============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. TYR 40 0.840 22.643 -28.805 -50.131 -99.200 -91.000 PHE 42 1.000 22.359 -31.491 -44.790 -99.200 -91.000 TYR 46 0.840 22.173 -35.387 -39.293 -99.200 -91.000 TRP 51 1.040 20.000 -37.135 -32.977 -99.200 -91.000 TRP6 51 1.020 21.863 -37.710 -34.306 -99.200 -91.000 PHE 61 1.000 17.945 -22.692 -41.569 -99.200 -91.000 PHE 64 1.000 15.665 -19.047 -51.566 -99.200 -91.000 PHE 68 1.000 16.203 -14.416 -55.151 -99.200 -91.000 TYR 88 0.840 4.214 -31.671 -49.595 -99.200 -91.000 TYR 92 0.840 4.242 -20.939 -43.106 -99.200 -91.000 HIS 95 0.900 11.599 -18.107 -42.202 -99.200 -91.000 TYR 97 0.840 8.625 -24.965 -40.606 -99.200 -91.000 HIS 99 0.900 8.254 -32.057 -39.895 -99.200 -91.000 TYR 113 0.840 15.617 -12.966 -47.483 -99.200 -91.000 PHE 130 1.000 25.751 -14.979 -40.219 -99.200 -91.000 HIS 131 0.900 22.017 -18.563 -33.487 -99.200 -91.000 HIS 132 0.900 26.588 -25.759 -38.285 -99.200 -91.000 TRP 134 1.040 30.438 -17.969 -31.497 -99.200 -91.000 TRP6 134 1.020 30.084 -19.016 -29.405 -99.200 -91.000 PHE 152 1.000 18.504 -32.385 -14.845 -99.200 -91.000 TYR 159 0.840 15.245 -29.826 -25.712 -99.200 -91.000 TYR 163 0.840 5.010 -17.761 -27.289 -99.200 -91.000 PHE 168 1.000 16.227 -23.886 -19.219 -99.200 -91.000 TYR 171 0.840 22.455 -20.585 -30.332 -99.200 -91.000 PHE 179 1.000 29.418 -18.550 -18.964 -99.200 -91.000 TYR 180 0.840 27.607 -22.190 -16.246 -99.200 -91.000 PHE 183 1.000 23.607 -32.795 -16.489 -99.200 -91.000 TRP 193 1.040 22.240 -19.917 -13.690 -99.200 -91.000 TRP6 193 1.020 21.280 -21.227 -15.414 -99.200 -91.000 PHE 212 1.000 18.357 -17.201 -17.161 -99.200 -91.000 PHE 213 1.000 19.571 -10.274 -22.811 -99.200 -91.000 PHE 236 1.000 18.399 -25.910 -15.411 -99.200 -91.000 HIS 238 0.900 12.917 -27.478 -5.875 -99.200 -91.000 PHE 243 1.000 21.684 -35.148 -11.159 -99.200 -91.000 PHE 251 1.000 16.684 -35.672 -9.945 -99.200 -91.000 PHE 252 1.000 20.080 -37.342 -16.565 -99.200 -91.000 PHE 273 1.000 -15.508 -22.144 -12.959 -99.200 -91.000 PHE 277 1.000 -12.072 -22.386 -25.874 -99.200 -91.000 TYR 288 0.840 -0.613 -24.932 -26.319 -99.200 -91.000 PHE 299 1.000 -6.426 -16.718 -10.914 -99.200 -91.000 PHE 301 1.000 -16.001 -12.156 -13.949 -99.200 -91.000 PHE 307 1.000 -17.819 -15.407 -7.828 -99.200 -91.000 PHE 314 1.000 -3.012 -23.052 -21.083 -99.200 -91.000 PHE 320 1.000 -15.227 -30.333 -28.294 -99.200 -91.000 TYR 322 0.840 -11.932 -29.815 -22.547 -99.200 -91.000 PHE 325 1.000 -10.772 -20.348 -15.197 -99.200 -91.000 PHE 336 1.000 -21.883 -5.302 -4.295 -99.200 -91.000 PHE 343 1.000 -18.568 13.741 8.890 -99.200 -91.000 PHE 352 1.000 -22.999 6.076 -1.554 -99.200 -91.000 PHE 359 1.000 -31.578 -4.850 1.427 -99.200 -91.000 PHE 362 1.000 -23.589 0.520 6.239 -99.200 -91.000 TRP 368 1.040 -23.089 9.352 4.062 -99.200 -91.000 TRP6 368 1.020 -25.205 8.741 4.937 -99.200 -91.000 TRP 369 1.040 -18.864 2.378 4.643 -99.200 -91.000 TRP6 369 1.020 -17.188 1.230 3.429 -99.200 -91.000 PHE 371 1.000 -25.686 -3.447 4.008 -99.200 -91.000 PHE 376 1.000 -21.394 -12.125 -11.654 -99.200 -91.000 TYR 386 0.840 -14.482 -11.789 -18.448 -99.200 -91.000 HIS 390 0.900 -16.527 -8.114 -20.519 -99.200 -91.000 TRP 391 1.040 -17.718 -12.140 -27.777 -99.200 -91.000 TRP6 391 1.020 -16.701 -11.463 -29.810 -99.200 -91.000 HIS 392 0.900 -12.418 -7.846 -29.653 -99.200 -91.000 TYR 405 0.840 -19.760 -25.292 -27.888 -99.200 -91.000 PHE 406 1.000 -19.507 -19.567 -22.817 -99.200 -91.000 PHE 415 1.000 -14.553 -34.532 -11.134 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dviA1 VAL 3 HA -0.02 0.03 0.17 -0.75 4.13 3.56 2dviA1 VAL 3 HB 0.04 -0.03 -0.07 -0.04 2.12 2.02 2dviA1 VAL 3 HG13 -0.14 0.05 0.03 -0.04 0.97 0.86 2dviA1 VAL 3 HG23 -0.03 -0.15 0.11 -0.04 0.95 0.83 2dviA1 GLU 4 H -0.01 0.23 0.08 -0.55 8.60 8.35 2dviA1 GLU 4 HA 0.01 0.02 0.34 -0.75 4.29 3.90 2dviA1 GLU 4 HB2 -0.01 0.04 0.13 -0.04 2.09 2.22 2dviA1 GLU 4 HB3 -0.01 -0.01 0.12 -0.04 1.99 2.05 2dviA1 GLU 4 HG2 -0.01 0.01 -0.30 -0.04 2.34 1.99 2dviA1 GLU 4 HG3 -0.01 -0.00 -0.00 -0.04 2.34 2.28 2dviA1 GLU 5 H -0.01 0.15 -0.32 -0.55 8.60 7.87 2dviA1 GLU 5 HA -0.02 0.05 0.45 -0.75 4.29 4.03 2dviA1 GLU 5 HB2 -0.01 0.05 -0.00 -0.04 2.09 2.09 2dviA1 GLU 5 HB3 -0.01 0.01 0.05 -0.04 1.99 1.99 2dviA1 GLU 5 HG2 -0.01 -0.04 0.03 -0.04 2.34 2.28 2dviA1 GLU 5 HG3 -0.01 0.07 0.02 -0.04 2.34 2.37 2dviA1 ILE 6 H 0.01 0.19 -0.07 -0.55 8.25 7.82 2dviA1 ILE 6 HA 0.01 -0.02 0.32 -0.75 4.18 3.74 2dviA1 ILE 6 HB 0.11 0.07 0.03 -0.04 1.89 2.07 2dviA1 ILE 6 HG12 0.00 -0.04 0.06 -0.04 1.49 1.47 2dviA1 ILE 6 HG13 0.00 0.23 -0.11 -0.04 1.21 1.29 2dviA1 ILE 6 HG23 0.22 -0.02 -0.35 -0.04 0.93 0.75 2dviA1 ILE 6 HD13 0.05 -0.05 -0.02 -0.04 0.88 0.82 2dviA1 LEU 7 H 0.02 0.67 -0.30 -0.55 8.37 8.21 2dviA1 LEU 7 HA -0.21 0.03 0.39 -0.75 4.35 3.80 2dviA1 LEU 7 HB2 -0.00 0.13 -0.05 -0.04 1.64 1.68 2dviA1 LEU 7 HB3 -0.05 -0.07 -0.02 -0.04 1.64 1.45 2dviA1 LEU 7 HG 0.15 0.11 -0.21 -0.04 1.64 1.65 2dviA1 LEU 7 HD13 0.17 -0.02 -0.11 -0.04 0.93 0.92 2dviA1 LEU 7 HD23 0.19 -0.00 -0.14 -0.04 0.89 0.90 2dviA1 GLU 8 H -0.05 0.43 -0.28 -0.55 8.60 8.16 2dviA1 GLU 8 HA -0.07 0.01 0.48 -0.75 4.29 3.95 2dviA1 GLU 8 HB2 -0.04 0.04 0.18 -0.04 2.09 2.23 2dviA1 GLU 8 HB3 -0.04 0.18 0.24 -0.04 1.99 2.33 2dviA1 GLU 8 HG2 -0.05 -0.03 -0.12 -0.04 2.34 2.10 2dviA1 GLU 8 HG3 -0.04 -0.03 0.04 -0.04 2.34 2.27 2dviA1 LYS 9 H -0.07 0.47 -0.04 -0.55 8.42 8.23 2dviA1 LYS 9 HA -0.06 0.03 0.44 -0.75 4.32 3.97 2dviA1 LYS 9 HB2 -0.05 0.12 0.10 -0.04 1.87 2.00 2dviA1 LYS 9 HB3 -0.04 -0.03 0.04 -0.04 1.79 1.72 2dviA1 LYS 9 HG2 -0.03 -0.03 0.02 -0.04 1.46 1.38 2dviA1 LYS 9 HG3 -0.03 0.12 0.03 -0.04 1.46 1.54 2dviA1 LYS 9 HD2 -0.00 -0.01 -0.03 -0.04 1.69 1.61 2dviA1 LYS 9 HD3 -0.01 -0.01 -0.01 -0.04 1.68 1.62 2dviA1 LYS 9 HE2 -0.01 -0.01 -0.02 -0.04 2.99 2.91 2dviA1 LYS 9 HE3 -0.01 -0.02 -0.08 -0.04 2.99 2.84 2dviA1 ALA 10 H -0.21 0.43 -0.30 -0.55 8.40 7.77 2dviA1 ALA 10 HA -0.35 0.05 0.38 -0.75 4.34 3.66 2dviA1 ALA 10 HB3 -0.95 0.04 0.07 -0.04 1.41 0.53 2dviA1 LEU 11 H -0.19 0.46 -0.34 -0.55 8.37 7.75 2dviA1 LEU 11 HA -0.17 -0.04 0.41 -0.75 4.35 3.80 2dviA1 LEU 11 HB2 -0.10 0.25 0.14 -0.04 1.64 1.88 2dviA1 LEU 11 HB3 -0.10 -0.09 0.07 -0.04 1.64 1.48 2dviA1 LEU 11 HG -0.14 0.32 0.15 -0.04 1.64 1.94 2dviA1 LEU 11 HD13 -0.07 -0.02 0.04 -0.04 0.93 0.84 2dviA1 LEU 11 HD23 -0.12 -0.04 0.01 -0.04 0.89 0.70 2dviA1 GLU 12 H -0.11 0.44 -0.44 -0.55 8.60 7.95 2dviA1 GLU 12 HA -0.06 0.03 0.47 -0.75 4.29 3.97 2dviA1 GLU 12 HB2 -0.05 0.20 0.10 -0.04 2.09 2.29 2dviA1 GLU 12 HB3 -0.04 -0.07 0.12 -0.04 1.99 1.96 2dviA1 GLU 12 HG2 -0.05 -0.07 0.03 -0.04 2.34 2.22 2dviA1 GLU 12 HG3 -0.06 0.09 0.10 -0.04 2.34 2.43 2dviA1 LEU 13 H -0.10 0.47 -0.33 -0.55 8.37 7.86 2dviA1 LEU 13 HA -0.02 0.14 0.84 -0.75 4.35 4.56 2dviA1 LEU 13 HB2 -0.03 0.09 0.06 -0.04 1.64 1.71 2dviA1 LEU 13 HB3 0.02 0.02 0.10 -0.04 1.64 1.74 2dviA1 LEU 13 HG -0.06 0.03 -0.03 -0.04 1.64 1.54 2dviA1 LEU 13 HD13 0.05 -0.00 -0.08 -0.04 0.93 0.85 2dviA1 LEU 13 HD23 0.00 -0.01 -0.11 -0.04 0.89 0.73 2dviA1 VAL 14 H -0.10 0.16 -0.06 -0.55 8.24 7.69 2dviA1 VAL 14 HA -0.05 0.21 1.00 -0.75 4.13 4.54 2dviA1 VAL 14 HB -0.08 -0.08 -0.06 -0.04 2.12 1.85 2dviA1 VAL 14 HG13 -0.02 0.03 -0.09 -0.04 0.97 0.84 2dviA1 VAL 14 HG23 -0.15 0.01 -0.09 -0.04 0.95 0.68 2dviA1 ILE 15 H -0.11 0.52 0.13 -0.55 8.25 8.24 2dviA1 ILE 15 HA -0.21 0.12 0.70 -0.75 4.18 4.04 2dviA1 ILE 15 HB -0.10 0.10 0.14 -0.04 1.89 1.99 2dviA1 ILE 15 HG12 -0.14 -0.03 0.01 -0.04 1.49 1.29 2dviA1 ILE 15 HG13 -0.12 -0.01 0.15 -0.04 1.21 1.18 2dviA1 ILE 15 HG23 -0.14 0.02 -0.09 -0.04 0.93 0.68 2dviA1 ILE 15 HD13 -0.10 -0.02 0.03 -0.04 0.88 0.75 2dviA1 PRO 16 HA -0.02 -0.02 0.45 -0.51 4.44 4.34 2dviA1 PRO 16 HB2 -0.17 0.02 -0.02 -0.04 2.28 2.06 2dviA1 PRO 16 HB3 0.15 -0.10 0.02 -0.04 2.02 2.05 2dviA1 PRO 16 HG2 -1.67 0.03 -0.05 -0.04 2.03 0.30 2dviA1 PRO 16 HG3 -0.49 -0.02 -0.11 -0.04 2.03 1.37 2dviA1 PRO 16 HD2 -0.47 0.06 0.17 -0.04 3.68 3.40 2dviA1 PRO 16 HD3 -0.42 0.32 0.34 -0.04 3.65 3.84 2dviA1 ASP 17 H 0.04 0.05 0.19 -0.55 8.40 8.14 2dviA1 ASP 17 HA -0.00 0.23 0.54 -0.75 4.63 4.64 2dviA1 ASP 17 HB2 0.02 -0.11 0.18 -0.04 2.71 2.76 2dviA1 ASP 17 HB3 0.01 0.20 0.16 -0.04 2.70 3.03 2dviA1 GLU 18 H 0.02 0.23 0.18 -0.55 8.60 8.48 2dviA1 GLU 18 HA 0.05 0.12 0.41 -0.75 4.29 4.11 2dviA1 GLU 18 HB2 0.02 0.01 0.13 -0.04 2.09 2.21 2dviA1 GLU 18 HB3 0.03 0.03 0.08 -0.04 1.99 2.09 2dviA1 GLU 18 HG2 0.01 0.04 0.06 -0.04 2.34 2.41 2dviA1 GLU 18 HG3 0.01 0.00 0.10 -0.04 2.34 2.41 2dviA1 GLU 19 H 0.05 0.08 -0.26 -0.55 8.60 7.92 2dviA1 GLU 19 HA 0.05 0.15 0.54 -0.75 4.29 4.27 2dviA1 GLU 19 HB2 0.05 -0.02 0.06 -0.04 2.09 2.14 2dviA1 GLU 19 HB3 0.04 0.07 0.00 -0.04 1.99 2.06 2dviA1 GLU 19 HG2 0.03 -0.06 0.02 -0.04 2.34 2.30 2dviA1 GLU 19 HG3 0.03 0.07 0.02 -0.04 2.34 2.42 2dviA1 GLU 20 H 0.10 0.14 -0.16 -0.55 8.60 8.14 2dviA1 GLU 20 HA 0.12 0.13 0.51 -0.75 4.29 4.30 2dviA1 GLU 20 HB2 0.14 -0.01 0.11 -0.04 2.09 2.30 2dviA1 GLU 20 HB3 0.24 0.08 0.06 -0.04 1.99 2.32 2dviA1 GLU 20 HG2 0.35 0.00 -0.05 -0.04 2.34 2.60 2dviA1 GLU 20 HG3 0.17 0.06 0.07 -0.04 2.34 2.60 2dviA1 VAL 21 H 0.18 0.42 -0.21 -0.55 8.24 8.08 2dviA1 VAL 21 HA 0.54 0.06 0.39 -0.75 4.13 4.36 2dviA1 VAL 21 HB 0.13 0.05 0.07 -0.04 2.12 2.34 2dviA1 VAL 21 HG13 0.21 -0.00 -0.11 -0.04 0.97 1.03 2dviA1 VAL 21 HG23 0.13 0.09 -0.10 -0.04 0.95 1.02 2dviA1 ARG 22 H 0.11 0.42 -0.21 -0.55 8.46 8.22 2dviA1 ARG 22 HA 0.08 0.03 0.39 -0.75 4.34 4.08 2dviA1 ARG 22 HB2 0.06 0.14 0.19 -0.04 1.90 2.24 2dviA1 ARG 22 HB3 0.05 0.10 0.15 -0.04 1.80 2.05 2dviA1 ARG 22 HG2 0.03 -0.03 -0.10 -0.04 1.67 1.53 2dviA1 ARG 22 HG3 0.04 -0.02 0.05 -0.04 1.67 1.70 2dviA1 ARG 22 HD2 0.02 -0.00 -0.00 -0.04 3.22 3.20 2dviA1 ARG 22 HD3 0.03 0.01 0.02 -0.04 3.22 3.24 2dviA1 LYS 23 H 0.07 0.42 -0.26 -0.55 8.42 8.10 2dviA1 LYS 23 HA 0.01 0.03 0.41 -0.75 4.32 4.02 2dviA1 LYS 23 HB2 0.04 0.08 0.17 -0.04 1.87 2.12 2dviA1 LYS 23 HB3 0.05 0.09 0.16 -0.04 1.79 2.04 2dviA1 LYS 23 HG2 -0.02 -0.01 -0.14 -0.04 1.46 1.25 2dviA1 LYS 23 HG3 0.00 0.02 0.07 -0.04 1.46 1.51 2dviA1 LYS 23 HD2 0.03 -0.04 0.01 -0.04 1.69 1.65 2dviA1 LYS 23 HD3 0.03 -0.06 0.01 -0.04 1.68 1.63 2dviA1 LYS 23 HE2 -0.02 0.02 -0.18 -0.04 2.99 2.78 2dviA1 LYS 23 HE3 0.00 -0.02 0.02 -0.04 2.99 2.95 2dviA1 GLY 24 H 0.07 0.43 -0.35 -0.55 8.43 8.03 2dviA1 GLY 24 HA2 -0.21 0.02 0.43 -0.51 4.01 3.75 2dviA1 GLY 24 HA3 -0.09 0.04 0.30 -0.51 4.01 3.74 2dviA1 ARG 25 H 0.10 0.56 -0.07 -0.55 8.46 8.49 2dviA1 ARG 25 HA 0.13 0.01 0.50 -0.75 4.34 4.23 2dviA1 ARG 25 HB2 0.06 0.10 0.19 -0.04 1.90 2.21 2dviA1 ARG 25 HB3 0.05 -0.05 0.03 -0.04 1.80 1.80 2dviA1 ARG 25 HG2 0.18 0.18 0.05 -0.04 1.67 2.04 2dviA1 ARG 25 HG3 0.10 -0.05 -0.05 -0.04 1.67 1.62 2dviA1 ARG 25 HD2 0.06 -0.01 0.01 -0.04 3.22 3.23 2dviA1 ARG 25 HD3 0.12 -0.03 0.01 -0.04 3.22 3.28 2dviA1 GLU 26 H 0.02 0.77 -0.02 -0.55 8.60 8.82 2dviA1 GLU 26 HA 0.00 -0.01 0.41 -0.75 4.29 3.94 2dviA1 GLU 26 HB2 0.01 0.07 0.12 -0.04 2.09 2.24 2dviA1 GLU 26 HB3 -0.01 0.15 0.13 -0.04 1.99 2.22 2dviA1 GLU 26 HG2 -0.01 -0.02 -0.05 -0.04 2.34 2.22 2dviA1 GLU 26 HG3 0.00 -0.04 0.05 -0.04 2.34 2.31 2dviA1 ALA 27 H -0.05 0.40 -0.34 -0.55 8.40 7.85 2dviA1 ALA 27 HA -0.05 0.02 0.45 -0.75 4.34 4.01 2dviA1 ALA 27 HB3 -0.12 0.04 0.10 -0.04 1.41 1.39 2dviA1 GLU 28 H -0.08 0.41 -0.24 -0.55 8.60 8.15 2dviA1 GLU 28 HA -0.02 -0.02 0.40 -0.75 4.29 3.90 2dviA1 GLU 28 HB2 -0.03 0.13 0.18 -0.04 2.09 2.33 2dviA1 GLU 28 HB3 -0.02 0.14 0.23 -0.04 1.99 2.30 2dviA1 GLU 28 HG2 -0.38 -0.05 -0.15 -0.04 2.34 1.73 2dviA1 GLU 28 HG3 -0.40 -0.06 0.01 -0.04 2.34 1.84 2dviA1 GLU 29 H -0.02 0.65 -0.04 -0.55 8.60 8.64 2dviA1 GLU 29 HA -0.00 -0.01 0.38 -0.75 4.29 3.90 2dviA1 GLU 29 HB2 -0.00 0.02 0.11 -0.04 2.09 2.18 2dviA1 GLU 29 HB3 -0.00 0.11 0.10 -0.04 1.99 2.16 2dviA1 GLU 29 HG2 0.01 -0.00 -0.18 -0.04 2.34 2.12 2dviA1 GLU 29 HG3 0.01 -0.04 0.05 -0.04 2.34 2.31 2dviA1 GLU 30 H -0.01 0.36 -0.39 -0.55 8.60 8.02 2dviA1 GLU 30 HA -0.00 0.00 0.41 -0.75 4.29 3.94 2dviA1 GLU 30 HB2 -0.01 0.08 0.13 -0.04 2.09 2.25 2dviA1 GLU 30 HB3 -0.02 0.13 0.11 -0.04 1.99 2.17 2dviA1 GLU 30 HG2 -0.02 -0.06 -0.02 -0.04 2.34 2.20 2dviA1 GLU 30 HG3 -0.02 0.04 -0.15 -0.04 2.34 2.17 2dviA1 LEU 31 H 0.01 0.54 -0.17 -0.55 8.37 8.20 2dviA1 LEU 31 HA -0.05 0.07 0.41 -0.75 4.35 4.03 2dviA1 LEU 31 HB2 0.15 0.19 0.20 -0.04 1.64 2.13 2dviA1 LEU 31 HB3 0.03 -0.07 -0.11 -0.04 1.64 1.45 2dviA1 LEU 31 HG -0.02 -0.10 -0.08 -0.04 1.64 1.40 2dviA1 LEU 31 HD13 -0.09 -0.00 -0.06 -0.04 0.93 0.73 2dviA1 LEU 31 HD23 -0.03 -0.01 -0.06 -0.04 0.89 0.75 2dviA1 ARG 32 H 0.07 0.50 -0.14 -0.55 8.46 8.34 2dviA1 ARG 32 HA -0.08 -0.01 0.40 -0.75 4.34 3.90 2dviA1 ARG 32 HB2 0.07 0.15 0.17 -0.04 1.90 2.24 2dviA1 ARG 32 HB3 0.15 -0.03 -0.01 -0.04 1.80 1.87 2dviA1 ARG 32 HG2 0.48 -0.04 -0.00 -0.04 1.67 2.07 2dviA1 ARG 32 HG3 0.22 0.06 0.01 -0.04 1.67 1.92 2dviA1 ARG 32 HD2 -0.02 -0.01 -0.06 -0.04 3.22 3.09 2dviA1 ARG 32 HD3 0.10 0.00 -0.01 -0.04 3.22 3.27 2dviA1 ARG 33 H 0.02 0.60 -0.09 -0.55 8.46 8.44 2dviA1 ARG 33 HA 0.03 -0.01 0.41 -0.75 4.34 4.01 2dviA1 ARG 33 HB2 0.00 0.13 0.17 -0.04 1.90 2.17 2dviA1 ARG 33 HB3 0.01 -0.04 0.02 -0.04 1.80 1.75 2dviA1 ARG 33 HG2 0.02 -0.05 0.03 -0.04 1.67 1.63 2dviA1 ARG 33 HG3 0.02 0.09 0.07 -0.04 1.67 1.82 2dviA1 ARG 33 HD2 0.01 -0.00 -0.14 -0.04 3.22 3.04 2dviA1 ARG 33 HD3 0.01 -0.02 -0.02 -0.04 3.22 3.15 2dviA1 ARG 34 H -0.03 0.52 -0.20 -0.55 8.46 8.21 2dviA1 ARG 34 HA -0.01 0.04 0.51 -0.75 4.34 4.12 2dviA1 ARG 34 HB2 -0.06 0.06 0.16 -0.04 1.90 2.03 2dviA1 ARG 34 HB3 -0.04 0.01 0.05 -0.04 1.80 1.78 2dviA1 ARG 34 HG2 -0.02 -0.07 0.03 -0.04 1.67 1.57 2dviA1 ARG 34 HG3 -0.02 0.23 0.10 -0.04 1.67 1.93 2dviA1 ARG 34 HD2 -0.03 0.06 0.03 -0.04 3.22 3.24 2dviA1 ARG 34 HD3 -0.02 0.05 0.01 -0.04 3.22 3.21 2dviA1 LEU 35 H -0.10 0.60 -0.06 -0.55 8.37 8.25 2dviA1 LEU 35 HA -0.06 0.06 0.48 -0.75 4.35 4.07 2dviA1 LEU 35 HB2 -0.47 0.10 0.11 -0.04 1.64 1.34 2dviA1 LEU 35 HB3 -0.26 -0.08 -0.06 -0.04 1.64 1.20 2dviA1 LEU 35 HG -0.22 0.07 -0.02 -0.04 1.64 1.43 2dviA1 LEU 35 HD13 -0.68 -0.03 -0.19 -0.04 0.93 -0.01 2dviA1 LEU 35 HD23 -0.14 -0.02 -0.12 -0.04 0.89 0.57 2dviA1 ASP 36 H 0.03 0.66 -0.11 -0.55 8.40 8.44 2dviA1 ASP 36 HA 0.13 0.04 0.52 -0.75 4.63 4.56 2dviA1 ASP 36 HB2 0.06 0.08 0.11 -0.04 2.71 2.91 2dviA1 ASP 36 HB3 0.06 -0.05 0.03 -0.04 2.70 2.69 2dviA1 GLU 37 H 0.02 0.39 -0.27 -0.55 8.60 8.19 2dviA1 GLU 37 HA 0.01 0.00 0.41 -0.75 4.29 3.96 2dviA1 GLU 37 HB2 0.01 0.05 0.16 -0.04 2.09 2.27 2dviA1 GLU 37 HB3 0.00 0.21 0.12 -0.04 1.99 2.28 2dviA1 GLU 37 HG2 0.00 -0.03 0.02 -0.04 2.34 2.29 2dviA1 GLU 37 HG3 0.00 0.00 -0.11 -0.04 2.34 2.20 2dviA1 LEU 38 H 0.01 0.20 -0.52 -0.55 8.37 7.51 2dviA1 LEU 38 HA 0.00 0.08 0.58 -0.75 4.35 4.27 2dviA1 LEU 38 HB2 -0.00 0.05 0.05 -0.04 1.64 1.70 2dviA1 LEU 38 HB3 -0.00 -0.08 0.03 -0.04 1.64 1.55 2dviA1 LEU 38 HG -0.01 0.18 0.00 -0.04 1.64 1.77 2dviA1 LEU 38 HD13 -0.03 -0.03 -0.08 -0.04 0.93 0.75 2dviA1 LEU 38 HD23 -0.01 -0.01 -0.04 -0.04 0.89 0.79 2dviA1 GLY 39 H 0.03 0.22 -0.46 -0.55 8.43 7.67 2dviA1 GLY 39 HA2 0.03 0.02 0.34 -0.51 4.01 3.90 2dviA1 GLY 39 HA3 0.01 -0.01 0.37 -0.51 4.01 3.87 2dviA1 VAL 40 H 0.06 0.36 -0.04 -0.55 8.24 8.07 2dviA1 VAL 40 HA -0.04 0.13 0.67 -0.75 4.13 4.13 2dviA1 VAL 40 HB 0.05 0.03 -0.02 -0.04 2.12 2.14 2dviA1 VAL 40 HG13 -0.03 -0.05 -0.23 -0.04 0.97 0.62 2dviA1 VAL 40 HG23 -0.03 0.01 -0.14 -0.04 0.95 0.75 2dviA1 GLU 41 H -0.13 0.17 0.16 -0.55 8.60 8.25 2dviA1 GLU 41 HA -0.16 0.15 0.82 -0.75 4.29 4.34 2dviA1 GLU 41 HB2 -0.14 0.02 0.14 -0.04 2.09 2.06 2dviA1 GLU 41 HB3 -0.19 0.04 0.23 -0.04 1.99 2.03 2dviA1 GLU 41 HG2 -0.15 0.01 0.01 -0.04 2.34 2.16 2dviA1 GLU 41 HG3 -0.13 0.03 0.05 -0.04 2.34 2.24 2dviA1 TYR 42 H -0.51 0.29 0.19 -0.55 8.29 7.71 2dviA1 TYR 42 HA -0.08 0.26 1.00 -0.75 4.56 4.99 2dviA1 TYR 42 HB2 -0.15 -0.05 -0.04 -0.04 3.06 2.78 2dviA1 TYR 42 HB3 -0.11 0.00 -0.31 -0.04 2.98 2.52 2dviA1 TYR 42 HD2 -0.08 -0.02 -0.39 -0.04 7.15 6.62 2dviA1 TYR 42 HE2 0.19 0.01 -0.13 -0.04 6.85 6.88 2dviA1 VAL 43 H 0.09 0.49 0.33 -0.55 8.24 8.60 2dviA1 VAL 43 HA 0.07 0.13 0.72 -0.75 4.13 4.30 2dviA1 VAL 43 HB -0.05 0.07 -0.16 -0.04 2.12 1.94 2dviA1 VAL 43 HG13 -0.03 -0.01 -0.10 -0.04 0.97 0.78 2dviA1 VAL 43 HG23 -0.06 0.04 -0.02 -0.04 0.95 0.87 2dviA1 PHE 44 H 0.32 0.18 0.18 -0.55 8.34 8.46 2dviA1 PHE 44 HA 0.05 0.22 0.97 -0.75 4.62 5.10 2dviA1 PHE 44 HB2 0.03 0.00 0.17 -0.04 3.15 3.32 2dviA1 PHE 44 HB3 0.07 -0.01 0.06 -0.04 3.06 3.14 2dviA1 PHE 44 HD2 0.18 -0.03 -0.01 -0.04 7.28 7.37 2dviA1 PHE 44 HE2 0.08 0.01 -0.08 -0.04 7.38 7.35 2dviA1 PHE 44 HZ -0.07 0.05 -0.05 -0.04 7.32 7.21 2dviA1 VAL 45 H 0.01 0.51 0.32 -0.55 8.24 8.54 2dviA1 VAL 45 HA -0.47 0.22 0.78 -0.75 4.13 3.91 2dviA1 VAL 45 HB -0.23 -0.10 0.09 -0.04 2.12 1.84 2dviA1 VAL 45 HG13 -0.40 0.05 -0.40 -0.04 0.97 0.18 2dviA1 VAL 45 HG23 -0.48 0.00 -0.21 -0.04 0.95 0.23 2dviA1 GLY 46 H 0.05 0.14 0.10 -0.55 8.43 8.18 2dviA1 GLY 46 HA2 0.11 0.05 0.34 -0.51 4.01 4.00 2dviA1 GLY 46 HA3 0.12 0.13 0.57 -0.51 4.01 4.31 2dviA1 SER 47 H 0.20 0.19 0.15 -0.55 8.46 8.45 2dviA1 SER 47 HA 0.23 0.11 0.28 -0.75 4.49 4.35 2dviA1 SER 47 HB2 0.36 -0.01 -0.29 -0.04 3.95 3.97 2dviA1 SER 47 HB3 0.26 0.06 -0.04 -0.04 3.93 4.17 2dviA1 TYR 48 H 0.28 0.16 -0.15 -0.55 8.29 8.03 2dviA1 TYR 48 HA 0.23 0.06 0.43 -0.75 4.56 4.53 2dviA1 TYR 48 HB2 -0.13 0.00 -0.01 -0.04 3.06 2.89 2dviA1 TYR 48 HB3 0.06 0.01 0.12 -0.04 2.98 3.12 2dviA1 TYR 48 HD2 -0.44 -0.03 -0.08 -0.04 7.15 6.56 2dviA1 TYR 48 HE2 -0.28 -0.00 -0.07 -0.04 6.85 6.47 2dviA1 ALA 49 H 0.19 0.20 -0.34 -0.55 8.40 