============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 59 rings ring int. center anis. iso. PHE 5 1.000 39.300 35.060 27.707 -99.200 -91.000 TYR 20 0.840 34.212 46.718 12.483 -99.200 -91.000 TYR 21 0.840 42.542 46.274 9.770 -99.200 -91.000 PHE 44 1.000 44.501 32.681 7.487 -99.200 -91.000 HIS 51 0.900 44.773 44.155 -5.954 -99.200 -91.000 PHE 53 1.000 42.330 48.979 -5.270 -99.200 -91.000 HIS 55 0.900 49.085 50.266 1.895 -99.200 -91.000 TYR 57 0.840 53.513 40.727 -2.138 -99.200 -91.000 TYR 58 0.840 51.946 33.029 3.068 -99.200 -91.000 TYR 66 0.840 53.181 27.451 1.196 -99.200 -91.000 TYR 74 0.840 36.456 31.535 -8.806 -99.200 -91.000 TYR 77 0.840 34.637 35.794 -0.396 -99.200 -91.000 TRP 82 1.040 39.628 35.020 -2.443 -99.200 -91.000 TRP6 82 1.020 40.442 32.821 -2.138 -99.200 -91.000 HIS 95 0.900 48.316 42.689 19.556 -99.200 -91.000 PHE 114 1.000 38.781 39.135 -1.030 -99.200 -91.000 PHE 115 1.000 43.234 41.276 -1.837 -99.200 -91.000 TRP 121 1.040 40.038 44.565 4.557 -99.200 -91.000 TRP6 121 1.020 39.605 43.058 2.784 -99.200 -91.000 TYR 129 0.840 29.842 26.095 12.496 -99.200 -91.000 PHE 142 1.000 43.131 30.387 12.771 -99.200 -91.000 PHE 143 1.000 37.311 29.474 16.926 -99.200 -91.000 HIS 151 0.900 45.323 21.934 26.394 -99.200 -91.000 PHE 156 1.000 33.949 33.390 16.387 -99.200 -91.000 HIS 174 0.900 31.787 38.412 32.091 -99.200 -91.000 TYR 177 0.840 28.343 41.126 28.541 -99.200 -91.000 TRP 182 1.040 18.228 38.417 26.889 -99.200 -91.000 TRP6 182 1.020 16.400 37.168 27.703 -99.200 -91.000 TYR 183 0.840 24.267 32.820 25.188 -99.200 -91.000 TRP 190 1.040 23.978 26.342 6.811 -99.200 -91.000 TRP6 190 1.020 23.222 26.756 4.611 -99.200 -91.000 TYR 191 0.840 26.308 30.604 4.359 -99.200 -91.000 TYR 192 0.840 29.318 31.069 13.036 -99.200 -91.000 TYR 213 0.840 9.631 38.651 9.434 -99.200 -91.000 TYR 215 0.840 12.116 32.111 -0.234 -99.200 -91.000 PHE 234 1.000 14.940 47.067 0.495 -99.200 -91.000 PHE 250 1.000 15.251 61.610 4.522 -99.200 -91.000 PHE 254 1.000 18.451 57.979 2.776 -99.200 -91.000 TRP 255 1.040 13.482 55.817 1.520 -99.200 -91.000 TRP6 255 1.020 13.939 55.817 3.840 -99.200 -91.000 TRP 263 1.040 20.563 65.669 7.899 -99.200 -91.000 TRP6 263 1.020 20.357 63.473 7.047 -99.200 -91.000 TRP 270 1.040 22.014 60.736 14.903 -99.200 -91.000 TRP6 270 1.020 22.874 59.310 13.224 -99.200 -91.000 PHE 273 1.000 16.493 58.960 9.199 -99.200 -91.000 TYR 279 0.840 10.105 40.818 19.129 -99.200 -91.000 PHE 289 1.000 17.520 36.676 21.870 -99.200 -91.000 TYR 298 0.840 17.987 52.563 10.434 -99.200 -91.000 TYR 308 0.840 25.196 60.216 8.599 -99.200 -91.000 PHE 310 1.000 17.326 52.330 4.514 -99.200 -91.000 PHE 329 1.000 22.252 44.431 19.118 -99.200 -91.000 TYR 330 0.840 31.073 40.431 23.919 -99.200 -91.000 PHE 333 1.000 29.565 35.074 15.826 -99.200 -91.000 PHE 342 1.000 22.708 38.377 18.344 -99.200 -91.000 HIS 348 0.900 24.926 50.852 21.918 -99.200 -91.000 HIS 350 0.900 24.743 55.038 23.366 -99.200 -91.000 PHE 353 1.000 17.162 63.350 23.186 -99.200 -91.000 PHE 362 1.000 9.819 40.731 24.345 -99.200 -91.000 TYR 372 0.840 13.962 27.094 1.818 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2b8vA1 ARG 43 HA 0.00 -0.11 0.20 -0.75 4.34 3.68 2b8vA1 ARG 43 HB2 0.00 -0.01 0.08 -0.04 1.90 1.93 2b8vA1 ARG 43 HB3 0.00 0.03 -0.04 -0.04 1.80 1.74 2b8vA1 ARG 43 HG2 -0.00 -0.01 0.03 -0.04 1.67 1.64 2b8vA1 ARG 43 HG3 -0.00 -0.02 0.03 -0.04 1.67 1.64 2b8vA1 ARG 43 HD2 -0.00 -0.00 0.01 -0.04 3.22 3.18 2b8vA1 ARG 43 HD3 -0.00 0.02 -0.01 -0.04 3.22 3.19 2b8vA1 ARG 44 H 0.01 0.11 -0.01 -0.55 8.46 8.01 2b8vA1 ARG 44 HA 0.01 0.11 0.36 -0.75 4.34 4.07 2b8vA1 ARG 44 HB2 0.01 0.20 -0.45 -0.04 1.90 1.62 2b8vA1 ARG 44 HB3 0.01 -0.28 0.10 -0.04 1.80 1.59 2b8vA1 ARG 44 HG2 0.00 -0.08 0.03 -0.04 1.67 1.58 2b8vA1 ARG 44 HG3 0.01 0.03 0.09 -0.04 1.67 1.76 2b8vA1 ARG 44 HD2 0.00 -0.04 0.03 -0.04 3.22 3.17 2b8vA1 ARG 44 HD3 0.00 0.19 0.11 -0.04 3.22 3.49 2b8vA1 GLY 45 H 0.01 0.15 0.02 -0.55 8.43 8.07 2b8vA1 GLY 45 HA2 0.04 -0.02 0.38 -0.51 4.01 3.90 2b8vA1 GLY 45 HA3 0.04 0.21 0.84 -0.51 4.01 4.60 2b8vA1 SER 46 H 0.05 0.15 0.14 -0.55 8.46 8.25 2b8vA1 SER 46 HA -0.07 0.11 0.39 -0.75 4.49 4.17 2b8vA1 SER 46 HB2 -0.25 0.09 0.04 -0.04 3.95 3.79 2b8vA1 SER 46 HB3 -0.02 0.02 0.16 -0.04 3.93 4.05 2b8vA1 PHE 47 H 0.41 0.04 -0.36 -0.55 8.34 7.88 2b8vA1 PHE 47 HA -0.14 0.18 0.69 -0.75 4.62 4.60 2b8vA1 PHE 47 HB2 -0.02 -0.01 -0.18 -0.04 3.15 2.89 2b8vA1 PHE 47 HB3 -0.18 0.01 -0.20 -0.04 3.06 2.65 2b8vA1 PHE 47 HD2 0.00 0.16 -0.46 -0.04 7.28 6.95 2b8vA1 PHE 47 HE2 0.02 0.06 -0.04 -0.04 7.38 7.38 2b8vA1 PHE 47 HZ 0.01 0.04 -0.01 -0.04 7.32 7.32 2b8vA1 VAL 48 H 0.06 0.54 -0.74 -0.55 8.24 7.56 2b8vA1 VAL 48 HA 0.07 -0.03 0.22 -0.75 4.13 3.64 2b8vA1 VAL 48 HB 0.04 -0.03 -0.23 -0.04 2.12 1.86 2b8vA1 VAL 48 HG13 0.02 0.04 -0.09 -0.04 0.97 0.90 2b8vA1 VAL 48 HG23 0.02 -0.00 -0.10 -0.04 0.95 0.83 2b8vA1 GLU 1 H 0.05 0.13 -0.30 -0.55 8.60 7.94 2b8vA1 GLU 1 HA 0.06 0.12 0.41 -0.75 4.29 4.12 2b8vA1 GLU 1 HB2 0.04 -0.05 0.06 -0.04 2.09 2.10 2b8vA1 GLU 1 HB3 0.06 0.02 -0.03 -0.04 1.99 2.00 2b8vA1 GLU 1 HG2 0.14 0.07 0.07 -0.04 2.34 2.58 2b8vA1 GLU 1 HG3 0.10 -0.03 0.09 -0.04 2.34 2.46 2b8vA1 MET 2 H 0.13 0.36 -0.37 -0.55 8.47 8.03 2b8vA1 MET 2 HA 0.12 0.44 0.86 -0.75 4.52 5.19 2b8vA1 MET 2 HB2 0.19 -0.02 0.06 -0.04 2.15 2.34 2b8vA1 MET 2 HB3 0.13 0.03 0.19 -0.04 2.03 2.33 2b8vA1 MET 2 HG2 0.14 0.30 -0.12 -0.04 2.63 2.92 2b8vA1 MET 2 HG3 0.17 -0.09 -0.15 -0.04 2.56 2.45 2b8vA1 MET 2 HE3 0.24 0.07 -0.18 -0.04 2.10 2.19 2b8vA1 VAL 3 H 0.07 0.31 -0.25 -0.55 8.24 7.82 2b8vA1 VAL 3 HA 0.03 -0.12 0.46 -0.75 4.13 3.75 2b8vA1 VAL 3 HB 0.02 0.24 0.12 -0.04 2.12 2.47 2b8vA1 VAL 3 HG13 -0.00 -0.01 -0.14 -0.04 0.97 0.77 2b8vA1 VAL 3 HG23 0.04 -0.02 -0.07 -0.04 0.95 0.85 2b8vA1 ASP 4 H 0.01 0.00 0.14 -0.55 8.40 8.00 2b8vA1 ASP 4 HA -0.01 0.14 0.44 -0.75 4.63 4.45 2b8vA1 ASP 4 HB2 -0.02 0.26 -0.04 -0.04 2.71 2.86 2b8vA1 ASP 4 HB3 -0.03 0.01 0.26 -0.04 2.70 2.90 2b8vA1 ASN 5 H 0.01 0.07 0.01 -0.55 8.53 8.08 2b8vA1 ASN 5 HA -0.06 0.14 0.67 -0.75 4.76 4.76 2b8vA1 ASN 5 HB2 0.10 -0.16 0.22 -0.04 2.88 3.00 2b8vA1 ASN 5 HB3 0.07 0.17 0.08 -0.04 2.79 3.06 2b8vA1 ASN 5 HD21 0.07 0.13 0.26 -0.04 7.03 7.45 2b8vA1 ASN 5 HD22 0.10 0.27 0.17 -0.04 7.74 8.25 2b8vA1 LEU 6 H -0.01 0.40 -0.16 -0.55 8.37 8.06 2b8vA1 LEU 6 HA -0.05 0.31 0.99 -0.75 4.35 4.85 2b8vA1 LEU 6 HB2 0.02 -0.06 -0.30 -0.04 1.64 1.27 2b8vA1 LEU 6 HB3 0.04 0.02 -0.16 -0.04 1.64 1.50 2b8vA1 LEU 6 HG 0.01 -0.16 -0.42 -0.04 1.64 1.03 2b8vA1 LEU 6 HD13 -0.03 -0.00 -0.31 -0.04 0.93 0.55 2b8vA1 LEU 6 HD23 0.00 0.03 -0.32 -0.04 0.89 0.56 2b8vA1 ARG 7 H -0.41 0.44 0.35 -0.55 8.46 8.28 2b8vA1 ARG 7 HA -0.17 0.27 0.83 -0.75 4.34 4.52 2b8vA1 ARG 7 HB2 -0.19 0.03 -0.16 -0.04 1.90 1.54 2b8vA1 ARG 7 HB3 -0.84 -0.06 -0.05 -0.04 1.80 0.82 2b8vA1 ARG 7 HG2 0.04 -0.06 -0.02 -0.04 1.67 1.59 2b8vA1 ARG 7 HG3 -0.09 -0.11 0.13 -0.04 1.67 1.56 2b8vA1 ARG 7 HD2 -0.01 -0.04 -0.04 -0.04 3.22 3.09 2b8vA1 ARG 7 HD3 -0.01 -0.05 0.02 -0.04 3.22 3.14 2b8vA1 GLY 8 H -0.17 0.19 0.07 -0.55 8.43 7.97 2b8vA1 GLY 8 HA2 -0.09 0.05 0.52 -0.51 4.01 3.97 2b8vA1 GLY 8 HA3 -0.33 0.16 0.40 -0.51 4.01 3.73 2b8vA1 LYS 9 H 0.22 0.26 0.10 -0.55 8.42 8.45 2b8vA1 LYS 9 HA 0.03 0.02 0.68 -0.75 4.32 4.30 2b8vA1 LYS 9 HB2 0.11 0.12 0.14 -0.04 1.87 2.19 2b8vA1 LYS 9 HB3 0.03 0.05 0.05 -0.04 1.79 1.87 2b8vA1 LYS 9 HG2 0.06 -0.02 -0.04 -0.04 1.46 1.42 2b8vA1 LYS 9 HG3 0.05 -0.03 0.03 -0.04 1.46 1.47 2b8vA1 LYS 9 HD2 0.16 -0.12 -0.20 -0.04 1.69 1.49 2b8vA1 LYS 9 HD3 0.28 0.05 -0.06 -0.04 1.68 1.91 2b8vA1 LYS 9 HE2 0.07 0.02 -0.04 -0.04 2.99 2.99 2b8vA1 LYS 9 HE3 0.18 -0.00 -0.06 -0.04 2.99 3.07 2b8vA1 SER 10 H -0.01 0.13 0.21 -0.55 8.46 8.24 2b8vA1 SER 10 HA -0.02 0.01 0.30 -0.75 4.49 4.03 2b8vA1 SER 10 HB2 -0.01 0.30 0.19 -0.04 3.95 4.38 2b8vA1 SER 10 HB3 -0.02 -0.15 0.18 -0.04 3.93 3.90 2b8vA1 GLY 11 H -0.01 0.12 0.05 -0.55 8.43 8.04 2b8vA1 GLY 11 HA2 -0.07 0.23 0.78 -0.51 4.01 4.45 2b8vA1 GLY 11 HA3 -0.00 0.02 0.38 -0.51 4.01 3.90 2b8vA1 GLN 12 H -0.01 0.43 -0.57 -0.55 8.47 7.77 2b8vA1 GLN 12 HA 0.07 0.15 0.88 -0.75 4.36 4.71 2b8vA1 GLN 12 HB2 0.08 0.23 0.11 -0.04 2.15 2.53 2b8vA1 GLN 12 HB3 0.16 -0.09 0.18 -0.04 2.02 2.23 2b8vA1 GLN 12 HG2 0.01 -0.02 -0.06 -0.04 2.40 2.29 2b8vA1 GLN 12 HG3 0.01 -0.12 -0.32 -0.04 2.39 1.92 2b8vA1 GLN 12 HE21 -0.09 0.09 -0.06 -0.04 6.97 6.86 2b8vA1 GLN 12 HE22 -0.05 -0.05 -0.06 -0.04 7.69 7.48 2b8vA1 GLY 13 H -0.05 0.10 -0.33 -0.55 8.43 7.60 2b8vA1 GLY 13 HA2 0.01 0.02 0.29 -0.51 4.01 3.82 2b8vA1 GLY 13 HA3 -0.02 0.13 0.62 -0.51 4.01 4.22 2b8vA1 TYR 14 H 0.09 0.18 0.19 -0.55 8.29 8.19 2b8vA1 TYR 14 HA -0.12 0.45 0.99 -0.75 4.56 5.13 2b8vA1 TYR 14 HB2 -0.07 -0.08 0.11 -0.04 3.06 2.98 2b8vA1 TYR 14 HB3 -0.09 0.01 -0.06 -0.04 2.98 2.79 2b8vA1 TYR 14 HD2 -0.05 -0.03 -0.16 -0.04 7.15 6.87 2b8vA1 TYR 14 HE2 -0.01 0.19 -0.04 -0.04 6.85 6.95 2b8vA1 TYR 15 H -0.43 0.67 0.31 -0.55 8.29 8.30 2b8vA1 TYR 15 HA -0.05 0.17 1.08 -0.75 4.56 5.01 2b8vA1 TYR 15 HB2 0.05 -0.09 -0.38 -0.04 3.06 2.60 2b8vA1 TYR 15 HB3 -0.04 -0.04 -0.43 -0.04 2.98 2.43 2b8vA1 TYR 15 HD2 0.16 0.01 -0.37 -0.04 7.15 6.90 2b8vA1 TYR 15 HE2 0.09 -0.01 -0.10 -0.04 6.85 6.79 2b8vA1 VAL 16 H 0.13 0.62 0.33 -0.55 8.24 8.77 2b8vA1 VAL 16 HA 0.10 0.36 1.01 -0.75 4.13 4.84 2b8vA1 VAL 16 HB 0.02 -0.06 -0.08 -0.04 2.12 1.96 2b8vA1 VAL 16 HG13 -0.03 0.01 -0.10 -0.04 0.97 0.81 2b8vA1 VAL 16 HG23 0.05 0.10 0.05 -0.04 0.95 1.11 2b8vA1 GLU 17 H 0.15 0.24 0.21 -0.55 8.60 8.65 2b8vA1 GLU 17 HA 0.11 0.18 0.74 -0.75 4.29 4.56 2b8vA1 GLU 17 HB2 0.18 -0.02 0.14 -0.04 2.09 2.35 2b8vA1 GLU 17 HB3 0.09 -0.02 -0.03 -0.04 1.99 1.99 2b8vA1 GLU 17 HG2 0.14 -0.01 -0.09 -0.04 2.34 2.33 2b8vA1 GLU 17 HG3 0.19 0.04 0.00 -0.04 2.34 2.53 2b8vA1 MET 18 H 0.04 0.61 0.41 -0.55 8.47 8.99 2b8vA1 MET 18 HA -0.03 0.20 0.97 -0.75 4.52 4.91 2b8vA1 MET 18 HB2 0.04 -0.06 0.02 -0.04 2.15 2.11 2b8vA1 MET 18 HB3 -0.07 0.02 -0.04 -0.04 2.03 1.90 2b8vA1 MET 18 HG2 -0.15 0.07 -0.14 -0.04 2.63 2.36 2b8vA1 MET 18 HG3 -0.05 0.05 -0.47 -0.04 2.56 2.05 2b8vA1 MET 18 HE3 -1.21 0.01 -0.16 -0.04 2.10 0.71 2b8vA1 THR 19 H -0.01 0.72 0.32 -0.55 8.28 8.77 2b8vA1 THR 19 HA 0.01 0.21 0.97 -0.75 4.39 4.83 2b8vA1 THR 19 HB 0.01 -0.02 -0.13 -0.04 4.32 4.13 2b8vA1 THR 19 HG23 -0.01 -0.01 -0.15 -0.04 1.22 1.01 2b8vA1 VAL 20 H -0.00 0.76 0.32 -0.55 8.24 8.76 2b8vA1 VAL 20 HA 0.04 0.37 1.13 -0.75 4.13 4.92 2b8vA1 VAL 20 HB -0.16 -0.04 -0.01 -0.04 2.12 1.87 2b8vA1 VAL 20 HG13 -0.00 -0.01 -0.23 -0.04 0.97 0.69 2b8vA1 VAL 20 HG23 -0.31 0.04 -0.07 -0.04 0.95 0.57 2b8vA1 GLY 21 H 0.09 0.43 0.20 -0.55 8.43 8.61 2b8vA1 GLY 21 HA2 0.15 -0.12 0.34 -0.51 4.01 3.87 2b8vA1 GLY 21 HA3 0.18 0.10 0.34 -0.51 4.01 4.13 2b8vA1 SER 22 H 0.10 0.05 0.15 -0.55 8.46 8.21 2b8vA1 SER 22 HA 0.04 0.03 0.44 -0.75 4.49 4.24 2b8vA1 SER 22 HB2 0.05 0.07 -0.19 -0.04 3.95 3.83 2b8vA1 SER 22 HB3 0.05 -0.16 0.07 -0.04 3.93 3.85 2b8vA1 PRO 23 HA 0.02 0.06 0.34 -0.51 4.44 4.35 2b8vA1 PRO 23 HB2 0.01 0.10 0.03 -0.04 2.28 2.38 2b8vA1 PRO 23 HB3 0.01 -0.02 0.13 -0.04 2.02 2.10 2b8vA1 PRO 23 HG2 0.01 0.06 0.01 -0.04 2.03 2.07 2b8vA1 PRO 23 HG3 0.01 -0.00 0.11 -0.04 2.03 2.10 2b8vA1 PRO 23 HD2 0.02 0.43 0.62 -0.04 3.68 4.72 2b8vA1 PRO 23 HD3 0.02 0.01 0.24 -0.04 3.65 3.88 2b8vA1 PRO 24 HA 0.03 0.19 0.24 -0.51 4.44 4.40 2b8vA1 PRO 24 HB2 0.01 -0.01 0.00 -0.04 2.28 2.24 2b8vA1 PRO 24 HB3 0.01 0.01 -0.04 -0.04 2.02 1.97 2b8vA1 PRO 24 HG2 0.01 0.03 0.04 -0.04 2.03 2.06 2b8vA1 PRO 24 HG3 0.01 0.07 0.03 -0.04 2.03 2.10 2b8vA1 PRO 24 HD2 0.01 0.11 0.13 -0.04 3.68 3.89 2b8vA1 PRO 24 HD3 0.02 0.05 0.20 -0.04 3.65 3.88 2b8vA1 GLN 25 H 0.03 0.40 0.10 -0.55 8.47 8.46 2b8vA1 GLN 25 HA 0.01 0.12 0.80 -0.75 4.36 4.54 2b8vA1 GLN 25 HB2 0.09 0.19 0.19 -0.04 2.15 2.57 2b8vA1 GLN 25 HB3 0.06 -0.06 -0.01 -0.04 2.02 1.97 2b8vA1 GLN 25 HG2 0.02 0.03 -0.03 -0.04 2.40 2.37 2b8vA1 GLN 25 HG3 0.06 0.19 -0.28 -0.04 2.39 2.32 2b8vA1 GLN 25 HE21 0.00 0.23 -0.08 -0.04 6.97 7.08 2b8vA1 GLN 25 HE22 0.07 0.11 -0.22 -0.04 7.69 7.60 2b8vA1 THR 26 H 0.01 0.18 0.04 -0.55 8.28 7.95 2b8vA1 THR 26 HA 0.01 0.24 0.90 -0.75 4.39 4.79 2b8vA1 THR 26 HB 0.01 -0.01 0.05 -0.04 4.32 4.33 2b8vA1 THR 26 HG23 0.03 -0.00 -0.20 -0.04 1.22 1.00 2b8vA1 LEU 27 H 0.02 0.72 0.41 -0.55 8.37 8.97 2b8vA1 LEU 27 HA 0.01 0.14 0.76 -0.75 4.35 4.50 2b8vA1 LEU 27 HB2 0.01 0.02 -0.08 -0.04 1.64 1.56 2b8vA1 LEU 27 HB3 0.02 -0.05 -0.06 -0.04 1.64 1.51 2b8vA1 LEU 27 HG -0.01 0.02 -0.66 -0.04 1.64 0.96 2b8vA1 LEU 27 HD13 -0.03 -0.01 -0.18 -0.04 0.93 0.66 2b8vA1 LEU 27 HD23 -0.00 0.05 -0.24 -0.04 0.89 0.66 2b8vA1 ASN 28 H -0.00 0.14 0.14 -0.55 8.53 8.26 2b8vA1 ASN 28 HA 0.09 0.17 0.61 -0.75 4.76 4.88 2b8vA1 ASN 28 HB2 -0.18 -0.06 0.34 -0.04 2.88 2.94 2b8vA1 ASN 28 HB3 -0.60 0.03 -0.02 -0.04 2.79 2.16 2b8vA1 ASN 28 HD21 -0.02 -0.05 -0.02 -0.04 7.03 6.90 2b8vA1 ASN 28 HD22 -0.27 0.49 0.16 -0.04 7.74 8.08 2b8vA1 ILE 29 H 0.14 0.79 0.24 -0.55 8.25 8.87 2b8vA1 ILE 29 HA 0.12 0.06 0.90 -0.75 4.18 4.50 2b8vA1 ILE 29 HB 0.03 0.08 0.00 -0.04 1.89 1.96 2b8vA1 ILE 29 HG12 0.09 0.11 -0.35 -0.04 1.49 1.29 2b8vA1 ILE 29 HG13 0.17 0.01 -0.20 -0.04 1.21 1.15 2b8vA1 ILE 29 HG23 0.13 -0.00 -0.44 -0.04 0.93 0.57 2b8vA1 ILE 29 HD13 0.11 0.02 -0.35 -0.04 0.88 0.62 2b8vA1 LEU 30 H -0.16 0.66 0.25 -0.55 8.37 8.57 2b8vA1 LEU 30 HA -0.24 0.19 0.50 -0.75 4.35 4.04 2b8vA1 LEU 30 HB2 -1.77 0.03 0.11 -0.04 1.64 -0.03 2b8vA1 LEU 30 HB3 -0.75 -0.07 0.25 -0.04 1.64 1.04 2b8vA1 LEU 30 HG -0.38 0.02 -0.37 -0.04 1.64 0.87 2b8vA1 LEU 30 HD13 -0.60 0.07 0.01 -0.04 0.93 0.37 2b8vA1 LEU 30 HD23 -0.82 -0.02 -0.07 -0.04 0.89 -0.06 2b8vA1 VAL 31 H -0.10 0.72 0.42 -0.55 8.24 8.73 2b8vA1 VAL 31 HA -0.13 0.07 0.68 -0.75 4.13 3.99 2b8vA1 VAL 31 HB -0.06 0.04 0.16 -0.04 2.12 2.22 2b8vA1 VAL 31 HG13 -0.16 -0.04 -0.15 -0.04 0.97 0.58 2b8vA1 VAL 31 HG23 -0.06 0.02 -0.04 -0.04 0.95 0.83 2b8vA1 ASP 32 H -0.10 0.65 0.23 -0.55 8.40 8.63 2b8vA1 ASP 32 HA -0.06 0.09 0.93 -0.75 4.63 4.83 2b8vA1 ASP 32 HB2 -0.11 0.13 -0.27 -0.04 2.71 2.41 2b8vA1 ASP 32 HB3 -0.01 0.08 -0.06 -0.04 2.70 2.66 2b8vA1 THR 33 H -0.05 0.09 0.14 -0.55 