 0.00 0.44 -0.75 4.29 3.88 2bi8A1 GLU 24 HB2 -0.03 0.15 0.12 -0.04 2.09 2.28 2bi8A1 GLU 24 HB3 0.01 -0.07 0.06 -0.04 1.99 1.95 2bi8A1 GLU 24 HG2 0.03 -0.07 0.04 -0.04 2.34 2.30 2bi8A1 GLU 24 HG3 -0.14 0.17 0.07 -0.04 2.34 2.40 2bi8A1 LYS 25 H -0.01 0.32 -0.47 -0.55 8.42 7.71 2bi8A1 LYS 25 HA -0.04 0.12 0.81 -0.75 4.32 4.45 2bi8A1 LYS 25 HB2 0.10 0.07 0.13 -0.04 1.87 2.13 2bi8A1 LYS 25 HB3 -0.04 -0.03 0.19 -0.04 1.79 1.87 2bi8A1 LYS 25 HG2 0.03 0.06 -0.06 -0.04 1.46 1.45 2bi8A1 LYS 25 HG3 0.07 -0.05 0.01 -0.04 1.46 1.45 2bi8A1 LYS 25 HD2 0.02 -0.05 0.01 -0.04 1.69 1.64 2bi8A1 LYS 25 HD3 -0.01 0.05 0.06 -0.04 1.68 1.75 2bi8A1 LYS 25 HE2 0.01 -0.03 -0.03 -0.04 2.99 2.90 2bi8A1 LYS 25 HE3 0.02 0.03 -0.16 -0.04 2.99 2.84 2bi8A1 GLY 26 H -0.08 0.51 -0.32 -0.55 8.43 7.99 2bi8A1 GLY 26 HA2 -0.03 -0.01 0.26 -0.51 4.01 3.73 2bi8A1 GLY 26 HA3 -0.13 0.04 0.27 -0.51 4.01 3.67 2bi8A1 HIS 27 H -0.15 0.28 -0.17 -0.55 8.41 7.83 2bi8A1 HIS 27 HA 0.07 0.04 0.69 -0.75 4.63 4.67 2bi8A1 HIS 27 HB2 0.08 -0.04 -0.16 -0.04 3.26 3.10 2bi8A1 HIS 27 HB3 0.12 0.12 0.04 -0.04 3.20 3.44 2bi8A1 HIS 27 HD2 0.08 0.01 0.03 -0.04 6.97 7.04 2bi8A1 HIS 27 HE1 0.03 0.24 0.06 -0.04 7.75 8.04 2bi8A1 GLN 28 H 0.19 0.49 0.15 -0.55 8.47 8.76 2bi8A1 GLN 28 HA 0.11 0.22 0.91 -0.75 4.36 4.85 2bi8A1 GLN 28 HB2 0.12 -0.05 0.19 -0.04 2.15 2.36 2bi8A1 GLN 28 HB3 0.09 -0.01 0.05 -0.04 2.02 2.10 2bi8A1 GLN 28 HG2 0.06 0.01 -0.03 -0.04 2.40 2.40 2bi8A1 GLN 28 HG3 0.08 0.05 -0.11 -0.04 2.39 2.37 2bi8A1 GLN 28 HE21 0.04 -0.04 -0.01 -0.04 6.97 6.92 2bi8A1 GLN 28 HE22 0.07 0.06 -0.05 -0.04 7.69 7.73 2bi8A1 VAL 29 H 0.11 0.68 0.28 -0.55 8.24 8.76 2bi8A1 VAL 29 HA 0.14 0.08 0.69 -0.75 4.13 4.27 2bi8A1 VAL 29 HB 0.06 0.03 0.10 -0.04 2.12 2.27 2bi8A1 VAL 29 HG13 0.03 -0.06 -0.19 -0.04 0.97 0.72 2bi8A1 VAL 29 HG23 0.07 0.09 -0.17 -0.04 0.95 0.91 2bi8A1 HIS 30 H 0.17 0.78 0.40 -0.55 8.41 9.22 2bi8A1 HIS 30 HA 0.05 0.20 1.09 -0.75 4.63 5.22 2bi8A1 HIS 30 HB2 0.19 0.03 -0.00 -0.04 3.26 3.44 2bi8A1 HIS 30 HB3 0.07 0.00 0.27 -0.04 3.20 3.50 2bi8A1 HIS 30 HD2 0.05 0.20 -0.03 -0.04 6.97 7.14 2bi8A1 HIS 30 HE1 0.13 -0.04 -0.09 -0.04 7.75 7.70 2bi8A1 ILE 31 H 0.10 0.84 0.36 -0.55 8.25 9.01 2bi8A1 ILE 31 HA -0.12 0.18 1.05 -0.75 4.18 4.53 2bi8A1 ILE 31 HB -0.02 -0.03 0.07 -0.04 1.89 1.87 2bi8A1 ILE 31 HG12 -0.02 -0.00 -0.27 -0.04 1.49 1.15 2bi8A1 ILE 31 HG13 0.02 0.10 -0.18 -0.04 1.21 1.11 2bi8A1 ILE 31 HG23 -0.08 -0.03 -0.22 -0.04 0.93 0.55 2bi8A1 ILE 31 HD13 -0.03 -0.02 -0.18 -0.04 0.88 0.61 2bi8A1 ILE 32 H -0.18 0.59 0.39 -0.55 8.25 8.50 2bi8A1 ILE 32 HA -0.10 0.33 1.09 -0.75 4.18 4.74 2bi8A1 ILE 32 HB -0.08 0.11 -0.02 -0.04 1.89 1.86 2bi8A1 ILE 32 HG12 -0.15 0.15 0.09 -0.04 1.49 1.53 2bi8A1 ILE 32 HG13 -0.09 -0.19 -0.09 -0.04 1.21 0.80 2bi8A1 ILE 32 HG23 -0.34 0.01 -0.19 -0.04 0.93 0.37 2bi8A1 ILE 32 HD13 0.08 0.00 -0.23 -0.04 0.88 0.69 2bi8A1 ASP 33 H -0.07 0.71 0.32 -0.55 8.40 8.80 2bi8A1 ASP 33 HA -0.12 -0.01 0.71 -0.75 4.63 4.46 2bi8A1 ASP 33 HB2 -0.11 -0.01 -0.18 -0.04 2.71 2.36 2bi8A1 ASP 33 HB3 -0.13 0.13 0.03 -0.04 2.70 2.69 2bi8A1 GLN 34 H -0.10 0.08 0.10 -0.55 8.47 8.00 2bi8A1 GLN 34 HA -0.05 0.05 -0.02 -0.75 4.36 3.58 2bi8A1 GLN 34 HB2 -0.04 0.07 -0.04 -0.04 2.15 2.09 2bi8A1 GLN 34 HB3 -0.04 -0.02 0.01 -0.04 2.02 1.93 2bi8A1 GLN 34 HG2 -0.11 -0.18 0.09 -0.04 2.40 2.16 2bi8A1 GLN 34 HG3 -0.09 0.05 -0.19 -0.04 2.39 2.12 2bi8A1 GLN 34 HE21 -0.07 0.05 0.02 -0.04 6.97 6.93 2bi8A1 GLN 34 HE22 -0.10 -0.04 0.00 -0.04 7.69 7.51 2bi8A1 ARG 35 H -0.17 -0.06 -0.22 -0.55 8.46 7.45 2bi8A1 ARG 35 HA -0.18 0.16 0.51 -0.75 4.34 4.07 2bi8A1 ARG 35 HB2 -0.38 -0.02 0.11 -0.04 1.90 1.57 2bi8A1 ARG 35 HB3 -0.86 0.00 0.09 -0.04 1.80 0.99 2bi8A1 ARG 35 HG2 -0.19 0.07 0.03 -0.04 1.67 1.54 2bi8A1 ARG 35 HG3 -0.17 -0.03 -0.03 -0.04 1.67 1.40 2bi8A1 ARG 35 HD2 -0.26 -0.12 0.02 -0.04 3.22 2.81 2bi8A1 ARG 35 HD3 -0.24 0.07 -0.03 -0.04 3.22 2.99 2bi8A1 ASP 36 H -0.20 0.17 0.14 -0.55 8.40 7.96 2bi8A1 ASP 36 HA -0.08 0.12 0.70 -0.75 4.63 4.62 2bi8A1 ASP 36 HB2 0.00 0.05 0.18 -0.04 2.71 2.89 2bi8A1 ASP 36 HB3 -0.02 0.03 0.13 -0.04 2.70 2.80 2bi8A1 HIS 37 H -0.52 0.10 -0.57 -0.55 8.41 6.88 2bi8A1 HIS 37 HA -0.08 0.12 0.53 -0.75 4.63 4.44 2bi8A1 HIS 37 HB2 -0.30 0.06 0.05 -0.04 3.26 3.03 2bi8A1 HIS 37 HB3 -0.19 0.14 -0.14 -0.04 3.20 2.96 2bi8A1 HIS 37 HD2 -0.78 0.21 -0.21 -0.04 6.97 6.15 2bi8A1 HIS 37 HE1 -0.09 0.03 -0.05 -0.04 7.75 7.60 2bi8A1 ILE 38 H 0.05 0.17 0.07 -0.55 8.25 7.99 2bi8A1 ILE 38 HA -0.07 0.01 0.53 -0.75 4.18 3.90 2bi8A1 ILE 38 HB -0.03 0.07 0.10 -0.04 1.89 1.99 2bi8A1 ILE 38 HG12 0.08 -0.02 0.01 -0.04 1.49 1.52 2bi8A1 ILE 38 HG13 0.10 -0.05 -0.45 -0.04 1.21 0.76 2bi8A1 ILE 38 HG23 -0.01 0.02 -0.03 -0.04 0.93 0.87 2bi8A1 ILE 38 HD13 0.00 0.04 -0.12 -0.04 0.88 0.76 2bi8A1 GLY 39 H -0.08 0.60 0.05 -0.55 8.43 8.45 2bi8A1 GLY 39 HA2 -0.14 0.04 0.28 -0.51 4.01 3.67 2bi8A1 GLY 39 HA3 0.09 0.19 0.62 -0.51 4.01 4.39 2bi8A1 GLY 40 H -0.10 0.19 -0.37 -0.55 8.43 7.61 2bi8A1 GLY 40 HA2 -0.20 0.10 0.28 -0.51 4.01 3.67 2bi8A1 GLY 40 HA3 -0.15 -0.09 0.53 -0.51 4.01 3.79 2bi8A1 ASN 41 H -0.19 0.09 0.22 -0.55 8.53 8.11 2bi8A1 ASN 41 HA -0.68 0.17 0.48 -0.75 4.76 3.97 2bi8A1 ASN 41 HB2 -0.10 -0.08 0.19 -0.04 2.88 2.84 2bi8A1 ASN 41 HB3 0.07 0.13 0.14 -0.04 2.79 3.09 2bi8A1 ASN 41 HD21 -0.56 0.06 0.04 -0.04 7.03 6.53 2bi8A1 ASN 41 HD22 -0.06 0.05 0.09 -0.04 7.74 7.78 2bi8A1 SER 42 H -0.14 0.21 -0.42 -0.55 8.46 7.56 2bi8A1 SER 42 HA -0.94 0.21 0.56 -0.75 4.49 3.56 2bi8A1 SER 42 HB2 -0.21 0.09 0.02 -0.04 3.95 3.81 2bi8A1 SER 42 HB3 -0.24 -0.03 0.09 -0.04 3.93 3.71 2bi8A1 TYR 43 H 0.11 0.32 -0.50 -0.55 8.29 7.66 2bi8A1 TYR 43 HA -0.01 -0.09 0.34 -0.75 4.56 4.05 2bi8A1 TYR 43 HB2 0.12 0.04 0.04 -0.04 3.06 3.22 2bi8A1 TYR 43 HB3 0.35 0.03 0.01 -0.04 2.98 3.34 2bi8A1 TYR 43 HD2 0.00 -0.01 -0.08 -0.04 7.15 7.03 2bi8A1 TYR 43 HE2 -0.21 -0.03 -0.09 -0.04 6.85 6.48 2bi8A1 ASP 44 H -0.36 0.08 0.29 -0.55 8.40 7.86 2bi8A1 ASP 44 HA -0.30 0.19 0.88 -0.75 4.63 4.65 2bi8A1 ASP 44 HB2 0.01 0.07 -0.07 -0.04 2.71 2.68 2bi8A1 ASP 44 HB3 0.09 0.04 0.01 -0.04 2.70 2.80 2bi8A1 ALA 45 H -0.29 0.56 0.33 -0.55 8.40 8.46 2bi8A1 ALA 45 HA -0.26 0.12 0.70 -0.75 4.34 4.15 2bi8A1 ALA 45 HB3 -0.24 0.03 -0.09 -0.04 1.41 1.06 2bi8A1 ARG 46 H -0.10 0.19 0.09 -0.55 8.46 8.09 2bi8A1 ARG 46 HA -0.13 0.21 0.61 -0.75 4.34 4.28 2bi8A1 ARG 46 HB2 -0.06 -0.02 0.09 -0.04 1.90 1.88 2bi8A1 ARG 46 HB3 -0.07 0.09 -0.17 -0.04 1.80 1.61 2bi8A1 ARG 46 HG2 -0.08 -0.04 -0.24 -0.04 1.67 1.27 2bi8A1 ARG 46 HG3 -0.05 -0.03 -0.06 -0.04 1.67 1.49 2bi8A1 ARG 46 HD2 -0.02 -0.02 -0.03 -0.04 3.22 3.11 2bi8A1 ARG 46 HD3 -0.03 0.18 -0.09 -0.04 3.22 3.23 2bi8A1 ASP 47 H -0.16 0.58 0.24 -0.55 8.40 8.51 2bi8A1 ASP 47 HA -0.08 0.04 0.48 -0.75 4.63 4.32 2bi8A1 ASP 47 HB2 -0.15 0.14 0.15 -0.04 2.71 2.81 2bi8A1 ASP 47 HB3 -0.14 -0.20 0.14 -0.04 2.70 2.46 2bi8A1 SER 48 H -0.04 0.14 0.20 -0.55 8.46 8.21 2bi8A1 SER 48 HA -0.03 0.19 0.32 -0.75 4.49 4.21 2bi8A1 SER 48 HB2 -0.01 0.06 0.01 -0.04 3.95 3.96 2bi8A1 SER 48 HB3 -0.02 0.07 0.11 -0.04 3.93 4.05 2bi8A1 GLU 49 H -0.03 0.01 -0.05 -0.55 8.60 7.98 2bi8A1 GLU 49 HA -0.02 0.18 0.49 -0.75 4.29 4.19 2bi8A1 GLU 49 HB2 -0.01 0.01 0.06 -0.04 2.09 2.11 2bi8A1 GLU 49 HB3 -0.02 -0.07 0.02 -0.04 1.99 1.87 2bi8A1 GLU 49 HG2 -0.01 0.04 -0.08 -0.04 2.34 2.24 2bi8A1 GLU 49 HG3 -0.01 0.03 0.01 -0.04 2.34 2.33 2bi8A1 THR 50 H -0.06 -0.06 -0.31 -0.55 8.28 7.30 2bi8A1 THR 50 HA -0.03 0.24 0.74 -0.75 4.39 4.59 2bi8A1 THR 50 HB -0.06 -0.03 -0.15 -0.04 4.32 4.03 2bi8A1 THR 50 HG23 -0.16 -0.10 -0.11 -0.04 1.22 0.80 2bi8A1 ASN 51 H -0.07 0.36 -0.17 -0.55 8.53 8.11 2bi8A1 ASN 51 HA -0.08 0.17 0.20 -0.75 4.76 4.30 2bi8A1 ASN 51 HB2 0.01 0.02 -0.17 -0.04 2.88 2.69 2bi8A1 ASN 51 HB3 0.08 0.11 0.18 -0.04 2.79 3.13 2bi8A1 ASN 51 HD21 0.05 -0.02 0.04 -0.04 7.03 7.05 2bi8A1 ASN 51 HD22 0.12 0.04 0.06 -0.04 7.74 7.92 2bi8A1 VAL 52 H -0.26 -0.10 -0.39 -0.55 8.24 6.95 2bi8A1 VAL 52 HA -0.79 0.20 0.63 -0.75 4.13 3.42 2bi8A1 VAL 52 HB -0.27 -0.15 0.03 -0.04 2.12 1.68 2bi8A1 VAL 52 HG13 -0.25 -0.00 -0.31 -0.04 0.97 0.37 2bi8A1 VAL 52 HG23 -0.43 0.01 -0.03 -0.04 0.95 0.45 2bi8A1 MET 53 H -0.23 0.25 0.08 -0.55 8.47 8.03 2bi8A1 MET 53 HA -0.14 0.04 0.47 -0.75 4.52 4.13 2bi8A1 MET 53 HB2 -0.06 0.09 0.06 -0.04 2.15 2.21 2bi8A1 MET 53 HB3 -0.08 0.02 0.06 -0.04 2.03 1.99 2bi8A1 MET 53 HG2 0.06 0.06 -0.16 -0.04 2.63 2.55 2bi8A1 MET 53 HG3 0.07 -0.05 -0.26 -0.04 2.56 2.27 2bi8A1 MET 53 HE3 -0.12 0.05 -0.49 -0.04 2.10 1.49 2bi8A1 VAL 54 H -0.22 0.73 0.33 -0.55 8.24 8.53 2bi8A1 VAL 54 HA -0.67 0.11 0.77 -0.75 4.13 3.59 2bi8A1 VAL 54 HB -0.32 0.02 0.12 -0.04 2.12 1.90 2bi8A1 VAL 54 HG13 -0.94 0.00 -0.24 -0.04 0.97 -0.25 2bi8A1 VAL 54 HG23 -0.33 0.04 -0.05 -0.04 0.95 0.57 2bi8A1 HIS 55 H -0.38 0.17 0.05 -0.55 8.41 7.71 2bi8A1 HIS 55 HA -0.08 0.10 0.81 -0.75 4.63 4.71 2bi8A1 HIS 55 HB2 0.19 -0.07 -0.03 -0.04 3.26 3.31 2bi8A1 HIS 55 HB3 0.10 0.24 0.00 -0.04 3.20 3.49 2bi8A1 HIS 55 HD2 -0.47 -0.22 0.11 -0.04 6.97 6.34 2bi8A1 HIS 55 HE1 0.05 0.03 -0.06 -0.04 7.75 7.73 2bi8A1 VAL 56 H -0.03 0.47 0.24 -0.55 8.24 8.37 2bi8A1 VAL 56 HA -0.05 -0.01 0.00 -0.75 4.13 3.32 2bi8A1 VAL 56 HB -0.03 0.11 0.01 -0.04 2.12 2.17 2bi8A1 VAL 56 HG13 -0.53 -0.01 -0.14 -0.04 0.97 0.25 2bi8A1 VAL 56 HG23 -0.08 -0.00 -0.08 -0.04 0.95 0.75 2bi8A1 TYR 57 H 0.21 0.22 -0.17 -0.55 8.29 8.00 2bi8A1 TYR 57 HA 0.21 0.14 0.75 -0.75 4.56 4.91 2bi8A1 TYR 57 HB2 0.20 0.29 0.18 -0.04 3.06 3.69 2bi8A1 TYR 57 HB3 0.39 -0.03 0.20 -0.04 2.98 3.50 2bi8A1 TYR 57 HD2 0.19 0.09 -0.03 -0.04 7.15 7.37 2bi8A1 TYR 57 HE2 0.20 -0.01 -0.06 -0.04 6.85 6.93 2bi8A1 GLY 58 H -0.02 0.34 -0.47 -0.55 8.43 7.74 2bi8A1 GLY 58 HA2 -0.03 -0.01 0.24 -0.51 4.01 3.70 2bi8A1 GLY 58 HA3 0.21 0.16 0.62 -0.51 4.01 4.49 2bi8A1 PRO 59 HA 0.16 -0.03 0.38 -0.51 4.44 4.44 2bi8A1 PRO 59 HB2 0.18 0.01 0.00 -0.04 2.28 2.43 2bi8A1 PRO 59 HB3 0.30 0.01 -0.03 -0.04 2.02 2.26 2bi8A1 PRO 59 HG2 0.24 0.05 -0.00 -0.04 2.03 2.28 2bi8A1 PRO 59 HG3 0.30 0.02 0.02 -0.04 2.03 2.34 2bi8A1 PRO 59 HD2 0.25 0.14 0.13 -0.04 3.68 4.15 2bi8A1 PRO 59 HD3 0.21 0.10 0.12 -0.04 3.65 4.04 2bi8A1 HIS 60 H 0.00 0.16 0.15 -0.55 8.41 8.18 2bi8A1 HIS 60 HA -0.07 0.13 0.84 -0.75 4.63 4.77 2bi8A1 HIS 60 HB2 -0.50 -0.00 0.15 -0.04 3.26 2.87 2bi8A1 HIS 60 HB3 -0.61 -0.10 0.01 -0.04 3.20 2.46 2bi8A1 HIS 60 HD2 -0.18 -0.17 -0.02 -0.04 6.97 6.56 2bi8A1 HIS 60 HE1 0.18 0.14 -0.17 -0.04 7.75 7.85 2bi8A1 ILE 61 H -0.04 0.23 0.05 -0.55 8.25 7.95 2bi8A1 ILE 61 HA 0.16 0.22 0.85 -0.75 4.18 4.65 2bi8A1 ILE 61 HB 0.17 -0.04 0.07 -0.04 1.89 2.05 2bi8A1 ILE 61 HG12 0.20 0.00 -0.15 -0.04 1.49 1.50 2bi8A1 ILE 61 HG13 0.50 0.01 -0.09 -0.04 1.21 1.59 2bi8A1 ILE 61 HG23 0.49 0.02 -0.13 -0.04 0.93 1.28 2bi8A1 ILE 61 HD13 0.17 0.02 -0.28 -0.04 0.88 0.75 2bi8A1 PHE 62 H 0.36 0.43 0.26 -0.55 8.34 8.83 2bi8A1 PHE 62 HA -0.23 -0.02 0.77 -0.75 4.62 4.39 2bi8A1 PHE 62 HB2 0.29 0.00 0.04 -0.04 3.15 3.44 2bi8A1 PHE 62 HB3 0.24 0.11 0.04 -0.04 3.06 3.41 2bi8A1 PHE 62 HD2 0.22 0.01 -0.22 -0.04 7.28 7.25 2bi8A1 PHE 62 HE2 0.03 -0.03 -0.24 -0.04 7.38 7.10 2bi8A1 PHE 62 HZ -0.02 -0.00 -0.18 -0.04 7.32 7.08 2bi8A1 HIS 63 H -1.16 0.14 0.25 -0.55 8.41 7.09 2bi8A1 HIS 63 HA -0.08 0.43 0.94 -0.75 4.63 5.17 2bi8A1 HIS 63 HB2 -0.67 -0.07 -0.05 -0.04 3.26 2.43 2bi8A1 HIS 63 HB3 -0.23 0.13 -0.07 -0.04 3.20 2.98 2bi8A1 HIS 63 HD2 -0.93 0.01 -0.23 -0.04 6.97 5.77 2bi8A1 HIS 63 HE1 -0.30 -0.05 0.06 -0.04 7.75 7.41 2bi8A1 THR 64 H 0.06 0.83 0.31 -0.55 8.28 8.94 2bi8A1 THR 64 HA 0.03 0.08 0.60 -0.75 4.39 4.34 2bi8A1 THR 64 HB -0.12 0.04 -0.10 -0.04 4.32 4.09 2bi8A1 THR 64 HG23 0.41 0.03 -0.16 -0.04 1.22 1.46 2bi8A1 ASP 65 H 0.20 0.20 0.16 -0.55 8.40 8.41 2bi8A1 ASP 65 HA 0.16 0.14 0.91 -0.75 4.63 5.08 2bi8A1 ASP 65 HB2 0.11 0.02 0.10 -0.04 2.71 2.90 2bi8A1 ASP 65 HB3 0.07 0.09 0.16 -0.04 2.70 2.98 2bi8A1 ASN 66 H 0.18 -0.01 -0.01 -0.55 8.53 8.14 2bi8A1 ASN 66 HA 0.14 0.21 0.77 -0.75 4.76 5.12 2bi8A1 ASN 66 HB2 0.09 0.08 0.08 -0.04 2.88 3.09 2bi8A1 ASN 66 HB3 0.11 -0.04 0.16 -0.04 2.79 2.97 2bi8A1 ASN 66 HD21 0.04 0.10 0.00 -0.04 7.03 7.13 2bi8A1 ASN 66 HD22 0.05 0.04 0.01 -0.04 7.74 7.81 2bi8A1 GLU 67 H 0.16 0.30 0.16 -0.55 8.60 8.68 2bi8A1 GLU 67 HA -0.21 0.10 0.29 -0.75 4.29 3.71 2bi8A1 GLU 67 HB2 0.26 0.09 0.06 -0.04 2.09 2.46 2bi8A1 GLU 67 HB3 0.12 0.01 0.11 -0.04 1.99 2.18 2bi8A1 GLU 67 HG2 0.07 0.03 -0.16 -0.04 2.34 2.24 2bi8A1 GLU 67 HG3 -0.03 -0.05 0.02 -0.04 2.34 2.24 2bi8A1 THR 68 H 0.08 0.10 -0.09 -0.55 8.28 7.82 2bi8A1 THR 68 HA 0.06 0.15 0.43 -0.75 4.39 4.28 2bi8A1 THR 68 HB 0.05 -0.07 0.02 -0.04 4.32 4.29 2bi8A1 THR 68 HG23 0.05 0.04 -0.10 -0.04 1.22 1.17 2bi8A1 VAL 69 H 0.10 0.04 -0.36 -0.55 8.24 7.47 2bi8A1 VAL 69 HA 0.09 0.12 0.35 -0.75 4.13 3.93 2bi8A1 VAL 69 HB 0.15 0.03 0.08 -0.04 2.12 2.34 2bi8A1 VAL 69 HG13 0.22 -0.01 -0.10 -0.04 0.97 1.04 2bi8A1 VAL 69 HG23 0.02 0.02 -0.02 -0.04 0.95 0.93 2bi8A1 TRP 70 H 0.24 0.45 -0.16 -0.55 7.97 7.96 2bi8A1 TRP 70 HA 0.03 -0.02 0.37 -0.75 4.62 4.24 2bi8A1 TRP 70 HB2 -0.32 -0.05 -0.02 -0.04 3.23 2.80 2bi8A1 TRP 70 HB3 -0.56 0.12 0.09 -0.04 3.23 2.84 2bi8A1 TRP 70 HD1 -0.54 0.03 -0.15 -0.04 7.22 6.53 2bi8A1 TRP 70 HE1 0.02 0.05 -0.09 -0.04 10.20 10.13 2bi8A1 TRP 70 HE3 0.28 -0.07 -0.17 -0.04 7.59 7.59 2bi8A1 TRP 70 HZ2 0.12 0.09 -0.13 -0.04 7.44 7.48 2bi8A1 TRP 70 HZ3 0.30 -0.03 -0.32 -0.04 7.13 7.03 2bi8A1 TRP 70 HH2 0.14 0.08 -0.36 -0.04 7.19 7.01 2bi8A1 ASN 71 H 0.05 0.64 -0.15 -0.55 8.53 8.53 2bi8A1 ASN 71 HA -0.22 0.04 0.41 -0.75 4.76 4.24 2bi8A1 ASN 71 HB2 0.02 0.06 0.13 -0.04 2.88 3.05 2bi8A1 ASN 71 HB3 -0.03 0.01 -0.01 -0.04 2.79 2.72 2bi8A1 ASN 71 HD21 0.05 -0.04 -0.07 -0.04 7.03 6.93 2bi8A1 ASN 71 HD22 0.03 -0.02 -0.06 -0.04 7.74 7.66 2bi8A1 TYR 72 H 0.12 0.41 -0.28 -0.55 8.29 7.99 2bi8A1 TYR 72 