7.91 2dviA1 ALA 49 HA -0.06 0.09 0.36 -0.75 4.34 3.98 2dviA1 ALA 49 HB3 0.12 0.00 -0.22 -0.04 1.41 1.27 2dviA1 ARG 50 H 0.18 0.22 -0.36 -0.55 8.46 7.94 2dviA1 ARG 50 HA 0.09 0.22 0.68 -0.75 4.34 4.58 2dviA1 ARG 50 HB2 0.15 -0.09 -0.12 -0.04 1.90 1.80 2dviA1 ARG 50 HB3 0.09 0.02 -0.01 -0.04 1.80 1.85 2dviA1 ARG 50 HG2 0.04 0.06 -0.13 -0.04 1.67 1.60 2dviA1 ARG 50 HG3 0.28 0.00 -0.17 -0.04 1.67 1.74 2dviA1 ARG 50 HD2 0.18 -0.05 -0.20 -0.04 3.22 3.11 2dviA1 ARG 50 HD3 0.14 0.02 -0.13 -0.04 3.22 3.21 2dviA1 ASN 51 H 0.11 0.27 -0.50 -0.55 8.53 7.87 2dviA1 ASN 51 HA 0.27 0.00 0.34 -0.75 4.76 4.62 2dviA1 ASN 51 HB2 0.01 0.12 -0.28 -0.04 2.88 2.69 2dviA1 ASN 51 HB3 -0.04 -0.05 0.23 -0.04 2.79 2.88 2dviA1 ASN 51 HD21 -0.05 -0.03 -0.04 -0.04 7.03 6.88 2dviA1 ASN 51 HD22 -0.02 0.04 -0.26 -0.04 7.74 7.46 2dviA1 THR 52 H 0.25 0.42 0.02 -0.55 8.28 8.42 2dviA1 THR 52 HA -0.01 0.29 0.88 -0.75 4.39 4.80 2dviA1 THR 52 HB 0.10 -0.03 0.07 -0.04 4.32 4.41 2dviA1 THR 52 HG23 0.08 0.05 -0.27 -0.04 1.22 1.04 2dviA1 TRP 53 H 0.44 0.11 -0.08 -0.55 7.97 7.89 2dviA1 TRP 53 HA 0.11 0.00 0.43 -0.75 4.62 4.41 2dviA1 TRP 53 HB2 0.13 0.08 -0.04 -0.04 3.23 3.36 2dviA1 TRP 53 HB3 0.15 -0.12 -0.18 -0.04 3.23 3.04 2dviA1 TRP 53 HD1 0.09 0.22 -0.58 -0.04 7.22 6.90 2dviA1 TRP 53 HE1 0.08 -0.11 -0.16 -0.04 10.20 9.97 2dviA1 TRP 53 HE3 0.08 0.00 -0.00 -0.04 7.59 7.62 2dviA1 TRP 53 HZ2 0.10 -0.04 -0.21 -0.04 7.44 7.24 2dviA1 TRP 53 HZ3 -0.07 0.09 0.03 -0.04 7.13 7.15 2dviA1 TRP 53 HH2 0.12 0.00 -0.01 -0.04 7.19 7.26 2dviA1 LEU 54 H 0.26 0.06 0.10 -0.55 8.37 8.24 2dviA1 LEU 54 HA -0.09 0.23 0.57 -0.75 4.35 4.32 2dviA1 LEU 54 HB2 -0.03 -0.05 0.07 -0.04 1.64 1.59 2dviA1 LEU 54 HB3 0.08 -0.07 0.05 -0.04 1.64 1.66 2dviA1 LEU 54 HG 0.01 0.20 -0.11 -0.04 1.64 1.69 2dviA1 LEU 54 HD13 -0.06 0.02 0.11 -0.04 0.93 0.96 2dviA1 LEU 54 HD23 -0.12 -0.02 -0.15 -0.04 0.89 0.56 2dviA1 LYS 55 H -0.09 0.67 0.19 -0.55 8.42 8.63 2dviA1 LYS 55 HA 0.08 -0.17 0.28 -0.75 4.32 3.76 2dviA1 LYS 55 HB2 -0.06 -0.00 -0.74 -0.04 1.87 1.02 2dviA1 LYS 55 HB3 -0.01 0.21 -0.12 -0.04 1.79 1.84 2dviA1 LYS 55 HG2 0.05 0.01 -0.39 -0.04 1.46 1.10 2dviA1 LYS 55 HG3 0.05 -0.24 -0.11 -0.04 1.46 1.12 2dviA1 LYS 55 HD2 -0.02 0.22 -0.29 -0.04 1.69 1.56 2dviA1 LYS 55 HD3 0.00 0.17 -0.19 -0.04 1.68 1.62 2dviA1 LYS 55 HE2 0.03 -0.03 -0.05 -0.04 2.99 2.91 2dviA1 LYS 55 HE3 0.03 -0.22 -0.00 -0.04 2.99 2.76 2dviA1 GLY 56 H 0.27 0.00 0.18 -0.55 8.43 8.33 2dviA1 GLY 56 HA2 0.14 -0.05 0.37 -0.51 4.01 3.97 2dviA1 GLY 56 HA3 0.11 0.21 0.62 -0.51 4.01 4.44 2dviA1 SER 57 H 0.34 0.48 -0.09 -0.55 8.46 8.64 2dviA1 SER 57 HA 0.15 0.21 0.80 -0.75 4.49 4.89 2dviA1 SER 57 HB2 0.25 0.09 0.04 -0.04 3.95 4.29 2dviA1 SER 57 HB3 0.21 -0.13 0.17 -0.04 3.93 4.13 2dviA1 LEU 58 H 0.14 0.09 -0.10 -0.55 8.37 7.94 2dviA1 LEU 58 HA -0.49 -0.02 0.42 -0.75 4.35 3.50 2dviA1 LEU 58 HB2 -0.36 -0.02 0.04 -0.04 1.64 1.27 2dviA1 LEU 58 HB3 -0.12 0.03 0.13 -0.04 1.64 1.64 2dviA1 LEU 58 HG -0.39 0.01 -0.31 -0.04 1.64 0.91 2dviA1 LEU 58 HD13 -1.40 -0.02 -0.06 -0.04 0.93 -0.59 2dviA1 LEU 58 HD23 -0.30 0.02 -0.02 -0.04 0.89 0.55 2dviA1 GLU 59 H -0.13 0.12 0.12 -0.55 8.60 8.17 2dviA1 GLU 59 HA -0.05 0.26 0.70 -0.75 4.29 4.45 2dviA1 GLU 59 HB2 0.07 0.09 -0.26 -0.04 2.09 1.95 2dviA1 GLU 59 HB3 0.08 -0.11 0.09 -0.04 1.99 2.01 2dviA1 GLU 59 HG2 0.09 0.04 -0.29 -0.04 2.34 2.14 2dviA1 GLU 59 HG3 0.14 0.01 -0.12 -0.04 2.34 2.32 2dviA1 ILE 60 H -0.14 0.58 0.19 -0.55 8.25 8.33 2dviA1 ILE 60 HA 0.00 -0.05 0.62 -0.75 4.18 4.01 2dviA1 ILE 60 HB -0.14 0.07 0.12 -0.04 1.89 1.91 2dviA1 ILE 60 HG12 -1.12 -0.06 -0.02 -0.04 1.49 0.25 2dviA1 ILE 60 HG13 -0.50 -0.01 -0.01 -0.04 1.21 0.65 2dviA1 ILE 60 HG23 0.13 -0.01 -0.20 -0.04 0.93 0.82 2dviA1 ILE 60 HD13 -0.53 0.04 -0.06 -0.04 0.88 0.29 2dviA1 ASP 61 H 0.15 0.18 0.26 -0.55 8.40 8.44 2dviA1 ASP 61 HA 0.08 0.27 1.05 -0.75 4.63 5.27 2dviA1 ASP 61 HB2 0.10 0.04 0.06 -0.04 2.71 2.87 2dviA1 ASP 61 HB3 0.21 0.03 -0.05 -0.04 2.70 2.85 2dviA1 VAL 62 H -0.01 0.74 0.33 -0.55 8.24 8.75 2dviA1 VAL 62 HA -0.31 0.17 0.97 -0.75 4.13 4.20 2dviA1 VAL 62 HB -0.19 -0.01 0.08 -0.04 2.12 1.96 2dviA1 VAL 62 HG13 -0.44 0.01 -0.20 -0.04 0.97 0.30 2dviA1 VAL 62 HG23 -0.51 -0.00 -0.22 -0.04 0.95 0.18 2dviA1 PHE 63 H 0.10 0.67 0.31 -0.55 8.34 8.87 2dviA1 PHE 63 HA -0.04 0.39 1.12 -0.75 4.62 5.33 2dviA1 PHE 63 HB2 -0.07 0.06 0.08 -0.04 3.15 3.17 2dviA1 PHE 63 HB3 -0.05 0.01 -0.15 -0.04 3.06 2.83 2dviA1 PHE 63 HD2 -0.05 -0.05 -0.40 -0.04 7.28 6.73 2dviA1 PHE 63 HE2 -0.07 0.04 -0.10 -0.04 7.38 7.20 2dviA1 PHE 63 HZ -0.09 -0.07 -0.06 -0.04 7.32 7.06 2dviA1 LEU 64 H -0.07 0.73 0.33 -0.55 8.37 8.82 2dviA1 LEU 64 HA -0.03 0.25 0.87 -0.75 4.35 4.69 2dviA1 LEU 64 HB2 0.16 -0.15 0.14 -0.04 1.64 1.76 2dviA1 LEU 64 HB3 -0.11 0.06 -0.01 -0.04 1.64 1.54 2dviA1 LEU 64 HG -0.04 -0.00 -0.23 -0.04 1.64 1.32 2dviA1 LEU 64 HD13 0.04 -0.01 -0.13 -0.04 0.93 0.78 2dviA1 LEU 64 HD23 -0.04 0.01 -0.22 -0.04 0.89 0.60 2dviA1 LEU 65 H -0.11 0.52 0.18 -0.55 8.37 8.41 2dviA1 LEU 65 HA 0.01 0.18 0.76 -0.75 4.35 4.54 2dviA1 LEU 65 HB2 -0.11 0.03 0.02 -0.04 1.64 1.53 2dviA1 LEU 65 HB3 -0.08 -0.02 -0.06 -0.04 1.64 1.43 2dviA1 LEU 65 HG -0.03 -0.04 -0.10 -0.04 1.64 1.43 2dviA1 LEU 65 HD13 0.06 0.03 -0.37 -0.04 0.93 0.60 2dviA1 LEU 65 HD23 -0.07 0.00 -0.18 -0.04 0.89 0.59 2dviA1 PHE 66 H 0.10 0.48 0.44 -0.55 8.34 8.81 2dviA1 PHE 66 HA -0.31 0.24 0.98 -0.75 4.62 4.78 2dviA1 PHE 66 HB2 -0.36 -0.04 -0.05 -0.04 3.15 2.65 2dviA1 PHE 66 HB3 -0.48 0.05 -0.03 -0.04 3.06 2.56 2dviA1 PHE 66 HD2 -0.27 0.07 -0.03 -0.04 7.28 7.01 2dviA1 PHE 66 HE2 -0.01 -0.02 -0.06 -0.04 7.38 7.25 2dviA1 PHE 66 HZ -0.04 -0.01 -0.20 -0.04 7.32 7.02 2dviA1 PRO 67 HA 0.00 0.13 0.49 -0.51 4.44 4.55 2dviA1 PRO 67 HB2 -0.02 -0.11 0.09 -0.04 2.28 2.20 2dviA1 PRO 67 HB3 0.01 0.07 0.13 -0.04 2.02 2.19 2dviA1 PRO 67 HG2 -0.25 0.06 0.11 -0.04 2.03 1.91 2dviA1 PRO 67 HG3 -0.16 0.10 0.10 -0.04 2.03 2.03 2dviA1 PRO 67 HD2 -1.61 0.05 0.22 -0.04 3.68 2.29 2dviA1 PRO 67 HD3 -0.50 0.24 0.29 -0.04 3.65 3.63 2dviA1 GLU 68 H 0.10 0.22 0.20 -0.55 8.60 8.58 2dviA1 GLU 68 HA 0.27 0.09 0.34 -0.75 4.29 4.23 2dviA1 GLU 68 HB2 -0.07 0.03 0.05 -0.04 2.09 2.06 2dviA1 GLU 68 HB3 0.02 0.00 0.06 -0.04 1.99 2.04 2dviA1 GLU 68 HG2 0.06 0.03 0.16 -0.04 2.34 2.55 2dviA1 GLU 68 HG3 0.04 -0.02 0.01 -0.04 2.34 2.33 2dviA1 GLU 69 H 0.17 -0.00 -0.37 -0.55 8.60 7.85 2dviA1 GLU 69 HA 0.08 0.09 0.40 -0.75 4.29 4.11 2dviA1 GLU 69 HB2 0.26 -0.02 -0.00 -0.04 2.09 2.28 2dviA1 GLU 69 HB3 0.13 0.01 0.02 -0.04 1.99 2.10 2dviA1 GLU 69 HG2 0.09 0.03 0.01 -0.04 2.34 2.42 2dviA1 GLU 69 HG3 0.07 0.03 -0.00 -0.04 2.34 2.40 2dviA1 PHE 70 H 0.59 0.27 -0.30 -0.55 8.34 8.35 2dviA1 PHE 70 HA 0.09 -0.06 0.35 -0.75 4.62 4.25 2dviA1 PHE 70 HB2 0.27 0.22 0.01 -0.04 3.15 3.61 2dviA1 PHE 70 HB3 0.06 -0.03 -0.07 -0.04 3.06 2.98 2dviA1 PHE 70 HD2 0.10 -0.09 -0.05 -0.04 7.28 7.19 2dviA1 PHE 70 HE2 0.17 0.01 0.00 -0.04 7.38 7.52 2dviA1 PHE 70 HZ 0.09 0.04 0.02 -0.04 7.32 7.44 2dviA1 SER 71 H 0.03 0.04 0.19 -0.55 8.46 8.17 2dviA1 SER 71 HA 0.08 0.21 0.54 -0.75 4.49 4.57 2dviA1 SER 71 HB2 -0.02 0.15 0.18 -0.04 3.95 4.23 2dviA1 SER 71 HB3 -0.02 -0.24 0.14 -0.04 3.93 3.77 2dviA1 LYS 72 H 0.08 0.23 0.20 -0.55 8.42 8.38 2dviA1 LYS 72 HA 0.14 0.13 0.44 -0.75 4.32 4.27 2dviA1 LYS 72 HB2 0.04 -0.00 0.10 -0.04 1.87 1.97 2dviA1 LYS 72 HB3 0.05 0.02 0.09 -0.04 1.79 1.91 2dviA1 LYS 72 HG2 0.18 0.06 0.04 -0.04 1.46 1.70 2dviA1 LYS 72 HG3 0.06 0.01 0.13 -0.04 1.46 1.62 2dviA1 LYS 72 HD2 0.05 0.08 0.07 -0.04 1.69 1.85 2dviA1 LYS 72 HD3 0.06 -0.02 0.06 -0.04 1.68 1.73 2dviA1 LYS 72 HE2 0.20 0.06 0.04 -0.04 2.99 3.25 2dviA1 LYS 72 HE3 0.10 0.03 0.12 -0.04 2.99 3.20 2dviA1 GLU 73 H 0.00 0.08 -0.12 -0.55 8.60 8.03 2dviA1 GLU 73 HA -0.04 0.14 0.43 -0.75 4.29 4.07 2dviA1 GLU 73 HB2 -0.02 -0.04 0.06 -0.04 2.09 2.05 2dviA1 GLU 73 HB3 -0.03 0.07 -0.00 -0.04 1.99 1.99 2dviA1 GLU 73 HG2 -0.01 0.08 0.03 -0.04 2.34 2.40 2dviA1 GLU 73 HG3 -0.01 0.04 0.03 -0.04 2.34 2.37 2dviA1 GLU 74 H -0.03 0.04 -0.34 -0.55 8.60 7.72 2dviA1 GLU 74 HA -0.06 0.08 0.42 -0.75 4.29 3.97 2dviA1 GLU 74 HB2 -0.09 -0.05 0.12 -0.04 2.09 2.02 2dviA1 GLU 74 HB3 -0.01 0.18 0.09 -0.04 1.99 2.21 2dviA1 GLU 74 HG2 -0.37 0.01 0.01 -0.04 2.34 1.95 2dviA1 GLU 74 HG3 0.07 0.01 -0.14 -0.04 2.34 2.25 2dviA1 LEU 75 H -0.14 0.45 -0.24 -0.55 8.37 7.89 2dviA1 LEU 75 HA -0.88 0.03 0.31 -0.75 4.35 3.05 2dviA1 LEU 75 HB2 -0.30 0.08 0.10 -0.04 1.64 1.47 2dviA1 LEU 75 HB3 -0.40 0.04 -0.10 -0.04 1.64 1.13 2dviA1 LEU 75 HG -1.14 -0.03 -0.06 -0.04 1.64 0.37 2dviA1 LEU 75 HD13 -0.72 0.02 -0.17 -0.04 0.93 0.01 2dviA1 LEU 75 HD23 -0.82 -0.01 -0.24 -0.04 0.89 -0.22 2dviA1 ARG 76 H -0.17 0.41 -0.30 -0.55 8.46 7.85 2dviA1 ARG 76 HA -0.22 0.02 0.42 -0.75 4.34 3.81 2dviA1 ARG 76 HB2 -0.15 0.01 0.13 -0.04 1.90 1.86 2dviA1 ARG 76 HB3 -0.09 0.10 0.19 -0.04 1.80 1.97 2dviA1 ARG 76 HG2 -0.04 0.02 -0.21 -0.04 1.67 1.40 2dviA1 ARG 76 HG3 -0.10 -0.06 0.02 -0.04 1.67 1.49 2dviA1 ARG 76 HD2 0.08 -0.00 -0.02 -0.04 3.22 3.24 2dviA1 ARG 76 HD3 -0.02 0.01 0.02 -0.04 3.22 3.19 2dviA1 GLU 77 H -0.09 0.54 -0.06 -0.55 8.60 8.44 2dviA1 GLU 77 HA -0.05 0.05 0.43 -0.75 4.29 3.96 2dviA1 GLU 77 HB2 -0.04 -0.00 0.16 -0.04 2.09 2.17 2dviA1 GLU 77 HB3 -0.03 -0.01 0.00 -0.04 1.99 1.92 2dviA1 GLU 77 HG2 -0.03 -0.02 0.01 -0.04 2.34 2.27 2dviA1 GLU 77 HG3 -0.04 0.17 0.10 -0.04 2.34 2.52 2dviA1 ARG 78 H -0.05 0.72 0.05 -0.55 8.46 8.62 2dviA1 ARG 78 HA 0.05 0.06 0.47 -0.75 4.34 4.16 2dviA1 ARG 78 HB2 0.08 0.11 0.10 -0.04 1.90 2.14 2dviA1 ARG 78 HB3 0.36 -0.00 -0.06 -0.04 1.80 2.07 2dviA1 ARG 78 HG2 0.09 -0.04 0.04 -0.04 1.67 1.72 2dviA1 ARG 78 HG3 0.30 -0.01 -0.00 -0.04 1.67 1.92 2dviA1 ARG 78 HD2 0.07 -0.01 0.01 -0.04 3.22 3.24 2dviA1 ARG 78 HD3 0.08 0.00 -0.01 -0.04 3.22 3.26 2dviA1 GLY 79 H -0.11 0.54 -0.19 -0.55 8.43 8.13 2dviA1 GLY 79 HA2 0.11 -0.02 0.33 -0.51 4.01 3.92 2dviA1 GLY 79 HA3 -0.08 0.15 0.30 -0.51 4.01 3.88 2dviA1 LEU 80 H -0.08 0.60 -0.15 -0.55 8.37 8.19 2dviA1 LEU 80 HA -0.10 -0.03 0.37 -0.75 4.35 3.83 2dviA1 LEU 80 HB2 -0.07 0.12 0.08 -0.04 1.64 1.73 2dviA1 LEU 80 HB3 -0.10 -0.06 0.02 -0.04 1.64 1.47 2dviA1 LEU 80 HG -0.10 0.30 0.13 -0.04 1.64 1.93 2dviA1 LEU 80 HD13 0.02 -0.03 -0.02 -0.04 0.93 0.86 2dviA1 LEU 80 HD23 -0.09 -0.05 -0.13 -0.04 0.89 0.57 2dviA1 GLU 81 H -0.04 0.35 -0.49 -0.55 8.60 7.87 2dviA1 GLU 81 HA -0.06 -0.00 0.38 -0.75 4.29 3.85 2dviA1 GLU 81 HB2 -0.01 0.29 0.26 -0.04 2.09 2.59 2dviA1 GLU 81 HB3 0.00 0.04 0.10 -0.04 1.99 2.09 2dviA1 GLU 81 HG2 -0.01 -0.01 -0.01 -0.04 2.34 2.26 2dviA1 GLU 81 HG3 -0.02 -0.04 0.03 -0.04 2.34 2.27 2dviA1 ILE 82 H -0.01 0.60 -0.06 -0.55 8.25 8.24 2dviA1 ILE 82 HA -0.03 0.05 0.38 -0.75 4.18 3.83 2dviA1 ILE 82 HB 0.01 0.07 0.08 -0.04 1.89 2.00 2dviA1 ILE 82 HG12 0.00 0.00 -0.02 -0.04 1.49 1.43 2dviA1 ILE 82 HG13 0.04 0.12 0.06 -0.04 1.21 1.38 2dviA1 ILE 82 HG23 -0.04 -0.02 -0.20 -0.04 0.93 0.63 2dviA1 ILE 82 HD13 0.03 -0.03 -0.09 -0.04 0.88 0.75 2dviA1 GLY 83 H -0.07 0.62 -0.12 -0.55 8.43 8.31 2dviA1 GLY 83 HA2 -0.08 -0.01 0.33 -0.51 4.01 3.74 2dviA1 GLY 83 HA3 -0.10 -0.00 0.28 -0.51 4.01 3.68 2dviA1 LYS 84 H -0.21 0.58 -0.20 -0.55 8.42 8.04 2dviA1 LYS 84 HA -0.43 -0.03 0.34 -0.75 4.32 3.45 2dviA1 LYS 84 HB2 -0.25 0.16 0.11 -0.04 1.87 1.85 2dviA1 LYS 84 HB3 -0.39 -0.04 -0.01 -0.04 1.79 1.31 2dviA1 LYS 84 HG2 -1.75 -0.10 -0.03 -0.04 1.46 -0.46 2dviA1 LYS 84 HG3 -0.48 0.15 0.08 -0.04 1.46 1.17 2dviA1 LYS 84 HD2 -0.35 -0.03 -0.03 -0.04 1.69 1.24 2dviA1 LYS 84 HD3 -0.33 -0.08 -0.04 -0.04 1.68 1.19 2dviA1 LYS 84 HE2 -0.16 0.09 -0.20 -0.04 2.99 2.68 2dviA1 LYS 84 HE3 -0.14 0.04 -0.03 -0.04 2.99 2.82 2dviA1 ALA 85 H -0.08 0.36 -0.31 -0.55 8.40 7.82 2dviA1 ALA 85 HA -0.01 0.06 0.47 -0.75 4.34 4.10 2dviA1 ALA 85 HB3 -0.03 0.00 0.08 -0.04 1.41 1.42 2dviA1 VAL 86 H -0.05 0.27 -0.53 -0.55 8.24 7.38 2dviA1 VAL 86 HA -0.03 0.16 0.80 -0.75 4.13 4.31 2dviA1 VAL 86 HB -0.07 0.20 0.03 -0.04 2.12 2.24 2dviA1 VAL 86 HG13 -0.08 -0.05 -0.12 -0.04 0.97 0.67 2dviA1 VAL 86 HG23 -0.06 -0.04 -0.22 -0.04 0.95 0.59 2dviA1 LEU 87 H 0.00 0.27 -0.14 -0.55 8.37 7.96 2dviA1 LEU 87 HA -0.01 0.13 0.87 -0.75 4.35 4.58 2dviA1 LEU 87 HB2 0.10 0.03 -0.12 -0.04 1.64 1.61 2dviA1 LEU 87 HB3 0.02 -0.12 0.06 -0.04 1.64 1.56 2dviA1 LEU 87 HG -0.04 0.26 -0.13 -0.04 1.64 1.70 2dviA1 LEU 87 HD13 -0.01 -0.05 -0.31 -0.04 0.93 0.52 2dviA1 LEU 87 HD23 -0.06 -0.01 -0.27 -0.04 0.89 0.51 2dviA1 ASP 88 H -0.01 0.56 0.39 -0.55 8.40 8.79 2dviA1 ASP 88 HA 0.01 0.09 0.51 -0.75 4.63 4.48 2dviA1 ASP 88 HB2 -0.02 -0.01 0.19 -0.04 2.71 2.84 2dviA1 ASP 88 HB3 -0.01 -0.02 0.04 -0.04 2.70 2.67 2dviA1 SER 89 H 0.01 0.17 0.17 -0.55 8.46 8.26 2dviA1 SER 89 HA -0.08 0.18 0.61 -0.75 4.49 4.45 2dviA1 SER 89 HB2 -0.09 0.04 0.07 -0.04 3.95 3.92 2dviA1 SER 89 HB3 -0.05 0.08 -0.07 -0.04 3.93 3.85 2dviA1 TYR 90 H -0.45 0.24 0.19 -0.55 8.29 7.71 2dviA1 TYR 90 HA -0.02 0.26 1.08 -0.75 4.56 5.13 2dviA1 TYR 90 HB2 -0.01 0.00 0.05 -0.04 3.06 3.06 2dviA1 TYR 90 HB3 -0.03 0.01 -0.27 -0.04 2.98 2.66 2dviA1 TYR 90 HD2 -0.02 0.03 -0.31 -0.04 7.15 6.81 2dviA1 TYR 90 HE2 -0.01 0.03 -0.04 -0.04 6.85 6.78 2dviA1 GLU 91 H 0.22 0.67 0.44 -0.55 8.60 9.39 2dviA1 GLU 91 HA 0.08 0.13 0.78 -0.75 4.29 4.52 2dviA1 GLU 91 HB2 0.06 0.06 -0.11 -0.04 2.09 2.06 2dviA1 GLU 91 HB3 0.15 -0.02 0.06 -0.04 1.99 2.14 2dviA1 GLU 91 HG2 0.03 -0.04 -0.25 -0.04 2.34 2.04 2dviA1 GLU 91 HG3 0.02 0.04 0.01 -0.04 2.34 2.37 2dviA1 ILE 92 H 0.06 0.26 0.14 -0.55 8.25 8.16 2dviA1 ILE 92 HA -0.03 0.16 1.03 -0.75 4.18 4.59 2dviA1 ILE 92 HB 0.04 0.01 0.18 -0.04 1.89 2.08 2dviA1 ILE 92 HG12 -0.02 0.07 0.04 -0.04 1.49 1.54 2dviA1 ILE 92 HG13 0.14 -0.08 -0.40 -0.04 1.21 0.83 2dviA1 ILE 92 HG23 0.04 0.02 -0.04 -0.04 0.93 0.91 2dviA1 ILE 92 HD13 -0.06 0.01 -0.03 -0.04 0.88 0.76 2dviA1 ARG 93 H -0.13 0.23 -0.00 -0.55 8.46 8.01 2dviA1 ARG 93 HA -0.21 0.13 0.67 -0.75 4.34 4.18 2dviA1 ARG 93 HB2 -0.05 0.03 -0.38 -0.04 1.90 1.47 2dviA1 ARG 93 HB3 -0.03 -0.04 0.09 -0.04 1.80 1.77 2dviA1 ARG 93 HG2 -0.04 -0.12 -0.09 -0.04 1.67 1.38 2dviA1 ARG 93 HG3 -0.08 0.08 0.05 -0.04 1.67 1.68 2dviA1 ARG 93 HD2 -0.03 0.06 -0.05 -0.04 3.22 3.16 2dviA1 ARG 93 HD3 -0.01 -0.04 -0.05 -0.04 3.22 3.08 2dviA1 TYR 94 H -0.64 0.29 0.13 -0.55 8.29 7.51 2dviA1 TYR 94 HA 0.07 0.13 0.84 -0.75 4.56 4.84 2dviA1 TYR 94 HB2 0.16 -0.06 0.04 -0.04 3.06 3.16 2dviA1 TYR 94 HB3 -0.14 0.06 -0.08 -0.04 2.98 2.78 2dviA1 TYR 94 HD2 -0.13 -0.05 -0.42 -0.04 7.15 6.51 2dviA1 TYR 94 HE2 -0.07 0.07 -0.10 -0.04 6.85 6.71 2dviA1 ALA 95 H 0.29 0.07 0.13 -0.55 8.40 8.34 2dviA1 ALA 95 HA 0.08 0.22 0.83 -0.75 4.34 4.71 2dviA1 ALA 95 HB3 0.13 -0.02 0.03 -0.04 1.41 1.51 2dviA1 GLU 96 H 0.27 -0.03 0.03 -0.55 8.60 8.33 2dviA1 GLU 96 HA 0.18 0.25 0.76 -0.75 4.29 4.72 2dviA1 GLU 96 HB2 0.12 0.07 -0.14 -0.04 2.09 2.10 2dviA1 GLU 96 HB3 0.14 -0.16 0.15 -0.04 1.99 2.08 2dviA1 GLU 96 HG2 0.09 0.06 0.02 -0.04 2.34 2.47 2dviA1 GLU 96 HG3 0.09 0.03 0.01 -0.04 2.34 2.42 2dviA1 HIS 97 H 0.19 0.03 0.15 -0.55 8.41 8.24 2dviA1 HIS 97 HA -0.08 0.15 0.56 -0.75 4.63 4.50 2dviA1 HIS 97 HB2 -0.00 -0.11 0.16 -0.04 3.26 3.27 2dviA1 HIS 97 HB3 -0.01 -0.03 0.12 -0.04 3.20 3.24 2dviA1 HIS 97 HD2 -0.12 -0.03 -0.15 -0.04 6.97 6.63 2dviA1 HIS 97 HE1 -0.10 -0.08 0.03 -0.04 7.75 7.55 2dviA1 PRO 98 HA -1.73 0.03 0.54 -0.51 4.44 2.77 2dviA1 PRO 98 HB2 -0.47 0.07 0.03 -0.04 2.28 1.86 2dviA1 PRO 98 HB3 -0.78 0.05 0.08 -0.04 2.02 1.33 2dviA1 PRO 98 HG2 -0.56 0.05 0.05 -0.04 2.03 1.53 2dviA1 PRO 98 HG3 -0.38 0.01 0.08 -0.04 2.03 1.70 2dviA1 PRO 98 HD2 -1.10 -0.00 0.25 -0.04 3.68 2.78 2dviA1 PRO 98 HD3 -0.41 0.25 0.30 -0.04 3.65 3.74 2dviA1 TYR 99 H -0.41 0.27 0.24 -0.55 8.29 7.84 2dviA1 TYR 99 HA -0.16 0.14 0.50 -0.75 4.56 4.29 2dviA1 TYR 99 HB2 -0.07 0.14 0.05 -0.04 3.06 3.13 2dviA1 TYR 99 HB3 -0.09 0.12 -0.11 -0.04 2.98 2.86 2dviA1 TYR 99 HD2 0.00 0.13 -0.31 -0.04 7.15 6.93 2dviA1 TYR 99 HE2 0.13 -0.06 -0.06 -0.04 6.85 6.82 2dviA1 VAL 100 H 0.09 0.63 0.31 -0.55 8.24 8.72 2dviA1 VAL 100 HA -0.07 0.19 1.12 -0.75 4.13 4.62 2dviA1 VAL 100 HB -0.04 -0.03 0.12 -0.04 2.12 2.13 2dviA1 VAL 100 HG13 -0.07 0.02 -0.23 -0.04 0.97 0.65 2dviA1 VAL 100 HG23 -0.12 0.00 -0.08 -0.04 0.95 0.71 2dviA1 HIS 101 H 0.12 0.57 0.41 -0.55 8.41 8.96 2dviA1 HIS 101 HA 0.13 0.29 1.19 -0.75 4.63 5.48 2dviA1 HIS 101 HB2 0.17 -0.06 0.05 -0.04 3.26 3.38 2dviA1 HIS 101 HB3 0.06 -0.00 0.19 -0.04 3.20 3.40 2dviA1 HIS 101 HD2 0.05 -0.03 -0.13 -0.04 6.97 6.81 2dviA1 HIS 101 HE1 0.06 -0.05 -0.05 -0.04 7.75 7.67 2dviA1 GLY 102 H -0.50 0.58 0.43 -0.55 8.43 8.40 2dviA1 GLY 102 HA2 -0.10 0.11 0.72 -0.51 4.01 4.22 2dviA1 GLY 102 HA3 -0.05 0.08 0.48 -0.51 4.01 4.01 2dviA1 VAL 103 H -0.05 0.32 0.36 -0.55 8.24 8.31 2dviA1 VAL 103 HA -0.09 0.52 0.99 -0.75 4.13 4.79 2dviA1 VAL 103 HB -0.03 -0.05 0.04 -0.04 2.12 2.04 2dviA1 VAL 103 HG13 -0.03 -0.03 -0.26 -0.04 0.97 0.60 2dviA1 VAL 103 HG23 -0.04 0.02 -0.29 -0.04 0.95 0.60 2dviA1 VAL 104 H -0.07 0.56 0.19 -0.55 8.24 8.37 2dviA1 VAL 104 HA -0.03 0.12 0.90 -0.75 4.13 4.36 2dviA1 VAL 104 HB -0.06 -0.00 0.11 -0.04 2.12 2.12 2dviA1 VAL 104 HG13 -0.04 0.02 -0.06 -0.04 0.97 0.85 2dviA1 VAL 104 HG23 -0.05 0.01 -0.15 -0.04 0.95 0.72 2dviA1 LYS 105 H -0.02 0.20 0.10 -0.55 8.42 8.13 2dviA1 LYS 105 HA -0.02 0.05 0.33 -0.75 4.32 3.93 2dviA1 LYS 105 HB2 -0.03 0.15 -0.11 -0.04 1.87 1.84 2dviA1 LYS 105 HB3 -0.02 0.01 0.17 -0.04 1.79 1.91 2dviA1 LYS 105 HG2 -0.01 0.02 0.03 -0.04 1.46 1.45 2dviA1 LYS 105 HG3 -0.02 -0.05 -0.10 -0.04 1.46 1.25 2dviA1 LYS 105 HD2 -0.01 0.01 -0.02 -0.04 1.69 1.62 2dviA1 LYS 105 HD3 -0.02 0.07 -0.19 -0.04 1.68 1.50 2dviA1 LYS 105 HE2 -0.01 0.02 -0.04 -0.04 2.99 2.93 2dviA1 LYS 105 HE3 -0.01 -0.03 -0.04 -0.04 2.99 2.87 2dviA1 GLY 106 H -0.03 0.02 -0.23 -0.55 8.43 7.65 2dviA1 GLY 106 HA2 -0.01 -0.00 0.22 -0.51 4.01 3.71 2dviA1 GLY 106 HA3 -0.01 0.13 0.46 -0.51 4.01 4.09 2dviA1 VAL 107 H -0.05 0.17 -0.38 -0.55 8.24 7.43 2dviA1 VAL 107 HA -0.06 0.22 1.06 -0.75 4.13 4.60 2dviA1 VAL 107 HB -0.12 0.07 0.04 -0.04 2.12 2.07 2dviA1 VAL 107 HG13 -0.21 0.05 -0.10 -0.04 0.97 0.67 2dviA1 VAL 107 HG23 -0.09 0.04 -0.24 -0.04 0.95 0.61 2dviA1 GLU 108 H -0.05 0.21 0.19 -0.55 8.60 8.40 2dviA1 GLU 108 HA -0.10 0.23 0.63 -0.75 4.29 4.29 2dviA1 GLU 108 HB2 0.03 -0.02 0.23 -0.04 2.09 2.29 2dviA1 GLU 108 HB3 0.14 -0.01 0.09 -0.04 1.99 2.17 2dviA1 GLU 108 HG2 0.02 -0.05 0.17 -0.04 2.34 2.44 2dviA1 GLU 108 HG3 0.07 0.05 0.06 -0.04 2.34 2.48 2dviA1 VAL 109 H -0.27 0.67 0.41 -0.55 8.24 8.50 2dviA1 VAL 109 HA -0.06 0.17 0.94 -0.75 4.13 4.42 2dviA1 VAL 109 HB -0.10 -0.05 -0.15 -0.04 2.12 1.77 2dviA1 VAL 109 HG13 -0.07 -0.01 -0.28 -0.04 0.97 0.56 2dviA1 VAL 109 HG23 -0.10 0.03 -0.31 -0.04 0.95 0.53 2dviA1 ASP 110 H 0.02 0.78 0.31 -0.55 8.40 8.96 2dviA1 ASP 110 HA 0.16 0.30 1.13 -0.75 4.63 5.47 2dviA1 ASP 110 HB2 0.08 0.00 0.16 -0.04 2.71 2.91 2dviA1 ASP 110 HB3 0.04 -0.03 -0.03 -0.04 2.70 2.64 2dviA1 VAL 111 H 0.06 0.69 0.25 -0.55 8.24 8.69 2dviA1 VAL 111 HA -0.06 0.15 0.85 -0.75 4.13 4.31 2dviA1 VAL 111 HB -0.03 -0.09 0.22 -0.04 2.12 2.18 2dviA1 VAL 111 HG13 -0.07 0.00 -0.18 -0.04 0.97 0.68 2dviA1 VAL 111 HG23 -0.07 0.03 -0.12 -0.04 0.95 0.74 2dviA1 VAL 112 H -0.16 0.85 0.36 -0.55 8.24 8.74 2dviA1 VAL 112 HA -0.11 0.22 1.11 -0.75 4.13 4.60 2dviA1 VAL 112 HB -1.39 -0.06 0.04 -0.04 2.12 0.68 2dviA1 VAL 112 HG13 -0.38 0.04 -0.08 -0.04 0.97 0.51 2dviA1 VAL 112 HG23 -0.15 0.01 -0.23 -0.04 0.95 0.54 2dviA1 PRO 113 HA 0.05 0.14 0.73 -0.51 4.44 4.84 2dviA1 PRO 113 HB2 -0.25 -0.05 -0.03 -0.04 2.28 1.90 2dviA1 PRO 113 HB3 -0.13 0.04 0.10 -0.04 2.02 1.99 2dviA1 PRO 113 HG2 -0.21 0.04 -0.03 -0.04 2.03 1.80 2dviA1 PRO 113 HG3 -0.07 -0.00 -0.02 -0.04 2.03 1.90 2dviA1 PRO 113 HD2 -0.15 0.34 0.35 -0.04 3.68 4.18 2dviA1 PRO 113 HD3 -0.08 0.15 0.38 -0.04 3.65 4.05 2dviA1 CYS 114 H 0.11 0.68 0.34 -0.55 8.50 9.08 2dviA1 CYS 114 HA -0.04 -0.02 0.42 -0.75 4.58 4.19 2dviA1 CYS 114 HB2 0.10 -0.15 -0.08 -0.04 2.97 2.80 2dviA1 CYS 114 HB3 -0.07 0.08 -0.47 -0.04 2.97 2.47 2dviA1 TYR 115 H 0.17 0.02 0.09 -0.55 8.29 8.02 2dviA1 TYR 115 HA 0.10 0.24 0.67 -0.75 4.56 4.82 2dviA1 TYR 115 HB2 0.07 -0.16 0.14 -0.04 3.06 3.06 2dviA1 TYR 115 HB3 0.06 0.09 -0.10 -0.04 2.98 2.99 2dviA1 TYR 115 HD2 0.06 -0.04 -0.19 -0.04 7.15 6.93 2dviA1 TYR 115 HE2 0.07 0.03 -0.17 -0.04 6.85 6.74 2dviA1 LYS 116 H 0.11 0.55 0.27 -0.55 8.42 8.80 2dviA1 LYS 116 HA 0.06 0.03 0.57 -0.75 4.32 4.23 2dviA1 LYS 116 HB2 -0.02 0.02 0.02 -0.04 1.87 1.85 2dviA1 LYS 116 HB3 -0.00 -0.07 0.05 -0.04 1.79 1.72 2dviA1 LYS 116 HG2 0.00 -0.06 -0.04 -0.04 1.46 1.33 2dviA1 LYS 116 HG3 0.02 0.05 -0.17 -0.04 1.46 1.31 2dviA1 LYS 116 HD2 -0.04 0.02 -0.07 -0.04 1.69 1.56 2dviA1 LYS 116 HD3 -0.06 0.01 -0.11 -0.04 1.68 1.48 2dviA1 LYS 116 HE2 -0.04 -0.04 -0.07 -0.04 2.99 2.80 2dviA1 LYS 116 HE3 -0.02 -0.00 -0.06 -0.04 2.99 2.87 2dviA1 LEU 117 H 0.16 0.16 0.16 -0.55 8.37 8.30 2dviA1 LEU 117 HA 0.12 0.17 0.84 -0.75 4.35 4.73 2dviA1 LEU 117 HB2 0.32 -0.01 -0.14 -0.04 1.64 1.76 2dviA1 LEU 117 HB3 0.13 0.05 0.11 -0.04 1.64 1.88 2dviA1 LEU 117 HG 0.19 0.15 -0.23 -0.04 1.64 1.71 2dviA1 LEU 117 HD13 0.10 -0.02 -0.02 -0.04 0.93 0.95 2dviA1 LEU 117 HD23 0.06 0.01 -0.07 -0.04 0.89 0.84 2dviA1 LYS 118 H 0.14 0.41 0.18 -0.55 8.42 8.60 2dviA1 LYS 118 HA 0.32 0.09 0.64 -0.75 4.32 4.62 2dviA1 LYS 118 HB2 0.09 0.01 0.03 -0.04 1.87 1.96 2dviA1 LYS 118 HB3 0.10 0.06 -0.02 -0.04 1.79 1.89 2dviA1 LYS 118 HG2 0.07 -0.07 0.07 -0.04 1.46 1.50 2dviA1 LYS 118 HG3 0.05 0.03 0.09 -0.04 1.46 1.59 2dviA1 LYS 118 HD2 0.04 0.01 -0.01 -0.04 1.69 1.69 2dviA1 LYS 118 HD3 0.05 0.02 -0.02 -0.04 1.68 1.68 2dviA1 LYS 118 HE2 0.03 0.01 0.00 -0.04 2.99 2.99 2dviA1 LYS 118 HE3 0.04 -0.01 0.01 -0.04 2.99 2.99 2dviA1 GLU 119 H 0.08 0.13 0.05 -0.55 8.60 8.31 2dviA1 GLU 119 HA -0.21 0.09 0.42 -0.75 4.29 3.83 2dviA1 GLU 119 HB2 -0.04 0.32 0.10 -0.04 2.09 2.43 2dviA1 GLU 119 HB3 -0.09 -0.12 0.12 -0.04 1.99 1.86 2dviA1 GLU 119 HG2 0.00 -0.04 -0.09 -0.04 2.34 2.17 2dviA1 GLU 119 HG3 -0.01 0.03 -0.04 -0.04 2.34 2.28 2dviA1 PRO 120 HA -0.34 0.13 0.32 -0.51 4.44 4.04 2dviA1 PRO 120 HB2 -0.30 0.09 -0.04 -0.04 2.28 1.99 2dviA1 PRO 120 HB3 -0.41 -0.04 0.01 -0.04 2.02 1.54 2dviA1 PRO 120 HG2 -0.60 0.06 0.04 -0.04 2.03 1.49 2dviA1 PRO 120 HG3 -3.12 0.02 -0.03 -0.04 2.03 -1.14 2dviA1 PRO 120 HD2 -0.36 0.24 0.16 -0.04 3.68 3.67 2dviA1 PRO 120 HD3 -0.71 0.02 0.20 -0.04 3.65 3.11 2dviA1 LYS 121 H -0.16 0.05 -0.69 -0.55 8.42 7.07 2dviA1 LYS 121 HA -0.08 0.02 0.35 -0.75 4.32 3.85 2dviA1 LYS 121 HB2 -0.06 0.02 0.08 -0.04 1.87 1.86 2dviA1 LYS 121 HB3 -0.05 0.03 -0.04 -0.04 1.79 1.70 2dviA1 LYS 121 HG2 -0.08 -0.03 0.02 -0.04 1.46 1.33 2dviA1 LYS 121 HG3 -0.05 0.03 0.02 -0.04 1.46 1.42 2dviA1 LYS 121 HD2 -0.04 0.01 0.00 -0.04 1.69 1.63 2dviA1 LYS 121 HD3 -0.06 -0.03 0.03 -0.04 1.68 1.58 2dviA1 LYS 121 HE2 -0.04 0.02 0.01 -0.04 2.99 2.94 2dviA1 LYS 121 HE3 -0.03 0.03 0.00 -0.04 2.99 2.95 2dviA1 ASN 122 H -0.05 0.18 -0.09 -0.55 8.53 8.02 2dviA1 ASN 122 HA -0.03 0.16 0.88 -0.75 4.76 5.02 2dviA1 ASN 122 HB2 -0.03 -0.03 0.00 -0.04 2.88 2.78 2dviA1 ASN 122 HB3 -0.03 -0.01 0.14 -0.04 2.79 2.85 2dviA1 ASN 122 HD21 -0.02 0.00 -0.02 -0.04 7.03 6.95 2dviA1 ASN 122 HD22 -0.02 -0.03 -0.02 -0.04 7.74 7.63 2dviA1 ILE 123 H -0.02 0.20 0.01 -0.55 8.25 7.89 2dviA1 ILE 123 HA 0.00 0.03 0.47 -0.75 4.18 3.93 2dviA1 ILE 123 HB -0.01 0.07 0.06 -0.04 1.89 1.96 2dviA1 ILE 123 HG12 -0.01 -0.07 -0.04 -0.04 1.49 1.32 2dviA1 ILE 123 HG13 0.03 -0.15 0.04 -0.04 1.21 1.09 2dviA1 ILE 123 HG23 0.01 0.01 -0.27 -0.04 0.93 0.65 2dviA1 ILE 123 HD13 -0.04 0.10 -0.24 -0.04 0.88 0.66 2dviA1 LYS 124 H 0.04 0.01 0.21 -0.55 8.42 8.12 2dviA1 LYS 124 HA -0.04 0.25 0.88 -0.75 4.32 4.66 2dviA1 LYS 124 HB2 -0.18 0.08 0.03 -0.04 1.87 1.76 2dviA1 LYS 124 HB3 -0.25 -0.08 0.10 -0.04 1.79 1.51 2dviA1 LYS 124 HG2 -0.25 -0.08 -0.11 -0.04 1.46 0.98 2dviA1 LYS 124 HG3 -0.17 0.02 0.08 -0.04 1.46 1.34 2dviA1 LYS 124 HD2 -0.42 0.02 0.03 -0.04 1.69 1.27 2dviA1 LYS 124 HD3 -1.61 -0.03 -0.00 -0.04 1.68 -0.00 2dviA1 LYS 124 HE2 -0.28 -0.14 -0.01 -0.04 2.99 2.53 2dviA1 LYS 124 HE3 -0.18 -0.07 0.02 -0.04 2.99 2.72 2dviA1 SER 125 H 0.15 0.03 0.22 -0.55 8.46 8.31 2dviA1 SER 125 HA 0.18 0.25 0.84 -0.75 4.49 5.01 2dviA1 SER 125 HB2 0.33 0.09 0.13 -0.04 3.95 4.46 2dviA1 SER 125 HB3 0.48 0.06 0.03 -0.04 3.93 4.45 2dviA1 ALA 126 H 0.09 0.21 0.13 -0.55 8.40 8.28 2dviA1 ALA 126 HA -0.00 0.13 0.30 -0.75 4.34 4.02 2dviA1 ALA 126 HB3 -0.00 0.02 0.11 -0.04 1.41 1.50 2dviA1 VAL 127 H -0.34 0.08 -0.37 -0.55 8.24 7.06 2dviA1 VAL 127 HA -0.06 0.23 0.96 -0.75 4.13 4.50 2dviA1 VAL 127 HB 0.12 -0.03 0.13 -0.04 2.12 2.29 2dviA1 VAL 127 HG13 -0.45 0.00 -0.08 -0.04 0.97 0.41 2dviA1 VAL 127 HG23 -0.31 0.02 -0.11 -0.04 0.95 0.51 2dviA1 ASP 128 H 0.02 0.46 -0.13 -0.55 8.40 8.20 2dviA1 ASP 128 HA 0.14 0.12 0.33 -0.75 4.63 4.47 2dviA1 ASP 128 HB2 0.07 0.02 0.12 -0.04 2.71 2.89 2dviA1 ASP 128 HB3 0.16 0.11 0.11 -0.04 2.70 3.04 2dviA1 ARG 129 H -0.04 0.12 -0.32 -0.55 8.46 7.66 2dviA1 ARG 129 HA 0.01 0.14 0.45 -0.75 4.34 4.18 2dviA1 ARG 129 HB2 -0.24 0.00 0.02 -0.04 1.90 1.64 2dviA1 ARG 129 HB3 -0.65 -0.05 -0.07 -0.04 1.80 0.99 2dviA1 ARG 129 HG2 -0.11 0.09 -0.03 -0.04 1.67 1.57 2dviA1 ARG 129 HG3 -0.06 0.00 -0.02 -0.04 1.67 1.55 2dviA1 ARG 129 HD2 0.05 -0.04 -0.04 -0.04 3.22 3.15 2dviA1 ARG 129 HD3 0.03 -0.04 -0.07 -0.04 3.22 3.11 2dviA1 THR 130 H -0.15 0.25 -0.22 -0.55 8.28 7.62 2dviA1 THR 130 HA -0.35 -0.06 0.29 -0.75 4.39 3.51 2dviA1 THR 130 HB -0.33 0.21 0.07 -0.04 4.32 4.23 2dviA1 THR 130 HG23 -0.49 -0.02 -0.12 -0.04 1.22 0.54 2dviA1 PRO 131 HA -0.20 0.04 0.41 -0.51 4.44 4.18 2dviA1 PRO 131 HB2 -0.38 0.08 -0.05 -0.04 2.28 1.89 2dviA1 PRO 131 HB3 -0.22 0.05 0.01 -0.04 2.02 1.82 2dviA1 PRO 131 HG2 -0.02 0.09 -0.09 -0.04 2.03 1.97 2dviA1 PRO 131 HG3 -0.24 0.01 -0.09 -0.04 2.03 1.67 2dviA1 PRO 131 HD2 -0.02 0.40 -0.26 -0.04 3.68 3.75 2dviA1 PRO 131 HD3 -0.12 0.13 -0.03 -0.04 3.65 3.59 2dviA1 PHE 132 H 0.03 0.43 -0.28 -0.55 8.34 7.97 2dviA1 PHE 132 HA 0.04 0.07 0.54 -0.75 4.62 4.52 2dviA1 PHE 132 HB2 -0.12 0.17 0.13 -0.04 3.15 3.28 2dviA1 PHE 132 HB3 0.02 -0.04 0.03 -0.04 3.06 3.03 2dviA1 PHE 132 HD2 -0.01 0.09 0.06 -0.04 7.28 7.37 2dviA1 PHE 132 HE2 0.01 -0.01 -0.10 -0.04 7.38 7.25 2dviA1 PHE 132 HZ 0.01 0.03 -0.66 -0.04 7.32 6.66 2dviA1 HIS 133 H -0.06 0.42 -0.15 -0.55 8.41 8.08 2dviA1 HIS 133 HA 0.10 0.04 0.47 -0.75 4.63 4.48 2dviA1 HIS 133 HB2 -0.26 0.14 0.10 -0.04 3.26 3.21 2dviA1 HIS 133 HB3 -0.53 -0.05 -0.02 -0.04 3.20 2.56 2dviA1 HIS 133 HD2 -0.04 -0.01 -0.10 -0.04 6.97 6.78 2dviA1 HIS 133 HE1 -0.16 0.01 -0.07 -0.04 7.75 7.48 2dviA1 HIS 134 H 0.13 0.40 -0.26 -0.55 8.41 8.14 2dviA1 HIS 134 HA 0.10 -0.01 0.40 -0.75 4.63 4.36 2dviA1 HIS 134 HB2 -0.06 -0.11 0.14 -0.04 3.26 3.19 2dviA1 HIS 134 HB3 -0.05 0.27 0.18 -0.04 3.20 3.56 2dviA1 HIS 134 HD2 -0.00 0.03 -0.11 -0.04 6.97 6.84 2dviA1 HIS 134 HE1 0.05 0.02 -0.25 -0.04 7.75 7.52 2dviA1 LYS 135 H 0.12 0.37 -0.11 -0.55 8.42 8.24 2dviA1 LYS 135 HA -0.03 0.06 0.45 -0.75 4.32 4.04 2dviA1 LYS 135 HB2 0.14 0.04 0.12 -0.04 1.87 2.12 2dviA1 LYS 135 HB3 0.07 0.01 0.02 -0.04 1.79 1.85 2dviA1 LYS 135 HG2 0.02 0.17 0.11 -0.04 1.46 1.72 2dviA1 LYS 135 HG3 -0.01 -0.01 0.02 -0.04 1.46 1.42 2dviA1 LYS 135 HD2 0.03 0.01 0.02 -0.04 1.69 1.71 2dviA1 LYS 135 HD3 0.08 -0.03 -0.02 -0.04 1.68 1.67 2dviA1 LYS 135 HE2 0.08 0.01 -0.00 -0.04 2.99 3.04 2dviA1 LYS 135 HE3 0.10 -0.00 -0.00 -0.04 2.99 3.04 2dviA1 TRP 136 H 0.35 0.34 -0.31 -0.55 7.97 7.80 2dviA1 TRP 136 HA 0.05 0.07 0.37 -0.75 4.62 4.36 2dviA1 TRP 136 HB2 0.14 0.09 0.11 -0.04 3.23 3.53 2dviA1 TRP 136 HB3 0.15 0.01 0.06 -0.04 3.23 3.41 2dviA1 TRP 136 HD1 0.08 0.01 -0.03 -0.04 7.22 7.23 2dviA1 TRP 136 HE1 0.05 0.04 -0.03 -0.04 10.20 10.23 2dviA1 TRP 136 HE3 0.11 0.01 -0.29 -0.04 7.59 7.38 2dviA1 TRP 136 HZ2 0.04 0.06 -0.07 -0.04 7.44 7.43 2dviA1 TRP 136 HZ3 0.04 -0.01 -0.09 -0.04 7.13 7.03 2dviA1 TRP 136 HH2 0.04 0.08 -0.11 -0.04 7.19 7.16 2dviA1 LEU 137 H 0.27 0.39 -0.25 -0.55 8.37 8.23 2dviA1 LEU 137 HA 0.07 0.08 0.54 -0.75 4.35 4.29 2dviA1 LEU 137 HB2 0.25 0.27 0.16 -0.04 1.64 2.28 2dviA1 LEU 137 HB3 0.10 -0.01 -0.08 -0.04 1.64 1.61 2dviA1 LEU 137 HG 0.22 -0.02 -0.07 -0.04 1.64 1.73 2dviA1 LEU 137 HD13 0.56 0.00 -0.12 -0.04 0.93 1.33 2dviA1 LEU 137 HD23 0.43 -0.02 -0.07 -0.04 0.89 1.20 2dviA1 GLU 138 H -0.16 0.63 -0.02 -0.55 8.60 8.50 2dviA1 GLU 138 HA -0.13 -0.03 0.29 -0.75 4.29 3.67 2dviA1 GLU 138 HB2 -0.11 -0.02 -0.00 -0.04 2.09 1.92 2dviA1 GLU 138 HB3 -0.37 0.02 0.11 -0.04 1.99 1.72 2dviA1 GLU 138 HG2 -0.12 0.12 0.21 -0.04 2.34 2.51 2dviA1 GLU 138 HG3 -0.10 -0.18 0.06 -0.04 2.34 2.08 2dviA1 GLY 139 H -0.14 0.24 -0.27 -0.55 8.43 7.71 2dviA1 GLY 139 HA2 -0.08 0.08 0.58 -0.51 4.01 4.08 2dviA1 GLY 139 HA3 -0.12 0.02 0.30 -0.51 4.01 3.70 2dviA1 ARG 140 H -0.18 0.38 -0.12 -0.55 8.46 7.98 2dviA1 ARG 140 HA -0.14 0.22 0.90 -0.75 4.34 4.56 2dviA1 ARG 140 HB2 -0.31 -0.02 0.13 -0.04 1.90 1.67 2dviA1 ARG 140 HB3 -0.22 -0.00 0.05 -0.04 1.80 1.59 2dviA1 ARG 140 HG2 -0.37 0.01 -0.02 -0.04 1.67 1.25 2dviA1 ARG 140 HG3 -0.51 -0.03 -0.03 -0.04 1.67 1.05 2dviA1 ARG 140 HD2 -1.66 -0.06 -0.01 -0.04 3.22 1.45 2dviA1 ARG 140 HD3 -0.83 -0.01 -0.01 -0.04 3.22 2.34 2dviA1 ILE 141 H -0.05 0.56 0.07 -0.55 8.25 8.28 2dviA1 ILE 141 HA 0.01 0.15 0.55 -0.75 4.18 4.14 2dviA1 ILE 141 HB 0.06 -0.02 0.01 -0.04 1.89 1.90 2dviA1 ILE 141 HG12 0.09 -0.06 -0.07 -0.04 1.49 1.40 2dviA1 ILE 141 HG13 0.05 -0.10 -0.07 -0.04 1.21 1.05 2dviA1 ILE 141 HG23 0.03 0.01 -0.23 -0.04 0.93 0.69 2dviA1 ILE 141 HD13 0.09 0.02 -0.06 -0.04 0.88 0.89 2dviA1 LYS 142 H -0.04 0.20 -0.35 -0.55 8.42 7.68 2dviA1 LYS 142 HA -0.01 -0.04 0.40 -0.75 4.32 3.91 2dviA1 LYS 142 HB2 -0.04 0.24 0.16 -0.04 1.87 2.20 2dviA1 LYS 142 HB3 -0.04 0.06 0.07 -0.04 1.79 1.85 2dviA1 LYS 142 HG2 -0.03 -0.01 0.01 -0.04 1.46 1.40 2dviA1 LYS 142 HG3 -0.02 -0.04 -0.08 -0.04 1.46 1.27 2dviA1 LYS 142 HD2 -0.01 -0.04 0.05 -0.04 1.69 1.65 2dviA1 LYS 142 HD3 -0.02 0.07 0.05 -0.04 1.68 1.74 2dviA1 LYS 142 HE2 -0.01 -0.01 0.00 -0.04 2.99 2.93 2dviA1 LYS 142 HE3 -0.01 -0.04 0.00 -0.04 2.99 2.90 2dviA1 GLY 143 H -0.01 0.08 0.24 -0.55 8.43 8.19 2dviA1 GLY 143 HA2 -0.02 -0.03 0.41 -0.51 4.01 3.87 2dviA1 GLY 143 HA3 -0.01 0.26 0.81 -0.51 4.01 4.56 2dviA1 LYS 144 H 0.00 0.67 -0.19 -0.55 8.42 8.35 2dviA1 LYS 144 HA 0.01 0.15 0.97 -0.75 4.32 4.69 2dviA1 LYS 144 HB2 0.02 0.15 0.02 -0.04 1.87 2.02 2dviA1 LYS 144 HB3 0.04 -0.15 0.16 -0.04 1.79 1.80 2dviA1 LYS 144 HG2 0.02 -0.02 0.03 -0.04 1.46 1.45 2dviA1 LYS 144 HG3 0.01 -0.00 -0.28 -0.04 1.46 1.15 2dviA1 LYS 144 HD2 0.04 0.00 -0.02 -0.04 1.69 1.67 2dviA1 LYS 144 HD3 0.01 0.01 0.03 -0.04 1.68 1.69 2dviA1 LYS 144 HE2 -0.01 0.03 -0.05 -0.04 2.99 2.93 2dviA1 LYS 144 HE3 0.01 -0.07 -0.01 -0.04 2.99 2.88 2dviA1 GLU 145 H -0.01 0.13 -0.05 -0.55 8.60 8.13 2dviA1 GLU 145 HA 0.02 0.05 0.46 -0.75 4.29 4.06 2dviA1 GLU 145 HB2 -0.04 0.21 0.17 -0.04 2.09 2.40 2dviA1 GLU 145 HB3 0.00 0.09 0.07 -0.04 1.99 2.12 2dviA1 GLU 145 HG2 -0.05 -0.09 0.05 -0.04 2.34 2.21 2dviA1 GLU 145 HG3 -0.04 0.15 0.10 -0.04 2.34 2.51 2dviA1 ASN 146 H -0.03 0.16 -0.20 -0.55 8.53 7.91 2dviA1 ASN 146 HA -0.08 0.14 0.48 -0.75 4.76 4.55 2dviA1 ASN 146 HB2 -0.04 0.02 0.05 -0.04 2.88 2.86 2dviA1 ASN 146 HB3 -0.07 0.02 0.02 -0.04 2.79 2.72 2dviA1 ASN 146 HD21 -0.06 0.03 0.02 -0.04 7.03 6.97 2dviA1 ASN 146 HD22 -0.05 0.02 0.02 -0.04 7.74 7.69 2dviA1 GLU 147 H 0.01 0.24 -0.30 -0.55 8.60 8.00 2dviA1 GLU 147 HA 0.04 0.00 0.47 -0.75 4.29 4.05 2dviA1 GLU 147 HB2 0.06 0.33 0.16 -0.04 2.09 2.60 2dviA1 GLU 147 HB3 0.11 -0.18 0.04 -0.04 1.99 1.92 2dviA1 GLU 147 HG2 0.03 0.02 0.12 -0.04 2.34 2.47 2dviA1 GLU 147 HG3 0.06 0.24 0.19 -0.04 2.34 2.78 2dviA1 VAL 148 H 0.04 0.39 -0.14 -0.55 8.24 7.99 2dviA1 VAL 148 HA 0.11 0.02 0.32 -0.75 4.13 3.82 2dviA1 VAL 148 HB 0.05 0.19 0.13 -0.04 2.12 2.45 2dviA1 VAL 148 HG13 0.11 -0.02 -0.18 -0.04 0.97 0.84 2dviA1 VAL 148 HG23 0.09 0.03 -0.02 -0.04 0.95 1.02 2dviA1 ARG 149 H -0.02 0.43 -0.30 -0.55 8.46 8.02 2dviA1 ARG 149 HA -0.04 0.01 0.35 -0.75 4.34 3.91 2dviA1 ARG 149 HB2 -0.09 0.06 0.13 -0.04 1.90 1.96 2dviA1 ARG 149 HB3 -0.11 -0.04 -0.12 -0.04 1.80 1.50 2dviA1 ARG 149 HG2 -0.13 -0.00 -0.22 -0.04 1.67 1.27 2dviA1 ARG 149 HG3 -0.08 0.01 -0.09 -0.04 1.67 1.47 2dviA1 ARG 149 HD2 -0.16 -0.04 -0.12 -0.04 3.22 2.86 2dviA1 ARG 149 HD3 -0.21 -0.04 -0.10 -0.04 3.22 2.82 2dviA1 LEU 150 H -0.08 0.47 -0.20 -0.55 8.37 8.01 2dviA1 LEU 150 HA -0.15 0.06 0.36 -0.75 4.35 3.87 2dviA1 LEU 150 HB2 -0.26 0.06 0.20 -0.04 1.64 1.60 2dviA1 LEU 150 HB3 -1.13 -0.02 -0.02 -0.04 1.64 0.43 2dviA1 LEU 150 HG -0.21 0.10 0.03 -0.04 1.64 1.53 2dviA1 LEU 150 HD13 -0.14 -0.03 -0.01 -0.04 0.93 0.70 2dviA1 LEU 150 HD23 -0.49 0.03 -0.07 -0.04 0.89 0.32 2dviA1 LEU 151 H 0.06 0.47 -0.16 -0.55 8.37 8.19 2dviA1 LEU 151 HA 0.36 0.02 0.31 -0.75 4.35 4.29 2dviA1 LEU 151 HB2 0.30 -0.03 0.09 -0.04 1.64 1.96 2dviA1 LEU 151 HB3 0.15 0.15 0.13 -0.04 1.64 2.02 2dviA1 LEU 151 HG 0.11 -0.02 -0.19 -0.04 1.64 1.51 2dviA1 LEU 151 HD13 0.20 -0.00 0.00 -0.04 0.93 1.08 2dviA1 LEU 151 HD23 0.17 -0.01 -0.02 -0.04 0.89 0.99 2dviA1 LYS 152 H 0.01 0.63 -0.12 -0.55 8.42 8.38 2dviA1 LYS 152 HA -0.17 -0.00 0.47 -0.75 4.32 3.86 2dviA1 LYS 152 HB2 -0.12 0.12 0.13 -0.04 1.87 1.96 2dviA1 LYS 152 HB3 -0.51 -0.09 0.01 -0.04 1.79 1.16 2dviA1 LYS 152 HG2 0.07 -0.08 0.01 -0.04 1.46 1.42 2dviA1 LYS 152 HG3 0.04 0.23 -0.02 -0.04 1.46 1.68 2dviA1 LYS 152 HD2 0.04 0.16 -0.02 -0.04 1.69 1.84 2dviA1 LYS 152 HD3 0.05 -0.11 0.02 -0.04 1.68 1.59 2dviA1 LYS 152 HE2 0.28 -0.10 0.04 -0.04 2.99 3.16 2dviA1 LYS 152 HE3 0.16 0.05 -0.06 -0.04 2.99 3.09 2dviA1 GLY 153 H -0.03 0.78 -0.06 -0.55 8.43 8.58 2dviA1 GLY 153 HA2 -0.04 -0.02 0.41 -0.51 4.01 3.85 2dviA1 GLY 153 HA3 0.08 0.10 0.32 -0.51 4.01 4.00 2dviA1 PHE 154 H 0.11 0.45 -0.32 -0.55 8.34 8.03 2dviA1 PHE 154 HA -0.48 0.19 0.43 -0.75 4.62 4.01 2dviA1 PHE 154 HB2 -0.32 0.06 0.03 -0.04 3.15 2.87 2dviA1 PHE 154 HB3 -0.00 0.06 0.10 -0.04 3.06 3.18 2dviA1 PHE 154 HD2 -0.64 -0.00 -0.15 -0.04 7.28 6.44 2dviA1 PHE 154 HE2 -0.45 -0.03 -0.11 -0.04 7.38 6.75 2dviA1 PHE 154 HZ -0.34 0.05 -0.17 -0.04 7.32 6.81 2dviA1 LEU 155 H 0.08 0.46 -0.10 -0.55 8.37 8.26 2dviA1 LEU 155 HA -0.06 0.08 0.32 -0.75 4.35 3.94 2dviA1 LEU 155 HB2 0.08 0.06 0.10 -0.04 1.64 1.83 2dviA1 LEU 155 HB3 0.10 -0.07 -0.27 -0.04 1.64 1.35 2dviA1 LEU 155 HG 0.04 0.11 0.04 -0.04 1.64 1.79 2dviA1 LEU 155 HD13 -0.10 -0.02 -0.08 -0.04 0.93 0.69 2dviA1 LEU 155 HD23 -0.79 0.00 -0.07 -0.04 0.89 -0.01 2dviA1 LYS 156 H -0.07 0.62 -0.22 -0.55 8.42 8.19 2dviA1 LYS 156 HA 0.12 -0.17 0.47 -0.75 4.32 4.00 2dviA1 LYS 156 HB2 -0.18 -0.05 0.09 -0.04 1.87 1.68 2dviA1 LYS 156 HB3 -0.07 0.16 0.15 -0.04 1.79 2.00 2dviA1 LYS 156 HG2 0.01 0.03 -0.05 -0.04 1.46 1.41 2dviA1 LYS 156 HG3 0.03 0.07 -0.27 -0.04 1.46 1.25 2dviA1 LYS 156 HD2 0.13 -0.06 0.04 -0.04 1.69 1.75 2dviA1 LYS 156 HD3 0.22 -0.09 0.00 -0.04 1.68 1.77 2dviA1 LYS 156 HE2 0.08 0.06 -0.04 -0.04 2.99 3.05 2dviA1 LYS 156 HE3 0.13 -0.08 -0.02 -0.04 2.99 2.98 2dviA1 ALA 157 H -0.05 0.61 -0.15 -0.55 8.40 8.26 2dviA1 ALA 157 HA -0.02 -0.05 0.26 -0.75 4.34 3.78 2dviA1 ALA 157 HB3 -0.06 0.12 -0.25 -0.04 1.41 1.19 2dviA1 ASN 158 H -0.10 0.12 -0.87 -0.55 8.53 7.14 2dviA1 ASN 158 HA -0.09 0.19 0.93 -0.75 4.76 5.04 2dviA1 ASN 158 HB2 -0.22 