============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. PHE 12 1.000 20.037 -6.121 17.834 -99.200 -91.000 PHE 16 1.000 19.204 -4.455 24.077 -99.200 -91.000 TYR 17 0.840 11.276 -6.247 27.930 -99.200 -91.000 TYR 19 0.840 12.165 -11.988 25.508 -99.200 -91.000 PHE 23 1.000 16.737 -20.199 31.817 -99.200 -91.000 HIS 27 0.900 12.921 -22.818 33.480 -99.200 -91.000 TYR 28 0.840 8.678 -27.711 27.157 -99.200 -91.000 PHE 41 1.000 4.374 -29.040 31.666 -99.200 -91.000 TYR 42 0.840 -3.178 -26.328 26.158 -99.200 -91.000 HIS 52 0.900 8.755 -13.287 15.472 -99.200 -91.000 PHE 57 1.000 7.485 -21.401 25.550 -99.200 -91.000 TRP 60 1.040 10.694 -26.429 21.739 -99.200 -91.000 TRP6 60 1.020 11.127 -24.524 23.070 -99.200 -91.000 HIS 77 0.900 -0.935 -13.138 13.083 -99.200 -91.000 PHE 80 1.000 0.951 -22.205 20.376 -99.200 -91.000 PHE 87 1.000 -11.706 -16.701 24.109 -99.200 -91.000 TYR 106 0.840 -8.819 -30.064 23.932 -99.200 -91.000 PHE 117 1.000 -28.999 -21.661 28.597 -99.200 -91.000 TYR 118 0.840 -24.639 -14.529 26.016 -99.200 -91.000 PHE 142 1.000 -7.249 -25.896 46.881 -99.200 -91.000 PHE 154 1.000 -10.538 -14.066 37.526 -99.200 -91.000 PHE 173 1.000 -27.340 -27.599 17.023 -99.200 -91.000 PHE 176 1.000 -18.099 -31.257 31.231 -99.200 -91.000 HIS 180 0.900 -8.487 -23.452 33.496 -99.200 -91.000 TYR 182 0.840 -4.308 -19.211 37.022 -99.200 -91.000 TYR 199 0.840 -11.045 -29.455 45.940 -99.200 -91.000 TYR 208 0.840 -17.501 -42.738 36.156 -99.200 -91.000 TYR 211 0.840 -22.873 -33.946 37.793 -99.200 -91.000 PHE 224 1.000 3.996 -25.225 38.194 -99.200 -91.000 TYR 228 0.840 9.405 -11.989 39.493 -99.200 -91.000 PHE 229 1.000 10.296 -8.511 44.745 -99.200 -91.000 TYR 245 0.840 -4.401 -37.555 43.506 -99.200 -91.000 PHE 254 1.000 -11.150 -39.314 35.434 -99.200 -91.000 PHE 259 1.000 -5.444 -36.127 33.978 -99.200 -91.000 TYR 266 0.840 9.187 -23.147 36.240 -99.200 -91.000 TYR 274 0.840 13.509 -2.427 29.964 -99.200 -91.000 TYR 280 0.840 20.590 13.357 30.435 -99.200 -91.000 PHE 289 1.000 16.625 11.371 42.949 -99.200 -91.000 HIS 297 0.900 8.889 4.024 28.575 -99.200 -91.000 HIS 298 0.900 10.137 0.809 26.436 -99.200 -91.000 HIS 299 0.900 10.187 -5.103 33.830 -99.200 -91.000 TYR 306 0.840 22.998 -2.194 39.316 -99.200 -91.000 HIS 330 0.900 22.391 1.029 50.323 -99.200 -91.000 TYR 335 0.840 30.229 7.975 37.806 -99.200 -91.000 TYR 348 0.840 2.224 -12.274 33.701 -99.200 -91.000 PHE 352 1.000 1.322 -6.309 34.371 -99.200 -91.000 HIS 356 0.900 1.011 2.905 21.981 -99.200 -91.000 PHE 357 1.000 1.939 8.112 31.341 -99.200 -91.000 HIS 360 0.900 9.616 8.442 26.220 -99.200 -91.000 TYR 373 0.840 23.335 -12.307 20.009 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2j66A1 ASP 4 HA 0.01 -0.03 0.23 -0.75 4.63 4.08 2j66A1 ASP 4 HB2 0.02 0.09 0.05 -0.04 2.71 2.83 2j66A1 ASP 4 HB3 0.04 -0.01 0.09 -0.04 2.70 2.77 2j66A1 GLN 5 H 0.00 0.19 0.09 -0.55 8.47 8.21 2j66A1 GLN 5 HA -0.00 0.10 0.35 -0.75 4.36 4.06 2j66A1 GLN 5 HB2 0.01 -0.03 0.10 -0.04 2.15 2.19 2j66A1 GLN 5 HB3 0.01 0.03 0.02 -0.04 2.02 2.03 2j66A1 GLN 5 HG2 -0.01 0.04 -0.02 -0.04 2.40 2.37 2j66A1 GLN 5 HG3 0.00 -0.02 0.08 -0.04 2.39 2.41 2j66A1 GLN 5 HE21 0.02 0.05 0.06 -0.04 6.97 7.06 2j66A1 GLN 5 HE22 0.01 -0.07 0.04 -0.04 7.69 7.64 2j66A1 ALA 6 H 0.01 0.10 -0.16 -0.55 8.40 7.81 2j66A1 ALA 6 HA 0.01 0.10 0.38 -0.75 4.34 4.08 2j66A1 ALA 6 HB3 0.02 0.02 0.02 -0.04 1.41 1.43 2j66A1 GLU 7 H 0.03 0.09 -0.37 -0.55 8.60 7.81 2j66A1 GLU 7 HA 0.05 0.05 0.36 -0.75 4.29 4.00 2j66A1 GLU 7 HB2 0.08 -0.05 0.03 -0.04 2.09 2.11 2j66A1 GLU 7 HB3 0.06 0.25 0.11 -0.04 1.99 2.36 2j66A1 GLU 7 HG2 0.09 0.03 -0.38 -0.04 2.34 2.03 2j66A1 GLU 7 HG3 0.19 -0.02 -0.07 -0.04 2.34 2.39 2j66A1 ILE 8 H 0.03 0.54 -0.10 -0.55 8.25 8.17 2j66A1 ILE 8 HA 0.07 0.01 0.33 -0.75 4.18 3.84 2j66A1 ILE 8 HB 0.00 0.04 0.08 -0.04 1.89 1.98 2j66A1 ILE 8 HG12 0.04 -0.05 -0.07 -0.04 1.49 1.37 2j66A1 ILE 8 HG13 0.03 0.17 -0.03 -0.04 1.21 1.34 2j66A1 ILE 8 HG23 -0.01 -0.00 -0.21 -0.04 0.93 0.67 2j66A1 ILE 8 HD13 -0.03 -0.02 -0.17 -0.04 0.88 0.62 2j66A1 THR 9 H 0.02 0.68 -0.11 -0.55 8.28 8.32 2j66A1 THR 9 HA 0.02 0.04 0.35 -0.75 4.39 4.04 2j66A1 THR 9 HB 0.01 0.04 0.11 -0.04 4.32 4.44 2j66A1 THR 9 HG23 0.01 -0.00 -0.10 -0.04 1.22 1.08 2j66A1 ALA 10 H 0.01 0.52 -0.21 -0.55 8.40 8.17 2j66A1 ALA 10 HA -0.01 0.02 0.37 -0.75 4.34 3.97 2j66A1 ALA 10 HB3 -0.01 0.02 0.09 -0.04 1.41 1.47 2j66A1 LEU 11 H 0.01 0.44 -0.34 -0.55 8.37 7.93 2j66A1 LEU 11 HA -0.07 -0.00 0.46 -0.75 4.35 3.99 2j66A1 LEU 11 HB2 0.09 0.17 0.14 -0.04 1.64 2.00 2j66A1 LEU 11 HB3 -0.03 -0.06 -0.06 -0.04 1.64 1.46 2j66A1 LEU 11 HG -0.25 0.12 -0.03 -0.04 1.64 1.45 2j66A1 LEU 11 HD13 -0.12 -0.04 -0.15 -0.04 0.93 0.58 2j66A1 LEU 11 HD23 -0.70 -0.02 -0.06 -0.04 0.89 0.06 2j66A1 THR 12 H 0.12 0.48 -0.17 -0.55 8.28 8.16 2j66A1 THR 12 HA 0.36 0.22 0.42 -0.75 4.39 4.64 2j66A1 THR 12 HB 0.07 -0.06 0.10 -0.04 4.32 4.38 2j66A1 THR 12 HG23 0.06 0.05 -0.02 -0.04 1.22 1.27 2j66A1 LYS 13 H 0.01 0.28 -0.68 -0.55 8.42 7.47 2j66A1 LYS 13 HA -0.01 0.08 0.54 -0.75 4.32 4.18 2j66A1 LYS 13 HB2 -0.04 0.12 0.06 -0.04 1.87 1.97 2j66A1 LYS 13 HB3 -0.03 -0.08 0.06 -0.04 1.79 1.70 2j66A1 LYS 13 HG2 -0.00 0.21 0.07 -0.04 1.46 1.69 2j66A1 LYS 13 HG3 -0.01 -0.10 0.01 -0.04 1.46 1.31 2j66A1 LYS 13 HD2 -0.01 -0.05 -0.02 -0.04 1.69 1.57 2j66A1 LYS 13 HD3 0.00 0.03 -0.18 -0.04 1.68 1.49 2j66A1 LYS 13 HE2 0.00 0.12 -0.10 -0.04 2.99 2.96 2j66A1 LYS 13 HE3 -0.00 -0.08 -0.08 -0.04 2.99 2.79 2j66A1 ARG 14 H -0.10 0.29 -0.18 -0.55 8.46 7.92 2j66A1 ARG 14 HA -0.23 0.14 0.82 -0.75 4.34 4.31 2j66A1 ARG 14 HB2 -0.53 0.04 0.08 -0.04 1.90 1.45 2j66A1 ARG 14 HB3 -0.60 -0.07 0.06 -0.04 1.80 1.14 2j66A1 ARG 14 HG2 -0.17 -0.01 -0.08 -0.04 1.67 1.37 2j66A1 ARG 14 HG3 -0.15 0.09 -0.05 -0.04 1.67 1.52 2j66A1 ARG 14 HD2 -0.10 -0.03 -0.03 -0.04 3.22 3.02 2j66A1 ARG 14 HD3 -0.18 -0.01 -0.03 -0.04 3.22 2.96 2j66A1 PHE 15 H -0.01 0.62 0.12 -0.55 8.34 8.51 2j66A1 PHE 15 HA -0.06 0.10 0.91 -0.75 4.62 4.82 2j66A1 PHE 15 HB2 -0.50 0.03 -0.05 -0.04 3.15 2.59 2j66A1 PHE 15 HB3 -0.34 0.01 -0.13 -0.04 3.06 2.56 2j66A1 PHE 15 HD2 -0.25 0.03 -0.03 -0.04 7.28 6.99 2j66A1 PHE 15 HE2 -0.17 -0.04 -0.07 -0.04 7.38 7.05 2j66A1 PHE 15 HZ -0.07 -0.02 -0.13 -0.04 7.32 7.06 2j66A1 GLU 16 H 0.17 0.07 0.07 -0.55 8.60 8.37 2j66A1 GLU 16 HA 0.14 0.10 0.49 -0.75 4.29 4.27 2j66A1 GLU 16 HB2 0.08 -0.01 0.07 -0.04 2.09 2.20 2j66A1 GLU 16 HB3 0.13 -0.08 0.14 -0.04 1.99 2.13 2j66A1 GLU 16 HG2 0.11 0.18 -0.32 -0.04 2.34 2.28 2j66A1 GLU 16 HG3 0.08 -0.02 0.05 -0.04 2.34 2.41 2j66A1 THR 17 H 0.09 0.11 0.19 -0.55 8.28 8.13 2j66A1 THR 17 HA -0.02 0.05 0.41 -0.75 4.39 4.07 2j66A1 THR 17 HB -0.26 -0.07 0.14 -0.04 4.32 4.09 2j66A1 THR 17 HG23 -0.34 0.03 -0.07 -0.04 1.22 0.79 2j66A1 PRO 18 HA -0.41 0.27 0.59 -0.51 4.44 4.38 2j66A1 PRO 18 HB2 -0.47 -0.01 -0.05 -0.04 2.28 1.71 2j66A1 PRO 18 HB3 -0.27 -0.15 -0.00 -0.04 2.02 1.56 2j66A1 PRO 18 HG2 0.34 0.01 0.09 -0.04 2.03 2.44 2j66A1 PRO 18 HG3 0.19 0.01 0.11 -0.04 2.03 2.30 2j66A1 PRO 18 HD2 0.16 0.15 0.42 -0.04 3.68 4.37 2j66A1 PRO 18 HD3 0.04 0.10 0.02 -0.04 3.65 3.76 2j66A1 PHE 19 H -0.73 0.44 0.35 -0.55 8.34 7.85 2j66A1 PHE 19 HA -0.01 0.18 0.73 -0.75 4.62 4.76 2j66A1 PHE 19 HB2 -0.05 0.06 0.01 -0.04 3.15 3.13 2j66A1 PHE 19 HB3 -0.02 0.19 -0.13 -0.04 3.06 3.05 2j66A1 PHE 19 HD2 -0.05 0.10 -0.75 -0.04 7.28 6.54 2j66A1 PHE 19 HE2 -0.04 0.06 -0.21 -0.04 7.38 7.16 2j66A1 PHE 19 HZ -0.04 0.01 -0.18 -0.04 7.32 7.07 2j66A1 TYR 20 H 0.38 0.60 0.35 -0.55 8.29 9.07 2j66A1 TYR 20 HA 0.05 0.24 1.01 -0.75 4.56 5.11 2j66A1 TYR 20 HB2 0.14 -0.00 0.21 -0.04 3.06 3.36 2j66A1 TYR 20 HB3 -0.24 -0.03 -0.05 -0.04 2.98 2.62 2j66A1 TYR 20 HD2 -0.03 0.04 -0.12 -0.04 7.15 7.00 2j66A1 TYR 20 HE2 -0.09 0.14 -0.02 -0.04 6.85 6.84 2j66A1 LEU 21 H 0.00 0.65 0.35 -0.55 8.37 8.83 2j66A1 LEU 21 HA 0.05 0.18 1.02 -0.75 4.35 4.84 2j66A1 LEU 21 HB2 0.20 0.03 -0.07 -0.04 1.64 1.76 2j66A1 LEU 21 HB3 0.09 0.00 0.15 -0.04 1.64 1.83 2j66A1 LEU 21 HG 0.07 -0.03 -0.34 -0.04 1.64 1.30 2j66A1 LEU 21 HD13 0.08 0.01 -0.09 -0.04 0.93 0.89 2j66A1 LEU 21 HD23 0.10 -0.00 -0.12 -0.04 0.89 0.83 2j66A1 TYR 22 H 0.23 0.78 0.42 -0.55 8.29 9.17 2j66A1 TYR 22 HA 0.07 0.32 1.07 -0.75 4.56 5.27 2j66A1 TYR 22 HB2 0.04 -0.04 0.20 -0.04 3.06 3.21 2j66A1 TYR 22 HB3 0.07 0.00 -0.05 -0.04 2.98 2.96 2j66A1 TYR 22 HD2 0.06 0.11 -0.12 -0.04 7.15 7.16 2j66A1 TYR 22 HE2 0.01 0.06 -0.05 -0.04 6.85 6.83 2j66A1 ASP 23 H 0.14 0.88 0.37 -0.55 8.40 9.24 2j66A1 ASP 23 HA 0.10 0.10 0.85 -0.75 4.63 4.93 2j66A1 ASP 23 HB2 0.04 0.12 0.13 -0.04 2.71 2.95 2j66A1 ASP 23 HB3 0.12 0.03 0.34 -0.04 2.70 3.14 2j66A1 GLY 24 H 0.10 0.80 0.38 -0.55 8.43 9.16 2j66A1 GLY 24 HA2 0.13 0.04 0.43 -0.51 4.01 4.10 2j66A1 GLY 24 HA3 0.08 0.13 0.37 -0.51 4.01 4.08 2j66A1 ASP 25 H 0.08 0.15 -0.10 -0.55 8.40 7.98 2j66A1 ASP 25 HA 0.04 0.11 0.52 -0.75 4.63 4.55 2j66A1 ASP 25 HB2 0.07 0.01 0.07 -0.04 2.71 2.82 2j66A1 ASP 25 HB3 0.03 0.07 0.05 -0.04 2.70 2.81 2j66A1 PHE 26 H 0.22 0.11 -0.20 -0.55 8.34 7.91 2j66A1 PHE 26 HA 0.00 0.05 0.43 -0.75 4.62 4.35 2j66A1 PHE 26 HB2 -0.00 -0.03 0.11 -0.04 3.15 3.19 2j66A1 PHE 26 HB3 0.02 0.19 0.20 -0.04 3.06 3.43 2j66A1 PHE 26 HD2 -0.03 -0.00 -0.10 -0.04 7.28 7.11 2j66A1 PHE 26 HE2 -0.23 -0.03 -0.15 -0.04 7.38 6.93 2j66A1 PHE 26 HZ -0.39 -0.00 -0.06 -0.04 7.32 6.83 2j66A1 ILE 27 H 0.21 0.44 -0.03 -0.55 8.25 8.32 2j66A1 ILE 27 HA 0.07 0.08 0.38 -0.75 4.18 3.96 2j66A1 ILE 27 HB 0.18 0.05 0.15 -0.04 1.89 2.24 2j66A1 ILE 27 HG12 0.27 0.04 0.08 -0.04 1.49 1.84 2j66A1 ILE 27 HG13 0.26 0.19 0.09 -0.04 1.21 1.71 2j66A1 ILE 27 HG23 0.17 0.03 -0.12 -0.04 0.93 0.97 2j66A1 ILE 27 HD13 0.15 -0.02 -0.06 -0.04 0.88 0.91 2j66A1 GLU 28 H 0.02 0.43 -0.24 -0.55 8.60 8.26 2j66A1 GLU 28 HA -0.94 0.06 0.44 -0.75 4.29 3.10 2j66A1 GLU 28 HB2 -0.01 0.05 0.14 -0.04 2.09 2.22 2j66A1 GLU 28 HB3 -0.17 0.03 0.14 -0.04 1.99 1.95 2j66A1 GLU 28 HG2 -0.59 -0.03 -0.12 -0.04 2.34 1.56 2j66A1 GLU 28 HG3 -1.78 0.03 0.04 -0.04 2.34 0.59 2j66A1 ALA 29 H -0.17 0.53 -0.02 -0.55 8.40 8.20 2j66A1 ALA 29 HA -0.20 0.03 0.44 -0.75 4.34 3.85 2j66A1 ALA 29 HB3 -0.13 -0.00 0.11 -0.04 1.41 1.36 2j66A1 HIS 30 H -0.35 0.76 -0.08 -0.55 8.41 8.20 2j66A1 HIS 30 HA -0.33 -0.04 0.37 -0.75 4.63 3.88 2j66A1 HIS 30 HB2 -1.33 -0.00 0.08 -0.04 3.26 1.97 2j66A1 HIS 30 HB3 -0.44 0.15 0.13 -0.04 3.20 3.01 2j66A1 HIS 30 HD2 -0.20 0.06 -0.04 -0.04 6.97 6.74 2j66A1 HIS 30 HE1 -0.25 -0.06 -0.01 -0.04 7.75 7.38 2j66A1 TYR 31 H -0.06 0.55 -0.18 -0.55 8.29 8.05 2j66A1 TYR 31 HA -0.18 -0.03 0.45 -0.75 4.56 4.05 2j66A1 TYR 31 HB2 0.16 -0.03 0.10 -0.04 3.06 3.25 2j66A1 TYR 31 HB3 -0.35 0.13 0.21 -0.04 2.98 2.93 2j66A1 TYR 31 HD2 -0.35 -0.02 -0.02 -0.04 7.15 6.71 2j66A1 TYR 31 HE2 -0.01 0.03 -0.04 -0.04 6.85 6.79 2j66A1 ARG 32 H -0.34 0.74 0.01 -0.55 8.46 8.32 2j66A1 ARG 32 HA -0.64 0.03 0.42 -0.75 4.34 3.40 2j66A1 ARG 32 HB2 -0.27 0.05 0.16 -0.04 1.90 1.80 2j66A1 ARG 32 HB3 -0.24 -0.05 0.05 -0.04 1.80 1.52 2j66A1 ARG 32 HG2 -0.31 0.00 0.05 -0.04 1.67 1.38 2j66A1 ARG 32 HG3 -0.45 0.14 0.11 -0.04 1.67 1.43 2j66A1 ARG 32 HD2 -0.26 -0.05 -0.04 -0.04 3.22 2.83 2j66A1 ARG 32 HD3 -0.19 -0.02 0.01 -0.04 3.22 2.98 2j66A1 GLN 33 H -0.27 0.54 -0.29 -0.55 8.47 7.91 2j66A1 GLN 33 HA -0.15 0.02 0.42 -0.75 4.36 3.90 2j66A1 GLN 33 HB2 -0.19 0.12 0.11 -0.04 2.15 2.16 2j66A1 GLN 33 HB3 -0.11 -0.09 0.01 -0.04 2.02 1.79 2j66A1 GLN 33 HG2 -0.10 -0.07 0.01 -0.04 2.40 2.20 2j66A1 GLN 33 HG3 -0.16 0.39 0.10 -0.04 2.39 2.68 2j66A1 GLN 33 HE21 -0.01 -0.04 -0.04 -0.04 6.97 6.83 2j66A1 GLN 33 HE22 -0.05 -0.01 -0.03 -0.04 7.69 7.57 2j66A1 LEU 34 H -0.31 0.41 -0.19 -0.55 8.37 7.73 2j66A1 LEU 34 HA -0.11 -0.05 0.39 -0.75 4.35 3.83 2j66A1 LEU 34 HB2 -0.13 -0.04 0.08 -0.04 1.64 1.51 2j66A1 LEU 34 HB3 -0.38 0.20 0.19 -0.04 1.64 1.61 2j66A1 LEU 34 HG -0.64 0.07 -0.30 -0.04 1.64 0.73 2j66A1 LEU 34 HD13 0.07 -0.03 -0.04 -0.04 0.93 0.89 2j66A1 LEU 34 HD23 -0.30 -0.02 -0.10 -0.04 0.89 0.43 2j66A1 ARG 35 H -0.55 0.65 -0.04 -0.55 8.46 7.96 2j66A1 ARG 35 HA 0.08 0.02 0.36 -0.75 4.34 4.05 2j66A1 ARG 35 HB2 -0.80 -0.04 0.07 -0.04 1.90 1.09 2j66A1 ARG 35 HB3 -0.51 0.03 0.17 -0.04 1.80 1.46 2j66A1 ARG 35 HG2 -0.07 -0.02 -0.01 -0.04 1.67 1.52 2j66A1 ARG 35 HG3 -0.05 0.02 -0.28 -0.04 1.67 1.33 2j66A1 ARG 35 HD2 0.30 -0.07 0.02 -0.04 3.22 3.43 2j66A1 ARG 35 HD3 0.16 0.03 0.01 -0.04 3.22 3.39 2j66A1 SER 36 H -0.17 0.58 -0.17 -0.55 8.46 8.16 2j66A1 SER 36 HA -0.05 0.05 0.36 -0.75 4.49 4.09 2j66A1 SER 36 HB2 -0.06 -0.09 0.07 -0.04 3.95 3.83 2j66A1 SER 36 HB3 -0.10 0.04 0.13 -0.04 3.93 3.96 2j66A1 ARG 37 H -0.04 0.33 -0.44 -0.55 8.46 7.75 2j66A1 ARG 37 HA -0.01 0.08 0.60 -0.75 4.34 4.26 2j66A1 ARG 37 HB2 -0.01 0.11 0.07 -0.04 1.90 2.03 2j66A1 ARG 37 HB3 -0.01 -0.14 0.11 -0.04 1.80 1.73 2j66A1 ARG 37 HG2 -0.02 -0.04 -0.02 -0.04 1.67 1.55 2j66A1 ARG 37 HG3 -0.04 0.11 -0.03 -0.04 1.67 1.67 2j66A1 ARG 37 HD2 -0.03 -0.12 -0.02 -0.04 3.22 3.01 2j66A1 ARG 37 HD3 -0.03 -0.06 -0.02 -0.04 3.22 3.06 2j66A1 THR 38 H 0.06 0.55 -0.40 -0.55 8.28 7.93 2j66A1 THR 38 HA 0.05 0.07 1.02 -0.75 4.39 4.78 2j66A1 THR 38 HB 0.28 0.13 0.05 -0.04 4.32 4.74 2j66A1 THR 38 HG23 -0.03 0.01 -0.10 -0.04 1.22 1.05 2j66A1 ASN 39 H -0.00 0.04 0.17 -0.55 8.53 8.19 2j66A1 ASN 39 HA -0.01 0.09 0.39 -0.75 4.76 4.49 2j66A1 ASN 39 HB2 -0.04 -0.02 0.23 -0.04 2.88 3.00 2j66A1 ASN 39 HB3 -0.06 -0.06 0.13 -0.04 2.79 2.75 2j66A1 ASN 39 HD21 -0.04 -0.00 0.04 -0.04 7.03 6.98 2j66A1 ASN 39 HD22 -0.05 0.08 0.07 -0.04 7.74 7.81 2j66A1 PRO 40 HA 0.04 0.21 0.49 -0.51 4.44 4.68 2j66A1 PRO 40 HB2 0.03 0.02 0.05 -0.04 2.28 2.34 2j66A1 PRO 40 HB3 0.03 0.04 0.15 -0.04 2.02 2.20 2j66A1 PRO 40 HG2 0.01 0.00 0.06 -0.04 2.03 2.07 2j66A1 PRO 40 HG3 0.01 0.01 0.08 -0.04 2.03 2.10 2j66A1 PRO 40 HD2 0.00 -0.01 0.24 -0.04 3.68 3.87 2j66A1 PRO 40 HD3 0.01 0.20 0.19 -0.04 3.65 4.01 2j66A1 ALA 41 H 0.01 -0.02 -0.43 -0.55 8.40 7.41 2j66A1 ALA 41 HA 0.07 0.13 0.45 -0.75 4.34 4.24 2j66A1 ALA 41 HB3 0.07 0.01 0.02 -0.04 1.41 1.47 2j66A1 ILE 42 H -0.01 0.48 -0.38 -0.55 8.25 7.79 2j66A1 ILE 42 HA 0.05 0.17 0.80 -0.75 4.18 4.44 2j66A1 ILE 42 HB -0.14 0.18 0.01 -0.04 1.89 1.89 2j66A1 ILE 42 HG12 -0.04 -0.03 -0.15 -0.04 1.49 1.23 2j66A1 ILE 42 HG13 -0.10 -0.07 -0.16 -0.04 1.21 0.84 2j66A1 ILE 42 HG23 -0.33 -0.05 -0.37 -0.04 0.93 0.14 2j66A1 ILE 42 HD13 -0.10 -0.03 -0.10 -0.04 0.88 0.60 2j66A1 GLN 43 H -0.02 0.75 0.36 -0.55 8.47 9.02 2j66A1 GLN 43 HA 0.04 0.21 0.90 -0.75 4.36 4.75 2j66A1 GLN 43 HB2 0.07 0.08 -0.01 -0.04 2.15 2.25 2j66A1 GLN 43 HB3 0.12 -0.06 0.08 -0.04 2.02 2.12 2j66A1 GLN 43 HG2 0.17 -0.05 -0.25 -0.04 2.40 2.23 2j66A1 GLN 43 HG3 0.11 0.09 0.08 -0.04 2.39 2.63 2j66A1 GLN 43 HE21 -0.06 -0.08 -0.07 -0.04 6.97 6.72 2j66A1 GLN 43 HE22 -0.02 0.38 0.05 -0.04 7.69 8.05 2j66A1 PHE 44 H 0.28 0.22 0.12 -0.55 8.34 8.42 2j66A1 PHE 44 HA 0.14 0.23 0.84 -0.75 4.62 5.08 2j66A1 PHE 44 HB2 0.27 0.04 0.08 -0.04 3.15 3.49 2j66A1 PHE 44 HB3 0.15 -0.06 -0.06 -0.04 3.06 3.05 2j66A1 PHE 44 HD2 0.14 0.04 -0.08 -0.04 7.28 7.34 2j66A1 PHE 44 HE2 0.05 0.02 -0.14 -0.04 7.38 7.28 2j66A1 PHE 44 HZ 0.08 0.01 -0.16 -0.04 7.32 7.21 2j66A1 TYR 45 H 0.28 0.55 0.35 -0.55 8.29 8.91 2j66A1 TYR 45 HA 0.00 0.24 0.84 -0.75 4.56 4.90 2j66A1 TYR 45 HB2 -0.05 -0.03 -0.11 -0.04 3.06 2.83 2j66A1 TYR 45 HB3 -0.09 -0.10 -0.31 -0.04 2.98 2.44 2j66A1 TYR 45 HD2 -0.07 -0.02 -0.63 -0.04 7.15 6.38 2j66A1 TYR 45 HE2 -0.07 0.06 -0.24 -0.04 6.85 6.55 2j66A1 LEU 46 H -0.16 0.80 0.22 -0.55 8.37 8.68 2j66A1 LEU 46 HA -0.19 0.23 0.71 -0.75 4.35 4.35 2j66A1 LEU 46 HB2 -0.40 0.05 0.07 -0.04 1.64 1.32 2j66A1 LEU 46 HB3 -0.23 0.09 0.18 -0.04 1.64 1.63 2j66A1 LEU 46 HG -0.22 -0.11 -0.52 -0.04 1.64 0.74 2j66A1 LEU 46 HD13 -0.70 0.02 0.01 -0.04 0.93 0.22 2j66A1 LEU 46 HD23 -0.05 0.01 -0.07 -0.04 0.89 0.74 2j66A1 SER 47 H -0.12 0.48 0.15 -0.55 8.46 8.43 2j66A1 SER 47 HA -0.08 0.18 0.73 -0.75 4.49 4.56 2j66A1 SER 47 HB2 -0.06 0.01 -0.10 -0.04 3.95 3.76 2j66A1 SER 47 HB3 -0.05 -0.12 0.02 -0.04 3.93 3.74 2j66A1 LEU 48 H -0.12 0.57 0.22 -0.55 8.37 8.50 2j66A1 LEU 48 HA -0.12 0.17 0.26 -0.75 4.35 3.91 2j66A1 LEU 48 HB2 -0.15 0.10 0.03 -0.04 1.64 1.58 2j66A1 LEU 48 HB3 -0.10 -0.11 0.04 -0.04 1.64 1.44 2j66A1 LEU 48 HG -0.07 -0.07 -0.10 -0.04 1.64 1.36 2j66A1 LEU 48 HD13 -0.07 0.04 -0.05 -0.04 0.93 0.81 2j66A1 LEU 48 HD23 -0.08 -0.02 -0.06 -0.04 0.89 0.68 2j66A1 LYS 49 H -0.05 0.10 -0.26 -0.55 8.42 7.66 2j66A1 LYS 49 HA -0.02 0.10 0.24 -0.75 4.32 3.89 2j66A1 LYS 49 HB2 0.09 0.08 0.03 -0.04 1.87 2.03 2j66A1 LYS 49 HB3 0.03 -0.05 0.02 -0.04 1.79 1.75 2j66A1 LYS 49 HG2 0.05 -0.07 -0.11 -0.04 1.46 1.29 2j66A1 LYS 49 HG3 0.22 0.03 -0.34 -0.04 1.46 1.33 2j66A1 LYS 49 HD2 0.17 0.07 -0.08 -0.04 1.69 1.81 2j66A1 LYS 49 HD3 0.07 -0.01 -0.07 -0.04 1.68 1.63 2j66A1 LYS 49 HE2 0.18 -0.01 -0.10 -0.04 2.99 3.02 2j66A1 LYS 49 HE3 0.07 0.05 -0.07 -0.04 2.99 3.00 2j66A1 ALA 50 H -0.17 0.33 -0.48 -0.55 8.40 7.53 2j66A1 ALA 50 HA -1.32 0.03 0.43 -0.75 4.34 2.73 2j66A1 ALA 50 HB3 -0.38 0.01 0.01 -0.04 1.41 1.02 2j66A1 ASN 51 H -0.15 0.49 -0.35 -0.55 8.53 7.96 2j66A1 ASN 51 HA -0.10 -0.06 0.47 -0.75 4.76 4.31 2j66A1 ASN 51 HB2 -0.08 0.20 -0.17 -0.04 2.88 2.79 2j66A1 ASN 51 HB3 -0.07 -0.01 0.03 -0.04 2.79 2.70 2j66A1 ASN 51 HD21 0.07 -0.07 0.01 -0.04 7.03 7.00 2j66A1 ASN 51 HD22 0.09 0.60 0.12 -0.04 7.74 8.51 2j66A1 ASN 52 H -0.06 0.09 0.05 -0.55 8.53 8.07 2j66A1 ASN 52 HA -0.06 0.23 0.60 -0.75 4.76 4.78 2j66A1 ASN 52 HB2 -0.03 -0.00 0.14 -0.04 2.88 2.94 2j66A1 ASN 52 HB3 -0.03 0.01 0.03 -0.04 2.79 2.77 2j66A1 ASN 52 HD21 -0.01 0.05 -0.01 -0.04 7.03 7.03 2j66A1 ASN 52 HD22 -0.01 -0.01 0.01 -0.04 7.74 7.69 2j66A1 ASN 53 H -0.08 0.10 -0.42 -0.55 8.53 7.58 2j66A1 ASN 53 HA -0.07 0.16 0.65 -0.75 4.76 4.75 2j66A1 ASN 53 HB2 -0.10 0.04 0.06 -0.04 2.88 2.84 2j66A1 ASN 53 HB3 -0.16 -0.04 0.12 -0.04 2.79 2.67 2j66A1 ASN 53 HD21 0.05 0.38 -0.04 -0.04 7.03 7.39 2j66A1 ASN 53 HD22 -0.02 -0.02 -0.03 -0.04 7.74 7.62 2j66A1 ILE 54 H -0.15 0.28 0.23 -0.55 8.25 8.06 2j66A1 ILE 54 HA -0.08 0.07 0.32 -0.75 4.18 3.73 2j66A1 ILE 54 HB -0.16 0.09 -0.03 -0.04 1.89 1.75 2j66A1 ILE 54 HG12 -0.33 -0.05 0.14 -0.04 1.49 1.21 2j66A1 ILE 54 HG13 -0.80 0.01 -0.13 -0.04 1.21 0.26 2j66A1 ILE 54 HG23 -0.10 0.04 0.07 -0.04 0.93 0.90 2j66A1 ILE 54 HD13 -0.31 0.03 -0.04 -0.04 0.88 0.53 2j66A1 HIS 55 H -0.20 0.09 -0.25 -0.55 8.41 7.50 2j66A1 HIS 55 HA -0.11 0.18 0.48 -0.75 4.63 4.43 2j66A1 HIS 55 HB2 -0.12 -0.04 0.03 -0.04 3.26 3.09 2j66A1 HIS 55 HB3 -0.11 0.04 0.00 -0.04 3.20 3.09 2j66A1 HIS 55 HD2 -0.07 0.23 0.17 -0.04 6.97 7.25 2j66A1 HIS 55 HE1 -0.05 0.03 -0.02 -0.04 7.75 7.67 2j66A1 LEU 56 H -0.08 0.15 -0.23 -0.55 8.37 7.67 2j66A1 LEU 56 HA -0.16 0.09 0.50 -0.75 4.35 4.03 2j66A1 LEU 56 HB2 -0.09 0.12 0.08 -0.04 1.64 1.71 2j66A1 LEU 56 HB3 -0.04 0.01 -0.02 -0.04 1.64 1.56 2j66A1 LEU 56 HG -0.30 -0.07 -0.03 -0.04 1.64 1.20 2j66A1 LEU 56 HD13 -0.81 -0.00 -0.03 -0.04 0.93 0.04 2j66A1 LEU 56 HD23 -0.29 0.01 -0.09 -0.04 0.89 0.48 2j66A1 ALA 57 H -0.02 0.44 -0.08 -0.55 8.40 8.18 2j66A1 ALA 57 HA 0.27 -0.00 0.31 -0.75 4.34 4.17 2j66A1 ALA 57 HB3 0.14 0.03 0.00 -0.04 1.41 1.55 2j66A1 LYS 58 H -0.13 0.40 -0.40 -0.55 8.42 7.74 2j66A1 LYS 58 HA -0.35 0.19 0.42 -0.75 4.32 3.83 2j66A1 LYS 58 HB2 -0.18 0.09 0.18 -0.04 1.87 1.92 2j66A1 LYS 58 HB3 -0.18 0.06 0.12 -0.04 1.79 1.75 2j66A1 LYS 58 HG2 -0.26 -0.07 -0.22 -0.04 1.46 0.87 2j66A1 LYS 58 HG3 -0.24 0.11 0.07 -0.04 1.46 1.36 2j66A1 LYS 58 HD2 -0.11 0.04 -0.00 -0.04 1.69 1.58 2j66A1 LYS 58 HD3 -0.09 -0.06 -0.01 -0.04 1.68 1.48 2j66A1 LYS 58 HE2 -0.13 -0.04 -0.04 -0.04 2.99 2.74 2j66A1 LYS 58 HE3 -0.13 0.05 -0.02 -0.04 2.99 2.85 2j66A1 LEU 59 H -0.39 0.31 -0.35 -0.55 8.37 7.39 2j66A1 LEU 59 HA -0.88 0.03 0.38 -0.75 4.35 3.13 2j66A1 LEU 59 HB2 -0.98 0.15 0.14 -0.04 1.64 0.92 2j66A1 LEU 59 HB3 -1.77 -0.06 -0.01 -0.04 1.64 -0.23 2j66A1 LEU 59 HG -0.34 0.21 0.15 -0.04 1.64 1.62 2j66A1 LEU 59 HD13 -0.20 -0.04 0.03 -0.04 0.93 0.68 2j66A1 LEU 59 HD23 -0.28 -0.02 -0.00 -0.04 0.89 0.55 2j66A1 PHE 60 H -0.48 0.31 -0.18 -0.55 8.34 7.44 2j66A1 PHE 60 HA -0.32 0.01 0.40 -0.75 4.62 3.96 2j66A1 PHE 60 HB2 -0.01 0.15 0.10 -0.04 3.15 3.36 2j66A1 PHE 60 HB3 -0.02 -0.03 -0.01 -0.04 3.06 2.96 2j66A1 PHE 60 HD2 -0.06 0.04 -0.05 -0.04 7.28 7.16 2j66A1 PHE 60 HE2 0.09 -0.02 -0.10 -0.04 7.38 7.31 2j66A1 PHE 60 HZ 0.14 0.09 -0.14 -0.04 7.32 7.37 2j66A1 ARG 61 H -0.40 0.46 -0.19 -0.55 8.46 7.78 2j66A1 ARG 61 HA -0.51 0.13 0.37 -0.75 4.34 3.58 2j66A1 ARG 61 HB2 -2.09 -0.07 -0.03 -0.04 1.90 -0.33 2j66A1 ARG 61 HB3 -0.69 0.15 0.14 -0.04 1.80 1.36 2j66A1 ARG 61 HG2 -0.61 -0.05 -0.05 -0.04 1.67 0.92 2j66A1 ARG 61 HG3 -0.93 -0.09 -0.56 -0.04 1.67 0.04 2j66A1 ARG 61 HD2 -0.34 -0.01 -0.45 -0.04 3.22 2.38 2j66A1 ARG 61 HD3 -0.27 0.01 -0.12 -0.04 3.22 2.79 2j66A1 GLN 62 H -0.52 0.58 -0.14 -0.55 8.47 7.84 2j66A1 GLN 62 HA -0.20 0.03 0.43 -0.75 4.36 3.86 2j66A1 GLN 62 HB2 -0.64 0.10 0.15 -0.04 2.15 1.72 2j66A1 GLN 62 HB3 -0.21 -0.09 0.06 -0.04 2.02 1.74 2j66A1 GLN 62 HG2 -0.21 -0.04 0.04 -0.04 2.40 2.14 2j66A1 GLN 62 HG3 -0.35 0.24 0.09 -0.04 2.39 2.33 2j66A1 GLN 62 HE21 -0.12 -0.07 -0.02 -0.04 6.97 6.72 2j66A1 GLN 62 HE22 -0.13 0.01 -0.01 -0.04 7.69 7.52 2j66A1 TRP 63 H -0.34 0.32 -0.34 -0.55 7.97 7.06 2j66A1 TRP 63 HA -0.01 0.08 0.63 -0.75 4.62 4.56 2j66A1 TRP 63 HB2 -0.24 0.02 0.11 -0.04 3.23 3.07 2j66A1 TRP 63 HB3 0.05 -0.06 0.14 -0.04 3.23 3.32 2j66A1 TRP 63 HD1 -0.03 0.06 -0.14 -0.04 7.22 7.07 2j66A1 TRP 63 HE1 -0.07 -0.06 -0.03 -0.04 10.20 10.00 2j66A1 TRP 63 HE3 -0.54 -0.01 -0.08 -0.04 7.59 6.92 2j66A1 TRP 63 HZ2 -0.14 -0.04 -0.01 -0.04 7.44 7.21 2j66A1 TRP 63 HZ3 -0.88 -0.02 -0.18 -0.04 7.13 6.01 2j66A1 TRP 63 HH2 -0.30 -0.08 -0.11 -0.04 7.19 6.67 2j66A1 GLY 64 H 0.01 0.44 -0.39 -0.55 8.43 7.94 2j66A1 GLY 64 HA2 0.03 0.02 0.30 -0.51 4.01 3.85 2j66A1 GLY 64 HA3 0.12 0.10 0.74 -0.51 4.01 4.45 2j66A1 LEU 65 H 0.09 0.32 0.01 -0.55 8.37 8.25 2j66A1 LEU 65 HA 0.08 0.13 0.61 -0.75 4.35 4.42 2j66A1 LEU 65 HB2 0.16 -0.03 -0.04 -0.04 1.64 1.68 2j66A1 LEU 65 HB3 0.03 -0.02 0.06 -0.04 1.64 1.67 2j66A1 LEU 65 HG 0.22 0.00 -0.04 -0.04 1.64 1.78 2j66A1 LEU 65 HD13 -0.29 -0.02 -0.06 -0.04 0.93 0.52 2j66A1 LEU 65 HD23 0.00 -0.06 -0.16 -0.04 0.89 0.62 2j66A1 GLY 66 H -0.42 0.42 0.37 -0.55 8.43 8.24 2j66A1 GLY 66 HA2 -0.36 0.23 0.85 -0.51 4.01 4.22 2j66A1 GLY 66 HA3 -1.91 -0.02 0.36 -0.51 4.01 1.92 2j66A1 VAL 67 H -0.54 0.73 0.37 -0.55 8.24 8.25 2j66A1 VAL 67 HA -0.39 0.14 0.94 -0.75 4.13 4.07 2j66A1 VAL 67 HB -2.11 0.09 -0.15 -0.04 2.12 -0.10 2j66A1 VAL 67 HG13 -0.67 0.02 -0.01 -0.04 0.97 0.26 2j66A1 VAL 67 HG23 -0.45 -0.03 -0.11 -0.04 0.95 0.32 2j66A1 GLU 68 H -0.10 0.73 0.25 -0.55 8.60 8.94 2j66A1 GLU 68 HA 0.03 0.28 0.92 -0.75 4.29 4.76 2j66A1 GLU 68 HB2 0.03 0.03 -0.14 -0.04 2.09 1.97 2j66A1 GLU 68 HB3 -0.03 -0.10 0.04 -0.04 1.99 1.85 2j66A1 GLU 68 HG2 -0.01 0.13 -0.14 -0.04 2.34 2.28 2j66A1 GLU 68 HG3 -0.08 -0.01 -0.15 -0.04 2.34 2.06 2j66A1 VAL 69 H -0.04 0.78 0.35 -0.55 8.24 8.78 2j66A1 VAL 69 HA -0.11 0.05 0.89 -0.75 4.13 4.21 2j66A1 VAL 69 HB -0.25 -0.21 -0.06 -0.04 2.12 1.56 2j66A1 VAL 69 HG13 -0.17 0.05 -0.28 -0.04 0.97 0.52 2j66A1 VAL 69 HG23 -0.35 0.07 -0.10 -0.04 0.95 0.53 2j66A1 ALA 70 H -0.07 0.06 0.15 -0.55 8.40 8.00 2j66A1 ALA 70 HA 0.23 0.52 1.04 -0.75 4.34 5.38 2j66A1 ALA 70 HB3 0.07 -0.01 0.01 -0.04 1.41 1.44 2j66A1 SER 71 H -0.30 0.20 0.09 -0.55 8.46 7.90 2j66A1 SER 71 HA 0.19 0.20 0.51 -0.75 4.49 4.64 2j66A1 SER 71 HB2 0.04 -0.02 0.19 -0.04 3.95 4.12 2j66A1 SER 71 HB3 0.06 0.27 -0.13 -0.04 3.93 4.09 2j66A1 ALA 72 H 0.04 0.22 0.17 -0.55 8.40 8.28 2j66A1 ALA 72 HA -0.17 0.18 0.47 -0.75 4.34 4.06 2j66A1 ALA 72 HB3 0.04 0.04 0.09 -0.04 1.41 1.54 2j66A1 GLY 73 H -0.03 0.04 -0.14 -0.55 8.43 7.76 2j66A1 GLY 73 HA2 -0.01 0.19 0.45 -0.51 4.01 4.12 2j66A1 GLY 73 HA3 -0.01 0.10 0.25 -0.51 4.01 3.84 2j66A1 GLU 74 H -0.09 0.01 -0.24 -0.55 8.60 7.74 2j66A1 GLU 74 HA -0.06 0.14 0.43 -0.75 4.29 4.04 2j66A1 GLU 74 HB2 -0.15 -0.15 0.15 -0.04 2.09 1.90 2j66A1 GLU 74 HB3 -0.12 0.07 0.03 -0.04 1.99 1.93 2j66A1 GLU 74 HG2 -0.05 0.13 -0.04 -0.04 2.34 2.33 2j66A1 GLU 74 HG3 -0.04 0.00 -0.03 -0.04 2.34 2.24 2j66A1 LEU 75 H -0.21 0.29 -0.40 -0.55 8.37 7.50 2j66A1 LEU 75 HA -0.16 0.05 0.34 -0.75 4.35 3.83 2j66A1 LEU 75 HB2 -0.35 -0.03 0.04 -0.04 1.64 1.26 2j66A1 LEU 75 HB3 -0.16 0.13 0.15 -0.04 1.64 1.71 2j66A1 LEU 75 HG -0.07 0.05 -0.26 -0.04 1.64 1.31 2j66A1 LEU 75 HD13 -0.07 0.00 -0.05 -0.04 0.93 0.77 2j66A1 LEU 75 HD23 -0.04 0.00 -0.13 -0.04 0.89 0.68 2j66A1 ALA 76 H -0.06 0.37 -0.29 -0.55 8.40 7.88 2j66A1 ALA 76 HA -0.06 0.08 0.40 -0.75 4.34 4.00 2j66A1 ALA 76 HB3 0.01 0.04 0.11 -0.04 1.41 1.54 2j66A1 LEU 77 H 0.01 0.36 -0.14 -0.55 8.37 8.05 2j66A1 LEU 77 HA 0.16 0.04 0.41 -0.75 4.35 4.20 2j66A1 LEU 77 HB2 -0.02 0.05 0.14 -0.04 1.64 1.76 2j66A1 LEU 77 HB3 -0.01 -0.01 0.01 -0.04 1.64 1.59 2j66A1 LEU 77 HG 0.00 0.16 0.05 -0.04 1.64 1.82 2j66A1 LEU 77 HD13 -0.03 -0.01 -0.01 -0.04 0.93 0.84 2j66A1 LEU 77 HD23 -0.02 0.00 0.03 -0.04 0.89 0.86 2j66A1 ALA 78 H -0.03 0.57 -0.25 -0.55 8.40 8.14 2j66A1 ALA 78 HA 0.10 -0.01 0.34 -0.75 4.34 4.01 2j66A1 ALA 78 HB3 -0.11 0.03 0.02 -0.04 1.41 1.31 2j66A1 ARG 79 H -0.01 0.45 -0.21 -0.55 8.46 8.13 2j66A1 ARG 79 HA 0.02 0.16 0.46 -0.75 4.34 4.22 2j66A1 ARG 79 HB2 -0.10 0.06 0.14 -0.04 1.90 1.96 2j66A1 ARG 79 HB3 -0.08 -0.03 0.01 -0.04 1.80 1.66 2j66A1 ARG 79 HG2 -0.03 0.07 0.01 -0.04 1.67 1.68 2j66A1 ARG 79 HG3 -0.04 -0.05 -0.02 -0.04 1.67 1.52 2j66A1 ARG 79 HD2 0.02 0.18 -0.05 -0.04 3.22 3.33 2j66A1 ARG 79 HD3 0.00 -0.04 -0.08 -0.04 3.22 3.06 2j66A1 HIS 80 H 0.03 0.44 -0.20 -0.55 8.41 8.14 2j66A1 HIS 80 HA -0.04 0.02 0.41 -0.75 4.63 4.27 2j66A1 HIS 80 HB2 -0.04 0.08 0.23 -0.04 3.26 3.49 2j66A1 HIS 80 HB3 -0.08 -0.07 -0.02 -0.04 3.20 2.98 2j66A1 HIS 80 HD2 -0.04 0.01 0.03 -0.04 6.97 6.93 2j66A1 HIS 80 HE1 -0.02 -0.05 -0.05 -0.04 7.75 7.59 2j66A1 ALA 81 H 0.09 0.39 -0.34 -0.55 8.40 8.00 2j66A1 ALA 81 HA -0.07 0.05 0.50 -0.75 4.34 4.07 2j66A1 ALA 81 HB3 0.09 -0.04 0.02 -0.04 1.41 1.45 2j66A1 GLY 82 H -0.01 0.36 -0.68 -0.55 8.43 7.55 2j66A1 GLY 82 HA2 -0.07 0.04 0.23 -0.51 4.01 3.70 2j66A1 GLY 82 HA3 -0.15 0.06 0.49 -0.51 4.01 3.89 2j66A1 PHE 83 H 0.13 0.35 -0.14 -0.55 8.34 8.13 2j66A1 PHE 83 HA -0.08 0.07 0.46 -0.75 4.62 4.31 2j66A1 PHE 83 HB2 -0.07 -0.05 -0.07 -0.04 3.15 2.92 2j66A1 PHE 83 HB3 -0.08 0.07 -0.15 -0.04 3.06 2.85 2j66A1 PHE 83 HD2 -0.11 0.11 -0.01 -0.04 7.28 7.23 2j66A1 PHE 83 HE2 -0.11 0.04 -0.30 -0.04 7.38 6.97 2j66A1 PHE 83 HZ -0.06 -0.07 -0.11 -0.04 7.32 7.04 2j66A1 SER 84 H 0.04 0.14 0.16 -0.55 8.46 8.24 2j66A1 SER 84 HA 0.02 0.13 0.45 -0.75 4.49 4.33 2j66A1 SER 84 HB2 0.01 -0.04 0.11 -0.04 3.95 3.99 2j66A1 SER 84 HB3 -0.01 0.12 0.12 -0.04 3.93 4.12 2j66A1 ALA 85 H 0.03 0.19 0.14 -0.55 8.40 8.22 2j66A1 ALA 85 HA 0.05 0.04 0.35 -0.75 4.34 4.02 2j66A1 ALA 85 HB3 0.04 0.06 0.02 -0.04 1.41 1.49 2j66A1 GLU 86 H 0.04 0.08 -0.20 -0.55 8.60 7.97 2j66A1 GLU 86 HA 0.12 0.12 0.44 -0.75 4.29 4.21 2j66A1 GLU 86 HB2 -0.00 0.05 0.12 -0.04 2.09 2.21 2j66A1 GLU 86 HB3 0.04 0.02 0.08 -0.04 1.99 2.09 2j66A1 GLU 86 HG2 0.00 -0.12 -0.06 -0.04 2.34 2.12 2j66A1 GLU 86 HG3 -0.04 0.07 -0.29 -0.04 2.34 2.04 2j66A1 ASN 87 H 0.04 0.45 -0.68 -0.55 8.53 7.80 2j66A1 ASN 87 HA -0.03 0.20 0.84 -0.75 4.76 5.02 2j66A1 ASN 87 HB2 0.06 0.02 0.06 -0.04 2.88 2.98 2j66A1 ASN 87 HB3 -0.07 -0.06 0.24 -0.04 2.79 2.86 2j66A1 ASN 87 HD21 -0.02 0.04 -0.06 -0.04 7.03 6.94 2j66A1 ASN 87 HD22 0.00 -0.09 0.00 -0.04 7.74 7.61 2j66A1 ILE 88 H 0.12 0.39 -0.11 -0.55 8.25 8.10 2j66A1 ILE 88 HA 0.03 0.26 1.12 -0.75 4.18 4.82 2j66A1 ILE 88 HB 0.05 0.04 0.14 -0.04 1.89 2.08 2j66A1 ILE 88 HG12 -0.11 -0.05 -0.15 -0.04 1.49 1.14 2j66A1 ILE 88 HG13 0.03 0.16 -0.46 -0.04 1.21 0.90 2j66A1 ILE 88 HG23 -0.03 -0.04 -0.19 -0.04 0.93 0.63 2j66A1 ILE 88 HD13 0.02 0.01 -0.24 -0.04 0.88 0.62 2j66A1 ILE 89 H 0.14 0.54 0.36 -0.55 8.25 8.74 2j66A1 ILE 89 HA 0.11 0.34 0.92 -0.75 4.18 4.80 2j66A1 ILE 89 HB -0.04 -0.03 -0.10 -0.04 1.89 1.68 2j66A1 ILE 89 HG12 0.08 0.12 -0.06 -0.04 1.49 1.59 2j66A1 ILE 89 HG13 -0.03 -0.15 -0.14 -0.04 1.21 0.86 2j66A1 ILE 89 HG23 0.09 0.02 -0.32 -0.04 0.93 0.68 2j66A1 ILE 89 HD13 -0.46 -0.01 -0.22 -0.04 0.88 0.16 2j66A1 PHE 90 H 0.17 0.51 0.25 -0.55 8.34 8.72 2j66A1 PHE 90 HA -0.00 0.22 0.93 -0.75 4.62 5.01 2j66A1 PHE 90 HB2 0.01 0.05 -0.08 -0.04 3.15 3.09 2j66A1 PHE 90 HB3 0.01 -0.07 0.19 -0.04 3.06 3.15 2j66A1 PHE 90 HD2 0.01 0.18 -0.14 -0.04 7.28 7.29 2j66A1 PHE 90 HE2 0.02 0.12 -0.41 -0.04 7.38 7.07 2j66A1 PHE 90 HZ 0.02 -0.17 -0.21 -0.04 7.32 6.91 2j66A1 SER 91 H 0.31 0.68 0.32 -0.55 8.46 9.22 2j66A1 SER 91 HA 0.10 0.23 0.83 -0.75 4.49 4.90 2j66A1 SER 91 HB2 0.11 -0.00 -0.12 -0.04 3.95 3.89 2j66A1 SER 91 HB3 0.09 -0.01 -0.06 -0.04 3.93 3.90 2j66A1 GLY 92 H 0.09 0.14 0.05 -0.55 8.43 8.17 2j66A1 GLY 92 HA2 0.15 0.04 0.34 -0.51 4.01 4.03 2j66A1 GLY 92 HA3 0.13 0.20 0.79 -0.51 4.01 4.62 2j66A1 PRO 93 HA 0.07 0.11 0.66 -0.51 4.44 4.77 2j66A1 PRO 93 HB2 -0.06 0.14 0.08 -0.04 