============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 61 rings ring int. center anis. iso. TYR 2 0.840 -132.874 -7.845 -53.160 -99.200 -91.000 TYR 7 0.840 -128.739 -3.469 -56.884 -99.200 -91.000 HIS 19 0.900 -122.091 -22.007 -64.616 -99.200 -91.000 HIS 20 0.900 -121.226 -16.609 -57.990 -99.200 -91.000 PHE 21 1.000 -115.740 -19.504 -63.010 -99.200 -91.000 TYR 27 0.840 -110.614 -8.555 -44.635 -99.200 -91.000 TYR 45 0.840 -117.260 -22.805 -53.811 -99.200 -91.000 PHE 54 1.000 -104.735 -15.759 -66.231 -99.200 -91.000 TYR 59 0.840 -119.273 -18.469 -67.169 -99.200 -91.000 PHE 72 1.000 -108.252 -4.927 -48.890 -99.200 -91.000 TYR 87 0.840 -108.044 -2.106 -70.155 -99.200 -91.000 HIS 109 0.900 -109.461 -0.124 -35.088 -99.200 -91.000 HIS 112 0.900 -107.839 -10.145 -41.409 -99.200 -91.000 HIS 113 0.900 -105.794 -11.918 -45.217 -99.200 -91.000 TYR 120 0.840 -108.579 -0.374 -44.901 -99.200 -91.000 TYR 122 0.840 -102.817 -2.168 -49.853 -99.200 -91.000 HIS 141 0.900 -128.109 4.263 -46.874 -99.200 -91.000 HIS 149 0.900 -119.344 3.852 -63.315 -99.200 -91.000 TYR 162 0.840 -111.358 -3.459 -56.863 -99.200 -91.000 HIS 191 0.900 -128.517 6.907 -87.487 -99.200 -91.000 PHE 248 1.000 -111.806 -13.862 -83.103 -99.200 -91.000 PHE 249 1.000 -114.472 -15.205 -93.392 -99.200 -91.000 HIS 253 0.900 -116.821 -16.816 -97.283 -99.200 -91.000 PHE 256 1.000 -109.205 -18.864 -93.960 -99.200 -91.000 TYR 260 0.840 -100.099 -9.477 -93.249 -99.200 -91.000 TRP 261 1.040 -97.780 -13.461 -86.941 -99.200 -91.000 TRP6 261 1.020 -97.848 -15.376 -85.569 -99.200 -91.000 PHE 286 1.000 -102.258 -3.660 -87.693 -99.200 -91.000 TYR 289 0.840 -94.714 -11.528 -78.615 -99.200 -91.000 TRP 294 1.040 -92.256 -2.690 -83.694 -99.200 -91.000 TRP6 294 1.020 -94.511 -2.497 -83.029 -99.200 -91.000 TRP 297 1.040 -98.576 -1.210 -87.932 -99.200 -91.000 TRP6 297 1.020 -97.378 0.343 -86.617 -99.200 -91.000 TYR 318 0.840 -115.125 9.477 -92.472 -99.200 -91.000 PHE 321 1.000 -118.959 4.807 -87.604 -99.200 -91.000 PHE 326 1.000 -117.333 1.042 -91.845 -99.200 -91.000 HIS 368 0.900 -102.445 -38.964 -84.565 -99.200 -91.000 TRP 387 1.040 -99.582 -18.243 -78.694 -99.200 -91.000 TRP6 387 1.020 -98.176 -16.371 -78.382 -99.200 -91.000 PHE 388 1.000 -95.172 -19.483 -83.495 -99.200 -91.000 TRP 407 1.040 -102.048 -10.929 -69.121 -99.200 -91.000 TRP6 407 1.020 -101.507 -8.688 -68.608 -99.200 -91.000 HIS 409 0.900 -99.863 -15.708 -66.297 -99.200 -91.000 TRP 412 1.040 -105.591 -17.591 -70.971 -99.200 -91.000 TRP6 412 1.020 -105.738 -18.714 -73.047 -99.200 -91.000 PHE 418 1.000 -112.952 -25.026 -63.551 -99.200 -91.000 HIS 429 0.900 -114.942 -26.282 -73.882 -99.200 -91.000 PHE 438 1.000 -100.542 -29.582 -66.422 -99.200 -91.000 TYR 451 0.840 -117.012 -27.471 -59.635 -99.200 -91.000 PHE 458 1.000 -104.649 -33.881 -77.772 -99.200 -91.000 TYR 465 0.840 -89.781 -22.102 -69.079 -99.200 -91.000 HIS 472 0.900 -80.747 -14.665 -75.394 -99.200 -91.000 TYR 476 0.840 -82.005 -17.795 -69.480 -99.200 -91.000 TYR 478 0.840 -82.241 -26.281 -71.233 -99.200 -91.000 TRP 482 1.040 -93.578 -31.348 -62.435 -99.200 -91.000 TRP6 482 1.020 -95.501 -30.005 -62.171 -99.200 -91.000 TYR 484 0.840 -95.435 -32.617 -67.226 -99.200 -91.000 PHE 491 1.000 -104.264 -32.423 -59.755 -99.200 -91.000 HIS 497 0.900 -116.017 -41.016 -62.409 -99.200 -91.000 TRP 542 1.040 -93.553 -14.398 -84.216 -99.200 -91.000 TRP6 542 1.020 -93.115 -14.824 -81.935 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2vbiE1 THR 2 HA 0.06 -0.11 0.22 -0.75 4.39 3.82 2vbiE1 THR 2 HB 0.03 -0.03 0.04 -0.04 4.32 4.32 2vbiE1 THR 2 HG23 0.02 -0.01 0.06 -0.04 1.22 1.25 2vbiE1 TYR 3 H 0.16 0.09 0.10 -0.55 8.29 8.09 2vbiE1 TYR 3 HA 0.01 0.10 0.44 -0.75 4.56 4.35 2vbiE1 TYR 3 HB2 0.01 -0.00 0.04 -0.04 3.06 3.07 2vbiE1 TYR 3 HB3 0.02 0.08 0.14 -0.04 2.98 3.18 2vbiE1 TYR 3 HD2 0.04 0.07 -0.24 -0.04 7.15 6.97 2vbiE1 TYR 3 HE2 0.10 0.03 -0.09 -0.04 6.85 6.84 2vbiE1 THR 4 H -0.37 0.10 0.18 -0.55 8.28 7.64 2vbiE1 THR 4 HA -0.04 0.36 0.65 -0.75 4.39 4.61 2vbiE1 THR 4 HB -0.06 0.03 -0.02 -0.04 4.32 4.22 2vbiE1 THR 4 HG23 -0.05 0.06 -0.16 -0.04 1.22 1.03 2vbiE1 VAL 5 H -0.05 0.51 0.08 -0.55 8.24 8.23 2vbiE1 VAL 5 HA -0.03 0.07 0.40 -0.75 4.13 3.82 2vbiE1 VAL 5 HB -0.05 0.07 0.11 -0.04 2.12 2.20 2vbiE1 VAL 5 HG13 -0.05 -0.04 -0.18 -0.04 0.97 0.66 2vbiE1 VAL 5 HG23 -0.08 0.05 0.01 -0.04 0.95 0.88 2vbiE1 GLY 6 H -0.06 0.53 0.00 -0.55 8.43 8.36 2vbiE1 GLY 6 HA2 -0.03 0.00 0.34 -0.51 4.01 3.81 2vbiE1 GLY 6 HA3 -0.05 0.07 0.28 -0.51 4.01 3.79 2vbiE1 MET 7 H -0.19 0.12 -0.35 -0.55 8.47 7.50 2vbiE1 MET 7 HA -0.15 0.15 0.44 -0.75 4.52 4.20 2vbiE1 MET 7 HB2 -0.93 0.11 0.07 -0.04 2.15 1.35 2vbiE1 MET 7 HB3 -0.54 0.04 0.01 -0.04 2.03 1.50 2vbiE1 MET 7 HG2 -0.17 0.17 0.03 -0.04 2.63 2.62 2vbiE1 MET 7 HG3 -0.23 -0.13 0.07 -0.04 2.56 2.23 2vbiE1 MET 7 HE3 -0.08 0.04 0.09 -0.04 2.10 2.10 2vbiE1 TYR 8 H -0.02 0.40 -0.25 -0.55 8.29 7.87 2vbiE1 TYR 8 HA 0.19 0.07 0.43 -0.75 4.56 4.49 2vbiE1 TYR 8 HB2 0.17 0.12 0.05 -0.04 3.06 3.36 2vbiE1 TYR 8 HB3 0.01 0.11 0.14 -0.04 2.98 3.20 2vbiE1 TYR 8 HD2 0.09 0.18 -0.23 -0.04 7.15 7.16 2vbiE1 TYR 8 HE2 0.03 -0.00 -0.24 -0.04 6.85 6.59 2vbiE1 LEU 9 H 0.12 0.42 -0.16 -0.55 8.37 8.19 2vbiE1 LEU 9 HA 0.10 0.02 0.35 -0.75 4.35 4.06 2vbiE1 LEU 9 HB2 0.05 -0.06 0.02 -0.04 1.64 1.61 2vbiE1 LEU 9 HB3 -0.01 0.14 0.08 -0.04 1.64 1.80 2vbiE1 LEU 9 HG -0.06 0.06 -0.31 -0.04 1.64 1.28 2vbiE1 LEU 9 HD13 0.00 -0.01 -0.06 -0.04 0.93 0.82 2vbiE1 LEU 9 HD23 -0.05 -0.02 -0.12 -0.04 0.89 0.66 2vbiE1 ALA 10 H -0.05 0.36 -0.40 -0.55 8.40 7.76 2vbiE1 ALA 10 HA -0.12 0.00 0.25 -0.75 4.34 3.71 2vbiE1 ALA 10 HB3 -0.08 0.04 0.08 -0.04 1.41 1.41 2vbiE1 GLU 11 H -0.05 0.53 -0.17 -0.55 8.60 8.36 2vbiE1 GLU 11 HA -0.04 0.03 0.29 -0.75 4.29 3.81 2vbiE1 GLU 11 HB2 0.04 0.04 0.10 -0.04 2.09 2.24 2vbiE1 GLU 11 HB3 -0.07 0.05 0.08 -0.04 1.99 2.00 2vbiE1 GLU 11 HG2 -0.06 0.02 -0.10 -0.04 2.34 2.15 2vbiE1 GLU 11 HG3 -0.02 -0.03 0.04 -0.04 2.34 2.29 2vbiE1 ARG 12 H -0.13 0.42 -0.31 -0.55 8.46 7.89 2vbiE1 ARG 12 HA -0.10 0.06 0.48 -0.75 4.34 4.03 2vbiE1 ARG 12 HB2 -0.06 0.09 0.09 -0.04 1.90 1.98 2vbiE1 ARG 12 HB3 -0.04 -0.03 -0.09 -0.04 1.80 1.59 2vbiE1 ARG 12 HG2 -0.48 0.10 -0.01 -0.04 1.67 1.24 2vbiE1 ARG 12 HG3 -0.08 -0.11 -0.09 -0.04 1.67 1.35 2vbiE1 ARG 12 HD2 -0.06 0.00 -0.04 -0.04 3.22 3.08 2vbiE1 ARG 12 HD3 -0.16 0.05 -0.07 -0.04 3.22 3.00 2vbiE1 LEU 13 H -0.06 0.54 -0.13 -0.55 8.37 8.18 2vbiE1 LEU 13 HA -0.02 0.00 0.42 -0.75 4.35 4.00 2vbiE1 LEU 13 HB2 -0.08 0.16 0.09 -0.04 1.64 1.76 2vbiE1 LEU 13 HB3 -0.05 -0.03 -0.07 -0.04 1.64 1.45 2vbiE1 LEU 13 HG -0.06 0.20 -0.01 -0.04 1.64 1.73 2vbiE1 LEU 13 HD13 -0.15 -0.04 -0.14 -0.04 0.93 0.56 2vbiE1 LEU 13 HD23 -0.02 -0.02 -0.08 -0.04 0.89 0.72 2vbiE1 VAL 14 H -0.05 0.48 -0.21 -0.55 8.24 7.92 2vbiE1 VAL 14 HA -0.02 0.22 0.41 -0.75 4.13 3.99 2vbiE1 VAL 14 HB -0.03 0.06 0.08 -0.04 2.12 2.19 2vbiE1 VAL 14 HG13 -0.02 0.01 -0.12 -0.04 0.97 0.79 2vbiE1 VAL 14 HG23 -0.04 0.03 -0.14 -0.04 0.95 0.76 2vbiE1 GLN 15 H -0.04 0.37 -0.27 -0.55 8.47 7.98 2vbiE1 GLN 15 HA -0.02 0.05 0.40 -0.75 4.36 4.03 2vbiE1 GLN 15 HB2 -0.04 0.09 0.14 -0.04 2.15 2.30 2vbiE1 GLN 15 HB3 -0.03 -0.10 -0.04 -0.04 2.02 1.81 2vbiE1 GLN 15 HG2 -0.03 -0.04 0.01 -0.04 2.40 2.29 2vbiE1 GLN 15 HG3 -0.05 0.14 0.04 -0.04 2.39 2.48 2vbiE1 GLN 15 HE21 -0.06 0.33 -0.12 -0.04 6.97 7.07 2vbiE1 GLN 15 HE22 -0.04 -0.07 -0.07 -0.04 7.69 7.47 2vbiE1 ILE 16 H -0.01 0.36 -0.33 -0.55 8.25 7.71 2vbiE1 ILE 16 HA -0.00 -0.07 0.50 -0.75 4.18 3.86 2vbiE1 ILE 16 HB 0.02 0.16 0.09 -0.04 1.89 2.12 2vbiE1 ILE 16 HG12 -0.00 -0.06 -0.03 -0.04 1.49 1.36 2vbiE1 ILE 16 HG13 -0.01 0.24 0.05 -0.04 1.21 1.45 2vbiE1 ILE 16 HG23 0.03 -0.01 -0.15 -0.04 0.93 0.76 2vbiE1 ILE 16 HD13 0.01 -0.04 -0.05 -0.04 0.88 0.75 2vbiE1 GLY 17 H 0.01 0.31 -0.37 -0.55 8.43 7.83 2vbiE1 GLY 17 HA2 0.01 0.05 0.27 -0.51 4.01 3.83 2vbiE1 GLY 17 HA3 0.02 0.15 0.83 -0.51 4.01 4.49 2vbiE1 LEU 18 H 0.04 0.18 0.07 -0.55 8.37 8.11 2vbiE1 LEU 18 HA 0.22 0.07 0.60 -0.75 4.35 4.48 2vbiE1 LEU 18 HB2 0.03 0.19 -0.01 -0.04 1.64 1.82 2vbiE1 LEU 18 HB3 0.03 -0.05 -0.13 -0.04 1.64 1.45 2vbiE1 LEU 18 HG 0.12 0.05 0.05 -0.04 1.64 1.82 2vbiE1 LEU 18 HD13 0.14 0.00 -0.36 -0.04 0.93 0.67 2vbiE1 LEU 18 HD23 0.03 -0.05 -0.14 -0.04 0.89 0.68 2vbiE1 LYS 19 H 0.29 0.12 0.24 -0.55 8.42 8.52 2vbiE1 LYS 19 HA -0.10 0.33 0.88 -0.75 4.32 4.68 2vbiE1 LYS 19 HB2 0.11 0.00 0.09 -0.04 1.87 2.03 2vbiE1 LYS 19 HB3 -0.21 -0.03 0.19 -0.04 1.79 1.69 2vbiE1 LYS 19 HG2 0.05 0.08 -0.29 -0.04 1.46 1.26 2vbiE1 LYS 19 HG3 0.06 0.00 0.02 -0.04 1.46 1.50 2vbiE1 LYS 19 HD2 -0.04 -0.08 0.05 -0.04 1.69 1.59 2vbiE1 LYS 19 HD3 -0.04 0.16 0.07 -0.04 1.68 1.84 2vbiE1 LYS 19 HE2 -0.00 0.05 -0.04 -0.04 2.99 2.95 2vbiE1 LYS 19 HE3 0.01 0.01 0.00 -0.04 2.99 2.97 2vbiE1 HIS 20 H -0.01 0.16 0.17 -0.55 8.41 8.18 2vbiE1 HIS 20 HA -0.31 0.27 0.89 -0.75 4.63 4.73 2vbiE1 HIS 20 HB2 -0.90 -0.04 -0.04 -0.04 3.26 2.24 2vbiE1 HIS 20 HB3 -0.82 -0.01 0.02 -0.04 3.20 2.34 2vbiE1 HIS 20 HD2 -0.34 -0.07 -0.04 -0.04 6.97 6.48 2vbiE1 HIS 20 HE1 0.02 0.05 -0.02 -0.04 7.75 7.75 2vbiE1 HIS 21 H -0.56 0.60 0.34 -0.55 8.41 8.23 2vbiE1 HIS 21 HA -0.28 0.15 0.54 -0.75 4.63 4.29 2vbiE1 HIS 21 HB2 -0.07 -0.01 0.00 -0.04 3.26 3.14 2vbiE1 HIS 21 HB3 -0.12 0.05 -0.00 -0.04 3.20 3.08 2vbiE1 HIS 21 HD2 -0.04 -0.05 -0.28 -0.04 6.97 6.56 2vbiE1 HIS 21 HE1 -0.09 0.14 -0.36 -0.04 7.75 7.39 2vbiE1 PHE 22 H 0.21 0.57 0.39 -0.55 8.34 8.96 2vbiE1 PHE 22 HA -0.16 0.37 0.94 -0.75 4.62 5.02 2vbiE1 PHE 22 HB2 -0.02 -0.05 0.11 -0.04 3.15 3.15 2vbiE1 PHE 22 HB3 0.00 -0.08 0.02 -0.04 3.06 2.97 2vbiE1 PHE 22 HD2 -0.07 0.04 -0.09 -0.04 7.28 7.12 2vbiE1 PHE 22 HE2 -0.58 0.05 -0.14 -0.04 7.38 6.67 2vbiE1 PHE 22 HZ -0.26 0.14 -0.08 -0.04 7.32 7.08 2vbiE1 ALA 23 H 0.14 0.53 0.39 -0.55 8.40 8.91 2vbiE1 ALA 23 HA 0.15 0.15 0.89 -0.75 4.34 4.78 2vbiE1 ALA 23 HB3 0.21 0.01 -0.16 -0.04 1.41 1.43 2vbiE1 VAL 24 H 0.12 0.52 0.26 -0.55 8.24 8.59 2vbiE1 VAL 24 HA 0.12 0.19 0.63 -0.75 4.13 4.31 2vbiE1 VAL 24 HB 0.07 -0.15 0.09 -0.04 2.12 2.09 2vbiE1 VAL 24 HG13 0.05 0.06 -0.06 -0.04 0.97 0.98 2vbiE1 VAL 24 HG23 0.09 0.01 -0.31 -0.04 0.95 0.70 2vbiE1 ALA 25 H 0.02 0.19 0.03 -0.55 8.40 8.09 2vbiE1 ALA 25 HA 0.05 0.03 0.32 -0.75 4.34 4.00 2vbiE1 ALA 25 HB3 -0.03 0.03 0.02 -0.04 1.41 1.38 2vbiE1 GLY 26 H 0.07 0.26 0.17 -0.55 8.43 8.39 2vbiE1 GLY 26 HA2 0.07 0.18 0.34 -0.51 4.01 4.09 2vbiE1 GLY 26 HA3 0.12 -0.02 0.42 -0.51 4.01 4.02 2vbiE1 ASP 27 H 0.05 0.24 0.14 -0.55 8.40 8.29 2vbiE1 ASP 27 HA -0.01 0.11 0.40 -0.75 4.63 4.39 2vbiE1 ASP 27 HB2 -0.10 0.07 0.11 -0.04 2.71 2.75 2vbiE1 ASP 27 HB3 -0.08 0.09 0.14 -0.04 2.70 2.81 2vbiE1 TYR 28 H 0.10 0.06 -0.19 -0.55 8.29 7.70 2vbiE1 TYR 28 HA 0.03 0.12 0.47 -0.75 4.56 4.43 2vbiE1 TYR 28 HB2 0.12 -0.12 0.03 -0.04 3.06 3.06 2vbiE1 TYR 28 HB3 0.04 -0.01 -0.08 -0.04 2.98 2.89 2vbiE1 TYR 28 HD2 0.10 -0.02 -0.02 -0.04 7.15 7.17 2vbiE1 TYR 28 HE2 -0.22 0.05 -0.01 -0.04 6.85 6.63 2vbiE1 ASN 29 H 0.12 0.48 -0.35 -0.55 8.53 8.23 2vbiE1 ASN 29 HA 0.08 0.19 0.96 -0.75 4.76 5.24 2vbiE1 ASN 29 HB2 0.07 0.06 0.06 -0.04 2.88 3.04 2vbiE1 ASN 29 HB3 0.12 -0.07 -0.13 -0.04 2.79 2.67 2vbiE1 ASN 29 HD21 0.09 0.39 -0.20 -0.04 7.03 7.28 2vbiE1 ASN 29 HD22 0.09 0.15 -0.53 -0.04 7.74 7.41 2vbiE1 LEU 30 H 0.05 0.28 0.07 -0.55 8.37 8.23 2vbiE1 LEU 30 HA 0.04 0.09 0.37 -0.75 4.35 4.09 2vbiE1 LEU 30 HB2 0.01 0.01 0.13 -0.04 1.64 1.75 2vbiE1 LEU 30 HB3 0.01 0.08 0.01 -0.04 1.64 1.70 2vbiE1 LEU 30 HG 0.02 0.07 -0.03 -0.04 1.64 1.66 2vbiE1 LEU 30 HD13 -0.01 0.02 -0.04 -0.04 0.93 0.85 2vbiE1 LEU 30 HD23 0.01 -0.02 -0.10 -0.04 0.89 0.74 2vbiE1 VAL 31 H 0.03 0.13 -0.09 -0.55 8.24 7.75 2vbiE1 VAL 31 HA 0.01 0.14 0.40 -0.75 4.13 3.92 2vbiE1 VAL 31 HB 0.02 0.01 0.06 -0.04 2.12 2.17 2vbiE1 VAL 31 HG13 -0.00 0.01 -0.16 -0.04 0.97 0.78 2vbiE1 VAL 31 HG23 0.01 0.01 0.01 -0.04 0.95 0.94 2vbiE1 LEU 32 H 0.03 0.03 -0.37 -0.55 8.37 7.51 2vbiE1 LEU 32 HA -0.00 0.03 0.40 -0.75 4.35 4.02 2vbiE1 LEU 32 HB2 0.01 -0.06 0.06 -0.04 1.64 1.61 2vbiE1 LEU 32 HB3 0.03 0.08 0.11 -0.04 1.64 1.81 2vbiE1 LEU 32 HG 0.00 0.07 -0.30 -0.04 1.64 1.38 2vbiE1 LEU 32 HD13 -0.03 -0.01 -0.03 -0.04 0.93 0.82 2vbiE1 LEU 32 HD23 0.00 -0.00 -0.13 -0.04 0.89 0.72 2vbiE1 LEU 33 H 0.05 0.59 -0.08 -0.55 8.37 8.37 2vbiE1 LEU 33 HA 0.09 0.04 0.39 -0.75 4.35 4.11 2vbiE1 LEU 33 HB2 0.06 0.09 0.10 -0.04 1.64 1.85 2vbiE1 LEU 33 HB3 0.12 0.03 -0.05 -0.04 1.64 1.69 2vbiE1 LEU 33 HG 0.08 0.17 -0.05 -0.04 1.64 1.80 2vbiE1 LEU 33 HD13 0.10 -0.02 -0.19 -0.04 0.93 0.78 2vbiE1 LEU 33 HD23 0.15 0.01 -0.13 -0.04 0.89 0.88 2vbiE1 ASP 34 H 0.03 0.43 -0.26 -0.55 8.40 8.05 2vbiE1 ASP 34 HA 0.03 0.04 0.39 -0.75 4.63 4.34 2vbiE1 ASP 34 HB2 0.01 0.13 0.16 -0.04 2.71 2.97 2vbiE1 ASP 34 HB3 0.00 -0.00 -0.04 -0.04 2.70 2.62 2vbiE1 GLN 35 H -0.01 0.42 -0.18 -0.55 8.47 8.16 2vbiE1 GLN 35 HA -0.04 0.05 0.37 -0.75 4.36 3.99 2vbiE1 GLN 35 HB2 -0.04 0.14 0.07 -0.04 2.15 2.28 2vbiE1 GLN 35 HB3 -0.08 -0.16 -0.20 -0.04 2.02 1.54 2vbiE1 GLN 35 HG2 -0.03 0.09 -0.07 -0.04 2.40 2.35 2vbiE1 GLN 35 HG3 -0.05 0.01 0.00 -0.04 2.39 2.31 2vbiE1 GLN 35 HE21 -0.02 0.02 -0.09 -0.04 6.97 6.84 2vbiE1 GLN 35 HE22 -0.01 0.13 -0.05 -0.04 7.69 7.72 2vbiE1 LEU 36 H -0.01 0.43 -0.20 -0.55 8.37 8.04 2vbiE1 LEU 36 HA -0.07 0.04 0.36 -0.75 4.35 3.92 2vbiE1 LEU 36 HB2 0.05 0.06 0.06 -0.04 1.64 1.77 2vbiE1 LEU 36 HB3 -0.16 0.02 -0.08 -0.04 1.64 1.39 2vbiE1 LEU 36 HG -0.08 0.02 -0.04 -0.04 1.64 1.50 2vbiE1 LEU 36 HD13 -0.12 -0.04 -0.19 -0.04 0.93 0.54 2vbiE1 LEU 36 HD23 -0.27 -0.00 -0.11 -0.04 0.89 0.47 2vbiE1 LEU 37 H 0.04 0.40 -0.29 -0.55 8.37 7.97 2vbiE1 LEU 37 HA 0.05 0.08 0.31 -0.75 4.35 4.04 2vbiE1 LEU 37 HB2 0.04 0.10 0.10 -0.04 1.64 1.84 2vbiE1 LEU 37 HB3 0.04 -0.03 0.01 -0.04 1.64 1.61 2vbiE1 LEU 37 HG 0.10 0.03 -0.01 -0.04 1.64 1.73 2vbiE1 LEU 37 HD13 0.08 -0.05 -0.10 -0.04 0.93 0.82 2vbiE1 LEU 37 HD23 0.07 -0.00 0.01 -0.04 0.89 0.93 2vbiE1 LEU 38 H -0.01 0.29 -0.58 -0.55 8.37 7.53 2vbiE1 LEU 38 HA -0.00 0.04 0.42 -0.75 4.35 4.06 2vbiE1 LEU 38 HB2 -0.04 0.17 0.08 -0.04 1.64 1.82 2vbiE1 LEU 38 HB3 -0.02 -0.07 0.10 -0.04 1.64 1.61 2vbiE1 LEU 38 HG -0.01 0.17 0.02 -0.04 1.64 1.78 2vbiE1 LEU 38 HD13 -0.03 -0.04 0.01 -0.04 0.93 0.83 2vbiE1 LEU 38 HD23 -0.00 -0.02 -0.01 -0.04 0.89 0.82 2vbiE1 ASN 39 H -0.01 0.44 -0.46 -0.55 8.53 7.95 2vbiE1 ASN 39 HA -0.01 0.05 0.82 -0.75 4.76 4.86 2vbiE1 ASN 39 HB2 -0.03 -0.04 0.02 -0.04 2.88 2.79 2vbiE1 ASN 39 HB3 -0.03 0.12 0.12 -0.04 2.79 2.96 2vbiE1 ASN 39 HD21 -0.02 0.02 -0.13 -0.04 7.03 6.86 2vbiE1 ASN 39 HD22 -0.03 -0.04 -0.17 -0.04 7.74 7.47 2vbiE1 LYS 40 H -0.01 0.17 0.12 -0.55 8.42 8.15 2vbiE1 LYS 40 HA -0.02 0.23 0.44 -0.75 4.32 4.21 2vbiE1 LYS 40 HB2 -0.01 -0.04 0.07 -0.04 1.87 1.85 2vbiE1 LYS 40 HB3 -0.01 0.00 0.13 -0.04 1.79 1.87 2vbiE1 LYS 40 HG2 -0.00 0.06 0.02 -0.04 1.46 1.49 2vbiE1 LYS 40 HG3 -0.00 -0.05 0.03 -0.04 1.46 1.39 2vbiE1 LYS 40 HD2 -0.01 -0.03 0.00 -0.04 1.69 1.61 2vbiE1 LYS 40 HD3 -0.01 0.13 -0.22 -0.04 1.68 1.54 2vbiE1 LYS 40 HE2 0.00 0.02 -0.03 -0.04 2.99 2.94 2vbiE1 LYS 40 HE3 0.00 -0.09 -0.01 -0.04 2.99 2.85 2vbiE1 ASP 41 H -0.02 -0.02 -0.44 -0.55 8.40 7.36 2vbiE1 ASP 41 HA -0.04 0.13 0.58 -0.75 4.63 4.54 2vbiE1 ASP 41 HB2 -0.03 -0.05 -0.04 -0.04 2.71 2.55 2vbiE1 ASP 41 HB3 -0.03 0.09 0.07 -0.04 2.70 2.79 2vbiE1 MET 42 H -0.05 0.30 -0.29 -0.55 8.47 7.89 2vbiE1 MET 42 HA -0.18 0.27 0.40 -0.75 4.52 4.26 2vbiE1 MET 42 HB2 -0.10 -0.07 -0.55 -0.04 2.15 1.39 2vbiE1 MET 42 HB3 -0.07 0.18 -0.31 -0.04 2.03 1.80 2vbiE1 MET 42 HG2 -0.02 -0.07 -0.23 -0.04 2.63 2.26 2vbiE1 MET 42 HG3 0.08 0.00 -0.35 -0.04 2.56 2.25 2vbiE1 MET 42 HE3 -0.25 0.01 -0.11 -0.04 2.10 1.71 2vbiE1 LYS 43 H -0.37 0.65 0.27 -0.55 8.42 8.41 2vbiE1 LYS 43 HA -0.15 0.16 0.92 -0.75 4.32 4.49 2vbiE1 LYS 43 HB2 -0.24 -0.00 0.09 -0.04 1.87 1.68 2vbiE1 LYS 43 HB3 -0.16 -0.02 -0.00 -0.04 1.79 1.57 2vbiE1 LYS 43 HG2 -0.13 0.06 -0.16 -0.04 1.46 1.19 2vbiE1 LYS 43 HG3 -0.25 0.09 -0.04 -0.04 1.46 1.21 2vbiE1 LYS 43 HD2 -0.03 0.01 -0.01 -0.04 1.69 1.62 2vbiE1 LYS 43 HD3 -0.04 -0.04 -0.00 -0.04 1.68 1.55 2vbiE1 LYS 43 HE2 -0.05 0.02 -0.04 -0.04 2.99 2.89 2vbiE1 LYS 43 HE3 -0.03 0.02 -0.02 -0.04 2.99 2.92 2vbiE1 GLN 44 H -0.23 0.20 0.11 -0.55 8.47 8.00 2vbiE1 GLN 44 HA -1.08 0.18 0.80 -0.75 4.36 3.51 2vbiE1 GLN 44 HB2 -0.19 0.04 -0.06 -0.04 2.15 1.90 2vbiE1 GLN 44 HB3 -0.18 -0.01 0.12 -0.04 2.02 1.91 2vbiE1 GLN 44 HG2 -0.33 -0.04 -0.26 -0.04 2.40 1.72 2vbiE1 GLN 44 HG3 -0.34 0.01 -0.13 -0.04 2.39 1.90 2vbiE1 GLN 44 HE21 0.19 0.09 0.01 -0.04 6.97 7.22 2vbiE1 GLN 44 HE22 0.59 0.03 -0.13 -0.04 7.69 8.14 2vbiE1 ILE 45 H -0.72 0.69 0.37 -0.55 8.25 8.04 2vbiE1 ILE 45 HA -0.65 0.23 1.06 -0.75 4.18 4.07 2vbiE1 ILE 45 HB -0.74 -0.01 0.09 -0.04 1.89 1.19 2vbiE1 ILE 45 HG12 -1.03 0.05 -0.11 -0.04 1.49 0.36 2vbiE1 ILE 45 HG13 -0.33 -0.15 -0.21 -0.04 1.21 0.48 2vbiE1 ILE 45 HG23 -0.52 0.06 -0.24 -0.04 0.93 0.19 2vbiE1 ILE 45 HD13 0.01 0.01 -0.14 -0.04 0.88 0.72 2vbiE1 TYR 46 H 0.13 0.21 0.18 -0.55 8.29 8.26 2vbiE1 TYR 46 HA 0.10 0.26 1.01 -0.75 4.56 5.18 2vbiE1 TYR 46 HB2 0.12 0.01 0.05 -0.04 3.06 3.19 2vbiE1 TYR 46 HB3 0.07 -0.00 0.08 -0.04 2.98 3.09 2vbiE1 TYR 46 HD2 0.07 0.04 -0.10 -0.04 7.15 7.13 2vbiE1 TYR 46 HE2 0.03 -0.00 -0.11 -0.04 6.85 6.72 2vbiE1 CYS 47 H 0.23 0.42 0.29 -0.55 8.50 8.89 2vbiE1 CYS 47 HA 0.09 0.21 0.90 -0.75 4.58 5.02 2vbiE1 CYS 47 HB2 0.12 -0.02 -0.11 -0.04 2.97 2.92 2vbiE1 CYS 47 HB3 0.06 -0.17 -0.02 -0.04 2.97 2.81 2vbiE1 CYS 48 H -0.02 0.09 0.11 -0.55 8.50 8.13 2vbiE1 CYS 48 HA 0.00 0.16 0.41 -0.75 4.58 4.39 2vbiE1 CYS 48 HB2 -0.04 -0.15 0.09 -0.04 2.97 2.82 2vbiE1 CYS 48 HB3 -0.02 0.02 -0.04 -0.04 2.97 2.89 2vbiE1 ASN 49 H 0.02 0.06 0.07 -0.55 8.53 8.13 2vbiE1 ASN 49 HA 0.03 0.31 0.70 -0.75 4.76 5.04 2vbiE1 ASN 49 HB2 0.03 -0.09 0.17 -0.04 2.88 2.95 2vbiE1 ASN 49 HB3 0.03 0.19 -0.02 -0.04 2.79 2.94 2vbiE1 ASN 49 HD21 0.05 0.08 0.01 -0.04 7.03 7.13 2vbiE1 ASN 49 HD22 0.04 0.11 -0.02 -0.04 7.74 7.83 2vbiE1 GLU 50 H 0.02 0.25 0.15 -0.55 8.60 8.47 2vbiE1 GLU 50 HA 0.03 0.12 0.26 -0.75 4.29 3.94 2vbiE1 GLU 50 HB2 0.01 0.06 0.17 -0.04 2.09 2.28 2vbiE1 GLU 50 HB3 0.01 0.08 0.03 -0.04 1.99 2.07 2vbiE1 GLU 50 HG2 0.03 -0.13 0.07 -0.04 2.34 2.27 2vbiE1 GLU 50 HG3 0.04 0.04 -0.04 -0.04 2.34 2.35 2vbiE1 LEU 51 H 0.02 0.10 -0.12 -0.55 8.37 7.82 2vbiE1 LEU 51 HA -0.10 0.20 0.45 -0.75 4.35 4.14 2vbiE1 LEU 51 HB2 0.04 0.04 0.06 -0.04 1.64 1.73 2vbiE1 LEU 51 HB3 0.07 -0.05 0.05 -0.04 1.64 1.67 2vbiE1 LEU 51 HG 0.16 -0.02 -0.28 -0.04 1.64 1.47 2vbiE1 LEU 51 HD13 -0.11 0.01 0.02 -0.04 0.93 0.82 2vbiE1 LEU 51 HD23 0.24 0.02 -0.06 -0.04 0.89 1.06 2vbiE1 ASN 52 H 0.05 0.05 -0.23 -0.55 8.53 7.85 2vbiE1 ASN 52 HA 0.15 0.09 0.36 -0.75 4.76 4.60 2vbiE1 ASN 52 HB2 0.02 -0.03 0.08 -0.04 2.88 2.92 2vbiE1 ASN 52 HB3 0.01 0.07 0.00 -0.04 2.79 2.83 2vbiE1 ASN 52 HD21 -0.01 0.03 0.04 -0.04 7.03 7.04 2vbiE1 ASN 52 HD22 -0.05 -0.03 0.00 -0.04 7.74 7.62 2vbiE1 CYS 53 H 0.02 0.34 -0.25 -0.55 8.50 8.06 2vbiE1 CYS 53 HA 0.04 0.08 0.34 -0.75 4.58 4.29 2vbiE1 CYS 53 HB2 0.06 0.06 -0.10 -0.04 2.97 2.95 2vbiE1 CYS 53 HB3 0.03 0.05 0.01 -0.04 2.97 3.02 2vbiE1 GLY 54 H -0.07 0.49 -0.21 -0.55 8.43 8.10 2vbiE1 GLY 54 HA2 -0.07 0.05 0.33 -0.51 4.01 3.81 2vbiE1 GLY 54 HA3 -0.17 0.07 0.30 -0.51 4.01 3.69 2vbiE1 PHE 55 H -0.09 0.48 -0.14 -0.55 8.34 8.04 2vbiE1 PHE 55 HA 0.04 0.07 0.46 -0.75 4.62 4.44 2vbiE1 PHE 55 HB2 -0.02 0.01 0.03 -0.04 3.15 3.13 2vbiE1 PHE 55 HB3 -0.04 -0.02 -0.08 -0.04 3.06 2.87 2vbiE1 PHE 55 HD2 0.12 0.00 -0.10 -0.04 7.28 7.26 2vbiE1 PHE 55 HE2 -0.28 0.02 -0.08 -0.04 7.38 7.00 2vbiE1 PHE 55 HZ 0.05 0.02 -0.11 -0.04 7.32 7.23 2vbiE1 SER 56 H -0.04 0.56 -0.34 -0.55 8.46 8.10 2vbiE1 SER 56 HA -0.16 0.19 0.46 -0.75 4.49 4.22 2vbiE1 SER 56 HB2 -0.46 0.12 0.11 -0.04 3.95 3.68 2vbiE1 SER 56 HB3 -0.84 0.00 -0.05 -0.04 3.93 3.00 2vbiE1 ALA 57 H -0.29 0.41 -0.23 -0.55 8.40 7.74 2vbiE1 ALA 57 HA -0.26 0.07 0.33 -0.75 4.34 3.72 2vbiE1 ALA 57 HB3 -0.02 0.02 -0.11 -0.04 1.41 1.26 2vbiE1 GLU 58 H 0.02 0.41 -0.25 -0.55 8.60 8.24 2vbiE1 GLU 58 HA 0.10 0.06 0.24 -0.75 4.29 3.94 2vbiE1 GLU 58 HB2 0.20 0.03 0.05 -0.04 2.09 2.32 