============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 72 rings ring int. center anis. iso. TRP 6 1.040 48.884 13.552 22.999 -99.200 -91.000 TRP6 6 1.020 50.447 15.188 23.804 -99.200 -91.000 HIS 7 0.900 41.158 11.880 20.612 -99.200 -91.000 HIS 14 0.900 30.820 13.914 22.349 -99.200 -91.000 HIS 16 0.900 39.153 16.272 20.544 -99.200 -91.000 TRP 48 1.040 36.004 6.426 34.249 -99.200 -91.000 TRP6 48 1.020 34.217 5.288 33.210 -99.200 -91.000 PHE 49 1.000 43.317 7.889 30.110 -99.200 -91.000 TYR 60 0.840 40.241 7.880 16.305 -99.200 -91.000 TRP 68 1.040 49.411 4.490 15.501 -99.200 -91.000 TRP6 68 1.020 51.754 4.358 15.267 -99.200 -91.000 TRP 75 1.040 59.338 13.978 28.382 -99.200 -91.000 TRP6 75 1.020 57.493 14.340 29.832 -99.200 -91.000 TYR 91 0.840 46.513 20.344 13.887 -99.200 -91.000 HIS 96 0.900 44.837 27.475 29.317 -99.200 -91.000 TYR 99 0.840 52.215 15.920 33.447 -99.200 -91.000 TYR 102 0.840 57.741 18.972 32.663 -99.200 -91.000 HIS 116 0.900 49.733 23.596 14.106 -99.200 -91.000 HIS 122 0.900 37.295 24.704 29.722 -99.200 -91.000 TYR 132 0.840 35.242 37.500 38.040 -99.200 -91.000 TYR 135 0.840 28.544 29.692 40.355 -99.200 -91.000 PHE 138 1.000 33.722 31.357 36.558 -99.200 -91.000 TYR 142 0.840 26.880 29.889 30.286 -99.200 -91.000 PHE 188 1.000 20.069 15.081 34.216 -99.200 -91.000 TYR 196 0.840 20.353 19.247 38.989 -99.200 -91.000 TYR 214 0.840 30.052 8.182 31.100 -99.200 -91.000 PHE 215 1.000 29.593 16.329 32.058 -99.200 -91.000 TRP 227 1.040 23.358 23.231 21.407 -99.200 -91.000 TRP6 227 1.020 23.197 25.386 20.482 -99.200 -91.000 TRP 240 1.040 22.450 18.946 35.049 -99.200 -91.000 TRP6 240 1.020 23.435 18.451 32.928 -99.200 -91.000 TRP 246 1.040 28.867 26.163 41.677 -99.200 -91.000 TRP6 246 1.020 30.179 26.796 43.523 -99.200 -91.000 PHE 249 1.000 34.306 29.781 41.322 -99.200 -91.000 TYR 251 0.840 38.360 22.172 35.377 -99.200 -91.000 HIS 252 0.900 38.426 32.327 37.435 -99.200 -91.000 TYR 255 0.840 45.535 30.422 34.297 -99.200 -91.000 HIS 256 0.900 42.184 33.371 37.080 -99.200 -91.000 PHE 257 1.000 42.534 33.572 43.151 -99.200 -91.000 TRP 259 1.040 48.392 31.542 45.648 -99.200 -91.000 TRP6 259 1.020 46.620 31.980 47.135 -99.200 -91.000 PHE 269 1.000 39.491 29.681 58.493 -99.200 -91.000 PHE 272 1.000 41.549 25.262 62.371 -99.200 -91.000 TRP 274 1.040 45.150 21.834 59.285 -99.200 -91.000 TRP6 274 1.020 42.851 22.478 59.441 -99.200 -91.000 PHE 281 1.000 43.542 9.319 56.389 -99.200 -91.000 TRP 284 1.040 36.684 11.062 56.629 -99.200 -91.000 TRP6 284 1.020 38.223 11.177 54.836 -99.200 -91.000 TYR 285 0.840 41.070 5.640 53.010 -99.200 -91.000 HIS 302 0.900 37.136 2.784 51.115 -99.200 -91.000 PHE 306 1.000 27.914 9.402 41.772 -99.200 -91.000 PHE 318 1.000 32.159 13.630 61.350 -99.200 -91.000 HIS 322 0.900 31.104 17.668 63.311 -99.200 -91.000 TRP 327 1.040 44.056 21.812 53.809 -99.200 -91.000 TRP6 327 1.020 44.603 22.100 51.532 -99.200 -91.000 PHE 334 1.000 35.793 12.462 49.200 -99.200 -91.000 HIS 336 0.900 45.265 9.045 44.818 -99.200 -91.000 TRP 350 1.040 38.387 17.282 49.923 -99.200 -91.000 TRP6 350 1.020 38.161 16.410 52.098 -99.200 -91.000 TRP 352 1.040 31.143 25.634 49.169 -99.200 -91.000 TRP6 352 1.020 29.576 23.994 49.846 -99.200 -91.000 TYR 363 0.840 33.493 31.583 61.366 -99.200 -91.000 PHE 364 1.000 28.343 31.856 59.159 -99.200 -91.000 PHE 367 1.000 27.343 20.436 55.533 -99.200 -91.000 HIS 376 0.900 19.112 17.533 52.128 -99.200 -91.000 TRP 382 1.040 22.670 7.022 50.329 -99.200 -91.000 TRP6 382 1.020 24.110 8.014 51.950 -99.200 -91.000 TRP 386 1.040 25.010 2.998 49.909 -99.200 -91.000 TRP6 386 1.020 26.364 1.591 48.578 -99.200 -91.000 TYR 390 0.840 26.198 3.382 62.087 -99.200 -91.000 TYR 393 0.840 20.503 9.449 57.983 -99.200 -91.000 TYR 409 0.840 35.508 24.786 62.086 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2j08A1 GLY 2 HA2 -0.02 0.09 0.24 -0.51 4.01 3.82 2j08A1 GLY 2 HA3 -0.01 -0.04 0.23 -0.51 4.01 3.68 2j08A1 PRO 3 HA -0.00 0.21 0.60 -0.51 4.44 4.73 2j08A1 PRO 3 HB2 -0.06 -0.01 -0.23 -0.04 2.28 1.94 2j08A1 PRO 3 HB3 -0.03 0.00 -0.09 -0.04 2.02 1.86 2j08A1 PRO 3 HG2 -0.09 -0.03 -0.12 -0.04 2.03 1.75 2j08A1 PRO 3 HG3 -0.07 -0.01 0.00 -0.04 2.03 1.91 2j08A1 PRO 3 HD2 -0.03 0.26 0.15 -0.04 3.68 4.02 2j08A1 PRO 3 HD3 -0.02 0.06 0.04 -0.04 3.65 3.69 2j08A1 LEU 4 H 0.02 0.66 0.25 -0.55 8.37 8.76 2j08A1 LEU 4 HA 0.09 0.03 0.87 -0.75 4.35 4.59 2j08A1 LEU 4 HB2 0.04 0.00 0.00 -0.04 1.64 1.65 2j08A1 LEU 4 HB3 0.27 -0.04 -0.04 -0.04 1.64 1.78 2j08A1 LEU 4 HG 0.06 0.01 -0.24 -0.04 1.64 1.43 2j08A1 LEU 4 HD13 0.01 0.04 -0.18 -0.04 0.93 0.76 2j08A1 LEU 4 HD23 0.25 -0.03 -0.11 -0.04 0.89 0.95 2j08A1 LEU 5 H 0.06 0.52 0.28 -0.55 8.37 8.69 2j08A1 LEU 5 HA -0.01 0.34 1.06 -0.75 4.35 4.99 2j08A1 LEU 5 HB2 -0.02 0.05 0.14 -0.04 1.64 1.77 2j08A1 LEU 5 HB3 0.03 -0.14 -0.23 -0.04 1.64 1.26 2j08A1 LEU 5 HG -0.20 0.05 -0.17 -0.04 1.64 1.28 2j08A1 LEU 5 HD13 -0.14 -0.04 -0.16 -0.04 0.93 0.55 2j08A1 LEU 5 HD23 -0.16 0.03 -0.22 -0.04 0.89 0.50 2j08A1 VAL 6 H 0.08 0.72 0.35 -0.55 8.24 8.85 2j08A1 VAL 6 HA 0.15 0.17 1.03 -0.75 4.13 4.72 2j08A1 VAL 6 HB 0.10 -0.05 0.11 -0.04 2.12 2.24 2j08A1 VAL 6 HG13 -0.27 -0.03 -0.22 -0.04 0.97 0.42 2j08A1 VAL 6 HG23 0.01 0.03 -0.19 -0.04 0.95 0.75 2j08A1 TRP 7 H 0.28 0.54 0.22 -0.55 7.97 8.46 2j08A1 TRP 7 HA 0.05 0.26 0.93 -0.75 4.62 5.11 2j08A1 TRP 7 HB2 0.02 -0.01 -0.04 -0.04 3.23 3.16 2j08A1 TRP 7 HB3 0.02 0.03 0.09 -0.04 3.23 3.33 2j08A1 TRP 7 HD1 0.09 0.27 -0.08 -0.04 7.22 7.45 2j08A1 TRP 7 HE1 0.07 -0.05 -0.09 -0.04 10.20 10.09 2j08A1 TRP 7 HE3 -0.00 0.05 -0.16 -0.04 7.59 7.44 2j08A1 TRP 7 HZ2 0.04 -0.07 -0.06 -0.04 7.44 7.31 2j08A1 TRP 7 HZ3 -0.01 0.03 -0.13 -0.04 7.13 6.99 2j08A1 TRP 7 HH2 0.04 -0.06 -0.16 -0.04 7.19 6.96 2j08A1 HIS 8 H 0.41 0.66 0.39 -0.55 8.41 9.32 2j08A1 HIS 8 HA 0.10 0.04 0.72 -0.75 4.63 4.73 2j08A1 HIS 8 HB2 0.11 -0.00 0.20 -0.04 3.26 3.53 2j08A1 HIS 8 HB3 0.10 0.05 -0.07 -0.04 3.20 3.24 2j08A1 HIS 8 HD2 0.07 0.01 0.05 -0.04 6.97 7.06 2j08A1 HIS 8 HE1 -0.26 0.15 0.10 -0.04 7.75 7.70 2j08A1 ARG 9 H -0.04 0.11 0.05 -0.55 8.46 8.03 2j08A1 ARG 9 HA 0.11 0.21 0.84 -0.75 4.34 4.75 2j08A1 ARG 9 HB2 -0.18 0.02 0.16 -0.04 1.90 1.86 2j08A1 ARG 9 HB3 -0.07 -0.05 0.14 -0.04 1.80 1.78 2j08A1 ARG 9 HG2 -0.53 -0.05 -0.02 -0.04 1.67 1.03 2j08A1 ARG 9 HG3 -0.40 0.06 -0.13 -0.04 1.67 1.16 2j08A1 ARG 9 HD2 -2.54 0.00 -0.23 -0.04 3.22 0.41 2j08A1 ARG 9 HD3 -0.65 0.00 -0.32 -0.04 3.22 2.21 2j08A1 GLY 10 H 0.02 0.11 0.06 -0.55 8.43 8.07 2j08A1 GLY 10 HA2 0.21 0.17 0.72 -0.51 4.01 4.60 2j08A1 GLY 10 HA3 0.09 0.02 0.41 -0.51 4.01 4.02 2j08A1 ASP 11 H 0.15 0.53 -0.82 -0.55 8.40 7.72 2j08A1 ASP 11 HA 0.06 0.18 0.41 -0.75 4.63 4.52 2j08A1 ASP 11 HB2 0.03 0.02 0.24 -0.04 2.71 2.96 2j08A1 ASP 11 HB3 -0.09 0.09 0.20 -0.04 2.70 2.86 2j08A1 LEU 12 H 0.07 0.50 -0.06 -0.55 8.37 8.33 2j08A1 LEU 12 HA 0.03 0.13 0.76 -0.75 4.35 4.51 2j08A1 LEU 12 HB2 -0.09 -0.04 0.16 -0.04 1.64 1.63 2j08A1 LEU 12 HB3 -0.14 -0.01 0.08 -0.04 1.64 1.52 2j08A1 LEU 12 HG 0.03 0.05 0.08 -0.04 1.64 1.76 2j08A1 LEU 12 HD13 -0.52 -0.04 0.00 -0.04 0.93 0.33 2j08A1 LEU 12 HD23 -0.09 -0.00 -0.05 -0.04 0.89 0.71 2j08A1 ARG 13 H 0.20 0.57 -0.10 -0.55 8.46 8.57 2j08A1 ARG 13 HA 0.01 0.01 0.80 -0.75 4.34 4.41 2j08A1 ARG 13 HB2 -0.47 -0.22 0.04 -0.04 1.90 1.20 2j08A1 ARG 13 HB3 -0.09 0.14 -0.22 -0.04 1.80 1.58 2j08A1 ARG 13 HG2 -0.00 -0.00 -0.21 -0.04 1.67 1.42 2j08A1 ARG 13 HG3 -0.00 0.01 -0.26 -0.04 1.67 1.37 2j08A1 ARG 13 HD2 -1.17 -0.12 -0.15 -0.04 3.22 1.74 2j08A1 ARG 13 HD3 -0.19 0.02 -0.38 -0.04 3.22 2.63 2j08A1 LEU 14 H 0.04 0.06 0.14 -0.55 8.37 8.07 2j08A1 LEU 14 HA 0.02 0.19 0.82 -0.75 4.35 4.63 2j08A1 LEU 14 HB2 0.03 -0.05 0.04 -0.04 1.64 1.63 2j08A1 LEU 14 HB3 -0.03 0.05 0.03 -0.04 1.64 1.65 2j08A1 LEU 14 HG -0.02 -0.10 -0.02 -0.04 1.64 1.45 2j08A1 LEU 14 HD13 -0.11 0.01 -0.15 -0.04 0.93 0.63 2j08A1 LEU 14 HD23 -0.22 0.02 -0.13 -0.04 0.89 0.53 2j08A1 HIS 15 H -0.09 -0.01 0.00 -0.55 8.41 7.77 2j08A1 HIS 15 HA 0.02 0.19 0.41 -0.75 4.63 4.49 2j08A1 HIS 15 HB2 0.02 0.06 -0.00 -0.04 3.26 3.29 2j08A1 HIS 15 HB3 0.02 -0.01 0.04 -0.04 3.20 3.20 2j08A1 HIS 15 HD2 0.05 -0.02 -0.22 -0.04 6.97 6.73 2j08A1 HIS 15 HE1 0.02 0.31 0.17 -0.04 7.75 8.20 2j08A1 ASP 16 H 0.08 0.64 0.01 -0.55 8.40 8.58 2j08A1 ASP 16 HA 0.01 -0.07 0.42 -0.75 4.63 4.24 2j08A1 ASP 16 HB2 0.12 -0.02 -0.07 -0.04 2.71 2.70 2j08A1 ASP 16 HB3 0.06 0.06 0.07 -0.04 2.70 2.85 2j08A1 HIS 17 H 0.07 0.22 -0.29 -0.55 8.41 7.86 2j08A1 HIS 17 HA -0.05 0.26 0.79 -0.75 4.63 4.87 2j08A1 HIS 17 HB2 -0.04 0.14 -0.40 -0.04 3.26 2.91 2j08A1 HIS 17 HB3 -0.02 -0.06 0.09 -0.04 3.20 3.16 2j08A1 HIS 17 HD2 0.10 0.19 0.06 -0.04 6.97 7.28 2j08A1 HIS 17 HE1 -0.17 -0.03 -0.02 -0.04 7.75 7.49 2j08A1 PRO 18 HA 0.01 0.05 0.27 -0.51 4.44 4.25 2j08A1 PRO 18 HB2 -0.01 0.03 -0.07 -0.04 2.28 2.19 2j08A1 PRO 18 HB3 -0.01 0.04 -0.00 -0.04 2.02 2.01 2j08A1 PRO 18 HG2 -0.07 0.23 0.07 -0.04 2.03 2.22 2j08A1 PRO 18 HG3 -0.04 0.01 -0.01 -0.04 2.03 1.94 2j08A1 PRO 18 HD2 -0.23 0.15 0.13 -0.04 3.68 3.69 2j08A1 PRO 18 HD3 -0.08 0.11 -0.42 -0.04 3.65 3.22 2j08A1 ALA 19 H 0.17 0.14 -0.23 -0.55 8.40 7.93 2j08A1 ALA 19 HA 0.06 0.11 0.44 -0.75 4.34 4.19 2j08A1 ALA 19 HB3 0.16 0.03 -0.23 -0.04 1.41 1.33 2j08A1 LEU 20 H 0.12 0.11 -0.34 -0.55 8.37 7.72 2j08A1 LEU 20 HA -0.13 0.05 0.32 -0.75 4.35 3.84 2j08A1 LEU 20 HB2 -0.42 -0.02 0.08 -0.04 1.64 1.23 2j08A1 LEU 20 HB3 -0.06 0.18 0.16 -0.04 1.64 1.88 2j08A1 LEU 20 HG -0.08 0.00 -0.19 -0.04 1.64 1.33 2j08A1 LEU 20 HD13 -0.05 -0.01 0.02 -0.04 0.93 0.84 2j08A1 LEU 20 HD23 -0.08 0.04 0.07 -0.04 0.89 0.88 2j08A1 LEU 21 H -0.01 0.44 -0.05 -0.55 8.37 8.20 2j08A1 LEU 21 HA -0.07 0.06 0.62 -0.75 4.35 4.20 2j08A1 LEU 21 HB2 -0.03 -0.00 -0.01 -0.04 1.64 1.55 2j08A1 LEU 21 HB3 -0.05 -0.01 -0.06 -0.04 1.64 1.47 2j08A1 LEU 21 HG -0.01 0.04 -0.04 -0.04 1.64 1.59 2j08A1 LEU 21 HD13 -0.03 0.02 -0.09 -0.04 0.93 0.79 2j08A1 LEU 21 HD23 -0.04 0.02 -0.16 -0.04 0.89 0.67 2j08A1 GLU 22 H -0.09 0.62 -0.12 -0.55 8.60 8.46 2j08A1 GLU 22 HA -0.13 -0.02 0.36 -0.75 4.29 3.74 2j08A1 GLU 22 HB2 -0.07 0.07 0.09 -0.04 2.09 2.14 2j08A1 GLU 22 HB3 -0.26 0.05 0.07 -0.04 1.99 1.81 2j08A1 GLU 22 HG2 0.08 -0.04 -0.08 -0.04 2.34 2.26 2j08A1 GLU 22 HG3 -0.13 0.03 -0.09 -0.04 2.34 2.11 2j08A1 ALA 23 H -0.39 0.44 -0.35 -0.55 8.40 7.56 2j08A1 ALA 23 HA -0.62 0.03 0.35 -0.75 4.34 3.34 2j08A1 ALA 23 HB3 -0.33 0.01 -0.05 -0.04 1.41 1.00 2j08A1 LEU 24 H -0.15 0.49 -0.01 -0.55 8.37 8.16 2j08A1 LEU 24 HA -0.07 0.19 0.39 -0.75 4.35 4.11 2j08A1 LEU 24 HB2 -0.08 0.02 0.25 -0.04 1.64 1.79 2j08A1 LEU 24 HB3 -0.06 -0.07 0.06 -0.04 1.64 1.53 2j08A1 LEU 24 HG -0.07 0.08 0.07 -0.04 1.64 1.68 2j08A1 LEU 24 HD13 -0.07 -0.04 -0.01 -0.04 0.93 0.78 2j08A1 LEU 24 HD23 -0.04 0.01 0.08 -0.04 0.89 0.90 2j08A1 ALA 25 H -0.10 0.52 -0.21 -0.55 8.40 8.07 2j08A1 ALA 25 HA -0.05 -0.01 0.33 -0.75 4.34 3.86 2j08A1 ALA 25 HB3 -0.06 -0.02 0.06 -0.04 1.41 1.35 2j08A1 ARG 26 H -0.09 0.48 -0.42 -0.55 8.46 7.87 2j08A1 ARG 26 HA -0.03 0.03 0.60 -0.75 4.34 4.19 2j08A1 ARG 26 HB2 -0.02 0.10 -0.09 -0.04 1.90 1.85 2j08A1 ARG 26 HB3 0.01 -0.10 0.03 -0.04 1.80 1.71 2j08A1 ARG 26 HG2 -0.08 -0.00 -0.04 -0.04 1.67 1.51 2j08A1 ARG 26 HG3 -0.09 0.00 -0.00 -0.04 1.67 1.54 2j08A1 ARG 26 HD2 0.01 -0.02 -0.01 -0.04 3.22 3.16 2j08A1 ARG 26 HD3 -0.01 -0.07 -0.04 -0.04 3.22 3.05 2j08A1 GLY 27 H -0.04 0.48 0.02 -0.55 8.43 8.35 2j08A1 GLY 27 HA2 -0.01 -0.07 0.21 -0.51 4.01 3.62 2j08A1 GLY 27 HA3 -0.00 0.12 0.68 -0.51 4.01 4.30 2j08A1 PRO 28 HA -0.01 0.01 0.51 -0.51 4.44 4.44 2j08A1 PRO 28 HB2 0.00 0.09 0.01 -0.04 2.28 2.34 2j08A1 PRO 28 HB3 0.00 -0.03 0.15 -0.04 2.02 2.10 2j08A1 PRO 28 HG2 0.00 0.12 0.04 -0.04 2.03 2.14 2j08A1 PRO 28 HG3 0.00 -0.02 0.07 -0.04 2.03 2.05 2j08A1 PRO 28 HD2 0.00 0.20 0.27 -0.04 3.68 4.11 2j08A1 PRO 28 HD3 -0.00 0.06 0.16 -0.04 3.65 3.83 2j08A1 VAL 29 H 0.01 0.10 0.26 -0.55 8.24 8.07 2j08A1 VAL 29 HA 0.01 0.31 1.15 -0.75 4.13 4.84 2j08A1 VAL 29 HB 0.04 -0.03 0.04 -0.04 2.12 2.14 2j08A1 VAL 29 HG13 -0.03 0.03 -0.25 -0.04 0.97 0.68 2j08A1 VAL 29 HG23 0.04 -0.03 -0.06 -0.04 0.95 0.85 2j08A1 VAL 30 H 0.02 0.55 0.25 -0.55 8.24 8.51 2j08A1 VAL 30 HA 0.08 0.12 0.62 -0.75 4.13 4.19 2j08A1 VAL 30 HB -0.17 -0.03 0.05 -0.04 2.12 1.93 2j08A1 VAL 30 HG13 -0.39 0.01 -0.00 -0.04 0.97 0.54 2j08A1 VAL 30 HG23 -0.04 0.00 -0.09 -0.04 0.95 0.78 2j08A1 GLY 31 H 0.11 0.46 0.33 -0.55 8.43 8.79 2j08A1 GLY 31 HA2 0.15 0.19 1.01 -0.51 4.01 4.84 2j08A1 GLY 31 HA3 0.03 -0.03 0.47 -0.51 4.01 3.97 2j08A1 LEU 32 H 0.22 0.63 0.41 -0.55 8.37 9.09 2j08A1 LEU 32 HA 0.15 0.22 0.68 -0.75 4.35 4.65 2j08A1 LEU 32 HB2 -0.01 0.08 -0.13 -0.04 1.64 1.54 2j08A1 LEU 32 HB3 0.09 -0.05 -0.04 -0.04 1.64 1.60 2j08A1 LEU 32 HG 0.05 -0.10 -0.42 -0.04 1.64 1.13 2j08A1 LEU 32 HD13 0.15 0.02 -0.18 -0.04 0.93 0.88 2j08A1 LEU 32 HD23 -0.30 -0.02 -0.19 -0.04 0.89 0.33 2j08A1 VAL 33 H 0.13 0.70 0.30 -0.55 8.24 8.82 2j08A1 VAL 33 HA 0.37 0.23 0.45 -0.75 4.13 4.43 2j08A1 VAL 33 HB 0.08 0.01 0.12 -0.04 2.12 2.29 2j08A1 VAL 33 HG13 0.24 -0.03 -0.25 -0.04 0.97 0.89 2j08A1 VAL 33 HG23 0.09 0.04 0.05 -0.04 0.95 1.09 2j08A1 VAL 34 H 0.37 0.28 0.09 -0.55 8.24 8.43 2j08A1 VAL 34 HA 0.09 0.33 0.91 -0.75 4.13 4.70 2j08A1 VAL 34 HB 0.28 -0.05 0.02 -0.04 2.12 2.33 2j08A1 VAL 34 HG13 -0.00 -0.06 -0.52 -0.04 0.97 0.35 2j08A1 VAL 34 HG23 -0.16 -0.01 -0.28 -0.04 0.95 0.47 2j08A1 LEU 35 H 0.08 0.70 0.29 -0.55 8.37 8.90 2j08A1 LEU 35 HA 0.14 0.06 0.55 -0.75 4.35 4.35 2j08A1 LEU 35 HB2 0.05 -0.09 0.17 -0.04 1.64 1.73 2j08A1 LEU 35 HB3 0.10 0.02 0.04 -0.04 1.64 1.76 2j08A1 LEU 35 HG 0.08 0.14 -0.04 -0.04 1.64 1.78 2j08A1 LEU 35 HD13 0.05 0.01 -0.03 -0.04 0.93 0.92 2j08A1 LEU 35 HD23 0.23 -0.00 -0.20 -0.04 0.89 0.88 2j08A1 ASP 36 H 0.01 0.23 0.19 -0.55 8.40 8.28 2j08A1 ASP 36 HA -0.02 0.38 0.65 -0.75 4.63 4.88 2j08A1 ASP 36 HB2 0.11 0.17 0.03 -0.04 2.71 2.98 2j08A1 ASP 36 HB3 0.04 -0.07 0.18 -0.04 2.70 2.81 2j08A1 PRO 37 HA -0.02 0.07 0.19 -0.51 4.44 4.17 2j08A1 PRO 37 HB2 -0.01 0.07 0.02 -0.04 2.28 2.33 2j08A1 PRO 37 HB3 -0.01 0.07 0.07 -0.04 2.02 2.11 2j08A1 PRO 37 HG2 -0.01 -0.00 0.05 -0.04 2.03 2.02 2j08A1 PRO 37 HG3 -0.03 0.05 0.02 -0.04 2.03 2.03 2j08A1 PRO 37 HD2 -0.07 0.13 0.07 -0.04 3.68 3.77 2j08A1 PRO 37 HD3 -0.05 0.16 0.18 -0.04 3.65 3.90 2j08A1 ASN 38 H -0.00 0.07 -0.32 -0.55 8.53 7.73 2j08A1 ASN 38 HA -0.08 0.09 0.17 -0.75 4.76 4.18 2j08A1 ASN 38 HB2 -0.11 -0.04 0.06 -0.04 2.88 2.76 2j08A1 ASN 38 HB3 -0.61 0.03 0.06 -0.04 2.79 2.23 2j08A1 ASN 38 HD21 0.38 0.02 -0.00 -0.04 7.03 7.39 2j08A1 ASN 38 HD22 0.39 -0.02 0.02 -0.04 7.74 8.08 2j08A1 ASN 39 H -0.06 0.41 -0.30 -0.55 8.53 8.03 2j08A1 ASN 39 HA -0.08 0.15 0.62 -0.75 4.76 4.69 2j08A1 ASN 39 HB2 -0.19 0.02 -0.01 -0.04 2.88 2.66 2j08A1 ASN 39 HB3 -0.17 0.03 0.03 -0.04 2.79 2.64 2j08A1 ASN 39 HD21 0.16 -0.05 -0.02 -0.04 7.03 7.08 2j08A1 ASN 39 HD22 -0.06 0.05 0.03 -0.04 7.74 7.73 2j08A1 LEU 40 H -0.05 0.24 -0.08 -0.55 8.37 7.93 2j08A1 LEU 40 HA -0.03 0.32 1.18 -0.75 4.35 5.06 2j08A1 LEU 40 HB2 -0.01 -0.05 -0.16 -0.04 1.64 1.38 2j08A1 LEU 40 HB3 0.01 -0.02 0.10 -0.04 1.64 1.70 2j08A1 LEU 40 HG -0.11 -0.06 -0.15 -0.04 1.64 1.29 2j08A1 LEU 40 HD13 0.08 -0.01 -0.11 -0.04 0.93 0.85 2j08A1 LEU 40 HD23 0.05 0.03 -0.03 -0.04 0.89 0.90 2j08A1 LYS 41 H -0.03 0.52 -0.02 -0.55 8.42 8.34 2j08A1 LYS 41 HA -0.02 0.16 0.86 -0.75 4.32 4.56 2j08A1 LYS 41 HB2 -0.02 0.05 0.15 -0.04 1.87 2.00 2j08A1 LYS 41 HB3 -0.02 -0.01 0.07 -0.04 1.79 1.78 2j08A1 LYS 41 HG2 -0.01 0.03 0.06 -0.04 1.46 1.49 2j08A1 LYS 41 HG3 -0.01 -0.07 -0.01 -0.04 1.46 1.33 2j08A1 LYS 41 HD2 -0.01 -0.08 -0.01 -0.04 1.69 1.55 2j08A1 LYS 41 HD3 -0.01 0.01 -0.00 -0.04 1.68 1.64 2j08A1 LYS 41 HE2 -0.00 -0.03 -0.01 -0.04 2.99 2.91 2j08A1 LYS 41 HE3 -0.01 0.03 -0.00 -0.04 2.99 2.97 2j08A1 THR 42 H -0.04 0.41 -0.22 -0.55 8.28 7.87 2j08A1 THR 42 HA -0.24 0.10 0.55 -0.75 4.39 4.05 2j08A1 THR 42 HB -0.04 0.10 -0.32 -0.04 4.32 4.02 2j08A1 THR 42 HG23 0.01 0.02 -0.15 -0.04 1.22 1.06 2j08A1 THR 43 H -0.14 0.15 0.13 -0.55 8.28 7.86 2j08A1 THR 43 HA -0.05 0.13 0.29 -0.75 4.39 4.01 2j08A1 THR 43 HB 0.01 -0.01 0.16 -0.04 4.32 4.44 2j08A1 THR 43 HG23 -0.03 0.01 0.04 -0.04 1.22 1.19 2j08A1 PRO 44 HA 0.03 0.02 0.58 -0.51 4.44 4.56 2j08A1 PRO 44 HB2 0.03 0.14 0.06 -0.04 2.28 2.47 2j08A1 PRO 44 HB3 0.03 0.04 0.16 -0.04 2.02 2.21 2j08A1 PRO 44 HG2 0.02 0.06 0.10 -0.04 2.03 2.18 2j08A1 PRO 44 HG3 0.02 0.01 0.11 -0.04 2.03 2.12 2j08A1 PRO 44 HD2 0.01 0.10 0.24 -0.04 3.68 3.99 2j08A1 PRO 44 HD3 0.00 0.17 