============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 55 rings ring int. center anis. iso. HIS 10 0.900 -12.939 -9.296 51.437 -99.200 -91.000 TYR 24 0.840 0.848 -6.970 55.956 -99.200 -91.000 PHE 47 1.000 1.709 12.648 45.006 -99.200 -91.000 TYR 52 0.840 1.773 2.399 56.721 -99.200 -91.000 PHE 54 1.000 8.721 -0.422 60.131 -99.200 -91.000 TRP 92 1.040 13.872 15.162 34.609 -99.200 -91.000 TRP6 92 1.020 15.103 16.840 33.501 -99.200 -91.000 TRP 116 1.040 14.538 8.784 38.602 -99.200 -91.000 TRP6 116 1.020 13.465 10.858 38.226 -99.200 -91.000 PHE 120 1.000 13.206 -2.083 32.878 -99.200 -91.000 PHE 122 1.000 16.818 -0.583 29.758 -99.200 -91.000 PHE 128 1.000 21.161 3.264 17.358 -99.200 -91.000 TRP 130 1.040 14.097 2.421 22.828 -99.200 -91.000 TRP6 130 1.020 12.227 3.823 23.177 -99.200 -91.000 PHE 133 1.000 14.583 8.090 27.423 -99.200 -91.000 TYR 153 0.840 11.950 20.468 48.298 -99.200 -91.000 HIS 159 0.900 19.314 10.395 40.198 -99.200 -91.000 HIS 168 0.900 36.246 4.323 33.259 -99.200 -91.000 TRP 173 1.040 29.004 1.606 32.898 -99.200 -91.000 TRP6 173 1.020 30.027 -0.440 33.419 -99.200 -91.000 TYR 185 0.840 28.355 11.942 41.970 -99.200 -91.000 HIS 189 0.900 26.196 -0.391 43.880 -99.200 -91.000 HIS 193 0.900 24.411 -10.366 41.676 -99.200 -91.000 PHE 200 1.000 11.676 -7.631 33.510 -99.200 -91.000 TYR 205 0.840 19.165 -2.174 25.934 -99.200 -91.000 TYR 206 0.840 22.072 -2.107 32.282 -99.200 -91.000 HIS 213 0.900 28.982 -6.292 47.034 -99.200 -91.000 PHE 216 1.000 26.876 5.724 48.147 -99.200 -91.000 PHE 220 1.000 19.416 13.661 56.942 -99.200 -91.000 TYR 229 0.840 18.667 -11.241 37.750 -99.200 -91.000 HIS 232 0.900 14.993 -12.234 41.731 -99.200 -91.000 HIS 233 0.900 22.072 -13.174 42.045 -99.200 -91.000 TRP 237 1.040 19.057 -8.616 49.291 -99.200 -91.000 TRP6 237 1.020 17.922 -6.545 49.343 -99.200 -91.000 PHE 240 1.000 24.925 -3.290 48.587 -99.200 -91.000 PHE 249 1.000 16.924 4.143 50.706 -99.200 -91.000 TRP 263 1.040 7.237 -6.212 46.011 -99.200 -91.000 TRP6 263 1.020 9.169 -5.248 45.038 -99.200 -91.000 TYR 276 0.840 20.570 -4.778 55.342 -99.200 -91.000 PHE 277 1.000 14.935 0.124 59.950 -99.200 -91.000 PHE 289 1.000 8.454 0.024 25.571 -99.200 -91.000 TYR 293 0.840 8.317 -6.117 23.516 -99.200 -91.000 HIS 302 0.900 4.282 -8.951 23.819 -99.200 -91.000 PHE 305 1.000 8.321 -4.673 29.906 -99.200 -91.000 PHE 308 1.000 7.333 -2.320 34.335 -99.200 -91.000 TYR 309 0.840 5.008 -6.831 40.901 -99.200 -91.000 TYR 313 0.840 7.595 -5.000 50.849 -99.200 -91.000 PHE 348 1.000 16.090 -11.417 71.500 -99.200 -91.000 TRP 349 1.040 16.408 -13.128 66.288 -99.200 -91.000 TRP6 349 1.020 14.893 -11.702 65.171 -99.200 -91.000 PHE 351 1.000 19.394 -13.649 62.655 -99.200 -91.000 TYR 360 0.840 28.777 -19.992 55.299 -99.200 -91.000 PHE 364 1.000 29.834 -18.588 49.628 -99.200 -91.000 HIS 370 0.900 38.428 -22.971 35.463 -99.200 -91.000 PHE 372 1.000 32.472 -27.096 43.801 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2vhiE1 LYS 7 HA 0.03 -0.01 0.12 -0.75 4.32 3.70 2vhiE1 LYS 7 HB2 0.04 -0.07 0.13 -0.04 1.87 1.93 2vhiE1 LYS 7 HB3 0.03 -0.02 0.09 -0.04 1.79 1.85 2vhiE1 LYS 7 HG2 0.02 0.02 0.01 -0.04 1.46 1.48 2vhiE1 LYS 7 HG3 0.03 0.03 0.01 -0.04 1.46 1.48 2vhiE1 LYS 7 HD2 0.03 -0.02 -0.01 -0.04 1.69 1.65 2vhiE1 LYS 7 HD3 0.03 -0.02 -0.01 -0.04 1.68 1.64 2vhiE1 LYS 7 HE2 0.03 0.02 -0.02 -0.04 2.99 2.98 2vhiE1 LYS 7 HE3 0.02 0.01 -0.01 -0.04 2.99 2.97 2vhiE1 ASN 8 H 0.03 0.23 -0.02 -0.55 8.53 8.23 2vhiE1 ASN 8 HA 0.06 0.08 0.41 -0.75 4.76 4.56 2vhiE1 ASN 8 HB2 0.06 0.18 -0.09 -0.04 2.88 2.98 2vhiE1 ASN 8 HB3 0.05 -0.04 0.01 -0.04 2.79 2.77 2vhiE1 ASN 8 HD21 0.10 0.29 -0.16 -0.04 7.03 7.22 2vhiE1 ASN 8 HD22 0.08 -0.04 -0.22 -0.04 7.74 7.53 2vhiE1 LEU 9 H 0.06 0.25 0.10 -0.55 8.37 8.24 2vhiE1 LEU 9 HA 0.03 0.07 0.12 -0.75 4.35 3.82 2vhiE1 LEU 9 HB2 0.04 0.04 0.09 -0.04 1.64 1.76 2vhiE1 LEU 9 HB3 0.08 0.03 0.09 -0.04 1.64 1.80 2vhiE1 LEU 9 HG 0.08 0.00 -0.15 -0.04 1.64 1.53 2vhiE1 LEU 9 HD13 0.00 -0.00 0.00 -0.04 0.93 0.89 2vhiE1 LEU 9 HD23 0.00 0.03 -0.03 -0.04 0.89 0.84 2vhiE1 ASN 10 H 0.10 0.12 -0.05 -0.55 8.53 8.16 2vhiE1 ASN 10 HA 0.01 0.11 0.48 -0.75 4.76 4.61 2vhiE1 ASN 10 HB2 0.03 0.00 0.14 -0.04 2.88 3.01 2vhiE1 ASN 10 HB3 0.03 0.01 0.06 -0.04 2.79 2.85 2vhiE1 ASN 10 HD21 -0.06 -0.00 -0.05 -0.04 7.03 6.88 2vhiE1 ASN 10 HD22 0.00 0.01 -0.13 -0.04 7.74 7.59 2vhiE1 ASP 11 H 0.04 0.14 -0.20 -0.55 8.40 7.83 2vhiE1 ASP 11 HA 0.03 0.07 0.39 -0.75 4.63 4.36 2vhiE1 ASP 11 HB2 0.04 0.11 0.05 -0.04 2.71 2.87 2vhiE1 ASP 11 HB3 0.04 0.03 0.02 -0.04 2.70 2.74 2vhiE1 CYS 12 H 0.04 0.40 -0.19 -0.55 8.50 8.19 2vhiE1 CYS 12 HA 0.10 0.07 0.46 -0.75 4.58 4.46 2vhiE1 CYS 12 HB2 0.01 -0.01 0.01 -0.04 2.97 2.94 2vhiE1 CYS 12 HB3 -0.00 0.10 0.09 -0.04 2.97 3.11 2vhiE1 LEU 13 H 0.03 0.47 -0.13 -0.55 8.37 8.20 2vhiE1 LEU 13 HA 0.02 0.07 0.50 -0.75 4.35 4.19 2vhiE1 LEU 13 HB2 0.02 0.09 0.15 -0.04 1.64 1.86 2vhiE1 LEU 13 HB3 0.03 -0.04 0.04 -0.04 1.64 1.62 2vhiE1 LEU 13 HG 0.03 0.10 0.03 -0.04 1.64 1.75 2vhiE1 LEU 13 HD13 0.09 -0.01 -0.05 -0.04 0.93 0.91 2vhiE1 LEU 13 HD23 -0.01 -0.01 -0.05 -0.04 0.89 0.79 2vhiE1 GLU 14 H 0.03 0.38 -0.22 -0.55 8.60 8.24 2vhiE1 GLU 14 HA 0.02 0.07 0.62 -0.75 4.29 4.24 2vhiE1 GLU 14 HB2 -0.01 0.01 0.11 -0.04 2.09 2.16 2vhiE1 GLU 14 HB3 0.02 0.09 0.11 -0.04 1.99 2.17 2vhiE1 GLU 14 HG2 0.00 0.01 0.06 -0.04 2.34 2.37 2vhiE1 GLU 14 HG3 -0.01 -0.03 0.09 -0.04 2.34 2.35 2vhiE1 LYS 15 H 0.12 0.21 -0.54 -0.55 8.42 7.66 2vhiE1 LYS 15 HA 0.01 0.08 0.60 -0.75 4.32 4.26 2vhiE1 LYS 15 HB2 0.09 0.25 0.15 -0.04 1.87 2.32 2vhiE1 LYS 15 HB3 0.33 0.10 0.08 -0.04 1.79 2.27 2vhiE1 LYS 15 HG2 -0.12 -0.03 0.10 -0.04 1.46 1.38 2vhiE1 LYS 15 HG3 -0.02 -0.04 0.09 -0.04 1.46 1.46 2vhiE1 LYS 15 HD2 0.14 -0.02 -0.02 -0.04 1.69 1.75 2vhiE1 LYS 15 HD3 0.03 -0.05 0.00 -0.04 1.68 1.62 2vhiE1 LYS 15 HE2 0.03 -0.04 -0.02 -0.04 2.99 2.91 2vhiE1 LYS 15 HE3 0.05 0.18 -0.04 -0.04 2.99 3.14 2vhiE1 HIS 16 H 0.14 0.08 -0.37 -0.55 8.41 7.72 2vhiE1 HIS 16 HA 0.00 0.16 0.86 -0.75 4.63 4.90 2vhiE1 HIS 16 HB2 0.01 0.07 0.01 -0.04 3.26 3.31 2vhiE1 HIS 16 HB3 0.00 -0.07 0.08 -0.04 3.20 3.17 2vhiE1 HIS 16 HD2 0.00 -0.06 0.01 -0.04 6.97 6.89 2vhiE1 HIS 16 HE1 0.01 -0.06 -0.03 -0.04 7.75 7.63 2vhiE1 LEU 17 H 0.06 0.15 -0.03 -0.55 8.37 8.01 2vhiE1 LEU 17 HA 0.04 0.23 1.05 -0.75 4.35 4.92 2vhiE1 LEU 17 HB2 0.04 0.26 0.16 -0.04 1.64 2.05 2vhiE1 LEU 17 HB3 0.02 -0.09 -0.04 -0.04 1.64 1.49 2vhiE1 LEU 17 HG 0.04 0.06 -0.03 -0.04 1.64 1.66 2vhiE1 LEU 17 HD13 0.05 -0.02 -0.10 -0.04 0.93 0.82 2vhiE1 LEU 17 HD23 0.02 -0.03 -0.10 -0.04 0.89 0.74 2vhiE1 PRO 18 HA 0.00 0.17 0.58 -0.51 4.44 4.68 2vhiE1 PRO 18 HB2 0.01 -0.17 0.08 -0.04 2.28 2.15 2vhiE1 PRO 18 HB3 0.00 0.09 0.15 -0.04 2.02 2.22 2vhiE1 PRO 18 HG2 0.01 -0.02 0.15 -0.04 2.03 2.13 2vhiE1 PRO 18 HG3 0.01 0.09 0.12 -0.04 2.03 2.21 2vhiE1 PRO 18 HD2 0.02 0.17 0.32 -0.04 3.68 4.15 2vhiE1 PRO 18 HD3 0.01 0.19 0.10 -0.04 3.65 3.91 2vhiE1 PRO 19 HA -0.00 0.13 0.33 -0.51 4.44 4.39 2vhiE1 PRO 19 HB2 -0.00 0.03 0.00 -0.04 2.28 2.27 2vhiE1 PRO 19 HB3 -0.01 0.08 0.15 -0.04 2.02 2.21 2vhiE1 PRO 19 HG2 -0.00 -0.00 0.12 -0.04 2.03 2.10 2vhiE1 PRO 19 HG3 -0.00 0.09 0.12 -0.04 2.03 2.19 2vhiE1 PRO 19 HD2 -0.00 0.06 0.27 -0.04 3.68 3.96 2vhiE1 PRO 19 HD3 -0.00 0.25 0.27 -0.04 3.65 4.12 2vhiE1 ASP 20 H 0.00 0.08 -0.31 -0.55 8.40 7.63 2vhiE1 ASP 20 HA -0.00 0.14 0.54 -0.75 4.63 4.55 2vhiE1 ASP 20 HB2 -0.00 0.02 0.06 -0.04 2.71 2.75 2vhiE1 ASP 20 HB3 0.00 -0.02 0.04 -0.04 2.70 2.68 2vhiE1 GLU 21 H 0.01 0.25 -0.07 -0.55 8.60 8.24 2vhiE1 GLU 21 HA 0.01 0.12 0.68 -0.75 4.29 4.34 2vhiE1 GLU 21 HB2 0.01 0.10 0.12 -0.04 2.09 2.28 2vhiE1 GLU 21 HB3 0.01 0.01 0.02 -0.04 1.99 1.99 2vhiE1 GLU 21 HG2 0.01 -0.09 0.03 -0.04 2.34 2.25 2vhiE1 GLU 21 HG3 0.01 0.04 0.06 -0.04 2.34 2.40 2vhiE1 LEU 22 H 0.01 0.61 -0.07 -0.55 8.37 8.37 2vhiE1 LEU 22 HA 0.01 0.01 0.46 -0.75 4.35 4.08 2vhiE1 LEU 22 HB2 0.01 0.07 0.00 -0.04 1.64 1.68 2vhiE1 LEU 22 HB3 -0.00 0.03 -0.01 -0.04 1.64 1.62 2vhiE1 LEU 22 HG -0.02 0.02 -0.22 -0.04 1.64 1.38 2vhiE1 LEU 22 HD13 -0.01 0.04 -0.13 -0.04 0.93 0.79 2vhiE1 LEU 22 HD23 -0.01 0.01 0.03 -0.04 0.89 0.88 2vhiE1 LYS 23 H -0.00 0.29 -0.40 -0.55 8.42 7.76 2vhiE1 LYS 23 HA -0.01 0.29 0.55 -0.75 4.32 4.40 2vhiE1 LYS 23 HB2 -0.00 0.10 0.19 -0.04 1.87 2.11 2vhiE1 LYS 23 HB3 0.00 0.13 0.10 -0.04 1.79 1.98 2vhiE1 LYS 23 HG2 0.00 -0.03 -0.01 -0.04 1.46 1.38 2vhiE1 LYS 23 HG3 -0.01 -0.02 0.01 -0.04 1.46 1.41 2vhiE1 LYS 23 HD2 -0.00 -0.04 0.01 -0.04 1.69 1.62 2vhiE1 LYS 23 HD3 0.00 0.04 -0.01 -0.04 1.68 1.67 2vhiE1 LYS 23 HE2 -0.00 -0.01 -0.02 -0.04 2.99 2.92 2vhiE1 LYS 23 HE3 0.00 -0.01 -0.03 -0.04 2.99 2.92 2vhiE1 GLU 24 H 0.01 0.24 -0.40 -0.55 8.60 7.89 2vhiE1 GLU 24 HA 0.02 0.10 0.57 -0.75 4.29 4.23 2vhiE1 GLU 24 HB2 0.01 0.04 0.13 -0.04 2.09 2.23 2vhiE1 GLU 24 HB3 0.01 0.06 0.12 -0.04 1.99 2.14 2vhiE1 GLU 24 HG2 0.01 -0.03 0.00 -0.04 2.34 2.28 2vhiE1 GLU 24 HG3 0.02 -0.00 -0.01 -0.04 2.34 2.30 2vhiE1 VAL 25 H 0.02 0.53 0.06 -0.55 8.24 8.30 2vhiE1 VAL 25 HA 0.03 0.05 0.53 -0.75 4.13 3.98 2vhiE1 VAL 25 HB 0.03 0.04 0.15 -0.04 2.12 2.29 2vhiE1 VAL 25 HG13 0.05 -0.01 -0.07 -0.04 0.97 0.90 2vhiE1 VAL 25 HG23 0.02 0.03 0.01 -0.04 0.95 0.97 2vhiE1 LYS 26 H 0.02 0.61 -0.11 -0.55 8.42 8.38 2vhiE1 LYS 26 HA 0.15 -0.09 0.51 -0.75 4.32 4.13 2vhiE1 LYS 26 HB2 -0.02 0.27 0.17 -0.04 1.87 2.26 2vhiE1 LYS 26 HB3 -0.04 0.08 -0.14 -0.04 1.79 1.66 2vhiE1 LYS 26 HG2 -0.30 -0.10 0.03 -0.04 1.46 1.05 2vhiE1 LYS 26 HG3 -0.10 0.01 0.02 -0.04 1.46 1.36 2vhiE1 LYS 26 HD2 -0.12 0.00 -0.03 -0.04 1.69 1.50 2vhiE1 LYS 26 HD3 -0.13 0.02 -0.23 -0.04 1.68 1.29 2vhiE1 LYS 26 HE2 -0.41 -0.04 -0.05 -0.04 2.99 2.45 2vhiE1 LYS 26 HE3 -0.58 -0.01 -0.00 -0.04 2.99 2.35 2vhiE1 ARG 27 H 0.04 0.12 -0.50 -0.55 8.46 7.56 2vhiE1 ARG 27 HA 0.05 0.12 0.11 -0.75 4.34 3.87 2vhiE1 ARG 27 HB2 0.02 0.11 0.14 -0.04 1.90 2.13 2vhiE1 ARG 27 HB3 0.03 0.06 0.02 -0.04 1.80 1.87 2vhiE1 ARG 27 HG2 0.04 0.07 -0.10 -0.04 1.67 1.64 2vhiE1 ARG 27 HG3 0.03 -0.11 -0.14 -0.04 1.67 1.40 2vhiE1 ARG 27 HD2 0.02 -0.09 -0.04 -0.04 3.22 3.07 2vhiE1 ARG 27 HD3 0.02 -0.02 -0.02 -0.04 3.22 3.16 2vhiE1 ILE 28 H 0.05 0.20 -0.27 -0.55 8.25 7.68 2vhiE1 ILE 28 HA 0.03 0.17 0.67 -0.75 4.18 4.30 2vhiE1 ILE 28 HB 0.01 -0.05 0.06 -0.04 1.89 1.87 2vhiE1 ILE 28 HG12 0.02 -0.10 0.03 -0.04 1.49 1.39 2vhiE1 ILE 28 HG13 0.03 0.15 0.17 -0.04 1.21 1.51 2vhiE1 ILE 28 HG23 0.02 0.02 -0.02 -0.04 0.93 0.90 2vhiE1 ILE 28 HD13 -0.00 -0.02 -0.20 -0.04 0.88 0.62 2vhiE1 LEU 29 H 0.09 0.40 -0.03 -0.55 8.37 8.28 2vhiE1 LEU 29 HA -0.08 0.05 0.60 -0.75 4.35 4.16 2vhiE1 LEU 29 HB2 0.21 0.04 0.15 -0.04 1.64 2.00 2vhiE1 LEU 29 HB3 -0.23 -0.09 -0.03 -0.04 1.64 1.25 2vhiE1 LEU 29 HG 0.02 0.03 0.03 -0.04 1.64 1.68 2vhiE1 LEU 29 HD13 0.05 -0.04 -0.04 -0.04 0.93 0.85 2vhiE1 LEU 29 HD23 -0.07 0.00 -0.03 -0.04 0.89 0.75 2vhiE1 TYR 30 H 0.39 0.24 0.04 -0.55 8.29 8.40 2vhiE1 TYR 30 HA -0.03 0.11 0.67 -0.75 4.56 4.55 2vhiE1 TYR 30 HB2 -0.02 0.15 0.11 -0.04 3.06 3.25 2vhiE1 TYR 30 HB3 -0.03 -0.03 0.20 -0.04 2.98 3.08 2vhiE1 TYR 30 HD2 -0.06 0.11 -0.08 -0.04 7.15 7.08 2vhiE1 TYR 30 HE2 -0.06 -0.08 -0.02 -0.04 6.85 6.65 2vhiE1 GLY 31 H 0.18 -0.12 0.25 -0.55 8.43 8.19 2vhiE1 GLY 31 HA2 0.09 0.36 0.52 -0.51 4.01 4.47 2vhiE1 GLY 31 HA3 0.12 -0.28 0.40 -0.51 4.01 3.74 2vhiE1 VAL 32 H 0.09 0.04 -0.08 -0.55 8.24 7.74 2vhiE1 VAL 32 HA 0.04 0.23 0.79 -0.75 4.13 4.44 2vhiE1 VAL 32 HB 0.00 -0.10 0.06 -0.04 2.12 2.05 2vhiE1 VAL 32 HG13 0.04 0.00 -0.10 -0.04 0.97 0.88 2vhiE1 VAL 32 HG23 0.01 -0.04 -0.11 -0.04 0.95 0.76 2vhiE1 GLU 33 H 0.01 0.07 0.11 -0.55 8.60 8.23 2vhiE1 GLU 33 HA 0.00 0.31 0.65 -0.75 4.29 4.50 2vhiE1 GLU 33 HB2 -0.00 -0.03 0.03 -0.04 2.09 2.04 2vhiE1 GLU 33 HB3 0.00 0.07 0.06 -0.04 1.99 2.09 2vhiE1 GLU 33 HG2 -0.00 -0.06 0.12 -0.04 2.34 2.35 2vhiE1 GLU 33 HG3 -0.00 -0.01 0.02 -0.04 2.34 2.30 2vhiE1 GLU 34 H -0.02 0.16 0.06 -0.55 8.60 8.26 2vhiE1 GLU 34 HA -0.05 0.12 0.38 -0.75 4.29 3.98 2vhiE1 GLU 34 HB2 -0.02 -0.00 0.11 -0.04 2.09 2.13 2vhiE1 GLU 34 HB3 -0.02 0.03 -0.08 -0.04 1.99 1.88 2vhiE1 GLU 34 HG2 -0.02 -0.09 0.01 -0.04 2.34 2.21 2vhiE1 GLU 34 HG3 -0.02 0.18 -0.29 -0.04 2.34 2.17 2vhiE1 ASP 35 H -0.06 0.12 0.06 -0.55 8.40 7.97 2vhiE1 ASP 35 HA -0.07 0.02 0.24 -0.75 4.63 4.06 2vhiE1 ASP 35 HB2 0.04 -0.01 0.10 -0.04 2.71 2.79 2vhiE1 ASP 35 HB3 0.11 0.04 -0.04 -0.04 2.70 2.77 2vhiE1 GLN 36 H -0.06 0.14 0.15 -0.55 8.47 8.15 2vhiE1 GLN 36 HA -0.01 0.14 0.87 -0.75 4.36 4.60 2vhiE1 GLN 36 HB2 -0.13 0.02 0.34 -0.04 2.15 2.33 2vhiE1 GLN 36 HB3 -0.06 0.03 0.22 -0.04 2.02 2.17 2vhiE1 GLN 36 HG2 -0.03 -0.00 0.07 -0.04 2.40 2.40 2vhiE1 GLN 36 HG3 -0.03 0.03 0.04 -0.04 2.39 2.39 2vhiE1 GLN 36 HE21 0.01 -0.16 0.01 -0.04 6.97 6.80 2vhiE1 GLN 36 HE22 -0.03 0.01 -0.04 -0.04 7.69 7.60 2vhiE1 THR 37 H 0.01 0.26 -0.03 -0.55 8.28 7.98 2vhiE1 THR 37 HA -0.05 0.15 0.54 -0.75 4.39 4.27 2vhiE1 THR 37 HB -0.05 -0.04 0.00 -0.04 4.32 4.19 2vhiE1 THR 37 HG23 -0.18 0.03 0.04 -0.04 1.22 1.07 2vhiE1 LEU 38 H -0.22 0.73 0.09 -0.55 8.37 8.43 2vhiE1 LEU 38 HA -0.06 0.12 0.68 -0.75 4.35 4.34 2vhiE1 LEU 38 HB2 -0.07 -0.08 -0.46 -0.04 1.64 0.99 2vhiE1 LEU 38 HB3 -0.09 -0.05 -0.20 -0.04 1.64 1.25 2vhiE1 LEU 38 HG -0.03 -0.02 -0.12 -0.04 1.64 1.43 2vhiE1 LEU 38 HD13 -0.02 0.05 -0.08 -0.04 0.93 0.85 2vhiE1 LEU 38 HD23 -0.04 -0.01 -0.08 -0.04 0.89 0.72 2vhiE1 GLU 39 H -0.05 0.15 0.02 -0.55 8.60 8.17 2vhiE1 GLU 39 HA -0.06 0.04 0.58 -0.75 4.29 4.09 2vhiE1 GLU 39 HB2 -0.04 -0.01 0.06 -0.04 2.09 2.06 2vhiE1 GLU 39 HB3 -0.04 0.01 0.08 -0.04 1.99 2.01 2vhiE1 GLU 39 HG2 -0.03 -0.02 -0.07 -0.04 2.34 2.18 2vhiE1 GLU 39 HG3 -0.04 0.07 -0.12 -0.04 2.34 2.22 2vhiE1 LEU 40 H -0.06 0.13 0.16 -0.55 8.37 8.05 2vhiE1 LEU 40 HA -0.05 0.27 0.75 -0.75 4.35 4.57 2vhiE1 LEU 40 HB2 -0.06 -0.05 0.08 -0.04 1.64 1.56 2vhiE1 LEU 40 HB3 -0.05 0.02 -0.02 -0.04 1.64 1.55 2vhiE1 LEU 40 HG -0.09 0.06 -0.19 -0.04 1.64 1.38 2vhiE1 LEU 40 HD13 -0.07 -0.02 -0.21 -0.04 0.93 0.59 2vhiE1 LEU 40 HD23 -0.05 0.03 -0.10 -0.04 0.89 0.73 2vhiE1 PRO 41 HA -0.03 -0.00 0.47 -0.51 4.44 4.36 2vhiE1 PRO 41 HB2 -0.04 -0.14 -0.03 -0.04 2.28 2.03 2vhiE1 PRO 41 HB3 -0.03 0.00 0.11 -0.04 2.02 2.06 2vhiE1 PRO 41 HG2 -0.04 0.29 0.24 -0.04 2.03 2.48 2vhiE1 PRO 41 HG3 -0.03 0.03 0.11 -0.04 2.03 2.10 2vhiE1 PRO 41 HD2 -0.04 0.10 0.26 -0.04 3.68 3.96 2vhiE1 PRO 41 HD3 -0.04 0.25 0.19 -0.04 3.65 4.01 2vhiE1 THR 42 H -0.03 0.16 0.20 -0.55 8.28 8.06 2vhiE1 THR 42 HA -0.04 0.15 0.42 -0.75 4.39 4.17 2vhiE1 THR 42 HB -0.03 0.06 0.14 -0.04 4.32 4.45 2vhiE1 THR 42 HG23 -0.02 -0.01 0.11 -0.04 1.22 1.27 2vhiE1 SER 43 H -0.03 0.11 -0.13 -0.55 8.46 7.87 2vhiE1 SER 43 HA -0.03 0.09 0.38 -0.75 4.49 4.19 2vhiE1 SER 43 HB2 -0.02 0.04 0.03 -0.04 3.95 3.97 2vhiE1 SER 43 HB3 -0.02 0.01 0.07 -0.04 3.93 3.95 2vhiE1 ALA 44 H -0.04 0.20 -0.44 -0.55 8.40 7.57 2vhiE1 ALA 44 HA -0.03 0.07 0.55 -0.75 4.34 4.18 2vhiE1 ALA 