2vbiE1 GLU 58 HB3 0.34 0.05 0.06 -0.04 1.99 2.40 2vbiE1 GLU 58 HG2 0.16 0.07 -0.07 -0.04 2.34 2.46 2vbiE1 GLU 58 HG3 0.24 -0.05 -0.14 -0.04 2.34 2.36 2vbiE1 GLY 59 H 0.04 0.49 -0.21 -0.55 8.43 8.20 2vbiE1 GLY 59 HA2 0.08 -0.01 0.34 -0.51 4.01 3.91 2vbiE1 GLY 59 HA3 -0.05 0.17 0.37 -0.51 4.01 3.99 2vbiE1 TYR 60 H 0.05 0.48 -0.32 -0.55 8.29 7.95 2vbiE1 TYR 60 HA -0.01 0.11 0.20 -0.75 4.56 4.10 2vbiE1 TYR 60 HB2 0.03 -0.02 0.03 -0.04 3.06 3.06 2vbiE1 TYR 60 HB3 0.09 0.07 0.06 -0.04 2.98 3.15 2vbiE1 TYR 60 HD2 0.09 0.17 -0.03 -0.04 7.15 7.34 2vbiE1 TYR 60 HE2 -0.12 0.05 -0.10 -0.04 6.85 6.64 2vbiE1 ALA 61 H 0.15 0.49 -0.34 -0.55 8.40 8.16 2vbiE1 ALA 61 HA 0.10 0.07 0.12 -0.75 4.34 3.88 2vbiE1 ALA 61 HB3 0.08 0.04 -0.25 -0.04 1.41 1.24 2vbiE1 ARG 62 H 0.07 0.31 -0.37 -0.55 8.46 7.91 2vbiE1 ARG 62 HA 0.05 0.04 0.33 -0.75 4.34 4.01 2vbiE1 ARG 62 HB2 0.09 0.24 0.10 -0.04 1.90 2.29 2vbiE1 ARG 62 HB3 0.10 -0.04 -0.07 -0.04 1.80 1.75 2vbiE1 ARG 62 HG2 0.15 0.00 0.01 -0.04 1.67 1.78 2vbiE1 ARG 62 HG3 0.14 0.05 -0.03 -0.04 1.67 1.79 2vbiE1 ARG 62 HD2 0.25 -0.03 -0.09 -0.04 3.22 3.31 2vbiE1 ARG 62 HD3 0.29 -0.06 -0.07 -0.04 3.22 3.34 2vbiE1 SER 63 H -0.06 0.23 -0.30 -0.55 8.46 7.79 2vbiE1 SER 63 HA -0.03 0.14 0.77 -0.75 4.49 4.62 2vbiE1 SER 63 HB2 -0.05 0.01 -0.06 -0.04 3.95 3.81 2vbiE1 SER 63 HB3 -0.00 -0.11 -0.06 -0.04 3.93 3.71 2vbiE1 ASN 64 H -0.19 0.52 0.09 -0.55 8.53 8.41 2vbiE1 ASN 64 HA -0.13 0.17 0.88 -0.75 4.76 4.93 2vbiE1 ASN 64 HB2 -0.62 -0.05 0.14 -0.04 2.88 2.31 2vbiE1 ASN 64 HB3 -0.26 0.11 0.14 -0.04 2.79 2.74 2vbiE1 ASN 64 HD21 0.07 0.46 0.11 -0.04 7.03 7.63 2vbiE1 ASN 64 HD22 -0.06 -0.04 0.13 -0.04 7.74 7.73 2vbiE1 GLY 65 H -0.02 0.47 0.07 -0.55 8.43 8.41 2vbiE1 GLY 65 HA2 -0.01 0.02 0.35 -0.51 4.01 3.85 2vbiE1 GLY 65 HA3 -0.01 0.15 0.86 -0.51 4.01 4.51 2vbiE1 ALA 66 H 0.07 0.26 -0.09 -0.55 8.40 8.08 2vbiE1 ALA 66 HA 0.06 0.13 0.42 -0.75 4.34 4.19 2vbiE1 ALA 66 HB3 0.04 0.02 -0.00 -0.04 1.41 1.44 2vbiE1 ALA 67 H 0.09 0.50 0.29 -0.55 8.40 8.73 2vbiE1 ALA 67 HA 0.19 0.16 0.49 -0.75 4.34 4.42 2vbiE1 ALA 67 HB3 0.21 -0.03 -0.08 -0.04 1.41 1.47 2vbiE1 ALA 68 H 0.09 0.30 0.24 -0.55 8.40 8.49 2vbiE1 ALA 68 HA 0.05 0.25 0.95 -0.75 4.34 4.83 2vbiE1 ALA 68 HB3 0.02 0.02 0.01 -0.04 1.41 1.42 2vbiE1 ALA 69 H 0.05 0.60 0.36 -0.55 8.40 8.87 2vbiE1 ALA 69 HA 0.16 0.34 0.98 -0.75 4.34 5.06 2vbiE1 ALA 69 HB3 0.06 -0.03 -0.10 -0.04 1.41 1.29 2vbiE1 VAL 70 H 0.13 0.71 0.39 -0.55 8.24 8.92 2vbiE1 VAL 70 HA 0.05 0.36 1.19 -0.75 4.13 4.97 2vbiE1 VAL 70 HB 0.14 -0.05 0.12 -0.04 2.12 2.29 2vbiE1 VAL 70 HG13 0.06 -0.02 -0.15 -0.04 0.97 0.82 2vbiE1 VAL 70 HG23 0.07 0.02 -0.21 -0.04 0.95 0.79 2vbiE1 VAL 71 H 0.05 0.66 0.35 -0.55 8.24 8.74 2vbiE1 VAL 71 HA 0.08 0.27 1.03 -0.75 4.13 4.75 2vbiE1 VAL 71 HB 0.05 -0.17 0.03 -0.04 2.12 1.99 2vbiE1 VAL 71 HG13 0.05 0.01 -0.30 -0.04 0.97 0.69 2vbiE1 VAL 71 HG23 0.05 0.03 -0.27 -0.04 0.95 0.71 2vbiE1 THR 72 H 0.08 0.14 0.14 -0.55 8.28 8.09 2vbiE1 THR 72 HA 0.18 0.12 0.88 -0.75 4.39 4.81 2vbiE1 THR 72 HB 0.14 0.10 0.00 -0.04 4.32 4.52 2vbiE1 THR 72 HG23 0.06 0.02 -0.04 -0.04 1.22 1.22 2vbiE1 PHE 73 H 0.38 0.07 0.09 -0.55 8.34 8.33 2vbiE1 PHE 73 HA -0.01 0.07 0.41 -0.75 4.62 4.33 2vbiE1 PHE 73 HB2 -0.35 0.14 0.05 -0.04 3.15 2.95 2vbiE1 PHE 73 HB3 -0.20 -0.02 0.09 -0.04 3.06 2.89 2vbiE1 PHE 73 HD2 -0.14 0.18 0.02 -0.04 7.28 7.29 2vbiE1 PHE 73 HE2 -0.12 -0.01 0.05 -0.04 7.38 7.25 2vbiE1 PHE 73 HZ -0.21 0.21 0.16 -0.04 7.32 7.43 2vbiE1 SER 74 H -0.67 0.17 0.19 -0.55 8.46 7.61 2vbiE1 SER 74 HA -0.26 -0.00 0.45 -0.75 4.49 3.93 2vbiE1 SER 74 HB2 0.07 0.24 0.18 -0.04 3.95 4.40 2vbiE1 SER 74 HB3 0.05 -0.01 0.02 -0.04 3.93 3.94 2vbiE1 VAL 75 H -0.06 0.51 0.44 -0.55 8.24 8.59 2vbiE1 VAL 75 HA -0.03 0.08 0.38 -0.75 4.13 3.81 2vbiE1 VAL 75 HB -0.11 0.03 0.08 -0.04 2.12 2.08 2vbiE1 VAL 75 HG13 -0.05 0.02 0.10 -0.04 0.97 1.00 2vbiE1 VAL 75 HG23 -0.48 0.05 0.06 -0.04 0.95 0.54 2vbiE1 GLY 76 H -0.04 0.19 -0.43 -0.55 8.43 7.61 2vbiE1 GLY 76 HA2 -0.00 0.09 0.72 -0.51 4.01 4.31 2vbiE1 GLY 76 HA3 0.02 -0.02 0.30 -0.51 4.01 3.80 2vbiE1 ALA 77 H -0.03 0.18 -0.16 -0.55 8.40 7.84 2vbiE1 ALA 77 HA 0.02 0.07 0.10 -0.75 4.34 3.78 2vbiE1 ALA 77 HB3 -0.02 -0.00 0.01 -0.04 1.41 1.36 2vbiE1 ILE 78 H -0.04 0.56 -0.15 -0.55 8.25 8.07 2vbiE1 ILE 78 HA -0.02 0.08 0.27 -0.75 4.18 3.75 2vbiE1 ILE 78 HB -0.00 0.10 0.07 -0.04 1.89 2.02 2vbiE1 ILE 78 HG12 0.01 0.03 0.00 -0.04 1.49 1.48 2vbiE1 ILE 78 HG13 -0.05 -0.14 0.09 -0.04 1.21 1.07 2vbiE1 ILE 78 HG23 0.02 0.01 -0.13 -0.04 0.93 0.78 2vbiE1 ILE 78 HD13 0.06 0.00 -0.04 -0.04 0.88 0.86 2vbiE1 SER 79 H -0.00 0.24 -0.23 -0.55 8.46 7.93 2vbiE1 SER 79 HA 0.03 0.12 0.39 -0.75 4.49 4.28 2vbiE1 SER 79 HB2 0.02 -0.10 0.02 -0.04 3.95 3.85 2vbiE1 SER 79 HB3 0.03 0.06 0.08 -0.04 3.93 4.05 2vbiE1 ALA 80 H -0.01 0.37 -0.33 -0.55 8.40 7.87 2vbiE1 ALA 80 HA -0.10 0.04 0.47 -0.75 4.34 4.00 2vbiE1 ALA 80 HB3 -0.02 0.02 -0.01 -0.04 1.41 1.36 2vbiE1 MET 81 H -0.02 0.44 -0.39 -0.55 8.47 7.95 2vbiE1 MET 81 HA -0.04 0.03 0.43 -0.75 4.52 4.18 2vbiE1 MET 81 HB2 -0.00 0.30 0.14 -0.04 2.15 2.55 2vbiE1 MET 81 HB3 -0.01 0.01 -0.03 -0.04 2.03 1.95 2vbiE1 MET 81 HG2 -0.05 0.02 -0.05 -0.04 2.63 2.51 2vbiE1 MET 81 HG3 -0.02 0.07 -0.05 -0.04 2.56 2.51 2vbiE1 MET 81 HE3 -0.15 -0.01 -0.11 -0.04 2.10 1.79 2vbiE1 ASN 82 H -0.01 0.35 -0.38 -0.55 8.53 7.95 2vbiE1 ASN 82 HA 0.27 0.09 0.52 -0.75 4.76 4.88 2vbiE1 ASN 82 HB2 0.12 0.02 0.14 -0.04 2.88 3.11 2vbiE1 ASN 82 HB3 -0.01 0.01 0.12 -0.04 2.79 2.87 2vbiE1 ASN 82 HD21 0.40 -0.00 -0.01 -0.04 7.03 7.37 2vbiE1 ASN 82 HD22 0.24 -0.02 0.02 -0.04 7.74 7.94 2vbiE1 ALA 83 H -0.27 0.21 -0.14 -0.55 8.40 7.65 2vbiE1 ALA 83 HA -0.69 0.01 0.40 -0.75 4.34 3.31 2vbiE1 ALA 83 HB3 -0.60 0.06 -0.05 -0.04 1.41 0.78 2vbiE1 LEU 84 H -0.15 0.46 -0.09 -0.55 8.37 8.04 2vbiE1 LEU 84 HA -0.10 0.04 0.46 -0.75 4.35 3.99 2vbiE1 LEU 84 HB2 -0.07 -0.07 0.16 -0.04 1.64 1.62 2vbiE1 LEU 84 HB3 -0.05 0.20 -0.07 -0.04 1.64 1.67 2vbiE1 LEU 84 HG -0.01 -0.07 -0.09 -0.04 1.64 1.43 2vbiE1 LEU 84 HD13 0.06 0.00 -0.13 -0.04 0.93 0.83 2vbiE1 LEU 84 HD23 0.01 -0.00 -0.03 -0.04 0.89 0.82 2vbiE1 GLY 85 H -0.22 0.57 -0.12 -0.55 8.43 8.11 2vbiE1 GLY 85 HA2 -0.34 0.12 0.50 -0.51 4.01 3.77 2vbiE1 GLY 85 HA3 -0.60 0.04 0.32 -0.51 4.01 3.26 2vbiE1 GLY 86 H -0.96 0.42 -0.27 -0.55 8.43 7.08 2vbiE1 GLY 86 HA2 -1.70 -0.08 0.47 -0.51 4.01 2.19 2vbiE1 GLY 86 HA3 -0.68 -0.01 0.29 -0.51 4.01 3.10 2vbiE1 ALA 87 H -0.24 0.53 -0.09 -0.55 8.40 8.05 2vbiE1 ALA 87 HA -0.04 -0.01 0.42 -0.75 4.34 3.96 2vbiE1 ALA 87 HB3 -0.04 0.09 0.15 -0.04 1.41 1.56 2vbiE1 TYR 88 H -0.08 0.54 -0.04 -0.55 8.29 8.16 2vbiE1 TYR 88 HA -0.08 0.08 0.58 -0.75 4.56 4.38 2vbiE1 TYR 88 HB2 -0.14 0.17 0.18 -0.04 3.06 3.22 2vbiE1 TYR 88 HB3 -0.18 0.01 0.15 -0.04 2.98 2.93 2vbiE1 TYR 88 HD2 -0.04 0.04 -0.24 -0.04 7.15 6.86 2vbiE1 TYR 88 HE2 -0.01 -0.03 -0.26 -0.04 6.85 6.51 2vbiE1 ALA 89 H -0.15 0.57 -0.07 -0.55 8.40 8.21 2vbiE1 ALA 89 HA 0.13 0.03 0.40 -0.75 4.34 4.14 2vbiE1 ALA 89 HB3 0.13 -0.03 0.06 -0.04 1.41 1.53 2vbiE1 GLU 90 H -0.06 0.40 -0.34 -0.55 8.60 8.06 2vbiE1 GLU 90 HA -0.02 0.04 0.76 -0.75 4.29 4.31 2vbiE1 GLU 90 HB2 -0.00 0.08 0.07 -0.04 2.09 2.19 2vbiE1 GLU 90 HB3 -0.00 0.03 0.18 -0.04 1.99 2.16 2vbiE1 GLU 90 HG2 -0.02 0.08 0.00 -0.04 2.34 2.36 2vbiE1 GLU 90 HG3 -0.09 -0.07 0.02 -0.04 2.34 2.16 2vbiE1 ASN 91 H -0.07 0.30 -0.40 -0.55 8.53 7.81 2vbiE1 ASN 91 HA -0.14 0.21 0.47 -0.75 4.76 4.55 2vbiE1 ASN 91 HB2 -0.04 -0.01 -0.03 -0.04 2.88 2.76 2vbiE1 ASN 91 HB3 -0.07 0.05 0.28 -0.04 2.79 3.01 2vbiE1 ASN 91 HD21 -0.03 -0.09 -0.04 -0.04 7.03 6.83 2vbiE1 ASN 91 HD22 -0.02 -0.02 -0.20 -0.04 7.74 7.46 2vbiE1 LEU 92 H -0.07 0.51 -0.01 -0.55 8.37 8.25 2vbiE1 LEU 92 HA -0.02 0.32 0.83 -0.75 4.35 4.72 2vbiE1 LEU 92 HB2 0.01 -0.18 -0.00 -0.04 1.64 1.43 2vbiE1 LEU 92 HB3 0.03 -0.05 -0.21 -0.04 1.64 1.38 2vbiE1 LEU 92 HG 0.02 0.28 -0.44 -0.04 1.64 1.46 2vbiE1 LEU 92 HD13 0.10 -0.04 -0.10 -0.04 0.93 0.85 2vbiE1 LEU 92 HD23 0.04 0.00 -0.22 -0.04 0.89 0.67 2vbiE1 PRO 93 HA -0.03 0.15 0.05 -0.51 4.44 4.10 2vbiE1 PRO 93 HB2 -0.01 -0.10 0.03 -0.04 2.28 2.16 2vbiE1 PRO 93 HB3 -0.03 0.20 -0.17 -0.04 2.02 1.98 2vbiE1 PRO 93 HG2 0.01 0.06 0.29 -0.04 2.03 2.34 2vbiE1 PRO 93 HG3 -0.02 0.10 0.12 -0.04 2.03 2.19 2vbiE1 PRO 93 HD2 0.00 0.15 0.10 -0.04 3.68 3.89 2vbiE1 PRO 93 HD3 -0.03 0.24 0.14 -0.04 3.65 3.97 2vbiE1 VAL 94 H -0.00 0.41 0.05 -0.55 8.24 8.14 2vbiE1 VAL 94 HA 0.04 0.14 0.73 -0.75 4.13 4.29 2vbiE1 VAL 94 HB 0.00 -0.02 0.04 -0.04 2.12 2.11 2vbiE1 VAL 94 HG13 0.02 -0.05 -0.35 -0.04 0.97 0.55 2vbiE1 VAL 94 HG23 0.04 0.03 -0.31 -0.04 0.95 0.66 2vbiE1 ILE 95 H 0.03 0.78 0.33 -0.55 8.25 8.83 2vbiE1 ILE 95 HA 0.02 0.23 1.06 -0.75 4.18 4.74 2vbiE1 ILE 95 HB 0.01 0.02 0.19 -0.04 1.89 2.07 2vbiE1 ILE 95 HG12 -0.00 -0.05 -0.16 -0.04 1.49 1.23 2vbiE1 ILE 95 HG13 0.01 0.02 -0.40 -0.04 1.21 0.81 2vbiE1 ILE 95 HG23 -0.01 -0.04 -0.29 -0.04 0.93 0.55 2vbiE1 ILE 95 HD13 0.01 0.03 -0.06 -0.04 0.88 0.81 2vbiE1 LEU 96 H 0.04 0.70 0.31 -0.55 8.37 8.87 2vbiE1 LEU 96 HA 0.02 0.16 0.95 -0.75 4.35 4.72 2vbiE1 LEU 96 HB2 0.04 0.02 -0.02 -0.04 1.64 1.64 2vbiE1 LEU 96 HB3 0.11 0.02 0.17 -0.04 1.64 1.90 2vbiE1 LEU 96 HG 0.05 -0.05 -0.38 -0.04 1.64 1.22 2vbiE1 LEU 96 HD13 0.03 0.02 -0.14 -0.04 0.93 0.79 2vbiE1 LEU 96 HD23 0.13 -0.02 -0.17 -0.04 0.89 0.79 2vbiE1 ILE 97 H -0.01 0.87 0.41 -0.55 8.25 8.98 2vbiE1 ILE 97 HA -0.17 0.20 1.11 -0.75 4.18 4.56 2vbiE1 ILE 97 HB -0.02 -0.01 0.12 -0.04 1.89 1.94 2vbiE1 ILE 97 HG12 -0.05 -0.02 -0.14 -0.04 1.49 1.24 2vbiE1 ILE 97 HG13 -0.07 0.00 -0.35 -0.04 1.21 0.76 2vbiE1 ILE 97 HG23 -0.06 -0.03 -0.23 -0.04 0.93 0.57 2vbiE1 ILE 97 HD13 -0.03 0.05 -0.14 -0.04 0.88 0.72 2vbiE1 SER 98 H -0.24 0.87 0.38 -0.55 8.46 8.92 2vbiE1 SER 98 HA 0.03 0.16 1.01 -0.75 4.49 4.94 2vbiE1 SER 98 HB2 0.07 -0.05 -0.09 -0.04 3.95 3.84 2vbiE1 SER 98 HB3 0.00 -0.00 0.07 -0.04 3.93 3.96 2vbiE1 GLY 99 H 0.09 0.59 0.32 -0.55 8.43 8.88 2vbiE1 GLY 99 HA2 0.04 0.21 0.75 -0.51 4.01 4.50 2vbiE1 GLY 99 HA3 0.13 -0.10 0.14 -0.51 4.01 3.67 2vbiE1 ALA 100 H -0.04 0.48 0.41 -0.55 8.40 8.69 2vbiE1 ALA 100 HA -0.59 0.08 0.72 -0.75 4.34 3.80 2vbiE1 ALA 100 HB3 -0.14 0.01 -0.22 -0.04 1.41 1.02 2vbiE1 PRO 101 HA -0.22 0.01 0.47 -0.51 4.44 4.19 2vbiE1 PRO 101 HB2 -0.44 0.07 -0.06 -0.04 2.28 1.81 2vbiE1 PRO 101 HB3 -0.48 0.05 0.09 -0.04 2.02 1.64 2vbiE1 PRO 101 HG2 -1.95 0.06 0.03 -0.04 2.03 0.14 2vbiE1 PRO 101 HG3 -1.32 0.08 0.06 -0.04 2.03 0.80 2vbiE1 PRO 101 HD2 -0.94 0.12 0.16 -0.04 3.68 2.99 2vbiE1 PRO 101 HD3 -2.10 0.11 0.20 -0.04 3.65 1.82 2vbiE1 ASN 102 H 0.03 0.15 0.21 -0.55 8.53 8.37 2vbiE1 ASN 102 HA 0.01 -0.13 0.55 -0.75 4.76 4.44 2vbiE1 ASN 102 HB2 0.05 0.07 0.19 -0.04 2.88 3.16 2vbiE1 ASN 102 HB3 0.05 0.03 0.14 -0.04 2.79 2.97 2vbiE1 ASN 102 HD21 0.02 0.11 0.05 -0.04 7.03 7.17 2vbiE1 ASN 102 HD22 0.03 0.03 0.06 -0.04 7.74 7.82 2vbiE1 SER 103 H 0.01 0.09 0.22 -0.55 8.46 8.22 2vbiE1 SER 103 HA 0.03 0.11 0.42 -0.75 4.49 4.29 2vbiE1 SER 103 HB2 0.01 0.13 0.19 -0.04 3.95 4.24 2vbiE1 SER 103 HB3 0.01 -0.03 0.21 -0.04 3.93 4.07 2vbiE1 ASN 104 H 0.03 -0.02 -0.28 -0.55 8.53 7.72 2vbiE1 ASN 104 HA 0.02 0.21 0.53 -0.75 4.76 4.76 2vbiE1 ASN 104 HB2 0.04 -0.07 -0.00 -0.04 2.88 2.81 2vbiE1 ASN 104 HB3 0.04 0.09 0.08 -0.04 2.79 2.95 2vbiE1 ASN 104 HD21 0.02 0.06 0.01 -0.04 7.03 7.08 2vbiE1 ASN 104 HD22 0.03 -0.09 0.03 -0.04 7.74 7.66 2vbiE1 ASP 105 H 0.07 0.37 -0.43 -0.55 8.40 7.86 2vbiE1 ASP 105 HA 0.11 0.13 0.59 -0.75 4.63 4.71 2vbiE1 ASP 105 HB2 0.10 0.16 0.05 -0.04 2.71 2.98 2vbiE1 ASP 105 HB3 0.19 -0.02 -0.00 -0.04 2.70 2.83 2vbiE1 GLN 106 H 0.06 0.28 -0.29 -0.55 8.47 7.97 2vbiE1 GLN 106 HA -0.00 -0.07 0.39 -0.75 4.36 3.91 2vbiE1 GLN 106 HB2 0.04 -0.02 0.15 -0.04 2.15 2.28 2vbiE1 GLN 106 HB3 -0.01 0.12 0.12 -0.04 2.02 2.21 2vbiE1 GLN 106 HG2 -0.05 0.04 -0.06 -0.04 2.40 2.29 2vbiE1 GLN 106 HG3 -0.13 -0.11 0.08 -0.04 2.39 2.18 2vbiE1 GLN 106 HE21 0.05 -0.03 -0.05 -0.04 6.97 6.90 2vbiE1 GLN 106 HE22 0.08 -0.02 -0.03 -0.04 7.69 7.68 2vbiE1 GLY 107 H -0.09 0.07 0.23 -0.55 8.43 8.10 2vbiE1 GLY 107 HA2 -0.06 -0.03 0.35 -0.51 4.01 3.76 2vbiE1 GLY 107 HA3 -0.05 0.12 0.43 -0.51 4.01 3.99 2vbiE1 THR 108 H -0.08 0.28 -0.13 -0.55 8.28 7.81 2vbiE1 THR 108 HA -0.13 0.24 0.78 -0.75 4.39 4.53 2vbiE1 THR 108 HB -0.57 -0.02 0.09 -0.04 4.32 3.77 2vbiE1 THR 108 HG23 -0.14 0.04 -0.16 -0.04 1.22 0.93 2vbiE1 GLY 109 H -0.04 0.04 0.02 -0.55 8.43 7.90 2vbiE1 GLY 109 HA2 0.02 -0.03 0.30 -0.51 4.01 3.79 2vbiE1 GLY 109 HA3 0.00 0.15 0.63 -0.51 4.01 4.29 2vbiE1 HIS 110 H -0.04 0.01 -0.23 -0.55 8.41 7.61 2vbiE1 HIS 110 HA 0.05 0.07 0.51 -0.75 4.63 4.50 2vbiE1 HIS 110 HB2 0.08 -0.02 0.08 -0.04 3.26 3.36 2vbiE1 HIS 110 HB3 0.06 0.03 -0.11 -0.04 3.20 3.13 2vbiE1 HIS 110 HD2 0.03 0.05 -0.11 -0.04 6.97 6.90 2vbiE1 HIS 110 HE1 0.02 0.00 -0.02 -0.04 7.75 7.72 2vbiE1 ILE 111 H 0.13 0.14 0.16 -0.55 8.25 8.12 2vbiE1 ILE 111 HA 0.14 0.20 0.70 -0.75 4.18 4.47 2vbiE1 ILE 111 HB 0.07 -0.04 0.09 -0.04 1.89 1.97 2vbiE1 ILE 111 HG12 0.09 0.08 -0.33 -0.04 1.49 1.29 2vbiE1 ILE 111 HG13 0.10 0.03 -0.15 -0.04 1.21 1.15 2vbiE1 ILE 111 HG23 0.09 -0.02 -0.17 -0.04 0.93 0.78 2vbiE1 ILE 111 HD13 0.06 -0.01 0.01 -0.04 0.88 0.90 2vbiE1 LEU 112 H 0.11 0.18 0.06 -0.55 8.37 8.17 2vbiE1 LEU 112 HA 0.06 0.20 0.94 -0.75 4.35 4.79 2vbiE1 LEU 112 HB2 -0.14 -0.02 -0.01 -0.04 1.64 1.42 2vbiE1 LEU 112 HB3 -0.09 -0.01 0.04 -0.04 1.64 1.54 2vbiE1 LEU 112 HG 0.07 0.10 -0.43 -0.04 1.64 1.34 2vbiE1 LEU 112 HD13 -0.35 -0.03 -0.06 -0.04 0.93 0.45 2vbiE1 LEU 112 HD23 0.06 0.02 -0.10 -0.04 0.89 0.83 2vbiE1 HIS 113 H 0.16 0.11 0.14 -0.55 8.41 8.27 2vbiE1 HIS 113 HA 0.03 0.12 0.54 -0.75 4.63 4.57 2vbiE1 HIS 113 HB2 -0.20 0.01 0.13 -0.04 3.26 3.16 2vbiE1 HIS 113 HB3 -0.10 0.07 0.14 -0.04 3.20 3.26 2vbiE1 HIS 113 HD2 -1.63 0.01 -0.14 -0.04 6.97 5.16 2vbiE1 HIS 113 HE1 -0.50 0.00 0.00 -0.04 7.75 7.21 2vbiE1 HIS 114 H 0.25 0.18 0.19 -0.55 8.41 8.49 2vbiE1 HIS 114 HA 0.17 0.04 0.37 -0.75 4.63 4.45 2vbiE1 HIS 114 HB2 0.32 0.19 0.22 -0.04 3.26 3.96 2vbiE1 HIS 114 HB3 0.24 -0.01 0.30 -0.04 3.20 3.69 2vbiE1 HIS 114 HD2 0.38 -0.11 0.02 -0.04 6.97 7.21 2vbiE1 HIS 114 HE1 0.12 0.08 0.04 -0.04 7.75 7.94 2vbiE1 THR 115 H 0.20 0.24 -0.16 -0.55 8.28 8.02 2vbiE1 THR 115 HA 0.41 0.18 0.90 -0.75 4.39 5.12 2vbiE1 THR 115 HB 0.44 -0.11 0.18 -0.04 4.32 4.79 2vbiE1 THR 115 HG23 0.19 0.04 -0.21 -0.04 1.22 1.20 2vbiE1 ILE 116 H 0.12 0.13 0.15 -0.55 8.25 8.09 2vbiE1 ILE 116 HA 0.01 0.17 0.44 -0.75 4.18 4.04 2vbiE1 ILE 116 HB -0.11 0.08 0.15 -0.04 1.89 1.97 2vbiE1 ILE 116 HG12 -0.35 -0.08 0.13 -0.04 1.49 1.15 2vbiE1 ILE 116 HG13 -0.06 -0.06 -0.09 -0.04 1.21 0.96 2vbiE1 ILE 116 HG23 -0.33 0.00 0.00 -0.04 0.93 0.57 2vbiE1 ILE 116 HD13 -0.30 0.02 0.01 -0.04 0.88 0.56 2vbiE1 GLY 117 H 0.13 -0.01 -0.44 -0.55 8.43 7.56 2vbiE1 GLY 117 HA2 0.09 0.02 0.20 -0.51 4.01 3.81 2vbiE1 GLY 117 HA3 0.06 0.18 0.53 -0.51 4.01 4.26 2vbiE1 LYS 118 H 0.10 -0.07 -0.11 -0.55 8.42 7.79 2vbiE1 LYS 118 HA 0.06 0.22 0.72 -0.75 4.32 4.57 2vbiE1 LYS 118 HB2 0.10 -0.01 0.07 -0.04 1.87 1.99 2vbiE1 LYS 118 HB3 0.07 -0.14 0.12 -0.04 1.79 1.80 2vbiE1 LYS 118 HG2 0.03 0.06 0.02 -0.04 1.46 1.53 2vbiE1 LYS 118 HG3 0.03 0.05 -0.12 -0.04 1.46 1.37 2vbiE1 LYS 118 HD2 0.00 -0.03 -0.02 -0.04 1.69 1.59 2vbiE1 LYS 118 HD3 0.04 -0.05 -0.00 -0.04 1.68 1.62 2vbiE1 LYS 118 HE2 0.02 0.01 -0.00 -0.04 2.99 2.97 2vbiE1 LYS 118 HE3 0.00 0.05 -0.02 -0.04 2.99 2.98 2vbiE1 THR 119 H 0.07 0.12 0.14 -0.55 8.28 8.06 2vbiE1 THR 119 HA 0.11 0.22 0.12 -0.75 4.39 4.09 2vbiE1 THR 119 HB 0.04 -0.08 0.05 -0.04 4.32 4.29 2vbiE1 THR 119 HG23 0.05 0.05 0.05 -0.04 1.22 1.33 2vbiE1 ASP 120 H 0.07 0.03 -0.14 -0.55 8.40 7.82 2vbiE1 ASP 120 HA -0.19 0.24 0.94 -0.75 4.63 4.87 2vbiE1 ASP 120 HB2 -0.15 0.02 0.12 -0.04 2.71 2.66 2vbiE1 ASP 120 HB3 -0.03 0.05 -0.02 -0.04 2.70 2.66 2vbiE1 TYR 121 H -0.45 0.15 0.10 -0.55 8.29 7.53 2vbiE1 TYR 121 HA 0.29 0.11 0.76 -0.75 4.56 4.97 2vbiE1 TYR 121 HB2 0.15 -0.04 0.20 -0.04 3.06 3.32 2vbiE1 TYR 121 HB3 0.21 0.15 -0.13 -0.04 2.98 3.16 2vbiE1 TYR 121 HD2 -0.05 0.06 -0.17 -0.04 7.15 6.94 2vbiE1 TYR 121 HE2 -0.11 0.09 -0.08 -0.04 6.85 6.71 2vbiE1 SER 122 H -0.02 0.19 0.07 -0.55 8.46 8.16 2vbiE1 SER 122 HA 0.01 0.15 0.67 -0.75 4.49 4.56 2vbiE1 SER 122 HB2 -0.01 0.08 0.14 -0.04 3.95 4.11 2vbiE1 SER 122 HB3 -0.06 0.05 0.10 -0.04 3.93 3.97 2vbiE1 TYR 123 H 0.07 0.04 -0.44 -0.55 8.29 7.40 2vbiE1 TYR 123 HA 0.01 0.17 0.41 -0.75 4.56 4.40 2vbiE1 TYR 123 HB2 0.01 0.10 0.02 -0.04 3.06 3.15 2vbiE1 TYR 123 HB3 0.04 0.03 0.03 -0.04 2.98 3.04 2vbiE1 TYR 123 HD2 0.04 0.03 -0.12 -0.04 7.15 7.06 2vbiE1 TYR 123 HE2 0.06 0.02 0.08 -0.04 6.85 6.96 2vbiE1 GLN 124 H -0.67 0.17 -0.22 -0.55 8.47 7.21 2vbiE1 GLN 124 HA -0.15 0.11 0.34 -0.75 4.36 3.90 2vbiE1 GLN 124 HB2 -0.78 -0.02 0.11 -0.04 2.15 1.41 2vbiE1 GLN 124 HB3 -0.21 0.04 0.08 -0.04 2.02 1.89 2vbiE1 GLN 124 HG2 -0.13 0.09 -0.28 -0.04 2.40 2.03 2vbiE1 GLN 124 HG3 -0.23 0.02 -0.01 -0.04 2.39 2.13 2vbiE1 GLN 124 HE21 0.08 0.01 -0.02 -0.04 6.97 7.01 2vbiE1 GLN 124 HE22 0.39 0.10 -0.11 -0.04 7.69 8.04 2vbiE1 LEU 125 H -0.06 0.10 -0.23 -0.55 8.37 7.64 2vbiE1 LEU 125 HA -0.38 0.08 0.30 -0.75 4.35 3.59 2vbiE1 LEU 125 HB2 0.09 -0.05 -0.02 -0.04 1.64 1.62 2vbiE1 LEU 125 HB3 0.00 0.05 0.04 -0.04 1.64 1.69 2vbiE1 LEU 125 HG -0.01 0.07 -0.31 -0.04 1.64 1.36 2vbiE1 LEU 125 HD13 0.08 0.03 -0.23 -0.04 0.93 0.77 2vbiE1 LEU 125 HD23 0.06 -0.00 -0.09 -0.04 0.89 0.82 2vbiE1 GLU 126 H -0.04 0.26 -0.32 -0.55 8.60 7.96 2vbiE1 GLU 126 HA -0.04 0.09 0.42 -0.75 4.29 4.00 2vbiE1 GLU 126 HB2 0.02 0.03 0.12 -0.04 2.09 2.23 2vbiE1 GLU 126 HB3 0.00 0.03 -0.01 -0.04 1.99 1.97 2vbiE1 GLU 126 HG2 0.00 0.02 0.02 -0.04 2.34 2.34 2vbiE1 GLU 126 HG3 0.02 -0.04 -0.02 -0.04 2.34 2.25 2vbiE1 MET 127 H -0.05 0.38 -0.21 -0.55 8.47 8.04 2vbiE1 MET 127 HA -0.03 0.08 0.45 -0.75 4.52 4.26 2vbiE1 MET 127 HB2 -0.06 0.03 0.13 -0.04 2.15 2.22 2vbiE1 MET 127 HB3 -0.03 -0.01 -0.01 -0.04 2.03 1.93 2vbiE1 MET 127 HG2 0.02 0.02 -0.00 -0.04 2.63 2.62 2vbiE1 MET 127 HG3 0.05 0.08 0.03 -0.04 2.56 2.68 2vbiE1 MET 127 HE3 0.02 0.01 -0.04 -0.04 2.10 2.05 2vbiE1 ALA 128 H -0.26 0.44 -0.15 -0.55 8.40 7.88 2vbiE1 ALA 128 HA -0.18 0.03 0.31 -0.75 4.34 3.75 2vbiE1 ALA 128 HB3 -0.72 -0.01 -0.01 -0.04 1.41 0.64 2vbiE1 ARG 129 H -0.13 0.40 -0.31 -0.55 8.46 7.86 2vbiE1 ARG 129 HA -0.04 0.02 0.27 -0.75 4.34 3.84 2vbiE1 ARG 129 HB2 -0.04 0.13 0.07 -0.04 1.90 2.01 2vbiE1 ARG 129 HB3 -0.02 0.01 -0.06 -0.04 1.80 1.69 2vbiE1 ARG 129 HG2 -0.00 -0.04 -0.03 -0.04 1.67 1.55 2vbiE1 ARG 129 HG3 -0.05 0.18 0.01 -0.04 1.67 1.77 2vbiE1 ARG 129 HD2 -0.01 0.00 -0.03 -0.04 3.22 3.15 2vbiE1 ARG 129 HD3 0.01 0.02 -0.03 -0.04 3.22 3.17 2vbiE1 GLN 130 H -0.06 0.25 -0.39 -0.55 8.47 7.73 2vbiE1 GLN 130 HA -0.06 0.03 0.44 -0.75 4.36 4.02 2vbiE1 GLN 130 HB2 -0.05 0.24 0.16 -0.04 2.15 2.46 2vbiE1 GLN 130 HB3 -0.04 -0.03 -0.05 -0.04 2.02 1.85 2vbiE1 GLN 130 HG2 -0.02 -0.07 0.04 -0.04 2.40 2.30 2vbiE1 GLN 130 HG3 -0.03 -0.02 0.05 -0.04 2.39 2.35 2vbiE1 GLN 130 HE21 -0.02 -0.07 -0.02 -0.04 6.97 6.81 2vbiE1 GLN 130 HE22 -0.03 0.22 0.08 -0.04 7.69 7.91 2vbiE1 VAL 131 H -0.08 0.35 -0.41 -0.55 8.24 7.54 2vbiE1 VAL 131 HA -0.28 0.23 0.93 -0.75 4.13 4.26 2vbiE1 VAL 131 HB -0.13 -0.06 0.08 -0.04 2.12 1.97 2vbiE1 VAL 131 HG13 -0.05 -0.01 -0.14 -0.04 0.97 0.72 2vbiE1 VAL 131 HG23 -0.06 0.01 -0.04 -0.04 0.95 0.83 2vbiE1 THR 132 H -0.04 0.41 -0.13 -0.55 8.28 7.97 2vbiE1 THR 132 HA 0.20 0.25 0.85 -0.75 4.39 4.94 2vbiE1 THR 132 HB 0.09 -0.08 0.13 -0.04 4.32 4.41 2vbiE1 THR 132 HG23 0.06 -0.04 -0.37 -0.04 1.22 0.83 2vbiE1 CYS 133 H 0.11 0.62 0.24 -0.55 8.50 8.92 2vbiE1 CYS 133 HA 0.14 0.15 0.79 -0.75 4.58 4.91 2vbiE1 CYS 133 HB2 0.02 -0.04 0.05 -0.04 2.97 2.96 2vbiE1 CYS 133 HB3 0.02 0.03 -0.01 -0.04 2.97 2.97 2vbiE1 ALA 134 H 0.06 0.21 0.10 -0.55 8.40 8.23 2vbiE1 ALA 134 HA 0.09 0.10 0.49 -0.75 4.34 4.27 2vbiE1 ALA 134 HB3 -0.07 0.03 -0.05 -0.04 1.41 1.28 2vbiE1 ALA 135 H 0.14 0.27 0.06 -0.55 8.40 8.31 2vbiE1 ALA 135 HA 0.25 0.22 0.85 -0.75 4.34 4.91 2vbiE1 ALA 135 HB3 0.09 0.01 -0.14 -0.04 1.41 1.34 2vbiE1 GLU 136 H 0.18 0.63 0.30 -0.55 8.60 9.17 2vbiE1 GLU 136 HA 0.11 0.18 0.95 -0.75 