0.15 -0.04 3.65 3.92 2j08A1 ARG 45 H 0.03 0.16 -0.14 -0.55 8.46 7.96 2j08A1 ARG 45 HA 0.05 0.04 0.34 -0.75 4.34 4.02 2j08A1 ARG 45 HB2 -0.00 0.02 0.04 -0.04 1.90 1.92 2j08A1 ARG 45 HB3 0.01 0.11 0.12 -0.04 1.80 1.99 2j08A1 ARG 45 HG2 0.03 -0.18 -0.07 -0.04 1.67 1.41 2j08A1 ARG 45 HG3 0.01 -0.03 -0.38 -0.04 1.67 1.23 2j08A1 ARG 45 HD2 -0.01 0.15 -0.02 -0.04 3.22 3.30 2j08A1 ARG 45 HD3 -0.05 0.14 -0.15 -0.04 3.22 3.11 2j08A1 ARG 46 H 0.07 0.24 -0.36 -0.55 8.46 7.85 2j08A1 ARG 46 HA 0.21 0.13 0.64 -0.75 4.34 4.57 2j08A1 ARG 46 HB2 0.08 -0.02 0.04 -0.04 1.90 1.97 2j08A1 ARG 46 HB3 0.15 0.01 0.04 -0.04 1.80 1.96 2j08A1 ARG 46 HG2 0.11 0.12 -0.06 -0.04 1.67 1.80 2j08A1 ARG 46 HG3 0.07 -0.06 -0.11 -0.04 1.67 1.53 2j08A1 ARG 46 HD2 0.12 0.09 0.07 -0.04 3.22 3.46 2j08A1 ARG 46 HD3 0.09 -0.15 0.05 -0.04 3.22 3.17 2j08A1 ARG 47 H 0.08 0.51 -0.02 -0.55 8.46 8.48 2j08A1 ARG 47 HA 0.13 0.01 0.48 -0.75 4.34 4.21 2j08A1 ARG 47 HB2 0.06 0.07 0.14 -0.04 1.90 2.12 2j08A1 ARG 47 HB3 0.07 -0.08 0.03 -0.04 1.80 1.78 2j08A1 ARG 47 HG2 0.03 0.08 0.12 -0.04 1.67 1.86 2j08A1 ARG 47 HG3 0.03 0.05 -0.07 -0.04 1.67 1.64 2j08A1 ARG 47 HD2 0.01 0.04 0.04 -0.04 3.22 3.26 2j08A1 ARG 47 HD3 0.02 -0.06 -0.08 -0.04 3.22 3.07 2j08A1 ALA 48 H 0.11 0.69 -0.19 -0.55 8.40 8.46 2j08A1 ALA 48 HA 0.10 -0.05 0.17 -0.75 4.34 3.81 2j08A1 ALA 48 HB3 0.10 0.02 -0.02 -0.04 1.41 1.47 2j08A1 TRP 49 H 0.31 0.47 -0.16 -0.55 7.97 8.04 2j08A1 TRP 49 HA 0.01 -0.04 0.27 -0.75 4.62 4.11 2j08A1 TRP 49 HB2 0.02 0.13 0.24 -0.04 3.23 3.58 2j08A1 TRP 49 HB3 0.07 0.07 0.22 -0.04 3.23 3.55 2j08A1 TRP 49 HD1 0.05 0.12 0.08 -0.04 7.22 7.43 2j08A1 TRP 49 HE1 -0.09 0.35 0.07 -0.04 10.20 10.49 2j08A1 TRP 49 HE3 -0.03 0.00 0.04 -0.04 7.59 7.57 2j08A1 TRP 49 HZ2 -0.83 -0.11 -0.28 -0.04 7.44 6.18 2j08A1 TRP 49 HZ3 -0.04 0.19 -0.20 -0.04 7.13 7.04 2j08A1 TRP 49 HH2 -0.28 0.11 -0.19 -0.04 7.19 6.79 2j08A1 PHE 50 H 0.31 0.64 -0.14 -0.55 8.34 8.60 2j08A1 PHE 50 HA -0.18 -0.02 0.54 -0.75 4.62 4.21 2j08A1 PHE 50 HB2 0.05 0.03 0.14 -0.04 3.15 3.33 2j08A1 PHE 50 HB3 0.03 0.08 0.19 -0.04 3.06 3.32 2j08A1 PHE 50 HD2 0.01 0.01 0.00 -0.04 7.28 7.26 2j08A1 PHE 50 HE2 0.03 0.00 -0.05 -0.04 7.38 7.32 2j08A1 PHE 50 HZ 0.06 0.04 -0.03 -0.04 7.32 7.36 2j08A1 LEU 51 H 0.11 0.68 -0.04 -0.55 8.37 8.58 2j08A1 LEU 51 HA -0.09 -0.07 0.02 -0.75 4.35 3.47 2j08A1 LEU 51 HB2 0.05 0.05 0.13 -0.04 1.64 1.82 2j08A1 LEU 51 HB3 0.01 0.05 0.01 -0.04 1.64 1.67 2j08A1 LEU 51 HG 0.16 0.09 0.05 -0.04 1.64 1.90 2j08A1 LEU 51 HD13 0.06 -0.00 -0.21 -0.04 0.93 0.74 2j08A1 LEU 51 HD23 0.09 -0.03 -0.04 -0.04 0.89 0.88 2j08A1 GLU 52 H -0.04 0.88 0.02 -0.55 8.60 8.92 2j08A1 GLU 52 HA -0.06 0.00 0.51 -0.75 4.29 3.98 2j08A1 GLU 52 HB2 0.01 0.09 0.13 -0.04 2.09 2.28 2j08A1 GLU 52 HB3 0.00 -0.07 0.10 -0.04 1.99 1.98 2j08A1 GLU 52 HG2 0.07 0.16 0.09 -0.04 2.34 2.62 2j08A1 GLU 52 HG3 0.08 -0.02 0.04 -0.04 2.34 2.40 2j08A1 ASN 53 H -0.44 0.60 0.04 -0.55 8.53 8.18 2j08A1 ASN 53 HA -0.28 -0.12 0.68 -0.75 4.76 4.28 2j08A1 ASN 53 HB2 -0.63 0.22 0.28 -0.04 2.88 2.71 2j08A1 ASN 53 HB3 -0.39 -0.04 0.20 -0.04 2.79 2.51 2j08A1 ASN 53 HD21 -3.64 -0.06 0.06 -0.04 7.03 3.34 2j08A1 ASN 53 HD22 -1.88 0.48 0.16 -0.04 7.74 6.46 2j08A1 VAL 54 H -0.39 0.57 -0.13 -0.55 8.24 7.74 2j08A1 VAL 54 HA -0.26 -0.00 0.31 -0.75 4.13 3.42 2j08A1 VAL 54 HB -0.18 0.19 0.11 -0.04 2.12 2.19 2j08A1 VAL 54 HG13 -0.09 -0.03 -0.09 -0.04 0.97 0.72 2j08A1 VAL 54 HG23 -0.54 0.04 -0.05 -0.04 0.95 0.35 2j08A1 ARG 55 H -0.15 0.63 -0.04 -0.55 8.46 8.35 2j08A1 ARG 55 HA -0.07 -0.02 0.44 -0.75 4.34 3.94 2j08A1 ARG 55 HB2 -0.06 0.06 0.15 -0.04 1.90 2.02 2j08A1 ARG 55 HB3 -0.06 0.18 0.26 -0.04 1.80 2.13 2j08A1 ARG 55 HG2 -0.03 -0.05 -0.11 -0.04 1.67 1.45 2j08A1 ARG 55 HG3 -0.03 -0.05 0.07 -0.04 1.67 1.62 2j08A1 ARG 55 HD2 -0.02 0.02 0.03 -0.04 3.22 3.21 2j08A1 ARG 55 HD3 -0.01 -0.05 0.00 -0.04 3.22 3.12 2j08A1 ALA 56 H -0.11 0.62 -0.08 -0.55 8.40 8.28 2j08A1 ALA 56 HA -0.03 -0.00 0.45 -0.75 4.34 4.01 2j08A1 ALA 56 HB3 -0.05 -0.01 0.02 -0.04 1.41 1.33 2j08A1 LEU 57 H -0.11 0.50 -0.36 -0.55 8.37 7.84 2j08A1 LEU 57 HA -0.02 -0.06 0.32 -0.75 4.35 3.85 2j08A1 LEU 57 HB2 -0.12 0.05 0.03 -0.04 1.64 1.56 2j08A1 LEU 57 HB3 -0.15 0.11 0.18 -0.04 1.64 1.73 2j08A1 LEU 57 HG -0.05 -0.03 -0.17 -0.04 1.64 1.35 2j08A1 LEU 57 HD13 -0.05 -0.01 -0.26 -0.04 0.93 0.57 2j08A1 LEU 57 HD23 -0.54 -0.01 -0.05 -0.04 0.89 0.25 2j08A1 ARG 58 H -0.07 0.58 -0.04 -0.55 8.46 8.37 2j08A1 ARG 58 HA -0.04 -0.00 0.41 -0.75 4.34 3.95 2j08A1 ARG 58 HB2 -0.09 0.04 0.09 -0.04 1.90 1.91 2j08A1 ARG 58 HB3 -0.05 0.12 0.16 -0.04 1.80 1.99 2j08A1 ARG 58 HG2 -0.01 -0.02 -0.27 -0.04 1.67 1.32 2j08A1 ARG 58 HG3 -0.03 -0.05 0.06 -0.04 1.67 1.61 2j08A1 ARG 58 HD2 -0.05 -0.01 -0.00 -0.04 3.22 3.11 2j08A1 ARG 58 HD3 -0.04 -0.04 -0.02 -0.04 3.22 3.07 2j08A1 GLU 59 H -0.01 0.53 -0.16 -0.55 8.60 8.42 2j08A1 GLU 59 HA 0.02 0.02 0.45 -0.75 4.29 4.02 2j08A1 GLU 59 HB2 -0.00 0.10 0.19 -0.04 2.09 2.33 2j08A1 GLU 59 HB3 0.01 -0.05 0.02 -0.04 1.99 1.93 2j08A1 GLU 59 HG2 -0.01 0.12 0.07 -0.04 2.34 2.48 2j08A1 GLU 59 HG3 -0.00 -0.04 0.02 -0.04 2.34 2.28 2j08A1 ALA 60 H 0.04 0.46 -0.36 -0.55 8.40 7.99 2j08A1 ALA 60 HA 0.02 -0.01 0.36 -0.75 4.34 3.96 2j08A1 ALA 60 HB3 0.03 0.01 0.11 -0.04 1.41 1.52 2j08A1 TYR 61 H 0.25 0.50 -0.05 -0.55 8.29 8.43 2j08A1 TYR 61 HA -0.01 0.02 0.40 -0.75 4.56 4.22 2j08A1 TYR 61 HB2 -0.01 0.04 0.05 -0.04 3.06 3.10 2j08A1 TYR 61 HB3 0.01 0.13 -0.52 -0.04 2.98 2.56 2j08A1 TYR 61 HD2 -0.02 0.05 -0.24 -0.04 7.15 6.89 2j08A1 TYR 61 HE2 -0.10 -0.01 -0.08 -0.04 6.85 6.62 2j08A1 ARG 62 H 0.11 0.95 0.06 -0.55 8.46 9.04 2j08A1 ARG 62 HA 0.07 0.13 0.47 -0.75 4.34 4.25 2j08A1 ARG 62 HB2 0.04 0.07 0.22 -0.04 1.90 2.18 2j08A1 ARG 62 HB3 0.03 -0.08 0.04 -0.04 1.80 1.75 2j08A1 ARG 62 HG2 0.03 -0.05 0.06 -0.04 1.67 1.67 2j08A1 ARG 62 HG3 0.04 0.05 0.09 -0.04 1.67 1.81 2j08A1 ARG 62 HD2 0.01 0.00 -0.14 -0.04 3.22 3.05 2j08A1 ARG 62 HD3 0.01 -0.06 -0.00 -0.04 3.22 3.12 2j08A1 ALA 63 H 0.04 0.40 -0.50 -0.55 8.40 7.80 2j08A1 ALA 63 HA 0.02 -0.01 0.12 -0.75 4.34 3.72 2j08A1 ALA 63 HB3 0.01 -0.00 0.07 -0.04 1.41 1.44 2j08A1 ARG 64 H 0.01 0.34 -0.30 -0.55 8.46 7.95 2j08A1 ARG 64 HA -0.01 0.17 0.92 -0.75 4.34 4.67 2j08A1 ARG 64 HB2 -0.06 0.14 0.11 -0.04 1.90 2.04 2j08A1 ARG 64 HB3 -0.05 -0.24 0.08 -0.04 1.80 1.54 2j08A1 ARG 64 HG2 -0.04 0.18 -0.12 -0.04 1.67 1.65 2j08A1 ARG 64 HG3 -0.03 -0.02 -0.07 -0.04 1.67 1.51 2j08A1 ARG 64 HD2 -0.07 0.04 -0.08 -0.04 3.22 3.07 2j08A1 ARG 64 HD3 -0.11 -0.08 -0.23 -0.04 3.22 2.76 2j08A1 GLY 65 H 0.03 0.41 -0.19 -0.55 8.43 8.14 2j08A1 GLY 65 HA2 0.03 0.01 0.27 -0.51 4.01 3.81 2j08A1 GLY 65 HA3 0.02 0.06 0.32 -0.51 4.01 3.90 2j08A1 GLY 66 H 0.06 0.33 -0.16 -0.55 8.43 8.12 2j08A1 GLY 66 HA2 0.10 0.37 0.60 -0.51 4.01 4.58 2j08A1 GLY 66 HA3 0.14 -0.09 0.10 -0.51 4.01 3.65 2j08A1 ALA 67 H 0.29 0.24 0.10 -0.55 8.40 8.49 2j08A1 ALA 67 HA 0.12 0.13 0.53 -0.75 4.34 4.37 2j08A1 ALA 67 HB3 0.17 0.09 -0.19 -0.04 1.41 1.44 2j08A1 LEU 68 H -0.01 0.26 0.07 -0.55 8.37 8.14 2j08A1 LEU 68 HA -0.30 0.09 0.61 -0.75 4.35 4.00 2j08A1 LEU 68 HB2 -0.92 -0.03 -0.14 -0.04 1.64 0.51 2j08A1 LEU 68 HB3 -0.23 -0.03 0.11 -0.04 1.64 1.45 2j08A1 LEU 68 HG -0.14 0.14 -0.34 -0.04 1.64 1.26 2j08A1 LEU 68 HD13 -0.45 -0.02 -0.20 -0.04 0.93 0.21 2j08A1 LEU 68 HD23 -0.22 -0.02 -0.15 -0.04 0.89 0.45 2j08A1 TRP 69 H 0.39 0.55 0.20 -0.55 7.97 8.56 2j08A1 TRP 69 HA -0.06 0.27 0.90 -0.75 4.62 4.97 2j08A1 TRP 69 HB2 -0.05 0.09 0.22 -0.04 3.23 3.45 2j08A1 TRP 69 HB3 -0.05 -0.05 -0.06 -0.04 3.23 3.02 2j08A1 TRP 69 HD1 -0.05 -0.09 -0.11 -0.04 7.22 6.93 2j08A1 TRP 69 HE1 -0.02 0.43 -0.21 -0.04 10.20 10.37 2j08A1 TRP 69 HE3 -0.05 -0.04 -0.09 -0.04 7.59 7.37 2j08A1 TRP 69 HZ2 -0.02 0.02 -0.18 -0.04 7.44 7.22 2j08A1 TRP 69 HZ3 -0.04 -0.04 -0.07 -0.04 7.13 6.94 2j08A1 TRP 69 HH2 -0.02 0.01 -0.08 -0.04 7.19 7.05 2j08A1 VAL 70 H -0.08 0.58 0.33 -0.55 8.24 8.52 2j08A1 VAL 70 HA 0.07 0.28 0.97 -0.75 4.13 4.70 2j08A1 VAL 70 HB -0.05 -0.03 -0.07 -0.04 2.12 1.94 2j08A1 VAL 70 HG13 0.02 -0.03 -0.18 -0.04 0.97 0.73 2j08A1 VAL 70 HG23 -0.03 -0.00 -0.25 -0.04 0.95 0.63 2j08A1 LEU 71 H 0.06 0.68 0.36 -0.55 8.37 8.93 2j08A1 LEU 71 HA -0.02 0.14 0.92 -0.75 4.35 4.63 2j08A1 LEU 71 HB2 0.03 -0.02 -0.14 -0.04 1.64 1.47 2j08A1 LEU 71 HB3 0.00 -0.02 -0.05 -0.04 1.64 1.52 2j08A1 LEU 71 HG 0.17 0.00 -0.35 -0.04 1.64 1.41 2j08A1 LEU 71 HD13 0.20 0.01 -0.13 -0.04 0.93 0.97 2j08A1 LEU 71 HD23 -0.03 0.04 -0.07 -0.04 0.89 0.79 2j08A1 GLU 72 H -0.02 0.23 0.17 -0.55 8.60 8.44 2j08A1 GLU 72 HA 0.00 0.17 0.85 -0.75 4.29 4.56 2j08A1 GLU 72 HB2 -0.00 0.03 -0.10 -0.04 2.09 1.98 2j08A1 GLU 72 HB3 -0.02 -0.02 0.15 -0.04 1.99 2.07 2j08A1 GLU 72 HG2 -0.01 -0.03 -0.02 -0.04 2.34 2.24 2j08A1 GLU 72 HG3 0.00 0.07 0.09 -0.04 2.34 2.46 2j08A1 GLY 73 H -0.04 0.68 0.32 -0.55 8.43 8.84 2j08A1 GLY 73 HA2 -0.07 -0.00 0.25 -0.51 4.01 3.68 2j08A1 GLY 73 HA3 -0.09 0.15 0.75 -0.51 4.01 4.30 2j08A1 LEU 74 H -0.25 0.15 0.15 -0.55 8.37 7.88 2j08A1 LEU 74 HA -0.49 0.17 0.50 -0.75 4.35 3.78 2j08A1 LEU 74 HB2 -0.86 -0.02 0.09 -0.04 1.64 0.80 2j08A1 LEU 74 HB3 -1.76 0.03 0.05 -0.04 1.64 -0.08 2j08A1 LEU 74 HG -0.20 -0.03 0.08 -0.04 1.64 1.45 2j08A1 LEU 74 HD13 0.09 0.03 0.01 -0.04 0.93 1.01 2j08A1 LEU 74 HD23 -0.06 0.01 -0.03 -0.04 0.89 0.77 2j08A1 PRO 75 HA -0.23 0.07 0.24 -0.51 4.44 4.00 2j08A1 PRO 75 HB2 0.29 0.06 0.01 -0.04 2.28 2.61 2j08A1 PRO 75 HB3 0.30 0.09 0.03 -0.04 2.02 2.40 2j08A1 PRO 75 HG2 0.32 0.03 0.05 -0.04 2.03 2.39 2j08A1 PRO 75 HG3 0.21 0.10 0.05 -0.04 2.03 2.36 2j08A1 PRO 75 HD2 -1.10 0.08 0.16 -0.04 3.68 2.77 2j08A1 PRO 75 HD3 -0.26 0.13 0.25 -0.04 3.65 3.72 2j08A1 TRP 76 H -0.73 0.09 -0.33 -0.55 7.97 6.45 2j08A1 TRP 76 HA -0.11 0.13 0.11 -0.75 4.62 4.00 2j08A1 TRP 76 HB2 -0.04 0.11 -0.03 -0.04 3.23 3.22 2j08A1 TRP 76 HB3 -0.07 0.02 -0.31 -0.04 3.23 2.83 2j08A1 TRP 76 HD1 0.02 0.06 -0.17 -0.04 7.22 7.08 2j08A1 TRP 76 HE1 0.09 0.01 -0.04 -0.04 10.20 10.21 2j08A1 TRP 76 HE3 -0.01 0.02 -0.02 -0.04 7.59 7.55 2j08A1 TRP 76 HZ2 0.21 0.01 -0.01 -0.04 7.44 7.61 2j08A1 TRP 76 HZ3 0.07 -0.03 0.02 -0.04 7.13 7.16 2j08A1 TRP 76 HH2 0.47 -0.01 -0.01 -0.04 7.19 7.61 2j08A1 GLU 77 H -0.40 0.27 -0.49 -0.55 8.60 7.43 2j08A1 GLU 77 HA -0.03 0.21 0.75 -0.75 4.29 4.47 2j08A1 GLU 77 HB2 -0.30 -0.12 0.12 -0.04 2.09 1.76 2j08A1 GLU 77 HB3 -0.13 0.00 0.11 -0.04 1.99 1.93 2j08A1 GLU 77 HG2 -0.01 0.02 0.08 -0.04 2.34 2.38 2j08A1 GLU 77 HG3 0.04 0.11 0.05 -0.04 2.34 2.51 2j08A1 LYS 78 H -0.23 0.38 -0.04 -0.55 8.42 7.98 2j08A1 LYS 78 HA -0.09 0.10 0.09 -0.75 4.32 3.66 2j08A1 LYS 78 HB2 -0.14 0.02 -0.25 -0.04 1.87 1.45 2j08A1 LYS 78 HB3 -0.06 -0.01 -0.15 -0.04 1.79 1.53 2j08A1 LYS 78 HG2 -0.14 -0.14 -0.20 -0.04 1.46 0.95 2j08A1 LYS 78 HG3 -0.13 -0.03 -0.55 -0.04 1.46 0.71 2j08A1 LYS 78 HD2 -0.06 0.43 -0.00 -0.04 1.69 2.01 2j08A1 LYS 78 HD3 -0.04 -0.12 -0.22 -0.04 1.68 1.26 2j08A1 LYS 78 HE2 -0.02 -0.01 -0.07 -0.04 2.99 2.85 2j08A1 LYS 78 HE3 -0.05 -0.02 -0.27 -0.04 2.99 2.61 2j08A1 VAL 79 H -0.32 0.79 0.13 -0.55 8.24 8.30 2j08A1 VAL 79 HA -0.39 0.02 0.36 -0.75 4.13 3.37 2j08A1 VAL 79 HB -0.44 0.08 0.02 -0.04 2.12 1.74 2j08A1 VAL 79 HG13 -0.43 0.00 -0.15 -0.04 0.97 0.35 2j08A1 VAL 79 HG23 -1.57 -0.00 -0.02 -0.04 0.95 -0.69 2j08A1 PRO 80 HA -0.10 0.08 0.34 -0.51 4.44 4.25 2j08A1 PRO 80 HB2 -0.04 0.04 -0.03 -0.04 2.28 2.21 2j08A1 PRO 80 HB3 -0.04 0.12 -0.05 -0.04 2.02 2.00 2j08A1 PRO 80 HG2 0.01 0.24 -0.11 -0.04 2.03 2.12 2j08A1 PRO 80 HG3 -0.05 0.05 -0.19 -0.04 2.03 1.81 2j08A1 PRO 80 HD2 -0.10 0.03 -0.73 -0.04 3.68 2.83 2j08A1 PRO 80 HD3 -0.16 0.06 -0.02 -0.04 3.65 3.49 2j08A1 GLU 81 H -0.07 0.36 -0.25 -0.55 8.60 8.10 2j08A1 GLU 81 HA -0.02 -0.01 0.24 -0.75 4.29 3.75 2j08A1 GLU 81 HB2 -0.02 0.03 0.06 -0.04 2.09 2.13 2j08A1 GLU 81 HB3 -0.02 0.04 0.08 -0.04 1.99 2.05 2j08A1 GLU 81 HG2 0.09 0.02 -0.40 -0.04 2.34 2.01 2j08A1 GLU 81 HG3 0.03 -0.03 -0.01 -0.04 2.34 2.29 2j08A1 ALA 82 H -0.07 0.62 -0.13 -0.55 8.40 8.28 2j08A1 ALA 82 HA -0.08 -0.01 0.54 -0.75 4.34 4.04 2j08A1 ALA 82 HB3 -0.16 0.00 0.03 -0.04 1.41 1.24 2j08A1 ALA 83 H -0.15 0.70 -0.13 -0.55 8.40 8.27 2j08A1 ALA 83 HA -0.15 -0.02 0.44 -0.75 4.34 3.85 2j08A1 ALA 83 HB3 -0.10 0.02 0.02 -0.04 1.41 1.31 2j08A1 ARG 84 H -0.07 0.57 -0.11 -0.55 8.46 8.30 2j08A1 ARG 84 HA -0.04 0.05 0.36 -0.75 4.34 3.95 2j08A1 ARG 84 HB2 -0.02 0.05 0.09 -0.04 1.90 1.98 2j08A1 ARG 84 HB3 -0.01 -0.05 -0.27 -0.04 1.80 1.43 2j08A1 ARG 84 HG2 -0.02 -0.01 -0.01 -0.04 1.67 1.58 2j08A1 ARG 84 HG3 -0.03 0.05 -0.03 -0.04 1.67 1.62 2j08A1 ARG 84 HD2 -0.00 -0.03 -0.05 -0.04 3.22 3.09 2j08A1 ARG 84 HD3 -0.01 -0.02 -0.04 -0.04 3.22 3.11 2j08A1 ARG 85 H -0.02 0.71 0.05 -0.55 8.46 8.64 2j08A1 ARG 85 HA 0.03 -0.00 0.52 -0.75 4.34 4.13 2j08A1 ARG 85 HB2 0.18 0.02 0.13 -0.04 1.90 2.19 2j08A1 ARG 85 HB3 0.20 -0.08 0.14 -0.04 1.80 2.02 2j08A1 ARG 85 HG2 0.07 -0.08 0.04 -0.04 1.67 1.66 2j08A1 ARG 85 HG3 0.06 0.31 0.16 -0.04 1.67 2.16 2j08A1 ARG 85 HD2 0.09 -0.08 -0.02 -0.04 3.22 3.17 2j08A1 ARG 85 HD3 0.22 -0.02 -0.11 -0.04 3.22 3.27 2j08A1 LEU 86 H -0.18 0.42 -0.52 -0.55 8.37 7.56 2j08A1 LEU 86 HA -0.10 0.11 0.34 -0.75 4.35 3.95 2j08A1 LEU 86 HB2 -0.30 0.08 -0.09 -0.04 1.64 1.29 2j08A1 LEU 86 HB3 -0.22 -0.01 -0.04 -0.04 1.64 1.33 2j08A1 LEU 86 HG -0.81 -0.11 -0.19 -0.04 1.64 0.49 2j08A1 LEU 86 HD13 -1.03 -0.01 -0.11 -0.04 0.93 -0.25 2j08A1 LEU 86 HD23 -0.21 -0.00 -0.08 -0.04 0.89 0.56 2j08A1 LYS 87 H -0.07 0.28 -0.30 -0.55 8.42 7.77 2j08A1 LYS 87 HA -0.05 0.01 0.39 -0.75 4.32 3.93 2j08A1 LYS 87 HB2 -0.03 0.14 0.03 -0.04 1.87 1.97 2j08A1 LYS 87 HB3 -0.02 -0.07 0.19 -0.04 1.79 1.84 2j08A1 LYS 87 HG2 -0.02 -0.05 0.03 -0.04 1.46 1.38 2j08A1 LYS 87 HG3 -0.02 0.09 -0.18 -0.04 1.46 1.30 2j08A1 LYS 87 HD2 -0.01 0.02 -0.07 -0.04 1.69 1.59 2j08A1 LYS 87 HD3 -0.01 -0.06 -0.01 -0.04 1.68 1.57 2j08A1 LYS 87 HE2 -0.00 -0.00 -0.01 -0.04 2.99 2.94 2j08A1 LYS 87 HE3 0.00 0.03 -0.02 -0.04 2.99 2.96 2j08A1 ALA 88 H -0.09 0.33 0.08 -0.55 8.40 8.18 2j08A1 ALA 88 HA -0.05 0.28 0.25 -0.75 4.34 4.06 2j08A1 ALA 88 HB3 -0.08 -0.06 0.01 -0.04 1.41 1.24 2j08A1 LYS 89 H 0.00 0.45 0.15 -0.55 8.42 8.48 2j08A1 LYS 89 HA -0.01 0.10 0.64 -0.75 4.32 4.30 2j08A1 LYS 89 HB2 0.05 0.01 -0.07 -0.04 1.87 1.82 2j08A1 LYS 89 HB3 0.03 -0.10 0.07 -0.04 1.79 1.74 2j08A1 ALA 90 H 0.02 0.20 0.08 -0.55 8.40 8.15 2j08A1 ALA 90 HA -0.09 0.13 0.21 -0.75 4.34 3.84 2j08A1 ALA 90 HB3 -0.02 0.04 -0.00 -0.04 1.41 1.39 2j08A1 VAL 91 H -0.19 0.61 0.27 -0.55 8.24 8.38 2j08A1 VAL 91 HA 0.08 0.25 1.01 -0.75 4.13 4.72 2j08A1 VAL 91 HB -0.02 -0.02 0.07 -0.04 2.12 2.11 2j08A1 VAL 91 HG13 0.15 -0.03 -0.12 -0.04 0.97 0.93 2j08A1 VAL 91 HG23 -0.08 0.01 -0.24 -0.04 0.95 0.60 2j08A1 TYR 92 H 0.27 0.56 0.34 -0.55 8.29 8.91 2j08A1 TYR 92 HA 0.12 0.30 1.01 -0.75 4.56 5.25 2j08A1 TYR 92 HB2 0.05 0.05 0.08 -0.04 3.06 3.21 2j08A1 TYR 92 HB3 0.05 -0.09 -0.01 -0.04 2.98 2.89 2j08A1 TYR 92 HD2 0.07 0.03 -0.16 -0.04 7.15 7.05 2j08A1 TYR 92 HE2 -0.04 -0.00 -0.16 -0.04 6.85 6.61 2j08A1 ALA 93 H 0.15 0.57 0.39 -0.55 8.40 8.96 2j08A1 ALA 93 HA 0.05 0.15 0.71 -0.75 4.34 4.50 2j08A1 ALA 93 HB3 -0.09 -0.01 -0.09 -0.04 1.41 1.18 2j08A1 LEU 94 H -0.11 0.17 0.18 -0.55 8.37 8.07 2j08A1 LEU 94 HA -0.05 0.29 0.78 -0.75 4.35 4.62 2j08A1 LEU 94 HB2 -0.14 -0.06 0.18 -0.04 1.64 1.57 2j08A1 LEU 94 HB3 -0.13 0.05 0.12 -0.04 1.64 1.64 2j08A1 LEU 94 HG -0.09 -0.08 0.06 -0.04 1.64 1.49 2j08A1 LEU 94 HD13 -0.45 0.00 0.11 -0.04 0.93 0.56 2j08A1 LEU 94 HD23 -0.09 -0.01 -0.11 -0.04 0.89 0.64 2j08A1 THR 95 H -0.06 0.57 0.04 -0.55 8.28 8.29 2j08A1 THR 95 HA -0.15 0.03 0.33 -0.75 4.39 3.84 2j08A1 THR 95 HB -0.11 -0.10 -0.10 -0.04 4.32 3.97 2j08A1 THR 95 HG23 -0.49 -0.00 -0.20 -0.04 1.22 0.49 2j08A1 SER 96 H -0.24 0.23 0.10 -0.55 8.46 8.00 2j08A1 SER 96 HA -0.14 0.18 0.82 -0.75 4.49 4.60 2j08A1 SER 96 HB2 -0.14 0.15 0.05 -0.04 3.95 3.97 2j08A1 SER 96 HB3 -0.13 -0.02 0.16 -0.04 3.93 3.90 2j08A1 HIS 97 H -0.01 0.18 0.03 -0.55 8.41 8.07 2j08A1 HIS 97 HA 0.05 0.31 0.96 -0.75 4.63 5.19 2j08A1 HIS 97 HB2 -0.06 -0.03 0.03 -0.04 3.26 3.16 2j08A1 HIS 97 HB3 0.07 0.09 0.13 -0.04 3.20 3.45 2j08A1 HIS 97 HD2 0.03 0.05 -0.05 -0.04 6.97 6.96 2j08A1 HIS 97 HE1 -0.05 -0.01 -0.09 -0.04 7.75 7.56 2j08A1 THR 98 H 0.05 -0.05 -0.31 -0.55 8.28 7.42 2j08A1 THR 98 HA 0.12 0.33 0.72 -0.75 4.39 4.81 2j08A1 THR 98 HB 0.12 0.07 0.15 -0.04 4.32 4.61 2j08A1 THR 98 HG23 0.07 0.01 0.02 -0.04 1.22 1.29 2j08A1 PRO 99 HA 0.08 0.16 0.22 -0.51 4.44 4.39 2j08A1 PRO 99 HB2 0.09 0.00 0.16 -0.04 2.28 2.50 2j08A1 PRO 99 HB3 0.06 0.08 