8.28 7.91 2b8vA1 THR 33 HA 0.01 0.12 0.64 -0.75 4.39 4.40 2b8vA1 THR 33 HB -0.10 0.10 0.17 -0.04 4.32 4.45 2b8vA1 THR 33 HG23 -0.55 0.03 -0.03 -0.04 1.22 0.63 2b8vA1 GLY 34 H 0.06 -0.04 -0.42 -0.55 8.43 7.49 2b8vA1 GLY 34 HA2 0.19 0.21 0.71 -0.51 4.01 4.61 2b8vA1 GLY 34 HA3 0.11 -0.04 0.26 -0.51 4.01 3.83 2b8vA1 SER 35 H 0.11 0.28 -0.18 -0.55 8.46 8.12 2b8vA1 SER 35 HA 0.11 0.22 0.46 -0.75 4.49 4.53 2b8vA1 SER 35 HB2 0.23 -0.02 0.08 -0.04 3.95 4.20 2b8vA1 SER 35 HB3 0.34 0.11 -0.22 -0.04 3.93 4.12 2b8vA1 SER 36 H 0.08 0.20 -0.00 -0.55 8.46 8.19 2b8vA1 SER 36 HA 0.07 0.17 0.70 -0.75 4.49 4.67 2b8vA1 SER 36 HB2 0.04 -0.01 -0.30 -0.04 3.95 3.64 2b8vA1 SER 36 HB3 0.05 0.06 -0.21 -0.04 3.93 3.79 2b8vA1 ASN 37 H 0.19 0.06 0.03 -0.55 8.53 8.26 2b8vA1 ASN 37 HA 0.20 0.28 0.98 -0.75 4.76 5.47 2b8vA1 ASN 37 HB2 0.31 -0.05 0.01 -0.04 2.88 3.11 2b8vA1 ASN 37 HB3 0.36 0.06 -0.17 -0.04 2.79 3.00 2b8vA1 ASN 37 HD21 0.12 0.57 0.12 -0.04 7.03 7.79 2b8vA1 ASN 37 HD22 0.23 -0.03 -0.04 -0.04 7.74 7.86 2b8vA1 PHE 38 H 0.30 0.27 0.15 -0.55 8.34 8.51 2b8vA1 PHE 38 HA 0.03 0.22 0.96 -0.75 4.62 5.07 2b8vA1 PHE 38 HB2 0.09 -0.10 0.14 -0.04 3.15 3.24 2b8vA1 PHE 38 HB3 0.08 0.18 0.27 -0.04 3.06 3.55 2b8vA1 PHE 38 HD2 -0.01 0.23 0.07 -0.04 7.28 7.52 2b8vA1 PHE 38 HE2 -0.11 -0.01 -0.20 -0.04 7.38 7.02 2b8vA1 PHE 38 HZ -0.18 0.01 -0.20 -0.04 7.32 6.91 2b8vA1 ALA 39 H 0.01 0.63 0.33 -0.55 8.40 8.82 2b8vA1 ALA 39 HA -0.40 0.18 0.96 -0.75 4.34 4.32 2b8vA1 ALA 39 HB3 -0.65 -0.01 -0.13 -0.04 1.41 0.58 2b8vA1 VAL 40 H -0.35 0.65 0.33 -0.55 8.24 8.33 2b8vA1 VAL 40 HA -0.05 0.12 1.11 -0.75 4.13 4.55 2b8vA1 VAL 40 HB -0.10 0.07 0.00 -0.04 2.12 2.06 2b8vA1 VAL 40 HG13 -0.46 -0.02 -0.33 -0.04 0.97 0.12 2b8vA1 VAL 40 HG23 -0.25 0.01 -0.13 -0.04 0.95 0.54 2b8vA1 GLY 41 H 0.12 0.81 0.43 -0.55 8.43 9.24 2b8vA1 GLY 41 HA2 0.12 0.00 0.56 -0.51 4.01 4.17 2b8vA1 GLY 41 HA3 -0.07 0.08 0.47 -0.51 4.01 3.97 2b8vA1 ALA 42 H -0.01 0.64 0.41 -0.55 8.40 8.89 2b8vA1 ALA 42 HA 0.15 0.13 0.97 -0.75 4.34 4.84 2b8vA1 ALA 42 HB3 -0.00 -0.01 0.03 -0.04 1.41 1.38 2b8vA1 ALA 43 H -0.22 0.20 0.13 -0.55 8.40 7.97 2b8vA1 ALA 43 HA -0.60 0.13 0.63 -0.75 4.34 3.75 2b8vA1 ALA 43 HB3 -0.15 0.02 0.04 -0.04 1.41 1.28 2b8vA1 PRO 44 HA -0.30 0.05 0.37 -0.51 4.44 4.04 2b8vA1 PRO 44 HB2 -0.09 0.03 -0.05 -0.04 2.28 2.12 2b8vA1 PRO 44 HB3 -0.06 0.04 0.05 -0.04 2.02 2.01 2b8vA1 PRO 44 HG2 -0.15 0.02 0.07 -0.04 2.03 1.94 2b8vA1 PRO 44 HG3 -0.11 0.03 0.05 -0.04 2.03 1.97 2b8vA1 PRO 44 HD2 -0.29 0.09 0.22 -0.04 3.68 3.66 2b8vA1 PRO 44 HD3 -0.48 0.12 0.13 -0.04 3.65 3.38 2b8vA1 HIS 45 H -0.05 0.34 0.20 -0.55 8.41 8.35 2b8vA1 HIS 45 HA -0.14 0.18 0.66 -0.75 4.63 4.58 2b8vA1 HIS 45 HB2 -0.17 0.18 -0.16 -0.04 3.26 3.07 2b8vA1 HIS 45 HB3 -0.29 -0.07 0.04 -0.04 3.20 2.84 2b8vA1 HIS 45 HD2 0.08 0.06 -0.00 -0.04 6.97 7.06 2b8vA1 HIS 45 HE1 -0.65 0.05 -0.06 -0.04 7.75 7.05 2b8vA1 PRO 46 HA -0.09 0.12 0.42 -0.51 4.44 4.38 2b8vA1 PRO 46 HB2 -0.64 -0.01 0.03 -0.04 2.28 1.61 2b8vA1 PRO 46 HB3 -0.17 0.05 0.08 -0.04 2.02 1.95 2b8vA1 PRO 46 HG2 -0.43 0.05 0.08 -0.04 2.03 1.69 2b8vA1 PRO 46 HG3 -0.25 0.07 0.07 -0.04 2.03 1.88 2b8vA1 PRO 46 HD2 -1.48 0.07 0.19 -0.04 3.68 2.42 2b8vA1 PRO 46 HD3 -0.49 0.20 0.17 -0.04 3.65 3.49 2b8vA1 PHE 47 H 0.41 0.04 -0.36 -0.55 8.34 7.88 2b8vA1 PHE 47 HA -0.14 0.18 0.69 -0.75 4.62 4.60 2b8vA1 PHE 47 HB2 -0.02 -0.01 -0.18 -0.04 3.15 2.89 2b8vA1 PHE 47 HB3 -0.18 0.01 -0.20 -0.04 3.06 2.65 2b8vA1 PHE 47 HD2 0.00 0.16 -0.46 -0.04 7.28 6.95 2b8vA1 PHE 47 HE2 0.02 0.06 -0.04 -0.04 7.38 7.38 2b8vA1 PHE 47 HZ 0.01 0.04 -0.01 -0.04 7.32 7.32 2b8vA1 LEU 48 H -0.01 0.52 -0.29 -0.55 8.37 8.04 2b8vA1 LEU 48 HA -0.29 0.13 0.96 -0.75 4.35 4.39 2b8vA1 LEU 48 HB2 -0.11 -0.04 0.14 -0.04 1.64 1.59 2b8vA1 LEU 48 HB3 -0.13 0.18 -0.02 -0.04 1.64 1.62 2b8vA1 LEU 48 HG -0.77 -0.16 -0.10 -0.04 1.64 0.56 2b8vA1 LEU 48 HD13 -0.53 0.05 0.03 -0.04 0.93 0.44 2b8vA1 LEU 48 HD23 -0.92 0.03 0.04 -0.04 0.89 0.01 2b8vA1 HIS 49 H -0.16 0.13 0.13 -0.55 8.41 7.97 2b8vA1 HIS 49 HA -0.02 0.13 0.55 -0.75 4.63 4.54 2b8vA1 HIS 49 HB2 -0.06 -0.02 0.07 -0.04 3.26 3.21 2b8vA1 HIS 49 HB3 -0.04 0.02 0.03 -0.04 3.20 3.16 2b8vA1 HIS 49 HD2 -0.09 0.00 0.01 -0.04 6.97 6.85 2b8vA1 HIS 49 HE1 -0.03 -0.00 -0.03 -0.04 7.75 7.65 2b8vA1 ARG 50 H 0.01 0.13 0.03 -0.55 8.46 8.07 2b8vA1 ARG 50 HA -0.10 0.16 0.52 -0.75 4.34 4.16 2b8vA1 ARG 50 HB2 -0.10 0.04 0.06 -0.04 1.90 1.85 2b8vA1 ARG 50 HB3 -0.05 0.10 -0.11 -0.04 1.80 1.70 2b8vA1 ARG 50 HG2 0.01 -0.15 -0.09 -0.04 1.67 1.40 2b8vA1 ARG 50 HG3 -0.02 -0.02 -0.15 -0.04 1.67 1.44 2b8vA1 ARG 50 HD2 -0.03 0.13 -0.01 -0.04 3.22 3.28 2b8vA1 ARG 50 HD3 -0.02 -0.00 -0.08 -0.04 3.22 3.08 2b8vA1 TYR 51 H -0.41 0.30 0.09 -0.55 8.29 7.72 2b8vA1 TYR 51 HA -0.03 0.12 0.50 -0.75 4.56 4.38 2b8vA1 TYR 51 HB2 -0.04 0.04 -0.39 -0.04 3.06 2.63 2b8vA1 TYR 51 HB3 -0.10 0.07 -0.34 -0.04 2.98 2.57 2b8vA1 TYR 51 HD2 -0.05 0.13 -0.62 -0.04 7.15 6.56 2b8vA1 TYR 51 HE2 -0.04 0.01 -0.18 -0.04 6.85 6.60 2b8vA1 TYR 52 H 0.25 0.75 0.25 -0.55 8.29 8.99 2b8vA1 TYR 52 HA -0.04 0.03 0.46 -0.75 4.56 4.26 2b8vA1 TYR 52 HB2 -0.04 0.01 0.01 -0.04 3.06 2.99 2b8vA1 TYR 52 HB3 -0.04 0.05 0.11 -0.04 2.98 3.07 2b8vA1 TYR 52 HD2 -0.08 0.01 -0.12 -0.04 7.15 6.92 2b8vA1 TYR 52 HE2 -0.04 0.02 -0.21 -0.04 6.85 6.58 2b8vA1 GLN 53 H 0.02 0.23 0.07 -0.55 8.47 8.25 2b8vA1 GLN 53 HA -0.10 0.20 0.85 -0.75 4.36 4.57 2b8vA1 GLN 53 HB2 -0.07 0.04 0.18 -0.04 2.15 2.25 2b8vA1 GLN 53 HB3 -0.07 -0.08 0.06 -0.04 2.02 1.89 2b8vA1 GLN 53 HG2 0.06 0.03 -0.14 -0.04 2.40 2.31 2b8vA1 GLN 53 HG3 -0.21 0.16 -0.20 -0.04 2.39 2.10 2b8vA1 GLN 53 HE21 -0.05 0.00 -0.03 -0.04 6.97 6.85 2b8vA1 GLN 53 HE22 0.02 -0.01 -0.04 -0.04 7.69 7.62 2b8vA1 ARG 54 H -0.54 0.31 -0.01 -0.55 8.46 7.67 2b8vA1 ARG 54 HA -0.69 0.06 0.35 -0.75 4.34 3.30 2b8vA1 ARG 54 HB2 -0.52 0.00 0.08 -0.04 1.90 1.43 2b8vA1 ARG 54 HB3 -0.91 0.05 -0.03 -0.04 1.80 0.87 2b8vA1 ARG 54 HG2 -1.59 0.00 -0.05 -0.04 1.67 -0.01 2b8vA1 ARG 54 HG3 -1.31 0.01 -0.06 -0.04 1.67 0.27 2b8vA1 ARG 54 HD2 -0.92 -0.01 -0.05 -0.04 3.22 2.20 2b8vA1 ARG 54 HD3 -0.46 0.01 -0.06 -0.04 3.22 2.68 2b8vA1 GLN 55 H -0.17 0.08 -0.18 -0.55 8.47 7.65 2b8vA1 GLN 55 HA -0.05 0.11 0.37 -0.75 4.36 4.04 2b8vA1 GLN 55 HB2 -0.04 0.05 -0.10 -0.04 2.15 2.02 2b8vA1 GLN 55 HB3 -0.03 0.02 0.08 -0.04 2.02 2.05 2b8vA1 GLN 55 HG2 -0.04 0.03 0.02 -0.04 2.40 2.36 2b8vA1 GLN 55 HG3 -0.09 -0.07 0.06 -0.04 2.39 2.25 2b8vA1 GLN 55 HE21 -0.02 0.02 -0.04 -0.04 6.97 6.90 2b8vA1 GLN 55 HE22 -0.02 0.02 -0.04 -0.04 7.69 7.60 2b8vA1 LEU 56 H -0.09 0.28 -0.46 -0.55 8.37 7.55 2b8vA1 LEU 56 HA -0.01 0.13 0.68 -0.75 4.35 4.39 2b8vA1 LEU 56 HB2 -0.03 0.13 0.04 -0.04 1.64 1.73 2b8vA1 LEU 56 HB3 -0.01 -0.01 0.10 -0.04 1.64 1.68 2b8vA1 LEU 56 HG -0.04 -0.11 -0.05 -0.04 1.64 1.40 2b8vA1 LEU 56 HD13 -0.04 -0.00 0.00 -0.04 0.93 0.85 2b8vA1 LEU 56 HD23 -0.02 0.01 -0.10 -0.04 0.89 0.74 2b8vA1 SER 57 H -0.04 0.39 -0.25 -0.55 8.46 8.03 2b8vA1 SER 57 HA 0.06 0.34 0.83 -0.75 4.49 4.97 2b8vA1 SER 57 HB2 0.13 0.08 0.01 -0.04 3.95 4.13 2b8vA1 SER 57 HB3 0.09 0.08 0.23 -0.04 3.93 4.29 2b8vA1 SER 58 H 0.05 0.72 0.37 -0.55 8.46 9.05 2b8vA1 SER 58 HA 0.05 0.12 0.43 -0.75 4.49 4.34 2b8vA1 SER 58 HB2 0.03 -0.03 0.11 -0.04 3.95 4.01 2b8vA1 SER 58 HB3 0.03 0.05 0.14 -0.04 3.93 4.11 2b8vA1 THR 59 H 0.09 -0.01 -0.18 -0.55 8.28 7.64 2b8vA1 THR 59 HA 0.05 0.22 0.70 -0.75 4.39 4.61 2b8vA1 THR 59 HB 0.06 -0.02 0.10 -0.04 4.32 4.41 2b8vA1 THR 59 HG23 0.04 0.01 -0.06 -0.04 1.22 1.17 2b8vA1 TYR 60 H 0.20 0.32 -0.31 -0.55 8.29 7.95 2b8vA1 TYR 60 HA 0.09 0.12 0.61 -0.75 4.56 4.63 2b8vA1 TYR 60 HB2 0.07 -0.10 0.14 -0.04 3.06 3.13 2b8vA1 TYR 60 HB3 0.01 0.18 0.13 -0.04 2.98 3.27 2b8vA1 TYR 60 HD2 0.11 0.01 -0.13 -0.04 7.15 7.10 2b8vA1 TYR 60 HE2 0.08 -0.03 -0.13 -0.04 6.85 6.73 2b8vA1 ARG 61 H -0.62 0.52 0.36 -0.55 8.46 8.16 2b8vA1 ARG 61 HA -0.23 0.15 0.90 -0.75 4.34 4.41 2b8vA1 ARG 61 HB2 -0.17 -0.09 0.15 -0.04 1.90 1.75 2b8vA1 ARG 61 HB3 -0.13 0.03 -0.00 -0.04 1.80 1.66 2b8vA1 ARG 61 HG2 -0.06 0.04 -0.10 -0.04 1.67 1.51 2b8vA1 ARG 61 HG3 -0.07 0.18 -0.30 -0.04 1.67 1.44 2b8vA1 ARG 61 HD2 -0.04 -0.05 -0.06 -0.04 3.22 3.03 2b8vA1 ARG 61 HD3 -0.04 -0.02 -0.04 -0.04 3.22 3.07 2b8vA1 ASP 62 H -0.18 0.18 0.13 -0.55 8.40 7.98 2b8vA1 ASP 62 HA -0.14 0.10 0.70 -0.75 4.63 4.54 2b8vA1 ASP 62 HB2 0.11 0.04 0.12 -0.04 2.71 2.94 2b8vA1 ASP 62 HB3 0.01 0.03 0.15 -0.04 2.70 2.85 2b8vA1 LEU 63 H 0.02 0.57 0.41 -0.55 8.37 8.82 2b8vA1 LEU 63 HA -0.01 0.19 0.72 -0.75 4.35 4.50 2b8vA1 LEU 63 HB2 0.04 0.04 -0.28 -0.04 1.64 1.40 2b8vA1 LEU 63 HB3 0.03 -0.00 0.02 -0.04 1.64 1.64 2b8vA1 LEU 63 HG -0.02 -0.02 -0.16 -0.04 1.64 1.39 2b8vA1 LEU 63 HD13 0.05 -0.01 -0.12 -0.04 0.93 0.81 2b8vA1 LEU 63 HD23 -0.00 0.02 -0.07 -0.04 0.89 0.80 2b8vA1 ARG 64 H 0.04 0.02 -0.12 -0.55 8.46 7.84 2b8vA1 ARG 64 HA 0.04 -0.03 0.31 -0.75 4.34 3.91 2b8vA1 ARG 64 HB2 0.02 0.16 -0.10 -0.04 1.90 1.94 2b8vA1 ARG 64 HB3 0.02 -0.03 0.16 -0.04 1.80 1.91 2b8vA1 ARG 64 HG2 0.03 -0.03 -0.01 -0.04 1.67 1.62 2b8vA1 ARG 64 HG3 0.02 0.02 -0.25 -0.04 1.67 1.41 2b8vA1 ARG 64 HD2 0.01 0.00 -0.04 -0.04 3.22 3.15 2b8vA1 ARG 64 HD3 0.01 0.04 -0.09 -0.04 3.22 3.14 2b8vA1 LYS 65 H 0.06 0.14 -0.03 -0.55 8.42 8.04 2b8vA1 LYS 65 HA 0.04 0.08 0.67 -0.75 4.32 4.36 2b8vA1 LYS 65 HB2 0.04 0.20 -0.19 -0.04 1.87 1.88 2b8vA1 LYS 65 HB3 0.05 -0.09 -0.04 -0.04 1.79 1.67 2b8vA1 LYS 65 HG2 0.05 0.27 -0.04 -0.04 1.46 1.70 2b8vA1 LYS 65 HG3 0.03 -0.05 0.14 -0.04 1.46 1.54 2b8vA1 LYS 65 HD2 0.03 -0.04 0.02 -0.04 1.69 1.66 2b8vA1 LYS 65 HD3 0.03 0.02 0.00 -0.04 1.68 1.69 2b8vA1 LYS 65 HE2 0.05 -0.03 -0.05 -0.04 2.99 2.92 2b8vA1 LYS 65 HE3 0.05 0.04 -0.01 -0.04 2.99 3.03 2b8vA1 GLY 66 H 0.05 0.12 0.17 -0.55 8.43 8.23 2b8vA1 GLY 66 HA2 0.09 0.19 0.86 -0.51 4.01 4.64 2b8vA1 GLY 66 HA3 0.07 0.01 0.41 -0.51 4.01 3.99 2b8vA1 VAL 67 H 0.15 0.51 0.27 -0.55 8.24 8.62 2b8vA1 VAL 67 HA 0.07 0.13 0.63 -0.75 4.13 4.20 2b8vA1 VAL 67 HB 0.14 0.10 -0.28 -0.04 2.12 2.04 2b8vA1 VAL 67 HG13 0.39 -0.02 -0.33 -0.04 0.97 0.96 2b8vA1 VAL 67 HG23 0.06 0.01 -0.30 -0.04 0.95 0.68 2b8vA1 TYR 68 H 0.00 0.28 0.12 -0.55 8.29 8.15 2b8vA1 TYR 68 HA -0.30 0.24 1.01 -0.75 4.56 4.75 2b8vA1 TYR 68 HB2 -0.10 -0.04 -0.06 -0.04 3.06 2.82 2b8vA1 TYR 68 HB3 -0.15 0.01 0.09 -0.04 2.98 2.89 2b8vA1 TYR 68 HD2 -0.13 -0.02 -0.14 -0.04 7.15 6.82 2b8vA1 TYR 68 HE2 -0.09 -0.01 -0.15 -0.04 6.85 6.55 2b8vA1 VAL 69 H -1.50 0.54 0.21 -0.55 8.24 6.95 2b8vA1 VAL 69 HA -0.68 0.30 1.03 -0.75 4.13 4.04 2b8vA1 VAL 69 HB -2.21 -0.08 0.04 -0.04 2.12 -0.18 2b8vA1 VAL 69 HG13 -0.99 0.01 -0.22 -0.04 0.97 -0.27 2b8vA1 VAL 69 HG23 -0.63 -0.02 -0.30 -0.04 0.95 -0.04 2b8vA1 PRO 70 HA -0.39 0.11 0.87 -0.51 4.44 4.52 2b8vA1 PRO 70 HB2 -0.08 0.12 -0.02 -0.04 2.28 2.26 2b8vA1 PRO 70 HB3 -0.09 -0.05 -0.00 -0.04 2.02 1.83 2b8vA1 PRO 70 HG2 -0.14 0.05 0.09 -0.04 2.03 1.98 2b8vA1 PRO 70 HG3 -0.01 0.02 0.01 -0.04 2.03 2.01 2b8vA1 PRO 70 HD2 -0.33 0.13 0.22 -0.04 3.68 3.66 2b8vA1 PRO 70 HD3 -0.25 0.11 -0.08 -0.04 3.65 3.38 2b8vA1 TYR 71 H 0.05 0.80 0.20 -0.55 8.29 8.78 2b8vA1 TYR 71 HA -0.02 0.16 0.78 -0.75 4.56 4.72 2b8vA1 TYR 71 HB2 0.08 0.30 -0.15 -0.04 3.06 3.25 2b8vA1 TYR 71 HB3 0.06 -0.18 0.09 -0.04 2.98 2.91 2b8vA1 TYR 71 HD2 0.02 0.04 -0.20 -0.04 7.15 6.98 2b8vA1 TYR 71 HE2 -0.11 -0.08 -0.15 -0.04 6.85 6.47 2b8vA1 THR 72 H 0.17 0.12 0.09 -0.55 8.28 8.11 2b8vA1 THR 72 HA 0.05 0.06 0.38 -0.75 4.39 4.13 2b8vA1 THR 72 HB 0.06 -0.01 0.05 -0.04 4.32 4.38 2b8vA1 THR 72 HG23 0.01 -0.00 -0.01 -0.04 1.22 1.18 2b8vA1 GLN 73 H 0.15 0.06 -0.21 -0.55 8.47 7.92 2b8vA1 GLN 73 HA 0.09 0.13 0.86 -0.75 4.36 4.69 2b8vA1 GLN 73 HB2 0.06 -0.02 -0.05 -0.04 2.15 2.10 2b8vA1 GLN 73 HB3 0.07 -0.05 0.13 -0.04 2.02 2.13 2b8vA1 GLN 73 HG2 0.09 0.15 -0.17 -0.04 2.40 2.43 2b8vA1 GLN 73 HG3 0.07 -0.02 0.02 -0.04 2.39 2.42 2b8vA1 GLN 73 HE21 0.04 -0.01 0.00 -0.04 6.97 6.96 2b8vA1 GLN 73 HE22 0.04 -0.01 -0.01 -0.04 7.69 7.68 2b8vA1 GLY 74 H 0.11 0.08 0.06 -0.55 8.43 8.13 2b8vA1 GLY 74 HA2 0.14 0.11 0.38 -0.51 4.01 4.13 2b8vA1 GLY 74 HA3 0.25 0.21 0.37 -0.51 4.01 4.33 2b8vA1 ALA 75 H 0.13 0.40 0.24 -0.55 8.40 8.63 2b8vA1 ALA 75 HA -0.25 0.25 0.65 -0.75 4.34 4.24 2b8vA1 ALA 75 HB3 -0.30 0.01 -0.05 -0.04 1.41 1.02 2b8vA1 TRP 76 H -1.02 0.52 0.30 -0.55 7.97 7.22 2b8vA1 TRP 76 HA -0.16 0.07 0.86 -0.75 4.62 4.64 2b8vA1 TRP 76 HB2 -0.20 0.12 0.15 -0.04 3.23 3.26 2b8vA1 TRP 76 HB3 -0.45 -0.06 -0.02 -0.04 3.23 2.67 2b8vA1 TRP 76 HD1 -2.02 -0.01 -0.21 -0.04 7.22 4.95 2b8vA1 TRP 76 HE1 -0.13 0.01 -0.16 -0.04 10.20 9.89 2b8vA1 TRP 76 HE3 -0.12 0.04 -0.83 -0.04 7.59 6.64 2b8vA1 TRP 76 HZ2 -0.03 -0.00 -0.21 -0.04 7.44 7.15 2b8vA1 TRP 76 HZ3 -0.04 -0.00 -0.38 -0.04 7.13 6.67 2b8vA1 TRP 76 HH2 -0.04 0.03 -0.26 -0.04 7.19 6.88 2b8vA1 ALA 77 H 0.28 0.69 0.37 -0.55 8.40 9.19 2b8vA1 ALA 77 HA 0.20 0.25 1.09 -0.75 4.34 5.13 2b8vA1 ALA 77 HB3 0.22 -0.01 0.07 -0.04 1.41 1.65 2b8vA1 GLY 78 H 0.29 0.64 0.40 -0.55 8.43 9.22 2b8vA1 GLY 78 HA2 0.15 0.02 0.81 -0.51 4.01 4.47 2b8vA1 GLY 78 HA3 0.22 0.06 0.28 -0.51 4.01 4.07 2b8vA1 GLU 79 H 0.10 0.51 0.35 -0.55 8.60 9.01 2b8vA1 GLU 79 HA 0.11 0.17 1.04 -0.75 4.29 4.86 2b8vA1 GLU 79 HB2 0.08 -0.01 0.14 -0.04 2.09 2.26 2b8vA1 GLU 79 HB3 0.10 0.02 0.07 -0.04 1.99 2.13 2b8vA1 GLU 79 HG2 0.07 0.02 -0.09 -0.04 2.34 2.30 2b8vA1 GLU 79 HG3 0.08 -0.11 -0.40 -0.04 2.34 1.86 2b8vA1 LEU 80 H 0.11 0.70 0.35 -0.55 8.37 8.99 2b8vA1 LEU 80 HA 0.13 0.21 0.85 -0.75 4.35 4.79 2b8vA1 LEU 80 HB2 0.09 0.01 0.10 -0.04 1.64 1.80 2b8vA1 LEU 80 HB3 0.09 0.02 0.06 -0.04 1.64 1.77 2b8vA1 LEU 80 HG 0.13 -0.05 -0.22 -0.04 1.64 1.46 2b8vA1 LEU 80 HD13 0.08 0.01 -0.06 -0.04 0.93 0.93 2b8vA1 LEU 80 HD23 0.15 0.00 -0.13 -0.04 0.89 0.87 2b8vA1 GLY 81 H 0.13 0.46 0.44 -0.55 8.43 8.92 2b8vA1 GLY 81 HA2 -0.03 0.00 0.59 -0.51 4.01 4.07 2b8vA1 GLY 81 HA3 0.05 0.05 0.51 -0.51 4.01 4.12 2b8vA1 THR 82 H -0.22 0.52 0.42 -0.55 8.28 8.45 2b8vA1 THR 82 HA 0.10 0.31 1.05 -0.75 4.39 5.10 2b8vA1 THR 82 HB 0.04 0.04 -0.06 -0.04 4.32 4.30 2b8vA1 THR 82 HG23 0.02 -0.03 -0.26 -0.04 1.22 0.92 2b8vA1 ASP 83 H 0.13 0.56 0.31 -0.55 8.40 8.85 2b8vA1 ASP 83 HA 0.11 0.21 0.41 -0.75 4.63 