44 HB3 -0.04 0.06 -0.08 -0.04 1.41 1.31 2vhiE1 LYS 45 H -0.05 0.43 -0.10 -0.55 8.42 8.14 2vhiE1 LYS 45 HA -0.11 0.05 0.45 -0.75 4.32 3.96 2vhiE1 LYS 45 HB2 -0.06 0.12 0.11 -0.04 1.87 2.00 2vhiE1 LYS 45 HB3 -0.07 -0.02 0.01 -0.04 1.79 1.66 2vhiE1 LYS 45 HG2 -0.08 0.01 0.08 -0.04 1.46 1.42 2vhiE1 LYS 45 HG3 -0.06 0.03 0.00 -0.04 1.46 1.39 2vhiE1 LYS 45 HD2 -0.06 -0.03 0.04 -0.04 1.69 1.60 2vhiE1 LYS 45 HD3 -0.06 0.00 0.06 -0.04 1.68 1.64 2vhiE1 LYS 45 HE2 -0.05 0.21 -0.04 -0.04 2.99 3.06 2vhiE1 LYS 45 HE3 -0.05 -0.05 0.01 -0.04 2.99 2.86 2vhiE1 ASP 46 H -0.06 0.23 -0.56 -0.55 8.40 7.47 2vhiE1 ASP 46 HA -0.06 0.03 0.42 -0.75 4.63 4.26 2vhiE1 ASP 46 HB2 -0.03 0.27 0.14 -0.04 2.71 3.05 2vhiE1 ASP 46 HB3 -0.03 -0.03 -0.06 -0.04 2.70 2.54 2vhiE1 ILE 47 H -0.04 0.39 -0.05 -0.55 8.25 7.99 2vhiE1 ILE 47 HA 0.01 0.00 0.40 -0.75 4.18 3.83 2vhiE1 ILE 47 HB 0.03 0.11 0.18 -0.04 1.89 2.17 2vhiE1 ILE 47 HG12 0.05 -0.01 0.01 -0.04 1.49 1.50 2vhiE1 ILE 47 HG13 0.02 -0.05 0.06 -0.04 1.21 1.19 2vhiE1 ILE 47 HG23 0.22 0.01 -0.12 -0.04 0.93 1.00 2vhiE1 ILE 47 HD13 -0.00 0.10 0.03 -0.04 0.88 0.96 2vhiE1 ALA 48 H -0.23 0.42 -0.27 -0.55 8.40 7.77 2vhiE1 ALA 48 HA -2.14 -0.02 0.29 -0.75 4.34 1.71 2vhiE1 ALA 48 HB3 -0.53 0.11 0.04 -0.04 1.41 0.99 2vhiE1 GLU 49 H -0.21 0.54 -0.10 -0.55 8.60 8.28 2vhiE1 GLU 49 HA -0.14 -0.01 0.40 -0.75 4.29 3.79 2vhiE1 GLU 49 HB2 -0.09 -0.04 0.12 -0.04 2.09 2.05 2vhiE1 GLU 49 HB3 -0.09 0.10 0.24 -0.04 1.99 2.20 2vhiE1 GLU 49 HG2 -0.04 0.01 -0.18 -0.04 2.34 2.09 2vhiE1 GLU 49 HG3 -0.05 -0.03 -0.09 -0.04 2.34 2.12 2vhiE1 GLN 50 H -0.08 0.58 -0.08 -0.55 8.47 8.35 2vhiE1 GLN 50 HA -0.01 -0.02 0.36 -0.75 4.36 3.93 2vhiE1 GLN 50 HB2 -0.00 0.12 0.17 -0.04 2.15 2.39 2vhiE1 GLN 50 HB3 0.02 -0.06 -0.02 -0.04 2.02 1.92 2vhiE1 GLN 50 HG2 -0.01 -0.07 0.03 -0.04 2.40 2.32 2vhiE1 GLN 50 HG3 -0.03 0.12 0.08 -0.04 2.39 2.52 2vhiE1 GLN 50 HE21 0.01 -0.04 -0.03 -0.04 6.97 6.87 2vhiE1 GLN 50 HE22 0.00 -0.02 -0.01 -0.04 7.69 7.62 2vhiE1 ASN 51 H 0.01 0.58 -0.08 -0.55 8.53 8.49 2vhiE1 ASN 51 HA 0.10 0.06 0.59 -0.75 4.76 4.75 2vhiE1 ASN 51 HB2 0.48 0.09 0.02 -0.04 2.88 3.42 2vhiE1 ASN 51 HB3 0.30 -0.06 0.08 -0.04 2.79 3.06 2vhiE1 ASN 51 HD21 0.13 -0.12 0.02 -0.04 7.03 7.01 2vhiE1 ASN 51 HD22 0.21 0.48 0.07 -0.04 7.74 8.46 2vhiE1 GLY 52 H -0.03 0.33 -0.52 -0.55 8.43 7.66 2vhiE1 GLY 52 HA2 0.00 0.05 0.28 -0.51 4.01 3.83 2vhiE1 GLY 52 HA3 0.07 -0.02 0.32 -0.51 4.01 3.86 2vhiE1 PHE 53 H -0.22 0.55 0.03 -0.55 8.34 8.14 2vhiE1 PHE 53 HA 0.02 0.18 0.87 -0.75 4.62 4.93 2vhiE1 PHE 53 HB2 0.02 -0.05 -0.33 -0.04 3.15 2.74 2vhiE1 PHE 53 HB3 0.02 0.02 -0.23 -0.04 3.06 2.83 2vhiE1 PHE 53 HD2 0.01 0.10 -0.30 -0.04 7.28 7.04 2vhiE1 PHE 53 HE2 -0.00 0.01 -0.17 -0.04 7.38 7.17 2vhiE1 PHE 53 HZ -0.01 -0.02 -0.16 -0.04 7.32 7.09 2vhiE1 ASP 54 H 0.15 0.59 0.25 -0.55 8.40 8.84 2vhiE1 ASP 54 HA -0.01 0.05 0.44 -0.75 4.63 4.35 2vhiE1 ASP 54 HB2 0.11 -0.00 0.21 -0.04 2.71 2.98 2vhiE1 ASP 54 HB3 0.07 -0.01 -0.03 -0.04 2.70 2.69 2vhiE1 ILE 55 H -0.04 0.21 0.18 -0.55 8.25 8.06 2vhiE1 ILE 55 HA 0.07 0.37 0.74 -0.75 4.18 4.61 2vhiE1 ILE 55 HB -0.01 0.05 -0.00 -0.04 1.89 1.88 2vhiE1 ILE 55 HG12 -0.03 -0.05 -0.25 -0.04 1.49 1.11 2vhiE1 ILE 55 HG13 0.03 0.12 -0.02 -0.04 1.21 1.29 2vhiE1 ILE 55 HG23 -0.12 -0.01 0.08 -0.04 0.93 0.84 2vhiE1 ILE 55 HD13 0.00 -0.02 -0.22 -0.04 0.88 0.60 2vhiE1 LYS 56 H 0.04 0.49 0.28 -0.55 8.42 8.68 2vhiE1 LYS 56 HA -0.12 0.15 0.98 -0.75 4.32 4.57 2vhiE1 LYS 56 HB2 0.12 -0.01 0.02 -0.04 1.87 1.96 2vhiE1 LYS 56 HB3 -0.08 0.04 -0.03 -0.04 1.79 1.67 2vhiE1 LYS 56 HG2 -0.01 0.05 -0.00 -0.04 1.46 1.45 2vhiE1 LYS 56 HG3 0.03 -0.10 -0.40 -0.04 1.46 0.95 2vhiE1 LYS 56 HD2 0.15 -0.02 -0.09 -0.04 1.69 1.68 2vhiE1 LYS 56 HD3 0.19 0.03 -0.08 -0.04 1.68 1.78 2vhiE1 LYS 56 HE2 0.06 0.01 -0.04 -0.04 2.99 2.99 2vhiE1 LYS 56 HE3 0.06 -0.04 -0.05 -0.04 2.99 2.91 2vhiE1 GLY 57 H -0.35 0.18 0.24 -0.55 8.43 7.96 2vhiE1 GLY 57 HA2 -0.10 0.58 1.13 -0.51 4.01 5.11 2vhiE1 GLY 57 HA3 -0.17 0.05 0.35 -0.51 4.01 3.73 2vhiE1 TYR 58 H 0.05 0.55 0.48 -0.55 8.29 8.82 2vhiE1 TYR 58 HA -0.08 0.13 0.80 -0.75 4.56 4.66 2vhiE1 TYR 58 HB2 -0.05 -0.04 0.00 -0.04 3.06 2.92 2vhiE1 TYR 58 HB3 -0.20 0.03 0.12 -0.04 2.98 2.89 2vhiE1 TYR 58 HD2 -0.02 0.02 -0.23 -0.04 7.15 6.88 2vhiE1 TYR 58 HE2 0.01 -0.01 -0.13 -0.04 6.85 6.67 2vhiE1 ARG 59 H -0.06 0.60 0.26 -0.55 8.46 8.71 2vhiE1 ARG 59 HA 0.01 0.25 1.11 -0.75 4.34 4.96 2vhiE1 ARG 59 HB2 -0.01 -0.03 -0.19 -0.04 1.90 1.62 2vhiE1 ARG 59 HB3 -0.03 0.02 -0.02 -0.04 1.80 1.73 2vhiE1 ARG 59 HG2 0.04 0.17 -0.13 -0.04 1.67 1.71 2vhiE1 ARG 59 HG3 0.02 -0.05 -0.03 -0.04 1.67 1.57 2vhiE1 ARG 59 HD2 0.02 -0.06 -0.16 -0.04 3.22 2.97 2vhiE1 ARG 59 HD3 0.00 -0.03 -0.07 -0.04 3.22 3.08 2vhiE1 PHE 60 H 0.20 0.77 0.44 -0.55 8.34 9.20 2vhiE1 PHE 60 HA 0.08 0.16 0.90 -0.75 4.62 5.01 2vhiE1 PHE 60 HB2 0.14 -0.05 0.11 -0.04 3.15 3.32 2vhiE1 PHE 60 HB3 0.21 0.01 0.09 -0.04 3.06 3.32 2vhiE1 PHE 60 HD2 0.10 0.02 -0.11 -0.04 7.28 7.24 2vhiE1 PHE 60 HE2 0.09 -0.05 -0.27 -0.04 7.38 7.11 2vhiE1 PHE 60 HZ 0.08 -0.08 -0.16 -0.04 7.32 7.13 2vhiE1 THR 61 H 0.21 0.22 0.19 -0.55 8.28 8.35 2vhiE1 THR 61 HA 0.11 0.13 0.98 -0.75 4.39 4.85 2vhiE1 THR 61 HB 0.05 0.02 -0.17 -0.04 4.32 4.18 2vhiE1 THR 61 HG23 0.04 0.01 -0.15 -0.04 1.22 1.08 2vhiE1 ALA 62 H 0.06 0.18 0.18 -0.55 8.40 8.27 2vhiE1 ALA 62 HA 0.05 0.22 0.82 -0.75 4.34 4.67 2vhiE1 ALA 62 HB3 0.06 -0.00 -0.00 -0.04 1.41 1.43 2vhiE1 ARG 63 H -0.01 0.12 0.09 -0.55 8.46 8.11 2vhiE1 ARG 63 HA -0.01 0.10 0.64 -0.75 4.34 4.31 2vhiE1 ARG 63 HB2 -0.04 0.03 0.09 -0.04 1.90 1.94 2vhiE1 ARG 63 HB3 -0.05 -0.01 0.10 -0.04 1.80 1.80 2vhiE1 ARG 63 HG2 -0.02 -0.09 -0.17 -0.04 1.67 1.35 2vhiE1 ARG 63 HG3 -0.02 0.21 -0.37 -0.04 1.67 1.46 2vhiE1 ARG 63 HD2 -0.06 -0.00 -0.03 -0.04 3.22 3.09 2vhiE1 ARG 63 HD3 -0.04 0.01 -0.05 -0.04 3.22 3.10 2vhiE1 GLU 64 H -0.01 0.12 0.15 -0.55 8.60 8.31 2vhiE1 GLU 64 HA 0.01 0.11 0.73 -0.75 4.29 4.39 2vhiE1 GLU 64 HB2 0.00 -0.01 0.11 -0.04 2.09 2.15 2vhiE1 GLU 64 HB3 -0.00 0.00 0.05 -0.04 1.99 2.00 2vhiE1 GLU 64 HG2 0.01 0.12 0.10 -0.04 2.34 2.53 2vhiE1 GLU 64 HG3 0.01 -0.07 0.10 -0.04 2.34 2.34 2vhiE1 GLU 65 H 0.01 0.19 0.19 -0.55 8.60 8.44 2vhiE1 GLU 65 HA 0.00 0.16 0.78 -0.75 4.29 4.48 2vhiE1 GLU 65 HB2 0.01 0.20 0.07 -0.04 2.09 2.32 2vhiE1 GLU 65 HB3 0.01 -0.11 0.07 -0.04 1.99 1.91 2vhiE1 GLU 65 HG2 0.01 0.05 -0.22 -0.04 2.34 2.13 2vhiE1 GLU 65 HG3 0.02 0.03 -0.01 -0.04 2.34 2.33 2vhiE1 GLN 66 H 0.00 0.14 0.16 -0.55 8.47 8.22 2vhiE1 GLN 66 HA 0.00 0.16 0.56 -0.75 4.36 4.32 2vhiE1 GLN 66 HB2 0.00 -0.04 0.17 -0.04 2.15 2.24 2vhiE1 GLN 66 HB3 0.00 0.04 -0.05 -0.04 2.02 1.97 2vhiE1 GLN 66 HG2 -0.00 0.03 0.03 -0.04 2.40 2.41 2vhiE1 GLN 66 HG3 -0.00 0.01 0.02 -0.04 2.39 2.37 2vhiE1 GLN 66 HE21 -0.00 0.01 0.01 -0.04 6.97 6.94 2vhiE1 GLN 66 HE22 -0.00 0.01 0.01 -0.04 7.69 7.67 2vhiE1 THR 67 H 0.01 0.04 0.00 -0.55 8.28 7.79 2vhiE1 THR 67 HA 0.01 0.22 0.61 -0.75 4.39 4.48 2vhiE1 THR 67 HB 0.01 0.04 0.14 -0.04 4.32 4.46 2vhiE1 THR 67 HG23 0.00 -0.01 -0.02 -0.04 1.22 1.16 2vhiE1 ARG 68 H 0.01 0.17 -0.50 -0.55 8.46 7.59 2vhiE1 ARG 68 HA 0.01 0.13 0.76 -0.75 4.34 4.49 2vhiE1 ARG 68 HB2 0.02 -0.02 -0.31 -0.04 1.90 1.54 2vhiE1 ARG 68 HB3 0.02 -0.07 -0.05 -0.04 1.80 1.66 2vhiE1 ARG 68 HG2 0.02 0.13 -0.10 -0.04 1.67 1.68 2vhiE1 ARG 68 HG3 0.02 0.01 0.07 -0.04 1.67 1.73 2vhiE1 ARG 68 HD2 0.03 0.02 -0.02 -0.04 3.22 3.20 2vhiE1 ARG 68 HD3 0.02 0.01 -0.05 -0.04 3.22 3.16 2vhiE1 LYS 69 H 0.02 0.13 0.07 -0.55 8.42 8.09 2vhiE1 LYS 69 HA 0.01 0.07 0.53 -0.75 4.32 4.18 2vhiE1 LYS 69 HB2 0.02 -0.01 0.10 -0.04 1.87 1.93 2vhiE1 LYS 69 HB3 0.02 0.13 -0.02 -0.04 1.79 1.88 2vhiE1 LYS 69 HG2 0.01 -0.01 0.07 -0.04 1.46 1.49 2vhiE1 LYS 69 HG3 0.01 -0.01 0.00 -0.04 1.46 1.43 2vhiE1 LYS 69 HD2 0.01 0.03 0.03 -0.04 1.69 1.72 2vhiE1 LYS 69 HD3 0.01 -0.00 0.02 -0.04 1.68 1.66 2vhiE1 LYS 69 HE2 0.01 0.02 0.01 -0.04 2.99 3.00 2vhiE1 LYS 69 HE3 0.01 0.00 0.01 -0.04 2.99 2.97 2vhiE1 ARG 70 H 0.02 0.11 0.17 -0.55 8.46 8.21 2vhiE1 ARG 70 HA 0.03 -0.02 0.45 -0.75 4.34 4.05 2vhiE1 ARG 70 HB2 0.03 0.02 0.08 -0.04 1.90 1.99 2vhiE1 ARG 70 HB3 0.03 -0.01 0.07 -0.04 1.80 1.84 2vhiE1 ARG 70 HG2 0.02 0.01 0.13 -0.04 1.67 1.79 2vhiE1 ARG 70 HG3 0.02 -0.00 0.17 -0.04 1.67 1.81 2vhiE1 ARG 70 HD2 0.01 0.02 0.04 -0.04 3.22 3.25 2vhiE1 ARG 70 HD3 0.02 0.02 0.04 -0.04 3.22 3.26 2vhiE1 ARG 71 H 0.04 0.01 0.13 -0.55 8.46 8.09 2vhiE1 ARG 71 HA 0.04 0.26 0.83 -0.75 4.34 4.72 2vhiE1 ARG 71 HB2 0.06 -0.22 0.20 -0.04 1.90 1.89 2vhiE1 ARG 71 HB3 0.05 0.08 0.09 -0.04 1.80 1.98 2vhiE1 ARG 71 HG2 0.04 0.08 -0.10 -0.04 1.67 1.65 2vhiE1 ARG 71 HG3 0.04 0.13 -0.03 -0.04 1.67 1.76 2vhiE1 ARG 71 HD2 0.04 0.02 -0.03 -0.04 3.22 3.21 2vhiE1 ARG 71 HD3 0.03 0.02 -0.03 -0.04 3.22 3.21 2vhiE1 ILE 72 H 0.04 0.29 -0.05 -0.55 8.25 7.98 2vhiE1 ILE 72 HA 0.03 0.17 0.62 -0.75 4.18 4.24 2vhiE1 ILE 72 HB 0.03 0.04 0.09 -0.04 1.89 2.01 2vhiE1 ILE 72 HG12 0.03 0.01 -0.15 -0.04 1.49 1.33 2vhiE1 ILE 72 HG13 0.02 0.04 -0.02 -0.04 1.21 1.21 2vhiE1 ILE 72 HG23 0.02 0.01 -0.12 -0.04 0.93 0.80 2vhiE1 ILE 72 HD13 0.03 -0.03 -0.11 -0.04 0.88 0.74 2vhiE1 VAL 73 H -0.01 0.67 0.50 -0.55 8.24 8.86 2vhiE1 VAL 73 HA 0.01 0.16 0.89 -0.75 4.13 4.44 2vhiE1 VAL 73 HB -0.02 -0.04 0.06 -0.04 2.12 2.08 2vhiE1 VAL 73 HG13 -0.01 0.01 -0.11 -0.04 0.97 0.82 2vhiE1 VAL 73 HG23 0.13 0.02 -0.23 -0.04 0.95 0.84 2vhiE1 ARG 74 H -0.09 0.21 0.25 -0.55 8.46 8.27 2vhiE1 ARG 74 HA -0.04 0.23 1.15 -0.75 4.34 4.93 2vhiE1 ARG 74 HB2 -0.06 0.02 0.07 -0.04 1.90 1.89 2vhiE1 ARG 74 HB3 -0.09 -0.13 0.20 -0.04 1.80 1.74 2vhiE1 ARG 74 HG2 -0.04 0.07 -0.32 -0.04 1.67 1.34 2vhiE1 ARG 74 HG3 -0.02 0.01 -0.20 -0.04 1.67 1.42 2vhiE1 ARG 74 HD2 -0.02 -0.12 -0.10 -0.04 3.22 2.95 2vhiE1 ARG 74 HD3 -0.03 -0.02 -0.08 -0.04 3.22 3.05 2vhiE1 VAL 75 H -0.01 0.76 0.42 -0.55 8.24 8.86 2vhiE1 VAL 75 HA 0.00 0.23 1.26 -0.75 4.13 4.87 2vhiE1 VAL 75 HB 0.17 0.01 -0.02 -0.04 2.12 2.25 2vhiE1 VAL 75 HG13 0.03 -0.02 -0.14 -0.04 0.97 0.80 2vhiE1 VAL 75 HG23 -0.02 0.01 -0.02 -0.04 0.95 0.88 2vhiE1 GLY 76 H 0.03 0.71 0.41 -0.55 8.43 9.04 2vhiE1 GLY 76 HA2 0.03 0.44 1.12 -0.51 4.01 5.10 2vhiE1 GLY 76 HA3 -0.01 -0.05 0.34 -0.51 4.01 3.78 2vhiE1 ALA 77 H 0.07 0.57 0.27 -0.55 8.40 8.77 2vhiE1 ALA 77 HA 0.05 0.18 0.90 -0.75 4.34 4.72 2vhiE1 ALA 77 HB3 0.11 -0.01 -0.02 -0.04 1.41 1.45 2vhiE1 ILE 78 H -0.03 0.57 0.30 -0.55 8.25 8.53 2vhiE1 ILE 78 HA -0.02 0.30 1.17 -0.75 4.18 4.88 2vhiE1 ILE 78 HB -0.16 -0.11 0.09 -0.04 1.89 1.67 2vhiE1 ILE 78 HG12 -0.10 0.01 -0.27 -0.04 1.49 1.09 2vhiE1 ILE 78 HG13 -0.11 0.14 -0.00 -0.04 1.21 1.20 2vhiE1 ILE 78 HG23 -0.16 0.00 -0.11 -0.04 0.93 0.62 2vhiE1 ILE 78 HD13 -0.23 -0.03 -0.16 -0.04 0.88 0.42 2vhiE1 GLN 79 H 0.02 0.63 0.35 -0.55 8.47 8.92 2vhiE1 GLN 79 HA -0.00 0.08 0.97 -0.75 4.36 4.65 2vhiE1 GLN 79 HB2 -0.00 0.21 0.09 -0.04 2.15 2.40 2vhiE1 GLN 79 HB3 0.03 -0.11 0.01 -0.04 2.02 1.92 2vhiE1 GLN 79 HG2 0.06 0.04 0.11 -0.04 2.40 2.57 2vhiE1 GLN 79 HG3 0.04 -0.09 0.08 -0.04 2.39 2.38 2vhiE1 GLN 79 HE21 0.05 0.18 0.01 -0.04 6.97 7.16 2vhiE1 GLN 79 HE22 0.04 0.14 -0.11 -0.04 7.69 7.72 2vhiE1 ASN 80 H -0.00 0.20 0.21 -0.55 8.53 8.39 2vhiE1 ASN 80 HA 0.01 0.08 0.70 -0.75 4.76 4.80 2vhiE1 ASN 80 HB2 0.02 0.05 0.12 -0.04 2.88 3.02 2vhiE1 ASN 80 HB3 -0.02 0.01 -0.31 -0.04 2.79 2.44 2vhiE1 ASN 80 HD21 0.15 -0.05 -0.29 -0.04 7.03 6.80 2vhiE1 ASN 80 HD22 0.08 0.33 -0.02 -0.04 7.74 8.08 2vhiE1 SER 81 H 0.02 0.18 0.15 -0.55 8.46 8.27 2vhiE1 SER 81 HA -0.03 0.14 0.94 -0.75 4.49 4.79 2vhiE1 SER 81 HB2 0.01 0.06 0.13 -0.04 3.95 4.11 2vhiE1 SER 81 HB3 0.01 0.12 -0.10 -0.04 3.93 3.92 2vhiE1 ILE 82 H -0.03 0.07 0.09 -0.55 8.25 7.83 2vhiE1 ILE 82 HA 0.02 0.12 0.61 -0.75 4.18 4.18 2vhiE1 ILE 82 HB -0.02 -0.02 0.03 -0.04 1.89 1.83 2vhiE1 ILE 82 HG12 -0.04 -0.03 -0.02 -0.04 1.49 1.36 2vhiE1 ILE 82 HG13 -0.02 0.08 -0.40 -0.04 1.21 0.82 2vhiE1 ILE 82 HG23 -0.05 -0.01 -0.09 -0.04 0.93 0.73 2vhiE1 ILE 82 HD13 -0.10 0.00 -0.08 -0.04 0.88 0.66 2vhiE1 VAL 83 H 0.01 0.02 0.10 -0.55 8.24 7.83 2vhiE1 VAL 83 HA 0.03 0.22 0.26 -0.75 4.13 3.89 2vhiE1 VAL 83 HB 0.04 -0.10 0.04 -0.04 2.12 2.06 2vhiE1 VAL 83 HG13 0.04 0.01 -0.20 -0.04 0.97 0.79 2vhiE1 VAL 83 HG23 0.06 0.04 -0.17 -0.04 0.95 0.84 2vhiE1 ILE 84 H 0.02 0.03 0.15 -0.55 8.25 7.90 2vhiE1 ILE 84 HA 0.02 0.27 0.96 -0.75 4.18 4.67 2vhiE1 ILE 84 HB 0.02 0.09 -0.02 -0.04 1.89 1.93 2vhiE1 ILE 84 HG12 0.01 -0.06 0.06 -0.04 1.49 1.46 2vhiE1 ILE 84 HG13 0.03 -0.01 -0.01 -0.04 1.21 1.17 2vhiE1 ILE 84 HG23 0.02 -0.00 -0.07 -0.04 0.93 0.83 2vhiE1 ILE 84 HD13 -0.00 -0.00 -0.39 -0.04 0.88 0.45 2vhiE1 PRO 85 HA -0.01 0.01 0.33 -0.51 4.44 4.26 2vhiE1 PRO 85 HB2 0.03 -0.02 -0.04 -0.04 2.28 2.20 2vhiE1 PRO 85 HB3 0.01 0.05 0.10 -0.04 2.02 2.14 2vhiE1 PRO 85 HG2 0.02 0.06 0.04 -0.04 2.03 2.11 2vhiE1 PRO 85 HG3 0.02 0.06 0.08 -0.04 2.03 2.15 2vhiE1 PRO 85 HD2 0.02 0.08 0.21 -0.04 3.68 3.94 2vhiE1 PRO 85 HD3 0.01 0.19 0.17 -0.04 3.65 3.99 2vhiE1 THR 86 H -0.04 0.19 0.18 -0.55 8.28 8.07 2vhiE1 THR 86 HA 0.14 0.08 0.36 -0.75 4.39 4.21 2vhiE1 THR 86 HB 0.28 -0.04 0.11 -0.04 4.32 4.62 2vhiE1 THR 86 HG23 -0.50 -0.02 0.01 -0.04 1.22 0.66 2vhiE1 THR 87 H 0.08 0.04 -0.53 -0.55 8.28 7.32 2vhiE1 THR 87 HA 0.08 0.12 0.78 -0.75 4.39 4.61 2vhiE1 THR 87 HB 0.04 0.00 0.10 -0.04 4.32 4.42 2vhiE1 THR 87 HG23 0.10 -0.00 -0.01 -0.04 1.22 1.27 2vhiE1 ALA 88 H 0.05 0.45 -0.11 -0.55 8.40 8.24 2vhiE1 ALA 88 HA -0.01 0.07 0.47 -0.75 4.34 4.12 2vhiE1 ALA 88 HB3 0.01 0.04 -0.11 -0.04 1.41 1.31 2vhiE1 PRO 89 HA -0.10 0.03 0.48 -0.51 4.44 4.34 2vhiE1 PRO 89 HB2 -0.08 -0.18 0.16 -0.04 2.28 2.14 2vhiE1 PRO 89 HB3 -0.09 0.06 0.15 -0.04 2.02 2.10 2vhiE1 PRO 89 HG2 -0.04 0.07 0.12 -0.04 2.03 2.13 2vhiE1 PRO 89 HG3 -0.05 0.09 0.12 -0.04 2.03 2.15 2vhiE1 PRO 89 HD2 -0.03 0.15 0.22 -0.04 3.68 3.99 2vhiE1 PRO 89 HD3 -0.04 0.17 0.14 -0.04 3.65 3.88 2vhiE1 ILE 90 H -0.19 0.16 0.25 -0.55 8.25 7.93 2vhiE1 ILE 90 HA -0.14 0.15 0.44 -0.75 4.18 3.88 2vhiE1 ILE 90 HB -1.52 0.04 0.09 -0.04 1.89 0.46 2vhiE1 ILE 90 HG12 -0.35 0.05 0.02 -0.04 1.49 1.17 2vhiE1 ILE 90 HG13 -0.31 -0.19 0.08 -0.04 1.21 0.75 2vhiE1 ILE 90 HG23 -0.18 0.04 0.09 -0.04 0.93 0.84 2vhiE1 ILE 90 HD13 -0.53 0.02 -0.33 -0.04 0.88 0.01 2vhiE1 GLU 91 H -0.22 0.03 -0.30 -0.55 8.60 7.57 2vhiE1 GLU 91 HA -0.33 0.14 0.58 -0.75 4.29 3.92 2vhiE1 GLU 91 HB2 -0.15 -0.04 0.05 -0.04 2.09 1.91 2vhiE1 GLU 91 HB3 -0.18 0.05 -0.01 -0.04 1.99 1.81 2vhiE1 GLU 91 HG2 -0.21 0.06 0.01 -0.04 2.34 2.16 2vhiE1 GLU 91 HG3 -0.18 -0.04 0.02 -0.04 2.34 2.09 2vhiE1 LYS 92 H -0.13 0.15 -0.14 -0.55 8.42 7.74 2vhiE1 LYS 92 HA -0.10 0.06 0.50 -0.75 4.32 4.02 2vhiE1 LYS 92 HB2 -0.06 0.11 0.13 -0.04 1.87 2.01 2vhiE1 LYS 92 HB3 -0.04 0.03 -0.11 -0.04 1.79 1.64 2vhiE1 LYS 92 HG2 -0.03 0.03 0.02 -0.04 1.46 1.44 2vhiE1 LYS 92 HG3 -0.03 0.01 0.04 -0.04 1.46 1.43 2vhiE1 LYS 92 HD2 -0.07 -0.11 0.03 -0.04 1.69 1.49 2vhiE1 LYS 92 HD3 -0.04 0.02 0.03 -0.04 