0.04 0.04 -0.04 2.88 2.71 2dviA1 ASN 158 HB3 -0.11 -0.08 0.14 -0.04 2.79 2.70 2dviA1 ASN 158 HD21 -0.52 0.05 0.04 -0.04 7.03 6.57 2dviA1 ASN 158 HD22 -0.68 0.51 0.08 -0.04 7.74 7.61 2dviA1 GLY 159 H 0.00 0.45 -0.16 -0.55 8.43 8.17 2dviA1 GLY 159 HA2 0.04 -0.04 0.35 -0.51 4.01 3.85 2dviA1 GLY 159 HA3 0.02 0.08 0.38 -0.51 4.01 3.97 2dviA1 ILE 160 H 0.07 0.56 -0.11 -0.55 8.25 8.22 2dviA1 ILE 160 HA 0.11 0.28 0.97 -0.75 4.18 4.79 2dviA1 ILE 160 HB 0.32 -0.12 0.16 -0.04 1.89 2.21 2dviA1 ILE 160 HG12 0.06 0.13 -0.10 -0.04 1.49 1.53 2dviA1 ILE 160 HG13 0.06 -0.10 -0.09 -0.04 1.21 1.05 2dviA1 ILE 160 HG23 0.12 0.06 -0.13 -0.04 0.93 0.93 2dviA1 ILE 160 HD13 0.22 -0.01 -0.05 -0.04 0.88 1.00 2dviA1 TYR 161 H 0.20 0.15 -0.18 -0.55 8.29 7.90 2dviA1 TYR 161 HA 0.10 0.13 0.47 -0.75 4.56 4.51 2dviA1 TYR 161 HB2 0.04 0.02 -0.31 -0.04 3.06 2.77 2dviA1 TYR 161 HB3 0.05 -0.04 0.02 -0.04 2.98 2.97 2dviA1 TYR 161 HD2 0.08 0.04 -0.01 -0.04 7.15 7.22 2dviA1 TYR 161 HE2 0.10 -0.03 -0.08 -0.04 6.85 6.81 2dviA1 GLY 162 H 0.01 0.11 -0.10 -0.55 8.43 7.90 2dviA1 GLY 162 HA2 -0.38 0.00 0.33 -0.51 4.01 3.46 2dviA1 GLY 162 HA3 -0.12 -0.03 0.24 -0.51 4.01 3.60 2dviA1 ALA 163 H -0.16 0.04 0.06 -0.55 8.40 7.78 2dviA1 ALA 163 HA -0.12 0.33 0.52 -0.75 4.34 4.32 2dviA1 ALA 163 HB3 -0.11 -0.03 0.03 -0.04 1.41 1.25 2dviA1 GLU 164 H -0.10 -0.03 -0.10 -0.55 8.60 7.82 2dviA1 GLU 164 HA -0.16 0.12 0.44 -0.75 4.29 3.94 2dviA1 GLU 164 HB2 -0.03 -0.02 0.10 -0.04 2.09 2.10 2dviA1 GLU 164 HB3 -0.05 0.03 0.10 -0.04 1.99 2.03 2dviA1 GLU 164 HG2 -0.07 -0.12 -0.18 -0.04 2.34 1.93 2dviA1 GLU 164 HG3 -0.04 0.07 -0.05 -0.04 2.34 2.27 2dviA1 TYR 165 H -0.06 0.11 0.15 -0.55 8.29 7.94 2dviA1 TYR 165 HA -0.00 0.19 0.31 -0.75 4.56 4.31 2dviA1 TYR 165 HB2 0.04 -0.09 0.12 -0.04 3.06 3.08 2dviA1 TYR 165 HB3 0.07 0.05 -0.07 -0.04 2.98 3.00 2dviA1 TYR 165 HD2 0.04 0.03 0.10 -0.04 7.15 7.27 2dviA1 TYR 165 HE2 0.02 0.02 0.04 -0.04 6.85 6.89 2dviA1 LYS 166 H -0.08 -0.06 -0.37 -0.55 8.42 7.36 2dviA1 LYS 166 HA -0.51 0.11 0.38 -0.75 4.32 3.55 2dviA1 LYS 166 HB2 -0.52 -0.11 0.02 -0.04 1.87 1.23 2dviA1 LYS 166 HB3 -0.21 -0.04 -0.06 -0.04 1.79 1.43 2dviA1 LYS 166 HG2 -0.27 0.11 0.02 -0.04 1.46 1.28 2dviA1 LYS 166 HG3 -1.29 0.00 0.06 -0.04 1.46 0.19 2dviA1 LYS 166 HD2 -0.16 -0.07 0.00 -0.04 1.69 1.42 2dviA1 LYS 166 HD3 -0.10 -0.02 -0.04 -0.04 1.68 1.47 2dviA1 LYS 166 HE2 0.01 0.06 0.01 -0.04 2.99 3.02 2dviA1 LYS 166 HE3 0.14 0.01 0.03 -0.04 2.99 3.13 2dviA1 VAL 167 H -0.05 0.22 -0.46 -0.55 8.24 7.41 2dviA1 VAL 167 HA -0.01 0.28 0.89 -0.75 4.13 4.53 2dviA1 VAL 167 HB -0.04 -0.03 -0.16 -0.04 2.12 1.86 2dviA1 VAL 167 HG13 0.03 -0.00 -0.28 -0.04 0.97 0.68 2dviA1 VAL 167 HG23 -0.03 -0.07 -0.16 -0.04 0.95 0.66 2dviA1 ARG 168 H -0.04 0.45 -0.09 -0.55 8.46 8.23 2dviA1 ARG 168 HA -0.06 0.15 0.30 -0.75 4.34 3.97 2dviA1 ARG 168 HB2 0.03 0.21 0.20 -0.04 1.90 2.30 2dviA1 ARG 168 HB3 0.01 -0.14 0.32 -0.04 1.80 1.95 2dviA1 ARG 168 HG2 0.12 -0.09 -0.04 -0.04 1.67 1.62 2dviA1 ARG 168 HG3 0.12 0.11 -0.22 -0.04 1.67 1.64 2dviA1 ARG 168 HD2 0.10 -0.09 0.02 -0.04 3.22 3.21 2dviA1 ARG 168 HD3 0.13 0.06 0.02 -0.04 3.22 3.39 2dviA1 GLY 169 H -0.05 0.34 -0.02 -0.55 8.43 8.16 2dviA1 GLY 169 HA2 -0.02 0.11 0.81 -0.51 4.01 4.40 2dviA1 GLY 169 HA3 0.10 0.10 0.07 -0.51 4.01 3.77 2dviA1 PHE 170 H 0.45 0.72 0.13 -0.55 8.34 9.08 2dviA1 PHE 170 HA -0.04 0.01 0.69 -0.75 4.62 4.53 2dviA1 PHE 170 HB2 0.07 0.04 0.13 -0.04 3.15 3.35 2dviA1 PHE 170 HB3 0.02 -0.08 -0.08 -0.04 3.06 2.88 2dviA1 PHE 170 HD2 -0.03 0.11 -0.01 -0.04 7.28 7.30 2dviA1 PHE 170 HE2 0.00 0.04 -0.09 -0.04 7.38 7.29 2dviA1 PHE 170 HZ -0.10 0.03 -0.05 -0.04 7.32 7.15 2dviA1 SER 171 H -0.02 0.13 0.14 -0.55 8.46 8.17 2dviA1 SER 171 HA -0.15 0.08 0.45 -0.75 4.49 4.12 2dviA1 SER 171 HB2 0.01 -0.09 0.17 -0.04 3.95 4.00 2dviA1 SER 171 HB3 -0.04 0.12 0.16 -0.04 3.93 4.13 2dviA1 GLY 172 H 0.01 0.12 0.19 -0.55 8.43 8.20 2dviA1 GLY 172 HA2 0.38 0.21 0.39 -0.51 4.01 4.48 2dviA1 GLY 172 HA3 0.25 0.04 0.34 -0.51 4.01 4.13 2dviA1 TYR 173 H 0.22 0.07 -0.11 -0.55 8.29 7.93 2dviA1 TYR 173 HA 0.07 0.10 0.36 -0.75 4.56 4.33 2dviA1 TYR 173 HB2 0.02 -0.02 0.07 -0.04 3.06 3.09 2dviA1 TYR 173 HB3 -0.04 -0.00 0.03 -0.04 2.98 2.94 2dviA1 TYR 173 HD2 -0.11 0.01 -0.02 -0.04 7.15 6.98 2dviA1 TYR 173 HE2 -0.35 0.05 -0.02 -0.04 6.85 6.49 2dviA1 LEU 174 H 0.07 0.09 -0.39 -0.55 8.37 7.58 2dviA1 LEU 174 HA -0.23 0.04 0.37 -0.75 4.35 3.78 2dviA1 LEU 174 HB2 -0.05 -0.00 -0.01 -0.04 1.64 1.54 2dviA1 LEU 174 HB3 0.09 0.18 0.02 -0.04 1.64 1.89 2dviA1 LEU 174 HG 0.21 0.06 -0.32 -0.04 1.64 1.54 2dviA1 LEU 174 HD13 -0.08 -0.03 -0.04 -0.04 0.93 0.74 2dviA1 LEU 174 HD23 0.01 0.01 -0.09 -0.04 0.89 0.78 2dviA1 CYS 175 H 0.16 0.40 -0.31 -0.55 8.50 8.20 2dviA1 CYS 175 HA 0.17 0.05 0.34 -0.75 4.58 4.39 2dviA1 CYS 175 HB2 0.21 0.17 0.13 -0.04 2.97 3.44 2dviA1 CYS 175 HB3 0.16 -0.02 -0.03 -0.04 2.97 3.04 2dviA1 GLU 176 H 0.11 0.35 -0.26 -0.55 8.60 8.26 2dviA1 GLU 176 HA 0.13 0.04 0.41 -0.75 4.29 4.12 2dviA1 GLU 176 HB2 0.16 0.08 0.08 -0.04 2.09 2.37 2dviA1 GLU 176 HB3 0.17 -0.00 -0.01 -0.04 1.99 2.10 2dviA1 GLU 176 HG2 0.15 0.01 -0.05 -0.04 2.34 2.41 2dviA1 GLU 176 HG3 0.18 0.21 0.02 -0.04 2.34 2.71 2dviA1 LEU 177 H -0.08 0.41 -0.21 -0.55 8.37 7.94 2dviA1 LEU 177 HA 0.10 0.06 0.42 -0.75 4.35 4.19 2dviA1 LEU 177 HB2 -0.20 0.10 0.11 -0.04 1.64 1.61 2dviA1 LEU 177 HB3 -0.15 -0.02 -0.00 -0.04 1.64 1.43 2dviA1 LEU 177 HG -0.88 0.18 0.03 -0.04 1.64 0.93 2dviA1 LEU 177 HD13 -0.62 -0.02 -0.03 -0.04 0.93 0.21 2dviA1 LEU 177 HD23 -0.21 -0.01 -0.03 -0.04 0.89 0.59 2dviA1 LEU 178 H 0.11 0.49 -0.24 -0.55 8.37 8.18 2dviA1 LEU 178 HA 0.26 0.03 0.37 -0.75 4.35 4.26 2dviA1 LEU 178 HB2 0.25 0.15 0.11 -0.04 1.64 2.11 2dviA1 LEU 178 HB3 0.44 -0.04 -0.04 -0.04 1.64 1.95 2dviA1 LEU 178 HG 0.18 0.19 0.02 -0.04 1.64 2.00 2dviA1 LEU 178 HD13 0.44 -0.01 -0.11 -0.04 0.93 1.20 2dviA1 LEU 178 HD23 0.39 -0.01 -0.07 -0.04 0.89 1.16 2dviA1 ILE 179 H 0.18 0.45 -0.26 -0.55 8.25 8.06 2dviA1 ILE 179 HA 0.20 -0.05 0.24 -0.75 4.18 3.82 2dviA1 ILE 179 HB 0.13 0.11 0.03 -0.04 1.89 2.13 2dviA1 ILE 179 HG12 0.16 0.33 -0.01 -0.04 1.49 1.93 2dviA1 ILE 179 HG13 0.13 -0.11 -0.24 -0.04 1.21 0.95 2dviA1 ILE 179 HG23 0.10 0.00 -0.22 -0.04 0.93 0.77 2dviA1 ILE 179 HD13 0.18 -0.04 -0.33 -0.04 0.88 0.65 2dviA1 VAL 180 H 0.17 0.38 -0.34 -0.55 8.24 7.90 2dviA1 VAL 180 HA 0.09 0.10 0.38 -0.75 4.13 3.95 2dviA1 VAL 180 HB 0.26 0.03 0.11 -0.04 2.12 2.48 2dviA1 VAL 180 HG13 0.15 0.00 -0.11 -0.04 0.97 0.97 2dviA1 VAL 180 HG23 0.15 0.05 -0.07 -0.04 0.95 1.04 2dviA1 PHE 181 H 0.26 0.36 -0.30 -0.55 8.34 8.10 2dviA1 PHE 181 HA -0.02 0.10 0.46 -0.75 4.62 4.41 2dviA1 PHE 181 HB2 -0.06 -0.01 0.05 -0.04 3.15 3.09 2dviA1 PHE 181 HB3 -0.20 0.01 0.11 -0.04 3.06 2.94 2dviA1 PHE 181 HD2 -0.89 0.01 -0.14 -0.04 7.28 6.21 2dviA1 PHE 181 HE2 -0.20 -0.06 -0.23 -0.04 7.38 6.85 2dviA1 PHE 181 HZ -0.07 -0.05 -0.48 -0.04 7.32 6.68 2dviA1 TYR 182 H 0.28 0.57 0.02 -0.55 8.29 8.61 2dviA1 TYR 182 HA -0.02 0.18 0.66 -0.75 4.56 4.63 2dviA1 TYR 182 HB2 0.15 0.05 0.01 -0.04 3.06 3.22 2dviA1 TYR 182 HB3 0.07 -0.14 -0.17 -0.04 2.98 2.70 2dviA1 TYR 182 HD2 0.24 0.03 -0.04 -0.04 7.15 7.34 2dviA1 TYR 182 HE2 0.55 -0.02 -0.08 -0.04 6.85 7.26 2dviA1 GLY 183 H 0.15 0.46 -0.20 -0.55 8.43 8.29 2dviA1 GLY 183 HA2 0.05 0.11 0.33 -0.51 4.01 3.99 2dviA1 GLY 183 HA3 0.05 0.14 0.66 -0.51 4.01 4.34 2dviA1 SER 184 H 0.12 0.20 -0.29 -0.55 8.46 7.94 2dviA1 SER 184 HA 0.09 0.13 0.53 -0.75 4.49 4.49 2dviA1 SER 184 HB2 0.06 -0.09 0.13 -0.04 3.95 4.01 2dviA1 SER 184 HB3 0.04 0.28 -0.23 -0.04 3.93 3.98 2dviA1 PHE 185 H 0.19 0.19 0.15 -0.55 8.34 8.32 2dviA1 PHE 185 HA -0.02 0.11 0.37 -0.75 4.62 4.33 2dviA1 PHE 185 HB2 -0.03 0.17 0.18 -0.04 3.15 3.43 2dviA1 PHE 185 HB3 -0.04 -0.04 0.15 -0.04 3.06 3.08 2dviA1 PHE 185 HD2 -0.09 -0.05 -0.12 -0.04 7.28 6.99 2dviA1 PHE 185 HE2 -0.50 0.05 -0.15 -0.04 7.38 6.74 2dviA1 PHE 185 HZ -1.77 0.08 -0.14 -0.04 7.32 5.46 2dviA1 LEU 186 H 0.06 0.09 -0.14 -0.55 8.37 7.83 2dviA1 LEU 186 HA -0.41 0.13 0.35 -0.75 4.35 3.67 2dviA1 LEU 186 HB2 0.06 -0.00 0.03 -0.04 1.64 1.69 2dviA1 LEU 186 HB3 -0.02 -0.01 -0.01 -0.04 1.64 1.56 2dviA1 LEU 186 HG -0.08 0.03 -0.18 -0.04 1.64 1.37 2dviA1 LEU 186 HD13 -0.00 0.01 -0.03 -0.04 0.93 0.87 2dviA1 LEU 186 HD23 -0.00 0.01 -0.05 -0.04 0.89 0.80 2dviA1 GLU 187 H -0.07 0.07 -0.35 -0.55 8.60 7.70 2dviA1 GLU 187 HA -0.13 0.10 0.43 -0.75 4.29 3.94 2dviA1 GLU 187 HB2 0.03 -0.08 -0.01 -0.04 2.09 1.98 2dviA1 GLU 187 HB3 0.05 0.08 -0.05 -0.04 1.99 2.03 2dviA1 GLU 187 HG2 -0.01 -0.12 -0.04 -0.04 2.34 2.13 2dviA1 GLU 187 HG3 0.03 0.19 0.03 -0.04 2.34 2.54 2dviA1 THR 188 H -0.17 0.44 -0.24 -0.55 8.28 7.75 2dviA1 THR 188 HA -0.73 0.04 0.39 -0.75 4.39 3.34 2dviA1 THR 188 HB -0.20 0.15 0.14 -0.04 4.32 4.36 2dviA1 THR 188 HG23 0.10 -0.01 -0.17 -0.04 1.22 1.10 2dviA1 VAL 189 H -0.58 0.53 -0.10 -0.55 8.24 7.54 2dviA1 VAL 189 HA -0.59 0.01 0.31 -0.75 4.13 3.11 2dviA1 VAL 189 HB -0.73 0.03 0.10 -0.04 2.12 1.48 2dviA1 VAL 189 HG13 -0.39 -0.01 -0.15 -0.04 0.97 0.38 2dviA1 VAL 189 HG23 -1.19 0.00 -0.03 -0.04 0.95 -0.31 2dviA1 LYS 190 H -0.35 0.42 -0.30 -0.55 8.42 7.64 2dviA1 LYS 190 HA -0.23 0.06 0.38 -0.75 4.32 3.77 2dviA1 LYS 190 HB2 -0.19 0.03 0.16 -0.04 1.87 1.83 2dviA1 LYS 190 HB3 -0.14 -0.03 -0.02 -0.04 1.79 1.56 2dviA1 LYS 190 HG2 -0.14 -0.01 0.01 -0.04 1.46 1.28 2dviA1 LYS 190 HG3 -0.17 0.23 0.06 -0.04 1.46 1.54 2dviA1 LYS 190 HD2 -0.09 -0.05 -0.07 -0.04 1.69 1.45 2dviA1 LYS 190 HD3 -0.08 -0.00 -0.02 -0.04 1.68 1.53 2dviA1 LYS 190 HE2 -0.08 0.04 -0.02 -0.04 2.99 2.88 2dviA1 LYS 190 HE3 -0.07 -0.07 -0.08 -0.04 2.99 2.73 2dviA1 ASN 191 H -0.41 0.50 -0.15 -0.55 8.53 7.93 2dviA1 ASN 191 HA -0.15 0.08 0.51 -0.75 4.76 4.44 2dviA1 ASN 191 HB2 -0.72 0.10 0.12 -0.04 2.88 2.35 2dviA1 ASN 191 HB3 0.04 -0.07 -0.02 -0.04 2.79 2.70 2dviA1 ASN 191 HD21 0.01 -0.08 0.02 -0.04 7.03 6.94 2dviA1 ASN 191 HD22 -0.28 0.65 0.16 -0.04 7.74 8.24 2dviA1 ALA 192 H -0.74 0.62 -0.12 -0.55 8.40 7.62 2dviA1 ALA 192 HA -2.65 -0.05 0.32 -0.75 4.34 1.21 2dviA1 ALA 192 HB3 -1.14 0.02 0.00 -0.04 1.41 0.25 2dviA1 ARG 193 H -0.41 0.33 -0.61 -0.55 8.46 7.22 2dviA1 ARG 193 HA -0.21 0.07 0.42 -0.75 4.34 3.86 2dviA1 ARG 193 HB2 -0.17 0.18 0.04 -0.04 1.90 1.91 2dviA1 ARG 193 HB3 -0.12 -0.07 0.03 -0.04 1.80 1.60 2dviA1 ARG 193 HG2 -0.22 -0.10 -0.19 -0.04 1.67 1.12 2dviA1 ARG 193 HG3 -0.29 0.24 -0.03 -0.04 1.67 1.55 2dviA1 ARG 193 HD2 -0.13 -0.07 -0.00 -0.04 3.22 2.98 2dviA1 ARG 193 HD3 -0.17 0.03 -0.10 -0.04 3.22 2.94 2dviA1 ARG 194 H -0.14 0.58 -0.38 -0.55 8.46 7.96 2dviA1 ARG 194 HA 0.05 0.17 0.82 -0.75 4.34 4.63 2dviA1 ARG 194 HB2 0.09 0.08 0.07 -0.04 1.90 2.10 2dviA1 ARG 194 HB3 0.10 -0.09 0.12 -0.04 1.80 1.89 2dviA1 ARG 194 HG2 0.01 0.02 -0.12 -0.04 1.67 1.54 2dviA1 ARG 194 HG3 -0.03 0.04 -0.09 -0.04 1.67 1.55 2dviA1 ARG 194 HD2 0.04 -0.05 -0.00 -0.04 3.22 3.17 2dviA1 ARG 194 HD3 0.01 -0.02 -0.03 -0.04 3.22 3.13 2dviA1 TRP 195 H 0.15 0.44 -0.25 -0.55 7.97 7.75 2dviA1 TRP 195 HA 0.15 -0.03 0.46 -0.75 4.62 4.45 2dviA1 TRP 195 HB2 0.12 0.17 0.08 -0.04 3.23 3.55 2dviA1 TRP 195 HB3 0.20 -0.04 0.02 -0.04 3.23 3.36 2dviA1 TRP 195 HD1 0.20 0.03 -0.18 -0.04 7.22 7.22 2dviA1 TRP 195 HE1 0.41 -0.02 -0.18 -0.04 10.20 10.37 2dviA1 TRP 195 HE3 0.20 0.05 -0.03 -0.04 7.59 7.77 2dviA1 TRP 195 HZ2 0.49 -0.03 -0.08 -0.04 7.44 7.78 2dviA1 TRP 195 HZ3 0.42 -0.01 -0.07 -0.04 7.13 7.43 2dviA1 TRP 195 HH2 0.35 -0.05 -0.09 -0.04 7.19 7.36 2dviA1 THR 196 H 0.29 0.06 0.22 -0.55 8.28 8.30 2dviA1 THR 196 HA 0.16 0.30 0.81 -0.75 4.39 4.90 2dviA1 THR 196 HB 0.10 -0.00 0.11 -0.04 4.32 4.50 2dviA1 THR 196 HG23 0.14 0.07 -0.21 -0.04 1.22 1.18 2dviA1 ARG 197 H 0.10 0.23 0.11 -0.55 8.46 8.35 2dviA1 ARG 197 HA 0.10 0.12 0.48 -0.75 4.34 4.29 2dviA1 ARG 197 HB2 0.06 0.00 0.19 -0.04 1.90 2.11 2dviA1 ARG 197 HB3 0.06 0.04 0.13 -0.04 1.80 1.98 2dviA1 ARG 197 HG2 0.07 -0.05 -0.01 -0.04 1.67 1.63 2dviA1 ARG 197 HG3 0.06 0.05 -0.20 -0.04 1.67 1.54 2dviA1 ARG 197 HD2 0.04 0.03 -0.01 -0.04 3.22 3.24 2dviA1 ARG 197 HD3 0.04 -0.00 0.03 -0.04 3.22 3.25 2dviA1 ARG 198 H 0.12 -0.03 -0.67 -0.55 8.46 7.33 2dviA1 ARG 198 HA 0.07 0.14 0.44 -0.75 4.34 4.25 2dviA1 ARG 198 HB2 0.06 -0.05 -0.05 -0.04 1.90 1.82 2dviA1 ARG 198 HB3 0.03 0.28 0.11 -0.04 1.80 2.18 2dviA1 ARG 198 HG2 0.05 0.15 -0.35 -0.04 1.67 1.48 2dviA1 ARG 198 HG3 0.06 -0.16 -0.38 -0.04 1.67 1.14 2dviA1 ARG 198 HD2 0.04 -0.05 -0.04 -0.04 3.22 3.12 2dviA1 ARG 198 HD3 0.03 0.12 0.01 -0.04 3.22 3.34 2dviA1 THR 199 H 0.18 0.31 -0.18 -0.55 8.28 8.04 2dviA1 THR 199 HA 0.02 0.15 0.52 -0.75 4.39 4.33 2dviA1 THR 199 HB 0.19 0.08 0.15 -0.04 4.32 4.70 2dviA1 THR 199 HG23 -0.20 0.01 -0.21 -0.04 1.22 0.77 2dviA1 VAL 200 H -0.09 0.72 0.37 -0.55 8.24 8.69 2dviA1 VAL 200 HA -0.26 0.20 1.07 -0.75 4.13 4.39 2dviA1 VAL 200 HB -0.12 -0.03 -0.01 -0.04 2.12 1.92 2dviA1 VAL 200 HG13 -0.18 -0.03 -0.21 -0.04 0.97 0.51 2dviA1 VAL 200 HG23 -0.12 0.03 -0.20 -0.04 0.95 0.63 2dviA1 ILE 201 H -0.38 0.69 0.36 -0.55 8.25 8.37 2dviA1 ILE 201 HA -0.35 0.25 1.05 -0.75 4.18 4.38 2dviA1 ILE 201 HB -0.51 -0.09 0.18 -0.04 1.89 1.44 2dviA1 ILE 201 HG12 -0.33 0.08 -0.13 -0.04 1.49 1.07 2dviA1 ILE 201 HG13 -0.52 -0.06 -0.33 -0.04 1.21 0.26 2dviA1 ILE 201 HG23 -0.98 -0.01 -0.18 -0.04 0.93 -0.28 2dviA1 ILE 201 HD13 -0.50 0.00 -0.11 -0.04 0.88 0.23 2dviA1 ASP 202 H -0.19 0.80 0.22 -0.55 8.40 8.68 2dviA1 ASP 202 HA -0.13 0.07 0.84 -0.75 4.63 4.65 2dviA1 ASP 202 HB2 -0.09 0.05 -0.02 -0.04 2.71 2.61 2dviA1 ASP 202 HB3 -0.02 -0.01 0.19 -0.04 2.70 2.81 2dviA1 VAL 203 H -0.17 0.34 0.03 -0.55 8.24 7.88 2dviA1 VAL 203 HA 0.24 0.11 0.27 -0.75 4.13 3.99 2dviA1 VAL 203 HB -0.14 -0.04 0.04 -0.04 2.12 1.93 2dviA1 VAL 203 HG13 0.31 0.02 -0.07 -0.04 0.97 1.18 2dviA1 VAL 203 HG23 -0.21 0.02 -0.00 -0.04 0.95 0.72 2dviA1 ALA 204 H -0.03 0.07 -0.21 -0.55 8.40 7.69 2dviA1 ALA 204 HA 0.24 0.15 0.44 -0.75 4.34 4.42 2dviA1 ALA 204 HB3 0.02 -0.01 0.03 -0.04 1.41 1.41 2dviA1 LYS 205 H 0.05 0.08 -0.30 -0.55 8.42 7.70 2dviA1 LYS 205 HA 0.06 0.17 0.67 -0.75 4.32 4.46 2dviA1 LYS 205 HB2 0.02 -0.03 0.05 -0.04 1.87 1.87 2dviA1 LYS 205 HB3 0.03 0.02 0.03 -0.04 1.79 1.84 2dviA1 LYS 205 HG2 0.02 0.05 -0.03 -0.04 1.46 1.46 2dviA1 LYS 205 HG3 0.01 -0.09 -0.10 -0.04 1.46 1.24 2dviA1 LYS 205 HD2 -0.02 -0.04 -0.04 -0.04 1.69 1.55 2dviA1 LYS 205 HD3 -0.00 0.03 -0.03 -0.04 1.68 1.63 2dviA1 LYS 205 HE2 -0.03 -0.00 -0.04 -0.04 2.99 2.88 2dviA1 LYS 205 HE3 -0.01 0.02 -0.03 -0.04 2.99 2.93 2dviA1 GLY 206 H 0.18 0.22 -0.39 -0.55 8.43 7.89 2dviA1 GLY 206 HA2 0.21 0.04 0.26 -0.51 4.01 4.01 2dviA1 GLY 206 HA3 0.04 0.04 0.37 -0.51 4.01 3.96 2dviA1 GLU 207 H 0.23 0.29 -0.10 -0.55 8.60 8.47 2dviA1 GLU 207 HA 0.17 0.21 0.87 -0.75 4.29 4.79 2dviA1 GLU 207 HB2 0.06 0.18 -0.27 -0.04 2.09 2.01 2dviA1 GLU 207 HB3 0.05 -0.12 -0.13 -0.04 1.99 1.75 2dviA1 GLU 207 HG2 0.03 -0.04 -0.42 -0.04 2.34 1.86 2dviA1 GLU 207 HG3 0.05 0.05 -0.02 -0.04 2.34 2.38 2dviA1 VAL 208 H 0.12 0.29 0.14 -0.55 8.24 8.24 2dviA1 VAL 208 HA -0.04 0.27 1.08 -0.75 4.13 4.68 2dviA1 VAL 208 HB 0.18 -0.01 0.13 -0.04 2.12 2.38 2dviA1 VAL 208 HG13 0.10 0.00 -0.14 -0.04 0.97 0.90 2dviA1 VAL 208 HG23 0.23 -0.01 -0.16 -0.04 0.95 0.97 2dviA1 ARG 209 H -0.05 0.51 0.29 -0.55 8.46 8.65 2dviA1 ARG 209 HA 0.01 0.20 0.91 -0.75 4.34 4.71 2dviA1 ARG 209 HB2 -0.03 0.01 0.15 -0.04 1.90 1.99 2dviA1 ARG 209 HB3 -0.01 0.02 -0.05 -0.04 1.80 1.72 2dviA1 ARG 209 HG2 -0.06 -0.06 -0.14 -0.04 1.67 1.38 2dviA1 ARG 209 HG3 -0.08 -0.01 -0.14 -0.04 1.67 1.39 2dviA1 ARG 209 HD2 -0.07 0.09 -0.05 -0.04 3.22 3.15 2dviA1 ARG 209 HD3 -0.05 -0.01 -0.07 -0.04 3.22 3.06 2dviA1 LYS 210 H -0.01 0.14 0.18 -0.55 8.42 8.18 2dviA1 LYS 210 HA 0.00 0.19 0.78 -0.75 4.32 4.54 2dviA1 LYS 210 HB2 0.02 -0.04 0.10 -0.04 1.87 1.91 2dviA1 LYS 210 HB3 0.00 -0.01 0.06 -0.04 1.79 1.81 2dviA1 LYS 210 HG2 0.03 -0.01 -0.01 -0.04 1.46 1.43 2dviA1 LYS 210 HG3 0.03 -0.02 -0.01 -0.04 1.46 1.41 2dviA1 LYS 210 HD2 0.01 -0.05 -0.08 -0.04 1.69 1.52 2dviA1 LYS 210 HD3 0.01 0.21 0.03 -0.04 1.68 1.89 2dviA1 LYS 210 HE2 0.04 -0.07 -0.03 -0.04 2.99 2.88 2dviA1 LYS 210 HE3 0.03 -0.03 -0.03 -0.04 2.99 2.92 2dviA1 GLY 211 H -0.01 0.72 0.27 -0.55 8.43 8.86 2dviA1 GLY 211 HA2 -0.05 0.15 0.76 -0.51 4.01 4.35 2dviA1 GLY 211 HA3 -0.07 -0.02 0.30 -0.51 4.01 3.71 2dviA1 GLU 212 H -0.04 0.12 0.13 -0.55 8.60 8.27 2dviA1 GLU 212 HA 0.01 0.16 0.67 -0.75 4.29 4.37 2dviA1 GLU 212 HB2 -0.00 -0.02 0.09 -0.04 2.09 2.11 2dviA1 GLU 212 HB3 0.01 0.02 0.09 -0.04 1.99 2.07 2dviA1 GLU 212 HG2 -0.00 0.03 0.01 -0.04 2.34 2.34 2dviA1 GLU 212 HG3 -0.02 -0.04 -0.03 -0.04 2.34 2.20 2dviA1 GLU 213 H 0.03 0.17 -0.09 -0.55 8.60 8.16 2dviA1 GLU 213 HA 0.07 0.29 0.56 -0.75 4.29 4.46 2dviA1 GLU 213 HB2 0.08 0.02 0.10 -0.04 2.09 2.25 2dviA1 GLU 213 HB3 0.06 0.11 -0.13 -0.04 1.99 1.99 2dviA1 GLU 213 HG2 0.12 -0.17 -0.20 -0.04 2.34 2.05 2dviA1 GLU 213 HG3 0.16 0.10 -0.46 -0.04 2.34 2.10 2dviA1 PHE 214 H 0.18 0.20 0.11 -0.55 8.34 8.28 2dviA1 PHE 214 HA -0.07 0.27 0.32 -0.75 4.62 4.39 2dviA1 PHE 214 HB2 -0.05 -0.01 0.10 -0.04 3.15 3.16 2dviA1 PHE 214 HB3 -0.09 0.01 0.11 -0.04 3.06 3.04 2dviA1 PHE 214 HD2 -0.20 0.04 -0.03 -0.04 7.28 7.05 2dviA1 PHE 214 HE2 -0.72 -0.05 -0.09 -0.04 7.38 6.48 2dviA1 PHE 214 HZ -1.16 -0.02 -0.10 -0.04 7.32 5.99 2dviA1 PHE 215 H -0.46 0.57 0.37 -0.55 8.34 8.26 2dviA1 PHE 215 HA -0.32 0.04 0.80 -0.75 4.62 4.39 2dviA1 PHE 215 HB2 -0.17 0.18 -0.29 -0.04 3.15 2.84 2dviA1 PHE 215 HB3 -0.24 -0.07 0.08 -0.04 3.06 2.79 2dviA1 PHE 215 HD2 -0.16 -0.03 -0.34 -0.04 7.28 6.71 2dviA1 PHE 215 HE2 -0.10 0.03 -0.18 -0.04 7.38 7.09 2dviA1 PHE 215 HZ -0.08 0.11 -0.36 -0.04 7.32 6.95 2dviA1 