4.61 2b8vA1 ASP 83 HB2 0.39 0.02 -0.34 -0.04 2.71 2.73 2b8vA1 ASP 83 HB3 0.19 0.05 -0.10 -0.04 2.70 2.80 2b8vA1 LEU 84 H 0.11 0.05 0.11 -0.55 8.37 8.09 2b8vA1 LEU 84 HA 0.07 0.25 0.63 -0.75 4.35 4.55 2b8vA1 LEU 84 HB2 0.07 -0.03 -0.00 -0.04 1.64 1.63 2b8vA1 LEU 84 HB3 0.05 0.06 -0.06 -0.04 1.64 1.65 2b8vA1 LEU 84 HG 0.06 -0.07 -0.00 -0.04 1.64 1.59 2b8vA1 LEU 84 HD13 0.04 0.01 -0.10 -0.04 0.93 0.83 2b8vA1 LEU 84 HD23 0.03 0.01 -0.16 -0.04 0.89 0.73 2b8vA1 VAL 85 H 0.09 0.61 0.41 -0.55 8.24 8.80 2b8vA1 VAL 85 HA 0.08 0.33 1.00 -0.75 4.13 4.78 2b8vA1 VAL 85 HB 0.28 -0.05 0.03 -0.04 2.12 2.34 2b8vA1 VAL 85 HG13 -0.10 -0.01 -0.19 -0.04 0.97 0.62 2b8vA1 VAL 85 HG23 0.25 0.02 -0.34 -0.04 0.95 0.85 2b8vA1 SER 86 H 0.03 0.63 0.37 -0.55 8.46 8.94 2b8vA1 SER 86 HA 0.06 0.20 0.86 -0.75 4.49 4.84 2b8vA1 SER 86 HB2 0.01 -0.05 0.01 -0.04 3.95 3.88 2b8vA1 SER 86 HB3 0.00 0.08 0.06 -0.04 3.93 4.03 2b8vA1 ILE 87 H 0.02 0.39 0.11 -0.55 8.25 8.21 2b8vA1 ILE 87 HA -0.03 0.22 0.93 -0.75 4.18 4.55 2b8vA1 ILE 87 HB 0.04 -0.02 0.21 -0.04 1.89 2.07 2b8vA1 ILE 87 HG12 -0.13 0.07 -0.11 -0.04 1.49 1.28 2b8vA1 ILE 87 HG13 0.01 -0.10 -0.34 -0.04 1.21 0.74 2b8vA1 ILE 87 HG23 0.02 0.04 -0.04 -0.04 0.93 0.91 2b8vA1 ILE 87 HD13 -0.01 -0.01 -0.07 -0.04 0.88 0.75 2b8vA1 PRO 88 HA -0.13 0.07 0.37 -0.51 4.44 4.23 2b8vA1 PRO 88 HB2 -0.60 0.05 -0.01 -0.04 2.28 1.68 2b8vA1 PRO 88 HB3 -0.27 0.02 0.03 -0.04 2.02 1.76 2b8vA1 PRO 88 HG2 -0.07 0.02 -0.08 -0.04 2.03 1.86 2b8vA1 PRO 88 HG3 -0.07 0.01 -0.04 -0.04 2.03 1.89 2b8vA1 PRO 88 HD2 -0.03 0.27 0.04 -0.04 3.68 3.92 2b8vA1 PRO 88 HD3 -0.03 0.11 0.05 -0.04 3.65 3.73 2b8vA1 HIS 89 H -0.07 0.10 -0.22 -0.55 8.41 7.67 2b8vA1 HIS 89 HA 0.03 0.23 0.84 -0.75 4.63 4.98 2b8vA1 HIS 89 HB2 0.03 -0.05 0.16 -0.04 3.26 3.37 2b8vA1 HIS 89 HB3 0.04 0.18 0.25 -0.04 3.20 3.62 2b8vA1 HIS 89 HD2 0.04 -0.05 0.03 -0.04 6.97 6.95 2b8vA1 HIS 89 HE1 0.02 -0.03 -0.05 -0.04 7.75 7.65 2b8vA1 GLY 90 H 0.03 0.50 -0.50 -0.55 8.43 7.91 2b8vA1 GLY 90 HA2 0.11 0.13 0.83 -0.51 4.01 4.58 2b8vA1 GLY 90 HA3 0.08 -0.06 0.37 -0.51 4.01 3.89 2b8vA1 PRO 91 HA 0.07 0.05 0.46 -0.51 4.44 4.51 2b8vA1 PRO 91 HB2 0.03 -0.01 -0.06 -0.04 2.28 2.20 2b8vA1 PRO 91 HB3 0.09 0.08 0.07 -0.04 2.02 2.22 2b8vA1 PRO 91 HG2 0.05 0.01 0.06 -0.04 2.03 2.11 2b8vA1 PRO 91 HG3 0.05 0.02 0.02 -0.04 2.03 2.08 2b8vA1 PRO 91 HD2 0.09 0.07 0.23 -0.04 3.68 4.02 2b8vA1 PRO 91 HD3 0.12 0.09 0.20 -0.04 3.65 4.01 2b8vA1 ASN 92 H 0.02 0.10 0.11 -0.55 8.53 8.21 2b8vA1 ASN 92 HA -0.00 0.20 0.63 -0.75 4.76 4.83 2b8vA1 ASN 92 HB2 -0.00 0.05 0.13 -0.04 2.88 3.01 2b8vA1 ASN 92 HB3 -0.01 -0.05 0.24 -0.04 2.79 2.93 2b8vA1 ASN 92 HD21 -0.01 -0.02 0.03 -0.04 7.03 6.99 2b8vA1 ASN 92 HD22 -0.01 -0.03 0.07 -0.04 7.74 7.73 2b8vA1 VAL 93 H 0.00 0.59 -0.06 -0.55 8.24 8.22 2b8vA1 VAL 93 HA -0.03 0.13 0.63 -0.75 4.13 4.11 2b8vA1 VAL 93 HB -0.05 0.02 0.04 -0.04 2.12 2.09 2b8vA1 VAL 93 HG13 -0.04 -0.04 -0.26 -0.04 0.97 0.59 2b8vA1 VAL 93 HG23 -0.03 -0.01 -0.27 -0.04 0.95 0.60 2b8vA1 THR 94 H -0.03 0.30 0.16 -0.55 8.28 8.16 2b8vA1 THR 94 HA 0.02 0.27 0.84 -0.75 4.39 4.77 2b8vA1 THR 94 HB -0.00 -0.03 0.02 -0.04 4.32 4.27 2b8vA1 THR 94 HG23 0.03 -0.00 -0.18 -0.04 1.22 1.03 2b8vA1 VAL 95 H 0.04 0.61 0.32 -0.55 8.24 8.66 2b8vA1 VAL 95 HA -0.02 0.23 0.96 -0.75 4.13 4.55 2b8vA1 VAL 95 HB -0.09 0.05 -0.06 -0.04 2.12 1.97 2b8vA1 VAL 95 HG13 -0.12 0.00 -0.28 -0.04 0.97 0.53 2b8vA1 VAL 95 HG23 -0.09 0.01 -0.21 -0.04 0.95 0.62 2b8vA1 ARG 96 H -0.01 0.23 0.12 -0.55 8.46 8.24 2b8vA1 ARG 96 HA 0.06 0.27 0.80 -0.75 4.34 4.72 2b8vA1 ARG 96 HB2 0.02 -0.02 -0.03 -0.04 1.90 1.83 2b8vA1 ARG 96 HB3 0.01 -0.00 0.14 -0.04 1.80 1.91 2b8vA1 ARG 96 HG2 0.03 -0.01 -0.24 -0.04 1.67 1.40 2b8vA1 ARG 96 HG3 0.04 0.00 -0.14 -0.04 1.67 1.54 2b8vA1 ARG 96 HD2 0.01 -0.01 -0.06 -0.04 3.22 3.12 2b8vA1 ARG 96 HD3 0.00 -0.01 -0.11 -0.04 3.22 3.07 2b8vA1 ALA 97 H 0.13 0.50 0.24 -0.55 8.40 8.73 2b8vA1 ALA 97 HA 0.08 0.19 0.94 -0.75 4.34 4.80 2b8vA1 ALA 97 HB3 0.24 -0.00 -0.05 -0.04 1.41 1.56 2b8vA1 ASN 98 H 0.15 0.17 0.16 -0.55 8.53 8.47 2b8vA1 ASN 98 HA 0.12 0.20 0.72 -0.75 4.76 5.05 2b8vA1 ASN 98 HB2 0.16 0.06 0.13 -0.04 2.88 3.18 2b8vA1 ASN 98 HB3 0.13 -0.02 0.05 -0.04 2.79 2.90 2b8vA1 ASN 98 HD21 0.06 -0.08 0.09 -0.04 7.03 7.06 2b8vA1 ASN 98 HD22 0.09 0.41 0.06 -0.04 7.74 8.27 2b8vA1 ILE 99 H 0.14 0.76 0.40 -0.55 8.25 8.99 2b8vA1 ILE 99 HA -0.03 0.22 0.84 -0.75 4.18 4.45 2b8vA1 ILE 99 HB 0.15 -0.06 -0.12 -0.04 1.89 1.82 2b8vA1 ILE 99 HG12 0.20 0.06 -0.30 -0.04 1.49 1.41 2b8vA1 ILE 99 HG13 0.19 0.11 -0.55 -0.04 1.21 0.92 2b8vA1 ILE 99 HG23 -0.44 -0.01 -0.31 -0.04 0.93 0.12 2b8vA1 ILE 99 HD13 0.03 -0.01 -0.24 -0.04 0.88 0.62 2b8vA1 ALA 100 H -0.12 0.63 0.32 -0.55 8.40 8.69 2b8vA1 ALA 100 HA 0.08 0.19 0.75 -0.75 4.34 4.61 2b8vA1 ALA 100 HB3 0.06 -0.02 -0.05 -0.04 1.41 1.36 2b8vA1 ALA 101 H 0.06 0.81 0.32 -0.55 8.40 9.04 2b8vA1 ALA 101 HA -0.00 0.18 0.69 -0.75 4.34 4.45 2b8vA1 ALA 101 HB3 0.02 -0.00 0.12 -0.04 1.41 1.51 2b8vA1 ILE 102 H -0.16 0.73 0.24 -0.55 8.25 8.51 2b8vA1 ILE 102 HA -0.09 0.10 0.54 -0.75 4.18 3.98 2b8vA1 ILE 102 HB -0.02 -0.08 -0.03 -0.04 1.89 1.72 2b8vA1 ILE 102 HG12 -1.59 0.01 -0.24 -0.04 1.49 -0.37 2b8vA1 ILE 102 HG13 -0.76 0.06 -0.20 -0.04 1.21 0.27 2b8vA1 ILE 102 HG23 0.06 0.01 -0.20 -0.04 0.93 0.75 2b8vA1 ILE 102 HD13 -0.90 -0.01 -0.25 -0.04 0.88 -0.32 2b8vA1 THR 103 H 0.09 0.49 0.53 -0.55 8.28 8.85 2b8vA1 THR 103 HA 0.01 0.16 0.91 -0.75 4.39 4.71 2b8vA1 THR 103 HB 0.02 -0.01 0.04 -0.04 4.32 4.33 2b8vA1 THR 103 HG23 0.01 0.04 -0.11 -0.04 1.22 1.11 2b8vA1 GLU 104 H 0.14 0.42 0.36 -0.55 8.60 8.98 2b8vA1 GLU 104 HA 0.11 0.20 0.83 -0.75 4.29 4.68 2b8vA1 GLU 104 HB2 0.13 -0.09 0.07 -0.04 2.09 2.16 2b8vA1 GLU 104 HB3 0.10 0.03 0.07 -0.04 1.99 2.15 2b8vA1 GLU 104 HG2 0.06 0.07 -0.06 -0.04 2.34 2.37 2b8vA1 GLU 104 HG3 0.07 -0.07 -0.60 -0.04 2.34 1.70 2b8vA1 SER 105 H 0.16 0.33 0.24 -0.55 8.46 8.64 2b8vA1 SER 105 HA 0.16 0.13 0.78 -0.75 4.49 4.81 2b8vA1 SER 105 HB2 0.14 -0.01 0.11 -0.04 3.95 4.14 2b8vA1 SER 105 HB3 0.17 0.09 -0.16 -0.04 3.93 3.99 2b8vA1 ASP 106 H 0.13 0.81 0.32 -0.55 8.40 9.10 2b8vA1 ASP 106 HA 0.12 0.13 0.95 -0.75 4.63 5.08 2b8vA1 ASP 106 HB2 0.09 0.02 -0.09 -0.04 2.71 2.70 2b8vA1 ASP 106 HB3 0.09 0.00 0.12 -0.04 2.70 2.87 2b8vA1 LYS 107 H 0.15 0.18 0.10 -0.55 8.42 8.30 2b8vA1 LYS 107 HA 0.16 0.08 0.30 -0.75 4.32 4.10 2b8vA1 LYS 107 HB2 0.12 0.10 -0.03 -0.04 1.87 2.02 2b8vA1 LYS 107 HB3 0.11 0.05 0.18 -0.04 1.79 2.09 2b8vA1 LYS 107 HG2 0.10 0.04 0.04 -0.04 1.46 1.59 2b8vA1 LYS 107 HG3 0.09 -0.10 -0.13 -0.04 1.46 1.29 2b8vA1 LYS 107 HD2 0.08 0.00 -0.04 -0.04 1.69 1.68 2b8vA1 LYS 107 HD3 0.07 0.03 0.01 -0.04 1.68 1.76 2b8vA1 LYS 107 HE2 0.06 0.01 0.00 -0.04 2.99 3.02 2b8vA1 LYS 107 HE3 0.06 -0.02 -0.02 -0.04 2.99 2.97 2b8vA1 PHE 108 H 0.21 -0.09 -0.30 -0.55 8.34 7.61 2b8vA1 PHE 108 HA 0.04 0.28 0.74 -0.75 4.62 4.93 2b8vA1 PHE 108 HB2 0.05 0.02 -0.12 -0.04 3.15 3.07 2b8vA1 PHE 108 HB3 -0.31 -0.16 0.02 -0.04 3.06 2.57 2b8vA1 PHE 108 HD2 -0.82 0.03 -0.14 -0.04 7.28 6.31 2b8vA1 PHE 108 HE2 -0.40 -0.01 -0.19 -0.04 7.38 6.74 2b8vA1 PHE 108 HZ 0.02 -0.03 -0.21 -0.04 7.32 7.06 2b8vA1 PHE 109 H -0.15 -0.04 0.00 -0.55 8.34 7.60 2b8vA1 PHE 109 HA -0.73 0.12 0.38 -0.75 4.62 3.63 2b8vA1 PHE 109 HB2 -0.42 -0.10 -0.01 -0.04 3.15 2.58 2b8vA1 PHE 109 HB3 -0.36 0.10 -0.08 -0.04 3.06 2.68 2b8vA1 PHE 109 HD2 -0.62 0.03 -0.06 -0.04 7.28 6.59 2b8vA1 PHE 109 HE2 0.08 0.01 -0.24 -0.04 7.38 7.20 2b8vA1 PHE 109 HZ 0.00 -0.04 -0.07 -0.04 7.32 7.18 2b8vA1 ILE 110 H -0.67 0.20 0.16 -0.55 8.25 7.39 2b8vA1 ILE 110 HA -0.13 0.13 0.87 -0.75 4.18 4.30 2b8vA1 ILE 110 HB -0.34 -0.02 0.11 -0.04 1.89 1.59 2b8vA1 ILE 110 HG12 -0.03 0.02 -0.19 -0.04 1.49 1.24 2b8vA1 ILE 110 HG13 -0.13 0.13 -0.23 -0.04 1.21 0.93 2b8vA1 ILE 110 HG23 -0.15 0.03 -0.13 -0.04 0.93 0.65 2b8vA1 ILE 110 HD13 0.12 0.01 -0.04 -0.04 0.88 0.93 2b8vA1 ASN 111 H -0.83 0.16 0.10 -0.55 8.53 7.42 2b8vA1 ASN 111 HA -0.79 0.02 0.47 -0.75 4.76 3.70 2b8vA1 ASN 111 HB2 -2.09 -0.01 0.12 -0.04 2.88 0.86 2b8vA1 ASN 111 HB3 -0.59 0.03 0.12 -0.04 2.79 2.31 2b8vA1 ASN 111 HD21 -0.09 0.02 -0.02 -0.04 7.03 6.89 2b8vA1 ASN 111 HD22 -0.24 -0.01 -0.01 -0.04 7.74 7.44 2b8vA1 GLY 112 H -0.29 0.16 0.27 -0.55 8.43 8.02 2b8vA1 GLY 112 HA2 -0.10 0.00 0.36 -0.51 4.01 3.77 2b8vA1 GLY 112 HA3 -0.14 0.13 0.51 -0.51 4.01 4.01 2b8vA1 SER 113 H -0.33 0.43 -0.12 -0.55 8.46 7.89 2b8vA1 SER 113 HA -0.05 0.21 0.50 -0.75 4.49 4.39 2b8vA1 SER 113 HB2 -0.26 0.14 0.13 -0.04 3.95 3.93 2b8vA1 SER 113 HB3 -0.36 -0.01 0.07 -0.04 3.93 3.59 2b8vA1 ASN 114 H -0.24 0.05 -0.08 -0.55 8.53 7.71 2b8vA1 ASN 114 HA -0.08 -0.02 0.27 -0.75 4.76 4.18 2b8vA1 ASN 114 HB2 0.03 0.03 -0.29 -0.04 2.88 2.61 2b8vA1 ASN 114 HB3 -0.02 0.14 0.13 -0.04 2.79 3.00 2b8vA1 ASN 114 HD21 0.06 -0.01 -0.00 -0.04 7.03 7.03 2b8vA1 ASN 114 HD22 0.24 0.03 -0.02 -0.04 7.74 7.94 2b8vA1 TRP 115 H -0.56 0.09 -0.31 -0.55 7.97 6.65 2b8vA1 TRP 115 HA -0.38 0.18 0.98 -0.75 4.62 4.64 2b8vA1 TRP 115 HB2 -0.08 -0.04 -0.02 -0.04 3.23 3.06 2b8vA1 TRP 115 HB3 -0.30 0.04 -0.22 -0.04 3.23 2.71 2b8vA1 TRP 115 HD1 0.10 0.17 -0.14 -0.04 7.22 7.30 2b8vA1 TRP 115 HE1 -0.04 0.44 0.12 -0.04 10.20 10.68 2b8vA1 TRP 115 HE3 0.04 -0.10 -0.25 -0.04 7.59 7.24 2b8vA1 TRP 115 HZ2 -0.22 0.07 -0.02 -0.04 7.44 7.23 2b8vA1 TRP 115 HZ3 -0.53 -0.08 -0.25 -0.04 7.13 6.23 2b8vA1 TRP 115 HH2 -1.00 0.11 -0.16 -0.04 7.19 6.10 2b8vA1 GLU 116 H 0.16 0.75 0.36 -0.55 8.60 9.33 2b8vA1 GLU 116 HA -0.06 0.16 0.96 -0.75 4.29 4.59 2b8vA1 GLU 116 HB2 0.02 -0.02 0.11 -0.04 2.09 2.15 2b8vA1 GLU 116 HB3 -0.04 0.01 0.25 -0.04 1.99 2.17 2b8vA1 GLU 116 HG2 -0.07 0.25 0.10 -0.04 2.34 2.57 2b8vA1 GLU 116 HG3 -0.14 0.03 -0.24 -0.04 2.34 1.94 2b8vA1 GLY 117 H 0.49 0.27 0.25 -0.55 8.43 8.89 2b8vA1 GLY 117 HA2 0.35 0.04 0.59 -0.51 4.01 4.48 2b8vA1 GLY 117 HA3 0.14 0.09 0.50 -0.51 4.01 4.22 2b8vA1 ILE 118 H 0.09 0.75 0.39 -0.55 8.25 8.93 2b8vA1 ILE 118 HA -0.07 0.17 0.95 -0.75 4.18 4.48 2b8vA1 ILE 118 HB 0.10 0.03 -0.20 -0.04 1.89 1.78 2b8vA1 ILE 118 HG12 0.11 -0.02 -0.34 -0.04 1.49 1.20 2b8vA1 ILE 118 HG13 -0.11 0.08 -0.06 -0.04 1.21 1.08 2b8vA1 ILE 118 HG23 0.30 0.01 -0.04 -0.04 0.93 1.16 2b8vA1 ILE 118 HD13 -0.03 -0.02 -0.14 -0.04 0.88 0.65 2b8vA1 LEU 119 H -0.03 0.88 0.23 -0.55 8.37 8.91 2b8vA1 LEU 119 HA 0.16 0.10 0.95 -0.75 4.35 4.80 2b8vA1 LEU 119 HB2 -0.16 0.01 -0.11 -0.04 1.64 1.34 2b8vA1 LEU 119 HB3 -0.13 0.02 0.11 -0.04 1.64 1.61 2b8vA1 LEU 119 HG -0.16 -0.04 -0.37 -0.04 1.64 1.03 2b8vA1 LEU 119 HD13 -0.52 -0.01 -0.10 -0.04 0.93 0.27 2b8vA1 LEU 119 HD23 -0.31 0.00 -0.12 -0.04 0.89 0.42 2b8vA1 GLY 120 H 0.16 0.43 -0.20 -0.55 8.43 8.28 2b8vA1 GLY 120 HA2 0.07 0.13 0.49 -0.51 4.01 4.19 2b8vA1 GLY 120 HA3 0.13 -0.23 -0.12 -0.51 4.01 3.28 2b8vA1 LEU 121 H -0.02 0.57 0.39 -0.55 8.37 8.76 2b8vA1 LEU 121 HA -0.06 0.07 0.78 -0.75 4.35 4.39 2b8vA1 LEU 121 HB2 -0.20 -0.08 -0.04 -0.04 1.64 1.29 2b8vA1 LEU 121 HB3 -0.44 -0.02 0.08 -0.04 1.64 1.22 2b8vA1 LEU 121 HG -0.23 0.12 -0.26 -0.04 1.64 1.23 2b8vA1 LEU 121 HD13 -0.68 -0.03 -0.14 -0.04 0.93 0.04 2b8vA1 LEU 121 HD23 -0.42 -0.01 -0.10 -0.04 0.89 0.32 2b8vA1 ALA 122 H 0.02 0.52 0.05 -0.55 8.40 8.44 2b8vA1 ALA 122 HA -0.44 0.05 0.50 -0.75 4.34 3.70 2b8vA1 ALA 122 HB3 -0.07 0.05 -0.09 -0.04 1.41 1.27 2b8vA1 TYR 123 H -0.08 0.45 0.11 -0.55 8.29 8.22 2b8vA1 TYR 123 HA 0.01 0.16 0.53 -0.75 4.56 4.50 2b8vA1 TYR 123 HB2 -0.01 0.02 -0.15 -0.04 3.06 2.88 2b8vA1 TYR 123 HB3 0.02 -0.07 0.07 -0.04 2.98 2.96 2b8vA1 TYR 123 HD2 -0.10 0.08 -0.13 -0.04 7.15 6.95 2b8vA1 TYR 123 HE2 -0.15 0.02 -0.06 -0.04 6.85 6.62 2b8vA1 ALA 124 H 0.19 0.15 0.15 -0.55 8.40 8.35 2b8vA1 ALA 124 HA 0.08 0.15 0.35 -0.75 4.34 4.16 2b8vA1 ALA 124 HB3 0.08 0.06 0.11 -0.04 1.41 1.61 2b8vA1 GLU 125 H 0.11 0.09 -0.26 -0.55 8.60 7.99 2b8vA1 GLU 125 HA 0.05 0.01 0.38 -0.75 4.29 3.98 2b8vA1 GLU 125 HB2 0.06 0.06 0.15 -0.04 2.09 2.32 2b8vA1 GLU 125 HB3 0.17 -0.06 0.14 -0.04 1.99 2.19 2b8vA1 GLU 125 HG2 0.25 -0.06 -0.07 -0.04 2.34 2.41 2b8vA1 GLU 125 HG3 0.12 0.06 -0.31 -0.04 2.34 2.17 2b8vA1 ILE 126 H 0.02 0.27 -0.33 -0.55 8.25 7.66 2b8vA1 ILE 126 HA 0.00 0.24 0.79 -0.75 4.18 4.46 2b8vA1 ILE 126 HB -0.19 -0.00 0.06 -0.04 1.89 1.72 2b8vA1 ILE 126 HG12 -0.15 0.13 -0.18 -0.04 1.49 1.24 2b8vA1 ILE 126 HG13 -0.09 -0.04 -0.42 -0.04 1.21 0.62 2b8vA1 ILE 126 HG23 -0.41 -0.03 -0.18 -0.04 0.93 0.27 2b8vA1 ILE 126 HD13 -0.50 -0.03 -0.26 -0.04 0.88 0.04 2b8vA1 ALA 127 H 0.03 0.47 -0.46 -0.55 8.40 7.89 2b8vA1 ALA 127 HA 0.02 -0.12 0.34 -0.75 4.34 3.84 2b8vA1 ALA 127 HB3 0.06 0.03 -0.04 -0.04 1.41 1.41 2b8vA1 ARG 128 H 0.02 0.09 0.07 -0.55 8.46 8.09 2b8vA1 ARG 128 HA -0.01 0.21 0.58 -0.75 4.34 4.36 2b8vA1 ARG 128 HB2 -0.08 -0.10 -0.02 -0.04 1.90 1.65 2b8vA1 ARG 128 HB3 -0.07 0.03 0.08 -0.04 1.80 1.80 2b8vA1 ARG 128 HG2 -0.11 -0.05 -0.12 -0.04 1.67 1.36 2b8vA1 ARG 128 HG3 -0.24 0.01 0.06 -0.04 1.67 1.46 2b8vA1 ARG 128 HD2 -0.06 -0.00 0.03 -0.04 3.22 3.14 2b8vA1 ARG 128 HD3 -0.04 0.13 -0.28 -0.04 3.22 2.99 2b8vA1 PRO 129 HA 0.00 0.06 0.41 -0.51 4.44 4.40 2b8vA1 PRO 129 HB2 0.02 0.00 0.01 -0.04 2.28 2.27 2b8vA1 PRO 129 HB3 0.02 0.02 0.11 -0.04 2.02 2.13 2b8vA1 PRO 129 HG2 0.04 0.06 0.10 -0.04 2.03 2.19 2b8vA1 PRO 129 HG3 0.04 0.01 0.14 -0.04 2.03 2.18 2b8vA1 PRO 129 HD2 0.05 0.02 0.23 -0.04 3.68 3.94 2b8vA1 PRO 129 HD3 0.07 0.16 0.41 -0.04 3.65 4.25 2b8vA1 ASP 130 H 0.03 0.23 -0.10 -0.55 8.40 8.02 2b8vA1 ASP 130 HA 0.02 0.29 0.53 -0.75 4.63 4.71 2b8vA1 ASP 130 HB2 0.02 -0.08 0.17 -0.04 2.71 2.77 2b8vA1 ASP 130 HB3 0.01 0.17 -0.08 -0.04 2.70 2.77 2b8vA1 ASP 131 H 0.02 0.15 0.11 -0.55 8.40 8.13 2b8vA1 ASP 131 HA 0.04 0.37 0.38 -0.75 4.63 4.67 2b8vA1 ASP 131 HB2 0.03 -0.10 -0.09 -0.04 2.71 2.52 2b8vA1 ASP 131 HB3 0.03 0.11 0.01 -0.04 2.70 2.81 2b8vA1 SER 132 H 0.03 0.00 -0.61 -0.55 8.46 7.34 2b8vA1 SER 132 HA 0.03 0.12 0.50 -0.75 4.49 4.39 2b8vA1 SER 132 HB2 0.02 0.02 0.04 -0.04 3.95 3.99 2b8vA1 SER 132 HB3 0.02 -0.03 -0.01 -0.04 3.93 3.87 2b8vA1 LEU 133 H 0.04 0.38 -0.30 -0.55 8.37 7.95 2b8vA1 LEU 133 HA 0.06 0.04 0.55 -0.75 4.35 4.24 2b8vA1 LEU 133 HB2 0.06 -0.09 -0.03 -0.04 1.64 1.54 2b8vA1 LEU 133 