HA -0.04 0.06 0.35 -0.75 4.56 4.18 2bi8A1 TYR 72 HB2 0.01 0.07 0.09 -0.04 3.06 3.20 2bi8A1 TYR 72 HB3 0.01 0.06 0.12 -0.04 2.98 3.13 2bi8A1 TYR 72 HD2 0.04 -0.01 -0.17 -0.04 7.15 6.97 2bi8A1 TYR 72 HE2 0.03 0.00 -0.08 -0.04 6.85 6.76 2bi8A1 VAL 73 H -0.01 0.48 -0.11 -0.55 8.24 8.05 2bi8A1 VAL 73 HA -0.03 0.05 0.44 -0.75 4.13 3.84 2bi8A1 VAL 73 HB -0.40 -0.06 -0.06 -0.04 2.12 1.56 2bi8A1 VAL 73 HG13 -0.28 0.00 -0.06 -0.04 0.97 0.59 2bi8A1 VAL 73 HG23 -0.57 0.02 -0.05 -0.04 0.95 0.30 2bi8A1 ASN 74 H -0.45 0.46 -0.25 -0.55 8.53 7.73 2bi8A1 ASN 74 HA -0.39 0.10 0.51 -0.75 4.76 4.22 2bi8A1 ASN 74 HB2 -0.44 0.10 0.11 -0.04 2.88 2.60 2bi8A1 ASN 74 HB3 -0.33 -0.01 0.08 -0.04 2.79 2.49 2bi8A1 ASN 74 HD21 -2.91 -0.14 -0.09 -0.04 7.03 3.85 2bi8A1 ASN 74 HD22 -1.32 0.71 0.08 -0.04 7.74 7.17 2bi8A1 LYS 75 H -0.30 0.35 -0.35 -0.55 8.42 7.56 2bi8A1 LYS 75 HA -0.30 0.03 0.55 -0.75 4.32 3.84 2bi8A1 LYS 75 HB2 -0.50 0.21 0.16 -0.04 1.87 1.70 2bi8A1 LYS 75 HB3 -0.78 -0.02 -0.04 -0.04 1.79 0.91 2bi8A1 LYS 75 HG2 -0.25 -0.03 0.04 -0.04 1.46 1.17 2bi8A1 LYS 75 HG3 -0.22 0.00 0.00 -0.04 1.46 1.21 2bi8A1 LYS 75 HD2 -0.13 -0.06 -0.05 -0.04 1.69 1.40 2bi8A1 LYS 75 HD3 -0.26 -0.01 -0.02 -0.04 1.68 1.35 2bi8A1 LYS 75 HE2 -0.16 -0.01 -0.03 -0.04 2.99 2.75 2bi8A1 LYS 75 HE3 -0.30 0.04 -0.02 -0.04 2.99 2.66 2bi8A1 HIS 76 H -0.23 0.29 -0.38 -0.55 8.41 7.54 2bi8A1 HIS 76 HA -0.14 0.20 0.76 -0.75 4.63 4.70 2bi8A1 HIS 76 HB2 -0.14 -0.04 0.05 -0.04 3.26 3.10 2bi8A1 HIS 76 HB3 -0.09 0.04 0.18 -0.04 3.20 3.28 2bi8A1 HIS 76 HD2 -0.74 0.16 -0.04 -0.04 6.97 6.30 2bi8A1 HIS 76 HE1 -0.11 0.09 -0.13 -0.04 7.75 7.56 2bi8A1 ALA 77 H -0.18 0.39 -0.13 -0.55 8.40 7.93 2bi8A1 ALA 77 HA -0.11 0.05 0.45 -0.75 4.34 3.98 2bi8A1 ALA 77 HB3 -0.15 -0.02 -0.13 -0.04 1.41 1.07 2bi8A1 GLU 78 H -0.15 0.07 0.11 -0.55 8.60 8.09 2bi8A1 GLU 78 HA -0.18 0.24 0.92 -0.75 4.29 4.51 2bi8A1 GLU 78 HB2 -0.14 0.07 0.09 -0.04 2.09 2.07 2bi8A1 GLU 78 HB3 -0.18 -0.13 0.21 -0.04 1.99 1.85 2bi8A1 GLU 78 HG2 -0.22 0.00 -0.22 -0.04 2.34 1.86 2bi8A1 GLU 78 HG3 -0.15 0.07 0.03 -0.04 2.34 2.24 2bi8A1 MET 79 H -0.24 0.26 0.05 -0.55 8.47 8.00 2bi8A1 MET 79 HA -0.18 0.07 0.54 -0.75 4.52 4.19 2bi8A1 MET 79 HB2 -0.36 0.04 0.03 -0.04 2.15 1.81 2bi8A1 MET 79 HB3 -0.12 -0.02 -0.17 -0.04 2.03 1.68 2bi8A1 MET 79 HG2 -0.46 0.14 -0.31 -0.04 2.63 1.96 2bi8A1 MET 79 HG3 -0.93 -0.01 -0.23 -0.04 2.56 1.35 2bi8A1 MET 79 HE3 -0.04 -0.01 -0.35 -0.04 2.10 1.66 2bi8A1 MET 80 H -0.13 0.73 0.35 -0.55 8.47 8.87 2bi8A1 MET 80 HA -0.16 0.16 0.69 -0.75 4.52 4.46 2bi8A1 MET 80 HB2 -0.49 0.01 0.12 -0.04 2.15 1.75 2bi8A1 MET 80 HB3 -0.51 0.07 0.04 -0.04 2.03 1.58 2bi8A1 MET 80 HG2 -0.74 0.02 0.03 -0.04 2.63 1.90 2bi8A1 MET 80 HG3 -2.58 -0.01 0.00 -0.04 2.56 -0.07 2bi8A1 MET 80 HE3 -0.57 0.00 0.02 -0.04 2.10 1.51 2bi8A1 PRO 81 HA 0.24 0.12 0.63 -0.51 4.44 4.92 2bi8A1 PRO 81 HB2 0.15 0.00 0.10 -0.04 2.28 2.49 2bi8A1 PRO 81 HB3 0.14 0.02 0.10 -0.04 2.02 2.24 2bi8A1 PRO 81 HG2 0.09 0.02 0.11 -0.04 2.03 2.21 2bi8A1 PRO 81 HG3 0.12 0.04 0.11 -0.04 2.03 2.26 2bi8A1 PRO 81 HD2 0.02 0.07 0.24 -0.04 3.68 3.98 2bi8A1 PRO 81 HD3 0.03 0.23 0.28 -0.04 3.65 4.14 2bi8A1 TYR 82 H 0.32 0.40 0.16 -0.55 8.29 8.62 2bi8A1 TYR 82 HA 0.26 0.09 0.56 -0.75 4.56 4.72 2bi8A1 TYR 82 HB2 0.42 0.12 -0.18 -0.04 3.06 3.38 2bi8A1 TYR 82 HB3 0.34 -0.08 -0.14 -0.04 2.98 3.06 2bi8A1 TYR 82 HD2 0.34 -0.00 -0.14 -0.04 7.15 7.31 2bi8A1 TYR 82 HE2 0.33 0.05 -0.02 -0.04 6.85 7.16 2bi8A1 VAL 83 H -0.28 0.25 0.06 -0.55 8.24 7.72 2bi8A1 VAL 83 HA 0.08 0.14 0.93 -0.75 4.13 4.53 2bi8A1 VAL 83 HB -0.04 0.00 0.11 -0.04 2.12 2.15 2bi8A1 VAL 83 HG13 0.05 0.01 -0.08 -0.04 0.97 0.91 2bi8A1 VAL 83 HG23 0.06 0.01 -0.11 -0.04 0.95 0.87 2bi8A1 ASN 84 H 0.25 0.12 0.09 -0.55 8.53 8.44 2bi8A1 ASN 84 HA 0.05 0.09 0.42 -0.75 4.76 4.57 2bi8A1 ASN 84 HB2 0.69 0.02 0.03 -0.04 2.88 3.58 2bi8A1 ASN 84 HB3 0.52 -0.07 0.10 -0.04 2.79 3.30 2bi8A1 ASN 84 HD21 0.31 0.01 -0.08 -0.04 7.03 7.22 2bi8A1 ASN 84 HD22 0.57 0.01 0.02 -0.04 7.74 8.30 2bi8A1 ARG 85 H 0.05 0.20 0.26 -0.55 8.46 8.43 2bi8A1 ARG 85 HA 0.05 0.23 0.92 -0.75 4.34 4.78 2bi8A1 ARG 85 HB2 -0.01 -0.04 0.14 -0.04 1.90 1.94 2bi8A1 ARG 85 HB3 -0.01 0.05 0.05 -0.04 1.80 1.85 2bi8A1 ARG 85 HG2 0.01 0.23 -0.17 -0.04 1.67 1.69 2bi8A1 ARG 85 HG3 -0.00 -0.03 -0.58 -0.04 1.67 1.01 2bi8A1 ARG 85 HD2 -0.01 0.00 -0.02 -0.04 3.22 3.14 2bi8A1 ARG 85 HD3 0.00 -0.04 -0.09 -0.04 3.22 3.05 2bi8A1 VAL 86 H 0.05 0.40 0.23 -0.55 8.24 8.37 2bi8A1 VAL 86 HA -0.05 0.20 1.01 -0.75 4.13 4.54 2bi8A1 VAL 86 HB 0.02 0.03 0.04 -0.04 2.12 2.17 2bi8A1 VAL 86 HG13 -0.10 -0.00 -0.18 -0.04 0.97 0.65 2bi8A1 VAL 86 HG23 -0.36 -0.03 -0.18 -0.04 0.95 0.34 2bi8A1 LYS 87 H -0.07 0.38 0.36 -0.55 8.42 8.53 2bi8A1 LYS 87 HA -0.03 0.30 1.09 -0.75 4.32 4.92 2bi8A1 LYS 87 HB2 -0.10 -0.04 0.11 -0.04 1.87 1.80 2bi8A1 LYS 87 HB3 -0.08 0.02 0.10 -0.04 1.79 1.79 2bi8A1 LYS 87 HG2 -0.08 -0.05 -0.10 -0.04 1.46 1.19 2bi8A1 LYS 87 HG3 -0.09 0.02 -0.05 -0.04 1.46 1.29 2bi8A1 LYS 87 HD2 -0.09 -0.02 -0.14 -0.04 1.69 1.41 2bi8A1 LYS 87 HD3 -0.06 0.13 -0.06 -0.04 1.68 1.64 2bi8A1 LYS 87 HE2 -0.04 0.04 -0.17 -0.04 2.99 2.78 2bi8A1 LYS 87 HE3 -0.06 -0.02 -0.22 -0.04 2.99 2.65 2bi8A1 ALA 88 H 0.03 0.63 0.31 -0.55 8.40 8.82 2bi8A1 ALA 88 HA -0.12 0.20 0.88 -0.75 4.34 4.54 2bi8A1 ALA 88 HB3 0.07 -0.00 -0.08 -0.04 1.41 1.37 2bi8A1 THR 89 H -0.30 0.85 0.39 -0.55 8.28 8.68 2bi8A1 THR 89 HA -0.06 0.37 1.12 -0.75 4.39 5.07 2bi8A1 THR 89 HB -0.48 -0.02 0.18 -0.04 4.32 3.95 2bi8A1 THR 89 HG23 0.08 -0.01 -0.09 -0.04 1.22 1.15 2bi8A1 VAL 90 H 0.04 0.73 0.31 -0.55 8.24 8.77 2bi8A1 VAL 90 HA 0.02 -0.05 0.53 -0.75 4.13 3.88 2bi8A1 VAL 90 HB -0.03 0.05 -0.16 -0.04 2.12 1.94 2bi8A1 VAL 90 HG13 -0.21 0.03 -0.25 -0.04 0.97 0.50 2bi8A1 VAL 90 HG23 -0.10 0.07 0.10 -0.04 0.95 0.99 2bi8A1 ASN 91 H -0.01 0.12 0.16 -0.55 8.53 8.25 2bi8A1 ASN 91 HA -0.02 0.02 0.33 -0.75 4.76 4.33 2bi8A1 ASN 91 HB2 0.04 0.20 -0.02 -0.04 2.88 3.06 2bi8A1 ASN 91 HB3 -0.06 0.05 0.20 -0.04 2.79 2.94 2bi8A1 ASN 91 HD21 0.01 -0.02 -0.01 -0.04 7.03 6.96 2bi8A1 ASN 91 HD22 -0.10 0.08 -0.04 -0.04 7.74 7.64 2bi8A1 GLY 92 H -0.00 -0.01 -0.17 -0.55 8.43 7.70 2bi8A1 GLY 92 HA2 -0.02 -0.01 0.23 -0.51 4.01 3.70 2bi8A1 GLY 92 HA3 -0.03 0.05 0.39 -0.51 4.01 3.91 2bi8A1 GLN 93 H -0.05 0.20 -0.30 -0.55 8.47 7.76 2bi8A1 GLN 93 HA -0.20 0.12 0.67 -0.75 4.36 4.19 2bi8A1 GLN 93 HB2 -0.23 0.10 -0.04 -0.04 2.15 1.94 2bi8A1 GLN 93 HB3 -0.78 -0.02 0.00 -0.04 2.02 1.18 2bi8A1 GLN 93 HG2 -0.16 0.06 0.03 -0.04 2.40 2.28 2bi8A1 GLN 93 HG3 -0.11 0.16 -0.22 -0.04 2.39 2.18 2bi8A1 GLN 93 HE21 -0.09 0.11 0.03 -0.04 6.97 6.97 2bi8A1 GLN 93 HE22 -0.10 -0.01 0.01 -0.04 7.69 7.55 2bi8A1 VAL 94 H -0.38 0.22 0.16 -0.55 8.24 7.69 2bi8A1 VAL 94 HA -0.16 0.29 1.06 -0.75 4.13 4.57 2bi8A1 VAL 94 HB -0.17 -0.01 0.10 -0.04 2.12 1.99 2bi8A1 VAL 94 HG13 -0.11 0.00 -0.12 -0.04 0.97 0.70 2bi8A1 VAL 94 HG23 -0.11 -0.01 -0.14 -0.04 0.95 0.65 2bi8A1 PHE 95 H 0.09 0.66 0.37 -0.55 8.34 8.90 2bi8A1 PHE 95 HA -0.04 0.16 0.95 -0.75 4.62 4.94 2bi8A1 PHE 95 HB2 0.18 -0.01 -0.04 -0.04 3.15 3.24 2bi8A1 PHE 95 HB3 0.04 0.04 0.04 -0.04 3.06 3.13 2bi8A1 PHE 95 HD2 0.15 -0.00 -0.06 -0.04 7.28 7.33 2bi8A1 PHE 95 HE2 0.07 0.06 -0.17 -0.04 7.38 7.30 2bi8A1 PHE 95 HZ -0.10 0.06 -0.07 -0.04 7.32 7.16 2bi8A1 SER 96 H 0.04 0.06 0.14 -0.55 8.46 8.16 2bi8A1 SER 96 HA -0.03 0.20 0.88 -0.75 4.49 4.79 2bi8A1 SER 96 HB2 -0.04 -0.15 0.05 -0.04 3.95 3.78 2bi8A1 SER 96 HB3 -0.04 0.16 0.06 -0.04 3.93 4.08 2bi8A1 LEU 97 H -0.02 0.71 0.35 -0.55 8.37 8.86 2bi8A1 LEU 97 HA -0.18 0.05 0.53 -0.75 4.35 4.00 2bi8A1 LEU 97 HB2 0.04 0.01 -0.07 -0.04 1.64 1.59 2bi8A1 LEU 97 HB3 0.06 -0.02 -0.03 -0.04 1.64 1.61 2bi8A1 LEU 97 HG -0.04 -0.03 -0.37 -0.04 1.64 1.16 2bi8A1 LEU 97 HD13 -0.11 -0.00 -0.13 -0.04 0.93 0.65 2bi8A1 LEU 97 HD23 -0.28 0.03 -0.08 -0.04 0.89 0.52 2bi8A1 PRO 98 HA -0.25 0.03 0.30 -0.51 4.44 4.00 2bi8A1 PRO 98 HB2 -0.29 0.07 -0.08 -0.04 2.28 1.94 2bi8A1 PRO 98 HB3 -0.46 0.01 0.06 -0.04 2.02 1.60 2bi8A1 PRO 98 HG2 -0.27 0.02 -0.13 -0.04 2.03 1.61 2bi8A1 PRO 98 HG3 -0.44 0.08 0.01 -0.04 2.03 1.65 2bi8A1 PRO 98 HD2 -0.22 0.22 0.31 -0.04 3.68 3.94 2bi8A1 PRO 98 HD3 -0.72 0.02 0.10 -0.04 3.65 3.00 2bi8A1 ILE 99 H -0.31 0.16 0.09 -0.55 8.25 7.64 2bi8A1 ILE 99 HA -0.38 0.05 0.49 -0.75 4.18 3.59 2bi8A1 ILE 99 HB -0.27 0.24 0.28 -0.04 1.89 2.10 2bi8A1 ILE 99 HG12 -0.99 -0.01 0.03 -0.04 1.49 0.48 2bi8A1 ILE 99 HG13 -0.60 -0.08 0.10 -0.04 1.21 0.59 2bi8A1 ILE 99 HG23 -0.30 -0.03 -0.10 -0.04 0.93 0.46 2bi8A1 ILE 99 HD13 -0.20 0.02 0.02 -0.04 0.88 0.68 2bi8A1 ASN 100 H -0.19 0.05 0.29 -0.55 8.53 8.14 2bi8A1 ASN 100 HA -0.27 0.30 0.93 -0.75 4.76 4.97 2bi8A1 ASN 100 HB2 -0.16 0.18 0.30 -0.04 2.88 3.16 2bi8A1 ASN 100 HB3 -0.16 0.16 -0.13 -0.04 2.79 2.62 2bi8A1 ASN 100 HD21 0.06 -0.07 -0.16 -0.04 7.03 6.81 2bi8A1 ASN 100 HD22 -0.03 0.41 -0.31 -0.04 7.74 7.77 2bi8A1 LEU 101 H -0.26 0.58 0.27 -0.55 8.37 8.42 2bi8A1 LEU 101 HA -0.15 0.04 0.30 -0.75 4.35 3.79 2bi8A1 LEU 101 HB2 -0.39 -0.01 -0.10 -0.04 1.64 1.10 2bi8A1 LEU 101 HB3 -1.25 -0.03 -0.20 -0.04 1.64 0.11 2bi8A1 LEU 101 HG -0.46 0.05 -0.20 -0.04 1.64 0.99 2bi8A1 LEU 101 HD13 -0.02 0.03 -0.13 -0.04 0.93 0.77 2bi8A1 LEU 101 HD23 -0.24 0.00 -0.19 -0.04 0.89 0.42 2bi8A1 HIS 102 H 0.00 0.16 -0.15 -0.55 8.41 7.88 2bi8A1 HIS 102 HA 0.26 0.11 0.50 -0.75 4.63 4.74 2bi8A1 HIS 102 HB2 0.38 0.01 0.08 -0.04 3.26 3.70 2bi8A1 HIS 102 HB3 0.13 0.00 0.04 -0.04 3.20 3.33 2bi8A1 HIS 102 HD2 0.10 0.01 0.00 -0.04 6.97 7.04 2bi8A1 HIS 102 HE1 0.05 0.05 -0.00 -0.04 7.75 7.80 2bi8A1 THR 103 H 0.08 0.09 -0.15 -0.55 8.28 7.75 2bi8A1 THR 103 HA 0.27 0.02 0.44 -0.75 4.39 4.37 2bi8A1 THR 103 HB -0.18 0.07 0.14 -0.04 4.32 4.31 2bi8A1 THR 103 HG23 -0.45 -0.01 0.00 -0.04 1.22 0.72 2bi8A1 ILE 104 H 0.03 0.51 -0.22 -0.55 8.25 8.03 2bi8A1 ILE 104 HA 0.21 0.04 0.39 -0.75 4.18 4.06 2bi8A1 ILE 104 HB 0.06 0.06 0.09 -0.04 1.89 2.06 2bi8A1 ILE 104 HG12 0.08 0.01 -0.08 -0.04 1.49 1.46 2bi8A1 ILE 104 HG13 -0.06 -0.03 -0.08 -0.04 1.21 0.99 2bi8A1 ILE 104 HG23 0.22 -0.01 -0.19 -0.04 0.93 0.91 2bi8A1 ILE 104 HD13 -0.14 -0.01 -0.26 -0.04 0.88 0.43 2bi8A1 ASN 105 H 0.15 0.73 0.04 -0.55 8.53 8.90 2bi8A1 ASN 105 HA 0.20 -0.14 0.21 -0.75 4.76 4.27 2bi8A1 ASN 105 HB2 0.15 0.07 0.12 -0.04 2.88 3.18 2bi8A1 ASN 105 HB3 0.12 0.18 -0.06 -0.04 2.79 2.98 2bi8A1 ASN 105 HD21 0.11 0.55 -0.12 -0.04 7.03 7.53 2bi8A1 ASN 105 HD22 0.21 -0.06 -0.15 -0.04 7.74 7.70 2bi8A1 GLN 106 H 0.31 0.56 -0.38 -0.55 8.47 8.41 2bi8A1 GLN 106 HA 0.20 0.04 0.50 -0.75 4.36 4.35 2bi8A1 GLN 106 HB2 0.42 -0.04 0.09 -0.04 2.15 2.59 2bi8A1 GLN 106 HB3 0.50 0.05 0.14 -0.04 2.02 2.66 2bi8A1 GLN 106 HG2 0.15 0.02 -0.20 -0.04 2.40 2.32 2bi8A1 GLN 106 HG3 0.08 -0.04 0.05 -0.04 2.39 2.45 2bi8A1 GLN 106 HE21 -0.40 0.42 0.18 -0.04 6.97 7.13 2bi8A1 GLN 106 HE22 -0.33 -0.07 0.03 -0.04 7.69 7.28 2bi8A1 PHE 107 H 0.41 0.66 0.03 -0.55 8.34 8.88 2bi8A1 PHE 107 HA 0.22 -0.00 0.39 -0.75 4.62 4.48 2bi8A1 PHE 107 HB2 -0.18 0.16 0.18 -0.04 3.15 3.26 2bi8A1 PHE 107 HB3 -0.38 -0.01 0.15 -0.04 3.06 2.78 2bi8A1 PHE 107 HD2 -1.44 0.03 -0.15 -0.04 7.28 5.67 2bi8A1 PHE 107 HE2 -0.45 -0.05 -0.09 -0.04 7.38 6.75 2bi8A1 PHE 107 HZ -0.19 -0.02 -0.11 -0.04 7.32 6.95 2bi8A1 PHE 108 H 0.34 0.54 -0.20 -0.55 8.34 8.47 2bi8A1 PHE 108 HA 0.12 0.13 0.53 -0.75 4.62 4.64 2bi8A1 PHE 108 HB2 0.15 0.01 -0.03 -0.04 3.15 3.24 2bi8A1 PHE 108 HB3 0.12 -0.02 0.08 -0.04 3.06 3.19 2bi8A1 PHE 108 HD2 0.18 0.05 -0.03 -0.04 7.28 7.43 2bi8A1 PHE 108 HE2 0.10 -0.03 -0.05 -0.04 7.38 7.36 2bi8A1 PHE 108 HZ 0.03 -0.05 -0.05 -0.04 7.32 7.21 2bi8A1 SER 109 H 0.12 0.39 -0.58 -0.55 8.46 7.85 2bi8A1 SER 109 HA 0.10 0.07 0.39 -0.75 4.49 4.29 2bi8A1 SER 109 HB2 0.07 0.03 0.03 -0.04 3.95 4.04 2bi8A1 SER 109 HB3 0.05 -0.08 0.19 -0.04 3.93 4.06 2bi8A1 LYS 110 H 0.16 0.77 0.09 -0.55 8.42 8.89 2bi8A1 LYS 110 HA 0.09 0.19 0.83 -0.75 4.32 4.67 2bi8A1 LYS 110 HB2 0.20 0.04 -0.16 -0.04 1.87 1.92 2bi8A1 LYS 110 HB3 0.11 -0.31 0.05 -0.04 1.79 1.60 2bi8A1 LYS 110 HG2 0.09 0.23 -0.05 -0.04 1.46 1.70 2bi8A1 LYS 110 HG3 0.08 0.01 -0.06 -0.04 1.46 1.44 2bi8A1 LYS 110 HD2 0.03 0.04 -0.00 -0.04 1.69 1.71 2bi8A1 LYS 110 HD3 0.05 -0.17 0.02 -0.04 1.68 1.53 2bi8A1 LYS 110 HE2 0.06 0.17 0.12 -0.04 2.99 3.30 2bi8A1 LYS 110 HE3 0.04 0.05 0.02 -0.04 2.99 3.06 2bi8A1 THR 111 H 0.07 0.08 0.10 -0.55 8.28 7.98 2bi8A1 THR 111 HA 0.07 0.19 0.69 -0.75 4.39 4.58 2bi8A1 THR 111 HB 0.04 0.06 -0.28 -0.04 4.32 4.10 2bi8A1 THR 111 HG23 0.03 -0.02 -0.03 -0.04 1.22 1.16 2bi8A1 CYS 112 H 0.08 0.08 -0.00 -0.55 8.50 8.11 2bi8A1 CYS 112 HA 0.04 -0.03 0.32 -0.75 4.58 4.16 2bi8A1 CYS 112 HB2 0.06 0.01 -0.01 -0.04 2.97 3.00 2bi8A1 CYS 112 HB3 0.04 -0.01 -0.09 -0.04 2.97 2.87 2bi8A1 SER 113 H 0.03 0.05 0.20 -0.55 8.46 8.19 2bi8A1 SER 113 HA 0.07 0.21 0.66 -0.75 4.49 4.67 2bi8A1 SER 113 HB2 0.03 0.06 0.20 -0.04 3.95 4.20 2bi8A1 SER 113 HB3 0.03 0.11 0.18 -0.04 3.93 4.21 2bi8A1 PRO 114 HA 0.07 0.10 0.45 -0.51 4.44 4.54 2bi8A1 PRO 114 HB2 -0.01 -0.04 0.13 -0.04 2.28 2.32 2bi8A1 PRO 114 HB3 0.05 0.41 0.23 -0.04 2.02 2.66 2bi8A1 PRO 114 HG2 0.02 0.05 0.16 -0.04 2.03 2.22 2bi8A1 PRO 114 HG3 0.01 0.06 0.14 -0.04 2.03 2.20 2bi8A1 PRO 114 HD2 0.02 0.07 0.24 -0.04 3.68 3.97 2bi8A1 PRO 114 HD3 0.06 0.16 0.24 -0.04 3.65 4.07 2bi8A1 ASP 115 H -0.03 0.17 -0.04 -0.55 8.40 7.95 2bi8A1 ASP 115 HA -0.16 0.12 0.41 -0.75 4.63 4.26 2bi8A1 ASP 115 HB2 -0.04 -0.03 0.05 -0.04 2.71 2.65 2bi8A1 ASP 115 HB3 -0.07 0.07 -0.01 -0.04 2.70 2.65 2bi8A1 GLU 116 H -0.02 0.04 -0.33 -0.55 8.60 7.75 2bi8A1 GLU 116 HA -0.03 0.13 0.57 -0.75 4.29 4.20 2bi8A1 GLU 116 HB2 0.01 0.01 0.11 -0.04 2.09 2.18 2bi8A1 GLU 116 HB3 -0.00 0.05 0.04 -0.04 1.99 2.04 2bi8A1 GLU 116 HG2 -0.01 0.08 0.03 -0.04 2.34 2.41 2bi8A1 GLU 116 HG3 -0.01 -0.07 0.02 -0.04 