0.13 -0.04 2.02 2.25 2j08A1 PRO 99 HG2 0.05 0.10 0.10 -0.04 2.03 2.24 2j08A1 PRO 99 HG3 0.03 0.15 0.06 -0.04 2.03 2.23 2j08A1 PRO 99 HD2 0.10 0.06 0.22 -0.04 3.68 4.02 2j08A1 PRO 99 HD3 0.09 0.19 0.24 -0.04 3.65 4.13 2j08A1 TYR 100 H 0.22 0.06 -0.24 -0.55 8.29 7.77 2j08A1 TYR 100 HA 0.16 0.16 0.10 -0.75 4.56 4.23 2j08A1 TYR 100 HB2 0.10 0.07 0.01 -0.04 3.06 3.20 2j08A1 TYR 100 HB3 0.09 -0.03 0.03 -0.04 2.98 3.03 2j08A1 TYR 100 HD2 0.17 0.02 -0.08 -0.04 7.15 7.22 2j08A1 TYR 100 HE2 0.35 0.03 -0.04 -0.04 6.85 7.14 2j08A1 GLY 101 H 0.13 -0.00 -0.10 -0.55 8.43 7.91 2j08A1 GLY 101 HA2 -0.12 0.03 0.53 -0.51 4.01 3.94 2j08A1 GLY 101 HA3 -0.04 0.02 0.26 -0.51 4.01 3.74 2j08A1 ARG 102 H 0.02 0.75 -0.24 -0.55 8.46 8.44 2j08A1 ARG 102 HA -0.05 0.02 0.17 -0.75 4.34 3.73 2j08A1 ARG 102 HB2 0.04 0.09 0.02 -0.04 1.90 2.01 2j08A1 ARG 102 HB3 0.02 -0.03 -0.11 -0.04 1.80 1.64 2j08A1 ARG 102 HG2 0.01 -0.03 -0.01 -0.04 1.67 1.60 2j08A1 ARG 102 HG3 0.05 0.06 -0.11 -0.04 1.67 1.63 2j08A1 ARG 102 HD2 0.04 -0.03 -0.04 -0.04 3.22 3.14 2j08A1 ARG 102 HD3 0.10 0.01 -0.04 -0.04 3.22 3.25 2j08A1 TYR 103 H 0.05 0.28 -0.25 -0.55 8.29 7.82 2j08A1 TYR 103 HA -0.10 0.05 0.46 -0.75 4.56 4.22 2j08A1 TYR 103 HB2 -0.03 0.03 0.12 -0.04 3.06 3.14 2j08A1 TYR 103 HB3 -0.06 0.02 0.21 -0.04 2.98 3.11 2j08A1 TYR 103 HD2 -0.06 0.01 -0.02 -0.04 7.15 7.03 2j08A1 TYR 103 HE2 -0.33 -0.02 -0.03 -0.04 6.85 6.43 2j08A1 ARG 104 H -0.35 0.83 0.07 -0.55 8.46 8.46 2j08A1 ARG 104 HA -0.40 -0.03 0.43 -0.75 4.34 3.59 2j08A1 ARG 104 HB2 -0.33 -0.06 0.07 -0.04 1.90 1.54 2j08A1 ARG 104 HB3 -0.44 0.13 0.18 -0.04 1.80 1.63 2j08A1 ARG 104 HG2 0.32 0.08 -0.56 -0.04 1.67 1.47 2j08A1 ARG 104 HG3 0.53 -0.12 -0.07 -0.04 1.67 1.97 2j08A1 ARG 104 HD2 0.54 0.00 -0.06 -0.04 3.22 3.66 2j08A1 ARG 104 HD3 0.17 -0.03 -0.03 -0.04 3.22 3.29 2j08A1 ASP 105 H -0.10 0.42 0.03 -0.55 8.40 8.20 2j08A1 ASP 105 HA 0.12 -0.02 0.55 -0.75 4.63 4.53 2j08A1 ASP 105 HB2 -0.08 0.15 0.10 -0.04 2.71 2.84 2j08A1 ASP 105 HB3 -0.02 0.00 0.05 -0.04 2.70 2.69 2j08A1 GLY 106 H -0.17 0.48 -0.39 -0.55 8.43 7.81 2j08A1 GLY 106 HA2 -0.09 0.01 0.16 -0.51 4.01 3.58 2j08A1 GLY 106 HA3 -0.16 0.07 0.32 -0.51 4.01 3.73 2j08A1 ARG 107 H -0.51 0.51 0.07 -0.55 8.46 7.99 2j08A1 ARG 107 HA -0.28 0.01 0.58 -0.75 4.34 3.90 2j08A1 ARG 107 HB2 -1.03 0.16 0.26 -0.04 1.90 1.24 2j08A1 ARG 107 HB3 -0.71 -0.10 -0.01 -0.04 1.80 0.93 2j08A1 ARG 107 HG2 -0.61 0.01 0.08 -0.04 1.67 1.11 2j08A1 ARG 107 HG3 -1.17 -0.05 0.04 -0.04 1.67 0.44 2j08A1 ARG 107 HD2 -0.51 -0.01 0.04 -0.04 3.22 2.69 2j08A1 ARG 107 HD3 -0.30 0.02 0.05 -0.04 3.22 2.95 2j08A1 VAL 108 H 0.02 0.81 -0.08 -0.55 8.24 8.43 2j08A1 VAL 108 HA 0.13 -0.04 0.41 -0.75 4.13 3.87 2j08A1 VAL 108 HB 0.20 0.10 -0.01 -0.04 2.12 2.36 2j08A1 VAL 108 HG13 -0.06 -0.00 -0.21 -0.04 0.97 0.66 2j08A1 VAL 108 HG23 0.27 0.01 -0.23 -0.04 0.95 0.97 2j08A1 ARG 109 H -0.02 0.49 -0.24 -0.55 8.46 8.14 2j08A1 ARG 109 HA -0.02 0.06 0.46 -0.75 4.34 4.08 2j08A1 ARG 109 HB2 -0.02 -0.08 0.08 -0.04 1.90 1.84 2j08A1 ARG 109 HB3 -0.03 0.13 0.15 -0.04 1.80 2.01 2j08A1 ARG 109 HG2 -0.04 -0.01 -0.06 -0.04 1.67 1.52 2j08A1 ARG 109 HG3 -0.05 0.04 0.04 -0.04 1.67 1.66 2j08A1 ARG 109 HD2 -0.04 -0.04 0.01 -0.04 3.22 3.11 2j08A1 ARG 109 HD3 -0.05 -0.01 0.06 -0.04 3.22 3.18 2j08A1 GLU 110 H -0.05 0.27 -0.22 -0.55 8.60 8.05 2j08A1 GLU 110 HA -0.04 0.08 0.36 -0.75 4.29 3.94 2j08A1 GLU 110 HB2 -0.07 0.03 0.14 -0.04 2.09 2.15 2j08A1 GLU 110 HB3 -0.04 -0.06 -0.07 -0.04 1.99 1.78 2j08A1 GLU 110 HG2 -0.05 -0.06 -0.00 -0.04 2.34 2.19 2j08A1 GLU 110 HG3 -0.06 0.03 -0.01 -0.04 2.34 2.26 2j08A1 ALA 111 H -0.00 0.31 -0.06 -0.55 8.40 8.10 2j08A1 ALA 111 HA 0.00 0.04 0.67 -0.75 4.34 4.30 2j08A1 ALA 111 HB3 0.05 -0.04 0.15 -0.04 1.41 1.53 2j08A1 LEU 112 H -0.02 0.45 -0.20 -0.55 8.37 8.05 2j08A1 LEU 112 HA -0.05 -0.03 0.45 -0.75 4.35 3.96 2j08A1 LEU 112 HB2 -0.05 0.12 0.11 -0.04 1.64 1.78 2j08A1 LEU 112 HB3 -0.06 0.09 -0.12 -0.04 1.64 1.50 2j08A1 LEU 112 HG -0.08 -0.06 -0.08 -0.04 1.64 1.38 2j08A1 LEU 112 HD13 -0.06 -0.01 -0.24 -0.04 0.93 0.59 2j08A1 LEU 112 HD23 -0.10 -0.02 -0.17 -0.04 0.89 0.56 2j08A1 PRO 113 HA -0.03 0.16 0.65 -0.51 4.44 4.70 2j08A1 PRO 113 HB2 -0.03 -0.02 0.06 -0.04 2.28 2.26 2j08A1 PRO 113 HB3 -0.02 -0.01 0.07 -0.04 2.02 2.02 2j08A1 PRO 113 HG2 -0.04 0.06 -0.07 -0.04 2.03 1.94 2j08A1 PRO 113 HG3 -0.03 -0.03 0.02 -0.04 2.03 1.95 2j08A1 PRO 113 HD2 -0.05 0.01 0.19 -0.04 3.68 3.80 2j08A1 PRO 113 HD3 -0.03 0.30 0.25 -0.04 3.65 4.13 2j08A1 VAL 114 H -0.06 0.11 -0.24 -0.55 8.24 7.49 2j08A1 VAL 114 HA -0.06 0.15 0.68 -0.75 4.13 4.14 2j08A1 VAL 114 HB -0.06 0.27 -0.03 -0.04 2.12 2.26 2j08A1 VAL 114 HG13 -0.04 0.04 -0.17 -0.04 0.97 0.76 2j08A1 VAL 114 HG23 -0.08 -0.01 -0.29 -0.04 0.95 0.53 2j08A1 PRO 115 HA -0.19 0.06 0.48 -0.51 4.44 4.28 2j08A1 PRO 115 HB2 -0.63 -0.01 -0.05 -0.04 2.28 1.55 2j08A1 PRO 115 HB3 -0.49 -0.01 -0.02 -0.04 2.02 1.46 2j08A1 PRO 115 HG2 -0.06 0.03 0.07 -0.04 2.03 2.03 2j08A1 PRO 115 HG3 -0.10 0.01 0.04 -0.04 2.03 1.94 2j08A1 PRO 115 HD2 -0.08 0.34 0.29 -0.04 3.68 4.19 2j08A1 PRO 115 HD3 -0.06 0.12 0.18 -0.04 3.65 3.85 2j08A1 LEU 116 H -0.22 0.18 0.11 -0.55 8.37 7.89 2j08A1 LEU 116 HA -0.17 0.18 0.79 -0.75 4.35 4.39 2j08A1 LEU 116 HB2 -0.04 0.08 -0.07 -0.04 1.64 1.57 2j08A1 LEU 116 HB3 -0.06 -0.03 0.16 -0.04 1.64 1.67 2j08A1 LEU 116 HG 0.01 -0.06 -0.30 -0.04 1.64 1.26 2j08A1 LEU 116 HD13 0.17 0.02 -0.19 -0.04 0.93 0.88 2j08A1 LEU 116 HD23 0.12 -0.02 -0.10 -0.04 0.89 0.84 2j08A1 HIS 117 H -0.30 0.77 0.25 -0.55 8.41 8.59 2j08A1 HIS 117 HA -0.10 0.12 0.87 -0.75 4.63 4.77 2j08A1 HIS 117 HB2 -0.74 0.02 0.20 -0.04 3.26 2.70 2j08A1 HIS 117 HB3 -0.06 -0.02 -0.00 -0.04 3.20 3.07 2j08A1 HIS 117 HD2 -0.06 -0.02 -0.02 -0.04 6.97 6.83 2j08A1 HIS 117 HE1 -0.08 0.06 -0.06 -0.04 7.75 7.63 2j08A1 LEU 118 H 0.04 0.19 0.11 -0.55 8.37 8.17 2j08A1 LEU 118 HA 0.04 0.27 0.84 -0.75 4.35 4.74 2j08A1 LEU 118 HB2 -0.01 -0.00 0.01 -0.04 1.64 1.60 2j08A1 LEU 118 HB3 -0.04 -0.08 -0.25 -0.04 1.64 1.22 2j08A1 LEU 118 HG -0.01 0.06 -0.23 -0.04 1.64 1.41 2j08A1 LEU 118 HD13 -0.06 -0.02 -0.09 -0.04 0.93 0.72 2j08A1 LEU 118 HD23 -0.03 0.02 -0.33 -0.04 0.89 0.50 2j08A1 LEU 119 H 0.03 0.63 0.43 -0.55 8.37 8.91 2j08A1 LEU 119 HA 0.04 0.21 0.71 -0.75 4.35 4.56 2j08A1 LEU 119 HB2 0.06 -0.03 -0.07 -0.04 1.64 1.57 2j08A1 LEU 119 HB3 0.02 0.07 -0.17 -0.04 1.64 1.52 2j08A1 LEU 119 HG 0.07 0.07 -0.23 -0.04 1.64 1.51 2j08A1 LEU 119 HD13 0.18 -0.01 -0.24 -0.04 0.93 0.82 2j08A1 LEU 119 HD23 0.03 0.00 -0.13 -0.04 0.89 0.75 2j08A1 PRO 120 HA 0.06 -0.04 0.34 -0.51 4.44 4.28 2j08A1 PRO 120 HB2 0.04 0.05 0.00 -0.04 2.28 2.33 2j08A1 PRO 120 HB3 0.08 0.02 0.07 -0.04 2.02 2.15 2j08A1 PRO 120 HG2 0.03 0.05 0.07 -0.04 2.03 2.14 2j08A1 PRO 120 HG3 0.05 0.04 0.09 -0.04 2.03 2.17 2j08A1 PRO 120 HD2 0.02 0.11 0.13 -0.04 3.68 3.90 2j08A1 PRO 120 HD3 0.03 0.19 0.26 -0.04 3.65 4.10 2j08A1 ALA 121 H 0.03 0.06 0.20 -0.55 8.40 8.15 2j08A1 ALA 121 HA -0.13 0.11 0.66 -0.75 4.34 4.23 2j08A1 ALA 121 HB3 -0.17 0.02 0.11 -0.04 1.41 1.33 2j08A1 PRO 122 HA -0.01 0.13 0.70 -0.51 4.44 4.75 2j08A1 PRO 122 HB2 -0.01 -0.14 0.07 -0.04 2.28 2.16 2j08A1 PRO 122 HB3 -0.03 0.06 0.11 -0.04 2.02 2.13 2j08A1 PRO 122 HG2 -0.08 -0.07 0.23 -0.04 2.03 2.07 2j08A1 PRO 122 HG3 -0.07 0.16 0.16 -0.04 2.03 2.24 2j08A1 PRO 122 HD2 -0.19 0.07 0.30 -0.04 3.68 3.82 2j08A1 PRO 122 HD3 -0.12 0.13 0.20 -0.04 3.65 3.82 2j08A1 HIS 123 H 0.12 0.32 0.21 -0.55 8.41 8.51 2j08A1 HIS 123 HA 0.06 0.08 0.70 -0.75 4.63 4.72 2j08A1 HIS 123 HB2 0.06 0.01 -0.24 -0.04 3.26 3.05 2j08A1 HIS 123 HB3 0.09 0.04 -0.07 -0.04 3.20 3.22 2j08A1 HIS 123 HD2 0.03 0.07 -0.09 -0.04 6.97 6.93 2j08A1 HIS 123 HE1 -0.18 -0.04 0.00 -0.04 7.75 7.49 2j08A1 LEU 124 H 0.16 0.09 0.09 -0.55 8.37 8.17 2j08A1 LEU 124 HA 0.24 0.10 0.63 -0.75 4.35 4.56 2j08A1 LEU 124 HB2 -0.04 -0.05 0.08 -0.04 1.64 1.59 2j08A1 LEU 124 HB3 -0.26 0.05 -0.07 -0.04 1.64 1.32 2j08A1 LEU 124 HG 0.08 0.01 -0.05 -0.04 1.64 1.65 2j08A1 LEU 124 HD13 0.02 0.01 -0.21 -0.04 0.93 0.71 2j08A1 LEU 124 HD23 -0.31 -0.01 -0.09 -0.04 0.89 0.44 2j08A1 LEU 125 H 0.10 0.12 0.09 -0.55 8.37 8.13 2j08A1 LEU 125 HA 0.05 0.23 0.54 -0.75 4.35 4.41 2j08A1 LEU 125 HB2 -0.05 -0.13 -0.04 -0.04 1.64 1.37 2j08A1 LEU 125 HB3 -0.08 0.13 -0.10 -0.04 1.64 1.55 2j08A1 LEU 125 HG -0.10 -0.09 -0.33 -0.04 1.64 1.08 2j08A1 LEU 125 HD13 -1.03 -0.01 -0.12 -0.04 0.93 -0.28 2j08A1 LEU 125 HD23 -0.07 0.05 -0.11 -0.04 0.89 0.72 2j08A1 PRO 126 HA -0.25 0.12 0.27 -0.51 4.44 4.08 2j08A1 PRO 126 HB2 -0.07 -0.11 -0.07 -0.04 2.28 2.00 2j08A1 PRO 126 HB3 -0.03 0.06 0.04 -0.04 2.02 2.05 2j08A1 PRO 126 HG2 0.01 0.06 0.01 -0.04 2.03 2.06 2j08A1 PRO 126 HG3 0.03 0.08 -0.01 -0.04 2.03 2.09 2j08A1 PRO 126 HD2 0.03 0.11 0.12 -0.04 3.68 3.90 2j08A1 PRO 126 HD3 0.02 0.18 0.15 -0.04 3.65 3.96 2j08A1 PRO 127 HA 0.13 0.19 0.62 -0.51 4.44 4.87 2j08A1 PRO 127 HB2 -0.12 0.12 -0.17 -0.04 2.28 2.07 2j08A1 PRO 127 HB3 0.04 -0.07 -0.14 -0.04 2.02 1.81 2j08A1 PRO 127 HG2 -0.40 0.07 -0.12 -0.04 2.03 1.53 2j08A1 PRO 127 HG3 -0.08 -0.04 -0.01 -0.04 2.03 1.85 2j08A1 PRO 127 HD2 -0.23 0.07 0.15 -0.04 3.68 3.63 2j08A1 PRO 127 HD3 -0.67 0.13 0.14 -0.04 3.65 3.21 2j08A1 ASP 128 H -0.28 0.03 -0.34 -0.55 8.40 7.27 2j08A1 ASP 128 HA -0.83 0.42 1.17 -0.75 4.63 4.63 2j08A1 ASP 128 HB2 -0.64 0.04 0.16 -0.04 2.71 2.24 2j08A1 ASP 128 HB3 -1.56 -0.00 -0.04 -0.04 2.70 1.06 2j08A1 LEU 129 H 0.18 0.14 -0.41 -0.55 8.37 7.73 2j08A1 LEU 129 HA 0.06 0.05 0.35 -0.75 4.35 4.05 2j08A1 LEU 129 HB2 0.28 0.04 -0.01 -0.04 1.64 1.91 2j08A1 LEU 129 HB3 0.25 0.06 -0.20 -0.04 1.64 1.71 2j08A1 LEU 129 HG 0.10 -0.03 0.02 -0.04 1.64 1.69 2j08A1 LEU 129 HD13 0.04 -0.00 -0.04 -0.04 0.93 0.88 2j08A1 LEU 129 HD23 0.11 0.01 -0.01 -0.04 0.89 0.97 2j08A1 PRO 130 HA 0.08 0.07 0.29 -0.51 4.44 4.37 2j08A1 PRO 130 HB2 0.04 -0.00 0.10 -0.04 2.28 2.37 2j08A1 PRO 130 HB3 0.04 0.02 0.14 -0.04 2.02 2.18 2j08A1 PRO 130 HG2 0.06 -0.10 0.12 -0.04 2.03 2.08 2j08A1 PRO 130 HG3 0.04 0.04 0.10 -0.04 2.03 2.17 2j08A1 PRO 130 HD2 0.08 0.06 0.17 -0.04 3.68 3.95 2j08A1 PRO 130 HD3 0.04 0.13 0.20 -0.04 3.65 3.97 2j08A1 ARG 131 H 0.06 0.03 -0.05 -0.55 8.46 7.94 2j08A1 ARG 131 HA -0.05 0.03 0.26 -0.75 4.34 3.82 2j08A1 ARG 131 HB2 -0.07 -0.04 0.05 -0.04 1.90 1.81 2j08A1 ARG 131 HB3 -0.52 -0.00 -0.26 -0.04 1.80 0.98 2j08A1 ARG 131 HG2 -0.13 0.01 -0.01 -0.04 1.67 1.50 2j08A1 ARG 131 HG3 -0.15 0.00 -0.05 -0.04 1.67 1.44 2j08A1 ARG 131 HD2 -1.14 -0.02 -0.33 -0.04 3.22 1.69 2j08A1 ARG 131 HD3 -0.29 0.03 -0.10 -0.04 3.22 2.83 2j08A1 ALA 132 H -0.13 0.08 0.15 -0.55 8.40 7.95 2j08A1 ALA 132 HA -0.49 0.20 0.46 -0.75 4.34 3.75 2j08A1 ALA 132 HB3 -0.05 0.02 0.07 -0.04 1.41 1.41 2j08A1 TYR 133 H 0.59 0.22 0.14 -0.55 8.29 8.69 2j08A1 TYR 133 HA 0.16 0.08 0.40 -0.75 4.56 4.44 2j08A1 TYR 133 HB2 0.10 0.05 0.04 -0.04 3.06 3.22 2j08A1 TYR 133 HB3 0.09 -0.10 0.08 -0.04 2.98 3.01 2j08A1 TYR 133 HD2 -0.04 0.00 -0.04 -0.04 7.15 7.03 2j08A1 TYR 133 HE2 0.02 0.03 -0.11 -0.04 6.85 6.76 2j08A1 ARG 134 H 0.20 0.11 0.20 -0.55 8.46 8.42 2j08A1 ARG 134 HA 0.15 0.29 0.91 -0.75 4.34 4.93 2j08A1 ARG 134 HB2 0.04 -0.05 0.03 -0.04 1.90 1.88 2j08A1 ARG 134 HB3 -0.11 0.05 0.18 -0.04 1.80 1.89 2j08A1 ARG 134 HG2 -0.11 0.08 -0.11 -0.04 1.67 1.49 2j08A1 ARG 134 HG3 0.02 -0.04 0.06 -0.04 1.67 1.67 2j08A1 ARG 134 HD2 -0.07 -0.02 0.01 -0.04 3.22 3.10 2j08A1 ARG 134 HD3 -0.29 0.02 0.02 -0.04 3.22 2.93 2j08A1 VAL 135 H 0.22 0.05 0.08 -0.55 8.24 8.05 2j08A1 VAL 135 HA 0.13 0.14 0.88 -0.75 4.13 4.52 2j08A1 VAL 135 HB 0.07 -0.01 0.05 -0.04 2.12 2.19 2j08A1 VAL 135 HG13 0.05 -0.04 -0.01 -0.04 0.97 0.93 2j08A1 VAL 135 HG23 0.10 0.02 -0.08 -0.04 0.95 0.94 2j08A1 TYR 136 H -0.15 0.20 0.13 -0.55 8.29 7.93 2j08A1 TYR 136 HA -1.53 0.12 0.25 -0.75 4.56 2.66 2j08A1 TYR 136 HB2 -1.92 0.04 0.04 -0.04 3.06 1.18 2j08A1 TYR 136 HB3 -0.64 0.01 0.10 -0.04 2.98 2.41 2j08A1 TYR 136 HD2 -1.21 -0.01 -0.14 -0.04 7.15 5.75 2j08A1 TYR 136 HE2 -0.42 -0.01 -0.20 -0.04 6.85 6.18 2j08A1 THR 137 H -0.09 0.06 -0.17 -0.55 8.28 7.53 2j08A1 THR 137 HA -0.21 0.08 0.15 -0.75 4.39 3.65 2j08A1 THR 137 HB -0.02 -0.01 0.11 -0.04 4.32 4.36 2j08A1 THR 137 HG23 -0.04 0.02 -0.11 -0.04 1.22 1.05 2j08A1 PRO 138 HA -0.16 0.07 0.22 -0.51 4.44 4.06 2j08A1 PRO 138 HB2 -0.01 0.03 -0.04 -0.04 2.28 2.22 2j08A1 PRO 138 HB3 0.08 0.06 0.01 -0.04 2.02 2.13 2j08A1 PRO 138 HG2 0.09 0.01 0.02 -0.04 2.03 2.10 2j08A1 PRO 138 HG3 0.03 0.07 0.02 -0.04 2.03 2.10 2j08A1 PRO 138 HD2 -0.07 -0.01 -0.23 -0.04 3.68 3.33 2j08A1 PRO 138 HD3 -0.03 0.09 0.07 -0.04 3.65 3.73 2j08A1 PHE 139 H -0.43 0.23 -0.35 -0.55 8.34 7.23 2j08A1 PHE 139 HA -1.14 0.05 0.58 -0.75 4.62 3.35 2j08A1 PHE 139 HB2 -0.59 -0.04 0.05 -0.04 3.15 2.53 2j08A1 PHE 139 HB3 -0.75 0.08 0.10 -0.04 3.06 2.45 2j08A1 PHE 139 HD2 -0.77 0.02 -0.03 -0.04 7.28 6.45 2j08A1 PHE 139 HE2 -0.16 0.08 -0.08 -0.04 7.38 7.18 2j08A1 PHE 139 HZ -0.05 -0.03 -0.27 -0.04 7.32 6.93 2j08A1 SER 140 H -0.73 0.71 0.04 -0.55 8.46 7.93 2j08A1 SER 140 HA -0.84 -0.02 0.27 -0.75 4.49 3.15 2j08A1 SER 140 HB2 -0.53 -0.07 0.06 -0.04 3.95 3.37 2j08A1 SER 140 HB3 -1.54 -0.01 0.07 -0.04 3.93 2.40 2j08A1 ARG 141 H -0.38 0.36 -0.44 -0.55 8.46 7.45 2j08A1 ARG 141 HA -0.15 0.08 0.63 -0.75 4.34 4.14 2j08A1 ARG 141 HB2 -0.17 0.13 -0.01 -0.04 1.90 1.81 2j08A1 ARG 141 HB3 -0.11 -0.04 0.03 -0.04 1.80 1.64 2j08A1 ARG 141 HG2 -0.10 -0.04 -0.01 -0.04 1.67 1.49 2j08A1 ARG 141 HG3 -0.18 0.12 -0.05 -0.04 1.67 1.53 2j08A1 ARG 141 HD2 -0.10 -0.01 -0.09 -0.04 3.22 2.97 2j08A1 ARG 141 HD3 -0.07 -0.01 -0.04 -0.04 3.22 3.07 2j08A1 LEU 142 H -0.36 0.44 -0.28 -0.55 8.37 7.63 2j08A1 LEU 142 HA -0.12 0.02 0.50 -0.75 4.35 3.99 2j08A1 LEU 142 HB2 -0.36 0.14 0.02 -0.04 1.64 1.40 2j08A1 LEU 142 HB3 -0.14 -0.07 0.05 -0.04 1.64 1.45 2j08A1 LEU 142 HG -0.25 0.10 0.08 -0.04 1.64 1.53 2j08A1 LEU 142 HD13 -0.00 -0.02 0.02 -0.04 0.93 0.89 2j08A1 LEU 142 HD23 -0.00 -0.02 0.01 -0.04 0.89 0.84 2j08A1 TYR 143 H -0.12 0.33 -0.52 -0.55 8.29 7.43 2j08A1 TYR 143 HA -0.15 0.11 0.75 -0.75 4.56 4.52 2j08A1 TYR 143 HB2 -0.28 -0.04 -0.01 -0.04 3.06 2.68 2j08A1 TYR 143 HB3 -0.22 0.22 0.13 -0.04 2.98 3.08 2j08A1 TYR 143 HD2 -0.09 0.16 -0.14 -0.04 7.15 7.04 2j08A1 TYR 143 HE2 0.00 0.04 -0.09 -0.04 6.85 6.77 2j08A1 ARG 144 H -0.58 0.19 0.07 -0.55 8.46 7.59 2j08A1 ARG 144 HA -0.21 0.20 0.57 -0.75 4.34 4.14 2j08A1 ARG 144 HB2 -0.20 0.06 -0.03 -0.04 1.90 1.69 2j08A1 ARG 144 HB3 -0.14 -0.04 0.12 -0.04 1.80 1.70 2j08A1 ARG 144 HG2 -0.12 0.15 -0.19 -0.04 1.67 1.46 2j08A1 ARG 144 HG3 -0.09 -0.04 -0.04 -0.04 1.67 1.45 2j08A1 ARG 144 HD2 -0.10 0.04 -0.18 -0.04 3.22 2.93 2j08A1 ARG 144 HD3 -0.08 0.09 -0.24 -0.04 3.22 2.95 2j08A1 GLY 145 H -1.93 0.03 -0.15 -0.55 8.43 5.84 2j08A1 GLY 145 HA2 -0.28 -0.06 0.32 -0.51 4.01 3.49 2j08A1 GLY 145 HA3 -0.21 0.21 0.64 -0.51 4.01 4.14 2j08A1 ALA 146 H 0.13 0.08 0.06 -0.55 8.40 8.12 2j08A1 ALA 146 HA 0.23 -0.01 0.19 -0.75 4.34 4.00 2j08A1 ALA 146 HB3 0.39 0.01 -0.02 -0.04 1.41 1.76 2j08A1 ALA 147 H 0.12 0.06 0.16 -0.55 8.40 8.19 2j08A1 ALA 147 HA 0.12 0.13 0.69 -0.75 4.34 4.53 2j08A1 ALA 147 HB3 0.01 -0.00 0.08 -0.04 1.41 1.46 2j08A1 PRO 148 HA -1.67 0.08 0.33 -0.51 4.44 2.67 2j08A1 PRO 148 HB2 -0.43 0.03 0.04 -0.04 2.28 1.88 2j08A1 PRO 148 HB3 -1.02 0.03 0.10 -0.04 2.02 1.08 2j08A1 PRO 148 HG2 -0.18 0.01 0.07 -0.04 2.03 1.88 2j08A1 PRO 148 HG3 -0.34 0.04 0.06 -0.04 2.03 1.75 2j08A1 PRO 148 HD2 -0.10 0.06 0.17 -0.04 3.68 3.77 2j08A1 PRO 148 HD3 0.04 0.14 0.20 -0.04 3.65 3.99 2j08A1 PRO 149 HA -0.12 0.08 0.74 -0.51 4.44 4.62 2j08A1 PRO 149 HB2 -0.04 0.07 -0.11 -0.04 2.28 2.15 2j08A1 PRO 149 HB3 -0.03 -0.10 -0.01 -0.04 2.02 1.84 2j08A1 PRO 149 HG2 -0.30 0.05 -0.05 -0.04 2.03 1.69 2j08A1 PRO 149 HG3 -0.13 -0.00 0.00 -0.04 2.03 1.86 2j08A1 PRO 149 HD2 -1.77 0.06 0.18 -0.04 3.68 2.11 2j08A1 PRO 149 HD3 -0.52 0.15 0.07 -0.04 3.65 3.30 2j08A1 LEU 150 H -0.05 0.01 0.15 -0.55 8.37 7.93 2j08A1 LEU 150 HA -0.08 0.17 0.37 -0.75 4.35 4.06 2j08A1 LEU 150 HB2 -0.02 -0.21 0.08 -0.04 1.64 1.45 2j08A1 LEU 150 HB3 -0.03 0.14 -0.03 -0.04 1.64 1.68 2j08A1 LEU 150 HG -0.06 0.00 -0.05 -0.04 1.64 1.49 2j08A1 LEU 150 HD13 -0.02 -0.01 -0.11 -0.04 0.93 0.74 2j08A1 LEU 150 HD23 -0.05 0.02 -0.07 -0.04 0.89 0.75 2j08A1 PRO 151 HA -0.01 0.04 0.23 -0.51 4.44 4.19 2j08A1 PRO 151 HB2 -0.02 0.28 0.00 -0.04 2.28 2.51 2j08A1 PRO 151 HB3 -0.02 -0.03 0.09 -0.04 2.02 2.02 2j08A1 PRO 151 HG2 -0.03 0.05 -0.01 -0.04 2.03 1.99 2j08A1 PRO 151 HG3 -0.03 0.01 0.05 -0.04 2.03 2.02 2j08A1 PRO 151 HD2 -0.04 0.05 0.10 -0.04 3.68 3.75 2j08A1 PRO 