HB3 0.07 0.06 0.02 -0.04 1.64 1.75 2b8vA1 LEU 133 HG 0.10 0.07 -0.23 -0.04 1.64 1.53 2b8vA1 LEU 133 HD13 0.08 -0.02 -0.01 -0.04 0.93 0.94 2b8vA1 LEU 133 HD23 0.11 -0.02 0.02 -0.04 0.89 0.97 2b8vA1 GLU 134 H 0.05 0.18 0.14 -0.55 8.60 8.43 2b8vA1 GLU 134 HA 0.06 0.08 0.35 -0.75 4.29 4.02 2b8vA1 GLU 134 HB2 0.04 0.05 0.11 -0.04 2.09 2.25 2b8vA1 GLU 134 HB3 0.04 -0.07 0.15 -0.04 1.99 2.08 2b8vA1 GLU 134 HG2 0.02 0.10 -0.19 -0.04 2.34 2.24 2b8vA1 GLU 134 HG3 0.04 -0.03 -0.01 -0.04 2.34 2.30 2b8vA1 PRO 135 HA 0.14 0.16 0.55 -0.51 4.44 4.77 2b8vA1 PRO 135 HB2 0.10 -0.22 0.02 -0.04 2.28 2.14 2b8vA1 PRO 135 HB3 0.10 0.24 0.13 -0.04 2.02 2.44 2b8vA1 PRO 135 HG2 0.08 -0.10 -0.05 -0.04 2.03 1.91 2b8vA1 PRO 135 HG3 0.08 0.19 0.01 -0.04 2.03 2.27 2b8vA1 PRO 135 HD2 0.08 -0.04 0.21 -0.04 3.68 3.89 2b8vA1 PRO 135 HD3 0.08 0.23 0.23 -0.04 3.65 4.15 2b8vA1 PHE 136 H 0.24 0.23 0.15 -0.55 8.34 8.41 2b8vA1 PHE 136 HA -0.01 0.08 0.37 -0.75 4.62 4.31 2b8vA1 PHE 136 HB2 -0.16 0.06 0.11 -0.04 3.15 3.11 2b8vA1 PHE 136 HB3 -0.10 0.02 0.07 -0.04 3.06 3.00 2b8vA1 PHE 136 HD2 -0.13 0.01 -0.15 -0.04 7.28 6.97 2b8vA1 PHE 136 HE2 -0.12 0.03 -0.15 -0.04 7.38 7.09 2b8vA1 PHE 136 HZ -0.13 0.04 -0.17 -0.04 7.32 7.01 2b8vA1 PHE 137 H 0.25 0.22 -0.11 -0.55 8.34 8.14 2b8vA1 PHE 137 HA -0.26 0.06 0.34 -0.75 4.62 4.01 2b8vA1 PHE 137 HB2 -0.04 0.03 0.06 -0.04 3.15 3.17 2b8vA1 PHE 137 HB3 -0.01 0.07 -0.07 -0.04 3.06 3.01 2b8vA1 PHE 137 HD2 0.01 0.00 -0.12 -0.04 7.28 7.13 2b8vA1 PHE 137 HE2 0.09 -0.06 -0.08 -0.04 7.38 7.30 2b8vA1 PHE 137 HZ 0.19 0.11 -0.14 -0.04 7.32 7.44 2b8vA1 ASP 138 H 0.07 0.15 -0.40 -0.55 8.40 7.68 2b8vA1 ASP 138 HA 0.05 0.04 0.40 -0.75 4.63 4.37 2b8vA1 ASP 138 HB2 0.04 0.20 0.07 -0.04 2.71 2.98 2b8vA1 ASP 138 HB3 0.04 0.00 -0.01 -0.04 2.70 2.69 2b8vA1 SER 139 H -0.13 0.44 -0.21 -0.55 8.46 8.02 2b8vA1 SER 139 HA -0.10 0.02 0.40 -0.75 4.49 4.06 2b8vA1 SER 139 HB2 -0.29 0.10 0.11 -0.04 3.95 3.83 2b8vA1 SER 139 HB3 -0.13 0.03 -0.00 -0.04 3.93 3.78 2b8vA1 LEU 140 H -0.56 0.55 -0.12 -0.55 8.37 7.69 2b8vA1 LEU 140 HA -0.35 -0.02 0.29 -0.75 4.35 3.51 2b8vA1 LEU 140 HB2 -0.92 -0.02 0.01 -0.04 1.64 0.67 2b8vA1 LEU 140 HB3 -0.80 0.10 0.11 -0.04 1.64 1.01 2b8vA1 LEU 140 HG -0.38 0.05 -0.31 -0.04 1.64 0.96 2b8vA1 LEU 140 HD13 -0.18 -0.02 -0.09 -0.04 0.93 0.61 2b8vA1 LEU 140 HD23 -0.44 -0.01 -0.08 -0.04 0.89 0.32 2b8vA1 VAL 141 H -0.34 0.49 -0.21 -0.55 8.24 7.62 2b8vA1 VAL 141 HA -0.15 0.14 0.37 -0.75 4.13 3.74 2b8vA1 VAL 141 HB -0.07 0.04 0.14 -0.04 2.12 2.19 2b8vA1 VAL 141 HG13 0.02 -0.01 -0.12 -0.04 0.97 0.82 2b8vA1 VAL 141 HG23 -0.21 0.02 -0.06 -0.04 0.95 0.66 2b8vA1 LYS 142 H -0.09 0.53 -0.06 -0.55 8.42 8.24 2b8vA1 LYS 142 HA -0.02 0.04 0.47 -0.75 4.32 4.05 2b8vA1 LYS 142 HB2 -0.05 0.05 0.16 -0.04 1.87 1.99 2b8vA1 LYS 142 HB3 -0.02 -0.06 0.02 -0.04 1.79 1.69 2b8vA1 LYS 142 HG2 -0.01 0.11 0.08 -0.04 1.46 1.60 2b8vA1 LYS 142 HG3 0.00 -0.08 0.01 -0.04 1.46 1.35 2b8vA1 LYS 142 HD2 0.01 -0.02 0.04 -0.04 1.69 1.68 2b8vA1 LYS 142 HD3 0.00 0.05 -0.04 -0.04 1.68 1.65 2b8vA1 LYS 142 HE2 0.02 -0.02 -0.01 -0.04 2.99 2.95 2b8vA1 LYS 142 HE3 0.03 -0.02 -0.00 -0.04 2.99 2.96 2b8vA1 GLN 143 H -0.10 0.54 -0.14 -0.55 8.47 8.23 2b8vA1 GLN 143 HA -0.04 0.09 0.74 -0.75 4.36 4.40 2b8vA1 GLN 143 HB2 -0.10 0.09 0.08 -0.04 2.15 2.17 2b8vA1 GLN 143 HB3 -0.06 -0.08 0.11 -0.04 2.02 1.95 2b8vA1 GLN 143 HG2 -0.04 -0.04 0.04 -0.04 2.40 2.32 2b8vA1 GLN 143 HG3 -0.06 0.01 0.02 -0.04 2.39 2.32 2b8vA1 GLN 143 HE21 -0.03 0.47 0.16 -0.04 6.97 7.53 2b8vA1 GLN 143 HE22 -0.05 -0.04 0.07 -0.04 7.69 7.63 2b8vA1 THR 144 H -0.07 0.41 -0.18 -0.55 8.28 7.88 2b8vA1 THR 144 HA -0.12 0.18 0.98 -0.75 4.39 4.68 2b8vA1 THR 144 HB -0.09 -0.14 0.15 -0.04 4.32 4.20 2b8vA1 THR 144 HG23 -0.10 0.02 -0.18 -0.04 1.22 0.92 2b8vA1 HIS 145 H -0.05 0.09 0.13 -0.55 8.41 8.04 2b8vA1 HIS 145 HA -0.01 0.22 0.64 -0.75 4.63 4.72 2b8vA1 HIS 145 HB2 -0.01 -0.03 0.08 -0.04 3.26 3.26 2b8vA1 HIS 145 HB3 0.00 -0.02 0.13 -0.04 3.20 3.27 2b8vA1 HIS 145 HD2 -0.01 0.15 -0.29 -0.04 6.97 6.77 2b8vA1 HIS 145 HE1 -0.01 -0.03 0.00 -0.04 7.75 7.68 2b8vA1 VAL 146 H 0.01 0.01 -0.29 -0.55 8.24 7.42 2b8vA1 VAL 146 HA 0.07 0.05 0.38 -0.75 4.13 3.87 2b8vA1 VAL 146 HB -0.10 0.04 -0.09 -0.04 2.12 1.92 2b8vA1 VAL 146 HG13 0.03 0.05 -0.17 -0.04 0.97 0.83 2b8vA1 VAL 146 HG23 -0.01 -0.03 -0.04 -0.04 0.95 0.84 2b8vA1 PRO 147 HA 0.07 0.05 0.46 -0.51 4.44 4.50 2b8vA1 PRO 147 HB2 0.13 -0.00 0.06 -0.04 2.28 2.42 2b8vA1 PRO 147 HB3 0.09 -0.04 0.07 -0.04 2.02 2.09 2b8vA1 PRO 147 HG2 0.13 0.07 0.17 -0.04 2.03 2.36 2b8vA1 PRO 147 HG3 0.08 0.06 0.14 -0.04 2.03 2.27 2b8vA1 PRO 147 HD2 0.15 0.04 0.33 -0.04 3.68 4.17 2b8vA1 PRO 147 HD3 0.10 0.18 0.29 -0.04 3.65 4.17 2b8vA1 ASN 148 H 0.10 0.13 0.12 -0.55 8.53 8.34 2b8vA1 ASN 148 HA 0.33 0.15 0.48 -0.75 4.76 4.97 2b8vA1 ASN 148 HB2 0.13 0.12 0.13 -0.04 2.88 3.21 2b8vA1 ASN 148 HB3 0.14 -0.08 0.23 -0.04 2.79 3.03 2b8vA1 ASN 148 HD21 0.23 0.02 -0.11 -0.04 7.03 7.13 2b8vA1 ASN 148 HD22 0.15 0.04 -0.07 -0.04 7.74 7.81 2b8vA1 LEU 149 H 0.41 0.71 0.13 -0.55 8.37 9.08 2b8vA1 LEU 149 HA 0.07 0.11 0.71 -0.75 4.35 4.49 2b8vA1 LEU 149 HB2 0.06 -0.00 -0.23 -0.04 1.64 1.43 2b8vA1 LEU 149 HB3 0.09 0.00 -0.30 -0.04 1.64 1.38 2b8vA1 LEU 149 HG -0.09 0.09 -0.23 -0.04 1.64 1.36 2b8vA1 LEU 149 HD13 -0.02 -0.02 -0.19 -0.04 0.93 0.66 2b8vA1 LEU 149 HD23 -0.06 -0.02 -0.57 -0.04 0.89 0.20 2b8vA1 PHE 150 H -0.34 0.52 0.33 -0.55 8.34 8.31 2b8vA1 PHE 150 HA 0.00 0.20 0.88 -0.75 4.62 4.95 2b8vA1 PHE 150 HB2 -0.06 0.09 0.13 -0.04 3.15 3.27 2b8vA1 PHE 150 HB3 -0.08 -0.01 -0.00 -0.04 3.06 2.93 2b8vA1 PHE 150 HD2 -0.74 0.02 -0.19 -0.04 7.28 6.33 2b8vA1 PHE 150 HE2 -0.77 0.02 -0.05 -0.04 7.38 6.54 2b8vA1 PHE 150 HZ -1.15 -0.02 -0.04 -0.04 7.32 6.08 2b8vA1 SER 151 H 0.11 0.70 0.41 -0.55 8.46 9.13 2b8vA1 SER 151 HA -0.19 0.15 1.14 -0.75 4.49 4.83 2b8vA1 SER 151 HB2 -0.72 0.04 -0.07 -0.04 3.95 3.15 2b8vA1 SER 151 HB3 -0.37 -0.08 -0.08 -0.04 3.93 3.36 2b8vA1 LEU 152 H -0.13 0.72 0.41 -0.55 8.37 8.83 2b8vA1 LEU 152 HA 0.09 0.36 1.25 -0.75 4.35 5.29 2b8vA1 LEU 152 HB2 0.12 -0.03 0.15 -0.04 1.64 1.84 2b8vA1 LEU 152 HB3 0.00 0.03 -0.04 -0.04 1.64 1.59 2b8vA1 LEU 152 HG 0.20 -0.07 -0.30 -0.04 1.64 1.43 2b8vA1 LEU 152 HD13 -0.04 -0.01 -0.08 -0.04 0.93 0.76 2b8vA1 LEU 152 HD23 -0.01 0.03 -0.04 -0.04 0.89 0.84 2b8vA1 GLN 153 H 0.07 0.65 0.30 -0.55 8.47 8.95 2b8vA1 GLN 153 HA 0.13 0.28 0.97 -0.75 4.36 5.00 2b8vA1 GLN 153 HB2 0.20 -0.04 0.03 -0.04 2.15 2.30 2b8vA1 GLN 153 HB3 0.05 -0.18 0.30 -0.04 2.02 2.15 2b8vA1 GLN 153 HG2 0.03 0.11 -0.19 -0.04 2.40 2.32 2b8vA1 GLN 153 HG3 0.07 0.06 0.04 -0.04 2.39 2.51 2b8vA1 GLN 153 HE21 -0.05 0.04 -0.01 -0.04 6.97 6.91 2b8vA1 GLN 153 HE22 -0.04 0.24 0.17 -0.04 7.69 8.02 2b8vA1 LEU 154 H -0.08 0.36 0.06 -0.55 8.37 8.17 2b8vA1 LEU 154 HA -0.46 0.16 0.82 -0.75 4.35 4.11 2b8vA1 LEU 154 HB2 -0.29 0.01 -0.02 -0.04 1.64 1.30 2b8vA1 LEU 154 HB3 -1.28 0.06 -0.05 -0.04 1.64 0.33 2b8vA1 LEU 154 HG -0.20 -0.05 -0.15 -0.04 1.64 1.21 2b8vA1 LEU 154 HD13 -0.22 -0.02 -0.03 -0.04 0.93 0.62 2b8vA1 LEU 154 HD23 -0.52 0.01 -0.18 -0.04 0.89 0.17 2b8vA1 CYS 155 H -0.01 0.69 0.30 -0.55 8.50 8.93 2b8vA1 CYS 155 HA 0.03 0.06 0.71 -0.75 4.58 4.62 2b8vA1 CYS 155 HB2 0.07 0.11 -0.08 -0.04 2.97 3.03 2b8vA1 CYS 155 HB3 0.03 0.11 -0.15 -0.04 2.97 2.92 2b8vA1 GLY 156 H 0.06 0.12 0.16 -0.55 8.43 8.22 2b8vA1 GLY 156 HA2 0.17 0.10 0.48 -0.51 4.01 4.25 2b8vA1 GLY 156 HA3 0.08 -0.02 0.37 -0.51 4.01 3.93 2b8vA1 ALA 157 H 0.05 0.10 0.10 -0.55 8.40 8.11 2b8vA1 ALA 157 HA 0.02 0.23 0.56 -0.75 4.34 4.39 2b8vA1 ALA 157 HB3 0.03 0.01 0.08 -0.04 1.41 1.50 2b8vA1 GLY 171 HA2 0.09 0.03 0.26 -0.51 4.01 3.87 2b8vA1 GLY 171 HA3 0.03 -0.09 -0.07 -0.51 4.01 3.37 2b8vA1 GLY 172 H 0.02 0.40 0.24 -0.55 8.43 8.54 2b8vA1 GLY 172 HA2 0.01 -0.01 0.37 -0.51 4.01 3.86 2b8vA1 GLY 172 HA3 -0.02 0.19 0.82 -0.51 4.01 4.50 2b8vA1 SER 173 H 0.01 0.53 0.40 -0.55 8.46 8.85 2b8vA1 SER 173 HA 0.03 0.12 1.09 -0.75 4.49 4.97 2b8vA1 SER 173 HB2 0.04 -0.03 0.09 -0.04 3.95 4.01 2b8vA1 SER 173 HB3 0.05 0.11 -0.01 -0.04 3.93 4.04 2b8vA1 MET 174 H 0.05 0.36 0.11 -0.55 8.47 8.45 2b8vA1 MET 174 HA 0.08 0.33 1.06 -0.75 4.52 5.23 2b8vA1 MET 174 HB2 0.01 -0.03 -0.05 -0.04 2.15 2.04 2b8vA1 MET 174 HB3 0.03 0.04 0.13 -0.04 2.03 2.20 2b8vA1 MET 174 HG2 0.05 -0.03 -0.27 -0.04 2.63 2.34 2b8vA1 MET 174 HG3 0.06 0.04 -0.06 -0.04 2.56 2.56 2b8vA1 MET 174 HE3 -0.03 0.01 -0.06 -0.04 2.10 1.98 2b8vA1 ILE 175 H 0.11 0.45 0.15 -0.55 8.25 8.41 2b8vA1 ILE 175 HA 0.08 0.15 0.68 -0.75 4.18 4.34 2b8vA1 ILE 175 HB -0.02 0.03 0.11 -0.04 1.89 1.96 2b8vA1 ILE 175 HG12 0.13 0.03 -0.16 -0.04 1.49 1.44 2b8vA1 ILE 175 HG13 0.04 -0.16 -0.13 -0.04 1.21 0.92 2b8vA1 ILE 175 HG23 -0.40 -0.04 -0.44 -0.04 0.93 0.01 2b8vA1 ILE 175 HD13 0.07 0.05 -0.31 -0.04 0.88 0.65 2b8vA1 ILE 176 H 0.16 0.26 0.15 -0.55 8.25 8.27 2b8vA1 ILE 176 HA 0.26 0.12 1.08 -0.75 4.18 4.89 2b8vA1 ILE 176 HB 0.18 0.00 0.18 -0.04 1.89 2.21 2b8vA1 ILE 176 HG12 0.21 -0.02 -0.10 -0.04 1.49 1.53 2b8vA1 ILE 176 HG13 0.14 0.02 -0.36 -0.04 1.21 0.96 2b8vA1 ILE 176 HG23 0.28 0.00 -0.07 -0.04 0.93 1.10 2b8vA1 ILE 176 HD13 0.11 -0.00 -0.01 -0.04 0.88 0.94 2b8vA1 GLY 177 H 0.26 0.77 0.43 -0.55 8.43 9.35 2b8vA1 GLY 177 HA2 0.20 0.19 0.42 -0.51 4.01 4.30 2b8vA1 GLY 177 HA3 0.25 0.08 0.73 -0.51 4.01 4.56 2b8vA1 GLY 178 H -0.10 0.21 -0.34 -0.55 8.43 7.65 2b8vA1 GLY 178 HA2 -0.09 0.05 0.21 -0.51 4.01 3.66 2b8vA1 GLY 178 HA3 -0.50 0.07 0.26 -0.51 4.01 3.33 2b8vA1 ILE 179 H -0.33 0.24 0.07 -0.55 8.25 7.68 2b8vA1 ILE 179 HA -0.08 0.17 0.73 -0.75 4.18 4.25 2b8vA1 ILE 179 HB -0.07 -0.00 -0.09 -0.04 1.89 1.68 2b8vA1 ILE 179 HG12 -0.13 0.05 -0.25 -0.04 1.49 1.12 2b8vA1 ILE 179 HG13 -0.10 -0.09 -0.60 -0.04 1.21 0.38 2b8vA1 ILE 179 HG23 0.24 -0.01 -0.31 -0.04 0.93 0.81 2b8vA1 ILE 179 HD13 -0.03 0.01 -0.19 -0.04 0.88 0.63 2b8vA1 ASP 180 H 0.07 0.27 0.02 -0.55 8.40 8.21 2b8vA1 ASP 180 HA -0.10 0.13 0.83 -0.75 4.63 4.74 2b8vA1 ASP 180 HB2 -0.00 0.07 -0.13 -0.04 2.71 2.60 2b8vA1 ASP 180 HB3 -0.08 0.03 0.05 -0.04 2.70 2.66 2b8vA1 HIS 181 H -0.20 0.18 0.05 -0.55 8.41 7.91 2b8vA1 HIS 181 HA -0.05 0.14 0.38 -0.75 4.63 4.34 2b8vA1 HIS 181 HB2 -0.05 -0.00 0.04 -0.04 3.26 3.21 2b8vA1 HIS 181 HB3 -0.18 0.10 0.09 -0.04 3.20 3.17 2b8vA1 HIS 181 HD2 0.05 -0.01 0.01 -0.04 6.97 6.98 2b8vA1 HIS 181 HE1 0.15 0.01 -0.11 -0.04 7.75 7.76 2b8vA1 SER 182 H -0.06 -0.01 -0.37 -0.55 8.46 7.47 2b8vA1 SER 182 HA -0.12 0.21 0.58 -0.75 4.49 4.41 2b8vA1 SER 182 HB2 -0.05 0.08 0.08 -0.04 3.95 4.01 2b8vA1 SER 182 HB3 -0.03 -0.05 0.03 -0.04 3.93 3.84 2b8vA1 LEU 183 H -0.22 0.24 -0.32 -0.55 8.37 7.52 2b8vA1 LEU 183 HA -0.15 0.16 0.56 -0.75 4.35 4.17 2b8vA1 LEU 183 HB2 -1.05 0.07 -0.01 -0.04 1.64 0.61 2b8vA1 LEU 183 HB3 -0.42 -0.03 0.09 -0.04 1.64 1.24 2b8vA1 LEU 183 HG -0.20 -0.10 -0.06 -0.04 1.64 1.25 2b8vA1 LEU 183 HD13 -0.11 -0.01 -0.07 -0.04 0.93 0.70 2b8vA1 LEU 183 HD23 -0.08 0.02 -0.14 -0.04 0.89 0.65 2b8vA1 TYR 184 H -0.31 0.33 -0.36 -0.55 8.29 7.40 2b8vA1 TYR 184 HA -0.02 0.12 0.76 -0.75 4.56 4.66 2b8vA1 TYR 184 HB2 0.09 0.12 -0.11 -0.04 3.06 3.13 2b8vA1 TYR 184 HB3 0.00 -0.08 -0.35 -0.04 2.98 2.50 2b8vA1 TYR 184 HD2 -0.13 0.08 -0.36 -0.04 7.15 6.70 2b8vA1 TYR 184 HE2 0.13 -0.01 -0.22 -0.04 6.85 6.71 2b8vA1 THR 185 H 0.17 0.53 0.17 -0.55 8.28 8.61 2b8vA1 THR 185 HA -0.08 0.18 0.88 -0.75 4.39 4.61 2b8vA1 THR 185 HB 0.02 -0.08 0.09 -0.04 4.32 4.30 2b8vA1 THR 185 HG23 -0.01 0.01 -0.17 -0.04 1.22 1.00 2b8vA1 GLY 186 H 0.03 0.08 0.14 -0.55 8.43 8.14 2b8vA1 GLY 186 HA2 0.08 -0.00 0.37 -0.51 4.01 3.95 2b8vA1 GLY 186 HA3 0.13 0.07 0.52 -0.51 4.01 4.22 2b8vA1 SER 187 H 0.17 0.13 0.22 -0.55 8.46 8.44 2b8vA1 SER 187 HA 0.09 0.17 0.86 -0.75 4.49 4.86 2b8vA1 SER 187 HB2 -0.01 0.01 0.01 -0.04 3.95 3.92 2b8vA1 SER 187 HB3 -0.26 0.05 0.04 -0.04 3.93 3.72 2b8vA1 LEU 188 H -0.14 0.11 0.12 -0.55 8.37 7.91 2b8vA1 LEU 188 HA -0.22 0.31 0.66 -0.75 4.35 4.36 2b8vA1 LEU 188 HB2 -0.20 -0.04 0.07 -0.04 1.64 1.43 2b8vA1 LEU 188 HB3 -0.59 -0.03 -0.15 -0.04 1.64 0.82 2b8vA1 LEU 188 HG -0.71 0.05 -0.22 -0.04 1.64 0.71 2b8vA1 LEU 188 HD13 -0.24 -0.02 -0.15 -0.04 0.93 0.48 2b8vA1 LEU 188 HD23 -0.52 0.00 -0.36 -0.04 0.89 -0.03 2b8vA1 TRP 189 H -0.18 0.63 0.35 -0.55 7.97 8.23 2b8vA1 TRP 189 HA -0.37 0.11 0.84 -0.75 4.62 4.45 2b8vA1 TRP 189 HB2 -0.89 0.04 0.07 -0.04 3.23 2.42 2b8vA1 TRP 189 HB3 -1.92 0.01 -0.10 -0.04 3.23 1.18 2b8vA1 TRP 189 HD1 -0.16 0.20 -0.21 -0.04 7.22 7.01 2b8vA1 TRP 189 HE1 -0.06 0.01 -0.11 -0.04 10.20 10.00 2b8vA1 TRP 189 HE3 -0.25 0.01 -0.05 -0.04 7.59 7.25 2b8vA1 TRP 189 HZ2 -0.06 0.10 -0.12 -0.04 7.44 7.32 2b8vA1 TRP 189 HZ3 0.00 -0.02 -0.03 -0.04 7.13 7.04 2b8vA1 TRP 189 HH2 -0.05 0.06 -0.30 -0.04 7.19 6.86 2b8vA1 TYR 190 H 0.00 0.13 0.11 -0.55 8.29 7.98 2b8vA1 TYR 190 HA 0.01 0.37 1.10 -0.75 4.56 5.29 2b8vA1 TYR 190 HB2 -0.05 -0.05 -0.03 -0.04 3.06 2.89 2b8vA1 TYR 190 HB3 -0.01 0.07 -0.21 -0.04 2.98 2.79 2b8vA1 TYR 190 HD2 -0.16 0.01 -0.35 -0.04 7.15 6.61 2b8vA1 TYR 190 HE2 -0.19 0.01 -0.17 -0.04 6.85 6.46 2b8vA1 THR 191 H 0.30 0.59 0.33 -0.55 8.28 8.96 2b8vA1 THR 191 HA 0.34 0.37 0.90 -0.75 4.39 5.25 2b8vA1 THR 191 HB 0.41 -0.08 -0.07 -0.04 4.32 4.55 2b8vA1 THR 191 HG23 0.25 0.03 -0.03 -0.04 1.22 1.43 2b8vA1 PRO 192 HA 0.12 0.18 0.63 -0.51 4.44 4.85 2b8vA1 PRO 192 HB2 0.10 -0.07 -0.08 -0.04 2.28 2.18 2b8vA1 PRO 192 HB3 0.08 0.11 0.03 -0.04 2.02 2.20 2b8vA1 PRO 192 HG2 0.10 0.01 -0.01 -0.04 2.03 2.09 2b8vA1 PRO 192 HG3 0.10 0.02 -0.06 -0.04 2.03 2.05 2b8vA1 PRO 192 HD2 0.13 -0.01 0.12 -0.04 3.68 3.88 2b8vA1 PRO 192 HD3 0.19 0.22 -0.07 -0.04 3.65 3.94 2b8vA1 ILE 193 H 0.12 0.71 0.15 -0.55 8.25 8.68 2b8vA1 ILE 193 HA 0.19 0.18 0.61 -0.75 4.18 4.40 2b8vA1 ILE 193 HB 0.14 0.03 -0.02 -0.04 1.89 2.00 2b8vA1 ILE 193 HG12 0.28 0.01 -0.19 -0.04 1.49 1.55 2b8vA1 ILE 193 HG13 0.17 -0.06 -0.45 -0.04 1.21 0.83 2b8vA1 ILE 193 HG23 0.20 -0.05 -0.20 -0.04 0.93 0.84 2b8vA1 ILE 193 HD13 0.37 -0.02 -0.20 -0.04 0.88 0.99 2b8vA1 ARG 194 H 0.16 0.56 0.16 -0.55 8.46 8.79 2b8vA1 ARG 194 HA 0.10 0.03 0.28 -0.75 4.34 3.99 2b8vA1 ARG 194 HB2 0.14 0.00 -0.07 -0.04 1.90 1.93 2b8vA1 ARG 194 HB3 0.20 -0.06 -0.03 -0.04 1.80 1.88 2b8vA1 ARG 194 HG2 0.09 -0.00 -0.14 -0.04 1.67 1.58 2b8vA1 ARG 194 HG3 0.09 -0.03 -0.02 -0.04 1.67 1.68 2b8vA1 ARG 194 HD2 0.13 -0.01 -0.09 -0.04 3.22 3.21 2b8vA1 ARG 194 HD3 0.18 0.00 -0.06 -0.04 3.22 3.30 2b8vA1 ARG 195 H 0.22 0.23 -0.03 -0.55 8.46 8.32 2b8vA1 ARG 195 HA 0.02 0.15 0.59 -0.75 4.34 4.34 2b8vA1 ARG 195 HB2 0.05 0.05 -0.28 -0.04 1.90 1.68 2b8vA1 ARG 195 HB3 0.12 -0.08 -0.08 -0.04 1.80 1.72 2b8vA1 ARG 195 HG2 -0.10 -0.07 0.09 -0.04 1.67 1.55 2b8vA1 ARG 195 HG3 -0.13 0.05 0.02 -0.04 1.67 1.57 2b8vA1 ARG 195 HD2 -0.51 -0.05 -0.24 -0.04 3.22 2.38 2b8vA1 ARG 195 HD3 -0.34 0.01 -0.06 -0.04 3.22 2.79 2b8vA1 GLU 196 H -0.10 0.18 0.07 -0.55 8.60 8.21 2b8vA1 GLU 196 HA -0.33 0.19 0.76 -0.75 4.29 4.16 2b8vA1 GLU 196 HB2 -0.37 -0.01 0.23 -0.04 2.09 1.90 2b8vA1 GLU 196 HB3 -1.52 -0.02 0.09 -0.04 1.99 0.50 2b8vA1 GLU 196 HG2 -0.62 0.02 -0.02 -0.04 2.34 1.68 2b8vA1 GLU 196 HG3 -0.21 -0.02 -0.09 -0.04 2.34 1.98 2b8vA1 TRP 197 H 0.39 0.59 0.10 -0.55 7.97 8.50 2b8vA1 TRP 197 HA -0.04 -0.04 0.54 -0.75 4.62 4.33 2b8vA1 TRP 197 HB2 -0.15 0.01 -0.01 -0.04 3.23 3.04 2b8vA1 TRP 197 HB3 -0.06 0.07 -0.09 -0.04 3.23 3.11 2b8vA1 TRP 197 HD1 0.03 0.24 -0.20 -0.04 7.22 7.25 2b8vA1 TRP 197 HE1 0.12 0.02 -0.00 -0.04 10.20 10.30 2b8vA1 TRP 197 HE3 -0.06 0.01 -0.09 -0.04 7.59 7.41 2b8vA1 TRP 197 HZ2 0.15 0.07 -0.01 -0.04 7.44 7.61 2b8vA1 TRP 197 HZ3 0.16 0.02 -0.05 -0.04 7.13 7.22 2b8vA1 TRP 197 HH2 0.15 0.05 -0.05 -0.04 7.19 7.30 2b8vA1 TYR 198 H -1.15 0.13 0.14 -0.55 8.29 6.86 2b8vA1 TYR 198 HA -0.20 0.16 0.64 -0.75 4.56 4.40 2b8vA1 TYR 198 HB2 -0.87 -0.01 -0.02 -0.04 3.06 2.12 2b8vA1 TYR 198 HB3 -0.27 -0.01 0.02 -0.04 2.98 2.68 2b8vA1 TYR 198 HD2 -1.31 -0.01 -0.04 -0.04 7.15 5.75 2b8vA1 TYR 198 HE2 -0.33 0.10 -0.04 -0.04 6.85 6.54 2b8vA1 TYR 199 H 0.25 0.26 0.12 -0.55 8.29 8.37 2b8vA1 TYR 199 HA 0.30 0.15 0.73 -0.75 4.56 4.99 2b8vA1 TYR 199 HB2 0.23 0.08 0.32 -0.04 3.06 3.65 2b8vA1 TYR 199 HB3 0.25 0.01 0.13 -0.04 2.98 3.33 2b8vA1 TYR 199 HD2 0.20 0.12 0.06 -0.04 7.15 7.50 2b8vA1 TYR 199 HE2 -0.01 -0.03 -0.18 -0.04 6.85 6.59 2b8vA1 GLU 200 H 0.22 0.42 -0.04 -0.55 8.60 8.66 2b8vA1 GLU 200 HA 0.12 0.25 0.79 -0.75 4.29 4.70 2b8vA1 GLU 200 HB2 0.27 -0.08 0.07 -0.04 2.09 2.32 2b8vA1 GLU 200 HB3 0.37 -0.12 0.19 -0.04 1.99 2.39 2b8vA1 GLU 200 HG2 0.22 0.13 -0.03 -0.04 2.34 2.62 2b8vA1 GLU 200 HG3 0.21 -0.03 0.18 -0.04 2.34 2.65 2b8vA1 VAL 201 H 0.12 0.62 0.38 -0.55 8.24 8.81 2b8vA1 VAL 201 HA 0.13 0.28 0.92 -0.75 4.13 4.71 2b8vA1 VAL 201 HB 0.08 -0.06 0.08 -0.04 2.12 2.18 2b8vA1 VAL 201 HG13 0.16 0.05 -0.27 -0.04 0.97 0.87 2b8vA1 VAL 201 HG23 0.06 -0.01 -0.29 -0.04 0.95 0.67 2b8vA1 ILE 202 H 0.06 0.24 0.16 -0.55 8.25 8.16 2b8vA1 ILE 202 HA 0.07 0.19 0.98 -0.75 4.18 4.67 2b8vA1 ILE 202 HB 0.06 -0.03 0.11 -0.04 1.89 1.99 2b8vA1 ILE 202 HG12 0.10 0.06 -0.08 -0.04 1.49 1.53 2b8vA1 ILE 202 HG13 0.10 -0.06 -0.47 -0.04 1.21 0.75 2b8vA1 ILE 202 HG23 0.06 0.01 -0.26 -0.04 0.93 0.70 2b8vA1 ILE 202 HD13 0.08 0.01 -0.06 -0.04 0.88 0.87 2b8vA1 ILE 203 H 0.06 0.22 0.06 -0.55 8.25 8.04 2b8vA1 ILE 203 HA -0.07 0.26 0.87 -0.75 4.18 4.48 2b8vA1 ILE 203 HB 0.05 0.01 0.05 -0.04 1.89 1.95 2b8vA1 ILE 203 HG12 -0.12 0.03 -0.11 -0.04 1.49 1.25 2b8vA1 ILE 203 HG13 -0.03 -0.08 -0.20 -0.04 1.21 0.86 2b8vA1 ILE 203 HG23 -0.19 -0.01 -0.07 -0.04 0.93 0.62 2b8vA1 ILE 203 HD13 -0.05 0.02 -0.05 -0.04 0.88 0.76 2b8vA1 VAL 204 H -0.02 0.65 0.26 -0.55 8.24 8.58 2b8vA1 VAL 204 HA 0.10 0.23 1.00 -0.75 4.13 4.70 2b8vA1 VAL 204 HB 0.01 -0.03 0.02 -0.04 2.12 2.08 2b8vA1 VAL 204 HG13 0.02 0.02 -0.22 -0.04 0.97 0.75 2b8vA1 VAL 204 HG23 -0.01 0.02 -0.32 -0.04 0.95 0.59 2b8vA1 ARG 205 H -0.04 0.28 0.16 -0.55 8.46 8.31 2b8vA1 ARG 205 HA 0.10 0.06 0.51 -0.75 4.34 4.26 2b8vA1 ARG 205 HB2 -0.27 0.20 -0.17 -0.04 1.90 1.62 2b8vA1 ARG 205 HB3 -0.59 -0.07 -0.13 -0.04 1.80 0.97 2b8vA1 ARG 205 HG2 -0.40 0.01 -0.26 -0.04 1.67 0.98 2b8vA1 ARG 205 HG3 -0.24 -0.02 0.06 -0.04 1.67 1.42 2b8vA1 ARG 205 HD2 -0.60 0.03 -0.08 -0.04 3.22 2.54 2b8vA1 ARG 205 HD3 -2.07 -0.03 -0.17 -0.04 3.22 0.91 2b8vA1 VAL 206 H -0.11 0.17 0.20 -0.55 8.24 7.94 2b8vA1 VAL 206 HA -0.15 0.39 1.09 -0.75 4.13 4.71 2b8vA1 VAL 206 HB -0.37 -0.10 0.08 -0.04 2.12 1.69 2b8vA1 VAL 206 HG13 -0.16 0.04 -0.09 -0.04 0.97 0.72 2b8vA1 VAL 206 HG23 -0.87 -0.01 -0.15 -0.04 0.95 -0.12 2b8vA1 GLU 207 H -0.04 0.66 0.31 -0.55 8.60 8.99 2b8vA1 GLU 207 HA -0.03 0.32 0.81 -0.75 4.29 4.63 2b8vA1 GLU 207 HB2 0.03 -0.06 -0.15 -0.04 2.09 1.87 2b8vA1 GLU 207 HB3 0.00 -0.06 -0.50 -0.04 1.99 1.39 2b8vA1 GLU 207 HG2 -0.05 0.01 -0.42 -0.04 2.34 1.83 2b8vA1 GLU 207 HG3 0.06 -0.09 -0.53 -0.04 2.34 1.74 2b8vA1 ILE 208 H -0.02 0.72 0.14 -0.55 8.25 8.54 2b8vA1 ILE 208 HA 0.00 0.23 0.93 -0.75 4.18 4.59 2b8vA1 ILE 208 HB -0.02 0.03 0.11 -0.04 1.89 1.98 2b8vA1 ILE 208 HG12 -0.04 -0.08 -0.22 -0.04 1.49 1.11 2b8vA1 ILE 208 HG13 -0.05 0.03 -0.05 -0.04 1.21 1.10 2b8vA1 ILE 208 HG23 0.01 0.02 -0.17 -0.04 0.93 0.74 2b8vA1 ILE 208 HD13 -0.05 0.03 -0.08 -0.04 0.88 0.74 2b8vA1 ASN 209 H 0.04 0.65 0.18 -0.55 8.53 8.86 2b8vA1 ASN 209 HA 0.05 -0.01 0.34 -0.75 4.76 4.38 2b8vA1 ASN 209 HB2 0.04 0.04 -0.33 -0.04 2.88 2.59 2b8vA1 ASN 209 HB3 0.03 0.03 0.29 -0.04 2.79 3.10 2b8vA1 ASN 209 HD21 0.06 0.10 -0.00 -0.04 7.03 7.15 2b8vA1 ASN 209 HD22 0.04 0.03 0.05 -0.04 7.74 7.82 2b8vA1 GLY 210 H 0.01 0.03 -0.44 -0.55 8.43 7.49 2b8vA1 GLY 210 HA2 0.01 -0.04 0.17 -0.51 4.01 3.64 2b8vA1 GLY 210 HA3 0.01 0.17 0.47 -0.51 4.01 4.16 2b8vA1 GLN 211 H 0.00 0.60 -0.56 -0.55 8.47 7.96 2b8vA1 GLN 211 HA -0.01 0.08 0.74 -0.75 4.36 4.42 2b8vA1 GLN 211 HB2 -0.01 0.04 0.03 -0.04 2.15 2.17 2b8vA1 GLN 211 HB3 -0.01 0.09 0.14 -0.04 2.02 2.19 2b8vA1 GLN 211 HG2 -0.02 0.16 -0.29 -0.04 2.40 2.21 2b8vA1 GLN 211 HG3 -0.02 -0.06 0.01 -0.04 2.39 2.29 2b8vA1 GLN 211 HE21 -0.02 -0.01 -0.02 -0.04 6.97 6.89 2b8vA1 GLN 211 HE22 -0.01 -0.03 -0.01 -0.04 7.69 7.59 2b8vA1 ASP 212 H -0.03 0.16 0.17 -0.55 8.40 8.15 2b8vA1 ASP 212 HA -0.05 0.12 0.50 -0.75 4.63 4.44 2b8vA1 ASP 212 HB2 -0.07 0.05 0.14 -0.04 2.71 2.78 2b8vA1 ASP 212 HB3 -0.04 0.04 0.14 -0.04 2.70 2.79 2b8vA1 LEU 213 H -0.01 0.61 0.39 -0.55 8.37 8.81 2b8vA1 LEU 213 HA -0.01 0.13 0.41 -0.75 4.35 4.13 2b8vA1 LEU 213 HB2 -0.00 0.06 0.04 -0.04 1.64 1.70 2b8vA1 LEU 213 HB3 0.15 -0.13 -0.02 -0.04 1.64 1.60 2b8vA1 LEU 213 HG 0.05 -0.02 -0.10 -0.04 1.64 1.53 2b8vA1 LEU 213 HD13 -0.03 0.03 -0.19 -0.04 0.93 0.70 2b8vA1 LEU 213 HD23 0.06 -0.01 -0.09 -0.04 0.89 0.82 2b8vA1 LYS 214 H 0.02 -0.04 -0.23 -0.55 8.42 7.62 2b8vA1 LYS 214 HA -0.01 -0.03 0.26 -0.75 4.32 3.78 2b8vA1 LYS 214 HB2 -0.01 0.24 -0.09 -0.04 1.87 1.97 2b8vA1 LYS 214 HB3 -0.02 -0.05 0.14 -0.04 1.79 1.81 2b8vA1 LYS 214 HG2 -0.03 -0.07 -0.04 -0.04 1.46 1.28 2b8vA1 LYS 214 HG3 -0.02 0.20 -0.30 -0.04 1.46 1.30 2b8vA1 LYS 214 HD2 -0.02 0.06 -0.06 -0.04 1.69 1.63 2b8vA1 LYS 214 HD3 -0.02 -0.05 -0.02 -0.04 1.68 1.55 2b8vA1 LYS 214 HE2 -0.02 -0.02 -0.01 -0.04 2.99 2.90 2b8vA1 LYS 214 HE3 -0.02 -0.05 -0.01 -0.04 2.99 2.87 2b8vA1 MET 215 H 0.04 0.11 -0.01 -0.55 8.47 8.06 2b8vA1 MET 215 HA -0.09 0.21 0.82 -0.75 4.52 4.71 2b8vA1 MET 215 HB2 -0.20 -0.06 -0.12 -0.04 2.15 1.72 2b8vA1 MET 215 HB3 -0.23 -0.02 -0.03 -0.04 2.03 1.71 2b8vA1 MET 215 HG2 -0.02 0.09 -0.13 -0.04 2.63 2.53 2b8vA1 MET 215 HG3 0.05 0.07 -0.49 -0.04 2.56 2.15 2b8vA1 MET 215 HE3 -0.02 -0.01 -0.19 -0.04 2.10 1.84 2b8vA1 ASP 216 H -0.16 0.15 0.11 -0.55 8.40 7.96 2b8vA1 ASP 216 HA -0.13 0.10 0.46 -0.75 4.63 4.31 2b8vA1 ASP 216 HB2 -0.10 0.09 0.14 -0.04 2.71 2.80 2b8vA1 ASP 216 HB3 -0.14 -0.07 0.13 -0.04 2.70 2.58 2b8vA1 CYS 217 H -0.13 0.21 0.20 -0.55 8.50 8.23 2b8vA1 CYS 217 HA -0.46 0.04 0.31 -0.75 4.58 3.71 2b8vA1 CYS 217 HB2 0.09 0.14 0.19 -0.04 2.97 3.35 2b8vA1 CYS 217 HB3 0.02 0.16 0.16 -0.04 2.97 3.27 2b8vA1 LYS 218 H -0.10 -0.02 -0.50 -0.55 8.42 7.25 2b8vA1 LYS 218 HA 0.04 0.43 0.44 -0.75 4.32 4.47 2b8vA1 LYS 218 HB2 -0.05 -0.11 -0.03 -0.04 1.87 1.64 2b8vA1 LYS 218 HB3 0.02 0.02 -0.05 -0.04 1.79 1.74 2b8vA1 LYS 218 HG2 0.03 0.34 -0.00 -0.04 1.46 1.79 2b8vA1 LYS 218 HG3 -0.02 -0.16 -0.06 -0.04 1.46 1.18 2b8vA1 LYS 218 HD2 -0.02 -0.10 -0.02 -0.04 1.69 1.51 2b8vA1 LYS 218 HD3 0.02 -0.01 -0.03 -0.04 1.68 1.63 2b8vA1 LYS 218 HE2 0.01 -0.06 0.00 -0.04 2.99 2.89 2b8vA1 LYS 218 HE3 0.02 0.36 0.04 -0.04 2.99 3.37 2b8vA1 GLU 219 H -0.21 0.45 -0.26 -0.55 8.60 8.03 2b8vA1 GLU 219 HA -0.02 0.06 0.46 -0.75 4.29 4.03 2b8vA1 GLU 219 HB2 -0.32 0.12 0.01 -0.04 2.09 1.86 2b8vA1 GLU 219 HB3 -0.06 -0.09 -0.02 -0.04 1.99 1.78 2b8vA1 GLU 219 HG2 -0.16 -0.03 0.06 -0.04 2.34 2.16 2b8vA1 GLU 219 HG3 -0.13 -0.02 0.02 -0.04 2.34 2.17 2b8vA1 TYR 220 H -0.25 0.25 -0.30 -0.55 8.29 7.44 2b8vA1 TYR 220 HA 0.03 -0.00 0.39 -0.75 4.56 4.22 2b8vA1 TYR 220 HB2 0.01 0.32 0.05 -0.04 3.06 3.40 2b8vA1 TYR 220 HB3 0.00 -0.06 0.00 -0.04 2.98 2.88 2b8vA1 TYR 220 HD2 -0.01 0.06 -0.20 -0.04 7.15 6.96 2b8vA1 TYR 220 HE2 -0.04 0.01 -0.15 -0.04 6.85 6.63 2b8vA1 ASN 221 H 0.13 0.32 -0.42 -0.55 8.53 8.01 2b8vA1 ASN 221 HA 0.10 0.15 0.68 -0.75 4.76 4.94 2b8vA1 ASN 221 HB2 0.14 0.28 0.03 -0.04 2.88 3.30 2b8vA1 ASN 221 HB3 0.13 -0.10 0.10 -0.04 2.79 2.89 2b8vA1 ASN 221 HD21 0.13 0.41 0.09 -0.04 7.03 7.61 2b8vA1 ASN 221 HD22 0.11 0.24 -0.02 -0.04 7.74 8.03 2b8vA1 TYR 222 H 0.18 0.24 -0.37 -0.55 8.29 7.79 2b8vA1 TYR 222 HA -0.04 0.02 0.40 -0.75 4.56 4.18 2b8vA1 TYR 222 HB2 -0.03 0.03 0.18 -0.04 3.06 3.20 2b8vA1 TYR 222 HB3 -0.03 -0.03 0.21 -0.04 2.98 3.09 2b8vA1 TYR 222 HD2 -0.11 -0.04 0.04 -0.04 7.15 6.99 2b8vA1 TYR 222 HE2 -0.10 -0.01 -0.00 -0.04 6.85 6.70 2b8vA1 ASP 223 H -0.38 0.15 0.21 -0.55 8.40 7.83 2b8vA1 ASP 223 HA -0.93 -0.02 0.37 -0.75 4.63 3.30 2b8vA1 ASP 223 HB2 -0.82 -0.06 -0.06 -0.04 2.71 1.73 2b8vA1 ASP 223 HB3 -0.33 0.12 0.39 -0.04 2.70 2.83 2b8vA1 LYS 224 H -0.07 0.28 -0.41 -0.55 8.42 7.66 2b8vA1 LYS 224 HA 0.15 0.08 0.45 -0.75 4.32 4.25 2b8vA1 LYS 224 HB2 0.13 -0.08 0.09 -0.04 1.87 1.96 2b8vA1 LYS 224 HB3 0.30 0.21 -0.05 -0.04 1.79 2.21 2b8vA1 LYS 224 HG2 -0.07 -0.01 -0.29 -0.04 1.46 1.05 2b8vA1 LYS 224 HG3 -0.15 0.01 -0.33 -0.04 1.46 0.95 2b8vA1 LYS 224 HD2 -0.54 -0.09 -0.14 -0.04 1.69 0.88 2b8vA1 LYS 224 HD3 -0.07 -0.00 -0.12 -0.04 1.68 1.44 2b8vA1 LYS 224 HE2 -0.54 0.01 -0.10 -0.04 2.99 2.32 2b8vA1 LYS 224 HE3 -0.85 -0.07 -0.08 -0.04 2.99 1.95 2b8vA1 SER 225 H 0.08 0.28 0.26 -0.55 8.46 8.54 2b8vA1 SER 225 HA -0.01 0.30 0.96 -0.75 4.49 4.98 2b8vA1 SER 225 HB2 0.06 0.18 0.15 -0.04 3.95 4.30 2b8vA1 SER 225 HB3 0.03 -0.04 -0.01 -0.04 3.93 3.87 2b8vA1 ILE 226 H -0.04 0.58 0.28 -0.55 8.25 8.53 2b8vA1 ILE 226 HA 0.06 0.29 1.07 -0.75 4.18 4.85 2b8vA1 ILE 226 HB -0.02 -0.04 -0.07 -0.04 1.89 1.73 2b8vA1 ILE 226 HG12 -0.18 0.18 0.01 -0.04 1.49 1.45 2b8vA1 ILE 226 HG13 -0.06 -0.12 -0.34 -0.04 1.21 0.65 2b8vA1 ILE 226 HG23 -0.34 -0.00 -0.34 -0.04 0.93 0.21 2b8vA1 ILE 226 HD13 -0.39 -0.00 -0.13 -0.04 0.88 0.31 2b8vA1 VAL 227 H 0.19 0.49 0.25 -0.55 8.24 8.62 2b8vA1 VAL 227 HA 0.13 0.19 0.83 -0.75 4.13 4.52 2b8vA1 VAL 227 HB 0.28 -0.03 0.18 -0.04 2.12 2.50 2b8vA1 VAL 227 HG13 0.12 -0.01 -0.08 -0.04 0.97 0.96 2b8vA1 VAL 227 HG23 0.15 0.03 -0.07 -0.04 0.95 1.02 2b8vA1 ASP 228 H 0.09 0.69 0.04 -0.55 8.40 8.67 2b8vA1 ASP 228 HA 0.10 0.02 0.76 -0.75 4.63 4.75 2b8vA1 ASP 228 HB2 0.03 0.08 -0.36 -0.04 2.71 2.41 2b8vA1 ASP 228 HB3 0.02 0.07 -0.07 -0.04 2.70 2.68 2b8vA1 SER 229 H 0.03 0.07 0.11 -0.55 8.46 8.13 2b8vA1 SER 229 HA 0.04 0.18 0.44 -0.75 4.49 4.40 2b8vA1 SER 229 HB2 -0.02 0.13 0.12 -0.04 3.95 4.14 2b8vA1 SER 229 HB3 -0.01 0.02 0.07 -0.04 3.93 3.98 2b8vA1 GLY 230 H 0.01 -0.14 -0.33 -0.55 8.43 7.43 2b8vA1 GLY 230 HA2 -0.06 0.26 0.62 -0.51 4.01 4.32 2b8vA1 GLY 230 HA3 -0.04 -0.08 0.24 -0.51 4.01 3.62 2b8vA1 THR 231 H 0.02 0.32 -0.28 -0.55 8.28 7.80 2b8vA1 THR 231 HA 0.01 0.16 0.86 -0.75 4.39 4.67 2b8vA1 THR 231 HB 0.01 0.06 0.05 -0.04 4.32 4.40 2b8vA1 THR 231 HG23 0.00 0.01 -0.11 -0.04 1.22 1.08 2b8vA1 THR 232 H 0.02 0.16 0.12 -0.55 8.28 8.04 2b8vA1 THR 232 HA 0.06 0.07 0.50 -0.75 4.39 4.27 2b8vA1 THR 232 HB 0.02 -0.06 0.16 -0.04 4.32 4.40 2b8vA1 THR 232 HG23 0.04 0.03 -0.06 -0.04 1.22 1.18 2b8vA1 ASN 233 H 0.01 0.02 0.01 -0.55 8.53 8.02 2b8vA1 ASN 233 HA 0.00 0.22 0.58 -0.75 4.76 4.81 2b8vA1 ASN 233 HB2 -0.02 -0.10 -0.13 -0.04 2.88 2.59 2b8vA1 ASN 233 HB3 -0.04 0.15 -0.03 -0.04 2.79 2.83 2b8vA1 ASN 233 HD21 -0.02 0.07 -0.09 -0.04 7.03 6.96 2b8vA1 ASN 233 HD22 -0.04 -0.04 -0.19 -0.04 7.74 7.43 2b8vA1 LEU 234 H -0.03 0.62 0.36 -0.55 8.37 8.76 2b8vA1 LEU 234 HA 0.01 0.09 0.89 -0.75 4.35 4.59 2b8vA1 LEU 234 HB2 0.00 -0.04 0.08 -0.04 1.64 1.64 2b8vA1 LEU 234 HB3 -0.04 0.03 0.26 -0.04 1.64 1.85 2b8vA1 LEU 234 HG -0.01 -0.01 -0.25 -0.04 1.64 1.34 2b8vA1 LEU 234 HD13 -0.01 0.03 -0.02 -0.04 0.93 0.89 2b8vA1 LEU 234 HD23 -0.04 -0.00 -0.08 -0.04 0.89 0.72 2b8vA1 ARG 235 H -0.01 0.56 0.26 -0.55 8.46 8.72 2b8vA1 ARG 235 HA -0.02 0.29 0.87 -0.75 4.34 4.71 2b8vA1 ARG 235 HB2 -0.03 -0.08 0.08 -0.04 1.90 1.82 2b8vA1 ARG 235 HB3 -0.05 0.06 -0.17 -0.04 1.80 1.60 2b8vA1 ARG 235 HG2 -0.04 0.00 -0.25 -0.04 1.67 1.35 2b8vA1 ARG 235 HG3 -0.02 0.07 -0.20 -0.04 1.67 1.47 2b8vA1 ARG 235 HD2 -0.02 -0.06 -0.08 -0.04 3.22 3.02 2b8vA1 ARG 235 HD3 -0.03 -0.02 -0.07 -0.04 3.22 3.05 2b8vA1 LEU 236 H 0.02 0.72 0.35 -0.55 8.37 8.91 2b8vA1 LEU 236 HA 0.05 0.18 0.91 -0.75 4.35 4.73 2b8vA1 LEU 236 HB2 0.22 -0.02 -0.07 -0.04 1.64 1.73 2b8vA1 LEU 236 HB3 0.12 -0.03 -0.07 -0.04 1.64 1.62 2b8vA1 LEU 236 HG 0.07 0.00 -0.47 -0.04 1.64 1.20 2b8vA1 LEU 236 HD13 0.08 -0.00 -0.17 -0.04 0.93 0.79 2b8vA1 LEU 236 HD23 0.01 0.02 -0.10 -0.04 0.89 0.77 2b8vA1 PRO 237 HA 0.05 0.30 0.53 -0.51 4.44 4.81 2b8vA1 PRO 237 HB2 0.13 -0.15 0.09 -0.04 2.28 2.31 2b8vA1 PRO 237 HB3 0.14 0.06 0.16 -0.04 2.02 2.34 2b8vA1 PRO 237 HG2 0.12 0.25 0.09 -0.04 2.03 2.44 2b8vA1 PRO 237 HG3 0.04 -0.01 -0.03 -0.04 2.03 1.99 2b8vA1 PRO 237 HD2 0.12 0.04 0.18 -0.04 3.68 3.98 2b8vA1 PRO 237 HD3 0.06 0.18 0.10 -0.04 3.65 3.95 2b8vA1 LYS 238 H 0.07 0.31 0.31 -0.55 8.42 8.56 2b8vA1 LYS 238 HA 0.12 0.07 0.43 -0.75 4.32 4.18 2b8vA1 LYS 238 HB2 0.06 0.08 0.19 -0.04 1.87 2.15 2b8vA1 LYS 238 HB3 0.08 -0.06 0.20 -0.04 1.79 