2.28 2.40 2j66A1 PRO 93 HB3 0.10 -0.02 0.08 -0.04 2.02 2.14 2j66A1 PRO 93 HG2 0.07 0.06 -0.02 -0.04 2.03 2.10 2j66A1 PRO 93 HG3 0.13 0.04 0.00 -0.04 2.03 2.16 2j66A1 PRO 93 HD2 0.20 0.13 0.19 -0.04 3.68 4.15 2j66A1 PRO 93 HD3 0.39 0.09 0.13 -0.04 3.65 4.21 2j66A1 GLY 94 H 0.07 0.08 -0.28 -0.55 8.43 7.76 2j66A1 GLY 94 HA2 0.03 0.25 0.82 -0.51 4.01 4.59 2j66A1 GLY 94 HA3 0.04 0.02 0.29 -0.51 4.01 3.85 2j66A1 LYS 95 H -0.00 0.19 -0.18 -0.55 8.42 7.87 2j66A1 LYS 95 HA 0.04 0.03 0.53 -0.75 4.32 4.17 2j66A1 LYS 95 HB2 -0.10 -0.01 -0.02 -0.04 1.87 1.71 2j66A1 LYS 95 HB3 -0.16 -0.02 -0.09 -0.04 1.79 1.48 2j66A1 LYS 95 HG2 -0.21 0.02 -0.18 -0.04 1.46 1.05 2j66A1 LYS 95 HG3 -0.14 0.07 -0.16 -0.04 1.46 1.19 2j66A1 LYS 95 HD2 -0.43 -0.04 -0.16 -0.04 1.69 1.02 2j66A1 LYS 95 HD3 -1.53 -0.04 -0.23 -0.04 1.68 -0.16 2j66A1 LYS 95 HE2 -0.66 0.06 -0.30 -0.04 2.99 2.05 2j66A1 LYS 95 HE3 -0.45 0.06 -0.66 -0.04 2.99 1.90 2j66A1 LYS 96 H 0.05 0.07 0.21 -0.55 8.42 8.19 2j66A1 LYS 96 HA -0.01 0.21 0.53 -0.75 4.32 4.29 2j66A1 LYS 96 HB2 0.03 -0.10 0.16 -0.04 1.87 1.91 2j66A1 LYS 96 HB3 -0.01 -0.10 0.12 -0.04 1.79 1.76 2j66A1 LYS 96 HG2 0.01 0.07 0.06 -0.04 1.46 1.56 2j66A1 LYS 96 HG3 0.03 0.10 0.08 -0.04 1.46 1.63 2j66A1 LYS 96 HD2 0.03 -0.03 0.05 -0.04 1.69 1.70 2j66A1 LYS 96 HD3 0.01 -0.02 0.05 -0.04 1.68 1.67 2j66A1 LYS 96 HE2 0.01 0.03 0.03 -0.04 2.99 3.01 2j66A1 LYS 96 HE3 0.02 0.04 0.03 -0.04 2.99 3.04 2j66A1 ARG 97 H -0.12 0.24 0.16 -0.55 8.46 8.19 2j66A1 ARG 97 HA -0.12 0.12 0.36 -0.75 4.34 3.94 2j66A1 ARG 97 HB2 -0.17 -0.00 0.11 -0.04 1.90 1.80 2j66A1 ARG 97 HB3 -0.17 0.08 0.01 -0.04 1.80 1.68 2j66A1 ARG 97 HG2 -0.77 0.02 0.02 -0.04 1.67 0.90 2j66A1 ARG 97 HG3 -0.54 -0.01 0.07 -0.04 1.67 1.15 2j66A1 ARG 97 HD2 -0.89 0.02 0.01 -0.04 3.22 2.32 2j66A1 ARG 97 HD3 -0.30 0.01 0.01 -0.04 3.22 2.90 2j66A1 SER 98 H -0.03 0.08 -0.20 -0.55 8.46 7.76 2j66A1 SER 98 HA -0.01 0.16 0.38 -0.75 4.49 4.28 2j66A1 SER 98 HB2 0.01 0.09 0.02 -0.04 3.95 4.02 2j66A1 SER 98 HB3 -0.01 0.06 0.07 -0.04 3.93 4.01 2j66A1 GLU 99 H 0.04 0.11 -0.36 -0.55 8.60 7.84 2j66A1 GLU 99 HA 0.13 0.07 0.48 -0.75 4.29 4.21 2j66A1 GLU 99 HB2 0.12 0.16 0.10 -0.04 2.09 2.42 2j66A1 GLU 99 HB3 0.41 0.00 -0.04 -0.04 1.99 2.33 2j66A1 GLU 99 HG2 0.13 -0.06 0.08 -0.04 2.34 2.45 2j66A1 GLU 99 HG3 0.09 -0.00 0.07 -0.04 2.34 2.45 2j66A1 LEU 100 H 0.02 0.46 -0.17 -0.55 8.37 8.14 2j66A1 LEU 100 HA 0.01 0.03 0.34 -0.75 4.35 3.97 2j66A1 LEU 100 HB2 -0.01 0.11 0.06 -0.04 1.64 1.76 2j66A1 LEU 100 HB3 0.01 0.02 -0.08 -0.04 1.64 1.55 2j66A1 LEU 100 HG -0.04 0.08 -0.19 -0.04 1.64 1.44 2j66A1 LEU 100 HD13 0.08 -0.01 -0.12 -0.04 0.93 0.83 2j66A1 LEU 100 HD23 -0.14 -0.01 -0.11 -0.04 0.89 0.59 2j66A1 GLU 101 H 0.02 0.50 -0.30 -0.55 8.60 8.28 2j66A1 GLU 101 HA 0.02 0.06 0.35 -0.75 4.29 3.96 2j66A1 GLU 101 HB2 -0.00 0.01 0.07 -0.04 2.09 2.13 2j66A1 GLU 101 HB3 0.01 0.07 0.15 -0.04 1.99 2.19 2j66A1 GLU 101 HG2 0.01 0.02 -0.28 -0.04 2.34 2.05 2j66A1 GLU 101 HG3 0.01 0.02 -0.02 -0.04 2.34 2.31 2j66A1 ILE 102 H 0.06 0.40 -0.15 -0.55 8.25 8.00 2j66A1 ILE 102 HA 0.03 0.08 0.38 -0.75 4.18 3.92 2j66A1 ILE 102 HB 0.07 -0.01 0.13 -0.04 1.89 2.03 2j66A1 ILE 102 HG12 0.02 0.02 0.02 -0.04 1.49 1.51 2j66A1 ILE 102 HG13 0.03 0.16 0.12 -0.04 1.21 1.48 2j66A1 ILE 102 HG23 0.02 -0.00 -0.10 -0.04 0.93 0.80 2j66A1 ILE 102 HD13 0.02 -0.04 -0.02 -0.04 0.88 0.80 2j66A1 ALA 103 H 0.14 0.45 -0.32 -0.55 8.40 8.12 2j66A1 ALA 103 HA 0.12 0.01 0.33 -0.75 4.34 4.05 2j66A1 ALA 103 HB3 0.30 0.00 0.01 -0.04 1.41 1.68 2j66A1 VAL 104 H 0.06 0.59 -0.14 -0.55 8.24 8.20 2j66A1 VAL 104 HA 0.04 0.02 0.41 -0.75 4.13 3.84 2j66A1 VAL 104 HB 0.03 0.08 0.09 -0.04 2.12 2.28 2j66A1 VAL 104 HG13 0.03 0.00 -0.29 -0.04 0.97 0.68 2j66A1 VAL 104 HG23 0.03 0.01 -0.01 -0.04 0.95 0.94 2j66A1 GLN 105 H 0.04 0.50 -0.19 -0.55 8.47 8.28 2j66A1 GLN 105 HA 0.03 0.08 0.36 -0.75 4.36 4.07 2j66A1 GLN 105 HB2 0.02 0.03 0.09 -0.04 2.15 2.25 2j66A1 GLN 105 HB3 0.02 -0.04 0.05 -0.04 2.02 2.00 2j66A1 GLN 105 HG2 0.02 -0.01 0.00 -0.04 2.40 2.37 2j66A1 GLN 105 HG3 0.02 0.31 0.09 -0.04 2.39 2.77 2j66A1 GLN 105 HE21 0.01 -0.07 -0.06 -0.04 6.97 6.81 2j66A1 GLN 105 HE22 0.01 0.04 -0.04 -0.04 7.69 7.66 2j66A1 SER 106 H 0.04 0.28 -0.49 -0.55 8.46 7.75 2j66A1 SER 106 HA 0.02 0.08 0.55 -0.75 4.49 4.38 2j66A1 SER 106 HB2 0.04 0.02 0.06 -0.04 3.95 4.02 2j66A1 SER 106 HB3 0.02 -0.08 0.04 -0.04 3.93 3.87 2j66A1 GLY 107 H 0.04 0.37 -0.37 -0.55 8.43 7.92 2j66A1 GLY 107 HA2 0.04 0.06 0.31 -0.51 4.01 3.90 2j66A1 GLY 107 HA3 0.03 -0.01 0.30 -0.51 4.01 3.83 2j66A1 ILE 108 H 0.06 0.08 -0.18 -0.55 8.25 7.66 2j66A1 ILE 108 HA 0.08 0.12 0.44 -0.75 4.18 4.06 2j66A1 ILE 108 HB 0.10 0.18 0.16 -0.04 1.89 2.28 2j66A1 ILE 108 HG12 0.09 -0.08 -0.37 -0.04 1.49 1.09 2j66A1 ILE 108 HG13 0.13 -0.12 -0.19 -0.04 1.21 1.00 2j66A1 ILE 108 HG23 0.05 -0.03 -0.08 -0.04 0.93 0.83 2j66A1 ILE 108 HD13 0.09 -0.05 -0.07 -0.04 0.88 0.80 2j66A1 TYR 109 H 0.21 0.42 0.31 -0.55 8.29 8.68 2j66A1 TYR 109 HA 0.01 0.03 0.36 -0.75 4.56 4.20 2j66A1 TYR 109 HB2 0.06 0.02 0.03 -0.04 3.06 3.13 2j66A1 TYR 109 HB3 0.04 0.01 -0.02 -0.04 2.98 2.98 2j66A1 TYR 109 HD2 -0.02 -0.06 -0.08 -0.04 7.15 6.95 2j66A1 TYR 109 HE2 -0.07 -0.04 -0.09 -0.04 6.85 6.61 2j66A1 CYS 110 H 0.08 0.23 -0.12 -0.55 8.50 8.14 2j66A1 CYS 110 HA -0.08 0.27 0.21 -0.75 4.58 4.22 2j66A1 CYS 110 HB2 -0.20 -0.08 -0.27 -0.04 2.97 2.38 2j66A1 CYS 110 HB3 -0.43 0.36 -0.16 -0.04 2.97 2.70 2j66A1 ILE 111 H -0.04 0.65 0.32 -0.55 8.25 8.62 2j66A1 ILE 111 HA 0.05 0.04 0.84 -0.75 4.18 4.35 2j66A1 ILE 111 HB -0.04 0.03 0.13 -0.04 1.89 1.97 2j66A1 ILE 111 HG12 0.07 -0.04 -0.07 -0.04 1.49 1.41 2j66A1 ILE 111 HG13 0.04 0.08 -0.14 -0.04 1.21 1.15 2j66A1 ILE 111 HG23 -0.20 -0.03 -0.23 -0.04 0.93 0.44 2j66A1 ILE 111 HD13 0.00 -0.01 -0.08 -0.04 0.88 0.74 2j66A1 ILE 112 H -0.00 0.80 0.18 -0.55 8.25 8.67 2j66A1 ILE 112 HA -0.02 0.09 0.67 -0.75 4.18 4.16 2j66A1 ILE 112 HB 0.07 -0.05 0.08 -0.04 1.89 1.96 2j66A1 ILE 112 HG12 -0.06 0.03 -0.33 -0.04 1.49 1.10 2j66A1 ILE 112 HG13 -0.01 0.00 -0.29 -0.04 1.21 0.86 2j66A1 ILE 112 HG23 0.15 -0.02 -0.36 -0.04 0.93 0.66 2j66A1 ILE 112 HD13 -0.09 -0.02 -0.28 -0.04 0.88 0.45 2j66A1 ALA 113 H -0.01 0.60 0.26 -0.55 8.40 8.70 2j66A1 ALA 113 HA -0.02 0.02 0.44 -0.75 4.34 4.02 2j66A1 ALA 113 HB3 0.01 0.01 0.08 -0.04 1.41 1.47 2j66A1 GLU 114 H 0.01 0.10 0.22 -0.55 8.60 8.38 2j66A1 GLU 114 HA 0.05 0.18 0.96 -0.75 4.29 4.73 2j66A1 GLU 114 HB2 0.04 0.08 0.17 -0.04 2.09 2.34 2j66A1 GLU 114 HB3 0.06 -0.02 0.30 -0.04 1.99 2.29 2j66A1 GLU 114 HG2 0.07 0.05 -0.12 -0.04 2.34 2.30 2j66A1 GLU 114 HG3 0.05 0.22 -0.17 -0.04 2.34 2.40 2j66A1 SER 115 H 0.02 0.17 0.11 -0.55 8.46 8.21 2j66A1 SER 115 HA 0.01 0.21 0.47 -0.75 4.49 4.42 2j66A1 SER 115 HB2 -0.02 -0.00 0.18 -0.04 3.95 4.07 2j66A1 SER 115 HB3 -0.00 0.29 -0.13 -0.04 3.93 4.05 2j66A1 VAL 116 H -0.00 0.25 0.14 -0.55 8.24 8.08 2j66A1 VAL 116 HA 0.06 0.15 0.50 -0.75 4.13 4.09 2j66A1 VAL 116 HB -0.01 -0.01 0.12 -0.04 2.12 2.18 2j66A1 VAL 116 HG13 0.14 0.03 -0.09 -0.04 0.97 1.00 2j66A1 VAL 116 HG23 0.03 0.03 -0.01 -0.04 0.95 0.95 2j66A1 GLU 117 H -0.07 0.11 -0.07 -0.55 8.60 8.03 2j66A1 GLU 117 HA -0.24 0.13 0.38 -0.75 4.29 3.81 2j66A1 GLU 117 HB2 -0.16 -0.02 0.05 -0.04 2.09 1.92 2j66A1 GLU 117 HB3 -0.44 0.06 -0.01 -0.04 1.99 1.55 2j66A1 GLU 117 HG2 -0.14 0.07 0.02 -0.04 2.34 2.26 2j66A1 GLU 117 HG3 -0.23 0.06 0.03 -0.04 2.34 2.15 2j66A1 GLU 118 H -0.06 0.05 -0.40 -0.55 8.60 7.63 2j66A1 GLU 118 HA 0.07 0.07 0.36 -0.75 4.29 4.04 2j66A1 GLU 118 HB2 0.02 0.01 0.07 -0.04 2.09 2.15 2j66A1 GLU 118 HB3 0.01 0.07 0.12 -0.04 1.99 2.16 2j66A1 GLU 118 HG2 0.02 0.04 -0.17 -0.04 2.34 2.19 2j66A1 GLU 118 HG3 0.07 0.03 -0.01 -0.04 2.34 2.39 2j66A1 LEU 119 H 0.02 0.31 -0.24 -0.55 8.37 7.92 2j66A1 LEU 119 HA 0.00 0.03 0.37 -0.75 4.35 4.00 2j66A1 LEU 119 HB2 0.07 0.17 0.16 -0.04 1.64 2.01 2j66A1 LEU 119 HB3 -0.06 0.05 -0.06 -0.04 1.64 1.54 2j66A1 LEU 119 HG 0.03 0.00 0.05 -0.04 1.64 1.68 2j66A1 LEU 119 HD13 0.03 -0.01 -0.04 -0.04 0.93 0.86 2j66A1 LEU 119 HD23 0.02 0.01 -0.04 -0.04 0.89 0.84 2j66A1 PHE 120 H 0.23 0.41 -0.21 -0.55 8.34 8.21 2j66A1 PHE 120 HA -0.03 0.07 0.43 -0.75 4.62 4.33 2j66A1 PHE 120 HB2 -0.21 0.06 0.16 -0.04 3.15 3.12 2j66A1 PHE 120 HB3 -0.08 -0.02 -0.01 -0.04 3.06 2.90 2j66A1 PHE 120 HD2 -0.06 0.12 0.00 -0.04 7.28 7.30 2j66A1 PHE 120 HE2 -0.04 -0.01 -0.03 -0.04 7.38 7.26 2j66A1 PHE 120 HZ -0.03 0.03 -0.03 -0.04 7.32 7.25 2j66A1 TYR 121 H 0.01 0.44 -0.20 -0.55 8.29 7.99 2j66A1 TYR 121 HA 0.04 0.02 0.42 -0.75 4.56 4.29 2j66A1 TYR 121 HB2 0.02 0.15 0.16 -0.04 3.06 3.34 2j66A1 TYR 121 HB3 0.01 -0.07 -0.03 -0.04 2.98 2.84 2j66A1 TYR 121 HD2 0.02 -0.01 -0.04 -0.04 7.15 7.08 2j66A1 TYR 121 HE2 0.00 0.00 -0.06 -0.04 6.85 6.76 2j66A1 ILE 122 H 0.11 0.57 -0.13 -0.55 8.25 8.25 2j66A1 ILE 122 HA 0.05 -0.01 0.37 -0.75 4.18 3.84 2j66A1 ILE 122 HB 0.01 0.14 0.12 -0.04 1.89 2.13 2j66A1 ILE 122 HG12 0.01 -0.05 -0.03 -0.04 1.49 1.39 2j66A1 ILE 122 HG13 0.06 0.13 0.03 -0.04 1.21 1.38 2j66A1 ILE 122 HG23 0.01 0.01 -0.16 -0.04 0.93 0.75 2j66A1 ILE 122 HD13 -0.02 -0.02 -0.12 -0.04 0.88 0.68 2j66A1 GLU 123 H -0.01 0.50 -0.22 -0.55 8.60 8.33 2j66A1 GLU 123 HA -0.01 0.05 0.32 -0.75 4.29 3.89 2j66A1 GLU 123 HB2 -0.13 0.04 0.07 -0.04 2.09 2.03 2j66A1 GLU 123 HB3 -0.12 0.14 0.17 -0.04 1.99 2.13 2j66A1 GLU 123 HG2 -0.15 0.02 -0.00 -0.04 2.34 2.17 2j66A1 GLU 123 HG3 -0.10 0.02 -0.27 -0.04 2.34 1.95 2j66A1 GLU 124 H 0.03 0.49 -0.16 -0.55 8.60 8.42 2j66A1 GLU 124 HA -0.07 0.02 0.41 -0.75 4.29 3.90 2j66A1 GLU 124 HB2 0.06 0.10 0.14 -0.04 2.09 2.35 2j66A1 GLU 124 HB3 0.02 -0.05 0.05 -0.04 1.99 1.96 2j66A1 GLU 124 HG2 