1.68 1.65 2vhiE1 LYS 92 HE2 -0.05 0.00 -0.04 -0.04 2.99 2.86 2vhiE1 LYS 92 HE3 -0.04 -0.01 -0.03 -0.04 2.99 2.87 2vhiE1 GLN 93 H -0.06 0.43 -0.21 -0.55 8.47 8.08 2vhiE1 GLN 93 HA 0.00 -0.02 0.39 -0.75 4.36 3.99 2vhiE1 GLN 93 HB2 0.21 0.09 0.15 -0.04 2.15 2.56 2vhiE1 GLN 93 HB3 0.15 -0.04 0.03 -0.04 2.02 2.12 2vhiE1 GLN 93 HG2 0.06 -0.00 -0.13 -0.04 2.40 2.28 2vhiE1 GLN 93 HG3 0.06 0.13 -0.20 -0.04 2.39 2.34 2vhiE1 GLN 93 HE21 0.29 0.37 0.12 -0.04 6.97 7.71 2vhiE1 GLN 93 HE22 0.10 0.40 -0.00 -0.04 7.69 8.16 2vhiE1 ARG 94 H -0.14 0.50 -0.05 -0.55 8.46 8.23 2vhiE1 ARG 94 HA -0.20 0.17 0.53 -0.75 4.34 4.09 2vhiE1 ARG 94 HB2 -0.13 0.09 0.24 -0.04 1.90 2.06 2vhiE1 ARG 94 HB3 -0.60 0.01 0.17 -0.04 1.80 1.33 2vhiE1 ARG 94 HG2 -1.69 -0.07 -0.10 -0.04 1.67 -0.24 2vhiE1 ARG 94 HG3 -0.41 0.05 0.18 -0.04 1.67 1.44 2vhiE1 ARG 94 HD2 0.07 -0.12 0.02 -0.04 3.22 3.15 2vhiE1 ARG 94 HD3 -0.09 0.09 0.07 -0.04 3.22 3.24 2vhiE1 GLU 95 H -0.39 0.42 -0.37 -0.55 8.60 7.71 2vhiE1 GLU 95 HA -0.48 -0.00 0.42 -0.75 4.29 3.48 2vhiE1 GLU 95 HB2 -0.30 0.22 0.18 -0.04 2.09 2.15 2vhiE1 GLU 95 HB3 -0.09 0.05 0.08 -0.04 1.99 1.99 2vhiE1 GLU 95 HG2 0.19 -0.05 0.05 -0.04 2.34 2.49 2vhiE1 GLU 95 HG3 0.08 -0.02 0.03 -0.04 2.34 2.38 2vhiE1 ALA 96 H -0.07 0.52 -0.11 -0.55 8.40 8.20 2vhiE1 ALA 96 HA 0.07 0.04 0.48 -0.75 4.34 4.17 2vhiE1 ALA 96 HB3 0.02 0.02 0.10 -0.04 1.41 1.51 2vhiE1 ILE 97 H 0.02 0.44 -0.11 -0.55 8.25 8.06 2vhiE1 ILE 97 HA 0.16 0.04 0.41 -0.75 4.18 4.03 2vhiE1 ILE 97 HB 0.05 0.10 0.09 -0.04 1.89 2.10 2vhiE1 ILE 97 HG12 0.06 -0.04 0.05 -0.04 1.49 1.51 2vhiE1 ILE 97 HG13 0.03 -0.02 0.14 -0.04 1.21 1.33 2vhiE1 ILE 97 HG23 0.35 0.07 -0.03 -0.04 0.93 1.29 2vhiE1 ILE 97 HD13 -0.03 -0.00 -0.23 -0.04 0.88 0.58 2vhiE1 TRP 98 H 0.27 0.59 -0.14 -0.55 7.97 8.15 2vhiE1 TRP 98 HA 0.36 -0.02 0.46 -0.75 4.62 4.65 2vhiE1 TRP 98 HB2 0.07 0.19 0.25 -0.04 3.23 3.70 2vhiE1 TRP 98 HB3 0.09 -0.04 -0.03 -0.04 3.23 3.21 2vhiE1 TRP 98 HD1 -0.10 -0.05 -0.02 -0.04 7.22 7.01 2vhiE1 TRP 98 HE1 -0.17 -0.09 -0.03 -0.04 10.20 9.86 2vhiE1 TRP 98 HE3 0.03 0.04 -0.01 -0.04 7.59 7.61 2vhiE1 TRP 98 HZ2 -0.01 -0.15 -0.19 -0.04 7.44 7.06 2vhiE1 TRP 98 HZ3 0.01 -0.00 -0.04 -0.04 7.13 7.06 2vhiE1 TRP 98 HH2 0.00 -0.04 -0.08 -0.04 7.19 7.03 2vhiE1 ASN 99 H 0.30 0.56 -0.17 -0.55 8.53 8.67 2vhiE1 ASN 99 HA 0.16 -0.01 0.31 -0.75 4.76 4.47 2vhiE1 ASN 99 HB2 0.13 0.13 0.17 -0.04 2.88 3.27 2vhiE1 ASN 99 HB3 0.11 -0.04 -0.01 -0.04 2.79 2.81 2vhiE1 ASN 99 HD21 0.12 -0.07 -0.03 -0.04 7.03 7.00 2vhiE1 ASN 99 HD22 0.10 -0.02 -0.01 -0.04 7.74 7.76 2vhiE1 LYS 100 H 0.15 0.48 -0.14 -0.55 8.42 8.36 2vhiE1 LYS 100 HA 0.05 0.06 0.47 -0.75 4.32 4.14 2vhiE1 LYS 100 HB2 0.10 0.13 0.17 -0.04 1.87 2.23 2vhiE1 LYS 100 HB3 0.07 0.01 0.03 -0.04 1.79 1.86 2vhiE1 LYS 100 HG2 0.02 -0.01 0.03 -0.04 1.46 1.46 2vhiE1 LYS 100 HG3 0.06 -0.01 0.03 -0.04 1.46 1.50 2vhiE1 LYS 100 HD2 0.05 0.02 -0.00 -0.04 1.69 1.71 2vhiE1 LYS 100 HD3 0.06 -0.02 -0.04 -0.04 1.68 1.64 2vhiE1 LYS 100 HE2 0.06 0.02 0.01 -0.04 2.99 3.04 2vhiE1 LYS 100 HE3 -0.00 -0.04 -0.03 -0.04 2.99 2.88 2vhiE1 VAL 101 H 0.17 0.63 -0.11 -0.55 8.24 8.38 2vhiE1 VAL 101 HA -0.11 0.00 0.30 -0.75 4.13 3.56 2vhiE1 VAL 101 HB 0.16 0.11 0.09 -0.04 2.12 2.44 2vhiE1 VAL 101 HG13 -0.46 -0.03 -0.10 -0.04 0.97 0.34 2vhiE1 VAL 101 HG23 0.17 0.03 -0.01 -0.04 0.95 1.10 2vhiE1 LYS 102 H 0.09 0.70 -0.15 -0.55 8.42 8.51 2vhiE1 LYS 102 HA -0.01 -0.02 0.35 -0.75 4.32 3.89 2vhiE1 LYS 102 HB2 0.07 0.18 0.12 -0.04 1.87 2.20 2vhiE1 LYS 102 HB3 0.04 -0.05 -0.08 -0.04 1.79 1.66 2vhiE1 LYS 102 HG2 -0.03 -0.08 -0.02 -0.04 1.46 1.29 2vhiE1 LYS 102 HG3 0.06 0.26 -0.03 -0.04 1.46 1.71 2vhiE1 LYS 102 HD2 0.09 0.01 -0.06 -0.04 1.69 1.68 2vhiE1 LYS 102 HD3 0.02 -0.03 -0.06 -0.04 1.68 1.57 2vhiE1 LYS 102 HE2 -0.11 -0.03 -0.09 -0.04 2.99 2.72 2vhiE1 LYS 102 HE3 0.13 -0.04 -0.24 -0.04 2.99 2.80 2vhiE1 THR 103 H 0.02 0.44 -0.35 -0.55 8.28 7.84 2vhiE1 THR 103 HA 0.05 0.03 0.45 -0.75 4.39 4.17 2vhiE1 THR 103 HB 0.09 -0.06 0.03 -0.04 4.32 4.35 2vhiE1 THR 103 HG23 0.06 0.02 0.02 -0.04 1.22 1.28 2vhiE1 MET 104 H -0.15 0.33 -0.23 -0.55 8.47 7.88 2vhiE1 MET 104 HA -0.30 0.04 0.51 -0.75 4.52 4.02 2vhiE1 MET 104 HB2 -0.27 0.08 0.10 -0.04 2.15 2.01 2vhiE1 MET 104 HB3 -0.40 -0.05 -0.04 -0.04 2.03 1.50 2vhiE1 MET 104 HG2 -1.48 -0.02 -0.10 -0.04 2.63 0.99 2vhiE1 MET 104 HG3 -0.41 0.30 -0.03 -0.04 2.56 2.38 2vhiE1 MET 104 HE3 -0.21 0.00 -0.10 -0.04 2.10 1.75 2vhiE1 ILE 105 H -0.09 0.72 -0.08 -0.55 8.25 8.25 2vhiE1 ILE 105 HA -0.09 0.02 0.40 -0.75 4.18 3.75 2vhiE1 ILE 105 HB 0.03 0.10 -0.02 -0.04 1.89 1.96 2vhiE1 ILE 105 HG12 -0.19 -0.06 -0.10 -0.04 1.49 1.10 2vhiE1 ILE 105 HG13 -0.15 0.31 -0.01 -0.04 1.21 1.32 2vhiE1 ILE 105 HG23 -0.00 -0.01 -0.09 -0.04 0.93 0.78 2vhiE1 ILE 105 HD13 -0.21 -0.03 -0.15 -0.04 0.88 0.46 2vhiE1 LYS 106 H -0.00 0.30 -0.48 -0.55 8.42 7.68 2vhiE1 LYS 106 HA -0.39 0.08 0.51 -0.75 4.32 3.77 2vhiE1 LYS 106 HB2 0.08 0.11 0.12 -0.04 1.87 2.14 2vhiE1 LYS 106 HB3 0.02 0.14 0.10 -0.04 1.79 2.01 2vhiE1 LYS 106 HG2 -0.09 -0.07 -0.06 -0.04 1.46 1.21 2vhiE1 LYS 106 HG3 0.06 0.01 0.02 -0.04 1.46 1.51 2vhiE1 LYS 106 HD2 0.07 0.01 -0.02 -0.04 1.69 1.72 2vhiE1 LYS 106 HD3 0.03 -0.01 -0.04 -0.04 1.68 1.62 2vhiE1 LYS 106 HE2 0.03 -0.01 -0.03 -0.04 2.99 2.94 2vhiE1 LYS 106 HE3 0.11 0.01 -0.03 -0.04 2.99 3.04 2vhiE1 ALA 107 H 0.02 0.42 -0.20 -0.55 8.40 8.10 2vhiE1 ALA 107 HA -0.01 -0.01 0.45 -0.75 4.34 4.01 2vhiE1 ALA 107 HB3 0.20 0.04 0.07 -0.04 1.41 1.69 2vhiE1 ALA 108 H -0.04 0.50 -0.23 -0.55 8.40 8.09 2vhiE1 ALA 108 HA -0.03 0.01 0.35 -0.75 4.34 3.91 2vhiE1 ALA 108 HB3 -0.06 0.03 -0.03 -0.04 1.41 1.32 2vhiE1 ALA 109 H -0.22 0.33 -0.51 -0.55 8.40 7.45 2vhiE1 ALA 109 HA -0.20 0.12 0.43 -0.75 4.34 3.94 2vhiE1 ALA 109 HB3 -0.73 0.06 0.11 -0.04 1.41 0.81 2vhiE1 GLU 110 H -0.17 0.50 -0.08 -0.55 8.60 8.31 2vhiE1 GLU 110 HA -0.09 0.10 0.51 -0.75 4.29 4.05 2vhiE1 GLU 110 HB2 -0.07 0.03 0.07 -0.04 2.09 2.08 2vhiE1 GLU 110 HB3 -0.06 -0.15 0.00 -0.04 1.99 1.74 2vhiE1 GLU 110 HG2 -0.11 0.01 -0.03 -0.04 2.34 2.17 2vhiE1 GLU 110 HG3 -0.13 0.28 0.04 -0.04 2.34 2.48 2vhiE1 ALA 111 H -0.07 0.52 -0.27 -0.55 8.40 8.04 2vhiE1 ALA 111 HA -0.05 -0.03 0.60 -0.75 4.34 4.11 2vhiE1 ALA 111 HB3 -0.04 -0.01 0.03 -0.04 1.41 1.35 2vhiE1 GLY 112 H -0.08 0.28 -0.83 -0.55 8.43 7.24 2vhiE1 GLY 112 HA2 -0.07 0.15 0.28 -0.51 4.01 3.86 2vhiE1 GLY 112 HA3 -0.05 -0.05 0.33 -0.51 4.01 3.73 2vhiE1 CYS 113 H -0.09 0.51 -0.02 -0.55 8.50 8.35 2vhiE1 CYS 113 HA -0.09 -0.02 0.38 -0.75 4.58 4.09 2vhiE1 CYS 113 HB2 -0.09 0.02 -0.24 -0.04 2.97 2.61 2vhiE1 CYS 113 HB3 -0.09 -0.08 -0.17 -0.04 2.97 2.60 2vhiE1 ASN 114 H -0.19 0.61 0.42 -0.55 8.53 8.82 2vhiE1 ASN 114 HA -0.45 0.32 0.99 -0.75 4.76 4.87 2vhiE1 ASN 114 HB2 -0.64 -0.06 0.15 -0.04 2.88 2.30 2vhiE1 ASN 114 HB3 -1.85 -0.02 0.20 -0.04 2.79 1.07 2vhiE1 ASN 114 HD21 -0.12 0.05 -0.06 -0.04 7.03 6.86 2vhiE1 ASN 114 HD22 -0.27 0.16 -0.11 -0.04 7.74 7.48 2vhiE1 ILE 115 H -0.15 0.32 0.37 -0.55 8.25 8.24 2vhiE1 ILE 115 HA -0.10 0.32 0.94 -0.75 4.18 4.59 2vhiE1 ILE 115 HB 0.10 -0.07 0.09 -0.04 1.89 1.97 2vhiE1 ILE 115 HG12 0.09 -0.04 -0.08 -0.04 1.49 1.42 2vhiE1 ILE 115 HG13 -0.17 -0.11 -0.55 -0.04 1.21 0.34 2vhiE1 ILE 115 HG23 -0.06 -0.01 -0.14 -0.04 0.93 0.68 2vhiE1 ILE 115 HD13 0.15 0.02 -0.10 -0.04 0.88 0.91 2vhiE1 VAL 116 H -0.12 0.74 0.33 -0.55 8.24 8.63 2vhiE1 VAL 116 HA -0.07 0.25 1.08 -0.75 4.13 4.64 2vhiE1 VAL 116 HB -0.10 0.05 0.00 -0.04 2.12 2.03 2vhiE1 VAL 116 HG13 -0.15 -0.02 -0.16 -0.04 0.97 0.60 2vhiE1 VAL 116 HG23 -0.08 0.00 -0.18 -0.04 0.95 0.66 2vhiE1 CYS 117 H -0.10 0.59 0.40 -0.55 8.50 8.84 2vhiE1 CYS 117 HA -0.24 0.38 1.08 -0.75 4.58 5.04 2vhiE1 CYS 117 HB2 -0.60 -0.02 -0.26 -0.04 2.97 2.04 2vhiE1 CYS 117 HB3 -0.01 -0.03 -0.00 -0.04 2.97 2.89 2vhiE1 THR 118 H -0.18 0.34 0.34 -0.55 8.28 8.24 2vhiE1 THR 118 HA -0.20 0.25 0.98 -0.75 4.39 4.66 2vhiE1 THR 118 HB -0.38 -0.08 0.22 -0.04 4.32 4.04 2vhiE1 THR 118 HG23 -1.16 0.03 -0.01 -0.04 1.22 0.04 2vhiE1 GLN 119 H 0.02 0.14 0.18 -0.55 8.47 8.27 2vhiE1 GLN 119 HA 0.08 0.09 0.64 -0.75 4.36 4.41 2vhiE1 GLN 119 HB2 0.04 0.01 0.19 -0.04 2.15 2.35 2vhiE1 GLN 119 HB3 0.03 0.03 -0.03 -0.04 2.02 2.01 2vhiE1 GLN 119 HG2 0.11 -0.02 0.15 -0.04 2.40 2.59 2vhiE1 GLN 119 HG3 0.17 0.03 -0.15 -0.04 2.39 2.40 2vhiE1 GLN 119 HE21 -0.01 0.32 0.07 -0.04 6.97 7.31 2vhiE1 GLN 119 HE22 0.10 0.03 -0.04 -0.04 7.69 7.74 2vhiE1 GLU 120 H 0.09 0.32 0.07 -0.55 8.60 8.54 2vhiE1 GLU 120 HA 0.16 0.07 0.51 -0.75 4.29 4.28 2vhiE1 GLU 120 HB2 0.12 0.07 -0.52 -0.04 2.09 1.73 2vhiE1 GLU 120 HB3 0.14 -0.01 -0.27 -0.04 1.99 1.81 2vhiE1 GLU 120 HG2 0.18 0.01 -0.25 -0.04 2.34 2.24 2vhiE1 GLU 120 HG3 0.12 0.01 -0.14 -0.04 2.34 2.29 2vhiE1 ALA 121 H 0.16 0.11 -0.04 -0.55 8.40 8.08 2vhiE1 ALA 121 HA 0.09 0.01 0.21 -0.75 4.34 3.89 2vhiE1 ALA 121 HB3 0.19 0.04 -0.05 -0.04 1.41 1.55 2vhiE1 TRP 122 H 0.39 0.34 -0.10 -0.55 7.97 8.06 2vhiE1 TRP 122 HA 0.03 0.10 -0.02 -0.75 4.62 3.98 2vhiE1 TRP 122 HB2 0.05 0.00 0.05 -0.04 3.23 3.29 2vhiE1 TRP 122 HB3 0.06 0.06 -0.04 -0.04 3.23 3.27 2vhiE1 TRP 122 HD1 0.13 -0.06 0.16 -0.04 7.22 7.40 2vhiE1 TRP 122 HE1 0.49 -0.04 -0.14 -0.04 10.20 10.47 2vhiE1 TRP 122 HE3 0.10 0.01 -0.16 -0.04 7.59 7.50 2vhiE1 TRP 122 HZ2 -0.04 0.00 -0.11 -0.04 7.44 7.25 2vhiE1 TRP 122 HZ3 0.20 0.11 -0.28 -0.04 7.13 7.12 2vhiE1 TRP 122 HH2 0.05 0.01 -0.07 -0.04 7.19 7.14 2vhiE1 THR 123 H -0.33 0.02 -0.78 -0.55 8.28 6.64 2vhiE1 THR 123 HA -0.63 0.14 0.40 -0.75 4.39 3.54 2vhiE1 THR 123 HB -0.84 -0.06 -0.01 -0.04 4.32 3.37 2vhiE1 THR 123 HG23 -0.06 -0.01 -0.06 -0.04 1.22 1.05 2vhiE1 MET 124 H -0.14 0.50 -0.19 -0.55 8.47 8.09 2vhiE1 MET 124 HA -0.41 0.14 0.82 -0.75 4.52 4.31 2vhiE1 MET 124 HB2 -1.22 0.06 0.04 -0.04 2.15 0.99 2vhiE1 MET 124 HB3 -0.66 -0.01 -0.28 -0.04 2.03 1.04 2vhiE1 MET 124 HG2 -0.13 0.18 0.04 -0.04 2.63 2.68 2vhiE1 MET 124 HG3 -0.23 0.02 -0.28 -0.04 2.56 2.03 2vhiE1 MET 124 HE3 -0.38 0.01 -0.00 -0.04 2.10 1.68 2vhiE1 PRO 125 HA -0.08 0.05 0.60 -0.51 4.44 4.50 2vhiE1 PRO 125 HB2 -0.25 0.01 -0.09 -0.04 2.28 1.91 2vhiE1 PRO 125 HB3 -0.19 0.03 0.08 -0.04 2.02 1.91 2vhiE1 PRO 125 HG2 -0.32 -0.01 0.12 -0.04 2.03 1.79 2vhiE1 PRO 125 HG3 -0.01 0.09 0.10 -0.04 2.03 2.16 2vhiE1 PRO 125 HD2 -0.71 0.10 0.26 -0.04 3.68 3.29 2vhiE1 PRO 125 HD3 -0.11 0.14 0.13 -0.04 3.65 3.77 2vhiE1 PHE 126 H 0.20 0.14 0.10 -0.55 8.34 8.23 2vhiE1 PHE 126 HA 0.09 0.09 0.33 -0.75 4.62 4.38 2vhiE1 PHE 126 HB2 -0.00 0.07 0.14 -0.04 3.15 3.32 2vhiE1 PHE 126 HB3 0.56 -0.02 0.19 -0.04 3.06 3.75 2vhiE1 PHE 126 HD2 0.37 0.06 -0.04 -0.04 7.28 7.63 2vhiE1 PHE 126 HE2 0.28 -0.02 -0.10 -0.04 7.38 7.49 2vhiE1 PHE 126 HZ 0.18 -0.02 -0.04 -0.04 7.32 7.40 2vhiE1 ALA 127 H -0.78 0.41 0.32 -0.55 8.40 7.79 2vhiE1 ALA 127 HA -1.00 0.06 0.04 -0.75 4.34 2.70 2vhiE1 ALA 127 HB3 -1.57 0.02 0.07 -0.04 1.41 -0.10 2vhiE1 PHE 128 H -0.68 0.13 -0.52 -0.55 8.34 6.72 2vhiE1 PHE 128 HA -0.79 0.11 0.29 -0.75 4.62 3.48 2vhiE1 PHE 128 HB2 -0.60 0.01 -0.08 -0.04 3.15 2.44 2vhiE1 PHE 128 HB3 -0.57 0.09 -0.12 -0.04 3.06 2.42 2vhiE1 PHE 128 HD2 -1.91 0.03 -0.11 -0.04 7.28 5.25 2vhiE1 PHE 128 HE2 -0.50 0.05 -0.08 -0.04 7.38 6.81 2vhiE1 PHE 128 HZ -0.20 -0.00 -0.07 -0.04 7.32 7.00 2vhiE1 CYS 129 H -0.75 0.14 -0.28 -0.55 8.50 7.06 2vhiE1 CYS 129 HA -0.51 0.32 0.55 -0.75 4.58 4.18 2vhiE1 CYS 129 HB2 -1.13 -0.01 0.03 -0.04 2.97 1.82 2vhiE1 CYS 129 HB3 -1.49 -0.03 0.08 -0.04 2.97 1.49 2vhiE1 THR 130 H -0.91 0.23 -0.22 -0.55 8.28 6.83 2vhiE1 THR 130 HA -0.63 0.14 0.54 -0.75 4.39 3.68 2vhiE1 THR 130 HB -0.14 -0.07 -0.02 -0.04 4.32 4.05 2vhiE1 THR 130 HG23 -0.37 -0.00 -0.03 -0.04 1.22 0.78 2vhiE1 ARG 131 H -0.20 0.17 -0.27 -0.55 8.46 7.61 2vhiE1 ARG 131 HA 0.09 0.05 0.23 -0.75 4.34 3.96 2vhiE1 ARG 131 HB2 -0.09 0.18 -0.28 -0.04 1.90 1.67 2vhiE1 ARG 131 HB3 -0.08 -0.06 0.25 -0.04 1.80 1.86 2vhiE1 ARG 131 HG2 -0.09 -0.06 0.06 -0.04 1.67 1.53 2vhiE1 ARG 131 HG3 -0.01 0.11 0.03 -0.04 1.67 1.76 2vhiE1 ARG 131 HD2 -0.05 -0.05 -0.01 -0.04 3.22 3.07 2vhiE1 ARG 131 HD3 -0.06 0.10 -0.07 -0.04 3.22 3.14 2vhiE1 GLU 132 H 0.05 0.03 -0.28 -0.55 8.60 7.86 2vhiE1 GLU 132 HA 0.00 0.16 0.80 -0.75 4.29 4.50 2vhiE1 GLU 132 HB2 0.45 -0.04 0.03 -0.04 2.09 2.49 2vhiE1 GLU 132 HB3 0.14 -0.02 0.06 -0.04 1.99 2.12 2vhiE1 GLU 132 HG2 0.08 0.00 0.01 -0.04 2.34 2.39 2vhiE1 GLU 132 HG3 0.05 0.15 -0.24 -0.04 2.34 2.26 2vhiE1 LYS 133 H -0.22 0.19 0.16 -0.55 8.42 7.99 2vhiE1 LYS 133 HA -0.09 0.21 0.77 -0.75 4.32 4.45 2vhiE1 LYS 133 HB2 -1.00 0.00 0.08 -0.04 1.87 0.92 2vhiE1 LYS 133 HB3 -0.66 -0.01 0.11 -0.04 1.79 1.18 2vhiE1 LYS 133 HG2 -0.34 0.05 -0.09 -0.04 1.46 1.04 2vhiE1 LYS 133 HG3 -0.35 0.04 0.00 -0.04 1.46 1.11 2vhiE1 LYS 133 HD2 -0.28 -0.03 -0.00 -0.04 1.69 1.33 2vhiE1 LYS 133 HD3 -0.41 0.00 -0.25 -0.04 1.68 0.98 2vhiE1 LYS 133 HE2 -1.30 -0.05 -0.25 -0.04 2.99 1.34 2vhiE1 LYS 133 HE3 -0.57 0.01 -0.12 -0.04 2.99 2.27 2vhiE1 PHE 134 H -0.13 0.17 -0.03 -0.55 8.34 7.80 2vhiE1 PHE 134 HA -0.15 0.08 0.99 -0.75 4.62 4.78 2vhiE1 PHE 134 HB2 -0.11 0.04 0.09 -0.04 3.15 3.12 2vhiE1 PHE 134 HB3 -0.14 0.05 0.04 -0.04 3.06 2.97 2vhiE1 PHE 134 HD2 -0.06 0.01 -0.01 -0.04 7.28 7.18 2vhiE1 PHE 134 HE2 -0.04 0.04 -0.03 -0.04 7.38 7.32 2vhiE1 PHE 134 HZ -0.04 0.05 -0.03 -0.04 7.32 7.26 2vhiE1 PRO 135 HA -0.03 0.09 0.40 -0.51 4.44 4.40 2vhiE1 PRO 135 HB2 -0.25 -0.01 0.18 -0.04 2.28 2.15 2vhiE1 PRO 135 HB3 -0.19 0.05 0.14 -0.04 2.02 1.98 2vhiE1 PRO 135 HG2 -0.58 0.06 0.08 -0.04 2.03 1.55 2vhiE1 PRO 135 HG3 -0.35 0.05 0.07 -0.04 2.03 1.75 2vhiE1 PRO 135 HD2 -1.98 0.09 0.15 -0.04 3.68 1.90 2vhiE1 PRO 135 HD3 -0.69 0.21 0.50 -0.04 3.65 3.62 2vhiE1 TRP 136 H -0.34 0.15 -0.40 -0.55 7.97 6.83 2vhiE1 TRP 136 HA 0.25 0.07 0.14 -0.75 4.62 4.33 2vhiE1 TRP 136 HB2 -0.12 0.16 -0.08 -0.04 3.23 3.16 2vhiE1 TRP 136 HB3 -0.23 -0.03 0.05 -0.04 3.23 2.98 2vhiE1 TRP 136 HD1 -0.10 0.30 -0.16 -0.04 7.22 7.22 2vhiE1 TRP 136 HE1 -0.05 0.00 -0.03 -0.04 10.20 10.08 2vhiE1 TRP 136 HE3 0.22 -0.02 0.00 -0.04 7.59 7.75 2vhiE1 TRP 136 HZ2 0.17 -0.03 0.04 -0.04 7.44 7.58 2vhiE1 TRP 136 HZ3 0.17 0.05 0.10 -0.04 7.13 7.41 2vhiE1 TRP 136 HH2 0.12 0.08 0.05 -0.04 7.19 7.40 2vhiE1 CYS 137 H 0.08 0.39 -0.17 -0.55 8.50 8.25 2vhiE1 CYS 137 HA 0.16 0.08 0.56 -0.75 4.58 4.63 2vhiE1 CYS 137 HB2 -0.00 0.07 0.12 -0.04 2.97 3.11 2vhiE1 CYS 137 HB3 0.06 0.01 0.11 -0.04 2.97 3.11 2vhiE1 GLU 138 H 0.07 0.34 -0.22 -0.55 8.60 8.25 2vhiE1 GLU 138 HA 0.03 0.15 0.56 -0.75 4.29 4.27 2vhiE1 GLU 138 HB2 -0.08 0.21 0.17 -0.04 2.09 2.35 2vhiE1 GLU 138 HB3 -0.11 -0.05 0.10 -0.04 1.99 1.88 2vhiE1 GLU 138 HG2 -0.01 0.03 0.06 -0.04 2.34 2.38 2vhiE1 GLU 138 HG3 0.04 -0.04 -0.01 -0.04 2.34 2.30 2vhiE1 PHE 139 H 0.26 0.26 -0.44 -0.55 8.34 7.86 2vhiE1 PHE 139 HA -0.01 0.05 0.54 -0.75 4.62 4.44 2vhiE1 PHE 139 HB2 0.05 0.29 0.12 -0.04 3.15 3.57 2vhiE1 PHE 139 HB3 0.01 -0.10 -0.03 -0.04 3.06 2.89 2vhiE1 PHE 139 HD2 0.06 0.02 0.06 -0.04 7.28 7.39 2vhiE1 PHE 139 HE2 