1.97 2b8vA1 LYS 238 HG2 0.06 0.03 0.01 -0.04 1.46 1.52 2b8vA1 LYS 238 HG3 0.08 -0.01 -0.25 -0.04 1.46 1.24 2b8vA1 LYS 238 HD2 0.14 -0.05 0.06 -0.04 1.69 1.81 2b8vA1 LYS 238 HD3 0.06 0.03 0.03 -0.04 1.68 1.76 2b8vA1 LYS 238 HE2 0.06 0.02 -0.01 -0.04 2.99 3.02 2b8vA1 LYS 238 HE3 0.09 -0.01 -0.04 -0.04 2.99 2.98 2b8vA1 LYS 239 H 0.09 0.13 -0.07 -0.55 8.42 8.01 2b8vA1 LYS 239 HA 0.06 0.08 0.42 -0.75 4.32 4.12 2b8vA1 LYS 239 HB2 0.03 -0.01 0.05 -0.04 1.87 1.90 2b8vA1 LYS 239 HB3 0.01 0.04 -0.01 -0.04 1.79 1.79 2b8vA1 LYS 239 HG2 0.01 0.04 0.04 -0.04 1.46 1.51 2b8vA1 LYS 239 HG3 0.03 -0.05 0.07 -0.04 1.46 1.48 2b8vA1 LYS 239 HD2 -0.05 0.00 0.02 -0.04 1.69 1.63 2b8vA1 LYS 239 HD3 -0.04 0.01 0.01 -0.04 1.68 1.62 2b8vA1 LYS 239 HE2 -0.03 0.02 0.01 -0.04 2.99 2.95 2b8vA1 LYS 239 HE3 -0.03 0.00 0.02 -0.04 2.99 2.94 2b8vA1 VAL 240 H 0.12 0.17 -0.27 -0.55 8.24 7.70 2b8vA1 VAL 240 HA 0.11 0.04 0.39 -0.75 4.13 3.91 2b8vA1 VAL 240 HB 0.16 0.12 -0.01 -0.04 2.12 2.34 2b8vA1 VAL 240 HG13 0.18 -0.00 -0.11 -0.04 0.97 1.00 2b8vA1 VAL 240 HG23 0.20 -0.01 -0.17 -0.04 0.95 0.92 2b8vA1 PHE 241 H 0.24 0.65 -0.26 -0.55 8.34 8.41 2b8vA1 PHE 241 HA 0.04 0.03 0.32 -0.75 4.62 4.25 2b8vA1 PHE 241 HB2 0.04 0.08 -0.10 -0.04 3.15 3.13 2b8vA1 PHE 241 HB3 0.04 0.11 0.09 -0.04 3.06 3.26 2b8vA1 PHE 241 HD2 0.06 -0.00 -0.19 -0.04 7.28 7.11 2b8vA1 PHE 241 HE2 0.16 0.16 -0.14 -0.04 7.38 7.52 2b8vA1 PHE 241 HZ 0.23 0.32 0.09 -0.04 7.32 7.92 2b8vA1 GLU 242 H 0.15 0.55 -0.05 -0.55 8.60 8.71 2b8vA1 GLU 242 HA -0.16 0.03 0.36 -0.75 4.29 3.76 2b8vA1 GLU 242 HB2 0.03 0.07 0.13 -0.04 2.09 2.28 2b8vA1 GLU 242 HB3 -0.00 -0.03 0.02 -0.04 1.99 1.94 2b8vA1 GLU 242 HG2 0.17 0.29 0.10 -0.04 2.34 2.86 2b8vA1 GLU 242 HG3 0.08 -0.06 -0.00 -0.04 2.34 2.32 2b8vA1 ALA 243 H -0.02 0.45 -0.23 -0.55 8.40 8.05 2b8vA1 ALA 243 HA -0.07 0.03 0.46 -0.75 4.34 4.01 2b8vA1 ALA 243 HB3 -0.00 0.02 0.07 -0.04 1.41 1.45 2b8vA1 ALA 244 H -0.08 0.61 -0.16 -0.55 8.40 8.22 2b8vA1 ALA 244 HA -0.09 -0.01 0.42 -0.75 4.34 3.91 2b8vA1 ALA 244 HB3 -0.08 0.01 0.07 -0.04 1.41 1.37 2b8vA1 VAL 245 H -0.38 0.72 -0.06 -0.55 8.24 7.97 2b8vA1 VAL 245 HA -0.41 0.01 0.39 -0.75 4.13 3.36 2b8vA1 VAL 245 HB -0.46 0.08 0.11 -0.04 2.12 1.82 2b8vA1 VAL 245 HG13 -0.56 -0.02 -0.11 -0.04 0.97 0.24 2b8vA1 VAL 245 HG23 -0.77 0.04 0.02 -0.04 0.95 0.20 2b8vA1 LYS 246 H -0.24 0.47 -0.23 -0.55 8.42 7.87 2b8vA1 LYS 246 HA -0.25 0.00 0.43 -0.75 4.32 3.75 2b8vA1 LYS 246 HB2 -0.12 0.11 0.15 -0.04 1.87 1.97 2b8vA1 LYS 246 HB3 -0.11 -0.06 0.06 -0.04 1.79 1.63 2b8vA1 LYS 246 HG2 -0.14 0.60 0.19 -0.04 1.46 2.07 2b8vA1 LYS 246 HG3 -0.08 -0.09 0.02 -0.04 1.46 1.26 2b8vA1 LYS 246 HD2 -0.10 -0.04 0.02 -0.04 1.69 1.53 2b8vA1 LYS 246 HD3 -0.20 -0.04 -0.05 -0.04 1.68 1.36 2b8vA1 LYS 246 HE2 -0.13 0.07 0.04 -0.04 2.99 2.93 2b8vA1 LYS 246 HE3 -0.06 -0.05 -0.00 -0.04 2.99 2.84 2b8vA1 SER 247 H -0.15 0.50 -0.17 -0.55 8.46 8.09 2b8vA1 SER 247 HA -0.09 0.02 0.48 -0.75 4.49 4.15 2b8vA1 SER 247 HB2 -0.07 0.03 0.11 -0.04 3.95 3.99 2b8vA1 SER 247 HB3 -0.09 0.09 0.16 -0.04 3.93 4.05 2b8vA1 ILE 248 H -0.20 0.68 -0.01 -0.55 8.25 8.17 2b8vA1 ILE 248 HA -0.02 0.00 0.42 -0.75 4.18 3.82 2b8vA1 ILE 248 HB -0.36 0.06 0.12 -0.04 1.89 1.67 2b8vA1 ILE 248 HG12 -0.01 -0.04 -0.02 -0.04 1.49 1.37 2b8vA1 ILE 248 HG13 -0.09 0.12 0.06 -0.04 1.21 1.26 2b8vA1 ILE 248 HG23 0.21 -0.01 -0.10 -0.04 0.93 0.99 2b8vA1 ILE 248 HD13 0.03 -0.03 -0.13 -0.04 0.88 0.70 2b8vA1 LYS 249 H -0.48 0.60 -0.19 -0.55 8.42 7.79 2b8vA1 LYS 249 HA -0.24 0.04 0.39 -0.75 4.32 3.75 2b8vA1 LYS 249 HB2 -0.35 0.11 0.17 -0.04 1.87 1.76 2b8vA1 LYS 249 HB3 -0.21 -0.06 -0.01 -0.04 1.79 1.48 2b8vA1 LYS 249 HG2 -1.35 -0.06 0.02 -0.04 1.46 0.04 2b8vA1 LYS 249 HG3 -1.52 0.15 0.10 -0.04 1.46 0.15 2b8vA1 LYS 249 HD2 -0.92 -0.08 -0.05 -0.04 1.69 0.60 2b8vA1 LYS 249 HD3 -0.49 -0.00 -0.12 -0.04 1.68 1.03 2b8vA1 LYS 249 HE2 -0.15 0.03 -0.01 -0.04 2.99 2.82 2b8vA1 LYS 249 HE3 -0.04 -0.01 -0.01 -0.04 2.99 2.89 2b8vA1 ALA 250 H -0.14 0.47 -0.17 -0.55 8.40 8.02 2b8vA1 ALA 250 HA -0.03 -0.01 0.41 -0.75 4.34 3.94 2b8vA1 ALA 250 HB3 -0.05 0.01 0.13 -0.04 1.41 1.46 2b8vA1 ALA 251 H -0.03 0.52 -0.20 -0.55 8.40 8.15 2b8vA1 ALA 251 HA 0.01 -0.01 0.49 -0.75 4.34 4.08 2b8vA1 ALA 251 HB3 0.04 -0.00 0.09 -0.04 1.41 1.50 2b8vA1 SER 252 H 0.06 0.38 -0.33 -0.55 8.46 8.03 2b8vA1 SER 252 HA 0.02 0.27 0.99 -0.75 4.49 5.02 2b8vA1 SER 252 HB2 0.00 -0.12 0.19 -0.04 3.95 3.98 2b8vA1 SER 252 HB3 0.16 -0.04 0.16 -0.04 3.93 4.17 2b8vA1 SER 253 H 0.03 0.31 -0.39 -0.55 8.46 7.86 2b8vA1 SER 253 HA 0.06 0.09 0.33 -0.75 4.49 4.21 2b8vA1 SER 253 HB2 0.01 -0.12 0.08 -0.04 3.95 3.87 2b8vA1 SER 253 HB3 0.01 0.06 0.16 -0.04 3.93 4.12 2b8vA1 THR 254 H 0.00 0.13 -0.51 -0.55 8.28 7.35 2b8vA1 THR 254 HA -0.02 -0.01 0.35 -0.75 4.39 3.95 2b8vA1 THR 254 HB -0.03 -0.06 0.04 -0.04 4.32 4.22 2b8vA1 THR 254 HG23 -0.02 -0.00 0.02 -0.04 1.22 1.18 2b8vA1 GLU 255 H -0.00 0.55 -0.21 -0.55 8.60 8.39 2b8vA1 GLU 255 HA -0.13 0.07 0.77 -0.75 4.29 4.24 2b8vA1 GLU 255 HB2 -0.08 -0.05 -0.18 -0.04 2.09 1.75 2b8vA1 GLU 255 HB3 -0.16 0.02 -0.03 -0.04 1.99 1.78 2b8vA1 GLU 255 HG2 -0.59 0.11 -0.06 -0.04 2.34 1.76 2b8vA1 GLU 255 HG3 -0.20 -0.03 0.11 -0.04 2.34 2.18 2b8vA1 LYS 256 H -0.24 0.09 0.13 -0.55 8.42 7.84 2b8vA1 LYS 256 HA 0.02 0.23 0.86 -0.75 4.32 4.67 2b8vA1 LYS 256 HB2 -0.11 -0.05 0.07 -0.04 1.87 1.74 2b8vA1 LYS 256 HB3 -0.00 -0.01 -0.02 -0.04 1.79 1.72 2b8vA1 LYS 256 HG2 -0.04 0.04 -0.11 -0.04 1.46 1.32 2b8vA1 LYS 256 HG3 -0.01 -0.05 -0.02 -0.04 1.46 1.33 2b8vA1 LYS 256 HD2 0.07 -0.06 0.00 -0.04 1.69 1.67 2b8vA1 LYS 256 HD3 0.07 0.16 -0.11 -0.04 1.68 1.76 2b8vA1 LYS 256 HE2 0.01 -0.08 -0.03 -0.04 2.99 2.85 2b8vA1 LYS 256 HE3 0.03 -0.01 -0.03 -0.04 2.99 2.94 2b8vA1 PHE 257 H 0.32 0.25 0.18 -0.55 8.34 8.54 2b8vA1 PHE 257 HA -0.12 0.18 0.83 -0.75 4.62 4.76 2b8vA1 PHE 257 HB2 -0.13 -0.01 -0.01 -0.04 3.15 2.96 2b8vA1 PHE 257 HB3 -0.53 -0.02 0.03 -0.04 3.06 2.50 2b8vA1 PHE 257 HD2 -0.14 -0.01 -0.08 -0.04 7.28 7.02 2b8vA1 PHE 257 HE2 -0.02 0.06 -0.10 -0.04 7.38 7.27 2b8vA1 PHE 257 HZ 0.26 -0.02 -0.12 -0.04 7.32 7.40 2b8vA1 PRO 258 HA 0.12 0.09 0.48 -0.51 4.44 4.62 2b8vA1 PRO 258 HB2 0.08 -0.11 0.05 -0.04 2.28 2.25 2b8vA1 PRO 258 HB3 0.04 0.10 0.12 -0.04 2.02 2.24 2b8vA1 PRO 258 HG2 0.08 -0.14 0.04 -0.04 2.03 1.97 2b8vA1 PRO 258 HG3 0.01 0.13 0.04 -0.04 2.03 2.17 2b8vA1 PRO 258 HD2 -0.00 0.15 0.19 -0.04 3.68 3.97 2b8vA1 PRO 258 HD3 -0.03 0.19 0.16 -0.04 3.65 3.93 2b8vA1 ASP 259 H 0.16 0.17 0.19 -0.55 8.40 8.37 2b8vA1 ASP 259 HA 0.42 0.15 0.40 -0.75 4.63 4.85 2b8vA1 ASP 259 HB2 0.14 -0.04 0.11 -0.04 2.71 2.87 2b8vA1 ASP 259 HB3 0.17 0.04 0.04 -0.04 2.70 2.92 2b8vA1 GLY 260 H 0.13 0.08 -0.20 -0.55 8.43 7.89 2b8vA1 GLY 260 HA2 0.12 0.09 0.35 -0.51 4.01 4.07 2b8vA1 GLY 260 HA3 0.10 0.08 0.21 -0.51 4.01 3.89 2b8vA1 PHE 261 H 0.15 0.35 -0.43 -0.55 8.34 7.85 2b8vA1 PHE 261 HA -0.08 0.24 0.52 -0.75 4.62 4.54 2b8vA1 PHE 261 HB2 -0.18 -0.06 0.00 -0.04 3.15 2.88 2b8vA1 PHE 261 HB3 -0.55 0.19 0.05 -0.04 3.06 2.71 2b8vA1 PHE 261 HD2 -1.17 0.11 -0.07 -0.04 7.28 6.11 2b8vA1 PHE 261 HE2 -0.70 0.06 -0.09 -0.04 7.38 6.61 2b8vA1 PHE 261 HZ -0.32 0.01 -0.14 -0.04 7.32 6.84 2b8vA1 TRP 262 H -0.08 0.29 -0.11 -0.55 7.97 7.52 2b8vA1 TRP 262 HA -0.63 0.07 0.44 -0.75 4.62 3.75 2b8vA1 TRP 262 HB2 -0.01 0.09 0.08 -0.04 3.23 3.35 2b8vA1 TRP 262 HB3 -0.21 -0.03 0.10 -0.04 3.23 3.06 2b8vA1 TRP 262 HD1 0.08 -0.05 -0.03 -0.04 7.22 7.18 2b8vA1 TRP 262 HE1 0.21 0.03 -0.04 -0.04 10.20 10.35 2b8vA1 TRP 262 HE3 -1.96 0.00 0.02 -0.04 7.59 5.61 2b8vA1 TRP 262 HZ2 0.34 0.08 -0.03 -0.04 7.44 7.78 2b8vA1 TRP 262 HZ3 -0.39 -0.01 -0.07 -0.04 7.13 6.62 2b8vA1 TRP 262 HH2 0.31 0.07 -0.10 -0.04 7.19 7.43 2b8vA1 LEU 263 H 0.18 0.13 -0.58 -0.55 8.37 7.56 2b8vA1 LEU 263 HA 0.33 0.14 0.77 -0.75 4.35 4.84 2b8vA1 LEU 263 HB2 0.14 -0.04 0.12 -0.04 1.64 1.83 2b8vA1 LEU 263 HB3 0.13 -0.03 0.15 -0.04 1.64 1.85 2b8vA1 LEU 263 HG 0.24 0.14 -0.07 -0.04 1.64 1.92 2b8vA1 LEU 263 HD13 0.13 -0.04 -0.07 -0.04 0.93 0.91 2b8vA1 LEU 263 HD23 0.28 0.01 -0.03 -0.04 0.89 1.12 2b8vA1 GLY 264 H 0.07 0.43 -0.19 -0.55 8.43 8.19 2b8vA1 GLY 264 HA2 0.03 0.06 0.41 -0.51 4.01 4.00 2b8vA1 GLY 264 HA3 0.06 0.08 0.53 -0.51 4.01 4.18 2b8vA1 GLU 265 H 0.08 0.30 -0.14 -0.55 8.60 8.29 2b8vA1 GLU 265 HA 0.05 0.16 0.65 -0.75 4.29 4.39 2b8vA1 GLU 265 HB2 0.07 -0.08 0.05 -0.04 2.09 2.09 2b8vA1 GLU 265 HB3 0.05 -0.05 0.04 -0.04 1.99 1.99 2b8vA1 GLU 265 HG2 0.05 0.01 -0.04 -0.04 2.34 2.32 2b8vA1 GLU 265 HG3 0.06 0.14 -0.19 -0.04 2.34 2.32 2b8vA1 GLN 266 H 0.09 0.28 -0.17 -0.55 8.47 8.12 2b8vA1 GLN 266 HA 0.07 0.20 0.90 -0.75 4.36 4.77 2b8vA1 GLN 266 HB2 0.13 -0.15 -0.29 -0.04 2.15 1.80 2b8vA1 GLN 266 HB3 0.08 0.13 -0.07 -0.04 2.02 2.12 2b8vA1 GLN 266 HG2 0.05 0.11 -0.07 -0.04 2.40 2.45 2b8vA1 GLN 266 HG3 0.07 -0.07 -0.35 -0.04 2.39 2.00 2b8vA1 GLN 266 HE21 0.03 -0.04 0.00 -0.04 6.97 6.92 2b8vA1 GLN 266 HE22 0.02 0.12 -0.01 -0.04 7.69 7.78 2b8vA1 LEU 267 H 0.06 0.13 0.13 -0.55 8.37 8.15 2b8vA1 LEU 267 HA 0.22 0.32 0.95 -0.75 4.35 5.09 2b8vA1 LEU 267 HB2 0.04 -0.07 -0.03 -0.04 1.64 1.54 2b8vA1 LEU 267 HB3 0.09 0.04 -0.03 -0.04 1.64 1.69 2b8vA1 LEU 267 HG 0.05 -0.04 -0.17 -0.04 1.64 1.45 2b8vA1 LEU 267 HD13 0.03 -0.01 -0.14 -0.04 0.93 0.76 2b8vA1 LEU 267 HD23 0.09 0.03 -0.31 -0.04 0.89 0.66 2b8vA1 VAL 268 H 0.16 0.52 0.29 -0.55 8.24 8.66 2b8vA1 VAL 268 HA -0.23 0.13 0.87 -0.75 4.13 4.15 2b8vA1 VAL 268 HB -0.42 0.01 0.07 -0.04 2.12 1.74 2b8vA1 VAL 268 HG13 -0.97 0.01 -0.11 -0.04 0.97 -0.14 2b8vA1 VAL 268 HG23 -0.44 -0.00 -0.17 -0.04 0.95 0.30 2b8vA1 CYS 269 H -0.30 0.19 0.14 -0.55 8.50 7.98 2b8vA1 CYS 269 HA 0.12 0.38 1.07 -0.75 4.58 5.40 2b8vA1 CYS 269 HB2 -0.09 -0.01 -0.10 -0.04 2.97 2.73 2b8vA1 CYS 269 HB3 0.00 -0.01 -0.34 -0.04 2.97 2.58 2b8vA1 TRP 270 H 0.38 0.56 0.24 -0.55 7.97 8.60 2b8vA1 TRP 270 HA 0.00 0.17 0.86 -0.75 4.62 4.90 2b8vA1 TRP 270 HB2 0.04 0.00 0.05 -0.04 3.23 3.28 2b8vA1 TRP 270 HB3 -0.02 0.02 -0.10 -0.04 3.23 3.09 2b8vA1 TRP 270 HD1 -0.04 0.01 -0.03 -0.04 7.22 7.12 2b8vA1 TRP 270 HE1 -0.01 0.02 -0.02 -0.04 10.20 10.14 2b8vA1 TRP 270 HE3 0.16 0.11 -0.11 -0.04 7.59 7.71 2b8vA1 TRP 270 HZ2 0.34 0.04 -0.10 -0.04 7.44 7.68 2b8vA1 TRP 270 HZ3 -0.04 0.05 -0.11 -0.04 7.13 6.98 2b8vA1 TRP 270 HH2 -0.14 0.01 -0.13 -0.04 7.19 6.90 2b8vA1 GLN 271 H 0.20 0.12 0.09 -0.55 8.47 8.33 2b8vA1 GLN 271 HA 0.07 0.16 0.46 -0.75 4.36 4.30 2b8vA1 GLN 271 HB2 0.10 -0.01 -0.04 -0.04 2.15 2.16 2b8vA1 GLN 271 HB3 0.06 0.07 0.05 -0.04 2.02 2.16 2b8vA1 GLN 271 HG2 0.04 0.03 0.05 -0.04 2.40 2.48 2b8vA1 GLN 271 HG3 0.08 -0.05 0.10 -0.04 2.39 2.48 2b8vA1 GLN 271 HE21 0.04 -0.00 0.01 -0.04 6.97 6.98 2b8vA1 GLN 271 HE22 0.07 -0.01 0.03 -0.04 7.69 7.74 2b8vA1 ALA 272 H 0.06 0.43 0.18 -0.55 8.40 8.53 2b8vA1 ALA 272 HA 0.08 -0.08 0.24 -0.75 4.34 3.82 2b8vA1 ALA 272 HB3 0.04 -0.01 0.04 -0.04 1.41 1.44 2b8vA1 GLY 273 H 0.11 0.05 0.17 -0.55 8.43 8.21 2b8vA1 GLY 273 HA2 0.11 -0.03 0.36 -0.51 4.01 3.94 2b8vA1 GLY 273 HA3 0.08 0.07 0.43 -0.51 4.01 4.08 2b8vA1 THR 274 H 0.06 0.04 0.06 -0.55 8.28 7.89 2b8vA1 THR 274 HA 0.01 0.19 0.70 -0.75 4.39 4.53 2b8vA1 THR 274 HB 0.06 -0.05 0.10 -0.04 4.32 4.39 2b8vA1 THR 274 HG23 0.06 0.04 -0.41 -0.04 1.22 0.87 2b8vA1 THR 275 H -0.18 -0.04 0.08 -0.55 8.28 7.59 2b8vA1 THR 275 HA -1.34 0.12 0.36 -0.75 4.39 2.77 2b8vA1 THR 275 HB -1.33 -0.04 0.09 -0.04 4.32 3.00 2b8vA1 THR 275 HG23 -2.32 0.01 -0.21 -0.04 1.22 -1.33 2b8vA1 PRO 276 HA -0.22 0.07 0.51 -0.51 4.44 4.29 2b8vA1 PRO 276 HB2 -0.15 -0.05 0.17 -0.04 2.28 2.21 2b8vA1 PRO 276 HB3 -0.14 0.09 0.12 -0.04 2.02 2.05 2b8vA1 PRO 276 HG2 -0.35 0.01 0.05 -0.04 2.03 1.71 2b8vA1 PRO 276 HG3 -0.01 0.06 0.07 -0.04 2.03 2.11 2b8vA1 PRO 276 HD2 -2.14 0.04 0.12 -0.04 3.68 1.67 2b8vA1 PRO 276 HD3 -0.65 0.28 0.23 -0.04 3.65 3.47 2b8vA1 TRP 277 H -0.34 0.51 0.04 -0.55 7.97 7.64 2b8vA1 TRP 277 HA 0.01 0.07 0.25 -0.75 4.62 4.20 2b8vA1 TRP 277 HB2 -0.03 -0.04 0.03 -0.04 3.23 3.15 2b8vA1 TRP 277 HB3 -0.04 -0.03 -0.00 -0.04 3.23 3.11 2b8vA1 TRP 277 HD1 -0.05 -0.02 0.04 -0.04 7.22 7.15 2b8vA1 TRP 277 HE1 -0.07 -0.01 -0.01 -0.04 10.20 10.07 2b8vA1 TRP 277 HE3 -0.28 -0.07 -0.19 -0.04 7.59 7.01 2b8vA1 TRP 277 HZ2 -0.01 -0.01 -0.03 -0.04 7.44 7.35 2b8vA1 TRP 277 HZ3 -0.45 0.20 -0.27 -0.04 7.13 6.57 2b8vA1 TRP 277 HH2 -0.19 0.12 -0.04 -0.04 7.19 7.04 2b8vA1 ASN 278 H 0.09 0.03 -0.33 -0.55 8.53 7.78 2b8vA1 ASN 278 HA 0.07 0.07 0.31 -0.75 4.76 4.47 2b8vA1 ASN 278 HB2 -0.10 0.04 0.03 -0.04 2.88 2.81 2b8vA1 ASN 278 HB3 -0.10 -0.07 0.05 -0.04 2.79 2.63 2b8vA1 ASN 278 HD21 -0.07 0.04 -0.03 -0.04 7.03 6.93 2b8vA1 ASN 278 HD22 -0.07 -0.03 -0.01 -0.04 7.74 7.59 2b8vA1 ILE 279 H -0.06 0.46 -0.38 -0.55 8.25 7.72 2b8vA1 ILE 279 HA -0.07 0.09 0.57 -0.75 4.18 4.02 2b8vA1 ILE 279 HB -0.18 -0.04 0.10 -0.04 1.89 1.74 2b8vA1 ILE 279 HG12 -0.34 0.50 0.10 -0.04 1.49 1.70 2b8vA1 ILE 279 HG13 -1.18 0.02 -0.31 -0.04 1.21 -0.30 2b8vA1 ILE 279 HG23 -0.09 -0.03 -0.01 -0.04 0.93 0.75 2b8vA1 ILE 279 HD13 -0.11 -0.03 -0.05 -0.04 0.88 0.65 2b8vA1 PHE 280 H 0.17 0.39 -0.16 -0.55 8.34 8.19 2b8vA1 PHE 280 HA 0.22 0.17 0.75 -0.75 4.62 5.01 2b8vA1 PHE 280 HB2 0.13 0.02 0.12 -0.04 3.15 3.38 2b8vA1 PHE 280 HB3 0.34 0.02 0.02 -0.04 3.06 3.40 2b8vA1 PHE 280 HD2 0.15 0.02 -0.05 -0.04 7.28 7.36 2b8vA1 PHE 280 HE2 -0.28 -0.04 -0.13 -0.04 7.38 6.89 2b8vA1 PHE 280 HZ -0.37 -0.03 -0.12 -0.04 7.32 6.75 2b8vA1 PRO 281 HA 0.17 0.10 0.56 -0.51 4.44 4.76 2b8vA1 PRO 281 HB2 0.12 -0.03 0.04 -0.04 2.28 2.37 2b8vA1 PRO 281 HB3 0.12 0.08 0.03 -0.04 2.02 2.21 2b8vA1 PRO 281 HG2 0.24 -0.03 -0.05 -0.04 2.03 2.15 2b8vA1 PRO 281 HG3 0.14 0.03 0.05 -0.04 2.03 2.21 2b8vA1 PRO 281 HD2 0.57 0.03 0.18 -0.04 3.68 4.42 2b8vA1 PRO 281 HD3 0.26 0.27 0.09 -0.04 3.65 4.23 2b8vA1 VAL 282 H 0.13 0.04 0.21 -0.55 8.24 8.07 2b8vA1 VAL 282 HA 0.21 0.20 0.79 -0.75 4.13 4.58 2b8vA1 VAL 282 HB 0.08 0.11 0.04 -0.04 2.12 2.30 2b8vA1 VAL 282 HG13 0.09 0.00 -0.03 -0.04 0.97 0.99 2b8vA1 VAL 282 HG23 0.06 -0.04 -0.06 -0.04 0.95 0.87 2b8vA1 ILE 283 H 0.13 0.59 0.30 -0.55 8.25 8.72 2b8vA1 ILE 283 HA 0.02 0.22 1.10 -0.75 4.18 4.76 2b8vA1 ILE 283 HB 0.04 -0.05 0.08 -0.04 1.89 1.92 