4.29 4.77 2vbiE1 GLU 136 HB2 0.08 0.04 0.02 -0.04 2.09 2.18 2vbiE1 GLU 136 HB3 0.06 -0.05 -0.02 -0.04 1.99 1.95 2vbiE1 GLU 136 HG2 0.20 -0.05 -0.33 -0.04 2.34 2.11 2vbiE1 GLU 136 HG3 0.16 0.05 -0.02 -0.04 2.34 2.50 2vbiE1 SER 137 H 0.07 0.25 0.12 -0.55 8.46 8.36 2vbiE1 SER 137 HA 0.05 0.05 0.95 -0.75 4.49 4.79 2vbiE1 SER 137 HB2 0.12 0.01 -0.06 -0.04 3.95 3.97 2vbiE1 SER 137 HB3 0.05 0.02 0.11 -0.04 3.93 4.07 2vbiE1 ILE 138 H -0.01 0.81 0.23 -0.55 8.25 8.73 2vbiE1 ILE 138 HA -0.00 0.09 0.81 -0.75 4.18 4.32 2vbiE1 ILE 138 HB -0.03 0.11 0.31 -0.04 1.89 2.24 2vbiE1 ILE 138 HG12 -0.02 -0.02 -0.03 -0.04 1.49 1.38 2vbiE1 ILE 138 HG13 -0.01 -0.04 -0.13 -0.04 1.21 0.99 2vbiE1 ILE 138 HG23 -0.03 -0.02 -0.12 -0.04 0.93 0.72 2vbiE1 ILE 138 HD13 -0.03 0.02 -0.04 -0.04 0.88 0.79 2vbiE1 THR 139 H -0.00 0.10 0.24 -0.55 8.28 8.07 2vbiE1 THR 139 HA -0.00 0.08 0.85 -0.75 4.39 4.56 2vbiE1 THR 139 HB 0.01 0.03 -0.28 -0.04 4.32 4.04 2vbiE1 THR 139 HG23 0.01 0.02 -0.08 -0.04 1.22 1.12 2vbiE1 ASP 140 H -0.00 0.14 0.21 -0.55 8.40 8.19 2vbiE1 ASP 140 HA 0.01 0.17 0.51 -0.75 4.63 4.57 2vbiE1 ASP 140 HB2 0.13 0.01 0.17 -0.04 2.71 2.97 2vbiE1 ASP 140 HB3 0.04 0.18 -0.04 -0.04 2.70 2.84 2vbiE1 ALA 141 H -0.06 0.23 0.17 -0.55 8.40 8.19 2vbiE1 ALA 141 HA -0.11 0.12 0.43 -0.75 4.34 4.02 2vbiE1 ALA 141 HB3 -0.25 0.08 0.12 -0.04 1.41 1.32 2vbiE1 HIS 142 H -0.05 0.03 -0.08 -0.55 8.41 7.76 2vbiE1 HIS 142 HA -0.04 0.00 0.41 -0.75 4.63 4.24 2vbiE1 HIS 142 HB2 -0.02 0.00 0.08 -0.04 3.26 3.28 2vbiE1 HIS 142 HB3 -0.02 0.00 0.06 -0.04 3.20 3.20 2vbiE1 HIS 142 HD2 -0.01 0.06 0.01 -0.04 6.97 6.98 2vbiE1 HIS 142 HE1 -0.01 0.02 0.05 -0.04 7.75 7.76 2vbiE1 SER 143 H 0.05 0.07 -0.17 -0.55 8.46 7.86 2vbiE1 SER 143 HA 0.00 0.21 0.62 -0.75 4.49 4.56 2vbiE1 SER 143 HB2 -0.00 0.05 0.12 -0.04 3.95 4.08 2vbiE1 SER 143 HB3 0.02 0.02 0.05 -0.04 3.93 3.97 2vbiE1 ALA 144 H -0.07 0.18 -0.51 -0.55 8.40 7.45 2vbiE1 ALA 144 HA -0.06 -0.05 0.31 -0.75 4.34 3.80 2vbiE1 ALA 144 HB3 -0.12 0.07 0.09 -0.04 1.41 1.41 2vbiE1 PRO 145 HA -0.56 0.08 0.43 -0.51 4.44 3.88 2vbiE1 PRO 145 HB2 -0.11 0.00 0.01 -0.04 2.28 2.14 2vbiE1 PRO 145 HB3 -0.30 0.09 -0.02 -0.04 2.02 1.76 2vbiE1 PRO 145 HG2 -0.19 0.04 0.06 -0.04 2.03 1.89 2vbiE1 PRO 145 HG3 -0.67 0.10 0.03 -0.04 2.03 1.44 2vbiE1 PRO 145 HD2 -0.14 0.22 -0.14 -0.04 3.68 3.58 2vbiE1 PRO 145 HD3 -0.25 0.21 0.14 -0.04 3.65 3.70 2vbiE1 ALA 146 H -0.04 0.18 -0.24 -0.55 8.40 7.75 2vbiE1 ALA 146 HA 0.04 0.08 0.33 -0.75 4.34 4.04 2vbiE1 ALA 146 HB3 0.00 0.03 0.07 -0.04 1.41 1.47 2vbiE1 LYS 147 H 0.00 0.41 -0.15 -0.55 8.42 8.12 2vbiE1 LYS 147 HA 0.08 0.04 0.44 -0.75 4.32 4.13 2vbiE1 LYS 147 HB2 0.01 0.08 0.09 -0.04 1.87 2.01 2vbiE1 LYS 147 HB3 0.04 -0.07 -0.07 -0.04 1.79 1.65 2vbiE1 LYS 147 HG2 0.01 0.00 -0.01 -0.04 1.46 1.43 2vbiE1 LYS 147 HG3 0.00 0.17 0.02 -0.04 1.46 1.61 2vbiE1 LYS 147 HD2 0.02 -0.06 -0.23 -0.04 1.69 1.38 2vbiE1 LYS 147 HD3 0.03 -0.05 -0.03 -0.04 1.68 1.59 2vbiE1 LYS 147 HE2 -0.00 -0.02 -0.09 -0.04 2.99 2.84 2vbiE1 LYS 147 HE3 0.01 0.03 0.05 -0.04 2.99 3.03 2vbiE1 ILE 148 H 0.03 0.62 -0.05 -0.55 8.25 8.30 2vbiE1 ILE 148 HA 0.06 -0.02 0.35 -0.75 4.18 3.81 2vbiE1 ILE 148 HB 0.17 0.10 0.11 -0.04 1.89 2.23 2vbiE1 ILE 148 HG12 0.05 -0.04 -0.05 -0.04 1.49 1.41 2vbiE1 ILE 148 HG13 0.01 -0.03 0.01 -0.04 1.21 1.16 2vbiE1 ILE 148 HG23 0.18 0.01 -0.19 -0.04 0.93 0.88 2vbiE1 ILE 148 HD13 0.06 -0.03 -0.16 -0.04 0.88 0.71 2vbiE1 ASP 149 H 0.14 0.64 -0.09 -0.55 8.40 8.54 2vbiE1 ASP 149 HA 0.08 0.04 0.36 -0.75 4.63 4.36 2vbiE1 ASP 149 HB2 0.11 0.06 0.09 -0.04 2.71 2.93 2vbiE1 ASP 149 HB3 0.09 -0.01 -0.00 -0.04 2.70 2.74 2vbiE1 HIS 150 H 0.16 0.46 -0.26 -0.55 8.41 8.23 2vbiE1 HIS 150 HA 0.03 0.03 0.44 -0.75 4.63 4.38 2vbiE1 HIS 150 HB2 0.02 0.01 0.11 -0.04 3.26 3.36 2vbiE1 HIS 150 HB3 0.03 0.06 0.19 -0.04 3.20 3.43 2vbiE1 HIS 150 HD2 0.03 -0.06 -0.12 -0.04 6.97 6.78 2vbiE1 HIS 150 HE1 0.02 0.03 -0.01 -0.04 7.75 7.75 2vbiE1 VAL 151 H 0.06 0.53 -0.06 -0.55 8.24 8.22 2vbiE1 VAL 151 HA -0.20 0.01 0.33 -0.75 4.13 3.51 2vbiE1 VAL 151 HB -0.00 -0.06 -0.07 -0.04 2.12 1.95 2vbiE1 VAL 151 HG13 0.08 0.07 -0.04 -0.04 0.97 1.03 2vbiE1 VAL 151 HG23 0.01 0.04 -0.13 -0.04 0.95 0.82 2vbiE1 ILE 152 H -0.00 0.51 -0.15 -0.55 8.25 8.07 2vbiE1 ILE 152 HA -0.02 0.03 0.36 -0.75 4.18 3.80 2vbiE1 ILE 152 HB 0.01 0.06 0.09 -0.04 1.89 2.01 2vbiE1 ILE 152 HG12 -0.00 -0.01 -0.06 -0.04 1.49 1.38 2vbiE1 ILE 152 HG13 0.01 -0.04 -0.01 -0.04 1.21 1.12 2vbiE1 ILE 152 HG23 -0.00 0.02 -0.17 -0.04 0.93 0.73 2vbiE1 ILE 152 HD13 0.01 -0.01 -0.17 -0.04 0.88 0.67 2vbiE1 ARG 153 H -0.02 0.58 -0.06 -0.55 8.46 8.41 2vbiE1 ARG 153 HA -0.02 0.17 0.44 -0.75 4.34 4.19 2vbiE1 ARG 153 HB2 0.00 0.09 0.18 -0.04 1.90 2.12 2vbiE1 ARG 153 HB3 -0.00 -0.05 0.03 -0.04 1.80 1.74 2vbiE1 ARG 153 HG2 0.00 0.21 0.12 -0.04 1.67 1.97 2vbiE1 ARG 153 HG3 0.02 0.00 0.10 -0.04 1.67 1.75 2vbiE1 ARG 153 HD2 0.03 -0.07 -0.02 -0.04 3.22 3.12 2vbiE1 ARG 153 HD3 0.02 0.00 -0.00 -0.04 3.22 3.19 2vbiE1 THR 154 H -0.14 0.52 -0.19 -0.55 8.28 7.92 2vbiE1 THR 154 HA -0.07 0.01 0.43 -0.75 4.39 4.01 2vbiE1 THR 154 HB -0.22 0.02 0.05 -0.04 4.32 4.12 2vbiE1 THR 154 HG23 -0.07 0.00 -0.12 -0.04 1.22 1.00 2vbiE1 ALA 155 H -0.07 0.54 -0.15 -0.55 8.40 8.18 2vbiE1 ALA 155 HA -0.05 0.06 0.34 -0.75 4.34 3.94 2vbiE1 ALA 155 HB3 -0.03 -0.00 0.08 -0.04 1.41 1.41 2vbiE1 LEU 156 H -0.03 0.54 -0.12 -0.55 8.37 8.21 2vbiE1 LEU 156 HA -0.02 0.08 0.36 -0.75 4.35 4.02 2vbiE1 LEU 156 HB2 -0.02 0.10 0.11 -0.04 1.64 1.79 2vbiE1 LEU 156 HB3 -0.01 -0.06 -0.01 -0.04 1.64 1.51 2vbiE1 LEU 156 HG -0.01 0.13 0.06 -0.04 1.64 1.77 2vbiE1 LEU 156 HD13 -0.01 -0.00 -0.19 -0.04 0.93 0.69 2vbiE1 LEU 156 HD23 -0.00 -0.01 -0.02 -0.04 0.89 0.82 2vbiE1 ARG 157 H -0.03 0.53 -0.10 -0.55 8.46 8.31 2vbiE1 ARG 157 HA -0.02 -0.03 0.43 -0.75 4.34 3.96 2vbiE1 ARG 157 HB2 -0.01 0.01 0.13 -0.04 1.90 1.98 2vbiE1 ARG 157 HB3 -0.03 0.05 0.19 -0.04 1.80 1.98 2vbiE1 ARG 157 HG2 -0.02 -0.01 -0.21 -0.04 1.67 1.39 2vbiE1 ARG 157 HG3 -0.01 -0.09 0.06 -0.04 1.67 1.58 2vbiE1 ARG 157 HD2 -0.00 -0.12 0.03 -0.04 3.22 3.08 2vbiE1 ARG 157 HD3 -0.00 0.25 0.10 -0.04 3.22 3.52 2vbiE1 GLU 158 H -0.05 0.55 -0.14 -0.55 8.60 8.42 2vbiE1 GLU 158 HA -0.05 0.06 0.54 -0.75 4.29 4.08 2vbiE1 GLU 158 HB2 -0.07 0.17 0.06 -0.04 2.09 2.21 2vbiE1 GLU 158 HB3 -0.09 -0.06 -0.01 -0.04 1.99 1.79 2vbiE1 GLU 158 HG2 -0.04 -0.03 -0.04 -0.04 2.34 2.19 2vbiE1 GLU 158 HG3 -0.03 0.01 0.00 -0.04 2.34 2.28 2vbiE1 ARG 159 H -0.06 0.29 -0.34 -0.55 8.46 7.80 2vbiE1 ARG 159 HA -0.06 0.05 0.29 -0.75 4.34 3.86 2vbiE1 ARG 159 HB2 -0.08 0.02 -0.04 -0.04 1.90 1.76 2vbiE1 ARG 159 HB3 -0.07 0.12 0.23 -0.04 1.80 2.04 2vbiE1 ARG 159 HG2 -0.05 0.01 0.16 -0.04 1.67 1.75 2vbiE1 ARG 159 HG3 -0.04 0.02 0.15 -0.04 1.67 1.75 2vbiE1 ARG 159 HD2 -0.04 0.28 -0.10 -0.04 3.22 3.32 2vbiE1 ARG 159 HD3 -0.05 -0.11 -0.24 -0.04 3.22 2.79 2vbiE1 LYS 160 H -0.10 0.44 -0.01 -0.55 8.42 8.20 2vbiE1 LYS 160 HA -0.25 0.16 0.54 -0.75 4.32 4.02 2vbiE1 LYS 160 HB2 -0.16 -0.10 -0.11 -0.04 1.87 1.46 2vbiE1 LYS 160 HB3 -0.41 -0.03 0.02 -0.04 1.79 1.33 2vbiE1 LYS 160 HG2 -0.26 0.29 -0.71 -0.04 1.46 0.74 2vbiE1 LYS 160 HG3 -0.33 -0.12 -0.12 -0.04 1.46 0.85 2vbiE1 LYS 160 HD2 -2.03 -0.13 0.01 -0.04 1.69 -0.49 2vbiE1 LYS 160 HD3 -0.65 0.11 0.18 -0.04 1.68 1.27 2vbiE1 LYS 160 HE2 -0.25 0.19 0.02 -0.04 2.99 2.90 2vbiE1 LYS 160 HE3 -0.31 -0.13 -0.01 -0.04 2.99 2.50 2vbiE1 PRO 161 HA -0.01 0.15 0.70 -0.51 4.44 4.77 2vbiE1 PRO 161 HB2 0.02 -0.05 0.12 -0.04 2.28 2.33 2vbiE1 PRO 161 HB3 -0.01 -0.08 0.25 -0.04 2.02 2.14 2vbiE1 PRO 161 HG2 0.13 0.09 0.19 -0.04 2.03 2.40 2vbiE1 PRO 161 HG3 0.02 0.13 0.18 -0.04 2.03 2.32 2vbiE1 PRO 161 HD2 -0.13 0.05 0.19 -0.04 3.68 3.76 2vbiE1 PRO 161 HD3 -0.09 0.22 -0.18 -0.04 3.65 3.56 2vbiE1 ALA 162 H 0.03 0.54 0.45 -0.55 8.40 8.87 2vbiE1 ALA 162 HA 0.07 0.11 0.91 -0.75 4.34 4.67 2vbiE1 ALA 162 HB3 0.01 -0.00 0.01 -0.04 1.41 1.38 2vbiE1 TYR 163 H 0.16 0.58 0.38 -0.55 8.29 8.86 2vbiE1 TYR 163 HA 0.01 0.27 1.13 -0.75 4.56 5.21 2vbiE1 TYR 163 HB2 0.00 0.04 -0.08 -0.04 3.06 2.98 2vbiE1 TYR 163 HB3 0.01 0.03 0.11 -0.04 2.98 3.09 2vbiE1 TYR 163 HD2 0.01 -0.04 -0.15 -0.04 7.15 6.92 2vbiE1 TYR 163 HE2 0.00 -0.09 -0.21 -0.04 6.85 6.51 2vbiE1 LEU 164 H -0.46 0.77 0.44 -0.55 8.37 8.57 2vbiE1 LEU 164 HA -0.23 0.26 1.04 -0.75 4.35 4.66 2vbiE1 LEU 164 HB2 -0.13 0.06 -0.04 -0.04 1.64 1.49 2vbiE1 LEU 164 HB3 -0.14 -0.07 -0.13 -0.04 1.64 1.25 2vbiE1 LEU 164 HG -0.03 0.06 -0.18 -0.04 1.64 1.45 2vbiE1 LEU 164 HD13 -0.02 -0.01 -0.12 -0.04 0.93 0.74 2vbiE1 LEU 164 HD23 -0.03 0.02 -0.04 -0.04 0.89 0.81 2vbiE1 ASP 165 H -0.17 0.59 0.41 -0.55 8.40 8.68 2vbiE1 ASP 165 HA -0.15 0.23 0.88 -0.75 4.63 4.84 2vbiE1 ASP 165 HB2 0.03 -0.05 0.39 -0.04 2.71 3.04 2vbiE1 ASP 165 HB3 0.01 -0.02 -0.14 -0.04 2.70 2.52 2vbiE1 ILE 166 H -0.04 0.68 0.17 -0.55 8.25 8.51 2vbiE1 ILE 166 HA -0.03 0.17 0.73 -0.75 4.18 4.30 2vbiE1 ILE 166 HB -0.02 -0.01 0.05 -0.04 1.89 1.86 2vbiE1 ILE 166 HG12 -0.03 0.02 -0.05 -0.04 1.49 1.39 2vbiE1 ILE 166 HG13 -0.05 -0.06 -0.64 -0.04 1.21 0.42 2vbiE1 ILE 166 HG23 -0.02 0.02 -0.14 -0.04 0.93 0.75 2vbiE1 ILE 166 HD13 -0.03 0.01 -0.15 -0.04 0.88 0.67 2vbiE1 ALA 167 H -0.02 0.57 0.15 -0.55 8.40 8.55 2vbiE1 ALA 167 HA -0.07 0.17 0.48 -0.75 4.34 4.16 2vbiE1 ALA 167 HB3 -0.02 -0.04 0.16 -0.04 1.41 1.47 2vbiE1 CYS 168 H 0.00 0.61 0.23 -0.55 8.50 8.79 2vbiE1 CYS 168 HA 0.04 0.10 0.37 -0.75 4.58 4.33 2vbiE1 CYS 168 HB2 0.07 -0.02 0.11 -0.04 2.97 3.09 2vbiE1 CYS 168 HB3 0.15 0.18 0.31 -0.04 2.97 3.58 2vbiE1 ASN 169 H 0.02 0.00 -0.15 -0.55 8.53 7.85 2vbiE1 ASN 169 HA 0.01 0.17 0.46 -0.75 4.76 4.65 2vbiE1 ASN 169 HB2 0.01 0.12 0.13 -0.04 2.88 3.10 2vbiE1 ASN 169 HB3 0.02 -0.01 0.13 -0.04 2.79 2.88 2vbiE1 ASN 169 HD21 0.01 0.01 0.01 -0.04 7.03 7.02 2vbiE1 ASN 169 HD22 0.01 0.13 -0.02 -0.04 7.74 7.82 2vbiE1 ILE 170 H -0.00 0.51 -0.45 -0.55 8.25 7.76 2vbiE1 ILE 170 HA -0.02 0.20 0.84 -0.75 4.18 4.45 2vbiE1 ILE 170 HB -0.01 0.04 -0.03 -0.04 1.89 1.84 2vbiE1 ILE 170 HG12 -0.02 -0.10 -0.11 -0.04 1.49 1.22 2vbiE1 ILE 170 HG13 -0.01 0.10 -0.19 -0.04 1.21 1.08 2vbiE1 ILE 170 HG23 -0.04 -0.01 -0.26 -0.04 0.93 0.59 2vbiE1 ILE 170 HD13 0.00 -0.05 -0.26 -0.04 0.88 0.53 2vbiE1 ALA 171 H -0.01 0.29 -0.11 -0.55 8.40 8.02 2vbiE1 ALA 171 HA -0.03 0.02 0.34 -0.75 4.34 3.92 2vbiE1 ALA 171 HB3 -0.01 0.04 -0.03 -0.04 1.41 1.36 2vbiE1 SER 172 H -0.02 0.12 -0.50 -0.55 8.46 7.52 2vbiE1 SER 172 HA -0.03 0.11 0.48 -0.75 4.49 4.30 2vbiE1 SER 172 HB2 -0.01 0.04 -0.06 -0.04 3.95 3.87 2vbiE1 SER 172 HB3 -0.01 0.05 -0.05 -0.04 3.93 3.87 2vbiE1 GLU 173 H -0.03 0.35 -0.30 -0.55 8.60 8.08 2vbiE1 GLU 173 HA -0.02 0.10 0.35 -0.75 4.29 3.96 2vbiE1 GLU 173 HB2 -0.05 0.07 0.19 -0.04 2.09 2.26 2vbiE1 GLU 173 HB3 -0.07 0.07 0.09 -0.04 1.99 2.04 2vbiE1 GLU 173 HG2 -0.02 0.09 0.14 -0.04 2.34 2.51 2vbiE1 GLU 173 HG3 -0.03 -0.16 0.09 -0.04 2.34 2.19 2vbiE1 PRO 174 HA 0.01 0.31 0.47 -0.51 4.44 4.72 2vbiE1 PRO 174 HB2 -0.02 -0.06 -0.01 -0.04 2.28 2.15 2vbiE1 PRO 174 HB3 0.02 0.06 0.09 -0.04 2.02 2.14 2vbiE1 PRO 174 HG2 -0.00 -0.01 0.08 -0.04 2.03 2.06 2vbiE1 PRO 174 HG3 0.00 0.09 0.07 -0.04 2.03 2.16 2vbiE1 PRO 174 HD2 -0.03 -0.01 0.21 -0.04 3.68 3.81 2vbiE1 PRO 174 HD3 -0.01 0.15 0.21 -0.04 3.65 3.96 2vbiE1 CYS 175 H 0.09 0.65 0.32 -0.55 8.50 9.02 2vbiE1 CYS 175 HA -0.04 -0.01 0.71 -0.75 4.58 4.48 2vbiE1 CYS 175 HB2 -0.03 -0.04 -0.38 -0.04 2.97 2.48 2vbiE1 CYS 175 HB3 0.13 0.07 -0.43 -0.04 2.97 2.71 2vbiE1 VAL 176 H -0.01 0.04 0.10 -0.55 8.24 7.82 2vbiE1 VAL 176 HA 0.03 0.08 0.60 -0.75 4.13 4.08 2vbiE1 VAL 176 HB 0.04 0.08 0.10 -0.04 2.12 2.30 2vbiE1 VAL 176 HG13 0.01 -0.01 0.04 -0.04 0.97 0.97 2vbiE1 VAL 176 HG23 0.03 -0.00 -0.07 -0.04 0.95 0.86 2vbiE1 ARG 177 H -0.05 0.08 0.13 -0.55 8.46 8.07 2vbiE1 ARG 177 HA -0.14 0.17 0.64 -0.75 4.34 4.25 2vbiE1 ARG 177 HB2 -0.21 -0.07 0.05 -0.04 1.90 1.62 2vbiE1 ARG 177 HB3 -0.34 0.17 -0.03 -0.04 1.80 1.56 2vbiE1 ARG 177 HG2 -1.87 0.03 -0.04 -0.04 1.67 -0.25 2vbiE1 ARG 177 HG3 -0.64 -0.04 -0.06 -0.04 1.67 0.89 2vbiE1 ARG 177 HD2 -0.23 -0.03 -0.01 -0.04 3.22 2.91 2vbiE1 ARG 177 HD3 -0.34 0.05 -0.02 -0.04 3.22 2.87 2vbiE1 PRO 178 HA 0.01 -0.00 0.53 -0.51 4.44 4.47 2vbiE1 PRO 178 HB2 -0.24 0.17 -0.08 -0.04 2.28 2.10 2vbiE1 PRO 178 HB3 -0.80 -0.03 0.03 -0.04 2.02 1.18 2vbiE1 PRO 178 HG2 -0.16 0.07 0.00 -0.04 2.03 1.90 2vbiE1 PRO 178 HG3 -0.39 0.05 0.04 -0.04 2.03 1.69 2vbiE1 PRO 178 HD2 -0.13 0.07 0.16 -0.04 3.68 3.74 2vbiE1 PRO 178 HD3 0.02 0.11 0.17 -0.04 3.65 3.90 2vbiE1 GLY 179 H -0.01 0.03 0.11 -0.55 8.43 8.01 2vbiE1 GLY 179 HA2 -0.03 0.10 0.51 -0.51 4.01 4.07 2vbiE1 GLY 179 HA3 -0.01 -0.00 0.31 -0.51 4.01 3.79 2vbiE1 PRO 180 HA -0.03 0.10 0.48 -0.51 4.44 4.48 2vbiE1 PRO 180 HB2 -0.02 0.05 -0.07 -0.04 2.28 2.20 2vbiE1 PRO 180 HB3 -0.02 0.03 0.08 -0.04 2.02 2.07 2vbiE1 PRO 180 HG2 -0.01 0.00 0.06 -0.04 2.03 2.03 2vbiE1 PRO 180 HG3 -0.02 0.02 0.05 -0.04 2.03 2.05 2vbiE1 PRO 180 HD2 -0.02 0.03 0.21 -0.04 3.68 3.86 2vbiE1 PRO 180 HD3 -0.03 0.14 0.15 -0.04 3.65 3.88 2vbiE1 VAL 181 H -0.02 0.26 0.14 -0.55 8.24 8.07 2vbiE1 VAL 181 HA -0.01 0.14 0.81 -0.75 4.13 4.31 2vbiE1 VAL 181 HB -0.01 0.00 -0.08 -0.04 2.12 1.99 2vbiE1 VAL 181 HG13 -0.01 0.03 -0.29 -0.04 0.97 0.66 2vbiE1 VAL 181 HG23 -0.02 0.01 -0.24 -0.04 0.95 0.67 2vbiE1 SER 182 H -0.00 0.12 0.11 -0.55 8.46 8.14 2vbiE1 SER 182 HA -0.00 0.07 0.61 -0.75 4.49 4.42 2vbiE1 SER 182 HB2 -0.00 -0.05 0.18 -0.04 3.95 4.05 2vbiE1 SER 182 HB3 -0.00 0.08 0.06 -0.04 3.93 4.03 2vbiE1 SER 183 H -0.00 0.23 0.08 -0.55 8.46 8.22 2vbiE1 SER 183 HA -0.01 0.21 0.46 -0.75 4.49 4.40 2vbiE1 SER 183 HB2 -0.00 0.16 0.02 -0.04 3.95 4.08 2vbiE1 SER 183 HB3 -0.00 -0.01 -0.06 -0.04 3.93 3.82 2vbiE1 LEU 184 H -0.01 0.31 0.09 -0.55 8.37 8.22 2vbiE1 LEU 184 HA -0.00 0.10 0.70 -0.75 4.35 4.40 2vbiE1 LEU 184 HB2 -0.01 0.12 -0.02 -0.04 1.64 1.69 2vbiE1 LEU 184 HB3 -0.01 0.02 -0.05 -0.04 1.64 1.56 2vbiE1 LEU 184 HG -0.00 -0.06 -0.03 -0.04 1.64 1.50 2vbiE1 LEU 184 HD13 -0.01 -0.01 -0.12 -0.04 0.93 0.75 2vbiE1 LEU 184 HD23 -0.02 -0.00 -0.14 -0.04 0.89 0.68 2vbiE1 LEU 185 H -0.00 0.04 -0.16 -0.55 8.37 7.71 2vbiE1 LEU 185 HA -0.01 0.16 0.78 -0.75 4.35 4.52 2vbiE1 LEU 185 HB2 -0.01 0.08 0.02 -0.04 1.64 1.69 2vbiE1 LEU 185 HB3 -0.01 -0.04 0.10 -0.04 1.64 1.66 2vbiE1 LEU 185 HG -0.01 -0.12 -0.33 -0.04 1.64 1.14 2vbiE1 LEU 185 HD13 -0.01 0.03 -0.19 -0.04 0.93 0.71 2vbiE1 LEU 185 HD23 -0.01 0.02 -0.01 -0.04 0.89 0.84 2vbiE1 SER 186 H -0.00 0.29 0.01 -0.55 8.46 8.21 2vbiE1 SER 186 HA 0.00 0.08 0.58 -0.75 4.49 4.40 2vbiE1 SER 186 HB2 0.01 0.01 0.01 -0.04 3.95 3.94 2vbiE1 SER 186 HB3 0.01 0.05 -0.14 -0.04 3.93 3.80 2vbiE1 GLU 187 H 0.00 0.09 0.02 -0.55 8.60 8.16 2vbiE1 GLU 187 HA -0.00 0.16 0.62 -0.75 4.29 4.32 2vbiE1 GLU 187 HB2 0.01 0.02 -0.05 -0.04 2.09 2.03 2vbiE1 GLU 187 HB3 0.00 0.05 0.13 -0.04 1.99 2.13 2vbiE1 GLU 187 HG2 0.00 -0.08 0.04 -0.04 2.34 2.25 2vbiE1 GLU 187 HG3 0.01 -0.05 0.03 -0.04 2.34 2.29 2vbiE1 PRO 188 HA 0.01 0.04 0.53 -0.51 4.44 4.52 2vbiE1 PRO 188 HB2 0.01 0.09 -0.05 -0.04 2.28 2.28 2vbiE1 PRO 188 HB3 0.00 0.00 0.09 -0.04 2.02 2.08 2vbiE1 PRO 188 HG2 -0.01 -0.01 -0.01 -0.04 2.03 1.95 2vbiE1 PRO 188 HG3 -0.01 0.03 0.04 -0.04 2.03 2.06 2vbiE1 PRO 188 HD2 -0.00 0.08 0.19 -0.04 3.68 3.91 2vbiE1 PRO 188 HD3 -0.00 0.19 0.17 -0.04 3.65 3.96 2vbiE1 GLU 189 H 0.02 0.06 0.14 -0.55 8.60 8.27 2vbiE1 GLU 189 HA 0.03 0.04 0.37 -0.75 4.29 3.97 2vbiE1 GLU 189 HB2 0.05 0.01 0.07 -0.04 2.09 2.18 2vbiE1 GLU 189 HB3 0.03 0.02 0.13 -0.04 1.99 2.13 2vbiE1 GLU 189 HG2 0.03 -0.04 0.12 -0.04 2.34 2.40 2vbiE1 GLU 189 HG3 0.04 0.01 -0.07 -0.04 2.34 2.28 2vbiE1 ILE 190 H 0.01 0.05 0.19 -0.55 8.25 7.95 2vbiE1 ILE 190 HA 0.01 0.24 0.50 -0.75 4.18 4.18 2vbiE1 ILE 190 HB 0.00 -0.01 0.14 -0.04 1.89 1.99 2vbiE1 ILE 190 HG12 0.01 0.08 0.05 -0.04 1.49 1.58 2vbiE1 ILE 190 HG13 -0.07 -0.05 -0.00 -0.04 1.21 1.05 2vbiE1 ILE 190 HG23 -0.07 -0.01 0.11 -0.04 0.93 0.92 2vbiE1 ILE 190 HD13 -0.74 -0.03 -0.43 -0.04 0.88 -0.36 2vbiE1 ASP 191 H 0.05 0.76 0.37 -0.55 8.40 9.03 2vbiE1 ASP 191 HA 0.05 0.05 0.77 -0.75 4.63 4.74 2vbiE1 ASP 191 HB2 0.06 0.13 0.24 -0.04 2.71 3.09 2vbiE1 ASP 191 HB3 0.13 0.05 0.29 -0.04 2.70 3.12 2vbiE1 HIS 192 H 0.14 0.25 0.19 -0.55 8.41 8.44 2vbiE1 HIS 192 HA 0.02 0.09 0.26 -0.75 4.63 4.25 2vbiE1 HIS 192 HB2 0.02 0.01 0.13 -0.04 3.26 3.39 2vbiE1 HIS 192 HB3 0.01 0.03 0.02 -0.04 3.20 3.22 2vbiE1 HIS 192 HD2 -0.01 0.00 -0.02 -0.04 6.97 6.90 2vbiE1 HIS 192 HE1 0.02 0.01 0.02 -0.04 7.75 7.76 2vbiE1 THR 193 H 0.11 0.09 -0.06 -0.55 8.28 7.87 2vbiE1 THR 193 HA 0.08 0.11 0.50 -0.75 4.39 4.32 2vbiE1 THR 193 HB 0.08 -0.02 0.07 -0.04 4.32 4.41 2vbiE1 THR 193 HG23 0.07 0.02 -0.05 -0.04 1.22 1.22 2vbiE1 SER 194 H 0.12 0.10 -0.22 -0.55 8.46 7.91 2vbiE1 SER 194 HA 0.22 0.07 0.42 -0.75 4.49 4.44 2vbiE1 SER 194 HB2 0.17 -0.07 0.13 -0.04 3.95 4.14 2vbiE1 SER 194 HB3 0.30 0.13 0.08 -0.04 3.93 4.40 2vbiE1 LEU 195 H 0.05 0.51 -0.11 -0.55 8.37 8.27 2vbiE1 LEU 195 HA -0.77 0.04 0.34 -0.75 4.35 3.21 2vbiE1 LEU 195 HB2 -0.17 0.14 0.02 -0.04 1.64 1.58 2vbiE1 LEU 195 HB3 -0.13 0.05 -0.01 -0.04 1.64 1.51 2vbiE1 LEU 195 HG -0.38 -0.04 -0.12 -0.04 1.64 1.05 2vbiE1 LEU 195 HD13 -0.12 0.01 -0.12 -0.04 0.93 0.66 2vbiE1 LEU 195 HD23 -0.47 0.00 -0.14 -0.04 0.89 0.23 2vbiE1 LYS 196 H -0.01 0.49 -0.22 -0.55 8.42 8.12 2vbiE1 LYS 196 HA -0.05 0.03 0.31 -0.75 4.32 3.86 2vbiE1 LYS 196 HB2 0.02 0.06 0.14 -0.04 1.87 2.05 2vbiE1 LYS 196 HB3 0.02 0.08 0.14 -0.04 1.79 1.99 2vbiE1 LYS 196 HG2 -0.01 -0.03 -0.07 -0.04 1.46 1.30 2vbiE1 LYS 196 HG3 -0.01 -0.00 0.03 -0.04 1.46 1.44 2vbiE1 LYS 196 HD2 0.01 -0.02 -0.01 -0.04 1.69 1.63 2vbiE1 LYS 196 HD3 0.02 0.01 -0.01 -0.04 1.68 1.65 2vbiE1 LYS 196 HE2 0.01 -0.02 -0.02 -0.04 2.99 2.92 2vbiE1 LYS 196 HE3 0.01 -0.00 -0.06 -0.04 2.99 2.90 2vbiE1 ALA 197 H 0.02 0.40 -0.23 -0.55 8.40 8.05 2vbiE1 ALA 197 HA -0.01 0.02 0.38 -0.75 4.34 3.99 2vbiE1 ALA 197 HB3 0.19 0.02 0.08 -0.04 1.41 1.66 2vbiE1 ALA 198 H -0.20 0.50 -0.20 -0.55 8.40 7.96 2vbiE1 ALA 198 HA -1.13 0.05 0.44 -0.75 4.34 2.94 2vbiE1 ALA 198 HB3 -0.16 0.01 0.04 -0.04 1.41 1.26 2vbiE1 VAL 199 H -0.11 0.61 -0.09 -0.55 8.24 8.11 2vbiE1 VAL 199 HA -0.06 0.05 0.46 -0.75 4.13 3.82 2vbiE1 VAL 199 HB -0.11 0.06 0.09 -0.04 2.12 2.12 2vbiE1 VAL 199 HG13 -0.15 0.00 -0.19 -0.04 0.97 0.59 2vbiE1 VAL 199 HG23 -0.24 0.04 -0.03 -0.04 0.95 0.67 2vbiE1 ASP 200 H -0.08 0.65 -0.06 -0.55 8.40 8.36 2vbiE1 ASP 200 HA -0.04 0.02 0.41 -0.75 4.63 4.27 2vbiE1 ASP 200 HB2 -0.03 0.08 0.16 -0.04 2.71 2.87 2vbiE1 ASP 200 HB3 -0.01 -0.04 -0.01 -0.04 2.70 2.59 2vbiE1 ALA 201 H -0.11 0.53 -0.26 -0.55 8.40 8.02 2vbiE1 ALA 201 HA 0.01 0.00 0.40 -0.75 4.34 4.00 2vbiE1 ALA 201 HB3 -0.03 0.02 0.07 -0.04 1.41 1.43 2vbiE1 THR 202 H -0.02 0.45 -0.28 -0.55 8.28 7.89 2vbiE1 THR 202 HA 0.05 0.02 0.46 -0.75 4.39 4.16 2vbiE1 THR 202 HB 0.04 0.05 0.06 -0.04 4.32 4.44 2vbiE1 THR 202 HG23 0.14 -0.02 -0.09 -0.04 1.22 1.21 2vbiE1 VAL 203 H -0.03 0.98 0.06 -0.55 8.24 8.69 2vbiE1 VAL 203 HA -0.03 0.07 0.55 -0.75 4.13 3.96 2vbiE1 VAL 203 HB -0.04 0.02 0.10 -0.04 2.12 2.16 2vbiE1 VAL 203 HG13 -0.03 0.01 -0.18 -0.04 0.97 0.73 2vbiE1 VAL 203 HG23 -0.08 -0.01 -0.12 -0.04 0.95 0.71 2vbiE1 ALA 204 H -0.01 0.59 -0.11 -0.55 8.40 8.32 2vbiE1 ALA 204 HA -0.00 -0.01 0.37 -0.75 4.34 3.94 2vbiE1 ALA 204 HB3 0.01 0.01 0.10 -0.04 1.41 1.49 2vbiE1 LEU 205 H 0.01 0.47 -0.25 -0.55 8.37 8.06 2vbiE1 LEU 205 HA 0.01 -0.02 0.32 -0.75 4.35 3.92 2vbiE1 LEU 205 HB2 0.03 0.10 0.11 -0.04 1.64 1.84 2vbiE1 LEU 205 HB3 0.03 0.04 0.05 -0.04 1.64 1.72 2vbiE1 LEU 205 HG 0.02 0.01 -0.14 -0.04 1.64 1.49 2vbiE1 LEU 205 HD13 0.02 -0.01 -0.01 -0.04 0.93 0.89 2vbiE1 LEU 205 HD23 0.03 -0.01 -0.10 -0.04 0.89 0.77 2vbiE1 LEU 206 H 0.01 0.54 -0.24 -0.55 8.37 8.13 2vbiE1 LEU 206 HA 0.01 -0.05 0.40 -0.75 4.35 3.95 2vbiE1 LEU 206 HB2 -0.01 0.09 0.22 -0.04 1.64 1.89 2vbiE1 LEU 206 HB3 -0.01 0.00 0.02 -0.04 1.64 1.61 2vbiE1 LEU 206 HG 0.01 0.07 0.06 -0.04 1.64 1.74 2vbiE1 LEU 206 HD13 -0.02 -0.03 -0.06 -0.04 0.93 0.78 2vbiE1 LEU 206 HD23 0.01 -0.02 -0.03 -0.04 0.89 0.81 2vbiE1 GLU 207 H -0.00 0.70 -0.12 -0.55 8.60 8.63 2vbiE1 GLU 207 HA -0.00 0.01 0.41 -0.75 4.29 3.96 2vbiE1 GLU 