0.06 -0.05 0.05 -0.04 2.34 2.36 2j66A1 GLU 124 HG3 0.12 0.49 0.17 -0.04 2.34 3.08 2j66A1 LEU 125 H 0.02 0.50 -0.22 -0.55 8.37 8.12 2j66A1 LEU 125 HA -0.01 -0.00 0.45 -0.75 4.35 4.03 2j66A1 LEU 125 HB2 0.02 0.12 0.11 -0.04 1.64 1.85 2j66A1 LEU 125 HB3 0.01 -0.02 -0.04 -0.04 1.64 1.56 2j66A1 LEU 125 HG 0.01 0.07 0.01 -0.04 1.64 1.69 2j66A1 LEU 125 HD13 0.01 -0.02 -0.26 -0.04 0.93 0.61 2j66A1 LEU 125 HD23 -0.01 -0.02 -0.02 -0.04 0.89 0.80 2j66A1 ALA 126 H -0.01 0.63 -0.09 -0.55 8.40 8.38 2j66A1 ALA 126 HA 0.05 -0.01 0.33 -0.75 4.34 3.95 2j66A1 ALA 126 HB3 0.09 0.08 0.11 -0.04 1.41 1.66 2j66A1 GLU 127 H -0.20 0.50 -0.21 -0.55 8.60 8.14 2j66A1 GLU 127 HA -0.69 0.04 0.46 -0.75 4.29 3.35 2j66A1 GLU 127 HB2 -0.28 0.12 0.20 -0.04 2.09 2.08 2j66A1 GLU 127 HB3 -0.43 -0.06 0.03 -0.04 1.99 1.50 2j66A1 GLU 127 HG2 -1.98 -0.03 0.04 -0.04 2.34 0.33 2j66A1 GLU 127 HG3 -0.69 0.16 0.09 -0.04 2.34 1.86 2j66A1 LYS 128 H -0.09 0.48 -0.08 -0.55 8.42 8.17 2j66A1 LYS 128 HA -0.04 -0.01 0.41 -0.75 4.32 3.92 2j66A1 LYS 128 HB2 -0.04 -0.04 0.13 -0.04 1.87 1.88 2j66A1 LYS 128 HB3 -0.03 0.07 0.18 -0.04 1.79 1.97 2j66A1 LYS 128 HG2 -0.01 0.05 -0.25 -0.04 1.46 1.21 2j66A1 LYS 128 HG3 -0.02 -0.04 0.04 -0.04 1.46 1.41 2j66A1 LYS 128 HD2 -0.01 -0.04 -0.03 -0.04 1.69 1.57 2j66A1 LYS 128 HD3 -0.02 -0.04 -0.01 -0.04 1.68 1.58 2j66A1 LYS 128 HE2 -0.01 -0.09 -0.03 -0.04 2.99 2.81 2j66A1 LYS 128 HE3 -0.01 0.04 0.00 -0.04 2.99 2.98 2j66A1 GLU 129 H -0.01 0.59 -0.20 -0.55 8.60 8.44 2j66A1 GLU 129 HA 0.02 0.06 0.58 -0.75 4.29 4.20 2j66A1 GLU 129 HB2 0.03 0.05 -0.04 -0.04 2.09 2.09 2j66A1 GLU 129 HB3 0.03 -0.01 0.03 -0.04 1.99 1.99 2j66A1 GLU 129 HG2 0.01 0.02 -0.01 -0.04 2.34 2.31 2j66A1 GLU 129 HG3 0.02 -0.07 -0.09 -0.04 2.34 2.16 2j66A1 ASN 130 H 0.04 0.30 -0.55 -0.55 8.53 7.78 2j66A1 ASN 130 HA 0.19 0.01 0.36 -0.75 4.76 4.56 2j66A1 ASN 130 HB2 0.05 0.07 -0.19 -0.04 2.88 2.78 2j66A1 ASN 130 HB3 0.07 -0.08 0.22 -0.04 2.79 2.96 2j66A1 ASN 130 HD21 0.03 -0.08 0.00 -0.04 7.03 6.94 2j66A1 ASN 130 HD22 0.03 0.02 -0.14 -0.04 7.74 7.61 2j66A1 LYS 131 H 0.16 0.58 0.08 -0.55 8.42 8.69 2j66A1 LYS 131 HA 0.06 0.13 0.77 -0.75 4.32 4.53 2j66A1 LYS 131 HB2 0.06 -0.10 -0.17 -0.04 1.87 1.63 2j66A1 LYS 131 HB3 0.05 -0.00 -0.01 -0.04 1.79 1.78 2j66A1 LYS 131 HG2 0.04 0.03 -0.09 -0.04 1.46 1.40 2j66A1 LYS 131 HG3 0.05 0.27 -0.61 -0.04 1.46 1.13 2j66A1 LYS 131 HD2 0.04 -0.08 -0.19 -0.04 1.69 1.42 2j66A1 LYS 131 HD3 0.03 0.00 -0.04 -0.04 1.68 1.64 2j66A1 LYS 131 HE2 0.03 0.01 -0.01 -0.04 2.99 2.97 2j66A1 LYS 131 HE3 0.02 0.04 0.04 -0.04 2.99 3.05 2j66A1 THR 132 H 0.04 0.19 0.11 -0.55 8.28 8.07 2j66A1 THR 132 HA 0.06 0.30 0.85 -0.75 4.39 4.85 2j66A1 THR 132 HB 0.00 -0.03 0.14 -0.04 4.32 4.38 2j66A1 THR 132 HG23 -0.01 -0.00 -0.26 -0.04 1.22 0.91 2j66A1 ALA 133 H 0.07 0.60 0.28 -0.55 8.40 8.81 2j66A1 ALA 133 HA 0.02 0.12 0.68 -0.75 4.34 4.42 2j66A1 ALA 133 HB3 0.03 -0.03 0.01 -0.04 1.41 1.38 2j66A1 ARG 134 H -0.01 0.21 0.16 -0.55 8.46 8.27 2j66A1 ARG 134 HA -0.06 0.22 0.88 -0.75 4.34 4.63 2j66A1 ARG 134 HB2 -0.09 0.05 0.09 -0.04 1.90 1.91 2j66A1 ARG 134 HB3 -0.18 0.02 0.11 -0.04 1.80 1.71 2j66A1 ARG 134 HG2 -0.06 -0.04 -0.05 -0.04 1.67 1.49 2j66A1 ARG 134 HG3 -0.02 -0.01 -0.09 -0.04 1.67 1.50 2j66A1 ARG 134 HD2 0.01 -0.07 -0.02 -0.04 3.22 3.10 2j66A1 ARG 134 HD3 -0.00 0.17 -0.03 -0.04 3.22 3.31 2j66A1 VAL 135 H -0.09 0.74 0.39 -0.55 8.24 8.73 2j66A1 VAL 135 HA -0.08 0.19 1.20 -0.75 4.13 4.68 2j66A1 VAL 135 HB -0.02 -0.01 0.10 -0.04 2.12 2.16 2j66A1 VAL 135 HG13 -0.02 -0.01 -0.27 -0.04 0.97 0.63 2j66A1 VAL 135 HG23 0.03 0.00 -0.14 -0.04 0.95 0.80 2j66A1 ALA 136 H -0.09 0.53 0.37 -0.55 8.40 8.67 2j66A1 ALA 136 HA -0.33 0.13 0.89 -0.75 4.34 4.27 2j66A1 ALA 136 HB3 -0.17 -0.01 -0.26 -0.04 1.41 0.94 2j66A1 ILE 137 H 0.01 0.58 0.38 -0.55 8.25 8.67 2j66A1 ILE 137 HA 0.06 0.25 1.11 -0.75 4.18 4.85 2j66A1 ILE 137 HB 0.10 0.02 -0.08 -0.04 1.89 1.89 2j66A1 ILE 137 HG12 0.36 0.17 0.13 -0.04 1.49 2.12 2j66A1 ILE 137 HG13 0.16 -0.10 0.06 -0.04 1.21 1.29 2j66A1 ILE 137 HG23 0.16 -0.01 -0.20 -0.04 0.93 0.83 2j66A1 ILE 137 HD13 0.15 -0.00 -0.10 -0.04 0.88 0.89 2j66A1 ARG 138 H 0.06 0.61 0.20 -0.55 8.46 8.78 2j66A1 ARG 138 HA 0.07 0.19 0.83 -0.75 4.34 4.67 2j66A1 ARG 138 HB2 0.06 -0.03 -0.05 -0.04 1.90 1.84 2j66A1 ARG 138 HB3 0.06 -0.04 0.16 -0.04 1.80 1.94 2j66A1 ARG 138 HG2 0.04 -0.03 -0.39 -0.04 1.67 1.25 2j66A1 ARG 138 HG3 -0.10 0.14 -0.11 -0.04 1.67 1.56 2j66A1 ARG 138 HD2 -0.08 -0.03 -0.13 -0.04 3.22 2.94 2j66A1 ARG 138 HD3 0.08 -0.10 -0.11 -0.04 3.22 3.05 2j66A1 ILE 139 H 0.07 0.65 0.37 -0.55 8.25 8.78 2j66A1 ILE 139 HA 0.08 0.25 0.93 -0.75 4.18 4.68 2j66A1 ILE 139 HB 0.12 -0.00 0.07 -0.04 1.89 2.04 2j66A1 ILE 139 HG12 0.10 0.04 -0.15 -0.04 1.49 1.43 2j66A1 ILE 139 HG13 0.11 -0.00 -0.28 -0.04 1.21 1.00 2j66A1 ILE 139 HG23 0.13 -0.01 -0.29 -0.04 0.93 0.71 2j66A1 ILE 139 HD13 0.13 -0.01 -0.06 -0.04 0.88 0.91 2j66A1 ASN 140 H 0.08 0.61 0.01 -0.55 8.53 8.68 2j66A1 ASN 140 HA 0.08 0.14 0.71 -0.75 4.76 4.93 2j66A1 ASN 140 HB2 0.08 0.23 -0.08 -0.04 2.88 3.07 2j66A1 ASN 140 HB3 0.06 -0.18 -0.07 -0.04 2.79 2.56 2j66A1 ASN 140 HD21 0.04 0.41 0.16 -0.04 7.03 7.61 2j66A1 ASN 140 HD22 0.05 -0.03 0.05 -0.04 7.74 7.77 2j66A1 PRO 141 HA 0.17 -0.05 0.37 -0.51 4.44 4.43 2j66A1 PRO 141 HB2 -0.02 0.09 0.06 -0.04 2.28 2.37 2j66A1 PRO 141 HB3 0.03 0.03 0.02 -0.04 2.02 2.06 2j66A1 PRO 141 HG2 0.25 0.01 0.03 -0.04 2.03 2.29 2j66A1 PRO 141 HG3 0.22 0.06 0.00 -0.04 2.03 2.27 2j66A1 PRO 141 HD2 0.10 0.08 0.18 -0.04 3.68 3.99 2j66A1 PRO 141 HD3 0.10 0.42 0.31 -0.04 3.65 4.43 2j66A1 ASP 142 H 0.12 0.11 0.10 -0.55 8.40 8.17 2j66A1 ASP 142 HA -0.02 0.42 0.64 -0.75 4.63 4.92 2j66A1 ASP 142 HB2 0.08 -0.04 0.17 -0.04 2.71 2.87 2j66A1 ASP 142 HB3 0.02 0.04 0.25 -0.04 2.70 2.97 2j66A1 LYS 143 H -0.24 0.44 -0.93 -0.55 8.42 7.14 2j66A1 LYS 143 HA -0.26 -0.03 0.57 -0.75 4.32 3.85 2j66A1 LYS 143 HB2 -0.30 0.05 -0.25 -0.04 1.87 1.33 2j66A1 LYS 143 HB3 -1.06 -0.03 -0.17 -0.04 1.79 0.49 2j66A1 LYS 143 HG2 -0.76 0.14 -0.22 -0.04 1.46 0.58 2j66A1 LYS 143 HG3 -0.26 -0.03 0.07 -0.04 1.46 1.20 2j66A1 LYS 143 HD2 0.12 -0.00 -0.07 -0.04 1.69 1.70 2j66A1 LYS 143 HD3 -0.31 -0.02 -0.13 -0.04 1.68 1.17 2j66A1 LYS 143 HE2 0.16 -0.01 -0.04 -0.04 2.99 3.06 2j66A1 LYS 143 HE3 -0.05 0.06 -0.05 -0.04 2.99 2.91 2j66A1 SER 144 H -0.35 0.14 0.13 -0.55 8.46 7.84 2j66A1 SER 144 HA -0.35 0.13 0.78 -0.75 4.49 4.30 2j66A1 SER 144 HB2 -0.16 0.04 0.03 -0.04 3.95 3.81 2j66A1 SER 144 HB3 -0.13 0.07 -0.03 -0.04 3.93 3.81 2j66A1 PHE 145 H -0.13 0.17 0.07 -0.55 8.34 7.90 2j66A1 PHE 145 HA -0.06 0.28 0.76 -0.75 4.62 4.84 2j66A1 PHE 145 HB2 -0.07 0.01 0.09 -0.04 3.15 3.14 2j66A1 PHE 145 HB3 -0.06 0.03 0.11 -0.04 3.06 3.10 2j66A1 PHE 145 HD2 -0.10 0.01 -0.09 -0.04 7.28 7.06 2j66A1 PHE 145 HE2 -0.22 0.02 -0.12 -0.04 7.38 7.02 2j66A1 PHE 145 HZ -1.04 -0.02 -0.10 -0.04 7.32 6.12 2j66A1 THR 148 HA 0.00 -0.02 0.19 -0.75 4.39 3.81 2j66A1 THR 148 HB 0.00 -0.00 -0.01 -0.04 4.32 4.27 2j66A1 THR 148 HG23 0.01 -0.01 0.01 -0.04 1.22 1.18 2j66A1 ALA 149 H -0.01 0.14 -0.25 -0.55 8.40 7.73 2j66A1 ALA 149 HA -0.01 -0.05 0.42 -0.75 4.34 3.95 2j66A1 ALA 149 HB3 -0.04 0.02 -0.09 -0.04 1.41 1.26 2j66A1 ILE 150 H -0.02 0.03 0.17 -0.55 8.25 7.88 2j66A1 ILE 150 HA -0.01 0.15 0.50 -0.75 4.18 4.07 2j66A1 ILE 150 HB -0.01 -0.12 0.20 -0.04 1.89 1.91 2j66A1 ILE 150 HG12 -0.01 0.00 0.14 -0.04 1.49 1.58 2j66A1 ILE 150 HG13 -0.01 -0.03 0.06 -0.04 1.21 1.20 2j66A1 ILE 150 HG23 -0.01 -0.00 -0.09 -0.04 0.93 0.78 2j66A1 ILE 150 HD13 -0.01 0.02 -0.03 -0.04 0.88 0.83 2j66A1 LYS 151 H -0.02 0.03 0.09 -0.55 8.42 7.96 2j66A1 LYS 151 HA -0.02 0.09 0.63 -0.75 4.32 4.26 2j66A1 LYS 151 HB2 -0.02 0.01 0.07 -0.04 1.87 1.88 2j66A1 LYS 151 HB3 -0.02 0.11 0.06 -0.04 1.79 1.90 2j66A1 LYS 151 HG2 -0.01 0.02 -0.00 -0.04 1.46 1.42 2j66A1 LYS 151 HG3 -0.01 -0.09 0.05 -0.04 1.46 1.37 2j66A1 LYS 151 HD2 -0.01 0.03 0.02 -0.04 1.69 1.68 2j66A1 LYS 151 HD3 -0.01 -0.02 0.01 -0.04 1.68 1.62 2j66A1 LYS 151 HE2 -0.01 -0.05 0.04 -0.04 2.99 2.93 2j66A1 LYS 151 HE3 -0.02 0.07 0.02 -0.04 2.99 3.02 2j66A1 MET 152 H -0.03 0.08 0.16 -0.55 8.47 8.13 2j66A1 MET 152 HA -0.07 0.06 0.52 -0.75 4.52 4.27 2j66A1 MET 152 HB2 -0.03 0.02 0.02 -0.04 2.15 2.12 2j66A1 MET 152 HB3 -0.05 -0.06 0.15 -0.04 2.03 2.03 2j66A1 MET 152 HG2 -0.04 0.06 0.01 -0.04 2.63 2.62 2j66A1 MET 152 HG3 -0.03 0.01 0.10 -0.04 2.56 2.60 2j66A1 MET 152 HE3 -0.01 -0.00 0.02 -0.04 2.10 2.06 2j66A1 GLY 153 H -0.10 0.04 0.11 -0.55 8.43 7.93 2j66A1 GLY 153 HA2 -0.06 0.23 0.17 -0.51 4.01 3.84 2j66A1 GLY 153 HA3 -0.04 0.15 0.51 -0.51 4.01 4.12 2j66A1 GLY 154 H -0.14 -0.02 -0.42 -0.55 8.43 7.31 2j66A1 GLY 154 HA2 -0.15 0.05 -0.08 -0.51 4.01 3.32 2j66A1 GLY 154 HA3 -0.09 0.30 0.54 -0.51 4.01 4.25 2j66A1 VAL 155 H -0.03 0.18 0.12 -0.55 8.24 7.95 2j66A1 VAL 155 HA -0.02 0.25 0.92 -0.75 4.13 4.53 2j66A1 VAL 155 HB 0.01 -0.04 0.03 -0.04 2.12 2.08 2j66A1 VAL 155 HG13 0.01 0.05 -0.06 -0.04 0.97 0.93 2j66A1 VAL 155 HG23 -0.02 -0.02 -0.12 -0.04 0.95 0.75 2j66A1 PRO 156 HA 0.01 0.04 0.51 -0.51 4.44 4.49 2j66A1 PRO 156 HB2 -0.00 -0.01 0.09 -0.04 2.28 2.32 2j66A1 PRO 156 HB3 -0.00 0.02 0.07 -0.04 2.02 2.06 2j66A1 PRO 156 HG2 -0.00 0.02 0.07 -0.04 2.03 2.08 2j66A1 PRO 156 HG3 -0.01 0.06 0.02 -0.04 2.03 2.07 2j66A1 PRO 156 HD2 -0.00 0.07 0.21 -0.04 3.68 3.92 2j66A1 PRO 156 HD3 -0.01 0.22 0.21 -0.04 3.65 4.03 2j66A1 ARG 157 H 0.02 0.26 0.25 -0.55 8.46 8.43 2j66A1 ARG 157 HA 0.01 0.14 0.79 -0.75 4.34 4.53 2j66A1 ARG 157 HB2 0.11 0.11 0.04 -0.04 1.90 2.12 2j66A1 ARG 157 HB3 0.23 -0.20 0.10 -0.04 1.80 1.89 2j66A1 ARG 157 HG2 0.12 -0.00 -0.05 -0.04 1.67 1.70 2j66A1 ARG 157 