0.17 0.03 0.11 -0.04 7.38 7.64 2vhiE1 PHE 139 HZ 0.08 -0.02 0.13 -0.04 7.32 7.46 2vhiE1 ALA 140 H 0.16 0.33 -0.39 -0.55 8.40 7.96 2vhiE1 ALA 140 HA 0.14 0.10 0.40 -0.75 4.34 4.22 2vhiE1 ALA 140 HB3 0.13 0.00 -0.16 -0.04 1.41 1.34 2vhiE1 GLU 141 H 0.11 0.52 0.35 -0.55 8.60 9.04 2vhiE1 GLU 141 HA 0.08 0.20 0.85 -0.75 4.29 4.67 2vhiE1 GLU 141 HB2 0.11 -0.19 0.23 -0.04 2.09 2.20 2vhiE1 GLU 141 HB3 0.09 0.11 0.02 -0.04 1.99 2.16 2vhiE1 GLU 141 HG2 0.12 0.14 0.18 -0.04 2.34 2.73 2vhiE1 GLU 141 HG3 0.15 -0.05 -0.02 -0.04 2.34 2.38 2vhiE1 GLU 142 H 0.08 0.10 0.18 -0.55 8.60 8.41 2vhiE1 GLU 142 HA 0.08 0.30 0.71 -0.75 4.29 4.63 2vhiE1 GLU 142 HB2 0.05 -0.03 0.02 -0.04 2.09 2.09 2vhiE1 GLU 142 HB3 0.03 -0.17 0.10 -0.04 1.99 1.91 2vhiE1 GLU 142 HG2 0.06 0.16 0.07 -0.04 2.34 2.59 2vhiE1 GLU 142 HG3 0.05 0.06 0.04 -0.04 2.34 2.45 2vhiE1 ALA 143 H 0.06 0.16 0.15 -0.55 8.40 8.23 2vhiE1 ALA 143 HA 0.13 0.15 0.39 -0.75 4.34 4.25 2vhiE1 ALA 143 HB3 0.11 0.01 0.01 -0.04 1.41 1.50 2vhiE1 GLU 144 H -0.08 0.00 0.01 -0.55 8.60 8.00 2vhiE1 GLU 144 HA -0.23 0.24 0.64 -0.75 4.29 4.17 2vhiE1 GLU 144 HB2 -0.75 -0.02 0.02 -0.04 2.09 1.30 2vhiE1 GLU 144 HB3 -0.28 -0.02 0.04 -0.04 1.99 1.69 2vhiE1 GLU 144 HG2 -0.29 0.03 -0.04 -0.04 2.34 1.99 2vhiE1 GLU 144 HG3 -1.36 0.01 0.02 -0.04 2.34 0.98 2vhiE1 ASN 145 H -0.02 -0.09 -0.10 -0.55 8.53 7.77 2vhiE1 ASN 145 HA 0.00 0.29 0.68 -0.75 4.76 4.99 2vhiE1 ASN 145 HB2 0.00 -0.04 -0.01 -0.04 2.88 2.80 2vhiE1 ASN 145 HB3 0.00 0.08 0.08 -0.04 2.79 2.90 2vhiE1 ASN 145 HD21 -0.05 0.04 -0.02 -0.04 7.03 6.96 2vhiE1 ASN 145 HD22 -0.02 -0.01 0.00 -0.04 7.74 7.67 2vhiE1 GLY 146 H 0.07 0.06 -0.41 -0.55 8.43 7.60 2vhiE1 GLY 146 HA2 0.08 0.05 0.50 -0.51 4.01 4.14 2vhiE1 GLY 146 HA3 0.11 0.24 0.33 -0.51 4.01 4.18 2vhiE1 PRO 147 HA 0.11 0.10 0.38 -0.51 4.44 4.52 2vhiE1 PRO 147 HB2 0.60 0.06 -0.03 -0.04 2.28 2.87 2vhiE1 PRO 147 HB3 0.27 0.07 0.12 -0.04 2.02 2.43 2vhiE1 PRO 147 HG2 0.21 0.02 0.11 -0.04 2.03 2.34 2vhiE1 PRO 147 HG3 0.13 0.10 0.11 -0.04 2.03 2.33 2vhiE1 PRO 147 HD2 0.11 0.01 0.30 -0.04 3.68 4.06 2vhiE1 PRO 147 HD3 0.10 0.20 0.23 -0.04 3.65 4.14 2vhiE1 THR 148 H 0.27 0.11 -0.25 -0.55 8.28 7.86 2vhiE1 THR 148 HA -0.10 0.09 0.35 -0.75 4.39 3.98 2vhiE1 THR 148 HB 0.29 -0.01 0.01 -0.04 4.32 4.56 2vhiE1 THR 148 HG23 0.23 0.01 -0.17 -0.04 1.22 1.25 2vhiE1 THR 149 H 0.17 0.12 -0.26 -0.55 8.28 7.76 2vhiE1 THR 149 HA 0.00 0.04 0.41 -0.75 4.39 4.09 2vhiE1 THR 149 HB 0.16 0.06 -0.11 -0.04 4.32 4.38 2vhiE1 THR 149 HG23 0.26 0.01 -0.07 -0.04 1.22 1.39 2vhiE1 LYS 150 H 0.04 0.53 -0.21 -0.55 8.42 8.22 2vhiE1 LYS 150 HA -0.00 0.05 0.37 -0.75 4.32 3.98 2vhiE1 LYS 150 HB2 -0.01 0.06 0.07 -0.04 1.87 1.95 2vhiE1 LYS 150 HB3 -0.02 -0.03 -0.05 -0.04 1.79 1.65 2vhiE1 LYS 150 HG2 0.04 0.11 -0.29 -0.04 1.46 1.28 2vhiE1 LYS 150 HG3 0.03 -0.02 -0.14 -0.04 1.46 1.29 2vhiE1 LYS 150 HD2 0.01 -0.03 -0.00 -0.04 1.69 1.63 2vhiE1 LYS 150 HD3 0.00 -0.02 -0.01 -0.04 1.68 1.61 2vhiE1 LYS 150 HE2 0.03 -0.03 -0.05 -0.04 2.99 2.90 2vhiE1 LYS 150 HE3 0.01 0.00 0.09 -0.04 2.99 3.05 2vhiE1 MET 151 H -0.15 0.62 -0.15 -0.55 8.47 8.24 2vhiE1 MET 151 HA -0.19 -0.00 0.37 -0.75 4.52 3.94 2vhiE1 MET 151 HB2 -0.52 0.01 0.11 -0.04 2.15 1.71 2vhiE1 MET 151 HB3 -0.56 0.07 0.18 -0.04 2.03 1.69 2vhiE1 MET 151 HG2 -0.37 -0.03 -0.03 -0.04 2.63 2.15 2vhiE1 MET 151 HG3 -1.02 -0.03 -0.03 -0.04 2.56 1.43 2vhiE1 MET 151 HE3 -0.74 -0.00 -0.04 -0.04 2.10 1.27 2vhiE1 LEU 152 H -0.21 0.61 -0.08 -0.55 8.37 8.15 2vhiE1 LEU 152 HA -0.18 -0.03 0.34 -0.75 4.35 3.72 2vhiE1 LEU 152 HB2 -0.24 0.24 0.15 -0.04 1.64 1.74 2vhiE1 LEU 152 HB3 -0.20 0.01 -0.12 -0.04 1.64 1.28 2vhiE1 LEU 152 HG -0.21 -0.01 -0.06 -0.04 1.64 1.31 2vhiE1 LEU 152 HD13 -0.12 -0.01 -0.06 -0.04 0.93 0.70 2vhiE1 LEU 152 HD23 -0.45 -0.01 -0.16 -0.04 0.89 0.22 2vhiE1 ALA 153 H -0.09 0.61 -0.34 -0.55 8.40 8.03 2vhiE1 ALA 153 HA -0.05 -0.03 0.38 -0.75 4.34 3.89 2vhiE1 ALA 153 HB3 -0.01 0.10 0.14 -0.04 1.41 1.60 2vhiE1 GLU 154 H -0.10 0.45 -0.26 -0.55 8.60 8.14 2vhiE1 GLU 154 HA -0.08 0.04 0.57 -0.75 4.29 4.06 2vhiE1 GLU 154 HB2 -0.13 0.23 0.20 -0.04 2.09 2.36 2vhiE1 GLU 154 HB3 -0.12 -0.06 -0.01 -0.04 1.99 1.76 2vhiE1 GLU 154 HG2 -0.06 -0.04 0.04 -0.04 2.34 2.23 2vhiE1 GLU 154 HG3 -0.07 0.11 0.06 -0.04 2.34 2.40 2vhiE1 LEU 155 H -0.17 0.31 -0.03 -0.55 8.37 7.94 2vhiE1 LEU 155 HA -0.47 0.01 0.42 -0.75 4.35 3.55 2vhiE1 LEU 155 HB2 -0.15 0.13 0.05 -0.04 1.64 1.63 2vhiE1 LEU 155 HB3 -0.19 -0.00 -0.01 -0.04 1.64 1.39 2vhiE1 LEU 155 HG -0.17 0.07 0.03 -0.04 1.64 1.53 2vhiE1 LEU 155 HD13 -0.05 -0.01 -0.04 -0.04 0.93 0.79 2vhiE1 LEU 155 HD23 -0.21 -0.01 -0.04 -0.04 0.89 0.59 2vhiE1 ALA 156 H -0.11 0.36 -0.45 -0.55 8.40 7.66 2vhiE1 ALA 156 HA -0.02 0.07 0.45 -0.75 4.34 4.09 2vhiE1 ALA 156 HB3 -0.04 0.06 0.04 -0.04 1.41 1.44 2vhiE1 LYS 157 H -0.07 0.41 -0.07 -0.55 8.42 8.15 2vhiE1 LYS 157 HA -0.01 0.13 0.25 -0.75 4.32 3.93 2vhiE1 LYS 157 HB2 -0.04 0.06 0.18 -0.04 1.87 2.03 2vhiE1 LYS 157 HB3 -0.05 -0.00 0.10 -0.04 1.79 1.80 2vhiE1 LYS 157 HG2 -0.01 -0.04 -0.00 -0.04 1.46 1.36 2vhiE1 LYS 157 HG3 -0.01 0.33 -0.01 -0.04 1.46 1.73 2vhiE1 LYS 157 HD2 -0.03 -0.03 0.01 -0.04 1.69 1.60 2vhiE1 LYS 157 HD3 -0.01 -0.06 0.01 -0.04 1.68 1.58 2vhiE1 LYS 157 HE2 -0.01 -0.08 0.02 -0.04 2.99 2.88 2vhiE1 LYS 157 HE3 -0.01 0.12 0.10 -0.04 2.99 3.16 2vhiE1 ALA 158 H -0.15 0.56 -0.12 -0.55 8.40 8.15 2vhiE1 ALA 158 HA -0.06 0.01 0.26 -0.75 4.34 3.79 2vhiE1 ALA 158 HB3 -0.28 -0.03 0.04 -0.04 1.41 1.10 2vhiE1 TYR 159 H -0.11 0.46 -0.22 -0.55 8.29 7.87 2vhiE1 TYR 159 HA -0.02 0.08 0.68 -0.75 4.56 4.55 2vhiE1 TYR 159 HB2 -0.04 0.12 0.02 -0.04 3.06 3.12 2vhiE1 TYR 159 HB3 -0.04 -0.02 0.07 -0.04 2.98 2.95 2vhiE1 TYR 159 HD2 -0.04 0.05 -0.14 -0.04 7.15 6.97 2vhiE1 TYR 159 HE2 -0.03 -0.05 -0.14 -0.04 6.85 6.59 2vhiE1 ASN 160 H 0.05 0.25 -0.56 -0.55 8.53 7.73 2vhiE1 ASN 160 HA 0.07 0.23 0.44 -0.75 4.76 4.75 2vhiE1 ASN 160 HB2 0.07 0.01 0.03 -0.04 2.88 2.94 2vhiE1 ASN 160 HB3 0.08 0.07 0.00 -0.04 2.79 2.90 2vhiE1 ASN 160 HD21 0.19 -0.11 0.07 -0.04 7.03 7.14 2vhiE1 ASN 160 HD22 0.11 0.04 0.11 -0.04 7.74 7.96 2vhiE1 MET 161 H 0.06 0.45 0.05 -0.55 8.47 8.48 2vhiE1 MET 161 HA -0.01 0.12 0.73 -0.75 4.52 4.60 2vhiE1 MET 161 HB2 -0.08 -0.06 -0.32 -0.04 2.15 1.64 2vhiE1 MET 161 HB3 -0.10 0.23 -0.11 -0.04 2.03 2.01 2vhiE1 MET 161 HG2 0.10 0.14 -0.38 -0.04 2.63 2.45 2vhiE1 MET 161 HG3 0.06 -0.08 -0.19 -0.04 2.56 2.31 2vhiE1 MET 161 HE3 -0.10 -0.02 -0.39 -0.04 2.10 1.56 2vhiE1 VAL 162 H 0.04 0.46 0.29 -0.55 8.24 8.48 2vhiE1 VAL 162 HA 0.02 0.17 0.60 -0.75 4.13 4.16 2vhiE1 VAL 162 HB 0.07 0.02 0.21 -0.04 2.12 2.37 2vhiE1 VAL 162 HG13 -0.06 0.01 -0.20 -0.04 0.97 0.68 2vhiE1 VAL 162 HG23 0.26 -0.06 0.09 -0.04 0.95 1.19 2vhiE1 ILE 163 H -0.07 0.59 0.27 -0.55 8.25 8.49 2vhiE1 ILE 163 HA -0.14 0.26 1.04 -0.75 4.18 4.60 2vhiE1 ILE 163 HB -0.09 -0.05 0.06 -0.04 1.89 1.77 2vhiE1 ILE 163 HG12 -0.08 0.01 -0.27 -0.04 1.49 1.11 2vhiE1 ILE 163 HG13 -0.05 0.17 -0.39 -0.04 1.21 0.90 2vhiE1 ILE 163 HG23 -0.16 -0.03 -0.24 -0.04 0.93 0.47 2vhiE1 ILE 163 HD13 -0.08 0.02 -0.20 -0.04 0.88 0.58 2vhiE1 ILE 164 H -0.23 0.77 0.37 -0.55 8.25 8.61 2vhiE1 ILE 164 HA -0.14 0.31 1.12 -0.75 4.18 4.71 2vhiE1 ILE 164 HB -0.43 -0.05 0.11 -0.04 1.89 1.48 2vhiE1 ILE 164 HG12 -0.34 -0.03 -0.17 -0.04 1.49 0.90 2vhiE1 ILE 164 HG13 -0.39 0.07 -0.17 -0.04 1.21 0.68 2vhiE1 ILE 164 HG23 -0.26 -0.02 -0.18 -0.04 0.93 0.42 2vhiE1 ILE 164 HD13 -0.88 -0.01 -0.16 -0.04 0.88 -0.21 2vhiE1 HIS 165 H 0.03 0.56 0.33 -0.55 8.41 8.78 2vhiE1 HIS 165 HA -0.06 0.09 0.81 -0.75 4.63 4.71 2vhiE1 HIS 165 HB2 0.34 -0.04 0.05 -0.04 3.26 3.57 2vhiE1 HIS 165 HB3 -0.09 0.09 -0.25 -0.04 3.20 2.90 2vhiE1 HIS 165 HD2 0.00 0.18 -0.04 -0.04 6.97 7.07 2vhiE1 HIS 165 HE1 0.20 -0.09 -0.23 -0.04 7.75 7.59 2vhiE1 SER 166 H 0.49 0.23 0.18 -0.55 8.46 8.81 2vhiE1 SER 166 HA -0.02 0.37 1.21 -0.75 4.49 5.29 2vhiE1 SER 166 HB2 0.06 0.05 -0.07 -0.04 3.95 3.96 2vhiE1 SER 166 HB3 0.18 0.32 0.14 -0.04 3.93 4.52 2vhiE1 ILE 167 H -0.02 0.69 0.35 -0.55 8.25 8.72 2vhiE1 ILE 167 HA 0.02 0.05 0.90 -0.75 4.18 4.40 2vhiE1 ILE 167 HB 0.07 0.17 -0.01 -0.04 1.89 2.08 2vhiE1 ILE 167 HG12 0.11 -0.00 -0.16 -0.04 1.49 1.39 2vhiE1 ILE 167 HG13 -0.12 -0.03 -0.09 -0.04 1.21 0.93 2vhiE1 ILE 167 HG23 0.08 -0.02 -0.15 -0.04 0.93 0.81 2vhiE1 ILE 167 HD13 0.04 0.00 -0.30 -0.04 0.88 0.58 2vhiE1 LEU 168 H 0.06 0.16 0.12 -0.55 8.37 8.16 2vhiE1 LEU 168 HA 0.05 0.18 0.89 -0.75 4.35 4.70 2vhiE1 LEU 168 HB2 0.13 -0.00 0.03 -0.04 1.64 1.76 2vhiE1 LEU 168 HB3 0.15 0.00 -0.10 -0.04 1.64 1.66 2vhiE1 LEU 168 HG 0.29 -0.05 -0.03 -0.04 1.64 1.81 2vhiE1 LEU 168 HD13 0.23 0.02 -0.05 -0.04 0.93 1.09 2vhiE1 LEU 168 HD23 0.23 0.01 -0.01 -0.04 0.89 1.08 2vhiE1 GLU 169 H 0.09 0.78 0.38 -0.55 8.60 9.31 2vhiE1 GLU 169 HA 0.12 0.37 0.92 -0.75 4.29 4.95 2vhiE1 GLU 169 HB2 0.07 -0.02 -0.14 -0.04 2.09 1.96 2vhiE1 GLU 169 HB3 0.20 -0.07 0.00 -0.04 1.99 2.08 2vhiE1 GLU 169 HG2 0.13 0.17 -0.22 -0.04 2.34 2.38 2vhiE1 GLU 169 HG3 0.08 -0.09 -0.12 -0.04 2.34 2.17 2vhiE1 ARG 170 H 0.13 0.57 0.02 -0.55 8.46 8.63 2vhiE1 ARG 170 HA 0.18 0.41 0.81 -0.75 4.34 4.98 2vhiE1 ARG 170 HB2 0.10 0.05 -0.19 -0.04 1.90 1.82 2vhiE1 ARG 170 HB3 0.10 -0.14 -0.18 -0.04 1.80 1.54 2vhiE1 ARG 170 HG2 0.10 -0.13 -0.46 -0.04 1.67 1.14 2vhiE1 ARG 170 HG3 0.10 0.22 -0.34 -0.04 1.67 1.61 2vhiE1 ARG 170 HD2 0.07 -0.11 -0.12 -0.04 3.22 3.01 2vhiE1 ARG 170 HD3 0.06 0.05 -0.06 -0.04 3.22 3.23 2vhiE1 ASP 171 H 0.32 0.90 0.03 -0.55 8.40 9.10 2vhiE1 ASP 171 HA 0.14 -0.03 0.73 -0.75 4.63 4.72 2vhiE1 ASP 171 HB2 0.23 0.05 -0.05 -0.04 2.71 2.90 2vhiE1 ASP 171 HB3 0.44 0.11 0.06 -0.04 2.70 3.27 2vhiE1 MET 172 H 0.10 0.12 0.10 -0.55 8.47 8.25 2vhiE1 MET 172 HA 0.08 0.14 0.34 -0.75 4.52 4.33 2vhiE1 MET 172 HB2 0.05 -0.09 0.15 -0.04 2.15 2.22 2vhiE1 MET 172 HB3 0.04 0.07 -0.03 -0.04 2.03 2.07 2vhiE1 MET 172 HG2 0.06 -0.01 0.02 -0.04 2.63 2.65 2vhiE1 MET 172 HG3 0.04 0.03 0.00 -0.04 2.56 2.58 2vhiE1 MET 172 HE3 0.03 0.01 -0.03 -0.04 2.10 2.08 2vhiE1 GLU 173 H 0.08 0.05 0.02 -0.55 8.60 8.20 2vhiE1 GLU 173 HA -0.02 0.11 0.32 -0.75 4.29 3.94 2vhiE1 GLU 173 HB2 -0.04 -0.03 0.03 -0.04 2.09 2.01 2vhiE1 GLU 173 HB3 -0.18 0.08 0.01 -0.04 1.99 1.85 2vhiE1 GLU 173 HG2 -0.03 0.07 0.03 -0.04 2.34 2.36 2vhiE1 GLU 173 HG3 -0.01 0.03 0.05 -0.04 2.34 2.36 2vhiE1 HIS 174 H 0.25 0.00 -0.48 -0.55 8.41 7.64 2vhiE1 HIS 174 HA 0.07 0.20 0.69 -0.75 4.63 4.84 2vhiE1 HIS 174 HB2 0.18 -0.04 0.07 -0.04 3.26 3.43 2vhiE1 HIS 174 HB3 0.16 0.08 0.10 -0.04 3.20 3.49 2vhiE1 HIS 174 HD2 0.05 0.05 -0.03 -0.04 6.97 7.00 2vhiE1 HIS 174 HE1 -0.02 0.00 -0.05 -0.04 7.75 7.64 2vhiE1 GLY 175 H 0.07 0.31 -0.25 -0.55 8.43 8.01 2vhiE1 GLY 175 HA2 0.06 0.03 0.28 -0.51 4.01 3.86 2vhiE1 GLY 175 HA3 0.08 0.04 0.27 -0.51 4.01 3.89 2vhiE1 GLU 176 H 0.11 0.23 -0.15 -0.55 8.60 8.24 2vhiE1 GLU 176 HA 0.10 0.06 0.17 -0.75 4.29 3.86 2vhiE1 GLU 176 HB2 0.05 0.11 -0.03 -0.04 2.09 2.17 2vhiE1 GLU 176 HB3 0.06 -0.05 0.10 -0.04 1.99 2.05 2vhiE1 GLU 176 HG2 0.05 -0.03 0.01 -0.04 2.34 2.33 2vhiE1 GLU 176 HG3 0.05 -0.06 -0.21 -0.04 2.34 2.08 2vhiE1 THR 177 H 0.17 0.19 -0.35 -0.55 8.28 7.74 2vhiE1 THR 177 HA -0.04 0.12 0.55 -0.75 4.39 4.28 2vhiE1 THR 177 HB -0.34 0.02 0.09 -0.04 4.32 4.05 2vhiE1 THR 177 HG23 0.03 0.02 0.02 -0.04 1.22 1.25 2vhiE1 ILE 178 H -0.20 0.18 0.27 -0.55 8.25 7.95 2vhiE1 ILE 178 HA 0.07 0.41 1.09 -0.75 4.18 5.00 2vhiE1 ILE 178 HB 0.05 0.21 0.19 -0.04 1.89 2.29 2vhiE1 ILE 178 HG12 0.08 -0.01 -0.07 -0.04 1.49 1.46 2vhiE1 ILE 178 HG13 0.01 -0.01 0.02 -0.04 1.21 1.19 2vhiE1 ILE 178 HG23 0.17 -0.03 -0.04 -0.04 0.93 0.99 2vhiE1 ILE 178 HD13 0.07 -0.01 0.07 -0.04 0.88 0.98 2vhiE1 TRP 179 H 0.17 0.51 0.42 -0.55 7.97 8.52 2vhiE1 TRP 179 HA -0.13 0.17 0.73 -0.75 4.62 4.64 2vhiE1 TRP 179 HB2 -0.09 -0.08 -0.08 -0.04 3.23 2.94 2vhiE1 TRP 179 HB3 -0.15 -0.03 -0.03 -0.04 3.23 2.97 2vhiE1 TRP 179 HD1 -0.00 0.06 -0.31 -0.04 7.22 6.92 2vhiE1 TRP 179 HE1 -0.01 -0.02 -0.15 -0.04 10.20 9.98 2vhiE1 TRP 179 HE3 -0.08 0.00 -0.09 -0.04 7.59 7.38 2vhiE1 TRP 179 HZ2 -0.05 0.01 -0.05 -0.04 7.44 7.32 2vhiE1 TRP 179 HZ3 -0.04 0.27 -0.29 -0.04 7.13 7.03 2vhiE1 TRP 179 HH2 -0.04 0.03 -0.04 -0.04 7.19 7.10 2vhiE1 ASN 180 H -0.45 0.25 0.12 -0.55 8.53 7.90 2vhiE1 ASN 180 HA -0.29 0.22 1.08 -0.75 4.76 5.02 2vhiE1 ASN 180 HB2 -1.49 0.05 0.03 -0.04 2.88 1.44 2vhiE1 ASN 180 HB3 -0.47 -0.02 0.18 -0.04 2.79 2.43 2vhiE1 ASN 180 HD21 0.02 -0.07 -0.14 -0.04 7.03 6.79 2vhiE1 ASN 180 HD22 -0.15 0.04 -0.08 -0.04 7.74 7.51 2vhiE1 THR 181 H -0.07 0.60 0.26 -0.55 8.28 8.52 2vhiE1 THR 181 HA -0.10 0.23 0.82 -0.75 4.39 4.59 2vhiE1 THR 181 HB -0.02 0.01 -0.04 -0.04 4.32 4.23 2vhiE1 THR 181 HG23 -0.03 -0.00 -0.30 -0.04 1.22 0.84 2vhiE1 ALA 182 H -0.04 0.63 0.36 -0.55 8.40 8.80 2vhiE1 ALA 182 HA -0.09 0.28 1.08 -0.75 4.34 4.85 2vhiE1 ALA 182 HB3 -0.01 -0.00 0.01 -0.04 1.41 1.36 2vhiE1 VAL 183 H -0.26 0.73 0.36 -0.55 8.24 8.52 2vhiE1 VAL 183 HA -0.17 0.18 1.04 -0.75 4.13 4.42 2vhiE1 VAL 183 HB -0.29 -0.03 0.09 -0.04 2.12 1.85 2vhiE1 VAL 183 HG13 -0.01 0.03 -0.20 -0.04 0.97 0.74 2vhiE1 VAL 183 HG23 0.03 -0.00 -0.16 -0.04 0.95 0.78 2vhiE1 VAL 184 H -0.45 0.63 0.27 -0.55 8.24 8.13 2vhiE1 VAL 184 HA -0.29 0.21 0.98 -0.75 4.13 4.27 2vhiE1 VAL 184 HB -0.97 -0.03 0.05 -0.04 2.12 1.12 2vhiE1 VAL 184 HG13 -0.34 -0.00 -0.23 -0.04 0.97 0.35 2vhiE1 VAL 184 HG23 -0.98 0.00 -0.22 -0.04 0.95 -0.29 2vhiE1 ILE 185 H -0.12 0.90 0.32 -0.55 8.25 8.80 2vhiE1 ILE 185 HA -0.09 -0.01 0.96 -0.75 4.18 4.28 2vhiE1 ILE 185 HB -0.05 0.01 0.15 -0.04 1.89 1.96 2vhiE1 ILE 185 HG12 0.06 -0.02 -0.10 -0.04 1.49 1.39 2vhiE1 ILE 185 HG13 0.02 -0.09 -0.28 -0.04 1.21 0.82 2vhiE1 ILE 185 HG23 -0.01 0.03 -0.19 -0.04 0.93 0.73 2vhiE1 ILE 185 HD13 -0.02 -0.01 -0.12 -0.04 0.88 0.69 2vhiE1 SER 186 H -0.03 0.48 0.18 -0.55 8.46 8.54 2vhiE1 SER 186 HA 0.01 0.05 0.44 -0.75 4.49 4.23 2vhiE1 SER 186 HB2 0.01 0.04 0.11 -0.04 3.95 4.06 2vhiE1 SER 186 HB3 0.01 0.36 0.18 -0.04 3.93 4.43 2vhiE1 ASN 187 H 0.08 0.10 0.07 -0.55 8.53 8.23 2vhiE1 ASN 187 HA 0.06 0.41 0.22 -0.75 4.76 4.70 2vhiE1 ASN 187 HB2 0.19 0.09 -0.27 -0.04 2.88 2.85 2vhiE1 ASN 187 HB3 0.31 -0.06 -0.29 -0.04 2.79 2.70 2vhiE1 ASN 187 HD21 -0.03 -0.05 -0.07 -0.04 7.03 6.84 2vhiE1 ASN 187 HD22 0.12 0.10 -0.14 -0.04 7.74 7.77 2vhiE1 SER 188 H 0.02 -0.07 -0.43 -0.55 8.46 7.44 2vhiE1 SER 188 HA 0.02 0.22 0.65 -0.75 4.49 4.62 2vhiE1 SER 188 HB2 0.01 0.05 0.09 -0.04 3.95 4.06 2vhiE1 SER 188 HB3 0.01 -0.00 0.05 -0.04 3.93 3.95 2vhiE1 GLY 189 H 0.01 0.38 -0.45 -0.55 8.43 7.82 2vhiE1 GLY 189 HA2 -0.01 0.16 0.29 -0.51 4.01 3.94 2vhiE1 GLY 189 HA3 -0.00 0.16 0.75 -0.51 4.01 4.40 2vhiE1 ARG 190 H 0.02 -0.02 -0.28 -0.55 8.46 7.62 2vhiE1 ARG 190 HA 0.06 0.12 0.50 -0.75 4.34 4.26 2vhiE1 ARG 190 HB2 0.04 -0.05 -0.01 -0.04 1.90 1.83 2vhiE1 ARG 190 HB3 0.06 0.06 -0.01 -0.04 1.80 1.87 2vhiE1 ARG 190 HG2 0.03 0.05 -0.15 -0.04 1.67 1.55 2vhiE1 ARG 190 HG3 0.02 0.01 -0.13 -0.04 