2b8vA1 ILE 283 HG12 -0.05 0.03 -0.14 -0.04 1.49 1.29 2b8vA1 ILE 283 HG13 0.07 0.03 -0.47 -0.04 1.21 0.79 2b8vA1 ILE 283 HG23 -0.06 0.00 -0.11 -0.04 0.93 0.71 2b8vA1 ILE 283 HD13 -0.45 -0.00 -0.11 -0.04 0.88 0.28 2b8vA1 SER 284 H -0.03 0.67 0.34 -0.55 8.46 8.90 2b8vA1 SER 284 HA -0.08 0.41 1.30 -0.75 4.49 5.36 2b8vA1 SER 284 HB2 -0.04 -0.13 0.01 -0.04 3.95 3.75 2b8vA1 SER 284 HB3 -0.24 0.03 -0.14 -0.04 3.93 3.53 2b8vA1 LEU 285 H -0.21 0.67 0.39 -0.55 8.37 8.68 2b8vA1 LEU 285 HA -0.15 0.19 1.06 -0.75 4.35 4.69 2b8vA1 LEU 285 HB2 -0.26 -0.01 0.15 -0.04 1.64 1.48 2b8vA1 LEU 285 HB3 -0.22 0.02 0.01 -0.04 1.64 1.41 2b8vA1 LEU 285 HG -0.11 0.00 -0.15 -0.04 1.64 1.34 2b8vA1 LEU 285 HD13 -0.12 -0.00 -0.07 -0.04 0.93 0.70 2b8vA1 LEU 285 HD23 -0.17 0.02 -0.05 -0.04 0.89 0.65 2b8vA1 TYR 286 H 0.02 0.71 0.38 -0.55 8.29 8.84 2b8vA1 TYR 286 HA -0.38 0.25 1.02 -0.75 4.56 4.69 2b8vA1 TYR 286 HB2 -0.20 -0.13 0.13 -0.04 3.06 2.82 2b8vA1 TYR 286 HB3 -0.22 0.03 -0.08 -0.04 2.98 2.66 2b8vA1 TYR 286 HD2 -0.26 0.03 -0.32 -0.04 7.15 6.56 2b8vA1 TYR 286 HE2 -0.83 -0.01 -0.24 -0.04 6.85 5.73 2b8vA1 LEU 287 H -0.70 0.68 0.40 -0.55 8.37 8.21 2b8vA1 LEU 287 HA -0.22 0.22 1.11 -0.75 4.35 4.70 2b8vA1 LEU 287 HB2 -1.30 -0.00 0.01 -0.04 1.64 0.30 2b8vA1 LEU 287 HB3 -0.30 0.08 0.06 -0.04 1.64 1.44 2b8vA1 LEU 287 HG -0.57 -0.05 -0.31 -0.04 1.64 0.67 2b8vA1 LEU 287 HD13 -0.70 0.00 -0.12 -0.04 0.93 0.07 2b8vA1 LEU 287 HD23 -0.20 -0.00 -0.17 -0.04 0.89 0.48 2b8vA1 MET 288 H -0.04 0.44 0.31 -0.55 8.47 8.64 2b8vA1 MET 288 HA 0.04 -0.04 0.52 -0.75 4.52 4.28 2b8vA1 MET 288 HB2 0.04 -0.05 0.12 -0.04 2.15 2.22 2b8vA1 MET 288 HB3 0.07 -0.02 0.22 -0.04 2.03 2.26 2b8vA1 MET 288 HG2 0.10 0.36 -0.09 -0.04 2.63 2.96 2b8vA1 MET 288 HG3 0.07 -0.13 0.06 -0.04 2.56 2.51 2b8vA1 MET 288 HE3 0.05 -0.05 -0.18 -0.04 2.10 1.89 2b8vA1 GLY 289 H 0.15 0.42 0.48 -0.55 8.43 8.94 2b8vA1 GLY 289 HA2 0.44 0.30 0.76 -0.51 4.01 4.99 2b8vA1 GLY 289 HA3 0.32 -0.06 0.35 -0.51 4.01 4.11 2b8vA1 GLU 290 H 0.21 0.10 0.17 -0.55 8.60 8.54 2b8vA1 GLU 290 HA 0.10 0.20 0.69 -0.75 4.29 4.53 2b8vA1 GLU 290 HB2 0.07 -0.05 0.07 -0.04 2.09 2.15 2b8vA1 GLU 290 HB3 0.03 -0.00 0.09 -0.04 1.99 2.07 2b8vA1 GLU 290 HG2 0.11 0.06 -0.22 -0.04 2.34 2.25 2b8vA1 GLU 290 HG3 0.15 0.07 -0.11 -0.04 2.34 2.41 2b8vA1 VAL 291 H 0.13 0.09 -0.11 -0.55 8.24 7.81 2b8vA1 VAL 291 HA 0.05 0.18 0.90 -0.75 4.13 4.52 2b8vA1 VAL 291 HB 0.10 -0.04 0.05 -0.04 2.12 2.19 2b8vA1 VAL 291 HG13 0.05 0.05 -0.05 -0.04 0.97 0.98 2b8vA1 VAL 291 HG23 0.04 -0.00 -0.09 -0.04 0.95 0.86 2b8vA1 THR 292 H 0.05 0.13 0.12 -0.55 8.28 8.03 2b8vA1 THR 292 HA 0.05 0.01 0.41 -0.75 4.39 4.11 2b8vA1 THR 292 HB 0.03 0.02 0.11 -0.04 4.32 4.44 2b8vA1 THR 292 HG23 0.03 -0.00 -0.03 -0.04 1.22 1.17 2b8vA1 ASN 293 H 0.05 0.06 0.24 -0.55 8.53 8.34 2b8vA1 ASN 293 HA 0.05 0.16 0.49 -0.75 4.76 4.70 2b8vA1 ASN 293 HB2 0.04 0.22 -0.04 -0.04 2.88 3.05 2b8vA1 ASN 293 HB3 0.04 -0.07 0.15 -0.04 2.79 2.88 2b8vA1 ASN 293 HD21 0.02 -0.03 -0.02 -0.04 7.03 6.96 2b8vA1 ASN 293 HD22 0.03 0.09 -0.09 -0.04 7.74 7.72 2b8vA1 GLN 294 H 0.09 0.44 -0.20 -0.55 8.47 8.26 2b8vA1 GLN 294 HA 0.12 0.36 1.16 -0.75 4.36 5.24 2b8vA1 GLN 294 HB2 0.11 0.03 -0.05 -0.04 2.15 2.21 2b8vA1 GLN 294 HB3 0.14 0.00 0.07 -0.04 2.02 2.19 2b8vA1 GLN 294 HG2 0.19 0.08 0.18 -0.04 2.40 2.81 2b8vA1 GLN 294 HG3 0.20 -0.02 0.04 -0.04 2.39 2.56 2b8vA1 GLN 294 HE21 0.55 -0.05 -0.08 -0.04 6.97 7.35 2b8vA1 GLN 294 HE22 0.42 0.17 -0.12 -0.04 7.69 8.12 2b8vA1 SER 295 H 0.18 0.48 0.35 -0.55 8.46 8.92 2b8vA1 SER 295 HA 0.17 0.20 0.93 -0.75 4.49 5.04 2b8vA1 SER 295 HB2 0.04 0.14 0.04 -0.04 3.95 4.14 2b8vA1 SER 295 HB3 0.09 -0.07 -0.19 -0.04 3.93 3.72 2b8vA1 PHE 296 H -0.24 0.58 0.36 -0.55 8.34 8.48 2b8vA1 PHE 296 HA -0.09 0.09 0.73 -0.75 4.62 4.60 2b8vA1 PHE 296 HB2 -0.91 0.14 0.04 -0.04 3.15 2.38 2b8vA1 PHE 296 HB3 -0.42 -0.04 -0.12 -0.04 3.06 2.45 2b8vA1 PHE 296 HD2 -0.10 -0.00 -0.27 -0.04 7.28 6.87 2b8vA1 PHE 296 HE2 -0.10 0.13 -0.37 -0.04 7.38 7.00 2b8vA1 PHE 296 HZ 0.02 0.04 -0.26 -0.04 7.32 7.07 2b8vA1 ARG 297 H -0.19 0.70 0.37 -0.55 8.46 8.79 2b8vA1 ARG 297 HA -0.66 0.27 1.27 -0.75 4.34 4.47 2b8vA1 ARG 297 HB2 -0.98 0.04 -0.14 -0.04 1.90 0.78 2b8vA1 ARG 297 HB3 -1.96 -0.07 -0.22 -0.04 1.80 -0.50 2b8vA1 ARG 297 HG2 -0.30 0.05 0.02 -0.04 1.67 1.41 2b8vA1 ARG 297 HG3 -0.36 -0.01 -0.31 -0.04 1.67 0.95 2b8vA1 ARG 297 HD2 -0.63 -0.02 -0.21 -0.04 3.22 2.32 2b8vA1 ARG 297 HD3 -1.23 -0.02 -0.18 -0.04 3.22 1.76 2b8vA1 ILE 298 H -0.44 0.63 0.41 -0.55 8.25 8.31 2b8vA1 ILE 298 HA -0.24 0.32 1.11 -0.75 4.18 4.62 2b8vA1 ILE 298 HB -1.08 0.06 0.05 -0.04 1.89 0.88 2b8vA1 ILE 298 HG12 -0.53 0.10 0.18 -0.04 1.49 1.19 2b8vA1 ILE 298 HG13 -0.30 -0.08 0.07 -0.04 1.21 0.86 2b8vA1 ILE 298 HG23 -0.71 -0.01 -0.12 -0.04 0.93 0.04 2b8vA1 ILE 298 HD13 -0.72 0.00 -0.07 -0.04 0.88 0.05 2b8vA1 THR 299 H 0.17 0.68 0.39 -0.55 8.28 8.96 2b8vA1 THR 299 HA 0.02 0.33 1.20 -0.75 4.39 5.19 2b8vA1 THR 299 HB 0.03 -0.06 0.12 -0.04 4.32 4.37 2b8vA1 THR 299 HG23 0.03 0.01 -0.23 -0.04 1.22 0.98 2b8vA1 ILE 300 H 0.09 0.60 0.40 -0.55 8.25 8.79 2b8vA1 ILE 300 HA -0.04 0.17 1.09 -0.75 4.18 4.64 2b8vA1 ILE 300 HB 0.04 0.02 0.19 -0.04 1.89 2.10 2b8vA1 ILE 300 HG12 0.11 0.05 0.11 -0.04 1.49 1.71 2b8vA1 ILE 300 HG13 0.21 -0.07 -0.12 -0.04 1.21 1.20 2b8vA1 ILE 300 HG23 0.09 0.01 -0.01 -0.04 0.93 0.98 2b8vA1 ILE 300 HD13 0.14 -0.00 -0.13 -0.04 0.88 0.85 2b8vA1 LEU 301 H -0.02 0.15 0.21 -0.55 8.37 8.16 2b8vA1 LEU 301 HA 0.09 0.25 0.82 -0.75 4.35 4.75 2b8vA1 LEU 301 HB2 -0.11 -0.07 0.06 -0.04 1.64 1.47 2b8vA1 LEU 301 HB3 -0.03 0.08 0.09 -0.04 1.64 1.74 2b8vA1 LEU 301 HG -0.01 -0.04 -0.15 -0.04 1.64 1.40 2b8vA1 LEU 301 HD13 0.03 0.03 -0.12 -0.04 0.93 0.82 2b8vA1 LEU 301 HD23 0.04 0.05 -0.37 -0.04 0.89 0.58 2b8vA1 PRO 302 HA -1.73 0.05 0.45 -0.51 4.44 2.70 2b8vA1 PRO 302 HB2 0.01 0.01 -0.03 -0.04 2.28 2.23 2b8vA1 PRO 302 HB3 -0.15 0.10 0.05 -0.04 2.02 1.98 2b8vA1 PRO 302 HG2 0.20 -0.09 0.03 -0.04 2.03 2.13 2b8vA1 PRO 302 HG3 0.31 0.37 0.08 -0.04 2.03 2.74 2b8vA1 PRO 302 HD2 0.04 0.01 0.13 -0.04 3.68 3.82 2b8vA1 PRO 302 HD3 0.14 0.37 -0.07 -0.04 3.65 4.06 2b8vA1 GLN 303 H -0.34 0.07 -0.34 -0.55 8.47 7.31 2b8vA1 GLN 303 HA -0.68 0.13 0.38 -0.75 4.36 3.43 2b8vA1 GLN 303 HB2 -0.41 0.03 -0.02 -0.04 2.15 1.71 2b8vA1 GLN 303 HB3 -0.46 0.04 -0.06 -0.04 2.02 1.50 2b8vA1 GLN 303 HG2 -1.06 0.04 -0.17 -0.04 2.40 1.18 2b8vA1 GLN 303 HG3 -2.90 0.01 -0.06 -0.04 2.39 -0.61 2b8vA1 GLN 303 HE21 -0.46 -0.09 -0.12 -0.04 6.97 6.26 2b8vA1 GLN 303 HE22 -1.01 0.10 -0.23 -0.04 7.69 6.51 2b8vA1 GLN 304 H -0.17 0.25 -0.40 -0.55 8.47 7.60 2b8vA1 GLN 304 HA -0.03 0.15 0.78 -0.75 4.36 4.50 2b8vA1 GLN 304 HB2 -0.01 -0.05 0.20 -0.04 2.15 2.25 2b8vA1 GLN 304 HB3 0.03 0.28 0.09 -0.04 2.02 2.38 2b8vA1 GLN 304 HG2 -0.10 0.01 0.03 -0.04 2.40 2.30 2b8vA1 GLN 304 HG3 -0.04 0.02 -0.05 -0.04 2.39 2.27 2b8vA1 GLN 304 HE21 0.01 0.43 0.08 -0.04 6.97 7.44 2b8vA1 GLN 304 HE22 -0.04 -0.02 -0.06 -0.04 7.69 7.53 2b8vA1 TYR 305 H -0.18 0.21 0.01 -0.55 8.29 7.78 2b8vA1 TYR 305 HA -0.05 0.20 0.78 -0.75 4.56 4.74 2b8vA1 TYR 305 HB2 -0.17 -0.08 0.05 -0.04 3.06 2.81 2b8vA1 TYR 305 HB3 -0.04 -0.02 -0.04 -0.04 2.98 2.84 2b8vA1 TYR 305 HD2 0.03 -0.05 -0.22 -0.04 7.15 6.87 2b8vA1 TYR 305 HE2 0.20 0.05 -0.14 -0.04 6.85 6.91 2b8vA1 LEU 306 H -0.11 0.51 -0.27 -0.55 8.37 7.96 2b8vA1 LEU 306 HA 0.10 0.16 0.83 -0.75 4.35 4.68 2b8vA1 LEU 306 HB2 0.03 0.11 0.12 -0.04 1.64 1.85 2b8vA1 LEU 306 HB3 -0.09 -0.06 -0.08 -0.04 1.64 1.37 2b8vA1 LEU 306 HG -0.56 -0.06 -0.06 -0.04 1.64 0.92 2b8vA1 LEU 306 HD13 -1.09 -0.02 -0.12 -0.04 0.93 -0.34 2b8vA1 LEU 306 HD23 0.10 0.01 -0.13 -0.04 0.89 0.83 2b8vA1 ARG 307 H 0.14 0.45 0.14 -0.55 8.46 8.64 2b8vA1 ARG 307 HA 0.21 0.23 0.87 -0.75 4.34 4.90 2b8vA1 ARG 307 HB2 0.09 -0.04 0.10 -0.04 1.90 2.01 2b8vA1 ARG 307 HB3 0.08 0.06 0.05 -0.04 1.80 1.94 2b8vA1 ARG 307 HG2 0.08 0.04 -0.04 -0.04 1.67 1.72 2b8vA1 ARG 307 HG3 0.07 -0.01 -0.21 -0.04 1.67 1.49 2b8vA1 ARG 307 HD2 0.06 0.02 -0.04 -0.04 3.22 3.21 2b8vA1 ARG 307 HD3 0.04 -0.06 -0.04 -0.04 3.22 3.13 2b8vA1 PRO 308 HA -0.33 0.33 0.59 -0.51 4.44 4.52 2b8vA1 PRO 308 HB2 -0.01 -0.05 0.01 -0.04 2.28 2.18 2b8vA1 PRO 308 HB3 -0.14 0.02 0.11 -0.04 2.02 1.97 2b8vA1 PRO 308 HG2 0.13 -0.04 0.11 -0.04 2.03 2.18 2b8vA1 PRO 308 HG3 0.29 0.07 0.07 -0.04 2.03 2.42 2b8vA1 PRO 308 HD2 0.10 0.03 0.24 -0.04 3.68 4.01 2b8vA1 PRO 308 HD3 0.25 0.31 0.35 -0.04 3.65 4.53 2b8vA1 VAL 309 H -0.15 0.40 0.30 -0.55 8.24 8.24 2b8vA1 VAL 309 HA -0.02 0.08 0.83 -0.75 4.13 4.27 2b8vA1 VAL 309 HB -0.03 -0.04 -0.06 -0.04 2.12 1.96 2b8vA1 VAL 309 HG13 -0.00 0.02 -0.10 -0.04 0.97 0.85 2b8vA1 VAL 309 HG23 0.02 0.02 -0.32 -0.04 0.95 0.64 2b8vA1 GLU 310 H -0.02 0.08 0.04 -0.55 8.60 8.15 2b8vA1 GLU 310 HA -0.03 0.10 0.20 -0.75 4.29 3.81 2b8vA1 GLU 310 HB2 -0.02 0.01 0.09 -0.04 2.09 2.13 2b8vA1 GLU 310 HB3 -0.02 0.01 0.08 -0.04 1.99 2.01 2b8vA1 GLU 310 HG2 -0.02 0.01 0.03 -0.04 2.34 2.32 2b8vA1 GLU 310 HG3 -0.02 0.01 0.06 -0.04 2.34 2.35 2b8vA1 GLN 316 HA 0.02 -0.02 0.19 -0.75 4.36 3.79 2b8vA1 GLN 316 HB2 0.02 -0.01 0.15 -0.04 2.15 2.27 2b8vA1 GLN 316 HB3 0.03 -0.07 0.20 -0.04 2.02 2.13 2b8vA1 GLN 316 HG2 0.02 0.01 0.07 -0.04 2.40 2.46 2b8vA1 GLN 316 HG3 0.01 0.01 0.07 -0.04 2.39 2.44 2b8vA1 GLN 316 HE21 0.01 0.00 0.03 -0.04 6.97 6.97 2b8vA1 GLN 316 HE22 0.01 -0.00 0.03 -0.04 7.69 7.69 2b8vA1 ASP 317 H 0.01 0.23 0.15 -0.55 8.40 8.24 2b8vA1 ASP 317 HA 0.05 0.23 0.93 -0.75 4.63 5.08 2b8vA1 ASP 317 HB2 -0.00 -0.00 0.27 -0.04 2.71 2.94 2b8vA1 ASP 317 HB3 0.00 -0.03 -0.09 -0.04 2.70 2.53 2b8vA1 ASP 318 H 0.11 0.71 0.11 -0.55 8.40 8.79 2b8vA1 ASP 318 HA -0.06 0.18 0.82 -0.75 4.63 4.81 2b8vA1 ASP 318 HB2 0.27 -0.03 0.16 -0.04 2.71 3.07 2b8vA1 ASP 318 HB3 0.06 0.06 0.03 -0.04 2.70 2.81 2b8vA1 CYS 319 H -0.12 0.30 0.16 -0.55 8.50 8.29 2b8vA1 CYS 319 HA 0.07 0.15 0.78 -0.75 4.58 4.83 2b8vA1 CYS 319 HB2 -0.05 0.12 0.09 -0.04 2.97 3.08 2b8vA1 CYS 319 HB3 0.00 -0.00 -0.11 -0.04 2.97 2.82 2b8vA1 TYR 320 H 0.29 0.52 0.29 -0.55 8.29 8.84 2b8vA1 TYR 320 HA 0.13 0.35 0.90 -0.75 4.56 5.18 2b8vA1 TYR 320 HB2 0.31 -0.03 -0.06 -0.04 3.06 3.25 2b8vA1 TYR 320 HB3 0.16 -0.00 -0.22 -0.04 2.98 2.87 2b8vA1 TYR 320 HD2 0.30 0.09 -0.38 -0.04 7.15 7.13 2b8vA1 TYR 320 HE2 0.22 -0.02 -0.07 -0.04 6.85 6.93 2b8vA1 LYS 321 H 0.23 0.63 0.23 -0.55 8.42 8.95 2b8vA1 LYS 321 HA 0.15 0.15 0.93 -0.75 4.32 4.81 2b8vA1 LYS 321 HB2 0.08 -0.03 -0.11 -0.04 1.87 1.78 2b8vA1 LYS 321 HB3 0.08 0.01 0.04 -0.04 1.79 1.88 2b8vA1 LYS 321 HG2 0.03 0.14 -0.37 -0.04 1.46 1.22 2b8vA1 LYS 321 HG3 0.04 0.04 0.00 -0.04 1.46 1.50 2b8vA1 LYS 321 HD2 0.04 -0.03 -0.05 -0.04 1.69 1.61 2b8vA1 LYS 321 HD3 0.03 -0.07 -0.09 -0.04 1.68 1.51 2b8vA1 LYS 321 HE2 0.02 0.04 -0.03 -0.04 2.99 2.97 2b8vA1 LYS 321 HE3 0.03 0.25 0.10 -0.04 2.99 3.33 2b8vA1 PHE 322 H -0.19 0.23 0.19 -0.55 8.34 8.03 2b8vA1 PHE 322 HA -0.12 0.08 0.62 -0.75 4.62 4.44 2b8vA1 PHE 322 HB2 -1.45 -0.04 0.09 -0.04 3.15 1.70 2b8vA1 PHE 322 HB3 -0.47 0.13 0.29 -0.04 3.06 2.97 2b8vA1 PHE 322 HD2 0.08 0.09 0.04 -0.04 7.28 7.45 2b8vA1 PHE 322 HE2 0.21 0.03 0.02 -0.04 7.38 7.59 2b8vA1 PHE 322 HZ 0.02 -0.05 -0.03 -0.04 7.32 7.21 2b8vA1 ALA 323 H -0.18 0.83 0.43 -0.55 8.40 8.93 2b8vA1 ALA 323 HA -0.10 0.18 0.75 -0.75 4.34 4.41 2b8vA1 ALA 323 HB3 -0.01 -0.01 0.10 -0.04 1.41 1.44 2b8vA1 ILE 324 H -0.86 0.28 -0.26 -0.55 8.25 6.87 2b8vA1 ILE 324 HA -0.12 0.20 1.00 -0.75 4.18 4.51 2b8vA1 ILE 324 HB -0.65 0.00 0.11 -0.04 1.89 1.32 2b8vA1 ILE 324 HG12 -0.18 -0.01 0.01 -0.04 1.49 1.27 2b8vA1 ILE 324 HG13 -0.48 -0.03 -0.17 -0.04 1.21 0.49 2b8vA1 ILE 324 HG23 0.12 -0.00 -0.08 -0.04 0.93 0.92 2b8vA1 ILE 324 HD13 -0.40 -0.01 -0.06 -0.04 0.88 0.37 2b8vA1 SER 325 H -0.02 0.45 0.26 -0.55 8.46 8.61 2b8vA1 SER 325 HA -0.22 0.25 0.90 -0.75 4.49 4.67 2b8vA1 SER 325 HB2 -0.17 -0.04 0.14 -0.04 3.95 3.84 2b8vA1 SER 325 HB3 -0.06 0.12 -0.16 -0.04 3.93 3.79 2b8vA1 GLN 326 H -0.62 0.16 0.18 -0.55 8.47 7.64 2b8vA1 GLN 326 HA -0.28 0.28 0.77 -0.75 4.36 4.38 2b8vA1 GLN 326 HB2 -0.18 -0.05 0.08 -0.04 2.15 1.96 2b8vA1 GLN 326 HB3 -0.83 0.01 0.09 -0.04 2.02 1.24 2b8vA1 GLN 326 HG2 -0.33 0.03 0.12 -0.04 2.40 2.18 2b8vA1 GLN 326 HG3 -0.16 -0.01 -0.17 -0.04 2.39 2.01 2b8vA1 GLN 326 HE21 -0.01 -0.01 -0.00 -0.04 6.97 6.90 2b8vA1 GLN 326 HE22 -0.06 0.02 -0.00 -0.04 7.69 7.61 2b8vA1 SER 327 H -0.05 0.46 0.26 -0.55 8.46 8.58 2b8vA1 SER 327 HA -0.06 0.14 0.75 -0.75 4.49 4.57 2b8vA1 SER 327 HB2 -0.05 0.04 -0.22 -0.04 3.95 3.68 2b8vA1 SER 327 HB3 -0.03 0.05 -0.32 -0.04 3.93 3.59 2b8vA1 SER 328 H -0.04 0.23 0.12 -0.55 8.46 8.23 2b8vA1 SER 328 HA -0.02 0.12 0.96 -0.75 4.49 4.80 2b8vA1 SER 328 HB2 -0.01 0.02 0.19 -0.04 3.95 4.11 2b8vA1 SER 328 HB3 -0.01 -0.01 0.03 -0.04 3.93 3.90 2b8vA1 THR 329 H -0.07 0.08 -0.14 -0.55 8.28 7.60 2b8vA1 THR 329 HA -0.14 0.24 0.89 -0.75 4.39 4.63 2b8vA1 THR 329 HB -0.10 0.03 0.14 -0.04 4.32 4.35 2b8vA1 THR 329 HG23 -0.04 -0.02 -0.16 -0.04 1.22 0.96 2b8vA1 GLY 330 H -0.11 -0.00 -0.19 -0.55 8.43 7.58 2b8vA1 GLY 330 HA2 -0.08 0.15 0.32 -0.51 4.01 3.89 2b8vA1 GLY 330 HA3 -0.10 0.25 0.71 -0.51 4.01 4.36 2b8vA1 THR 331 H -0.01 0.48 0.39 -0.55 8.28 8.60 2b8vA1 THR 331 HA -0.00 0.20 0.68 -0.75 4.39 4.51 2b8vA1 THR 331 HB 0.02 -0.05 0.34 -0.04 4.32 4.58 2b8vA1 THR 331 HG23 -0.01 -0.02 -0.10 -0.04 1.22 1.05 2b8vA1 VAL 332 H -0.02 0.63 0.29 -0.55 8.24 8.59 2b8vA1 VAL 332 HA -0.04 0.15 0.95 -0.75 4.13 4.43 2b8vA1 VAL 332 HB -0.03 -0.10 0.16 -0.04 2.12 2.11 2b8vA1 VAL 332 HG13 -0.03 -0.01 -0.17 -0.04 0.97 0.73 2b8vA1 VAL 332 HG23 -0.09 0.04 -0.27 -0.04 0.95 0.59 2b8vA1 MET 333 H 0.02 0.81 0.26 -0.55 8.47 9.01 2b8vA1 MET 333 HA 0.03 0.04 0.73 -0.75 4.52 4.56 2b8vA1 MET 333 HB2 0.08 0.02 0.31 -0.04 2.15 2.51 2b8vA1 MET 333 HB3 0.08 -0.02 0.12 -0.04 2.03 2.17 2b8vA1 MET 333 HG2 -0.02 -0.00 -0.03 -0.04 2.63 2.53 2b8vA1 MET 333 HG3 0.00 -0.04 -0.10 -0.04 2.56 2.39 2b8vA1 MET 333 HE3 -0.11 0.00 -0.10 -0.04 2.10 1.84 2b8vA1 GLY 334 H 0.03 0.39 0.20 -0.55 8.43 8.50 2b8vA1 GLY 334 HA2 0.05 0.30 0.62 -0.51 4.01 4.47 2b8vA1 GLY 334 HA3 0.04 0.23 0.25 -0.51 4.01 4.02 2b8vA1 ALA 335 H 0.06 0.69 0.35 -0.55 8.40 8.95 