HG3 0.06 0.06 -0.89 -0.04 1.67 0.87 2j66A1 ARG 157 HD2 0.09 0.04 -0.02 -0.04 3.22 3.29 2j66A1 ARG 157 HD3 0.18 -0.05 -0.02 -0.04 3.22 3.29 2j66A1 GLN 158 H -0.24 0.15 0.15 -0.55 8.47 7.97 2j66A1 GLN 158 HA -0.15 0.15 0.56 -0.75 4.36 4.17 2j66A1 GLN 158 HB2 -0.27 0.02 0.14 -0.04 2.15 2.01 2j66A1 GLN 158 HB3 -0.23 0.01 0.10 -0.04 2.02 1.86 2j66A1 GLN 158 HG2 -1.68 0.00 -0.17 -0.04 2.40 0.50 2j66A1 GLN 158 HG3 -0.65 -0.01 -0.04 -0.04 2.39 1.64 2j66A1 GLN 158 HE21 -0.05 0.03 0.01 -0.04 6.97 6.92 2j66A1 GLN 158 HE22 -0.23 -0.01 -0.01 -0.04 7.69 7.40 2j66A1 PHE 159 H -0.08 -0.03 -0.33 -0.55 8.34 7.35 2j66A1 PHE 159 HA 0.02 0.09 0.77 -0.75 4.62 4.75 2j66A1 PHE 159 HB2 0.04 0.04 0.00 -0.04 3.15 3.19 2j66A1 PHE 159 HB3 0.03 -0.02 -0.06 -0.04 3.06 2.97 2j66A1 PHE 159 HD2 0.04 0.01 -0.01 -0.04 7.28 7.28 2j66A1 PHE 159 HE2 0.05 0.02 -0.01 -0.04 7.38 7.39 2j66A1 PHE 159 HZ 0.06 0.03 -0.02 -0.04 7.32 7.34 2j66A1 GLY 160 H 0.15 0.02 0.17 -0.55 8.43 8.22 2j66A1 GLY 160 HA2 0.07 -0.05 0.44 -0.51 4.01 3.97 2j66A1 GLY 160 HA3 0.09 0.02 0.19 -0.51 4.01 3.80 2j66A1 MET 161 H 0.06 0.55 0.34 -0.55 8.47 8.87 2j66A1 MET 161 HA 0.03 0.17 0.93 -0.75 4.52 4.90 2j66A1 MET 161 HB2 0.05 0.02 0.00 -0.04 2.15 2.18 2j66A1 MET 161 HB3 0.03 -0.03 -0.03 -0.04 2.03 1.97 2j66A1 MET 161 HG2 0.02 -0.03 -0.11 -0.04 2.63 2.47 2j66A1 MET 161 HG3 0.04 0.10 -0.72 -0.04 2.56 1.93 2j66A1 MET 161 HE3 0.05 0.02 -0.25 -0.04 2.10 1.88 2j66A1 ASP 162 H 0.03 0.15 0.15 -0.55 8.40 8.19 2j66A1 ASP 162 HA 0.05 0.28 0.50 -0.75 4.63 4.71 2j66A1 ASP 162 HB2 0.03 -0.04 0.13 -0.04 2.71 2.78 2j66A1 ASP 162 HB3 0.03 -0.13 0.04 -0.04 2.70 2.60 2j66A1 GLU 163 H 0.07 0.52 0.23 -0.55 8.60 8.88 2j66A1 GLU 163 HA 0.10 0.09 0.35 -0.75 4.29 4.07 2j66A1 GLU 163 HB2 0.14 0.01 0.09 -0.04 2.09 2.30 2j66A1 GLU 163 HB3 0.10 -0.01 0.14 -0.04 1.99 2.18 2j66A1 GLU 163 HG2 0.10 0.02 -0.10 -0.04 2.34 2.33 2j66A1 GLU 163 HG3 0.14 0.04 0.03 -0.04 2.34 2.51 2j66A1 SER 164 H 0.05 0.11 -0.27 -0.55 8.46 7.81 2j66A1 SER 164 HA 0.05 0.11 0.40 -0.75 4.49 4.30 2j66A1 SER 164 HB2 0.03 0.04 0.10 -0.04 3.95 4.07 2j66A1 SER 164 HB3 0.03 0.03 0.09 -0.04 3.93 4.05 2j66A1 MET 165 H 0.04 0.61 -0.53 -0.55 8.47 8.05 2j66A1 MET 165 HA 0.03 0.14 0.74 -0.75 4.52 4.68 2j66A1 MET 165 HB2 0.03 0.12 -0.02 -0.04 2.15 2.24 2j66A1 MET 165 HB3 0.02 -0.08 0.13 -0.04 2.03 2.06 2j66A1 MET 165 HG2 0.02 0.04 -0.08 -0.04 2.63 2.57 2j66A1 MET 165 HG3 0.03 -0.07 -0.08 -0.04 2.56 2.40 2j66A1 MET 165 HE3 0.00 0.01 0.02 -0.04 2.10 2.09 2j66A1 LEU 166 H 0.06 0.51 -0.31 -0.55 8.37 8.09 2j66A1 LEU 166 HA 0.03 0.01 0.29 -0.75 4.35 3.93 2j66A1 LEU 166 HB2 0.10 0.21 0.17 -0.04 1.64 2.08 2j66A1 LEU 166 HB3 0.15 0.00 0.04 -0.04 1.64 1.78 2j66A1 LEU 166 HG 0.12 -0.01 -0.12 -0.04 1.64 1.60 2j66A1 LEU 166 HD13 0.06 -0.02 -0.02 -0.04 0.93 0.91 2j66A1 LEU 166 HD23 0.19 0.01 -0.04 -0.04 0.89 1.01 2j66A1 ASP 167 H 0.08 0.19 -0.23 -0.55 8.40 7.89 2j66A1 ASP 167 HA 0.10 0.12 0.35 -0.75 4.63 4.45 2j66A1 ASP 167 HB2 0.05 -0.03 0.06 -0.04 2.71 2.76 2j66A1 ASP 167 HB3 0.07 0.05 -0.04 -0.04 2.70 2.73 2j66A1 ALA 168 H 0.02 0.14 -0.20 -0.55 8.40 7.81 2j66A1 ALA 168 HA -0.00 0.07 0.40 -0.75 4.34 4.06 2j66A1 ALA 168 HB3 0.01 0.03 0.09 -0.04 1.41 1.49 2j66A1 VAL 169 H -0.01 0.56 -0.15 -0.55 8.24 8.09 2j66A1 VAL 169 HA -0.00 -0.05 0.37 -0.75 4.13 3.69 2j66A1 VAL 169 HB -0.03 0.13 0.09 -0.04 2.12 2.26 2j66A1 VAL 169 HG13 0.00 -0.02 -0.18 -0.04 0.97 0.73 2j66A1 VAL 169 HG23 0.02 0.06 -0.09 -0.04 0.95 0.90 2j66A1 MET 170 H -0.18 0.77 -0.04 -0.55 8.47 8.47 2j66A1 MET 170 HA -0.34 -0.01 0.42 -0.75 4.52 3.84 2j66A1 MET 170 HB2 -0.65 0.08 0.08 -0.04 2.15 1.62 2j66A1 MET 170 HB3 -0.77 0.02 0.02 -0.04 2.03 1.25 2j66A1 MET 170 HG2 -0.41 0.16 0.05 -0.04 2.63 2.38 2j66A1 MET 170 HG3 -1.30 -0.00 -0.04 -0.04 2.56 1.17 2j66A1 MET 170 HE3 -1.10 0.02 -0.05 -0.04 2.10 0.93 2j66A1 ASP 171 H -0.11 0.48 -0.28 -0.55 8.40 7.94 2j66A1 ASP 171 HA -0.08 0.06 0.44 -0.75 4.63 4.30 2j66A1 ASP 171 HB2 -0.02 0.08 0.17 -0.04 2.71 2.90 2j66A1 ASP 171 HB3 -0.01 -0.06 0.01 -0.04 2.70 2.60 2j66A1 ALA 172 H -0.03 0.44 -0.19 -0.55 8.40 8.08 2j66A1 ALA 172 HA 0.03 0.02 0.40 -0.75 4.34 4.05 2j66A1 ALA 172 HB3 0.10 0.01 0.11 -0.04 1.41 1.59 2j66A1 VAL 173 H -0.08 0.56 -0.00 -0.55 8.24 8.17 2j66A1 VAL 173 HA -0.08 -0.03 0.31 -0.75 4.13 3.59 2j66A1 VAL 173 HB 0.01 -0.00 -0.03 -0.04 2.12 2.06 2j66A1 VAL 173 HG13 0.02 0.03 -0.02 -0.04 0.97 0.95 2j66A1 VAL 173 HG23 -0.26 0.01 0.06 -0.04 0.95 0.72 2j66A1 ARG 174 H -0.12 0.47 -0.31 -0.55 8.46 7.95 2j66A1 ARG 174 HA -0.06 0.07 0.41 -0.75 4.34 4.00 2j66A1 ARG 174 HB2 -0.11 -0.02 0.11 -0.04 1.90 1.84 2j66A1 ARG 174 HB3 -0.08 0.08 0.12 -0.04 1.80 1.88 2j66A1 ARG 174 HG2 -0.04 -0.01 -0.19 -0.04 1.67 1.39 2j66A1 ARG 174 HG3 -0.04 -0.01 0.07 -0.04 1.67 1.65 2j66A1 ARG 174 HD2 -0.05 0.01 0.01 -0.04 3.22 3.15 2j66A1 ARG 174 HD3 -0.04 -0.02 -0.01 -0.04 3.22 3.11 2j66A1 SER 175 H -0.07 0.35 -0.36 -0.55 8.46 7.83 2j66A1 SER 175 HA -0.03 0.06 0.52 -0.75 4.49 4.29 2j66A1 SER 175 HB2 -0.01 -0.12 0.13 -0.04 3.95 3.91 2j66A1 SER 175 HB3 -0.02 0.07 0.12 -0.04 3.93 4.06 2j66A1 LEU 176 H -0.10 0.41 -0.39 -0.55 8.37 7.74 2j66A1 LEU 176 HA -0.11 -0.01 0.73 -0.75 4.35 4.21 2j66A1 LEU 176 HB2 -0.11 0.15 0.20 -0.04 1.64 1.84 2j66A1 LEU 176 HB3 -0.12 -0.14 0.05 -0.04 1.64 1.39 2j66A1 LEU 176 HG -0.35 0.35 -0.04 -0.04 1.64 1.55 2j66A1 LEU 176 HD13 -0.34 -0.02 -0.22 -0.04 0.93 0.30 2j66A1 LEU 176 HD23 -0.77 -0.02 -0.08 -0.04 0.89 -0.02 2j66A1 GLN 177 H 0.05 0.18 0.16 -0.55 8.47 8.32 2j66A1 GLN 177 HA 0.01 0.20 0.35 -0.75 4.36 4.17 2j66A1 GLN 177 HB2 0.23 -0.06 0.12 -0.04 2.15 2.39 2j66A1 GLN 177 HB3 0.02 0.01 0.05 -0.04 2.02 2.05 2j66A1 GLN 177 HG2 0.01 0.06 0.02 -0.04 2.40 2.45 2j66A1 GLN 177 HG3 0.04 0.09 0.06 -0.04 2.39 2.54 2j66A1 GLN 177 HE21 0.01 -0.05 0.02 -0.04 6.97 6.91 2j66A1 GLN 177 HE22 -0.01 0.04 0.02 -0.04 7.69 7.70 2j66A1 PHE 178 H 0.30 0.01 -0.20 -0.55 8.34 7.90 2j66A1 PHE 178 HA -0.02 0.23 0.82 -0.75 4.62 4.90 2j66A1 PHE 178 HB2 -0.02 -0.06 0.07 -0.04 3.15 3.09 2j66A1 PHE 178 HB3 -0.01 0.15 0.19 -0.04 3.06 3.35 2j66A1 PHE 178 HD2 -0.01 0.02 -0.13 -0.04 7.28 7.12 2j66A1 PHE 178 HE2 -0.01 -0.00 -0.02 -0.04 7.38 7.31 2j66A1 PHE 178 HZ -0.00 -0.02 -0.01 -0.04 7.32 7.24 2j66A1 THR 179 H 0.06 0.46 -0.27 -0.55 8.28 7.98 2j66A1 THR 179 HA 0.04 0.24 1.05 -0.75 4.39 4.97 2j66A1 THR 179 HB -0.01 0.14 0.07 -0.04 4.32 4.48 2j66A1 THR 179 HG23 0.00 -0.02 -0.16 -0.04 1.22 1.00 2j66A1 LYS 180 H 0.00 0.78 0.32 -0.55 8.42 8.96 2j66A1 LYS 180 HA 0.03 0.20 1.00 -0.75 4.32 4.80 2j66A1 LYS 180 HB2 -0.01 0.02 -0.10 -0.04 1.87 1.74 2j66A1 LYS 180 HB3 -0.02 -0.02 0.04 -0.04 1.79 1.74 2j66A1 LYS 180 HG2 -0.01 0.08 -0.35 -0.04 1.46 1.14 2j66A1 LYS 180 HG3 0.02 -0.00 0.03 -0.04 1.46 1.46 2j66A1 LYS 180 HD2 -0.01 -0.02 -0.05 -0.04 1.69 1.58 2j66A1 LYS 180 HD3 -0.02 -0.02 -0.07 -0.04 1.68 1.52 2j66A1 LYS 180 HE2 -0.01 0.05 -0.02 -0.04 2.99 2.98 2j66A1 LYS 180 HE3 0.01 -0.01 0.00 -0.04 2.99 2.95 2j66A1 PHE 181 H 0.16 0.20 0.13 -0.55 8.34 8.27 2j66A1 PHE 181 HA -0.05 0.12 0.66 -0.75 4.62 4.59 2j66A1 PHE 181 HB2 -0.05 0.00 0.05 -0.04 3.15 3.11 2j66A1 PHE 181 HB3 -0.03 0.04 0.13 -0.04 3.06 3.16 2j66A1 PHE 181 HD2 -0.03 0.02 -0.14 -0.04 7.28 7.10 2j66A1 PHE 181 HE2 0.01 -0.03 -0.14 -0.04 7.38 7.18 2j66A1 PHE 181 HZ 0.02 -0.05 -0.17 -0.04 7.32 7.08 2j66A1 ILE 182 H -0.56 0.64 0.48 -0.55 8.25 8.27 2j66A1 ILE 182 HA -0.25 0.25 1.11 -0.75 4.18 4.54 2j66A1 ILE 182 HB -0.34 -0.04 0.06 -0.04 1.89 1.53 2j66A1 ILE 182 HG12 -0.42 0.10 -0.20 -0.04 1.49 0.92 2j66A1 ILE 182 HG13 -0.36 0.29 -0.20 -0.04 1.21 0.90 2j66A1 ILE 182 HG23 -0.20 0.07 -0.13 -0.04 0.93 0.62 2j66A1 ILE 182 HD13 -0.40 -0.03 -0.44 -0.04 0.88 -0.02 2j66A1 GLY 183 H -1.29 0.16 0.32 -0.55 8.43 7.07 2j66A1 GLY 183 HA2 -0.42 -0.01 0.36 -0.51 4.01 3.43 2j66A1 GLY 183 HA3 -0.32 0.46 0.85 -0.51 4.01 4.49 2j66A1 ILE 184 H -0.09 0.43 0.38 -0.55 8.25 8.42 2j66A1 ILE 184 HA 0.04 0.18 1.13 -0.75 4.18 4.77 2j66A1 ILE 184 HB 0.11 -0.02 0.11 -0.04 1.89 2.05 2j66A1 ILE 184 HG12 0.02 0.02 0.11 -0.04 1.49 1.60 2j66A1 ILE 184 HG13 0.04 -0.05 -0.16 -0.04 1.21 0.99 2j66A1 ILE 184 HG23 0.22 -0.00 -0.16 -0.04 0.93 0.95 2j66A1 ILE 184 HD13 0.08 0.03 -0.10 -0.04 0.88 0.85 2j66A1 HIS 185 H 0.13 0.47 0.36 -0.55 8.41 8.82 2j66A1 HIS 185 HA -0.01 0.30 0.88 -0.75 4.63 5.05 2j66A1 HIS 185 HB2 -0.05 0.05 -0.31 -0.04 3.26 2.91 2j66A1 HIS 185 HB3 0.00 -0.05 -0.10 -0.04 3.20 3.00 2j66A1 HIS 185 HD2 0.02 0.19 -0.10 -0.04 6.97 7.04 2j66A1 HIS 185 HE1 -0.11 -0.05 -0.17 -0.04 7.75 7.37 2j66A1 VAL 186 H 0.25 0.63 0.20 -0.55 8.24 8.77 2j66A1 VAL 186 HA -0.01 0.24 0.91 -0.75 4.13 4.51 2j66A1 VAL 186 HB 0.09 0.04 0.08 -0.04 2.12 2.29 2j66A1 VAL 186 HG13 0.06 -0.00 -0.13 -0.04 0.97 0.85 2j66A1 VAL 186 HG23 0.14 0.03 -0.11 -0.04 0.95 0.96 2j66A1 TYR 187 H -0.04 0.36 0.02 -0.55 8.29 8.08 2j66A1 TYR 187 HA -0.05 0.05 0.72 -0.75 4.56 4.52 2j66A1 TYR 187 HB2 -0.15 0.03 -0.15 -0.04 3.06 2.75 2j66A1 TYR 187 HB3 -0.27 0.04 0.01 -0.04 2.98 2.72 2j66A1 TYR 187 HD2 -0.11 -0.00 -0.06 -0.04 7.15 6.93 2j66A1 TYR 187 HE2 -0.08 -0.06 -0.10 -0.04 6.85 6.57 2j66A1 THR 188 H -0.33 0.16 0.06 -0.55 8.28 7.62 2j66A1 THR 188 HA -0.11 0.23 0.75 -0.75 4.39 4.50 2j66A1 THR 188 HB -0.02 0.03 0.13 -0.04 4.32 4.42 2j66A1 THR 188 HG23 0.03 0.01 -0.04 -0.04 1.22 1.17 2j66A1 GLY 189 H -1.32 -0.04 -0.15 -0.55 8.43 6.37 2j66A1 GLY 189 HA2 -0.24 -0.02 0.26 -0.51 4.01 3.50 2j66A1 GLY 189 HA3 -0.18 0.32 0.86 -0.51 4.01 4.51 2j66A1 THR 190 H -0.02 0.16 0.11 -0.55 8.28 7.97 2j66A1 THR 190 HA 0.08 0.04 0.68 -0.75 4.39 4.44 2j66A1 THR 190 HB 0.08 -0.04 0.05 -0.04 4.32 4.36 2j66A1 THR 190 HG23 -0.08 0.04 -0.10 -0.04 1.22 1.04 2j66A1 GLN 191 H 0.11 0.04 0.06 -0.55 8.47 8.13 2j66A1 GLN 191 HA 0.13 -0.06 0.29 -0.75 4.36 3.97 2j66A1 GLN 191 HB2 0.08 -0.03 -0.01 -0.04 2.15 2.15 2j66A1 GLN 191 HB3 0.05 0.15 -0.09 -0.04 2.02 2.09 2j66A1 GLN 191 HG2 0.12 0.06 0.06 -0.04 2.40 2.60 2j66A1 GLN 191 HG3 0.11 -0.02 0.16 -0.04 2.39 2.60 2j66A1 GLN 191 HE21 0.22 0.57 0.11 -0.04 6.97 7.82 2j66A1 GLN 191 HE22 0.23 -0.03 0.03 -0.04 7.69 7.88 2j66A1 ASN 192 H 0.09 0.59 -0.02 -0.55 8.53 8.65 2j66A1 ASN 192 HA 0.03 0.12 0.65 -0.75 4.76 4.81 2j66A1 ASN 192 HB2 0.00 0.12 -0.04 -0.04 2.88 2.93 2j66A1 ASN 192 HB3 0.07 0.01 0.10 -0.04 2.79 2.93 2j66A1 ASN 192 HD21 -0.01 -0.07 -0.11 -0.04 7.03 6.80 2j66A1 ASN 192 HD22 -0.03 0.07 -0.08 -0.04 7.74 7.66 2j66A1 LEU 193 H 0.04 0.28 0.14 -0.55 8.37 8.27 2j66A1 LEU 193 HA 0.02 0.14 0.82 -0.75 4.35 4.57 2j66A1 LEU 193 HB2 0.05 0.04 0.06 -0.04 1.64 1.74 2j66A1 LEU 193 HB3 0.03 0.09 0.14 -0.04 1.64 1.87 2j66A1 LEU 193 HG 0.08 -0.00 -0.33 -0.04 1.64 1.35 2j66A1 LEU 193 HD13 0.08 0.03 -0.08 -0.04 0.93 0.93 2j66A1 LEU 193 HD23 0.05 0.03 -0.33 -0.04 0.89 0.60 2j66A1 ASN 194 H 0.01 0.13 -0.21 -0.55 8.53 7.90 2j66A1 ASN 194 HA -0.01 0.22 0.89 -0.75 4.76 5.11 2j66A1 ASN 194 HB2 0.01 0.12 0.03 -0.04 2.88 3.00 2j66A1 ASN 194 HB3 0.01 -0.03 0.16 -0.04 2.79 2.89 2j66A1 ASN 194 HD21 0.01 0.06 -0.01 -0.04 7.03 7.05 2j66A1 ASN 194 HD22 0.01 0.09 -0.01 -0.04 7.74 7.79 2j66A1 THR 195 H -0.04 0.32 0.08 -0.55 8.28 8.10 2j66A1 THR 195 HA -0.10 0.08 0.31 -0.75 4.39 3.93 2j66A1 THR 195 HB -0.05 0.03 0.16 -0.04 4.32 4.42 2j66A1 THR 195 HG23 -0.09 0.03 -0.06 -0.04 1.22 1.06 2j66A1 ASP 196 H -0.03 0.15 -0.08 -0.55 8.40 7.90 2j66A1 ASP 196 HA -0.04 0.10 0.46 -0.75 4.63 4.40 2j66A1 ASP 196 HB2 -0.01 0.02 0.06 -0.04 2.71 2.74 2j66A1 ASP 196 HB3 -0.01 0.06 0.03 -0.04 2.70 2.74 2j66A1 SER 197 H -0.01 0.17 -0.30 -0.55 8.46 7.77 2j66A1 SER 197 HA 0.03 0.05 0.44 -0.75 4.49 4.25 2j66A1 SER 197 HB2 0.06 -0.04 0.08 -0.04 3.95 4.01 2j66A1 SER 197 HB3 0.03 0.01 0.09 -0.04 3.93 4.01 2j66A1 ILE 198 H -0.04 0.36 -0.22 -0.55 8.25 7.80 2j66A1 ILE 198 HA -0.06 0.07 0.46 -0.75 4.18 3.90 2j66A1 ILE 198 HB -0.06 0.10 0.15 -0.04 1.89 2.03 2j66A1 ILE 198 HG12 0.07 0.11 0.01 -0.04 1.49 1.63 2j66A1 ILE 198 HG13 -0.01 0.01 -0.02 -0.04 1.21 1.14 2j66A1 ILE 198 HG23 0.15 0.00 -0.10 -0.04 0.93 0.94 2j66A1 ILE 198 HD13 -0.03 -0.01 -0.11 -0.04 0.88 0.69 2j66A1 ILE 199 H -0.06 0.40 -0.03 -0.55 8.25 8.00 2j66A1 ILE 199 HA -0.06 0.05 0.40 -0.75 4.18 3.82 2j66A1 ILE 199 HB -0.06 0.04 0.16 -0.04 1.89 1.98 2j66A1 ILE 199 HG12 -0.06 0.03 0.07 -0.04 1.49 1.49 2j66A1 ILE 199 HG13 -0.07 0.06 0.09 -0.04 1.21 1.25 2j66A1 ILE 199 HG23 -0.09 0.00 -0.13 -0.04 0.93 0.67 2j66A1 ILE 199 HD13 -0.06 -0.03 -0.17 -0.04 0.88 0.58 2j66A1 GLU 200 H -0.08 0.59 -0.15 -0.55 8.60 8.42 2j66A1 GLU 200 HA -0.07 0.03 0.39 -0.75 4.29 3.89 2j66A1 GLU 200 HB2 0.02 0.02 0.11 -0.04 2.09 2.21 2j66A1 GLU 200 HB3 0.00 0.03 0.16 -0.04 1.99 2.14 2j66A1 GLU 200 HG2 0.37 -0.01 -0.27 -0.04 2.34 2.39 2j66A1 GLU 200 HG3 0.16 -0.02 0.01 -0.04 2.34 2.45 2j66A1 SER 201 H -0.39 0.54 -0.17 -0.55 8.46 7.89 2j66A1 SER 201 HA -1.42 -0.01 0.40 -0.75 4.49 2.71 2j66A1 SER 201 HB2 -0.90 -0.00 0.14 -0.04 3.95 3.14 2j66A1 SER 201 HB3 -0.34 0.12 0.21 -0.04 3.93 3.87 2j66A1 MET 202 H -0.14 0.62 -0.09 -0.55 8.47 8.31 2j66A1 MET 202 HA -0.01 0.05 0.47 -0.75 4.52 4.27 2j66A1 MET 202 HB2 -0.04 0.05 0.16 -0.04 2.15 2.29 2j66A1 MET 202 HB3 0.02 -0.04 0.05 -0.04 2.03 2.02 2j66A1 MET 202 HG2 0.02 0.11 0.07 -0.04 2.63 2.79 2j66A1 MET 202 HG3 -0.00 0.24 0.10 -0.04 2.56 2.86 2j66A1 MET 202 HE3 0.13 0.02 -0.14 -0.04 2.10 2.06 2j66A1 LYS 203 H -0.12 0.63 -0.08 -0.55 8.42 8.30 2j66A1 LYS 203 HA -0.06 0.03 0.45 -0.75 4.32 4.00 2j66A1 LYS 203 HB2 -0.20 0.08 0.14 -0.04 1.87 1.84 2j66A1 LYS 203 HB3 -0.64 -0.04 0.02 -0.04 1.79 1.09 2j66A1 LYS 203 HG2 -0.96 -0.03 0.02 -0.04 1.46 0.45 2j66A1 LYS 203 HG3 -0.29 0.16 0.08 -0.04 1.46 1.37 2j66A1 LYS 203 HD2 -0.31 -0.04 -0.07 -0.04 1.69 1.23 2j66A1 LYS 203 HD3 -0.24 -0.03 -0.11 -0.04 1.68 1.26 2j66A1 LYS 203 HE2 -0.55 0.00 -0.03 -0.04 2.99 2.37 2j66A1 LYS 203 HE3 -1.07 0.01 -0.01 -0.04 2.99 1.87 2j66A1 TYR 204 H 0.08 0.57 -0.23 -0.55 8.29 8.16 2j66A1 TYR 204 HA 0.09 -0.01 0.38 -0.75 4.56 4.27 2j66A1 TYR 204 HB2 0.14 0.13 0.12 -0.04 3.06 3.40 2j66A1 TYR 204 HB3 0.00 0.16 0.13 -0.04 2.98 3.23 2j66A1 TYR 204 HD2 0.20 0.04 -0.14 -0.04 7.15 7.21 2j66A1 TYR 204 HE2 0.11 -0.03 -0.07 -0.04 6.85 6.82 2j66A1 THR 205 H 0.12 0.48 -0.28 -0.55 8.28 8.05 2j66A1 THR 205 HA 0.14 -0.02 0.41 -0.75 4.39 4.17 2j66A1 THR 205 HB 0.09 0.16 0.12 -0.04 4.32 4.64 2j66A1 THR 205 HG23 0.09 -0.01 -0.16 -0.04 1.22 1.10 2j66A1 VAL 206 H 0.12 0.51 -0.12 -0.55 8.24 8.20 2j66A1 VAL 206 HA 0.06 0.04 0.42 -0.75 4.13 3.90 2j66A1 VAL 206 HB 0.32 0.13 0.16 -0.04 2.12 2.69 2j66A1 VAL 206 HG13 -0.05 0.00 -0.09 -0.04 0.97 0.79 2j66A1 VAL 206 HG23 0.16 0.05 0.01 -0.04 0.95 1.13 2j66A1 ASP 207 H 0.10 0.55 -0.24 -0.55 8.40 8.26 2j66A1 ASP 207 HA 0.06 0.02 0.43 -0.75 4.63 4.39 2j66A1 ASP 207 HB2 -0.11 0.14 0.14 -0.04 2.71 2.84 2j66A1 ASP 207 HB3 -0.04 -0.07 0.03 -0.04 2.70 2.58 2j66A1 LEU 208 H -0.03 0.42 -0.31 -0.55 8.37 7.91 2j66A1 LEU 208 HA -0.02 -0.02 0.44 -0.75 4.35 4.00 2j66A1 LEU 208 HB2 0.06 0.22 0.16 -0.04 1.64 2.04 2j66A1 LEU 208 HB3 0.08 -0.07 -0.02 -0.04 1.64 1.59 2j66A1 LEU 208 HG -0.15 0.21 0.02 -0.04 1.64 1.68 2j66A1 LEU 208 HD13 0.23 -0.04 -0.06 -0.04 0.93 1.03 2j66A1 LEU 208 HD23 0.04 -0.03 -0.00 -0.04 0.89 0.86 2j66A1 GLY 209 H 0.01 0.43 -0.32 -0.55 8.43 8.01 2j66A1 GLY 209 HA2 0.13 -0.02 0.43 -0.51 4.01 4.03 2j66A1 GLY 209 HA3 -0.10 0.11 0.30 -0.51 4.01 3.82 2j66A1 ARG 210 H 0.11 0.35 -0.20 -0.55 8.46 8.17 2j66A1 ARG 210 HA 0.43 0.05 0.43 -0.75 4.34 4.50 2j66A1 ARG 210 HB2 0.12 0.11 0.22 -0.04 1.90 2.30 2j66A1 ARG 210 HB3 0.14 -0.04 -0.01 -0.04 1.80 1.86 2j66A1 ARG 210 HG2 0.31 -0.01 0.04 -0.04 1.67 1.98 2j66A1 ARG 210 HG3 0.28 0.06 0.03 -0.04 1.67 2.00 2j66A1 ARG 210 HD2 0.09 -0.02 0.00 -0.04 3.22 3.26 2j66A1 ARG 210 HD3 0.10 -0.00 -0.01 -0.04 3.22 3.27 2j66A1 ASN 211 H 0.08 0.59 -0.09 -0.55 8.53 8.56 2j66A1 ASN 211 HA 0.02 0.00 0.39 -0.75 4.76 4.42 2j66A1 ASN 211 HB2 0.04 0.11 0.16 -0.04 2.88 3.14 2j66A1 ASN 211 HB3 -0.00 -0.07 0.03 -0.04 2.79 2.71 2j66A1 ASN 211 HD21 -0.01 -0.03 -0.02 -0.04 7.03 6.93 2j66A1 ASN 211 HD22 0.00 -0.03 0.01 -0.04 7.74 7.68 2j66A1 ILE 212 H 0.16 0.56 -0.27 -0.55 8.25 8.14 2j66A1 ILE 212 HA 0.20 -0.04 0.41 -0.75 4.18 4.00 2j66A1 ILE 212 HB 0.26 0.19 0.16 -0.04 1.89 2.46 2j66A1 ILE 212 HG12 0.28 -0.09 -0.01 -0.04 1.49 1.63 2j66A1 ILE 212 HG13 0.18 0.17 0.06 -0.04 1.21 1.58 2j66A1 ILE 212 HG23 0.27 0.01 -0.14 -0.04 0.93 1.03 2j66A1 ILE 212 HD13 0.23 -0.03 -0.09 -0.04 0.88 0.95 2j66A1 TYR 213 H 0.29 0.41 -0.18 -0.55 8.29 8.26 2j66A1 TYR 213 HA 0.07 0.06 0.50 -0.75 4.56 4.44 2j66A1 TYR 213 HB2 0.05 0.07 0.08 -0.04 3.06 3.22 2j66A1 TYR 213 HB3 0.05 0.07 0.17 -0.04 2.98 3.24 2j66A1 TYR 213 HD2 -0.03 -0.00 -0.34 -0.04 7.15 6.74 2j66A1 TYR 213 HE2 -0.05 0.02 -0.07 -0.04 6.85 6.71 2j66A1 GLU 214 H 0.05 0.54 -0.06 -0.55 8.60 8.58 2j66A1 GLU 214 HA -0.26 0.06 0.45 -0.75 4.29 3.78 2j66A1 GLU 214 HB2 -0.06 0.04 0.12 -0.04 2.09 2.16 2j66A1 GLU 214 HB3 -0.07 -0.06 0.05 -0.04 1.99 1.87 2j66A1 GLU 214 HG2 0.06 -0.04 0.01 -0.04 2.34 2.33 2j66A1 GLU 214 HG3 0.12 0.36 0.10 -0.04 2.34 2.88 2j66A1 ARG 215 H -0.25 0.48 -0.13 -0.55 8.46 8.01 2j66A1 ARG 215 HA -0.30 0.13 0.74 -0.75 4.34 4.16 2j66A1 ARG 215 HB2 -1.04 0.03 0.06 -0.04 1.90 0.91 2j66A1 ARG 215 HB3 -0.81 -0.08 0.04 -0.04 1.80 0.92 2j66A1 ARG 215 HG2 -0.22 -0.03 -0.03 -0.04 1.67 1.35 2j66A1 ARG 215 HG3 -0.21 0.09 0.03 -0.04 1.67 1.54 2j66A1 ARG 215 HD2 -0.20 -0.00 -0.09 -0.04 3.22 2.89 2j66A1 ARG 215 HD3 -0.18 -0.06 -0.03 -0.04 3.22 2.90 2j66A1 TYR 216 H -0.22 0.36 -0.08 -0.55 8.29 7.80 2j66A1 TYR 216 HA -0.08 0.20 0.95 -0.75 4.56 4.87 2j66A1 TYR 216 HB2 -0.07 0.06 0.07 -0.04 3.06 3.08 2j66A1 TYR 216 HB3 -0.09 -0.02 0.10 -0.04 2.98 2.93 2j66A1 TYR 216 HD2 -0.06 0.08 -0.00 -0.04 7.15 7.14 2j66A1 TYR 216 HE2 -0.03 -0.05 -0.08 -0.04 6.85 6.65 2j66A1 GLY 217 H -0.20 0.37 0.01 -0.55 8.43 8.06 2j66A1 GLY 217 HA2 -0.51 0.14 0.39 -0.51 4.01 3.52 2j66A1 GLY 217 HA3 -0.12 0.00 0.43 -0.51 4.01 3.82 2j66A1 ILE 218 H 0.13 0.12 -0.29 -0.55 8.25 7.66 2j66A1 ILE 218 HA 0.15 0.19 0.80 -0.75 4.18 4.56 2j66A1 ILE 218 HB 0.13 -0.06 -0.10 -0.04 1.89 1.81 2j66A1 ILE 218 HG12 0.05 0.05 -0.10 -0.04 1.49 1.45 2j66A1 ILE 218 HG13 0.06 0.17 -0.27 -0.04 1.21 1.13 2j66A1 ILE 218 HG23 0.22 -0.02 -0.30 -0.04 0.93 0.79 2j66A1 ILE 218 HD13 -0.17 -0.02 -0.05 -0.04 0.88 0.60 2j66A1 VAL 219 H 0.15 0.23 0.07 -0.55 8.24 8.14 2j66A1 VAL 219 HA 0.17 0.11 0.77 -0.75 4.13 4.42 2j66A1 VAL 219 HB 0.02 -0.03 0.12 -0.04 2.12 2.19 2j66A1 VAL 219 HG13 -0.12 0.03 -0.14 -0.04 0.97 0.69 2j66A1 VAL 219 HG23 -0.22 0.01 -0.07 -0.04 0.95 0.63 2j66A1 CYS 220 H 0.40 0.13 0.01 -0.55 8.50 8.49 2j66A1 CYS 220 HA 0.13 0.02 0.28 -0.75 4.58 4.25 2j66A1 CYS 220 HB2 0.07 -0.02 0.05 -0.04 2.97 3.03 2j66A1 CYS 220 HB3 -0.06 0.09 -0.05 -0.04 2.97 2.91 2j66A1 GLU 221 H -0.06 0.28 0.27 -0.55 8.60 8.54 2j66A1 GLU 221 HA 0.00 0.08 0.53 -0.75 4.29 4.14 2j66A1 GLU 221 HB2 -0.02 0.01 0.20 -0.04 2.09 2.24 2j66A1 GLU 221 HB3 -0.10 0.06 0.26 -0.04 1.99 2.16 2j66A1 GLU 221 HG2 0.06 -0.04 -0.01 -0.04 2.34 2.31 2j66A1 GLU 221 HG3 0.03 0.03 0.13 -0.04 2.34 2.49 2j66A1 CYS 222 H -0.16 0.40 0.17 -0.55 8.50 8.36 2j66A1 CYS 222 HA -0.18 0.41 0.90 -0.75 4.58 4.95 2j66A1 CYS 222 HB2 0.07 0.08 -0.17 -0.04 2.97 2.91 2j66A1 CYS 222 HB3 -0.19 -0.08 -0.10 -0.04 2.97 2.56 2j66A1 ILE 223 H -0.38 0.69 0.19 -0.55 8.25 8.20 