151 HD3 -0.06 0.15 0.19 -0.04 3.65 3.89 2j08A1 PRO 152 HA 0.02 0.31 0.74 -0.51 4.44 5.00 2j08A1 PRO 152 HB2 0.00 0.23 -0.07 -0.04 2.28 2.40 2j08A1 PRO 152 HB3 0.07 -0.18 -0.17 -0.04 2.02 1.70 2j08A1 PRO 152 HG2 0.01 0.12 -0.02 -0.04 2.03 2.09 2j08A1 PRO 152 HG3 0.03 -0.06 0.01 -0.04 2.03 1.97 2j08A1 PRO 152 HD2 0.01 0.06 0.18 -0.04 3.68 3.89 2j08A1 PRO 152 HD3 0.04 0.04 0.10 -0.04 3.65 3.79 2j08A1 PRO 153 HA -0.04 0.05 0.40 -0.51 4.44 4.34 2j08A1 PRO 153 HB2 -0.08 0.06 -0.09 -0.04 2.28 2.13 2j08A1 PRO 153 HB3 -0.07 0.04 0.06 -0.04 2.02 2.00 2j08A1 PRO 153 HG2 -0.11 0.02 -0.12 -0.04 2.03 1.77 2j08A1 PRO 153 HG3 -0.15 0.04 -0.02 -0.04 2.03 1.86 2j08A1 PRO 153 HD2 -0.05 -0.01 0.13 -0.04 3.68 3.72 2j08A1 PRO 153 HD3 -0.05 0.16 0.14 -0.04 3.65 3.86 2j08A1 GLU 154 H -0.03 0.10 0.16 -0.55 8.60 8.27 2j08A1 GLU 154 HA -0.02 0.19 0.98 -0.75 4.29 4.68 2j08A1 GLU 154 HB2 -0.02 -0.00 -0.02 -0.04 2.09 2.00 2j08A1 GLU 154 HB3 -0.02 -0.03 -0.03 -0.04 1.99 1.88 2j08A1 GLU 154 HG2 -0.02 0.09 -0.07 -0.04 2.34 2.29 2j08A1 GLU 154 HG3 -0.02 -0.01 0.05 -0.04 2.34 2.31 2j08A1 ALA 155 H -0.04 0.27 0.15 -0.55 8.40 8.24 2j08A1 ALA 155 HA -0.03 0.14 0.41 -0.75 4.34 4.10 2j08A1 ALA 155 HB3 -0.02 0.02 0.08 -0.04 1.41 1.45 2j08A1 LEU 156 H -0.03 0.71 0.15 -0.55 8.37 8.66 2j08A1 LEU 156 HA -0.05 0.13 0.85 -0.75 4.35 4.53 2j08A1 LEU 156 HB2 -0.05 -0.04 -0.13 -0.04 1.64 1.37 2j08A1 LEU 156 HB3 -0.03 0.08 -0.04 -0.04 1.64 1.60 2j08A1 LEU 156 HG -0.15 -0.08 -0.39 -0.04 1.64 0.98 2j08A1 LEU 156 HD13 -0.52 -0.01 -0.10 -0.04 0.93 0.25 2j08A1 LEU 156 HD23 -0.15 0.02 -0.02 -0.04 0.89 0.71 2j08A1 PRO 157 HA 0.01 0.06 0.58 -0.51 4.44 4.58 2j08A1 PRO 157 HB2 0.01 0.16 0.09 -0.04 2.28 2.50 2j08A1 PRO 157 HB3 0.00 -0.02 0.14 -0.04 2.02 2.10 2j08A1 PRO 157 HG2 0.02 0.03 0.23 -0.04 2.03 2.26 2j08A1 PRO 157 HG3 -0.00 0.05 0.19 -0.04 2.03 2.23 2j08A1 PRO 157 HD2 -0.00 0.05 0.23 -0.04 3.68 3.92 2j08A1 PRO 157 HD3 -0.02 0.14 0.24 -0.04 3.65 3.97 2j08A1 LYS 158 H 0.02 -0.02 0.20 -0.55 8.42 8.07 2j08A1 LYS 158 HA 0.05 0.26 0.54 -0.75 4.32 4.41 2j08A1 LYS 158 HB2 0.03 0.03 0.19 -0.04 1.87 2.07 2j08A1 LYS 158 HB3 0.02 -0.08 0.21 -0.04 1.79 1.90 2j08A1 GLY 159 H 0.08 0.28 0.25 -0.55 8.43 8.49 2j08A1 GLY 159 HA2 0.06 0.06 0.19 -0.51 4.01 3.81 2j08A1 GLY 159 HA3 0.08 0.12 0.52 -0.51 4.01 4.21 2j08A1 PRO 160 HA 0.11 0.08 0.72 -0.51 4.44 4.84 2j08A1 PRO 160 HB2 0.22 0.01 -0.07 -0.04 2.28 2.40 2j08A1 PRO 160 HB3 0.12 -0.00 0.08 -0.04 2.02 2.17 2j08A1 PRO 160 HG2 0.32 0.04 -0.02 -0.04 2.03 2.33 2j08A1 PRO 160 HG3 0.14 0.05 0.03 -0.04 2.03 2.21 2j08A1 PRO 160 HD2 0.14 0.12 0.19 -0.04 3.68 4.09 2j08A1 PRO 160 HD3 0.08 0.16 0.17 -0.04 3.65 4.02 2j08A1 GLU 161 H 0.04 0.19 0.12 -0.55 8.60 8.41 2j08A1 GLU 161 HA 0.17 0.16 0.71 -0.75 4.29 4.57 2j08A1 GLU 161 HB2 0.05 0.05 -0.17 -0.04 2.09 1.98 2j08A1 GLU 161 HB3 -0.03 -0.05 0.08 -0.04 1.99 1.95 2j08A1 GLU 161 HG2 -0.14 0.03 -0.25 -0.04 2.34 1.93 2j08A1 GLU 161 HG3 -0.01 0.06 -0.05 -0.04 2.34 2.29 2j08A1 GLU 162 H -1.25 0.22 0.15 -0.55 8.60 7.17 2j08A1 GLU 162 HA -0.49 0.14 0.77 -0.75 4.29 3.96 2j08A1 GLU 162 HB2 -1.26 0.04 -0.09 -0.04 2.09 0.74 2j08A1 GLU 162 HB3 -2.42 -0.00 0.02 -0.04 1.99 -0.45 2j08A1 GLU 162 HG2 -0.59 0.00 -0.00 -0.04 2.34 1.70 2j08A1 GLU 162 HG3 -0.49 0.01 0.02 -0.04 2.34 1.84 2j08A1 GLY 163 H -0.30 0.05 0.14 -0.55 8.43 7.78 2j08A1 GLY 163 HA2 -0.17 -0.08 0.48 -0.51 4.01 3.72 2j08A1 GLY 163 HA3 -0.18 0.40 0.88 -0.51 4.01 4.60 2j08A1 GLU 164 H -0.08 0.13 0.20 -0.55 8.60 8.30 2j08A1 GLU 164 HA -0.07 0.18 0.78 -0.75 4.29 4.43 2j08A1 GLU 164 HB2 -0.05 -0.04 0.10 -0.04 2.09 2.07 2j08A1 GLU 164 HB3 -0.04 0.01 -0.06 -0.04 1.99 1.86 2j08A1 GLU 164 HG2 -0.06 -0.04 -0.04 -0.04 2.34 2.16 2j08A1 GLU 164 HG3 -0.04 0.00 -0.03 -0.04 2.34 2.23 2j08A1 ILE 165 H -0.04 0.17 0.09 -0.55 8.25 7.91 2j08A1 ILE 165 HA -0.02 0.22 1.01 -0.75 4.18 4.64 2j08A1 ILE 165 HB -0.03 -0.03 0.15 -0.04 1.89 1.93 2j08A1 ILE 165 HG12 -0.04 0.02 -0.14 -0.04 1.49 1.29 2j08A1 ILE 165 HG13 -0.05 -0.07 -0.26 -0.04 1.21 0.79 2j08A1 ILE 165 HG23 -0.03 0.05 -0.05 -0.04 0.93 0.86 2j08A1 ILE 165 HD13 -0.06 0.00 -0.10 -0.04 0.88 0.68 2j08A1 PRO 166 HA -0.00 0.06 -0.06 -0.51 4.44 3.92 2j08A1 PRO 166 HB2 0.01 0.03 0.05 -0.04 2.28 2.33 2j08A1 PRO 166 HB3 -0.00 -0.00 0.03 -0.04 2.02 2.00 2j08A1 PRO 166 HG2 0.02 0.03 -0.04 -0.04 2.03 2.00 2j08A1 PRO 166 HG3 0.01 0.01 0.01 -0.04 2.03 2.02 2j08A1 PRO 166 HD2 0.02 0.07 0.07 -0.04 3.68 3.80 2j08A1 PRO 166 HD3 0.00 0.22 0.08 -0.04 3.65 3.91 2j08A1 ARG 167 H 0.01 0.13 0.16 -0.55 8.46 8.21 2j08A1 ARG 167 HA 0.02 0.22 0.94 -0.75 4.34 4.76 2j08A1 ARG 167 HB2 0.01 -0.07 0.16 -0.04 1.90 1.96 2j08A1 ARG 167 HB3 0.01 0.02 -0.09 -0.04 1.80 1.70 2j08A1 ARG 167 HG2 0.00 0.16 -0.09 -0.04 1.67 1.71 2j08A1 ARG 167 HG3 -0.00 -0.04 -0.02 -0.04 1.67 1.56 2j08A1 ARG 167 HD2 0.00 -0.04 -0.01 -0.04 3.22 3.13 2j08A1 ARG 167 HD3 0.01 0.00 -0.03 -0.04 3.22 3.16 2j08A1 GLU 168 H 0.03 0.23 0.09 -0.55 8.60 8.41 2j08A1 GLU 168 HA 0.03 0.19 0.94 -0.75 4.29 4.69 2j08A1 GLU 168 HB2 0.05 0.01 -0.15 -0.04 2.09 1.95 2j08A1 GLU 168 HB3 0.04 0.02 -0.08 -0.04 1.99 1.93 2j08A1 GLU 168 HG2 0.02 0.07 -0.75 -0.04 2.34 1.64 2j08A1 GLU 168 HG3 0.04 0.03 -0.35 -0.04 2.34 2.02 2j08A1 ASP 169 H 0.03 0.13 0.13 -0.55 8.40 8.14 2j08A1 ASP 169 HA 0.03 0.13 0.28 -0.75 4.63 4.32 2j08A1 ASP 169 HB2 0.02 0.01 0.13 -0.04 2.71 2.83 2j08A1 ASP 169 HB3 0.02 0.00 0.21 -0.04 2.70 2.89 2j08A1 PRO 170 HA 0.05 0.09 0.33 -0.51 4.44 4.41 2j08A1 PRO 170 HB2 0.04 0.03 -0.04 -0.04 2.28 2.27 2j08A1 PRO 170 HB3 0.08 0.01 0.10 -0.04 2.02 2.17 2j08A1 PRO 170 HG2 0.04 0.09 0.12 -0.04 2.03 2.23 2j08A1 PRO 170 HG3 0.06 0.03 0.13 -0.04 2.03 2.21 2j08A1 PRO 170 HD2 0.04 0.00 0.27 -0.04 3.68 3.95 2j08A1 PRO 170 HD3 0.05 0.28 0.30 -0.04 3.65 4.24 2j08A1 GLY 171 H 0.03 0.03 -0.30 -0.55 8.43 7.64 2j08A1 GLY 171 HA2 0.02 -0.06 0.29 -0.51 4.01 3.75 2j08A1 GLY 171 HA3 0.02 0.09 0.32 -0.51 4.01 3.94 2j08A1 LEU 172 H 0.02 0.11 -0.62 -0.55 8.37 7.34 2j08A1 LEU 172 HA 0.02 0.09 0.28 -0.75 4.35 3.99 2j08A1 LEU 172 HB2 0.01 0.15 0.24 -0.04 1.64 2.00 2j08A1 LEU 172 HB3 0.01 0.11 0.18 -0.04 1.64 1.90 2j08A1 LEU 172 HG -0.00 -0.06 -0.21 -0.04 1.64 1.34 2j08A1 LEU 172 HD13 -0.03 -0.02 -0.20 -0.04 0.93 0.64 2j08A1 LEU 172 HD23 -0.03 0.02 -0.27 -0.04 0.89 0.57 2j08A1 PRO 173 HA 0.02 -0.02 0.65 -0.51 4.44 4.58 2j08A1 PRO 173 HB2 0.01 0.04 0.08 -0.04 2.28 2.36 2j08A1 PRO 173 HB3 0.02 -0.02 0.05 -0.04 2.02 2.03 2j08A1 PRO 173 HG2 0.03 0.03 0.10 -0.04 2.03 2.16 2j08A1 PRO 173 HG3 0.02 -0.02 0.05 -0.04 2.03 2.04 2j08A1 PRO 173 HD2 0.02 0.30 0.31 -0.04 3.68 4.27 2j08A1 PRO 173 HD3 0.02 0.10 0.15 -0.04 3.65 3.89 2j08A1 LEU 174 H 0.03 0.06 0.18 -0.55 8.37 8.09 2j08A1 LEU 174 HA -0.12 0.26 0.73 -0.75 4.35 4.47 2j08A1 LEU 174 HB2 0.12 -0.03 0.06 -0.04 1.64 1.75 2j08A1 LEU 174 HB3 0.06 0.05 0.08 -0.04 1.64 1.78 2j08A1 LEU 174 HG 0.05 0.04 -0.08 -0.04 1.64 1.61 2j08A1 LEU 174 HD13 0.20 -0.03 -0.02 -0.04 0.93 1.04 2j08A1 LEU 174 HD23 0.02 0.01 -0.01 -0.04 0.89 0.87 2j08A1 PRO 175 HA -0.00 0.06 0.51 -0.51 4.44 4.50 2j08A1 PRO 175 HB2 -0.11 0.04 -0.14 -0.04 2.28 2.03 2j08A1 PRO 175 HB3 -0.01 -0.01 0.08 -0.04 2.02 2.03 2j08A1 PRO 175 HG2 -0.72 -0.03 0.02 -0.04 2.03 1.26 2j08A1 PRO 175 HG3 -0.29 0.06 0.03 -0.04 2.03 1.78 2j08A1 PRO 175 HD2 -0.98 0.06 0.15 -0.04 3.68 2.87 2j08A1 PRO 175 HD3 -0.39 0.24 0.18 -0.04 3.65 3.64 2j08A1 GLU 176 H 0.16 0.04 0.09 -0.55 8.60 8.34 2j08A1 GLU 176 HA 0.17 0.20 0.67 -0.75 4.29 4.57 2j08A1 GLU 176 HB2 0.10 -0.02 0.14 -0.04 2.09 2.27 2j08A1 GLU 176 HB3 0.14 -0.08 0.15 -0.04 1.99 2.16 2j08A1 GLU 176 HG2 0.10 0.13 0.10 -0.04 2.34 2.63 2j08A1 GLU 176 HG3 0.08 0.01 0.07 -0.04 2.34 2.45 2j08A1 PRO 177 HA 0.15 0.08 0.63 -0.51 4.44 4.78 2j08A1 PRO 177 HB2 -0.08 0.03 -0.19 -0.04 2.28 2.00 2j08A1 PRO 177 HB3 -0.08 0.04 -0.00 -0.04 2.02 1.93 2j08A1 PRO 177 HG2 0.06 -0.03 0.08 -0.04 2.03 2.10 2j08A1 PRO 177 HG3 0.08 0.03 0.05 -0.04 2.03 2.15 2j08A1 PRO 177 HD2 0.14 -0.01 0.28 -0.04 3.68 4.05 2j08A1 PRO 177 HD3 0.28 0.46 0.15 -0.04 3.65 4.51 2j08A1 GLY 178 H -0.03 0.12 0.11 -0.55 8.43 8.08 2j08A1 GLY 178 HA2 -0.02 0.12 0.39 -0.51 4.01 3.99 2j08A1 GLY 178 HA3 0.01 0.16 0.61 -0.51 4.01 4.28 2j08A1 GLU 179 H 0.03 0.24 0.19 -0.55 8.60 8.51 2j08A1 GLU 179 HA -0.00 0.08 0.50 -0.75 4.29 4.12 2j08A1 GLU 179 HB2 0.24 0.04 0.20 -0.04 2.09 2.53 2j08A1 GLU 179 HB3 0.14 0.17 0.24 -0.04 1.99 2.50 2j08A1 GLU 179 HG2 0.07 -0.02 0.13 -0.04 2.34 2.48 2j08A1 GLU 179 HG3 0.09 0.01 -0.16 -0.04 2.34 2.24 2j08A1 GLU 180 H 0.01 0.11 -0.17 -0.55 8.60 8.01 2j08A1 GLU 180 HA -0.03 0.13 0.77 -0.75 4.29 4.41 2j08A1 GLU 180 HB2 -0.00 0.04 0.08 -0.04 2.09 2.17 2j08A1 GLU 180 HB3 0.00 0.04 0.10 -0.04 1.99 2.08 2j08A1 GLU 180 HG2 -0.01 -0.02 -0.06 -0.04 2.34 2.21 2j08A1 GLU 180 HG3 -0.01 0.01 0.06 -0.04 2.34 2.35 2j08A1 ALA 181 H -0.00 0.21 -0.24 -0.55 8.40 7.82 2j08A1 ALA 181 HA -0.03 0.02 0.36 -0.75 4.34 3.94 2j08A1 ALA 181 HB3 0.08 0.06 -0.04 -0.04 1.41 1.47 2j08A1 ALA 182 H -0.26 0.45 -0.15 -0.55 8.40 7.89 2j08A1 ALA 182 HA -0.84 0.02 0.26 -0.75 4.34 3.03 2j08A1 ALA 182 HB3 -0.58 0.00 -0.05 -0.04 1.41 0.74 2j08A1 LEU 183 H -0.14 0.70 -0.13 -0.55 8.37 8.25 2j08A1 LEU 183 HA -0.10 -0.01 0.65 -0.75 4.35 4.13 2j08A1 LEU 183 HB2 -0.09 0.09 0.12 -0.04 1.64 1.71 2j08A1 LEU 183 HB3 -0.09 -0.05 0.05 -0.04 1.64 1.51 2j08A1 LEU 183 HG -0.20 0.05 0.08 -0.04 1.64 1.54 2j08A1 LEU 183 HD13 -0.18 -0.01 -0.02 -0.04 0.93 0.67 2j08A1 LEU 183 HD23 -0.30 -0.02 -0.01 -0.04 0.89 0.51 2j08A1 ALA 184 H -0.07 0.64 -0.05 -0.55 8.40 8.36 2j08A1 ALA 184 HA -0.03 -0.00 0.53 -0.75 4.34 4.08 2j08A1 ALA 184 HB3 -0.02 0.01 0.11 -0.04 1.41 1.47 2j08A1 GLY 185 H -0.10 0.58 -0.22 -0.55 8.43 8.15 2j08A1 GLY 185 HA2 -0.00 -0.01 0.24 -0.51 4.01 3.74 2j08A1 GLY 185 HA3 -0.05 0.10 0.29 -0.51 4.01 3.84 2j08A1 LEU 186 H -0.06 0.61 -0.08 -0.55 8.37 8.29 2j08A1 LEU 186 HA 0.07 -0.05 0.34 -0.75 4.35 3.96 2j08A1 LEU 186 HB2 0.06 -0.06 0.08 -0.04 1.64 1.68 2j08A1 LEU 186 HB3 -0.00 0.14 0.17 -0.04 1.64 1.91 2j08A1 LEU 186 HG 0.06 0.04 -0.29 -0.04 1.64 1.40 2j08A1 LEU 186 HD13 0.24 -0.02 0.01 -0.04 0.93 1.12 2j08A1 LEU 186 HD23 0.12 -0.00 -0.07 -0.04 0.89 0.90 2j08A1 ARG 187 H -0.01 0.48 -0.34 -0.55 8.46 8.04 2j08A1 ARG 187 HA -0.02 0.02 0.31 -0.75 4.34 3.89 2j08A1 ARG 187 HB2 -0.01 -0.01 0.05 -0.04 1.90 1.89 2j08A1 ARG 187 HB3 -0.02 0.10 0.16 -0.04 1.80 2.00 2j08A1 ARG 187 HG2 -0.03 -0.03 -0.10 -0.04 1.67 1.48 2j08A1 ARG 187 HG3 -0.02 -0.01 0.01 -0.04 1.67 1.61 2j08A1 ARG 187 HD2 -0.01 -0.00 -0.02 -0.04 3.22 3.14 2j08A1 ARG 187 HD3 -0.02 0.02 -0.01 -0.04 3.22 3.17 2j08A1 ALA 188 H -0.00 0.61 -0.06 -0.55 8.40 8.40 2j08A1 ALA 188 HA -0.03 -0.00 0.33 -0.75 4.34 3.88 2j08A1 ALA 188 HB3 0.01 0.02 0.09 -0.04 1.41 1.49 2j08A1 PHE 189 H 0.11 0.77 -0.06 -0.55 8.34 8.60 2j08A1 PHE 189 HA -0.10 -0.04 0.40 -0.75 4.62 4.12 2j08A1 PHE 189 HB2 -0.09 0.08 0.08 -0.04 3.15 3.18 2j08A1 PHE 189 HB3 -0.17 0.15 0.15 -0.04 3.06 3.15 2j08A1 PHE 189 HD2 -0.39 0.14 -0.18 -0.04 7.28 6.81 2j08A1 PHE 189 HE2 -1.40 0.08 -0.19 -0.04 7.38 5.84 2j08A1 PHE 189 HZ -0.95 -0.02 -0.08 -0.04 7.32 6.23 2j08A1 LEU 190 H -0.11 0.67 -0.16 -0.55 8.37 8.23 2j08A1 LEU 190 HA -0.66 -0.11 0.11 -0.75 4.35 2.94 2j08A1 LEU 190 HB2 -0.12 0.12 0.11 -0.04 1.64 1.71 2j08A1 LEU 190 HB3 -0.18 -0.02 0.06 -0.04 1.64 1.46 2j08A1 LEU 190 HG -0.07 0.13 0.06 -0.04 1.64 1.72 2j08A1 LEU 190 HD13 0.01 0.01 -0.15 -0.04 0.93 0.76 2j08A1 LEU 190 HD23 -0.32 -0.03 -0.03 -0.04 0.89 0.47 2j08A1 GLU 191 H -0.18 0.23 -0.77 -0.55 8.60 7.34 2j08A1 GLU 191 HA -0.13 0.08 0.48 -0.75 4.29 3.97 2j08A1 GLU 191 HB2 -0.08 0.18 0.10 -0.04 2.09 2.26 2j08A1 GLU 191 HB3 -0.07 -0.03 0.16 -0.04 1.99 2.00 2j08A1 GLU 191 HG2 -0.07 -0.00 0.07 -0.04 2.34 2.29 2j08A1 GLU 191 HG3 -0.05 -0.05 0.01 -0.04 2.34 2.21 2j08A1 ALA 192 H -0.16 0.92 0.23 -0.55 8.40 8.85 2j08A1 ALA 192 HA -0.09 0.13 0.42 -0.75 4.34 4.05 2j08A1 ALA 192 HB3 -0.05 -0.03 0.02 -0.04 1.41 1.31 2j08A1 LYS 193 H -0.32 0.33 0.18 -0.55 8.42 8.05 2j08A1 LYS 193 HA -0.11 0.32 1.41 -0.75 4.32 5.19 2j08A1 LYS 193 HB2 -0.00 0.01 -0.09 -0.04 1.87 1.75 2j08A1 LYS 193 HB3 0.06 -0.04 0.07 -0.04 1.79 1.83 2j08A1 LYS 193 HG2 0.02 0.02 -0.15 -0.04 1.46 1.30 2j08A1 LYS 193 HG3 -0.03 -0.10 -0.15 -0.04 1.46 1.14 2j08A1 LYS 193 HD2 0.15 -0.03 -0.09 -0.04 1.69 1.68 2j08A1 LYS 193 HD3 0.24 0.03 -0.17 -0.04 1.68 1.74 2j08A1 LYS 193 HE2 0.09 0.01 0.08 -0.04 2.99 3.13 2j08A1 LYS 193 HE3 0.05 -0.09 -0.05 -0.04 2.99 2.86 2j08A1 LEU 194 H -0.60 0.46 -0.12 -0.55 8.37 7.57 2j08A1 LEU 194 HA -0.45 -0.05 0.29 -0.75 4.35 3.39 2j08A1 LEU 194 HB2 -0.78 0.00 0.05 -0.04 1.64 0.87 2j08A1 LEU 194 HB3 -0.33 0.29 0.10 -0.04 1.64 1.65 2j08A1 LEU 194 HG -0.13 -0.18 -0.25 -0.04 1.64 1.04 2j08A1 LEU 194 HD13 -0.31 -0.02 -0.13 -0.04 0.93 0.43 2j08A1 LEU 194 HD23 -0.14 0.02 -0.02 -0.04 0.89 0.71 2j08A1 PRO 195 HA -0.04 -0.11 0.41 -0.51 4.44 4.19 2j08A1 PRO 195 HB2 -0.04 0.06 -0.06 -0.04 2.28 2.19 2j08A1 PRO 195 HB3 -0.04 -0.03 0.10 -0.04 2.02 2.01 2j08A1 PRO 195 HG2 -0.08 0.12 0.02 -0.04 2.03 2.06 2j08A1 PRO 195 HG3 -0.08 0.04 0.06 -0.04 2.03 2.02 2j08A1 PRO 195 HD2 -0.16 0.13 -0.44 -0.04 3.68 3.17 2j08A1 PRO 195 HD3 -0.18 0.27 0.01 -0.04 3.65 3.70 2j08A1 ARG 196 H -0.02 0.59 -0.55 -0.55 8.46 7.93 2j08A1 ARG 196 HA 0.02 0.11 0.88 -0.75 4.34 4.59 2j08A1 ARG 196 HB2 0.01 0.16 0.04 -0.04 1.90 2.06 2j08A1 ARG 196 HB3 0.01 -0.08 0.10 -0.04 1.80 1.78 2j08A1 ARG 196 HG2 -0.01 -0.05 -0.31 -0.04 1.67 1.26 2j08A1 ARG 196 HG3 -0.01 0.05 -0.04 -0.04 1.67 1.63 2j08A1 ARG 196 HD2 0.00 -0.02 0.01 -0.04 3.22 3.18 2j08A1 ARG 196 HD3 -0.00 0.01 -0.04 -0.04 3.22 3.15 2j08A1 TYR 197 H 0.14 0.62 -0.01 -0.55 8.29 8.50 2j08A1 TYR 197 HA 0.10 0.17 0.28 -0.75 4.56 4.35 2j08A1 TYR 197 HB2 0.09 0.10 0.15 -0.04 3.06 3.35 2j08A1 TYR 197 HB3 0.11 -0.02 0.22 -0.04 2.98 3.26 2j08A1 TYR 197 HD2 0.28 0.15 -0.02 -0.04 7.15 7.52 2j08A1 TYR 197 HE2 0.23 -0.02 -0.11 -0.04 6.85 6.91 2j08A1 ALA 198 H 0.07 0.10 -0.43 -0.55 8.40 7.60 2j08A1 ALA 198 HA -0.09 0.07 -0.05 -0.75 4.34 3.51 2j08A1 ALA 198 HB3 0.07 0.02 0.02 -0.04 1.41 1.49 2j08A1 GLU 199 H -0.01 0.03 -0.12 -0.55 8.60 7.96 2j08A1 GLU 199 HA -0.02 0.07 0.50 -0.75 4.29 4.08 2j08A1 GLU 199 HB2 -0.01 0.12 0.12 -0.04 2.09 2.28 2j08A1 GLU 199 HB3 -0.01 -0.01 0.06 -0.04 1.99 1.99 2j08A1 GLU 199 HG2 0.00 0.02 0.05 -0.04 2.34 2.36 2j08A1 GLU 199 HG3 -0.00 0.01 0.04 -0.04 2.34 2.34 2j08A1 GLU 200 H -0.11 0.35 -0.44 -0.55 8.60 7.85 2j08A1 GLU 200 HA -0.04 0.16 0.78 -0.75 4.29 4.43 2j08A1 GLU 200 HB2 0.00 0.16 -0.06 -0.04 2.09 2.15 2j08A1 GLU 200 HB3 0.01 -0.18 0.05 -0.04 1.99 1.83 2j08A1 GLU 200 HG2 -0.00 0.05 -0.14 -0.04 2.34 2.20 2j08A1 GLU 200 HG3 0.02 0.00 -0.06 -0.04 2.34 2.26 2j08A1 ARG 201 H -0.31 0.45 0.03 -0.55 8.46 8.07 2j08A1 ARG 201 HA -0.23 -0.03 0.05 -0.75 4.34 3.37 2j08A1 ARG 201 HB2 -0.36 -0.10 0.07 -0.04 1.90 1.47 2j08A1 ARG 201 HB3 -1.36 0.11 0.11 -0.04 1.80 0.62 2j08A1 ARG 201 HG2 -0.31 0.19 0.09 -0.04 1.67 1.60 2j08A1 ARG 201 HG3 -0.24 -0.04 -0.05 -0.04 1.67 1.30 2j08A1 ARG 201 HD2 -0.26 -0.05 -0.04 -0.04 3.22 2.83 2j08A1 ARG 201 HD3 -0.19 -0.00 -0.03 -0.04 3.22 2.96 2j08A1 ASP 202 H -0.16 0.17 -0.35 -0.55 8.40 7.50 2j08A1 ASP 202 HA -0.27 0.03 0.34 -0.75 4.63 3.98 2j08A1 ASP 202 HB2 -0.15 0.08 -0.01 -0.04 2.71 2.59 2j08A1 ASP 202 HB3 -0.60 0.00 0.11 -0.04 2.70 2.17 2j08A1 ARG 203 H -0.11 0.36 -0.14 -0.55 8.46 8.01 2j08A1 ARG 203 HA -0.07 0.24 0.59 -0.75 4.34 4.34 2j08A1 ARG 203 HB2 -0.08 -0.37 0.06 -0.04 1.90 1.47 2j08A1 ARG 203 HB3 -0.06 0.02 0.22 -0.04 1.80 1.94 2j08A1 ARG 203 HG2 -0.01 0.06 0.07 -0.04 1.67 1.75 2j08A1 ARG 203 HG3 -0.05 0.35 0.16 -0.04 1.67 2.09 2j08A1 ARG 203 HD2 0.01 0.10 0.02 -0.04 3.22 3.32 2j08A1 ARG 203 HD3 0.01 -0.27 0.03 -0.04 3.22 2.94 2j08A1 LEU 204 H -0.28 0.48 0.35 -0.55 8.37 8.38 2j08A1 LEU 204 HA -0.57 0.06 0.54 -0.75 4.35 3.62 2j08A1 LEU 204 HB2 -0.63 0.03 0.07 -0.04 1.64 1.06 2j08A1 LEU 204 HB3 -2.13 -0.01 -0.08 -0.04 1.64 -0.63 2j08A1 LEU 204 HG -0.35 0.09 -0.10 -0.04 1.64 1.23 2j08A1 LEU 204 HD13 -0.17 0.00 -0.15 -0.04 0.93 0.57 2j08A1 LEU 204 HD23 -0.55 -0.02 -0.17 -0.04 0.89 0.11 2j08A1 ASP 205 H -0.31 0.05 0.04 -0.55 8.40 7.62 2j08A1 ASP 205 HA -0.12 0.23 0.64 -0.75 4.63 4.62 2j08A1 ASP 205 HB2 0.31 0.13 0.09 -0.04 2.71 3.20 2j08A1 ASP 205 HB3 0.19 -0.03 0.08 -0.04 2.70 2.89 2j08A1 GLY 206 H -0.10 0.09 -0.39 -0.55 8.43 7.48 2j08A1 GLY 206 HA2 0.01 0.09 0.23 -0.51 4.01 3.83 2j08A1 GLY 206 HA3 0.15 0.08 0.28 -0.51 4.01 4.01 2j08A1 GLU 207 H 0.05 -0.07 -0.32 -0.55 8.60 