2b8vA1 ALA 335 HA 0.07 -0.07 0.39 -0.75 4.34 3.97 2b8vA1 ALA 335 HB3 0.13 0.05 0.14 -0.04 1.41 1.70 2b8vA1 VAL 336 H 0.05 0.39 -0.20 -0.55 8.24 7.93 2b8vA1 VAL 336 HA 0.06 0.20 0.36 -0.75 4.13 3.99 2b8vA1 VAL 336 HB 0.04 -0.13 -0.09 -0.04 2.12 1.89 2b8vA1 VAL 336 HG13 0.08 -0.01 -0.34 -0.04 0.97 0.65 2b8vA1 VAL 336 HG23 0.03 0.18 0.12 -0.04 0.95 1.24 2b8vA1 ILE 337 H 0.08 0.27 -0.39 -0.55 8.25 7.66 2b8vA1 ILE 337 HA 0.16 0.08 0.58 -0.75 4.18 4.25 2b8vA1 ILE 337 HB 0.12 0.12 -0.02 -0.04 1.89 2.07 2b8vA1 ILE 337 HG12 0.06 -0.05 -0.07 -0.04 1.49 1.39 2b8vA1 ILE 337 HG13 0.04 -0.04 0.01 -0.04 1.21 1.17 2b8vA1 ILE 337 HG23 0.21 -0.01 -0.20 -0.04 0.93 0.89 2b8vA1 ILE 337 HD13 0.06 0.01 -0.07 -0.04 0.88 0.83 2b8vA1 MET 338 H 0.12 0.53 -0.02 -0.55 8.47 8.56 2b8vA1 MET 338 HA 0.26 0.00 0.32 -0.75 4.52 4.34 2b8vA1 MET 338 HB2 0.05 0.04 0.01 -0.04 2.15 2.21 2b8vA1 MET 338 HB3 0.03 -0.03 0.02 -0.04 2.03 2.02 2b8vA1 MET 338 HG2 0.11 -0.04 -0.05 -0.04 2.63 2.62 2b8vA1 MET 338 HG3 0.13 0.15 -0.08 -0.04 2.56 2.72 2b8vA1 MET 338 HE3 0.15 0.00 -0.04 -0.04 2.10 2.17 2b8vA1 GLU 339 H 0.03 0.62 -0.24 -0.55 8.60 8.46 2b8vA1 GLU 339 HA -0.04 0.34 0.62 -0.75 4.29 4.46 2b8vA1 GLU 339 HB2 0.02 0.12 0.09 -0.04 2.09 2.27 2b8vA1 GLU 339 HB3 0.02 -0.16 0.17 -0.04 1.99 1.97 2b8vA1 GLU 339 HG2 0.04 0.02 -0.16 -0.04 2.34 2.20 2b8vA1 GLU 339 HG3 0.05 -0.01 0.05 -0.04 2.34 2.39 2b8vA1 GLY 340 H -0.19 0.41 -0.36 -0.55 8.43 7.74 2b8vA1 GLY 340 HA2 -0.32 0.10 0.92 -0.51 4.01 4.19 2b8vA1 GLY 340 HA3 -0.85 -0.03 0.39 -0.51 4.01 3.01 2b8vA1 PHE 341 H -0.06 0.47 -0.08 -0.55 8.34 8.12 2b8vA1 PHE 341 HA 0.03 0.01 1.16 -0.75 4.62 5.07 2b8vA1 PHE 341 HB2 0.11 -0.02 -0.13 -0.04 3.15 3.07 2b8vA1 PHE 341 HB3 0.10 0.02 0.09 -0.04 3.06 3.22 2b8vA1 PHE 341 HD2 0.07 0.04 -0.25 -0.04 7.28 7.10 2b8vA1 PHE 341 HE2 -0.04 0.03 -0.07 -0.04 7.38 7.26 2b8vA1 PHE 341 HZ -0.07 -0.08 -0.26 -0.04 7.32 6.86 2b8vA1 TYR 342 H 0.29 0.67 0.26 -0.55 8.29 8.96 2b8vA1 TYR 342 HA -0.02 0.17 0.82 -0.75 4.56 4.78 2b8vA1 TYR 342 HB2 0.09 0.13 -0.05 -0.04 3.06 3.18 2b8vA1 TYR 342 HB3 -0.05 -0.07 0.02 -0.04 2.98 2.84 2b8vA1 TYR 342 HD2 -0.25 0.06 -0.22 -0.04 7.15 6.69 2b8vA1 TYR 342 HE2 -0.06 -0.03 -0.25 -0.04 6.85 6.47 2b8vA1 VAL 343 H -0.21 0.75 0.35 -0.55 8.24 8.58 2b8vA1 VAL 343 HA -0.75 0.38 1.11 -0.75 4.13 4.12 2b8vA1 VAL 343 HB -0.26 -0.08 0.18 -0.04 2.12 1.92 2b8vA1 VAL 343 HG13 -1.29 -0.00 -0.13 -0.04 0.97 -0.50 2b8vA1 VAL 343 HG23 -0.22 0.04 -0.14 -0.04 0.95 0.60 2b8vA1 VAL 344 H -0.79 0.62 0.25 -0.55 8.24 7.77 2b8vA1 VAL 344 HA -0.54 0.15 1.00 -0.75 4.13 3.98 2b8vA1 VAL 344 HB -0.44 -0.12 0.13 -0.04 2.12 1.65 2b8vA1 VAL 344 HG13 -0.18 0.00 -0.28 -0.04 0.97 0.47 2b8vA1 VAL 344 HG23 -0.63 0.02 -0.25 -0.04 0.95 0.05 2b8vA1 PHE 345 H -0.44 0.69 0.39 -0.55 8.34 8.42 2b8vA1 PHE 345 HA -0.47 0.13 0.75 -0.75 4.62 4.28 2b8vA1 PHE 345 HB2 -2.08 0.10 0.30 -0.04 3.15 1.43 2b8vA1 PHE 345 HB3 -1.10 -0.02 0.13 -0.04 3.06 2.03 2b8vA1 PHE 345 HD2 -1.14 0.05 -0.01 -0.04 7.28 6.14 2b8vA1 PHE 345 HE2 -0.39 0.03 -0.02 -0.04 7.38 6.96 2b8vA1 PHE 345 HZ -0.21 -0.04 -0.09 -0.04 7.32 6.93 2b8vA1 ASP 346 H -0.14 0.56 0.12 -0.55 8.40 8.39 2b8vA1 ASP 346 HA -0.04 0.04 0.59 -0.75 4.63 4.46 2b8vA1 ASP 346 HB2 0.02 -0.02 -0.05 -0.04 2.71 2.62 2b8vA1 ASP 346 HB3 0.00 0.14 0.13 -0.04 2.70 2.93 2b8vA1 ARG 347 H 0.05 0.41 0.18 -0.55 8.46 8.54 2b8vA1 ARG 347 HA 0.25 0.02 0.40 -0.75 4.34 4.25 2b8vA1 ARG 347 HB2 0.23 0.16 0.06 -0.04 1.90 2.31 2b8vA1 ARG 347 HB3 0.32 -0.01 0.00 -0.04 1.80 2.07 2b8vA1 ARG 347 HG2 0.37 -0.02 -0.03 -0.04 1.67 1.95 2b8vA1 ARG 347 HG3 0.14 0.01 -0.05 -0.04 1.67 1.73 2b8vA1 ARG 347 HD2 0.09 0.04 -0.04 -0.04 3.22 3.28 2b8vA1 ARG 347 HD3 0.07 -0.02 -0.11 -0.04 3.22 3.12 2b8vA1 ALA 348 H 0.10 0.42 0.03 -0.55 8.40 8.41 2b8vA1 ALA 348 HA 0.09 0.06 0.40 -0.75 4.34 4.13 2b8vA1 ALA 348 HB3 0.06 -0.02 0.04 -0.04 1.41 1.45 2b8vA1 ARG 349 H 0.02 0.13 -0.41 -0.55 8.46 7.64 2b8vA1 ARG 349 HA 0.00 0.22 0.85 -0.75 4.34 4.66 2b8vA1 ARG 349 HB2 -0.09 -0.03 -0.03 -0.04 1.90 1.72 2b8vA1 ARG 349 HB3 -0.08 0.01 0.09 -0.04 1.80 1.78 2b8vA1 ARG 349 HG2 -0.04 0.07 -0.10 -0.04 1.67 1.56 2b8vA1 ARG 349 HG3 -0.03 -0.09 -0.24 -0.04 1.67 1.27 2b8vA1 ARG 349 HD2 -0.08 -0.01 -0.08 -0.04 3.22 3.02 2b8vA1 ARG 349 HD3 -0.15 -0.03 -0.08 -0.04 3.22 2.91 2b8vA1 LYS 350 H 0.07 0.43 -0.33 -0.55 8.42 8.04 2b8vA1 LYS 350 HA 0.12 -0.01 0.35 -0.75 4.32 4.03 2b8vA1 LYS 350 HB2 0.05 0.02 -0.03 -0.04 1.87 1.87 2b8vA1 LYS 350 HB3 0.04 0.07 -0.02 -0.04 1.79 1.84 2b8vA1 LYS 350 HG2 0.08 -0.08 0.23 -0.04 1.46 1.65 2b8vA1 LYS 350 HG3 0.06 -0.08 0.04 -0.04 1.46 1.44 2b8vA1 LYS 350 HD2 0.03 -0.04 0.04 -0.04 1.69 1.68 2b8vA1 LYS 350 HD3 0.03 0.13 -0.00 -0.04 1.68 1.80 2b8vA1 LYS 350 HE2 -0.02 -0.06 0.00 -0.04 2.99 2.87 2b8vA1 LYS 350 HE3 0.01 0.02 -0.01 -0.04 2.99 2.97 2b8vA1 ARG 351 H 0.07 0.52 -0.02 -0.55 8.46 8.48 2b8vA1 ARG 351 HA 0.11 0.10 0.73 -0.75 4.34 4.54 2b8vA1 ARG 351 HB2 0.16 -0.04 -0.15 -0.04 1.90 1.84 2b8vA1 ARG 351 HB3 0.04 0.16 -0.29 -0.04 1.80 1.67 2b8vA1 ARG 351 HG2 -0.06 -0.02 -0.30 -0.04 1.67 1.25 2b8vA1 ARG 351 HG3 0.03 -0.11 -0.29 -0.04 1.67 1.26 2b8vA1 ARG 351 HD2 -0.44 -0.05 -0.20 -0.04 3.22 2.50 2b8vA1 ARG 351 HD3 -0.22 0.10 -0.14 -0.04 3.22 2.91 2b8vA1 ILE 352 H 0.13 0.72 0.26 -0.55 8.25 8.81 2b8vA1 ILE 352 HA -0.28 0.31 1.14 -0.75 4.18 4.60 2b8vA1 ILE 352 HB 0.01 0.00 0.07 -0.04 1.89 1.93 2b8vA1 ILE 352 HG12 -0.38 -0.01 -0.08 -0.04 1.49 0.97 2b8vA1 ILE 352 HG13 0.03 -0.07 -0.44 -0.04 1.21 0.69 2b8vA1 ILE 352 HG23 -0.86 0.00 -0.17 -0.04 0.93 -0.15 2b8vA1 ILE 352 HD13 0.06 -0.01 -0.13 -0.04 0.88 0.77 2b8vA1 GLY 353 H -0.48 0.50 0.36 -0.55 8.43 8.26 2b8vA1 GLY 353 HA2 -0.66 0.33 0.90 -0.51 4.01 4.07 2b8vA1 GLY 353 HA3 -1.13 -0.06 0.25 -0.51 4.01 2.56 2b8vA1 PHE 354 H -0.25 0.53 0.37 -0.55 8.34 8.43 2b8vA1 PHE 354 HA -0.25 0.30 0.97 -0.75 4.62 4.88 2b8vA1 PHE 354 HB2 -0.11 -0.01 0.08 -0.04 3.15 3.07 2b8vA1 PHE 354 HB3 -0.38 0.00 -0.04 -0.04 3.06 2.60 2b8vA1 PHE 354 HD2 -0.25 0.06 -0.18 -0.04 7.28 6.88 2b8vA1 PHE 354 HE2 -0.10 -0.00 -0.16 -0.04 7.38 7.07 2b8vA1 PHE 354 HZ -0.14 -0.04 -0.13 -0.04 7.32 6.97 2b8vA1 ALA 355 H 0.09 0.44 0.29 -0.55 8.40 8.67 2b8vA1 ALA 355 HA 0.14 0.21 0.70 -0.75 4.34 4.63 2b8vA1 ALA 355 HB3 -0.02 0.02 -0.18 -0.04 1.41 1.19 2b8vA1 VAL 356 H 0.21 0.22 0.15 -0.55 8.24 8.27 2b8vA1 VAL 356 HA 0.15 0.11 0.47 -0.75 4.13 4.11 2b8vA1 VAL 356 HB 0.11 -0.02 0.10 -0.04 2.12 2.27 2b8vA1 VAL 356 HG13 -0.08 0.04 -0.15 -0.04 0.97 0.73 2b8vA1 VAL 356 HG23 0.09 -0.00 -0.02 -0.04 0.95 0.97 2b8vA1 SER 357 H -0.08 0.51 0.37 -0.55 8.46 8.72 2b8vA1 SER 357 HA 0.14 0.17 0.60 -0.75 4.49 4.65 2b8vA1 SER 357 HB2 0.08 -0.01 -0.35 -0.04 3.95 3.63 2b8vA1 SER 357 HB3 0.04 0.08 -0.15 -0.04 3.93 3.86 2b8vA1 ALA 358 H 0.04 0.60 0.10 -0.55 8.40 8.60 2b8vA1 ALA 358 HA 0.05 0.07 0.31 -0.75 4.34 4.01 2b8vA1 ALA 358 HB3 -0.03 -0.02 -0.10 -0.04 1.41 1.22 2b8vA1 CYS 359 H 0.06 -0.03 -0.48 -0.55 8.50 7.51 2b8vA1 CYS 359 HA -0.01 0.26 0.89 -0.75 4.58 4.97 2b8vA1 CYS 359 HB2 -0.00 0.05 0.03 -0.04 2.97 3.01 2b8vA1 CYS 359 HB3 -0.00 -0.05 -0.14 -0.04 2.97 2.74 2b8vA1 HIS 360 H 0.18 0.19 -0.23 -0.55 8.41 8.00 2b8vA1 HIS 360 HA -0.04 0.10 0.48 -0.75 4.63 4.41 2b8vA1 HIS 360 HB2 -0.14 0.03 0.29 -0.04 3.26 3.40 2b8vA1 HIS 360 HB3 -0.11 -0.06 0.13 -0.04 3.20 3.12 2b8vA1 HIS 360 HD2 -0.11 0.10 -0.14 -0.04 6.97 6.77 2b8vA1 HIS 360 HE1 -0.31 -0.00 -0.02 -0.04 7.75 7.37 2b8vA1 VAL 361 H -0.02 0.10 0.18 -0.55 8.24 7.95 2b8vA1 VAL 361 HA -0.21 0.14 0.60 -0.75 4.13 3.91 2b8vA1 VAL 361 HB -0.15 -0.06 0.08 -0.04 2.12 1.96 2b8vA1 VAL 361 HG13 -0.28 -0.01 -0.08 -0.04 0.97 0.56 2b8vA1 VAL 361 HG23 -0.06 -0.03 -0.07 -0.04 0.95 0.75 2b8vA1 HIS 362 H -0.46 0.32 0.25 -0.55 8.41 7.97 2b8vA1 HIS 362 HA -0.27 -0.01 0.56 -0.75 4.63 4.15 2b8vA1 HIS 362 HB2 -0.08 0.24 0.36 -0.04 3.26 3.74 2b8vA1 HIS 362 HB3 -0.11 -0.06 -0.10 -0.04 3.20 2.89 2b8vA1 HIS 362 HD2 -0.09 0.32 -0.01 -0.04 6.97 7.15 2b8vA1 HIS 362 HE1 -0.29 0.05 -0.06 -0.04 7.75 7.41 2b8vA1 ASP 363 H 0.04 0.33 0.25 -0.55 8.40 8.48 2b8vA1 ASP 363 HA -0.19 0.26 0.90 -0.75 4.63 4.85 2b8vA1 ASP 363 HB2 0.07 -0.12 0.23 -0.04 2.71 2.84 2b8vA1 ASP 363 HB3 -0.09 0.10 -0.02 -0.04 2.70 2.65 2b8vA1 GLU 364 H -0.12 0.14 0.16 -0.55 8.60 8.24 2b8vA1 GLU 364 HA -0.12 0.19 0.49 -0.75 4.29 4.09 2b8vA1 GLU 364 HB2 -0.38 0.03 0.12 -0.04 2.09 1.82 2b8vA1 GLU 364 HB3 -0.22 0.03 0.11 -0.04 1.99 1.86 2b8vA1 GLU 364 HG2 -0.35 -0.08 0.12 -0.04 2.34 1.99 2b8vA1 GLU 364 HG3 -1.75 0.03 -0.12 -0.04 2.34 0.46 2b8vA1 PHE 365 H 0.09 -0.08 -0.25 -0.55 8.34 7.55 2b8vA1 PHE 365 HA 0.03 0.25 0.91 -0.75 4.62 5.06 2b8vA1 PHE 365 HB2 0.04 -0.04 0.00 -0.04 3.15 3.12 2b8vA1 PHE 365 HB3 0.04 0.04 0.02 -0.04 3.06 3.12 2b8vA1 PHE 365 HD2 0.04 -0.01 -0.00 -0.04 7.28 7.27 2b8vA1 PHE 365 HE2 0.03 0.01 -0.02 -0.04 7.38 7.36 2b8vA1 PHE 365 HZ 0.02 0.02 -0.02 -0.04 7.32 7.30 2b8vA1 ARG 366 H 0.16 -0.00 -0.01 -0.55 8.46 8.05 2b8vA1 ARG 366 HA 0.09 0.24 0.85 -0.75 4.34 4.77 2b8vA1 ARG 366 HB2 0.10 -0.09 -0.04 -0.04 1.90 1.82 2b8vA1 ARG 366 HB3 0.08 0.05 -0.01 -0.04 1.80 1.87 2b8vA1 ARG 366 HG2 0.10 0.13 -0.10 -0.04 1.67 1.76 2b8vA1 ARG 366 HG3 0.16 -0.13 -0.43 -0.04 1.67 1.22 2b8vA1 ARG 366 HD2 0.08 -0.02 -0.06 -0.04 3.22 3.18 2b8vA1 ARG 366 HD3 0.08 0.04 -0.07 -0.04 3.22 3.24 2b8vA1 THR 367 H 0.04 0.30 0.15 -0.55 8.28 8.23 2b8vA1 THR 367 HA 0.06 0.10 0.76 -0.75 4.39 4.55 2b8vA1 THR 367 HB -0.15 0.05 -0.14 -0.04 4.32 4.04 2b8vA1 THR 367 HG23 -0.01 0.00 -0.09 -0.04 1.22 1.08 2b8vA1 ALA 368 H 0.09 0.14 0.14 -0.55 8.40 8.22 2b8vA1 ALA 368 HA -0.09 0.10 0.52 -0.75 4.34 4.12 2b8vA1 ALA 368 HB3 -0.67 0.01 0.24 -0.04 1.41 0.95 2b8vA1 ALA 369 H 0.11 0.41 0.40 -0.55 8.40 8.78 2b8vA1 ALA 369 HA 0.06 0.14 0.70 -0.75 4.34 4.48 2b8vA1 ALA 369 HB3 0.02 0.02 -0.11 -0.04 1.41 1.30 2b8vA1 VAL 370 H 0.07 0.30 0.13 -0.55 8.24 8.19 2b8vA1 VAL 370 HA -0.07 0.31 0.96 -0.75 4.13 4.57 2b8vA1 VAL 370 HB 0.16 -0.02 0.21 -0.04 2.12 2.43 2b8vA1 VAL 370 HG13 0.03 0.05 -0.09 -0.04 0.97 0.92 2b8vA1 VAL 370 HG23 0.07 -0.03 -0.33 -0.04 0.95 0.62 2b8vA1 GLU 371 H -0.18 0.57 0.29 -0.55 8.60 8.73 2b8vA1 GLU 371 HA -0.21 0.21 1.01 -0.75 4.29 4.55 2b8vA1 GLU 371 HB2 0.05 -0.05 -0.03 -0.04 2.09 2.02 2b8vA1 GLU 371 HB3 -0.04 0.04 0.05 -0.04 1.99 2.00 2b8vA1 GLU 371 HG2 0.01 0.09 -0.14 -0.04 2.34 2.26 2b8vA1 GLU 371 HG3 -0.02 -0.15 -0.45 -0.04 2.34 1.68 2b8vA1 GLY 372 H -0.43 0.39 0.27 -0.55 8.43 8.11 2b8vA1 GLY 372 HA2 -0.88 0.04 0.38 -0.51 4.01 3.04 2b8vA1 GLY 372 HA3 -1.57 0.05 0.44 -0.51 4.01 2.42 2b8vA1 PRO 373 HA -0.35 0.19 0.57 -0.51 4.44 4.34 2b8vA1 PRO 373 HB2 0.11 0.07 0.13 -0.04 2.28 2.55 2b8vA1 PRO 373 HB3 0.39 -0.01 0.12 -0.04 2.02 2.47 2b8vA1 PRO 373 HG2 -0.01 0.02 0.00 -0.04 2.03 1.99 2b8vA1 PRO 373 HG3 0.13 0.02 0.07 -0.04 2.03 2.20 2b8vA1 PRO 373 HD2 -0.03 0.08 0.41 -0.04 3.68 4.10 2b8vA1 PRO 373 HD3 0.31 0.09 0.14 -0.04 3.65 4.14 2b8vA1 PHE 374 H 0.12 0.55 0.37 -0.55 8.34 8.82 2b8vA1 PHE 374 HA 0.03 0.21 0.84 -0.75 4.62 4.94 2b8vA1 PHE 374 HB2 0.11 -0.07 -0.17 -0.04 3.15 2.99 2b8vA1 PHE 374 HB3 0.09 0.01 -0.01 -0.04 3.06 3.11 2b8vA1 PHE 374 HD2 -0.03 -0.02 -0.12 -0.04 7.28 7.07 2b8vA1 PHE 374 HE2 -0.15 0.07 -0.21 -0.04 7.38 7.06 2b8vA1 PHE 374 HZ -0.10 -0.00 -0.18 -0.04 7.32 7.00 2b8vA1 VAL 375 H 0.19 0.18 0.12 -0.55 8.24 8.18 2b8vA1 VAL 375 HA 0.09 0.41 1.09 -0.75 4.13 4.97 2b8vA1 VAL 375 HB 0.07 -0.04 0.18 -0.04 2.12 2.28 2b8vA1 VAL 375 HG13 0.04 0.00 -0.10 -0.04 0.97 0.87 2b8vA1 VAL 375 HG23 0.05 0.01 -0.06 -0.04 0.95 0.92 2b8vA1 THR 376 H 0.07 0.57 0.06 -0.55 8.28 8.43 2b8vA1 THR 376 HA 0.00 0.14 0.84 -0.75 4.39 4.62 2b8vA1 THR 376 HB 0.04 -0.05 -0.12 -0.04 4.32 4.15 2b8vA1 THR 376 HG23 -0.02 0.02 -0.13 -0.04 1.22 1.05 2b8vA1 LEU 377 H 0.00 0.18 0.10 -0.55 8.37 8.11 2b8vA1 LEU 377 HA 0.02 0.12 0.84 -0.75 4.35 4.57 2b8vA1 LEU 377 HB2 0.00 0.04 0.04 -0.04 1.64 1.68 2b8vA1 LEU 377 HB3 0.01 -0.03 0.10 -0.04 1.64 1.68 2b8vA1 LEU 377 HG 0.01 0.01 -0.07 -0.04 1.64 1.55 2b8vA1 LEU 377 HD13 0.01 0.01 -0.01 -0.04 0.93 0.90 2b8vA1 LEU 377 HD23 0.02 0.02 -0.09 -0.04 0.89 0.81 2b8vA1 ASP 378 H 0.01 0.15 0.18 -0.55 8.40 8.21 2b8vA1 ASP 378 HA 0.01 0.01 0.37 -0.75 4.63 4.26 2b8vA1 ASP 378 HB2 0.00 0.21 -0.12 -0.04 2.71 2.75 2b8vA1 ASP 378 HB3 0.00 -0.02 0.20 -0.04 2.70 2.84 2b8vA1 MET 379 H 0.03 0.12 -0.27 -0.55 8.47 7.79 2b8vA1 MET 379 HA 0.02 0.14 0.31 -0.75 4.52 4.24 2b8vA1 MET 379 HB2 0.04 -0.03 0.02 -0.04 2.15 2.13 2b8vA1 MET 379 HB3 0.04 0.04 -0.03 -0.04 2.03 2.04 2b8vA1 MET 379 HG2 0.02 0.02 -0.15 -0.04 2.63 2.49 2b8vA1 MET 379 HG3 0.03 0.06 -0.30 -0.04 2.56 2.32 2b8vA1 MET 379 HE3 0.07 -0.02 -0.01 -0.04 2.10 2.10 2b8vA1 GLU 380 H 0.03 0.00 -0.27 -0.55 8.60 7.81 2b8vA1 GLU 380 HA 0.04 0.13 0.37 -0.75 4.29 4.07 2b8vA1 GLU 380 HB2 0.02 -0.11 0.06 -0.04 2.09 2.02 2b8vA1 GLU 380 HB3 0.02 0.07 -0.11 -0.04 1.99 1.93 2b8vA1 GLU 380 HG2 0.02 0.02 0.01 -0.04 2.34 2.34 2b8vA1 GLU 380 HG3 0.03 0.07 0.04 -0.04 2.34 2.44 2b8vA1 ASP 381 H 0.02 0.24 -0.37 -0.55 8.40 7.74 2b8vA1 ASP 381 HA 0.02 0.13 0.45 -0.75 4.63 4.48 2b8vA1 ASP 381 HB2 0.01 0.11 0.04 -0.04 2.71 2.83 2b8vA1 ASP 381 HB3 0.01 -0.01 0.07 -0.04 2.70 2.72 2b8vA1 CYS 382 H 0.03 0.32 -0.41 -0.55 8.50 7.90 2b8vA1 CYS 382 HA 0.03 -0.10 0.20 -0.75 4.58 3.95 2b8vA1 CYS 382 HB2 0.06 0.09 -0.03 -0.04 2.97 3.05 2b8vA1 CYS 382 HB3 0.07 0.09 -0.10 -0.04 2.97 2.98 2b8vA1 GLY 383 H 0.06 0.19 -0.38 -0.55 8.43 7.76 2b8vA1 GLY 383 HA2 0.13 -0.00 0.40 -0.51 4.01 4.03 2b8vA1 GLY 383 HA3 0.09 0.03 0.22 -0.51 4.01 3.84 2b8vA1 TYR 384 H 0.25 0.14 0.15 -0.55 8.29 8.28 2b8vA1 TYR 384 HA 0.09 0.06 0.59 -0.75 4.56 4.55 2b8vA1 TYR 384 HB2 0.15 -0.04 0.10 -0.04 3.06 3.23 2b8vA1 TYR 384 HB3 0.11 0.19 0.11 -0.04 2.98 3.35 2b8vA1 TYR 384 HD2 0.15 0.08 0.05 -0.04 7.15 7.38 2b8vA1 TYR 384 HE2 0.13 -0.06 0.01 -0.04 6.85 6.89 2b8vA1 ASN 385 H -0.54 0.14 0.08 -0.55 8.53 7.66 2b8vA1 ASN 385 HA -0.25 0.27 0.72 -0.75 4.76 4.74 2b8vA1 ASN 385 HB2 -0.18 -0.02 0.05 -0.04 2.88 2.70 2b8vA1 ASN 385 HB3 -0.15 -0.00 0.04 -0.04 2.79 2.64 2b8vA1 ASN 385 HD21 -0.02 0.06 -0.11 -0.04 7.03 6.91 2b8vA1 ASN 385 HD22 -0.06 -0.06 -0.04 -0.04 7.74 7.54