207 HB2 -0.00 0.07 0.20 -0.04 2.09 2.32 2vbiE1 GLU 207 HB3 -0.00 -0.10 0.02 -0.04 1.99 1.87 2vbiE1 GLU 207 HG2 -0.01 -0.05 0.04 -0.04 2.34 2.28 2vbiE1 GLU 207 HG3 -0.01 0.08 0.02 -0.04 2.34 2.39 2vbiE1 LYS 208 H 0.00 0.49 -0.06 -0.55 8.42 8.29 2vbiE1 LYS 208 HA 0.00 0.09 0.53 -0.75 4.32 4.19 2vbiE1 LYS 208 HB2 0.00 -0.10 0.17 -0.04 1.87 1.91 2vbiE1 LYS 208 HB3 0.00 -0.09 0.07 -0.04 1.79 1.73 2vbiE1 LYS 208 HG2 0.01 0.32 0.07 -0.04 1.46 1.82 2vbiE1 LYS 208 HG3 0.01 -0.01 -0.05 -0.04 1.46 1.37 2vbiE1 LYS 208 HD2 0.01 -0.07 0.01 -0.04 1.69 1.59 2vbiE1 LYS 208 HD3 0.01 -0.04 -0.02 -0.04 1.68 1.59 2vbiE1 LYS 208 HE2 0.01 0.04 -0.10 -0.04 2.99 2.91 2vbiE1 LYS 208 HE3 0.01 -0.03 -0.03 -0.04 2.99 2.90 2vbiE1 SER 209 H 0.00 0.37 -0.75 -0.55 8.46 7.53 2vbiE1 SER 209 HA 0.00 -0.01 0.70 -0.75 4.49 4.43 2vbiE1 SER 209 HB2 0.00 0.13 -0.08 -0.04 3.95 3.96 2vbiE1 SER 209 HB3 0.00 -0.26 -0.09 -0.04 3.93 3.54 2vbiE1 ALA 210 H 0.00 -0.03 0.14 -0.55 8.40 7.96 2vbiE1 ALA 210 HA 0.00 0.24 0.87 -0.75 4.34 4.69 2vbiE1 ALA 210 HB3 0.00 -0.02 0.09 -0.04 1.41 1.44 2vbiE1 SER 211 H -0.00 -0.01 0.08 -0.55 8.46 7.98 2vbiE1 SER 211 HA -0.00 0.29 0.83 -0.75 4.49 4.85 2vbiE1 SER 211 HB2 -0.00 -0.01 -0.02 -0.04 3.95 3.87 2vbiE1 SER 211 HB3 -0.00 0.01 -0.19 -0.04 3.93 3.71 2vbiE1 PRO 212 HA -0.01 0.00 0.64 -0.51 4.44 4.57 2vbiE1 PRO 212 HB2 -0.00 0.00 -0.05 -0.04 2.28 2.19 2vbiE1 PRO 212 HB3 0.00 0.10 0.11 -0.04 2.02 2.20 2vbiE1 PRO 212 HG2 0.00 0.13 0.03 -0.04 2.03 2.14 2vbiE1 PRO 212 HG3 0.00 0.05 -0.03 -0.04 2.03 2.01 2vbiE1 PRO 212 HD2 -0.00 0.18 0.11 -0.04 3.68 3.93 2vbiE1 PRO 212 HD3 -0.00 0.12 -0.48 -0.04 3.65 3.24 2vbiE1 VAL 213 H -0.02 0.26 0.23 -0.55 8.24 8.16 2vbiE1 VAL 213 HA -0.03 0.23 0.90 -0.75 4.13 4.47 2vbiE1 VAL 213 HB -0.05 -0.08 0.00 -0.04 2.12 1.94 2vbiE1 VAL 213 HG13 -0.07 0.01 -0.22 -0.04 0.97 0.64 2vbiE1 VAL 213 HG23 -0.04 0.04 -0.21 -0.04 0.95 0.70 2vbiE1 MET 214 H -0.06 0.69 0.26 -0.55 8.47 8.80 2vbiE1 MET 214 HA -0.03 0.25 1.06 -0.75 4.52 5.05 2vbiE1 MET 214 HB2 -0.12 0.07 0.19 -0.04 2.15 2.25 2vbiE1 MET 214 HB3 -0.10 -0.04 0.02 -0.04 2.03 1.86 2vbiE1 MET 214 HG2 -0.02 0.01 0.03 -0.04 2.63 2.62 2vbiE1 MET 214 HG3 -0.03 -0.00 -0.15 -0.04 2.56 2.34 2vbiE1 MET 214 HE3 -0.06 -0.00 -0.03 -0.04 2.10 1.97 2vbiE1 LEU 215 H -0.01 0.70 0.22 -0.55 8.37 8.74 2vbiE1 LEU 215 HA -0.03 0.24 0.88 -0.75 4.35 4.68 2vbiE1 LEU 215 HB2 -0.05 0.02 -0.19 -0.04 1.64 1.39 2vbiE1 LEU 215 HB3 0.04 -0.03 -0.02 -0.04 1.64 1.59 2vbiE1 LEU 215 HG 0.08 -0.03 -0.41 -0.04 1.64 1.24 2vbiE1 LEU 215 HD13 0.12 0.00 -0.25 -0.04 0.93 0.77 2vbiE1 LEU 215 HD23 0.20 -0.01 -0.15 -0.04 0.89 0.89 2vbiE1 LEU 216 H -0.02 0.56 0.32 -0.55 8.37 8.69 2vbiE1 LEU 216 HA 0.01 0.20 0.82 -0.75 4.35 4.63 2vbiE1 LEU 216 HB2 0.03 -0.08 0.13 -0.04 1.64 1.68 2vbiE1 LEU 216 HB3 0.08 0.05 0.05 -0.04 1.64 1.78 2vbiE1 LEU 216 HG -0.13 0.12 -0.07 -0.04 1.64 1.52 2vbiE1 LEU 216 HD13 -0.02 -0.00 -0.13 -0.04 0.93 0.73 2vbiE1 LEU 216 HD23 -0.03 0.00 -0.15 -0.04 0.89 0.66 2vbiE1 GLY 217 H 0.02 0.61 0.29 -0.55 8.43 8.80 2vbiE1 GLY 217 HA2 -0.09 0.01 0.77 -0.51 4.01 4.20 2vbiE1 GLY 217 HA3 -0.08 0.00 -0.02 -0.51 4.01 3.40 2vbiE1 SER 218 H -0.09 0.00 0.15 -0.55 8.46 7.98 2vbiE1 SER 218 HA 0.21 0.17 0.19 -0.75 4.49 4.31 2vbiE1 SER 218 HB2 -0.04 0.13 0.15 -0.04 3.95 4.14 2vbiE1 SER 218 HB3 -0.18 -0.19 -0.08 -0.04 3.93 3.45 2vbiE1 LYS 219 H 0.01 0.50 -0.22 -0.55 8.42 8.16 2vbiE1 LYS 219 HA 0.00 0.24 0.89 -0.75 4.32 4.69 2vbiE1 LYS 219 HB2 -0.02 0.08 0.06 -0.04 1.87 1.95 2vbiE1 LYS 219 HB3 -0.03 -0.02 0.18 -0.04 1.79 1.87 2vbiE1 LYS 219 HG2 -0.03 0.11 0.00 -0.04 1.46 1.51 2vbiE1 LYS 219 HG3 -0.03 -0.11 -0.13 -0.04 1.46 1.14 2vbiE1 LYS 219 HD2 -0.03 0.01 -0.04 -0.04 1.69 1.59 2vbiE1 LYS 219 HD3 -0.03 0.01 0.04 -0.04 1.68 1.66 2vbiE1 LYS 219 HE2 -0.02 0.07 -0.01 -0.04 2.99 2.99 2vbiE1 LYS 219 HE3 -0.02 -0.06 -0.00 -0.04 2.99 2.87 2vbiE1 LEU 220 H 0.08 0.36 -0.19 -0.55 8.37 8.08 2vbiE1 LEU 220 HA -0.04 0.03 0.18 -0.75 4.35 3.76 2vbiE1 LEU 220 HB2 0.09 0.18 0.16 -0.04 1.64 2.03 2vbiE1 LEU 220 HB3 -0.15 0.02 0.06 -0.04 1.64 1.53 2vbiE1 LEU 220 HG -0.06 -0.12 -0.26 -0.04 1.64 1.16 2vbiE1 LEU 220 HD13 0.02 0.01 -0.07 -0.04 0.93 0.85 2vbiE1 LEU 220 HD23 0.10 0.02 -0.01 -0.04 0.89 0.96 2vbiE1 ARG 221 H -0.55 0.17 -0.17 -0.55 8.46 7.36 2vbiE1 ARG 221 HA -0.34 -0.04 0.50 -0.75 4.34 3.71 2vbiE1 ARG 221 HB2 -1.20 -0.01 0.10 -0.04 1.90 0.75 2vbiE1 ARG 221 HB3 -0.36 0.07 0.10 -0.04 1.80 1.56 2vbiE1 ARG 221 HG2 -0.15 0.11 -0.12 -0.04 1.67 1.47 2vbiE1 ARG 221 HG3 -0.23 -0.08 0.08 -0.04 1.67 1.39 2vbiE1 ARG 221 HD2 -0.06 0.11 0.03 -0.04 3.22 3.26 2vbiE1 ARG 221 HD3 -0.21 -0.05 0.02 -0.04 3.22 2.95 2vbiE1 ALA 222 H -0.12 0.09 -0.10 -0.55 8.40 7.73 2vbiE1 ALA 222 HA -0.07 0.16 0.52 -0.75 4.34 4.21 2vbiE1 ALA 222 HB3 -0.05 0.05 0.20 -0.04 1.41 1.56 2vbiE1 ALA 223 H -0.08 0.40 -0.30 -0.55 8.40 7.88 2vbiE1 ALA 223 HA -0.03 0.11 0.54 -0.75 4.34 4.21 2vbiE1 ALA 223 HB3 -0.02 -0.04 0.11 -0.04 1.41 1.41 2vbiE1 ASN 224 H -0.08 0.50 -0.78 -0.55 8.53 7.62 2vbiE1 ASN 224 HA -0.08 0.06 0.41 -0.75 4.76 4.40 2vbiE1 ASN 224 HB2 -0.04 0.17 0.02 -0.04 2.88 2.98 2vbiE1 ASN 224 HB3 -0.02 0.01 0.03 -0.04 2.79 2.77 2vbiE1 ASN 224 HD21 -0.02 -0.04 0.08 -0.04 7.03 7.01 2vbiE1 ASN 224 HD22 -0.02 -0.01 0.08 -0.04 7.74 7.76 2vbiE1 ALA 225 H -0.08 0.43 0.04 -0.55 8.40 8.24 2vbiE1 ALA 225 HA -0.01 0.10 0.74 -0.75 4.34 4.42 2vbiE1 ALA 225 HB3 0.00 0.04 -0.10 -0.04 1.41 1.31 2vbiE1 LEU 226 H -0.07 0.19 -0.03 -0.55 8.37 7.91 2vbiE1 LEU 226 HA -0.01 0.17 0.50 -0.75 4.35 4.26 2vbiE1 LEU 226 HB2 -0.06 -0.04 0.13 -0.04 1.64 1.63 2vbiE1 LEU 226 HB3 -0.04 0.09 0.02 -0.04 1.64 1.67 2vbiE1 LEU 226 HG -0.18 -0.05 0.03 -0.04 1.64 1.40 2vbiE1 LEU 226 HD13 -0.13 0.04 0.02 -0.04 0.93 0.81 2vbiE1 LEU 226 HD23 -0.26 0.05 -0.04 -0.04 0.89 0.59 2vbiE1 ALA 227 H -0.03 0.16 -0.00 -0.55 8.40 7.99 2vbiE1 ALA 227 HA -0.02 0.10 0.40 -0.75 4.34 4.07 2vbiE1 ALA 227 HB3 -0.02 0.03 0.06 -0.04 1.41 1.45 2vbiE1 ALA 228 H 0.00 0.10 -0.28 -0.55 8.40 7.67 2vbiE1 ALA 228 HA 0.01 0.07 0.37 -0.75 4.34 4.03 2vbiE1 ALA 228 HB3 0.01 0.02 0.00 -0.04 1.41 1.40 2vbiE1 THR 229 H 0.04 0.39 -0.37 -0.55 8.28 7.79 2vbiE1 THR 229 HA 0.06 0.02 0.42 -0.75 4.39 4.13 2vbiE1 THR 229 HB 0.11 0.22 0.24 -0.04 4.32 4.85 2vbiE1 THR 229 HG23 0.15 -0.02 -0.12 -0.04 1.22 1.18 2vbiE1 GLU 230 H 0.08 0.44 -0.06 -0.55 8.60 8.50 2vbiE1 GLU 230 HA 0.26 0.07 0.60 -0.75 4.29 4.47 2vbiE1 GLU 230 HB2 -0.20 -0.04 0.12 -0.04 2.09 1.93 2vbiE1 GLU 230 HB3 -0.10 0.07 0.12 -0.04 1.99 2.04 2vbiE1 GLU 230 HG2 -0.02 0.06 0.05 -0.04 2.34 2.39 2vbiE1 GLU 230 HG3 0.02 0.01 -0.27 -0.04 2.34 2.06 2vbiE1 THR 231 H 0.04 0.43 -0.23 -0.55 8.28 7.97 2vbiE1 THR 231 HA 0.05 0.05 0.64 -0.75 4.39 4.37 2vbiE1 THR 231 HB 0.01 0.12 0.14 -0.04 4.32 4.54 2vbiE1 THR 231 HG23 0.00 -0.01 -0.07 -0.04 1.22 1.10 2vbiE1 LEU 232 H 0.03 0.51 -0.11 -0.55 8.37 8.26 2vbiE1 LEU 232 HA -0.00 0.06 0.44 -0.75 4.35 4.10 2vbiE1 LEU 232 HB2 -0.02 0.08 0.13 -0.04 1.64 1.79 2vbiE1 LEU 232 HB3 0.02 0.12 0.18 -0.04 1.64 1.92 2vbiE1 LEU 232 HG -0.00 -0.02 -0.19 -0.04 1.64 1.39 2vbiE1 LEU 232 HD13 -0.06 -0.00 -0.08 -0.04 0.93 0.75 2vbiE1 LEU 232 HD23 -0.01 -0.02 -0.05 -0.04 0.89 0.78 2vbiE1 ALA 233 H 0.08 0.44 -0.20 -0.55 8.40 8.17 2vbiE1 ALA 233 HA 0.04 0.01 0.32 -0.75 4.34 3.97 2vbiE1 ALA 233 HB3 0.08 0.02 0.04 -0.04 1.41 1.51 2vbiE1 ASP 234 H 0.13 0.34 -0.43 -0.55 8.40 7.90 2vbiE1 ASP 234 HA 0.17 -0.00 0.52 -0.75 4.63 4.56 2vbiE1 ASP 234 HB2 0.07 0.20 0.18 -0.04 2.71 3.12 2vbiE1 ASP 234 HB3 0.06 -0.06 0.01 -0.04 2.70 2.67 2vbiE1 LYS 235 H 0.05 0.35 -0.19 -0.55 8.42 8.06 2vbiE1 LYS 235 HA 0.02 0.01 0.47 -0.75 4.32 4.06 2vbiE1 LYS 235 HB2 0.01 -0.03 0.12 -0.04 1.87 1.92 2vbiE1 LYS 235 HB3 0.00 0.02 0.17 -0.04 1.79 1.93 2vbiE1 LYS 235 HG2 -0.02 0.06 -0.01 -0.04 1.46 1.45 2vbiE1 LYS 235 HG3 -0.00 0.04 -0.29 -0.04 1.46 1.17 2vbiE1 LYS 235 HD2 -0.00 -0.13 0.01 -0.04 1.69 1.53 2vbiE1 LYS 235 HD3 -0.00 -0.09 0.03 -0.04 1.68 1.57 2vbiE1 LYS 235 HE2 -0.02 0.15 -0.04 -0.04 2.99 3.04 2vbiE1 LYS 235 HE3 -0.02 0.40 -0.10 -0.04 2.99 3.23 2vbiE1 LEU 236 H 0.03 0.54 -0.00 -0.55 8.37 8.39 2vbiE1 LEU 236 HA 0.01 0.33 0.46 -0.75 4.35 4.39 2vbiE1 LEU 236 HB2 0.02 0.05 0.08 -0.04 1.64 1.75 2vbiE1 LEU 236 HB3 0.01 -0.10 -0.02 -0.04 1.64 1.49 2vbiE1 LEU 236 HG -0.01 0.03 -0.02 -0.04 1.64 1.60 2vbiE1 LEU 236 HD13 -0.00 -0.03 -0.10 -0.04 0.93 0.75 2vbiE1 LEU 236 HD23 -0.00 0.08 0.02 -0.04 0.89 0.95 2vbiE1 GLN 237 H 0.06 0.37 -0.40 -0.55 8.47 7.96 2vbiE1 GLN 237 HA 0.08 0.05 0.25 -0.75 4.36 3.99 2vbiE1 GLN 237 HB2 0.03 0.06 0.01 -0.04 2.15 2.21 2vbiE1 GLN 237 HB3 0.04 -0.10 0.11 -0.04 2.02 2.02 2vbiE1 GLN 237 HG2 0.03 0.21 -0.52 -0.04 2.40 2.08 2vbiE1 GLN 237 HG3 0.02 -0.09 -0.16 -0.04 2.39 2.12 2vbiE1 GLN 237 HE21 0.03 -0.13 0.03 -0.04 6.97 6.86 2vbiE1 GLN 237 HE22 0.05 0.11 0.03 -0.04 7.69 7.85 2vbiE1 CYS 238 H 0.03 -0.03 -0.50 -0.55 8.50 7.46 2vbiE1 CYS 238 HA 0.02 0.01 0.32 -0.75 4.58 4.17 2vbiE1 CYS 238 HB2 -0.01 0.11 0.20 -0.04 2.97 3.23 2vbiE1 CYS 238 HB3 0.01 0.20 0.04 -0.04 2.97 3.18 2vbiE1 ALA 239 H -0.01 0.05 0.11 -0.55 8.40 8.01 2vbiE1 ALA 239 HA -0.01 0.28 0.55 -0.75 4.34 4.40 2vbiE1 ALA 239 HB3 -0.04 0.00 -0.15 -0.04 1.41 1.19 2vbiE1 VAL 240 H -0.07 0.86 0.32 -0.55 8.24 8.80 2vbiE1 VAL 240 HA -0.20 0.14 0.94 -0.75 4.13 4.25 2vbiE1 VAL 240 HB -0.33 -0.06 -0.09 -0.04 2.12 1.60 2vbiE1 VAL 240 HG13 -1.17 -0.03 -0.18 -0.04 0.97 -0.45 2vbiE1 VAL 240 HG23 -0.29 0.05 -0.17 -0.04 0.95 0.49 2vbiE1 THR 241 H -0.14 0.73 0.31 -0.55 8.28 8.63 2vbiE1 THR 241 HA -0.21 0.14 0.99 -0.75 4.39 4.55 2vbiE1 THR 241 HB -0.01 -0.03 -0.03 -0.04 4.32 4.21 2vbiE1 THR 241 HG23 -0.11 -0.01 -0.35 -0.04 1.22 0.72 2vbiE1 ILE 242 H -0.00 0.62 0.35 -0.55 8.25 8.66 2vbiE1 ILE 242 HA 0.01 0.13 1.12 -0.75 4.18 4.68 2vbiE1 ILE 242 HB -0.02 0.11 -0.14 -0.04 1.89 1.80 2vbiE1 ILE 242 HG12 0.32 0.03 -0.08 -0.04 1.49 1.71 2vbiE1 ILE 242 HG13 0.06 -0.12 -0.09 -0.04 1.21 1.03 2vbiE1 ILE 242 HG23 0.15 -0.01 -0.18 -0.04 0.93 0.85 2vbiE1 ILE 242 HD13 0.10 0.00 -0.15 -0.04 0.88 0.79 2vbiE1 MET 243 H -0.05 0.65 0.30 -0.55 8.47 8.82 2vbiE1 MET 243 HA -0.09 0.37 0.87 -0.75 4.52 4.92 2vbiE1 MET 243 HB2 -0.19 -0.11 0.14 -0.04 2.15 1.94 2vbiE1 MET 243 HB3 -0.23 -0.08 0.19 -0.04 2.03 1.87 2vbiE1 MET 243 HG2 0.12 0.06 -0.04 -0.04 2.63 2.73 2vbiE1 MET 243 HG3 -0.03 0.28 -0.11 -0.04 2.56 2.67 2vbiE1 MET 243 HE3 -0.27 -0.04 0.07 -0.04 2.10 1.83 2vbiE1 ALA 244 H -0.72 0.23 0.17 -0.55 8.40 7.54 2vbiE1 ALA 244 HA -0.54 0.12 0.29 -0.75 4.34 3.47 2vbiE1 ALA 244 HB3 -1.78 -0.00 0.09 -0.04 1.41 -0.32 2vbiE1 ALA 245 H -0.57 0.07 -0.16 -0.55 8.40 7.19 2vbiE1 ALA 245 HA -0.52 0.07 0.28 -0.75 4.34 3.42 2vbiE1 ALA 245 HB3 -0.38 -0.01 0.09 -0.04 1.41 1.07 2vbiE1 ALA 246 H -0.36 0.48 -0.69 -0.55 8.40 7.28 2vbiE1 ALA 246 HA -0.96 0.22 0.68 -0.75 4.34 3.52 2vbiE1 ALA 246 HB3 -0.08 -0.05 -0.16 -0.04 1.41 1.08 2vbiE1 LYS 247 H -0.40 0.29 -0.22 -0.55 8.42 7.53 2vbiE1 LYS 247 HA -0.13 -0.02 0.39 -0.75 4.32 3.80 2vbiE1 LYS 247 HB2 -0.20 0.05 0.08 -0.04 1.87 1.76 2vbiE1 LYS 247 HB3 -0.22 -0.05 0.04 -0.04 1.79 1.51 2vbiE1 LYS 247 HG2 -0.09 -0.02 -0.20 -0.04 1.46 1.10 2vbiE1 LYS 247 HG3 -0.07 -0.03 -0.03 -0.04 1.46 1.29 2vbiE1 LYS 247 HD2 -0.05 -0.07 -0.04 -0.04 1.69 1.49 2vbiE1 LYS 247 HD3 -0.06 -0.04 -0.26 -0.04 1.68 1.27 2vbiE1 LYS 247 HE2 0.00 0.20 0.03 -0.04 2.99 3.19 2vbiE1 LYS 247 HE3 -0.02 -0.09 -0.05 -0.04 2.99 2.78 2vbiE1 GLY 248 H -0.06 0.13 0.22 -0.55 8.43 8.18 2vbiE1 GLY 248 HA2 -0.03 0.06 0.33 -0.51 4.01 3.86 2vbiE1 GLY 248 HA3 -0.02 0.11 0.63 -0.51 4.01 4.22 2vbiE1 PHE 249 H 0.02 0.52 -0.19 -0.55 8.34 8.14 2vbiE1 PHE 249 HA 0.00 0.13 0.57 -0.75 4.62 4.57 2vbiE1 PHE 249 HB2 0.02 0.15 0.08 -0.04 3.15 3.35 2vbiE1 PHE 249 HB3 0.03 -0.10 0.10 -0.04 3.06 3.05 2vbiE1 PHE 249 HD2 -0.03 0.07 -0.17 -0.04 7.28 7.11 2vbiE1 PHE 249 HE2 -0.04 0.05 0.04 -0.04 7.38 7.39 2vbiE1 PHE 249 HZ -0.04 0.05 0.10 -0.04 7.32 7.39 2vbiE1 PHE 250 H 0.16 0.10 -0.36 -0.55 8.34 7.68 2vbiE1 PHE 250 HA -0.01 0.17 0.59 -0.75 4.62 4.62 2vbiE1 PHE 250 HB2 0.06 0.02 -0.28 -0.04 3.15 2.91 2vbiE1 PHE 250 HB3 0.03 -0.07 -0.13 -0.04 3.06 2.85 2vbiE1 PHE 250 HD2 0.00 0.01 -0.18 -0.04 7.28 7.06 2vbiE1 PHE 250 HE2 -0.11 -0.04 -0.12 -0.04 7.38 7.07 2vbiE1 PHE 250 HZ -0.96 -0.01 -0.07 -0.04 7.32 6.24 2vbiE1 PRO 251 HA -0.20 0.08 0.54 -0.51 4.44 4.35 2vbiE1 PRO 251 HB2 -0.18 -0.08 0.08 -0.04 2.28 2.06 2vbiE1 PRO 251 HB3 -0.19 0.04 0.14 -0.04 2.02 1.97 2vbiE1 PRO 251 HG2 -0.66 -0.00 0.14 -0.04 2.03 1.47 2vbiE1 PRO 251 HG3 -0.33 0.08 0.08 -0.04 2.03 1.82 2vbiE1 PRO 251 HD2 -1.59 0.12 0.18 -0.04 3.68 2.34 2vbiE1 PRO 251 HD3 -0.39 0.19 0.09 -0.04 3.65 3.50 2vbiE1 GLU 252 H -0.26 0.28 0.21 -0.55 8.60 8.28 2vbiE1 GLU 252 HA -0.87 0.11 0.47 -0.75 4.29 3.24 2vbiE1 GLU 252 HB2 -0.20 0.14 0.07 -0.04 2.09 2.06 2vbiE1 GLU 252 HB3 -0.34 0.03 0.12 -0.04 1.99 1.76 2vbiE1 GLU 252 HG2 -1.10 -0.00 0.02 -0.04 2.34 1.22 2vbiE1 GLU 252 HG3 -0.33 0.06 0.15 -0.04 2.34 2.18 2vbiE1 ASP 253 H -0.10 -0.05 -0.30 -0.55 8.40 7.40 2vbiE1 ASP 253 HA 0.00 0.10 0.46 -0.75 4.63 4.44 2vbiE1 ASP 253 HB2 -0.06 -0.12 0.08 -0.04 2.71 2.56 2vbiE1 ASP 253 HB3 -0.04 0.04 -0.15 -0.04 2.70 2.52 2vbiE1 HIS 254 H 0.10 0.31 -0.41 -0.55 8.41 7.87 2vbiE1 HIS 254 HA 0.02 -0.02 0.23 -0.75 4.63 4.10 2vbiE1 HIS 254 HB2 -0.18 0.05 0.13 -0.04 3.26 3.23 2vbiE1 HIS 254 HB3 0.35 0.01 0.06 -0.04 3.20 3.57 2vbiE1 HIS 254 HD2 -0.18 -0.02 0.03 -0.04 6.97 6.76 2vbiE1 HIS 254 HE1 0.16 0.17 -0.18 -0.04 7.75 7.85 2vbiE1 ALA 255 H -0.31 0.10 0.16 -0.55 8.40 7.80 2vbiE1 ALA 255 HA 0.07 0.12 0.41 -0.75 4.34 4.18 2vbiE1 ALA 255 HB3 -0.03 0.00 0.10 -0.04 1.41 1.44 2vbiE1 GLY 256 H 0.83 -0.05 -0.32 -0.55 8.43 8.34 2vbiE1 GLY 256 HA2 0.16 0.20 0.48 -0.51 4.01 4.34 2vbiE1 GLY 256 HA3 0.28 0.10 0.20 -0.51 4.01 4.09 2vbiE1 PHE 257 H 0.48 0.32 -0.34 -0.55 8.34 8.25 2vbiE1 PHE 257 HA 0.06 0.05 0.57 -0.75 4.62 4.54 2vbiE1 PHE 257 HB2 0.37 -0.03 0.07 -0.04 3.15 3.52 2vbiE1 PHE 257 HB3 0.18 0.21 0.11 -0.04 3.06 3.51 2vbiE1 PHE 257 HD2 0.10 0.09 -0.07 -0.04 7.28 7.37 2vbiE1 PHE 257 HE2 0.05 -0.01 -0.06 -0.04 7.38 7.32 2vbiE1 PHE 257 HZ 0.04 -0.04 -0.04 -0.04 7.32 7.24 2vbiE1 ARG 258 H -0.56 0.57 0.46 -0.55 8.46 8.38 2vbiE1 ARG 258 HA -0.20 0.27 0.96 -0.75 4.34 4.62 2vbiE1 ARG 258 HB2 -0.16 -0.04 -0.09 -0.04 1.90 1.56 2vbiE1 ARG 258 HB3 -0.12 -0.08 0.03 -0.04 1.80 1.59 2vbiE1 ARG 258 HG2 -0.04 0.14 -0.35 -0.04 1.67 1.38 2vbiE1 ARG 258 HG3 -0.04 -0.05 -0.13 -0.04 1.67 1.40 2vbiE1 ARG 258 HD2 -0.03 -0.04 -0.30 -0.04 3.22 2.81 2vbiE1 ARG 258 HD3 -0.03 0.14 -0.19 -0.04 3.22 3.10 2vbiE1 GLY 259 H -1.41 0.09 0.26 -0.55 8.43 6.82 2vbiE1 GLY 259 HA2 -0.56 0.05 0.28 -0.51 4.01 3.26 2vbiE1 GLY 259 HA3 -0.23 0.16 0.68 -0.51 4.01 4.10 2vbiE1 LEU 260 H -0.00 0.14 0.23 -0.55 8.37 8.19 2vbiE1 LEU 260 HA 0.04 0.23 0.58 -0.75 4.35 4.45 2vbiE1 LEU 260 HB2 0.07 0.07 0.01 -0.04 1.64 1.76 2vbiE1 LEU 260 HB3 0.09 -0.04 0.18 -0.04 1.64 1.82 2vbiE1 LEU 260 HG 0.19 -0.12 -0.46 -0.04 1.64 1.21 2vbiE1 LEU 260 HD13 -0.06 0.05 -0.18 -0.04 0.93 0.70 2vbiE1 LEU 260 HD23 0.26 0.01 -0.07 -0.04 0.89 1.06 2vbiE1 TYR 261 H 0.14 0.80 0.33 -0.55 8.29 9.01 2vbiE1 TYR 261 HA 0.09 0.07 0.91 -0.75 4.56 4.88 2vbiE1 TYR 261 HB2 0.03 0.08 -0.08 -0.04 3.06 3.05 2vbiE1 TYR 261 HB3 0.04 0.03 0.01 -0.04 2.98 3.03 2vbiE1 TYR 261 HD2 0.11 -0.00 -0.12 -0.04 7.15 7.09 2vbiE1 TYR 261 HE2 0.17 0.05 -0.05 -0.04 6.85 6.98 2vbiE1 TRP 262 H -0.05 0.18 -0.12 -0.55 7.97 7.43 2vbiE1 TRP 262 HA -0.31 0.21 0.58 -0.75 4.62 4.35 2vbiE1 TRP 262 HB2 -0.11 0.03 -0.37 -0.04 3.23 2.74 2vbiE1 TRP 262 HB3 -0.06 -0.01 -0.14 -0.04 3.23 2.98 2vbiE1 TRP 262 HD1 -0.06 0.24 0.07 -0.04 7.22 7.43 2vbiE1 TRP 262 HE1 0.15 0.34 0.18 -0.04 10.20 10.84 2vbiE1 TRP 262 HE3 -0.14 0.09 -0.07 -0.04 7.59 7.44 2vbiE1 TRP 262 HZ2 -0.64 -0.00 -0.05 -0.04 7.44 6.70 2vbiE1 TRP 262 HZ3 -0.59 0.01 -0.08 -0.04 7.13 6.42 2vbiE1 TRP 262 HH2 -1.31 -0.08 -0.07 -0.04 7.19 5.69 2vbiE1 GLY 263 H -0.62 0.21 0.01 -0.55 8.43 7.49 2vbiE1 GLY 263 HA2 -0.05 0.12 0.29 -0.51 4.01 3.86 2vbiE1 GLY 263 HA3 -0.04 0.04 0.37 -0.51 4.01 3.87 2vbiE1 GLU 264 H -0.05 0.18 0.18 -0.55 8.60 8.36 2vbiE1 GLU 264 HA 0.01 0.12 0.51 -0.75 4.29 4.18 2vbiE1 GLU 264 HB2 -0.02 0.01 0.12 -0.04 2.09 2.16 2vbiE1 GLU 264 HB3 -0.01 0.03 0.09 -0.04 1.99 2.06 2vbiE1 GLU 264 HG2 -0.07 -0.03 0.10 -0.04 2.34 2.30 2vbiE1 GLU 264 HG3 -0.07 -0.01 -0.14 -0.04 2.34 2.08 2vbiE1 VAL 265 H -0.09 0.40 -0.18 -0.55 8.24 7.82 2vbiE1 VAL 265 HA -0.02 0.23 0.95 -0.75 4.13 4.54 2vbiE1 VAL 265 HB -0.05 -0.07 0.18 -0.04 2.12 2.13 2vbiE1 VAL 265 HG13 -0.10 -0.00 -0.03 -0.04 0.97 0.80 2vbiE1 VAL 265 HG23 -0.45 0.01 0.00 -0.04 0.95 0.47 2vbiE1 SER 266 H 0.03 0.22 -0.54 -0.55 8.46 7.62 2vbiE1 SER 266 HA 0.13 0.04 0.37 -0.75 4.49 4.27 2vbiE1 SER 266 HB2 0.09 -0.05 -0.04 -0.04 3.95 3.92 2vbiE1 SER 266 HB3 0.14 0.20 0.18 -0.04 3.93 4.41 2vbiE1 ASN 267 H 0.08 0.29 0.26 -0.55 8.53 8.61 2vbiE1 ASN 267 HA 0.05 0.09 0.63 -0.75 4.76 4.78 2vbiE1 ASN 267 HB2 0.02 0.03 0.20 -0.04 2.88 3.09 2vbiE1 ASN 267 HB3 0.02 0.10 0.16 -0.04 2.79 3.04 2vbiE1 ASN 267 HD21 0.07 0.05 0.02 -0.04 7.03 7.13 2vbiE1 ASN 267 HD22 0.06 0.03 0.06 -0.04 7.74 7.84 2vbiE1 PRO 268 HA 0.03 -0.03 0.39 -0.51 4.44 4.32 2vbiE1 PRO 268 HB2 0.02 0.06 0.03 -0.04 2.28 2.35 2vbiE1 PRO 268 HB3 0.02 -0.00 0.14 -0.04 2.02 2.13 2vbiE1 PRO 268 HG2 0.02 0.07 0.14 -0.04 2.03 2.22 2vbiE1 PRO 268 HG3 0.02 0.01 0.13 -0.04 2.03 2.14 2vbiE1 PRO 268 HD2 0.03 0.12 0.30 -0.04 3.68 4.09 2vbiE1 PRO 268 HD3 0.03 0.13 0.22 -0.04 3.65 3.99 2vbiE1 GLY 269 H 0.03 0.08 0.15 -0.55 8.43 8.15 2vbiE1 GLY 269 HA2 0.02 -0.03 0.40 -0.51 4.01 3.89 2vbiE1 GLY 269 HA3 0.02 0.22 0.46 -0.51 4.01 4.20 2vbiE1 VAL 270 H 0.04 0.59 -0.59 -0.55 8.24 7.73 2vbiE1 VAL 270 HA 0.02 0.11 0.23 -0.75 4.13 3.73 2vbiE1 VAL 270 HB 0.09 0.03 0.06 -0.04 2.12 2.27 2vbiE1 VAL 270 HG13 0.10 -0.04 -0.38 -0.04 0.97 0.61 2vbiE1 VAL 270 HG23 -0.01 0.03 -0.06 -0.04 0.95 0.86 2vbiE1 GLN 271 H 0.12 0.17 -0.15 -0.55 8.47 8.06 2vbiE1 GLN 271 HA 0.37 0.01 0.42 -0.75 4.36 4.41 2vbiE1 GLN 271 HB2 0.15 0.11 0.08 -0.04 2.15 2.45 2vbiE1 GLN 271 HB3 0.10 -0.06 0.02 -0.04 2.02 2.04 2vbiE1 GLN 271 HG2 0.13 0.03 -0.21 -0.04 2.40 2.31 2vbiE1 GLN 271 HG3 0.29 -0.05 -0.01 -0.04 2.39 2.59 2vbiE1 GLN 271 HE21 0.06 -0.05 -0.22 -0.04 6.97 6.72 2vbiE1 GLN 271 HE22 0.15 0.03 -0.08 -0.04 7.69 7.74 2vbiE1 GLU 272 H 0.06 0.06 -0.26 -0.55 8.60 7.91 2vbiE1 GLU 272 HA 0.04 0.02 0.35 -0.75 4.29 3.94 2vbiE1 GLU 272 HB2 0.03 -0.11 0.09 -0.04 2.09 2.06 2vbiE1 GLU 272 HB3 0.02 0.15 -0.00 -0.04 1.99 2.12 2vbiE1 GLU 272 HG2 0.02 0.00 0.02 -0.04 2.34 2.34 2vbiE1 GLU 272 HG3 0.02 -0.06 0.00 -0.04 2.34 2.27 2vbiE1 LEU 273 H 0.02 0.46 -0.17 -0.55 8.37 8.13 2vbiE1 LEU 273 HA -0.01 0.03 0.26 -0.75 4.35 3.87 2vbiE1 LEU 273 HB2 -0.00 -0.01 0.11 -0.04 1.64 1.70 2vbiE1 LEU 273 HB3 -0.04 -0.02 -0.13 -0.04 1.64 1.41 2vbiE1 LEU 273 HG -0.01 0.01 -0.07 -0.04 1.64 1.52 2vbiE1 LEU 273 HD13 -0.04 0.02 -0.13 -0.04 0.93 0.74 2vbiE1 LEU 273 HD23 -0.02 0.02 -0.03 -0.04 0.89 0.82 2vbiE1 VAL 274 H -0.07 0.45 -0.17 -0.55 8.24 7.91 2vbiE1 VAL 274 HA -0.11 0.14 0.56 -0.75 4.13 3.97 2vbiE1 VAL 274 HB -0.25 -0.02 -0.07 -0.04 2.12 1.73 2vbiE1 VAL 274 HG13 -0.22 0.07 -0.09 -0.04 0.97 0.70 2vbiE1 VAL 274 HG23 -0.87 -0.02 -0.19 -0.04 0.95 -0.17 2vbiE1 GLU 275 H -0.05 0.57 0.04 -0.55 8.60 8.62 2vbiE1 GLU 275 HA -0.02 -0.03 0.28 -0.75 4.29 3.77 2vbiE1 GLU 275 HB2 0.07 0.27 0.13 -0.04 2.09 2.52 2vbiE1 GLU 275 HB3 0.04 0.00 -0.08 -0.04 1.99 1.91 2vbiE1 GLU 275 HG2 0.07 -0.02 -0.03 -0.04 2.34 2.32 2vbiE1 GLU 275 HG3 0.07 -0.01 0.04 -0.04 2.34 2.39 2vbiE1 THR 276 H -0.02 0.32 -0.60 -0.55 8.28 7.43 2vbiE1 THR 276 HA -0.00 0.10 0.61 -0.75 4.39 4.34 2vbiE1 THR 276 HB 0.00 0.06 0.04 -0.04 4.32 4.38 2vbiE1 THR 276 HG23 -0.00 -0.00 -0.14 -0.04 1.22 1.03 2vbiE1 SER 277 H -0.03 0.30 -0.35 -0.55 8.46 7.82 2vbiE1 SER 277 HA -0.02 0.04 0.36 -0.75 4.49 4.12 2vbiE1 SER 277 HB2 -0.04 0.16 0.17 -0.04 3.95 4.20 2vbiE1 SER 277 HB3 -0.03 0.04 0.05 -0.04 3.93 3.95 2vbiE1 ASP 278 H -0.01 0.23 0.21 -0.55 8.40 8.28 2vbiE1 ASP 278 HA -0.00 0.07 0.46 -0.75 4.63 4.41 2vbiE1 ASP 278 HB2 -0.00 -0.06 0.20 -0.04 