1.67 1.53 2vhiE1 ARG 190 HD2 0.03 -0.00 -0.03 -0.04 3.22 3.18 2vhiE1 ARG 190 HD3 0.02 0.03 -0.04 -0.04 3.22 3.18 2vhiE1 TYR 191 H 0.18 0.14 0.16 -0.55 8.29 8.23 2vhiE1 TYR 191 HA 0.01 0.05 0.59 -0.75 4.56 4.46 2vhiE1 TYR 191 HB2 0.02 0.09 0.14 -0.04 3.06 3.28 2vhiE1 TYR 191 HB3 0.02 -0.03 0.18 -0.04 2.98 3.11 2vhiE1 TYR 191 HD2 0.04 0.09 -0.16 -0.04 7.15 7.08 2vhiE1 TYR 191 HE2 0.04 0.05 -0.30 -0.04 6.85 6.61 2vhiE1 LEU 192 H -0.24 0.45 0.47 -0.55 8.37 8.50 2vhiE1 LEU 192 HA 0.04 0.09 0.61 -0.75 4.35 4.33 2vhiE1 LEU 192 HB2 -0.16 0.16 0.09 -0.04 1.64 1.70 2vhiE1 LEU 192 HB3 0.05 -0.02 -0.08 -0.04 1.64 1.55 2vhiE1 LEU 192 HG 0.02 -0.02 -0.01 -0.04 1.64 1.59 2vhiE1 LEU 192 HD13 -0.01 -0.03 -0.16 -0.04 0.93 0.70 2vhiE1 LEU 192 HD23 0.12 0.01 -0.01 -0.04 0.89 0.96 2vhiE1 GLY 193 H -0.79 0.27 0.18 -0.55 8.43 7.55 2vhiE1 GLY 193 HA2 0.04 -0.00 0.31 -0.51 4.01 3.85 2vhiE1 GLY 193 HA3 0.22 0.18 0.51 -0.51 4.01 4.41 2vhiE1 LYS 194 H 0.17 0.24 0.20 -0.55 8.42 8.47 2vhiE1 LYS 194 HA -0.01 0.27 1.08 -0.75 4.32 4.91 2vhiE1 LYS 194 HB2 0.03 0.04 0.03 -0.04 1.87 1.92 2vhiE1 LYS 194 HB3 0.15 -0.05 -0.18 -0.04 1.79 1.67 2vhiE1 LYS 194 HG2 0.09 0.01 -0.02 -0.04 1.46 1.50 2vhiE1 LYS 194 HG3 -0.02 -0.02 -0.21 -0.04 1.46 1.17 2vhiE1 LYS 194 HD2 0.10 -0.03 -0.11 -0.04 1.69 1.61 2vhiE1 LYS 194 HD3 0.16 -0.02 -0.08 -0.04 1.68 1.70 2vhiE1 LYS 194 HE2 -0.16 0.02 -0.12 -0.04 2.99 2.69 2vhiE1 LYS 194 HE3 -0.06 -0.06 -0.09 -0.04 2.99 2.74 2vhiE1 HIS 195 H 0.07 0.59 0.30 -0.55 8.41 8.82 2vhiE1 HIS 195 HA 0.03 0.08 0.59 -0.75 4.63 4.57 2vhiE1 HIS 195 HB2 0.22 0.14 -0.02 -0.04 3.26 3.56 2vhiE1 HIS 195 HB3 0.13 -0.05 0.02 -0.04 3.20 3.26 2vhiE1 HIS 195 HD2 0.07 -0.10 -0.11 -0.04 6.97 6.78 2vhiE1 HIS 195 HE1 -0.06 0.22 0.02 -0.04 7.75 7.89 2vhiE1 ARG 196 H -0.35 0.12 0.11 -0.55 8.46 7.79 2vhiE1 ARG 196 HA -0.24 0.23 0.90 -0.75 4.34 4.48 2vhiE1 ARG 196 HB2 -0.28 -0.17 0.12 -0.04 1.90 1.52 2vhiE1 ARG 196 HB3 -0.09 0.12 0.00 -0.04 1.80 1.79 2vhiE1 ARG 196 HG2 -0.19 0.02 -0.15 -0.04 1.67 1.30 2vhiE1 ARG 196 HG3 -0.23 -0.07 -0.26 -0.04 1.67 1.08 2vhiE1 ARG 196 HD2 -0.41 0.01 -0.08 -0.04 3.22 2.69 2vhiE1 ARG 196 HD3 -0.77 -0.06 -0.03 -0.04 3.22 2.31 2vhiE1 LYS 197 H -0.16 0.67 0.37 -0.55 8.42 8.75 2vhiE1 LYS 197 HA -0.05 -0.07 0.45 -0.75 4.32 3.89 2vhiE1 LYS 197 HB2 -0.06 0.03 0.16 -0.04 1.87 1.97 2vhiE1 LYS 197 HB3 -0.02 0.01 0.16 -0.04 1.79 1.90 2vhiE1 LYS 197 HG2 0.12 0.07 -0.23 -0.04 1.46 1.38 2vhiE1 LYS 197 HG3 0.10 0.00 0.08 -0.04 1.46 1.61 2vhiE1 LYS 197 HD2 0.08 -0.06 -0.06 -0.04 1.69 1.60 2vhiE1 LYS 197 HD3 0.18 0.01 -0.03 -0.04 1.68 1.79 2vhiE1 LYS 197 HE2 0.21 0.27 0.15 -0.04 2.99 3.58 2vhiE1 LYS 197 HE3 0.19 0.13 -0.03 -0.04 2.99 3.24 2vhiE1 ASN 198 H 0.04 0.08 0.28 -0.55 8.53 8.38 2vhiE1 ASN 198 HA -0.13 0.10 0.60 -0.75 4.76 4.58 2vhiE1 ASN 198 HB2 0.01 -0.07 0.19 -0.04 2.88 2.97 2vhiE1 ASN 198 HB3 -0.36 0.01 0.07 -0.04 2.79 2.47 2vhiE1 ASN 198 HD21 -0.68 0.61 0.13 -0.04 7.03 7.04 2vhiE1 ASN 198 HD22 -0.45 -0.11 0.04 -0.04 7.74 7.18 2vhiE1 HIS 199 H 0.16 0.05 -0.02 -0.55 8.41 8.06 2vhiE1 HIS 199 HA 0.01 0.23 0.94 -0.75 4.63 5.05 2vhiE1 HIS 199 HB2 0.22 -0.11 -0.01 -0.04 3.26 3.32 2vhiE1 HIS 199 HB3 0.24 0.06 -0.14 -0.04 3.20 3.31 2vhiE1 HIS 199 HD2 -0.02 -0.07 0.00 -0.04 6.97 6.84 2vhiE1 HIS 199 HE1 -0.31 0.03 -0.06 -0.04 7.75 7.38 2vhiE1 ILE 200 H 0.03 0.23 0.08 -0.55 8.25 8.04 2vhiE1 ILE 200 HA -0.00 0.17 0.90 -0.75 4.18 4.50 2vhiE1 ILE 200 HB 0.00 -0.02 -0.03 -0.04 1.89 1.80 2vhiE1 ILE 200 HG12 0.27 0.17 -0.25 -0.04 1.49 1.65 2vhiE1 ILE 200 HG13 0.23 -0.07 -0.14 -0.04 1.21 1.20 2vhiE1 ILE 200 HG23 -0.11 0.04 -0.26 -0.04 0.93 0.55 2vhiE1 ILE 200 HD13 0.12 -0.08 -0.44 -0.04 0.88 0.44 2vhiE1 PRO 201 HA -1.04 0.07 0.48 -0.51 4.44 3.44 2vhiE1 PRO 201 HB2 -0.11 0.09 0.08 -0.04 2.28 2.30 2vhiE1 PRO 201 HB3 -0.64 0.02 0.14 -0.04 2.02 1.50 2vhiE1 PRO 201 HG2 -0.01 -0.02 0.10 -0.04 2.03 2.07 2vhiE1 PRO 201 HG3 0.05 -0.01 0.13 -0.04 2.03 2.15 2vhiE1 PRO 201 HD2 -0.05 0.08 0.20 -0.04 3.68 3.86 2vhiE1 PRO 201 HD3 -0.06 0.21 0.30 -0.04 3.65 4.06 2vhiE1 ARG 202 H -0.15 0.06 0.24 -0.55 8.46 8.05 2vhiE1 ARG 202 HA -0.03 0.15 0.71 -0.75 4.34 4.42 2vhiE1 ARG 202 HB2 -0.02 0.02 0.15 -0.04 1.90 2.01 2vhiE1 ARG 202 HB3 -0.06 0.01 0.04 -0.04 1.80 1.75 2vhiE1 ARG 202 HG2 -0.03 -0.05 0.01 -0.04 1.67 1.56 2vhiE1 ARG 202 HG3 -0.01 0.03 -0.02 -0.04 1.67 1.62 2vhiE1 ARG 202 HD2 -0.13 0.01 -0.26 -0.04 3.22 2.80 2vhiE1 ARG 202 HD3 -0.04 0.02 -0.00 -0.04 3.22 3.15 2vhiE1 VAL 203 H 0.03 -0.04 0.14 -0.55 8.24 7.82 2vhiE1 VAL 203 HA 0.09 0.12 0.57 -0.75 4.13 4.15 2vhiE1 VAL 203 HB 0.11 0.05 0.10 -0.04 2.12 2.34 2vhiE1 VAL 203 HG13 0.16 -0.03 0.14 -0.04 0.97 1.20 2vhiE1 VAL 203 HG23 0.15 -0.01 -0.11 -0.04 0.95 0.94 2vhiE1 GLY 204 H 0.09 0.22 0.18 -0.55 8.43 8.37 2vhiE1 GLY 204 HA2 0.09 0.20 0.37 -0.51 4.01 4.17 2vhiE1 GLY 204 HA3 0.17 -0.10 0.31 -0.51 4.01 3.88 2vhiE1 ASP 205 H 0.10 0.07 0.21 -0.55 8.40 8.24 2vhiE1 ASP 205 HA -0.09 0.25 0.63 -0.75 4.63 4.66 2vhiE1 ASP 205 HB2 -0.15 -0.05 0.10 -0.04 2.71 2.57 2vhiE1 ASP 205 HB3 -0.58 -0.04 0.09 -0.04 2.70 2.14 2vhiE1 PHE 206 H 0.26 0.40 -0.26 -0.55 8.34 8.19 2vhiE1 PHE 206 HA 0.20 0.08 0.48 -0.75 4.62 4.63 2vhiE1 PHE 206 HB2 0.12 0.15 0.15 -0.04 3.15 3.52 2vhiE1 PHE 206 HB3 0.17 -0.07 0.08 -0.04 3.06 3.20 2vhiE1 PHE 206 HD2 0.32 0.06 0.05 -0.04 7.28 7.67 2vhiE1 PHE 206 HE2 0.03 0.08 0.04 -0.04 7.38 7.48 2vhiE1 PHE 206 HZ -0.07 -0.43 0.13 -0.04 7.32 6.91 2vhiE1 ASN 207 H -0.01 0.48 -0.36 -0.55 8.53 8.09 2vhiE1 ASN 207 HA 0.01 0.12 0.51 -0.75 4.76 4.65 2vhiE1 ASN 207 HB2 0.04 0.02 0.22 -0.04 2.88 3.12 2vhiE1 ASN 207 HB3 -0.02 -0.02 0.05 -0.04 2.79 2.76 2vhiE1 ASN 207 HD21 -0.04 0.09 -0.03 -0.04 7.03 7.02 2vhiE1 ASN 207 HD22 -0.02 -0.06 -0.08 -0.04 7.74 7.54 2vhiE1 GLU 208 H -0.04 0.52 -0.28 -0.55 8.60 8.25 2vhiE1 GLU 208 HA -0.32 0.07 0.49 -0.75 4.29 3.78 2vhiE1 GLU 208 HB2 -0.17 0.15 0.07 -0.04 2.09 2.09 2vhiE1 GLU 208 HB3 -0.64 -0.03 0.05 -0.04 1.99 1.32 2vhiE1 GLU 208 HG2 -0.53 -0.04 -0.10 -0.04 2.34 1.63 2vhiE1 GLU 208 HG3 0.06 -0.01 -0.18 -0.04 2.34 2.16 2vhiE1 SER 209 H -0.13 0.30 -0.05 -0.55 8.46 8.03 2vhiE1 SER 209 HA -0.17 0.22 0.43 -0.75 4.49 4.22 2vhiE1 SER 209 HB2 -0.09 0.01 0.01 -0.04 3.95 3.84 2vhiE1 SER 209 HB3 -0.10 0.06 -0.05 -0.04 3.93 3.79 2vhiE1 THR 210 H -0.09 0.19 -0.66 -0.55 8.28 7.17 2vhiE1 THR 210 HA -0.19 0.10 0.52 -0.75 4.39 4.07 2vhiE1 THR 210 HB -0.25 0.10 0.00 -0.04 4.32 4.13 2vhiE1 THR 210 HG23 -0.32 -0.01 0.01 -0.04 1.22 0.86 2vhiE1 TYR 211 H -0.15 0.32 -0.28 -0.55 8.29 7.64 2vhiE1 TYR 211 HA -0.12 0.14 0.63 -0.75 4.56 4.45 2vhiE1 TYR 211 HB2 -0.52 0.07 0.09 -0.04 3.06 2.65 2vhiE1 TYR 211 HB3 0.08 -0.07 -0.05 -0.04 2.98 2.91 2vhiE1 TYR 211 HD2 -0.04 0.06 0.01 -0.04 7.15 7.14 2vhiE1 TYR 211 HE2 -0.10 0.10 -0.03 -0.04 6.85 6.78 2vhiE1 TYR 212 H -0.39 0.39 0.08 -0.55 8.29 7.83 2vhiE1 TYR 212 HA -0.30 0.13 0.62 -0.75 4.56 4.25 2vhiE1 TYR 212 HB2 -0.22 0.03 0.04 -0.04 3.06 2.87 2vhiE1 TYR 212 HB3 -0.22 0.16 -0.32 -0.04 2.98 2.56 2vhiE1 TYR 212 HD2 -0.01 0.13 -0.32 -0.04 7.15 6.92 2vhiE1 TYR 212 HE2 -0.22 -0.03 -0.10 -0.04 6.85 6.46 2vhiE1 MET 213 H -0.40 0.14 0.13 -0.55 8.47 7.78 2vhiE1 MET 213 HA -0.05 0.13 0.58 -0.75 4.52 4.42 2vhiE1 MET 213 HB2 -0.37 -0.01 0.09 -0.04 2.15 1.82 2vhiE1 MET 213 HB3 0.01 0.03 0.13 -0.04 2.03 2.15 2vhiE1 MET 213 HG2 -0.16 0.01 -0.03 -0.04 2.63 2.40 2vhiE1 MET 213 HG3 -0.10 0.00 0.03 -0.04 2.56 2.45 2vhiE1 MET 213 HE3 0.01 0.00 0.04 -0.04 2.10 2.11 2vhiE1 GLU 214 H 0.04 0.09 0.14 -0.55 8.60 8.33 2vhiE1 GLU 214 HA 0.06 0.08 0.47 -0.75 4.29 4.15 2vhiE1 GLU 214 HB2 0.02 -0.06 0.14 -0.04 2.09 2.15 2vhiE1 GLU 214 HB3 -0.04 0.15 0.07 -0.04 1.99 2.14 2vhiE1 GLU 214 HG2 -0.05 0.01 0.11 -0.04 2.34 2.37 2vhiE1 GLU 214 HG3 -0.04 -0.02 0.12 -0.04 2.34 2.36 2vhiE1 GLY 215 H 0.03 0.43 0.25 -0.55 8.43 8.59 2vhiE1 GLY 215 HA2 0.09 -0.08 0.32 -0.51 4.01 3.83 2vhiE1 GLY 215 HA3 -0.07 0.12 0.01 -0.51 4.01 3.56 2vhiE1 ASN 216 H -0.24 0.09 0.14 -0.55 8.53 7.97 2vhiE1 ASN 216 HA -0.07 0.23 0.75 -0.75 4.76 4.91 2vhiE1 ASN 216 HB2 -0.11 0.01 0.18 -0.04 2.88 2.91 2vhiE1 ASN 216 HB3 -0.04 0.09 0.02 -0.04 2.79 2.83 2vhiE1 ASN 216 HD21 -0.70 -0.03 -0.03 -0.04 7.03 6.23 2vhiE1 ASN 216 HD22 -0.05 0.04 -0.00 -0.04 7.74 7.69 2vhiE1 THR 217 H -0.14 0.13 -0.16 -0.55 8.28 7.57 2vhiE1 THR 217 HA -0.08 0.15 0.57 -0.75 4.39 4.28 2vhiE1 THR 217 HB 0.12 0.13 0.12 -0.04 4.32 4.65 2vhiE1 THR 217 HG23 -0.13 -0.02 -0.02 -0.04 1.22 1.01 2vhiE1 GLY 218 H -0.09 0.06 -0.29 -0.55 8.43 7.56 2vhiE1 GLY 218 HA2 -0.10 0.04 0.23 -0.51 4.01 3.68 2vhiE1 GLY 218 HA3 -0.02 0.07 0.50 -0.51 4.01 4.05 2vhiE1 HIS 219 H 0.03 0.14 0.05 -0.55 8.41 8.08 2vhiE1 HIS 219 HA -0.23 0.18 0.80 -0.75 4.63 4.62 2vhiE1 HIS 219 HB2 -0.20 0.00 0.02 -0.04 3.26 3.05 2vhiE1 HIS 219 HB3 -0.59 0.02 -0.05 -0.04 3.20 2.53 2vhiE1 HIS 219 HD2 -1.21 0.01 -0.03 -0.04 6.97 5.70 2vhiE1 HIS 219 HE1 -0.10 -0.01 -0.09 -0.04 7.75 7.51 2vhiE1 PRO 220 HA -0.08 0.04 0.30 -0.51 4.44 4.18 2vhiE1 PRO 220 HB2 -0.58 0.01 -0.12 -0.04 2.28 1.54 2vhiE1 PRO 220 HB3 -0.16 0.04 0.08 -0.04 2.02 1.94 2vhiE1 PRO 220 HG2 -0.04 -0.04 0.01 -0.04 2.03 1.91 2vhiE1 PRO 220 HG3 0.11 0.06 0.07 -0.04 2.03 2.22 2vhiE1 PRO 220 HD2 -0.21 0.10 -0.11 -0.04 3.68 3.42 2vhiE1 PRO 220 HD3 0.06 0.26 -0.34 -0.04 3.65 3.59 2vhiE1 VAL 221 H -0.14 0.18 0.19 -0.55 8.24 7.92 2vhiE1 VAL 221 HA 0.00 0.23 0.84 -0.75 4.13 4.45 2vhiE1 VAL 221 HB 0.02 0.04 0.06 -0.04 2.12 2.20 2vhiE1 VAL 221 HG13 0.05 -0.02 -0.40 -0.04 0.97 0.57 2vhiE1 VAL 221 HG23 0.15 0.01 -0.28 -0.04 0.95 0.79 2vhiE1 PHE 222 H 0.24 0.82 0.25 -0.55 8.34 9.10 2vhiE1 PHE 222 HA 0.00 0.12 0.75 -0.75 4.62 4.74 2vhiE1 PHE 222 HB2 -0.01 -0.03 0.09 -0.04 3.15 3.16 2vhiE1 PHE 222 HB3 -0.02 -0.02 -0.11 -0.04 3.06 2.87 2vhiE1 PHE 222 HD2 -0.04 0.11 -0.14 -0.04 7.28 7.16 2vhiE1 PHE 222 HE2 -0.06 -0.04 -0.26 -0.04 7.38 6.98 2vhiE1 PHE 222 HZ -0.00 0.06 -0.44 -0.04 7.32 6.89 2vhiE1 GLU 223 H 0.06 0.22 0.13 -0.55 8.60 8.46 2vhiE1 GLU 223 HA 0.07 0.14 0.82 -0.75 4.29 4.57 2vhiE1 GLU 223 HB2 0.03 0.05 0.09 -0.04 2.09 2.22 2vhiE1 GLU 223 HB3 0.03 -0.03 0.22 -0.04 1.99 2.16 2vhiE1 GLU 223 HG2 0.02 0.01 -0.18 -0.04 2.34 2.15 2vhiE1 GLU 223 HG3 0.03 0.01 -0.03 -0.04 2.34 2.32 2vhiE1 THR 224 H 0.09 0.52 0.19 -0.55 8.28 8.53 2vhiE1 THR 224 HA 0.01 0.15 0.83 -0.75 4.39 4.62 2vhiE1 THR 224 HB 0.05 -0.10 0.13 -0.04 4.32 4.36 2vhiE1 THR 224 HG23 0.07 0.02 -0.12 -0.04 1.22 1.15 2vhiE1 GLU 225 H -0.21 0.14 0.13 -0.55 8.60 8.11 2vhiE1 GLU 225 HA -0.15 0.14 0.44 -0.75 4.29 3.97 2vhiE1 GLU 225 HB2 -0.32 0.05 0.18 -0.04 2.09 1.96 2vhiE1 GLU 225 HB3 -0.23 -0.00 0.11 -0.04 1.99 1.82 2vhiE1 GLU 225 HG2 -0.54 -0.10 0.06 -0.04 2.34 1.72 2vhiE1 GLU 225 HG3 -1.79 0.07 -0.19 -0.04 2.34 0.38 2vhiE1 PHE 226 H -0.03 -0.00 -0.66 -0.55 8.34 7.10 2vhiE1 PHE 226 HA 0.02 0.23 0.79 -0.75 4.62 4.90 2vhiE1 PHE 226 HB2 0.02 -0.03 -0.03 -0.04 3.15 3.08 2vhiE1 PHE 226 HB3 0.02 -0.01 0.12 -0.04 3.06 3.14 2vhiE1 PHE 226 HD2 0.01 -0.02 0.03 -0.04 7.28 7.26 2vhiE1 PHE 226 HE2 0.00 -0.02 0.02 -0.04 7.38 7.34 2vhiE1 PHE 226 HZ 0.01 0.13 0.05 -0.04 7.32 7.46 2vhiE1 GLY 227 H 0.06 0.34 -0.18 -0.55 8.43 8.10 2vhiE1 GLY 227 HA2 0.08 0.01 0.28 -0.51 4.01 3.86 2vhiE1 GLY 227 HA3 0.10 0.19 0.79 -0.51 4.01 4.58 2vhiE1 LYS 228 H 0.08 0.15 0.14 -0.55 8.42 8.24 2vhiE1 LYS 228 HA 0.09 0.27 0.89 -0.75 4.32 4.83 2vhiE1 LYS 228 HB2 0.08 0.03 0.19 -0.04 1.87 2.12 2vhiE1 LYS 228 HB3 0.08 0.06 -0.11 -0.04 1.79 1.78 2vhiE1 LYS 228 HG2 0.05 0.00 -0.16 -0.04 1.46 1.31 2vhiE1 LYS 228 HG3 0.06 -0.10 -0.06 -0.04 1.46 1.32 2vhiE1 LYS 228 HD2 0.06 0.01 0.03 -0.04 1.69 1.75 2vhiE1 LYS 228 HD3 0.05 0.13 -0.02 -0.04 1.68 1.80 2vhiE1 LYS 228 HE2 0.03 0.00 -0.02 -0.04 2.99 2.96 2vhiE1 LYS 228 HE3 0.04 -0.06 -0.03 -0.04 2.99 2.89 2vhiE1 LEU 229 H 0.15 0.64 0.36 -0.55 8.37 8.98 2vhiE1 LEU 229 HA 0.12 0.25 0.82 -0.75 4.35 4.78 2vhiE1 LEU 229 HB2 0.15 -0.08 -0.04 -0.04 1.64 1.63 2vhiE1 LEU 229 HB3 0.34 0.03 0.02 -0.04 1.64 1.98 2vhiE1 LEU 229 HG 0.15 0.18 -0.12 -0.04 1.64 1.81 2vhiE1 LEU 229 HD13 0.09 -0.04 -0.10 -0.04 0.93 0.84 2vhiE1 LEU 229 HD23 0.23 -0.00 -0.29 -0.04 0.89 0.79 2vhiE1 ALA 230 H 0.06 0.62 0.47 -0.55 8.40 9.00 2vhiE1 ALA 230 HA 0.05 0.14 0.68 -0.75 4.34 4.45 2vhiE1 ALA 230 HB3 -0.46 0.03 -0.06 -0.04 1.41 0.88 2vhiE1 VAL 231 H -0.28 0.30 0.09 -0.55 8.24 7.79 2vhiE1 VAL 231 HA -0.06 0.29 0.97 -0.75 4.13 4.57 2vhiE1 VAL 231 HB 0.08 -0.04 -0.05 -0.04 2.12 2.06 2vhiE1 VAL 231 HG13 0.02 -0.01 -0.16 -0.04 0.97 0.79 2vhiE1 VAL 231 HG23 -0.07 0.01 -0.27 -0.04 0.95 0.58 2vhiE1 ASN 232 H -0.15 0.83 0.15 -0.55 8.53 8.82 2vhiE1 ASN 232 HA 0.07 0.05 0.68 -0.75 4.76 4.80 2vhiE1 ASN 232 HB2 -0.43 0.03 -0.18 -0.04 2.88 2.26 2vhiE1 ASN 232 HB3 -0.59 0.09 -0.01 -0.04 2.79 2.24 2vhiE1 ASN 232 HD21 -1.64 0.19 -0.25 -0.04 7.03 5.30 2vhiE1 ASN 232 HD22 -1.99 0.01 -0.20 -0.04 7.74 5.53 2vhiE1 ILE 233 H 0.12 0.10 0.01 -0.55 8.25 7.94 2vhiE1 ILE 233 HA 0.06 0.23 0.46 -0.75 4.18 4.18 2vhiE1 ILE 233 HB 0.06 -0.11 0.11 -0.04 1.89 1.92 2vhiE1 ILE 233 HG12 0.07 0.05 -0.22 -0.04 1.49 1.35 2vhiE1 ILE 233 HG13 0.13 0.04 -0.13 -0.04 1.21 1.21 2vhiE1 ILE 233 HG23 0.07 -0.00 -0.12 -0.04 0.93 0.83 2vhiE1 ILE 233 HD13 -0.05 -0.01 -0.06 -0.04 0.88 0.73 2vhiE1 CYS 234 H 0.10 0.69 0.24 -0.55 8.50 8.98 2vhiE1 CYS 234 HA 0.16 0.09 0.40 -0.75 4.58 4.48 2vhiE1 CYS 234 HB2 0.14 0.04 0.16 -0.04 2.97 3.27 2vhiE1 CYS 234 HB3 0.17 -0.01 -0.11 -0.04 2.97 2.98 2vhiE1 TYR 235 H 0.30 0.16 0.20 -0.55 8.29 8.39 2vhiE1 TYR 235 HA 0.26 0.05 0.43 -0.75 4.56 4.54 2vhiE1 TYR 235 HB2 0.09 -0.04 0.19 -0.04 3.06 3.27 2vhiE1 TYR 235 HB3 0.15 0.28 0.13 -0.04 2.98 3.50 2vhiE1 TYR 235 HD2 0.09 0.01 -0.20 -0.04 7.15 7.01 2vhiE1 TYR 235 HE2 0.11 0.01 -0.08 -0.04 6.85 6.86 2vhiE1 GLY 236 H 0.24 0.48 -0.14 -0.55 8.43 8.46 2vhiE1 GLY 236 HA2 0.14 -0.00 0.38 -0.51 4.01 4.02 2vhiE1 GLY 236 HA3 0.11 0.00 0.19 -0.51 4.01 3.80 2vhiE1 ARG 237 H 0.05 0.54 -0.67 -0.55 8.46 7.82 2vhiE1 ARG 237 HA 0.05 0.02 0.29 -0.75 4.34 3.95 2vhiE1 ARG 237 HB2 0.09 0.61 0.13 -0.04 1.90 2.68 2vhiE1 ARG 237 HB3 -0.16 -0.06 -0.10 -0.04 1.80 1.44 2vhiE1 ARG 237 HG2 0.07 -0.07 -0.11 -0.04 1.67 1.52 2vhiE1 ARG 237 HG3 0.14 0.00 -0.05 -0.04 1.67 1.72 2vhiE1 ARG 237 HD2 -0.14 -0.02 -0.14 -0.04 3.22 2.88 2vhiE1 ARG 237 HD3 0.14 0.00 -0.09 -0.04 3.22 3.24 2vhiE1 HIS 238 H 0.05 0.59 -0.26 -0.55 8.41 8.25 2vhiE1 HIS 238 HA -0.06 0.10 0.34 -0.75 4.63 4.26 2vhiE1 HIS 238 HB2 -0.63 0.07 0.03 -0.04 3.26 2.69 2vhiE1 HIS 238 HB3 -0.39 -0.03 0.08 -0.04 3.20 2.83 2vhiE1 HIS 238 HD2 -0.27 0.12 0.13 -0.04 6.97 6.91 2vhiE1 HIS 238 HE1 -0.01 -0.01 -0.03 -0.04 7.75 7.65 2vhiE1 HIS 239 H -0.01 0.36 -0.44 -0.55 8.41 7.78 2vhiE1 HIS 239 HA -0.08 0.24 0.85 -0.75 4.63 4.89 2vhiE1 HIS 239 HB2 -0.58 0.03 0.17 -0.04 3.26 2.84 2vhiE1 HIS 239 HB3 -0.29 -0.09 0.05 -0.04 3.20 2.83 2vhiE1 HIS 239 HD2 -0.39 0.01 -0.09 -0.04 6.97 6.45 2vhiE1 HIS 239 HE1 0.08 0.02 -0.07 -0.04 7.75 7.74 2vhiE1 PRO 240 HA 0.44 0.09 0.34 -0.51 4.44 4.80 2vhiE1 PRO 240 HB2 0.02 0.02 -0.04 -0.04 2.28 2.24 2vhiE1 PRO 240 HB3 0.02 0.07 0.02 -0.04 2.02 2.09 2vhiE1 PRO 240 HG2 -0.01 0.05 0.04 -0.04 2.03 2.07 2vhiE1 PRO 240 HG3 0.04 0.09 -0.02 -0.04 2.03 2.09 2vhiE1 PRO 240 HD2 0.00 0.04 0.22 -0.04 3.68 3.90 2vhiE1 PRO 240 HD3 -0.02 0.65 0.23 -0.04 3.65 4.47 2vhiE1 GLN 241 H 0.06 0.13 -0.28 -0.55 8.47 7.84 2vhiE1 GLN 241 HA 0.04 0.13 0.51 -0.75 4.36 4.29 2vhiE1 GLN 241 HB2 0.00 0.05 0.03 -0.04 2.15 2.20 2vhiE1 GLN 241 HB3 -0.03 0.02 0.03 -0.04 2.02 2.00 2vhiE1 GLN 241 HG2 0.05 0.04 -0.35 -0.04 2.40 2.10 2vhiE1 GLN 241 HG3 -0.06 0.05 -0.08 -0.04 2.39 2.26 2vhiE1 GLN 241 HE21 0.15 0.00 -0.04 -0.04 6.97 7.04 2vhiE1 GLN 241 HE22 0.10 0.04 -0.07 -0.04 7.69 7.72 2vhiE1 ASN 242 H 0.10 0.27 -0.35 -0.55 8.53 8.00 2vhiE1 ASN 242 HA 0.12 0.05 0.48 -0.75 4.76 4.66 2vhiE1 ASN 242 HB2 0.03 -0.06 0.17 -0.04 2.88 2.97 2vhiE1 ASN 242 HB3 -0.12 0.12 0.15 -0.04 2.79 2.90 2vhiE1 ASN 242 HD21 0.23 -0.15 0.04 -0.04 7.03 7.10 2vhiE1 ASN 242 HD22 -0.01 0.18 0.03 -0.04 7.74 7.91 2vhiE1 TRP 243 H 0.14 0.35 -0.04 -0.55 7.97 7.88 2vhiE1 TRP 243 HA 0.40 0.01 0.26 -0.75 4.62 4.54 2vhiE1 TRP 243 HB2 0.07 0.10 0.01 -0.04 3.23 3.36 2vhiE1 TRP 243 HB3 0.23 0.04 -0.09 -0.04 3.23 3.36 2vhiE1 TRP 243 HD1 0.01 -0.09 -0.20 -0.04 7.22 6.89 2vhiE1 TRP 243 HE1 -0.06 0.48 -0.07 -0.04 10.20 10.51 2vhiE1 TRP 243 HE3 0.18 -0.01 -0.14 -0.04 7.59 7.58 2vhiE1 TRP 243 HZ2 -0.11 -0.05 -0.09 -0.04 7.44 7.15 2vhiE1 TRP 243 HZ3 -0.09 0.09 -0.18 -0.04 7.13 6.90 2vhiE1 TRP 243 HH2 -0.11 -0.05 -0.13 -0.04 7.19 6.86 2vhiE1 MET 244 H 0.22 0.37 -0.57 -0.55 8.47 7.93 2vhiE1 MET 244 HA 0.07 0.04 0.26 -0.75 4.52 4.14 2vhiE1 MET 244 HB2 0.02 0.05 0.05 -0.04 2.15 2.23 2vhiE1 MET 244 HB3 0.03 0.04 0.13 -0.04 2.03 2.20 2vhiE1 MET 244 HG2 -0.02 -0.00 -0.21 -0.04 2.63 2.35 2vhiE1 MET 244 HG3 -0.02 -0.04 -0.05 -0.04 2.56 2.41 2vhiE1 MET 244 HE3 -0.08 -0.00 -0.06 -0.04 2.10 1.92 2vhiE1 MET 245 H -0.09 0.46 -0.30 -0.55 8.47 7.99 2vhiE1 MET 245 HA -0.15 0.01 0.35 -0.75 4.52 3.97 2vhiE1 MET 245 HB2 -0.50 0.08 0.11 -0.04 2.15 1.80 2vhiE1 MET 245 HB3 -1.21 0.05 0.07 -0.04 2.03 0.90 2vhiE1 MET 245 HG2 -0.91 -0.04 -0.04 -0.04 2.63 1.60 2vhiE1 MET 245 HG3 -0.52 0.02 -0.10 -0.04 2.56 1.91 2vhiE1 MET 245 HE3 -0.07 -0.00 -0.05 -0.04 2.10 1.94 2vhiE1 PHE 246 H -0.04 0.38 -0.14 -0.55 8.34 7.99 2vhiE1 PHE 246 HA 0.08 0.13 0.40 -0.75 4.62 4.48 2vhiE1 PHE 246 HB2 0.24 0.14 -0.02 -0.04 3.15 3.47 2vhiE1 PHE 246 HB3 0.11 -0.06 -0.16 -0.04 3.06 2.91 2vhiE1 PHE 246 HD2 0.04 0.07 -0.22 -0.04 7.28 7.13 2vhiE1 PHE 246 HE2 -0.21 -0.06 -0.18 -0.04 7.38 6.89 2vhiE1 PHE 246 HZ -0.24 -0.01 0.01 -0.04 7.32 7.04 2vhiE1 GLY 247 H 0.35 0.42 -0.38 -0.55 8.43 8.28 2vhiE1 GLY 247 HA2 0.35 0.05 0.37 -0.51 4.01 4.26 2vhiE1 GLY 247 HA3 0.13 0.12 0.25 -0.51 4.01 4.00 2vhiE1 LEU 248 H 0.05 0.53 0.00 -0.55 8.37 8.41 2vhiE1 LEU 248 HA 0.03 0.01 0.40 -0.75 4.35 4.04 2vhiE1 LEU 248 HB2 -0.03 0.10 0.13 -0.04 1.64 1.80 2vhiE1 LEU 248 HB3 -0.01 -0.07 0.05 -0.04 1.64 1.57 2vhiE1 LEU 248 HG -0.01 0.18 0.04 -0.04 1.64 1.81 2vhiE1 LEU 248 HD13 -0.03 -0.04 -0.05 -0.04 0.93 0.77 2vhiE1 LEU 248 HD23 -0.00 -0.02 0.01 -0.04 0.89 0.84 2vhiE1 ASN 249 H 0.08 0.34 -0.60 -0.55 8.53 7.80 2vhiE1 ASN 249 HA 0.04 0.04 0.65 -0.75 4.76 4.73 2vhiE1 ASN 249 HB2 0.11 0.12 0.12 -0.04 2.88 3.20 2vhiE1 ASN 249 HB3 0.07 -0.12 0.11 -0.04 2.79 2.81 2vhiE1 ASN 249 HD21 0.00 -0.21 -0.03 -0.04 7.03 6.75 2vhiE1 ASN 249 HD22 0.03 0.23 0.02 -0.04 7.74 7.98 2vhiE1 GLY 250 H 0.11 0.56 -0.33 -0.55 8.43 8.22 2vhiE1 GLY 250 HA2 0.09 0.05 0.25 -0.51 4.01 3.89 2vhiE1 GLY 250 HA3 0.07 0.00 0.45 -0.51 4.01 4.02 2vhiE1 ALA 251 H 0.20 0.36 -0.00 -0.55 8.40 8.41 2vhiE1 ALA 251 HA 0.10 0.01 0.20 -0.75 4.34 3.89 2vhiE1 ALA 251 HB3 0.12 -0.02 -0.25 -0.04 1.41 1.22 2vhiE1 GLU 252 H 0.06 0.53 0.34 -0.55 8.60 8.98 2vhiE1 GLU 252 HA 0.20 0.21 0.93 -0.75 4.29 4.87 2vhiE1 GLU 252 HB2 0.11 -0.08 0.20 -0.04 2.09 2.27 2vhiE1 GLU 252 HB3 0.15 -0.08 0.07 -0.04 1.99 2.09 2vhiE1 GLU 252 HG2 0.16 -0.05 0.19 -0.04 2.34 2.59 2vhiE1 GLU 252 HG3 0.13 0.25 -0.04 -0.04 2.34 2.64 2vhiE1 ILE 253 H 0.01 0.35 0.23 -0.55 8.25 8.30 2vhiE1 ILE 253 HA -0.09 0.23 0.75 -0.75 4.18 4.32 2vhiE1 ILE 253 HB -0.05 -0.06 0.03 -0.04 1.89 1.77 2vhiE1 ILE 253 HG12 -0.14 0.04 -0.11 -0.04 1.49 1.23 2vhiE1 ILE 253 HG13 0.02 -0.11 -0.42 -0.04 1.21 0.66 2vhiE1 ILE 253 HG23 -0.72 -0.01 -0.29 -0.04 0.93 -0.14 2vhiE1 ILE 253 HD13 -0.05 0.01 -0.12 -0.04 0.88 0.68 2vhiE1 VAL 254 H -0.35 0.86 0.13 -0.55 8.24 8.33 2vhiE1 VAL 254 HA -0.16 0.22 1.14 -0.75 4.13 4.58 2vhiE1 VAL 254 HB -0.17 0.03 0.03 -0.04 2.12 1.97 2vhiE1 VAL 254 HG13 -0.15 -0.01 -0.38 -0.04 0.97 0.38 2vhiE1 VAL 254 HG23 -0.55 -0.00 -0.30 -0.04 0.95 0.06 2vhiE1 PHE 255 H 0.29 0.55 0.27 -0.55 8.34 8.89 2vhiE1 PHE 255 HA -0.00 0.04 0.57 -0.75 4.62 4.47 2vhiE1 PHE 255 HB2 -0.06 -0.06 0.07 -0.04 3.15 3.07 2vhiE1 PHE 255 HB3 -0.02 0.04 0.03 -0.04 3.06 3.07 2vhiE1 PHE 255 HD2 -0.05 0.12 -0.04 -0.04 7.28 7.27 2vhiE1 PHE 255 HE2 -0.04 0.00 -0.17 -0.04 7.38 7.14 2vhiE1 PHE 255 HZ -0.04 0.01 -0.16 -0.04 7.32 7.08 2vhiE1 ASN 256 H 0.15 0.71 0.12 -0.55 8.53 8.96 2vhiE1 ASN 256 HA 0.05 0.42 0.91 -0.75 4.76 5.39 2vhiE1 ASN 256 HB2 0.28 0.05 -0.16 -0.04 2.88 3.02 2vhiE1 ASN 256 HB3 0.16 -0.08 0.02 -0.04 2.79 2.85 2vhiE1 ASN 256 HD21 0.09 -0.08 -0.12 -0.04 7.03 6.88 2vhiE1 ASN 256 HD22 0.01 0.64 0.08 -0.04 7.74 8.44 2vhiE1 PRO 257 HA 0.13 0.12 0.66 -0.51 4.44 4.83 2vhiE1 PRO 257 HB2 0.10 -0.12 -0.36 -0.04 2.28 1.87 2vhiE1 PRO 257 HB3 0.08 0.35 -0.02 -0.04 2.02 2.39 2vhiE1 PRO 257 HG2 0.08 -0.14 -0.02 -0.04 2.03 1.91 2vhiE1 PRO 257 HG3 0.05 0.04 -0.13 -0.04 2.03 1.94 2vhiE1 PRO 257 HD2 0.06 0.26 -0.11 -0.04 3.68 3.85 2vhiE1 PRO 257 HD3 0.10 0.10 -0.25 -0.04 3.65 3.55 2vhiE1 SER 258 H 0.12 0.43 0.45 -0.55 8.46 8.91 2vhiE1 SER 258 HA 0.12 0.03 0.90 -0.75 4.49 4.78 2vhiE1 SER 258 HB2 0.21 0.10 0.05 -0.04 3.95 4.28 2vhiE1 SER 258 HB3 0.17 -0.13 0.08 -0.04 3.93 4.02 2vhiE1 ALA 259 H -0.00 0.20 0.06 -0.55 8.40 8.12 2vhiE1 ALA 259 HA -0.16 0.01 0.60 -0.75 4.34 4.03 2vhiE1 ALA 259 HB3 -0.51 0.04 0.08 -0.04 1.41 0.99 2vhiE1 THR 260 H -0.09 0.25 0.08 -0.55 8.28 7.97 2vhiE1 THR 260 HA 0.07 0.15 0.97 -0.75 4.39 4.83 2vhiE1 THR 260 HB -0.05 0.03 -0.17 -0.04 4.32 4.10 2vhiE1 THR 260 HG23 -0.08 0.07 0.01 -0.04 1.22 1.17 2vhiE1 ILE 261 H 0.16 0.11 0.10 -0.55 8.25 8.07 2vhiE1 ILE 261 HA -0.12 0.36 0.64 -0.75 4.18 4.30 2vhiE1 ILE 261 HB -0.25 0.14 -0.22 -0.04 1.89 1.52 2vhiE1 ILE 261 HG12 -0.03 -0.02 -0.04 -0.04 1.49 1.35 2vhiE1 ILE 261 HG13 0.13 -0.06 -0.30 -0.04 1.21 0.94 2vhiE1 ILE 261 HG23 -1.28 -0.02 -0.18 -0.04 0.93 -0.59 2vhiE1 ILE 261 HD13 0.01 0.02 -0.07 -0.04 0.88 0.80 2vhiE1 GLY 262 H 0.22 0.39 0.06 -0.55 8.43 8.55 2vhiE1 GLY 262 HA2 0.04 0.24 0.23 -0.51 4.01 4.01 2vhiE1 GLY 262 HA3 0.05 0.01 0.00 -0.51 4.01 3.56 2vhiE1 ARG 263 H 0.03 0.15 0.11 -0.55 8.46 8.19 2vhiE1 ARG 263 HA -0.03 0.17 0.14 -0.75 4.34 3.86 2vhiE1 ARG 263 HB2 0.00 0.08 0.01 -0.04 1.90 1.95 2vhiE1 ARG 263 HB3 -0.01 0.07 0.07 -0.04 1.80 1.88 2vhiE1 ARG 263 HG2 0.03 -0.02 0.09 -0.04 1.67 1.73 2vhiE1 ARG 263 HG3 0.01 0.07 0.05 -0.04 1.67 1.76 2vhiE1 ARG 263 HD2 0.04 -0.12 0.13 -0.04 3.22 3.23 2vhiE1 ARG 263 HD3 0.02 0.08 0.06 -0.04 3.22 3.34 2vhiE1 LEU 264 H 0.05 0.03 0.07 -0.55 8.37 7.96 2vhiE1 LEU 264 HA 0.03 0.20 0.63 -0.75 4.35 4.45 2vhiE1 LEU 264 HB2 0.06 -0.08 0.12 -0.04 1.64 1.71 2vhiE1 LEU 264 HB3 0.06 0.06 -0.03 -0.04 1.64 1.70 2vhiE1 LEU 264 HG 0.03 0.06 0.05 -0.04 1.64 1.74 2vhiE1 LEU 264 HD13 0.03 0.01 -0.04 -0.04 0.93 0.88 2vhiE1 LEU 264 HD23 0.05 0.01 0.01 -0.04 0.89 0.91 2vhiE1 SER 265 H 0.08 -0.01 -0.21 -0.55 8.46 7.78 2vhiE1 SER 265 HA 0.14 0.10 0.36 -0.75 4.49 4.34 2vhiE1 SER 265 HB2 0.15 -0.02 0.05 -0.04 3.95 4.09 2vhiE1 SER 265 HB3 0.18 0.00 0.18 -0.04 3.93 4.25 2vhiE1 GLU 266 H -0.05 0.23 -0.29 -0.55 8.60 7.95 2vhiE1 GLU 266 HA -0.39 0.06 0.27 -0.75 4.29 3.47 2vhiE1 GLU 266 HB2 -0.33 0.28 0.16 -0.04 2.09 2.16 2vhiE1 GLU 266 HB3 -0.22 0.05 0.00 -0.04 1.99 1.79 2vhiE1 GLU 266 HG2 -0.72 -0.02 0.01 -0.04 2.34 1.57 2vhiE1 GLU 266 HG3 -1.70 -0.02 0.00 -0.04 2.34 0.57 2vhiE1 PRO 267 HA -0.00 0.09 0.49 -0.51 4.44 4.51 2vhiE1 PRO 267 HB2 0.01 0.05 -0.06 -0.04 2.28 2.24 2vhiE1 PRO 267 HB3 -0.01 0.03 0.08 -0.04 2.02 2.08 2vhiE1 PRO 267 HG2 -0.01 0.07 0.06 -0.04 2.03 2.11 2vhiE1 PRO 267 HG3 -0.03 0.02 0.05 -0.04 2.03 2.03 2vhiE1 PRO 267 HD2 0.01 0.30 -0.24 -0.04 3.68 3.71 2vhiE1 PRO 267 HD3 -0.05 0.12 0.03 -0.04 3.65 3.71 2vhiE1 LEU 268 H 0.08 0.25 -0.51 -0.55 8.37 7.64 2vhiE1 LEU 268 HA 0.03 0.08 0.48 -0.75 4.35 4.18 2vhiE1 LEU 268 HB2 0.14 0.13 -0.04 -0.04 1.64 1.82 2vhiE1 LEU 268 HB3 0.04 -0.05 0.07 -0.04 1.64 1.66 2vhiE1 LEU 268 HG 0.09 0.05 -0.00 -0.04 1.64 1.74 2vhiE1 LEU 268 HD13 0.20 -0.01 -0.01 -0.04 0.93 1.06 2vhiE1 LEU 268 HD23 0.05 -0.01 -0.04 -0.04 0.89 0.85 2vhiE1 TRP 269 H 0.28 0.45 -0.40 -0.55 7.97 7.76 2vhiE1 TRP 269 HA 0.11 -0.01 0.23 -0.75 4.62 4.19 2vhiE1 TRP 269 HB2 0.24 -0.02 0.08 -0.04 3.23 3.49 2vhiE1 TRP 269 HB3 0.09 0.10 0.11 -0.04 3.23 3.49 2vhiE1 TRP 269 HD1 0.27 -0.04 -0.13 -0.04 7.22 7.27 2vhiE1 TRP 269 HE1 0.47 0.52 0.01 -0.04 10.20 11.16 2vhiE1 TRP 269 HE3 0.16 -0.03 -0.09 -0.04 7.59 7.59 2vhiE1 TRP 269 HZ2 0.00 0.06 -0.43 -0.04 7.44 7.03 2vhiE1 TRP 269 HZ3 0.04 -0.08 -0.12 -0.04 7.13 6.94 2vhiE1 TRP 269 HH2 0.01 0.04 -0.34 -0.04 7.19 6.87 2vhiE1 SER 270 H 0.11 0.23 -0.21 -0.55 8.46 8.05 2vhiE1 SER 270 HA -0.16 0.10 0.30 -0.75 4.49 3.98 2vhiE1 SER 270 HB2 -0.16 0.07 0.01 -0.04 3.95 3.84 2vhiE1 SER 270 HB3 -0.12 -0.02 0.04 -0.04 3.93 3.78 2vhiE1 ILE 271 H -0.06 0.22 -0.75 -0.55 8.25 7.10 2vhiE1 ILE 271 HA -0.11 0.20 0.56 -0.75 4.18 4.07 2vhiE1 ILE 271 HB -0.06 0.05 0.14 -0.04 1.89 1.98 2vhiE1 ILE 271 HG12 -0.04 0.07 -0.04 -0.04 1.49 1.43 2vhiE1 ILE 271 HG13 -0.04 -0.02 -0.02 -0.04 1.21 1.08 2vhiE1 ILE 271 HG23 -0.09 -0.01 -0.10 -0.04 0.93 0.69 2vhiE1 ILE 271 HD13 -0.08 0.02 -0.14 -0.04 0.88 0.65 2vhiE1 GLU 272 H -0.13 0.48 0.11 -0.55 8.60 8.50 2vhiE1 GLU 272 HA -0.17 0.04 0.12 -0.75 4.29 3.53 2vhiE1 GLU 272 HB2 -0.15 -0.04 0.06 -0.04 2.09 1.92 2vhiE1 GLU 272 HB3 -0.07 0.15 -0.03 -0.04 1.99 2.00 2vhiE1 GLU 272 HG2 -0.10 -0.03 0.02 -0.04 2.34 2.19 2vhiE1 GLU 272 HG3 -0.10 0.27 0.17 -0.04 2.34 2.64 2vhiE1 ALA 273 H -0.32 0.21 -0.03 -0.55 8.40 7.71 2vhiE1 ALA 273 HA -0.79 0.05 0.36 -0.75 4.34 3.22 2vhiE1 ALA 273 HB3 -0.43 0.02 -0.01 -0.04 1.41 0.95 2vhiE1 ARG 274 H -0.23 0.15 -0.49 -0.55 8.46 7.34 2vhiE1 ARG 274 HA -0.16 0.00 0.39 -0.75 4.34 3.82 2vhiE1 ARG 274 HB2 -0.05 0.02 -0.01 -0.04 1.90 1.81 2vhiE1 ARG 274 HB3 -0.15 0.20 0.09 -0.04 1.80 1.90 2vhiE1 ARG 274 HG2 -0.11 0.08 -0.01 -0.04 1.67 1.58 2vhiE1 ARG 274 HG3 -0.12 -0.08 -0.19 -0.04 1.67 1.24 2vhiE1 ARG 274 HD2 -0.04 -0.12 -0.06 -0.04 3.22 2.97 2vhiE1 ARG 274 HD3 -0.05 -0.02 -0.04 -0.04 3.22 3.07 2vhiE1 ASN 275 H -0.25 0.58 -0.04 -0.55 8.53 8.27 2vhiE1 ASN 275 HA -0.22 0.04 0.36 -0.75 4.76 4.18 2vhiE1 ASN 275 HB2 -0.20 0.07 0.10 -0.04 2.88 2.82 2vhiE1 ASN 275 HB3 -0.27 0.06 0.09 -0.04 2.79 2.63 2vhiE1 ASN 275 HD21 -0.17 -0.02 -0.05 -0.04 7.03 6.74 2vhiE1 ASN 275 HD22 -0.16 0.00 -0.05 -0.04 7.74 7.49 2vhiE1 ALA 276 H -0.60 0.46 -0.24 -0.55 8.40 7.48 2vhiE1 ALA 276 HA -0.44 -0.04 0.23 -0.75 4.34 3.33 2vhiE1 ALA 276 HB3 -1.51 0.04 -0.00 -0.04 1.41 -0.10 2vhiE1 ALA 277 H -0.36 0.39 -0.49 -0.55 8.40 7.40 2vhiE1 ALA 277 HA 0.00 0.01 0.26 -0.75 4.34 3.85 2vhiE1 ALA 277 HB3 -0.15 0.04 -0.14 -0.04 1.41 1.11 2vhiE1 ILE 278 H -0.21 0.42 -0.08 -0.55 8.25 7.83 2vhiE1 ILE 278 HA -0.09 0.14 0.47 -0.75 4.18 3.95 2vhiE1 ILE 278 HB -0.22 0.06 0.19 -0.04 1.89 1.88 2vhiE1 ILE 278 HG12 -0.08 -0.06 -0.02 -0.04 1.49 1.29 2vhiE1 ILE 278 HG13 -0.13 0.06 0.05 -0.04 1.21 1.14 2vhiE1 ILE 278 HG23 -0.28 -0.02 -0.11 -0.04 0.93 0.48 2vhiE1 ILE 278 HD13 -0.14 -0.03 -0.13 -0.04 0.88 0.55 2vhiE1 ALA 279 H -0.27 0.72 -0.03 -0.55 8.40 8.28 2vhiE1 ALA 279 HA -0.48 0.01 0.24 -0.75 4.34 3.37 2vhiE1 ALA 279 HB3 -0.30 -0.03 -0.03 -0.04 1.41 1.02 2vhiE1 ASN 280 H -0.37 0.56 -0.17 -0.55 8.53 8.00 2vhiE1 ASN 280 HA -0.21 0.12 0.69 -0.75 4.76 4.61 2vhiE1 ASN 280 HB2 -1.02 0.20 -0.02 -0.04 2.88 2.00 2vhiE1 ASN 280 HB3 -0.82 -0.04 -0.03 -0.04 2.79 1.86 2vhiE1 ASN 280 HD21 -0.01 -0.08 -0.23 -0.04 7.03 6.66 2vhiE1 ASN 280 HD22 -0.16 0.12 -0.13 -0.04 7.74 7.53 2vhiE1 SER 281 H -0.20 0.26 -0.53 -0.55 8.46 7.44 2vhiE1 SER 281 HA -0.06 0.18 0.44 -0.75 4.49 4.29 2vhiE1 SER 281 HB2 0.00 0.05 -0.11 -0.04 3.95 3.85 2vhiE1 SER 281 HB3 0.01 -0.09 0.23 -0.04 3.93 4.04 2vhiE1 TYR 282 H -0.14 0.43 0.09 -0.55 8.29 8.12 2vhiE1 TYR 282 HA -0.14 0.01 0.48 -0.75 4.56 4.16 2vhiE1 TYR 282 HB2 0.04 -0.04 -0.05 -0.04 3.06 2.97 2vhiE1 TYR 282 HB3 0.02 0.23 -0.09 -0.04 2.98 3.10 2vhiE1 TYR 282 HD2 -0.00 0.09 -0.51 -0.04 7.15 6.68 2vhiE1 TYR 282 HE2 0.06 -0.08 -0.39 -0.04 6.85 6.40 2vhiE1 PHE 283 H 0.21 0.71 0.28 -0.55 8.34 8.98 2vhiE1 PHE 283 HA -0.09 0.27 0.79 -0.75 4.62 4.83 2vhiE1 PHE 283 HB2 -0.15 0.05 0.24 -0.04 3.15 3.25 2vhiE1 PHE 283 HB3 -0.20 -0.03 -0.03 -0.04 3.06 2.75 2vhiE1 PHE 283 HD2 -0.19 0.16 -0.01 -0.04 7.28 7.20 2vhiE1 PHE 283 HE2 -0.27 -0.05 -0.08 -0.04 7.38 6.94 2vhiE1 PHE 283 HZ -0.03 -0.02 -0.09 -0.04 7.32 7.13 2vhiE1 THR 284 H -0.02 0.62 0.31 -0.55 8.28 8.65 2vhiE1 THR 284 HA -0.13 0.26 0.90 -0.75 4.39 4.66 2vhiE1 THR 284 HB -0.17 -0.01 0.08 -0.04 4.32 4.18 2vhiE1 THR 284 HG23 -0.27 0.03 -0.20 -0.04 1.22 0.73 2vhiE1 VAL 285 H -0.15 0.48 0.07 -0.55 8.24 8.09 2vhiE1 VAL 285 HA -0.12 0.36 1.09 -0.75 4.13 4.71 2vhiE1 VAL 285 HB -0.20 -0.14 0.10 -0.04 2.12 1.84 2vhiE1 VAL 285 HG13 0.08 0.01 -0.17 -0.04 0.97 0.85 2vhiE1 VAL 285 HG23 -0.49 0.01 -0.32 -0.04 0.95 0.11 2vhiE1 PRO 286 HA 0.06 0.12 0.74 -0.51 4.44 4.85 2vhiE1 PRO 286 HB2 -0.60 0.03 0.02 -0.04 2.28 1.69 2vhiE1 PRO 286 HB3 -0.66 0.01 0.05 -0.04 2.02 1.37 2vhiE1 PRO 286 HG2 -1.31 0.06 -0.07 -0.04 2.03 0.67 2vhiE1 PRO 286 HG3 -0.49 -0.03 -0.08 -0.04 2.03 1.40 2vhiE1 PRO 286 HD2 -0.53 0.46 0.13 -0.04 3.68 3.70 2vhiE1 PRO 286 HD3 -0.32 0.09 -0.47 -0.04 3.65 2.92 2vhiE1 ILE 287 H 0.24 0.60 0.25 -0.55 8.25 8.79 2vhiE1 ILE 287 HA 0.22 0.10 0.80 -0.75 4.18 4.55 2vhiE1 ILE 287 HB 0.13 -0.06 -0.02 -0.04 1.89 1.90 2vhiE1 ILE 287 HG12 0.12 -0.04 -0.24 -0.04 1.49 1.29 2vhiE1 ILE 287 HG13 0.15 0.02 -0.68 -0.04 1.21 0.66 2vhiE1 ILE 287 HG23 0.06 -0.01 -0.29 -0.04 0.93 0.64 2vhiE1 ILE 287 HD13 0.17 0.00 -0.20 -0.04 0.88 0.81 2vhiE1 ASN 288 H 0.04 0.21 0.05 -0.55 8.53 8.29 2vhiE1 ASN 288 HA -0.09 0.14 0.92 -0.75 4.76 4.98 2vhiE1 ASN 288 HB2 -0.82 0.02 -0.26 -0.04 2.88 1.78 2vhiE1 ASN 288 HB3 -0.54 0.24 -0.04 -0.04 2.79 2.41 2vhiE1 ASN 288 HD21 -1.04 0.06 0.11 -0.04 7.03 6.13 2vhiE1 ASN 288 HD22 -1.23 0.28 -0.11 -0.04 7.74 6.64 2vhiE1 ARG 289 H -0.17 0.22 0.27 -0.55 8.46 8.22 2vhiE1 ARG 289 HA -0.12 0.09 0.59 -0.75 4.34 4.14 2vhiE1 ARG 289 HB2 -0.32 0.05 