2.34 2.24 2bi8A1 ALA 117 H 0.02 0.39 -0.31 -0.55 8.40 7.95 2bi8A1 ALA 117 HA 0.07 0.04 0.41 -0.75 4.34 4.10 2bi8A1 ALA 117 HB3 0.21 0.05 0.02 -0.04 1.41 1.65 2bi8A1 ARG 118 H -0.22 0.40 -0.16 -0.55 8.46 7.93 2bi8A1 ARG 118 HA -0.51 0.06 0.44 -0.75 4.34 3.58 2bi8A1 ARG 118 HB2 -0.36 0.10 0.13 -0.04 1.90 1.74 2bi8A1 ARG 118 HB3 -0.38 0.01 -0.04 -0.04 1.80 1.35 2bi8A1 ARG 118 HG2 -1.58 0.01 0.01 -0.04 1.67 0.07 2bi8A1 ARG 118 HG3 -1.64 0.04 0.02 -0.04 1.67 0.05 2bi8A1 ARG 118 HD2 -0.34 -0.04 0.00 -0.04 3.22 2.81 2bi8A1 ARG 118 HD3 -0.37 0.02 -0.00 -0.04 3.22 2.82 2bi8A1 ALA 119 H -0.10 0.27 -0.39 -0.55 8.40 7.64 2bi8A1 ALA 119 HA -0.06 0.08 0.52 -0.75 4.34 4.12 2bi8A1 ALA 119 HB3 -0.05 0.04 0.10 -0.04 1.41 1.46 2bi8A1 LEU 120 H -0.03 0.33 -0.19 -0.55 8.37 7.93 2bi8A1 LEU 120 HA -0.08 0.06 0.37 -0.75 4.35 3.94 2bi8A1 LEU 120 HB2 -0.05 0.02 0.10 -0.04 1.64 1.66 2bi8A1 LEU 120 HB3 -0.02 0.09 0.13 -0.04 1.64 1.79 2bi8A1 LEU 120 HG -0.26 0.01 -0.02 -0.04 1.64 1.33 2bi8A1 LEU 120 HD13 -0.17 -0.02 -0.06 -0.04 0.93 0.65 2bi8A1 LEU 120 HD23 -0.48 0.00 -0.26 -0.04 0.89 0.10 2bi8A1 ILE 121 H 0.06 0.54 -0.12 -0.55 8.25 8.18 2bi8A1 ILE 121 HA 0.03 0.05 0.41 -0.75 4.18 3.91 2bi8A1 ILE 121 HB 0.24 0.03 0.08 -0.04 1.89 2.19 2bi8A1 ILE 121 HG12 0.21 0.15 0.01 -0.04 1.49 1.81 2bi8A1 ILE 121 HG13 0.14 -0.07 -0.10 -0.04 1.21 1.14 2bi8A1 ILE 121 HG23 0.12 -0.00 -0.10 -0.04 0.93 0.91 2bi8A1 ILE 121 HD13 0.06 -0.01 -0.08 -0.04 0.88 0.81 2bi8A1 ALA 122 H 0.00 0.28 -0.41 -0.55 8.40 7.72 2bi8A1 ALA 122 HA 0.02 0.11 0.57 -0.75 4.34 4.29 2bi8A1 ALA 122 HB3 -0.02 0.01 0.14 -0.04 1.41 1.49 2bi8A1 GLU 123 H -0.03 0.56 -0.09 -0.55 8.60 8.49 2bi8A1 GLU 123 HA -0.02 0.10 0.57 -0.75 4.29 4.19 2bi8A1 GLU 123 HB2 -0.03 -0.07 0.17 -0.04 2.09 2.11 2bi8A1 GLU 123 HB3 -0.03 -0.03 0.11 -0.04 1.99 2.00 2bi8A1 GLU 123 HG2 -0.06 0.07 0.08 -0.04 2.34 2.39 2bi8A1 GLU 123 HG3 -0.06 0.05 -0.17 -0.04 2.34 2.12 2bi8A1 LYS 124 H -0.01 0.08 -0.84 -0.55 8.42 7.09 2bi8A1 LYS 124 HA -0.01 0.03 0.79 -0.75 4.32 4.38 2bi8A1 LYS 124 HB2 -0.07 0.38 0.06 -0.04 1.87 2.20 2bi8A1 LYS 124 HB3 0.02 0.09 -0.11 -0.04 1.79 1.74 2bi8A1 LYS 124 HG2 0.07 -0.08 -0.00 -0.04 1.46 1.41 2bi8A1 LYS 124 HG3 0.04 -0.13 0.11 -0.04 1.46 1.43 2bi8A1 LYS 124 HD2 -0.18 0.11 -0.10 -0.04 1.69 1.48 2bi8A1 LYS 124 HD3 -0.58 -0.06 -0.08 -0.04 1.68 0.91 2bi8A1 LYS 124 HE2 0.11 -0.11 0.01 -0.04 2.99 2.95 2bi8A1 LYS 124 HE3 -0.03 0.02 0.03 -0.04 2.99 2.96 2bi8A1 GLY 125 H 0.01 0.25 -0.09 -0.55 8.43 8.06 2bi8A1 GLY 125 HA2 0.02 -0.12 0.19 -0.51 4.01 3.59 2bi8A1 GLY 125 HA3 0.02 0.23 0.33 -0.51 4.01 4.09 2bi8A1 ASP 126 H -0.03 0.64 0.37 -0.55 8.40 8.83 2bi8A1 ASP 126 HA -0.02 0.05 0.51 -0.75 4.63 4.42 2bi8A1 ASP 126 HB2 -0.04 -0.03 0.03 -0.04 2.71 2.63 2bi8A1 ASP 126 HB3 -0.07 -0.07 -0.16 -0.04 2.70 2.35 2bi8A1 SER 127 H -0.02 0.22 0.11 -0.55 8.46 8.22 2bi8A1 SER 127 HA -0.04 0.17 0.64 -0.75 4.49 4.51 2bi8A1 SER 127 HB2 -0.02 -0.04 0.14 -0.04 3.95 3.99 2bi8A1 SER 127 HB3 -0.02 0.09 0.04 -0.04 3.93 4.00 2bi8A1 THR 128 H -0.05 0.35 -0.34 -0.55 8.28 7.69 2bi8A1 THR 128 HA -0.03 0.16 0.62 -0.75 4.39 4.38 2bi8A1 THR 128 HB -0.04 -0.07 -0.04 -0.04 4.32 4.12 2bi8A1 THR 128 HG23 -0.03 -0.02 -0.05 -0.04 1.22 1.08 2bi8A1 ILE 129 H -0.06 0.08 0.03 -0.55 8.25 7.74 2bi8A1 ILE 129 HA -0.05 -0.06 0.14 -0.75 4.18 3.46 2bi8A1 ILE 129 HB -0.09 0.06 0.09 -0.04 1.89 1.90 2bi8A1 ILE 129 HG12 -0.06 -0.01 0.06 -0.04 1.49 1.44 2bi8A1 ILE 129 HG13 -0.07 -0.04 0.03 -0.04 1.21 1.09 2bi8A1 ILE 129 HG23 -0.07 -0.03 -0.35 -0.04 0.93 0.44 2bi8A1 ILE 129 HD13 -0.05 0.00 -0.01 -0.04 0.88 0.79 2bi8A1 ALA 130 H -0.04 0.02 0.09 -0.55 8.40 7.92 2bi8A1 ALA 130 HA -0.04 0.13 0.42 -0.75 4.34 4.10 2bi8A1 ALA 130 HB3 -0.03 -0.03 0.11 -0.04 1.41 1.42 2bi8A1 ASP 131 H -0.04 0.03 -0.15 -0.55 8.40 7.69 2bi8A1 ASP 131 HA -0.06 0.30 0.87 -0.75 4.63 4.99 2bi8A1 ASP 131 HB2 -0.03 -0.01 -0.07 -0.04 2.71 2.56 2bi8A1 ASP 131 HB3 -0.03 -0.08 0.11 -0.04 2.70 2.66 2bi8A1 PRO 132 HA -0.08 -0.13 0.43 -0.51 4.44 4.15 2bi8A1 PRO 132 HB2 -0.13 0.04 0.03 -0.04 2.28 2.18 2bi8A1 PRO 132 HB3 -0.15 -0.10 -0.21 -0.04 2.02 1.52 2bi8A1 PRO 132 HG2 -0.22 0.08 0.04 -0.04 2.03 1.89 2bi8A1 PRO 132 HG3 -0.15 0.08 -0.03 -0.04 2.03 1.89 2bi8A1 PRO 132 HD2 -0.10 0.08 0.15 -0.04 3.68 3.77 2bi8A1 PRO 132 HD3 -0.09 0.50 -0.20 -0.04 3.65 3.82 2bi8A1 GLN 133 H -0.05 0.03 0.26 -0.55 8.47 8.16 2bi8A1 GLN 133 HA -0.03 0.20 0.80 -0.75 4.36 4.57 2bi8A1 GLN 133 HB2 -0.03 -0.03 0.06 -0.04 2.15 2.11 2bi8A1 GLN 133 HB3 -0.02 0.00 0.13 -0.04 2.02 2.09 2bi8A1 GLN 133 HG2 -0.04 0.10 0.10 -0.04 2.40 2.53 2bi8A1 GLN 133 HG3 -0.03 -0.03 0.04 -0.04 2.39 2.33 2bi8A1 GLN 133 HE21 -0.03 -0.07 -0.04 -0.04 6.97 6.79 2bi8A1 GLN 133 HE22 -0.03 0.15 0.05 -0.04 7.69 7.82 2bi8A1 THR 134 H -0.05 -0.00 0.11 -0.55 8.28 7.79 2bi8A1 THR 134 HA 0.02 0.42 0.85 -0.75 4.39 4.93 2bi8A1 THR 134 HB -0.06 -0.25 0.11 -0.04 4.32 4.08 2bi8A1 THR 134 HG23 0.01 -0.06 0.15 -0.04 1.22 1.27 2bi8A1 PHE 135 H 0.16 0.72 0.03 -0.55 8.34 8.70 2bi8A1 PHE 135 HA -0.05 0.08 0.49 -0.75 4.62 4.38 2bi8A1 PHE 135 HB2 -0.01 0.19 -0.05 -0.04 3.15 3.24 2bi8A1 PHE 135 HB3 0.02 0.19 0.16 -0.04 3.06 3.39 2bi8A1 PHE 135 HD2 0.05 -0.03 0.03 -0.04 7.28 7.30 2bi8A1 PHE 135 HE2 0.11 0.04 -0.04 -0.04 7.38 7.45 2bi8A1 PHE 135 HZ 0.44 0.05 -0.03 -0.04 7.32 7.73 2bi8A1 GLU 136 H -0.04 0.33 -0.23 -0.55 8.60 8.11 2bi8A1 GLU 136 HA -0.64 0.10 0.40 -0.75 4.29 3.39 2bi8A1 GLU 136 HB2 -0.05 -0.08 -0.17 -0.04 2.09 1.75 2bi8A1 GLU 136 HB3 -0.12 -0.02 -0.03 -0.04 1.99 1.78 2bi8A1 GLU 136 HG2 -0.23 0.02 -0.28 -0.04 2.34 1.81 2bi8A1 GLU 136 HG3 -0.67 0.00 -0.07 -0.04 2.34 1.56 2bi8A1 GLU 137 H -0.16 0.07 -0.28 -0.55 8.60 7.68 2bi8A1 GLU 137 HA -0.25 0.09 0.48 -0.75 4.29 3.86 2bi8A1 GLU 137 HB2 -0.13 0.07 0.07 -0.04 2.09 2.06 2bi8A1 GLU 137 HB3 -0.13 0.02 0.06 -0.04 1.99 1.90 2bi8A1 GLU 137 HG2 -0.09 -0.06 0.13 -0.04 2.34 2.28 2bi8A1 GLU 137 HG3 -0.10 0.02 0.08 -0.04 2.34 2.30 2bi8A1 GLU 138 H -0.15 0.45 -0.18 -0.55 8.60 8.17 2bi8A1 GLU 138 HA -0.33 0.10 0.57 -0.75 4.29 3.88 2bi8A1 GLU 138 HB2 -0.08 -0.01 0.09 -0.04 2.09 2.05 2bi8A1 GLU 138 HB3 0.02 -0.02 0.18 -0.04 1.99 2.13 2bi8A1 GLU 138 HG2 0.09 0.15 0.06 -0.04 2.34 2.61 2bi8A1 GLU 138 HG3 -0.25 -0.07 -0.16 -0.04 2.34 1.82 2bi8A1 ALA 139 H -0.29 0.53 -0.11 -0.55 8.40 7.99 2bi8A1 ALA 139 HA -0.11 0.06 0.46 -0.75 4.34 4.00 2bi8A1 ALA 139 HB3 -0.49 0.03 0.11 -0.04 1.41 1.02 2bi8A1 LEU 140 H -0.40 0.47 -0.13 -0.55 8.37 7.76 2bi8A1 LEU 140 HA -0.13 0.03 0.29 -0.75 4.35 3.79 2bi8A1 LEU 140 HB2 -0.23 0.04 0.13 -0.04 1.64 1.54 2bi8A1 LEU 140 HB3 -0.13 -0.05 -0.01 -0.04 1.64 1.41 2bi8A1 LEU 140 HG -0.66 0.24 0.07 -0.04 1.64 1.25 2bi8A1 LEU 140 HD13 -0.21 -0.05 -0.12 -0.04 0.93 0.52 2bi8A1 LEU 140 HD23 -0.08 -0.00 -0.11 -0.04 0.89 0.66 2bi8A1 ARG 141 H -0.22 0.49 -0.25 -0.55 8.46 7.92 2bi8A1 ARG 141 HA -0.11 0.14 0.57 -0.75 4.34 4.19 2bi8A1 ARG 141 HB2 -0.21 -0.03 0.18 -0.04 1.90 1.80 2bi8A1 ARG 141 HB3 -0.41 0.09 0.23 -0.04 1.80 1.66 2bi8A1 ARG 141 HG2 -0.14 0.00 -0.23 -0.04 1.67 1.26 2bi8A1 ARG 141 HG3 -0.15 0.02 0.01 -0.04 1.67 1.51 2bi8A1 ARG 141 HD2 -0.70 0.01 0.03 -0.04 3.22 2.52 2bi8A1 ARG 141 HD3 -0.33 -0.04 -0.08 -0.04 3.22 2.73 2bi8A1 PHE 142 H -0.20 0.51 -0.08 -0.55 8.34 8.01 2bi8A1 PHE 142 HA -0.03 0.01 0.38 -0.75 4.62 4.23 2bi8A1 PHE 142 HB2 -0.11 0.06 0.25 -0.04 3.15 3.30 2bi8A1 PHE 142 HB3 -0.06 -0.09 0.02 -0.04 3.06 2.89 2bi8A1 PHE 142 HD2 -0.05 -0.03 -0.09 -0.04 7.28 7.07 2bi8A1 PHE 142 HE2 -0.02 0.12 -0.19 -0.04 7.38 7.25 2bi8A1 PHE 142 HZ -0.02 0.14 -0.20 -0.04 7.32 7.20 2bi8A1 ILE 143 H 0.07 0.63 0.10 -0.55 8.25 8.50 2bi8A1 ILE 143 HA 0.07 0.21 0.63 -0.75 4.18 4.34 2bi8A1 ILE 143 HB 0.05 -0.10 -0.02 -0.04 1.89 1.78 2bi8A1 ILE 143 HG12 -0.00 0.19 0.03 -0.04 1.49 1.67 2bi8A1 ILE 143 HG13 0.08 0.11 -0.31 -0.04 1.21 1.05 2bi8A1 ILE 143 HG23 0.02 -0.00 -0.16 -0.04 0.93 0.75 2bi8A1 ILE 143 HD13 0.14 -0.05 -0.26 -0.04 0.88 0.67 2bi8A1 GLY 144 H 0.01 0.21 -0.01 -0.55 8.43 8.11 2bi8A1 GLY 144 HA2 0.01 0.14 0.45 -0.51 4.01 4.11 2bi8A1 GLY 144 HA3 0.06 0.28 0.53 -0.51 4.01 4.37 2bi8A1 LYS 145 H 0.08 0.24 0.20 -0.55 8.42 8.38 2bi8A1 LYS 145 HA 0.15 0.07 0.29 -0.75 4.32 4.07 2bi8A1 LYS 145 HB2 0.06 0.06 0.12 -0.04 1.87 2.07 2bi8A1 LYS 145 HB3 0.09 0.03 0.14 -0.04 1.79 2.00 2bi8A1 LYS 145 HG2 0.11 -0.03 -0.10 -0.04 1.46 1.40 2bi8A1 LYS 145 HG3 0.12 -0.02 0.02 -0.04 1.46 1.53 2bi8A1 LYS 145 HD2 0.05 0.01 -0.00 -0.04 1.69 1.70 2bi8A1 LYS 145 HD3 0.06 0.04 0.01 -0.04 1.68 1.75 2bi8A1 LYS 145 HE2 0.07 -0.03 -0.04 -0.04 2.99 2.95 2bi8A1 LYS 145 HE3 0.06 -0.01 -0.02 -0.04 2.99 2.98 2bi8A1 GLU 146 H 0.14 0.20 0.10 -0.55 8.60 8.49 2bi8A1 GLU 146 HA 0.12 0.05 0.38 -0.75 4.29 4.09 2bi8A1 GLU 146 HB2 0.26 0.05 0.07 -0.04 2.09 2.43 2bi8A1 GLU 146 HB3 0.38 0.06 0.02 -0.04 1.99 2.40 2bi8A1 GLU 146 HG2 0.23 0.07 0.04 -0.04 2.34 2.64 2bi8A1 GLU 146 HG3 0.16 -0.07 0.08 -0.04 2.34 2.47 2bi8A1 LEU 147 H 0.04 0.22 -0.35 -0.55 8.37 7.74 2bi8A1 LEU 147 HA -0.22 0.07 0.40 -0.75 4.35 3.86 2bi8A1 LEU 147 HB2 0.05 0.16 -0.14 -0.04 1.64 1.67 2bi8A1 LEU 147 HB3 0.07 -0.01 -0.09 -0.04 1.64 1.57 2bi8A1 LEU 147 HG -0.13 -0.03 -0.06 -0.04 1.64 1.38 2bi8A1 LEU 147 HD13 0.04 0.06 -0.05 -0.04 0.93 0.94 2bi8A1 LEU 147 HD23 -0.85 -0.01 -0.09 -0.04 0.89 -0.10 2bi8A1 TYR 148 H 0.19 0.36 -0.29 -0.55 8.29 7.99 2bi8A1 TYR 148 HA 0.15 0.05 0.41 -0.75 4.56 4.42 2bi8A1 TYR 148 HB2 -0.07 0.05 -0.04 -0.04 3.06 2.97 2bi8A1 TYR 148 HB3 -0.01 0.10 0.17 -0.04 2.98 3.20 2bi8A1 TYR 148 HD2 -0.12 0.04 -0.00 -0.04 7.15 7.03 2bi8A1 TYR 148 HE2 -0.20 0.01 -0.07 -0.04 6.85 6.55 2bi8A1 GLU 149 H 0.04 0.67 -0.14 -0.55 8.60 8.62 2bi8A1 GLU 149 HA -0.37 -0.09 0.46 -0.75 4.29 3.53 2bi8A1 GLU 149 HB2 0.00 0.16 0.15 -0.04 2.09 2.36 2bi8A1 GLU 149 HB3 -0.06 -0.03 0.01 -0.04 1.99 1.87 2bi8A1 GLU 149 HG2 -0.08 -0.08 0.03 -0.04 2.34 2.16 2bi8A1 GLU 149 HG3 0.12 0.05 0.06 -0.04 2.34 2.53 2bi8A1 ALA 150 H -0.09 0.65 -0.00 -0.55 8.40 8.40 2bi8A1 ALA 150 HA -0.22 -0.04 0.42 -0.75 4.34 3.75 2bi8A1 ALA 150 HB3 -0.47 0.00 0.06 -0.04 1.41 0.97 2bi8A1 PHE 151 H -0.03 0.52 -0.22 -0.55 8.34 8.06 2bi8A1 PHE 151 HA -0.18 0.17 0.68 -0.75 4.62 4.53 2bi8A1 PHE 151 HB2 -0.17 0.14 0.03 -0.04 3.15 3.10 2bi8A1 PHE 151 HB3 -0.45 -0.03 0.03 -0.04 3.06 2.57 2bi8A1 PHE 151 HD2 -0.28 0.02 -0.04 -0.04 7.28 6.94 2bi8A1 PHE 151 HE2 -0.54 0.00 -0.12 -0.04 7.38 6.68 2bi8A1 PHE 151 HZ -1.62 0.03 -0.09 -0.04 7.32 5.60 2bi8A1 PHE 152 H 0.05 0.40 0.04 -0.55 8.34 8.28 2bi8A1 PHE 152 HA 0.13 0.23 1.06 -0.75 4.62 5.28 2bi8A1 PHE 152 HB2 0.01 0.09 0.22 -0.04 3.15 3.43 2bi8A1 PHE 152 HB3 0.05 -0.07 -0.01 -0.04 3.06 2.98 2bi8A1 PHE 152 HD2 0.28 0.01 -0.05 -0.04 7.28 7.48 2bi8A1 PHE 152 HE2 0.09 0.02 -0.03 -0.04 7.38 7.42 2bi8A1 PHE 152 HZ 0.00 0.02 0.03 -0.04 7.32 7.33 2bi8A1 LYS 153 H -0.33 0.52 0.26 -0.55 8.42 8.32 2bi8A1 LYS 153 HA -0.11 0.01 0.43 -0.75 4.32 3.89 2bi8A1 LYS 153 HB2 -1.02 0.02 0.06 -0.04 1.87 0.88 2bi8A1 LYS 153 HB3 -0.27 0.07 0.23 -0.04 1.79 1.77 2bi8A1 LYS 153 HG2 -0.05 0.01 -0.09 -0.04 1.46 1.29 2bi8A1 LYS 153 HG3 -0.04 -0.08 0.07 -0.04 1.46 1.37 2bi8A1 LYS 153 HD2 -0.09 -0.00 0.01 -0.04 1.69 1.57 2bi8A1 LYS 153 HD3 -0.06 0.03 0.01 -0.04 1.68 1.62 2bi8A1 LYS 153 HE2 0.04 0.01 0.00 -0.04 2.99 3.00 2bi8A1 LYS 153 HE3 0.11 -0.07 0.01 -0.04 2.99 3.00 2bi8A1 GLY 154 H -0.06 0.29 0.05 -0.55 8.43 8.16 2bi8A1 GLY 154 HA2 0.00 -0.03 0.40 -0.51 4.01 3.87 2bi8A1 GLY 154 HA3 -0.00 0.12 0.37 -0.51 4.01 3.99 2bi8A1 TYR 155 H 0.15 0.04 -0.47 -0.55 8.29 7.46 2bi8A1 TYR 155 HA -0.01 0.17 0.51 -0.75 4.56 4.48 2bi8A1 TYR 155 HB2 -0.03 0.03 0.00 -0.04 3.06 3.03 2bi8A1 TYR 155 HB3 0.02 0.05 0.01 -0.04 2.98 3.03 2bi8A1 TYR 155 HD2 -0.00 0.01 -0.09 -0.04 7.15 7.03 2bi8A1 TYR 155 HE2 -0.03 0.05 -0.01 -0.04 6.85 6.82 2bi8A1 THR 156 H 0.24 0.48 -0.09 -0.55 8.28 8.37 2bi8A1 THR 156 HA 0.35 0.03 0.53 -0.75 4.39 4.54 2bi8A1 THR 156 HB 0.28 0.08 0.23 -0.04 4.32 4.88 2bi8A1 THR 156 HG23 0.45 -0.01 -0.15 -0.04 1.22 1.48 2bi8A1 ILE 157 H 0.11 0.47 0.01 -0.55 8.25 8.28 2bi8A1 ILE 157 HA 0.11 0.03 0.40 -0.75 4.18 3.96 2bi8A1 ILE 157 HB 0.03 0.10 0.12 -0.04 1.89 2.10 2bi8A1 ILE 157 HG12 0.08 -0.10 -0.03 -0.04 1.49 1.39 2bi8A1 ILE 157 HG13 0.09 0.12 0.18 -0.04 1.21 1.56 2bi8A1 ILE 157 HG23 0.04 -0.02 -0.11 -0.04 0.93 0.80 2bi8A1 ILE 157 HD13 0.03 -0.05 -0.07 -0.04 0.88 0.75 2bi8A1 LYS 158 H -0.04 0.45 -0.27 -0.55 8.42 8.00 2bi8A1 LYS 158 HA -0.05 0.05 0.52 -0.75 4.32 4.09 2bi8A1 LYS 158 HB2 -0.19 0.12 0.18 -0.04 1.87 1.94 2bi8A1 LYS 158 HB3 -0.20 -0.05 -0.03 -0.04 1.79 1.46 2bi8A1 LYS 158 HG2 -0.07 0.03 0.07 -0.04 1.46 1.45 2bi8A1 LYS 158 HG3 -0.05 -0.17 0.04 -0.04 1.46 1.24 2bi8A1 LYS 158 HD2 -0.06 -0.00 0.08 -0.04 1.69 1.67 2bi8A1 LYS 158 HD3 -0.06 0.01 -0.21 -0.04 1.68 1.38 2bi8A1 LYS 158 HE2 -0.16 -0.19 -0.05 -0.04 2.99 2.55 2bi8A1 LYS 158 HE3 -0.12 -0.08 -0.28 -0.04 2.99 2.47 2bi8A1 GLN 159 H -0.24 0.50 -0.09 -0.55 8.47 8.10 2bi8A1 GLN 159 HA -0.40 0.01 0.40 -0.75 4.36 3.61 2bi8A1 GLN 159 HB2 -0.65 0.12 0.17 -0.04 2.15 1.75 2bi8A1 GLN 159 HB3 -0.62 -0.02 0.12 -0.04 2.02 1.46 2bi8A1 GLN 159 HG2 -0.67 -0.04 -0.03 -0.04 2.40 1.62 2bi8A1 GLN 159 HG3 -1.28 -0.03 -0.03 -0.04 2.39 1.01 2bi8A1 GLN 159 HE21 -0.20 -0.05 -0.04 -0.04 6.97 6.63 2bi8A1 GLN 159 HE22 -0.52 0.04 -0.01 -0.04 7.69 7.16 2bi8A1 TRP 160 H 0.04 0.72 0.00 -0.55 7.97 8.19 2bi8A1 TRP 160 HA 0.04 0.18 0.83 -0.75 4.62 4.92 2bi8A1 TRP 160 HB2 0.05 0.07 0.00 -0.04 3.23 3.31 2bi8A1 TRP 160 HB3 0.04 -0.07 -0.02 -0.04 3.23 3.14 2bi8A1 TRP 160 HD1 0.07 -0.03 -0.00 -0.04 7.22 7.21 2bi8A1 TRP 160 HE1 -0.03 -0.02 -0.05 -0.04 10.20 10.05 2bi8A1 TRP 160 HE3 0.05 -0.02 -0.02 -0.04 7.59 7.56 2bi8A1 TRP 160 HZ2 -0.20 -0.04 -0.04 -0.04 7.44 7.12 2bi8A1 TRP 160 HZ3 0.10 -0.04 -0.28 -0.04 7.13 6.86 2bi8A1 TRP 160 HH2 -0.08 -0.04 -0.08 -0.04 7.19 6.95 2bi8A1 GLY 161 H 0.10 0.32 -0.23 -0.55 8.43 8.07 2bi8A1 GLY 161 HA2 0.08 0.19 0.36 -0.51 4.01 4.13 2bi8A1 GLY 161 HA3 0.11 -0.03 0.46 -0.51 4.01 4.04 2bi8A1 MET 162 H 0.17 0.28 -0.06 -0.55 8.47 8.31 2bi8A1 MET 162 HA 0.11 0.07 0.62 -0.75 4.52 4.56 2bi8A1 MET 162 HB2 0.21 -0.01 -0.33 -0.04 2.15 1.99 2bi8A1 MET 162 HB3 0.13 0.02 -0.22 -0.04 2.03 1.91 2bi8A1 MET 162 HG2 0.08 -0.08 0.02 -0.04 2.63 2.60 2bi8A1 MET 162 HG3 0.12 0.30 -0.26 -0.04 2.56 2.68 2bi8A1 MET 162 HE3 0.13 0.06 -0.08 -0.04 2.10 2.17 2bi8A1 GLN 163 H 0.09 0.14 0.10 -0.55 8.47 8.27 2bi8A1 GLN 163 HA 0.12 0.21 0.71 -0.75 4.36 4.65 2bi8A1 GLN 163 HB2 0.08 -0.07 0.12 -0.04 2.15 2.24 2bi8A1 GLN 163 HB3 0.08 -0.03 0.12 -0.04 2.02 2.15 2bi8A1 GLN 163 HG2 0.07 0.02 0.05 -0.04 2.40 2.49 2bi8A1 GLN 163 HG3 0.05 0.03 0.03 -0.04 2.39 2.47 2bi8A1 GLN 163 HE21 0.05 0.05 -0.07 -0.04 6.97 6.95 2bi8A1 GLN 163 HE22 0.06 0.01 -0.12 -0.04 7.69 7.60 2bi8A1 PRO 164 HA 0.36 0.16 0.48 -0.51 4.44 4.93 2bi8A1 PRO 164 HB2 0.16 -0.05 -0.04 -0.04 2.28 2.30 2bi8A1 PRO 164 HB3 -0.01 0.08 -0.03 -0.04 2.02 2.02 2bi8A1 PRO 164 HG2 0.18 0.00 0.09 -0.04 2.03 2.26 2bi8A1 PRO 164 HG3 0.28 0.16 0.09 -0.04 2.03 2.51 2bi8A1 PRO 164 HD2 0.15 0.04 0.24 -0.04 3.68 4.07 2bi8A1 PRO 164 HD3 0.16 0.31 0.29 -0.04 3.65 4.37 2bi8A1 SER 165 H 0.10 0.13 -0.33 -0.55 8.46 7.81 2bi8A1 SER 165 HA 0.03 -0.03 0.66 -0.75 4.49 4.40 2bi8A1 SER 165 HB2 0.02 0.06 0.10 -0.04 3.95 4.08 2bi8A1 SER 165 HB3 0.03 -0.02 0.07 -0.04 3.93 3.96 2bi8A1 GLU 166 H 0.09 0.45 -0.33 -0.55 8.60 8.27 2bi8A1 GLU 166 HA 0.04 0.12 0.66 -0.75 4.29 4.36 2bi8A1 GLU 166 HB2 0.07 0.15 0.06 -0.04 2.09 2.33 2bi8A1 GLU 166 HB3 0.04 -0.01 0.14 -0.04 1.99 2.13 2bi8A1 GLU 166 HG2 0.04 0.04 -0.01 -0.04 2.34 2.37 2bi8A1 GLU 166 HG3 0.06 -0.15 0.04 -0.04 2.34 2.25 2bi8A1 LEU 167 H 0.10 0.14 -0.33 -0.55 8.37 7.73 2bi8A1 LEU 167 HA -0.01 0.20 0.86 -0.75 4.35 4.64 2bi8A1 LEU 167 HB2 0.20 -0.05 0.10 -0.04 1.64 1.85 2bi8A1 LEU 167 HB3 -0.06 0.08 0.09 -0.04 1.64 1.70 2bi8A1 LEU 167 HG 0.08 -0.04 -0.23 -0.04 1.64 1.41 2bi8A1 LEU 167 HD13 0.13 -0.01 -0.09 -0.04 0.93 0.91 2bi8A1 LEU 167 HD23 -0.15 0.03 -0.06 -0.04 0.89 0.67 2bi8A1 PRO 168 HA 0.00 0.33 0.61 -0.51 4.44 4.88 2bi8A1 PRO 168 HB2 -0.03 -0.09 0.08 -0.04 2.28 2.20 2bi8A1 PRO 168 HB3 -0.02 0.09 0.13 -0.04 2.02 2.18 2bi8A1 PRO 168 HG2 -0.08 -0.03 0.03 -0.04 2.03 1.91 2bi8A1 PRO 168 HG3 -0.06 0.08 0.09 -0.04 2.03 2.10 2bi8A1 PRO 168 HD2 -0.10 0.10 0.20 -0.04 3.68 3.84 2bi8A1 PRO 168 HD3 -0.06 0.17 0.25 -0.04 3.65 3.97 2bi8A1 ALA 169 H -0.00 0.44 -0.11 -0.55 8.40 8.18 2bi8A1 ALA 169 HA 0.06 0.03 -0.00 -0.75 4.34 3.67 2bi8A1 ALA 169 HB3 -0.03 -0.01 -0.26 -0.04 1.41 1.08 2bi8A1 SER 170 H -0.02 0.03 -0.44 -0.55 8.46 7.47 2bi8A1 SER 170 HA -0.01 0.10 0.21 -0.75 4.49 4.03 2bi8A1 SER 170 HB2 -0.06 0.00 -0.08 -0.04 3.95 3.77 2bi8A1 SER 170 HB3 -0.04 0.04 -0.03 -0.04 3.93 3.86 2bi8A1 ILE 171 H -0.10 0.30 -0.50 -0.55 8.25 7.40 2bi8A1 ILE 171 HA -0.16 0.06 0.36 -0.75 4.18 3.69 2bi8A1 ILE 171 HB -0.64 0.01 0.02 -0.04 1.89 1.25 2bi8A1 ILE 171 HG12 -0.24 0.01 -0.03 -0.04 1.49 1.18 2bi8A1 ILE 171 HG13 -0.22 0.06 0.02 -0.04 1.21 1.02 2bi8A1 ILE 171 HG23 -0.51 -0.00 -0.04 -0.04 0.93 0.34 2bi8A1 ILE 171 HD13 -0.39 -0.01 0.00 -0.04 0.88 0.45 2bi8A1 LEU 172 H 0.02 0.39 -0.34 -0.55 8.37 7.89 2bi8A1 LEU 172 HA 0.06 0.12 0.85 -0.75 4.35 4.63 2bi8A1 LEU 172 HB2 0.34 -0.09 -0.06 -0.04 1.64 1.78 2bi8A1 LEU 172 HB3 0.29 0.01 0.11 -0.04 1.64 2.01 2bi8A1 LEU 172 HG 0.25 0.14 -0.13 -0.04 1.64 1.85 2bi8A1 LEU 172 HD13 0.12 -0.01 0.01 -0.04 0.93 1.00 2bi8A1 LEU 172 HD23 0.13 -0.03 -0.09 -0.04 0.89 0.87 2bi8A1 LYS 173 H 0.03 0.18 -0.02 -0.55 8.42 8.05 2bi8A1 LYS 173 HA 0.09 0.10 0.33 -0.75 4.32 4.09 2bi8A1 LYS 173 HB2 0.01 -0.04 0.03 -0.04 1.87 1.83 2bi8A1 LYS 173 HB3 0.02 -0.02 0.03 -0.04 1.79 1.78 2bi8A1 LYS 173 HG2 0.00 0.11 -0.05 -0.04 1.46 1.48 2bi8A1 LYS 173 HG3 -0.00 -0.04 0.01 -0.04 1.46 1.39 2bi8A1 LYS 173 HD2 0.00 -0.06 -0.00 -0.04 1.69 1.59 2bi8A1 LYS 173 HD3 0.01 -0.01 -0.03 -0.04 1.68 1.61 2bi8A1 LYS 173 HE2 -0.01 -0.08 -0.00 -0.04 2.99 2.85 2bi8A1 LYS 173 HE3 -0.02 0.23 0.06 -0.04 2.99 3.22 2bi8A1 ARG 174 H -0.03 0.10 -0.11 -0.55 8.46 7.86 2bi8A1 ARG 174 HA -0.16 0.18 0.85 -0.75 4.34 4.46 2bi8A1 ARG 174 HB2 -0.13 0.00 -0.08 -0.04 1.90 1.65 2bi8A1 ARG 174 HB3 -0.15 0.03 0.04 -0.04 1.80 1.68 2bi8A1 ARG 174 HG2 -0.02 0.12 -0.45 -0.04 1.67 1.27 2bi8A1 ARG 174 HG3 -0.04 -0.06 -0.14 -0.04 1.67 1.38 2bi8A1 ARG 174 HD2 -0.05 -0.03 -0.05 -0.04 3.22 3.05 2bi8A1 ARG 174 HD3 -0.06 0.03 -0.02 -0.04 3.22 3.13 2bi8A1 LEU 175 H -0.65 0.11 0.09 -0.55 8.37 7.38 2bi8A1 LEU 175 HA -1.19 0.10 0.48 -0.75 4.35 2.98 2bi8A1 LEU 175 HB2 -0.42 0.05 0.12 -0.04 1.64 1.35 2bi8A1 LEU 175 HB3 -0.23 -0.05 0.16 -0.04 1.64 1.48 2bi8A1 LEU 175 HG -0.15 -0.08 -0.26 -0.04 1.64 1.10 2bi8A1 LEU 175 HD13 -0.03 0.03 -0.11 -0.04 0.93 0.78 2bi8A1 LEU 175 HD23 0.18 -0.01 -0.05 -0.04 0.89 0.98 2bi8A1 PRO 176 HA -0.14 0.11 0.56 -0.51 4.44 4.46 2bi8A1 PRO 176 HB2 0.18 -0.04 0.20 -0.04 2.28 2.57 2bi8A1 PRO 176 HB3 0.05 0.04 0.10 -0.04 2.02 2.17 2bi8A1 PRO 176 HG2 -0.00 -0.02 0.05 -0.04 2.03 2.02 2bi8A1 PRO 176 HG3 -0.18 0.01 0.07 -0.04 2.03 1.89 2bi8A1 PRO 176 HD2 -0.21 0.05 0.08 -0.04 3.68 3.56 2bi8A1 PRO 176 HD3 -0.38 0.24 0.24 -0.04 3.65 3.71 2bi8A1 VAL 177 H -0.22 0.51 -0.21 -0.55 8.24 7.76 2bi8A1 VAL 177 HA -0.31 0.29 0.65 -0.75 4.13 4.01 2bi8A1 VAL 177 HB -0.46 -0.04 -0.17 -0.04 2.12 1.42 2bi8A1 VAL 177 HG13 -0.93 -0.03 -0.32 -0.04 0.97 -0.35 2bi8A1 VAL 177 HG23 -0.18 -0.01 -0.32 -0.04 0.95 0.39 2bi8A1 ARG 178 H -0.38 0.63 0.27 -0.55 8.46 8.42 2bi8A1 ARG 178 HA -0.21 0.11 0.81 -0.75 4.34 4.31 2bi8A1 ARG 178 HB2 -0.19 0.06 -0.05 -0.04 1.90 1.68 2bi8A1 ARG 178 HB3 -0.21 0.11 0.13 -0.04 1.80 1.78 2bi8A1 ARG 178 HG2 -0.11 -0.22 -0.21 -0.04 1.67 1.08 2bi8A1 ARG 178 HG3 -0.10 -0.00 -0.03 -0.04 1.67 1.50 2bi8A1 ARG 178 HD2 -0.12 0.19 -0.05 -0.04 3.22 3.19 2bi8A1 ARG 178 HD3 -0.08 -0.16 -0.08 -0.04 3.22 2.86 2bi8A1 PHE 179 H 0.03 0.21 0.03 -0.55 8.34 8.06 2bi8A1 PHE 179 HA -0.12 0.14 0.45 -0.75 4.62 4.34 2bi8A1 PHE 179 HB2 -0.07 0.02 0.12 -0.04 3.15 3.18 2bi8A1 PHE 179 HB3 -0.07 -0.05 0.18 -0.04 3.06 3.08 2bi8A1 PHE 179 HD2 -0.07 -0.01 -0.08 -0.04 7.28 7.08 2bi8A1 PHE 179 HE2 -0.06 0.08 -0.33 -0.04 7.38 7.03 2bi8A1 PHE 179 HZ -0.05 0.07 -0.11 -0.04 7.32 7.19 2bi8A1 ASN 180 H -0.13 0.44 -0.30 -0.55 8.53 7.99 2bi8A1 ASN 180 HA -0.14 0.14 0.45 -0.75 4.76 4.45 2bi8A1 ASN 180 HB2 0.02 -0.13 0.21 -0.04 2.88 2.94 2bi8A1 ASN 180 HB3 0.00 0.17 0.07 -0.04 2.79 2.99 2bi8A1 ASN 180 HD21 -0.02 0.07 -0.09 -0.04 7.03 6.94 2bi8A1 ASN 180 HD22 0.00 0.06 -0.15 -0.04 7.74 7.61 2bi8A1 TYR 181 H 0.10 0.18 0.14 -0.55 8.29 8.16 2bi8A1 TYR 181 HA 0.02 0.07 0.65 -0.75 4.56 4.56 2bi8A1 TYR 181 HB2 0.01 0.02 0.09 -0.04 3.06 3.14 2bi8A1 TYR 181 HB3 0.03 0.06 0.13 -0.04 2.98 3.16 2bi8A1 TYR 181 HD2 0.05 -0.00 0.02 -0.04 7.15 7.17 2bi8A1 TYR 181 HE2 -0.06 0.03 -0.10 -0.04 6.85 6.69 2bi8A1 ASP 182 H 0.03 -0.03 -0.22 -0.55 8.40 7.63 2bi8A1 ASP 182 HA 0.04 0.03 0.50 -0.75 4.63 4.44 2bi8A1 ASP 182 HB2 -0.03 -0.00 0.03 -0.04 2.71 2.67 2bi8A1 ASP 182 HB3 -0.02 0.05 -0.03 -0.04 2.70 2.66 2bi8A1 ASP 183 H 0.02 0.07 0.17 -0.55 8.40 8.11 2bi8A1 ASP 183 HA -0.04 0.33 0.86 -0.75 4.63 5.02 2bi8A1 ASP 183 HB2 -0.01 0.07 0.11 -0.04 2.71 2.84 2bi8A1 ASP 183 HB3 0.03 0.00 -0.16 -0.04 2.70 2.53 2bi8A1 ASN 184 H -0.01 -0.08 -0.03 -0.55 8.53 7.87 2bi8A1 ASN 184 HA 0.03 0.12 0.60 -0.75 4.76 4.75 2bi8A1 ASN 184 HB2 0.05 0.07 0.03 -0.04 2.88 2.99 2bi8A1 ASN 184 HB3 0.02 -0.04 0.08 -0.04 2.79 2.82 2bi8A1 ASN 184 HD21 -0.03 -0.08 -0.20 -0.04 7.03 6.68 2bi8A1 ASN 184 HD22 0.01 0.47 -0.24 -0.04 7.74 7.95 2bi8A1 TYR 185 H 0.07 0.50 0.31 -0.55 8.29 8.63 2bi8A1 TYR 185 HA -0.24 0.16 0.52 -0.75 4.56 4.25 2bi8A1 TYR 185 HB2 -0.23 0.05 0.04 -0.04 3.06 2.88 2bi8A1 TYR 185 HB3 -0.74 -0.11 0.02 -0.04 2.98 2.11 2bi8A1 TYR 185 HD2 -1.01 0.04 -0.22 -0.04 7.15 5.92 2bi8A1 TYR 185 HE2 -0.20 -0.03 -0.11 -0.04 6.85 6.47 2bi8A1 PHE 186 H 0.12 0.10 -0.05 -0.55 8.34 7.96 2bi8A1 PHE 186 HA -0.01 0.16 0.72 -0.75 4.62 4.75 2bi8A1 PHE 186 HB2 0.13 0.03 0.04 -0.04 3.15 3.31 2bi8A1 PHE 186 HB3 0.31 -0.13 -0.04 -0.04 3.06 3.16 2bi8A1 PHE 186 HD2 0.10 -0.02 -0.03 -0.04 7.28 7.30 2bi8A1 PHE 186 HE2 0.18 0.01 -0.06 -0.04 7.38 7.46 2bi8A1 PHE 186 HZ 0.15 0.03 -0.07 -0.04 7.32 7.39 2bi8A1 ASN 187 H -0.02 0.13 0.09 -0.55 8.53 8.18 2bi8A1 ASN 187 HA -0.02 0.22 0.54 -0.75 4.76 4.75 2bi8A1 ASN 187 HB2 -0.16 -0.04 0.02 -0.04 2.88 2.65 2bi8A1 ASN 187 HB3 -0.10 0.01 0.07 -0.04 2.79 2.72 2bi8A1 ASN 187 HD21 -0.13 0.07 -0.07 -0.04 7.03 6.85 2bi8A1 ASN 187 HD22 -0.12 -0.04 -0.02 -0.04 7.74 7.52 2bi8A1 HIS 188 H 0.07 -0.04 -0.29 -0.55 8.41 7.60 2bi8A1 HIS 188 HA -0.02 -0.01 0.22 -0.75 4.63 4.06 2bi8A1 HIS 188 HB2 0.03 0.10 -0.19 -0.04 3.26 3.17 2bi8A1 HIS 188 HB3 0.02 -0.10 -0.31 -0.04 3.20 2.76 2bi8A1 HIS 188 HD2 0.03 -0.18 -0.14 -0.04 6.97 6.64 2bi8A1 HIS 188 HE1 -0.15 0.08 -0.02 -0.04 7.75 7.61 2bi8A1 LYS 189 H -0.05 0.00 0.12 -0.55 8.42 7.94 2bi8A1 LYS 189 HA -0.25 0.15 0.40 -0.75 4.32 3.87 2bi8A1 LYS 189 HB2 -0.28 0.01 0.16 -0.04 1.87 1.72 2bi8A1 LYS 189 HB3 -0.50 -0.06 0.20 -0.04 1.79 1.39 2bi8A1 LYS 189 HG2 -1.64 0.01 -0.24 -0.04 1.46 -0.45 2bi8A1 LYS 189 HG3 -0.51 0.03 0.05 -0.04 1.46 0.99 2bi8A1 LYS 189 HD2 -0.27 0.00 0.03 -0.04 1.69 1.41 2bi8A1 LYS 189 HD3 -0.64 -0.04 -0.03 -0.04 1.68 0.92 2bi8A1 LYS 189 HE2 -0.41 0.01 -0.03 -0.04 2.99 2.52 2bi8A1 LYS 189 HE3 -0.21 0.02 0.00 -0.04 2.99 2.76 2bi8A1 PHE 190 H -0.09 0.45 0.09 -0.55 8.34 8.24 2bi8A1 PHE 190 HA -0.60 0.20 0.85 -0.75 4.62 4.32 2bi8A1 PHE 190 HB2 -0.44 -0.07 0.10 -0.04 3.15 2.70 2bi8A1 PHE 190 HB3 -2.36 0.02 -0.08 -0.04 3.06 0.60 2bi8A1 PHE 190 HD2 -0.67 0.02 -0.19 -0.04 7.28 6.41 2bi8A1 PHE 190 HE2 -0.08 0.01 -0.14 -0.04 7.38 7.13 2bi8A1 PHE 190 HZ -0.02 0.02 -0.06 -0.04 7.32 7.22 2bi8A1 GLN 191 H -0.19 0.29 0.10 -0.55 8.47 8.13 2bi8A1 GLN 191 HA 0.22 0.20 1.10 -0.75 4.36 5.13 2bi8A1 GLN 191 HB2 0.11 -0.01 0.07 -0.04 2.15 2.28 2bi8A1 GLN 191 HB3 0.24 0.17 0.12 -0.04 2.02 2.51 2bi8A1 GLN 191 HG2 0.20 -0.06 -0.01 -0.04 2.40 2.49 2bi8A1 GLN 191 HG3 0.11 -0.01 -0.63 -0.04 2.39 1.81 2bi8A1 GLN 191 HE21 0.16 0.30 -0.05 -0.04 6.97 7.33 2bi8A1 GLN 191 HE22 0.13 0.44 -0.23 -0.04 7.69 7.98 2bi8A1 GLY 192 H 0.52 0.48 0.28 -0.55 8.43 9.17 2bi8A1 GLY 192 HA2 0.42 0.21 0.82 -0.51 4.01 4.96 2bi8A1 GLY 192 HA3 0.56 -0.07 0.22 -0.51 4.01 4.20 2bi8A1 MET 193 H 0.20 0.42 0.26 -0.55 8.47 8.80 2bi8A1 MET 193 HA 0.13 0.07 0.84 -0.75 4.52 4.81 2bi8A1 MET 193 HB2 0.29 -0.01 -0.16 -0.04 2.15 2.23 2bi8A1 MET 193 HB3 0.45 0.01 0.05 -0.04 2.03 2.50 2bi8A1 MET 193 HG2 0.33 0.35 0.09 -0.04 2.63 3.36 2bi8A1 MET 193 HG3 0.19 -0.01 0.04 -0.04 2.56 2.74 2bi8A1 MET 193 HE3 0.09 0.01 0.13 -0.04 2.10 2.29 2bi8A1 PRO 194 HA -0.20 0.20 0.48 -0.51 4.44 4.41 2bi8A1 PRO 194 HB2 -0.23 -0.05 -0.16 -0.04 2.28 1.79 2bi8A1 PRO 194 HB3 -0.29 0.10 -0.09 -0.04 2.02 1.70 2bi8A1 PRO 194 HG2 -0.69 -0.11 0.01 -0.04 2.03 1.20 2bi8A1 PRO 194 HG3 -1.25 0.03 -0.13 -0.04 2.03 0.64 2bi8A1 PRO 194 HD2 -0.43 0.17 0.23 -0.04 3.68 3.61 2bi8A1 PRO 194 HD3 -0.38 0.11 0.06 -0.04 3.65 3.39 2bi8A1 LYS 195 H -0.21 0.71 0.38 -0.55 8.42 8.76 2bi8A1 LYS 195 HA -0.26 0.10 0.31 -0.75 4.32 3.72 2bi8A1 LYS 195 HB2 -0.44 0.09 0.14 -0.04 1.87 1.62 2bi8A1 LYS 195 HB3 -0.17 -0.11 0.18 -0.04 1.79 1.65 2bi8A1 LYS 195 HG2 0.02 -0.01 -0.18 -0.04 1.46 1.26 2bi8A1 LYS 195 HG3 -0.44 0.01 0.06 -0.04 1.46 1.06 2bi8A1 LYS 195 HD2 -0.29 0.00 0.00 -0.04 1.69 1.37 2bi8A1 LYS 195 HD3 -0.11 -0.02 -0.01 -0.04 1.68 1.50 2bi8A1 LYS 195 HE2 0.02 0.01 -0.01 -0.04 2.99 2.96 2bi8A1 LYS 195 HE3 -0.36 0.01 -0.00 -0.04 2.99 2.60 2bi8A1 CYS 196 H -0.04 0.02 -0.23 -0.55 8.50 7.71 2bi8A1 CYS 196 HA 0.09 0.22 0.69 -0.75 4.58 4.83 2bi8A1 CYS 196 HB2 -0.03 -0.02 0.04 -0.04 2.97 2.92 2bi8A1 CYS 196 HB3 0.00 -0.01 0.14 -0.04 2.97 3.06 2bi8A1 GLY 197 H -0.03 0.25 -0.48 -0.55 8.43 7.63 2bi8A1 GLY 197 HA2 -0.13 0.14 0.28 -0.51 4.01 3.80 2bi8A1 GLY 197 HA3 -0.04 0.10 0.41 -0.51 4.01 3.97 2bi8A1 TYR 198 H -0.10 0.24 0.15 -0.55 8.29 8.03 2bi8A1 TYR 198 HA -0.00 0.08 0.47 -0.75 4.56 4.35 2bi8A1 TYR 198 HB2 -0.11 0.24 0.12 -0.04 3.06 3.28 2bi8A1 TYR 198 HB3 -0.04 -0.07 0.01 -0.04 2.98 2.84 2bi8A1 TYR 198 HD2 0.02 -0.01 0.05 -0.04 7.15 7.16 2bi8A1 TYR 198 HE2 -0.13 0.05 0.03 -0.04 6.85 6.76 2bi8A1 THR 199 H -0.01 0.11 -0.06 -0.55 8.28 7.76 2bi8A1 THR 199 HA 0.01 0.04 0.39 -0.75 4.39 4.07 2bi8A1 THR 199 HB -0.08 0.07 0.13 -0.04 4.32 4.39 2bi8A1 THR 199 HG23 0.10 0.02 -0.10 -0.04 1.22 1.19 2bi8A1 GLN 200 H -0.03 0.20 -0.22 -0.55 8.47 7.87 2bi8A1 GLN 200 HA -0.01 0.06 0.46 -0.75 4.36 4.11 2bi8A1 GLN 200 HB2 -0.03 0.08 -0.07 -0.04 2.15 2.09 2bi8A1 GLN 200 HB3 -0.02 0.03 -0.03 -0.04 2.02 1.95 2bi8A1 GLN 200 HG2 -0.02 0.07 0.07 -0.04 2.40 2.48 2bi8A1 GLN 200 HG3 -0.01 0.01 0.04 -0.04 2.39 2.38 2bi8A1 GLN 200 HE21 0.01 0.02 -0.06 -0.04 6.97 6.90 2bi8A1 GLN 200 HE22 -0.01 -0.06 -0.09 -0.04 7.69 7.49 2bi8A1 MET 201 H -0.04 0.32 -0.26 -0.55 8.47 7.94 2bi8A1 MET 201 HA -0.01 0.39 0.47 -0.75 4.52 4.62 2bi8A1 MET 201 HB2 -0.06 0.00 0.05 -0.04 2.15 2.11 2bi8A1 MET 201 HB3 0.05 0.04 0.12 -0.04 2.03 2.21 2bi8A1 MET 201 HG2 0.07 0.00 -0.15 -0.04 2.63 2.52 2bi8A1 MET 201 HG3 -0.04 0.06 -0.23 -0.04 2.56 2.31 2bi8A1 MET 201 HE3 0.20 -0.01 -0.10 -0.04 2.10 2.15 2bi8A1 ILE 202 H -0.06 0.58 -0.11 -0.55 8.25 8.11 2bi8A1 ILE 202 HA -0.12 0.03 0.41 -0.75 4.18 3.75 2bi8A1 ILE 202 HB -0.14 0.07 0.06 -0.04 1.89 1.84 2bi8A1 ILE 202 HG12 -0.72 -0.05 -0.07 -0.04 1.49 0.61 2bi8A1 ILE 202 HG13 -0.37 0.19 0.03 -0.04 1.21 1.02 2bi8A1 ILE 202 HG23 -0.17 -0.02 -0.11 -0.04 0.93 0.60 2bi8A1 ILE 202 HD13 -0.81 -0.06 -0.07 -0.04 0.88 -0.10 2bi8A1 LYS 203 H -0.03 