VAL 216 H -0.53 0.04 0.05 -0.55 8.24 7.25 2dviA1 VAL 216 HA -0.32 0.31 1.07 -0.75 4.13 4.44 2dviA1 VAL 216 HB -0.32 -0.23 0.17 -0.04 2.12 1.69 2dviA1 VAL 216 HG13 -0.27 0.03 -0.08 -0.04 0.97 0.61 2dviA1 VAL 216 HG23 -0.56 0.03 -0.14 -0.04 0.95 0.24 2dviA1 VAL 217 H -0.03 0.37 0.09 -0.55 8.24 8.13 2dviA1 VAL 217 HA 0.17 0.17 0.43 -0.75 4.13 4.14 2dviA1 VAL 217 HB -0.07 -0.19 0.12 -0.04 2.12 1.94 2dviA1 VAL 217 HG13 -0.01 0.10 -0.06 -0.04 0.97 0.96 2dviA1 VAL 217 HG23 -0.03 0.04 -0.08 -0.04 0.95 0.84 2dviA1 ASP 218 H -0.04 0.49 0.30 -0.55 8.40 8.60 2dviA1 ASP 218 HA -0.20 0.09 0.53 -0.75 4.63 4.31 2dviA1 ASP 218 HB2 -0.03 0.12 0.18 -0.04 2.71 2.94 2dviA1 ASP 218 HB3 -0.03 0.01 0.19 -0.04 2.70 2.84 2dviA1 PRO 219 HA -0.32 0.06 0.37 -0.51 4.44 4.04 2dviA1 PRO 219 HB2 -1.98 0.03 -0.04 -0.04 2.28 0.24 2dviA1 PRO 219 HB3 -1.26 0.10 0.04 -0.04 2.02 0.85 2dviA1 PRO 219 HG2 -1.75 0.08 0.03 -0.04 2.03 0.34 2dviA1 PRO 219 HG3 -0.74 0.02 0.03 -0.04 2.03 1.31 2dviA1 PRO 219 HD2 -0.42 0.03 0.19 -0.04 3.68 3.44 2dviA1 PRO 219 HD3 -0.42 0.22 0.28 -0.04 3.65 3.70 2dviA1 VAL 220 H -0.20 0.02 -0.32 -0.55 8.24 7.19 2dviA1 VAL 220 HA -0.09 0.19 0.52 -0.75 4.13 3.99 2dviA1 VAL 220 HB 0.15 -0.07 -0.02 -0.04 2.12 2.13 2dviA1 VAL 220 HG13 -0.09 0.00 -0.17 -0.04 0.97 0.67 2dviA1 VAL 220 HG23 0.12 -0.01 -0.19 -0.04 0.95 0.82 2dviA1 ASP 221 H -0.07 0.14 -0.42 -0.55 8.40 7.50 2dviA1 ASP 221 HA -0.05 0.13 0.59 -0.75 4.63 4.54 2dviA1 ASP 221 HB2 -0.05 0.14 -0.28 -0.04 2.71 2.48 2dviA1 ASP 221 HB3 -0.01 -0.09 0.08 -0.04 2.70 2.64 2dviA1 GLU 222 H -0.04 0.21 0.03 -0.55 8.60 8.26 2dviA1 GLU 222 HA -0.01 0.10 0.36 -0.75 4.29 3.99 2dviA1 GLU 222 HB2 -0.04 0.04 0.01 -0.04 2.09 2.05 2dviA1 GLU 222 HB3 -0.04 0.05 0.06 -0.04 1.99 2.02 2dviA1 GLU 222 HG2 -0.03 -0.02 0.08 -0.04 2.34 2.33 2dviA1 GLU 222 HG3 -0.02 -0.03 -0.03 -0.04 2.34 2.21 2dviA1 LYS 223 H 0.00 0.03 -0.40 -0.55 8.42 7.50 2dviA1 LYS 223 HA 0.07 0.18 0.61 -0.75 4.32 4.42 2dviA1 LYS 223 HB2 0.01 0.01 -0.02 -0.04 1.87 1.83 2dviA1 LYS 223 HB3 0.03 0.03 0.08 -0.04 1.79 1.89 2dviA1 LYS 223 HG2 -0.01 -0.08 -0.04 -0.04 1.46 1.29 2dviA1 LYS 223 HG3 -0.00 0.04 -0.01 -0.04 1.46 1.44 2dviA1 LYS 223 HD2 -0.02 0.02 -0.05 -0.04 1.69 1.60 2dviA1 LYS 223 HD3 -0.00 0.03 -0.02 -0.04 1.68 1.65 2dviA1 LYS 223 HE2 -0.01 0.10 -0.72 -0.04 2.99 2.32 2dviA1 LYS 223 HE3 -0.03 -0.07 -0.24 -0.04 2.99 2.61 2dviA1 ARG 224 H 0.04 0.42 -0.20 -0.55 8.46 8.16 2dviA1 ARG 224 HA -0.02 0.11 0.65 -0.75 4.34 4.33 2dviA1 ARG 224 HB2 0.01 0.00 0.12 -0.04 1.90 1.99 2dviA1 ARG 224 HB3 -0.01 -0.10 0.10 -0.04 1.80 1.75 2dviA1 ARG 224 HG2 -0.01 0.05 -0.01 -0.04 1.67 1.65 2dviA1 ARG 224 HG3 0.03 -0.04 -0.03 -0.04 1.67 1.59 2dviA1 ARG 224 HD2 0.03 -0.09 -0.16 -0.04 3.22 2.96 2dviA1 ARG 224 HD3 -0.08 0.05 -0.46 -0.04 3.22 2.69 2dviA1 ASN 225 H -0.24 0.23 0.13 -0.55 8.53 8.11 2dviA1 ASN 225 HA -0.93 0.15 0.59 -0.75 4.76 3.82 2dviA1 ASN 225 HB2 -1.86 0.12 0.02 -0.04 2.88 1.12 2dviA1 ASN 225 HB3 -0.53 0.01 0.20 -0.04 2.79 2.43 2dviA1 ASN 225 HD21 -0.31 0.39 -0.07 -0.04 7.03 7.00 2dviA1 ASN 225 HD22 -0.40 0.03 -0.03 -0.04 7.74 7.30 2dviA1 VAL 226 H -0.29 0.78 0.22 -0.55 8.24 8.39 2dviA1 VAL 226 HA -0.11 0.01 0.34 -0.75 4.13 3.62 2dviA1 VAL 226 HB -0.24 0.10 0.08 -0.04 2.12 2.01 2dviA1 VAL 226 HG13 -0.16 -0.03 -0.07 -0.04 0.97 0.67 2dviA1 VAL 226 HG23 -0.17 0.03 -0.01 -0.04 0.95 0.77 2dviA1 ALA 227 H -0.33 0.02 -0.35 -0.55 8.40 7.20 2dviA1 ALA 227 HA -0.17 0.15 0.79 -0.75 4.34 4.36 2dviA1 ALA 227 HB3 -0.12 0.02 0.01 -0.04 1.41 1.28 2dviA1 ALA 228 H -0.20 0.40 -0.36 -0.55 8.40 7.69 2dviA1 ALA 228 HA -0.17 0.11 0.37 -0.75 4.34 3.90 2dviA1 ALA 228 HB3 -0.14 -0.00 0.12 -0.04 1.41 1.34 2dviA1 ASN 229 H -0.13 0.05 -0.21 -0.55 8.53 7.69 2dviA1 ASN 229 HA -0.06 0.24 0.79 -0.75 4.76 4.98 2dviA1 ASN 229 HB2 -0.19 -0.11 0.03 -0.04 2.88 2.57 2dviA1 ASN 229 HB3 -0.19 0.10 0.08 -0.04 2.79 2.73 2dviA1 ASN 229 HD21 -0.80 -0.11 -0.03 -0.04 7.03 6.05 2dviA1 ASN 229 HD22 -0.39 0.42 0.02 -0.04 7.74 7.75 2dviA1 LEU 230 H -0.12 0.35 -0.49 -0.55 8.37 7.57 2dviA1 LEU 230 HA -0.17 0.19 0.35 -0.75 4.35 3.97 2dviA1 LEU 230 HB2 -0.36 -0.05 -0.05 -0.04 1.64 1.14 2dviA1 LEU 230 HB3 -0.16 0.15 0.11 -0.04 1.64 1.70 2dviA1 LEU 230 HG -0.28 0.04 -0.29 -0.04 1.64 1.07 2dviA1 LEU 230 HD13 -0.57 0.03 -0.19 -0.04 0.93 0.16 2dviA1 LEU 230 HD23 -0.65 -0.03 -0.10 -0.04 0.89 0.06 2dviA1 SER 231 H -0.05 0.48 0.25 -0.55 8.46 8.59 2dviA1 SER 231 HA -0.01 0.13 0.50 -0.75 4.49 4.36 2dviA1 SER 231 HB2 0.02 -0.09 0.16 -0.04 3.95 3.99 2dviA1 SER 231 HB3 0.02 0.14 0.16 -0.04 3.93 4.21 2dviA1 LEU 232 H 0.00 0.19 0.21 -0.55 8.37 8.24 2dviA1 LEU 232 HA -0.02 0.11 0.43 -0.75 4.35 4.12 2dviA1 LEU 232 HB2 0.02 0.07 0.20 -0.04 1.64 1.88 2dviA1 LEU 232 HB3 0.01 -0.02 0.17 -0.04 1.64 1.76 2dviA1 LEU 232 HG 0.02 -0.00 -0.15 -0.04 1.64 1.46 2dviA1 LEU 232 HD13 0.03 0.00 0.09 -0.04 0.93 1.01 2dviA1 LEU 232 HD23 0.02 0.02 0.03 -0.04 0.89 0.91 2dviA1 ASP 233 H 0.01 0.11 -0.11 -0.55 8.40 7.87 2dviA1 ASP 233 HA 0.02 0.11 0.47 -0.75 4.63 4.48 2dviA1 ASP 233 HB2 0.01 0.02 0.07 -0.04 2.71 2.77 2dviA1 ASP 233 HB3 0.01 0.08 0.04 -0.04 2.70 2.79 2dviA1 ASN 234 H 0.02 0.14 -0.27 -0.55 8.53 7.87 2dviA1 ASN 234 HA 0.10 0.12 0.60 -0.75 4.76 4.82 2dviA1 ASN 234 HB2 0.01 0.04 0.22 -0.04 2.88 3.11 2dviA1 ASN 234 HB3 0.12 -0.04 0.07 -0.04 2.79 2.90 2dviA1 ASN 234 HD21 0.03 0.14 0.07 -0.04 7.03 7.24 2dviA1 ASN 234 HD22 0.02 0.59 0.06 -0.04 7.74 8.37 2dviA1 LEU 235 H -0.00 0.48 -0.16 -0.55 8.37 8.14 2dviA1 LEU 235 HA 0.17 0.02 0.39 -0.75 4.35 4.17 2dviA1 LEU 235 HB2 -0.28 0.02 -0.00 -0.04 1.64 1.34 2dviA1 LEU 235 HB3 -0.07 0.11 0.15 -0.04 1.64 1.79 2dviA1 LEU 235 HG 0.01 0.02 -0.38 -0.04 1.64 1.25 2dviA1 LEU 235 HD13 -0.35 -0.02 -0.04 -0.04 0.93 0.48 2dviA1 LEU 235 HD23 -0.28 0.01 -0.11 -0.04 0.89 0.47 2dviA1 ALA 236 H 0.06 0.49 -0.20 -0.55 8.40 8.20 2dviA1 ALA 236 HA 0.10 0.04 0.38 -0.75 4.34 4.11 2dviA1 ALA 236 HB3 0.05 0.03 0.09 -0.04 1.41 1.53 2dviA1 ARG 237 H 0.12 0.40 -0.24 -0.55 8.46 8.19 2dviA1 ARG 237 HA 0.10 0.03 0.44 -0.75 4.34 4.16 2dviA1 ARG 237 HB2 0.13 0.06 0.17 -0.04 1.90 2.22 2dviA1 ARG 237 HB3 0.09 0.00 0.03 -0.04 1.80 1.88 2dviA1 ARG 237 HG2 0.03 -0.06 0.04 -0.04 1.67 1.64 2dviA1 ARG 237 HG3 0.05 0.44 0.18 -0.04 1.67 2.30 2dviA1 ARG 237 HD2 0.05 -0.01 -0.03 -0.04 3.22 3.18 2dviA1 ARG 237 HD3 0.03 0.02 0.01 -0.04 3.22 3.23 2dviA1 PHE 238 H 0.33 0.51 -0.25 -0.55 8.34 8.38 2dviA1 PHE 238 HA 0.03 0.03 0.39 -0.75 4.62 4.31 2dviA1 PHE 238 HB2 0.20 0.05 0.09 -0.04 3.15 3.45 2dviA1 PHE 238 HB3 0.27 0.14 0.15 -0.04 3.06 3.58 2dviA1 PHE 238 HD2 0.07 0.05 -0.08 -0.04 7.28 7.28 2dviA1 PHE 238 HE2 -0.32 -0.01 -0.10 -0.04 7.38 6.90 2dviA1 PHE 238 HZ -0.25 -0.05 -0.14 -0.04 7.32 6.83 2dviA1 VAL 239 H 0.22 0.59 -0.08 -0.55 8.24 8.42 2dviA1 VAL 239 HA -0.29 0.01 0.27 -0.75 4.13 3.37 2dviA1 VAL 239 HB 0.11 0.03 0.13 -0.04 2.12 2.34 2dviA1 VAL 239 HG13 0.01 0.01 -0.07 -0.04 0.97 0.88 2dviA1 VAL 239 HG23 0.24 0.08 0.01 -0.04 0.95 1.24 2dviA1 HIS 240 H 0.13 0.57 -0.27 -0.55 8.41 8.29 2dviA1 HIS 240 HA -0.03 0.02 0.44 -0.75 4.63 4.30 2dviA1 HIS 240 HB2 0.01 0.03 0.11 -0.04 3.26 3.37 2dviA1 HIS 240 HB3 0.02 0.10 0.12 -0.04 3.20 3.39 2dviA1 HIS 240 HD2 0.01 -0.01 0.03 -0.04 6.97 6.95 2dviA1 HIS 240 HE1 0.02 -0.01 -0.03 -0.04 7.75 7.69 2dviA1 LEU 241 H 0.00 0.51 -0.26 -0.55 8.37 8.08 2dviA1 LEU 241 HA 0.06 -0.00 0.49 -0.75 4.35 4.15 2dviA1 LEU 241 HB2 -0.04 0.13 0.25 -0.04 1.64 1.94 2dviA1 LEU 241 HB3 -0.01 -0.08 -0.05 -0.04 1.64 1.46 2dviA1 LEU 241 HG 0.07 0.05 0.04 -0.04 1.64 1.75 2dviA1 LEU 241 HD13 -0.14 -0.01 -0.06 -0.04 0.93 0.68 2dviA1 LEU 241 HD23 0.12 -0.02 0.02 -0.04 0.89 0.98 2dviA1 CYS 242 H -0.31 0.64 -0.14 -0.55 8.50 8.15 2dviA1 CYS 242 HA -0.22 -0.05 0.39 -0.75 4.58 3.96 2dviA1 CYS 242 HB2 -0.48 0.17 0.08 -0.04 2.97 2.70 2dviA1 CYS 242 HB3 -0.44 0.14 0.01 -0.04 2.97 2.64 2dviA1 ARG 243 H -0.20 0.46 -0.22 -0.55 8.46 7.94 2dviA1 ARG 243 HA -0.15 0.03 0.44 -0.75 4.34 3.91 2dviA1 ARG 243 HB2 -0.22 0.13 0.14 -0.04 1.90 1.90 2dviA1 ARG 243 HB3 -0.12 -0.07 0.03 -0.04 1.80 1.60 2dviA1 ARG 243 HG2 -0.11 -0.06 0.07 -0.04 1.67 1.54 2dviA1 ARG 243 HG3 -0.14 0.19 0.13 -0.04 1.67 1.80 2dviA1 ARG 243 HD2 -0.03 -0.02 -0.01 -0.04 3.22 3.12 2dviA1 ARG 243 HD3 -0.03 -0.08 0.02 -0.04 3.22 3.09 2dviA1 GLU 244 H -0.16 0.40 -0.27 -0.55 8.60 8.02 2dviA1 GLU 244 HA -0.06 0.03 0.47 -0.75 4.29 3.97 2dviA1 GLU 244 HB2 0.15 0.12 0.16 -0.04 2.09 2.48 2dviA1 GLU 244 HB3 0.22 -0.06 -0.00 -0.04 1.99 2.11 2dviA1 GLU 244 HG2 -0.18 -0.08 0.02 -0.04 2.34 2.07 2dviA1 GLU 244 HG3 -0.47 0.37 0.12 -0.04 2.34 2.32 2dviA1 PHE 245 H -0.07 0.66 -0.07 -0.55 8.34 8.31 2dviA1 PHE 245 HA -0.87 0.01 0.24 -0.75 4.62 3.25 2dviA1 PHE 245 HB2 -0.68 0.06 0.07 -0.04 3.15 2.57 2dviA1 PHE 245 HB3 -0.37 0.08 0.06 -0.04 3.06 2.79 2dviA1 PHE 245 HD2 -0.87 0.03 -0.10 -0.04 7.28 6.30 2dviA1 PHE 245 HE2 0.13 0.06 -0.07 -0.04 7.38 7.47 2dviA1 PHE 245 HZ 0.18 -0.08 -0.14 -0.04 7.32 7.25 2dviA1 MET 246 H -0.12 0.47 -0.34 -0.55 8.47 7.92 2dviA1 MET 246 HA -0.24 -0.03 0.41 -0.75 4.52 3.91 2dviA1 MET 246 HB2 -0.13 0.12 0.11 -0.04 2.15 2.21 2dviA1 MET 246 HB3 -0.13 -0.06 -0.02 -0.04 2.03 1.78 2dviA1 MET 246 HG2 -0.11 0.12 -0.01 -0.04 2.63 2.58 2dviA1 MET 246 HG3 -0.15 0.00 -0.05 -0.04 2.56 2.32 2dviA1 MET 246 HE3 0.03 -0.04 -0.18 -0.04 2.10 1.88 2dviA1 GLU 247 H -0.13 0.35 -0.27 -0.55 8.60 8.00 2dviA1 GLU 247 HA -0.09 -0.03 0.46 -0.75 4.29 3.87 2dviA1 GLU 247 HB2 -0.07 0.01 0.15 -0.04 2.09 2.14 2dviA1 GLU 247 HB3 -0.07 0.10 0.24 -0.04 1.99 2.22 2dviA1 GLU 247 HG2 -0.03 -0.00 -0.18 -0.04 2.34 2.09 2dviA1 GLU 247 HG3 -0.04 -0.07 0.04 -0.04 2.34 2.23 2dviA1 ALA 248 H -0.13 0.68 -0.19 -0.55 8.40 8.22 2dviA1 ALA 248 HA -0.08 0.14 0.76 -0.75 4.34 4.40 2dviA1 ALA 248 HB3 0.04 -0.03 0.00 -0.04 1.41 1.38 2dviA1 PRO 249 HA -1.11 0.02 0.47 -0.51 4.44 3.31 2dviA1 PRO 249 HB2 -0.22 -0.07 0.20 -0.04 2.28 2.15 2dviA1 PRO 249 HB3 -0.55 -0.11 0.09 -0.04 2.02 1.41 2dviA1 PRO 249 HG2 -0.26 -0.06 0.09 -0.04 2.03 1.76 2dviA1 PRO 249 HG3 -0.57 0.19 0.15 -0.04 2.03 1.77 2dviA1 PRO 249 HD2 -0.17 -0.01 0.04 -0.04 3.68 3.51 2dviA1 PRO 249 HD3 -0.23 0.25 -0.64 -0.04 3.65 2.99 2dviA1 SER 250 H 0.18 0.20 0.33 -0.55 8.46 8.62 2dviA1 SER 250 HA 0.16 0.20 0.99 -0.75 4.49 5.09 2dviA1 SER 250 HB2 0.23 0.18 -0.01 -0.04 3.95 4.31 2dviA1 SER 250 HB3 0.56 0.04 0.11 -0.04 3.93 4.60 2dviA1 LEU 251 H 0.19 0.21 0.18 -0.55 8.37 8.40 2dviA1 LEU 251 HA 0.40 0.17 0.56 -0.75 4.35 4.72 2dviA1 LEU 251 HB2 0.11 0.01 0.09 -0.04 1.64 1.81 2dviA1 LEU 251 HB3 0.11 0.02 0.04 -0.04 1.64 1.77 2dviA1 LEU 251 HG 0.12 0.01 -0.02 -0.04 1.64 1.71 2dviA1 LEU 251 HD13 -0.01 0.02 -0.02 -0.04 0.93 0.88 2dviA1 LEU 251 HD23 0.02 0.01 -0.06 -0.04 0.89 0.82 2dviA1 GLY 252 H 0.21 0.05 -0.18 -0.55 8.43 7.96 2dviA1 GLY 252 HA2 0.07 0.11 0.41 -0.51 4.01 4.09 2dviA1 GLY 252 HA3 0.00 0.07 0.26 -0.51 4.01 3.83 2dviA1 PHE 253 H 0.54 0.17 -0.63 -0.55 8.34 7.86 2dviA1 PHE 253 HA -0.05 0.15 0.41 -0.75 4.62 4.37 2dviA1 PHE 253 HB2 0.32 0.10 0.01 -0.04 3.15 3.53 2dviA1 PHE 253 HB3 -0.00 0.00 0.01 -0.04 3.06 3.03 2dviA1 PHE 253 HD2 0.14 0.03 0.04 -0.04 7.28 7.44 2dviA1 PHE 253 HE2 0.08 0.11 0.04 -0.04 7.38 7.56 2dviA1 PHE 253 HZ 0.07 0.02 -0.20 -0.04 7.32 7.17 2dviA1 PHE 254 H 0.40 0.31 -0.43 -0.55 8.34 8.07 2dviA1 PHE 254 HA 0.07 0.23 0.78 -0.75 4.62 4.95 2dviA1 PHE 254 HB2 0.06 0.06 -0.00 -0.04 3.15 3.22 2dviA1 PHE 254 HB3 0.01 -0.02 0.04 -0.04 3.06 3.05 2dviA1 PHE 254 HD2 0.08 -0.00 -0.11 -0.04 7.28 7.21 2dviA1 PHE 254 HE2 -0.25 0.02 -0.08 -0.04 7.38 7.03 2dviA1 PHE 254 HZ -0.80 -0.08 -0.13 -0.04 7.32 6.27 2dviA1 LYS 255 H 0.12 0.15 -0.25 -0.55 8.42 7.89 2dviA1 LYS 255 HA 0.07 0.13 0.79 -0.75 4.32 4.56 2dviA1 LYS 255 HB2 0.04 -0.00 0.12 -0.04 1.87 1.99 2dviA1 LYS 255 HB3 0.03 0.10 -0.00 -0.04 1.79 1.87 2dviA1 LYS 255 HG2 0.06 0.01 -0.01 -0.04 1.46 1.47 2dviA1 LYS 255 HG3 0.10 0.03 -0.07 -0.04 1.46 1.48 2dviA1 LYS 255 HD2 0.04 -0.05 -0.04 -0.04 1.69 1.60 2dviA1 LYS 255 HD3 0.03 0.03 -0.02 -0.04 1.68 1.68 2dviA1 LYS 255 HE2 0.04 0.01 -0.05 -0.04 2.99 2.94 2dviA1 LYS 255 HE3 0.06 -0.04 -0.13 -0.04 2.99 2.84 2dviA1 PRO 256 HA -0.01 0.15 0.53 -0.51 4.44 4.59 2dviA1 PRO 256 HB2 0.01 0.02 0.07 -0.04 2.28 2.33 2dviA1 PRO 256 HB3 0.01 -0.02 0.08 -0.04 2.02 2.05 2dviA1 PRO 256 HG2 0.03 -0.03 0.08 -0.04 2.03 2.07 2dviA1 PRO 256 HG3 0.02 0.04 0.03 -0.04 2.03 2.08 2dviA1 PRO 256 HD2 0.03 0.03 0.22 -0.04 3.68 3.92 2dviA1 PRO 256 HD3 0.04 0.25 0.28 -0.04 3.65 4.19 2dviA1 LYS 257 H -0.03 0.17 0.15 -0.55 8.42 8.16 2dviA1 LYS 257 HA -0.03 0.12 0.22 -0.75 4.32 3.88 2dviA1 LYS 257 HB2 -0.03 -0.04 0.09 -0.04 1.87 1.85 2dviA1 LYS 257 HB3 -0.04 -0.03 0.08 -0.04 1.79 1.76 2dviA1 LYS 257 HG2 -0.05 0.15 0.18 -0.04 1.46 1.70 2dviA1 LYS 257 HG3 -0.06 -0.04 0.06 -0.04 1.46 1.38 2dviA1 LYS 257 HD2 -0.09 -0.10 0.01 -0.04 1.69 1.47 2dviA1 LYS 257 HD3 -0.07 0.04 -0.07 -0.04 1.68 1.54 2dviA1 LYS 257 HE2 -0.10 0.34 0.04 -0.04 2.99 3.23 2dviA1 LYS 257 HE3 -0.14 -0.12 0.01 -0.04 2.99 2.71 2dviA1 ILE 262 HA -0.01 -0.06 0.17 -0.75 4.18 3.52 2dviA1 ILE 262 HB -0.01 0.03 -0.01 -0.04 1.89 1.87 2dviA1 ILE 262 HG12 -0.02 0.04 -0.08 -0.04 1.49 1.39 2dviA1 ILE 262 HG13 -0.01 -0.02 0.02 -0.04 1.21 1.15 2dviA1 ILE 262 HG23 -0.00 -0.01 -0.21 -0.04 0.93 0.67 2dviA1 ILE 262 HD13 -0.01 0.01 -0.09 -0.04 0.88 0.74 2dviA1 GLU 263 H -0.02 0.08 0.08 -0.55 8.60 8.20 2dviA1 GLU 263 HA -0.01 0.20 0.51 -0.75 4.29 4.23 2dviA1 GLU 263 HB2 -0.03 0.04 0.20 -0.04 2.09 2.27 2dviA1 GLU 263 HB3 -0.03 -0.30 0.07 -0.04 1.99 1.69 2dviA1 GLU 263 HG2 -0.01 0.07 0.06 -0.04 2.34 2.41 2dviA1 GLU 263 HG3 -0.02 0.02 0.05 -0.04 2.34 2.35 2dviA1 PRO 264 HA -0.02 0.11 0.50 -0.51 4.44 4.51 2dviA1 PRO 264 HB2 0.03 0.05 0.05 -0.04 2.28 2.37 2dviA1 PRO 264 HB3 0.03 0.14 0.16 -0.04 2.02 2.31 2dviA1 PRO 264 HG2 -0.01 -0.04 0.05 -0.04 2.03 1.99 2dviA1 PRO 264 HG3 0.01 0.10 0.09 -0.04 2.03 2.18 2dviA1 PRO 264 HD2 -0.01 0.01 0.28 -0.04 3.68 3.92 2dviA1 PRO 264 HD3 0.00 0.32 0.27 -0.04 3.65 4.20 2dviA1 GLU 265 H -0.05 0.10 -0.23 -0.55 8.60 7.88 2dviA1 GLU 265 HA -0.13 0.15 0.55 -0.75 4.29 4.10 2dviA1 GLU 265 HB2 -0.04 0.05 0.05 -0.04 2.09 2.11 2dviA1 GLU 265 HB3 -0.04 -0.02 0.04 -0.04 1.99 1.93 2dviA1 GLU 265 HG2 -0.03 0.03 -0.03 -0.04 2.34 2.26 2dviA1 GLU 265 HG3 -0.06 0.00 -0.22 -0.04 2.34 2.02 2dviA1 ARG 266 H -0.07 0.12 -0.27 -0.55 8.46 7.69 2dviA1 ARG 266 HA -0.06 0.09 0.47 -0.75 4.34 4.09 2dviA1 ARG 266 HB2 -0.04 -0.05 0.11 -0.04 1.90 1.88 2dviA1 ARG 266 HB3 -0.05 0.15 0.11 -0.04 1.80 1.97 2dviA1 ARG 266 HG2 -0.04 -0.01 -0.14 -0.04 1.67 1.43 2dviA1 ARG 266 HG3 -0.03 0.00 0.03 -0.04 1.67 1.63 2dviA1 ARG 266 HD2 -0.02 -0.03 0.01 -0.04 3.22 3.14 2dviA1 ARG 266 HD3 -0.02 0.02 -0.04 -0.04 3.22 3.13 2dviA1 LEU 267 H -0.11 0.40 -0.18 -0.55 8.37 7.93 2dviA1 LEU 267 HA -0.07 0.05 0.32 -0.75 4.35 3.89 2dviA1 LEU 267 HB2 -0.04 0.06 0.04 -0.04 1.64 1.66 2dviA1 LEU 267 HB3 -0.19 0.13 0.04 -0.04 1.64 1.58 2dviA1 LEU 267 HG 0.07 -0.02 -0.21 -0.04 1.64 1.43 2dviA1 LEU 267 HD13 0.05 -0.01 -0.06 -0.04 0.93 0.87 2dviA1 LEU 267 HD23 0.26 0.01 -0.04 -0.04 0.89 1.08 2dviA1 ARG 268 H -0.38 0.20 -0.61 -0.55 8.46 7.12 2dviA1 ARG 268 HA -0.72 0.04 0.40 -0.75 4.34 3.30 2dviA1 ARG 268 HB2 -0.61 0.09 0.12 -0.04 1.90 1.46 2dviA1 ARG 268 HB3 -0.24 0.15 0.11 -0.04 1.80 1.77 2dviA1 ARG 268 HG2 -0.11 -0.01 -0.14 -0.04 1.67 1.37 2dviA1 ARG 268 HG3 -0.19 -0.03 0.00 -0.04 1.67 1.41 2dviA1 ARG 268 HD2 -0.01 -0.05 -0.01 -0.04 3.22 3.11 2dviA1 ARG 268 HD3 -0.08 0.00 0.01 -0.04 3.22 3.11 2dviA1 LYS 269 H -0.14 0.36 -0.15 -0.55 8.42 7.93 2dviA1 LYS 269 HA -0.05 0.02 0.42 -0.75 4.32 3.95 2dviA1 LYS 269 HB2 -0.06 0.16 0.21 -0.04 1.87 2.14 2dviA1 LYS 269 HB3 -0.04 -0.01 -0.01 -0.04 1.79 1.69 2dviA1 LYS 269 HG2 -0.04 -0.03 0.05 -0.04 1.46 1.40 2dviA1 LYS 269 HG3 -0.06 0.08 0.10 -0.04 1.46 1.54 2dviA1 LYS 269 HD2 -0.04 -0.04 0.02 -0.04 1.69 1.59 2dviA1 LYS 269 HD3 -0.03 0.01 0.01 -0.04 1.68 1.63 2dviA1 LYS 269 HE2 -0.02 -0.02 -0.02 -0.04 2.99 2.89 2dviA1 LYS 269 HE3 -0.02 0.00 -0.00 -0.04 2.99 2.93 2dviA1 ILE 270 H -0.07 0.48 -0.19 -0.55 8.25 7.92 2dviA1 ILE 270 HA -0.01 0.04 0.40 -0.75 4.18 3.86 2dviA1 ILE 270 HB -0.03 0.09 0.11 -0.04 1.89 2.02 2dviA1 ILE 270 HG12 -0.02 -0.00 -0.01 -0.04 1.49 1.43 2dviA1 ILE 270 HG13 -0.03 0.08 0.00 -0.04 1.21 1.22 2dviA1 ILE 270 HG23 0.01 0.00 -0.18 -0.04 0.93 0.72 2dviA1 ILE 270 HD13 -0.02 -0.02 -0.10 -0.04 0.88 0.70 2dviA1 VAL 271 H -0.02 0.50 -0.15 -0.55 8.24 8.02 2dviA1 VAL 271 HA 0.06 0.03 0.38 -0.75 4.13 3.84 2dviA1 VAL 271 HB 0.12 0.09 0.11 -0.04 2.12 2.40 2dviA1 VAL 271 HG13 0.16 -0.02 -0.10 -0.04 0.97 0.97 2dviA1 VAL 271 HG23 0.21 0.05 0.00 -0.04 0.95 1.17 2dviA1 GLU 272 H 0.00 0.43 -0.30 -0.55 8.60 8.19 2dviA1 GLU 272 HA 0.04 0.01 0.47 -0.75 4.29 4.05 2dviA1 GLU 272 HB2 0.01 -0.02 0.12 -0.04 2.09 2.16 2dviA1 GLU 272 HB3 -0.01 0.17 0.21 -0.04 1.99 2.32 2dviA1 GLU 272 HG2 0.01 0.04 -0.17 -0.04 2.34 2.18 2dviA1 GLU 272 HG3 0.02 -0.05 0.04 -0.04 2.34 2.31 2dviA1 GLU 273 H 0.01 0.44 -0.18 -0.55 8.60 8.32 2dviA1 GLU 273 HA 0.01 0.02 0.46 -0.75 4.29 4.03 2dviA1 GLU 273 HB2 0.00 0.12 0.14 -0.04 2.09 2.32 2dviA1 GLU 273 HB3 0.01 -0.06 0.05 -0.04 1.99 1.94 2dviA1 GLU 273 HG2 -0.00 -0.09 0.02 -0.04 2.34 2.24 2dviA1 GLU 273 HG3 -0.01 0.38 0.14 -0.04 2.34 2.81 2dviA1 ARG 274 H 0.02 0.34 -0.18 -0.55 8.46 8.09 2dviA1 ARG 274 HA 0.02 0.06 0.52 -0.75 4.34 4.19 2dviA1 ARG 274 HB2 0.04 -0.04 0.10 -0.04 1.90 1.96 2dviA1 ARG 274 HB3 0.03 -0.03 0.06 -0.04 1.80 1.82 2dviA1 ARG 274 HG2 0.02 -0.03 -0.01 -0.04 1.67 1.61 2dviA1 ARG 274 HG3 0.02 0.45 0.03 -0.04 1.67 2.13 2dviA1 ARG 274 HD2 0.03 -0.07 -0.14 -0.04 