2.71 2.81 2vbiE1 ASP 278 HB3 -0.00 0.04 -0.07 -0.04 2.70 2.63 2vbiE1 ALA 279 H -0.01 0.07 -0.33 -0.55 8.40 7.59 2vbiE1 ALA 279 HA 0.01 0.33 0.69 -0.75 4.34 4.61 2vbiE1 ALA 279 HB3 0.01 0.01 -0.12 -0.04 1.41 1.27 2vbiE1 LEU 280 H 0.01 0.69 0.21 -0.55 8.37 8.73 2vbiE1 LEU 280 HA -0.01 0.10 0.68 -0.75 4.35 4.37 2vbiE1 LEU 280 HB2 -0.02 0.11 0.02 -0.04 1.64 1.71 2vbiE1 LEU 280 HB3 0.01 -0.06 0.11 -0.04 1.64 1.66 2vbiE1 LEU 280 HG 0.02 -0.05 -0.35 -0.04 1.64 1.21 2vbiE1 LEU 280 HD13 -0.07 0.05 -0.17 -0.04 0.93 0.71 2vbiE1 LEU 280 HD23 -0.02 0.01 -0.15 -0.04 0.89 0.69 2vbiE1 LEU 281 H 0.01 0.80 0.44 -0.55 8.37 9.07 2vbiE1 LEU 281 HA 0.06 0.08 0.77 -0.75 4.35 4.51 2vbiE1 LEU 281 HB2 0.02 0.11 0.14 -0.04 1.64 1.88 2vbiE1 LEU 281 HB3 0.02 -0.11 0.26 -0.04 1.64 1.77 2vbiE1 LEU 281 HG 0.07 0.01 -0.02 -0.04 1.64 1.66 2vbiE1 LEU 281 HD13 0.03 0.00 -0.06 -0.04 0.93 0.86 2vbiE1 LEU 281 HD23 0.14 0.00 -0.12 -0.04 0.89 0.87 2vbiE1 CYS 282 H 0.08 0.70 0.33 -0.55 8.50 9.06 2vbiE1 CYS 282 HA 0.07 0.13 0.69 -0.75 4.58 4.72 2vbiE1 CYS 282 HB2 0.13 0.00 -0.10 -0.04 2.97 2.96 2vbiE1 CYS 282 HB3 0.15 0.02 0.14 -0.04 2.97 3.23 2vbiE1 ILE 283 H 0.04 0.79 0.41 -0.55 8.25 8.93 2vbiE1 ILE 283 HA 0.06 0.20 0.87 -0.75 4.18 4.55 2vbiE1 ILE 283 HB 0.04 -0.06 0.16 -0.04 1.89 1.99 2vbiE1 ILE 283 HG12 0.10 -0.00 -0.20 -0.04 1.49 1.35 2vbiE1 ILE 283 HG13 0.05 0.11 -0.26 -0.04 1.21 1.07 2vbiE1 ILE 283 HG23 0.07 -0.01 -0.13 -0.04 0.93 0.82 2vbiE1 ILE 283 HD13 0.04 -0.01 -0.05 -0.04 0.88 0.82 2vbiE1 ALA 284 H 0.02 0.90 0.42 -0.55 8.40 9.19 2vbiE1 ALA 284 HA -0.01 0.05 0.39 -0.75 4.34 4.01 2vbiE1 ALA 284 HB3 0.00 0.00 -0.12 -0.04 1.41 1.25 2vbiE1 PRO 285 HA -0.23 -0.10 0.32 -0.51 4.44 3.92 2vbiE1 PRO 285 HB2 -1.32 -0.02 -0.19 -0.04 2.28 0.70 2vbiE1 PRO 285 HB3 -0.39 0.07 -0.15 -0.04 2.02 1.51 2vbiE1 PRO 285 HG2 -0.11 -0.00 -0.08 -0.04 2.03 1.80 2vbiE1 PRO 285 HG3 0.05 0.11 -0.12 -0.04 2.03 2.03 2vbiE1 PRO 285 HD2 -0.01 0.08 0.03 -0.04 3.68 3.73 2vbiE1 PRO 285 HD3 -0.01 0.17 -0.34 -0.04 3.65 3.43 2vbiE1 VAL 286 H -0.31 0.08 0.12 -0.55 8.24 7.58 2vbiE1 VAL 286 HA -0.13 0.24 0.60 -0.75 4.13 4.09 2vbiE1 VAL 286 HB -0.14 -0.13 0.18 -0.04 2.12 1.99 2vbiE1 VAL 286 HG13 -0.04 0.01 -0.12 -0.04 0.97 0.78 2vbiE1 VAL 286 HG23 -0.07 0.03 -0.08 -0.04 0.95 0.79 2vbiE1 PHE 287 H -0.02 0.28 -0.08 -0.55 8.34 7.97 2vbiE1 PHE 287 HA -0.11 0.06 0.77 -0.75 4.62 4.58 2vbiE1 PHE 287 HB2 -0.09 0.03 0.11 -0.04 3.15 3.16 2vbiE1 PHE 287 HB3 -0.74 0.03 -0.03 -0.04 3.06 2.28 2vbiE1 PHE 287 HD2 0.21 -0.01 -0.07 -0.04 7.28 7.37 2vbiE1 PHE 287 HE2 0.26 0.04 -0.08 -0.04 7.38 7.56 2vbiE1 PHE 287 HZ 0.21 0.05 -0.09 -0.04 7.32 7.45 2vbiE1 ASN 288 H -0.05 0.07 0.15 -0.55 8.53 8.15 2vbiE1 ASN 288 HA 0.06 0.34 0.72 -0.75 4.76 5.13 2vbiE1 ASN 288 HB2 -0.07 -0.08 0.22 -0.04 2.88 2.91 2vbiE1 ASN 288 HB3 -0.01 0.18 -0.03 -0.04 2.79 2.89 2vbiE1 ASN 288 HD21 -0.06 0.04 -0.03 -0.04 7.03 6.94 2vbiE1 ASN 288 HD22 -0.04 0.12 -0.04 -0.04 7.74 7.74 2vbiE1 ASP 289 H -0.30 0.27 0.14 -0.55 8.40 7.96 2vbiE1 ASP 289 HA -1.72 0.07 0.32 -0.75 4.63 2.55 2vbiE1 ASP 289 HB2 -0.42 0.04 0.07 -0.04 2.71 2.36 2vbiE1 ASP 289 HB3 -0.36 0.11 0.07 -0.04 2.70 2.48 2vbiE1 TYR 290 H -0.01 0.09 -0.17 -0.55 8.29 7.64 2vbiE1 TYR 290 HA 0.28 0.15 0.68 -0.75 4.56 4.91 2vbiE1 TYR 290 HB2 0.10 0.02 0.12 -0.04 3.06 3.26 2vbiE1 TYR 290 HB3 0.34 0.02 -0.02 -0.04 2.98 3.29 2vbiE1 TYR 290 HD2 0.21 0.02 -0.11 -0.04 7.15 7.23 2vbiE1 TYR 290 HE2 0.26 0.01 -0.04 -0.04 6.85 7.04 2vbiE1 SER 291 H 0.07 0.03 -0.07 -0.55 8.46 7.95 2vbiE1 SER 291 HA 0.17 0.09 0.46 -0.75 4.49 4.46 2vbiE1 SER 291 HB2 -0.10 0.04 0.16 -0.04 3.95 4.02 2vbiE1 SER 291 HB3 -0.15 -0.03 0.16 -0.04 3.93 3.87 2vbiE1 THR 292 H -0.08 0.44 -0.13 -0.55 8.28 7.96 2vbiE1 THR 292 HA 0.17 0.40 0.65 -0.75 4.39 4.85 2vbiE1 THR 292 HB 0.14 -0.07 -0.23 -0.04 4.32 4.12 2vbiE1 THR 292 HG23 -0.15 0.02 -0.08 -0.04 1.22 0.98 2vbiE1 VAL 293 H 0.18 0.22 -0.82 -0.55 8.24 7.27 2vbiE1 VAL 293 HA -0.11 0.11 0.31 -0.75 4.13 3.68 2vbiE1 VAL 293 HB -0.03 0.01 -0.00 -0.04 2.12 2.05 2vbiE1 VAL 293 HG13 -0.23 -0.01 0.04 -0.04 0.97 0.72 2vbiE1 VAL 293 HG23 0.01 0.03 -0.25 -0.04 0.95 0.71 2vbiE1 GLY 294 H -0.36 0.66 0.12 -0.55 8.43 8.30 2vbiE1 GLY 294 HA2 -0.51 0.01 0.31 -0.51 4.01 3.32 2vbiE1 GLY 294 HA3 -0.20 0.11 0.33 -0.51 4.01 3.73 2vbiE1 TRP 295 H -0.51 -0.02 -0.50 -0.55 7.97 6.40 2vbiE1 TRP 295 HA 0.11 -0.04 0.10 -0.75 4.62 4.03 2vbiE1 TRP 295 HB2 0.09 0.20 -0.02 -0.04 3.23 3.46 2vbiE1 TRP 295 HB3 0.22 -0.00 0.06 -0.04 3.23 3.48 2vbiE1 TRP 295 HD1 0.02 0.13 -0.22 -0.04 7.22 7.11 2vbiE1 TRP 295 HE1 -0.01 0.04 -0.09 -0.04 10.20 10.09 2vbiE1 TRP 295 HE3 -0.39 0.05 -0.15 -0.04 7.59 7.06 2vbiE1 TRP 295 HZ2 -0.07 0.01 -0.05 -0.04 7.44 7.29 2vbiE1 TRP 295 HZ3 -0.91 0.09 -0.30 -0.04 7.13 5.96 2vbiE1 TRP 295 HH2 -0.21 0.02 -0.07 -0.04 7.19 6.89 2vbiE1 SER 296 H 0.08 0.37 -0.50 -0.55 8.46 7.87 2vbiE1 SER 296 HA 0.16 0.13 0.61 -0.75 4.49 4.64 2vbiE1 SER 296 HB2 0.06 -0.09 0.08 -0.04 3.95 3.96 2vbiE1 SER 296 HB3 0.05 0.06 0.03 -0.04 3.93 4.03 2vbiE1 ALA 297 H 0.16 0.53 -0.10 -0.55 8.40 8.45 2vbiE1 ALA 297 HA 0.22 0.19 0.80 -0.75 4.34 4.80 2vbiE1 ALA 297 HB3 0.09 -0.03 0.02 -0.04 1.41 1.45 2vbiE1 TRP 298 H 0.30 0.29 -0.26 -0.55 7.97 7.74 2vbiE1 TRP 298 HA -0.16 0.17 0.81 -0.75 4.62 4.68 2vbiE1 TRP 298 HB2 0.14 -0.11 -0.32 -0.04 3.23 2.89 2vbiE1 TRP 298 HB3 0.06 0.08 -0.02 -0.04 3.23 3.31 2vbiE1 TRP 298 HD1 -1.42 0.12 -0.19 -0.04 7.22 5.69 2vbiE1 TRP 298 HE1 -0.28 -0.00 -0.10 -0.04 10.20 9.77 2vbiE1 TRP 298 HE3 0.20 0.05 -0.07 -0.04 7.59 7.74 2vbiE1 TRP 298 HZ2 0.06 -0.00 -0.05 -0.04 7.44 7.40 2vbiE1 TRP 298 HZ3 -0.28 0.00 -0.06 -0.04 7.13 6.75 2vbiE1 TRP 298 HH2 -0.12 -0.01 -0.05 -0.04 7.19 6.97 2vbiE1 PRO 299 HA -0.05 0.08 0.36 -0.51 4.44 4.32 2vbiE1 PRO 299 HB2 0.04 0.03 -0.08 -0.04 2.28 2.22 2vbiE1 PRO 299 HB3 -0.00 0.11 -0.05 -0.04 2.02 2.04 2vbiE1 PRO 299 HG2 0.18 0.02 -0.07 -0.04 2.03 2.13 2vbiE1 PRO 299 HG3 0.13 0.01 -0.12 -0.04 2.03 2.01 2vbiE1 PRO 299 HD2 -0.06 0.06 0.07 -0.04 3.68 3.71 2vbiE1 PRO 299 HD3 0.35 0.20 -0.11 -0.04 3.65 4.06 2vbiE1 LYS 300 H -0.15 0.32 0.25 -0.55 8.42 8.28 2vbiE1 LYS 300 HA -0.12 0.11 0.49 -0.75 4.32 4.04 2vbiE1 LYS 300 HB2 -0.29 -0.12 0.11 -0.04 1.87 1.53 2vbiE1 LYS 300 HB3 -0.50 0.10 -0.10 -0.04 1.79 1.25 2vbiE1 LYS 300 HG2 -0.73 0.21 -0.17 -0.04 1.46 0.72 2vbiE1 LYS 300 HG3 -0.37 -0.02 -0.14 -0.04 1.46 0.89 2vbiE1 LYS 300 HD2 -0.49 -0.03 -0.07 -0.04 1.69 1.05 2vbiE1 LYS 300 HD3 -0.67 -0.03 -0.06 -0.04 1.68 0.87 2vbiE1 LYS 300 HE2 -1.27 -0.05 -0.06 -0.04 2.99 1.57 2vbiE1 LYS 300 HE3 -3.17 -0.01 -0.11 -0.04 2.99 -0.35 2vbiE1 GLY 301 H -0.10 0.12 0.14 -0.55 8.43 8.04 2vbiE1 GLY 301 HA2 -0.08 0.02 0.33 -0.51 4.01 3.77 2vbiE1 GLY 301 HA3 -0.08 0.21 0.77 -0.51 4.01 4.40 2vbiE1 PRO 302 HA -0.01 -0.02 0.30 -0.51 4.44 4.20 2vbiE1 PRO 302 HB2 -0.01 0.11 0.03 -0.04 2.28 2.37 2vbiE1 PRO 302 HB3 -0.01 -0.00 0.12 -0.04 2.02 2.09 2vbiE1 PRO 302 HG2 -0.02 0.08 0.12 -0.04 2.03 2.17 2vbiE1 PRO 302 HG3 -0.02 0.04 0.10 -0.04 2.03 2.11 2vbiE1 PRO 302 HD2 -0.05 0.18 0.26 -0.04 3.68 4.04 2vbiE1 PRO 302 HD3 -0.04 0.09 0.21 -0.04 3.65 3.87 2vbiE1 ASN 303 H -0.02 0.10 -0.26 -0.55 8.53 7.81 2vbiE1 ASN 303 HA 0.00 0.17 0.48 -0.75 4.76 4.66 2vbiE1 ASN 303 HB2 -0.01 -0.03 -0.03 -0.04 2.88 2.77 2vbiE1 ASN 303 HB3 -0.01 0.10 -0.01 -0.04 2.79 2.84 2vbiE1 ASN 303 HD21 -0.01 -0.06 0.01 -0.04 7.03 6.93 2vbiE1 ASN 303 HD22 -0.01 0.02 -0.01 -0.04 7.74 7.70 2vbiE1 VAL 304 H 0.00 0.43 -0.44 -0.55 8.24 7.68 2vbiE1 VAL 304 HA 0.02 0.20 0.99 -0.75 4.13 4.58 2vbiE1 VAL 304 HB 0.00 -0.03 -0.03 -0.04 2.12 2.03 2vbiE1 VAL 304 HG13 0.08 0.01 -0.27 -0.04 0.97 0.75 2vbiE1 VAL 304 HG23 -0.01 -0.01 -0.40 -0.04 0.95 0.48 2vbiE1 ILE 305 H 0.05 0.68 0.22 -0.55 8.25 8.65 2vbiE1 ILE 305 HA 0.07 0.21 0.98 -0.75 4.18 4.67 2vbiE1 ILE 305 HB 0.08 -0.05 0.19 -0.04 1.89 2.06 2vbiE1 ILE 305 HG12 0.07 -0.03 -0.07 -0.04 1.49 1.43 2vbiE1 ILE 305 HG13 0.05 -0.02 -0.25 -0.04 1.21 0.96 2vbiE1 ILE 305 HG23 0.13 -0.02 -0.18 -0.04 0.93 0.82 2vbiE1 ILE 305 HD13 0.06 0.01 -0.17 -0.04 0.88 0.73 2vbiE1 LEU 306 H 0.06 0.60 0.22 -0.55 8.37 8.71 2vbiE1 LEU 306 HA 0.10 0.19 0.78 -0.75 4.35 4.67 2vbiE1 LEU 306 HB2 0.10 0.03 0.07 -0.04 1.64 1.80 2vbiE1 LEU 306 HB3 0.07 -0.08 0.28 -0.04 1.64 1.87 2vbiE1 LEU 306 HG 0.09 -0.05 -0.13 -0.04 1.64 1.51 2vbiE1 LEU 306 HD13 0.24 0.04 -0.01 -0.04 0.93 1.16 2vbiE1 LEU 306 HD23 0.14 -0.02 -0.01 -0.04 0.89 0.97 2vbiE1 ALA 307 H 0.06 0.81 0.38 -0.55 8.40 9.10 2vbiE1 ALA 307 HA -0.08 0.14 1.09 -0.75 4.34 4.74 2vbiE1 ALA 307 HB3 0.07 -0.00 0.02 -0.04 1.41 1.45 2vbiE1 GLU 308 H -0.05 0.62 0.37 -0.55 8.60 8.99 2vbiE1 GLU 308 HA -0.01 0.11 0.82 -0.75 4.29 4.46 2vbiE1 GLU 308 HB2 -0.04 -0.07 0.14 -0.04 2.09 2.08 2vbiE1 GLU 308 HB3 -0.01 0.07 0.19 -0.04 1.99 2.19 2vbiE1 GLU 308 HG2 0.03 0.04 -0.08 -0.04 2.34 2.29 2vbiE1 GLU 308 HG3 0.02 0.01 -0.16 -0.04 2.34 2.17 2vbiE1 PRO 309 HA -0.01 0.02 0.38 -0.51 4.44 4.32 2vbiE1 PRO 309 HB2 -0.04 0.07 0.05 -0.04 2.28 2.32 2vbiE1 PRO 309 HB3 -0.03 0.10 0.17 -0.04 2.02 2.22 2vbiE1 PRO 309 HG2 -0.03 0.12 0.11 -0.04 2.03 2.18 2vbiE1 PRO 309 HG3 -0.03 0.05 0.13 -0.04 2.03 2.14 2vbiE1 PRO 309 HD2 -0.03 0.10 0.21 -0.04 3.68 3.93 2vbiE1 PRO 309 HD3 -0.02 0.09 0.27 -0.04 3.65 3.95 2vbiE1 ASP 310 H -0.09 -0.10 -0.70 -0.55 8.40 6.96 2vbiE1 ASP 310 HA -0.13 0.22 0.65 -0.75 4.63 4.63 2vbiE1 ASP 310 HB2 -0.07 -0.01 -0.07 -0.04 2.71 2.52 2vbiE1 ASP 310 HB3 -0.10 -0.02 -0.12 -0.04 2.70 2.42 2vbiE1 ARG 311 H -0.16 0.21 0.07 -0.55 8.46 8.02 2vbiE1 ARG 311 HA -0.46 0.22 0.89 -0.75 4.34 4.23 2vbiE1 ARG 311 HB2 -0.12 0.06 -0.03 -0.04 1.90 1.76 2vbiE1 ARG 311 HB3 -0.16 0.02 -0.39 -0.04 1.80 1.23 2vbiE1 ARG 311 HG2 -0.07 -0.15 -0.04 -0.04 1.67 1.37 2vbiE1 ARG 311 HG3 -0.05 0.04 -0.28 -0.04 1.67 1.34 2vbiE1 ARG 311 HD2 -0.04 0.00 -0.09 -0.04 3.22 3.06 2vbiE1 ARG 311 HD3 -0.02 0.01 -0.10 -0.04 3.22 3.07 2vbiE1 VAL 312 H -0.06 0.66 0.39 -0.55 8.24 8.68 2vbiE1 VAL 312 HA -0.09 0.31 1.11 -0.75 4.13 4.71 2vbiE1 VAL 312 HB -0.04 -0.05 0.09 -0.04 2.12 2.08 2vbiE1 VAL 312 HG13 -0.17 0.01 -0.23 -0.04 0.97 0.54 2vbiE1 VAL 312 HG23 -0.93 -0.02 -0.20 -0.04 0.95 -0.24 2vbiE1 THR 313 H 0.02 0.71 0.34 -0.55 8.28 8.80 2vbiE1 THR 313 HA 0.10 0.30 1.19 -0.75 4.39 5.22 2vbiE1 THR 313 HB 0.04 -0.02 0.20 -0.04 4.32 4.50 2vbiE1 THR 313 HG23 0.02 -0.02 -0.19 -0.04 1.22 0.99 2vbiE1 VAL 314 H 0.18 0.66 0.25 -0.55 8.24 8.78 2vbiE1 VAL 314 HA 0.08 0.21 0.89 -0.75 4.13 4.56 2vbiE1 VAL 314 HB 0.10 0.01 -0.19 -0.04 2.12 1.99 2vbiE1 VAL 314 HG13 0.16 0.00 -0.11 -0.04 0.97 0.98 2vbiE1 VAL 314 HG23 0.08 0.02 -0.21 -0.04 0.95 0.79 2vbiE1 ASP 315 H 0.05 0.32 0.15 -0.55 8.40 8.38 2vbiE1 ASP 315 HA 0.03 0.09 0.37 -0.75 4.63 4.37 2vbiE1 ASP 315 HB2 0.06 0.04 -0.11 -0.04 2.71 2.66 2vbiE1 ASP 315 HB3 0.09 0.12 -0.02 -0.04 2.70 2.85 2vbiE1 GLY 316 H 0.03 0.06 -0.18 -0.55 8.43 7.79 2vbiE1 GLY 316 HA2 -0.00 -0.04 0.22 -0.51 4.01 3.68 2vbiE1 GLY 316 HA3 0.00 0.09 0.36 -0.51 4.01 3.95 2vbiE1 ARG 317 H 0.03 0.25 -0.29 -0.55 8.46 7.90 2vbiE1 ARG 317 HA -0.12 0.10 0.72 -0.75 4.34 4.28 2vbiE1 ARG 317 HB2 -0.00 0.14 -0.03 -0.04 1.90 1.96 2vbiE1 ARG 317 HB3 -0.62 -0.00 -0.11 -0.04 1.80 1.02 2vbiE1 ARG 317 HG2 -0.13 -0.03 0.09 -0.04 1.67 1.56 2vbiE1 ARG 317 HG3 -0.03 0.09 -0.24 -0.04 1.67 1.45 2vbiE1 ARG 317 HD2 0.08 0.03 -0.05 -0.04 3.22 3.24 2vbiE1 ARG 317 HD3 -0.15 -0.04 -0.03 -0.04 3.22 2.96 2vbiE1 ALA 318 H -0.20 0.17 0.14 -0.55 8.40 7.97 2vbiE1 ALA 318 HA -0.03 0.27 1.05 -0.75 4.34 4.88 2vbiE1 ALA 318 HB3 -0.06 -0.01 0.01 -0.04 1.41 1.30 2vbiE1 TYR 319 H 0.16 0.80 0.38 -0.55 8.29 9.08 2vbiE1 TYR 319 HA 0.04 0.12 0.95 -0.75 4.56 4.91 2vbiE1 TYR 319 HB2 0.19 -0.03 0.17 -0.04 3.06 3.35 2vbiE1 TYR 319 HB3 0.26 0.04 0.04 -0.04 2.98 3.27 2vbiE1 TYR 319 HD2 0.07 0.08 -0.03 -0.04 7.15 7.23 2vbiE1 TYR 319 HE2 0.04 0.06 -0.10 -0.04 6.85 6.81 2vbiE1 ASP 320 H 0.04 0.17 0.18 -0.55 8.40 8.25 2vbiE1 ASP 320 HA -0.39 0.26 1.08 -0.75 4.63 4.82 2vbiE1 ASP 320 HB2 -0.14 0.08 0.13 -0.04 2.71 2.73 2vbiE1 ASP 320 HB3 -0.09 -0.04 -0.12 -0.04 2.70 2.41 2vbiE1 GLY 321 H -0.27 0.37 0.28 -0.55 8.43 8.27 2vbiE1 GLY 321 HA2 -0.07 0.06 0.34 -0.51 4.01 3.83 2vbiE1 GLY 321 HA3 -0.01 0.05 0.61 -0.51 4.01 4.16 2vbiE1 PHE 322 H -0.57 0.37 0.10 -0.55 8.34 7.69 2vbiE1 PHE 322 HA -0.03 0.09 0.59 -0.75 4.62 4.52 2vbiE1 PHE 322 HB2 -0.01 -0.01 0.02 -0.04 3.15 3.11 2vbiE1 PHE 322 HB3 -0.04 0.01 -0.10 -0.04 3.06 2.89 2vbiE1 PHE 322 HD2 0.03 0.13 -0.50 -0.04 7.28 6.90 2vbiE1 PHE 322 HE2 -0.10 0.01 -0.37 -0.04 7.38 6.87 2vbiE1 PHE 322 HZ -0.16 0.01 -0.14 -0.04 7.32 6.98 2vbiE1 THR 323 H 0.17 0.06 0.14 -0.55 8.28 8.09 2vbiE1 THR 323 HA 0.04 0.37 0.76 -0.75 4.39 4.80 2vbiE1 THR 323 HB 0.05 0.07 0.20 -0.04 4.32 4.60 2vbiE1 THR 323 HG23 0.03 0.05 0.07 -0.04 1.22 1.33 2vbiE1 LEU 324 H 0.06 0.51 0.23 -0.55 8.37 8.63 2vbiE1 LEU 324 HA 0.22 0.07 0.35 -0.75 4.35 4.23 2vbiE1 LEU 324 HB2 0.04 0.09 0.02 -0.04 1.64 1.74 2vbiE1 LEU 324 HB3 0.05 0.06 0.11 -0.04 1.64 1.82 2vbiE1 LEU 324 HG 0.12 -0.06 -0.25 -0.04 1.64 1.41 2vbiE1 LEU 324 HD13 0.13 0.03 -0.18 -0.04 0.93 0.86 2vbiE1 LEU 324 HD23 0.03 -0.00 -0.17 -0.04 0.89 0.71 2vbiE1 ARG 325 H 0.07 0.21 -0.10 -0.55 8.46 8.09 2vbiE1 ARG 325 HA 0.06 0.05 0.37 -0.75 4.34 4.05 2vbiE1 ARG 325 HB2 0.02 0.33 0.11 -0.04 1.90 2.32 2vbiE1 ARG 325 HB3 0.04 -0.08 0.09 -0.04 1.80 1.80 2vbiE1 ARG 325 HG2 0.02 -0.16 0.09 -0.04 1.67 1.57 2vbiE1 ARG 325 HG3 0.00 0.38 0.17 -0.04 1.67 2.19 2vbiE1 ARG 325 HD2 0.02 -0.08 -0.12 -0.04 3.22 3.00 2vbiE1 ARG 325 HD3 0.01 -0.06 -0.06 -0.04 3.22 3.06 2vbiE1 ALA 326 H 0.10 0.10 -0.25 -0.55 8.40 7.80 2vbiE1 ALA 326 HA 0.02 0.07 0.46 -0.75 4.34 4.14 2vbiE1 ALA 326 HB3 0.05 0.02 0.06 -0.04 1.41 1.50 2vbiE1 PHE 327 H 0.25 0.39 -0.36 -0.55 8.34 8.07 2vbiE1 PHE 327 HA -0.20 0.01 0.40 -0.75 4.62 4.07 2vbiE1 PHE 327 HB2 0.07 -0.01 -0.05 -0.04 3.15 3.11 2vbiE1 PHE 327 HB3 0.11 0.17 0.09 -0.04 3.06 3.39 2vbiE1 PHE 327 HD2 -0.15 0.01 -0.13 -0.04 7.28 6.96 2vbiE1 PHE 327 HE2 -0.05 0.01 -0.30 -0.04 7.38 7.00 2vbiE1 PHE 327 HZ -0.01 0.03 -0.15 -0.04 7.32 7.15 2vbiE1 LEU 328 H 0.12 0.59 -0.09 -0.55 8.37 8.44 2vbiE1 LEU 328 HA -0.21 0.04 0.32 -0.75 4.35 3.75 2vbiE1 LEU 328 HB2 0.04 0.03 0.06 -0.04 1.64 1.73 2vbiE1 LEU 328 HB3 0.01 0.02 -0.13 -0.04 1.64 1.49 2vbiE1 LEU 328 HG 0.23 0.15 -0.01 -0.04 1.64 1.98 2vbiE1 LEU 328 HD13 0.07 -0.02 -0.12 -0.04 0.93 0.82 2vbiE1 LEU 328 HD23 0.12 -0.01 -0.09 -0.04 0.89 0.87 2vbiE1 GLN 329 H -0.03 0.51 -0.14 -0.55 8.47 8.27 2vbiE1 GLN 329 HA -0.04 0.06 0.55 -0.75 4.36 4.18 2vbiE1 GLN 329 HB2 -0.02 0.09 0.17 -0.04 2.15 2.35 2vbiE1 GLN 329 HB3 -0.03 -0.01 -0.06 -0.04 2.02 1.88 2vbiE1 GLN 329 HG2 -0.01 -0.01 0.01 -0.04 2.40 2.35 2vbiE1 GLN 329 HG3 -0.01 -0.04 0.04 -0.04 2.39 2.33 2vbiE1 GLN 329 HE21 0.01 -0.04 -0.08 -0.04 6.97 6.82 2vbiE1 GLN 329 HE22 0.00 -0.00 -0.02 -0.04 7.69 7.63 2vbiE1 ALA 330 H -0.11 0.50 -0.16 -0.55 8.40 8.09 2vbiE1 ALA 330 HA -0.08 0.01 0.38 -0.75 4.34 3.89 2vbiE1 ALA 330 HB3 -0.13 0.01 0.07 -0.04 1.41 1.32 2vbiE1 LEU 331 H -0.32 0.51 -0.24 -0.55 8.37 7.78 2vbiE1 LEU 331 HA -0.24 -0.00 0.40 -0.75 4.35 3.75 2vbiE1 LEU 331 HB2 -0.81 0.02 0.04 -0.04 1.64 0.85 2vbiE1 LEU 331 HB3 -0.38 0.07 0.07 -0.04 1.64 1.35 2vbiE1 LEU 331 HG -0.17 0.03 -0.16 -0.04 1.64 1.30 2vbiE1 LEU 331 HD13 -0.18 -0.01 -0.08 -0.04 0.93 0.62 2vbiE1 LEU 331 HD23 -0.25 -0.01 -0.11 -0.04 0.89 0.49 2vbiE1 ALA 332 H -0.13 0.40 -0.30 -0.55 8.40 7.82 2vbiE1 ALA 332 HA -0.06 0.06 0.41 -0.75 4.34 3.99 2vbiE1 ALA 332 HB3 -0.04 0.03 0.03 -0.04 1.41 1.40 2vbiE1 GLU 333 H -0.07 0.26 -0.33 -0.55 8.60 7.91 2vbiE1 GLU 333 HA -0.03 0.04 0.53 -0.75 4.29 4.07 2vbiE1 GLU 333 HB2 -0.05 0.07 0.02 -0.04 2.09 2.09 2vbiE1 GLU 333 HB3 -0.03 -0.09 0.05 -0.04 1.99 1.88 2vbiE1 GLU 333 HG2 -0.05 0.21 0.12 -0.04 2.34 2.57 2vbiE1 GLU 333 HG3 -0.05 -0.08 0.06 -0.04 2.34 2.23 2vbiE1 LYS 334 H -0.07 0.24 -0.27 -0.55 8.42 7.76 2vbiE1 LYS 334 HA -0.04 0.12 0.52 -0.75 4.32 4.16 2vbiE1 LYS 334 HB2 -0.08 0.04 0.03 -0.04 1.87 1.82 2vbiE1 LYS 334 HB3 -0.05 -0.06 0.01 -0.04 1.79 1.65 2vbiE1 LYS 334 HG2 -0.06 -0.01 -0.11 -0.04 1.46 1.24 2vbiE1 LYS 334 HG3 -0.06 -0.07 -0.06 -0.04 1.46 1.23 2vbiE1 LYS 334 HD2 -0.03 0.04 -0.03 -0.04 1.69 1.63 2vbiE1 LYS 334 HD3 -0.03 -0.00 -0.12 -0.04 1.68 1.49 2vbiE1 LYS 334 HE2 -0.03 -0.01 -0.04 -0.04 2.99 2.87 2vbiE1 LYS 334 HE3 -0.02 -0.04 -0.04 -0.04 2.99 2.85 2vbiE1 ALA 335 H -0.06 0.32 -0.03 -0.55 8.40 8.08 2vbiE1 ALA 335 HA -0.04 -0.03 0.33 -0.75 4.34 3.85 2vbiE1 ALA 335 HB3 -0.04 0.00 0.02 -0.04 1.41 1.35 2vbiE1 PRO 336 HA -0.01 0.07 0.61 -0.51 4.44 4.61 2vbiE1 PRO 336 HB2 -0.00 0.11 -0.00 -0.04 2.28 2.34 2vbiE1 PRO 336 HB3 -0.01 -0.04 0.09 -0.04 2.02 2.02 2vbiE1 PRO 336 HG2 -0.01 0.09 -0.22 -0.04 2.03 1.85 2vbiE1 PRO 336 HG3 -0.01 0.00 -0.22 -0.04 2.03 1.76 2vbiE1 PRO 336 HD2 -0.02 0.02 0.13 -0.04 3.68 3.77 2vbiE1 PRO 336 HD3 -0.02 0.11 0.14 -0.04 3.65 3.85 2vbiE1 ALA 337 H -0.00 0.03 0.15 -0.55 8.40 8.04 2vbiE1 ALA 337 HA 0.01 0.29 0.85 -0.75 4.34 4.73 2vbiE1 ALA 337 HB3 0.01 -0.03 0.10 -0.04 1.41 1.45 2vbiE1 ARG 338 H 0.01 0.81 0.22 -0.55 8.46 8.95 2vbiE1 ARG 338 HA 0.01 0.12 0.87 -0.75 4.34 4.59 2vbiE1 ARG 338 HB2 0.00 0.03 -0.01 -0.04 1.90 1.88 2vbiE1 ARG 338 HB3 0.00 -0.13 0.16 -0.04 1.80 1.79 2vbiE1 ARG 338 HG2 0.00 -0.03 -0.12 -0.04 1.67 1.48 2vbiE1 ARG 338 HG3 0.00 0.01 0.01 -0.04 1.67 1.66 2vbiE1 ARG 338 HD2 0.00 0.27 -0.04 -0.04 3.22 3.41 2vbiE1 ARG 338 HD3 -0.00 -0.10 -0.38 -0.04 3.22 2.70 2vbiE1 PRO 339 HA 0.02 0.25 0.22 -0.51 4.44 4.42 2vbiE1 PRO 339 HB2 0.01 -0.06 -0.00 -0.04 2.28 2.19 2vbiE1 PRO 339 HB3 0.02 0.10 0.06 -0.04 2.02 2.16 2vbiE1 PRO 339 HG2 0.01 -0.02 0.02 -0.04 2.03 2.00 2vbiE1 PRO 339 HG3 0.01 0.05 -0.01 -0.04 2.03 2.05 2vbiE1 PRO 339 HD2 0.01 0.05 0.15 -0.04 3.68 3.85 2vbiE1 PRO 339 HD3 0.01 0.27 -0.16 -0.04 3.65 3.73 2vbiE1 ALA 340 H 0.01 0.25 -0.14 -0.55 8.40 7.97 2vbiE1 ALA 340 HA 0.01 -0.01 0.25 -0.75 4.34 3.83 2vbiE1 ALA 340 HB3 0.00 0.03 0.08 -0.04 1.41 1.48 2vbiE1 SER 341 H 0.00 0.22 -0.20 -0.55 8.46 7.93 2vbiE1 SER 341 HA -0.01 0.04 0.32 -0.75 4.49 4.09 2vbiE1 SER 341 HB2 -0.01 -0.25 0.03 -0.04 3.95 3.68 2vbiE1 SER 341 HB3 -0.02 0.01 -0.03 -0.04 3.93 3.85 2vbiE1 ALA 342 H 0.01 0.34 -0.08 -0.55 8.40 8.11 2vbiE1 ALA 342 HA 0.01 0.07 0.48 -0.75 4.34 4.15 2vbiE1 ALA 342 HB3 0.04 0.03 0.01 -0.04 1.41 1.44 2vbiE1 GLN 343 H 0.01 0.40 -0.07 -0.55 8.47 8.26 2vbiE1 GLN 343 HA 0.01 0.11 0.43 -0.75 4.36 4.17 2vbiE1 GLN 343 HB2 0.01 -0.07 0.09 -0.04 2.15 2.14 2vbiE1 GLN 343 HB3 0.01 -0.02 0.04 -0.04 2.02 2.01 2vbiE1 GLN 343 HG2 0.01 0.17 -0.16 -0.04 2.40 2.39 2vbiE1 GLN 343 HG3 0.01 -0.00 -0.10 -0.04 2.39 2.25 2vbiE1 GLN 343 HE21 0.01 -0.02 -0.04 -0.04 6.97 6.87 2vbiE1 GLN 343 HE22 0.01 -0.00 -0.06 -0.04 7.69 7.59 2vbiE1 LYS 344 H 0.01 0.31 -0.53 -0.55 8.42 7.65 2vbiE1 LYS 344 HA 0.01 0.07 0.73 -0.75 4.32 4.37 2vbiE1 LYS 344 HB2 0.00 0.24 0.09 -0.04 1.87 2.16 2vbiE1 LYS 344 HB3 0.00 -0.10 0.13 -0.04 1.79 1.78 2vbiE1 LYS 344 HG2 0.00 -0.08 -0.02 -0.04 1.46 1.33 2vbiE1 LYS 344 HG3 0.00 -0.06 0.02 -0.04 1.46 1.38 2vbiE1 LYS 344 HD2 0.01 -0.02 -0.22 -0.04 1.69 1.41 2vbiE1 LYS 344 HD3 0.00 0.38 0.01 -0.04 1.68 2.03 2vbiE1 LYS 344 HE2 0.00 -0.04 -0.02 -0.04 2.99 2.90 2vbiE1 LYS 344 HE3 0.00 -0.03 -0.04 -0.04 2.99 2.88 2vbiE1 SER 345 H 0.01 0.46 -0.37 -0.55 8.46 8.01 2vbiE1 SER 345 HA 0.00 -0.02 0.67 -0.75 4.49 4.39 2vbiE1 SER 345 HB2 -0.01 -0.05 0.01 -0.04 3.95 3.87 2vbiE1 SER 345 HB3 -0.01 -0.01 -0.21 -0.04 3.93 3.66 2vbiE1 SER 346 H 0.00 0.06 0.11 -0.55 8.46 8.09 2vbiE1 SER 346 HA 0.02 0.15 0.61 -0.75 4.49 4.51 2vbiE1 SER 346 HB2 0.01 -0.04 0.02 -0.04 3.95 3.91 2vbiE1 SER 346 HB3 0.02 0.05 0.04 -0.04 3.93 3.99 2vbiE1 VAL 347 H 0.03 0.04 0.16 -0.55 8.24 7.92 2vbiE1 VAL 347 HA 0.04 0.29 0.59 -0.75 4.13 4.29 2vbiE1 VAL 347 HB 0.08 0.10 0.14 -0.04 2.12 2.39 2vbiE1 VAL 347 HG13 0.04 -0.05 0.07 -0.04 0.97 0.99 2vbiE1 VAL 347 HG23 0.12 0.03 -0.06 -0.04 0.95 1.00 2vbiE1 PRO 348 HA 0.02 -0.00 0.34 -0.51 4.44 4.29 2vbiE1 PRO 348 HB2 0.05 -0.04 -0.07 -0.04 2.28 2.18 2vbiE1 PRO 348 HB3 -0.05 0.10 0.01 -0.04 2.02 2.04 2vbiE1 PRO 348 HG2 0.21 0.01 -0.00 -0.04 2.03 2.20 2vbiE1 PRO 348 HG3 -0.24 -0.13 -0.25 -0.04 2.03 1.37 2vbiE1 PRO 348 HD2 0.10 0.19 0.13 -0.04 3.68 4.06 2vbiE1 PRO 348 HD3 -0.12 0.17 0.11 -0.04 3.65 3.77 2vbiE1 THR 349 H 0.04 0.14 0.24 -0.55 8.28 8.14 2vbiE1 THR 349 HA 0.05 0.21 0.79 -0.75 4.39 4.69 2vbiE1 THR 349 HB 0.04 0.14 -0.07 -0.04 4.32 4.38 2vbiE1 THR 349 HG23 0.03 -0.02 -0.04 -0.04 1.22 1.15 2vbiE1 CYS 350 H 0.04 0.22 0.06 -0.55 8.50 8.27 2vbiE1 CYS 350 HA 0.04 0.11 0.93 -0.75 4.58 4.91 2vbiE1 CYS 350 HB2 0.05 0.07 -0.26 -0.04 2.97 2.79 2vbiE1 CYS 350 HB3 0.04 0.04 0.06 -0.04 2.97 3.07 2vbiE1 SER 351 H 0.03 0.15 0.09 -0.55 8.46 8.18 2vbiE1 SER 351 HA 0.02 0.07 0.41 -0.75 4.49 4.23 2vbiE1 SER 351 HB2 0.02 0.03 0.12 -0.04 3.95 4.08 2vbiE1 SER 351 HB3 0.02 -0.05 0.09 -0.04 3.93 3.94 2vbiE1 LEU 352 H 0.02 0.25 0.19 -0.55 8.37 8.28 2vbiE1 LEU 352 HA 0.02 0.09 0.96 -0.75 4.35 4.66 2vbiE1 LEU 352 HB2 0.02 0.03 0.12 -0.04 1.64 1.76 2vbiE1 LEU 352 HB3 0.02 -0.02 -0.07 -0.04 1.64 1.52 2vbiE1 LEU 352 HG 0.02 0.13 -0.30 -0.04 1.64 1.45 2vbiE1 LEU 352 HD13 0.01 0.02 -0.07 -0.04 0.93 0.85 2vbiE1 LEU 352 HD23 0.02 0.00 -0.01 -0.04 0.89 0.87 2vbiE1 THR 353 H 0.01 0.08 0.08 -0.55 8.28 7.90 2vbiE1 THR 353 HA 0.01 0.10 0.47 -0.75 4.39 4.22 2vbiE1 THR 353 HB 0.01 0.03 0.05 -0.04 4.32 4.37 2vbiE1 THR 353 HG23 0.01 -0.03 0.05 -0.04 1.22 1.21 2vbiE1 ALA 354 H 0.01 0.16 0.22 -0.55 8.40 8.24 2vbiE1 ALA 354 HA 0.03 0.07 0.69 -0.75 4.34 4.38 2vbiE1 ALA 354 HB3 0.02 0.04 0.08 -0.04 1.41 1.51 2vbiE1 THR 355 H 0.03 0.12 0.14 -0.55 8.28 8.02 2vbiE1 THR 355 HA 0.02 0.18 0.78 -0.75 4.39 4.61 2vbiE1 THR 355 HB 0.02 -0.02 -0.09 -0.04 4.32 4.18 2vbiE1 THR 355 HG23 0.03 0.07 -0.07 -0.04 1.22 1.21 2vbiE1 SER 356 H 0.01 0.08 0.16 -0.55 8.46 8.16 2vbiE1 SER 356 HA 0.02 0.28 0.92 -0.75 4.49 4.96 2vbiE1 SER 356 HB2 0.01 0.03 0.17 -0.04 3.95 4.13 2vbiE1 SER 356 HB3 0.01 0.09 0.10 -0.04 3.93 4.09 2vbiE1 ASP 357 H 0.02 0.21 0.15 -0.55 8.40 8.24 2vbiE1 ASP 357 HA 0.04 0.05 0.35 -0.75 4.63 4.32 2vbiE1 ASP 357 HB2 0.02 -0.00 0.17 -0.04 2.71 2.85 2vbiE1 ASP 357 HB3 0.02 0.02 -0.04 -0.04 2.70 2.66 2vbiE1 GLU 358 H 0.01 0.03 -0.23 -0.55 8.60 7.87 2vbiE1 GLU 358 HA 0.01 0.12 0.55 -0.75 4.29 4.21 2vbiE1 GLU 358 HB2 0.01 0.00 -0.00 -0.04 2.09 2.06 2vbiE1 GLU 358 HB3 0.01 0.04 0.09 -0.04 1.99 2.10 2vbiE1 GLU 358 HG2 0.01 -0.13 -0.06 -0.04 2.34 2.12 2vbiE1 GLU 358 HG3 0.01 0.06 -0.01 -0.04 2.34 2.36 2vbiE1 ALA 359 H 0.01 0.04 -0.22 -0.55 8.40 7.69 2vbiE1 ALA 359 HA 0.01 0.05 0.56 -0.75 4.34 4.20 2vbiE1 ALA 359 HB3 0.01 0.01 0.12 -0.04 1.41 1.51 2vbiE1 GLY 360 H 0.00 0.04 0.19 -0.55 8.43 8.11 2vbiE1 GLY 360 HA2 -0.00 0.20 0.63 -0.51 4.01 4.32 2vbiE1 GLY 360 HA3 0.00 -0.02 0.39 -0.51 4.01 3.87 2vbiE1 LEU 361 H -0.01 0.47 0.24 -0.55 8.37 8.53 2vbiE1 LEU 361 HA -0.02 -0.01 0.26 -0.75 4.35 3.82 2vbiE1 LEU 361 HB2 -0.02 -0.09 -0.46 -0.04 1.64 1.03 2vbiE1 LEU 361 HB3 -0.01 0.28 -0.05 -0.04 1.64 1.82 2vbiE1 LEU 361 HG -0.03 -0.02 -0.29 -0.04 1.64 1.26 2vbiE1 LEU 361 HD13 -0.10 -0.01 -0.32 -0.04 0.93 0.46 2vbiE1 LEU 361 HD23 -0.02 -0.02 -0.28 -0.04 0.89 0.52 2vbiE1 THR 362 H -0.02 0.16 0.13 -0.55 8.28 8.00 2vbiE1 THR 362 HA -0.01 0.15 0.85 -0.75 4.39 4.64 2vbiE1 THR 362 HB 0.00 -0.01 0.08 -0.04 4.32 4.35 2vbiE1 THR 362 HG23 0.00 -0.07 -0.05 -0.04 1.22 1.07 2vbiE1 ASN 363 H -0.01 0.25 0.14 -0.55 8.53 8.37 2vbiE1 ASN 363 HA -0.01 0.06 0.41 -0.75 4.76 4.47 2vbiE1 ASN 363 HB2 -0.01 0.28 0.17 -0.04 2.88 3.29 2vbiE1 ASN 363 HB3 -0.00 -0.05 0.05 -0.04 2.79 2.75 2vbiE1 ASN 363 HD21 0.02 -0.05 -0.11 -0.04 7.03 6.85 2vbiE1 ASN 363 HD22 0.01 0.03 -0.21 -0.04 7.74 7.52 2vbiE1 ASP 364 H 0.00 0.12 -0.12 -0.55 8.40 7.86 2vbiE1 ASP 364 HA 0.01 0.10 0.37 -0.75 4.63 4.36 2vbiE1 ASP 364 HB2 0.01 -0.01 0.10 -0.04 2.71 2.77 2vbiE1 ASP 364 HB3 0.02 0.16 -0.03 -0.04 2.70 2.80 2vbiE1 GLU 365 H 0.01 0.03 -0.36 -0.55 8.60 7.73 2vbiE1 GLU 365 HA 0.08 0.13 0.41 -0.75 4.29 4.15 2vbiE1 GLU 365 HB2 0.02 -0.01 0.09 -0.04 2.09 2.15 2vbiE1 GLU 365 HB3 -0.01 -0.02 0.08 -0.04 1.99 1.99 2vbiE1 GLU 365 HG2 0.03 -0.01 -0.00 -0.04 2.34 2.32 2vbiE1 GLU 365 HG3 0.06 0.02 -0.02 -0.04 2.34 2.37 2vbiE1 ILE 366 H -0.02 0.42 -0.17 -0.55 8.25 7.94 2vbiE1 ILE 366 HA -0.08 0.04 0.47 -0.75 4.18 3.86 2vbiE1 ILE 366 HB -0.04 0.14 0.11 -0.04 1.89 2.06 2vbiE1 ILE 366 HG12 -0.04 -0.01 -0.09 -0.04 1.49 1.31 2vbiE1 ILE 366 HG13 -0.04 0.07 -0.11 -0.04 1.21 1.08 2vbiE1 ILE 366 HG23 -0.13 -0.01 -0.18 -0.04 0.93 0.57 2vbiE1 ILE 366 HD13 -0.01 -0.03 -0.21 -0.04 0.88 0.59 2vbiE1 VAL 367 H -0.01 0.39 -0.15 -0.55 8.24 7.92 2vbiE1 VAL 367 HA -0.06 0.02 0.36 -0.75 4.13 3.70 2vbiE1 VAL 367 HB 0.01 0.13 0.13 -0.04 2.12 2.35 2vbiE1 VAL 367 HG13 0.00 0.03 -0.14 -0.04 0.97 0.82 2vbiE1 VAL 367 HG23 0.00 0.02 0.01 -0.04 0.95 0.94 2vbiE1 ARG 368 H 0.04 0.42 -0.18 -0.55 8.46 8.18 2vbiE1 ARG 368 HA 0.00 0.07 0.35 -0.75 4.34 4.01 2vbiE1 ARG 368 HB2 0.06 0.05 0.13 -0.04 1.90 2.10 2vbiE1 ARG 368 HB3 0.06 0.02 -0.02 -0.04 1.80 1.82 2vbiE1 ARG 368 HG2 -0.02 0.01 0.00 -0.04 1.67 1.63 2vbiE1 ARG 368 HG3 0.01 0.02 0.02 -0.04 1.67 1.68 2vbiE1 ARG 368 HD2 0.01 0.04 -0.06 -0.04 3.22 3.17 2vbiE1 ARG 368 HD3 0.03 -0.01 -0.19 -0.04 3.22 3.00 2vbiE1 HIS 369 H 0.20 0.34 -0.31 -0.55 8.41 8.09 2vbiE1 HIS 369 HA -0.01 0.07 0.45 -0.75 4.63 4.38 2vbiE1 HIS 369 HB2 -0.05 0.05 0.15 -0.04 3.26 3.38 2vbiE1 HIS 369 HB3 0.00 -0.01 -0.07 -0.04 3.20 3.08 2vbiE1 HIS 369 HD2 0.04 0.01 -0.13 -0.04 6.97 6.86 2vbiE1 HIS 369 HE1 0.01 -0.09 -0.02 -0.04 7.75 7.60 2vbiE1 ILE 370 H -0.09 0.55 -0.03 -0.55 8.25 8.13 2vbiE1 ILE 370 HA -0.13 0.05 0.44 -0.75 4.18 3.78 2vbiE1 ILE 370 HB -0.19 0.04 0.08 -0.04 1.89 1.78 2vbiE1 ILE 370 HG12 -1.39 0.00 -0.04 -0.04 1.49 0.03 2vbiE1 ILE 370 HG13 -0.68 0.07 0.02 -0.04 1.21 0.59 2vbiE1 ILE 370 HG23 -0.12 0.00 -0.17 -0.04 0.93 0.60 2vbiE1 ILE 370 HD13 -0.59 -0.04 -0.11 -0.04 0.88 0.10 2vbiE1 ASN 371 H -0.04 0.70 -0.11 -0.55 8.53 8.53 2vbiE1 ASN 371 HA -0.02 0.01 0.37 -0.75 4.76 4.37 2vbiE1 ASN 371 HB2 -0.02 0.18 0.13 -0.04 2.88 3.13 2vbiE1 ASN 371 HB3 -0.02 0.04 0.02 -0.04 2.79 2.80 2vbiE1 ASN 371 HD21 -0.00 0.39 0.15 -0.04 7.03 7.52 2vbiE1 ASN 371 HD22 -0.01 -0.00 0.21 -0.04 7.74 7.89 2vbiE1 ALA 372 H -0.03 0.29 -0.37 -0.55 8.40 7.74 2vbiE1 ALA 372 HA -0.02 0.04 0.40 -0.75 4.34 4.01 2vbiE1 ALA 372 HB3 -0.05 0.00 0.10 -0.04 1.41 1.42 2vbiE1 LEU 373 H 0.00 0.29 -0.41 -0.55 8.37 7.70 2vbiE1 LEU 373 HA 0.03 0.01 0.46 -0.75 4.35 4.10 2vbiE1 LEU 373 HB2 0.05 0.07 0.19 -0.04 1.64 1.91 2vbiE1 LEU 373 HB3 0.07 -0.04 -0.13 -0.04 1.64 1.50 2vbiE1 LEU 373 HG 0.14 -0.05 -0.02 -0.04 1.64 1.67 2vbiE1 LEU 373 HD13 0.25 -0.03 -0.05 -0.04 0.93 1.06 2vbiE1 LEU 373 HD23 0.07 0.00 0.00 -0.04 0.89 0.93 2vbiE1 LEU 374 H 0.00 0.32 -0.21 -0.55 8.37 7.93 2vbiE1 LEU 374 HA 0.00 -0.09 0.30 -0.75 4.35 3.81 2vbiE1 LEU 374 HB2 -0.01 0.14 0.15 -0.04 1.64 1.88 2vbiE1 LEU 374 HB3 -0.01 -0.02 0.03 -0.04 1.64 1.60 2vbiE1 LEU 374 HG -0.01 0.18 0.06 -0.04 1.64 1.83 2vbiE1 LEU 374 HD13 -0.01 -0.00 -0.10 -0.04 0.93 0.77 2vbiE1 LEU 374 HD23 0.00 -0.04 -0.12 -0.04 0.89 0.69 2vbiE1 THR 375 H -0.01 0.09 0.24 -0.55 8.28 8.05 2vbiE1 THR 375 HA -0.01 0.22 0.77 -0.75 4.39 4.62 2vbiE1 THR 375 HB -0.01 -0.09 0.19 -0.04 4.32 4.37 2vbiE1 THR 375 HG23 -0.00 0.09 -0.07 -0.04 1.22 1.20 2vbiE1 SER 376 H -0.02 0.17 0.12 -0.55 8.46 8.18 2vbiE1 SER 376 HA -0.03 0.10 0.26 -0.75 4.49 4.07 2vbiE1 SER 376 HB2 -0.03 0.03 0.16 -0.04 3.95 4.06 2vbiE1 SER 376 HB3 -0.03 0.05 0.16 -0.04 3.93 4.07 2vbiE1 ASN 377 H -0.02 -0.05 -0.46 -0.55 8.53 7.45 2vbiE1 ASN 377 HA -0.04 0.26 0.67 -0.75 4.76 4.90 2vbiE1 ASN 377 HB2 -0.02 -0.05 0.01 -0.04 2.88 2.78 2vbiE1 ASN 377 HB3 -0.02 -0.02 0.04 -0.04 2.79 2.75 2vbiE1 ASN 377 HD21 -0.01 0.51 0.26 -0.04 7.03 7.76 2vbiE1 ASN 377 HD22 -0.01 -0.07 0.06 -0.04 7.74 7.68 2vbiE1 THR 378 H -0.04 0.35 -0.36 -0.55 8.28 7.69 2vbiE1 THR 378 HA -0.09 0.27 0.85 -0.75 4.39 4.67 2vbiE1 THR 378 HB -0.03 0.06 0.12 -0.04 4.32 4.43 2vbiE1 THR 378 HG23 -0.01 -0.01 -0.18 -0.04 1.22 0.98 2vbiE1 THR 379 H -0.21 0.75 0.36 -0.55 8.28 8.63 2vbiE1 THR 379 HA -0.06 0.21 0.81 -0.75 4.39 4.60 2vbiE1 THR 379 HB -0.49 -0.02 0.09 -0.04 4.32 3.86 2vbiE1 THR 379 HG23 0.05 -0.03 -0.29 -0.04 1.22 0.91 2vbiE1 LEU 380 H 0.01 0.88 0.27 -0.55 8.37 8.98 2vbiE1 LEU 380 HA 0.05 0.20 0.91 -0.75 4.35 4.77 2vbiE1 LEU 380 HB2 0.01 0.08 0.03 -0.04 1.64 1.72 2vbiE1 LEU 380 HB3 0.03 -0.08 0.12 -0.04 1.64 1.67 2vbiE1 LEU 380 HG 0.02 0.03 -0.11 -0.04 1.64 1.54 2vbiE1 LEU 380 HD13 0.01 -0.02 -0.13 -0.04 0.93 0.75 2vbiE1 LEU 380 HD23 0.07 -0.01 -0.24 -0.04 0.89 0.67 2vbiE1 VAL 381 H 0.09 0.78 0.41 -0.55 8.24 8.97 2vbiE1 VAL 381 HA 0.16 0.20 0.94 -0.75 4.13 4.68 2vbiE1 VAL 381 HB 0.02 -0.09 0.18 -0.04 2.12 2.19 2vbiE1 VAL 381 HG13 -0.21 -0.01 -0.16 -0.04 0.97 0.55 2vbiE1 VAL 381 HG23 0.03 0.04 -0.16 -0.04 0.95 0.82 2vbiE1 ALA 382 H 0.30 0.66 0.23 -0.55 8.40 9.04 2vbiE1 ALA 382 HA 0.17 0.11 1.05 -0.75 4.34 4.91 2vbiE1 ALA 382 HB3 0.16 0.02 -0.12 -0.04 1.41 1.44 2vbiE1 GLU 383 H 0.16 0.58 0.26 -0.55 8.60 9.05 2vbiE1 GLU 383 HA 0.39 0.06 0.43 -0.75 4.29 4.41 2vbiE1 GLU 383 HB2 0.14 0.09 0.19 -0.04 2.09 2.46 2vbiE1 GLU 383 HB3 0.05 -0.11 0.20 -0.04 1.99 2.08 2vbiE1 GLU 383 HG2 0.05 -0.16 0.12 -0.04 2.34 2.31 2vbiE1 GLU 383 HG3 -0.04 0.37 0.08 -0.04 2.34 2.70 2vbiE1 THR 384 H -0.02 0.07 0.11 -0.55 8.28 7.89 2vbiE1 THR 384 HA -2.06 0.13 0.55 -0.75 4.39 2.25 2vbiE1 THR 384 HB -0.30 -0.12 0.01 -0.04 4.32 3.87 2vbiE1 THR 384 HG23 -0.97 0.05 -0.04 -0.04 1.22 0.22 2vbiE1 GLY 385 H -1.19 0.30 0.25 -0.55 8.43 7.25 2vbiE1 GLY 385 HA2 -0.24 0.07 0.36 -0.51 4.01 3.69 2vbiE1 GLY 385 HA3 -0.20 0.06 0.81 -0.51 4.01 4.16 2vbiE1 ASP 386 H -0.03 0.11 0.18 -0.55 8.40 8.12 2vbiE1 ASP 386 HA 0.27 0.12 0.42 -0.75 4.63 4.68 2vbiE1 ASP 386 HB2 0.01 -0.02 0.16 -0.04 2.71 2.82 2vbiE1 ASP 386 HB3 0.02 0.07 0.06 -0.04 2.70 2.81 2vbiE1 SER 387 H -0.01 0.02 -0.46 -0.55 8.46 7.47 2vbiE1 SER 387 HA 0.07 0.06 0.37 -0.75 4.49 4.23 2vbiE1 SER 387 HB2 0.02 0.30 -0.10 -0.04 3.95 4.12 2vbiE1 SER 387 HB3 0.08 0.09 -0.04 -0.04 3.93 4.02 2vbiE1 TRP 388 H 0.06 0.33 -0.23 -0.55 7.97 7.58 2vbiE1 TRP 388 HA -0.17 0.12 0.37 -0.75 4.62 4.19 2vbiE1 TRP 388 HB2 -0.43 0.07 0.15 -0.04 3.23 2.98 2vbiE1 TRP 388 HB3 -0.68 0.03 -0.09 -0.04 3.23 2.45 2vbiE1 TRP 388 HD1 -0.11 0.13 -0.25 -0.04 7.22 6.95 2vbiE1 TRP 388 HE1 -0.15 -0.07 -0.18 -0.04 10.20 9.75 2vbiE1 TRP 388 HE3 -0.68 0.02 0.00 -0.04 7.59 6.89 2vbiE1 TRP 388 HZ2 -0.07 0.08 -0.09 -0.04 7.44 7.33 2vbiE1 TRP 388 HZ3 -0.33 0.05 -0.00 -0.04 7.13 6.81 2vbiE1 TRP 388 HH2 0.28 0.13 -0.01 -0.04 7.19 7.55 2vbiE1 PHE 389 H 0.27 0.19 -0.35 -0.55 8.34 7.89 2vbiE1 PHE 389 HA 0.13 0.15 0.31 -0.75 4.62 4.45 2vbiE1 PHE 389 HB2 0.02 0.03 0.18 -0.04 3.15 3.34 2vbiE1 PHE 389 HB3 0.01 -0.05 0.02 -0.04 3.06 3.01 2vbiE1 PHE 389 HD2 -0.06 0.01 -0.02 -0.04 7.28 7.17 2vbiE1 PHE 389 HE2 -0.66 0.04 -0.08 -0.04 7.38 6.64 2vbiE1 PHE 389 HZ -1.82 0.06 -0.04 -0.04 7.32 5.49 2vbiE1 ASN 390 H 0.16 0.31 0.02 -0.55 8.53 8.46 2vbiE1 ASN 390 HA 0.09 0.24 1.04 -0.75 4.76 5.37 2vbiE1 ASN 390 HB2 0.03 0.08 0.05 -0.04 2.88 3.00 2vbiE1 ASN 390 HB3 0.05 -0.02 0.03 -0.04 2.79 2.82 2vbiE1 ASN 390 HD21 0.04 -0.16 -0.13 -0.04 7.03 6.74 2vbiE1 ASN 390 HD22 0.05 0.18 -0.06 -0.04 7.74 7.87 2vbiE1 ALA 391 H 0.07 0.34 -0.44 -0.55 8.40 7.82 2vbiE1 ALA 391 HA 0.02 0.08 0.53 -0.75 4.34 4.22 2vbiE1 ALA 391 HB3 0.02 0.05 0.04 -0.04 1.41 1.47 2vbiE1 MET 392 H 0.02 0.29 -0.15 -0.55 8.47 8.08 2vbiE1 MET 392 HA -0.01 0.08 0.37 -0.75 4.52 4.21 2vbiE1 MET 392 HB2 0.13 0.13 0.11 -0.04 2.15 2.48 2vbiE1 MET 392 HB3 0.10 -0.02 0.04 -0.04 2.03 2.12 2vbiE1 MET 392 HG2 -0.02 0.06 0.05 -0.04 2.63 2.69 2vbiE1 MET 392 HG3 0.17 -0.07 0.00 -0.04 2.56 2.62 2vbiE1 MET 392 HE3 -0.14 0.03 -0.00 -0.04 2.10 1.95 2vbiE1 ARG 393 H 0.06 0.01 -0.79 -0.55 8.46 7.18 2vbiE1 ARG 393 HA 0.06 0.13 0.30 -0.75 4.34 4.08 2vbiE1 ARG 393 HB2 0.05 -0.01 0.07 -0.04 1.90 1.97 2vbiE1 ARG 393 HB3 0.05 -0.03 0.08 -0.04 1.80 1.85 2vbiE1 ARG 393 HG2 0.07 0.01 -0.04 -0.04 1.67 1.67 2vbiE1 ARG 393 HG3 0.10 0.15 -0.02 -0.04 1.67 1.86 2vbiE1 ARG 393 HD2 0.10 -0.14 -0.11 -0.04 3.22 3.02 2vbiE1 ARG 393 HD3 0.07 -0.07 -0.04 -0.04 3.22 3.14 2vbiE1 MET 394 H 0.03 0.36 -0.55 -0.55 8.47 7.76 2vbiE1 MET 394 HA 0.02 0.08 0.80 -0.75 4.52 4.66 2vbiE1 MET 394 HB2 0.00 0.11 0.03 -0.04 2.15 2.25 2vbiE1 MET 394 HB3 -0.00 0.06 -0.19 -0.04 2.03 1.85 2vbiE1 MET 394 HG2 -0.01 0.00 -0.03 -0.04 2.63 2.55 2vbiE1 MET 394 HG3 0.00 -0.05 -0.18 -0.04 2.56 2.29 2vbiE1 MET 394 HE3 -0.05 -0.02 -0.08 -0.04 2.10 1.91 2vbiE1 THR 395 H 0.02 0.14 0.10 -0.55 8.28 7.98 2vbiE1 THR 395 HA 0.03 0.13 0.75 -0.75 4.39 4.54 2vbiE1 THR 395 HB 0.01 -0.02 0.11 -0.04 4.32 4.39 2vbiE1 THR 395 HG23 0.03 0.02 -0.15 -0.04 1.22 1.08 2vbiE1 LEU 396 H -0.04 0.16 0.03 -0.55 8.37 7.98 2vbiE1 LEU 396 HA -0.02 0.29 0.86 -0.75 4.35 4.72 2vbiE1 LEU 396 HB2 -0.04 0.11 -0.10 -0.04 1.64 1.57 2vbiE1 LEU 396 HB3 -0.03 -0.02 -0.18 -0.04 1.64 1.37 2vbiE1 LEU 396 HG -0.07 -0.04 0.05 -0.04 1.64 1.54 2vbiE1 LEU 396 HD13 -0.09 0.00 -0.07 -0.04 0.93 0.73 2vbiE1 LEU 396 HD23 -0.04 -0.01 -0.18 -0.04 0.89 0.62 2vbiE1 PRO 397 HA -0.04 0.01 0.43 -0.51 4.44 4.33 2vbiE1 PRO 397 HB2 -0.03 0.04 -0.20 -0.04 2.28 2.06 2vbiE1 PRO 397 HB3 -0.02 0.04 0.02 -0.04 2.02 2.02 2vbiE1 PRO 397 HG2 -0.03 0.06 -0.43 -0.04 2.03 1.60 2vbiE1 PRO 397 HG3 -0.02 0.26 -0.31 -0.04 2.03 1.92 2vbiE1 PRO 397 HD2 -0.02 0.05 0.12 -0.04 3.68 3.79 2vbiE1 PRO 397 HD3 -0.02 0.28 0.09 -0.04 3.65 3.97 2vbiE1 ARG 398 H -0.05 0.09 0.15 -0.55 8.46 8.10 2vbiE1 ARG 398 HA -0.08 -0.02 0.49 -0.75 4.34 3.97 2vbiE1 ARG 398 HB2 -0.06 -0.06 0.17 -0.04 1.90 1.92 2vbiE1 ARG 398 HB3 -0.05 0.03 0.13 -0.04 1.80 1.87 2vbiE1 ARG 398 HG2 -0.06 0.10 -0.10 -0.04 1.67 1.56 2vbiE1 ARG 398 HG3 -0.10 -0.07 0.08 -0.04 1.67 1.55 2vbiE1 ARG 398 HD2 -0.05 -0.02 0.01 -0.04 3.22 3.12 2vbiE1 ARG 398 HD3 -0.05 0.03 -0.02 -0.04 3.22 3.14 2vbiE1 GLY 399 H -0.06 0.13 0.18 -0.55 8.43 8.14 2vbiE1 GLY 399 HA2 -0.04 -0.03 0.38 -0.51 4.01 3.81 2vbiE1 GLY 399 HA3 -0.04 0.13 0.81 -0.51 4.01 4.40 2vbiE1 ALA 400 H -0.04 0.33 -0.24 -0.55 8.40 7.90 2vbiE1 ALA 400 HA -0.03 0.20 0.50 -0.75 4.34 4.25 2vbiE1 ALA 400 HB3 -0.03 -0.02 -0.02 -0.04 1.41 1.30 2vbiE1 ARG 401 H -0.03 0.67 0.37 -0.55 8.46 8.92 2vbiE1 ARG 401 HA 0.03 0.16 0.91 -0.75 4.34 4.68 2vbiE1 ARG 401 HB2 -0.02 0.11 0.19 -0.04 1.90 2.13 2vbiE1 ARG 401 HB3 0.03 -0.08 -0.05 -0.04 1.80 1.66 2vbiE1 ARG 401 HG2 0.04 -0.01 -0.02 -0.04 1.67 1.64 2vbiE1 ARG 401 HG3 0.03 0.06 -0.06 -0.04 1.67 1.66 2vbiE1 ARG 401 HD2 -0.01 -0.03 -0.03 -0.04 3.22 3.11 2vbiE1 ARG 401 HD3 -0.02 0.12 -0.03 -0.04 3.22 3.25 2vbiE1 VAL 402 H 0.03 0.29 0.19 -0.55 8.24 8.20 2vbiE1 VAL 402 HA 0.03 0.23 0.94 -0.75 4.13 4.57 2vbiE1 VAL 402 HB -0.08 0.23 -0.04 -0.04 2.12 2.19 2vbiE1 VAL 402 HG13 -0.04 -0.05 -0.21 -0.04 0.97 0.64 2vbiE1 VAL 402 HG23 -0.02 -0.01 -0.22 -0.04 0.95 0.65 2vbiE1 GLU 403 H 0.11 0.67 0.30 -0.55 8.60 9.13 2vbiE1 GLU 403 HA 0.14 0.23 0.94 -0.75 4.29 4.85 2vbiE1 GLU 403 HB2 0.24 -0.13 0.09 -0.04 2.09 2.25 2vbiE1 GLU 403 HB3 0.41 -0.02 -0.05 -0.04 1.99 2.28 2vbiE1 GLU 403 HG2 0.11 -0.01 -0.38 -0.04 2.34 2.03 2vbiE1 GLU 403 HG3 0.14 -0.01 -0.17 -0.04 2.34 2.26 2vbiE1 LEU 404 H 0.01 0.36 0.17 -0.55 8.37 8.37 2vbiE1 LEU 404 HA 0.05 0.18 0.89 -0.75 4.35 4.71 2vbiE1 LEU 404 HB2 -0.27 0.14 0.07 -0.04 1.64 1.54 2vbiE1 LEU 404 HB3 -0.37 -0.18 0.03 -0.04 1.64 1.08 2vbiE1 LEU 404 HG -0.10 0.04 -0.39 -0.04 1.64 1.15 2vbiE1 LEU 404 HD13 -0.39 0.00 -0.09 -0.04 0.93 0.41 2vbiE1 LEU 404 HD23 -0.10 0.01 -0.01 -0.04 0.89 0.75 2vbiE1 GLU 405 H -0.25 0.16 0.01 -0.55 8.60 7.96 2vbiE1 GLU 405 HA -0.41 0.32 0.86 -0.75 4.29 4.30 2vbiE1 GLU 405 HB2 -2.66 0.13 -0.15 -0.04 2.09 -0.64 2vbiE1 GLU 405 HB3 -0.89 -0.13 0.16 -0.04 1.99 1.09 2vbiE1 GLU 405 HG2 -0.28 -0.11 0.09 -0.04 2.34 2.00 2vbiE1 GLU 405 HG3 -0.88 0.22 0.01 -0.04 2.34 1.64 2vbiE1 MET 406 H -0.29 0.33 -0.10 -0.55 8.47 7.86 2vbiE1 MET 406 HA -0.15 0.07 0.21 -0.75 4.52 3.90 2vbiE1 MET 406 HB2 -0.46 0.07 0.02 -0.04 2.15 1.74 2vbiE1 MET 406 HB3 -0.74 -0.01 0.06 -0.04 2.03 1.30 2vbiE1 MET 406 HG2 -1.33 -0.08 -0.10 -0.04 2.63 1.07 2vbiE1 MET 406 HG3 -0.67 0.09 -0.04 -0.04 2.56 1.90 2vbiE1 MET 406 HE3 -0.91 -0.00 -0.03 -0.04 2.10 1.11 2vbiE1 GLN 407 H -0.06 0.06 -0.21 -0.55 8.47 7.72 2vbiE1 GLN 407 HA 0.00 0.12 0.78 -0.75 4.36 4.50 2vbiE1 GLN 407 HB2 -0.02 -0.02 0.04 -0.04 2.15 2.11 2vbiE1 GLN 407 HB3 0.04 0.03 0.01 -0.04 2.02 2.07 2vbiE1 GLN 407 HG2 0.08 0.26 0.07 -0.04 2.40 2.76 2vbiE1 GLN 407 HG3 0.19 -0.03 -0.22 -0.04 2.39 2.29 2vbiE1 GLN 407 HE21 0.05 -0.07 0.02 -0.04 6.97 6.93 2vbiE1 GLN 407 HE22 0.16 0.04 -0.05 -0.04 7.69 7.79 2vbiE1 TRP 408 H 0.21 0.01 -0.09 -0.55 7.97 7.56 2vbiE1 TRP 408 HA 0.03 0.18 0.50 -0.75 4.62 4.57 2vbiE1 TRP 408 HB2 0.01 0.12 0.12 -0.04 3.23 3.44 2vbiE1 TRP 408 HB3 -0.04 -0.15 0.10 -0.04 3.23 3.09 2vbiE1 TRP 408 HD1 0.28 -0.11 -0.04 -0.04 7.22 7.30 2vbiE1 TRP 408 HE1 0.29 -0.03 -0.07 -0.04 10.20 10.35 2vbiE1 TRP 408 HE3 0.04 0.02 -0.07 -0.04 7.59 7.54 2vbiE1 TRP 408 HZ2 0.08 -0.04 0.05 -0.04 7.44 7.50 2vbiE1 TRP 408 HZ3 0.02 0.04 -0.05 -0.04 7.13 7.11 2vbiE1 TRP 408 HH2 0.02 0.01 -0.02 -0.04 7.19 7.17 2vbiE1 GLY 409 H 0.13 0.24 0.04 -0.55 8.43 8.29 2vbiE1 GLY 409 HA2 0.19 0.00 0.28 -0.51 4.01 3.98 2vbiE1 GLY 409 HA3 0.18 0.09 0.20 -0.51 4.01 3.97 2vbiE1 HIS 410 H 0.17 0.09 -0.10 -0.55 8.41 8.03 2vbiE1 HIS 410 HA -0.08 0.17 0.65 -0.75 4.63 4.62 2vbiE1 HIS 410 HB2 0.14 0.10 -0.05 -0.04 3.26 3.41 2vbiE1 HIS 410 HB3 0.25 -0.09 0.11 -0.04 3.20 3.43 2vbiE1 HIS 410 HD2 0.29 0.05 -0.05 -0.04 6.97 7.22 2vbiE1 HIS 410 HE1 0.23 -0.04 -0.07 -0.04 7.75 7.83 2vbiE1 ILE 411 H -0.16 0.28 0.13 -0.55 8.25 7.95 2vbiE1 ILE 411 HA 0.02 -0.09 0.48 -0.75 4.18 3.84 2vbiE1 ILE 411 HB -0.07 -0.15 0.09 -0.04 1.89 1.71 2vbiE1 ILE 411 HG12 -0.23 0.08 0.08 -0.04 1.49 1.38 2vbiE1 ILE 411 HG13 -0.10 0.04 -0.10 -0.04 1.21 1.00 2vbiE1 ILE 411 HG23 -0.21 0.04 0.03 -0.04 0.93 0.74 2vbiE1 ILE 411 HD13 -0.23 0.00 -0.12 -0.04 0.88 0.50 2vbiE1 GLY 412 H 0.09 -0.00 0.16 -0.55 8.43 8.12 2vbiE1 GLY 412 HA2 0.07 0.06 0.29 -0.51 4.01 3.92 2vbiE1 GLY 412 HA3 0.14 0.23 0.71 -0.51 4.01 4.58 2vbiE1 TRP 413 H 0.25 0.52 -0.32 -0.55 7.97 7.87 2vbiE1 TRP 413 HA -0.74 0.05 0.23 -0.75 4.62 3.40 2vbiE1 TRP 413 HB2 -0.63 0.05 0.08 -0.04 3.23 2.70 2vbiE1 TRP 413 HB3 -0.13 -0.05 0.10 -0.04 3.23 3.11 2vbiE1 TRP 413 HD1 -0.56 -0.01 -0.04 -0.04 7.22 6.57 2vbiE1 TRP 413 HE1 0.04 0.12 -0.16 -0.04 10.20 10.16 2vbiE1 TRP 413 HE3 0.02 -0.24 -0.16 -0.04 7.59 7.16 2vbiE1 TRP 413 HZ2 0.04 0.16 -0.26 -0.04 7.44 7.34 2vbiE1 TRP 413 HZ3 0.08 0.12 -0.31 -0.04 7.13 6.99 2vbiE1 TRP 413 HH2 0.05 0.17 -0.48 -0.04 7.19 6.89 2vbiE1 SER 414 H 0.20 -0.09 -0.39 -0.55 8.46 7.64 2vbiE1 SER 414 HA -0.66 0.12 0.13 -0.75 4.49 3.32 2vbiE1 SER 414 HB2 0.13 -0.20 -0.00 -0.04 3.95 3.84 2vbiE1 SER 414 HB3 0.02 0.01 -0.12 -0.04 3.93 3.79 2vbiE1 VAL 415 H -0.09 0.25 -0.31 -0.55 8.24 7.53 2vbiE1 VAL 415 HA -0.04 0.10 0.18 -0.75 4.13 3.61 2vbiE1 VAL 415 HB -0.07 0.08 -0.00 -0.04 2.12 2.09 2vbiE1 VAL 415 HG13 -0.02 0.01 -0.24 -0.04 0.97 0.67 2vbiE1 VAL 415 HG23 0.08 -0.03 -0.12 -0.04 0.95 0.84 2vbiE1 PRO 416 HA 0.03 0.08 0.45 -0.51 4.44 4.48 2vbiE1 PRO 416 HB2 0.07 0.07 -0.16 -0.04 2.28 2.23 2vbiE1 PRO 416 HB3 0.02 -0.08 0.09 -0.04 2.02 2.02 2vbiE1 PRO 416 HG2 -0.02 0.10 -0.02 -0.04 2.03 2.04 2vbiE1 PRO 416 HG3 0.09 -0.07 -0.02 -0.04 2.03 1.99 2vbiE1 PRO 416 HD2 -0.12 0.30 0.01 -0.04 3.68 3.83 2vbiE1 PRO 416 HD3 -0.05 0.05 0.08 -0.04 3.65 3.69 2vbiE1 SER 417 H -0.42 0.47 -0.35 -0.55 8.46 7.62 2vbiE1 SER 417 HA -0.20 0.17 0.41 -0.75 4.49 4.11 2vbiE1 SER 417 HB2 -1.36 -0.04 -0.03 -0.04 3.95 2.48 2vbiE1 SER 417 HB3 -1.43 0.04 -0.11 -0.04 3.93 2.39 2vbiE1 ALA 418 H -0.31 0.46 -0.18 -0.55 8.40 7.82 2vbiE1 ALA 418 HA -0.11 0.08 0.37 -0.75 4.34 3.92 2vbiE1 ALA 418 HB3 -0.06 0.01 -0.01 -0.04 1.41 1.31 2vbiE1 PHE 419 H 0.06 0.33 -0.36 -0.55 8.34 7.81 2vbiE1 PHE 419 HA -0.08 0.06 0.32 -0.75 4.62 4.17 2vbiE1 PHE 419 HB2 -0.05 -0.04 0.03 -0.04 3.15 3.06 2vbiE1 PHE 419 HB3 -0.09 0.10 0.18 -0.04 3.06 3.21 2vbiE1 PHE 419 HD2 -0.02 -0.01 -0.07 -0.04 7.28 7.14 2vbiE1 PHE 419 HE2 0.18 0.05 -0.23 -0.04 7.38 7.34 2vbiE1 PHE 419 HZ 0.05 