0.47 -0.26 -0.55 8.42 8.05 2bi8A1 LYS 203 HA -0.02 -0.01 0.47 -0.75 4.32 4.01 2bi8A1 LYS 203 HB2 0.00 0.05 0.12 -0.04 1.87 2.00 2bi8A1 LYS 203 HB3 -0.01 0.15 0.12 -0.04 1.79 2.01 2bi8A1 LYS 203 HG2 0.00 0.02 -0.04 -0.04 1.46 1.40 2bi8A1 LYS 203 HG3 0.01 -0.07 0.01 -0.04 1.46 1.37 2bi8A1 LYS 203 HD2 0.01 -0.06 -0.03 -0.04 1.69 1.58 2bi8A1 LYS 203 HD3 0.00 0.04 -0.05 -0.04 1.68 1.63 2bi8A1 LYS 203 HE2 0.01 -0.02 -0.02 -0.04 2.99 2.91 2bi8A1 LYS 203 HE3 0.00 0.03 -0.05 -0.04 2.99 2.94 2bi8A1 SER 204 H -0.02 0.49 -0.20 -0.55 8.46 8.19 2bi8A1 SER 204 HA 0.03 0.03 0.49 -0.75 4.49 4.28 2bi8A1 SER 204 HB2 0.03 -0.06 0.13 -0.04 3.95 4.01 2bi8A1 SER 204 HB3 0.04 0.22 0.29 -0.04 3.93 4.45 2bi8A1 ILE 205 H -0.15 0.39 -0.10 -0.55 8.25 7.84 2bi8A1 ILE 205 HA -0.56 0.06 0.36 -0.75 4.18 3.29 2bi8A1 ILE 205 HB -0.14 0.03 0.07 -0.04 1.89 1.82 2bi8A1 ILE 205 HG12 -0.79 -0.00 -0.05 -0.04 1.49 0.61 2bi8A1 ILE 205 HG13 -0.50 0.21 0.05 -0.04 1.21 0.93 2bi8A1 ILE 205 HG23 -0.05 -0.03 -0.30 -0.04 0.93 0.51 2bi8A1 ILE 205 HD13 0.15 -0.07 -0.14 -0.04 0.88 0.78 2bi8A1 LEU 206 H -0.05 0.31 -0.54 -0.55 8.37 7.53 2bi8A1 LEU 206 HA -0.01 0.05 0.43 -0.75 4.35 4.07 2bi8A1 LEU 206 HB2 -0.01 0.10 0.07 -0.04 1.64 1.75 2bi8A1 LEU 206 HB3 0.00 -0.07 0.08 -0.04 1.64 1.61 2bi8A1 LEU 206 HG -0.06 0.14 -0.00 -0.04 1.64 1.68 2bi8A1 LEU 206 HD13 -0.04 -0.05 -0.06 -0.04 0.93 0.74 2bi8A1 LEU 206 HD23 -0.03 -0.02 -0.07 -0.04 0.89 0.72 2bi8A1 ASN 207 H 0.01 0.42 -0.67 -0.55 8.53 7.74 2bi8A1 ASN 207 HA 0.03 -0.00 0.38 -0.75 4.76 4.41 2bi8A1 ASN 207 HB2 0.02 0.07 0.17 -0.04 2.88 3.09 2bi8A1 ASN 207 HB3 0.04 0.13 0.28 -0.04 2.79 3.20 2bi8A1 ASN 207 HD21 -0.01 -0.06 0.00 -0.04 7.03 6.92 2bi8A1 ASN 207 HD22 0.01 0.01 0.05 -0.04 7.74 7.77 2bi8A1 HIS 208 H 0.10 0.56 0.35 -0.55 8.41 8.87 2bi8A1 HIS 208 HA 0.01 0.07 0.64 -0.75 4.63 4.59 2bi8A1 HIS 208 HB2 0.02 0.15 -0.31 -0.04 3.26 3.08 2bi8A1 HIS 208 HB3 0.02 -0.03 -0.06 -0.04 3.20 3.09 2bi8A1 HIS 208 HD2 0.02 0.06 0.01 -0.04 6.97 7.02 2bi8A1 HIS 208 HE1 0.01 0.13 -0.04 -0.04 7.75 7.80 2bi8A1 GLU 209 H -0.44 0.17 0.14 -0.55 8.60 7.93 2bi8A1 GLU 209 HA -0.02 0.07 0.36 -0.75 4.29 3.95 2bi8A1 GLU 209 HB2 -0.04 0.06 -0.03 -0.04 2.09 2.03 2bi8A1 GLU 209 HB3 -0.04 0.01 0.08 -0.04 1.99 2.00 2bi8A1 GLU 209 HG2 -0.11 0.01 0.05 -0.04 2.34 2.25 2bi8A1 GLU 209 HG3 -0.17 -0.02 0.11 -0.04 2.34 2.21 2bi8A1 ASN 210 H 0.72 0.02 -0.34 -0.55 8.53 8.38 2bi8A1 ASN 210 HA 0.12 0.12 0.56 -0.75 4.76 4.81 2bi8A1 ASN 210 HB2 0.19 -0.09 0.07 -0.04 2.88 3.01 2bi8A1 ASN 210 HB3 0.09 0.20 0.25 -0.04 2.79 3.29 2bi8A1 ASN 210 HD21 0.08 -0.09 -0.01 -0.04 7.03 6.97 2bi8A1 ASN 210 HD22 0.07 0.53 0.19 -0.04 7.74 8.49 2bi8A1 ILE 211 H 0.16 0.50 -0.30 -0.55 8.25 8.06 2bi8A1 ILE 211 HA 0.08 0.28 1.03 -0.75 4.18 4.81 2bi8A1 ILE 211 HB 0.08 0.17 0.19 -0.04 1.89 2.29 2bi8A1 ILE 211 HG12 0.03 -0.01 -0.17 -0.04 1.49 1.30 2bi8A1 ILE 211 HG13 0.05 -0.13 -0.21 -0.04 1.21 0.88 2bi8A1 ILE 211 HG23 0.04 -0.06 -0.22 -0.04 0.93 0.65 2bi8A1 ILE 211 HD13 0.01 -0.02 -0.18 -0.04 0.88 0.66 2bi8A1 LYS 212 H 0.11 0.66 0.34 -0.55 8.42 8.98 2bi8A1 LYS 212 HA 0.06 0.12 0.85 -0.75 4.32 4.60 2bi8A1 LYS 212 HB2 0.03 0.05 0.04 -0.04 1.87 1.95 2bi8A1 LYS 212 HB3 0.06 0.04 0.16 -0.04 1.79 2.01 2bi8A1 LYS 212 HG2 -0.08 -0.04 -0.08 -0.04 1.46 1.22 2bi8A1 LYS 212 HG3 0.11 0.01 -0.34 -0.04 1.46 1.20 2bi8A1 LYS 212 HD2 0.02 0.02 0.05 -0.04 1.69 1.75 2bi8A1 LYS 212 HD3 -0.02 -0.00 -0.01 -0.04 1.68 1.61 2bi8A1 LYS 212 HE2 0.04 0.09 -0.07 -0.04 2.99 3.02 2bi8A1 LYS 212 HE3 0.01 -0.03 -0.01 -0.04 2.99 2.92 2bi8A1 VAL 213 H 0.06 0.20 0.10 -0.55 8.24 8.05 2bi8A1 VAL 213 HA 0.05 0.29 0.97 -0.75 4.13 4.69 2bi8A1 VAL 213 HB 0.02 0.00 0.09 -0.04 2.12 2.20 2bi8A1 VAL 213 HG13 -0.01 -0.04 -0.20 -0.04 0.97 0.68 2bi8A1 VAL 213 HG23 0.01 0.01 -0.12 -0.04 0.95 0.81 2bi8A1 ASP 214 H 0.02 0.74 0.33 -0.55 8.40 8.94 2bi8A1 ASP 214 HA 0.04 0.15 0.92 -0.75 4.63 4.99 2bi8A1 ASP 214 HB2 0.09 -0.02 0.11 -0.04 2.71 2.85 2bi8A1 ASP 214 HB3 0.07 0.04 -0.01 -0.04 2.70 2.76 2bi8A1 LEU 215 H 0.00 0.15 0.05 -0.55 8.37 8.03 2bi8A1 LEU 215 HA -0.05 0.14 0.81 -0.75 4.35 4.49 2bi8A1 LEU 215 HB2 -0.02 0.03 -0.01 -0.04 1.64 1.60 2bi8A1 LEU 215 HB3 -0.06 0.04 0.09 -0.04 1.64 1.67 2bi8A1 LEU 215 HG -0.02 -0.01 -0.24 -0.04 1.64 1.34 2bi8A1 LEU 215 HD13 -0.01 0.01 -0.25 -0.04 0.93 0.63 2bi8A1 LEU 215 HD23 -0.08 -0.01 -0.31 -0.04 0.89 0.45 2bi8A1 GLN 216 H -0.08 0.63 0.08 -0.55 8.47 8.56 2bi8A1 GLN 216 HA -0.05 0.20 0.11 -0.75 4.36 3.86 2bi8A1 GLN 216 HB2 -0.02 0.11 -0.09 -0.04 2.15 2.12 2bi8A1 GLN 216 HB3 -0.02 -0.03 0.19 -0.04 2.02 2.12 2bi8A1 GLN 216 HG2 -0.04 -0.03 -0.07 -0.04 2.40 2.22 2bi8A1 GLN 216 HG3 -0.03 -0.06 -0.11 -0.04 2.39 2.16 2bi8A1 GLN 216 HE21 0.00 -0.01 0.00 -0.04 6.97 6.93 2bi8A1 GLN 216 HE22 -0.00 0.01 -0.03 -0.04 7.69 7.62 2bi8A1 ARG 217 H -0.04 0.52 -0.44 -0.55 8.46 7.94 2bi8A1 ARG 217 HA -0.01 0.16 0.89 -0.75 4.34 4.62 2bi8A1 ARG 217 HB2 0.01 0.12 -0.27 -0.04 1.90 1.71 2bi8A1 ARG 217 HB3 -0.02 -0.01 -0.14 -0.04 1.80 1.59 2bi8A1 ARG 217 HG2 -0.00 -0.11 -0.34 -0.04 1.67 1.18 2bi8A1 ARG 217 HG3 0.01 0.10 -0.19 -0.04 1.67 1.54 2bi8A1 ARG 217 HD2 0.04 0.01 -0.08 -0.04 3.22 3.15 2bi8A1 ARG 217 HD3 0.06 -0.00 -0.11 -0.04 3.22 3.12 2bi8A1 GLU 218 H -0.01 0.21 0.03 -0.55 8.60 8.29 2bi8A1 GLU 218 HA 0.01 -0.07 0.59 -0.75 4.29 4.07 2bi8A1 GLU 218 HB2 -0.01 0.02 0.08 -0.04 2.09 2.14 2bi8A1 GLU 218 HB3 0.00 0.18 -0.07 -0.04 1.99 2.06 2bi8A1 GLU 218 HG2 0.01 -0.06 0.04 -0.04 2.34 2.29 2bi8A1 GLU 218 HG3 -0.01 -0.03 -0.03 -0.04 2.34 2.22 2bi8A1 PHE 219 H 0.16 0.02 0.09 -0.55 8.34 8.06 2bi8A1 PHE 219 HA -0.03 0.08 0.44 -0.75 4.62 4.36 2bi8A1 PHE 219 HB2 0.00 -0.02 0.07 -0.04 3.15 3.16 2bi8A1 PHE 219 HB3 0.06 -0.03 0.07 -0.04 3.06 3.11 2bi8A1 PHE 219 HD2 0.04 0.00 -0.11 -0.04 7.28 7.18 2bi8A1 PHE 219 HE2 -0.20 0.05 -0.12 -0.04 7.38 7.07 2bi8A1 PHE 219 HZ -0.05 0.08 -0.08 -0.04 7.32 7.22 2bi8A1 ILE 220 H -0.46 0.23 0.13 -0.55 8.25 7.59 2bi8A1 ILE 220 HA -0.43 0.19 0.64 -0.75 4.18 3.83 2bi8A1 ILE 220 HB -0.21 -0.05 0.11 -0.04 1.89 1.71 2bi8A1 ILE 220 HG12 -0.12 0.03 -0.02 -0.04 1.49 1.34 2bi8A1 ILE 220 HG13 -0.12 0.12 -0.42 -0.04 1.21 0.75 2bi8A1 ILE 220 HG23 -0.18 -0.05 -0.02 -0.04 0.93 0.64 2bi8A1 ILE 220 HD13 -0.05 0.00 -0.03 -0.04 0.88 0.76 2bi8A1 VAL 221 H -0.52 0.24 0.05 -0.55 8.24 7.46 2bi8A1 VAL 221 HA -0.65 0.06 0.20 -0.75 4.13 2.99 2bi8A1 VAL 221 HB -0.23 0.04 -0.04 -0.04 2.12 1.86 2bi8A1 VAL 221 HG13 -0.28 0.02 0.04 -0.04 0.97 0.71 2bi8A1 VAL 221 HG23 -0.30 0.01 0.07 -0.04 0.95 0.69 2bi8A1 GLU 222 H -0.25 0.04 -0.34 -0.55 8.60 7.51 2bi8A1 GLU 222 HA -0.13 0.11 0.35 -0.75 4.29 3.86 2bi8A1 GLU 222 HB2 -0.11 -0.01 0.01 -0.04 2.09 1.93 2bi8A1 GLU 222 HB3 -0.09 0.06 0.00 -0.04 1.99 1.92 2bi8A1 GLU 222 HG2 -0.13 -0.07 0.01 -0.04 2.34 2.11 2bi8A1 GLU 222 HG3 -0.09 0.02 0.00 -0.04 2.34 2.22 2bi8A1 GLU 223 H -0.18 0.28 -0.13 -0.55 8.60 8.02 2bi8A1 GLU 223 HA -0.23 0.04 0.36 -0.75 4.29 3.71 2bi8A1 GLU 223 HB2 0.02 0.08 0.00 -0.04 2.09 2.15 2bi8A1 GLU 223 HB3 0.30 0.01 -0.06 -0.04 1.99 2.20 2bi8A1 GLU 223 HG2 0.15 0.01 0.03 -0.04 2.34 2.50 2bi8A1 GLU 223 HG3 -0.06 -0.03 0.10 -0.04 2.34 2.30 2bi8A1 ARG 224 H -0.03 0.34 -0.47 -0.55 8.46 7.75 2bi8A1 ARG 224 HA 0.15 -0.02 0.26 -0.75 4.34 3.97 2bi8A1 ARG 224 HB2 0.00 0.23 0.13 -0.04 1.90 2.22 2bi8A1 ARG 224 HB3 0.02 0.01 -0.08 -0.04 1.80 1.71 2bi8A1 ARG 224 HG2 0.21 -0.08 0.02 -0.04 1.67 1.77 2bi8A1 ARG 224 HG3 0.22 0.02 0.07 -0.04 1.67 1.94 2bi8A1 ARG 224 HD2 -0.00 0.05 -0.04 -0.04 3.22 3.18 2bi8A1 ARG 224 HD3 -0.03 -0.03 -0.04 -0.04 3.22 3.08 2bi8A1 THR 225 H -0.15 0.29 -0.40 -0.55 8.28 7.47 2bi8A1 THR 225 HA -0.02 0.12 0.40 -0.75 4.39 4.14 2bi8A1 THR 225 HB -0.04 -0.01 0.11 -0.04 4.32 4.33 2bi8A1 THR 225 HG23 -0.05 -0.01 0.03 -0.04 1.22 1.14 2bi8A1 HIS 226 H -0.19 0.64 -0.15 -0.55 8.41 8.17 2bi8A1 HIS 226 HA -0.12 0.10 0.68 -0.75 4.63 4.53 2bi8A1 HIS 226 HB2 -0.42 0.04 0.04 -0.04 3.26 2.87 2bi8A1 HIS 226 HB3 -0.34 -0.05 0.15 -0.04 3.20 2.92 2bi8A1 HIS 226 HD2 -0.05 0.05 -0.13 -0.04 6.97 6.80 2bi8A1 HIS 226 HE1 0.00 -0.07 -0.05 -0.04 7.75 7.59 2bi8A1 TYR 227 H 0.13 0.37 -0.35 -0.55 8.29 7.89 2bi8A1 TYR 227 HA 0.07 0.15 1.01 -0.75 4.56 5.04 2bi8A1 TYR 227 HB2 0.01 0.03 -0.05 -0.04 3.06 3.01 2bi8A1 TYR 227 HB3 0.04 0.09 0.13 -0.04 2.98 3.19 2bi8A1 TYR 227 HD2 0.09 0.05 -0.44 -0.04 7.15 6.81 2bi8A1 TYR 227 HE2 0.20 -0.02 -0.14 -0.04 6.85 6.85 2bi8A1 ASP 228 H 0.18 0.53 0.39 -0.55 8.40 8.96 2bi8A1 ASP 228 HA 0.09 0.09 0.65 -0.75 4.63 4.72 2bi8A1 ASP 228 HB2 0.15 -0.03 0.08 -0.04 2.71 2.87 2bi8A1 ASP 228 HB3 0.13 0.03 0.06 -0.04 2.70 2.88 2bi8A1 HIS 229 H 0.11 0.26 0.07 -0.55 8.41 8.30 2bi8A1 HIS 229 HA -0.17 0.29 0.55 -0.75 4.63 4.55 2bi8A1 HIS 229 HB2 -0.10 0.09 -0.35 -0.04 3.26 2.86 2bi8A1 HIS 229 HB3 -0.51 -0.12 -0.17 -0.04 3.20 2.35 2bi8A1 HIS 229 HD2 -2.14 -0.13 -0.40 -0.04 6.97 4.26 2bi8A1 HIS 229 HE1 -0.17 0.20 -0.23 -0.04 7.75 7.50 2bi8A1 VAL 230 H -0.86 0.62 0.38 -0.55 8.24 7.83 2bi8A1 VAL 230 HA -0.33 0.32 1.15 -0.75 4.13 4.52 2bi8A1 VAL 230 HB -0.42 -0.05 0.15 -0.04 2.12 1.76 2bi8A1 VAL 230 HG13 -0.29 -0.03 -0.19 -0.04 0.97 0.42 2bi8A1 VAL 230 HG23 -0.14 0.01 -0.07 -0.04 0.95 0.70 2bi8A1 PHE 231 H -0.12 0.60 0.33 -0.55 8.34 8.60 2bi8A1 PHE 231 HA -0.21 0.33 0.99 -0.75 4.62 4.98 2bi8A1 PHE 231 HB2 -0.14 -0.05 0.14 -0.04 3.15 3.06 2bi8A1 PHE 231 HB3 -0.12 -0.07 -0.02 -0.04 3.06 2.81 2bi8A1 PHE 231 HD2 -0.12 0.00 -0.12 -0.04 7.28 7.00 2bi8A1 PHE 231 HE2 -0.33 0.04 -0.18 -0.04 7.38 6.87 2bi8A1 PHE 231 HZ -1.01 0.04 -0.15 -0.04 7.32 6.16 2bi8A1 TYR 232 H -0.11 0.83 0.31 -0.55 8.29 8.77 2bi8A1 TYR 232 HA -0.21 0.03 1.05 -0.75 4.56 4.67 2bi8A1 TYR 232 HB2 -0.54 0.05 -0.11 -0.04 3.06 2.42 2bi8A1 TYR 232 HB3 -0.47 0.06 0.15 -0.04 2.98 2.68 2bi8A1 TYR 232 HD2 -0.26 0.07 -0.09 -0.04 7.15 6.84 2bi8A1 TYR 232 HE2 -0.34 0.05 -0.26 -0.04 6.85 6.26 2bi8A1 SER 233 H -0.34 0.59 0.35 -0.55 8.46 8.52 2bi8A1 SER 233 HA -0.00 0.45 1.00 -0.75 4.49 5.18 2bi8A1 SER 233 HB2 -0.05 -0.19 0.14 -0.04 3.95 3.80 2bi8A1 SER 233 HB3 -0.07 -0.01 -0.09 -0.04 3.93 3.73 2bi8A1 GLY 234 H -0.92 0.04 -0.09 -0.55 8.43 6.92 2bi8A1 GLY 234 HA2 -0.21 0.09 0.69 -0.51 4.01 4.08 2bi8A1 GLY 234 HA3 -0.53 0.04 0.27 -0.51 4.01 3.28 2bi8A1 PRO 235 HA 0.09 0.17 0.29 -0.51 4.44 4.48 2bi8A1 PRO 235 HB2 0.04 -0.16 0.11 -0.04 2.28 2.23 2bi8A1 PRO 235 HB3 0.07 0.10 0.11 -0.04 2.02 2.26 2bi8A1 PRO 235 HG2 0.03 0.10 0.10 -0.04 2.03 2.21 2bi8A1 PRO 235 HG3 -0.03 0.10 0.12 -0.04 2.03 2.18 2bi8A1 PRO 235 HD2 0.01 0.09 0.16 -0.04 3.68 3.91 2bi8A1 PRO 235 HD3 -0.07 0.12 0.24 -0.04 3.65 3.90 2bi8A1 LEU 236 H 0.06 0.47 0.21 -0.55 8.37 8.57 2bi8A1 LEU 236 HA -0.11 0.11 0.36 -0.75 4.35 3.96 2bi8A1 LEU 236 HB2 -0.07 0.22 0.08 -0.04 1.64 1.82 2bi8A1 LEU 236 HB3 -0.08 -0.06 0.07 -0.04 1.64 1.53 2bi8A1 LEU 236 HG -0.12 -0.08 -0.24 -0.04 1.64 1.16 2bi8A1 LEU 236 HD13 -0.90 0.02 0.02 -0.04 0.93 0.04 2bi8A1 LEU 236 HD23 0.03 0.02 -0.11 -0.04 0.89 0.79 2bi8A1 ASP 237 H -0.21 0.11 -0.07 -0.55 8.40 7.69 2bi8A1 ASP 237 HA -1.08 0.14 0.50 -0.75 4.63 3.44 2bi8A1 ASP 237 HB2 -0.15 0.08 0.08 -0.04 2.71 2.67 2bi8A1 ASP 237 HB3 -0.65 0.06 0.11 -0.04 2.70 2.18 2bi8A1 ALA 238 H -0.18 0.14 -0.46 -0.55 8.40 7.36 2bi8A1 ALA 238 HA -1.17 0.04 0.38 -0.75 4.34 2.85 2bi8A1 ALA 238 HB3 -0.12 0.06 0.05 -0.04 1.41 1.35 2bi8A1 PHE 239 H 0.06 0.49 -0.10 -0.55 8.34 8.24 2bi8A1 PHE 239 HA -0.16 -0.00 0.39 -0.75 4.62 4.10 2bi8A1 PHE 239 HB2 -0.39 -0.03 0.03 -0.04 3.15 2.72 2bi8A1 PHE 239 HB3 -0.46 0.21 0.07 -0.04 3.06 2.85 2bi8A1 PHE 239 HD2 -1.87 -0.02 -0.19 -0.04 7.28 5.17 2bi8A1 PHE 239 HE2 -0.46 0.00 -0.07 -0.04 7.38 6.82 2bi8A1 PHE 239 HZ -0.18 0.02 -0.04 -0.04 7.32 7.08 2bi8A1 TYR 240 H 0.02 0.19 -0.63 -0.55 8.29 7.31 2bi8A1 TYR 240 HA -0.02 0.21 0.77 -0.75 4.56 4.76 2bi8A1 TYR 240 HB2 0.28 -0.02 0.11 -0.04 3.06 3.39 2bi8A1 TYR 240 HB3 0.12 -0.04 0.18 -0.04 2.98 3.20 2bi8A1 TYR 240 HD2 0.12 0.08 0.01 -0.04 7.15 7.32 2bi8A1 TYR 240 HE2 0.00 0.01 -0.07 -0.04 6.85 6.75 2bi8A1 GLY 241 H -0.18 0.68 -0.44 -0.55 8.43 7.94 2bi8A1 GLY 241 HA2 -0.16 0.04 0.30 -0.51 4.01 3.69 2bi8A1 GLY 241 HA3 -0.04 0.02 0.27 -0.51 4.01 3.76 2bi8A1 TYR 242 H -0.30 0.65 -0.09 -0.55 8.29 8.00 2bi8A1 TYR 242 HA 0.23 0.00 0.21 -0.75 4.56 4.25 2bi8A1 TYR 242 HB2 0.07 0.14 0.15 -0.04 3.06 3.38 2bi8A1 TYR 242 HB3 0.12 -0.12 -0.14 -0.04 2.98 2.80 2bi8A1 TYR 242 HD2 0.03 0.05 -0.22 -0.04 7.15 6.97 2bi8A1 TYR 242 HE2 0.01 -0.01 -0.07 -0.04 6.85 6.74 2bi8A1 GLN 243 H 0.18 0.30 -0.16 -0.55 8.47 8.24 2bi8A1 GLN 243 HA 0.02 0.15 0.45 -0.75 4.36 4.22 2bi8A1 GLN 243 HB2 -0.17 -0.04 0.10 -0.04 2.15 2.00 2bi8A1 GLN 243 HB3 -0.05 0.18 0.09 -0.04 2.02 2.20 2bi8A1 GLN 243 HG2 -0.21 -0.01 0.07 -0.04 2.40 2.21 2bi8A1 GLN 243 HG3 -1.10 -0.03 -0.27 -0.04 2.39 0.96 2bi8A1 GLN 243 HE21 -0.02 -0.04 0.01 -0.04 6.97 6.89 2bi8A1 GLN 243 HE22 0.06 0.16 0.08 -0.04 7.69 7.94 2bi8A1 TYR 244 H 0.17 0.00 -0.20 -0.55 8.29 7.71 2bi8A1 TYR 244 HA -0.04 0.23 0.88 -0.75 4.56 4.87 2bi8A1 TYR 244 HB2 -0.61 -0.01 0.01 -0.04 3.06 2.41 2bi8A1 TYR 244 HB3 -0.22 0.00 0.08 -0.04 2.98 2.80 2bi8A1 TYR 244 HD2 -0.76 0.00 -0.06 -0.04 7.15 6.30 2bi8A1 TYR 244 HE2 -0.23 0.05 -0.11 -0.04 6.85 6.51 2bi8A1 GLY 245 H 0.29 0.05 -0.38 -0.55 8.43 7.84 2bi8A1 GLY 245 HA2 0.15 0.06 0.30 -0.51 4.01 4.01 2bi8A1 GLY 245 HA3 0.15 0.21 0.70 -0.51 4.01 4.57 2bi8A1 ARG 246 H 0.08 0.15 0.10 -0.55 8.46 8.24 2bi8A1 ARG 246 HA 0.19 0.00 0.53 -0.75 4.34 4.30 2bi8A1 ARG 246 HB2 -0.00 -0.02 0.11 -0.04 1.90 1.94 2bi8A1 ARG 246 HB3 0.00 0.14 -0.07 -0.04 1.80 1.83 2bi8A1 ARG 246 HG2 -0.69 -0.01 -0.02 -0.04 1.67 0.92 2bi8A1 ARG 246 HG3 -0.28 -0.02 -0.01 -0.04 1.67 1.33 2bi8A1 ARG 246 HD2 -0.16 -0.03 -0.00 -0.04 3.22 2.98 2bi8A1 ARG 246 HD3 -0.11 0.08 -0.04 -0.04 3.22 3.11 2bi8A1 LEU 247 H 0.12 0.05 0.15 -0.55 8.37 8.14 2bi8A1 LEU 247 HA -0.02 0.06 0.62 -0.75 4.35 4.26 2bi8A1 LEU 247 HB2 -0.03 -0.06 0.11 -0.04 1.64 1.61 2bi8A1 LEU 247 HB3 -0.75 0.06 -0.01 -0.04 1.64 0.90 2bi8A1 LEU 247 HG -0.12 0.00 0.02 -0.04 1.64 1.51 2bi8A1 LEU 247 HD13 -0.46 -0.02 0.01 -0.04 0.93 0.42 2bi8A1 LEU 247 HD23 -0.29 0.02 -0.07 -0.04 0.89 0.51 2bi8A1 GLY 248 H 0.09 0.05 0.19 -0.55 8.43 8.21 2bi8A1 GLY 248 HA2 0.17 0.11 0.44 -0.51 4.01 4.22 2bi8A1 GLY 248 HA3 0.15 -0.07 0.40 -0.51 4.01 3.98 2bi8A1 TYR 249 H 0.29 0.28 0.33 -0.55 8.29 8.64 2bi8A1 TYR 249 HA 0.30 0.21 0.96 -0.75 4.56 5.28 2bi8A1 TYR 249 HB2 0.16 0.06 0.01 -0.04 3.06 3.26 2bi8A1 TYR 249 HB3 0.19 -0.01 -0.11 -0.04 2.98 3.02 2bi8A1 TYR 249 HD2 0.22 0.06 -0.42 -0.04 7.15 6.97 2bi8A1 TYR 249 HE2 0.23 0.04 -0.27 -0.04 6.85 6.81 2bi8A1 ARG 250 H 0.46 0.76 0.38 -0.55 8.46 9.51 2bi8A1 ARG 250 HA 0.21 0.18 1.02 -0.75 4.34 4.99 2bi8A1 ARG 250 HB2 0.33 -0.14 0.25 -0.04 1.90 2.30 2bi8A1 ARG 250 HB3 0.12 0.10 0.14 -0.04 1.80 2.11 2bi8A1 ARG 250 HG2 0.37 -0.13 -0.06 -0.04 1.67 1.81 2bi8A1 ARG 250 HG3 0.32 -0.01 0.04 -0.04 1.67 1.98 2bi8A1 ARG 250 HD2 0.13 0.01 0.19 -0.04 3.22 3.50 2bi8A1 ARG 250 HD3 -0.02 0.03 0.05 -0.04 3.22 3.24 2bi8A1 THR 251 H 0.12 0.55 0.10 -0.55 8.28 8.51 2bi8A1 THR 251 HA 0.31 0.16 1.04 -0.75 4.39 5.15 2bi8A1 THR 251 HB 0.14 -0.09 -0.06 -0.04 4.32 4.27 2bi8A1 THR 251 HG23 0.04 0.00 -0.30 -0.04 1.22 0.92 2bi8A1 LEU 252 H -0.32 0.21 0.15 -0.55 8.37 7.87 2bi8A1 LEU 252 HA -0.35 0.48 1.05 -0.75 4.35 4.78 2bi8A1 LEU 252 HB2 -1.56 -0.04 0.05 -0.04 1.64 0.05 2bi8A1 LEU 252 HB3 -1.11 -0.00 -0.08 -0.04 1.64 0.41 2bi8A1 LEU 252 HG -0.77 -0.07 -0.21 -0.04 1.64 0.55 2bi8A1 LEU 252 HD13 -0.16 -0.00 -0.10 -0.04 0.93 0.63 2bi8A1 LEU 252 HD23 -0.15 0.06 -0.14 -0.04 0.89 0.62 2bi8A1 ASP 253 H -0.22 0.60 0.28 -0.55 8.40 8.52 2bi8A1 ASP 253 HA -0.20 0.13 0.91 -0.75 4.63 4.72 2bi8A1 ASP 253 HB2 -0.05 -0.02 0.12 -0.04 2.71 2.72 2bi8A1 ASP 253 HB3 -0.08 0.01 -0.01 -0.04 2.70 2.57 2bi8A1 PHE 254 H -0.11 0.20 0.11 -0.55 8.34 7.99 2bi8A1 PHE 254 HA -0.06 0.35 1.05 -0.75 4.62 5.21 2bi8A1 PHE 254 HB2 -0.60 -0.01 0.14 -0.04 3.15 2.63 2bi8A1 PHE 254 HB3 -1.10 -0.02 -0.04 -0.04 3.06 1.86 2bi8A1 PHE 254 HD2 -0.05 0.01 -0.06 -0.04 7.28 7.14 2bi8A1 PHE 254 HE2 0.13 -0.01 -0.10 -0.04 7.38 7.36 2bi8A1 PHE 254 HZ -0.03 0.11 -0.25 -0.04 7.32 7.11 2bi8A1 LYS 255 H 0.22 0.67 0.23 -0.55 8.42 8.98 2bi8A1 LYS 255 HA 0.09 0.08 0.89 -0.75 4.32 4.62 2bi8A1 LYS 255 HB2 0.16 0.00 0.05 -0.04 1.87 2.04 2bi8A1 LYS 255 HB3 0.26 -0.06 0.21 -0.04 1.79 2.16 2bi8A1 LYS 255 HG2 0.10 0.07 0.01 -0.04 1.46 1.59 2bi8A1 LYS 255 HG3 0.04 -0.01 0.01 -0.04 1.46 1.45 2bi8A1 LYS 255 HD2 0.08 -0.08 -0.03 -0.04 1.69 1.62 2bi8A1 LYS 255 HD3 0.14 0.07 -0.25 -0.04 1.68 1.60 2bi8A1 LYS 255 HE2 -0.12 -0.01 -0.05 -0.04 2.99 2.77 2bi8A1 LYS 255 HE3 -0.01 0.01 -0.02 -0.04 2.99 2.93 2bi8A1 LYS 256 H 0.11 0.16 0.19 -0.55 8.42 8.33 2bi8A1 LYS 256 HA 0.32 0.26 0.70 -0.75 4.32 4.84 2bi8A1 LYS 256 HB2 0.17 0.03 0.09 -0.04 1.87 2.12 2bi8A1 LYS 256 HB3 0.11 -0.03 0.15 -0.04 1.79 1.98 2bi8A1 LYS 256 HG2 0.08 -0.01 -0.12 -0.04 1.46 1.37 2bi8A1 LYS 256 HG3 0.21 -0.01 -0.01 -0.04 1.46 1.62 2bi8A1 LYS 256 HD2 0.09 0.04 0.00 -0.04 1.69 1.78 2bi8A1 LYS 256 HD3 0.06 -0.01 -0.04 -0.04 1.68 1.64 2bi8A1 LYS 256 HE2 0.00 -0.04 -0.02 -0.04 2.99 2.89 2bi8A1 LYS 256 HE3 -0.01 -0.04 -0.04 -0.04 2.99 2.85 2bi8A1 PHE 257 H -0.17 0.59 0.45 -0.55 8.34 8.66 2bi8A1 PHE 257 HA 0.02 0.08 0.46 -0.75 4.62 4.42 2bi8A1 PHE 257 HB2 -0.01 0.01 0.10 -0.04 3.15 3.21 2bi8A1 PHE 257 HB3 -0.01 0.10 -0.00 -0.04 3.06 3.10 2bi8A1 PHE 257 HD2 -0.07 0.09 -0.26 -0.04 7.28 6.99 2bi8A1 PHE 257 HE2 -0.74 -0.04 -0.17 -0.04 7.38 6.39 2bi8A1 PHE 257 HZ -0.84 -0.00 -0.16 -0.04 7.32 6.28 2bi8A1 THR 258 H 0.16 0.22 0.17 -0.55 8.28 8.28 2bi8A1 THR 258 HA -0.05 0.35 1.11 -0.75 4.39 5.05 2bi8A1 THR 258 HB 0.04 -0.00 0.09 -0.04 4.32 4.40 2bi8A1 THR 258 HG23 0.00 -0.02 -0.21 -0.04 1.22 0.95 2bi8A1 TYR 259 H 0.11 0.68 0.36 -0.55 8.29 8.88 2bi8A1 TYR 259 HA 0.11 0.14 0.82 -0.75 4.56 4.88 2bi8A1 TYR 259 HB2 0.15 -0.04 -0.09 -0.04 3.06 3.04 2bi8A1 TYR 259 HB3 0.11 -0.00 -0.05 -0.04 2.98 3.00 2bi8A1 TYR 259 HD2 0.20 -0.02 -0.42 -0.04 7.15 6.88 2bi8A1 TYR 259 HE2 0.12 0.05 -0.17 -0.04 6.85 6.81 2bi8A1 GLN 260 H -0.46 0.17 0.05 -0.55 8.47 7.69 2bi8A1 GLN 260 HA -0.08 0.07 0.82 -0.75 4.36 4.42 2bi8A1 GLN 260 HB2 -0.12 -0.05 0.05 -0.04 2.15 1.99 2bi8A1 GLN 260 HB3 -0.22 0.01 0.16 -0.04 2.02 1.92 2bi8A1 GLN 260 HG2 -0.07 -0.03 -0.02 -0.04 2.40 2.24 2bi8A1 GLN 260 HG3 -0.07 0.07 -0.14 -0.04 2.39 2.21 2bi8A1 GLN 260 HE21 -0.02 -0.07 -0.10 -0.04 6.97 6.73 2bi8A1 GLN 260 HE22 -0.03 0.04 -0.08 -0.04 7.69 7.58 2bi8A1 GLY 261 H 0.01 0.55 0.29 -0.55 8.43 8.73 2bi8A1 GLY 261 HA2 0.04 -0.06 0.42 -0.51 4.01 3.90 2bi8A1 GLY 261 HA3 0.05 0.10 0.83 -0.51 4.01 4.48 2bi8A1 ASP 262 HA 0.23 0.21 0.49 -0.75 4.63 4.80 2bi8A1 ASP 262 HB2 0.13 0.08 -0.21 -0.04 2.71 2.67 2bi8A1 ASP 262 HB3 0.14 0.07 0.07 -0.04 2.70 2.93 2bi8A1 TYR 263 H 0.26 0.09 0.11 -0.55 8.29 8.21 2bi8A1 TYR 263 HA -0.59 0.15 0.14 -0.75 4.56 3.51 2bi8A1 TYR 263 HB2 -0.19 0.01 -0.02 -0.04 3.06 2.82 2bi8A1 TYR 263 HB3 -0.08 -0.08 0.03 -0.04 2.98 2.81 2bi8A1 TYR 263 HD2 -0.53 -0.02 -0.18 -0.04 7.15 6.38 2bi8A1 TYR 263 HE2 -0.04 -0.00 -0.10 -0.04 6.85 6.67 2bi8A1 GLN 264 H 0.07 -0.12 -0.01 -0.55 8.47 7.86 2bi8A1 GLN 264 HA -0.19 0.30 0.87 -0.75 4.36 4.59 2bi8A1 GLN 264 HB2 -0.05 0.03 0.02 -0.04 2.15 2.10 2bi8A1 GLN 264 HB3 0.04 0.02 -0.23 -0.04 2.02 1.82 2bi8A1 GLN 264 HG2 0.06 -0.12 -0.05 -0.04 2.40 2.24 2bi8A1 GLN 264 HG3 -0.12 -0.08 -0.21 -0.04 2.39 1.93 2bi8A1 GLN 264 HE21 -0.01 0.32 -0.22 -0.04 6.97 7.02 2bi8A1 GLN 264 HE22 -0.10 0.34 -0.22 -0.04 7.69 7.68 2bi8A1 GLY 265 H 0.00 -0.07 -0.04 -0.55 8.43 7.77 2bi8A1 GLY 265 HA2 -0.06 0.02 0.24 -0.51 4.01 3.69 2bi8A1 GLY 265 HA3 -0.12 0.14 0.32 -0.51 4.01 3.84 2bi8A1 CYS 266 H -0.48 0.18 -0.28 -0.55 8.50 7.37 2bi8A1 CYS 266 HA -0.77 0.13 0.44 -0.75 4.58 3.62 2bi8A1 CYS 266 HB2 -0.20 -0.01 0.13 -0.04 2.97 2.84 2bi8A1 CYS 266 HB3 -0.24 0.17 -0.05 -0.04 2.97 2.80 2bi8A1 ALA 267 H -0.22 0.23 0.15 -0.55 8.40 8.01 2bi8A1 ALA 267 HA -0.32 0.14 0.49 -0.75 4.34 3.90 2bi8A1 ALA 267 HB3 -0.66 0.03 -0.00 -0.04 1.41 0.74 2bi8A1 VAL 268 H -0.11 0.21 -0.05 -0.55 8.24 7.74 2bi8A1 VAL 268 HA -0.01 0.29 1.04 -0.75 4.13 4.70 2bi8A1 VAL 268 HB 0.01 -0.01 0.05 -0.04 2.12 2.13 2bi8A1 VAL 268 HG13 0.05 0.01 -0.18 -0.04 0.97 0.81 2bi8A1 VAL 268 HG23 0.19 -0.02 -0.27 -0.04 0.95 0.81 2bi8A1 MET 269 H 0.03 0.66 0.29 -0.55 8.47 8.91 2bi8A1 MET 269 HA -0.09 0.24 0.86 -0.75 4.52 4.77 2bi8A1 MET 269 HB2 -0.06 0.01 -0.05 -0.04 2.15 2.01 2bi8A1 MET 269 HB3 0.08 -0.03 0.15 -0.04 2.03 2.19 2bi8A1 MET 269 HG2 -0.14 -0.02 -0.08 -0.04 2.63 2.34 2bi8A1 MET 269 HG3 -0.67 0.06 -0.31 -0.04 2.56 1.59 2bi8A1 MET 269 HE3 -0.10 0.00 -0.08 -0.04 2.10 1.88 2bi8A1 ASN 270 H -0.09 0.69 0.35 -0.55 8.53 8.92 2bi8A1 ASN 270 HA 0.13 0.17 0.94 -0.75 4.76 5.25 2bi8A1 ASN 270 HB2 -0.08 0.00 0.21 -0.04 2.88 2.97 2bi8A1 ASN 270 HB3 -0.02 0.04 -0.00 -0.04 2.79 2.77 2bi8A1 ASN 270 HD21 -0.17 -0.03 -0.06 -0.04 7.03 6.73 2bi8A1 ASN 270 HD22 -0.36 -0.00 -0.04 -0.04 7.74 7.29 2bi8A1 TYR 271 H 0.31 0.74 0.18 -0.55 8.29 8.96 2bi8A1 TYR 271 HA 0.06 0.18 1.00 -0.75 4.56 5.05 2bi8A1 TYR 271 HB2 0.00 0.17 0.02 -0.04 3.06 3.21 2bi8A1 TYR 271 HB3 -0.06 -0.05 0.07 -0.04 2.98 2.89 2bi8A1 TYR 271 HD2 0.13 -0.03 -0.15 -0.04 7.15 7.07 2bi8A1 TYR 271 HE2 0.12 -0.03 -0.08 -0.04 6.85 6.82 2bi8A1 CYS 272 H 0.07 0.38 0.16 -0.55 8.50 8.56 2bi8A1 CYS 272 HA 0.36 0.10 0.29 -0.75 4.58 4.58 2bi8A1 CYS 272 HB2 -0.04 0.02 0.11 -0.04 2.97 3.03 2bi8A1 CYS 272 HB3 0.01 -0.04 0.10 -0.04 2.97 3.00 2bi8A1 SER 273 H 0.06 0.06 -0.12 -0.55 8.46 7.91 2bi8A1 SER 273 HA -0.01 0.03 0.48 -0.75 4.49 4.23 2bi8A1 SER 273 HB2 -0.00 -0.04 0.14 -0.04 3.95 4.00 2bi8A1 SER 273 HB3 0.01 0.07 0.04 -0.04 3.93 4.01 2bi8A1 VAL 274 H -0.02 0.06 0.22 -0.55 8.24 7.95 2bi8A1 VAL 274 HA -0.04 0.29 0.62 -0.75 4.13 4.25 2bi8A1 VAL 274 HB -0.02 -0.10 0.18 -0.04 2.12 2.14 2bi8A1 VAL 274 HG13 -0.01 0.00 -0.13 -0.04 0.97 0.79 2bi8A1 VAL 274 HG23 -0.01 0.01 0.09 -0.04 0.95 1.01 2bi8A1 ASP 275 H -0.03 -0.03 -0.11 -0.55 8.40 7.68 2bi8A1 ASP 275 HA -0.04 0.11 0.45 -0.75 4.63 4.39 2bi8A1 ASP 275 HB2 -0.03 -0.08 0.02 -0.04 2.71 2.58 2bi8A1 ASP 275 HB3 -0.04 0.04 0.06 -0.04 2.70 2.72 2bi8A1 VAL 276 H -0.09 0.27 -0.75 -0.55 8.24 7.12 2bi8A1 VAL 276 HA -0.29 0.14 0.79 -0.75 4.13 4.02 2bi8A1 VAL 276 HB -0.20 0.21 0.07 -0.04 2.12 2.16 2bi8A1 VAL 276 HG13 -1.14 -0.03 -0.05 -0.04 0.97 -0.29 2bi8A1 VAL 276 HG23 -0.07 -0.06 -0.13 -0.04 0.95 0.65 2bi8A1 PRO 277 HA -0.05 0.15 0.30 -0.51 4.44 4.33 2bi8A1 PRO 277 HB2 0.22 -0.01 -0.01 -0.04 2.28 2.44 2bi8A1 PRO 277 HB3 0.03 0.02 0.06 -0.04 2.02 2.08 2bi8A1 PRO 277 HG2 0.23 -0.03 0.05 -0.04 2.03 2.23 2bi8A1 PRO 277 HG3 0.06 0.02 0.05 -0.04 2.03 2.12 2bi8A1 PRO 277 HD2 -0.51 0.03 0.16 -0.04 3.68 3.31 2bi8A1 PRO 277 HD3 -0.15 0.20 0.11 -0.04 3.65 3.77 2bi8A1 TYR 278 H -0.65 0.01 -0.06 -0.55 8.29 7.03 2bi8A1 TYR 278 HA -0.54 0.18 0.90 -0.75 4.56 4.35 2bi8A1 TYR 278 HB2 -0.48 -0.06 0.14 -0.04 3.06 2.62 2bi8A1 TYR 278 HB3 -1.38 -0.04 -0.03 -0.04 2.98 1.49 2bi8A1 TYR 278 HD2 -0.12 -0.01 -0.19 -0.04 7.15 6.80 2bi8A1 TYR 278 HE2 -0.69 0.00 -0.07 -0.04 6.85 6.05 2bi8A1 THR 279 H -0.05 0.60 0.44 -0.55 8.28 8.72 2bi8A1 THR 279 HA -0.04 0.27 0.46 -0.75 4.39 4.33 2bi8A1 THR 279 HB -0.12 0.00 0.13 -0.04 4.32 4.30 2bi8A1 THR 279 HG23 -0.00 -0.03 -0.10 -0.04 1.22 1.04 2bi8A1 ARG 280 H 0.16 0.17 0.28 -0.55 8.46 8.52 2bi8A1 ARG 280 HA 0.44 0.14 0.57 -0.75 4.34 4.73 2bi8A1 ARG 280 HB2 0.16 0.05 -0.01 -0.04 1.90 2.06 2bi8A1 ARG 280 HB3 0.21 0.08 0.16 -0.04 1.80 2.21 2bi8A1 ARG 280 HG2 0.16 -0.04 -0.31 -0.04 1.67 1.45 2bi8A1 ARG 280 HG3 0.17 -0.05 -0.16 -0.04 1.67 1.59 2bi8A1 ARG 280 HD2 0.14 -0.02 -0.17 -0.04 3.22 3.13 2bi8A1 ARG 280 HD3 0.16 0.02 -0.14 -0.04 3.22 3.22 2bi8A1 ILE 281 H 0.27 0.66 0.36 -0.55 8.25 8.98 2bi8A1 ILE 281 HA 0.10 0.37 1.10 -0.75 4.18 5.00 2bi8A1 ILE 281 HB 0.32 -0.01 0.10 -0.04 1.89 2.26 2bi8A1 ILE 281 HG12 -0.16 0.01 0.02 -0.04 1.49 1.31 2bi8A1 ILE 281 HG13 -0.01 -0.06 -0.26 -0.04 1.21 0.85 2bi8A1 ILE 281 HG23 0.17 -0.01 -0.24 -0.04 0.93 0.80 2bi8A1 ILE 281 HD13 -0.05 0.00 -0.08 -0.04 0.88 0.70 2bi8A1 THR 282 H 0.05 0.49 0.34 -0.55 8.28 8.61 2bi8A1 THR 282 HA -0.06 0.44 1.22 -0.75 4.39 5.24 2bi8A1 THR 282 HB -0.11 0.03 0.08 -0.04 4.32 4.27 2bi8A1 THR 282 HG23 0.13 -0.00 -0.11 -0.04 1.22 1.20 2bi8A1 GLU 283 H -0.19 0.67 0.26 -0.55 8.60 8.80 2bi8A1 GLU 283 HA -0.19 0.17 1.04 -0.75 4.29 4.56 2bi8A1 GLU 283 HB2 0.02 -0.00 -0.02 -0.04 2.09 2.04 2bi8A1 GLU 283 HB3 0.03 0.15 0.18 -0.04 1.99 2.31 2bi8A1 GLU 283 HG2 0.11 -0.09 -0.13 -0.04 2.34 2.19 2bi8A1 GLU 283 HG3 -0.01 0.07 -0.08 -0.04 2.34 2.28 2bi8A1 HIS 284 H -0.17 0.56 0.25 -0.55 8.41 8.51 2bi8A1 HIS 284 HA -0.13 0.02 0.13 -0.75 4.63 3.89 2bi8A1 HIS 284 HB2 -0.28 0.05 0.15 -0.04 3.26 3.15 2bi8A1 HIS 284 HB3 -0.27 0.23 0.09 -0.04 3.20 3.20 2bi8A1 HIS 284 HD2 -0.52 0.17 -0.14 -0.04 6.97 6.44 2bi8A1 HIS 284 HE1 -0.26 0.22 -0.04 -0.04 7.75 7.62 2bi8A1 LYS 285 H -0.10 0.10 -0.12 -0.55 8.42 7.74 2bi8A1 LYS 285 HA -0.18 0.06 0.38 -0.75 4.32 3.83 2bi8A1 LYS 285 HB2 -0.07 0.08 0.07 -0.04 1.87 1.91 2bi8A1 LYS 285 HB3 -0.14 -0.06 0.12 -0.04 1.79 1.66 2bi8A1 LYS 285 HG2 -0.10 -0.12 -0.07 -0.04 1.46 1.13 2bi8A1 LYS 285 HG3 -0.45 0.05 -0.26 -0.04 1.46 0.76 2bi8A1 LYS 285 HD2 -0.10 -0.01 -0.01 -0.04 1.69 1.53 2bi8A1 LYS 285 HD3 -0.04 0.06 -0.01 -0.04 1.68 1.66 2bi8A1 LYS 285 HE2 0.03 -0.18 -0.07 -0.04 2.99 2.73 2bi8A1 LYS 285 HE3 -0.12 -0.05 -0.10 -0.04 2.99 2.67 2bi8A1 TYR 286 H -0.09 0.43 -0.30 -0.55 8.29 7.78 2bi8A1 TYR 286 HA -0.11 0.13 0.43 -0.75 4.56 4.26 2bi8A1 TYR 286 HB2 -0.31 0.23 -0.03 -0.04 3.06 2.90 2bi8A1 TYR 286 HB3 -0.17 -0.11 0.01 -0.04 2.98 2.67 2bi8A1 TYR 286 HD2 -0.06 0.03 -0.08 -0.04 7.15 7.00 2bi8A1 TYR 286 HE2 -0.01 -0.03 -0.09 -0.04 6.85 6.68 2bi8A1 PHE 287 H -0.18 0.62 -0.24 -0.55 8.34 7.98 2bi8A1 PHE 287 HA -0.31 0.07 0.68 -0.75 4.62 4.31 2bi8A1 PHE 287 HB2 -0.22 0.18 0.12 -0.04 3.15 3.18 2bi8A1 PHE 287 HB3 -0.02 -0.04 0.11 -0.04 3.06 3.07 2bi8A1 PHE 287 HD2 -0.33 0.05 0.02 -0.04 7.28 6.98 2bi8A1 PHE 287 HE2 0.05 -0.03 -0.08 -0.04 7.38 7.28 2bi8A1 PHE 287 HZ 0.09 0.01 -0.12 -0.04 7.32 7.26 2bi8A1 SER 288 H -0.26 0.37 -0.37 -0.55 8.46 7.65 2bi8A1 SER 288 HA -1.72 0.18 0.86 -0.75 4.49 3.05 2bi8A1 SER 288 HB2 -0.41 0.03 0.19 -0.04 3.95 3.72 2bi8A1 SER 288 HB3 -1.02 -0.07 0.22 -0.04 3.93 3.02 2bi8A1 PRO 289 HA -0.16 0.14 0.27 -0.51 4.44 4.18 2bi8A1 PRO 289 HB2 0.23 0.01 -0.02 -0.04 2.28 2.46 2bi8A1 PRO 289 HB3 0.11 0.00 0.11 -0.04 2.02 2.20 2bi8A1 PRO 289 HG2 0.44 0.02 0.04 -0.04 2.03 2.49 2bi8A1 PRO 289 HG3 0.28 0.13 0.05 -0.04 2.03 2.45 2bi8A1 PRO 289 HD2 0.31 0.09 0.01 -0.04 3.68 4.05 2bi8A1 PRO 289 HD3 0.01 0.15 -0.58 -0.04 3.65 3.18 2bi8A1 TRP 290 H -0.26 0.05 -0.46 -0.55 7.97 6.75 2bi8A1 TRP 290 HA 0.02 0.10 0.57 -0.75 4.62 4.56 2bi8A1 TRP 290 HB2 0.02 -0.02 0.12 -0.04 3.23 3.31 2bi8A1 TRP 290 HB3 0.05 -0.01 0.05 -0.04 3.23 3.28 2bi8A1 TRP 290 HD1 0.01 -0.03 -0.16 -0.04 7.22 7.00 2bi8A1 TRP 290 HE1 0.01 0.13 0.06 -0.04 10.20 10.36 2bi8A1 TRP 290 HE3 0.11 -0.00 -0.02 -0.04 7.59 7.64 2bi8A1 TRP 290 HZ2 0.01 0.14 0.04 -0.04 7.44 7.58 2bi8A1 TRP 290 HZ3 0.16 0.05 -0.02 -0.04 7.13 7.27 2bi8A1 TRP 290 HH2 0.03 -0.01 -0.06 -0.04 7.19 7.10 2bi8A1 GLU 291 H -0.56 0.66 -0.12 -0.55 8.60 8.03 2bi8A1 GLU 291 HA -0.16 0.10 0.88 -0.75 4.29 4.35 2bi8A1 GLU 291 HB2 -0.28 0.09 0.12 -0.04 2.09 1.98 2bi8A1 GLU 291 HB3 -0.35 -0.00 0.03 -0.04 1.99 1.63 2bi8A1 GLU 291 HG2 -0.02 0.02 0.00 -0.04 2.34 2.30 2bi8A1 GLU 291 HG3 -0.60 -0.07 -0.10 -0.04 2.34 1.53 2bi8A1 GLN 292 H -0.31 0.15 0.13 -0.55 8.47 7.90 2bi8A1 GLN 292 HA -0.24 0.20 0.84 -0.75 4.36 4.41 2bi8A1 GLN 292 HB2 -0.16 -0.04 0.11 -0.04 2.15 2.02 2bi8A1 GLN 292 HB3 -0.13 -0.01 -0.05 -0.04 2.02 1.79 2bi8A1 GLN 292 HG2 -0.07 -0.02 -0.02 -0.04 2.40 2.24 2bi8A1 GLN 292 HG3 -0.11 0.14 -0.12 -0.04 2.39 2.26 2bi8A1 GLN 292 HE21 -0.02 0.01 -0.08 -0.04 6.97 6.85 2bi8A1 GLN 292 HE22 -0.06 0.07 -0.43 -0.04 7.69 7.23 2bi8A1 HIS 293 H -0.13 0.25 0.06 -0.55 8.41 8.04 2bi8A1 HIS 293 HA -0.07 0.11 0.90 -0.75 4.63 4.82 2bi8A1 HIS 293 HB2 -0.12 -0.04 0.06 -0.04 3.26 3.12 2bi8A1 HIS 293 HB3 -0.08 0.10 0.05 -0.04 3.20 3.22 2bi8A1 HIS 293 HD2 -0.20 0.05 -0.16 -0.04 6.97 6.61 2bi8A1 HIS 293 HE1 -0.08 0.05 -0.01 -0.04 7.75 7.67 2bi8A1 ASP 294 H 0.03 0.14 0.17 -0.55 8.40 8.18 2bi8A1 ASP 294 HA -0.00 0.08 0.47 -0.75 4.63 4.42 2bi8A1 ASP 294 HB2 0.00 -0.04 0.19 -0.04 2.71 2.82 2bi8A1 ASP 294 HB3 -0.01 -0.01 0.02 -0.04 2.70 2.66 2bi8A1 GLY 295 H 0.01 0.04 0.10 -0.55 8.43 8.04 2bi8A1 GLY 295 HA2 -0.00 0.20 0.83 -0.51 4.01 4.52 2bi8A1 GLY 295 HA3 -0.01 -0.06 0.29 -0.51 4.01 3.73 2bi8A1 SER 296 H 0.02 0.51 0.32 -0.55 8.46 8.76 2bi8A1 SER 296 HA -0.06 0.07 0.93 -0.75 4.49 4.68 2bi8A1 SER 296 HB2 0.05 0.26 -0.11 -0.04 3.95 4.11 2bi8A1 SER 296 HB3 0.13 0.03 0.14 -0.04 3.93 4.19 2bi8A1 VAL 297 H -0.13 0.12 0.15 -0.55 8.24 7.83 2bi8A1 VAL 297 HA -0.17 0.30 1.05 -0.75 4.13 4.55 2bi8A1 VAL 297 HB -0.20 -0.06 0.13 -0.04 2.12 1.95 2bi8A1 VAL 297 HG13 -0.19 0.02 -0.10 -0.04 0.97 0.66 2bi8A1 VAL 297 HG23 -0.12 -0.01 -0.04 -0.04 0.95 0.74 2bi8A1 CYS 298 H -0.51 0.73 0.47 -0.55 8.50 8.64 2bi8A1 CYS 298 HA -0.31 0.24 1.13 -0.75 4.58 4.88 2bi8A1 CYS 298 HB2 -2.10 0.00 0.02 -0.04 2.97 0.85 2bi8A1 CYS 298 HB3 -0.61 0.04 -0.04 -0.04 2.97 2.32 2bi8A1 TYR 299 H -0.10 0.52 0.36 -0.55 8.29 8.53 2bi8A1 TYR 299 HA 0.05 0.36 0.98 -0.75 4.56 5.19 2bi8A1 TYR 299 HB2 0.05 -0.08 0.17 -0.04 3.06 3.16 2bi8A1 TYR 299 HB3 0.26 0.06 -0.16 -0.04 2.98 3.10 2bi8A1 TYR 299 HD2 -0.12 0.07 -0.13 -0.04 7.15 6.93 2bi8A1 TYR 299 HE2 -0.22 0.03 -0.08 -0.04 6.85 6.53 2bi8A1 LYS 300 H 0.34 0.51 0.25 -0.55 8.42 8.96 2bi8A1 LYS 300 HA -0.06 0.17 0.98 -0.75 4.32 4.65 2bi8A1 LYS 300 HB2 0.10 -0.01 0.19 -0.04 1.87 2.11 2bi8A1 LYS 300 HB3 -0.40 0.01 0.02 -0.04 1.79 1.38 2bi8A1 LYS 300 HG2 -0.76 0.02 0.03 -0.04 1.46 0.70 2bi8A1 LYS 300 HG3 0.02 -0.02 -0.01 -0.04 1.46 1.40 2bi8A1 LYS 300 HD2 -0.20 -0.00 -0.01 -0.04 1.69 1.44 2bi8A1 LYS 300 HD3 -0.48 -0.00 -0.01 -0.04 1.68 1.14 2bi8A1 LYS 300 HE2 -0.55 0.01 -0.04 -0.04 2.99 2.37 2bi8A1 LYS 300 HE3 -0.65 -0.01 -0.06 -0.04 2.99 2.23 2bi8A1 GLU 301 H -0.06 0.44 0.34 -0.55 8.60 8.77 2bi8A1 GLU 301 HA 0.02 0.30 1.04 -0.75 4.29 4.89 2bi8A1 GLU 301 HB2 0.32 -0.02 -0.07 -0.04 2.09 2.29 2bi8A1 GLU 301 HB3 0.10 -0.02 0.21 -0.04 1.99 2.24 2bi8A1 GLU 301 HG2 -0.04 -0.02 -0.27 -0.04 2.34 1.97 2bi8A1 GLU 301 HG3 -0.14 0.04 -0.07 -0.04 2.34 2.12 2bi8A1 TYR 302 H -0.06 0.66 0.39 -0.55 8.29 8.73 2bi8A1 TYR 302 HA -0.03 0.17 1.12 -0.75 4.56 5.06 2bi8A1 TYR 302 HB2 -0.10 -0.10 0.16 -0.04 3.06 2.98 2bi8A1 TYR 302 HB3 -0.05 0.12 0.02 -0.04 2.98 3.03 2bi8A1 TYR 302 HD2 -0.01 0.17 -0.15 -0.04 7.15 7.12 2bi8A1 TYR 302 HE2 0.06 -0.03 -0.14 -0.04 6.85 6.70 2bi8A1 SER 303 H -0.02 0.23 0.25 -0.55 8.46 8.38 2bi8A1 SER 303 HA -0.08 0.26 0.97 -0.75 4.49 4.88 2bi8A1 SER 303 HB2 -0.14 -0.14 0.07 -0.04 3.95 3.70 2bi8A1 SER 303 HB3 -0.11 0.31 0.15 -0.04 3.93 4.24 2bi8A1 ARG 304 H 0.00 0.41 0.35 -0.55 8.46 8.67 2bi8A1 ARG 304 HA 0.03 0.10 0.81 -0.75 4.34 4.53 2bi8A1 ARG 304 HB2 -0.01 -0.01 -0.56 -0.04 1.90 1.29 2bi8A1 ARG 304 HB3 0.02 -0.01 -0.20 -0.04 1.80 1.56 2bi8A1 ARG 304 HG2 0.01 -0.08 0.08 -0.04 1.67 1.65 2bi8A1 ARG 304 HG3 0.00 0.09 -0.03 -0.04 1.67 1.69 2bi8A1 ARG 304 HD2 -0.02 -0.03 -0.05 -0.04 3.22 3.08 2bi8A1 ARG 304 HD3 -0.03 -0.02 -0.14 -0.04 3.22 2.98 2bi8A1 ALA 305 H 0.05 0.12 0.17 -0.55 8.40 8.20 2bi8A1 ALA 305 HA 0.12 0.15 0.68 -0.75 4.34 4.54 2bi8A1 ALA 305 HB3 0.07 0.01 0.09 -0.04 1.41 1.54 2bi8A1 CYS 306 H 0.15 0.51 0.28 -0.55 8.50 8.89 2bi8A1 CYS 306 HA 0.09 0.04 0.55 -0.75 4.58 4.50 2bi8A1 CYS 306 HB2 0.21 -0.07 -0.37 -0.04 2.97 2.70 2bi8A1 CYS 306 HB3 0.20 -0.02 0.14 -0.04 2.97 3.25 2bi8A1 GLU 307 H 0.04 0.24 0.12 -0.55 8.60 8.45 2bi8A1 GLU 307 HA 0.02 0.14 0.61 -0.75 4.29 4.31 2bi8A1 GLU 307 HB2 0.02 0.05 0.09 -0.04 2.09 2.20 2bi8A1 GLU 307 HB3 0.01 -0.14 0.10 -0.04 1.99 1.91 2bi8A1 GLU 307 HG2 0.01 -0.00 0.04 -0.04 2.34 2.35 2bi8A1 GLU 307 HG3 0.02 0.03 0.03 -0.04 2.34 2.38 2bi8A1 GLU 308 H -0.01 0.13 0.12 -0.55 8.60 8.28 2bi8A1 GLU 308 HA -0.08 0.12 0.09 -0.75 4.29 3.66 2bi8A1 GLU 308 HB2 -0.02 -0.02 0.08 -0.04 2.09 2.08 2bi8A1 GLU 308 HB3 -0.06 0.05 0.04 -0.04 1.99 1.98 2bi8A1 GLU 308 HG2 -0.09 0.04 0.04 -0.04 2.34 2.28 2bi8A1 GLU 308 HG3 -0.03 -0.07 0.13 -0.04 2.34 2.32 2bi8A1 ASN 309 H 0.00 0.00 -0.22 -0.55 8.53 7.77 2bi8A1 ASN 309 HA 0.01 0.19 0.63 -0.75 4.76 4.83 2bi8A1 ASN 309 HB2 0.01 -0.06 0.04 -0.04 2.88 2.83 2bi8A1 ASN 309 HB3 0.01 0.01 0.07 -0.04 2.79 2.84 2bi8A1 ASN 309 HD21 0.01 0.02 -0.03 -0.04 7.03 6.99 2bi8A1 ASN 309 HD22 0.00 -0.04 -0.02 -0.04 7.74 7.64 2bi8A1 ASP 310 H 0.01 0.46 -0.38 -0.55 8.40 7.94 2bi8A1 ASP 310 HA 0.04 0.07 0.41 -0.75 4.63 4.40 2bi8A1 ASP 310 HB2 0.05 0.06 -0.10 -0.04 2.71 2.68 2bi8A1 ASP 310 HB3 0.08 0.05 -0.02 -0.04 2.70 2.77 2bi8A1 ILE 311 H 0.08 0.10 0.14 -0.55 8.25 8.02 2bi8A1 ILE 311 HA -0.09 0.10 0.68 -0.75 4.18 4.11 2bi8A1 ILE 311 HB 0.09 -0.02 0.15 -0.04 1.89 2.08 2bi8A1 ILE 311 HG12 -0.01 -0.02 0.05 -0.04 1.49 1.48 2bi8A1 ILE 311 HG13 0.07 -0.00 0.10 -0.04 1.21 1.34 2bi8A1 ILE 311 HG23 -0.51 0.01 -0.08 -0.04 0.93 0.31 2bi8A1 ILE 311 HD13 0.28 -0.00 0.03 -0.04 0.88 1.15 2bi8A1 PRO 312 HA -0.10 0.08 0.53 -0.51 4.44 4.44 2bi8A1 PRO 312 HB2 -1.61 0.01 -0.11 -0.04 2.28 0.54 2bi8A1 PRO 312 HB3 -0.64 0.06 0.02 -0.04 2.02 1.41 2bi8A1 PRO 312 HG2 -0.37 -0.04 0.11 -0.04 2.03 1.69 2bi8A1 PRO 312 HG3 -0.29 -0.01 0.08 -0.04 2.03 1.78 2bi8A1 PRO 312 HD2 -0.21 -0.02 0.27 -0.04 3.68 3.68 2bi8A1 PRO 312 HD3 -0.13 0.34 0.25 -0.04 3.65 4.06 2bi8A1 TYR 313 H 0.30 0.32 0.16 -0.55 8.29 8.53 2bi8A1 TYR 313 HA 0.00 0.15 1.00 -0.75 4.56 4.96 2bi8A1 TYR 313 HB2 -0.10 0.21 0.20 -0.04 3.06 3.33 2bi8A1 TYR 313 HB3 -0.51 -0.01 -0.02 -0.04 2.98 2.39 2bi8A1 TYR 313 HD2 -0.01 0.06 0.05 -0.04 7.15 7.22 2bi8A1 TYR 313 HE2 0.24 0.08 0.08 -0.04 6.85 7.21 2bi8A1 TYR 314 H 0.42 0.41 0.28 -0.55 8.29 8.85 2bi8A1 TYR 314 HA 0.44 0.20 0.89 -0.75 4.56 5.33 2bi8A1 TYR 314 HB2 0.18 -0.03 0.19 -0.04 3.06 3.36 2bi8A1 TYR 314 HB3 0.46 0.09 -0.00 -0.04 2.98 3.49 2bi8A1 TYR 314 HD2 0.09 0.05 -0.02 -0.04 7.15 7.23 2bi8A1 TYR 314 HE2 0.06 -0.01 -0.06 -0.04 6.85 6.80 2bi8A1 PRO 315 HA -0.61 0.19 0.73 -0.51 4.44 4.24 2bi8A1 PRO 315 HB2 -0.85 0.05 -0.11 -0.04 2.28 1.33 2bi8A1 PRO 315 HB3 -0.85 -0.00 -0.05 -0.04 2.02 1.08 2bi8A1 PRO 315 HG2 -0.07 -0.01 -0.05 -0.04 2.03 1.87 2bi8A1 PRO 315 HG3 -0.03 0.05 -0.41 -0.04 2.03 1.59 2bi8A1 PRO 315 HD2 0.44 0.05 0.19 -0.04 3.68 4.32 2bi8A1 PRO 315 HD3 0.43 0.27 0.07 -0.04 3.65 4.37 2bi8A1 ILE 316 H 0.00 0.52 0.14 -0.55 8.25 8.36 2bi8A1 ILE 316 HA -0.09 0.16 0.44 -0.75 4.18 3.93 2bi8A1 ILE 316 HB 0.10 -0.12 0.08 -0.04 1.89 1.92 2bi8A1 ILE 316 HG12 0.25 0.11 -0.06 -0.04 1.49 1.75 2bi8A1 ILE 316 HG13 0.31 0.03 -0.20 -0.04 1.21 1.30 2bi8A1 ILE 316 HG23 -0.01 -0.05 -0.11 -0.04 0.93 0.71 2bi8A1 ILE 316 HD13 0.19 -0.03 -0.15 -0.04 0.88 0.85 2bi8A1 ARG 317 H 0.05 0.02 0.09 -0.55 8.46 8.08 2bi8A1 ARG 317 HA 0.04 -0.06 0.31 -0.75 4.34 3.89 2bi8A1 ARG 317 HB2 -0.22 0.23 -0.31 -0.04 1.90 1.56 2bi8A1 ARG 317 HB3 -0.14 0.00 0.19 -0.04 1.80 1.80 2bi8A1 ARG 317 HG2 -0.73 0.01 -0.00 -0.04 1.67 0.90 2bi8A1 ARG 317 HG3 -0.54 -0.06 -0.40 -0.04 1.67 0.62 2bi8A1 ARG 317 HD2 -0.29 -0.09 0.04 -0.04 3.22 2.84 2bi8A1 ARG 317 HD3 -0.18 -0.03 0.00 -0.04 3.22 2.97 2bi8A1 GLN 318 H -0.02 -0.05 -0.16 -0.55 8.47 7.69 2bi8A1 GLN 318 HA -0.07 0.29 0.78 -0.75 4.36 4.61 2bi8A1 GLN 318 HB2 -0.02 -0.10 0.09 -0.04 2.15 2.08 2bi8A1 GLN 318 HB3 -0.05 -0.03 0.23 -0.04 2.02 2.13 2bi8A1 GLN 318 HG2 -0.10 -0.02 -0.11 -0.04 2.40 2.13 2bi8A1 GLN 318 HG3 -0.08 0.05 0.02 -0.04 2.39 2.33 2bi8A1 GLN 318 HE21 -0.35 -0.03 -0.02 -0.04 6.97 6.54 2bi8A1 GLN 318 HE22 -0.32 0.25 -0.01 -0.04 7.69 7.57 2bi8A1 MET 319 H -0.02 0.20 0.17 -0.55 8.47 8.27 2bi8A1 MET 319 HA -0.01 0.14 0.28 -0.75 4.52 4.18 2bi8A1 MET 319 HB2 -0.01 -0.01 0.21 -0.04 2.15 2.29 2bi8A1 MET 319 HB3 -0.01 0.05 0.01 -0.04 2.03 2.04 2bi8A1 MET 319 HG2 -0.01 0.04 0.06 -0.04 2.63 2.67 2bi8A1 MET 319 HG3 -0.02 0.01 0.09 -0.04 2.56 2.61 2bi8A1 MET 319 HE3 -0.01 0.00 -0.01 -0.04 2.10 2.04 2bi8A1 GLY 320 H 0.01 0.11 -0.04 -0.55 8.43 7.96 2bi8A1 GLY 320 HA2 0.01 0.11 0.35 -0.51 4.01 3.97 2bi8A1 GLY 320 HA3 0.02 0.09 0.28 -0.51 4.01 3.88 2bi8A1 GLU 321 H 0.04 0.09 -0.32 -0.55 8.60 7.86 2bi8A1 GLU 321 HA 0.06 0.10 0.62 -0.75 4.29 4.31 2bi8A1 GLU 321 HB2 0.11 0.10 0.14 -0.04 2.09 2.39 2bi8A1 GLU 321 HB3 0.28 0.07 0.07 -0.04 1.99 2.37 2bi8A1 GLU 321 HG2 0.18 -0.10 0.19 -0.04 2.34 2.57 2bi8A1 GLU 321 HG3 0.11 -0.01 0.16 -0.04 2.34 2.57 2bi8A1 MET 322 H 0.06 0.57 -0.05 -0.55 8.47 8.51 2bi8A1 MET 322 HA 0.09 0.02 0.43 -0.75 4.52 4.30 2bi8A1 MET 322 HB2 0.01 0.09 0.08 -0.04 2.15 2.29 2bi8A1 MET 322 HB3 0.01 -0.00 0.03 -0.04 2.03 2.03 2bi8A1 MET 322 HG2 0.02 0.19 -0.14 -0.04 2.63 2.66 2bi8A1 MET 322 HG3 -0.00 0.03 -0.01 -0.04 2.56 2.54 2bi8A1 MET 322 HE3 0.02 0.05 0.07 -0.04 2.10 2.20 2bi8A1 ALA 323 H 0.01 0.49 -0.19 -0.55 8.40 8.16 2bi8A1 ALA 323 HA -0.03 0.04 0.50 -0.75 4.34 4.10 2bi8A1 ALA 323 HB3 -0.02 0.03 0.07 -0.04 1.41 1.45 2bi8A1 LEU 324 H 0.01 0.39 -0.21 -0.55 8.37 8.01 2bi8A1 LEU 324 HA -0.08 0.06 0.45 -0.75 4.35 4.02 2bi8A1 LEU 324 HB2 0.02 0.03 0.10 -0.04 1.64 1.75 2bi8A1 LEU 324 HB3 0.05 0.05 0.17 -0.04 1.64 1.86 2bi8A1 LEU 324 HG 0.25 -0.08 -0.29 -0.04 1.64 1.48 2bi8A1 LEU 324 HD13 0.04 -0.02 -0.14 -0.04 0.93 0.76 2bi8A1 LEU 324 HD23 0.14 -0.03 -0.41 -0.04 0.89 0.54 2bi8A1 LEU 325 H 0.03 0.59 -0.07 -0.55 8.37 8.38 2bi8A1 LEU 325 HA 0.16 -0.03 0.52 -0.75 4.35 4.25 2bi8A1 LEU 325 HB2 0.04 -0.02 0.05 -0.04 1.64 1.67 2bi8A1 LEU 325 HB3 0.06 0.13 0.16 -0.04 1.64 1.95 2bi8A1 LEU 325 HG 0.03 -0.06 -0.29 -0.04 1.64 1.28 2bi8A1 LEU 325 HD13 0.05 -0.03 -0.04 -0.04 0.93 0.87 2bi8A1 LEU 325 HD23 0.13 0.02 -0.07 -0.04 0.89 0.94 2bi8A1 GLU 326 H -0.02 0.60 -0.16 -0.55 8.60 8.48 2bi8A1 GLU 326 HA -0.04 -0.05 0.31 -0.75 4.29 3.76 2bi8A1 GLU 326 HB2 -0.04 0.16 0.17 -0.04 2.09 2.34 2bi8A1 GLU 326 HB3 -0.08 0.12 0.04 -0.04 1.99 2.03 2bi8A1 GLU 326 HG2 -0.05 -0.00 0.01 -0.04 2.34 2.26 2bi8A1 GLU 326 HG3 -0.06 -0.02 -0.00 -0.04 2.34 2.22 2bi8A1 LYS 327 H -0.19 0.29 -0.55 -0.55 8.42 7.41 2bi8A1 LYS 327 HA -0.36 0.06 0.52 -0.75 4.32 3.79 2bi8A1 LYS 327 HB2 -0.67 0.21 0.13 -0.04 1.87 1.49 2bi8A1 LYS 327 HB3 -1.75 -0.04 -0.01 -0.04 1.79 -0.05 2bi8A1 LYS 327 HG2 -0.44 -0.03 0.01 -0.04 1.46 0.95 2bi8A1 LYS 327 HG3 -0.35 0.11 0.05 -0.04 1.46 1.23 2bi8A1 LYS 327 HD2 -0.91 0.01 0.03 -0.04 1.69 0.78 2bi8A1 LYS 327 HD3 -0.94 -0.02 0.01 -0.04 1.68 0.69 2bi8A1 LYS 327 HE2 -0.19 -0.01 0.01 -0.04 2.99 2.77 2bi8A1 LYS 327 HE3 -0.23 -0.02 -0.01 -0.04 2.99 2.69 2bi8A1 TYR 328 H -0.10 0.35 -0.03 -0.55 8.29 7.95 2bi8A1 TYR 328 HA -0.09 0.04 0.54 -0.75 4.56 4.30 2bi8A1 TYR 328 HB2 -0.01 0.12 0.18 -0.04 3.06 3.30 2bi8A1 TYR 328 HB3 -0.00 -0.02 -0.04 -0.04 2.98 2.87 2bi8A1 TYR 328 HD2 0.01 0.06 0.03 -0.04 7.15 7.21 2bi8A1 TYR 328 HE2 0.11 0.03 -0.02 -0.04 6.85 6.93 2bi8A1 LEU 329 H 0.07 0.71 0.02 -0.55 8.37 8.62 2bi8A1 LEU 329 HA 0.11 -0.00 0.39 -0.75 4.35 4.10 2bi8A1 LEU 329 HB2 -0.02 0.06 0.03 -0.04 1.64 1.68 2bi8A1 LEU 329 HB3 -0.02 -0.01 -0.06 -0.04 1.64 1.51 2bi8A1 LEU 329 HG -0.03 0.03 -0.08 -0.04 1.64 1.52 2bi8A1 LEU 329 HD13 -0.08 -0.01 -0.16 -0.04 0.93 0.64 2bi8A1 LEU 329 HD23 -0.32 -0.01 -0.01 -0.04 0.89 0.51 2bi8A1 SER 330 H -0.04 0.42 -0.42 -0.55 8.46 7.87 2bi8A1 SER 330 HA 0.02 0.08 0.69 -0.75 4.49 4.53 2bi8A1 SER 330 HB2 -0.01 -0.04 0.10 -0.04 3.95 3.96 2bi8A1 SER 330 HB3 -0.03 0.01 0.07 -0.04 3.93 3.94 2bi8A1 LEU 331 H -0.06 0.33 -0.19 -0.55 8.37 7.91 2bi8A1 LEU 331 HA -0.02 0.09 0.72 -0.75 4.35 4.37 2bi8A1 LEU 331 HB2 -0.38 0.13 0.27 -0.04 1.64 1.61 2bi8A1 LEU 331 HB3 -0.51 -0.05 -0.03 -0.04 1.64 1.01 2bi8A1 LEU 331 HG 0.05 0.10 0.06 -0.04 1.64 1.80 2bi8A1 LEU 331 HD13 -0.41 -0.03 0.01 -0.04 0.93 0.46 2bi8A1 LEU 331 HD23 -0.01 -0.01 0.03 -0.04 0.89 0.86 2bi8A1 ALA 332 H 0.00 0.69 0.05 -0.55 8.40 8.59 2bi8A1 ALA 332 HA 0.30 0.01 0.34 -0.75 4.34 4.24 2bi8A1 ALA 332 HB3 0.15 -0.01 0.06 -0.04 1.41 1.57 2bi8A1 GLU 333 H 0.14 0.54 -0.09 -0.55 8.60 8.66 2bi8A1 GLU 333 HA 0.15 0.02 0.44 -0.75 4.29 4.15 2bi8A1 GLU 333 HB2 0.10 0.07 0.13 -0.04 2.09 2.35 2bi8A1 GLU 333 HB3 0.10 -0.03 0.13 -0.04 1.99 2.15 2bi8A1 GLU 333 HG2 0.29 -0.07 0.07 -0.04 2.34 2.59 2bi8A1 GLU 333 HG3 0.31 0.06 0.10 -0.04 2.34 2.77 2bi8A1 ASN 334 H 0.09 0.24 -0.79 -0.55 8.53 7.52 2bi8A1 ASN 334 HA 0.05 0.10 0.78 -0.75 4.76 4.94 2bi8A1 ASN 334 HB2 0.06 0.25 0.10 -0.04 2.88 3.24 2bi8A1 ASN 334 HB3 0.06 -0.10 0.06 -0.04 2.79 2.77 2bi8A1 ASN 334 HD21 0.03 -0.06 0.04 -0.04 7.03 6.99 2bi8A1 ASN 334 HD22 0.04 -0.03 0.07 -0.04 7.74 7.78 2bi8A1 GLU 335 H 0.09 0.60 -0.11 -0.55 8.60 8.64 2bi8A1 GLU 335 HA 0.06 0.02 0.54 -0.75 4.29 4.16 2bi8A1 GLU 335 HB2 0.15 0.16 0.21 -0.04 2.09 2.57 2bi8A1 GLU 335 HB3 -0.03 -0.03 -0.01 -0.04 1.99 1.88 2bi8A1 GLU 335 HG2 0.00 -0.06 -0.01 -0.04 2.34 2.23 2bi8A1 GLU 335 HG3 0.06 -0.09 0.10 -0.04 2.34 2.37 2bi8A1 THR 336 H -0.01 -0.01 0.18 -0.55 8.28 7.90 2bi8A1 THR 336 HA 0.00 0.31 0.81 -0.75 4.39 4.76 2bi8A1 THR 336 HB 0.00 -0.07 0.12 -0.04 4.32 4.34 2bi8A1 THR 336 HG23 0.01 0.01 -0.08 -0.04 1.22 1.12 2bi8A1 ASN 337 H -0.11 -0.01 0.06 -0.55 8.53 7.91 2bi8A1 ASN 337 HA -0.06 0.37 1.12 -0.75 4.76 5.43 2bi8A1 ASN 