3.22 3.00 2dviA1 ARG 274 HD3 0.04 -0.06 -0.05 -0.04 3.22 3.10 2dviA1 GLY 275 H 0.04 0.30 -0.31 -0.55 8.43 7.91 2dviA1 GLY 275 HA2 0.04 0.02 0.31 -0.51 4.01 3.87 2dviA1 GLY 275 HA3 0.03 0.04 0.40 -0.51 4.01 3.98 2dviA1 THR 276 H 0.05 0.03 -0.25 -0.55 8.28 7.57 2dviA1 THR 276 HA 0.06 0.29 0.70 -0.75 4.39 4.69 2dviA1 THR 276 HB 0.06 -0.08 -0.01 -0.04 4.32 4.25 2dviA1 THR 276 HG23 0.05 0.04 -0.18 -0.04 1.22 1.09 2dviA1 ALA 277 H 0.09 0.78 0.25 -0.55 8.40 8.97 2dviA1 ALA 277 HA 0.12 0.09 0.79 -0.75 4.34 4.58 2dviA1 ALA 277 HB3 0.15 -0.04 0.02 -0.04 1.41 1.51 2dviA1 VAL 278 H 0.12 0.21 0.10 -0.55 8.24 8.12 2dviA1 VAL 278 HA -0.02 0.45 1.20 -0.75 4.13 5.00 2dviA1 VAL 278 HB 0.06 -0.08 0.11 -0.04 2.12 2.17 2dviA1 VAL 278 HG13 -0.02 0.01 -0.11 -0.04 0.97 0.81 2dviA1 VAL 278 HG23 0.07 0.02 -0.18 -0.04 0.95 0.82 2dviA1 PHE 279 H -0.33 0.54 0.29 -0.55 8.34 8.29 2dviA1 PHE 279 HA -0.00 0.20 0.87 -0.75 4.62 4.93 2dviA1 PHE 279 HB2 0.04 0.01 0.01 -0.04 3.15 3.18 2dviA1 PHE 279 HB3 0.01 -0.05 -0.21 -0.04 3.06 2.77 2dviA1 PHE 279 HD2 0.08 0.01 -0.40 -0.04 7.28 6.92 2dviA1 PHE 279 HE2 -0.10 0.02 -0.21 -0.04 7.38 7.05 2dviA1 PHE 279 HZ -0.29 0.03 -0.20 -0.04 7.32 6.82 2dviA1 ALA 280 H 0.29 0.53 0.34 -0.55 8.40 9.01 2dviA1 ALA 280 HA 0.22 0.36 1.07 -0.75 4.34 5.23 2dviA1 ALA 280 HB3 0.15 -0.02 -0.07 -0.04 1.41 1.43 2dviA1 VAL 281 H 0.32 0.59 0.36 -0.55 8.24 8.95 2dviA1 VAL 281 HA 0.28 0.22 0.95 -0.75 4.13 4.82 2dviA1 VAL 281 HB 0.32 -0.07 0.21 -0.04 2.12 2.54 2dviA1 VAL 281 HG13 0.06 0.01 -0.11 -0.04 0.97 0.90 2dviA1 VAL 281 HG23 0.36 0.01 -0.09 -0.04 0.95 1.19 2dviA1 LYS 282 H 0.17 0.70 0.37 -0.55 8.42 9.11 2dviA1 LYS 282 HA -0.18 0.33 1.10 -0.75 4.32 4.81 2dviA1 LYS 282 HB2 -0.00 -0.06 -0.02 -0.04 1.87 1.75 2dviA1 LYS 282 HB3 -0.02 -0.02 0.12 -0.04 1.79 1.83 2dviA1 LYS 282 HG2 -0.20 -0.01 -0.29 -0.04 1.46 0.92 2dviA1 LYS 282 HG3 -0.60 0.05 0.02 -0.04 1.46 0.89 2dviA1 LYS 282 HD2 0.00 -0.03 -0.07 -0.04 1.69 1.55 2dviA1 LYS 282 HD3 -0.12 -0.02 -0.09 -0.04 1.68 1.40 2dviA1 LYS 282 HE2 -0.95 0.01 -0.13 -0.04 2.99 1.89 2dviA1 LYS 282 HE3 -1.34 -0.03 -0.10 -0.04 2.99 1.48 2dviA1 PHE 283 H -0.42 0.46 0.35 -0.55 8.34 8.18 2dviA1 PHE 283 HA -0.11 0.12 0.57 -0.75 4.62 4.45 2dviA1 PHE 283 HB2 0.01 0.13 0.05 -0.04 3.15 3.30 2dviA1 PHE 283 HB3 -0.05 0.06 -0.01 -0.04 3.06 3.02 2dviA1 PHE 283 HD2 -0.02 0.09 -0.32 -0.04 7.28 6.99 2dviA1 PHE 283 HE2 -0.03 -0.05 -0.11 -0.04 7.38 7.15 2dviA1 PHE 283 HZ -0.07 -0.07 -0.10 -0.04 7.32 7.04 2dviA1 ARG 284 H 0.46 0.25 0.08 -0.55 8.46 8.70 2dviA1 ARG 284 HA -0.00 0.03 0.60 -0.75 4.34 4.21 2dviA1 ARG 284 HB2 0.19 0.02 0.08 -0.04 1.90 2.15 2dviA1 ARG 284 HB3 -0.02 0.10 -0.02 -0.04 1.80 1.82 2dviA1 ARG 284 HG2 -0.08 -0.01 -0.02 -0.04 1.67 1.52 2dviA1 ARG 284 HG3 0.42 -0.03 -0.02 -0.04 1.67 1.99 2dviA1 ARG 284 HD2 0.05 0.03 -0.02 -0.04 3.22 3.24 2dviA1 ARG 284 HD3 -0.04 0.02 -0.01 -0.04 3.22 3.14 2dviA1 LYS 285 H -0.22 0.57 0.35 -0.55 8.42 8.56 2dviA1 LYS 285 HA -0.08 0.04 0.45 -0.75 4.32 3.98 2dviA1 LYS 285 HB2 -0.16 -0.07 -0.34 -0.04 1.87 1.26 2dviA1 LYS 285 HB3 -0.16 0.19 -0.17 -0.04 1.79 1.61 2dviA1 LYS 285 HG2 -0.06 0.06 -0.37 -0.04 1.46 1.04 2dviA1 LYS 285 HG3 -0.07 -0.08 -0.09 -0.04 1.46 1.16 2dviA1 LYS 285 HD2 -0.06 -0.05 -0.13 -0.04 1.69 1.41 2dviA1 LYS 285 HD3 -0.07 0.05 -0.25 -0.04 1.68 1.36 2dviA1 LYS 285 HE2 -0.03 -0.02 -0.04 -0.04 2.99 2.85 2dviA1 LYS 285 HE3 -0.02 -0.08 -0.04 -0.04 2.99 2.81 2dviA1 PRO 286 HA 0.01 0.06 0.39 -0.51 4.44 4.38 2dviA1 PRO 286 HB2 0.00 -0.08 -0.09 -0.04 2.28 2.07 2dviA1 PRO 286 HB3 0.01 0.01 -0.05 -0.04 2.02 1.96 2dviA1 PRO 286 HG2 0.06 -0.13 -0.19 -0.04 2.03 1.73 2dviA1 PRO 286 HG3 0.09 0.18 -0.09 -0.04 2.03 2.17 2dviA1 PRO 286 HD2 0.02 0.01 0.13 -0.04 3.68 3.80 2dviA1 PRO 286 HD3 0.15 0.29 0.22 -0.04 3.65 4.27 2dviA1 ASP 287 H -0.02 0.13 0.09 -0.55 8.40 8.05 2dviA1 ASP 287 HA -0.03 0.17 0.61 -0.75 4.63 4.63 2dviA1 ASP 287 HB2 -0.03 0.08 0.12 -0.04 2.71 2.83 2dviA1 ASP 287 HB3 -0.03 -0.04 0.23 -0.04 2.70 2.82 2dviA1 ILE 288 H -0.01 0.56 0.05 -0.55 8.25 8.29 2dviA1 ILE 288 HA -0.02 0.15 0.67 -0.75 4.18 4.23 2dviA1 ILE 288 HB -0.00 -0.10 0.04 -0.04 1.89 1.79 2dviA1 ILE 288 HG12 -0.01 0.10 -0.28 -0.04 1.49 1.26 2dviA1 ILE 288 HG13 0.00 0.02 -0.30 -0.04 1.21 0.90 2dviA1 ILE 288 HG23 -0.01 -0.01 -0.34 -0.04 0.93 0.53 2dviA1 ILE 288 HD13 -0.01 -0.03 -0.19 -0.04 0.88 0.61 2dviA1 VAL 289 H 0.00 0.16 0.08 -0.55 8.24 7.93 2dviA1 VAL 289 HA 0.04 0.14 0.38 -0.75 4.13 3.93 2dviA1 VAL 289 HB 0.04 0.01 0.03 -0.04 2.12 2.16 2dviA1 VAL 289 HG13 0.10 -0.14 -0.08 -0.04 0.97 0.80 2dviA1 VAL 289 HG23 -0.01 0.05 -0.22 -0.04 0.95 0.73 2dviA1 ASP 290 H 0.10 0.23 0.18 -0.55 8.40 8.36 2dviA1 ASP 290 HA 0.25 0.17 0.44 -0.75 4.63 4.73 2dviA1 ASP 290 HB2 0.11 -0.05 0.14 -0.04 2.71 2.87 2dviA1 ASP 290 HB3 0.15 -0.02 -0.01 -0.04 2.70 2.78 2dviA1 ASP 291 H 0.13 0.07 -0.27 -0.55 8.40 7.78 2dviA1 ASP 291 HA 0.25 0.05 0.41 -0.75 4.63 4.59 2dviA1 ASP 291 HB2 0.14 0.01 -0.01 -0.04 2.71 2.82 2dviA1 ASP 291 HB3 0.21 0.05 0.11 -0.04 2.70 3.03 2dviA1 ASN 292 H 0.10 0.37 -0.47 -0.55 8.53 7.98 2dviA1 ASN 292 HA 0.03 0.19 0.83 -0.75 4.76 5.05 2dviA1 ASN 292 HB2 0.03 0.04 0.05 -0.04 2.88 2.97 2dviA1 ASN 292 HB3 0.01 -0.01 -0.03 -0.04 2.79 2.72 2dviA1 ASN 292 HD21 0.04 0.10 0.05 -0.04 7.03 7.18 2dviA1 ASN 292 HD22 0.02 -0.05 0.04 -0.04 7.74 7.71 2dviA1 LEU 293 H 0.06 0.48 0.02 -0.55 8.37 8.38 2dviA1 LEU 293 HA -0.05 -0.00 0.35 -0.75 4.35 3.89 2dviA1 LEU 293 HB2 -0.03 0.10 -0.02 -0.04 1.64 1.66 2dviA1 LEU 293 HB3 -0.01 -0.04 0.14 -0.04 1.64 1.69 2dviA1 LEU 293 HG -0.40 -0.05 -0.34 -0.04 1.64 0.81 2dviA1 LEU 293 HD13 -0.08 0.00 0.00 -0.04 0.93 0.82 2dviA1 LEU 293 HD23 -0.22 0.03 -0.04 -0.04 0.89 0.61 2dviA1 TYR 294 H 0.24 0.47 -0.00 -0.55 8.29 8.44 2dviA1 TYR 294 HA -0.18 0.02 0.38 -0.75 4.56 4.02 2dviA1 TYR 294 HB2 0.06 0.03 -0.02 -0.04 3.06 3.09 2dviA1 TYR 294 HB3 0.06 0.09 -0.16 -0.04 2.98 2.93 2dviA1 TYR 294 HD2 0.19 0.15 0.08 -0.04 7.15 7.54 2dviA1 TYR 294 HE2 0.19 0.02 0.03 -0.04 6.85 7.05 2dviA1 PRO 295 HA -0.15 0.10 0.49 -0.51 4.44 4.37 2dviA1 PRO 295 HB2 -0.20 0.05 0.02 -0.04 2.28 2.11 2dviA1 PRO 295 HB3 -0.36 0.03 0.10 -0.04 2.02 1.74 2dviA1 PRO 295 HG2 -0.52 0.15 0.09 -0.04 2.03 1.70 2dviA1 PRO 295 HG3 -1.02 0.00 0.02 -0.04 2.03 0.99 2dviA1 PRO 295 HD2 -0.04 0.17 -0.50 -0.04 3.68 3.26 2dviA1 PRO 295 HD3 0.07 0.02 -0.10 -0.04 3.65 3.59 2dviA1 GLN 296 H -0.11 0.38 -0.47 -0.55 8.47 7.72 2dviA1 GLN 296 HA -0.08 0.03 0.56 -0.75 4.36 4.12 2dviA1 GLN 296 HB2 -0.09 0.33 0.24 -0.04 2.15 2.59 2dviA1 GLN 296 HB3 -0.07 -0.05 0.08 -0.04 2.02 1.94 2dviA1 GLN 296 HG2 -0.06 -0.11 0.10 -0.04 2.40 2.28 2dviA1 GLN 296 HG3 -0.07 0.17 0.06 -0.04 2.39 2.52 2dviA1 GLN 296 HE21 -0.02 -0.05 -0.02 -0.04 6.97 6.84 2dviA1 GLN 296 HE22 -0.03 0.20 0.02 -0.04 7.69 7.84 2dviA1 LEU 297 H -0.26 0.43 0.06 -0.55 8.37 8.05 2dviA1 LEU 297 HA -0.17 0.06 0.46 -0.75 4.35 3.94 2dviA1 LEU 297 HB2 -0.98 0.07 0.08 -0.04 1.64 0.77 2dviA1 LEU 297 HB3 -0.95 -0.00 -0.01 -0.04 1.64 0.65 2dviA1 LEU 297 HG -0.34 0.13 -0.05 -0.04 1.64 1.34 2dviA1 LEU 297 HD13 -0.49 -0.00 -0.12 -0.04 0.93 0.28 2dviA1 LEU 297 HD23 0.04 -0.00 -0.06 -0.04 0.89 0.83 2dviA1 GLU 298 H -0.24 0.48 -0.30 -0.55 8.60 7.99 2dviA1 GLU 298 HA 0.17 0.05 0.42 -0.75 4.29 4.18 2dviA1 GLU 298 HB2 -0.01 0.09 0.13 -0.04 2.09 2.26 2dviA1 GLU 298 HB3 0.09 -0.03 -0.01 -0.04 1.99 2.00 2dviA1 GLU 298 HG2 0.46 -0.02 -0.00 -0.04 2.34 2.74 2dviA1 GLU 298 HG3 0.14 0.09 0.01 -0.04 2.34 2.55 2dviA1 ARG 299 H -0.05 0.35 -0.24 -0.55 8.46 7.96 2dviA1 ARG 299 HA 0.03 0.04 0.45 -0.75 4.34 4.10 2dviA1 ARG 299 HB2 -0.03 0.07 0.15 -0.04 1.90 2.06 2dviA1 ARG 299 HB3 -0.04 0.06 0.11 -0.04 1.80 1.89 2dviA1 ARG 299 HG2 0.01 0.02 -0.09 -0.04 1.67 1.57 2dviA1 ARG 299 HG3 0.00 -0.03 0.04 -0.04 1.67 1.65 2dviA1 ARG 299 HD2 -0.04 -0.07 -0.01 -0.04 3.22 3.06 2dviA1 ARG 299 HD3 -0.04 -0.02 -0.13 -0.04 3.22 2.99 2dviA1 ALA 300 H -0.03 0.74 -0.05 -0.55 8.40 8.52 2dviA1 ALA 300 HA 0.04 0.01 0.35 -0.75 4.34 3.98 2dviA1 ALA 300 HB3 -0.03 0.05 0.09 -0.04 1.41 1.49 2dviA1 SER 301 H 0.08 0.60 -0.27 -0.55 8.46 8.32 2dviA1 SER 301 HA 0.35 -0.01 0.41 -0.75 4.49 4.48 2dviA1 SER 301 HB2 0.23 0.13 0.14 -0.04 3.95 4.41 2dviA1 SER 301 HB3 0.22 0.06 0.11 -0.04 3.93 4.27 2dviA1 ARG 302 H 0.13 0.53 -0.23 -0.55 8.46 8.34 2dviA1 ARG 302 HA 0.17 0.01 0.45 -0.75 4.34 4.21 2dviA1 ARG 302 HB2 0.08 0.07 0.15 -0.04 1.90 2.16 2dviA1 ARG 302 HB3 0.09 0.08 0.19 -0.04 1.80 2.12 2dviA1 ARG 302 HG2 0.11 -0.05 -0.15 -0.04 1.67 1.54 2dviA1 ARG 302 HG3 0.06 -0.02 0.03 -0.04 1.67 1.69 2dviA1 ARG 302 HD2 0.05 -0.03 -0.01 -0.04 3.22 3.18 2dviA1 ARG 302 HD3 0.05 0.01 -0.01 -0.04 3.22 3.24 2dviA1 LYS 303 H 0.14 0.80 -0.04 -0.55 8.42 8.77 2dviA1 LYS 303 HA 0.13 -0.01 0.43 -0.75 4.32 4.11 2dviA1 LYS 303 HB2 0.14 0.13 0.12 -0.04 1.87 2.21 2dviA1 LYS 303 HB3 0.25 -0.05 -0.10 -0.04 1.79 1.85 2dviA1 LYS 303 HG2 0.08 -0.02 0.04 -0.04 1.46 1.53 2dviA1 LYS 303 HG3 0.08 0.18 0.00 -0.04 1.46 1.68 2dviA1 LYS 303 HD2 0.19 -0.01 -0.00 -0.04 1.69 1.82 2dviA1 LYS 303 HD3 0.12 -0.06 0.06 -0.04 1.68 1.76 2dviA1 LYS 303 HE2 0.07 -0.02 0.00 -0.04 2.99 3.00 2dviA1 LYS 303 HE3 0.07 0.03 0.02 -0.04 2.99 3.06 2dviA1 ILE 304 H 0.21 0.53 -0.21 -0.55 8.25 8.22 2dviA1 ILE 304 HA -0.19 0.03 0.48 -0.75 4.18 3.74 2dviA1 ILE 304 HB 0.26 0.15 0.09 -0.04 1.89 2.34 2dviA1 ILE 304 HG12 0.18 -0.07 -0.05 -0.04 1.49 1.50 2dviA1 ILE 304 HG13 0.20 0.11 0.01 -0.04 1.21 1.49 2dviA1 ILE 304 HG23 -0.48 -0.03 -0.14 -0.04 0.93 0.24 2dviA1 ILE 304 HD13 0.13 -0.01 -0.07 -0.04 0.88 0.89 2dviA1 PHE 305 H 0.38 0.47 -0.19 -0.55 8.34 8.45 2dviA1 PHE 305 HA 0.06 -0.01 0.36 -0.75 4.62 4.28 2dviA1 PHE 305 HB2 0.34 0.12 0.12 -0.04 3.15 3.68 2dviA1 PHE 305 HB3 0.14 0.11 0.15 -0.04 3.06 3.42 2dviA1 PHE 305 HD2 0.17 0.01 -0.24 -0.04 7.28 7.18 2dviA1 PHE 305 HE2 0.06 -0.03 -0.34 -0.04 7.38 7.04 2dviA1 PHE 305 HZ 0.05 0.21 -0.18 -0.04 7.32 7.36 2dviA1 GLU 306 H 0.21 0.56 -0.21 -0.55 8.60 8.61 2dviA1 GLU 306 HA 0.09 0.03 0.48 -0.75 4.29 4.14 2dviA1 GLU 306 HB2 0.08 0.11 0.08 -0.04 2.09 2.32 2dviA1 GLU 306 HB3 0.07 -0.06 0.04 -0.04 1.99 2.00 2dviA1 GLU 306 HG2 0.19 -0.06 0.02 -0.04 2.34 2.45 2dviA1 GLU 306 HG3 0.21 0.40 0.11 -0.04 2.34 3.02 2dviA1 PHE 307 H -0.01 0.38 -0.33 -0.55 8.34 7.83 2dviA1 PHE 307 HA -0.22 0.02 0.42 -0.75 4.62 4.08 2dviA1 PHE 307 HB2 -0.99 0.03 0.10 -0.04 3.15 2.25 2dviA1 PHE 307 HB3 -0.61 0.17 0.20 -0.04 3.06 2.78 2dviA1 PHE 307 HD2 -0.34 0.04 -0.08 -0.04 7.28 6.86 2dviA1 PHE 307 HE2 -0.14 -0.06 -0.21 -0.04 7.38 6.93 2dviA1 PHE 307 HZ -0.43 -0.05 -0.08 -0.04 7.32 6.72 2dviA1 LEU 308 H -0.14 0.60 -0.17 -0.55 8.37 8.11 2dviA1 LEU 308 HA -0.26 -0.01 0.32 -0.75 4.35 3.66 2dviA1 LEU 308 HB2 -0.30 0.19 0.09 -0.04 1.64 1.57 2dviA1 LEU 308 HB3 -0.11 -0.09 -0.05 -0.04 1.64 1.34 2dviA1 LEU 308 HG -0.11 0.16 -0.02 -0.04 1.64 1.63 2dviA1 LEU 308 HD13 -0.26 -0.01 -0.13 -0.04 0.93 0.49 2dviA1 LEU 308 HD23 -0.13 -0.02 -0.05 -0.04 0.89 0.65 2dviA1 GLU 309 H -0.24 0.38 -0.39 -0.55 8.60 7.80 2dviA1 GLU 309 HA -0.18 -0.03 0.59 -0.75 4.29 3.91 2dviA1 GLU 309 HB2 -0.09 -0.04 0.10 -0.04 2.09 2.02 2dviA1 GLU 309 HB3 -0.24 0.11 0.14 -0.04 1.99 1.96 2dviA1 GLU 309 HG2 -0.07 0.41 0.28 -0.04 2.34 2.92 2dviA1 GLU 309 HG3 -0.04 -0.05 -0.08 -0.04 2.34 2.13 2dviA1 ARG 310 H -0.16 0.58 0.01 -0.55 8.46 8.33 2dviA1 ARG 310 HA -0.11 0.06 0.48 -0.75 4.34 4.02 2dviA1 ARG 310 HB2 -0.08 -0.04 0.13 -0.04 1.90 1.86 2dviA1 ARG 310 HB3 -0.06 -0.03 0.12 -0.04 1.80 1.79 2dviA1 ARG 310 HG2 -0.13 0.21 0.18 -0.04 1.67 1.89 2dviA1 ARG 310 HG3 -0.18 0.03 -0.08 -0.04 1.67 1.40 2dviA1 ARG 310 HD2 0.00 -0.04 -0.01 -0.04 3.22 3.13 2dviA1 ARG 310 HD3 0.01 -0.03 -0.01 -0.04 3.22 3.15 2dviA1 GLU 311 H -0.33 0.30 -0.53 -0.55 8.60 7.50 2dviA1 GLU 311 HA -0.28 0.14 0.71 -0.75 4.29 4.10 2dviA1 GLU 311 HB2 -0.32 0.03 0.02 -0.04 2.09 1.77 2dviA1 GLU 311 HB3 -0.10 -0.06 0.08 -0.04 1.99 1.88 2dviA1 GLU 311 HG2 -0.88 0.15 -0.05 -0.04 2.34 1.52 2dviA1 GLU 311 HG3 -0.41 -0.10 -0.06 -0.04 2.34 1.73 2dviA1 ASN 312 H -0.24 0.40 -0.52 -0.55 8.53 7.63 2dviA1 ASN 312 HA -0.18 0.07 0.36 -0.75 4.76 4.26 2dviA1 ASN 312 HB2 -0.35 0.20 -0.11 -0.04 2.88 2.58 2dviA1 ASN 312 HB3 -0.20 -0.07 0.22 -0.04 2.79 2.70 2dviA1 ASN 312 HD21 -0.08 -0.03 0.02 -0.04 7.03 6.90 2dviA1 ASN 312 HD22 -0.10 -0.03 0.06 -0.04 7.74 7.63 2dviA1 PHE 313 H -0.13 0.54 -0.07 -0.55 8.34 8.13 2dviA1 PHE 313 HA -0.04 0.14 0.62 -0.75 4.62 4.59 2dviA1 PHE 313 HB2 -0.13 0.05 0.03 -0.04 3.15 3.06 2dviA1 PHE 313 HB3 -0.03 -0.04 0.08 -0.04 3.06 3.04 2dviA1 PHE 313 HD2 -0.13 0.04 -0.11 -0.04 7.28 7.04 2dviA1 PHE 313 HE2 0.00 -0.02 -0.33 -0.04 7.38 6.99 2dviA1 PHE 313 HZ 0.30 0.00 -0.37 -0.04 7.32 7.21 2dviA1 MET 314 H -0.06 0.08 -0.32 -0.55 8.47 7.62 2dviA1 MET 314 HA -0.04 0.08 0.30 -0.75 4.52 4.10 2dviA1 MET 314 HB2 0.03 -0.04 -0.06 -0.04 2.15 2.03 2dviA1 MET 314 HB3 0.01 0.03 0.13 -0.04 2.03 2.16 2dviA1 MET 314 HG2 -0.03 0.02 -0.00 -0.04 2.63 2.58 2dviA1 MET 314 HG3 -0.04 0.12 -0.23 -0.04 2.56 2.37 2dviA1 MET 314 HE3 0.01 -0.00 0.00 -0.04 2.10 2.06 2dviA1 PRO 315 HA -0.01 0.10 0.54 -0.51 4.44 4.55 2dviA1 PRO 315 HB2 -1.17 0.05 -0.07 -0.04 2.28 1.04 2dviA1 PRO 315 HB3 -0.42 0.00 -0.01 -0.04 2.02 1.56 2dviA1 PRO 315 HG2 -0.66 0.14 -0.11 -0.04 2.03 1.36 2dviA1 PRO 315 HG3 -0.25 -0.04 -0.21 -0.04 2.03 1.49 2dviA1 PRO 315 HD2 -0.23 0.13 0.07 -0.04 3.68 3.62 2dviA1 PRO 315 HD3 -0.13 -0.00 -0.05 -0.04 3.65 3.42 2dviA1 LEU 316 H 0.11 0.77 0.43 -0.55 8.37 9.14 2dviA1 LEU 316 HA 0.13 0.12 0.75 -0.75 4.35 4.60 2dviA1 LEU 316 HB2 0.08 -0.07 0.17 -0.04 1.64 1.79 2dviA1 LEU 316 HB3 0.07 0.02 0.03 -0.04 1.64 1.72 2dviA1 LEU 316 HG 0.06 0.01 -0.09 -0.04 1.64 1.58 2dviA1 LEU 316 HD13 0.05 -0.01 -0.12 -0.04 0.93 0.80 2dviA1 LEU 316 HD23 0.05 0.01 -0.02 -0.04 0.89 0.89 2dviA1 ARG 317 H 0.15 0.16 0.27 -0.55 8.46 8.49 2dviA1 ARG 317 HA 0.12 0.18 0.78 -0.75 4.34 4.67 2dviA1 ARG 317 HB2 0.02 -0.01 -0.03 -0.04 1.90 1.84 2dviA1 ARG 317 HB3 -0.03 0.03 0.14 -0.04 1.80 1.90 2dviA1 ARG 317 HG2 0.01 0.05 0.02 -0.04 1.67 1.71 2dviA1 ARG 317 HG3 0.05 -0.10 -0.44 -0.04 1.67 1.14 2dviA1 ARG 317 HD2 -0.00 -0.04 -0.01 -0.04 3.22 3.12 2dviA1 ARG 317 HD3 -0.01 0.33 0.08 -0.04 3.22 3.58 2dviA1 SER 318 H -0.09 0.26 0.24 -0.55 8.46 8.33 2dviA1 SER 318 HA -0.20 0.35 0.92 -0.75 4.49 4.81 2dviA1 SER 318 HB2 -0.25 0.05 0.19 -0.04 3.95 3.90 2dviA1 SER 318 HB3 0.35 -0.03 -0.03 -0.04 3.93 4.18 2dviA1 ALA 319 H -0.31 0.48 0.38 -0.55 8.40 8.40 2dviA1 ALA 319 HA -0.30 0.12 0.49 -0.75 4.34 3.90 2dviA1 ALA 319 HB3 -0.18 0.02 -0.04 -0.04 1.41 1.17 2dviA1 PHE 320 H -0.43 0.30 0.21 -0.55 8.34 7.87 2dviA1 PHE 320 HA -0.02 0.17 0.72 -0.75 4.62 4.74 2dviA1 PHE 320 HB2 0.01 0.04 0.14 -0.04 3.15 3.30 2dviA1 PHE 320 HB3 -0.02 0.07 0.09 -0.04 3.06 3.17 2dviA1 PHE 320 HD2 0.02 0.02 -0.27 -0.04 7.28 7.02 2dviA1 PHE 320 HE2 0.21 0.00 -0.07 -0.04 7.38 7.48 2dviA1 PHE 320 HZ 0.16 0.04 -0.05 -0.04 7.32 7.43 2dviA1 LYS 321 H 0.24 0.52 0.38 -0.55 8.42 9.00 2dviA1 LYS 321 HA 0.18 0.18 0.92 -0.75 4.32 4.85 2dviA1 LYS 321 HB2 0.03 -0.04 -0.09 -0.04 1.87 1.73 2dviA1 LYS 321 HB3 0.12 -0.05 -0.01 -0.04 1.79 1.81 2dviA1 LYS 321 HG2 0.05 0.03 0.08 -0.04 1.46 1.58 2dviA1 LYS 321 HG3 -0.02 0.14 0.05 -0.04 1.46 1.59 2dviA1 LYS 321 HD2 0.10 -0.06 -0.20 -0.04 1.69 1.48 2dviA1 LYS 321 HD3 0.13 -0.06 -0.17 -0.04 1.68 1.54 2dviA1 LYS 321 HE2 0.08 -0.02 -0.14 -0.04 2.99 2.87 2dviA1 LYS 321 HE3 0.08 0.02 -0.02 -0.04 2.99 3.03 2dviA1 ALA 322 H 0.16 0.23 0.10 -0.55 8.40 8.34 2dviA1 ALA 322 HA 0.03 0.21 1.16 -0.75 4.34 4.98 2dviA1 ALA 322 HB3 -0.07 0.01 0.07 -0.04 1.41 1.37 2dviA1 SER 323 H 0.16 0.30 0.12 -0.55 8.46 8.49 2dviA1 SER 323 HA 0.09 0.13 0.64 -0.75 4.49 4.59 2dviA1 SER 323 HB2 0.10 -0.07 0.23 -0.04 3.95 4.17 2dviA1 SER 323 HB3 0.17 0.06 0.10 -0.04 3.93 4.21 2dviA1 GLU 324 H 0.04 0.10 0.16 -0.55 8.60 8.35 2dviA1 GLU 324 HA -0.01 0.19 0.53 -0.75 4.29 4.25 2dviA1 GLU 324 HB2 0.00 -0.05 0.12 -0.04 2.09 2.12 2dviA1 GLU 324 HB3 -0.02 0.04 0.06 -0.04 1.99 2.03 2dviA1 GLU 324 HG2 0.01 0.04 0.02 -0.04 2.34 2.37 2dviA1 GLU 324 HG3 0.02 -0.04 0.03 -0.04 2.34 2.32 2dviA1 GLU 325 H -0.02 -0.10 -0.13 -0.55 8.60 7.81 2dviA1 GLU 325 HA -0.31 0.20 0.69 -0.75 4.29 4.12 2dviA1 GLU 325 HB2 -0.28 -0.02 0.08 -0.04 2.09 1.84 2dviA1 GLU 325 HB3 -0.36 0.05 0.05 -0.04 1.99 1.68 2dviA1 GLU 325 HG2 -0.01 0.06 -0.00 -0.04 2.34 2.34 2dviA1 GLU 325 HG3 0.03 -0.19 0.14 -0.04 2.34 2.28 2dviA1 PHE 326 H 0.05 -0.04 0.06 -0.55 8.34 7.86 2dviA1 PHE 326 HA -0.20 0.15 1.09 -0.75 4.62 4.90 2dviA1 PHE 326 HB2 -0.37 -0.08 -0.03 -0.04 3.15 2.63 2dviA1 PHE 326 HB3 -0.52 0.17 0.16 -0.04 3.06 2.83 2dviA1 PHE 326 HD2 0.02 -0.00 -0.28 -0.04 7.28 6.98 2dviA1 PHE 326 HE2 0.03 0.02 -0.10 -0.04 7.38 7.28 2dviA1 PHE 326 HZ -0.02 0.02 -0.08 -0.04 7.32 7.20 2dviA1 CYS 327 H -0.56 0.65 0.36 -0.55 8.50 8.41 2dviA1 CYS 327 HA -0.18 0.20 1.05 -0.75 4.58 4.89 2dviA1 CYS 327 HB2 -1.72 0.05 -0.01 -0.04 2.97 1.25 2dviA1 CYS 327 HB3 -0.51 0.00 0.01 -0.04 2.97 2.43 2dviA1 TYR 328 H 0.10 0.67 0.42 -0.55 8.29 8.93 2dviA1 TYR 328 HA -0.00 0.39 1.09 -0.75 4.56 5.29 2dviA1 TYR 328 HB2 0.01 -0.12 0.07 -0.04 3.06 2.97 2dviA1 TYR 328 HB3 0.01 0.02 -0.08 -0.04 2.98 2.89 2dviA1 TYR 328 HD2 -0.00 0.06 -0.21 -0.04 7.15 6.96 2dviA1 TYR 328 HE2 0.00 -0.03 -0.15 -0.04 6.85 6.63 2dviA1 LEU 329 H 0.23 0.52 0.33 -0.55 8.37 8.90 2dviA1 LEU 329 HA 0.10 0.22 1.05 -0.75 4.35 4.97 2dviA1 LEU 329 HB2 0.35 -0.09 0.24 -0.04 1.64 2.10 2dviA1 LEU 329 HB3 0.16 0.07 0.10 -0.04 1.64 1.93 2dviA1 LEU 329 HG 0.51 0.03 -0.08 -0.04 1.64 2.05 2dviA1 LEU 329 HD13 0.17 0.00 -0.13 -0.04 0.93 0.94 2dviA1 LEU 329 HD23 0.18 0.02 -0.05 -0.04 