0.04 -0.11 -0.04 7.32 7.26 2vbiE1 GLY 420 H -0.08 0.49 -0.06 -0.55 8.43 8.23 2vbiE1 GLY 420 HA2 -0.25 -0.01 0.34 -0.51 4.01 3.58 2vbiE1 GLY 420 HA3 -0.24 0.27 0.36 -0.51 4.01 3.89 2vbiE1 ASN 421 H -0.11 0.55 -0.26 -0.55 8.53 8.15 2vbiE1 ASN 421 HA -0.07 0.11 0.12 -0.75 4.76 4.17 2vbiE1 ASN 421 HB2 -0.04 0.02 0.01 -0.04 2.88 2.83 2vbiE1 ASN 421 HB3 -0.05 0.00 -0.03 -0.04 2.79 2.68 2vbiE1 ASN 421 HD21 0.08 0.02 -0.18 -0.04 7.03 6.91 2vbiE1 ASN 421 HD22 0.07 -0.07 -0.07 -0.04 7.74 7.63 2vbiE1 ALA 422 H -0.33 0.58 -0.31 -0.55 8.40 7.80 2vbiE1 ALA 422 HA -0.97 0.11 0.26 -0.75 4.34 2.98 2vbiE1 ALA 422 HB3 -0.40 -0.00 -0.03 -0.04 1.41 0.94 2vbiE1 MET 423 H -0.32 0.46 -0.20 -0.55 8.47 7.87 2vbiE1 MET 423 HA -0.28 0.03 0.39 -0.75 4.52 3.90 2vbiE1 MET 423 HB2 -0.18 0.11 0.14 -0.04 2.15 2.18 2vbiE1 MET 423 HB3 -0.39 -0.05 -0.10 -0.04 2.03 1.45 2vbiE1 MET 423 HG2 -0.60 0.02 -0.02 -0.04 2.63 1.99 2vbiE1 MET 423 HG3 -0.62 -0.14 -0.07 -0.04 2.56 1.69 2vbiE1 MET 423 HE3 -0.17 0.01 -0.04 -0.04 2.10 1.86 2vbiE1 GLY 424 H -0.16 0.40 -0.41 -0.55 8.43 7.71 2vbiE1 GLY 424 HA2 -0.28 0.01 0.46 -0.51 4.01 3.69 2vbiE1 GLY 424 HA3 -0.65 -0.01 0.29 -0.51 4.01 3.13 2vbiE1 SER 425 H -0.10 0.37 -0.57 -0.55 8.46 7.61 2vbiE1 SER 425 HA -0.01 0.03 0.49 -0.75 4.49 4.25 2vbiE1 SER 425 HB2 0.05 -0.11 0.12 -0.04 3.95 3.97 2vbiE1 SER 425 HB3 -0.01 0.14 -0.05 -0.04 3.93 3.97 2vbiE1 GLN 426 H -0.00 0.17 0.01 -0.55 8.47 8.10 2vbiE1 GLN 426 HA 0.02 0.17 0.31 -0.75 4.36 4.11 2vbiE1 GLN 426 HB2 0.01 -0.07 0.08 -0.04 2.15 2.13 2vbiE1 GLN 426 HB3 0.01 0.00 0.12 -0.04 2.02 2.11 2vbiE1 GLN 426 HG2 -0.07 0.03 0.02 -0.04 2.40 2.34 2vbiE1 GLN 426 HG3 -0.05 0.10 0.08 -0.04 2.39 2.48 2vbiE1 GLN 426 HE21 0.07 -0.10 0.04 -0.04 6.97 6.93 2vbiE1 GLN 426 HE22 -0.15 0.37 0.17 -0.04 7.69 8.04 2vbiE1 ASP 427 H 0.03 0.00 -0.40 -0.55 8.40 7.48 2vbiE1 ASP 427 HA 0.02 0.08 0.49 -0.75 4.63 4.47 2vbiE1 ASP 427 HB2 0.01 -0.03 0.07 -0.04 2.71 2.71 2vbiE1 ASP 427 HB3 0.01 -0.04 0.04 -0.04 2.70 2.67 2vbiE1 ARG 428 H 0.07 0.36 -0.23 -0.55 8.46 8.11 2vbiE1 ARG 428 HA -0.03 0.08 0.69 -0.75 4.34 4.33 2vbiE1 ARG 428 HB2 -0.10 0.07 -0.03 -0.04 1.90 1.80 2vbiE1 ARG 428 HB3 -0.20 0.10 0.02 -0.04 1.80 1.69 2vbiE1 ARG 428 HG2 -0.04 -0.02 -0.07 -0.04 1.67 1.50 2vbiE1 ARG 428 HG3 -0.00 -0.11 -0.06 -0.04 1.67 1.45 2vbiE1 ARG 428 HD2 -0.03 -0.02 -0.05 -0.04 3.22 3.08 2vbiE1 ARG 428 HD3 -0.06 -0.01 -0.08 -0.04 3.22 3.04 2vbiE1 GLN 429 H -0.07 0.48 0.25 -0.55 8.47 8.59 2vbiE1 GLN 429 HA 0.04 0.21 0.88 -0.75 4.36 4.73 2vbiE1 GLN 429 HB2 -0.02 -0.07 0.06 -0.04 2.15 2.07 2vbiE1 GLN 429 HB3 0.01 -0.04 -0.06 -0.04 2.02 1.89 2vbiE1 GLN 429 HG2 0.02 -0.04 -0.01 -0.04 2.40 2.33 2vbiE1 GLN 429 HG3 0.03 0.11 0.03 -0.04 2.39 2.52 2vbiE1 GLN 429 HE21 0.01 0.02 -0.06 -0.04 6.97 6.90 2vbiE1 GLN 429 HE22 0.02 0.12 -0.18 -0.04 7.69 7.61 2vbiE1 HIS 430 H 0.15 0.29 0.14 -0.55 8.41 8.45 2vbiE1 HIS 430 HA 0.03 0.27 1.11 -0.75 4.63 5.27 2vbiE1 HIS 430 HB2 0.02 0.01 0.04 -0.04 3.26 3.29 2vbiE1 HIS 430 HB3 0.02 -0.10 -0.07 -0.04 3.20 3.00 2vbiE1 HIS 430 HD2 0.00 0.19 -0.24 -0.04 6.97 6.88 2vbiE1 HIS 430 HE1 -0.03 0.03 -0.33 -0.04 7.75 7.37 2vbiE1 VAL 431 H 0.07 0.78 0.40 -0.55 8.24 8.94 2vbiE1 VAL 431 HA 0.14 0.29 1.08 -0.75 4.13 4.88 2vbiE1 VAL 431 HB 0.09 -0.01 0.06 -0.04 2.12 2.22 2vbiE1 VAL 431 HG13 0.29 -0.03 -0.11 -0.04 0.97 1.08 2vbiE1 VAL 431 HG23 0.12 0.02 -0.22 -0.04 0.95 0.82 2vbiE1 VAL 432 H 0.16 0.73 0.44 -0.55 8.24 9.02 2vbiE1 VAL 432 HA 0.10 0.24 1.13 -0.75 4.13 4.84 2vbiE1 VAL 432 HB 0.08 -0.10 0.06 -0.04 2.12 2.12 2vbiE1 VAL 432 HG13 0.06 -0.05 -0.32 -0.04 0.97 0.62 2vbiE1 VAL 432 HG23 0.05 0.03 -0.24 -0.04 0.95 0.74 2vbiE1 MET 433 H 0.11 0.90 0.38 -0.55 8.47 9.31 2vbiE1 MET 433 HA 0.15 0.26 1.03 -0.75 4.52 5.21 2vbiE1 MET 433 HB2 0.09 -0.04 0.23 -0.04 2.15 2.39 2vbiE1 MET 433 HB3 0.06 -0.13 0.03 -0.04 2.03 1.95 2vbiE1 MET 433 HG2 0.02 0.04 -0.05 -0.04 2.63 2.59 2vbiE1 MET 433 HG3 0.07 0.08 -0.21 -0.04 2.56 2.46 2vbiE1 MET 433 HE3 -0.01 -0.05 -0.10 -0.04 2.10 1.90 2vbiE1 VAL 434 H 0.06 0.76 0.26 -0.55 8.24 8.78 2vbiE1 VAL 434 HA 0.06 -0.00 0.91 -0.75 4.13 4.34 2vbiE1 VAL 434 HB 0.10 0.08 -0.31 -0.04 2.12 1.95 2vbiE1 VAL 434 HG13 0.09 0.03 -0.18 -0.04 0.97 0.87 2vbiE1 VAL 434 HG23 0.13 0.02 -0.06 -0.04 0.95 1.00 2vbiE1 GLY 435 H 0.00 0.10 0.17 -0.55 8.43 8.15 2vbiE1 GLY 435 HA2 -0.06 0.26 0.77 -0.51 4.01 4.47 2vbiE1 GLY 435 HA3 -0.03 -0.04 0.45 -0.51 4.01 3.88 2vbiE1 ASP 436 H -0.11 0.30 0.30 -0.55 8.40 8.34 2vbiE1 ASP 436 HA -0.39 0.15 0.37 -0.75 4.63 4.00 2vbiE1 ASP 436 HB2 -0.20 0.09 0.07 -0.04 2.71 2.63 2vbiE1 ASP 436 HB3 -0.38 0.06 0.11 -0.04 2.70 2.45 2vbiE1 GLY 437 H 0.01 0.06 -0.04 -0.55 8.43 7.92 2vbiE1 GLY 437 HA2 0.08 0.16 0.31 -0.51 4.01 4.05 2vbiE1 GLY 437 HA3 0.31 0.05 0.21 -0.51 4.01 4.08 2vbiE1 SER 438 H 0.03 -0.00 -0.26 -0.55 8.46 7.68 2vbiE1 SER 438 HA 0.01 0.14 0.35 -0.75 4.49 4.23 2vbiE1 SER 438 HB2 0.05 0.09 0.09 -0.04 3.95 4.14 2vbiE1 SER 438 HB3 0.05 -0.32 0.12 -0.04 3.93 3.74 2vbiE1 PHE 439 H 0.13 0.38 -0.33 -0.55 8.34 7.97 2vbiE1 PHE 439 HA 0.03 -0.00 0.23 -0.75 4.62 4.12 2vbiE1 PHE 439 HB2 -0.07 0.09 0.01 -0.04 3.15 3.13 2vbiE1 PHE 439 HB3 -0.11 0.11 0.06 -0.04 3.06 3.08 2vbiE1 PHE 439 HD2 0.17 -0.00 -0.14 -0.04 7.28 7.27 2vbiE1 PHE 439 HE2 0.32 0.04 -0.07 -0.04 7.38 7.63 2vbiE1 PHE 439 HZ 0.28 0.08 -0.05 -0.04 7.32 7.59 2vbiE1 GLN 440 H -0.02 0.33 -0.39 -0.55 8.47 7.85 2vbiE1 GLN 440 HA -0.11 0.01 0.33 -0.75 4.36 3.84 2vbiE1 GLN 440 HB2 -0.10 0.15 0.06 -0.04 2.15 2.22 2vbiE1 GLN 440 HB3 -0.11 0.01 0.03 -0.04 2.02 1.91 2vbiE1 GLN 440 HG2 -1.75 -0.07 -0.01 -0.04 2.40 0.53 2vbiE1 GLN 440 HG3 -0.40 0.22 0.07 -0.04 2.39 2.23 2vbiE1 GLN 440 HE21 -0.65 0.55 0.02 -0.04 6.97 6.85 2vbiE1 GLN 440 HE22 -1.06 -0.17 -0.04 -0.04 7.69 6.39 2vbiE1 LEU 441 H 0.03 0.34 -0.36 -0.55 8.37 7.84 2vbiE1 LEU 441 HA 0.10 0.09 0.46 -0.75 4.35 4.25 2vbiE1 LEU 441 HB2 0.08 0.10 0.07 -0.04 1.64 1.85 2vbiE1 LEU 441 HB3 0.15 -0.02 -0.04 -0.04 1.64 1.69 2vbiE1 LEU 441 HG 0.08 -0.00 0.00 -0.04 1.64 1.67 2vbiE1 LEU 441 HD13 0.03 -0.04 -0.05 -0.04 0.93 0.83 2vbiE1 LEU 441 HD23 0.04 0.06 -0.03 -0.04 0.89 0.92 2vbiE1 THR 442 H -0.05 0.30 -0.16 -0.55 8.28 7.82 2vbiE1 THR 442 HA 0.03 0.18 0.86 -0.75 4.39 4.70 2vbiE1 THR 442 HB -0.01 -0.08 0.12 -0.04 4.32 4.31 2vbiE1 THR 442 HG23 0.13 0.00 -0.27 -0.04 1.22 1.04 2vbiE1 ALA 443 H -0.12 0.32 -0.03 -0.55 8.40 8.02 2vbiE1 ALA 443 HA -0.84 0.01 0.33 -0.75 4.34 3.09 2vbiE1 ALA 443 HB3 -0.01 0.05 0.03 -0.04 1.41 1.43 2vbiE1 GLN 444 H 0.00 0.13 -0.32 -0.55 8.47 7.73 2vbiE1 GLN 444 HA -0.15 0.08 0.20 -0.75 4.36 3.75 2vbiE1 GLN 444 HB2 -0.10 0.04 0.10 -0.04 2.15 2.14 2vbiE1 GLN 444 HB3 0.04 0.05 0.07 -0.04 2.02 2.13 2vbiE1 GLN 444 HG2 -0.05 -0.00 -0.11 -0.04 2.40 2.19 2vbiE1 GLN 444 HG3 -0.02 -0.02 -0.06 -0.04 2.39 2.25 2vbiE1 GLN 444 HE21 0.06 0.07 -0.02 -0.04 6.97 7.05 2vbiE1 GLN 444 HE22 0.03 0.01 -0.03 -0.04 7.69 7.66 2vbiE1 GLU 445 H -0.15 0.57 -0.41 -0.55 8.60 8.06 2vbiE1 GLU 445 HA -0.28 0.05 0.62 -0.75 4.29 3.93 2vbiE1 GLU 445 HB2 -0.12 0.02 0.09 -0.04 2.09 2.05 2vbiE1 GLU 445 HB3 -0.16 0.06 -0.10 -0.04 1.99 1.75 2vbiE1 GLU 445 HG2 -0.12 0.03 0.02 -0.04 2.34 2.24 2vbiE1 GLU 445 HG3 -0.51 0.06 0.11 -0.04 2.34 1.96 2vbiE1 VAL 446 H -0.19 0.63 -0.07 -0.55 8.24 8.06 2vbiE1 VAL 446 HA -0.05 0.11 0.56 -0.75 4.13 3.99 2vbiE1 VAL 446 HB 0.17 0.05 0.03 -0.04 2.12 2.32 2vbiE1 VAL 446 HG13 0.22 0.01 -0.08 -0.04 0.97 1.08 2vbiE1 VAL 446 HG23 0.27 0.01 0.01 -0.04 0.95 1.20 2vbiE1 ALA 447 H -0.70 0.30 -0.32 -0.55 8.40 7.13 2vbiE1 ALA 447 HA -0.32 0.08 0.44 -0.75 4.34 3.79 2vbiE1 ALA 447 HB3 -0.77 0.05 0.13 -0.04 1.41 0.77 2vbiE1 GLN 448 H -0.35 0.15 -0.30 -0.55 8.47 7.42 2vbiE1 GLN 448 HA -0.13 0.10 0.56 -0.75 4.36 4.14 2vbiE1 GLN 448 HB2 -1.04 0.14 0.14 -0.04 2.15 1.36 2vbiE1 GLN 448 HB3 -0.61 0.09 0.05 -0.04 2.02 1.50 2vbiE1 GLN 448 HG2 -0.31 -0.12 0.13 -0.04 2.40 2.06 2vbiE1 GLN 448 HG3 -0.26 -0.03 0.14 -0.04 2.39 2.20 2vbiE1 GLN 448 HE21 0.07 -0.05 -0.03 -0.04 6.97 6.92 2vbiE1 GLN 448 HE22 0.23 0.24 0.15 -0.04 7.69 8.28 2vbiE1 MET 449 H -0.20 0.23 -0.16 -0.55 8.47 7.79 2vbiE1 MET 449 HA 0.30 0.10 0.42 -0.75 4.52 4.58 2vbiE1 MET 449 HB2 0.04 0.13 0.18 -0.04 2.15 2.46 2vbiE1 MET 449 HB3 0.11 0.14 0.08 -0.04 2.03 2.32 2vbiE1 MET 449 HG2 0.29 0.06 0.00 -0.04 2.63 2.94 2vbiE1 MET 449 HG3 0.01 0.01 0.08 -0.04 2.56 2.61 2vbiE1 MET 449 HE3 0.08 -0.03 -0.16 -0.04 2.10 1.95 2vbiE1 VAL 450 H -0.02 0.30 -0.28 -0.55 8.24 7.69 2vbiE1 VAL 450 HA 0.07 0.05 0.52 -0.75 4.13 4.01 2vbiE1 VAL 450 HB -0.00 0.14 0.18 -0.04 2.12 2.40 2vbiE1 VAL 450 HG13 0.03 -0.02 -0.09 -0.04 0.97 0.86 2vbiE1 VAL 450 HG23 0.10 0.02 0.00 -0.04 0.95 1.03 2vbiE1 ARG 451 H -0.06 0.56 0.01 -0.55 8.46 8.42 2vbiE1 ARG 451 HA -0.11 -0.00 0.37 -0.75 4.34 3.85 2vbiE1 ARG 451 HB2 -0.16 -0.03 0.18 -0.04 1.90 1.84 2vbiE1 ARG 451 HB3 -0.24 0.03 0.25 -0.04 1.80 1.80 2vbiE1 ARG 451 HG2 -0.98 0.07 -0.23 -0.04 1.67 0.48 2vbiE1 ARG 451 HG3 -0.29 -0.02 0.06 -0.04 1.67 1.38 2vbiE1 ARG 451 HD2 -0.15 -0.05 0.02 -0.04 3.22 2.99 2vbiE1 ARG 451 HD3 -0.32 -0.01 0.03 -0.04 3.22 2.87 2vbiE1 TYR 452 H 0.13 0.52 -0.26 -0.55 8.29 8.13 2vbiE1 TYR 452 HA 0.07 0.13 0.65 -0.75 4.56 4.66 2vbiE1 TYR 452 HB2 0.23 0.02 0.03 -0.04 3.06 3.30 2vbiE1 TYR 452 HB3 0.08 0.02 0.10 -0.04 2.98 3.14 2vbiE1 TYR 452 HD2 0.18 0.09 0.01 -0.04 7.15 7.39 2vbiE1 TYR 452 HE2 0.08 0.02 0.04 -0.04 6.85 6.96 2vbiE1 GLU 453 H 0.10 0.33 -0.47 -0.55 8.60 8.01 2vbiE1 GLU 453 HA 0.10 0.09 0.29 -0.75 4.29 4.02 2vbiE1 GLU 453 HB2 0.08 0.06 -0.03 -0.04 2.09 2.16 2vbiE1 GLU 453 HB3 0.07 -0.03 0.16 -0.04 1.99 2.16 2vbiE1 GLU 453 HG2 0.10 0.08 0.06 -0.04 2.34 2.54 2vbiE1 GLU 453 HG3 0.07 -0.01 -0.19 -0.04 2.34 2.17 2vbiE1 LEU 454 H 0.14 0.51 -0.03 -0.55 8.37 8.44 2vbiE1 LEU 454 HA 0.07 0.33 0.78 -0.75 4.35 4.77 2vbiE1 LEU 454 HB2 0.15 -0.19 0.10 -0.04 1.64 1.66 2vbiE1 LEU 454 HB3 0.05 -0.01 -0.12 -0.04 1.64 1.52 2vbiE1 LEU 454 HG 0.17 0.03 -0.32 -0.04 1.64 1.48 2vbiE1 LEU 454 HD13 0.04 -0.06 -0.10 -0.04 0.93 0.77 2vbiE1 LEU 454 HD23 -0.01 0.06 -0.16 -0.04 0.89 0.73 2vbiE1 PRO 455 HA 0.06 0.26 -0.02 -0.51 4.44 4.23 2vbiE1 PRO 455 HB2 0.04 -0.00 0.21 -0.04 2.28 2.49 2vbiE1 PRO 455 HB3 0.04 0.03 -0.01 -0.04 2.02 2.04 2vbiE1 PRO 455 HG2 0.06 -0.01 0.09 -0.04 2.03 2.13 2vbiE1 PRO 455 HG3 0.04 0.12 0.12 -0.04 2.03 2.27 2vbiE1 PRO 455 HD2 0.05 0.06 0.11 -0.04 3.68 3.86 2vbiE1 PRO 455 HD3 0.05 0.38 0.21 -0.04 3.65 4.25 2vbiE1 VAL 456 H 0.07 0.44 -0.12 -0.55 8.24 8.08 2vbiE1 VAL 456 HA 0.10 0.22 0.68 -0.75 4.13 4.37 2vbiE1 VAL 456 HB 0.07 -0.12 0.01 -0.04 2.12 2.04 2vbiE1 VAL 456 HG13 0.08 -0.04 -0.37 -0.04 0.97 0.60 2vbiE1 VAL 456 HG23 0.04 0.02 -0.19 -0.04 0.95 0.77 2vbiE1 ILE 457 H 0.07 0.76 0.38 -0.55 8.25 8.91 2vbiE1 ILE 457 HA -0.06 0.17 1.08 -0.75 4.18 4.62 2vbiE1 ILE 457 HB 0.04 -0.00 0.23 -0.04 1.89 2.11 2vbiE1 ILE 457 HG12 -0.04 -0.05 -0.04 -0.04 1.49 1.32 2vbiE1 ILE 457 HG13 0.02 0.14 -0.15 -0.04 1.21 1.18 2vbiE1 ILE 457 HG23 -0.36 -0.04 -0.11 -0.04 0.93 0.37 2vbiE1 ILE 457 HD13 0.04 0.01 -0.10 -0.04 0.88 0.79 2vbiE1 ILE 458 H -0.11 0.82 0.33 -0.55 8.25 8.74 2vbiE1 ILE 458 HA 0.03 0.11 0.94 -0.75 4.18 4.51 2vbiE1 ILE 458 HB -0.02 -0.03 0.12 -0.04 1.89 1.92 2vbiE1 ILE 458 HG12 0.08 -0.03 -0.19 -0.04 1.49 1.31 2vbiE1 ILE 458 HG13 0.04 0.10 -0.41 -0.04 1.21 0.90 2vbiE1 ILE 458 HG23 0.02 -0.05 -0.29 -0.04 0.93 0.57 2vbiE1 ILE 458 HD13 0.14 -0.01 -0.13 -0.04 0.88 0.83 2vbiE1 PHE 459 H 0.21 0.90 0.35 -0.55 8.34 9.25 2vbiE1 PHE 459 HA -0.03 0.16 0.98 -0.75 4.62 4.98 2vbiE1 PHE 459 HB2 0.00 0.06 0.33 -0.04 3.15 3.50 2vbiE1 PHE 459 HB3 -0.02 -0.10 0.04 -0.04 3.06 2.94 2vbiE1 PHE 459 HD2 0.01 0.02 -0.02 -0.04 7.28 7.25 2vbiE1 PHE 459 HE2 0.02 0.03 -0.08 -0.04 7.38 7.31 2vbiE1 PHE 459 HZ 0.04 0.07 -0.10 -0.04 7.32 7.29 2vbiE1 LEU 460 H -0.07 0.62 0.21 -0.55 8.37 8.59 2vbiE1 LEU 460 HA -0.14 0.22 0.73 -0.75 4.35 4.42 2vbiE1 LEU 460 HB2 -0.33 0.06 -0.07 -0.04 1.64 1.25 2vbiE1 LEU 460 HB3 -0.23 -0.06 0.13 -0.04 1.64 1.43 2vbiE1 LEU 460 HG -0.75 -0.02 -0.10 -0.04 1.64 0.73 2vbiE1 LEU 460 HD13 -0.78 -0.04 -0.31 -0.04 0.93 -0.24 2vbiE1 LEU 460 HD23 -0.59 0.03 -0.21 -0.04 0.89 0.07 2vbiE1 ILE 461 H -0.07 0.71 0.31 -0.55 8.25 8.65 2vbiE1 ILE 461 HA -0.04 0.25 0.72 -0.75 4.18 4.36 2vbiE1 ILE 461 HB -0.04 -0.23 0.20 -0.04 1.89 1.78 2vbiE1 ILE 461 HG12 0.01 0.14 -0.05 -0.04 1.49 1.54 2vbiE1 ILE 461 HG13 0.00 -0.08 -0.10 -0.04 1.21 0.99 2vbiE1 ILE 461 HG23 -0.02 -0.00 -0.12 -0.04 0.93 0.75 2vbiE1 ILE 461 HD13 0.03 0.03 -0.21 -0.04 0.88 0.69 2vbiE1 ASN 462 H -0.09 0.75 0.28 -0.55 8.53 8.93 2vbiE1 ASN 462 HA -0.15 -0.13 0.81 -0.75 4.76 4.54 2vbiE1 ASN 462 HB2 -0.17 -0.02 0.04 -0.04 2.88 2.70 2vbiE1 ASN 462 HB3 -0.02 0.12 0.15 -0.04 2.79 3.00 2vbiE1 ASN 462 HD21 0.21 0.04 0.06 -0.04 7.03 7.30 2vbiE1 ASN 462 HD22 0.18 0.02 0.04 -0.04 7.74 7.93 2vbiE1 ASN 463 H -0.05 0.10 0.25 -0.55 8.53 8.28 2vbiE1 ASN 463 HA -0.01 0.50 0.92 -0.75 4.76 5.42 2vbiE1 ASN 463 HB2 -0.01 0.02 -0.00 -0.04 2.88 2.84 2vbiE1 ASN 463 HB3 -0.02 0.05 -0.16 -0.04 2.79 2.63 2vbiE1 ASN 463 HD21 -0.02 -0.18 0.08 -0.04 7.03 6.87 2vbiE1 ASN 463 HD22 -0.02 0.12 -0.05 -0.04 7.74 7.74 2vbiE1 ARG 464 H -0.01 -0.03 0.03 -0.55 8.46 7.89 2vbiE1 ARG 464 HA 0.01 -0.01 0.33 -0.75 4.34 3.91 2vbiE1 ARG 464 HB2 0.03 0.19 0.03 -0.04 1.90 2.11 2vbiE1 ARG 464 HB3 0.05 0.04 0.21 -0.04 1.80 2.06 2vbiE1 ARG 464 HG2 0.03 -0.02 -0.28 -0.04 1.67 1.35 2vbiE1 ARG 464 HG3 0.03 0.05 -0.06 -0.04 1.67 1.65 2vbiE1 ARG 464 HD2 0.05 0.04 0.04 -0.04 3.22 3.31 2vbiE1 ARG 464 HD3 0.06 -0.09 0.03 -0.04 3.22 3.17 2vbiE1 GLY 465 H -0.06 -0.06 0.07 -0.55 8.43 7.84 2vbiE1 GLY 465 HA2 -0.25 0.00 0.31 -0.51 4.01 3.56 2vbiE1 GLY 465 HA3 -0.22 0.39 0.94 -0.51 4.01 4.61 2vbiE1 TYR 466 H -0.33 0.73 0.26 -0.55 8.29 8.40 2vbiE1 TYR 466 HA -0.09 -0.06 0.68 -0.75 4.56 4.34 2vbiE1 TYR 466 HB2 -0.09 0.09 0.31 -0.04 3.06 3.33 2vbiE1 TYR 466 HB3 -0.06 -0.04 0.16 -0.04 2.98 3.00 2vbiE1 TYR 466 HD2 -0.03 -0.07 -0.01 -0.04 7.15 7.00 2vbiE1 TYR 466 HE2 -0.02 0.03 -0.01 -0.04 6.85 6.81 2vbiE1 VAL 467 H 0.01 0.33 0.17 -0.55 8.24 8.20 2vbiE1 VAL 467 HA -0.04 0.15 0.33 -0.75 4.13 3.81 2vbiE1 VAL 467 HB -0.02 -0.14 0.15 -0.04 2.12 2.08 2vbiE1 VAL 467 HG13 -0.02 0.03 -0.13 -0.04 0.97 0.80 2vbiE1 VAL 467 HG23 -0.03 0.05 -0.04 -0.04 0.95 0.89 2vbiE1 ILE 468 H -0.01 0.00 -0.01 -0.55 8.25 7.68 2vbiE1 ILE 468 HA 0.00 0.10 0.36 -0.75 4.18 3.89 2vbiE1 ILE 468 HB -0.02 -0.21 0.10 -0.04 1.89 1.71 2vbiE1 ILE 468 HG12 0.11 0.12 -0.09 -0.04 1.49 1.60 2vbiE1 ILE 468 HG13 0.12 0.05 0.06 -0.04 1.21 1.40 2vbiE1 ILE 468 HG23 -0.07 0.01 -0.10 -0.04 0.93 0.73 2vbiE1 ILE 468 HD13 0.04 0.00 -0.04 -0.04 0.88 0.84 2vbiE1 GLU 469 H 0.03 0.14 -0.69 -0.55 8.60 7.54 2vbiE1 GLU 469 HA 0.06 0.18 0.67 -0.75 4.29 4.45 2vbiE1 GLU 469 HB2 0.06 -0.17 0.03 -0.04 2.09 1.97 2vbiE1 GLU 469 HB3 0.12 0.07 0.01 -0.04 1.99 2.15 2vbiE1 GLU 469 HG2 0.10 0.00 -0.02 -0.04 2.34 2.37 2vbiE1 GLU 469 HG3 0.13 0.13 0.04 -0.04 2.34 2.60 2vbiE1 ILE 470 H -0.01 0.40 0.17 -0.55 8.25 8.27 2vbiE1 ILE 470 HA -0.02 0.01 0.36 -0.75 4.18 3.77 2vbiE1 ILE 470 HB -0.05 -0.01 0.11 -0.04 1.89 1.90 2vbiE1 ILE 470 HG12 -0.39 -0.02 -0.01 -0.04 1.49 1.03 2vbiE1 ILE 470 HG13 -0.19 0.11 0.01 -0.04 1.21 1.11 2vbiE1 ILE 470 HG23 0.01 0.01 -0.14 -0.04 0.93 0.76 2vbiE1 ILE 470 HD13 -0.29 -0.02 -0.23 -0.04 0.88 0.30 2vbiE1 ALA 471 H -0.00 0.50 -0.23 -0.55 8.40 8.13 2vbiE1 ALA 471 HA -0.01 0.07 0.34 -0.75 4.34 3.98 2vbiE1 ALA 471 HB3 -0.02 -0.02 -0.03 -0.04 1.41 1.30 2vbiE1 ILE 472 H 0.03 0.12 -0.66 -0.55 8.25 7.19 2vbiE1 ILE 472 HA 0.00 0.15 0.61 -0.75 4.18 4.19 2vbiE1 ILE 472 HB 0.04 0.06 0.13 -0.04 1.89 2.08 2vbiE1 ILE 472 HG12 0.01 -0.02 -0.00 -0.04 1.49 1.44 2vbiE1 ILE 472 HG13 -0.05 0.00 -0.28 -0.04 1.21 0.85 2vbiE1 ILE 472 HG23 0.03 0.00 -0.17 -0.04 0.93 0.75 2vbiE1 ILE 472 HD13 -0.01 0.04 -0.28 -0.04 0.88 0.58 2vbiE1 HIS 473 H 0.11 0.64 0.01 -0.55 8.41 8.63 2vbiE1 HIS 473 HA 0.03 0.11 0.70 -0.75 4.63 4.72 2vbiE1 HIS 473 HB2 0.02 0.05 -0.22 -0.04 3.26 3.07 2vbiE1 HIS 473 HB3 0.06 -0.08 0.12 -0.04 3.20 3.26 2vbiE1 HIS 473 HD2 0.25 -0.10 -0.18 -0.04 6.97 6.89 2vbiE1 HIS 473 HE1 0.04 -0.00 -0.01 -0.04 7.75 7.73 2vbiE1 ASP 474 H -0.11 0.16 0.06 -0.55 8.40 7.96 2vbiE1 ASP 474 HA 0.02 0.03 0.44 -0.75 4.63 4.36 2vbiE1 ASP 474 HB2 -0.01 0.27 0.12 -0.04 2.71 3.05 2vbiE1 ASP 474 HB3 -0.04 -0.01 0.05 -0.04 2.70 2.66 2vbiE1 GLY 475 H -0.19 0.25 0.25 -0.55 8.43 8.20 2vbiE1 GLY 475 HA2 -0.25 0.15 0.42 -0.51 4.01 3.82 2vbiE1 GLY 475 HA3 -0.90 0.09 0.38 -0.51 4.01 3.07 2vbiE1 PRO 476 HA 0.06 0.07 0.36 -0.51 4.44 4.43 2vbiE1 PRO 476 HB2 -0.00 0.06 0.00 -0.04 2.28 2.30 2vbiE1 PRO 476 HB3 -0.04 0.05 0.14 -0.04 2.02 2.12 2vbiE1 PRO 476 HG2 -0.03 0.05 0.08 -0.04 2.03 2.09 2vbiE1 PRO 476 HG3 -0.04 0.08 0.09 -0.04 2.03 2.13 2vbiE1 PRO 476 HD2 -0.28 0.15 0.23 -0.04 3.68 3.74 2vbiE1 PRO 476 HD3 -0.13 0.17 0.18 -0.04 3.65 3.83 2vbiE1 TYR 477 H -0.86 0.10 -0.54 -0.55 8.29 6.43 2vbiE1 TYR 477 HA 0.06 0.13 0.42 -0.75 4.56 4.41 2vbiE1 TYR 477 HB2 0.10 0.01 0.04 -0.04 3.06 3.16 2vbiE1 TYR 477 HB3 0.07 0.03 0.05 -0.04 2.98 3.08 2vbiE1 TYR 477 HD2 0.08 -0.00 -0.13 -0.04 7.15 7.05 2vbiE1 TYR 477 HE2 0.11 0.12 -0.06 -0.04 6.85 6.98 2vbiE1 ASN 478 H -0.11 0.48 -0.30 -0.55 8.53 8.06 2vbiE1 ASN 478 HA 0.03 0.08 0.65 -0.75 4.76 4.78 2vbiE1 ASN 478 HB2 -0.46 0.15 0.12 -0.04 2.88 2.65 2vbiE1 ASN 478 HB3 -0.39 -0.13 0.14 -0.04 2.79 2.38 2vbiE1 ASN 478 HD21 0.19 0.39 -0.15 -0.04 7.03 7.42 2vbiE1 ASN 478 HD22 -0.05 -0.12 0.02 -0.04 7.74 7.55 2vbiE1 TYR 479 H -0.01 0.41 -0.25 -0.55 8.29 7.89 2vbiE1 TYR 479 HA -0.17 0.07 0.92 -0.75 4.56 4.63 2vbiE1 TYR 479 HB2 -0.08 0.11 0.14 -0.04 3.06 3.19 2vbiE1 TYR 479 HB3 -0.08 0.03 0.00 -0.04 2.98 2.90 2vbiE1 TYR 479 HD2 -0.09 0.07 0.02 -0.04 7.15 7.10 2vbiE1 TYR 479 HE2 -0.08 -0.00 -0.09 -0.04 6.85 6.64 2vbiE1 ILE 480 H -0.11 0.12 0.10 -0.55 8.25 7.81 2vbiE1 ILE 480 HA -0.06 0.25 0.77 -0.75 4.18 4.39 2vbiE1 ILE 480 HB -0.12 0.08 -0.02 -0.04 1.89 1.79 2vbiE1 ILE 480 HG12 -0.29 -0.09 -0.06 -0.04 1.49 1.01 2vbiE1 ILE 480 HG13 -0.11 0.02 -0.27 -0.04 1.21 0.80 2vbiE1 ILE 480 HG23 -0.39 0.01 -0.19 -0.04 0.93 0.31 2vbiE1 ILE 480 HD13 -0.15 -0.02 -0.19 -0.04 0.88 0.48 2vbiE1 LYS 481 H 0.03 0.14 0.10 -0.55 8.42 8.14 2vbiE1 LYS 481 HA 0.06 0.06 0.57 -0.75 4.32 4.26 2vbiE1 LYS 481 HB2 0.11 0.02 0.12 -0.04 1.87 2.08 2vbiE1 LYS 481 HB3 0.21 -0.04 0.12 -0.04 1.79 2.04 2vbiE1 LYS 481 HG2 0.21 -0.03 -0.03 -0.04 1.46 1.57 2vbiE1 LYS 481 HG3 0.25 0.24 -0.21 -0.04 1.46 1.70 2vbiE1 LYS 481 HD2 0.07 -0.04 0.07 -0.04 1.69 1.76 2vbiE1 LYS 481 HD3 0.08 -0.01 0.02 -0.04 1.68 1.73 2vbiE1 LYS 481 HE2 0.05 -0.02 0.01 -0.04 2.99 2.99 2vbiE1 LYS 481 HE3 0.06 -0.02 0.00 -0.04 2.99 2.99 2vbiE1 ASN 482 H 0.06 0.14 0.18 -0.55 8.53 8.38 2vbiE1 ASN 482 HA 0.04 -0.03 0.55 -0.75 4.76 4.56 2vbiE1 ASN 482 HB2 0.06 0.03 0.14 -0.04 2.88 3.07 2vbiE1 ASN 482 HB3 0.07 0.02 0.06 -0.04 2.79 2.89 2vbiE1 ASN 482 HD21 0.09 -0.01 -0.01 -0.04 7.03 7.05 2vbiE1 ASN 482 HD22 0.06 0.00 -0.08 -0.04 7.74 7.68 2vbiE1 TRP 483 H -0.24 0.06 0.17 -0.55 7.97 7.41 2vbiE1 TRP 483 HA -0.22 0.27 0.84 -0.75 4.62 4.75 2vbiE1 TRP 483 HB2 -1.54 -0.10 -0.06 -0.04 3.23 1.49 2vbiE1 TRP 483 HB3 -0.44 0.02 -0.10 -0.04 3.23 2.67 2vbiE1 TRP 483 HD1 -0.09 0.21 -0.66 -0.04 7.22 6.64 2vbiE1 TRP 483 HE1 0.01 0.01 -0.09 -0.04 10.20 10.09 2vbiE1 TRP 483 HE3 0.12 -0.04 -0.11 -0.04 7.59 7.52 2vbiE1 TRP 483 HZ2 0.07 0.04 -0.01 -0.04 7.44 7.49 2vbiE1 TRP 483 HZ3 0.24 -0.03 -0.08 -0.04 7.13 7.22 2vbiE1 TRP 483 HH2 0.08 0.10 0.04 -0.04 7.19 7.37 2vbiE1 ASP 484 H -0.06 0.25 0.01 -0.55 8.40 8.06 2vbiE1 ASP 484 HA 0.00 0.15 0.80 -0.75 4.63 4.83 2vbiE1 ASP 484 HB2 -0.03 0.10 0.08 -0.04 2.71 2.83 2vbiE1 ASP 484 HB3 -0.06 0.05 0.17 -0.04 2.70 2.82 2vbiE1 TYR 485 H 0.07 0.32 -0.17 -0.55 8.29 7.96 2vbiE1 TYR 485 HA 0.19 0.10 0.22 -0.75 4.56 4.31 2vbiE1 TYR 485 HB2 -0.05 -0.01 0.04 -0.04 3.06 3.01 2vbiE1 TYR 485 HB3 -0.17 0.06 -0.04 -0.04 2.98 2.79 2vbiE1 TYR 485 HD2 0.09 0.05 -0.00 -0.04 7.15 7.24 2vbiE1 TYR 485 HE2 -0.18 0.04 0.03 -0.04 6.85 6.70 2vbiE1 ALA 486 H 0.11 0.08 -0.15 -0.55 8.40 7.90 2vbiE1 ALA 486 HA 0.04 0.13 0.42 -0.75 4.34 4.18 2vbiE1 