337 HB2 -0.08 -0.09 0.10 -0.04 2.88 2.77 2bi8A1 ASN 337 HB3 -0.10 0.07 0.21 -0.04 2.79 2.93 2bi8A1 ASN 337 HD21 0.02 -0.01 -0.04 -0.04 7.03 6.96 2bi8A1 ASN 337 HD22 -0.00 -0.07 -0.04 -0.04 7.74 7.58 2bi8A1 ILE 338 H -0.34 0.40 -0.15 -0.55 8.25 7.61 2bi8A1 ILE 338 HA -0.98 0.22 0.99 -0.75 4.18 3.65 2bi8A1 ILE 338 HB -0.46 -0.03 -0.23 -0.04 1.89 1.13 2bi8A1 ILE 338 HG12 -1.32 -0.02 -0.20 -0.04 1.49 -0.09 2bi8A1 ILE 338 HG13 -0.72 0.08 0.02 -0.04 1.21 0.56 2bi8A1 ILE 338 HG23 -0.46 -0.02 -0.13 -0.04 0.93 0.27 2bi8A1 ILE 338 HD13 -0.84 -0.03 -0.08 -0.04 0.88 -0.11 2bi8A1 THR 339 H -0.66 0.61 0.36 -0.55 8.28 8.03 2bi8A1 THR 339 HA -0.34 0.28 0.84 -0.75 4.39 4.41 2bi8A1 THR 339 HB 0.04 -0.16 0.08 -0.04 4.32 4.24 2bi8A1 THR 339 HG23 0.07 -0.02 -0.28 -0.04 1.22 0.95 2bi8A1 PHE 340 H -0.36 0.49 0.25 -0.55 8.34 8.17 2bi8A1 PHE 340 HA -0.05 0.12 0.95 -0.75 4.62 4.88 2bi8A1 PHE 340 HB2 -0.36 0.02 0.21 -0.04 3.15 2.97 2bi8A1 PHE 340 HB3 0.04 0.12 0.17 -0.04 3.06 3.35 2bi8A1 PHE 340 HD2 -0.37 0.05 0.04 -0.04 7.28 6.96 2bi8A1 PHE 340 HE2 -1.04 -0.00 -0.02 -0.04 7.38 6.28 2bi8A1 PHE 340 HZ -1.68 0.00 -0.05 -0.04 7.32 5.56 2bi8A1 VAL 341 H 0.14 0.59 0.30 -0.55 8.24 8.72 2bi8A1 VAL 341 HA 0.17 0.18 0.75 -0.75 4.13 4.48 2bi8A1 VAL 341 HB 0.06 -0.11 -0.00 -0.04 2.12 2.03 2bi8A1 VAL 341 HG13 0.11 0.05 -0.31 -0.04 0.97 0.78 2bi8A1 VAL 341 HG23 0.03 -0.02 -0.33 -0.04 0.95 0.58 2bi8A1 GLY 342 H 0.09 0.16 0.04 -0.55 8.43 8.17 2bi8A1 GLY 342 HA2 0.04 0.01 0.32 -0.51 4.01 3.87 2bi8A1 GLY 342 HA3 0.04 0.05 0.31 -0.51 4.01 3.90 2bi8A1 ARG 343 H 0.02 0.08 0.18 -0.55 8.46 8.19 2bi8A1 ARG 343 HA 0.06 0.15 0.37 -0.75 4.34 4.17 2bi8A1 ARG 343 HB2 0.06 0.23 0.21 -0.04 1.90 2.36 2bi8A1 ARG 343 HB3 -0.04 -0.08 0.22 -0.04 1.80 1.86 2bi8A1 ARG 343 HG2 -0.01 -0.19 0.20 -0.04 1.67 1.64 2bi8A1 ARG 343 HG3 0.02 0.07 0.04 -0.04 1.67 1.76 2bi8A1 ARG 343 HD2 -0.06 0.02 0.13 -0.04 3.22 3.28 2bi8A1 ARG 343 HD3 -0.03 -0.13 0.11 -0.04 3.22 3.12 2bi8A1 LEU 344 H 0.06 0.06 -0.16 -0.55 8.37 7.78 2bi8A1 LEU 344 HA 0.22 0.19 0.72 -0.75 4.35 4.73 2bi8A1 LEU 344 HB2 0.01 0.24 -0.16 -0.04 1.64 1.68 2bi8A1 LEU 344 HB3 0.05 -0.11 -0.12 -0.04 1.64 1.42 2bi8A1 LEU 344 HG -0.02 -0.12 0.03 -0.04 1.64 1.49 2bi8A1 LEU 344 HD13 -0.11 0.03 0.10 -0.04 0.93 0.91 2bi8A1 LEU 344 HD23 -0.07 0.05 -0.06 -0.04 0.89 0.77 2bi8A1 GLY 345 H 0.11 0.15 -0.13 -0.55 8.43 8.02 2bi8A1 GLY 345 HA2 0.21 0.10 0.43 -0.51 4.01 4.24 2bi8A1 GLY 345 HA3 0.24 0.21 0.31 -0.51 4.01 4.26 2bi8A1 THR 346 H 0.18 -0.02 -0.77 -0.55 8.28 7.12 2bi8A1 THR 346 HA 0.21 0.20 0.75 -0.75 4.39 4.79 2bi8A1 THR 346 HB 0.11 0.00 -0.07 -0.04 4.32 4.32 2bi8A1 THR 346 HG23 0.34 -0.04 -0.39 -0.04 1.22 1.09 2bi8A1 TYR 347 H 0.25 0.01 -0.20 -0.55 8.29 7.80 2bi8A1 TYR 347 HA 0.16 0.05 0.39 -0.75 4.56 4.40 2bi8A1 TYR 347 HB2 0.07 -0.09 -0.16 -0.04 3.06 2.84 2bi8A1 TYR 347 HB3 0.03 0.22 -0.11 -0.04 2.98 3.07 2bi8A1 TYR 347 HD2 0.04 0.06 0.02 -0.04 7.15 7.23 2bi8A1 TYR 347 HE2 -0.36 0.03 -0.07 -0.04 6.85 6.42 2bi8A1 ARG 348 H 0.11 0.26 0.03 -0.55 8.46 8.30 2bi8A1 ARG 348 HA -0.08 0.19 0.81 -0.75 4.34 4.50 2bi8A1 ARG 348 HB2 0.05 -0.14 -0.20 -0.04 1.90 1.58 2bi8A1 ARG 348 HB3 0.04 0.04 -0.06 -0.04 1.80 1.78 2bi8A1 ARG 348 HG2 -0.01 0.07 -0.05 -0.04 1.67 1.63 2bi8A1 ARG 348 HG3 0.03 0.22 -0.46 -0.04 1.67 1.42 2bi8A1 ARG 348 HD2 0.02 -0.05 -0.07 -0.04 3.22 3.08 2bi8A1 ARG 348 HD3 0.01 0.12 -0.04 -0.04 3.22 3.27 2bi8A1 TYR 349 H 0.15 0.20 0.14 -0.55 8.29 8.23 2bi8A1 TYR 349 HA 0.15 0.15 0.95 -0.75 4.56 5.05 2bi8A1 TYR 349 HB2 0.21 0.09 0.15 -0.04 3.06 3.46 2bi8A1 TYR 349 HB3 0.11 -0.00 0.16 -0.04 2.98 3.21 2bi8A1 TYR 349 HD2 0.28 0.03 -0.15 -0.04 7.15 7.26 2bi8A1 TYR 349 HE2 0.25 -0.04 -0.11 -0.04 6.85 6.91 2bi8A1 LEU 350 H -0.43 0.25 0.15 -0.55 8.37 7.80 2bi8A1 LEU 350 HA -0.02 0.16 0.85 -0.75 4.35 4.59 2bi8A1 LEU 350 HB2 -0.09 -0.10 0.02 -0.04 1.64 1.43 2bi8A1 LEU 350 HB3 -0.05 -0.03 -0.06 -0.04 1.64 1.46 2bi8A1 LEU 350 HG 0.01 0.03 -0.63 -0.04 1.64 1.01 2bi8A1 LEU 350 HD13 0.02 -0.02 -0.26 -0.04 0.93 0.63 2bi8A1 LEU 350 HD23 0.03 0.05 -0.11 -0.04 0.89 0.82 2bi8A1 ASP 351 H 0.01 0.14 0.12 -0.55 8.40 8.12 2bi8A1 ASP 351 HA -0.11 0.24 0.71 -0.75 4.63 4.73 2bi8A1 ASP 351 HB2 -0.01 -0.06 0.16 -0.04 2.71 2.77 2bi8A1 ASP 351 HB3 -0.19 -0.08 0.20 -0.04 2.70 2.59 2bi8A1 MET 352 H -0.20 0.28 0.19 -0.55 8.47 8.19 2bi8A1 MET 352 HA -0.14 0.06 0.42 -0.75 4.52 4.10 2bi8A1 MET 352 HB2 -0.20 0.01 0.15 -0.04 2.15 2.07 2bi8A1 MET 352 HB3 -0.20 0.04 -0.01 -0.04 2.03 1.83 2bi8A1 MET 352 HG2 0.12 -0.04 0.06 -0.04 2.63 2.72 2bi8A1 MET 352 HG3 0.01 0.05 0.09 -0.04 2.56 2.67 2bi8A1 MET 352 HE3 0.04 -0.02 -0.22 -0.04 2.10 1.86 2bi8A1 ASP 353 H -0.43 0.17 -0.04 -0.55 8.40 7.55 2bi8A1 ASP 353 HA -0.01 0.12 0.34 -0.75 4.63 4.32 2bi8A1 ASP 353 HB2 -0.08 -0.04 0.04 -0.04 2.71 2.59 2bi8A1 ASP 353 HB3 -0.81 0.07 0.03 -0.04 2.70 1.95 2bi8A1 VAL 354 H -0.11 0.06 -0.28 -0.55 8.24 7.36 2bi8A1 VAL 354 HA -0.01 0.08 0.51 -0.75 4.13 3.95 2bi8A1 VAL 354 HB -0.02 0.01 0.10 -0.04 2.12 2.16 2bi8A1 VAL 354 HG13 0.02 0.03 -0.04 -0.04 0.97 0.94 2bi8A1 VAL 354 HG23 0.02 0.01 0.05 -0.04 0.95 0.99 2bi8A1 THR 355 H -0.08 0.59 -0.19 -0.55 8.28 8.05 2bi8A1 THR 355 HA -0.02 0.03 0.48 -0.75 4.39 4.12 2bi8A1 THR 355 HB -0.06 0.16 0.16 -0.04 4.32 4.54 2bi8A1 THR 355 HG23 0.06 -0.04 -0.13 -0.04 1.22 1.07 2bi8A1 ILE 356 H -0.12 0.55 -0.10 -0.55 8.25 8.04 2bi8A1 ILE 356 HA -0.09 0.04 0.26 -0.75 4.18 3.64 2bi8A1 ILE 356 HB -0.08 0.03 0.11 -0.04 1.89 1.91 2bi8A1 ILE 356 HG12 -0.06 0.03 -0.04 -0.04 1.49 1.38 2bi8A1 ILE 356 HG13 -0.33 -0.02 0.04 -0.04 1.21 0.87 2bi8A1 ILE 356 HG23 -0.30 0.02 -0.14 -0.04 0.93 0.47 2bi8A1 ILE 356 HD13 -0.38 -0.02 -0.12 -0.04 0.88 0.33 2bi8A1 ALA 357 H -0.05 0.49 -0.19 -0.55 8.40 8.09 2bi8A1 ALA 357 HA -0.05 0.01 0.42 -0.75 4.34 3.97 2bi8A1 ALA 357 HB3 -0.00 0.02 0.12 -0.04 1.41 1.51 2bi8A1 GLU 358 H -0.02 0.59 -0.11 -0.55 8.60 8.52 2bi8A1 GLU 358 HA 0.01 0.05 0.38 -0.75 4.29 3.98 2bi8A1 GLU 358 HB2 0.01 0.06 0.12 -0.04 2.09 2.24 2bi8A1 GLU 358 HB3 0.03 -0.04 0.01 -0.04 1.99 1.95 2bi8A1 GLU 358 HG2 0.03 0.01 0.00 -0.04 2.34 2.34 2bi8A1 GLU 358 HG3 0.01 0.09 0.07 -0.04 2.34 2.47 2bi8A1 ALA 359 H -0.05 0.39 -0.42 -0.55 8.40 7.77 2bi8A1 ALA 359 HA -0.07 0.02 0.37 -0.75 4.34 3.91 2bi8A1 ALA 359 HB3 -0.07 -0.01 0.01 -0.04 1.41 1.30 2bi8A1 LEU 360 H -0.10 0.57 -0.10 -0.55 8.37 8.20 2bi8A1 LEU 360 HA -0.10 0.09 0.42 -0.75 4.35 4.01 2bi8A1 LEU 360 HB2 -0.09 0.09 0.15 -0.04 1.64 1.74 2bi8A1 LEU 360 HB3 -0.07 -0.02 -0.03 -0.04 1.64 1.48 2bi8A1 LEU 360 HG -0.32 0.10 -0.01 -0.04 1.64 1.37 2bi8A1 LEU 360 HD13 -0.25 -0.04 -0.12 -0.04 0.93 0.49 2bi8A1 LEU 360 HD23 -0.26 0.01 -0.04 -0.04 0.89 0.56 2bi8A1 LYS 361 H -0.03 0.43 -0.17 -0.55 8.42 8.10 2bi8A1 LYS 361 HA 0.00 0.04 0.40 -0.75 4.32 4.00 2bi8A1 LYS 361 HB2 0.00 0.02 0.09 -0.04 1.87 1.94 2bi8A1 LYS 361 HB3 0.01 0.07 0.11 -0.04 1.79 1.93 2bi8A1 LYS 361 HG2 0.02 -0.03 0.01 -0.04 1.46 1.42 2bi8A1 LYS 361 HG3 0.02 -0.04 0.01 -0.04 1.46 1.41 2bi8A1 LYS 361 HD2 0.03 -0.06 -0.02 -0.04 1.69 1.61 2bi8A1 LYS 361 HD3 0.04 0.03 -0.11 -0.04 1.68 1.59 2bi8A1 LYS 361 HE2 0.05 0.19 0.04 -0.04 2.99 3.23 2bi8A1 LYS 361 HE3 0.04 -0.03 -0.02 -0.04 2.99 2.93 2bi8A1 THR 362 H -0.02 0.58 -0.15 -0.55 8.28 8.15 2bi8A1 THR 362 HA 0.05 0.03 0.32 -0.75 4.39 4.03 2bi8A1 THR 362 HB -0.09 0.07 0.11 -0.04 4.32 4.37 2bi8A1 THR 362 HG23 0.01 -0.00 -0.19 -0.04 1.22 0.99 2bi8A1 ALA 363 H -0.09 0.42 -0.31 -0.55 8.40 7.87 2bi8A1 ALA 363 HA -0.08 0.04 0.40 -0.75 4.34 3.95 2bi8A1 ALA 363 HB3 -0.09 0.02 0.08 -0.04 1.41 1.37 2bi8A1 GLU 364 H -0.00 0.43 -0.23 -0.55 8.60 8.25 2bi8A1 GLU 364 HA 0.02 0.01 0.39 -0.75 4.29 3.95 2bi8A1 GLU 364 HB2 0.01 0.06 0.13 -0.04 2.09 2.25 2bi8A1 GLU 364 HB3 0.01 0.11 0.21 -0.04 1.99 2.28 2bi8A1 GLU 364 HG2 0.02 -0.01 -0.12 -0.04 2.34 2.19 2bi8A1 GLU 364 HG3 0.02 -0.02 0.02 -0.04 2.34 2.31 2bi8A1 VAL 365 H 0.04 0.72 -0.07 -0.55 8.24 8.37 2bi8A1 VAL 365 HA 0.03 -0.01 0.46 -0.75 4.13 3.85 2bi8A1 VAL 365 HB 0.07 0.10 0.13 -0.04 2.12 2.39 2bi8A1 VAL 365 HG13 0.07 -0.00 -0.14 -0.04 0.97 0.86 2bi8A1 VAL 365 HG23 0.04 -0.00 0.01 -0.04 0.95 0.96 2bi8A1 TYR 366 H 0.16 0.52 -0.16 -0.55 8.29 8.26 2bi8A1 TYR 366 HA -0.03 0.05 0.36 -0.75 4.56 4.19 2bi8A1 TYR 366 HB2 0.16 0.00 0.03 -0.04 3.06 3.21 2bi8A1 TYR 366 HB3 0.03 0.03 0.10 -0.04 2.98 3.11 2bi8A1 TYR 366 HD2 -0.17 0.00 -0.11 -0.04 7.15 6.84 2bi8A1 TYR 366 HE2 -0.32 0.02 -0.12 -0.04 6.85 6.38 2bi8A1 LEU 367 H 0.06 0.68 -0.08 -0.55 8.37 8.49 2bi8A1 LEU 367 HA -0.15 0.04 0.43 -0.75 4.35 3.91 2bi8A1 LEU 367 HB2 0.02 0.05 0.17 -0.04 1.64 1.84 2bi8A1 LEU 367 HB3 0.02 -0.05 0.02 -0.04 1.64 1.59 2bi8A1 LEU 367 HG 0.11 0.04 0.03 -0.04 1.64 1.78 2bi8A1 LEU 367 HD13 0.06 -0.01 -0.15 -0.04 0.93 0.78 2bi8A1 LEU 367 HD23 0.18 -0.00 0.01 -0.04 0.89 1.03 2bi8A1 ASN 368 H -0.02 0.64 -0.07 -0.55 8.53 8.54 2bi8A1 ASN 368 HA -0.02 -0.06 0.42 -0.75 4.76 4.34 2bi8A1 ASN 368 HB2 -0.00 -0.01 0.13 -0.04 2.88 2.96 2bi8A1 ASN 368 HB3 -0.01 0.15 0.14 -0.04 2.79 3.04 2bi8A1 ASN 368 HD21 -0.00 -0.04 -0.13 -0.04 7.03 6.82 2bi8A1 ASN 368 HD22 -0.01 0.13 -0.33 -0.04 7.74 7.48 2bi8A1 SER 369 H -0.08 0.54 -0.30 -0.55 8.46 8.06 2bi8A1 SER 369 HA -0.05 -0.06 0.20 -0.75 4.49 3.82 2bi8A1 SER 369 HB2 -0.06 0.12 -0.19 -0.04 3.95 3.78 2bi8A1 SER 369 HB3 -0.05 0.04 0.02 -0.04 3.93 3.89 2bi8A1 LEU 370 H -0.19 0.47 -0.48 -0.55 8.37 7.62 2bi8A1 LEU 370 HA -0.13 0.07 0.67 -0.75 4.35 4.20 2bi8A1 LEU 370 HB2 -0.12 0.11 0.20 -0.04 1.64 1.78 2bi8A1 LEU 370 HB3 -0.08 -0.03 0.03 -0.04 1.64 1.52 2bi8A1 LEU 370 HG -0.64 0.18 0.03 -0.04 1.64 1.16 2bi8A1 LEU 370 HD13 -0.19 -0.01 0.01 -0.04 0.93 0.69 2bi8A1 LEU 370 HD23 -0.28 -0.02 -0.05 -0.04 0.89 0.51 2bi8A1 THR 371 H -0.06 0.38 0.12 -0.55 8.28 8.18 2bi8A1 THR 371 HA -0.02 0.04 0.43 -0.75 4.39 4.09 2bi8A1 THR 371 HB -0.01 -0.07 0.07 -0.04 4.32 4.28 2bi8A1 THR 371 HG23 -0.01 0.04 0.04 -0.04 1.22 1.25 2bi8A1 GLU 372 H -0.03 0.64 -0.11 -0.55 8.60 8.55 2bi8A1 GLU 372 HA -0.01 0.07 0.52 -0.75 4.29 4.12 2bi8A1 ASN 373 H -0.03 0.37 -0.87 -0.55 8.53 7.45 2bi8A1 ASN 373 HA -0.04 0.15 0.37 -0.75 4.76 4.49 2bi8A1 ASN 373 HB2 -0.01 0.04 0.08 -0.04 2.88 2.95 2bi8A1 ASN 373 HB3 -0.01 -0.07 0.16 -0.04 2.79 2.84 2bi8A1 ASN 373 HD21 -0.00 -0.06 0.01 -0.04 7.03 6.94 2bi8A1 ASN 373 HD22 -0.00 -0.06 0.04 -0.04 7.74 7.68 2bi8A1 GLN 374 H -0.04 0.89 0.16 -0.55 8.47 8.93 2bi8A1 GLN 374 HA -0.01 0.10 0.82 -0.75 4.36 4.52 2bi8A1 GLN 374 HB2 -0.02 -0.08 -0.09 -0.04 2.15 1.92 2bi8A1 GLN 374 HB3 -0.00 0.00 0.01 -0.04 2.02 1.99 2bi8A1 GLN 374 HG2 0.00 -0.09 0.01 -0.04 2.40 2.28 2bi8A1 GLN 374 HG3 -0.01 0.44 -0.41 -0.04 2.39 2.38 2bi8A1 GLN 374 HE21 0.00 -0.13 -0.01 -0.04 6.97 6.79 2bi8A1 GLN 374 HE22 -0.00 0.06 0.00 -0.04 7.69 7.72 2bi8A1 PRO 375 HA 0.02 0.07 0.52 -0.51 4.44 4.53 2bi8A1 PRO 375 HB2 0.03 -0.02 -0.04 -0.04 2.28 2.20 2bi8A1 PRO 375 HB3 0.03 0.06 0.06 -0.04 2.02 2.13 2bi8A1 PRO 375 HG2 0.02 -0.01 0.08 -0.04 2.03 2.07 2bi8A1 PRO 375 HG3 0.02 0.04 0.07 -0.04 2.03 2.11 2bi8A1 PRO 375 HD2 0.01 0.05 0.19 -0.04 3.68 3.89 2bi8A1 PRO 375 HD3 0.01 0.15 0.24 -0.04 3.65 4.00 2bi8A1 MET 376 H 0.04 0.15 0.15 -0.55 8.47 8.26 2bi8A1 MET 376 HA 0.04 0.12 0.67 -0.75 4.52 4.60 2bi8A1 MET 376 HB2 0.06 0.02 0.04 -0.04 2.15 2.23 2bi8A1 MET 376 HB3 -0.02 -0.01 0.11 -0.04 2.03 2.07 2bi8A1 MET 376 HG2 -0.46 -0.09 -0.13 -0.04 2.63 1.90 2bi8A1 MET 376 HG3 0.03 0.22 -0.35 -0.04 2.56 2.42 2bi8A1 MET 376 HE3 0.09 0.03 -0.32 -0.04 2.10 1.85 2bi8A1 PRO 377 HA 0.05 0.06 0.38 -0.51 4.44 4.42 2bi8A1 PRO 377 HB2 0.09 0.05 -0.10 -0.04 2.28 2.29 2bi8A1 PRO 377 HB3 0.07 0.01 0.10 -0.04 2.02 2.16 2bi8A1 PRO 377 HG2 0.08 -0.06 -0.08 -0.04 2.03 1.93 2bi8A1 PRO 377 HG3 0.07 0.01 0.03 -0.04 2.03 2.10 2bi8A1 PRO 377 HD2 0.06 0.05 0.18 -0.04 3.68 3.93 2bi8A1 PRO 377 HD3 0.05 0.29 0.18 -0.04 3.65 4.12 2bi8A1 VAL 378 H 0.04 0.09 0.20 -0.55 8.24 8.02 2bi8A1 VAL 378 HA -0.17 0.39 0.74 -0.75 4.13 4.34 2bi8A1 VAL 378 HB -0.03 -0.10 0.07 -0.04 2.12 2.02 2bi8A1 VAL 378 HG13 -0.31 -0.01 -0.07 -0.04 0.97 0.54 2bi8A1 VAL 378 HG23 -0.02 0.05 0.08 -0.04 0.95 1.02 2bi8A1 PHE 379 H 0.15 0.12 0.00 -0.55 8.34 8.06 2bi8A1 PHE 379 HA 0.11 0.21 0.79 -0.75 4.62 4.98 2bi8A1 PHE 379 HB2 0.07 -0.04 0.09 -0.04 3.15 3.22 2bi8A1 PHE 379 HB3 0.08 0.11 0.09 -0.04 3.06 3.30 2bi8A1 PHE 379 HD2 0.10 -0.01 0.01 -0.04 7.28 7.34 2bi8A1 PHE 379 HE2 0.08 0.08 -0.01 -0.04 7.38 7.49 2bi8A1 PHE 379 HZ -0.09 -0.04 -0.01 -0.04 7.32 7.13 2bi8A1 THR 380 H 0.21 0.17 0.08 -0.55 8.28 8.19 2bi8A1 THR 380 HA 0.12 0.23 0.71 -0.75 4.39 4.70 2bi8A1 THR 380 HB 0.08 -0.01 0.06 -0.04 4.32 4.41 2bi8A1 THR 380 HG23 0.11 0.03 -0.13 -0.04 1.22 1.18 2bi8A1 VAL 381 H 0.20 0.17 -0.07 -0.55 8.24 7.99 2bi8A1 VAL 381 HA 0.07 0.14 0.70 -0.75 4.13 4.29 2bi8A1 VAL 381 HB 0.08 -0.02 -0.17 -0.04 2.12 1.96 2bi8A1 VAL 381 HG13 0.11 -0.00 -0.18 -0.04 0.97 0.86 2bi8A1 VAL 381 HG23 0.04 0.02 0.01 -0.04 0.95 0.99 2bi8A1 SER 382 H 0.03 0.12 0.08 -0.55 8.46 8.14 2bi8A1 SER 382 HA -0.02 0.13 0.63 -0.75 4.49 4.47 2bi8A1 SER 382 HB2 -0.01 0.01 0.06 -0.04 3.95 3.97 2bi8A1 SER 382 HB3 0.01 0.03 0.07 -0.04 3.93 4.00 2bi8A1 VAL 383 H -0.12 0.03 0.17 -0.55 8.24 7.76 2bi8A1 VAL 383 HA -0.07 0.22 0.61 -0.75 4.13 4.13 2bi8A1 VAL 383 HB -0.45 -0.05 0.08 -0.04 2.12 1.66 2bi8A1 VAL 383 HG13 -0.17 0.05 -0.11 -0.04 0.97 0.70 2bi8A1 VAL 383 HG23 -0.38 0.05 -0.11 -0.04 0.95 0.47 2bi8A1 ARG 384 H -0.08 -0.02 0.02 -0.55 8.46 7.82 2bi8A1 ARG 384 HA -0.03 0.14 0.25 -0.75 4.34 3.94 2bi8A1 ARG 384 HB2 -0.04 -0.02 0.06 -0.04 1.90 1.87 2bi8A1 ARG 384 HB3 -0.03 0.04 0.05 -0.04 1.80 1.82 2bi8A1 ARG 384 HG2 -0.04 0.04 -0.01 -0.04 1.67 1.62 2bi8A1 ARG 384 HG3 -0.08 -0.06 -0.01 -0.04 1.67 1.48 2bi8A1 ARG 384 HD2 -0.04 -0.02 0.02 -0.04 3.22 3.14 2bi8A1 ARG 384 HD3 -0.03 0.02 0.00 -0.04 3.22 3.17