7.72 2j08A1 GLU 207 HA 0.11 0.23 0.22 -0.75 4.29 4.09 2j08A1 GLU 207 HB2 0.08 -0.11 -0.07 -0.04 2.09 1.95 2j08A1 GLU 207 HB3 0.08 0.07 -0.02 -0.04 1.99 2.09 2j08A1 GLU 207 HG2 0.16 -0.04 -0.16 -0.04 2.34 2.26 2j08A1 GLU 207 HG3 0.12 -0.00 -0.06 -0.04 2.34 2.36 2j08A1 GLY 208 H 0.06 -0.03 -0.21 -0.55 8.43 7.70 2j08A1 GLY 208 HA2 0.12 0.21 0.70 -0.51 4.01 4.53 2j08A1 GLY 208 HA3 0.07 0.01 0.15 -0.51 4.01 3.73 2j08A1 GLY 209 H 0.18 0.23 -0.37 -0.55 8.43 7.93 2j08A1 GLY 209 HA2 0.50 0.18 0.72 -0.51 4.01 4.90 2j08A1 GLY 209 HA3 0.30 -0.08 0.32 -0.51 4.01 4.04 2j08A1 SER 210 H 0.01 0.05 0.14 -0.55 8.46 8.11 2j08A1 SER 210 HA -0.42 0.20 0.08 -0.75 4.49 3.59 2j08A1 SER 210 HB2 -0.56 0.09 -0.02 -0.04 3.95 3.43 2j08A1 SER 210 HB3 -1.60 0.03 0.01 -0.04 3.93 2.33 2j08A1 ARG 211 H 0.06 -0.06 -0.15 -0.55 8.46 7.76 2j08A1 ARG 211 HA -0.07 -0.05 0.24 -0.75 4.34 3.71 2j08A1 ARG 211 HB2 -0.08 0.25 -0.11 -0.04 1.90 1.92 2j08A1 ARG 211 HB3 -0.26 0.01 0.24 -0.04 1.80 1.75 2j08A1 ARG 211 HG2 -0.91 -0.03 -0.03 -0.04 1.67 0.66 2j08A1 ARG 211 HG3 -0.10 -0.04 -0.13 -0.04 1.67 1.36 2j08A1 ARG 211 HD2 -0.03 0.07 -0.14 -0.04 3.22 3.08 2j08A1 ARG 211 HD3 -0.15 0.01 -0.06 -0.04 3.22 2.98 2j08A1 LEU 212 H 0.18 -0.05 -0.08 -0.55 8.37 7.87 2j08A1 LEU 212 HA 0.25 0.33 0.70 -0.75 4.35 4.88 2j08A1 LEU 212 HB2 0.21 -0.04 -0.04 -0.04 1.64 1.73 2j08A1 LEU 212 HB3 -0.20 -0.01 0.02 -0.04 1.64 1.41 2j08A1 LEU 212 HG 0.03 -0.06 -0.36 -0.04 1.64 1.21 2j08A1 LEU 212 HD13 0.17 0.00 -0.09 -0.04 0.93 0.97 2j08A1 LEU 212 HD23 -0.03 0.05 -0.19 -0.04 0.89 0.67 2j08A1 SER 213 H 0.27 -0.00 -0.03 -0.55 8.46 8.16 2j08A1 SER 213 HA 0.47 -0.01 0.29 -0.75 4.49 4.48 2j08A1 SER 213 HB2 0.22 0.09 0.03 -0.04 3.95 4.26 2j08A1 SER 213 HB3 0.25 -0.03 0.10 -0.04 3.93 4.21 2j08A1 PRO 214 HA 0.14 0.10 0.15 -0.51 4.44 4.31 2j08A1 PRO 214 HB2 -0.41 0.05 -0.07 -0.04 2.28 1.81 2j08A1 PRO 214 HB3 -0.70 0.09 -0.02 -0.04 2.02 1.35 2j08A1 PRO 214 HG2 -0.31 0.14 -0.04 -0.04 2.03 1.77 2j08A1 PRO 214 HG3 -0.14 0.02 -0.05 -0.04 2.03 1.82 2j08A1 PRO 214 HD2 0.04 0.18 -0.39 -0.04 3.68 3.47 2j08A1 PRO 214 HD3 0.08 -0.08 -0.24 -0.04 3.65 3.38 2j08A1 TYR 215 H 0.12 0.40 -0.25 -0.55 8.29 8.01 2j08A1 TYR 215 HA 0.24 0.09 0.56 -0.75 4.56 4.70 2j08A1 TYR 215 HB2 -0.19 0.12 0.01 -0.04 3.06 2.96 2j08A1 TYR 215 HB3 -0.05 -0.11 -0.19 -0.04 2.98 2.59 2j08A1 TYR 215 HD2 0.04 -0.04 -0.00 -0.04 7.15 7.11 2j08A1 TYR 215 HE2 0.13 0.07 -0.00 -0.04 6.85 7.00 2j08A1 PHE 216 H 0.23 0.35 -0.09 -0.55 8.34 8.27 2j08A1 PHE 216 HA 0.18 0.14 0.52 -0.75 4.62 4.71 2j08A1 PHE 216 HB2 0.15 0.01 0.09 -0.04 3.15 3.36 2j08A1 PHE 216 HB3 0.14 0.01 0.09 -0.04 3.06 3.26 2j08A1 PHE 216 HD2 0.12 0.06 -0.23 -0.04 7.28 7.19 2j08A1 PHE 216 HE2 0.13 -0.03 -0.23 -0.04 7.38 7.21 2j08A1 PHE 216 HZ 0.24 0.00 -0.10 -0.04 7.32 7.43 2j08A1 ALA 217 H 0.32 0.43 -0.30 -0.55 8.40 8.29 2j08A1 ALA 217 HA 0.26 -0.02 0.07 -0.75 4.34 3.89 2j08A1 ALA 217 HB3 0.27 0.07 0.09 -0.04 1.41 1.80 2j08A1 LEU 218 H 0.22 0.22 -0.17 -0.55 8.37 8.10 2j08A1 LEU 218 HA 0.18 0.15 0.89 -0.75 4.35 4.82 2j08A1 LEU 218 HB2 -0.02 -0.03 0.06 -0.04 1.64 1.62 2j08A1 LEU 218 HB3 0.02 -0.04 0.19 -0.04 1.64 1.77 2j08A1 LEU 218 HG 0.21 0.07 0.04 -0.04 1.64 1.91 2j08A1 LEU 218 HD13 -0.54 -0.01 -0.01 -0.04 0.93 0.33 2j08A1 LEU 218 HD23 0.38 0.03 -0.01 -0.04 0.89 1.24 2j08A1 GLY 219 H 0.19 0.37 -0.50 -0.55 8.43 7.94 2j08A1 GLY 219 HA2 0.14 0.11 0.32 -0.51 4.01 4.07 2j08A1 GLY 219 HA3 0.07 0.18 0.04 -0.51 4.01 3.79 2j08A1 VAL 220 H 0.13 0.33 -0.31 -0.55 8.24 7.84 2j08A1 VAL 220 HA 0.05 0.13 0.25 -0.75 4.13 3.81 2j08A1 VAL 220 HB 0.27 0.02 0.07 -0.04 2.12 2.44 2j08A1 VAL 220 HG13 0.15 -0.02 -0.15 -0.04 0.97 0.91 2j08A1 VAL 220 HG23 -0.08 0.02 0.03 -0.04 0.95 0.88 2j08A1 LEU 221 H 0.14 0.30 -0.32 -0.55 8.37 7.95 2j08A1 LEU 221 HA 0.35 0.16 0.72 -0.75 4.35 4.82 2j08A1 LEU 221 HB2 -0.11 -0.06 -0.31 -0.04 1.64 1.12 2j08A1 LEU 221 HB3 -0.29 -0.04 -0.23 -0.04 1.64 1.04 2j08A1 LEU 221 HG 0.06 -0.01 -0.13 -0.04 1.64 1.51 2j08A1 LEU 221 HD13 -0.05 -0.01 -0.15 -0.04 0.93 0.68 2j08A1 LEU 221 HD23 -0.50 -0.02 -0.13 -0.04 0.89 0.20 2j08A1 SER 222 H 0.43 0.11 0.04 -0.55 8.46 8.50 2j08A1 SER 222 HA 0.16 0.31 0.58 -0.75 4.49 4.78 2j08A1 SER 222 HB2 0.09 0.33 0.05 -0.04 3.95 4.38 2j08A1 SER 222 HB3 0.27 -0.12 0.11 -0.04 3.93 4.16 2j08A1 PRO 223 HA 0.16 0.05 0.46 -0.51 4.44 4.60 2j08A1 PRO 223 HB2 0.01 -0.05 0.03 -0.04 2.28 2.22 2j08A1 PRO 223 HB3 -0.14 0.02 0.11 -0.04 2.02 1.97 2j08A1 PRO 223 HG2 0.02 0.17 0.14 -0.04 2.03 2.31 2j08A1 PRO 223 HG3 0.05 0.05 0.14 -0.04 2.03 2.24 2j08A1 PRO 223 HD2 0.04 0.23 0.30 -0.04 3.68 4.20 2j08A1 PRO 223 HD3 0.19 0.23 0.24 -0.04 3.65 4.27 2j08A1 ARG 224 H 0.11 0.22 -0.30 -0.55 8.46 7.93 2j08A1 ARG 224 HA 0.17 0.05 0.08 -0.75 4.34 3.88 2j08A1 ARG 224 HB2 0.12 0.11 -0.17 -0.04 1.90 1.91 2j08A1 ARG 224 HB3 0.07 -0.01 -0.03 -0.04 1.80 1.79 2j08A1 ARG 224 HG2 0.06 -0.03 -0.30 -0.04 1.67 1.36 2j08A1 ARG 224 HG3 0.14 0.02 -0.04 -0.04 1.67 1.75 2j08A1 ARG 224 HD2 0.00 0.16 -0.23 -0.04 3.22 3.12 2j08A1 ARG 224 HD3 0.06 -0.01 -0.02 -0.04 3.22 3.21 2j08A1 LEU 225 H 0.19 0.06 -0.30 -0.55 8.37 7.77 2j08A1 LEU 225 HA 0.20 0.13 0.40 -0.75 4.35 4.33 2j08A1 LEU 225 HB2 0.19 0.01 0.04 -0.04 1.64 1.84 2j08A1 LEU 225 HB3 0.22 0.01 0.05 -0.04 1.64 1.88 2j08A1 LEU 225 HG 0.13 0.02 -0.01 -0.04 1.64 1.73 2j08A1 LEU 225 HD13 -0.04 0.01 -0.07 -0.04 0.93 0.79 2j08A1 LEU 225 HD23 0.08 -0.00 -0.26 -0.04 0.89 0.67 2j08A1 ALA 226 H 0.32 0.51 -0.13 -0.55 8.40 8.55 2j08A1 ALA 226 HA 0.39 0.04 0.41 -0.75 4.34 4.42 2j08A1 ALA 226 HB3 0.59 0.00 0.01 -0.04 1.41 1.97 2j08A1 ALA 227 H 0.24 0.55 -0.21 -0.55 8.40 8.43 2j08A1 ALA 227 HA 0.27 -0.01 0.33 -0.75 4.34 4.17 2j08A1 ALA 227 HB3 0.18 0.02 0.02 -0.04 1.41 1.59 2j08A1 TRP 228 H 0.40 0.59 -0.11 -0.55 7.97 8.30 2j08A1 TRP 228 HA 0.10 0.01 0.46 -0.75 4.62 4.43 2j08A1 TRP 228 HB2 0.08 0.11 0.03 -0.04 3.23 3.41 2j08A1 TRP 228 HB3 0.09 0.06 0.21 -0.04 3.23 3.56 2j08A1 TRP 228 HD1 0.05 -0.00 -0.12 -0.04 7.22 7.11 2j08A1 TRP 228 HE1 0.03 -0.01 -0.07 -0.04 10.20 10.10 2j08A1 TRP 228 HE3 0.04 0.16 -0.35 -0.04 7.59 7.40 2j08A1 TRP 228 HZ2 0.02 -0.02 -0.03 -0.04 7.44 7.37 2j08A1 TRP 228 HZ3 0.01 0.06 -0.05 -0.04 7.13 7.11 2j08A1 TRP 228 HH2 0.01 -0.02 -0.02 -0.04 7.19 7.12 2j08A1 GLU 229 H 0.35 0.61 -0.21 -0.55 8.60 8.81 2j08A1 GLU 229 HA 0.02 0.03 0.15 -0.75 4.29 3.73 2j08A1 GLU 229 HB2 0.23 0.19 0.11 -0.04 2.09 2.58 2j08A1 GLU 229 HB3 0.12 -0.02 -0.08 -0.04 1.99 1.97 2j08A1 GLU 229 HG2 0.10 -0.01 -0.01 -0.04 2.34 2.37 2j08A1 GLU 229 HG3 0.27 -0.02 -0.04 -0.04 2.34 2.51 2j08A1 ALA 230 H 0.23 0.45 -0.12 -0.55 8.40 8.40 2j08A1 ALA 230 HA 0.03 0.03 0.55 -0.75 4.34 4.19 2j08A1 ALA 230 HB3 0.31 -0.01 0.13 -0.04 1.41 1.81 2j08A1 GLU 231 H 0.02 0.59 -0.26 -0.55 8.60 8.40 2j08A1 GLU 231 HA -0.03 -0.06 0.21 -0.75 4.29 3.65 2j08A1 GLU 231 HB2 -0.09 0.17 0.25 -0.04 2.09 2.38 2j08A1 GLU 231 HB3 -0.16 -0.03 0.08 -0.04 1.99 1.84 2j08A1 GLU 231 HG2 0.03 -0.04 -0.00 -0.04 2.34 2.28 2j08A1 GLU 231 HG3 0.09 -0.06 -0.05 -0.04 2.34 2.28 2j08A1 ARG 232 H -0.28 0.43 -0.12 -0.55 8.46 7.94 2j08A1 ARG 232 HA -0.24 0.03 0.54 -0.75 4.34 3.92 2j08A1 ARG 232 HB2 -0.17 0.12 0.01 -0.04 1.90 1.83 2j08A1 ARG 232 HB3 -0.14 -0.05 -0.09 -0.04 1.80 1.48 2j08A1 ARG 232 HG2 -0.53 -0.03 -0.02 -0.04 1.67 1.04 2j08A1 ARG 232 HG3 -0.89 0.09 -0.08 -0.04 1.67 0.74 2j08A1 ARG 232 HD2 0.13 -0.03 -0.05 -0.04 3.22 3.23 2j08A1 ARG 232 HD3 0.03 -0.01 -0.06 -0.04 3.22 3.13 2j08A1 ARG 233 H -0.08 0.32 -0.21 -0.55 8.46 7.94 2j08A1 ARG 233 HA -0.07 0.03 0.71 -0.75 4.34 4.26 2j08A1 ARG 233 HB2 -0.07 0.02 0.26 -0.04 1.90 2.07 2j08A1 ARG 233 HB3 -0.08 0.01 0.08 -0.04 1.80 1.77 2j08A1 ARG 233 HG2 -0.06 -0.03 0.05 -0.04 1.67 1.58 2j08A1 ARG 233 HG3 -0.09 -0.05 0.03 -0.04 1.67 1.52 2j08A1 ARG 233 HD2 -0.07 -0.04 0.08 -0.04 3.22 3.14 2j08A1 ARG 233 HD3 -0.08 -0.04 -0.01 -0.04 3.22 3.04 2j08A1 GLY 234 H -0.05 0.64 0.03 -0.55 8.43 8.51 2j08A1 GLY 234 HA2 -0.02 0.00 0.29 -0.51 4.01 3.77 2j08A1 GLY 234 HA3 -0.04 0.06 0.41 -0.51 4.01 3.93 2j08A1 GLY 235 H -0.01 0.10 0.16 -0.55 8.43 8.13 2j08A1 GLY 235 HA2 -0.01 0.03 0.39 -0.51 4.01 3.92 2j08A1 GLY 235 HA3 -0.01 0.16 0.67 -0.51 4.01 4.31 2j08A1 GLU 236 H 0.01 0.19 0.19 -0.55 8.60 8.44 2j08A1 GLU 236 HA 0.04 0.12 0.22 -0.75 4.29 3.93 2j08A1 GLU 236 HB2 0.02 0.03 0.13 -0.04 2.09 2.23 2j08A1 GLU 236 HB3 0.03 0.04 0.09 -0.04 1.99 2.11 2j08A1 GLU 236 HG2 0.05 -0.02 0.01 -0.04 2.34 2.34 2j08A1 GLU 236 HG3 0.03 0.04 0.00 -0.04 2.34 2.37 2j08A1 GLY 237 H 0.04 0.21 0.08 -0.55 8.43 8.22 2j08A1 GLY 237 HA2 0.19 -0.09 0.52 -0.51 4.01 4.12 2j08A1 GLY 237 HA3 0.08 0.46 0.31 -0.51 4.01 4.36 2j08A1 ALA 238 H 0.05 0.14 -0.96 -0.55 8.40 7.09 2j08A1 ALA 238 HA 0.11 0.00 -0.12 -0.75 4.34 3.58 2j08A1 ALA 238 HB3 0.04 0.13 -0.13 -0.04 1.41 1.40 2j08A1 ARG 239 H 0.09 0.30 -0.07 -0.55 8.46 8.23 2j08A1 ARG 239 HA 0.11 0.06 0.25 -0.75 4.34 4.01 2j08A1 ARG 239 HB2 0.08 0.05 0.09 -0.04 1.90 2.08 2j08A1 ARG 239 HB3 0.08 -0.00 0.06 -0.04 1.80 1.90 2j08A1 ARG 239 HG2 0.06 -0.02 -0.01 -0.04 1.67 1.67 2j08A1 ARG 239 HG3 0.05 0.04 0.05 -0.04 1.67 1.77 2j08A1 ARG 239 HD2 0.04 -0.01 -0.00 -0.04 3.22 3.21 2j08A1 ARG 239 HD3 0.06 -0.00 0.00 -0.04 3.22 3.24 2j08A1 LYS 240 H 0.20 0.46 -0.34 -0.55 8.42 8.19 2j08A1 LYS 240 HA 0.17 0.07 0.18 -0.75 4.32 3.98 2j08A1 LYS 240 HB2 0.17 0.01 0.03 -0.04 1.87 2.04 2j08A1 LYS 240 HB3 0.35 0.10 0.11 -0.04 1.79 2.31 2j08A1 LYS 240 HG2 0.15 -0.03 -0.03 -0.04 1.46 1.51 2j08A1 LYS 240 HG3 0.37 -0.02 -0.11 -0.04 1.46 1.65 2j08A1 LYS 240 HD2 0.14 -0.04 0.04 -0.04 1.69 1.79 2j08A1 LYS 240 HD3 0.11 0.02 -0.02 -0.04 1.68 1.75 2j08A1 LYS 240 HE2 0.03 0.03 -0.01 -0.04 2.99 2.99 2j08A1 LYS 240 HE3 0.01 -0.02 -0.03 -0.04 2.99 2.92 2j08A1 TRP 241 H 0.33 0.59 -0.00 -0.55 7.97 8.33 2j08A1 TRP 241 HA -0.37 -0.00 0.28 -0.75 4.62 3.78 2j08A1 TRP 241 HB2 -0.23 0.10 0.09 -0.04 3.23 3.14 2j08A1 TRP 241 HB3 -0.05 0.13 0.07 -0.04 3.23 3.34 2j08A1 TRP 241 HD1 -1.91 0.01 0.04 -0.04 7.22 5.32 2j08A1 TRP 241 HE1 -0.46 -0.15 0.03 -0.04 10.20 9.58 2j08A1 TRP 241 HE3 0.07 0.07 -0.10 -0.04 7.59 7.59 2j08A1 TRP 241 HZ2 -0.11 -0.10 -0.04 -0.04 7.44 7.15 2j08A1 TRP 241 HZ3 0.16 0.12 -0.17 -0.04 7.13 7.19 2j08A1 TRP 241 HH2 0.26 0.01 -0.06 -0.04 7.19 7.36 2j08A1 VAL 242 H 0.19 0.42 -0.37 -0.55 8.24 7.93 2j08A1 VAL 242 HA -0.18 -0.02 0.23 -0.75 4.13 3.40 2j08A1 VAL 242 HB 0.11 0.15 0.03 -0.04 2.12 2.37 2j08A1 VAL 242 HG13 -0.03 -0.01 -0.09 -0.04 0.97 0.80 2j08A1 VAL 242 HG23 0.22 0.02 0.01 -0.04 0.95 1.16 2j08A1 ALA 243 H 0.07 0.34 -0.32 -0.55 8.40 7.94 2j08A1 ALA 243 HA 0.06 0.05 0.57 -0.75 4.34 4.26 2j08A1 ALA 243 HB3 0.15 0.06 0.13 -0.04 1.41 1.72 2j08A1 GLU 244 H -0.06 0.44 -0.34 -0.55 8.60 8.09 2j08A1 GLU 244 HA 0.06 0.03 0.46 -0.75 4.29 4.09 2j08A1 GLU 244 HB2 -0.35 0.25 0.24 -0.04 2.09 2.18 2j08A1 GLU 244 HB3 -0.18 -0.10 0.05 -0.04 1.99 1.72 2j08A1 GLU 244 HG2 0.19 0.16 0.04 -0.04 2.34 2.70 2j08A1 GLU 244 HG3 0.13 -0.07 0.03 -0.04 2.34 2.38 2j08A1 LEU 245 H -0.41 0.43 0.03 -0.55 8.37 7.87 2j08A1 LEU 245 HA -0.39 -0.01 0.40 -0.75 4.35 3.60 2j08A1 LEU 245 HB2 -0.29 0.14 0.10 -0.04 1.64 1.55 2j08A1 LEU 245 HB3 -0.34 -0.06 0.07 -0.04 1.64 1.27 2j08A1 LEU 245 HG -0.92 0.13 0.04 -0.04 1.64 0.84 2j08A1 LEU 245 HD13 -0.24 0.02 -0.07 -0.04 0.93 0.60 2j08A1 LEU 245 HD23 -1.05 -0.02 -0.02 -0.04 0.89 -0.24 2j08A1 LEU 246 H -0.11 0.48 -0.47 -0.55 8.37 7.73 2j08A1 LEU 246 HA -0.04 -0.08 0.37 -0.75 4.35 3.84 2j08A1 LEU 246 HB2 -0.06 0.15 0.18 -0.04 1.64 1.87 2j08A1 LEU 246 HB3 -0.09 -0.03 0.00 -0.04 1.64 1.48 2j08A1 LEU 246 HG -0.55 0.05 0.02 -0.04 1.64 1.12 2j08A1 LEU 246 HD13 -0.57 -0.00 0.01 -0.04 0.93 0.32 2j08A1 LEU 246 HD23 -0.40 -0.02 -0.08 -0.04 0.89 0.34 2j08A1 TRP 247 H 0.30 0.39 -0.20 -0.55 7.97 7.92 2j08A1 TRP 247 HA 0.23 0.00 0.44 -0.75 4.62 4.53 2j08A1 TRP 247 HB2 -0.17 0.14 0.18 -0.04 3.23 3.33 2j08A1 TRP 247 HB3 -0.14 -0.06 0.02 -0.04 3.23 3.01 2j08A1 TRP 247 HD1 -0.40 0.25 -0.06 -0.04 7.22 6.97 2j08A1 TRP 247 HE1 -1.12 -0.01 -0.06 -0.04 10.20 8.96 2j08A1 TRP 247 HE3 -0.05 -0.02 0.00 -0.04 7.59 7.47 2j08A1 TRP 247 HZ2 -0.50 0.01 -0.03 -0.04 7.44 6.87 2j08A1 TRP 247 HZ3 -0.01 -0.00 -0.07 -0.04 7.13 7.00 2j08A1 TRP 247 HH2 -0.17 0.02 -0.05 -0.04 7.19 6.95 2j08A1 ARG 248 H 0.06 0.47 -0.30 -0.55 8.46 8.14 2j08A1 ARG 248 HA -0.08 -0.00 0.63 -0.75 4.34 4.13 2j08A1 ARG 248 HB2 -0.06 -0.05 0.13 -0.04 1.90 1.87 2j08A1 ARG 248 HB3 -0.05 0.25 0.26 -0.04 1.80 2.21 2j08A1 ARG 248 HG2 0.22 0.01 -0.10 -0.04 1.67 1.76 2j08A1 ARG 248 HG3 -0.08 -0.08 0.05 -0.04 1.67 1.52 2j08A1 ARG 248 HD2 -0.05 -0.04 0.02 -0.04 3.22 3.10 2j08A1 ARG 248 HD3 0.02 0.02 0.02 -0.04 3.22 3.24 2j08A1 ASP 249 H 0.10 0.34 0.04 -0.55 8.40 8.33 2j08A1 ASP 249 HA 0.37 0.01 0.32 -0.75 4.63 4.58 2j08A1 ASP 249 HB2 0.22 0.08 0.14 -0.04 2.71 3.10 2j08A1 ASP 249 HB3 0.30 0.14 -0.05 -0.04 2.70 3.06 2j08A1 PHE 250 H 0.23 0.56 -0.24 -0.55 8.34 8.34 2j08A1 PHE 250 HA -0.94 0.05 0.48 -0.75 4.62 3.45 2j08A1 PHE 250 HB2 -0.23 0.06 0.04 -0.04 3.15 2.98 2j08A1 PHE 250 HB3 -0.20 0.08 0.11 -0.04 3.06 3.01 2j08A1 PHE 250 HD2 -1.19 0.03 -0.05 -0.04 7.28 6.02 2j08A1 PHE 250 HE2 -0.20 0.01 -0.24 -0.04 7.38 6.91 2j08A1 PHE 250 HZ -0.09 0.04 -0.61 -0.04 7.32 6.62 2j08A1 SER 251 H -0.03 0.51 -0.10 -0.55 8.46 8.29 2j08A1 SER 251 HA -0.27 -0.00 0.55 -0.75 4.49 4.01 2j08A1 SER 251 HB2 -0.45 0.05 0.06 -0.04 3.95 3.57 2j08A1 SER 251 HB3 -0.14 -0.04 -0.12 -0.04 3.93 3.58 2j08A1 TYR 252 H -0.45 0.41 -0.18 -0.55 8.29 7.52 2j08A1 TYR 252 HA 0.02 -0.04 0.60 -0.75 4.56 4.38 2j08A1 TYR 252 HB2 0.00 0.15 0.12 -0.04 3.06 3.30 2j08A1 TYR 252 HB3 0.04 -0.06 0.07 -0.04 2.98 2.99 2j08A1 TYR 252 HD2 0.10 -0.02 0.00 -0.04 7.15 7.19 2j08A1 TYR 252 HE2 0.12 -0.08 -0.05 -0.04 6.85 6.80 2j08A1 HIS 253 H 0.06 0.62 0.02 -0.55 8.41 8.56 2j08A1 HIS 253 HA 0.09 0.15 0.56 -0.75 4.63 4.67 2j08A1 HIS 253 HB2 -0.09 0.02 0.16 -0.04 3.26 3.31 2j08A1 HIS 253 HB3 -0.53 0.09 0.26 -0.04 3.20 2.98 2j08A1 HIS 253 HD2 -0.32 0.05 -0.18 -0.04 6.97 6.47 2j08A1 HIS 253 HE1 -0.12 0.32 0.12 -0.04 7.75 8.03 2j08A1 LEU 254 H -0.24 0.40 -0.35 -0.55 8.37 7.63 2j08A1 LEU 254 HA -0.08 0.10 0.25 -0.75 4.35 3.86 2j08A1 LEU 254 HB2 -0.27 0.04 0.15 -0.04 1.64 1.52 2j08A1 LEU 254 HB3 -0.11 -0.04 0.01 -0.04 1.64 1.46 2j08A1 LEU 254 HG -1.01 0.07 -0.06 -0.04 1.64 0.59 2j08A1 LEU 254 HD13 -0.48 -0.04 -0.05 -0.04 0.93 0.32 2j08A1 LEU 254 HD23 -0.08 0.01 0.04 -0.04 0.89 0.82 2j08A1 LEU 255 H -0.06 0.37 -0.04 -0.55 8.37 8.10 2j08A1 LEU 255 HA -0.09 0.08 0.02 -0.75 4.35 3.60 2j08A1 LEU 255 HB2 0.01 0.00 0.14 -0.04 1.64 1.76 2j08A1 LEU 255 HB3 0.08 0.01 0.15 -0.04 1.64 1.84 2j08A1 LEU 255 HG 0.03 0.02 0.00 -0.04 1.64 1.65 2j08A1 LEU 255 HD13 -0.01 0.01 -0.01 -0.04 0.93 0.88 2j08A1 LEU 255 HD23 0.10 -0.04 -0.01 -0.04 0.89 0.90 2j08A1 TYR 256 H 0.04 0.46 -0.39 -0.55 8.29 7.86 2j08A1 TYR 256 HA -0.13 -0.00 0.41 -0.75 4.56 4.08 2j08A1 TYR 256 HB2 -0.10 -0.12 0.04 -0.04 3.06 2.84 2j08A1 TYR 256 HB3 -0.26 0.23 0.13 -0.04 2.98 3.04 2j08A1 TYR 256 HD2 -0.66 0.09 -0.08 -0.04 7.15 6.45 2j08A1 TYR 256 HE2 -0.24 -0.01 -0.03 -0.04 6.85 6.54 2j08A1 HIS 257 H -0.20 0.46 -0.07 -0.55 8.41 8.05 2j08A1 HIS 257 HA -0.50 0.09 0.71 -0.75 4.63 4.18 2j08A1 HIS 257 HB2 -1.26 0.05 0.03 -0.04 3.26 2.04 2j08A1 HIS 257 HB3 -1.06 -0.11 0.07 -0.04 3.20 2.06 2j08A1 HIS 257 HD2 -0.16 -0.06 -0.07 -0.04 6.97 6.63 2j08A1 HIS 257 HE1 -0.11 -0.09 -0.08 -0.04 7.75 7.42 2j08A1 PHE 258 H -0.38 0.41 -0.33 -0.55 8.34 7.48 2j08A1 PHE 258 HA -0.87 0.14 0.86 -0.75 4.62 3.99 2j08A1 PHE 258 HB2 -0.52 0.07 0.11 -0.04 3.15 2.76 2j08A1 PHE 258 HB3 -1.30 -0.12 0.15 -0.04 3.06 1.75 2j08A1 PHE 258 HD2 -0.18 -0.03 0.05 -0.04 7.28 7.08 2j08A1 PHE 258 HE2 0.03 0.08 -0.13 -0.04 7.38 7.32 2j08A1 PHE 258 HZ 0.00 0.06 -0.22 -0.04 7.32 7.12 2j08A1 PRO 259 HA -0.12 0.21 0.34 -0.51 4.44 4.36 2j08A1 PRO 259 HB2 0.06 -0.04 0.03 -0.04 2.28 2.29 2j08A1 PRO 259 HB3 -0.04 -0.02 0.13 -0.04 2.02 2.05 2j08A1 PRO 259 HG2 -0.07 -0.01 0.04 -0.04 2.03 1.95 2j08A1 PRO 259 HG3 -0.23 0.22 0.07 -0.04 2.03 2.05 2j08A1 PRO 259 HD2 -0.16 0.04 -0.03 -0.04 3.68 3.49 2j08A1 PRO 259 HD3 -0.34 0.19 -0.76 -0.04 3.65 2.70 2j08A1 TRP 260 H -0.67 0.15 -0.49 -0.55 7.97 6.42 2j08A1 TRP 260 HA 0.08 0.04 0.09 -0.75 4.62 4.08 2j08A1 TRP 260 HB2 0.09 0.05 0.02 -0.04 3.23 3.34 2j08A1 TRP 260 HB3 0.06 -0.00 0.03 -0.04 3.23 3.28 2j08A1 TRP 260 HD1 0.05 -0.01 0.00 -0.04 7.22 7.22 2j08A1 TRP 260 HE1 0.15 0.09 0.05 -0.04 10.20 10.44 2j08A1 TRP 260 HE3 0.09 0.04 -0.35 -0.04 7.59 7.32 2j08A1 TRP 260 HZ2 0.21 0.00 