ALA 486 HB3 0.03 0.05 -0.24 -0.04 1.41 1.21 2vbiE1 GLY 487 H 0.01 0.06 -0.37 -0.55 8.43 7.58 2vbiE1 GLY 487 HA2 -0.03 0.09 0.32 -0.51 4.01 3.89 2vbiE1 GLY 487 HA3 -0.04 0.04 0.25 -0.51 4.01 3.76 2vbiE1 LEU 488 H -0.01 0.31 -0.64 -0.55 8.37 7.48 2vbiE1 LEU 488 HA -0.25 0.03 0.35 -0.75 4.35 3.73 2vbiE1 LEU 488 HB2 -0.00 -0.02 0.04 -0.04 1.64 1.61 2vbiE1 LEU 488 HB3 0.09 0.20 0.04 -0.04 1.64 1.92 2vbiE1 LEU 488 HG -0.60 -0.00 -0.10 -0.04 1.64 0.90 2vbiE1 LEU 488 HD13 -0.43 -0.01 -0.01 -0.04 0.93 0.44 2vbiE1 LEU 488 HD23 0.53 -0.02 -0.08 -0.04 0.89 1.28 2vbiE1 MET 489 H -0.02 0.39 -0.32 -0.55 8.47 7.98 2vbiE1 MET 489 HA 0.09 0.05 0.31 -0.75 4.52 4.22 2vbiE1 MET 489 HB2 0.02 0.09 -0.04 -0.04 2.15 2.19 2vbiE1 MET 489 HB3 0.05 0.08 -0.40 -0.04 2.03 1.72 2vbiE1 MET 489 HG2 0.10 -0.06 -0.06 -0.04 2.63 2.57 2vbiE1 MET 489 HG3 0.06 0.26 -0.45 -0.04 2.56 2.39 2vbiE1 MET 489 HE3 0.11 0.03 -0.16 -0.04 2.10 2.04 2vbiE1 GLU 490 H -0.04 0.20 -0.14 -0.55 8.60 8.07 2vbiE1 GLU 490 HA -0.02 0.10 0.42 -0.75 4.29 4.05 2vbiE1 GLU 490 HB2 -0.05 0.08 0.10 -0.04 2.09 2.18 2vbiE1 GLU 490 HB3 -0.04 0.00 -0.02 -0.04 1.99 1.89 2vbiE1 GLU 490 HG2 -0.02 -0.01 0.04 -0.04 2.34 2.31 2vbiE1 GLU 490 HG3 -0.02 0.01 0.03 -0.04 2.34 2.31 2vbiE1 VAL 491 H -0.16 0.20 -0.46 -0.55 8.24 7.27 2vbiE1 VAL 491 HA -0.10 0.04 0.39 -0.75 4.13 3.71 2vbiE1 VAL 491 HB -0.47 0.15 0.13 -0.04 2.12 1.89 2vbiE1 VAL 491 HG13 -0.19 -0.01 -0.10 -0.04 0.97 0.63 2vbiE1 VAL 491 HG23 -0.17 0.01 0.01 -0.04 0.95 0.75 2vbiE1 PHE 492 H -0.22 0.37 -0.12 -0.55 8.34 7.81 2vbiE1 PHE 492 HA -0.02 0.05 0.48 -0.75 4.62 4.38 2vbiE1 PHE 492 HB2 0.02 0.10 0.06 -0.04 3.15 3.28 2vbiE1 PHE 492 HB3 -0.00 -0.04 0.06 -0.04 3.06 3.05 2vbiE1 PHE 492 HD2 0.03 0.05 -0.12 -0.04 7.28 7.20 2vbiE1 PHE 492 HE2 0.07 -0.02 -0.09 -0.04 7.38 7.29 2vbiE1 PHE 492 HZ 0.03 -0.11 -0.19 -0.04 7.32 7.01 2vbiE1 ASN 493 H 0.06 0.37 -0.26 -0.55 8.53 8.16 2vbiE1 ASN 493 HA 0.03 -0.02 0.56 -0.75 4.76 4.58 2vbiE1 ASN 493 HB2 -0.00 0.02 0.17 -0.04 2.88 3.03 2vbiE1 ASN 493 HB3 -0.03 -0.06 -0.07 -0.04 2.79 2.59 2vbiE1 ASN 493 HD21 0.02 0.50 -0.10 -0.04 7.03 7.41 2vbiE1 ASN 493 HD22 -0.00 -0.12 -0.12 -0.04 7.74 7.45 2vbiE1 ALA 494 H 0.00 0.55 -0.06 -0.55 8.40 8.34 2vbiE1 ALA 494 HA -0.01 0.00 0.32 -0.75 4.34 3.90 2vbiE1 ALA 494 HB3 0.00 0.06 0.05 -0.04 1.41 1.47 2vbiE1 GLY 495 H -0.03 0.06 -0.26 -0.55 8.43 7.65 2vbiE1 GLY 495 HA2 -0.04 -0.02 0.25 -0.51 4.01 3.70 2vbiE1 GLY 495 HA3 -0.03 0.06 0.47 -0.51 4.01 4.00 2vbiE1 GLU 496 H -0.04 0.53 -0.41 -0.55 8.60 8.13 2vbiE1 GLU 496 HA -0.06 0.13 0.87 -0.75 4.29 4.46 2vbiE1 GLU 496 HB2 -0.03 0.14 0.22 -0.04 2.09 2.38 2vbiE1 GLU 496 HB3 -0.04 -0.02 -0.02 -0.04 1.99 1.87 2vbiE1 GLU 496 HG2 -0.02 -0.03 0.02 -0.04 2.34 2.26 2vbiE1 GLU 496 HG3 -0.02 0.04 -0.04 -0.04 2.34 2.28 2vbiE1 GLY 497 H -0.06 0.24 0.22 -0.55 8.43 8.28 2vbiE1 GLY 497 HA2 -0.07 0.17 0.25 -0.51 4.01 3.85 2vbiE1 GLY 497 HA3 -0.03 -0.06 0.35 -0.51 4.01 3.77 2vbiE1 HIS 498 H 0.09 0.24 0.11 -0.55 8.41 8.31 2vbiE1 HIS 498 HA 0.02 0.20 0.80 -0.75 4.63 4.90 2vbiE1 HIS 498 HB2 0.03 0.26 -0.18 -0.04 3.26 3.32 2vbiE1 HIS 498 HB3 0.02 -0.09 0.01 -0.04 3.20 3.10 2vbiE1 HIS 498 HD2 0.01 -0.06 -0.04 -0.04 6.97 6.84 2vbiE1 HIS 498 HE1 0.01 -0.02 -0.01 -0.04 7.75 7.69 2vbiE1 GLY 499 H 0.05 -0.02 -0.20 -0.55 8.43 7.72 2vbiE1 GLY 499 HA2 0.08 0.33 0.50 -0.51 4.01 4.41 2vbiE1 GLY 499 HA3 0.08 -0.10 0.23 -0.51 4.01 3.71 2vbiE1 LEU 500 H 0.05 0.67 0.33 -0.55 8.37 8.87 2vbiE1 LEU 500 HA 0.03 0.13 0.89 -0.75 4.35 4.64 2vbiE1 LEU 500 HB2 0.03 0.17 0.03 -0.04 1.64 1.83 2vbiE1 LEU 500 HB3 0.01 -0.10 -0.12 -0.04 1.64 1.39 2vbiE1 LEU 500 HG 0.03 0.10 -0.14 -0.04 1.64 1.58 2vbiE1 LEU 500 HD13 0.02 0.01 -0.14 -0.04 0.93 0.77 2vbiE1 LEU 500 HD23 0.02 -0.03 -0.03 -0.04 0.89 0.81 2vbiE1 GLY 501 H 0.01 0.21 0.12 -0.55 8.43 8.24 2vbiE1 GLY 501 HA2 0.01 0.23 1.09 -0.51 4.01 4.82 2vbiE1 GLY 501 HA3 0.01 0.18 0.46 -0.51 4.01 4.15 2vbiE1 LEU 502 H -0.01 0.70 0.39 -0.55 8.37 8.90 2vbiE1 LEU 502 HA 0.00 0.16 0.99 -0.75 4.35 4.75 2vbiE1 LEU 502 HB2 -0.02 0.01 0.01 -0.04 1.64 1.59 2vbiE1 LEU 502 HB3 -0.00 0.03 0.02 -0.04 1.64 1.64 2vbiE1 LEU 502 HG -0.00 -0.09 -0.54 -0.04 1.64 0.96 2vbiE1 LEU 502 HD13 -0.01 0.01 -0.09 -0.04 0.93 0.80 2vbiE1 LEU 502 HD23 0.00 0.03 -0.04 -0.04 0.89 0.85 2vbiE1 LYS 503 H 0.01 0.22 0.20 -0.55 8.42 8.29 2vbiE1 LYS 503 HA 0.01 0.16 1.02 -0.75 4.32 4.76 2vbiE1 LYS 503 HB2 0.01 0.02 0.16 -0.04 1.87 2.02 2vbiE1 LYS 503 HB3 0.01 0.02 -0.05 -0.04 1.79 1.73 2vbiE1 LYS 503 HG2 0.03 -0.01 0.06 -0.04 1.46 1.50 2vbiE1 LYS 503 HG3 0.02 -0.05 -0.05 -0.04 1.46 1.34 2vbiE1 LYS 503 HD2 0.02 0.04 0.00 -0.04 1.69 1.71 2vbiE1 LYS 503 HD3 0.02 0.03 -0.00 -0.04 1.68 1.69 2vbiE1 LYS 503 HE2 0.02 0.02 -0.01 -0.04 2.99 2.97 2vbiE1 LYS 503 HE3 0.02 0.05 -0.00 -0.04 2.99 3.02 2vbiE1 ALA 504 H 0.01 0.79 0.24 -0.55 8.40 8.89 2vbiE1 ALA 504 HA 0.00 0.12 0.80 -0.75 4.34 4.52 2vbiE1 ALA 504 HB3 0.01 0.01 -0.09 -0.04 1.41 1.30 2vbiE1 THR 505 H -0.00 0.01 0.19 -0.55 8.28 7.92 2vbiE1 THR 505 HA 0.00 0.21 0.98 -0.75 4.39 4.83 2vbiE1 THR 505 HB 0.01 -0.01 -0.08 -0.04 4.32 4.19 2vbiE1 THR 505 HG23 0.00 -0.00 -0.10 -0.04 1.22 1.08 2vbiE1 THR 506 H -0.01 -0.07 0.27 -0.55 8.28 7.92 2vbiE1 THR 506 HA -0.01 0.35 0.74 -0.75 4.39 4.71 2vbiE1 THR 506 HB 0.00 0.34 0.25 -0.04 4.32 4.87 2vbiE1 THR 506 HG23 0.00 0.02 -0.22 -0.04 1.22 0.98 2vbiE1 PRO 507 HA -0.18 0.05 0.51 -0.51 4.44 4.31 2vbiE1 PRO 507 HB2 0.06 0.04 -0.03 -0.04 2.28 2.30 2vbiE1 PRO 507 HB3 0.07 0.04 0.03 -0.04 2.02 2.12 2vbiE1 PRO 507 HG2 0.02 0.23 -0.04 -0.04 2.03 2.19 2vbiE1 PRO 507 HG3 -0.01 -0.10 -0.01 -0.04 2.03 1.88 2vbiE1 PRO 507 HD2 0.01 0.36 0.13 -0.04 3.68 4.14 2vbiE1 PRO 507 HD3 -0.01 0.23 -0.03 -0.04 3.65 3.80 2vbiE1 LYS 508 H 0.02 0.56 0.04 -0.55 8.42 8.49 2vbiE1 LYS 508 HA 0.06 0.13 0.58 -0.75 4.32 4.34 2vbiE1 LYS 508 HB2 0.03 -0.00 0.11 -0.04 1.87 1.97 2vbiE1 LYS 508 HB3 0.02 -0.01 0.05 -0.04 1.79 1.81 2vbiE1 LYS 508 HG2 0.03 -0.02 -0.03 -0.04 1.46 1.40 2vbiE1 LYS 508 HG3 0.03 0.03 0.03 -0.04 1.46 1.51 2vbiE1 LYS 508 HD2 0.02 -0.02 -0.08 -0.04 1.69 1.57 2vbiE1 LYS 508 HD3 0.02 0.03 -0.06 -0.04 1.68 1.64 2vbiE1 LYS 508 HE2 0.02 0.03 -0.02 -0.04 2.99 2.98 2vbiE1 LYS 508 HE3 0.02 -0.05 -0.05 -0.04 2.99 2.87 2vbiE1 GLU 509 H 0.00 0.08 -0.21 -0.55 8.60 7.92 2vbiE1 GLU 509 HA 0.02 0.13 0.39 -0.75 4.29 4.07 2vbiE1 GLU 509 HB2 0.00 -0.01 0.20 -0.04 2.09 2.25 2vbiE1 GLU 509 HB3 -0.00 -0.24 0.21 -0.04 1.99 1.92 2vbiE1 GLU 509 HG2 0.01 0.19 0.19 -0.04 2.34 2.68 2vbiE1 GLU 509 HG3 0.01 0.05 0.10 -0.04 2.34 2.46 2vbiE1 LEU 510 H -0.04 0.34 -0.29 -0.55 8.37 7.84 2vbiE1 LEU 510 HA 0.01 0.05 0.53 -0.75 4.35 4.18 2vbiE1 LEU 510 HB2 -0.10 -0.07 -0.00 -0.04 1.64 1.43 2vbiE1 LEU 510 HB3 -0.31 0.12 0.09 -0.04 1.64 1.51 2vbiE1 LEU 510 HG -0.05 0.07 -0.22 -0.04 1.64 1.41 2vbiE1 LEU 510 HD13 0.20 -0.01 -0.05 -0.04 0.93 1.03 2vbiE1 LEU 510 HD23 -0.33 0.00 -0.09 -0.04 0.89 0.43 2vbiE1 THR 511 H 0.06 0.39 -0.18 -0.55 8.28 7.99 2vbiE1 THR 511 HA 0.24 0.08 0.41 -0.75 4.39 4.36 2vbiE1 THR 511 HB 0.26 0.15 0.21 -0.04 4.32 4.91 2vbiE1 THR 511 HG23 0.07 0.08 0.03 -0.04 1.22 1.36 2vbiE1 GLU 512 H 0.05 0.40 -0.19 -0.55 8.60 8.32 2vbiE1 GLU 512 HA 0.04 0.08 0.43 -0.75 4.29 4.09 2vbiE1 GLU 512 HB2 0.03 0.04 0.12 -0.04 2.09 2.24 2vbiE1 GLU 512 HB3 0.02 -0.00 -0.03 -0.04 1.99 1.94 2vbiE1 GLU 512 HG2 0.02 0.01 0.02 -0.04 2.34 2.35 2vbiE1 GLU 512 HG3 0.03 -0.01 0.01 -0.04 2.34 2.34 2vbiE1 ALA 513 H 0.04 0.29 -0.32 -0.55 8.40 7.87 2vbiE1 ALA 513 HA 0.01 0.03 0.35 -0.75 4.34 3.97 2vbiE1 ALA 513 HB3 0.01 0.03 0.03 -0.04 1.41 1.44 2vbiE1 ILE 514 H 0.08 0.46 -0.28 -0.55 8.25 7.96 2vbiE1 ILE 514 HA 0.05 0.04 0.41 -0.75 4.18 3.92 2vbiE1 ILE 514 HB 0.15 0.10 0.09 -0.04 1.89 2.19 2vbiE1 ILE 514 HG12 0.38 -0.02 -0.06 -0.04 1.49 1.75 2vbiE1 ILE 514 HG13 0.22 0.01 -0.01 -0.04 1.21 1.39 2vbiE1 ILE 514 HG23 0.14 0.02 -0.11 -0.04 0.93 0.94 2vbiE1 ILE 514 HD13 0.31 -0.01 -0.14 -0.04 0.88 1.01 2vbiE1 ALA 515 H 0.06 0.34 -0.23 -0.55 8.40 8.02 2vbiE1 ALA 515 HA 0.04 0.07 0.45 -0.75 4.34 4.14 2vbiE1 ALA 515 HB3 0.03 0.04 0.10 -0.04 1.41 1.54 2vbiE1 ARG 516 H 0.02 0.40 -0.22 -0.55 8.46 8.11 2vbiE1 ARG 516 HA 0.02 0.03 0.39 -0.75 4.34 4.02 2vbiE1 ARG 516 HB2 0.01 0.13 0.09 -0.04 1.90 2.08 2vbiE1 ARG 516 HB3 0.01 -0.03 -0.05 -0.04 1.80 1.69 2vbiE1 ARG 516 HG2 0.02 0.02 0.02 -0.04 1.67 1.69 2vbiE1 ARG 516 HG3 0.01 -0.07 -0.05 -0.04 1.67 1.52 2vbiE1 ARG 516 HD2 0.02 0.03 -0.02 -0.04 3.22 3.21 2vbiE1 ARG 516 HD3 0.02 -0.02 -0.03 -0.04 3.22 3.14 2vbiE1 ALA 517 H 0.01 0.36 -0.27 -0.55 8.40 7.95 2vbiE1 ALA 517 HA -0.00 0.02 0.34 -0.75 4.34 3.93 2vbiE1 ALA 517 HB3 -0.04 0.01 0.07 -0.04 1.41 1.42 2vbiE1 LYS 518 H 0.02 0.46 -0.18 -0.55 8.42 8.17 2vbiE1 LYS 518 HA 0.03 0.08 0.36 -0.75 4.32 4.03 2vbiE1 LYS 518 HB2 0.03 0.06 0.11 -0.04 1.87 2.02 2vbiE1 LYS 518 HB3 0.02 -0.03 0.02 -0.04 1.79 1.76 2vbiE1 LYS 518 HG2 0.04 0.00 0.02 -0.04 1.46 1.48 2vbiE1 LYS 518 HG3 0.05 0.08 0.06 -0.04 1.46 1.61 2vbiE1 LYS 518 HD2 0.05 -0.06 -0.08 -0.04 1.69 1.56 2vbiE1 LYS 518 HD3 0.03 -0.04 -0.02 -0.04 1.68 1.61 2vbiE1 LYS 518 HE2 0.03 -0.00 -0.01 -0.04 2.99 2.97 2vbiE1 LYS 518 HE3 0.04 0.04 -0.00 -0.04 2.99 3.02 2vbiE1 ALA 519 H 0.02 0.25 -0.47 -0.55 8.40 7.65 2vbiE1 ALA 519 HA 0.01 0.05 0.44 -0.75 4.34 4.09 2vbiE1 ALA 519 HB3 0.01 -0.01 0.08 -0.04 1.41 1.45 2vbiE1 ASN 520 H 0.02 0.37 -0.48 -0.55 8.53 7.88 2vbiE1 ASN 520 HA 0.02 -0.05 0.60 -0.75 4.76 4.57 2vbiE1 ASN 520 HB2 0.02 -0.02 0.04 -0.04 2.88 2.89 2vbiE1 ASN 520 HB3 0.02 0.13 0.18 -0.04 2.79 3.08 2vbiE1 ASN 520 HD21 0.07 0.21 -0.12 -0.04 7.03 7.14 2vbiE1 ASN 520 HD22 0.04 -0.01 -0.29 -0.04 7.74 7.43 2vbiE1 THR 521 H -0.01 0.15 0.21 -0.55 8.28 8.08 2vbiE1 THR 521 HA 0.02 0.24 0.33 -0.75 4.39 4.23 2vbiE1 THR 521 HB 0.00 0.01 0.12 -0.04 4.32 4.41 2vbiE1 THR 521 HG23 0.00 0.05 -0.06 -0.04 1.22 1.17 2vbiE1 ARG 522 H -0.01 0.02 -0.16 -0.55 8.46 7.76 2vbiE1 ARG 522 HA 0.01 0.38 0.88 -0.75 4.34 4.85 2vbiE1 ARG 522 HB2 -0.25 -0.06 0.05 -0.04 1.90 1.60 2vbiE1 ARG 522 HB3 -0.12 -0.01 0.17 -0.04 1.80 1.80 2vbiE1 ARG 522 HG2 -0.05 0.14 -0.05 -0.04 1.67 1.67 2vbiE1 ARG 522 HG3 -0.09 -0.08 -0.21 -0.04 1.67 1.24 2vbiE1 ARG 522 HD2 -0.11 -0.02 -0.01 -0.04 3.22 3.04 2vbiE1 ARG 522 HD3 -0.32 -0.05 -0.00 -0.04 3.22 2.81 2vbiE1 GLY 523 H 0.05 0.36 -0.30 -0.55 8.43 8.00 2vbiE1 GLY 523 HA2 0.09 0.07 0.12 -0.51 4.01 3.78 2vbiE1 GLY 523 HA3 0.11 -0.08 -0.07 -0.51 4.01 3.46 2vbiE1 PRO 524 HA 0.05 0.23 0.60 -0.51 4.44 4.81 2vbiE1 PRO 524 HB2 0.08 -0.10 -0.03 -0.04 2.28 2.19 2vbiE1 PRO 524 HB3 0.08 0.02 0.14 -0.04 2.02 2.22 2vbiE1 PRO 524 HG2 0.10 -0.12 0.02 -0.04 2.03 1.99 2vbiE1 PRO 524 HG3 0.08 -0.00 -0.01 -0.04 2.03 2.06 2vbiE1 PRO 524 HD2 0.09 -0.04 0.05 -0.04 3.68 3.74 2vbiE1 PRO 524 HD3 0.09 0.27 -0.21 -0.04 3.65 3.76 2vbiE1 THR 525 H 0.01 0.67 0.34 -0.55 8.28 8.75 2vbiE1 THR 525 HA 0.01 0.18 1.03 -0.75 4.39 4.86 2vbiE1 THR 525 HB -0.06 -0.08 0.17 -0.04 4.32 4.31 2vbiE1 THR 525 HG23 -0.04 -0.04 -0.16 -0.04 1.22 0.94 2vbiE1 LEU 526 H 0.00 0.63 0.29 -0.55 8.37 8.75 2vbiE1 LEU 526 HA -0.09 0.22 1.00 -0.75 4.35 4.73 2vbiE1 LEU 526 HB2 0.04 0.02 0.04 -0.04 1.64 1.70 2vbiE1 LEU 526 HB3 0.01 -0.03 0.20 -0.04 1.64 1.78 2vbiE1 LEU 526 HG -0.14 0.06 -0.07 -0.04 1.64 1.45 2vbiE1 LEU 526 HD13 -0.18 -0.01 -0.09 -0.04 0.93 0.61 2vbiE1 LEU 526 HD23 -0.07 -0.03 -0.41 -0.04 0.89 0.34 2vbiE1 ILE 527 H -0.21 0.80 0.34 -0.55 8.25 8.62 2vbiE1 ILE 527 HA -0.07 0.23 0.97 -0.75 4.18 4.56 2vbiE1 ILE 527 HB -0.31 -0.02 0.14 -0.04 1.89 1.66 2vbiE1 ILE 527 HG12 -0.10 -0.01 -0.18 -0.04 1.49 1.16 2vbiE1 ILE 527 HG13 -0.22 0.01 -0.40 -0.04 1.21 0.56 2vbiE1 ILE 527 HG23 0.01 -0.03 -0.27 -0.04 0.93 0.60 2vbiE1 ILE 527 HD13 -0.35 0.03 -0.23 -0.04 0.88 0.30 2vbiE1 GLU 528 H -0.02 0.73 0.27 -0.55 8.60 9.03 2vbiE1 GLU 528 HA -0.08 0.10 0.78 -0.75 4.29 4.34 2vbiE1 GLU 528 HB2 0.04 -0.08 0.08 -0.04 2.09 2.09 2vbiE1 GLU 528 HB3 0.03 -0.01 0.28 -0.04 1.99 2.26 2vbiE1 GLU 528 HG2 0.03 0.09 -0.17 -0.04 2.34 2.25 2vbiE1 GLU 528 HG3 0.03 -0.03 0.03 -0.04 2.34 2.32 2vbiE1 CYS 529 H -0.02 0.71 0.38 -0.55 8.50 9.02 2vbiE1 CYS 529 HA 0.01 0.21 0.87 -0.75 4.58 4.91 2vbiE1 CYS 529 HB2 0.02 -0.09 0.10 -0.04 2.97 2.97 2vbiE1 CYS 529 HB3 0.02 -0.01 -0.10 -0.04 2.97 2.84 2vbiE1 GLN 530 H 0.00 0.60 0.31 -0.55 8.47 8.84 2vbiE1 GLN 530 HA -0.00 0.23 0.99 -0.75 4.36 4.82 2vbiE1 GLN 530 HB2 0.01 0.04 0.25 -0.04 2.15 2.41 2vbiE1 GLN 530 HB3 0.01 0.01 0.05 -0.04 2.02 2.05 2vbiE1 GLN 530 HG2 0.03 0.03 0.06 -0.04 2.40 2.48 2vbiE1 GLN 530 HG3 0.03 -0.08 -0.10 -0.04 2.39 2.20 2vbiE1 GLN 530 HE21 0.04 0.00 0.01 -0.04 6.97 6.98 2vbiE1 GLN 530 HE22 0.07 -0.07 0.01 -0.04 7.69 7.66 2vbiE1 ILE 531 H -0.01 0.40 0.18 -0.55 8.25 8.27 2vbiE1 ILE 531 HA -0.00 0.30 0.76 -0.75 4.18 4.48 2vbiE1 ILE 531 HB -0.01 -0.05 0.08 -0.04 1.89 1.87 2vbiE1 ILE 531 HG12 -0.01 -0.03 -0.22 -0.04 1.49 1.19 2vbiE1 ILE 531 HG13 -0.01 0.02 -0.29 -0.04 1.21 0.88 2vbiE1 ILE 531 HG23 -0.01 0.01 -0.59 -0.04 0.93 0.29 2vbiE1 ILE 531 HD13 -0.01 0.00 -0.07 -0.04 0.88 0.76 2vbiE1 ASP 532 H -0.00 0.17 0.17 -0.55 8.40 8.19 2vbiE1 ASP 532 HA 0.00 0.16 0.63 -0.75 4.63 4.67 2vbiE1 ASP 532 HB2 0.00 0.10 0.14 -0.04 2.71 2.91 2vbiE1 ASP 532 HB3 -0.00 -0.03 0.12 -0.04 2.70 2.74 2vbiE1 ARG 533 H 0.01 0.20 0.20 -0.55 8.46 8.32 2vbiE1 ARG 533 HA -0.00 0.07 0.35 -0.75 4.34 4.00 2vbiE1 ARG 533 HB2 0.03 0.30 0.19 -0.04 1.90 2.38 2vbiE1 ARG 533 HB3 0.03 -0.05 0.16 -0.04 1.80 1.89 2vbiE1 ARG 533 HG2 0.03 0.01 -0.23 -0.04 1.67 1.44 2vbiE1 ARG 533 HG3 0.01 -0.09 -0.01 -0.04 1.67 1.54 2vbiE1 ARG 533 HD2 0.12 -0.02 -0.07 -0.04 3.22 3.21 2vbiE1 ARG 533 HD3 0.06 0.06 -0.04 -0.04 3.22 3.26 2vbiE1 THR 534 H 0.00 0.01 -0.46 -0.55 8.28 7.29 2vbiE1 THR 534 HA -0.00 0.15 0.42 -0.75 4.39 4.21 2vbiE1 THR 534 HB 0.00 -0.07 0.04 -0.04 4.32 4.25 2vbiE1 THR 534 HG23 -0.00 -0.00 -0.15 -0.04 1.22 1.03 2vbiE1 ASP 535 H -0.01 0.51 -0.43 -0.55 8.40 7.93 2vbiE1 ASP 535 HA -0.01 0.18 0.39 -0.75 4.63 4.44 2vbiE1 ASP 535 HB2 -0.00 -0.04 0.06 -0.04 2.71 2.69 2vbiE1 ASP 535 HB3 -0.01 0.14 0.23 -0.04 2.70 3.02 2vbiE1 CYS 536 H -0.02 0.41 -0.00 -0.55 8.50 8.34 2vbiE1 CYS 536 HA -0.02 0.11 0.88 -0.75 4.58 4.80 2vbiE1 CYS 536 HB2 -0.05 -0.16 0.10 -0.04 2.97 2.82 2vbiE1 CYS 536 HB3 -0.03 -0.00 -0.09 -0.04 2.97 2.81 2vbiE1 THR 537 H -0.05 0.04 0.13 -0.55 8.28 7.86 2vbiE1 THR 537 HA -0.03 0.14 0.43 -0.75 4.39 4.18 2vbiE1 THR 537 HB -0.02 0.03 0.11 -0.04 4.32 4.39 2vbiE1 THR 537 HG23 0.05 0.04 -0.03 -0.04 1.22 1.24 2vbiE1 ASP 538 H -0.04 0.23 0.21 -0.55 8.40 8.25 2vbiE1 ASP 538 HA -0.07 0.13 0.60 -0.75 4.63 4.53 2vbiE1 ASP 538 HB2 -0.03 -0.00 0.16 -0.04 2.71 2.79 2vbiE1 ASP 538 HB3 -0.04 0.08 0.02 -0.04 2.70 2.72 2vbiE1 MET 539 H -0.07 0.08 -0.11 -0.55 8.47 7.83 2vbiE1 MET 539 HA -0.09 0.16 0.39 -0.75 4.52 4.22 2vbiE1 MET 539 HB2 0.01 0.04 0.11 -0.04 2.15 2.27 2vbiE1 MET 539 HB3 -0.04 -0.11 0.03 -0.04 2.03 1.87 2vbiE1 MET 539 HG2 0.08 -0.06 -0.04 -0.04 2.63 2.58 2vbiE1 MET 539 HG3 0.02 0.13 0.08 -0.04 2.56 2.75 2vbiE1 MET 539 HE3 0.09 0.01 -0.02 -0.04 2.10 2.14 2vbiE1 LEU 540 H -0.46 0.04 -0.32 -0.55 8.37 7.09 2vbiE1 LEU 540 HA -1.44 0.05 0.35 -0.75 4.35 2.55 2vbiE1 LEU 540 HB2 -0.87 -0.11 0.09 -0.04 1.64 0.71 2vbiE1 LEU 540 HB3 -0.33 0.18 0.08 -0.04 1.64 1.53 2vbiE1 LEU 540 HG -0.20 0.04 -0.01 -0.04 1.64 1.42 2vbiE1 LEU 540 HD13 -0.05 -0.06 -0.03 -0.04 0.93 0.75 2vbiE1 LEU 540 HD23 -0.08 0.04 -0.27 -0.04 0.89 0.54 2vbiE1 VAL 541 H -0.18 0.28 -0.22 -0.55 8.24 7.57 2vbiE1 VAL 541 HA -0.07 0.04 0.37 -0.75 4.13 3.72 2vbiE1 VAL 541 HB -0.07 0.07 0.17 -0.04 2.12 2.25 2vbiE1 VAL 541 HG13 -0.05 0.02 -0.06 -0.04 0.97 0.85 2vbiE1 VAL 541 HG23 -0.07 0.02 0.02 -0.04 0.95 0.88 2vbiE1 GLN 542 H -0.10 0.57 -0.05 -0.55 8.47 8.35 2vbiE1 GLN 542 HA -0.07 0.04 0.41 -0.75 4.36 3.99 2vbiE1 GLN 542 HB2 -0.07 0.07 0.14 -0.04 2.15 2.25 2vbiE1 GLN 542 HB3 -0.06 -0.00 -0.09 -0.04 2.02 1.83 2vbiE1 GLN 542 HG2 -0.05 -0.01 0.03 -0.04 2.40 2.33 2vbiE1 GLN 542 HG3 -0.05 -0.02 0.02 -0.04 2.39 2.30 2vbiE1 GLN 542 HE21 -0.02 0.11 0.01 -0.04 6.97 7.02 2vbiE1 GLN 542 HE22 -0.03 -0.05 -0.02 -0.04 7.69 7.55 2vbiE1 TRP 543 H -0.01 0.61 -0.02 -0.55 7.97 8.00 2vbiE1 TRP 543 HA -0.27 0.01 0.41 -0.75 4.62 4.02 2vbiE1 TRP 543 HB2 -0.48 0.02 0.11 -0.04 3.23 2.84 2vbiE1 TRP 543 HB3 -0.35 0.03 0.16 -0.04 3.23 3.03 2vbiE1 TRP 543 HD1 -0.95 0.03 0.05 -0.04 7.22 6.30 2vbiE1 TRP 543 HE1 0.11 0.32 0.14 -0.04 10.20 10.73 2vbiE1 TRP 543 HE3 -0.08 0.10 -0.02 -0.04 7.59 7.55 2vbiE1 TRP 543 HZ2 -0.86 -0.05 0.03 -0.04 7.44 6.52 2vbiE1 TRP 543 HZ3 -0.02 -0.03 -0.02 -0.04 7.13 7.03 2vbiE1 TRP 543 HH2 -0.66 -0.01 -0.02 -0.04 7.19 6.46 2vbiE1 GLY 544 H 0.11 0.70 -0.12 -0.55 8.43 8.57 2vbiE1 GLY 544 HA2 -0.52 -0.07 0.36 -0.51 4.01 3.26 2vbiE1 GLY 544 HA3 -0.03 0.09 0.32 -0.51 4.01 3.88 2vbiE1 ARG 545 H -0.12 0.62 -0.07 -0.55 8.46 8.34 2vbiE1 ARG 545 HA -0.09 0.03 0.41 -0.75 4.34 3.94 2vbiE1 ARG 545 HB2 -0.09 0.12 0.17 -0.04 1.90 2.07 2vbiE1 ARG 545 HB3 -0.07 -0.04 0.03 -0.04 1.80 1.68 2vbiE1 ARG 545 HG2 -0.04 -0.00 0.10 -0.04 1.67 1.68 2vbiE1 ARG 545 HG3 -0.06 0.10 0.12 -0.04 1.67 1.79 2vbiE1 ARG 545 HD2 -0.05 -0.01 -0.01 -0.04 3.22 3.11 2vbiE1 ARG 545 HD3 -0.04 -0.03 0.02 -0.04 3.22 3.13 2vbiE1 LYS 546 H -0.22 0.38 -0.22 -0.55 8.42 7.81 2vbiE1 LYS 546 HA -0.12 0.06 0.44 -0.75 4.32 3.95 2vbiE1 LYS 546 HB2 -0.18 0.10 0.14 -0.04 1.87 1.89 2vbiE1 LYS 546 HB3 -0.26 0.00 -0.03 -0.04 1.79 1.46 2vbiE1 LYS 546 HG2 -0.08 -0.03 0.03 -0.04 1.46 1.35 2vbiE1 LYS 546 HG3 -0.09 -0.03 0.02 -0.04 1.46 1.33 2vbiE1 LYS 546 HD2 -0.08 0.16 -0.02 -0.04 1.69 1.71 2vbiE1 LYS 546 HD3 -0.09 -0.08 0.06 -0.04 1.68 1.52 2vbiE1 LYS 546 HE2 -0.03 -0.04 0.02 -0.04 2.99 2.90 2vbiE1 LYS 546 HE3 -0.01 -0.01 0.02 -0.04 2.99 2.95 2vbiE1 VAL 547 H -0.54 0.50 -0.00 -0.55 8.24 7.64 2vbiE1 VAL 547 HA -0.33 0.01 0.42 -0.75 4.13 3.47 2vbiE1 VAL 547 HB -1.08 0.07 0.16 -0.04 2.12 1.23 2vbiE1 VAL 547 HG13 -0.31 -0.02 -0.10 -0.04 0.97 0.49 2vbiE1 VAL 547 HG23 -1.12 0.01 0.09 -0.04 0.95 -0.11 2vbiE1 ALA 548 H -0.27 0.73 -0.04 -0.55 8.40 8.28 2vbiE1 ALA 548 HA -0.11 -0.02 0.38 -0.75 4.34 3.83 2vbiE1 ALA 548 HB3 -0.08 0.01 0.05 -0.04 1.41 1.35 2vbiE1 SER 549 H -0.10 0.46 -0.20 -0.55 8.46 8.08 2vbiE1 SER 549 HA -0.03 0.04 0.48 -0.75 4.49 4.23 2vbiE1 SER 549 HB2 -0.02 -0.07 0.10 -0.04 3.95 3.92 2vbiE1 SER 549 HB3 -0.04 0.05 0.15 -0.04 3.93 4.05 2vbiE1 THR 550 H -0.08 0.39 -0.28 -0.55 8.28 7.76 2vbiE1 THR 550 HA 0.03 0.07 0.66 -0.75 4.39 4.39 2vbiE1 THR 550 HB -0.08 0.03 0.23 -0.04 4.32 4.45 2vbiE1 THR 550 HG23 0.16 -0.04 -0.06 -0.04 1.22 1.25 2vbiE1 ASN 551 H -0.05 0.55 0.03 -0.55 8.53 8.51 2vbiE1 ASN 551 HA 0.03 0.05 0.54 -0.75 4.76 4.62 2vbiE1 ASN 551 HB2 -0.04 0.07 0.11 -0.04 2.88 2.98 2vbiE1 ASN 551 HB3 -0.02 -0.05 0.07 -0.04 2.79 2.75 2vbiE1 ASN 551 HD21 0.06 -0.10 -0.04 -0.04 7.03 6.91 2vbiE1 ASN 551 HD22 0.01 -0.01 -0.04 -0.04 7.74 7.65 2vbiE1 ALA 552 H -0.02 0.24 -0.54 -0.55 8.40 7.53 2vbiE1 ALA 552 HA -0.02 0.13 0.75 -0.75 4.34 4.45 2vbiE1 ALA 552 HB3 -0.02 -0.02 0.07 -0.04 1.41 1.39 2vbiE1 ARG 553 H 0.02 0.25 -0.48 -0.55 8.46 7.70 2vbiE1 ARG 553 HA 0.02 -0.06 0.41 -0.75 4.34 3.95 2vbiE1 ARG 553 HB2 0.04 -0.03 0.17 -0.04 1.90 2.04 2vbiE1 ARG 553 HB3 0.05 0.44 0.22 -0.04 1.80 2.47 2vbiE1 ARG 553 HG2 0.03 -0.05 -0.34 -0.04 1.67 1.26 2vbiE1 ARG 553 HG3 0.03 -0.11 -0.07 -0.04 1.67 1.48 2vbiE1 ARG 553 HD2 0.04 -0.05 -0.06 -0.04 3.22 3.11 2vbiE1 ARG 553 HD3 0.07 -0.01 0.01 -0.04 3.22 3.25 2vbiE1 LYS 554 H 0.01 0.05 0.20 -0.55 8.42 8.13 2vbiE1 LYS 554 HA 0.01 0.23 0.78 -0.75 4.32 4.59 2vbiE1 LYS 554 HB2 0.01 -0.02 0.15 -0.04 1.87 1.97 2vbiE1 LYS 554 HB3 0.01 -0.03 -0.00 -0.04 1.79 1.72 2vbiE1 LYS 554 HG2 0.01 -0.06 0.04 -0.04 1.46 1.40 2vbiE1 LYS 554 HG3 0.00 0.00 0.09 -0.04 1.46 1.51 2vbiE1 LYS 554 HD2 0.01 0.20 -0.06 -0.04 1.69 1.79 2vbiE1 LYS 554 HD3 0.01 -0.07 0.02 -0.04 1.68 1.60 2vbiE1 LYS 554 HE2 0.00 0.02 -0.02 -0.04 2.99 2.95 2vbiE1 LYS 554 HE3 0.00 0.04 -0.00 -0.04 2.99 3.00 2vbiE1 THR 555 H 0.01 0.10 -0.07 -0.55 8.28 7.78 2vbiE1 THR 555 HA 0.01 0.29 0.77 -0.75 4.39 4.71 2vbiE1 THR 555 HB 0.01 -0.02 0.04 -0.04 4.32 4.31 2vbiE1 THR 555 HG23 0.00 0.01 0.02 -0.04 1.22 1.21