0.89 1.00 2dviA1 LEU 330 H -0.21 0.71 0.26 -0.55 8.37 8.58 2dviA1 LEU 330 HA -0.17 0.23 1.02 -0.75 4.35 4.68 2dviA1 LEU 330 HB2 -0.19 -0.07 -0.08 -0.04 1.64 1.25 2dviA1 LEU 330 HB3 -0.15 0.07 -0.07 -0.04 1.64 1.45 2dviA1 LEU 330 HG -0.02 -0.06 -0.36 -0.04 1.64 1.16 2dviA1 LEU 330 HD13 -0.08 -0.01 -0.25 -0.04 0.93 0.55 2dviA1 LEU 330 HD23 -0.04 0.01 -0.21 -0.04 0.89 0.62 2dviA1 PHE 331 H -0.27 0.54 0.39 -0.55 8.34 8.45 2dviA1 PHE 331 HA -0.11 0.31 0.98 -0.75 4.62 5.05 2dviA1 PHE 331 HB2 -1.45 -0.07 -0.04 -0.04 3.15 1.55 2dviA1 PHE 331 HB3 -0.39 0.01 -0.02 -0.04 3.06 2.62 2dviA1 PHE 331 HD2 -0.02 0.02 -0.13 -0.04 7.28 7.11 2dviA1 PHE 331 HE2 0.19 0.02 -0.06 -0.04 7.38 7.49 2dviA1 PHE 331 HZ 0.14 0.01 0.01 -0.04 7.32 7.43 2dviA1 GLU 332 H 0.09 0.42 0.31 -0.55 8.60 8.87 2dviA1 GLU 332 HA -0.01 0.42 0.97 -0.75 4.29 4.91 2dviA1 GLU 332 HB2 0.00 0.01 -0.09 -0.04 2.09 1.97 2dviA1 GLU 332 HB3 0.05 -0.12 0.15 -0.04 1.99 2.03 2dviA1 GLU 332 HG2 0.05 -0.01 -0.23 -0.04 2.34 2.11 2dviA1 GLU 332 HG3 0.05 -0.00 -0.09 -0.04 2.34 2.25 2dviA1 CYS 333 H 0.07 0.52 0.34 -0.55 8.50 8.88 2dviA1 CYS 333 HA 0.06 0.16 0.94 -0.75 4.58 4.99 2dviA1 CYS 333 HB2 0.13 -0.03 0.04 -0.04 2.97 3.07 2dviA1 CYS 333 HB3 0.13 0.39 0.04 -0.04 2.97 3.48 2dviA1 GLN 334 H 0.06 0.61 0.28 -0.55 8.47 8.88 2dviA1 GLN 334 HA 0.06 0.08 0.55 -0.75 4.36 4.29 2dviA1 GLN 334 HB2 0.04 -0.00 0.08 -0.04 2.15 2.22 2dviA1 GLN 334 HB3 0.04 -0.02 0.10 -0.04 2.02 2.10 2dviA1 GLN 334 HG2 0.04 -0.06 -0.00 -0.04 2.40 2.34 2dviA1 GLN 334 HG3 0.04 0.39 0.17 -0.04 2.39 2.94 2dviA1 GLN 334 HE21 0.03 -0.06 -0.01 -0.04 6.97 6.90 2dviA1 GLN 334 HE22 0.04 0.07 -0.04 -0.04 7.69 7.71 2dviA1 ILE 335 H 0.11 0.41 -0.01 -0.55 8.25 8.20 2dviA1 ILE 335 HA 0.08 0.15 0.85 -0.75 4.18 4.52 2dviA1 ILE 335 HB 0.25 -0.03 0.15 -0.04 1.89 2.22 2dviA1 ILE 335 HG12 0.05 -0.01 -0.22 -0.04 1.49 1.27 2dviA1 ILE 335 HG13 -0.00 0.21 0.00 -0.04 1.21 1.37 2dviA1 ILE 335 HG23 0.11 -0.01 -0.23 -0.04 0.93 0.75 2dviA1 ILE 335 HD13 0.03 0.02 -0.14 -0.04 0.88 0.74 2dviA1 LYS 336 H 0.09 0.25 0.19 -0.55 8.42 8.40 2dviA1 LYS 336 HA 0.09 0.05 0.68 -0.75 4.32 4.38 2dviA1 LYS 336 HB2 0.06 0.03 0.08 -0.04 1.87 2.00 2dviA1 LYS 336 HB3 0.06 -0.09 0.09 -0.04 1.79 1.81 2dviA1 LYS 336 HG2 0.08 -0.10 -0.29 -0.04 1.46 1.12 2dviA1 LYS 336 HG3 0.08 0.09 -0.17 -0.04 1.46 1.41 2dviA1 LYS 336 HD2 0.06 0.46 -0.16 -0.04 1.69 2.00 2dviA1 LYS 336 HD3 0.05 -0.06 0.02 -0.04 1.68 1.66 2dviA1 LYS 336 HE2 0.05 -0.11 -0.01 -0.04 2.99 2.87 2dviA1 LYS 336 HE3 0.07 -0.00 -0.07 -0.04 2.99 2.94 2dviA1 GLU 337 H 0.11 0.13 -0.02 -0.55 8.60 8.27 2dviA1 GLU 337 HA 0.16 0.33 0.73 -0.75 4.29 4.76 2dviA1 GLU 337 HB2 0.07 0.07 -0.13 -0.04 2.09 2.06 2dviA1 GLU 337 HB3 0.06 -0.07 -0.02 -0.04 1.99 1.92 2dviA1 GLU 337 HG2 0.06 -0.02 -0.27 -0.04 2.34 2.07 2dviA1 GLU 337 HG3 0.08 0.09 0.03 -0.04 2.34 2.51 2dviA1 ILE 338 H 0.18 0.57 0.28 -0.55 8.25 8.73 2dviA1 ILE 338 HA 0.04 0.13 0.94 -0.75 4.18 4.53 2dviA1 ILE 338 HB -0.04 -0.01 -0.06 -0.04 1.89 1.73 2dviA1 ILE 338 HG12 -0.03 0.10 0.08 -0.04 1.49 1.61 2dviA1 ILE 338 HG13 -0.03 -0.08 0.17 -0.04 1.21 1.23 2dviA1 ILE 338 HG23 -0.02 0.06 -0.08 -0.04 0.93 0.86 2dviA1 ILE 338 HD13 -0.17 0.03 0.02 -0.04 0.88 0.72 2dviA1 SER 339 H 0.02 0.11 0.16 -0.55 8.46 8.19 2dviA1 SER 339 HA 0.03 0.03 0.45 -0.75 4.49 4.25 2dviA1 SER 339 HB2 -0.01 -0.13 0.16 -0.04 3.95 3.92 2dviA1 SER 339 HB3 -0.00 0.00 0.15 -0.04 3.93 4.04 2dviA1 ARG 340 H 0.03 0.06 0.19 -0.55 8.46 8.18 2dviA1 ARG 340 HA 0.08 0.11 0.46 -0.75 4.34 4.23 2dviA1 ARG 340 HB2 0.05 0.00 0.12 -0.04 1.90 2.03 2dviA1 ARG 340 HB3 0.04 -0.03 0.11 -0.04 1.80 1.87 2dviA1 ARG 340 HG2 0.07 -0.01 -0.04 -0.04 1.67 1.65 2dviA1 ARG 340 HG3 0.07 -0.07 0.08 -0.04 1.67 1.72 2dviA1 ARG 340 HD2 0.06 -0.03 -0.02 -0.04 3.22 3.18 2dviA1 ARG 340 HD3 0.05 -0.01 -0.02 -0.04 3.22 3.20 2dviA1 VAL 341 H -0.00 -0.05 -0.01 -0.55 8.24 7.63 2dviA1 VAL 341 HA 0.01 0.38 0.90 -0.75 4.13 4.67 2dviA1 VAL 341 HB -0.17 0.03 0.06 -0.04 2.12 2.00 2dviA1 VAL 341 HG13 -0.23 -0.02 -0.05 -0.04 0.97 0.63 2dviA1 VAL 341 HG23 -0.21 -0.03 -0.14 -0.04 0.95 0.53 2dviA1 PHE 342 H -0.18 0.55 0.40 -0.55 8.34 8.55 2dviA1 PHE 342 HA 0.09 0.07 0.50 -0.75 4.62 4.52 2dviA1 PHE 342 HB2 0.05 -0.01 0.08 -0.04 3.15 3.22 2dviA1 PHE 342 HB3 0.01 0.15 -0.21 -0.04 3.06 2.98 2dviA1 PHE 342 HD2 0.05 0.09 -0.38 -0.04 7.28 7.00 2dviA1 PHE 342 HE2 0.03 0.04 -0.47 -0.04 7.38 6.93 2dviA1 PHE 342 HZ 0.02 0.01 -0.15 -0.04 7.32 7.16 2dviA1 ARG 343 H 0.35 0.20 0.13 -0.55 8.46 8.59 2dviA1 ARG 343 HA 0.17 0.32 1.26 -0.75 4.34 5.34 2dviA1 ARG 343 HB2 0.30 0.02 -0.11 -0.04 1.90 2.06 2dviA1 ARG 343 HB3 0.21 -0.01 -0.10 -0.04 1.80 1.85 2dviA1 ARG 343 HG2 0.19 -0.05 0.07 -0.04 1.67 1.84 2dviA1 ARG 343 HG3 0.16 0.02 0.08 -0.04 1.67 1.89 2dviA1 ARG 343 HD2 0.06 -0.00 -0.08 -0.04 3.22 3.16 2dviA1 ARG 343 HD3 -0.05 0.01 -0.03 -0.04 3.22 3.10 2dviA1 ARG 344 H 0.17 0.76 0.35 -0.55 8.46 9.18 2dviA1 ARG 344 HA 0.32 0.12 0.86 -0.75 4.34 4.89 2dviA1 ARG 344 HB2 0.26 -0.02 0.00 -0.04 1.90 2.10 2dviA1 ARG 344 HB3 0.18 -0.03 0.08 -0.04 1.80 2.00 2dviA1 ARG 344 HG2 0.18 0.24 -0.26 -0.04 1.67 1.78 2dviA1 ARG 344 HG3 0.18 -0.04 0.04 -0.04 1.67 1.82 2dviA1 ARG 344 HD2 0.16 -0.03 -0.07 -0.04 3.22 3.24 2dviA1 ARG 344 HD3 0.16 0.02 -0.04 -0.04 3.22 3.31 2dviA1 MET 345 H 0.11 0.12 0.17 -0.55 8.47 8.33 2dviA1 MET 345 HA -1.16 0.06 0.55 -0.75 4.52 3.21 2dviA1 MET 345 HB2 -0.22 -0.02 0.12 -0.04 2.15 2.00 2dviA1 MET 345 HB3 -0.22 -0.04 0.12 -0.04 2.03 1.85 2dviA1 MET 345 HG2 -0.67 0.23 -0.09 -0.04 2.63 2.06 2dviA1 MET 345 HG3 -1.64 -0.01 0.06 -0.04 2.56 0.93 2dviA1 MET 345 HE3 -0.14 -0.02 -0.05 -0.04 2.10 1.86 2dviA1 GLY 346 H -1.07 0.53 0.33 -0.55 8.43 7.68 2dviA1 GLY 346 HA2 -0.84 0.13 0.78 -0.51 4.01 3.57 2dviA1 GLY 346 HA3 -1.41 -0.03 0.20 -0.51 4.01 2.26 2dviA1 PRO 347 HA -0.22 0.10 0.52 -0.51 4.44 4.33 2dviA1 PRO 347 HB2 -0.10 0.08 0.04 -0.04 2.28 2.25 2dviA1 PRO 347 HB3 -0.16 0.01 0.05 -0.04 2.02 1.88 2dviA1 PRO 347 HG2 -0.14 0.01 -0.14 -0.04 2.03 1.72 2dviA1 PRO 347 HG3 -0.18 0.01 -0.38 -0.04 2.03 1.44 2dviA1 PRO 347 HD2 -1.15 0.10 0.13 -0.04 3.68 2.72 2dviA1 PRO 347 HD3 -0.55 0.16 0.09 -0.04 3.65 3.31 2dviA1 GLN 348 H -0.11 0.07 0.20 -0.55 8.47 8.07 2dviA1 GLN 348 HA -0.05 0.22 0.76 -0.75 4.36 4.53 2dviA1 GLN 348 HB2 -0.14 -0.12 0.19 -0.04 2.15 2.04 2dviA1 GLN 348 HB3 -0.18 0.03 0.17 -0.04 2.02 2.00 2dviA1 GLN 348 HG2 -0.08 0.12 0.02 -0.04 2.40 2.42 2dviA1 GLN 348 HG3 -0.11 -0.03 0.11 -0.04 2.39 2.32 2dviA1 GLN 348 HE21 -0.05 -0.01 0.03 -0.04 6.97 6.90 2dviA1 GLN 348 HE22 -0.04 0.07 0.01 -0.04 7.69 7.70 2dviA1 PHE 349 H 0.21 0.60 0.26 -0.55 8.34 8.85 2dviA1 PHE 349 HA 0.32 0.06 0.20 -0.75 4.62 4.45 2dviA1 PHE 349 HB2 0.10 0.01 0.01 -0.04 3.15 3.23 2dviA1 PHE 349 HB3 -0.12 -0.01 -0.03 -0.04 3.06 2.85 2dviA1 PHE 349 HD2 -0.01 0.12 -0.06 -0.04 7.28 7.30 2dviA1 PHE 349 HE2 -0.01 0.00 -0.02 -0.04 7.38 7.31 2dviA1 PHE 349 HZ -0.01 0.00 -0.02 -0.04 7.32 7.25 2dviA1 GLU 350 H -0.61 -0.00 -0.60 -0.55 8.60 6.84 2dviA1 GLU 350 HA -0.41 0.05 0.33 -0.75 4.29 3.51 2dviA1 GLU 350 HB2 -0.24 -0.07 0.09 -0.04 2.09 1.83 2dviA1 GLU 350 HB3 -0.27 0.01 0.03 -0.04 1.99 1.72 2dviA1 GLU 350 HG2 -0.74 -0.07 0.02 -0.04 2.34 1.51 2dviA1 GLU 350 HG3 -0.33 0.03 0.04 -0.04 2.34 2.04 2dviA1 ASP 351 H -0.11 0.16 -0.02 -0.55 8.40 7.88 2dviA1 ASP 351 HA -0.04 0.09 0.71 -0.75 4.63 4.64 2dviA1 ASP 351 HB2 -0.04 -0.05 0.09 -0.04 2.71 2.67 2dviA1 ASP 351 HB3 -0.06 0.04 0.11 -0.04 2.70 2.75 2dviA1 GLU 352 H -0.00 0.24 0.25 -0.55 8.60 8.54 2dviA1 GLU 352 HA 0.02 0.14 0.38 -0.75 4.29 4.08 2dviA1 GLU 352 HB2 0.02 0.01 0.06 -0.04 2.09 2.13 2dviA1 GLU 352 HB3 0.05 0.14 0.12 -0.04 1.99 2.25 2dviA1 GLU 352 HG2 0.01 -0.02 0.16 -0.04 2.34 2.44 2dviA1 GLU 352 HG3 -0.00 -0.02 -0.07 -0.04 2.34 2.20 2dviA1 ARG 353 H -0.02 0.09 -0.11 -0.55 8.46 7.86 2dviA1 ARG 353 HA -0.02 0.10 0.37 -0.75 4.34 4.04 2dviA1 ARG 353 HB2 -0.02 0.02 0.11 -0.04 1.90 1.97 2dviA1 ARG 353 HB3 -0.02 -0.05 0.09 -0.04 1.80 1.77 2dviA1 ARG 353 HG2 -0.02 0.02 -0.18 -0.04 1.67 1.45 2dviA1 ARG 353 HG3 -0.02 0.02 0.02 -0.04 1.67 1.65 2dviA1 ARG 353 HD2 -0.02 -0.01 0.00 -0.04 3.22 3.15 2dviA1 ARG 353 HD3 -0.02 0.03 -0.02 -0.04 3.22 3.17 2dviA1 ASN 354 H -0.04 0.13 -0.18 -0.55 8.53 7.89 2dviA1 ASN 354 HA -0.03 0.09 0.47 -0.75 4.76 4.53 2dviA1 ASN 354 HB2 -0.06 0.06 0.08 -0.04 2.88 2.92 2dviA1 ASN 354 HB3 -0.06 0.05 0.01 -0.04 2.79 2.75 2dviA1 ASN 354 HD21 -0.04 0.03 0.01 -0.04 7.03 6.99 2dviA1 ASN 354 HD22 -0.05 -0.02 0.04 -0.04 7.74 7.68 2dviA1 VAL 355 H -0.05 0.28 -0.25 -0.55 8.24 7.67 2dviA1 VAL 355 HA -0.20 0.04 0.38 -0.75 4.13 3.60 2dviA1 VAL 355 HB -0.05 0.02 0.10 -0.04 2.12 2.15 2dviA1 VAL 355 HG13 -0.54 -0.00 -0.15 -0.04 0.97 0.23 2dviA1 VAL 355 HG23 0.10 0.07 -0.15 -0.04 0.95 0.93 2dviA1 LYS 356 H -0.07 0.70 -0.17 -0.55 8.42 8.33 2dviA1 LYS 356 HA -0.12 0.02 0.37 -0.75 4.32 3.84 2dviA1 LYS 356 HB2 -0.04 0.18 0.19 -0.04 1.87 2.16 2dviA1 LYS 356 HB3 -0.05 -0.04 -0.03 -0.04 1.79 1.63 2dviA1 LYS 356 HG2 -0.05 -0.03 0.01 -0.04 1.46 1.36 2dviA1 LYS 356 HG3 -0.04 0.08 0.04 -0.04 1.46 1.49 2dviA1 LYS 356 HD2 -0.02 -0.04 -0.04 -0.04 1.69 1.55 2dviA1 LYS 356 HD3 -0.02 -0.04 -0.05 -0.04 1.68 1.53 2dviA1 LYS 356 HE2 -0.03 0.03 -0.03 -0.04 2.99 2.92 2dviA1 LYS 356 HE3 -0.03 0.00 -0.02 -0.04 2.99 2.90 2dviA1 LYS 357 H -0.04 0.37 -0.11 -0.55 8.42 8.09 2dviA1 LYS 357 HA -0.04 0.02 0.41 -0.75 4.32 3.95 2dviA1 LYS 357 HB2 -0.00 0.06 0.16 -0.04 1.87 2.04 2dviA1 LYS 357 HB3 -0.01 -0.02 0.02 -0.04 1.79 1.74 2dviA1 LYS 357 HG2 -0.02 -0.02 0.03 -0.04 1.46 1.40 2dviA1 LYS 357 HG3 -0.02 0.16 0.09 -0.04 1.46 1.65 2dviA1 LYS 357 HD2 -0.02 -0.04 -0.03 -0.04 1.69 1.56 2dviA1 LYS 357 HD3 -0.01 -0.04 -0.03 -0.04 1.68 1.56 2dviA1 LYS 357 HE2 -0.01 0.03 -0.02 -0.04 2.99 2.96 2dviA1 LYS 357 HE3 -0.01 -0.00 -0.01 -0.04 2.99 2.93 2dviA1 PHE 358 H 0.06 0.62 -0.19 -0.55 8.34 8.27 2dviA1 PHE 358 HA -0.10 -0.00 0.37 -0.75 4.62 4.13 2dviA1 PHE 358 HB2 -0.14 0.01 0.13 -0.04 3.15 3.11 2dviA1 PHE 358 HB3 -0.28 0.10 0.16 -0.04 3.06 3.01 2dviA1 PHE 358 HD2 -0.20 0.01 -0.08 -0.04 7.28 6.96 2dviA1 PHE 358 HE2 -0.03 0.03 -0.24 -0.04 7.38 7.10 2dviA1 PHE 358 HZ -0.07 0.02 -0.28 -0.04 7.32 6.95 2dviA1 LEU 359 H -0.13 0.55 -0.12 -0.55 8.37 8.12 2dviA1 LEU 359 HA -0.29 0.08 0.56 -0.75 4.35 3.95 2dviA1 LEU 359 HB2 -0.22 0.03 0.05 -0.04 1.64 1.46 2dviA1 LEU 359 HB3 -0.24 -0.05 0.09 -0.04 1.64 1.40 2dviA1 LEU 359 HG -0.53 0.31 0.06 -0.04 1.64 1.44 2dviA1 LEU 359 HD13 -0.67 -0.03 -0.06 -0.04 0.93 0.12 2dviA1 LEU 359 HD23 -0.74 -0.02 -0.08 -0.04 0.89 0.01 2dviA1 SER 360 H -0.12 0.40 -0.27 -0.55 8.46 7.93 2dviA1 SER 360 HA -0.09 0.01 0.44 -0.75 4.49 4.10 2dviA1 SER 360 HB2 -0.06 -0.11 0.09 -0.04 3.95 3.84 2dviA1 SER 360 HB3 -0.07 0.03 0.09 -0.04 3.93 3.95 2dviA1 ARG 361 H -0.17 0.23 -0.56 -0.55 8.46 7.41 2dviA1 ARG 361 HA -0.09 -0.07 0.41 -0.75 4.34 3.84 2dviA1 ARG 361 HB2 -0.24 0.22 0.11 -0.04 1.90 1.95 2dviA1 ARG 361 HB3 -0.23 -0.04 -0.07 -0.04 1.80 1.43 2dviA1 ARG 361 HG2 -0.09 -0.05 0.03 -0.04 1.67 1.52 2dviA1 ARG 361 HG3 -0.13 -0.03 0.00 -0.04 1.67 1.47 2dviA1 ARG 361 HD2 -0.10 0.02 -0.11 -0.04 3.22 2.99 2dviA1 ARG 361 HD3 -0.07 -0.04 0.03 -0.04 3.22 3.09 2dviA1 ASN 362 H -0.06 0.06 0.18 -0.55 8.53 8.16 2dviA1 ASN 362 HA -0.06 0.07 0.51 -0.75 4.76 4.52 2dviA1 ASN 362 HB2 -0.04 -0.01 0.03 -0.04 2.88 2.82 2dviA1 ASN 362 HB3 -0.04 0.02 0.14 -0.04 2.79 2.87 2dviA1 ASN 362 HD21 -0.02 -0.02 0.05 -0.04 7.03 7.00 2dviA1 ASN 362 HD22 -0.03 0.00 0.01 -0.04 7.74 7.68 2dviA1 ARG 363 H -0.06 0.25 0.29 -0.55 8.46 8.39 2dviA1 ARG 363 HA -0.04 0.15 0.86 -0.75 4.34 4.56 2dviA1 ARG 363 HB2 -0.10 0.24 -0.15 -0.04 1.90 1.85 2dviA1 ARG 363 HB3 -0.02 -0.17 0.03 -0.04 1.80 1.60 2dviA1 ARG 363 HG2 0.04 -0.08 0.06 -0.04 1.67 1.65 2dviA1 ARG 363 HG3 0.01 -0.08 0.20 -0.04 1.67 1.75 2dviA1 ARG 363 HD2 -0.09 -0.02 -0.11 -0.04 3.22 2.96 2dviA1 ARG 363 HD3 -0.11 0.05 -0.08 -0.04 3.22 3.05 2dviA1 ALA 364 H -0.01 0.17 0.18 -0.55 8.40 8.19 2dviA1 ALA 364 HA -0.17 0.21 0.76 -0.75 4.34 4.39 2dviA1 ALA 364 HB3 -0.26 0.01 0.07 -0.04 1.41 1.18 2dviA1 PHE 365 H 0.16 0.02 -0.00 -0.55 8.34 7.95 2dviA1 PHE 365 HA 0.07 0.32 1.21 -0.75 4.62 5.47 2dviA1 PHE 365 HB2 0.24 -0.02 0.04 -0.04 3.15 3.36 2dviA1 PHE 365 HB3 0.26 0.06 0.10 -0.04 3.06 3.44 2dviA1 PHE 365 HD2 0.03 0.02 -0.04 -0.04 7.28 7.25 2dviA1 PHE 365 HE2 -0.04 -0.02 -0.06 -0.04 7.38 7.23 2dviA1 PHE 365 HZ -0.05 -0.03 -0.04 -0.04 7.32 7.17 2dviA1 ARG 366 H 0.13 -0.01 -0.05 -0.55 8.46 7.98 2dviA1 ARG 366 HA 0.11 0.06 0.43 -0.75 4.34 4.19 2dviA1 ARG 366 HB2 0.12 -0.07 -0.15 -0.04 1.90 1.75 2dviA1 ARG 366 HB3 0.21 0.41 0.41 -0.04 1.80 2.79 2dviA1 ARG 366 HG2 0.15 -0.09 0.00 -0.04 1.67 1.69 2dviA1 ARG 366 HG3 0.23 0.08 -0.18 -0.04 1.67 1.76 2dviA1 ARG 366 HD2 0.13 0.06 0.12 -0.04 3.22 3.50 2dviA1 ARG 366 HD3 0.09 -0.06 0.04 -0.04 3.22 3.24 2dviA1 PRO 367 HA 0.22 0.01 0.68 -0.51 4.44 4.85 2dviA1 PRO 367 HB2 0.55 0.02 0.04 -0.04 2.28 2.85 2dviA1 PRO 367 HB3 0.17 -0.05 0.09 -0.04 2.02 2.20 2dviA1 PRO 367 HG2 0.11 -0.00 0.08 -0.04 2.03 2.18 2dviA1 PRO 367 HG3 -0.09 0.08 0.05 -0.04 2.03 2.03 2dviA1 PRO 367 HD2 0.06 0.10 0.26 -0.04 3.68 4.06 2dviA1 PRO 367 HD3 0.01 0.08 0.18 -0.04 3.65 3.88 2dviA1 PHE 368 H -0.27 0.36 0.32 -0.55 8.34 8.19 2dviA1 PHE 368 HA 0.13 0.18 0.91 -0.75 4.62 5.09 2dviA1 PHE 368 HB2 -0.01 -0.01 0.11 -0.04 3.15 3.19 2dviA1 PHE 368 HB3 0.06 0.08 -0.03 -0.04 3.06 3.14 2dviA1 PHE 368 HD2 -0.10 0.10 -0.20 -0.04 7.28 7.03 2dviA1 PHE 368 HE2 -0.94 -0.03 -0.20 -0.04 7.38 6.17 2dviA1 PHE 368 HZ -0.42 -0.01 -0.16 -0.04 7.32 6.68 2dviA1 ILE 369 H -0.03 0.18 0.18 -0.55 8.25 8.03 2dviA1 ILE 369 HA -0.41 0.29 0.85 -0.75 4.18 4.17 2dviA1 ILE 369 HB -0.35 -0.00 0.08 -0.04 1.89 1.58 2dviA1 ILE 369 HG12 -1.91 0.02 -0.22 -0.04 1.49 -0.66 2dviA1 ILE 369 HG13 -1.73 0.01 -0.23 -0.04 1.21 -0.78 2dviA1 ILE 369 HG23 -0.31 -0.02 -0.23 -0.04 0.93 0.33 2dviA1 ILE 369 HD13 -0.61 -0.00 -0.08 -0.04 0.88 0.15 2dviA1 GLU 370 H 0.11 0.65 0.15 -0.55 8.60 8.97 2dviA1 GLU 370 HA 0.05 0.05 0.67 -0.75 4.29 4.30 2dviA1 GLU 370 HB2 0.21 0.07 -0.20 -0.04 2.09 2.13 2dviA1 GLU 370 HB3 -0.00 0.05 0.00 -0.04 1.99 2.01 2dviA1 GLU 370 HG2 -0.01 -0.00 -0.23 -0.04 2.34 2.05 2dviA1 GLU 370 HG3 -0.03 -0.01 0.01 -0.04 2.34 2.27 2dviA1 ASN 371 H 0.02 0.16 0.11 -0.55 8.53 8.28 2dviA1 ASN 371 HA 0.04 0.03 0.34 -0.75 4.76 4.42 2dviA1 ASN 371 HB2 0.17 0.25 -0.10 -0.04 2.88 3.15 2dviA1 ASN 371 HB3 0.10 0.01 0.25 -0.04 2.79 3.11 2dviA1 ASN 371 HD21 0.01 0.02 0.01 -0.04 7.03 7.04 2dviA1 ASN 371 HD22 0.03 -0.00 0.06 -0.04 7.74 7.79 2dviA1 GLY 372 H -0.00 0.05 -0.15 -0.55 8.43 7.78 2dviA1 GLY 372 HA2 0.15 -0.01 0.29 -0.51 4.01 3.93 2dviA1 GLY 372 HA3 0.18 0.17 0.60 -0.51 4.01 4.45 2dviA1 ARG 373 H 0.06 0.28 -0.37 -0.55 8.46 7.88 2dviA1 ARG 373 HA -0.05 0.01 0.96 -0.75 4.34 4.50 2dviA1 ARG 373 HB2 -0.28 0.21 -0.18 -0.04 1.90 1.61 2dviA1 ARG 373 HB3 -0.07 -0.08 -0.25 -0.04 1.80 1.36 2dviA1 ARG 373 HG2 0.19 0.08 -0.05 -0.04 1.67 1.86 2dviA1 ARG 373 HG3 -0.63 0.08 -0.23 -0.04 1.67 0.85 2dviA1 ARG 373 HD2 -0.01 -0.05 -0.06 -0.04 3.22 3.06 2dviA1 ARG 373 HD3 -0.14 -0.03 -0.04 -0.04 3.22 2.97 2dviA1 TRP 374 H -0.04 0.63 0.13 -0.55 7.97 8.14 2dviA1 TRP 374 HA -0.13 0.18 0.71 -0.75 4.62 4.63 2dviA1 TRP 374 HB2 -0.50 -0.01 0.05 -0.04 3.23 2.74 2dviA1 TRP 374 HB3 -0.15 0.06 -0.02 -0.04 3.23 3.08 2dviA1 TRP 374 HD1 -0.07 0.05 -0.23 -0.04 7.22 6.93 2dviA1 TRP 374 HE1 0.08 -0.01 -0.09 -0.04 10.20 10.13 2dviA1 TRP 374 HE3 0.06 0.08 -0.22 -0.04 7.59 7.46 2dviA1 TRP 374 HZ2 0.05 -0.03 -0.08 -0.04 7.44 7.34 2dviA1 TRP 374 HZ3 0.08 0.27 -0.23 -0.04 7.13 7.21 2dviA1 TRP 374 HH2 0.05 -0.00 -0.07 -0.04 7.19 7.13 2dviA1 TRP 375 H -0.01 0.63 0.40 -0.55 7.97 8.44 2dviA1 TRP 375 HA -0.14 0.21 0.79 -0.75 4.62 4.73 2dviA1 TRP 375 HB2 -1.75 -0.05 -0.05 -0.04 3.23 1.33 2dviA1 TRP 375 HB3 -0.48 -0.02 -0.06 -0.04 3.23 2.63 2dviA1 TRP 375 HD1 -0.30 -0.01 -0.18 -0.04 7.22 6.68 2dviA1 TRP 375 HE1 -0.07 0.20 -0.01 -0.04 10.20 10.28 2dviA1 TRP 375 HE3 -0.02 0.02 -0.44 -0.04 7.59 7.11 2dviA1 TRP 375 HZ2 -0.02 -0.01 -0.04 -0.04 7.44 7.34 2dviA1 TRP 375 HZ3 0.03 0.03 -0.09 -0.04 7.13 7.06 2dviA1 TRP 375 HH2 0.01 -0.01 -0.02 -0.04 7.19 7.13 2dviA1 ALA 376 H 0.22 0.58 0.26 -0.55 8.40 8.91 2dviA1 ALA 376 HA 0.01 0.10 0.86 -0.75 4.34 4.55 2dviA1 ALA 376 HB3 0.01 0.03 -0.08 -0.04 1.41 1.33 2dviA1 PHE 377 H 0.17 0.17 0.05 -0.55 8.34 8.18 2dviA1 PHE 377 HA -0.01 0.28 0.85 -0.75 4.62 4.99 2dviA1 PHE 377 HB2 0.11 -0.06 0.11 -0.04 3.15 3.27 2dviA1 PHE 377 HB3 -0.11 0.02 0.00 -0.04 3.06 2.93 2dviA1 PHE 377 HD2 0.05 0.09 -0.12 -0.04 7.28 7.27 2dviA1 PHE 377 HE2 -0.10 0.02 -0.09 -0.04 7.38 7.17 2dviA1 PHE 377 HZ -0.34 -0.01 -0.07 -0.04 7.32 6.86 2dviA1 GLU 378 H -0.42 0.65 0.39 -0.55 8.60 8.68 2dviA1 GLU 378 HA -0.12 0.11 0.87 -0.75 4.29 4.40 2dviA1 GLU 378 HB2 -0.40 -0.02 -0.08 -0.04 2.09 1.55 2dviA1 GLU 378 HB3 -1.59 0.03 -0.11 -0.04 1.99 0.28 2dviA1 GLU 378 HG2 0.05 0.01 -0.03 -0.04 2.34 2.33 2dviA1 GLU 378 HG3 -0.04 0.01 0.10 -0.04 2.34 2.37 2dviA1 MET 379 H -0.04 0.15 0.16 -0.55 8.47 8.19 2dviA1 MET 379 HA 0.05 0.29 0.96 -0.75 4.52 5.07 2dviA1 MET 379 HB2 0.05 -0.04 0.09 -0.04 2.15 2.21 2dviA1 MET 379 HB3 0.07 0.12 0.01 -0.04 2.03 2.19 2dviA1 MET 379 HG2 0.10 -0.10 -0.16 -0.04 2.63 2.43 2dviA1 MET 379 HG3 0.08 -0.00 -0.04 -0.04 2.56 2.55 2dviA1 MET 379 HE3 0.14 -0.00 -0.05 -0.04 2.10 2.14 2dviA1 ARG 380 H 0.18 0.78 0.33 -0.55 8.46 9.20 2dviA1 ARG 380 HA 0.10 0.06 0.57 -0.75 4.34 4.31 2dviA1 ARG 380 HB2 0.04 -0.00 0.05 -0.04 1.90 1.95 2dviA1 ARG 380 HB3 -0.19 -0.14 0.11 -0.04 1.80 1.54 2dviA1 ARG 380 HG2 -0.18 -0.08 -0.04 -0.04 1.67 1.33 2dviA1 ARG 380 HG3 0.27 0.14 -0.10 -0.04 1.67 1.94 2dviA1 ARG 380 HD2 0.00 0.18 -0.03 -0.04 3.22 3.33 2dviA1 ARG 380 HD3 -0.10 0.03 0.05 -0.04 3.22 3.17 2dviA1 LYS 381 H -0.45 0.13 0.17 -0.55 8.42 7.72 2dviA1 LYS 381 HA -0.03 0.18 0.72 -0.75 4.32 4.44 2dviA1 LYS 381 HB2 -0.31 -0.01 0.05 -0.04 1.87 1.56 2dviA1 LYS 381 HB3 0.01 -0.01 0.10 -0.04 1.79 1.85 2dviA1 LYS 381 HG2 -0.08 0.01 0.00 -0.04 1.46 1.35 2dviA1 LYS 381 HG3 0.01 -0.00 -0.00 -0.04 1.46 1.42 2dviA1 LYS 381 HD2 0.02 -0.03 -0.03 -0.04 1.69 1.61 2dviA1 LYS 381 HD3 -0.00 0.11 -0.38 -0.04 1.68 1.37 2dviA1 LYS 381 HE2 0.04 0.06 -0.05 -0.04 2.99 3.00 2dviA1 LYS 381 HE3 0.03 -0.04 -0.03 -0.04 2.99 2.92 2dviA1 PHE 382 H -0.53 0.17 -0.01 -0.55 8.34 7.43 2dviA1 PHE 382 HA 0.09 0.11 0.55 -0.75 4.62 4.61 2dviA1 PHE 382 HB2 0.10 -0.14 -0.08 -0.04 3.15 2.99 2dviA1 PHE 382 HB3 0.09 0.15 -0.13 -0.04 3.06 3.12 2dviA1 PHE 382 HD2 0.24 0.07 -0.21 -0.04 7.28 7.35 2dviA1 PHE 382 HE2 0.21 0.07 -0.04 -0.04 7.38 7.58 2dviA1 PHE 382 HZ 0.31 0.05 -0.03 -0.04 7.32 7.61 2dviA1 THR 383 H 0.23 0.10 0.09 -0.55 8.28 8.15 2dviA1 THR 383 HA 0.27 0.33 0.90 -0.75 4.39 5.13 2dviA1 THR 383 HB 0.12 0.28 0.19 -0.04 4.32 4.87 2dviA1 THR 383 HG23 0.10 0.00 -0.22 -0.04 1.22 1.06 2dviA1 THR 384 H 0.19 0.03 0.02 -0.55 8.28 7.98 2dviA1 THR 384 HA 0.10 0.40 0.86 -0.75 4.39 5.00 2dviA1 THR 384 HB -0.06 0.18 0.19 -0.04 4.32 4.59 2dviA1 THR 384 HG23 0.05 0.02 -0.10 -0.04 1.22 1.15 2dviA1 PRO 385 HA -1.50 0.10 0.37 -0.51 4.44 2.90 2dviA1 PRO 385 HB2 -0.20 -0.04 -0.01 -0.04 2.28 1.99 2dviA1 PRO 385 HB3 -0.17 0.05 0.01 -0.04 2.02 1.87 2dviA1 PRO 385 HG2 0.02 0.13 0.14 -0.04 2.03 2.28 2dviA1 PRO 385 HG3 -0.23 0.11 0.07 -0.04 2.03 1.94 2dviA1 PRO 385 HD2 -0.13 0.07 0.22 -0.04 3.68 3.81 2dviA1 PRO 385 HD3 -0.02 0.23 -0.04 -0.04 3.65 3.78 2dviA1 GLU 386 H -0.45 0.20 -0.16 -0.55 8.60 7.63 2dviA1 GLU 386 HA -0.85 0.09 0.34 -0.75 4.29 3.12 2dviA1 GLU 386 HB2 -0.25 -0.01 0.01 -0.04 2.09 1.81 2dviA1 GLU 386 HB3 -0.29 0.04 -0.04 -0.04 1.99 1.66 2dviA1 GLU 386 HG2 -0.22 0.02 -0.08 -0.04 2.34 2.02 2dviA1 GLU 386 HG3 -1.04 0.01 -0.10 -0.04 2.34 1.17 2dviA1 GLU 387 H -0.23 0.08 -0.32 -0.55 8.60 7.59 2dviA1 GLU 387 HA -0.09 0.09 0.38 -0.75 4.29 3.91 2dviA1 GLU 387 HB2 -0.01 -0.02 0.15 -0.04 2.09 2.17 2dviA1 GLU 387 HB3 0.10 0.07 -0.02 -0.04 1.99 2.10 2dviA1 GLU 387 HG2 0.02 0.07 0.05 -0.04 2.34 2.44 2dviA1 GLU 387 HG3 -0.03 -0.03 0.02 -0.04 2.34 2.26 2dviA1 GLY 388 H -0.48 0.46 -0.21 -0.55 8.43 7.67 2dviA1 GLY 388 HA2 -1.33 0.05 0.37 -0.51 4.01 2.59 2dviA1 GLY 388 HA3 -0.92 0.12 0.22 -0.51 4.01 2.92 2dviA1 VAL 389 H -0.34 0.56 -0.13 -0.55 8.24 7.78 2dviA1 VAL 389 HA -0.27 0.02 0.39 -0.75 4.13 3.51 2dviA1 VAL 389 HB -0.31 0.05 0.05 -0.04 2.12 1.87 2dviA1 VAL 389 HG13 -0.04 -0.01 -0.17 -0.04 0.97 0.71 2dviA1 VAL 389 HG23 -0.11 0.04 -0.05 -0.04 0.95 0.80 2dviA1 ARG 390 H -0.15 0.51 -0.29 -0.55 8.46 7.98 2dviA1 ARG 390 HA 0.26 0.01 0.28 -0.75 4.34 4.14 2dviA1 ARG 390 HB2 -0.01 0.00 0.10 -0.04 1.90 1.95 2dviA1 ARG 390 HB3 -0.02 0.14 0.11 -0.04 1.80 1.99 2dviA1 ARG 390 HG2 0.11 0.02 -0.11 -0.04 1.67 1.64 2dviA1 ARG 390 HG3 0.01 -0.05 0.01 -0.04 1.67 1.60 2dviA1 ARG 390 HD2 0.02 0.04 -0.06 -0.04 3.22 3.18 2dviA1 ARG 390 HD3 -0.01 -0.01 -0.04 -0.04 3.22 3.13 2dviA1 SER 391 H -0.10 0.33 -0.39 -0.55 8.46 7.75 2dviA1 SER 391 HA 0.05 0.05 0.43 -0.75 4.49 4.26 2dviA1 SER 391 HB2 0.10 0.01 0.08 -0.04 3.95 4.10 2dviA1 SER 391 HB3 -0.06 0.12 0.17 -0.04 3.93 4.12 2dviA1 TYR 392 H -0.26 0.71 0.01 -0.55 8.29 8.20 2dviA1 TYR 392 HA -0.48 0.00 0.39 -0.75 4.56 3.72 2dviA1 TYR 392 HB2 -1.69 0.04 0.06 -0.04 3.06 1.43 2dviA1 TYR 392 HB3 -0.75 0.00 0.15 -0.04 2.98 2.33 2dviA1 TYR 392 HD2 -0.68 -0.00 -0.09 -0.04 7.15 6.34 2dviA1 TYR 392 HE2 -0.26 -0.01 -0.17 -0.04 6.85 6.36 2dviA1 ALA 393 H -0.22 0.76 -0.06 -0.55 8.40 8.34 2dviA1 ALA 393 HA -0.39 -0.03 0.19 -0.75 4.34 3.36 2dviA1 ALA 393 HB3 -0.73 0.01 -0.02 -0.04 1.41 0.63 2dviA1 SER 394 H -0.02 0.27 -0.68 -0.55 8.46 7.48 2dviA1 SER 394 HA 0.24 0.15 0.61 -0.75 4.49 4.73 2dviA1 SER 394 HB2 0.12 0.09 0.15 -0.04 3.95 4.26 2dviA1 SER 394 HB3 0.15 -0.08 0.02 -0.04 3.93 3.97 2dviA1 THR 395 H 0.02 0.42 -0.00 -0.55 8.28 8.17 2dviA1 THR 395 HA 0.16 0.18 0.90 -0.75 4.39 4.88 2dviA1 THR 395 HB 0.09 -0.07 0.07 -0.04 4.32 4.37 2dviA1 THR 395 HG23 0.10 0.00 -0.02 -0.04 1.22 1.26 2dviA1 HIS 396 H -0.16 0.72 0.04 -0.55 8.41 8.46 2dviA1 HIS 396 HA -0.44 0.18 0.96 -0.75 4.63 4.57 2dviA1 HIS 396 HB2 -1.27 0.13 -0.01 -0.04 3.26 2.08 2dviA1 HIS 396 HB3 -0.52 -0.10 0.12 -0.04 3.20 2.65 2dviA1 HIS 396 HD2 0.02 -0.02 -0.03 -0.04 6.97 6.89 2dviA1 HIS 396 HE1 0.02 -0.00 -0.07 -0.04 7.75 7.66 2dviA1 TRP 397 H -0.16 0.28 -0.44 -0.55 7.97 7.11 2dviA1 TRP 397 HA -0.23 0.04 0.31 -0.75 4.62 3.99 2dviA1 TRP 397 HB2 -0.14 0.19 0.02 -0.04 3.23 3.26 2dviA1 TRP 397 HB3 -0.16 0.32 0.02 -0.04 3.23 3.37 2dviA1 TRP 397 HD1 -0.05 0.32 -0.22 -0.04 7.22 7.23 2dviA1 TRP 397 HE1 -0.02 0.03 0.01 -0.04 10.20 10.17 2dviA1 TRP 397 HE3 -0.06 0.03 -0.69 -0.04 7.59 6.84 2dviA1 TRP 397 HZ2 -0.01 -0.00 -0.02 -0.04 7.44 7.37 2dviA1 TRP 397 HZ3 0.06 -0.04 -0.14 -0.04 7.13 6.97 2dviA1 TRP 397 HH2 0.06 -0.03 -0.04 -0.04 7.19 7.14 2dviA1 HIS 398 H -1.54 0.14 -0.43 -0.55 8.41 6.04 2dviA1 HIS 398 HA -0.48 0.08 0.22 -0.75 4.63 3.70 2dviA1 HIS 398 HB2 -1.90 0.03 0.00 -0.04 3.26 1.35 2dviA1 HIS 398 HB3 -0.83 0.03 -0.05 -0.04 3.20 2.31 2dviA1 HIS 398 HD2 -0.11 0.02 -0.02 -0.04 6.97 6.82 2dviA1 HIS 398 HE1 -0.11 -0.02 -0.05 -0.04 7.75 7.53 2dviA1 THR 399 H -0.29 0.47 -0.46 -0.55 8.28 7.45 2dviA1 THR 399 HA -0.16 0.09 0.64 -0.75 4.39 4.21 2dviA1 THR 399 HB -0.09 -0.04 0.01 -0.04 4.32 4.15 2dviA1 THR 399 HG23 -0.01 0.12 -0.09 -0.04 1.22 1.20 2dviA1 LEU 400 H -0.15 0.55 -0.50 -0.55 8.37 7.72 2dviA1 LEU 400 HA -0.05 0.15 0.70 -0.75 4.35 4.40 2dviA1 LEU 400 HB2 -0.10 0.12 0.08 -0.04 1.64 1.69 2dviA1 LEU 400 HB3 -0.11 -0.10 0.12 -0.04 1.64 1.52 2dviA1 LEU 400 HG -0.16 0.14 -0.08 -0.04 1.64 1.50 2dviA1 LEU 400 HD13 -0.19 -0.01 -0.08 -0.04 0.93 0.61 2dviA1 LEU 400 HD23 0.01 0.00 -0.24 -0.04 0.89 0.62 2dviA1 GLY 401 H -0.12 0.18 -0.52 -0.55 8.43 7.43 2dviA1 GLY 401 HA2 -0.08 0.00 0.35 -0.51 4.01 3.77 2dviA1 GLY 401 HA3 -0.07 0.12 0.77 -0.51 4.01 4.31 2dviA1 LYS 402 H -0.07 0.15 0.12 -0.55 8.42 8.07 2dviA1 LYS 402 HA -0.09 0.16 0.36 -0.75 4.32 4.01 2dviA1 LYS 402 HB2 -0.05 0.04 0.15 -0.04 1.87 1.98 2dviA1 LYS 402 HB3 -0.03 -0.09 0.16 -0.04 1.79 1.79 2dviA1 LYS 402 HG2 -0.00 0.00 -0.01 -0.04 1.46 1.41 2dviA1 LYS 402 HG3 -0.00 0.02 -0.23 -0.04 1.46 1.21 2dviA1 LYS 402 HD2 0.00 0.03 0.05 -0.04 1.69 1.73 2dviA1 LYS 402 HD3 -0.02 0.01 0.04 -0.04 1.68 1.67 2dviA1 LYS 402 HE2 0.04 0.02 0.00 -0.04 2.99 3.02 2dviA1 LYS 402 HE3 0.02 -0.01 0.00 -0.04 2.99 2.96 2dviA1 ASN 403 H -0.03 0.04 -0.06 -0.55 8.53 7.94 2dviA1 ASN 403 HA 0.01 0.20 0.70 -0.75 4.76 4.92 2dviA1 ASN 403 HB2 -0.01 -0.01 0.03 -0.04 2.88 2.85 2dviA1 ASN 403 HB3 0.01 0.05 -0.03 -0.04 2.79 2.77 2dviA1 ASN 403 HD21 -0.00 0.02 -0.07 -0.04 7.03 6.94 2dviA1 ASN 403 HD22 0.00 0.06 -0.05 -0.04 7.74 7.71 2dviA1 VAL 404 H -0.03 0.01 -0.07 -0.55 8.24 7.61 2dviA1 VAL 404 HA 0.03 0.10 0.41 -0.75 4.13 3.91 2dviA1 VAL 404 HB -0.07 0.09 0.12 -0.04 2.12 2.21 2dviA1 VAL 404 HG13 -0.31 0.02 -0.13 -0.04 0.97 0.51 2dviA1 VAL 404 HG23 0.06 -0.03 -0.03 -0.04 0.95 0.91 2dviA1 GLY 405 H -0.05 0.36 -0.53 -0.55 8.43 7.67 2dviA1 GLY 405 HA2 -0.03 0.04 0.36 -0.51 4.01 3.86 2dviA1 GLY 405 HA3 0.05 0.23 0.12 -0.51 4.01 3.91 2dviA1 GLU 406 H 0.05 0.25 -0.30 -0.55 8.60 8.06 2dviA1 GLU 406 HA -0.07 0.06 0.47 -0.75 4.29 3.99 2dviA1 GLU 406 HB2 0.02 0.05 0.16 -0.04 2.09 2.28 2dviA1 GLU 406 HB3 -0.03 -0.04 0.03 -0.04 1.99 1.91 2dviA1 GLU 406 HG2 0.15 -0.05 0.03 -0.04 2.34 2.43 2dviA1 GLU 406 HG3 0.17 0.10 0.09 -0.04 2.34 2.66 2dviA1 SER 407 H -0.01 0.41 -0.25 -0.55 8.46 8.06 2dviA1 SER 407 HA 0.02 0.00 0.44 -0.75 4.49 4.21 2dviA1 SER 407 HB2 0.08 -0.06 0.08 -0.04 3.95 4.01 2dviA1 SER 407 HB3 0.07 0.09 0.14 -0.04 3.93 4.19 2dviA1 ILE 408 H -0.16 0.42 -0.19 -0.55 8.25 7.77 2dviA1 ILE 408 HA -0.06 0.19 0.37 -0.75 4.18 3.93 2dviA1 ILE 408 HB -0.21 0.09 0.12 -0.04 1.89 1.85 2dviA1 ILE 408 HG12 -0.69 -0.06 -0.04 -0.04 1.49 0.67 2dviA1 ILE 408 HG13 -1.06 0.07 0.05 -0.04 1.21 0.22 2dviA1 ILE 408 HG23 -0.34 -0.02 -0.14 -0.04 0.93 0.39 2dviA1 ILE 408 HD13 -0.76 -0.03 -0.08 -0.04 0.88 -0.03 2dviA1 ARG 409 H -0.17 0.18 -0.60 -0.55 8.46 7.31 2dviA1 ARG 409 HA -0.49 0.06 0.41 -0.75 4.34 3.57 2dviA1 ARG 409 HB2 -1.22 0.05 0.12 -0.04 1.90 0.80 2dviA1 ARG 409 HB3 -0.59 0.20 0.17 -0.04 1.80 1.54 2dviA1 ARG 409 HG2 -0.73 0.00 -0.10 -0.04 1.67 0.80 2dviA1 ARG 409 HG3 -2.22 -0.02 0.03 -0.04 1.67 -0.58 2dviA1 ARG 409 HD2 -0.82 -0.05 -0.02 -0.04 3.22 2.30 2dviA1 ARG 409 HD3 -1.89 -0.05 -0.01 -0.04 3.22 1.23 2dviA1 GLU 410 H -0.13 0.37 -0.13 -0.55 8.60 8.16 2dviA1 GLU 410 HA -0.08 0.04 0.52 -0.75 4.29 4.01 2dviA1 GLU 410 HB2 0.00 -0.08 0.11 -0.04 2.09 2.08 2dviA1 GLU 410 HB3 -0.08 -0.07 0.10 -0.04 1.99 1.91 2dviA1 GLU 410 HG2 -0.03 0.19 0.30 -0.04 2.34 2.75 2dviA1 GLU 410 HG3 0.08 0.08 0.05 -0.04 2.34 2.50 2dviA1 TYR 411 H 0.06 0.33 -0.45 -0.55 8.29 7.68 2dviA1 TYR 411 HA -0.01 0.01 0.33 -0.75 4.56 4.13 2dviA1 TYR 411 HB2 -0.00 0.12 0.32 -0.04 3.06 3.46 2dviA1 TYR 411 HB3 0.04 -0.09 -0.26 -0.04 2.98 2.63 2dviA1 TYR 411 HD2 0.05 -0.03 -0.02 -0.04 7.15 7.11 2dviA1 TYR 411 HE2 0.10 -0.07 -0.18 -0.04 6.85 6.66 2dviA1 PHE 412 H -0.48 0.30 0.24 -0.55 8.34 7.85 2dviA1 PHE 412 HA -0.73 0.27 0.68 -0.75 4.62 4.09 2dviA1 PHE 412 HB2 -0.12 -0.04 0.10 -0.04 3.15 3.05 2dviA1 PHE 412 HB3 -0.20 0.13 -0.20 -0.04 3.06 2.75 2dviA1 PHE 412 HD2 -0.09 0.15 -0.18 -0.04 7.28 7.12 2dviA1 PHE 412 HE2 -0.05 -0.04 -0.20 -0.04 7.38 7.05 2dviA1 PHE 412 HZ -0.06 0.14 0.00 -0.04 7.32 7.36 2dviA1 GLU 413 H 0.02 0.50 0.39 -0.55 8.60 8.97 2dviA1 GLU 413 HA -0.33 0.15 0.69 -0.75 4.29 4.05 2dviA1 GLU 413 HB2 -0.05 -0.02 0.05 -0.04 2.09 2.03 2dviA1 GLU 413 HB3 -0.08 0.10 -0.12 -0.04 1.99 1.84 2dviA1 GLU 413 HG2 -0.05 0.05 -0.04 -0.04 2.34 2.26 2dviA1 GLU 413 HG3 0.01 -0.07 -0.24 -0.04 2.34 2.00 2dviA1 ILE 414 H -0.01 0.19 0.14 -0.55 8.25 8.02 2dviA1 ILE 414 HA 0.17 0.39 1.09 -0.75 4.18 5.08 2dviA1 ILE 414 HB -0.01 -0.03 0.16 -0.04 1.89 1.97 2dviA1 ILE 414 HG12 0.14 0.06 -0.10 -0.04 1.49 1.55 2dviA1 ILE 414 HG13 0.25 -0.03 -0.17 -0.04 1.21 1.22 2dviA1 ILE 414 HG23 -0.05 -0.03 -0.18 -0.04 0.93 0.63 2dviA1 ILE 414 HD13 -0.10 -0.05 -0.04 -0.04 0.88 0.65 2dviA1 ILE 415 H 0.14 0.55 0.27 -0.55 8.25 8.66 2dviA1 ILE 415 HA 0.03 0.09 0.76 -0.75 4.18 4.31 2dviA1 ILE 415 HB 0.08 -0.03 0.10 -0.04 1.89 2.01 2dviA1 ILE 415 HG12 0.07 0.01 -0.16 -0.04 1.49 1.37 2dviA1 ILE 415 HG13 0.08 0.00 -0.08 -0.04 1.21 1.17 2dviA1 ILE 415 HG23 -0.01 0.01 -0.24 -0.04 0.93 0.65 2dviA1 ILE 415 HD13 0.01 0.02 -0.13 -0.04 0.88 0.74 2dviA1 SER 416 H 0.01 0.15 0.14 -0.55 8.46 8.22 2dviA1 SER 416 HA 0.04 0.30 0.96 -0.75 4.49 5.04 2dviA1 SER 416 HB2 0.05 0.01 -0.12 -0.04 3.95 3.84 2dviA1 SER 416 HB3 0.02 -0.01 0.02 -0.04 3.93 3.92 2dviA1 GLY 417 H 0.03 0.22 0.18 -0.55 8.43 8.31 2dviA1 GLY 417 HA2 0.09 0.13 0.37 -0.51 4.01 4.09 2dviA1 GLY 417 HA3 0.06 -0.04 0.39 -0.51 4.01 3.91 2dviA1 GLU 418 H 0.09 0.13 0.18 -0.55 8.60 8.45 2dviA1 GLU 418 HA 0.31 0.08 0.39 -0.75 4.29 4.32 2dviA1 GLU 418 HB2 0.07 -0.02 0.12 -0.04 2.09 2.22 2dviA1 GLU 418 HB3 0.10 0.04 0.06 -0.04 1.99 2.15 2dviA1 GLU 418 HG2 0.06 0.05 0.06 -0.04 2.34 2.47 2dviA1 GLU 418 HG3 0.11 0.02 0.10 -0.04 2.34 2.53 2dviA1 LYS 419 H 0.03 0.12 -0.03 -0.55 8.42 7.98 2dviA1 LYS 419 HA 0.03 0.06 0.38 -0.75 4.32 4.03 2dviA1 LYS 419 HB2 0.00 0.04 0.09 -0.04 1.87 1.97 2dviA1 LYS 419 HB3 0.00 0.01 0.01 -0.04 1.79 1.78 2dviA1 LYS 419 HG2 0.02 0.02 0.03 -0.04 1.46 1.49 2dviA1 LYS 419 HG3 0.02 -0.05 0.05 -0.04 1.46 1.44 2dviA1 LYS 419 HD2 0.01 0.00 0.02 -0.04 1.69 1.68 2dviA1 LYS 419 HD3 0.01 0.01 0.00 -0.04 1.68 1.66 2dviA1 LYS 419 HE2 0.01 0.02 -0.00 -0.04 2.99 2.97 2dviA1 LYS 419 HE3 0.01 0.01 -0.00 -0.04 2.99 2.97 2dviA1 LEU 420 H -0.14 0.50 -0.50 -0.55 8.37 7.68 2dviA1 LEU 420 HA -0.11 0.01 0.34 -0.75 4.35 3.83 2dviA1 LEU 420 HB2 -0.16 -0.05 -0.35 -0.04 1.64 1.04 2dviA1 LEU 420 HB3 -0.55 0.26 -0.19 -0.04 1.64 1.12 2dviA1 LEU 420 HG -0.44 -0.03 -0.40 -0.04 1.64 0.73 2dviA1 LEU 420 HD13 -0.09 -0.01 -0.11 -0.04 0.93 0.69 2dviA1 LEU 420 HD23 -0.24 0.02 -0.23 -0.04 0.89 0.39 2dviA1 PHE 421 H -0.18 0.42 -0.18 -0.55 8.34 7.84 2dviA1 PHE 421 HA -0.02 0.06 0.46 -0.75 4.62 4.37 2dviA1 PHE 421 HB2 0.00 0.08 0.05 -0.04 3.15 3.24 2dviA1 PHE 421 HB3 -0.01 -0.03 0.14 -0.04 3.06 3.13 2dviA1 PHE 421 HD2 0.00 0.01 -0.02 -0.04 7.28 7.23 2dviA1 PHE 421 HE2 0.01 -0.04 -0.18 -0.04 7.38 7.12 2dviA1 PHE 421 HZ 0.02 0.01 -0.08 -0.04 7.32 7.22 2dviA1 LYS 422 H 0.03 0.27 -0.60 -0.55 8.42 7.56 2dviA1 LYS 422 HA 0.05 0.11 0.64 -0.75 4.32 4.37 2dviA1 LYS 422 HB2 0.03 0.20 0.07 -0.04 1.87 2.12 2dviA1 LYS 422 HB3 0.02 -0.05 0.04 -0.04 1.79 1.77 2dviA1 LYS 422 HG2 0.04 -0.01 0.00 -0.04 1.46 1.45 2dviA1 LYS 422 HG3 0.07 0.00 -0.09 -0.04 1.46 1.40 2dviA1 LYS 422 HD2 0.04 -0.02 -0.02 -0.04 1.69 1.64 2dviA1 LYS 422 HD3 0.03 -0.01 -0.00 -0.04 1.68 1.66 2dviA1 LYS 422 HE2 0.04 -0.01 -0.05 -0.04 2.99 2.93 2dviA1 LYS 422 HE3 0.03 -0.02 -0.03 -0.04 2.99 2.92 2dviA1 GLU 423 H -0.04 0.28 -0.27 -0.55 8.60 8.02 2dviA1 GLU 423 HA -0.03 0.14 0.57 -0.75 4.29 4.22 2dviA1 GLU 423 HB2 -0.19 0.07 0.03 -0.04 2.09 1.95 2dviA1 GLU 423 HB3 -0.30 -0.03 0.03 -0.04 1.99 1.65 2dviA1 GLU 423 HG2 -0.02 0.10 0.03 -0.04 2.34 2.41 2dviA1 GLU 423 HG3 0.05 -0.04 -0.03 -0.04 2.34 2.28 2dviA1 PRO 424 HA -0.06 0.12 0.42 -0.51 4.44 4.42 2dviA1 PRO 424 HB2 -0.06 -0.02 0.11 -0.04 2.28 2.27 2dviA1 PRO 424 HB3 -0.00 0.04 0.15 -0.04 2.02 2.17 2dviA1 PRO 424 HG2 0.11 -0.02 0.07 -0.04 2.03 2.15 2dviA1 PRO 424 HG3 0.03 0.11 0.06 -0.04 2.03 2.18 2dviA1 PRO 424 HD2 -0.21 0.08 0.07 -0.04 3.68 3.59 2dviA1 PRO 424 HD3 0.00 0.17 0.21 -0.04 3.65 3.99 2dviA1 VAL 425 H -0.18 0.51 -0.70 -0.55 8.24 7.32 2dviA1 VAL 425 HA -0.14 0.20 0.90 -0.75 4.13 4.33 2dviA1 VAL 425 HB -0.15 -0.04 -0.03 -0.04 2.12 1.86 2dviA1 VAL 425 HG13 -0.63 -0.01 -0.28 -0.04 0.97 0.01 2dviA1 VAL 425 HG23 -0.18 0.02 -0.24 -0.04 0.95 0.50 2dviA1 THR 426 H -0.04 0.28 0.01 -0.55 8.28 7.98 2dviA1 THR 426 HA 0.05 0.07 0.31 -0.75 4.39 4.05 2dviA1 THR 426 HB 0.04 0.04 -0.05 -0.04 4.32 4.30 2dviA1 THR 426 HG23 0.10 0.03 0.08 -0.04 1.22 1.39 2dviA1 ALA 427 H -0.01 0.12 -0.25 -0.55 8.40 7.71 2dviA1 ALA 427 HA -0.00 0.13 0.38 -0.75 4.34 4.09 2dviA1 ALA 427 HB3 -0.01 0.03 -0.02 -0.04 1.41 1.37 2dviA1 GLU 428 H -0.03 0.08 -0.31 -0.55 8.60 7.79 2dviA1 GLU 428 HA -0.04 0.08 0.33 -0.75 4.29 3.91 2dviA1 GLU 428 HB2 -0.06 0.10 0.03 -0.04 2.09 2.12 2dviA1 GLU 428 HB3 -0.07 -0.02 -0.14 -0.04 1.99 1.73 2dviA1 GLU 428 HG2 -0.02 -0.01 -0.14 -0.04 2.34 2.13 2dviA1 GLU 428 HG3 -0.04 0.06 -0.00 -0.04 2.34 2.31 2dviA1 LEU 429 H -0.02 0.47 -0.26 -0.55 8.37 8.01 2dviA1 LEU 429 HA -0.03 0.04 0.31 -0.75 4.35 3.92 2dviA1 LEU 429 HB2 0.05 0.09 0.03 -0.04 1.64 1.77 2dviA1 LEU 429 HB3 0.05 -0.01 -0.11 -0.04 1.64 1.53 2dviA1 LEU 429 HG -0.04 0.18 -0.14 -0.04 1.64 1.60 2dviA1 LEU 429 HD13 0.04 -0.01 -0.19 -0.04 0.93 0.73 2dviA1 LEU 429 HD23 -0.05 -0.01 -0.16 -0.04 0.89 0.62 2dviA1 CYS 430 H 0.00 0.48 -0.17 -0.55 8.50 8.26 2dviA1 CYS 430 HA 0.01 -0.01 0.36 -0.75 4.58 4.18 2dviA1 CYS 430 HB2 -0.00 0.14 0.14 -0.04 2.97 3.21 2dviA1 CYS 430 HB3 -0.01 0.03 -0.04 -0.04 2.97 2.92 2dviA1 GLU 431 H -0.02 0.43 -0.23 -0.55 8.60 8.24 2dviA1 GLU 431 HA -0.02 0.06 0.40 -0.75 4.29 3.97 2dviA1 GLU 431 HB2 -0.03 -0.00 0.08 -0.04 2.09 2.10 2dviA1 GLU 431 HB3 -0.04 0.09 0.13 -0.04 1.99 2.12 2dviA1 GLU 431 HG2 -0.04 -0.03 -0.02 -0.04 2.34 2.21 2dviA1 GLU 431 HG3 -0.05 0.02 -0.18 -0.04 2.34 2.09 2dviA1 MET 432 H -0.04 0.47 -0.21 -0.55 8.47 8.14 2dviA1 MET 432 HA -0.04 0.03 0.35 -0.75 4.52 4.10 2dviA1 MET 432 HB2 -0.07 0.01 0.01 -0.04 2.15 2.05 2dviA1 MET 432 HB3 -0.04 0.05 0.05 -0.04 2.03 2.06 2dviA1 MET 432 HG2 -0.02 0.00 -0.29 -0.04 2.63 2.28 2dviA1 MET 432 HG3 -0.06 0.01 -0.14 -0.04 2.56 2.33 2dviA1 MET 432 HE3 -0.05 -0.01 -0.30 -0.04 2.10 1.71 2dviA1 MET 433 H -0.01 0.44 -0.31 -0.55 8.47 8.05 2dviA1 MET 433 HA 0.01 0.12 0.63 -0.75 4.52 4.52 2dviA1 MET 433 HB2 0.01 -0.04 -0.01 -0.04 2.15 2.07 2dviA1 MET 433 HB3 0.02 -0.04 0.05 -0.04 2.03 2.01 2dviA1 MET 433 HG2 0.02 -0.04 -0.17 -0.04 2.63 2.40 2dviA1 MET 433 HG3 0.02 0.34 -0.04 -0.04 2.56 2.83 2dviA1 MET 433 HE3 0.06 -0.01 -0.16 -0.04 2.10 1.95 2dviA1 GLY 434 H -0.01 0.35 -0.41 -0.55 8.43 7.82 2dviA1 GLY 434 HA2 -0.01 0.04 0.24 -0.51 4.01 3.78 2dviA1 GLY 434 HA3 -0.01 0.02 0.39 -0.51 4.01 3.90 2dviA1 VAL 435 H -0.00 0.38 -0.11 -0.55 8.24 7.96 2dviA1 VAL 435 HA -0.00 0.02 0.39 -0.75 4.13 3.78 2dviA1 VAL 435 HB -0.01 -0.05 0.07 -0.04 2.12 2.09 2dviA1 VAL 435 HG13 -0.01 -0.01 -0.12 -0.04 0.97 0.79 2dviA1 VAL 435 HG23 0.00 -0.00 -0.04 -0.04 0.95 0.87 2dviA1 LYS 436 H -0.01 0.10 0.20 -0.55 8.42 8.16 2dviA1 LYS 436 HA -0.01 0.22 0.94 -0.75 4.32 4.72 2dviA1 LYS 436 HB2 -0.01 -0.10 0.09 -0.04 1.87 1.81 2dviA1 LYS 436 HB3 -0.01 0.13 -0.04 -0.04 1.79 1.84 2dviA1 LYS 436 HG2 -0.00 0.01 0.09 -0.04 1.46 1.51 2dviA1 LYS 436 HG3 -0.01 -0.04 -0.18 -0.04 1.46 1.20 2dviA1 LYS 436 HD2 -0.00 -0.03 -0.02 -0.04 1.69 1.60 2dviA1 LYS 436 HD3 -0.00 0.07 0.00 -0.04 1.68 1.71 2dviA1 LYS 436 HE2 -0.00 0.02 0.00 -0.04 2.99 2.97 2dviA1 LYS 436 HE3 -0.00 -0.04 -0.03 -0.04 2.99 2.88 2dviA1 ASP 437 H -0.01 0.18 0.04 -0.55 8.40 8.06 2dviA1 ASP 437 HA -0.01 0.05 0.13 -0.75 4.63 4.04 2dviA1 ASP 437 HB2 -0.01 0.37 0.09 -0.04 2.71 3.12 2dviA1 ASP 437 HB3 -0.01 -0.03 0.02 -0.04 2.70 2.63