0.05 -0.04 7.44 7.66 2j08A1 TRP 260 HZ3 0.01 0.10 0.08 -0.04 7.13 7.27 2j08A1 TRP 260 HH2 -0.08 0.06 0.08 -0.04 7.19 7.21 2j08A1 MET 261 H -0.55 0.35 -0.27 -0.55 8.47 7.46 2j08A1 MET 261 HA 0.13 0.26 0.40 -0.75 4.52 4.56 2j08A1 MET 261 HB2 -0.42 -0.04 0.13 -0.04 2.15 1.77 2j08A1 MET 261 HB3 -0.21 0.29 0.06 -0.04 2.03 2.13 2j08A1 MET 261 HG2 -0.02 -0.05 -0.30 -0.04 2.63 2.22 2j08A1 MET 261 HG3 -0.11 -0.11 -0.02 -0.04 2.56 2.27 2j08A1 MET 261 HE3 -0.07 -0.04 -0.13 -0.04 2.10 1.83 2j08A1 ALA 262 H 0.10 0.55 -0.31 -0.55 8.40 8.20 2j08A1 ALA 262 HA 0.25 0.04 0.56 -0.75 4.34 4.44 2j08A1 ALA 262 HB3 0.10 -0.02 0.09 -0.04 1.41 1.55 2j08A1 GLU 263 H 0.31 0.74 -0.21 -0.55 8.60 8.89 2j08A1 GLU 263 HA 0.13 0.10 0.92 -0.75 4.29 4.69 2j08A1 GLU 263 HB2 0.16 -0.09 -0.00 -0.04 2.09 2.12 2j08A1 GLU 263 HB3 0.26 0.12 0.04 -0.04 1.99 2.36 2j08A1 GLU 263 HG2 0.15 0.02 -0.02 -0.04 2.34 2.45 2j08A1 GLU 263 HG3 0.07 -0.06 0.06 -0.04 2.34 2.37 2j08A1 ARG 264 H 0.49 0.36 -0.01 -0.55 8.46 8.74 2j08A1 ARG 264 HA 0.86 0.09 0.68 -0.75 4.34 5.22 2j08A1 ARG 264 HB2 0.32 0.05 -0.08 -0.04 1.90 2.16 2j08A1 ARG 264 HB3 0.31 0.01 -0.25 -0.04 1.80 1.83 2j08A1 ARG 264 HG2 0.42 -0.01 -0.17 -0.04 1.67 1.87 2j08A1 ARG 264 HG3 0.42 0.15 -0.44 -0.04 1.67 1.76 2j08A1 ARG 264 HD2 0.04 -0.00 -0.14 -0.04 3.22 3.08 2j08A1 ARG 264 HD3 0.14 0.02 -0.11 -0.04 3.22 3.23 2j08A1 PRO 265 HA -0.26 -0.06 0.30 -0.51 4.44 3.90 2j08A1 PRO 265 HB2 0.18 0.12 -0.02 -0.04 2.28 2.52 2j08A1 PRO 265 HB3 -0.02 0.02 0.16 -0.04 2.02 2.13 2j08A1 PRO 265 HG2 0.39 0.21 -0.18 -0.04 2.03 2.41 2j08A1 PRO 265 HG3 0.06 -0.02 0.05 -0.04 2.03 2.07 2j08A1 PRO 265 HD2 0.37 0.11 0.05 -0.04 3.68 4.17 2j08A1 PRO 265 HD3 0.70 0.11 0.18 -0.04 3.65 4.60 2j08A1 LEU 266 H -0.05 0.04 0.16 -0.55 8.37 7.98 2j08A1 LEU 266 HA 0.33 0.04 0.57 -0.75 4.35 4.54 2j08A1 LEU 266 HB2 -0.09 -0.05 0.09 -0.04 1.64 1.54 2j08A1 LEU 266 HB3 -0.06 0.02 -0.11 -0.04 1.64 1.45 2j08A1 LEU 266 HG -0.21 0.01 0.03 -0.04 1.64 1.42 2j08A1 LEU 266 HD13 -0.14 -0.00 -0.15 -0.04 0.93 0.60 2j08A1 LEU 266 HD23 -0.54 0.01 0.04 -0.04 0.89 0.36 2j08A1 ASP 267 H 0.02 0.55 -0.03 -0.55 8.40 8.39 2j08A1 ASP 267 HA 0.09 0.17 0.80 -0.75 4.63 4.94 2j08A1 ASP 267 HB2 0.01 -0.03 -0.07 -0.04 2.71 2.59 2j08A1 ASP 267 HB3 0.03 0.05 0.00 -0.04 2.70 2.74 2j08A1 PRO 268 HA 0.05 0.09 0.30 -0.51 4.44 4.37 2j08A1 PRO 268 HB2 0.02 0.02 0.04 -0.04 2.28 2.32 2j08A1 PRO 268 HB3 -0.02 0.01 0.09 -0.04 2.02 2.05 2j08A1 PRO 268 HG2 0.02 -0.00 0.10 -0.04 2.03 2.11 2j08A1 PRO 268 HG3 -0.01 0.07 0.10 -0.04 2.03 2.14 2j08A1 PRO 268 HD2 0.08 0.01 0.24 -0.04 3.68 3.97 2j08A1 PRO 268 HD3 0.10 0.54 0.38 -0.04 3.65 4.63 2j08A1 ARG 269 H 0.13 0.07 -0.39 -0.55 8.46 7.71 2j08A1 ARG 269 HA -0.04 0.07 0.14 -0.75 4.34 3.76 2j08A1 PHE 270 H 0.37 0.53 -0.37 -0.55 8.34 8.31 2j08A1 PHE 270 HA 0.09 0.18 0.64 -0.75 4.62 4.77 2j08A1 PHE 270 HB2 0.08 0.04 0.10 -0.04 3.15 3.34 2j08A1 PHE 270 HB3 0.19 -0.05 0.14 -0.04 3.06 3.30 2j08A1 PHE 270 HD2 0.06 -0.08 -0.05 -0.04 7.28 7.17 2j08A1 PHE 270 HE2 -0.01 -0.04 -0.02 -0.04 7.38 7.27 2j08A1 PHE 270 HZ -0.12 -0.08 0.02 -0.04 7.32 7.10 2j08A1 GLN 271 H 0.10 0.46 -0.22 -0.55 8.47 8.27 2j08A1 GLN 271 HA 0.26 0.03 0.18 -0.75 4.36 4.08 2j08A1 GLN 271 HB2 0.06 0.12 0.13 -0.04 2.15 2.42 2j08A1 GLN 271 HB3 0.09 -0.06 0.05 -0.04 2.02 2.05 2j08A1 GLN 271 HG2 0.19 -0.06 -0.05 -0.04 2.40 2.44 2j08A1 GLN 271 HG3 0.17 0.09 -0.13 -0.04 2.39 2.49 2j08A1 GLN 271 HE21 -0.08 -0.06 -0.02 -0.04 6.97 6.77 2j08A1 GLN 271 HE22 0.01 -0.00 0.00 -0.04 7.69 7.66 2j08A1 ALA 272 H -0.01 0.16 -0.22 -0.55 8.40 7.79 2j08A1 ALA 272 HA -0.01 0.20 0.95 -0.75 4.34 4.72 2j08A1 ALA 272 HB3 -0.08 -0.01 0.09 -0.04 1.41 1.37 2j08A1 PHE 273 H -0.01 0.29 -0.17 -0.55 8.34 7.90 2j08A1 PHE 273 HA -0.45 0.22 0.95 -0.75 4.62 4.59 2j08A1 PHE 273 HB2 -0.28 0.13 0.05 -0.04 3.15 3.01 2j08A1 PHE 273 HB3 -1.34 -0.09 0.07 -0.04 3.06 1.65 2j08A1 PHE 273 HD2 -0.95 -0.07 -0.35 -0.04 7.28 5.88 2j08A1 PHE 273 HE2 -0.23 0.00 -0.11 -0.04 7.38 7.00 2j08A1 PHE 273 HZ -0.10 -0.02 -0.02 -0.04 7.32 7.14 2j08A1 PRO 274 HA -0.25 0.13 0.71 -0.51 4.44 4.52 2j08A1 PRO 274 HB2 -0.16 0.02 0.16 -0.04 2.28 2.26 2j08A1 PRO 274 HB3 -0.22 -0.01 0.06 -0.04 2.02 1.81 2j08A1 PRO 274 HG2 -0.40 0.01 0.13 -0.04 2.03 1.72 2j08A1 PRO 274 HG3 -0.39 0.00 0.10 -0.04 2.03 1.69 2j08A1 PRO 274 HD2 -1.85 0.08 0.10 -0.04 3.68 1.97 2j08A1 PRO 274 HD3 -0.85 0.21 0.23 -0.04 3.65 3.20 2j08A1 TRP 275 H -0.85 0.28 -0.06 -0.55 7.97 6.79 2j08A1 TRP 275 HA 0.18 0.26 0.53 -0.75 4.62 4.84 2j08A1 TRP 275 HB2 0.07 -0.11 0.01 -0.04 3.23 3.16 2j08A1 TRP 275 HB3 0.07 0.00 -0.14 -0.04 3.23 3.12 2j08A1 TRP 275 HD1 0.10 -0.05 0.10 -0.04 7.22 7.33 2j08A1 TRP 275 HE1 0.36 0.04 0.09 -0.04 10.20 10.65 2j08A1 TRP 275 HE3 0.11 0.19 -0.14 -0.04 7.59 7.71 2j08A1 TRP 275 HZ2 0.15 0.06 0.02 -0.04 7.44 7.63 2j08A1 TRP 275 HZ3 -0.40 0.11 -0.03 -0.04 7.13 6.77 2j08A1 TRP 275 HH2 -0.55 0.06 -0.04 -0.04 7.19 6.63 2j08A1 GLN 276 H 0.33 0.65 0.08 -0.55 8.47 8.98 2j08A1 GLN 276 HA 0.13 0.08 0.80 -0.75 4.36 4.61 2j08A1 GLN 276 HB2 0.17 0.10 0.16 -0.04 2.15 2.54 2j08A1 GLN 276 HB3 0.11 -0.04 0.12 -0.04 2.02 2.17 2j08A1 GLN 276 HG2 0.07 -0.08 0.06 -0.04 2.40 2.40 2j08A1 GLN 276 HG3 0.09 0.17 -0.25 -0.04 2.39 2.36 2j08A1 GLN 276 HE21 0.04 -0.07 0.01 -0.04 6.97 6.90 2j08A1 GLN 276 HE22 0.02 0.07 -0.01 -0.04 7.69 7.73 2j08A1 GLU 277 H 0.11 0.12 -0.05 -0.55 8.60 8.24 2j08A1 GLU 277 HA 0.07 0.10 0.72 -0.75 4.29 4.42 2j08A1 GLU 277 HB2 0.02 0.04 0.11 -0.04 2.09 2.22 2j08A1 GLU 277 HB3 0.03 0.01 0.07 -0.04 1.99 2.07 2j08A1 GLU 277 HG2 -0.02 0.03 -0.00 -0.04 2.34 2.30 2j08A1 GLU 277 HG3 0.01 -0.12 -0.05 -0.04 2.34 2.15 2j08A1 ASP 278 H 0.07 0.11 -0.15 -0.55 8.40 7.89 2j08A1 ASP 278 HA 0.07 0.01 0.45 -0.75 4.63 4.41 2j08A1 ASP 278 HB2 0.09 0.34 0.00 -0.04 2.71 3.10 2j08A1 ASP 278 HB3 0.12 0.10 -0.19 -0.04 2.70 2.69 2j08A1 GLU 279 H 0.08 0.22 0.11 -0.55 8.60 8.46 2j08A1 GLU 279 HA 0.16 0.08 0.41 -0.75 4.29 4.18 2j08A1 GLU 279 HB2 0.06 0.02 0.14 -0.04 2.09 2.26 2j08A1 GLU 279 HB3 0.08 0.01 0.09 -0.04 1.99 2.13 2j08A1 GLU 279 HG2 0.06 0.04 0.00 -0.04 2.34 2.40 2j08A1 GLU 279 HG3 0.12 0.02 -0.07 -0.04 2.34 2.37 2j08A1 ALA 280 H 0.10 0.08 -0.14 -0.55 8.40 7.89 2j08A1 ALA 280 HA 0.10 0.07 0.25 -0.75 4.34 4.01 2j08A1 ALA 280 HB3 0.09 0.02 0.09 -0.04 1.41 1.57 2j08A1 LEU 281 H 0.14 0.06 -0.27 -0.55 8.37 7.75 2j08A1 LEU 281 HA 0.16 0.02 0.26 -0.75 4.35 4.03 2j08A1 LEU 281 HB2 0.15 0.04 0.06 -0.04 1.64 1.86 2j08A1 LEU 281 HB3 0.18 0.05 -0.18 -0.04 1.64 1.65 2j08A1 LEU 281 HG 0.12 -0.02 -0.00 -0.04 1.64 1.70 2j08A1 LEU 281 HD13 0.14 0.03 -0.03 -0.04 0.93 1.02 2j08A1 LEU 281 HD23 0.15 -0.00 -0.06 -0.04 0.89 0.93 2j08A1 PHE 282 H 0.29 0.53 0.06 -0.55 8.34 8.67 2j08A1 PHE 282 HA 0.27 0.02 0.69 -0.75 4.62 4.84 2j08A1 PHE 282 HB2 0.08 -0.01 0.12 -0.04 3.15 3.30 2j08A1 PHE 282 HB3 0.10 0.05 0.11 -0.04 3.06 3.28 2j08A1 PHE 282 HD2 0.05 0.01 -0.08 -0.04 7.28 7.22 2j08A1 PHE 282 HE2 -0.07 0.00 -0.11 -0.04 7.38 7.17 2j08A1 PHE 282 HZ -0.06 0.04 -0.08 -0.04 7.32 7.19 2j08A1 GLN 283 H 0.24 0.61 -0.14 -0.55 8.47 8.63 2j08A1 GLN 283 HA 0.13 0.02 0.40 -0.75 4.36 4.15 2j08A1 GLN 283 HB2 0.14 0.26 0.20 -0.04 2.15 2.70 2j08A1 GLN 283 HB3 0.11 -0.03 0.05 -0.04 2.02 2.11 2j08A1 GLN 283 HG2 0.21 0.02 0.02 -0.04 2.40 2.61 2j08A1 GLN 283 HG3 0.14 -0.03 0.00 -0.04 2.39 2.46 2j08A1 GLN 283 HE21 0.32 0.02 -0.02 -0.04 6.97 7.25 2j08A1 GLN 283 HE22 0.18 0.02 0.04 -0.04 7.69 7.88 2j08A1 ALA 284 H 0.14 0.26 -0.19 -0.55 8.40 8.07 2j08A1 ALA 284 HA 0.06 0.08 0.08 -0.75 4.34 3.80 2j08A1 ALA 284 HB3 0.11 0.03 -0.07 -0.04 1.41 1.45 2j08A1 TRP 285 H 0.32 0.53 -0.03 -0.55 7.97 8.23 2j08A1 TRP 285 HA 0.04 -0.05 0.62 -0.75 4.62 4.47 2j08A1 TRP 285 HB2 0.13 -0.03 0.12 -0.04 3.23 3.41 2j08A1 TRP 285 HB3 -0.03 0.12 0.21 -0.04 3.23 3.49 2j08A1 TRP 285 HD1 0.18 -0.09 0.03 -0.04 7.22 7.30 2j08A1 TRP 285 HE1 0.19 0.20 -0.01 -0.04 10.20 10.54 2j08A1 TRP 285 HE3 -0.33 0.06 0.02 -0.04 7.59 7.30 2j08A1 TRP 285 HZ2 0.41 -0.03 -0.16 -0.04 7.44 7.62 2j08A1 TRP 285 HZ3 0.28 -0.02 -0.02 -0.04 7.13 7.33 2j08A1 TRP 285 HH2 0.50 0.10 -0.03 -0.04 7.19 7.72 2j08A1 TYR 286 H 0.13 0.69 -0.10 -0.55 8.29 8.46 2j08A1 TYR 286 HA -0.79 -0.02 0.20 -0.75 4.56 3.19 2j08A1 TYR 286 HB2 -0.69 0.03 0.08 -0.04 3.06 2.44 2j08A1 TYR 286 HB3 -0.21 0.08 0.12 -0.04 2.98 2.93 2j08A1 TYR 286 HD2 -0.06 -0.02 -0.06 -0.04 7.15 6.98 2j08A1 TYR 286 HE2 0.11 0.01 -0.08 -0.04 6.85 6.85 2j08A1 GLU 287 H -0.12 0.32 -0.41 -0.55 8.60 7.85 2j08A1 GLU 287 HA -0.53 0.14 0.47 -0.75 4.29 3.61 2j08A1 GLU 287 HB2 -0.08 0.03 -0.00 -0.04 2.09 2.00 2j08A1 GLU 287 HB3 -0.18 -0.03 0.10 -0.04 1.99 1.84 2j08A1 GLU 287 HG2 0.07 0.03 -0.00 -0.04 2.34 2.40 2j08A1 GLU 287 HG3 -0.02 -0.08 -0.02 -0.04 2.34 2.19 2j08A1 GLY 288 H -0.28 0.53 -0.35 -0.55 8.43 7.78 2j08A1 GLY 288 HA2 -0.14 -0.03 0.36 -0.51 4.01 3.69 2j08A1 GLY 288 HA3 -0.13 0.03 0.55 -0.51 4.01 3.96 2j08A1 LYS 289 H -0.02 0.92 0.02 -0.55 8.42 8.79 2j08A1 LYS 289 HA 0.03 0.21 0.93 -0.75 4.32 4.74 2j08A1 LYS 289 HB2 0.02 -0.07 0.08 -0.04 1.87 1.87 2j08A1 LYS 289 HB3 0.03 -0.03 0.16 -0.04 1.79 1.90 2j08A1 LYS 289 HG2 -0.05 0.13 -0.36 -0.04 1.46 1.14 2j08A1 LYS 289 HG3 -0.02 -0.06 -0.06 -0.04 1.46 1.28 2j08A1 LYS 289 HD2 -0.02 -0.09 0.02 -0.04 1.69 1.57 2j08A1 LYS 289 HD3 -0.03 0.25 -0.07 -0.04 1.68 1.78 2j08A1 LYS 289 HE2 -0.05 -0.06 -0.00 -0.04 2.99 2.83 2j08A1 LYS 289 HE3 -0.07 0.11 -0.01 -0.04 2.99 2.98 2j08A1 THR 290 H 0.02 0.07 -0.12 -0.55 8.28 7.70 2j08A1 THR 290 HA 0.10 0.16 0.16 -0.75 4.39 4.05 2j08A1 THR 290 HB 0.09 -0.02 0.01 -0.04 4.32 4.36 2j08A1 THR 290 HG23 0.15 0.06 -0.24 -0.04 1.22 1.15 2j08A1 GLY 291 H 0.05 0.03 -0.11 -0.55 8.43 7.86 2j08A1 GLY 291 HA2 0.19 0.17 0.17 -0.51 4.01 4.03 2j08A1 GLY 291 HA3 0.07 0.26 0.42 -0.51 4.01 4.25 2j08A1 VAL 292 H -0.14 -0.04 -0.21 -0.55 8.24 7.30 2j08A1 VAL 292 HA -0.22 0.29 0.85 -0.75 4.13 4.29 2j08A1 VAL 292 HB -0.38 -0.09 0.12 -0.04 2.12 1.73 2j08A1 VAL 292 HG13 -0.16 -0.03 -0.08 -0.04 0.97 0.66 2j08A1 VAL 292 HG23 -0.13 0.04 -0.14 -0.04 0.95 0.68 2j08A1 PRO 293 HA -0.79 0.10 0.13 -0.51 4.44 3.37 2j08A1 PRO 293 HB2 -0.21 -0.11 0.02 -0.04 2.28 1.94 2j08A1 PRO 293 HB3 -0.30 0.11 -0.04 -0.04 2.02 1.75 2j08A1 PRO 293 HG2 -0.17 -0.04 -0.04 -0.04 2.03 1.74 2j08A1 PRO 293 HG3 -0.56 0.12 0.07 -0.04 2.03 1.62 2j08A1 PRO 293 HD2 -0.18 0.09 -0.07 -0.04 3.68 3.47 2j08A1 PRO 293 HD3 -0.50 0.32 0.15 -0.04 3.65 3.58 2j08A1 LEU 294 H 0.03 0.08 -0.43 -0.55 8.37 7.49 2j08A1 LEU 294 HA 0.39 0.08 0.31 -0.75 4.35 4.38 2j08A1 LEU 294 HB2 0.52 0.00 0.05 -0.04 1.64 2.17 2j08A1 LEU 294 HB3 0.16 -0.01 0.05 -0.04 1.64 1.80 2j08A1 LEU 294 HG 0.06 -0.01 -0.11 -0.04 1.64 1.53 2j08A1 LEU 294 HD13 0.14 0.00 -0.11 -0.04 0.93 0.92 2j08A1 LEU 294 HD23 -0.05 0.07 -0.08 -0.04 0.89 0.79 2j08A1 VAL 295 H -0.12 0.32 -0.04 -0.55 8.24 7.85 2j08A1 VAL 295 HA 0.00 0.13 0.51 -0.75 4.13 4.02 2j08A1 VAL 295 HB -0.34 -0.07 0.10 -0.04 2.12 1.77 2j08A1 VAL 295 HG13 -0.04 0.02 -0.03 -0.04 0.97 0.87 2j08A1 VAL 295 HG23 -0.53 0.00 -0.04 -0.04 0.95 0.34 2j08A1 ASP 296 H -0.09 0.37 -0.14 -0.55 8.40 7.99 2j08A1 ASP 296 HA -0.07 0.09 0.84 -0.75 4.63 4.74 2j08A1 ASP 296 HB2 0.16 0.02 0.01 -0.04 2.71 2.86 2j08A1 ASP 296 HB3 0.04 0.51 0.22 -0.04 2.70 3.43 2j08A1 ALA 297 H -0.04 0.44 -0.17 -0.55 8.40 8.09 2j08A1 ALA 297 HA -0.15 0.20 0.33 -0.75 4.34 3.96 2j08A1 ALA 297 HB3 -0.58 0.00 0.01 -0.04 1.41 0.80 2j08A1 ALA 298 H 0.10 0.38 -0.19 -0.55 8.40 8.15 2j08A1 ALA 298 HA 0.15 -0.01 0.40 -0.75 4.34 4.11 2j08A1 ALA 298 HB3 0.18 -0.00 0.14 -0.04 1.41 1.68 2j08A1 MET 299 H -0.09 0.63 -0.07 -0.55 8.47 8.40 2j08A1 MET 299 HA -0.19 -0.04 0.04 -0.75 4.52 3.57 2j08A1 MET 299 HB2 -0.21 -0.03 0.24 -0.04 2.15 2.11 2j08A1 MET 299 HB3 -0.30 0.09 0.02 -0.04 2.03 1.80 2j08A1 MET 299 HG2 -0.23 0.04 0.16 -0.04 2.63 2.55 2j08A1 MET 299 HG3 -0.76 0.27 0.07 -0.04 2.56 2.10 2j08A1 MET 299 HE3 -1.05 0.03 -0.08 -0.04 2.10 0.96 2j08A1 ARG 300 H -0.14 0.45 -0.39 -0.55 8.46 7.83 2j08A1 ARG 300 HA -0.07 0.02 0.55 -0.75 4.34 4.09 2j08A1 ARG 300 HB2 -0.01 0.11 0.21 -0.04 1.90 2.17 2j08A1 ARG 300 HB3 0.03 -0.08 0.15 -0.04 1.80 1.85 2j08A1 ARG 300 HG2 -0.09 -0.03 0.05 -0.04 1.67 1.55 2j08A1 ARG 300 HG3 -0.08 0.01 0.18 -0.04 1.67 1.74 2j08A1 ARG 300 HD2 -0.01 0.10 0.05 -0.04 3.22 3.32 2j08A1 ARG 300 HD3 -0.02 -0.09 0.10 -0.04 3.22 3.17 2j08A1 GLU 301 H -0.49 0.70 0.09 -0.55 8.60 8.36 2j08A1 GLU 301 HA -1.32 0.05 0.71 -0.75 4.29 2.97 2j08A1 GLU 301 HB2 -2.80 -0.03 0.13 -0.04 2.09 -0.65 2j08A1 GLU 301 HB3 -0.77 0.04 0.23 -0.04 1.99 1.45 2j08A1 GLU 301 HG2 -0.49 0.25 -0.11 -0.04 2.34 1.95 2j08A1 GLU 301 HG3 -1.15 -0.04 0.03 -0.04 2.34 1.13 2j08A1 LEU 302 H -0.33 0.47 -0.03 -0.55 8.37 7.94 2j08A1 LEU 302 HA -0.28 -0.09 0.37 -0.75 4.35 3.60 2j08A1 LEU 302 HB2 -0.30 -0.07 -0.03 -0.04 1.64 1.19 2j08A1 LEU 302 HB3 -0.34 0.21 0.05 -0.04 1.64 1.52 2j08A1 LEU 302 HG -0.43 0.07 -0.21 -0.04 1.64 1.04 2j08A1 LEU 302 HD13 -0.42 -0.05 -0.28 -0.04 0.93 0.14 2j08A1 LEU 302 HD23 -0.65 0.01 -0.07 -0.04 0.89 0.14 2j08A1 HIS 303 H -0.17 0.46 -0.15 -0.55 8.41 8.01 2j08A1 HIS 303 HA -0.17 0.01 0.45 -0.75 4.63 4.17 2j08A1 HIS 303 HB2 -0.19 0.09 0.24 -0.04 3.26 3.37 2j08A1 HIS 303 HB3 -0.13 -0.04 0.11 -0.04 3.20 3.09 2j08A1 HIS 303 HD2 -0.40 0.18 0.08 -0.04 6.97 6.77 2j08A1 HIS 303 HE1 -0.42 -0.10 -0.02 -0.04 7.75 7.17 2j08A1 ALA 304 H -0.05 0.47 -0.06 -0.55 8.40 8.21 2j08A1 ALA 304 HA 0.04 -0.01 0.21 -0.75 4.34 3.82 2j08A1 ALA 304 HB3 0.16 -0.02 0.16 -0.04 1.41 1.66 2j08A1 THR 305 H -0.13 0.37 -0.16 -0.55 8.28 7.82 2j08A1 THR 305 HA -0.00 0.30 1.22 -0.75 4.39 5.16 2j08A1 THR 305 HB 0.04 -0.07 0.09 -0.04 4.32 4.34 2j08A1 THR 305 HG23 0.14 0.00 -0.05 -0.04 1.22 1.27 2j08A1 GLY 306 H -0.14 0.59 0.21 -0.55 8.43 8.55 2j08A1 GLY 306 HA2 -0.13 0.47 0.57 -0.51 4.01 4.41 2j08A1 GLY 306 HA3 -0.11 0.04 0.76 -0.51 4.01 4.20 2j08A1 PHE 307 H -0.05 0.20 -0.28 -0.55 8.34 7.66 2j08A1 PHE 307 HA -0.13 0.10 0.83 -0.75 4.62 4.66 2j08A1 PHE 307 HB2 -0.13 0.08 -0.22 -0.04 3.15 2.84 2j08A1 PHE 307 HB3 -0.09 0.06 -0.14 -0.04 3.06 2.85 2j08A1 PHE 307 HD2 -0.04 0.04 -0.16 -0.04 7.28 7.08 2j08A1 PHE 307 HE2 0.02 -0.05 -0.11 -0.04 7.38 7.19 2j08A1 PHE 307 HZ 0.02 -0.12 -0.07 -0.04 7.32 7.11 2j08A1 LEU 308 H -1.46 0.27 0.12 -0.55 8.37 6.74 2j08A1 LEU 308 HA -0.32 0.13 0.67 -0.75 4.35 4.08 2j08A1 LEU 308 HB2 -0.32 0.03 -0.40 -0.04 1.64 0.91 2j08A1 LEU 308 HB3 -0.26 -0.02 -0.17 -0.04 1.64 1.15 2j08A1 LEU 308 HG -0.09 -0.13 -0.05 -0.04 1.64 1.33 2j08A1 LEU 308 HD13 -0.15 0.03 0.14 -0.04 0.93 0.91 2j08A1 LEU 308 HD23 -0.01 -0.01 -0.16 -0.04 0.89 0.67 2j08A1 SER 309 H -0.23 0.20 0.10 -0.55 8.46 7.98 2j08A1 SER 309 HA -0.21 0.10 0.33 -0.75 4.49 3.96 2j08A1 SER 309 HB2 -0.15 0.03 0.05 -0.04 3.95 3.85 2j08A1 SER 309 HB3 -0.12 0.14 -0.20 -0.04 3.93 3.71 2j08A1 ASN 310 H -0.12 0.18 0.19 -0.55 8.53 8.23 2j08A1 ASN 310 HA -0.17 0.11 0.42 -0.75 4.76 4.37 2j08A1 ASN 310 HB2 -0.15 0.01 0.15 -0.04 2.88 2.85 2j08A1 ASN 310 HB3 -0.20 0.05 0.05 -0.04 2.79 2.66 2j08A1 ASN 310 HD21 -0.32 0.03 0.01 -0.04 7.03 6.71 2j08A1 ASN 310 HD22 -0.19 -0.00 0.07 -0.04 7.74 7.58 2j08A1 ARG 311 H -0.23 0.19 -0.13 -0.55 8.46 7.73 2j08A1 ARG 311 HA -0.27 0.07 0.47 -0.75 4.34 3.86 2j08A1 ARG 311 HB2 -0.36 -0.02 0.06 -0.04 1.90 1.53 2j08A1 ARG 311 HB3 -0.35 0.17 -0.05 -0.04 1.80 1.53 2j08A1 ARG 311 HG2 -0.60 0.29 -0.02 -0.04 1.67 1.30 2j08A1 ARG 311 HG3 -0.39 -0.08 -0.18 -0.04 1.67 0.98 2j08A1 ARG 311 HD2 -0.40 -0.01 -0.00 -0.04 3.22 2.77 2j08A1 ARG 311 HD3 -0.42 -0.11 0.10 -0.04 3.22 2.75 2j08A1 ALA 312 H -0.26 0.14 -0.26 -0.55 8.40 7.48 2j08A1 ALA 312 HA -0.19 0.10 0.55 -0.75 4.34 4.05 2j08A1 ALA 312 HB3 -0.15 0.03 0.11 -0.04 1.41 1.35 2j08A1 ARG 313 H -0.12 0.58 -0.14 -0.55 8.46 8.23 2j08A1 ARG 313 HA 0.15 0.02 0.24 -0.75 4.34 3.99 2j08A1 ARG 313 HB2 -0.08 0.10 0.12 -0.04 1.90 2.00 2j08A1 ARG 313 HB3 0.03 -0.03 -0.05 -0.04 1.80 1.71 2j08A1 ARG 313 HG2 0.13 -0.03 -0.11 -0.04 1.67 1.61 2j08A1 ARG 313 HG3 -0.12 0.24 -0.27 -0.04 1.67 1.48 2j08A1 ARG 313 HD2 -0.02 -0.05 -0.10 -0.04 3.22 3.01 2j08A1 ARG 313 HD3 0.17 -0.01 -0.10 -0.04 3.22 3.24 2j08A1 MET 314 H -0.13 0.49 -0.20 -0.55 8.47 8.08 2j08A1 MET 314 HA -0.06 0.02 0.26 -0.75 4.52 3.99 2j08A1 MET 314 HB2 0.46 -0.01 0.09 -0.04 2.15 2.65 2j08A1 MET 314 HB3 0.00 0.13 0.13 -0.04 2.03 2.25 2j08A1 MET 314 HG2 -0.26 0.04 0.12 -0.04 2.63 2.48 2j08A1 MET 314 HG3 -0.27 0.01 -0.12 -0.04 2.56 2.14 2j08A1 MET 314 HE3 -0.13 -0.01 -0.10 -0.04 2.10 1.82 2j08A1 ASN 315 H -0.29 0.35 -0.16 -0.55 8.53 7.88 2j08A1 