0.29 -0.04 1.90 1.88 2vhiE1 ARG 289 HB3 -0.63 -0.13 0.11 -0.04 1.80 1.11 2vhiE1 ARG 289 HG2 -0.50 0.13 0.08 -0.04 1.67 1.34 2vhiE1 ARG 289 HG3 -0.24 0.10 0.20 -0.04 1.67 1.69 2vhiE1 ARG 289 HD2 -1.57 -0.10 0.04 -0.04 3.22 1.55 2vhiE1 ARG 289 HD3 -0.68 -0.06 0.05 -0.04 3.22 2.49 2vhiE1 VAL 290 H -0.10 0.47 0.27 -0.55 8.24 8.33 2vhiE1 VAL 290 HA 0.00 0.25 0.73 -0.75 4.13 4.36 2vhiE1 VAL 290 HB -0.01 -0.02 -0.37 -0.04 2.12 1.67 2vhiE1 VAL 290 HG13 0.01 -0.01 -0.68 -0.04 0.97 0.25 2vhiE1 VAL 290 HG23 0.02 0.01 -0.33 -0.04 0.95 0.61 2vhiE1 GLY 291 H 0.05 0.31 0.19 -0.55 8.43 8.43 2vhiE1 GLY 291 HA2 0.05 0.05 0.41 -0.51 4.01 4.01 2vhiE1 GLY 291 HA3 0.04 0.12 0.54 -0.51 4.01 4.20 2vhiE1 THR 292 H 0.05 0.23 0.24 -0.55 8.28 8.25 2vhiE1 THR 292 HA 0.12 0.13 1.06 -0.75 4.39 4.95 2vhiE1 THR 292 HB 0.01 -0.12 0.08 -0.04 4.32 4.25 2vhiE1 THR 292 HG23 0.03 0.01 -0.01 -0.04 1.22 1.21 2vhiE1 GLU 293 H 0.17 0.67 0.37 -0.55 8.60 9.27 2vhiE1 GLU 293 HA -0.02 0.19 0.94 -0.75 4.29 4.64 2vhiE1 GLU 293 HB2 0.17 -0.00 0.06 -0.04 2.09 2.28 2vhiE1 GLU 293 HB3 -0.25 -0.00 -0.00 -0.04 1.99 1.69 2vhiE1 GLU 293 HG2 -0.03 0.05 -0.09 -0.04 2.34 2.22 2vhiE1 GLU 293 HG3 0.08 -0.03 -0.38 -0.04 2.34 1.98 2vhiE1 GLN 294 H -0.14 0.19 0.17 -0.55 8.47 8.14 2vhiE1 GLN 294 HA 0.15 0.31 1.10 -0.75 4.36 5.16 2vhiE1 GLN 294 HB2 0.11 0.04 -0.18 -0.04 2.15 2.08 2vhiE1 GLN 294 HB3 0.10 -0.07 -0.21 -0.04 2.02 1.80 2vhiE1 GLN 294 HG2 0.04 0.01 -0.08 -0.04 2.40 2.33 2vhiE1 GLN 294 HG3 -0.01 -0.06 0.06 -0.04 2.39 2.34 2vhiE1 GLN 294 HE21 0.05 0.03 -0.20 -0.04 6.97 6.81 2vhiE1 GLN 294 HE22 0.01 -0.08 -0.29 -0.04 7.69 7.28 2vhiE1 PHE 295 H 0.34 0.54 0.17 -0.55 8.34 8.84 2vhiE1 PHE 295 HA 0.12 0.08 0.48 -0.75 4.62 4.54 2vhiE1 PHE 295 HB2 0.10 0.16 0.06 -0.04 3.15 3.43 2vhiE1 PHE 295 HB3 0.07 -0.00 0.04 -0.04 3.06 3.12 2vhiE1 PHE 295 HD2 -0.19 0.14 -0.03 -0.04 7.28 7.15 2vhiE1 PHE 295 HE2 -0.32 0.01 -0.18 -0.04 7.38 6.85 2vhiE1 PHE 295 HZ -0.07 -0.05 -0.52 -0.04 7.32 6.65 2vhiE1 PRO 296 HA 0.14 0.03 0.34 -0.51 4.44 4.44 2vhiE1 PRO 296 HB2 0.20 -0.03 0.14 -0.04 2.28 2.55 2vhiE1 PRO 296 HB3 0.13 0.02 0.07 -0.04 2.02 2.20 2vhiE1 PRO 296 HG2 0.36 0.06 0.08 -0.04 2.03 2.49 2vhiE1 PRO 296 HG3 0.24 0.02 0.00 -0.04 2.03 2.26 2vhiE1 PRO 296 HD2 0.67 0.12 0.16 -0.04 3.68 4.59 2vhiE1 PRO 296 HD3 0.45 0.09 0.14 -0.04 3.65 4.28 2vhiE1 ASN 297 H 0.21 0.10 0.00 -0.55 8.53 8.30 2vhiE1 ASN 297 HA 0.11 0.25 1.10 -0.75 4.76 5.46 2vhiE1 ASN 297 HB2 0.08 0.11 0.04 -0.04 2.88 3.07 2vhiE1 ASN 297 HB3 0.07 0.00 0.08 -0.04 2.79 2.90 2vhiE1 ASN 297 HD21 0.11 -0.01 0.02 -0.04 7.03 7.11 2vhiE1 ASN 297 HD22 0.12 0.10 -0.02 -0.04 7.74 7.90 2vhiE1 GLU 298 H 0.06 0.05 0.10 -0.55 8.60 8.27 2vhiE1 GLU 298 HA 0.03 0.21 0.21 -0.75 4.29 3.98 2vhiE1 GLU 298 HB2 -0.03 -0.02 -0.14 -0.04 2.09 1.85 2vhiE1 GLU 298 HB3 0.01 -0.02 -0.10 -0.04 1.99 1.84 2vhiE1 GLU 298 HG2 0.03 -0.02 0.09 -0.04 2.34 2.40 2vhiE1 GLU 298 HG3 0.03 0.00 0.06 -0.04 2.34 2.39 2vhiE1 TYR 299 H -0.34 0.60 0.40 -0.55 8.29 8.40 2vhiE1 TYR 299 HA -0.10 0.10 0.72 -0.75 4.56 4.52 2vhiE1 TYR 299 HB2 -0.18 0.12 0.18 -0.04 3.06 3.14 2vhiE1 TYR 299 HB3 -0.16 0.05 -0.06 -0.04 2.98 2.78 2vhiE1 TYR 299 HD2 -0.22 0.16 -0.14 -0.04 7.15 6.90 2vhiE1 TYR 299 HE2 -0.19 -0.01 -0.21 -0.04 6.85 6.40 2vhiE1 THR 300 H 0.01 0.22 0.19 -0.55 8.28 8.16 2vhiE1 THR 300 HA -0.17 0.21 1.01 -0.75 4.39 4.69 2vhiE1 THR 300 HB -0.00 0.06 0.05 -0.04 4.32 4.39 2vhiE1 THR 300 HG23 -0.02 0.00 -0.07 -0.04 1.22 1.09 2vhiE1 SER 301 H 0.05 0.16 0.07 -0.55 8.46 8.19 2vhiE1 SER 301 HA 0.07 0.35 0.60 -0.75 4.49 4.75 2vhiE1 SER 301 HB2 0.11 -0.09 0.07 -0.04 3.95 4.00 2vhiE1 SER 301 HB3 0.14 0.03 0.00 -0.04 3.93 4.06 2vhiE1 GLY 302 H 0.03 0.14 -0.17 -0.55 8.43 7.89 2vhiE1 GLY 302 HA2 0.02 0.06 0.31 -0.51 4.01 3.89 2vhiE1 GLY 302 HA3 0.04 0.12 0.48 -0.51 4.01 4.14 2vhiE1 ASP 303 H 0.05 -0.07 -0.57 -0.55 8.40 7.26 2vhiE1 ASP 303 HA 0.03 0.19 0.72 -0.75 4.63 4.82 2vhiE1 ASP 303 HB2 0.03 -0.09 0.17 -0.04 2.71 2.77 2vhiE1 ASP 303 HB3 0.04 0.07 0.06 -0.04 2.70 2.83 2vhiE1 GLY 304 H 0.02 0.12 0.12 -0.55 8.43 8.14 2vhiE1 GLY 304 HA2 0.01 0.15 0.47 -0.51 4.01 4.12 2vhiE1 GLY 304 HA3 0.01 0.00 0.32 -0.51 4.01 3.83 2vhiE1 ASN 305 H 0.02 -0.11 -0.35 -0.55 8.53 7.55 2vhiE1 ASN 305 HA 0.01 0.06 0.10 -0.75 4.76 4.17 2vhiE1 ASN 305 HB2 0.00 -0.10 0.05 -0.04 2.88 2.80 2vhiE1 ASN 305 HB3 -0.01 0.18 0.04 -0.04 2.79 2.96 2vhiE1 ASN 305 HD21 -0.03 0.01 0.01 -0.04 7.03 6.98 2vhiE1 ASN 305 HD22 -0.07 0.05 0.02 -0.04 7.74 7.69 2vhiE1 LYS 306 H 0.01 0.03 0.13 -0.55 8.42 8.04 2vhiE1 LYS 306 HA 0.02 0.10 0.53 -0.75 4.32 4.21 2vhiE1 LYS 306 HB2 0.01 -0.02 0.09 -0.04 1.87 1.90 2vhiE1 LYS 306 HB3 0.01 0.05 0.11 -0.04 1.79 1.93 2vhiE1 LYS 306 HG2 0.01 0.04 0.06 -0.04 1.46 1.53 2vhiE1 LYS 306 HG3 0.00 -0.05 0.07 -0.04 1.46 1.45 2vhiE1 LYS 306 HD2 0.00 -0.01 0.02 -0.04 1.69 1.67 2vhiE1 LYS 306 HD3 0.00 0.00 0.03 -0.04 1.68 1.68 2vhiE1 LYS 306 HE2 0.01 -0.00 0.02 -0.04 2.99 2.97 2vhiE1 LYS 306 HE3 0.01 0.01 0.05 -0.04 2.99 3.02 2vhiE1 ALA 307 H 0.01 0.06 0.14 -0.55 8.40 8.06 2vhiE1 ALA 307 HA -0.10 0.21 0.46 -0.75 4.34 4.17 2vhiE1 ALA 307 HB3 -0.05 -0.02 -0.05 -0.04 1.41 1.24 2vhiE1 HIS 308 H -0.61 0.64 0.41 -0.55 8.41 8.31 2vhiE1 HIS 308 HA -0.07 0.12 0.76 -0.75 4.63 4.68 2vhiE1 HIS 308 HB2 -0.08 -0.19 0.15 -0.04 3.26 3.11 2vhiE1 HIS 308 HB3 -0.09 0.08 -0.09 -0.04 3.20 3.06 2vhiE1 HIS 308 HD2 -0.16 0.35 0.06 -0.04 6.97 7.17 2vhiE1 HIS 308 HE1 -0.09 -0.06 -0.03 -0.04 7.75 7.53 2vhiE1 LYS 309 H 0.10 0.04 0.19 -0.55 8.42 8.19 2vhiE1 LYS 309 HA 0.16 0.26 0.80 -0.75 4.32 4.79 2vhiE1 LYS 309 HB2 0.12 -0.05 -0.00 -0.04 1.87 1.90 2vhiE1 LYS 309 HB3 0.17 0.29 0.00 -0.04 1.79 2.22 2vhiE1 LYS 309 HG2 0.06 -0.16 -0.26 -0.04 1.46 1.06 2vhiE1 LYS 309 HG3 0.07 -0.00 -0.03 -0.04 1.46 1.45 2vhiE1 LYS 309 HD2 0.11 0.25 -0.10 -0.04 1.69 1.91 2vhiE1 LYS 309 HD3 0.10 -0.10 -0.42 -0.04 1.68 1.22 2vhiE1 LYS 309 HE2 0.06 -0.00 0.06 -0.04 2.99 3.06 2vhiE1 LYS 309 HE3 0.05 -0.07 -0.05 -0.04 2.99 2.88 2vhiE1 GLU 310 H 0.18 -0.05 0.12 -0.55 8.60 8.31 2vhiE1 GLU 310 HA 0.26 0.12 0.57 -0.75 4.29 4.48 2vhiE1 GLU 310 HB2 0.12 -0.06 0.08 -0.04 2.09 2.19 2vhiE1 GLU 310 HB3 0.14 0.02 -0.08 -0.04 1.99 2.03 2vhiE1 GLU 310 HG2 0.11 0.01 -0.21 -0.04 2.34 2.20 2vhiE1 GLU 310 HG3 0.12 0.01 -0.19 -0.04 2.34 2.23 2vhiE1 PHE 311 H 0.37 0.72 0.33 -0.55 8.34 9.21 2vhiE1 PHE 311 HA 0.20 0.11 0.85 -0.75 4.62 5.03 2vhiE1 PHE 311 HB2 0.42 0.06 -0.09 -0.04 3.15 3.50 2vhiE1 PHE 311 HB3 0.48 0.01 0.18 -0.04 3.06 3.69 2vhiE1 PHE 311 HD2 0.27 0.01 0.05 -0.04 7.28 7.57 2vhiE1 PHE 311 HE2 0.16 -0.02 -0.01 -0.04 7.38 7.47 2vhiE1 PHE 311 HZ -0.80 -0.03 -0.10 -0.04 7.32 6.35 2vhiE1 GLY 312 H -0.02 0.25 0.14 -0.55 8.43 8.25 2vhiE1 GLY 312 HA2 -0.75 0.01 0.19 -0.51 4.01 2.95 2vhiE1 GLY 312 HA3 -0.20 0.12 0.86 -0.51 4.01 4.28 2vhiE1 PRO 313 HA -0.10 0.06 0.40 -0.51 4.44 4.29 2vhiE1 PRO 313 HB2 0.01 0.19 -0.14 -0.04 2.28 2.30 2vhiE1 PRO 313 HB3 -0.00 -0.01 -0.02 -0.04 2.02 1.95 2vhiE1 PRO 313 HG2 0.01 0.04 0.05 -0.04 2.03 2.09 2vhiE1 PRO 313 HG3 -0.00 0.04 0.03 -0.04 2.03 2.07 2vhiE1 PRO 313 HD2 -0.04 -0.02 0.27 -0.04 3.68 3.86 2vhiE1 PRO 313 HD3 -0.03 0.13 0.26 -0.04 3.65 3.97 2vhiE1 PHE 314 H 0.06 0.53 0.19 -0.55 8.34 8.57 2vhiE1 PHE 314 HA -0.24 0.13 0.64 -0.75 4.62 4.40 2vhiE1 PHE 314 HB2 -0.16 0.08 -0.22 -0.04 3.15 2.81 2vhiE1 PHE 314 HB3 -0.27 0.12 -0.26 -0.04 3.06 2.61 2vhiE1 PHE 314 HD2 -0.24 0.11 -0.11 -0.04 7.28 6.99 2vhiE1 PHE 314 HE2 -0.32 0.03 -0.23 -0.04 7.38 6.82 2vhiE1 PHE 314 HZ -0.27 0.02 -0.07 -0.04 7.32 6.97 2vhiE1 TYR 315 H -0.62 0.23 0.21 -0.55 8.29 7.56 2vhiE1 TYR 315 HA -0.04 0.32 0.53 -0.75 4.56 4.61 2vhiE1 TYR 315 HB2 -0.09 -0.04 0.14 -0.04 3.06 3.04 2vhiE1 TYR 315 HB3 -0.08 -0.02 0.01 -0.04 2.98 2.85 2vhiE1 TYR 315 HD2 -0.22 0.02 -0.07 -0.04 7.15 6.84 2vhiE1 TYR 315 HE2 -0.49 -0.09 -0.39 -0.04 6.85 5.85 2vhiE1 GLY 316 H -0.19 0.32 -0.24 -0.55 8.43 7.78 2vhiE1 GLY 316 HA2 -0.15 0.20 0.14 -0.51 4.01 3.69 2vhiE1 GLY 316 HA3 -0.03 0.02 0.26 -0.51 4.01 3.75 2vhiE1 SER 317 H 0.06 0.37 0.09 -0.55 8.46 8.43 2vhiE1 SER 317 HA 0.18 0.14 0.22 -0.75 4.49 4.27 2vhiE1 SER 317 HB2 -0.05 0.12 -0.01 -0.04 3.95 3.98 2vhiE1 SER 317 HB3 0.26 -0.12 0.10 -0.04 3.93 4.13 2vhiE1 SER 318 H 0.18 -0.02 -0.04 -0.55 8.46 8.03 2vhiE1 SER 318 HA 0.49 0.24 0.45 -0.75 4.49 4.91 2vhiE1 SER 318 HB2 0.18 -0.09 0.02 -0.04 3.95 4.02 2vhiE1 SER 318 HB3 0.19 0.14 0.05 -0.04 3.93 4.26 2vhiE1 TYR 319 H 0.09 0.51 0.27 -0.55 8.29 8.61 2vhiE1 TYR 319 HA 0.15 0.08 0.38 -0.75 4.56 4.41 2vhiE1 TYR 319 HB2 0.10 0.08 -0.02 -0.04 3.06 3.18 2vhiE1 TYR 319 HB3 0.17 0.04 -0.32 -0.04 2.98 2.82 2vhiE1 TYR 319 HD2 0.23 0.15 -0.28 -0.04 7.15 7.21 2vhiE1 TYR 319 HE2 -0.47 -0.02 -0.19 -0.04 6.85 6.13 2vhiE1 VAL 320 H 0.31 0.16 0.16 -0.55 8.24 8.32 2vhiE1 VAL 320 HA -0.02 0.38 1.08 -0.75 4.13 4.82 2vhiE1 VAL 320 HB 0.30 -0.11 0.03 -0.04 2.12 2.30 2vhiE1 VAL 320 HG13 -0.00 0.01 -0.21 -0.04 0.97 0.73 2vhiE1 VAL 320 HG23 0.08 -0.02 -0.19 -0.04 0.95 0.78 2vhiE1 ALA 321 H -0.06 0.69 0.33 -0.55 8.40 8.81 2vhiE1 ALA 321 HA 0.04 0.17 1.13 -0.75 4.34 4.93 2vhiE1 ALA 321 HB3 -0.05 0.03 0.01 -0.04 1.41 1.36 2vhiE1 ALA 322 H -0.14 0.81 0.30 -0.55 8.40 8.83 2vhiE1 ALA 322 HA -0.57 0.15 0.74 -0.75 4.34 3.91 2vhiE1 ALA 322 HB3 -0.53 -0.03 0.01 -0.04 1.41 0.82 2vhiE1 PRO 323 HA -0.15 0.42 0.31 -0.51 4.44 4.51 2vhiE1 PRO 323 HB2 -0.09 0.05 -0.12 -0.04 2.28 2.08 2vhiE1 PRO 323 HB3 -0.21 0.04 -0.32 -0.04 2.02 1.49 2vhiE1 PRO 323 HG2 -0.31 -0.02 -0.14 -0.04 2.03 1.52 2vhiE1 PRO 323 HG3 -0.58 -0.01 -0.23 -0.04 2.03 1.16 2vhiE1 PRO 323 HD2 -1.08 -0.01 0.10 -0.04 3.68 2.66 2vhiE1 PRO 323 HD3 -1.65 0.16 -0.16 -0.04 3.65 1.96 2vhiE1 ASP 324 H -0.07 -0.01 -0.34 -0.55 8.40 7.42 2vhiE1 ASP 324 HA 0.44 0.20 0.66 -0.75 4.63 5.18 2vhiE1 ASP 324 HB2 -0.01 0.05 0.14 -0.04 2.71 2.85 2vhiE1 ASP 324 HB3 -0.00 -0.03 0.06 -0.04 2.70 2.69 2vhiE1 GLY 325 H 0.03 0.36 -0.36 -0.55 8.43 7.92 2vhiE1 GLY 325 HA2 0.02 0.06 0.25 -0.51 4.01 3.82 2vhiE1 GLY 325 HA3 0.14 0.18 0.64 -0.51 4.01 4.46 2vhiE1 SER 326 H 0.09 -0.08 -0.18 -0.55 8.46 7.73 2vhiE1 SER 326 HA 0.13 0.21 0.75 -0.75 4.49 4.81 2vhiE1 SER 326 HB2 0.24 -0.10 0.10 -0.04 3.95 4.14 2vhiE1 SER 326 HB3 0.15 0.15 -0.02 -0.04 3.93 4.18 2vhiE1 ARG 327 H 0.23 -0.01 0.27 -0.55 8.46 8.40 2vhiE1 ARG 327 HA 0.33 0.13 0.84 -0.75 4.34 4.90 2vhiE1 ARG 327 HB2 0.15 0.11 0.04 -0.04 1.90 2.16 2vhiE1 ARG 327 HB3 0.07 0.06 -0.15 -0.04 1.80 1.74 2vhiE1 ARG 327 HG2 -0.05 0.12 -0.03 -0.04 1.67 1.67 2vhiE1 ARG 327 HG3 0.07 -0.18 -0.00 -0.04 1.67 1.52 2vhiE1 ARG 327 HD2 -0.30 -0.01 -0.07 -0.04 3.22 2.80 2vhiE1 ARG 327 HD3 -0.46 0.11 -0.04 -0.04 3.22 2.79 2vhiE1 THR 328 H 0.42 0.58 0.31 -0.55 8.28 9.04 2vhiE1 THR 328 HA -0.20 0.02 0.59 -0.75 4.39 4.05 2vhiE1 THR 328 HB 0.25 -0.40 0.27 -0.04 4.32 4.40 2vhiE1 THR 328 HG23 -0.17 0.21 -0.06 -0.04 1.22 1.17 2vhiE1 PRO 329 HA 0.30 0.03 0.59 -0.51 4.44 4.84 2vhiE1 PRO 329 HB2 -0.04 0.07 -0.09 -0.04 2.28 2.18 2vhiE1 PRO 329 HB3 -0.00 -0.07 0.10 -0.04 2.02 2.00 2vhiE1 PRO 329 HG2 -0.31 0.01 0.05 -0.04 2.03 1.73 2vhiE1 PRO 329 HG3 -0.31 0.03 0.09 -0.04 2.03 1.79 2vhiE1 PRO 329 HD2 -1.16 0.05 0.21 -0.04 3.68 2.74 2vhiE1 PRO 329 HD3 -0.31 0.17 0.19 -0.04 3.65 3.67 2vhiE1 SER 330 H 0.15 -0.05 0.11 -0.55 8.46 8.12 2vhiE1 SER 330 HA 0.28 0.42 0.71 -0.75 4.49 5.14 2vhiE1 SER 330 HB2 0.16 -0.20 0.08 -0.04 3.95 3.95 2vhiE1 SER 330 HB3 0.27 -0.03 -0.01 -0.04 3.93 4.11 2vhiE1 LEU 331 H 0.23 0.43 0.11 -0.55 8.37 8.59 2vhiE1 LEU 331 HA 0.15 0.10 0.63 -0.75 4.35 4.47 2vhiE1 LEU 331 HB2 0.14 -0.12 0.12 -0.04 1.64 1.74 2vhiE1 LEU 331 HB3 0.12 -0.11 0.16 -0.04 1.64 1.77 2vhiE1 LEU 331 HG 0.19 0.13 -0.08 -0.04 1.64 1.83 2vhiE1 LEU 331 HD13 0.12 -0.03 -0.16 -0.04 0.93 0.82 2vhiE1 LEU 331 HD23 0.14 0.01 -0.18 -0.04 0.89 0.81 2vhiE1 SER 332 H 0.10 0.11 0.12 -0.55 8.46 8.25 2vhiE1 SER 332 HA 0.08 0.18 0.46 -0.75 4.49 4.45 2vhiE1 SER 332 HB2 0.07 0.07 0.14 -0.04 3.95 4.18 2vhiE1 SER 332 HB3 0.07 0.13 0.16 -0.04 3.93 4.24 2vhiE1 ARG 333 H 0.06 0.35 0.25 -0.55 8.46 8.56 2vhiE1 ARG 333 HA 0.07 0.36 0.46 -0.75 4.34 4.47 2vhiE1 ARG 333 HB2 0.05 -0.03 0.02 -0.04 1.90 1.90 2vhiE1 ARG 333 HB3 0.06 -0.01 0.05 -0.04 1.80 1.86 2vhiE1 ARG 333 HG2 0.06 0.06 -0.02 -0.04 1.67 1.73 2vhiE1 ARG 333 HG3 0.06 0.12 -0.05 -0.04 1.67 1.75 2vhiE1 ARG 333 HD2 0.02 -0.07 -0.13 -0.04 3.22 3.00 2vhiE1 ARG 333 HD3 0.03 -0.04 -0.07 -0.04 3.22 3.10 2vhiE1 ASP 334 H 0.05 -0.04 -0.08 -0.55 8.40 7.79 2vhiE1 ASP 334 HA 0.04 0.13 0.62 -0.75 4.63 4.67 2vhiE1 ASP 334 HB2 0.04 -0.04 0.19 -0.04 2.71 2.86 2vhiE1 ASP 334 HB3 0.04 0.11 -0.11 -0.04 2.70 2.70 2vhiE1 LYS 335 H 0.05 0.07 -0.05 -0.55 8.42 7.94 2vhiE1 LYS 335 HA 0.05 0.20 0.96 -0.75 4.32 4.79 2vhiE1 LYS 335 HB2 0.05 -0.08 -0.02 -0.04 1.87 1.78 2vhiE1 LYS 335 HB3 0.07 -0.04 0.07 -0.04 1.79 1.84 2vhiE1 LYS 335 HG2 0.08 0.14 0.15 -0.04 1.46 1.79 2vhiE1 LYS 335 HG3 0.05 0.01 0.10 -0.04 1.46 1.58 2vhiE1 LYS 335 HD2 0.05 -0.10 -0.00 -0.04 1.69 1.59 2vhiE1 LYS 335 HD3 0.06 0.01 -0.05 -0.04 1.68 1.66 2vhiE1 LYS 335 HE2 0.03 -0.05 -0.01 -0.04 2.99 2.92 2vhiE1 LYS 335 HE3 0.02 -0.03 -0.05 -0.04 2.99 2.90 2vhiE1 ASP 336 H 0.07 0.16 0.15 -0.55 8.40 8.23 2vhiE1 ASP 336 HA 0.05 0.05 0.45 -0.75 4.63 4.42 2vhiE1 ASP 336 HB2 0.14 0.10 0.18 -0.04 2.71 3.09 2vhiE1 ASP 336 HB3 0.07 0.05 0.01 -0.04 2.70 2.80 2vhiE1 GLY 337 H 0.05 0.71 0.41 -0.55 8.43 9.05 2vhiE1 GLY 337 HA2 0.22 0.18 0.84 -0.51 4.01 4.75 2vhiE1 GLY 337 HA3 0.12 -0.07 0.30 -0.51 4.01 3.85 2vhiE1 LEU 338 H 0.23 0.98 0.31 -0.55 8.37 9.34 2vhiE1 LEU 338 HA 0.06 0.25 1.00 -0.75 4.35 4.91 2vhiE1 LEU 338 HB2 0.06 -0.01 0.01 -0.04 1.64 1.66 2vhiE1 LEU 338 HB3 0.32 0.06 0.14 -0.04 1.64 2.12 2vhiE1 LEU 338 HG 0.09 -0.07 -0.26 -0.04 1.64 1.36 2vhiE1 LEU 338 HD13 0.02 0.03 -0.25 -0.04 0.93 0.68 2vhiE1 LEU 338 HD23 0.13 0.03 -0.18 -0.04 0.89 0.84 2vhiE1 LEU 339 H 0.08 0.77 0.27 -0.55 8.37 8.95 2vhiE1 LEU 339 HA 0.12 0.17 0.99 -0.75 4.35 4.86 2vhiE1 LEU 339 HB2 0.15 -0.05 -0.06 -0.04 1.64 1.63 2vhiE1 LEU 339 HB3 0.13 -0.07 0.14 -0.04 1.64 1.79 2vhiE1 LEU 339 HG 0.20 0.00 -0.26 -0.04 1.64 1.54 2vhiE1 LEU 339 HD13 0.29 0.03 -0.12 -0.04 0.93 1.09 2vhiE1 LEU 339 HD23 0.20 -0.01 -0.30 -0.04 0.89 0.74 2vhiE1 VAL 340 H 0.06 0.69 0.32 -0.55 8.24 8.76 2vhiE1 VAL 340 HA 0.04 0.34 1.12 -0.75 4.13 4.88 2vhiE1 VAL 340 HB -0.01 -0.06 0.09 -0.04 2.12 2.10 2vhiE1 VAL 340 HG13 -0.01 0.01 -0.20 -0.04 0.97 0.73 2vhiE1 VAL 340 HG23 0.01 -0.01 -0.20 -0.04 0.95 0.71 2vhiE1 VAL 341 H 0.06 0.63 0.32 -0.55 8.24 8.70 2vhiE1 VAL 341 HA 0.09 0.29 1.05 -0.75 4.13 4.81 2vhiE1 VAL 341 HB 0.24 -0.03 0.01 -0.04 2.12 2.30 2vhiE1 VAL 341 HG13 0.19 -0.00 -0.24 -0.04 0.97 0.87 2vhiE1 VAL 341 HG23 0.29 -0.01 -0.24 -0.04 0.95 0.95 2vhiE1 GLU 342 H 0.06 0.61 0.44 -0.55 8.60 9.16 2vhiE1 GLU 342 HA -0.00 0.25 1.15 -0.75 4.29 4.93 2vhiE1 GLU 342 HB2 -0.00 0.04 0.03 -0.04 2.09 2.11 2vhiE1 GLU 342 HB3 0.01 -0.01 0.20 -0.04 1.99 2.15 2vhiE1 GLU 342 HG2 0.02 -0.03 -0.33 -0.04 2.34 1.96 2vhiE1 GLU 342 HG3 -0.00 0.03 -0.08 -0.04 2.34 2.24 2vhiE1 LEU 343 H -0.04 0.83 0.49 -0.55 8.37 9.09 2vhiE1 LEU 343 HA 0.10 0.28 1.00 -0.75 4.35 4.98 2vhiE1 LEU 343 HB2 -0.54 -0.00 -0.15 -0.04 1.64 0.91 2vhiE1 LEU 343 HB3 -0.16 -0.00 -0.15 -0.04 1.64 1.29 2vhiE1 LEU 343 HG -0.21 0.14 0.02 -0.04 1.64 1.54 2vhiE1 LEU 343 HD13 -0.71 -0.01 -0.17 -0.04 0.93 0.00 2vhiE1 LEU 343 HD23 -0.54 -0.00 -0.21 -0.04 0.89 0.10 2vhiE1 ASP 344 H 0.12 0.22 0.00 -0.55 8.40 8.20 2vhiE1 ASP 344 HA 0.04 0.31 0.85 -0.75 4.63 5.07 2vhiE1 ASP 344 HB2 0.07 0.09 0.06 -0.04 2.71 2.88 2vhiE1 ASP 344 HB3 0.11 -0.05 0.05 -0.04 2.70 2.77 2vhiE1 LEU 345 H 0.05 0.78 0.21 -0.55 8.37 8.87 2vhiE1 LEU 345 HA 0.24 0.09 0.38 -0.75 4.35 4.31 2vhiE1 LEU 345 HB2 0.07 0.04 0.13 -0.04 1.64 1.84 2vhiE1 LEU 345 HB3 0.11 -0.01 0.10 -0.04 1.64 1.80 2vhiE1 LEU 345 HG 0.00 0.05 0.00 -0.04 1.64 1.65 2vhiE1 LEU 345 HD13 0.07 0.05 -0.13 -0.04 0.93 0.89 2vhiE1 LEU 345 HD23 0.07 0.00 -0.02 -0.04 0.89 0.90 2vhiE1 ASN 346 H 0.09 0.02 -0.44 -0.55 8.53 7.66 2vhiE1 ASN 346 HA 0.07 0.13 0.50 -0.75 4.76 4.70 2vhiE1 ASN 346 HB2 0.06 -0.05 0.02 -0.04 2.88 2.86 2vhiE1 ASN 346 HB3 0.04 0.04 -0.01 -0.04 2.79 2.82 2vhiE1 ASN 346 HD21 0.03 0.38 -0.08 -0.04 7.03 7.32 2vhiE1 ASN 346 HD22 0.04 -0.07 -0.02 -0.04 7.74 7.64 2vhiE1 LEU 347 H 0.15 0.41 -0.26 -0.55 8.37 8.12 2vhiE1 LEU 347 HA 0.03 -0.03 0.39 -0.75 4.35 3.99 2vhiE1 LEU 347 HB2 0.13 0.00 0.07 -0.04 1.64 1.80 2vhiE1 LEU 347 HB3 0.18 0.11 0.04 -0.04 1.64 1.93 2vhiE1 LEU 347 HG -0.09 0.01 -0.15 -0.04 1.64 1.38 2vhiE1 LEU 347 HD13 -0.01 -0.00 0.11 -0.04 0.93 0.99 2vhiE1 LEU 347 HD23 0.04 0.02 0.00 -0.04 0.89 0.91 2vhiE1 CYS 348 H 0.11 0.26 -0.45 -0.55 8.50 7.87 2vhiE1 CYS 348 HA -0.03 0.11 0.42 -0.75 4.58 4.33 2vhiE1 CYS 348 HB2 0.10 0.09 0.25 -0.04 2.97 3.37 2vhiE1 CYS 348 HB3 0.08 0.14 0.15 -0.04 2.97 3.30 2vhiE1 ARG 349 H 0.05 0.16 0.05 -0.55 8.46 8.17 2vhiE1 ARG 349 HA 0.03 0.08 0.41 -0.75 4.34 4.12 2vhiE1 ARG 349 HB2 0.04 0.04 0.13 -0.04 1.90 2.07 2vhiE1 ARG 349 HB3 0.03 0.01 0.12 -0.04 1.80 1.92 2vhiE1 ARG 349 HG2 0.02 -0.02 -0.20 -0.04 1.67 1.43 2vhiE1 ARG 349 HG3 0.03 0.01 0.05 -0.04 1.67 1.72 2vhiE1 ARG 349 HD2 0.02 -0.03 -0.03 -0.04 3.22 3.14 2vhiE1 ARG 349 HD3 0.02 -0.01 -0.03 -0.04 3.22 3.16 2vhiE1 GLN 350 H 0.02 0.42 -0.27 -0.55 8.47 8.10 2vhiE1 GLN 350 HA 0.00 0.01 0.39 -0.75 4.36 4.01 2vhiE1 GLN 350 HB2 -0.00 0.05 0.13 -0.04 2.15 2.29 2vhiE1 GLN 350 HB3 -0.04 -0.02 0.00 -0.04 2.02 1.93 2vhiE1 GLN 350 HG2 -0.02 -0.01 -0.00 -0.04 2.40 2.33 2vhiE1 GLN 350 HG3 0.01 0.00 -0.01 -0.04 2.39 2.35 2vhiE1 GLN 350 HE21 0.02 0.16 -0.06 -0.04 6.97 7.05 2vhiE1 GLN 350 HE22 0.02 -0.02 -0.08 -0.04 7.69 7.56 2vhiE1 VAL 351 H -0.00 0.66 -0.04 -0.55 8.24 8.31 2vhiE1 VAL 351 HA -0.02 -0.03 0.51 -0.75 4.13 3.84 2vhiE1 VAL 351 HB 0.03 0.22 0.21 -0.04 2.12 2.54 2vhiE1 VAL 351 HG13 0.32 0.05 -0.10 -0.04 0.97 1.20 2vhiE1 VAL 351 HG23 -0.01 -0.04 -0.07 -0.04 0.95 0.78 2vhiE1 LYS 352 H 0.03 0.62 -0.01 -0.55 8.42 8.51 2vhiE1 LYS 352 HA 0.01 -0.06 0.40 -0.75 4.32 3.92 2vhiE1 LYS 352 HB2 0.03 0.10 0.20 -0.04 1.87 2.15 2vhiE1 LYS 352 HB3 0.02 -0.11 0.01 -0.04 1.79 1.68 2vhiE1 LYS 352 HG2 0.03 -0.05 0.07 -0.04 1.46 1.47 2vhiE1 LYS 352 HG3 0.03 0.22 0.05 -0.04 1.46 1.72 2vhiE1 LYS 352 HD2 0.03 -0.08 0.00 -0.04 1.69 1.61 2vhiE1 LYS 352 HD3 0.03 -0.12 0.01 -0.04 1.68 1.56 2vhiE1 LYS 352 HE2 0.04 -0.04 0.00 -0.04 2.99 2.96 2vhiE1 LYS 352 HE3 0.02 0.22 0.06 -0.04 2.99 3.25 2vhiE1 ASP 353 H 0.02 0.50 -0.33 -0.55 8.40 8.05 2vhiE1 ASP 353 HA 0.00 0.03 0.58 -0.75 4.63 4.49 2vhiE1 ASP 353 HB2 0.02 0.12 0.15 -0.04 2.71 2.96 2vhiE1 ASP 353 HB3 0.02 -0.06 0.03 -0.04 2.70 2.65 2vhiE1 PHE 354 H 0.07 0.35 -0.05 -0.55 8.34 8.15 2vhiE1 PHE 354 HA -0.12 0.09 0.70 -0.75 4.62 4.54 2vhiE1 PHE 354 HB2 -0.18 -0.05 0.10 -0.04 3.15 2.97 2vhiE1 PHE 354 HB3 -0.30 0.03 0.22 -0.04 3.06 2.97 2vhiE1 PHE 354 HD2 -0.59 0.00 0.01 -0.04 7.28 6.66 2vhiE1 PHE 354 HE2 -0.46 -0.01 -0.01 -0.04 7.38 6.85 2vhiE1 PHE 354 HZ -0.21 -0.03 -0.01 -0.04 7.32 7.04 2vhiE1 TRP 355 H -0.01 0.66 0.19 -0.55 7.97 8.27 2vhiE1 TRP 355 HA -0.56 0.10 0.61 -0.75 4.62 4.02 2vhiE1 TRP 355 HB2 -0.55 0.13 0.15 -0.04 3.23 2.92 2vhiE1 TRP 355 HB3 -1.49 -0.07 -0.05 -0.04 3.23 1.57 2vhiE1 TRP 355 HD1 -0.31 0.01 0.07 -0.04 7.22 6.95 2vhiE1 TRP 355 HE1 0.01 -0.03 0.01 -0.04 10.20 10.14 2vhiE1 TRP 355 HE3 -0.22 0.02 0.06 -0.04 7.59 7.40 2vhiE1 TRP 355 HZ2 0.07 -0.03 0.01 -0.04 7.44 7.45 2vhiE1 TRP 355 HZ3 -0.03 -0.00 0.16 -0.04 7.13 7.22 2vhiE1 TRP 355 HH2 0.02 0.22 0.01 -0.04 7.19 7.40 2vhiE1 GLY 356 H -0.06 0.28 -0.20 -0.55 8.43 7.90 2vhiE1 GLY 356 HA2 -0.01 0.18 0.37 -0.51 4.01 4.04 2vhiE1 GLY 356 HA3 -0.03 0.06 0.28 -0.51 4.01 3.81 2vhiE1 PHE 357 H -0.15 0.15 -0.16 -0.55 8.34 7.63 2vhiE1 PHE 357 HA -0.06 0.11 0.36 -0.75 4.62 4.29 2vhiE1 PHE 357 HB2 -0.06 -0.00 0.06 -0.04 3.15 3.10 2vhiE1 PHE 357 HB3 -0.11 0.07 -0.01 -0.04 3.06 2.97 2vhiE1 PHE 357 HD2 -0.16 0.09 -0.05 -0.04 7.28 7.13 2vhiE1 PHE 357 HE2 -0.53 0.06 -0.05 -0.04 7.38 6.82 2vhiE1 PHE 357 HZ -1.18 -0.04 -0.04 -0.04 7.32 6.03 2vhiE1 ARG 358 H 0.09 0.14 -0.11 -0.55 8.46 8.03 2vhiE1 ARG 358 HA 0.04 0.11 0.41 -0.75 4.34 4.14 2vhiE1 ARG 358 HB2 0.03 0.00 -0.07 -0.04 1.90 1.82 2vhiE1 ARG 358 HB3 0.03 0.02 0.06 -0.04 1.80 1.86 2vhiE1 ARG 358 HG2 0.06 -0.10 0.08 -0.04 1.67 1.67 2vhiE1 ARG 358 HG3 0.03 0.03 0.02 -0.04 1.67 1.71 2vhiE1 ARG 358 HD2 0.02 -0.03 -0.08 -0.04 3.22 3.09 2vhiE1 ARG 358 HD3 0.01 0.24 -0.04 -0.04 3.22 3.39 2vhiE1 MET 359 H 0.04 0.14 -0.33 -0.55 8.47 7.77 2vhiE1 MET 359 HA 0.02 0.03 0.48 -0.75 4.52 4.30 2vhiE1 MET 359 HB2 0.02 -0.04 0.10 -0.04 2.15 2.18 2vhiE1 MET 359 HB3 0.02 0.27 0.06 -0.04 2.03 2.34 2vhiE1 MET 359 HG2 0.01 -0.04 0.10 -0.04 2.63 2.65 2vhiE1 MET 359 HG3 0.01 -0.04 0.06 -0.04 2.56 2.54 2vhiE1 MET 359 HE3 -0.01 0.01 0.02 -0.04 2.10 2.08 2vhiE1 THR 360 H 0.06 0.32 -0.47 -0.55 8.28 7.64 2vhiE1 THR 360 HA 0.03 0.14 0.88 -0.75 4.39 4.68 2vhiE1 THR 360 HB 0.03 -0.07 0.15 -0.04 4.32 4.39 2vhiE1 THR 360 HG23 0.03 0.02 -0.08 -0.04 1.22 1.15 2vhiE1 GLN 361 H 0.03 0.25 -0.27 -0.55 8.47 7.93 2vhiE1 GLN 361 HA -0.02 0.13 0.31 -0.75 4.36 4.03 2vhiE1 GLN 361 HB2 0.01 0.05 0.14 -0.04 2.15 2.31 2vhiE1 GLN 361 HB3 -0.02 -0.11 -0.03 -0.04 2.02 1.82 2vhiE1 GLN 361 HG2 -0.06 0.03 0.01 -0.04 2.40 2.33 2vhiE1 GLN 361 HG3 0.01 0.09 0.13 -0.04 2.39 2.57 2vhiE1 GLN 361 HE21 -0.06 -0.00 -0.04 -0.04 6.97 6.82 2vhiE1 GLN 361 HE22 -0.11 0.00 -0.05 -0.04 7.69 7.49 2vhiE1 ARG 362 H 0.04 0.13 -0.25 -0.55 8.46 7.82 2vhiE1 ARG 362 HA 0.03 -0.00 0.28 -0.75 4.34 3.90 2vhiE1 ARG 362 HB2 0.13 0.22 -0.01 -0.04 1.90 2.20 2vhiE1 ARG 362 HB3 -0.01 -0.16 0.20 -0.04 1.80 1.79 2vhiE1 ARG 362 HG2 0.02 -0.01 -0.01 -0.04 1.67 1.62 2vhiE1 ARG 362 HG3 0.03 0.19 -0.13 -0.04 1.67 1.71 2vhiE1 ARG 362 HD2 -0.03 -0.09 0.03 -0.04 3.22 3.08 2vhiE1 ARG 362 HD3 -0.01 0.01 0.01 -0.04 3.22 3.19 2vhiE1 VAL 363 H 0.04 0.13 -0.08 -0.55 8.24 7.78 2vhiE1 VAL 363 HA 0.10 0.11 0.24 -0.75 4.13 3.83 2vhiE1 VAL 363 HB 0.01 0.04 0.01 -0.04 2.12 2.14 2vhiE1 VAL 363 HG13 0.01 0.00 -0.04 -0.04 0.97 0.91 2vhiE1 VAL 363 HG23 0.01 0.03 0.01 -0.04 0.95 0.95 2vhiE1 PRO 364 HA -0.02 0.07 0.42 -0.51 4.44 4.39 2vhiE1 PRO 364 HB2 -0.03 0.03 -0.03 -0.04 2.28 2.21 2vhiE1 PRO 364 HB3 -0.02 0.05 0.04 -0.04 2.02 2.05 2vhiE1 PRO 364 HG2 -0.01 0.07 0.02 -0.04 2.03 2.07 2vhiE1 PRO 364 HG3 -0.01 0.08 0.05 -0.04 2.03 2.11 2vhiE1 PRO 364 HD2 0.01 -0.04 -0.09 -0.04 3.68 3.52 2vhiE1 PRO 364 HD3 0.01 0.15 0.09 -0.04 3.65 3.85 2vhiE1 LEU 365 H -0.07 0.26 -0.34 -0.55 8.37 7.68 2vhiE1 LEU 365 HA -0.15 0.03 0.44 -0.75 4.35 3.92 2vhiE1 LEU 365 HB2 -0.16 -0.04 0.09 -0.04 1.64 1.49 2vhiE1 LEU 365 HB3 -0.29 0.28 0.16 -0.04 1.64 1.76 2vhiE1 LEU 365 HG -0.41 -0.07 -0.11 -0.04 1.64 1.01 2vhiE1 LEU 365 HD13 -0.15 -0.01 0.03 -0.04 0.93 0.76 2vhiE1 LEU 365 HD23 -0.51 0.02 -0.01 -0.04 0.89 0.35 2vhiE1 TYR 366 H -0.08 0.42 -0.03 -0.55 8.29 8.05 2vhiE1 TYR 366 HA -0.53 0.02 0.55 -0.75 4.56 3.84 2vhiE1 TYR 366 HB2 -0.27 0.08 0.11 -0.04 3.06 2.94 2vhiE1 TYR 366 HB3 -0.85 -0.04 0.01 -0.04 2.98 2.06 2vhiE1 TYR 366 HD2 -0.33 0.07 -0.04 -0.04 7.15 6.81 2vhiE1 TYR 366 HE2 -0.06 0.07 0.02 -0.04 6.85 6.84 2vhiE1 ALA 367 H -0.07 0.71 -0.07 -0.55 8.40 8.43 2vhiE1 ALA 367 HA 0.01 0.03 0.44 -0.75 4.34 4.07 2vhiE1 ALA 367 HB3 -0.01 0.05 0.07 -0.04 1.41 1.47 2vhiE1 GLU 368 H -0.10 0.37 -0.30 -0.55 8.60 8.03 2vhiE1 GLU 368 HA -0.03 0.03 0.44 -0.75 4.29 3.98 2vhiE1 GLU 368 HB2 -0.08 0.20 0.22 -0.04 2.09 2.39 2vhiE1 GLU 368 HB3 -0.08 0.04 0.04 -0.04 1.99 1.95 2vhiE1 GLU 368 HG2 -0.03 0.00 0.03 -0.04 2.34 2.30 2vhiE1 GLU 368 HG3 -0.04 -0.02 0.01 -0.04 2.34 2.25 2vhiE1 SER 369 H -0.19 0.59 0.05 -0.55 8.46 8.37 2vhiE1 SER 369 HA -0.03 0.01 0.43 -0.75 4.49 4.15 2vhiE1 SER 369 HB2 -0.31 0.04 0.15 -0.04 3.95 3.78 2vhiE1 SER 369 HB3 -0.04 -0.04 0.05 -0.04 3.93 3.86 2vhiE1 PHE 370 H -0.10 0.59 -0.27 -0.55 8.34 8.01 2vhiE1 PHE 370 HA -0.06 0.03 0.49 -0.75 4.62 4.33 2vhiE1 PHE 370 HB2 0.01 0.12 0.10 -0.04 3.15 3.33 2vhiE1 PHE 370 HB3 -0.02 -0.06 -0.01 -0.04 3.06 2.93 2vhiE1 PHE 370 HD2 0.02 -0.03 -0.12 -0.04 7.28 7.11 2vhiE1 PHE 370 HE2 0.05 -0.02 -0.05 -0.04 7.38 7.32 2vhiE1 PHE 370 HZ 0.00 -0.01 -0.03 -0.04 7.32 7.24 2vhiE1 LYS 371 H 0.07 0.38 -0.23 -0.55 8.42 8.09 2vhiE1 LYS 371 HA 0.02 0.02 0.49 -0.75 4.32 4.11 2vhiE1 LYS 371 HB2 0.02 0.01 0.13 -0.04 1.87 1.99 2vhiE1 LYS 371 HB3 0.01 0.16 0.23 -0.04 1.79 2.15 2vhiE1 LYS 371 HG2 0.01 0.01 -0.36 -0.04 1.46 1.07 2vhiE1 LYS 371 HG3 0.00 -0.05 -0.04 -0.04 1.46 1.33 2vhiE1 LYS 371 HD2 0.00 0.02 0.01 -0.04 1.69 1.68 2vhiE1 LYS 371 HD3 0.01 -0.04 -0.04 -0.04 1.68 1.56 2vhiE1 LYS 371 HE2 0.01 -0.03 -0.02 -0.04 2.99 2.91 2vhiE1 LYS 371 HE3 0.01 0.03 -0.00 -0.04 2.99 2.98 2vhiE1 LYS 372 H 0.01 0.50 -0.12 -0.55 8.42 8.26 2vhiE1 LYS 372 HA 0.03 -0.02 0.38 -0.75 4.32 3.95 2vhiE1 LYS 372 HB2 0.05 0.14 0.13 -0.04 1.87 2.15 2vhiE1 LYS 372 HB3 0.14 -0.04 -0.02 -0.04 1.79 1.83 2vhiE1 LYS 372 HG2 0.02 0.21 0.08 -0.04 1.46 1.73 2vhiE1 LYS 372 HG3 0.04 -0.04 -0.01 -0.04 1.46 1.42 2vhiE1 LYS 372 HD2 0.06 -0.01 -0.00 -0.04 1.69 1.70 2vhiE1 LYS 372 HD3 0.04 -0.03 -0.03 -0.04 1.68 1.62 2vhiE1 LYS 372 HE2 0.01 0.02 -0.02 -0.04 2.99 2.97 2vhiE1 LYS 372 HE3 0.02 -0.01 -0.02 -0.04 2.99 2.94 2vhiE1 ALA 373 H -0.13 0.38 -0.26 -0.55 8.40 7.85 2vhiE1 ALA 373 HA -1.80 0.01 0.30 -0.75 4.34 2.10 2vhiE1 ALA 373 HB3 -0.41 0.00 0.08 -0.04 1.41 1.05 2vhiE1 SER 374 H -0.14 0.31 -0.45 -0.55 8.46 7.63 2vhiE1 SER 374 HA -0.14 0.05 0.54 -0.75 4.49 4.18 2vhiE1 SER 374 HB2 -0.08 -0.11 0.09 -0.04 3.95 3.82 2vhiE1 SER 374 HB3 -0.08 0.04 0.10 -0.04 3.93 3.95 2vhiE1 GLU 375 H -0.08 0.29 -0.34 -0.55 8.60 7.92 2vhiE1 GLU 375 HA -0.11 0.00 0.43 -0.75 4.29 3.85 2vhiE1 GLU 375 HB2 0.04 0.26 0.09 -0.04 2.09 2.45 2vhiE1 GLU 375 HB3 0.04 -0.22 0.04 -0.04 1.99 1.81 2vhiE1 GLU 375 HG2 -0.01 -0.09 0.03 -0.04 2.34 2.24 2vhiE1 GLU 375 HG3 -0.02 0.23 0.04 -0.04 2.34 2.55 2vhiE1 HIS 376 H -0.00 0.06 0.17 -0.55 8.41 8.10 2vhiE1 HIS 376 HA 0.06 0.18 0.41 -0.75 4.63 4.52 2vhiE1 HIS 376 HB2 0.04 -0.07 0.17 -0.04 3.26 3.35 2vhiE1 HIS 376 HB3 0.04 0.02 0.01 -0.04 3.20 3.22 2vhiE1 HIS 376 HD2 0.02 -0.03 0.06 -0.04 6.97 6.97 2vhiE1 HIS 376 HE1 0.02 -0.00 0.02 -0.04 7.75 7.74 2vhiE1 GLY 377 H 0.14 0.02 -0.07 -0.55 8.43 7.97 2vhiE1 GLY 377 HA2 0.10 0.11 0.31 -0.51 4.01 4.02 2vhiE1 GLY 377 HA3 0.09 -0.05 0.29 -0.51 4.01 3.83 2vhiE1 PHE 378 H 0.24 0.34 -0.92 -0.55 8.34 7.46 2vhiE1 PHE 378 HA 0.03 -0.08 0.17 -0.75 4.62 3.98 2vhiE1 PHE 378 HB2 0.02 0.20 -0.00 -0.04 3.15 3.33 2vhiE1 PHE 378 HB3 0.03 0.02 0.08 -0.04 3.06 3.15 2vhiE1 PHE 378 HD2 0.03 0.00 -0.13 -0.04 7.28 7.14 2vhiE1 PHE 378 HE2 0.03 -0.04 -0.11 -0.04 7.38 7.22 2vhiE1 PHE 378 HZ 0.04 -0.09 -0.05 -0.04 7.32 7.18 2vhiE1 LYS 379 H -0.12 0.12 0.14 -0.55 8.42 8.00 2vhiE1 LYS 379 HA -0.36 0.22 0.92 -0.75 4.32 4.35 2vhiE1 LYS 379 HB2 -0.09 -0.00 0.15 -0.04 1.87 1.88 2vhiE1 LYS 379 HB3 -0.13 -0.00 0.09 -0.04 1.79 1.70 2vhiE1 LYS 379 HG2 -0.11 0.01 0.08 -0.04 1.46 1.39 2vhiE1 LYS 379 HG3 -0.08 0.05 -0.01 -0.04 1.46 1.39 2vhiE1 LYS 379 HD2 -0.05 -0.02 0.02 -0.04 1.69 1.60 2vhiE1 LYS 379 HD3 -0.04 -0.04 0.01 -0.04 1.68 1.57 2vhiE1 LYS 379 HE2 -0.03 0.01 0.02 -0.04 2.99 2.95 2vhiE1 LYS 379 HE3 -0.02 -0.06 0.01 -0.04 2.99 2.88 2vhiE1 PRO 380 HA -0.41 0.02 0.33 -0.51 4.44 3.87 2vhiE1 PRO 380 HB2 -0.13 -0.03 -0.06 -0.04 2.28 2.02 2vhiE1 PRO 380 HB3 -0.06 0.02 0.00 -0.04 2.02 1.95 2vhiE1 PRO 380 HG2 -0.14 0.02 0.04 -0.04 2.03 1.90 2vhiE1 PRO 380 HG3 -0.29 0.07 0.01 -0.04 2.03 1.78 2vhiE1 PRO 380 HD2 -0.29 0.07 0.18 -0.04 3.68 3.59 2vhiE1 PRO 380 HD3 -0.72 0.35 -0.03 -0.04 3.65 3.21 2vhiE1 GLN 381 H 0.02 0.12 0.09 -0.55 8.47 8.16 2vhiE1 GLN 381 HA -0.03 0.15 0.57 -0.75 4.36 4.30 2vhiE1 GLN 381 HB2 0.04 0.02 0.13 -0.04 2.15 2.30 2vhiE1 GLN 381 HB3 0.03 -0.02 0.22 -0.04 2.02 2.21 2vhiE1 GLN 381 HG2 0.00 -0.02 -0.05 -0.04 2.40 2.29 2vhiE1 GLN 381 HG3 0.00 0.02 0.01 -0.04 2.39 2.38 2vhiE1 GLN 381 HE21 -0.01 -0.01 0.00 -0.04 6.97 6.91 2vhiE1 GLN 381 HE22 -0.00 -0.00 -0.02 -0.04 7.69 7.62 2vhiE1 ILE 382 H -0.05 0.52 0.00 -0.55 8.25 8.18 2vhiE1 ILE 382 HA -0.01 0.11 0.78 -0.75 4.18 4.31 2vhiE1 ILE 382 HB -0.04 0.04 0.02 -0.04 1.89 1.88 2vhiE1 ILE 382 HG12 -0.01 0.02 -0.12 -0.04 1.49 1.34 2vhiE1 ILE 382 HG13 -0.03 -0.11 -0.43 -0.04 1.21 0.59 2vhiE1 ILE 382 HG23 -0.01 -0.01 -0.22 -0.04 0.93 0.65 2vhiE1 ILE 382 HD13 -0.03 0.01 -0.06 -0.04 0.88 0.76 2vhiE1 ILE 383 H -0.01 0.19 0.11 -0.55 8.25 7.99 2vhiE1 ILE 383 HA -0.01 0.12 0.84 -0.75 4.18 4.38 2vhiE1 ILE 383 HB -0.00 -0.02 0.13 -0.04 1.89 1.96 2vhiE1 ILE 383 HG12 -0.01 0.03 -0.09 -0.04 1.49 1.39 2vhiE1 ILE 383 HG13 -0.01 -0.01 -0.27 -0.04 1.21 0.89 2vhiE1 ILE 383 HG23 -0.00 0.00 -0.10 -0.04 0.93 0.78 2vhiE1 ILE 383 HD13 -0.00 -0.00 -0.03 -0.04 0.88 0.80 2vhiE1 LYS 384 H -0.01 0.16 0.11 -0.55 8.42 8.13 2vhiE1 LYS 384 HA -0.01 0.12 0.66 -0.75 4.32 4.34 2vhiE1 LYS 384 HB2 -0.01 -0.00 0.03 -0.04 1.87 1.85 2vhiE1 LYS 384 HB3 -0.01 0.11 -0.04 -0.04 1.79 1.82 2vhiE1 LYS 384 HG2 -0.01 -0.00 -0.07 -0.04 1.46 1.34 2vhiE1 LYS 384 HG3 -0.01 0.03 -0.10 -0.04 1.46 1.33 2vhiE1 LYS 384 HD2 -0.01 0.01 -0.02 -0.04 1.69 1.63 2vhiE1 LYS 384 HD3 -0.01 0.01 0.01 -0.04 1.68 1.66 2vhiE1 LYS 384 HE2 -0.01 -0.01 -0.01 -0.04 2.99 2.92 2vhiE1 LYS 384 HE3 -0.01 -0.01 -0.03 -0.04 2.99 2.90 2vhiE1 GLU 385 H -0.00 0.12 0.13 -0.55 8.60 8.30 2vhiE1 GLU 385 HA -0.00 0.09 0.73 -0.75 4.29 4.36 2vhiE1 GLU 385 HB2 -0.00 0.02 0.10 -0.04 2.09 2.17 2vhiE1 GLU 385 HB3 -0.00 0.02 0.09 -0.04 1.99 2.05 2vhiE1 GLU 385 HG2 -0.00 -0.06 -0.13 -0.04 2.34 2.10 2vhiE1 GLU 385 HG3 -0.00 0.01 0.04 -0.04 2.34 2.35 2vhiE1 THR 386 H -0.00 0.12 0.07 -0.55 8.28 7.92 2vhiE1 THR 386 HA -0.00 0.15 0.17 -0.75 4.39 3.95 2vhiE1 THR 386 HB -0.00 0.02 0.09 -0.04 4.32 4.39 2vhiE1 THR 386 HG23 -0.00 0.00 0.04 -0.04 1.22 1.21