ASN 315 HA -0.05 0.00 0.56 -0.75 4.76 4.52 2j08A1 ASN 315 HB2 -0.22 0.23 0.17 -0.04 2.88 3.02 2j08A1 ASN 315 HB3 -0.06 -0.07 -0.13 -0.04 2.79 2.49 2j08A1 ASN 315 HD21 -0.79 -0.07 -0.02 -0.04 7.03 6.10 2j08A1 ASN 315 HD22 -0.60 0.29 0.09 -0.04 7.74 7.48 2j08A1 ALA 316 H 0.01 1.05 0.05 -0.55 8.40 8.97 2j08A1 ALA 316 HA 0.22 -0.06 0.52 -0.75 4.34 4.26 2j08A1 ALA 316 HB3 0.21 -0.00 0.08 -0.04 1.41 1.65 2j08A1 ALA 317 H -0.19 0.75 -0.14 -0.55 8.40 8.28 2j08A1 ALA 317 HA -0.36 0.01 0.29 -0.75 4.34 3.52 2j08A1 ALA 317 HB3 -1.58 0.01 0.04 -0.04 1.41 -0.16 2j08A1 GLN 318 H -0.10 0.62 -0.00 -0.55 8.47 8.45 2j08A1 GLN 318 HA -0.18 0.05 0.27 -0.75 4.36 3.75 2j08A1 GLN 318 HB2 -0.01 0.08 0.12 -0.04 2.15 2.29 2j08A1 GLN 318 HB3 0.26 -0.04 0.10 -0.04 2.02 2.30 2j08A1 GLN 318 HG2 -0.15 -0.16 -0.12 -0.04 2.40 1.93 2j08A1 GLN 318 HG3 -0.30 0.15 0.09 -0.04 2.39 2.28 2j08A1 GLN 318 HE21 -1.01 0.02 0.11 -0.04 6.97 6.05 2j08A1 GLN 318 HE22 -0.58 0.54 0.20 -0.04 7.69 7.81 2j08A1 PHE 319 H 0.25 0.49 -0.38 -0.55 8.34 8.14 2j08A1 PHE 319 HA 0.20 0.00 0.47 -0.75 4.62 4.53 2j08A1 PHE 319 HB2 0.14 0.14 0.15 -0.04 3.15 3.54 2j08A1 PHE 319 HB3 0.21 0.15 0.17 -0.04 3.06 3.54 2j08A1 PHE 319 HD2 0.09 0.05 -0.13 -0.04 7.28 7.25 2j08A1 PHE 319 HE2 -0.14 -0.01 -0.06 -0.04 7.38 7.12 2j08A1 PHE 319 HZ -0.05 -0.02 -0.07 -0.04 7.32 7.13 2j08A1 ALA 320 H 0.12 0.45 -0.11 -0.55 8.40 8.30 2j08A1 ALA 320 HA -0.16 -0.04 0.32 -0.75 4.34 3.71 2j08A1 ALA 320 HB3 -0.85 0.04 0.03 -0.04 1.41 0.59 2j08A1 VAL 321 H -0.06 0.39 -0.16 -0.55 8.24 7.85 2j08A1 VAL 321 HA -0.10 0.09 0.58 -0.75 4.13 3.95 2j08A1 VAL 321 HB -0.13 0.06 0.11 -0.04 2.12 2.12 2j08A1 VAL 321 HG13 -0.16 0.02 -0.07 -0.04 0.97 0.72 2j08A1 VAL 321 HG23 0.07 0.01 0.00 -0.04 0.95 1.00 2j08A1 LYS 322 H -0.18 0.91 0.08 -0.55 8.42 8.68 2j08A1 LYS 322 HA -0.28 0.19 0.54 -0.75 4.32 4.02 2j08A1 LYS 322 HB2 -0.44 0.04 0.09 -0.04 1.87 1.52 2j08A1 LYS 322 HB3 -0.85 -0.08 0.01 -0.04 1.79 0.83 2j08A1 LYS 322 HG2 -1.83 0.00 -0.03 -0.04 1.46 -0.44 2j08A1 LYS 322 HG3 -0.48 -0.03 -0.05 -0.04 1.46 0.85 2j08A1 LYS 322 HD2 -0.47 -0.08 0.05 -0.04 1.69 1.15 2j08A1 LYS 322 HD3 -0.66 -0.05 -0.03 -0.04 1.68 0.89 2j08A1 LYS 322 HE2 -0.31 0.08 -0.16 -0.04 2.99 2.56 2j08A1 LYS 322 HE3 -0.44 0.19 -0.00 -0.04 2.99 2.70 2j08A1 HIS 323 H -0.23 0.58 0.14 -0.55 8.41 8.36 2j08A1 HIS 323 HA -0.19 0.15 0.75 -0.75 4.63 4.58 2j08A1 HIS 323 HB2 -1.42 0.09 0.20 -0.04 3.26 2.08 2j08A1 HIS 323 HB3 -0.76 -0.10 0.02 -0.04 3.20 2.32 2j08A1 HIS 323 HD2 -0.08 -0.05 0.07 -0.04 6.97 6.86 2j08A1 HIS 323 HE1 0.05 0.33 0.05 -0.04 7.75 8.14 2j08A1 LEU 324 H -0.12 0.38 0.01 -0.55 8.37 8.09 2j08A1 LEU 324 HA 0.07 0.14 0.64 -0.75 4.35 4.45 2j08A1 LEU 324 HB2 0.01 0.13 0.13 -0.04 1.64 1.87 2j08A1 LEU 324 HB3 0.11 -0.06 0.03 -0.04 1.64 1.68 2j08A1 LEU 324 HG 0.11 0.00 -0.19 -0.04 1.64 1.52 2j08A1 LEU 324 HD13 0.34 -0.02 -0.07 -0.04 0.93 1.13 2j08A1 LEU 324 HD23 0.20 0.01 -0.29 -0.04 0.89 0.78 2j08A1 LEU 325 H 0.07 0.09 -0.46 -0.55 8.37 7.51 2j08A1 LEU 325 HA 0.32 0.35 0.40 -0.75 4.35 4.67 2j08A1 LEU 325 HB2 0.24 0.09 -0.06 -0.04 1.64 1.86 2j08A1 LEU 325 HB3 0.46 -0.07 0.23 -0.04 1.64 2.22 2j08A1 LEU 325 HG 0.21 -0.00 -0.35 -0.04 1.64 1.45 2j08A1 LEU 325 HD13 0.23 -0.01 -0.04 -0.04 0.93 1.07 2j08A1 LEU 325 HD23 0.47 0.07 0.03 -0.04 0.89 1.43 2j08A1 LEU 326 H 0.01 0.48 -0.21 -0.55 8.37 8.10 2j08A1 LEU 326 HA 0.09 0.20 0.46 -0.75 4.35 4.35 2j08A1 LEU 326 HB2 -0.16 -0.03 -0.11 -0.04 1.64 1.29 2j08A1 LEU 326 HB3 -0.04 -0.04 -0.05 -0.04 1.64 1.46 2j08A1 LEU 326 HG 0.06 0.11 -0.12 -0.04 1.64 1.65 2j08A1 LEU 326 HD13 0.02 -0.03 -0.07 -0.04 0.93 0.81 2j08A1 LEU 326 HD23 0.17 0.01 -0.01 -0.04 0.89 1.02 2j08A1 PRO 327 HA -0.81 0.16 0.50 -0.51 4.44 3.78 2j08A1 PRO 327 HB2 -0.32 -0.16 0.09 -0.04 2.28 1.84 2j08A1 PRO 327 HB3 -0.21 0.11 0.10 -0.04 2.02 1.98 2j08A1 PRO 327 HG2 -0.06 -0.02 0.07 -0.04 2.03 1.98 2j08A1 PRO 327 HG3 0.11 0.08 -0.07 -0.04 2.03 2.11 2j08A1 PRO 327 HD2 -0.12 -0.02 0.17 -0.04 3.68 3.67 2j08A1 PRO 327 HD3 0.03 0.20 0.20 -0.04 3.65 4.03 2j08A1 TRP 328 H -0.71 0.25 0.15 -0.55 7.97 7.12 2j08A1 TRP 328 HA -0.51 0.05 0.41 -0.75 4.62 3.81 2j08A1 TRP 328 HB2 -0.23 -0.03 -0.02 -0.04 3.23 2.91 2j08A1 TRP 328 HB3 -0.45 0.11 0.08 -0.04 3.23 2.93 2j08A1 TRP 328 HD1 -0.83 0.05 0.07 -0.04 7.22 6.47 2j08A1 TRP 328 HE1 0.17 0.10 0.03 -0.04 10.20 10.46 2j08A1 TRP 328 HE3 -0.14 -0.09 -0.24 -0.04 7.59 7.08 2j08A1 TRP 328 HZ2 0.09 0.06 -0.42 -0.04 7.44 7.13 2j08A1 TRP 328 HZ3 -0.02 -0.02 -0.13 -0.04 7.13 6.92 2j08A1 TRP 328 HH2 0.04 0.08 -0.60 -0.04 7.19 6.68 2j08A1 LYS 329 H -1.30 0.15 -0.18 -0.55 8.42 6.54 2j08A1 LYS 329 HA -0.68 0.06 0.19 -0.75 4.32 3.14 2j08A1 LYS 329 HB2 -0.66 -0.04 0.09 -0.04 1.87 1.21 2j08A1 LYS 329 HB3 -0.50 0.02 0.01 -0.04 1.79 1.28 2j08A1 LYS 329 HG2 -0.80 0.13 0.02 -0.04 1.46 0.77 2j08A1 LYS 329 HG3 -2.58 -0.06 -0.05 -0.04 1.46 -1.27 2j08A1 LYS 329 HD2 -0.81 0.24 0.00 -0.04 1.69 1.07 2j08A1 LYS 329 HD3 -0.76 -0.11 0.04 -0.04 1.68 0.82 2j08A1 LYS 329 HE2 -0.29 -0.09 0.04 -0.04 2.99 2.61 2j08A1 LYS 329 HE3 -0.32 -0.01 0.06 -0.04 2.99 2.68 2j08A1 ARG 330 H -0.43 0.11 -0.18 -0.55 8.46 7.41 2j08A1 ARG 330 HA -0.29 0.03 0.31 -0.75 4.34 3.64 2j08A1 ARG 330 HB2 -0.34 -0.03 0.10 -0.04 1.90 1.60 2j08A1 ARG 330 HB3 -0.36 0.08 0.08 -0.04 1.80 1.56 2j08A1 ARG 330 HG2 -0.59 0.01 -0.11 -0.04 1.67 0.95 2j08A1 ARG 330 HG3 -0.39 -0.00 0.04 -0.04 1.67 1.28 2j08A1 ARG 330 HD2 -0.48 -0.02 0.01 -0.04 3.22 2.68 2j08A1 ARG 330 HD3 -1.17 -0.00 -0.02 -0.04 3.22 1.98 2j08A1 CYS 331 H -0.37 0.39 -0.30 -0.55 8.50 7.67 2j08A1 CYS 331 HA 0.23 -0.02 0.18 -0.75 4.58 4.23 2j08A1 CYS 331 HB2 -0.89 0.11 0.02 -0.04 2.97 2.17 2j08A1 CYS 331 HB3 -0.84 -0.05 -0.09 -0.04 2.97 1.95 2j08A1 GLU 332 H -0.67 0.58 -0.18 -0.55 8.60 7.79 2j08A1 GLU 332 HA -1.28 0.04 0.31 -0.75 4.29 2.60 2j08A1 GLU 332 HB2 -3.20 -0.04 0.01 -0.04 2.09 -1.17 2j08A1 GLU 332 HB3 -0.79 0.26 0.08 -0.04 1.99 1.50 2j08A1 GLU 332 HG2 -0.24 -0.07 -0.11 -0.04 2.34 1.88 2j08A1 GLU 332 HG3 -0.03 -0.01 -0.09 -0.04 2.34 2.17 2j08A1 GLU 333 H -0.29 0.47 0.02 -0.55 8.60 8.24 2j08A1 GLU 333 HA -0.20 -0.04 0.51 -0.75 4.29 3.82 2j08A1 GLU 333 HB2 -0.21 0.20 0.15 -0.04 2.09 2.20 2j08A1 GLU 333 HB3 -0.15 0.06 -0.03 -0.04 1.99 1.83 2j08A1 GLU 333 HG2 -0.32 -0.06 0.03 -0.04 2.34 1.95 2j08A1 GLU 333 HG3 -0.15 -0.02 0.02 -0.04 2.34 2.16 2j08A1 ALA 334 H 0.02 0.47 -0.23 -0.55 8.40 8.11 2j08A1 ALA 334 HA 0.13 -0.00 0.38 -0.75 4.34 4.10 2j08A1 ALA 334 HB3 0.30 0.01 0.06 -0.04 1.41 1.75 2j08A1 PHE 335 H 0.41 0.62 -0.18 -0.55 8.34 8.64 2j08A1 PHE 335 HA 0.23 0.02 0.33 -0.75 4.62 4.45 2j08A1 PHE 335 HB2 0.53 0.23 0.17 -0.04 3.15 4.04 2j08A1 PHE 335 HB3 0.40 0.05 0.06 -0.04 3.06 3.53 2j08A1 PHE 335 HD2 0.43 0.01 -0.10 -0.04 7.28 7.59 2j08A1 PHE 335 HE2 0.10 -0.03 -0.10 -0.04 7.38 7.31 2j08A1 PHE 335 HZ 0.02 -0.08 -0.07 -0.04 7.32 7.14 2j08A1 ARG 336 H 0.15 0.47 -0.24 -0.55 8.46 8.29 2j08A1 ARG 336 HA 0.14 -0.05 0.33 -0.75 4.34 4.01 2j08A1 ARG 336 HB2 0.16 -0.06 0.05 -0.04 1.90 2.01 2j08A1 ARG 336 HB3 -0.03 0.17 0.17 -0.04 1.80 2.06 2j08A1 ARG 336 HG2 0.10 0.11 -0.31 -0.04 1.67 1.53 2j08A1 ARG 336 HG3 0.12 -0.23 -0.08 -0.04 1.67 1.44 2j08A1 ARG 336 HD2 0.10 -0.16 -0.26 -0.04 3.22 2.86 2j08A1 ARG 336 HD3 0.07 0.02 -0.10 -0.04 3.22 3.16 2j08A1 HIS 337 H -0.05 0.43 -0.10 -0.55 8.41 8.15 2j08A1 HIS 337 HA 0.04 0.00 0.55 -0.75 4.63 4.47 2j08A1 HIS 337 HB2 0.08 0.16 0.09 -0.04 3.26 3.56 2j08A1 HIS 337 HB3 0.06 -0.08 0.05 -0.04 3.20 3.18 2j08A1 HIS 337 HD2 0.05 -0.00 -0.05 -0.04 6.97 6.92 2j08A1 HIS 337 HE1 0.00 -0.02 -0.02 -0.04 7.75 7.67 2j08A1 LEU 338 H 0.02 0.37 -0.47 -0.55 8.37 7.74 2j08A1 LEU 338 HA -0.06 0.13 0.89 -0.75 4.35 4.56 2j08A1 LEU 338 HB2 -0.28 0.09 0.06 -0.04 1.64 1.47 2j08A1 LEU 338 HB3 -0.33 -0.01 -0.02 -0.04 1.64 1.24 2j08A1 LEU 338 HG -0.02 0.07 -0.05 -0.04 1.64 1.59 2j08A1 LEU 338 HD13 -0.84 -0.02 -0.07 -0.04 0.93 -0.04 2j08A1 LEU 338 HD23 -0.16 0.01 0.00 -0.04 0.89 0.70 2j08A1 LEU 339 H -0.03 0.40 -0.22 -0.55 8.37 7.98 2j08A1 LEU 339 HA -0.13 0.21 0.48 -0.75 4.35 4.16 2j08A1 LEU 339 HB2 0.00 0.14 0.24 -0.04 1.64 1.99 2j08A1 LEU 339 HB3 -0.02 -0.25 -0.09 -0.04 1.64 1.25 2j08A1 LEU 339 HG -0.37 0.21 -0.07 -0.04 1.64 1.36 2j08A1 LEU 339 HD13 0.07 -0.05 -0.10 -0.04 0.93 0.80 2j08A1 LEU 339 HD23 -0.20 0.00 -0.15 -0.04 0.89 0.50 2j08A1 LEU 340 H -0.10 0.54 0.34 -0.55 8.37 8.61 2j08A1 LEU 340 HA -0.05 0.09 0.49 -0.75 4.35 4.13 2j08A1 LEU 340 HB2 -0.40 -0.07 0.02 -0.04 1.64 1.15 2j08A1 LEU 340 HB3 -0.85 -0.03 0.09 -0.04 1.64 0.82 2j08A1 LEU 340 HG -0.23 0.08 0.18 -0.04 1.64 1.64 2j08A1 LEU 340 HD13 -0.63 0.00 0.05 -0.04 0.93 0.31 2j08A1 LEU 340 HD23 -0.17 -0.01 -0.01 -0.04 0.89 0.66 2j08A1 ASP 341 H 0.01 0.10 -0.33 -0.55 8.40 7.63 2j08A1 ASP 341 HA 0.18 0.22 0.65 -0.75 4.63 4.92 2j08A1 ASP 341 HB2 0.18 -0.01 -0.13 -0.04 2.71 2.70 2j08A1 ASP 341 HB3 0.12 -0.07 -0.34 -0.04 2.70 2.37 2j08A1 GLY 342 H 0.09 0.40 -0.55 -0.55 8.43 7.83 2j08A1 GLY 342 HA2 0.12 -0.12 0.34 -0.51 4.01 3.85 2j08A1 GLY 342 HA3 0.12 0.28 0.37 -0.51 4.01 4.26 2j08A1 ASP 343 H 0.16 0.14 0.06 -0.55 8.40 8.21 2j08A1 ASP 343 HA 0.17 0.19 0.80 -0.75 4.63 5.03 2j08A1 ASP 343 HB2 0.19 0.32 -0.12 -0.04 2.71 3.07 2j08A1 ASP 343 HB3 0.16 -0.14 0.17 -0.04 2.70 2.85 2j08A1 ARG 344 H 0.14 0.26 0.09 -0.55 8.46 8.41 2j08A1 ARG 344 HA 0.12 0.10 0.33 -0.75 4.34 4.13 2j08A1 ARG 344 HB2 0.11 0.06 0.16 -0.04 1.90 2.19 2j08A1 ARG 344 HB3 0.13 -0.04 0.11 -0.04 1.80 1.95 2j08A1 ARG 344 HG2 0.09 0.02 -0.04 -0.04 1.67 1.70 2j08A1 ARG 344 HG3 0.07 0.04 0.03 -0.04 1.67 1.77 2j08A1 ARG 344 HD2 0.06 0.04 0.02 -0.04 3.22 3.31 2j08A1 ARG 344 HD3 0.09 -0.05 0.03 -0.04 3.22 3.24 2j08A1 ALA 345 H 0.19 0.12 -0.07 -0.55 8.40 8.09 2j08A1 ALA 345 HA 0.09 0.11 0.40 -0.75 4.34 4.19 2j08A1 ALA 345 HB3 0.20 0.06 -0.00 -0.04 1.41 1.62 2j08A1 VAL 346 H 0.10 0.20 -0.30 -0.55 8.24 7.69 2j08A1 VAL 346 HA -0.03 0.05 0.08 -0.75 4.13 3.47 2j08A1 VAL 346 HB 0.09 0.08 0.12 -0.04 2.12 2.37 2j08A1 VAL 346 HG13 0.02 0.00 -0.08 -0.04 0.97 0.87 2j08A1 VAL 346 HG23 -0.09 0.00 0.03 -0.04 0.95 0.84 2j08A1 ASN 347 H 0.15 0.62 0.06 -0.55 8.53 8.82 2j08A1 ASN 347 HA 0.25 0.01 0.50 -0.75 4.76 4.77 2j08A1 ASN 347 HB2 0.25 -0.10 0.11 -0.04 2.88 3.10 2j08A1 ASN 347 HB3 0.22 0.13 0.09 -0.04 2.79 3.19 2j08A1 ASN 347 HD21 1.06 0.05 -0.03 -0.04 7.03 8.07 2j08A1 ASN 347 HD22 0.60 -0.04 0.01 -0.04 7.74 8.26 2j08A1 LEU 348 H 0.16 0.48 -0.35 -0.55 8.37 8.11 2j08A1 LEU 348 HA 0.28 -0.00 0.25 -0.75 4.35 4.12 2j08A1 LEU 348 HB2 0.13 0.21 0.15 -0.04 1.64 2.09 2j08A1 LEU 348 HB3 0.09 0.04 0.03 -0.04 1.64 1.76 2j08A1 LEU 348 HG 0.11 0.04 -0.15 -0.04 1.64 1.59 2j08A1 LEU 348 HD13 0.34 -0.01 -0.04 -0.04 0.93 1.19 2j08A1 LEU 348 HD23 0.12 -0.02 -0.08 -0.04 0.89 0.87 2j08A1 GLN 349 H 0.08 0.65 0.01 -0.55 8.47 8.66 2j08A1 GLN 349 HA 0.05 -0.01 0.41 -0.75 4.36 4.06 2j08A1 GLN 349 HB2 -0.03 0.02 0.16 -0.04 2.15 2.26 2j08A1 GLN 349 HB3 0.03 0.08 0.24 -0.04 2.02 2.32 2j08A1 GLN 349 HG2 0.19 -0.08 0.02 -0.04 2.40 2.48 2j08A1 GLN 349 HG3 0.13 -0.01 0.01 -0.04 2.39 2.49 2j08A1 GLN 349 HE21 -0.01 -0.06 -0.03 -0.04 6.97 6.82 2j08A1 GLN 349 HE22 0.07 -0.01 0.06 -0.04 7.69 7.77 2j08A1 GLY 350 H 0.08 0.67 -0.10 -0.55 8.43 8.54 2j08A1 GLY 350 HA2 0.02 -0.07 0.26 -0.51 4.01 3.71 2j08A1 GLY 350 HA3 -0.03 0.06 0.26 -0.51 4.01 3.80 2j08A1 TRP 351 H 0.25 0.64 -0.11 -0.55 7.97 8.20 2j08A1 TRP 351 HA -0.05 -0.01 0.47 -0.75 4.62 4.28 2j08A1 TRP 351 HB2 0.05 0.10 0.15 -0.04 3.23 3.48 2j08A1 TRP 351 HB3 -0.01 -0.04 -0.01 -0.04 3.23 3.13 2j08A1 TRP 351 HD1 0.08 0.29 0.01 -0.04 7.22 7.56 2j08A1 TRP 351 HE1 -0.09 -0.00 -0.02 -0.04 10.20 10.04 2j08A1 TRP 351 HE3 -0.10 -0.01 -0.02 -0.04 7.59 7.42 2j08A1 TRP 351 HZ2 -0.55 0.03 -0.10 -0.04 7.44 6.78 2j08A1 TRP 351 HZ3 -0.29 0.02 -0.01 -0.04 7.13 6.82 2j08A1 TRP 351 HH2 -0.32 0.00 -0.07 -0.04 7.19 6.75 2j08A1 GLN 352 H 0.09 0.84 -0.04 -0.55 8.47 8.81 2j08A1 GLN 352 HA -0.19 0.05 0.25 -0.75 4.36 3.73 2j08A1 GLN 352 HB2 -0.04 0.08 0.05 -0.04 2.15 2.20 2j08A1 GLN 352 HB3 -0.17 -0.20 -0.06 -0.04 2.02 1.55 2j08A1 GLN 352 HG2 -0.39 -0.06 -0.10 -0.04 2.40 1.80 2j08A1 GLN 352 HG3 -0.11 0.16 -0.06 -0.04 2.39 2.34 2j08A1 GLN 352 HE21 -0.42 0.11 -0.33 -0.04 6.97 6.29 2j08A1 GLN 352 HE22 -0.68 0.03 -0.14 -0.04 7.69 6.85 2j08A1 TRP 353 H 0.19 0.48 -0.27 -0.55 7.97 7.82 2j08A1 TRP 353 HA -0.08 0.03 0.58 -0.75 4.62 4.39 2j08A1 TRP 353 HB2 0.01 -0.02 0.04 -0.04 3.23 3.22 2j08A1 TRP 353 HB3 -0.13 0.03 0.17 -0.04 3.23 3.27 2j08A1 TRP 353 HD1 0.09 0.03 -0.11 -0.04 7.22 7.20 2j08A1 TRP 353 HE1 -0.01 0.01 -0.05 -0.04 10.20 10.10 2j08A1 TRP 353 HE3 -0.18 0.02 0.02 -0.04 7.59 7.40 2j08A1 TRP 353 HZ2 -0.11 -0.01 -0.05 -0.04 7.44 7.23 2j08A1 TRP 353 HZ3 -0.06 -0.06 -0.02 -0.04 7.13 6.95 2j08A1 TRP 353 HH2 -0.06 -0.04 -0.05 -0.04 7.19 7.00 2j08A1 ALA 354 H 0.19 0.60 0.13 -0.55 8.40 8.77 2j08A1 ALA 354 HA -0.50 -0.02 0.29 -0.75 4.34 3.35 2j08A1 ALA 354 HB3 -0.15 -0.01 0.14 -0.04 1.41 1.35 2j08A1 GLY 355 H -0.21 0.55 -0.29 -0.55 8.43 7.94 2j08A1 GLY 355 HA2 -0.24 0.00 0.32 -0.51 4.01 3.58 2j08A1 GLY 355 HA3 -0.17 0.01 0.25 -0.51 4.01 3.58 2j08A1 GLY 356 H -0.36 0.38 -0.39 -0.55 8.43 7.52 2j08A1 GLY 356 HA2 -0.39 0.08 0.21 -0.51 4.01 3.39 2j08A1 GLY 356 HA3 -0.30 0.09 0.35 -0.51 4.01 3.64 2j08A1 LEU 357 H -0.29 0.45 0.18 -0.55 8.37 8.16 2j08A1 LEU 357 HA -0.57 0.25 0.84 -0.75 4.35 4.12 2j08A1 LEU 357 HB2 -0.36 -0.09 0.04 -0.04 1.64 1.18 2j08A1 LEU 357 HB3 -0.27 -0.05 0.15 -0.04 1.64 1.43 2j08A1 LEU 357 HG -0.28 0.08 -0.66 -0.04 1.64 0.73 2j08A1 LEU 357 HD13 -0.66 -0.03 -0.14 -0.04 0.93 0.07 2j08A1 LEU 357 HD23 -0.00 0.03 -0.09 -0.04 0.89 0.80 2j08A1 GLY 358 H -0.18 0.24 0.17 -0.55 8.43 8.11 2j08A1 GLY 358 HA2 -0.11 0.10 -0.02 -0.51 4.01 3.47 2j08A1 GLY 358 HA3 -0.08 0.14 0.22 -0.51 4.01 3.78 2j08A1 VAL 359 H -0.02 0.11 -0.08 -0.55 8.24 7.70 2j08A1 VAL 359 HA 0.08 0.14 0.71 -0.75 4.13 4.31 2j08A1 VAL 359 HB 0.31 -0.02 -0.06 -0.04 2.12 2.31 2j08A1 VAL 359 HG13 0.45 0.00 -0.11 -0.04 0.97 1.27 2j08A1 VAL 359 HG23 0.03 0.02 0.01 -0.04 0.95 0.97 2j08A1 ASP 360 H 0.20 0.46 0.33 -0.55 8.40 8.85 2j08A1 ASP 360 HA 0.21 0.07 0.49 -0.75 4.63 4.64 2j08A1 ASP 360 HB2 0.47 -0.01 -0.09 -0.04 2.71 3.04 2j08A1 ASP 360 HB3 0.58 0.13 -0.29 -0.04 2.70 3.07 2j08A1 ALA 361 H 0.07 0.27 -0.73 -0.55 8.40 7.46 2j08A1 ALA 361 HA 0.01 0.03 0.13 -0.75 4.34 3.76 2j08A1 ALA 361 HB3 0.06 0.01 -0.20 -0.04 1.41 1.24 2j08A1 ALA 362 H 0.04 0.45 -0.47 -0.55 8.40 7.87 2j08A1 ALA 362 HA -0.13 0.04 0.51 -0.75 4.34 4.01 2j08A1 ALA 362 HB3 -0.47 -0.02 0.07 -0.04 1.41 0.96 2j08A1 PRO 363 HA -0.35 0.09 0.31 -0.51 4.44 3.98 2j08A1 PRO 363 HB2 -2.83 -0.18 0.07 -0.04 2.28 -0.70 2j08A1 PRO 363 HB3 -0.75 0.06 0.11 -0.04 2.02 1.41 2j08A1 PRO 363 HG2 -0.65 -0.04 0.08 -0.04 2.03 1.38 2j08A1 PRO 363 HG3 -0.23 0.09 0.12 -0.04 2.03 1.97 2j08A1 PRO 363 HD2 -0.48 0.04 0.18 -0.04 3.68 3.38 2j08A1 PRO 363 HD3 -0.22 0.12 0.28 -0.04 3.65 3.78 2j08A1 TYR 364 H -0.03 0.15 0.14 -0.55 8.29 8.00 2j08A1 TYR 364 HA -0.16 0.20 0.57 -0.75 4.56 4.42 2j08A1 TYR 364 HB2 0.22 0.06 0.04 -0.04 3.06 3.34 2j08A1 TYR 364 HB3 0.09 0.07 0.14 -0.04 2.98 3.24 2j08A1 TYR 364 HD2 0.12 0.02 -0.11 -0.04 7.15 7.13 2j08A1 TYR 364 HE2 0.15 0.02 -0.04 -0.04 6.85 6.93 2j08A1 PHE 365 H -1.47 0.01 -0.25 -0.55 8.34 6.08 2j08A1 PHE 365 HA -0.18 0.08 -0.10 -0.75 4.62 3.67 2j08A1 PHE 365 HB2 -0.22 -0.03 0.03 -0.04 3.15 2.89 2j08A1 PHE 365 HB3 -0.60 0.01 0.04 -0.04 3.06 2.48 2j08A1 PHE 365 HD2 -0.45 0.02 -0.15 -0.04 7.28 6.65 2j08A1 PHE 365 HE2 -0.13 0.01 -0.01 -0.04 7.38 7.21 2j08A1 PHE 365 HZ -0.09 0.01 0.02 -0.04 7.32 7.22 2j08A1 ARG 366 H -0.57 0.25 -0.61 -0.55 8.46 6.98 2j08A1 ARG 366 HA -0.06 -0.05 0.33 -0.75 4.34 3.81 2j08A1 ARG 366 HB2 -0.26 -0.07 0.03 -0.04 1.90 1.56 2j08A1 ARG 366 HB3 -0.50 0.19 0.10 -0.04 1.80 1.56 2j08A1 ARG 366 HG2 -0.33 -0.03 -0.06 -0.04 1.67 1.21 2j08A1 ARG 366 HG3 -0.67 -0.03 -0.22 -0.04 1.67 0.71 2j08A1 ARG 366 HD2 -0.17 0.01 -0.26 -0.04 3.22 2.77 2j08A1 ARG 366 HD3 -0.05 -0.01 -0.07 -0.04 3.22 3.05 2j08A1 VAL 367 H -0.10 0.21 0.25 -0.55 8.24 8.05 2j08A1 VAL 367 HA -0.39 0.25 1.02 -0.75 4.13 4.26 2j08A1 VAL 367 HB -0.07 -0.11 0.10 -0.04 2.12 2.00 2j08A1 VAL 367 HG13 -0.22 0.03 -0.17 -0.04 0.97 0.57 2j08A1 VAL 367 HG23 -0.14 0.09 -0.13 -0.04 0.95 0.72 2j08A1 PHE 368 H -0.56 0.24 -0.01 -0.55 8.34 7.46 2j08A1 PHE 368 HA 0.01 -0.00 0.41 -0.75 4.62 4.29 2j08A1 PHE 368 HB2 0.07 0.02 0.08 -0.04 3.15 3.28 2j08A1 PHE 368 HB3 0.04 -0.06 -0.05 -0.04 3.06 2.95 2j08A1 PHE 368 HD2 -0.02 -0.02 -0.04 -0.04 7.28 7.16 2j08A1 PHE 368 HE2 -0.09 0.06 -0.13 -0.04 7.38 7.18 2j08A1 PHE 368 HZ -0.04 -0.02 -0.07 -0.04 7.32 7.15 2j08A1 ASN 369 H 0.15 0.20 0.26 -0.55 8.53 8.60 2j08A1 ASN 369 HA 0.16 0.20 0.63 -0.75 4.76 5.00 2j08A1 ASN 369 HB2 0.09 0.13 0.17 -0.04 2.88 3.23 2j08A1 ASN 369 HB3 0.08 -0.02 0.21 -0.04 2.79 3.02 2j08A1 ASN 369 HD21 0.04 -0.01 0.03 -0.04 7.03 7.05 2j08A1 ASN 369 HD22 0.05 0.12 0.05 -0.04 7.74 7.91 2j08A1 PRO 370 HA 0.08 0.09 -0.09 -0.51 4.44 4.01 2j08A1 PRO 370 HB2 0.05 0.04 -0.06 -0.04 2.28 2.27 2j08A1 PRO 370 HB3 0.08 0.05 -0.00 -0.04 2.02 2.10 2j08A1 PRO 370 HG2 0.06 0.03 0.06 -0.04 2.03 2.14 2j08A1 PRO 370 HG3 0.12 0.19 0.02 -0.04 2.03 2.33 2j08A1 PRO 370 HD2 0.09 0.00 0.12 -0.04 3.68 3.85 2j08A1 PRO 370 HD3 0.15 0.25 0.20 -0.04 3.65 4.21 2j08A1 VAL 371 H 0.06 0.12 -0.04 -0.55 8.24 7.83 2j08A1 VAL 371 HA 0.07 0.14 0.80 -0.75 4.13 4.39 2j08A1 VAL 371 HB 0.10 0.22 -0.13 -0.04 2.12 2.28 2j08A1 VAL 371 HG13 0.06 -0.01 0.08 -0.04 0.97 1.06 2j08A1 VAL 371 HG23 0.05 -0.03 -0.17 -0.04 0.95 0.76 2j08A1 LEU 372 H 0.02 0.11 -0.03 -0.55 8.37 7.92 2j08A1 LEU 372 HA -0.04 0.05 0.50 -0.75 4.35 4.11 2j08A1 LEU 372 HB2 0.03 -0.08 0.10 -0.04 1.64 1.66 2j08A1 LEU 372 HB3 0.02 0.12 0.04 -0.04 1.64 1.78 2j08A1 LEU 372 HG 0.02 0.02 0.05 -0.04 1.64 1.69 2j08A1 LEU 372 HD13 -0.00 0.01 -0.02 -0.04 0.93 0.88 2j08A1 LEU 372 HD23 -0.01 -0.01 0.06 -0.04 0.89 0.89 2j08A1 GLN 373 H -0.02 0.56 -0.22 -0.55 8.47 8.25 2j08A1 GLN 373 HA -0.03 0.03 0.21 -0.75 4.36 3.81 2j08A1 GLN 373 HB2 -0.06 0.04 -0.02 -0.04 2.15 2.07 2j08A1 GLN 373 HB3 -0.14 0.01 -0.07 -0.04 2.02 1.78 2j08A1 GLN 373 HG2 0.09 0.05 -0.05 -0.04 2.40 2.45 2j08A1 GLN 373 HG3 -0.18 -0.01 -0.08 -0.04 2.39 2.07 2j08A1 GLN 373 HE21 0.18 0.03 -0.05 -0.04 6.97 7.10 2j08A1 GLN 373 HE22 0.30 -0.05 -0.02 -0.04 7.69 7.88 2j08A1 GLY 374 H -0.28 0.25 -0.45 -0.55 8.43 7.40 2j08A1 GLY 374 HA2 -0.76 -0.00 0.42 -0.51 4.01 3.15 2j08A1 GLY 374 HA3 -1.73 -0.00 0.31 -0.51 4.01 2.07 2j08A1 GLU 375 H -0.24 0.55 -0.01 -0.55 8.60 8.36 2j08A1 GLU 375 HA -0.09 0.07 0.59 -0.75 4.29 4.11 2j08A1 GLU 375 HB2 -0.08 0.03 0.12 -0.04 2.09 2.12 2j08A1 GLU 375 HB3 -0.04 0.01 -0.00 -0.04 1.99 1.91 2j08A1 GLU 375 HG2 0.04 0.02 -0.00 -0.04 2.34 2.35 2j08A1 GLU 375 HG3 0.00 -0.03 -0.07 -0.04 2.34 2.20 2j08A1 ARG 376 H -0.21 0.54 -0.03 -0.55 8.46 8.20 2j08A1 ARG 376 HA -0.23 0.10 0.66 -0.75 4.34 4.12 2j08A1 ARG 376 HB2 -0.24 -0.01 0.07 -0.04 1.90 1.68 2j08A1 ARG 376 HB3 -0.72 0.03 -0.00 -0.04 1.80 1.07 2j08A1 ARG 376 HG2 -0.31 0.01 0.11 -0.04 1.67 1.43 2j08A1 ARG 376 HG3 -0.17 -0.02 0.05 -0.04 1.67 1.50 2j08A1 ARG 376 HD2 -0.09 -0.01 0.01 -0.04 3.22 3.09 2j08A1 ARG 376 HD3 -0.09 -0.02 -0.00 -0.04 3.22 3.06 2j08A1 HIS 377 H -0.20 0.24 -0.42 -0.55 8.41 7.48 2j08A1 HIS 377 HA -0.10 0.26 1.05 -0.75 4.63 5.08 2j08A1 HIS 377 HB2 -0.22 0.10 0.08 -0.04 3.26 3.18 2j08A1 HIS 377 HB3 -0.19 -0.07 0.23 -0.04 3.20 3.12 2j08A1 HIS 377 HD2 -0.17 0.02 -0.00 -0.04 6.97 6.78 2j08A1 HIS 377 HE1 -0.07 -0.03 -0.06 -0.04 7.75 7.54 2j08A1 ASP 378 H -0.04 0.28 -0.15 -0.55 8.40 7.94 2j08A1 ASP 378 HA 0.06 0.03 0.62 -0.75 4.63 4.59 2j08A1 ASP 378 HB2 0.13 0.04 -0.17 -0.04 2.71 2.67 2j08A1 ASP 378 HB3 0.23 0.25 0.13 -0.04 2.70 3.27 2j08A1 PRO 379 HA 0.02 0.22 0.01 -0.51 4.44 4.17 2j08A1 PRO 379 HB2 0.02 0.01 0.11 -0.04 2.28 2.38 2j08A1 PRO 379 HB3 0.00 0.10 0.09 -0.04 2.02 2.17 2j08A1 PRO 379 HG2 0.02 0.06 0.06 -0.04 2.03 2.12 2j08A1 PRO 379 HG3 -0.00 0.13 0.03 -0.04 2.03 2.15 2j08A1 PRO 379 HD2 0.05 0.05 -0.00 -0.04 3.68 3.74 2j08A1 PRO 379 HD3 0.03 0.12 0.00 -0.04 3.65 3.76 2j08A1 GLU 380 H 0.07 0.03 0.20 -0.55 8.60 8.35 2j08A1 GLU 380 HA 0.07 0.28 0.98 -0.75 4.29 4.86 2j08A1 GLU 380 HB2 0.04 0.01 0.26 -0.04 2.09 2.36 2j08A1 GLU 380 HB3 0.04 0.07 0.11 -0.04 1.99 2.17 2j08A1 GLU 380 HG2 0.03 0.04 0.01 -0.04 2.34 2.39 2j08A1 GLU 380 HG3 0.04 -0.10 0.01 -0.04 2.34 2.25 2j08A1 GLY 381 H 0.16 0.74 0.12 -0.55 8.43 8.91 2j08A1 GLY 381 HA2 0.18 -0.00 0.34 -0.51 4.01 4.02 2j08A1 GLY 381 HA3 0.09 0.21 0.30 -0.51 4.01 4.09 2j08A1 ARG 382 H 0.13 0.07 -0.35 -0.55 8.46 7.76 2j08A1 ARG 382 HA 0.06 0.15 0.08 -0.75 4.34 3.88 2j08A1 ARG 382 HB2 0.13 -0.08 0.06 -0.04 1.90 1.97 2j08A1 ARG 382 HB3 0.09 0.06 0.04 -0.04 1.80 1.95 2j08A1 ARG 382 HG2 0.05 0.09 -0.02 -0.04 1.67 1.75 2j08A1 ARG 382 HG3 0.07 -0.06 -0.02 -0.04 1.67 1.61 2j08A1 ARG 382 HD2 0.03 0.04 -0.00 -0.04 3.22 3.24 2j08A1 ARG 382 HD3 0.04 -0.00 -0.00 -0.04 3.22 3.21 2j08A1 TRP 383 H 0.36 -0.01 -0.41 -0.55 7.97 7.36 2j08A1 TRP 383 HA 0.15 0.12 0.04 -0.75 4.62 4.19 2j08A1 TRP 383 HB2 0.16 -0.07 0.02 -0.04 3.23 3.30 2j08A1 TRP 383 HB3 0.20 -0.04 0.01 -0.04 3.23 3.36 2j08A1 TRP 383 HD1 0.34 0.01 -0.02 -0.04 7.22 7.51 2j08A1 TRP 383 HE1 0.04 0.07 -0.01 -0.04 10.20 10.25 2j08A1 TRP 383 HE3 0.26 -0.05 -0.16 -0.04 7.59 7.61 2j08A1 TRP 383 HZ2 -0.21 0.03 -0.09 -0.04 7.44 7.14 2j08A1 TRP 383 HZ3 0.15 -0.01 -0.02 -0.04 7.13 7.22 2j08A1 TRP 383 HH2 -0.04 0.01 -0.02 -0.04 7.19 7.10 2j08A1 LEU 384 H 0.36 0.01 -0.12 -0.55 8.37 8.08 2j08A1 LEU 384 HA -0.14 0.03 0.34 -0.75 4.35 3.83 2j08A1 LEU 384 HB2 -0.14 -0.09 0.01 -0.04 1.64 1.38 2j08A1 LEU 384 HB3 -0.08 0.11 -0.03 -0.04 1.64 1.60 2j08A1 LEU 384 HG -0.14 0.16 -0.29 -0.04 1.64 1.33 2j08A1 LEU 384 HD13 -0.23 -0.03 -0.10 -0.04 0.93 0.53 2j08A1 LEU 384 HD23 -0.64 0.01 -0.33 -0.04 0.89 -0.10 2j08A1 LYS 385 H -0.01 0.41 -0.45 -0.55 8.42 7.81 2j08A1 LYS 385 HA -0.10 0.09 0.54 -0.75 4.32 4.10 2j08A1 LYS 385 HB2 -0.04 -0.00 0.02 -0.04 1.87 1.80 2j08A1 LYS 385 HB3 -0.03 0.10 0.02 -0.04 1.79 1.85 2j08A1 LYS 385 HG2 -0.10 0.04 -0.32 -0.04 1.46 1.04 2j08A1 LYS 385 HG3 -0.08 -0.02 0.03 -0.04 1.46 1.35 2j08A1 LYS 385 HD2 -0.03 -0.01 -0.03 -0.04 1.69 1.58 2j08A1 LYS 385 HD3 -0.04 -0.02 -0.05 -0.04 1.68 1.53 2j08A1 LYS 385 HE2 -0.06 0.01 -0.02 -0.04 2.99 2.88 2j08A1 LYS 385 HE3 -0.04 -0.02 -0.01 -0.04 2.99 2.87 2j08A1 ARG 386 H -0.18 0.32 -0.11 -0.55 8.46 7.93 2j08A1 ARG 386 HA -0.40 0.07 0.58 -0.75 4.34 3.84 2j08A1 ARG 386 HB2 -0.28 0.04 0.17 -0.04 1.90 1.79 2j08A1 ARG 386 HB3 -1.19 0.00 -0.00 -0.04 1.80 0.57 2j08A1 ARG 386 HG2 -0.36 0.00 0.08 -0.04 1.67 1.35 2j08A1 ARG 386 HG3 -0.22 -0.07 0.02 -0.04 1.67 1.37 2j08A1 ARG 386 HD2 -0.33 -0.04 0.01 -0.04 3.22 2.83 2j08A1 ARG 386 HD3 -0.63 -0.01 -0.01 -0.04 3.22 2.53 2j08A1 TRP 387 H -0.30 0.10 -0.27 -0.55 7.97 6.95 2j08A1 TRP 387 HA -0.22 0.32 1.03 -0.75 4.62 4.98 2j08A1 TRP 387 HB2 -0.77 -0.11 -0.00 -0.04 3.23 2.31 2j08A1 TRP 387 HB3 -0.38 0.06 0.12 -0.04 3.23 2.99 2j08A1 TRP 387 HD1 -1.44 0.02 -0.05 -0.04 7.22 5.70 2j08A1 TRP 387 HE1 -0.00 -0.07 -0.03 -0.04 10.20 10.05 2j08A1 TRP 387 HE3 -0.15 0.01 -0.06 -0.04 7.59 7.35 2j08A1 TRP 387 HZ2 0.04 -0.04 -0.02 -0.04 7.44 7.38 2j08A1 TRP 387 HZ3 -0.06 0.03 0.03 -0.04 7.13 7.09 2j08A1 TRP 387 HH2 -0.02 0.02 -0.00 -0.04 7.19 7.15 2j08A1 ALA 388 H -0.12 0.36 -0.04 -0.55 8.40 8.05 2j08A1 ALA 388 HA -0.07 0.12 0.27 -0.75 4.34 3.91 2j08A1 ALA 388 HB3 0.05 0.02 0.08 -0.04 1.41 1.52 2j08A1 PRO 389 HA -0.08 0.18 0.30 -0.51 4.44 4.33 2j08A1 PRO 389 HB2 -0.09 -0.03 0.09 -0.04 2.28 2.21 2j08A1 PRO 389 HB3 -0.10 0.10 0.19 -0.04 2.02 2.16 2j08A1 PRO 389 HG2 -0.11 -0.03 -0.04 -0.04 2.03 1.80 2j08A1 PRO 389 HG3 -0.13 0.10 0.03 -0.04 2.03 2.00 2j08A1 PRO 389 HD2 -0.12 0.09 -0.07 -0.04 3.68 3.54 2j08A1 PRO 389 HD3 -0.16 0.20 -0.18 -0.04 3.65 3.48 2j08A1 GLU 390 H -0.20 0.05 -0.71 -0.55 8.60 7.19 2j08A1 GLU 390 HA -0.21 -0.00 0.41 -0.75 4.29 3.73 2j08A1 GLU 390 HB2 -0.49 -0.01 -0.05 -0.04 2.09 1.51 2j08A1 GLU 390 HB3 -1.08 0.00 -0.30 -0.04 1.99 0.57 2j08A1 GLU 390 HG2 -0.32 -0.02 -0.02 -0.04 2.34 1.94 2j08A1 GLU 390 HG3 -0.23 -0.01 0.00 -0.04 2.34 2.06 2j08A1 TYR 391 H -0.13 0.49 -0.18 -0.55 8.29 7.92 2j08A1 TYR 391 HA -0.05 0.16 0.79 -0.75 4.56 4.71 2j08A1 TYR 391 HB2 -0.12 0.02 0.09 -0.04 3.06 3.01 2j08A1 TYR 391 HB3 -0.09 0.15 0.11 -0.04 2.98 3.12 2j08A1 TYR 391 HD2 -0.06 0.09 0.03 -0.04 7.15 7.16 2j08A1 TYR 391 HE2 -0.04 0.05 -0.06 -0.04 6.85 6.76 2j08A1 PRO 392 HA -0.00 0.15 0.56 -0.51 4.44 4.63 2j08A1 PRO 392 HB2 0.02 -0.05 0.01 -0.04 2.28 2.22 2j08A1 PRO 392 HB3 0.01 0.03 0.09 -0.04 2.02 2.10 2j08A1 PRO 392 HG2 0.04 -0.02 0.07 -0.04 2.03 2.07 2j08A1 PRO 392 HG3 0.02 0.07 0.08 -0.04 2.03 2.16 2j08A1 PRO 392 HD2 0.11 0.09 0.26 -0.04 3.68 4.09 2j08A1 PRO 392 HD3 0.09 0.28 0.33 -0.04 3.65 4.31 2j08A1 SER 393 H 0.03 0.36 0.04 -0.55 8.46 8.34 2j08A1 SER 393 HA -0.05 0.12 0.27 -0.75 4.49 4.08 2j08A1 SER 393 HB2 0.08 -0.12 0.14 -0.04 3.95 4.01 2j08A1 SER 393 HB3 0.04 0.21 0.03 -0.04 3.93 4.17 2j08A1 TYR 394 H 0.14 0.16 0.07 -0.55 8.29 8.11 2j08A1 TYR 394 HA -0.03 0.09 0.49 -0.75 4.56 4.36 2j08A1 TYR 394 HB2 0.02 0.02 0.08 -0.04 3.06 3.14 2j08A1 TYR 394 HB3 0.01 -0.05 0.21 -0.04 2.98 3.11 2j08A1 TYR 394 HD2 0.05 -0.03 -0.02 -0.04 7.15 7.11 2j08A1 TYR 394 HE2 0.21 0.02 -0.04 -0.04 6.85 6.99 2j08A1 ALA 395 H 0.06 -0.01 -0.49 -0.55 8.40 7.42 2j08A1 ALA 395 HA 0.05 0.03 0.70 -0.75 4.34 4.36 2j08A1 ALA 395 HB3 0.04 0.01 0.06 -0.04 1.41 1.49 2j08A1 PRO 396 HA -0.11 0.24 0.69 -0.51 4.44 4.76 2j08A1 PRO 396 HB2 0.02 -0.01 -0.03 -0.04 2.28 2.23 2j08A1 PRO 396 HB3 -0.02 0.01 0.09 -0.04 2.02 2.06 2j08A1 PRO 396 HG2 0.03 -0.05 0.13 -0.04 2.03 2.10 2j08A1 PRO 396 HG3 0.01 0.01 0.14 -0.04 2.03 2.15 2j08A1 PRO 396 HD2 0.03 0.07 0.24 -0.04 3.68 3.98 2j08A1 PRO 396 HD3 0.04 0.11 0.39 -0.04 3.65 4.14 2j08A1 LYS 397 H 0.02 0.38 0.11 -0.55 8.42 8.38 2j08A1 LYS 397 HA 0.07 0.04 0.61 -0.75 4.32 4.28 2j08A1 LYS 397 HB2 0.18 0.07 -0.11 -0.04 1.87 1.96 2j08A1 LYS 397 HB3 0.31 0.01 0.16 -0.04 1.79 2.23 2j08A1 LYS 397 HG2 0.10 -0.00 -0.10 -0.04 1.46 1.42 2j08A1 LYS 397 HG3 0.08 -0.04 -0.04 -0.04 1.46 1.42 2j08A1 LYS 397 HD2 0.07 -0.04 0.00 -0.04 1.69 1.69 2j08A1 LYS 397 HD3 0.23 0.01 0.01 -0.04 1.68 1.89 2j08A1 LYS 397 HE2 -0.00 -0.07 -0.00 -0.04 2.99 2.88 2j08A1 LYS 397 HE3 -0.02 0.23 0.08 -0.04 2.99 3.24 2j08A1 ASP 398 H 0.06 0.09 0.15 -0.55 8.40 8.15 2j08A1 ASP 398 HA 0.05 0.00 0.29 -0.75 4.63 4.22 2j08A1 ASP 398 HB2 0.06 0.10 0.34 -0.04 2.71 3.16 2j08A1 ASP 398 HB3 0.05 -0.00 0.12 -0.04 2.70 2.82 2j08A1 PRO 399 HA 0.07 0.26 0.61 -0.51 4.44 4.87 2j08A1 PRO 399 HB2 0.08 0.41 0.10 -0.04 2.28 2.83 2j08A1 PRO 399 HB3 0.09 -0.08 0.03 -0.04 2.02 2.01 2j08A1 PRO 399 HG2 0.05 -0.03 0.02 -0.04 2.03 2.03 2j08A1 PRO 399 HG3 0.03 -0.05 -0.07 -0.04 2.03 1.90 2j08A1 PRO 399 HD2 0.06 0.08 0.09 -0.04 3.68 3.87 2j08A1 PRO 399 HD3 0.05 -0.02 -0.12 -0.04 3.65 3.52 2j08A1 VAL 400 H 0.11 0.55 0.30 -0.55 8.24 8.65 2j08A1 VAL 400 HA 0.09 0.08 0.34 -0.75 4.13 3.89 2j08A1 VAL 400 HB 0.12 -0.05 0.03 -0.04 2.12 2.18 2j08A1 VAL 400 HG13 0.10 0.02 0.05 -0.04 0.97 1.10 2j08A1 VAL 400 HG23 0.19 0.00 -0.03 -0.04 0.95 1.07 2j08A1 VAL 401 H 0.15 0.02 -0.19 -0.55 8.24 7.67 2j08A1 VAL 401 HA 0.09 0.15 0.00 -0.75 4.13 3.62 2j08A1 VAL 401 HB 0.10 0.01 0.10 -0.04 2.12 2.29 2j08A1 VAL 401 HG13 0.10 0.02 -0.01 -0.04 0.97 1.05 2j08A1 VAL 401 HG23 0.13 0.00 -0.17 -0.04 0.95 0.87 2j08A1 ASP 402 H 0.08 0.16 0.02 -0.55 8.40 8.11 2j08A1 ASP 402 HA 0.08 0.12 0.71 -0.75 4.63 4.79 2j08A1 ASP 402 HB2 0.06 0.12 0.13 -0.04 2.71 2.97 2j08A1 ASP 402 HB3 0.07 0.05 0.14 -0.04 2.70 2.91 2j08A1 LEU 403 H 0.08 0.19 0.07 -0.55 8.37 8.17 2j08A1 LEU 403 HA 0.15 0.17 0.26 -0.75 4.35 4.18 2j08A1 LEU 403 HB2 0.09 -0.03 0.19 -0.04 1.64 1.85 2j08A1 LEU 403 HB3 0.12 0.05 0.09 -0.04 1.64 1.85 2j08A1 LEU 403 HG 0.09 0.03 -0.06 -0.04 1.64 1.66 2j08A1 LEU 403 HD13 0.06 0.00 0.05 -0.04 0.93 1.01 2j08A1 LEU 403 HD23 -0.07 0.00 0.02 -0.04 0.89 0.80 2j08A1 GLU 404 H 0.09 0.12 0.01 -0.55 8.60 8.27 2j08A1 GLU 404 HA 0.09 0.12 0.39 -0.75 4.29 4.14 2j08A1 GLU 404 HB2 0.06 0.07 0.02 -0.04 2.09 2.20 2j08A1 GLU 404 HB3 0.07 0.04 0.10 -0.04 1.99 2.15 2j08A1 GLU 404 HG2 0.05 0.03 0.06 -0.04 2.34 2.45 2j08A1 GLU 404 HG3 0.06 -0.21 0.07 -0.04 2.34 2.22 2j08A1 GLU 405 H 0.07 0.03 -0.30 -0.55 8.60 7.86 2j08A1 GLU 405 HA 0.05 0.05 0.37 -0.75 4.29 4.01 2j08A1 GLU 405 HB2 0.06 -0.13 0.07 -0.04 2.09 2.05 2j08A1 GLU 405 HB3 0.06 0.13 -0.10 -0.04 1.99 2.04 2j08A1 GLU 405 HG2 0.04 0.06 0.05 -0.04 2.34 2.45 2j08A1 GLU 405 HG3 0.04 -0.02 0.06 -0.04 2.34 2.39 2j08A1 ALA 406 H 0.10 0.16 -0.79 -0.55 8.40 7.33 2j08A1 ALA 406 HA 0.08 0.08 0.40 -0.75 4.34 4.15 2j08A1 ALA 406 HB3 0.13 0.05 0.12 -0.04 1.41 1.67 2j08A1 ARG 407 H 0.11 0.80 0.30 -0.55 8.46 9.12 2j08A1 ARG 407 HA -0.14 0.11 0.66 -0.75 4.34 4.21 2j08A1 ARG 407 HB2 0.11 0.02 0.14 -0.04 1.90 2.12 2j08A1 ARG 407 HB3 0.06 -0.06 0.14 -0.04 1.80 1.90 2j08A1 ARG 407 HG2 -0.04 0.03 0.04 -0.04 1.67 1.66 2j08A1 ARG 407 HG3 -0.01 0.03 0.01 -0.04 1.67 1.65 2j08A1 ARG 407 HD2 0.04 0.02 -0.05 -0.04 3.22 3.19 2j08A1 ARG 407 HD3 0.04 0.00 -0.01 -0.04 3.22 3.22 2j08A1 ARG 408 H 0.06 0.79 -0.07 -0.55 8.46 8.69 2j08A1 ARG 408 HA 0.06 -0.03 0.12 -0.75 4.34 3.73 2j08A1 ARG 408 HB2 0.05 0.14 0.12 -0.04 1.90 2.17 2j08A1 ARG 408 HB3 0.04 -0.02 0.03 -0.04 1.80 1.81 2j08A1 ARG 408 HG2 0.04 -0.01 0.01 -0.04 1.67 1.67 2j08A1 ARG 408 HG3 0.04 -0.06 0.01 -0.04 1.67 1.62 2j08A1 ARG 408 HD2 0.03 -0.00 -0.01 -0.04 3.22 3.19 2j08A1 ARG 408 HD3 0.03 -0.05 -0.02 -0.04 3.22 3.14 2j08A1 ARG 409 H 0.06 0.18 -0.44 -0.55 8.46 7.71 2j08A1 ARG 409 HA 0.04 -0.07 0.26 -0.75 4.34 3.82 2j08A1 ARG 409 HB2 0.05 -0.01 0.20 -0.04 1.90 2.10 2j08A1 ARG 409 HB3 0.08 0.03 0.35 -0.04 1.80 2.22 2j08A1 ARG 409 HG2 0.12 0.10 -0.05 -0.04 1.67 1.79 2j08A1 ARG 409 HG3 0.04 -0.10 0.02 -0.04 1.67 1.59 2j08A1 ARG 409 HD2 0.07 0.01 0.00 -0.04 3.22 3.25 2j08A1 ARG 409 HD3 0.05 -0.07 0.03 -0.04 3.22 3.19 2j08A1 TYR 410 H 0.18 0.73 0.11 -0.55 8.29 8.76 2j08A1 TYR 410 HA 0.14 -0.03 0.28 -0.75 4.56 4.20 2j08A1 TYR 410 HB2 0.04 0.21 0.23 -0.04 3.06 3.50 2j08A1 TYR 410 HB3 -0.03 0.02 0.26 -0.04 2.98 3.18 2j08A1 TYR 410 HD2 0.10 -0.03 -0.06 -0.04 7.15 7.12 2j08A1 TYR 410 HE2 0.07 0.06 -0.10 -0.04 6.85 6.84 2j08A1 LEU 411 H 0.33 0.36 0.03 -0.55 8.37 8.54 2j08A1 LEU 411 HA 0.21 0.00 0.42 -0.75 4.35 4.23 2j08A1 LEU 411 HB2 0.11 0.12 0.01 -0.04 1.64 1.83 2j08A1 LEU 411 HB3 0.15 -0.08 0.01 -0.04 1.64 1.67 2j08A1 LEU 411 HG 0.17 0.15 0.02 -0.04 1.64 1.94 2j08A1 LEU 411 HD13 0.08 -0.04 -0.07 -0.04 0.93 0.86 2j08A1 LEU 411 HD23 0.24 0.00 -0.01 -0.04 0.89 1.08 2j08A1 ARG 412 H 0.02 0.51 -0.46 -0.55 8.46 7.97 2j08A1 ARG 412 HA -0.04 -0.03 0.34 -0.75 4.34 3.86 2j08A1 ARG 412 HB2 -0.00 0.18 0.15 -0.04 1.90 2.19 2j08A1 ARG 412 HB3 -0.04 0.09 0.22 -0.04 1.80 2.03 2j08A1 ARG 412 HG2 -0.06 -0.03 -0.07 -0.04 1.67 1.47 2j08A1 ARG 412 HG3 -0.03 -0.07 0.02 -0.04 1.67 1.55 2j08A1 ARG 412 HD2 -0.02 -0.06 -0.02 -0.04 3.22 3.08 2j08A1 ARG 412 HD3 -0.01 -0.04 -0.02 -0.04 3.22 3.12 2j08A1 LEU 413 H -0.10 0.55 0.23 -0.55 8.37 8.49 2j08A1 LEU 413 HA -0.27 -0.04 0.50 -0.75 4.35 3.78 2j08A1 LEU 413 HB2 -0.23 0.12 0.15 -0.04 1.64 1.64 2j08A1 LEU 413 HB3 -0.65 -0.03 0.11 -0.04 1.64 1.03 2j08A1 LEU 413 HG -0.11 0.03 0.15 -0.04 1.64 1.66 2j08A1 LEU 413 HD13 0.01 0.00 -0.05 -0.04 0.93 0.85 2j08A1 LEU 413 HD23 -0.23 -0.02 0.07 -0.04 0.89 0.67 2j08A1 ALA 414 H -0.25 0.59 -0.39 -0.55 8.40 7.80 2j08A1 ALA 414 HA -0.31 0.03 0.17 -0.75 4.34 3.48 2j08A1 ALA 414 HB3 -0.44 -0.01 0.00 -0.04 1.41 0.92 2j08A1 ARG 415 H -0.20 0.46 -0.10 -0.55 8.46 8.07 2j08A1 ARG 415 HA -0.44 -0.02 0.57 -0.75 4.34 3.70 2j08A1 ARG 415 HB2 -0.07 0.08 0.11 -0.04 1.90 1.99 2j08A1 ARG 415 HB3 -0.04 -0.07 -0.00 -0.04 1.80 1.64 2j08A1 ARG 415 HG2 0.24 -0.11 0.03 -0.04 1.67 1.79 2j08A1 ARG 415 HG3 0.12 0.44 0.15 -0.04 1.67 2.34 2j08A1 ARG 415 HD2 0.04 -0.01 -0.02 -0.04 3.22 3.19 2j08A1 ARG 415 HD3 0.12 -0.07 -0.00 -0.04 3.22 3.23 2j08A1 ASP 416 H -0.21 0.36 -0.16 -0.55 8.40 7.85 2j08A1 ASP 416 HA -0.14 0.00 0.54 -0.75 4.63 4.28 2j08A1 ASP 416 HB2 -0.25 0.17 0.22 -0.04 2.71 2.81 2j08A1 ASP 416 HB3 -0.18 -0.04 -0.01 -0.04 2.70 2.43 2j08A1 LEU 417 H -0.30 0.18 0.05 -0.55 8.37 7.76 2j08A1 LEU 417 HA -0.28 0.02 0.51 -0.75 4.35 3.85 2j08A1 LEU 417 HB2 -0.56 0.05 0.08 -0.04 1.64 1.16 2j08A1 LEU 417 HB3 -0.71 0.06 -0.05 -0.04 1.64 0.90 2j08A1 LEU 417 HG -0.54 0.12 0.10 -0.04 1.64 1.29 2j08A1 LEU 417 HD13 -0.46 0.03 -0.04 -0.04 0.93 0.42 2j08A1 LEU 417 HD23 -0.33 -0.00 0.11 -0.04 0.89 0.63 2j08A1 ALA 418 H -0.38 0.27 -0.49 -0.55 8.40 7.26 2j08A1 ALA 418 HA -0.18 -0.06 -0.09 -0.75 4.34 3.26 2j08A1 ALA 418 HB3 -0.34 -0.02 0.05 -0.04 1.41 1.06 2j08A1 ARG 419 H -0.15 0.33 -0.02 -0.55 8.46 8.06 2j08A1 ARG 419 HA -0.01 0.12 0.62 -0.75 4.34 4.33 2j08A1 GLY 420 H -0.09 0.44 -0.19 -0.55 8.43 8.04 2j08A1 GLY 420 HA2 -0.05 0.10 0.70 -0.51 4.01 4.25 2j08A1 GLY 420 HA3 -0.09 0.11 0.22 -0.51 4.01 3.75