2j66A1 ILE 223 HA -0.14 0.07 0.93 -0.75 4.18 4.29 2j66A1 ILE 223 HB -0.62 0.04 0.09 -0.04 1.89 1.36 2j66A1 ILE 223 HG12 -0.17 -0.05 -0.04 -0.04 1.49 1.19 2j66A1 ILE 223 HG13 -0.40 0.05 -0.42 -0.04 1.21 0.39 2j66A1 ILE 223 HG23 0.01 -0.03 -0.22 -0.04 0.93 0.66 2j66A1 ILE 223 HD13 -0.51 0.01 -0.02 -0.04 0.88 0.32 2j66A1 ASN 224 H -0.06 0.75 0.23 -0.55 8.53 8.91 2j66A1 ASN 224 HA -0.10 0.07 0.85 -0.75 4.76 4.82 2j66A1 ASN 224 HB2 -0.28 0.09 -0.01 -0.04 2.88 2.64 2j66A1 ASN 224 HB3 -0.16 -0.07 0.29 -0.04 2.79 2.81 2j66A1 ASN 224 HD21 -0.63 -0.06 -0.17 -0.04 7.03 6.12 2j66A1 ASN 224 HD22 -0.66 0.07 -0.17 -0.04 7.74 6.94 2j66A1 LEU 225 H 0.02 0.79 0.40 -0.55 8.37 9.03 2j66A1 LEU 225 HA 0.09 0.04 0.54 -0.75 4.35 4.26 2j66A1 LEU 225 HB2 0.04 0.11 0.14 -0.04 1.64 1.88 2j66A1 LEU 225 HB3 0.05 -0.11 0.15 -0.04 1.64 1.70 2j66A1 LEU 225 HG 0.13 0.10 0.09 -0.04 1.64 1.91 2j66A1 LEU 225 HD13 0.05 -0.01 -0.06 -0.04 0.93 0.87 2j66A1 LEU 225 HD23 0.14 -0.00 -0.07 -0.04 0.89 0.91 2j66A1 GLY 226 H 0.10 -0.00 -0.29 -0.55 8.43 7.69 2j66A1 GLY 226 HA2 0.28 -0.09 0.28 -0.51 4.01 3.97 2j66A1 GLY 226 HA3 0.26 0.18 0.63 -0.51 4.01 4.57 2j66A1 GLY 227 H 0.15 0.06 0.14 -0.55 8.43 8.23 2j66A1 GLY 227 HA2 0.00 0.11 0.38 -0.51 4.01 3.99 2j66A1 GLY 227 HA3 -0.20 0.24 0.72 -0.51 4.01 4.27 2j66A1 GLY 228 H 0.19 0.16 0.09 -0.55 8.43 8.31 2j66A1 GLY 228 HA2 0.22 -0.10 0.34 -0.51 4.01 3.95 2j66A1 GLY 228 HA3 0.00 0.37 0.52 -0.51 4.01 4.40 2j66A1 PHE 229 H 0.08 0.05 -0.20 -0.55 8.34 7.71 2j66A1 PHE 229 HA -0.00 0.13 0.38 -0.75 4.62 4.38 2j66A1 PHE 229 HB2 0.06 -0.18 0.12 -0.04 3.15 3.10 2j66A1 PHE 229 HB3 -0.15 0.14 -0.01 -0.04 3.06 3.00 2j66A1 PHE 229 HD2 -0.30 0.03 -0.10 -0.04 7.28 6.87 2j66A1 PHE 229 HE2 -0.04 0.06 -0.05 -0.04 7.38 7.31 2j66A1 PHE 229 HZ 0.03 0.06 -0.07 -0.04 7.32 7.29 2j66A1 GLY 230 H 0.13 0.52 0.26 -0.55 8.43 8.80 2j66A1 GLY 230 HA2 0.19 0.00 0.61 -0.51 4.01 4.31 2j66A1 GLY 230 HA3 0.13 0.04 0.05 -0.51 4.01 3.72 2j66A1 VAL 231 H 0.09 0.26 0.12 -0.55 8.24 8.16 2j66A1 VAL 231 HA 0.06 0.16 0.76 -0.75 4.13 4.35 2j66A1 VAL 231 HB -0.17 0.12 -0.01 -0.04 2.12 2.03 2j66A1 VAL 231 HG13 0.16 -0.02 -0.27 -0.04 0.97 0.80 2j66A1 VAL 231 HG23 -0.44 -0.02 -0.10 -0.04 0.95 0.35 2j66A1 PRO 232 HA -0.04 -0.02 0.50 -0.51 4.44 4.37 2j66A1 PRO 232 HB2 -0.03 0.15 -0.17 -0.04 2.28 2.19 2j66A1 PRO 232 HB3 -0.00 0.02 -0.37 -0.04 2.02 1.62 2j66A1 PRO 232 HG2 -0.08 0.07 0.06 -0.04 2.03 2.04 2j66A1 PRO 232 HG3 -0.01 0.00 -0.03 -0.04 2.03 1.95 2j66A1 PRO 232 HD2 -0.03 0.08 0.19 -0.04 3.68 3.87 2j66A1 PRO 232 HD3 0.01 0.04 0.05 -0.04 3.65 3.70 2j66A1 TYR 233 H -0.06 -0.04 0.23 -0.55 8.29 7.87 2j66A1 TYR 233 HA -0.23 0.24 0.89 -0.75 4.56 4.70 2j66A1 TYR 233 HB2 -0.95 -0.09 0.12 -0.04 3.06 2.10 2j66A1 TYR 233 HB3 -0.98 0.10 -0.01 -0.04 2.98 2.05 2j66A1 TYR 233 HD2 -0.14 0.03 0.04 -0.04 7.15 7.04 2j66A1 TYR 233 HE2 0.02 0.09 0.07 -0.04 6.85 6.99 2j66A1 PHE 234 H -0.04 -0.09 0.15 -0.55 8.34 7.80 2j66A1 PHE 234 HA 0.08 0.29 0.81 -0.75 4.62 5.06 2j66A1 PHE 234 HB2 0.07 0.00 0.08 -0.04 3.15 3.26 2j66A1 PHE 234 HB3 0.06 0.04 0.07 -0.04 3.06 3.19 2j66A1 PHE 234 HD2 0.08 0.02 -0.02 -0.04 7.28 7.32 2j66A1 PHE 234 HE2 0.03 0.03 -0.08 -0.04 7.38 7.33 2j66A1 PHE 234 HZ -0.04 0.06 -0.04 -0.04 7.32 7.26 2j66A1 GLU 237 HA 0.07 -0.04 0.29 -0.75 4.29 3.85 2j66A1 GLU 237 HB2 0.08 -0.15 0.10 -0.04 2.09 2.07 2j66A1 GLU 237 HB3 0.08 0.07 0.03 -0.04 1.99 2.13 2j66A1 GLU 237 HG2 0.15 0.08 0.08 -0.04 2.34 2.62 2j66A1 GLU 237 HG3 0.23 -0.03 0.12 -0.04 2.34 2.62 2j66A1 LYS 238 H 0.04 0.10 0.14 -0.55 8.42 8.15 2j66A1 LYS 238 HA 0.02 0.20 0.92 -0.75 4.32 4.70 2j66A1 LYS 238 HB2 0.02 -0.04 0.09 -0.04 1.87 1.90 2j66A1 LYS 238 HB3 0.01 0.04 0.07 -0.04 1.79 1.87 2j66A1 LYS 238 HG2 0.02 0.07 -0.04 -0.04 1.46 1.47 2j66A1 LYS 238 HG3 0.03 -0.02 -0.10 -0.04 1.46 1.33 2j66A1 LYS 238 HD2 0.01 -0.01 0.02 -0.04 1.69 1.67 2j66A1 LYS 238 HD3 0.01 0.02 -0.00 -0.04 1.68 1.67 2j66A1 LYS 238 HE2 0.02 0.01 0.01 -0.04 2.99 2.99 2j66A1 LYS 238 HE3 0.01 -0.02 0.02 -0.04 2.99 2.96 2j66A1 ALA 239 H 0.02 0.13 0.15 -0.55 8.40 8.15 2j66A1 ALA 239 HA 0.02 0.06 0.53 -0.75 4.34 4.20 2j66A1 ALA 239 HB3 0.04 0.02 0.12 -0.04 1.41 1.54 2j66A1 LEU 240 H 0.00 0.14 0.15 -0.55 8.37 8.12 2j66A1 LEU 240 HA -0.06 0.06 0.40 -0.75 4.35 4.00 2j66A1 LEU 240 HB2 -0.17 0.02 0.06 -0.04 1.64 1.51 2j66A1 LEU 240 HB3 -0.23 -0.06 -0.11 -0.04 1.64 1.20 2j66A1 LEU 240 HG -0.04 0.07 0.08 -0.04 1.64 1.71 2j66A1 LEU 240 HD13 -0.27 0.01 0.07 -0.04 0.93 0.70 2j66A1 LEU 240 HD23 -0.08 0.04 -0.26 -0.04 0.89 0.55 2j66A1 ASP 241 H -0.09 0.10 0.11 -0.55 8.40 7.97 2j66A1 ASP 241 HA -0.05 0.21 0.69 -0.75 4.63 4.73 2j66A1 ASP 241 HB2 -0.04 0.12 0.16 -0.04 2.71 2.91 2j66A1 ASP 241 HB3 -0.07 -0.07 0.28 -0.04 2.70 2.80 2j66A1 ILE 242 H -0.09 0.48 -0.06 -0.55 8.25 8.03 2j66A1 ILE 242 HA -0.29 0.03 0.33 -0.75 4.18 3.50 2j66A1 ILE 242 HB -0.07 0.04 0.05 -0.04 1.89 1.88 2j66A1 ILE 242 HG12 -0.13 0.10 -0.02 -0.04 1.49 1.40 2j66A1 ILE 242 HG13 -0.07 0.08 0.00 -0.04 1.21 1.19 2j66A1 ILE 242 HG23 -0.14 0.03 -0.08 -0.04 0.93 0.70 2j66A1 ILE 242 HD13 -0.70 -0.01 -0.05 -0.04 0.88 0.08 2j66A1 GLY 243 H -0.06 0.10 -0.19 -0.55 8.43 7.73 2j66A1 GLY 243 HA2 -0.04 0.17 0.39 -0.51 4.01 4.03 2j66A1 GLY 243 HA3 -0.03 0.08 0.26 -0.51 4.01 3.81 2j66A1 LYS 244 H -0.06 0.08 -0.25 -0.55 8.42 7.64 2j66A1 LYS 244 HA -0.04 0.09 0.43 -0.75 4.32 4.05 2j66A1 LYS 244 HB2 -0.04 -0.01 0.11 -0.04 1.87 1.88 2j66A1 LYS 244 HB3 -0.06 0.06 0.12 -0.04 1.79 1.87 2j66A1 LYS 244 HG2 -0.05 -0.01 -0.16 -0.04 1.46 1.20 2j66A1 LYS 244 HG3 -0.03 0.03 0.05 -0.04 1.46 1.47 2j66A1 LYS 244 HD2 -0.03 0.02 0.02 -0.04 1.69 1.66 2j66A1 LYS 244 HD3 -0.04 -0.07 -0.03 -0.04 1.68 1.49 2j66A1 LYS 244 HE2 -0.03 -0.01 -0.03 -0.04 2.99 2.87 2j66A1 LYS 244 HE3 -0.02 0.05 -0.00 -0.04 2.99 2.97 2j66A1 ILE 245 H -0.11 0.40 -0.11 -0.55 8.25 7.88 2j66A1 ILE 245 HA -0.07 -0.01 0.42 -0.75 4.18 3.77 2j66A1 ILE 245 HB -0.24 0.07 0.14 -0.04 1.89 1.82 2j66A1 ILE 245 HG12 -0.15 0.01 0.05 -0.04 1.49 1.35 2j66A1 ILE 245 HG13 -0.17 0.05 0.07 -0.04 1.21 1.11 2j66A1 ILE 245 HG23 -0.09 0.00 -0.15 -0.04 0.93 0.65 2j66A1 ILE 245 HD13 -0.47 -0.04 -0.09 -0.04 0.88 0.24 2j66A1 THR 246 H -0.05 0.66 -0.03 -0.55 8.28 8.31 2j66A1 THR 246 HA 0.05 -0.02 0.38 -0.75 4.39 4.05 2j66A1 THR 246 HB 0.05 0.26 -0.11 -0.04 4.32 4.48 2j66A1 THR 246 HG23 0.07 -0.01 -0.01 -0.04 1.22 1.24 2j66A1 ARG 247 H -0.02 0.48 -0.16 -0.55 8.46 8.21 2j66A1 ARG 247 HA -0.01 0.11 0.49 -0.75 4.34 4.19 2j66A1 ARG 247 HB2 -0.01 0.09 0.17 -0.04 1.90 2.11 2j66A1 ARG 247 HB3 -0.02 -0.04 0.19 -0.04 1.80 1.89 2j66A1 ARG 247 HG2 -0.01 -0.04 -0.15 -0.04 1.67 1.43 2j66A1 ARG 247 HG3 -0.01 0.02 0.05 -0.04 1.67 1.70 2j66A1 ARG 247 HD2 -0.01 -0.00 -0.01 -0.04 3.22 3.16 2j66A1 ARG 247 HD3 -0.01 0.00 -0.00 -0.04 3.22 3.16 2j66A1 THR 248 H -0.02 0.60 0.02 -0.55 8.28 8.34 2j66A1 THR 248 HA -0.00 0.03 0.43 -0.75 4.39 4.10 2j66A1 THR 248 HB -0.04 -0.06 0.05 -0.04 4.32 4.23 2j66A1 THR 248 HG23 -0.03 0.03 0.10 -0.04 1.22 1.28 2j66A1 VAL 249 H -0.01 0.63 -0.02 -0.55 8.24 8.30 2j66A1 VAL 249 HA 0.01 0.00 0.48 -0.75 4.13 3.86 2j66A1 VAL 249 HB 0.02 0.14 0.10 -0.04 2.12 2.33 2j66A1 VAL 249 HG13 -0.01 -0.01 -0.09 -0.04 0.97 0.82 2j66A1 VAL 249 HG23 -0.01 -0.01 0.06 -0.04 0.95 0.96 2j66A1 SER 250 H -0.01 0.54 -0.20 -0.55 8.46 8.25 2j66A1 SER 250 HA -0.06 -0.01 0.47 -0.75 4.49 4.13 2j66A1 SER 250 HB2 -0.01 0.19 0.29 -0.04 3.95 4.38 2j66A1 SER 250 HB3 -0.02 -0.07 0.11 -0.04 3.93 3.90 2j66A1 ASP 251 H 0.01 0.52 -0.15 -0.55 8.40 8.23 2j66A1 ASP 251 HA -0.01 0.04 0.47 -0.75 4.63 4.37 2j66A1 ASP 251 HB2 0.04 0.11 0.19 -0.04 2.71 3.00 2j66A1 ASP 251 HB3 0.03 -0.06 0.02 -0.04 2.70 2.65 2j66A1 TYR 252 H 0.12 0.48 -0.14 -0.55 8.29 8.20 2j66A1 TYR 252 HA -0.04 0.01 0.43 -0.75 4.56 4.20 2j66A1 TYR 252 HB2 -0.04 0.14 0.18 -0.04 3.06 3.30 2j66A1 TYR 252 HB3 -0.08 0.06 0.08 -0.04 2.98 2.99 2j66A1 TYR 252 HD2 -0.03 0.01 -0.00 -0.04 7.15 7.09 2j66A1 TYR 252 HE2 0.00 0.05 0.03 -0.04 6.85 6.89 2j66A1 VAL 253 H -0.08 0.64 -0.12 -0.55 8.24 8.13 2j66A1 VAL 253 HA -0.48 0.01 0.46 -0.75 4.13 3.36 2j66A1 VAL 253 HB -0.29 0.09 0.15 -0.04 2.12 2.03 2j66A1 VAL 253 HG13 -1.10 -0.00 -0.15 -0.04 0.97 -0.33 2j66A1 VAL 253 HG23 -0.44 0.02 0.00 -0.04 0.95 0.50 2j66A1 GLN 254 H -0.12 0.56 -0.15 -0.55 8.47 8.22 2j66A1 GLN 254 HA -0.08 0.04 0.42 -0.75 4.36 3.99 2j66A1 GLN 254 HB2 -0.05 0.06 0.16 -0.04 2.15 2.28 2j66A1 GLN 254 HB3 -0.04 0.08 0.15 -0.04 2.02 2.16 2j66A1 GLN 254 HG2 -0.02 -0.02 0.01 -0.04 2.40 2.32 2j66A1 GLN 254 HG3 -0.03 -0.02 -0.11 -0.04 2.39 2.19 2j66A1 GLN 254 HE21 0.00 0.05 -0.01 -0.04 6.97 6.97 2j66A1 GLN 254 HE22 -0.01 -0.02 -0.00 -0.04 7.69 7.62 2j66A1 GLU 255 H -0.11 0.46 -0.26 -0.55 8.60 8.14 2j66A1 GLU 255 HA -0.05 0.03 0.39 -0.75 4.29 3.90 2j66A1 GLU 255 HB2 -0.09 0.03 0.12 -0.04 2.09 2.11 2j66A1 GLU 255 HB3 -0.24 0.15 0.14 -0.04 1.99 2.00 2j66A1 GLU 255 HG2 -0.11 -0.04 -0.01 -0.04 2.34 2.13 2j66A1 GLU 255 HG3 -0.11 -0.02 -0.17 -0.04 2.34 2.00 2j66A1 ALA 256 H -0.15 0.40 -0.22 -0.55 8.40 7.88 2j66A1 ALA 256 HA 0.11 -0.05 0.43 -0.75 4.34 4.08 2j66A1 ALA 256 HB3 0.04 0.04 0.10 -0.04 1.41 1.55 2j66A1 ARG 257 H -0.01 0.55 -0.19 -0.55 8.46 8.26 2j66A1 ARG 257 HA 0.18 0.18 0.12 -0.75 4.34 4.06 2j66A1 ARG 257 HB2 0.02 0.04 0.09 -0.04 1.90 2.01 2j66A1 ARG 257 HB3 0.00 0.09 0.16 -0.04 1.80 2.01 2j66A1 ARG 257 HG2 0.03 -0.10 -0.02 -0.04 1.67 1.55 2j66A1 ARG 257 HG3 0.06 -0.02 -0.07 -0.04 1.67 1.59 2j66A1 ARG 257 HD2 0.17 0.16 0.06 -0.04 3.22 3.57 2j66A1 ARG 257 HD3 0.15 -0.06 0.01 -0.04 3.22 3.28 2j66A1 ASP 258 H 0.00 0.56 -0.21 -0.55 8.40 8.21 2j66A1 ASP 258 HA 0.00 0.06 0.42 -0.75 4.63 4.36 2j66A1 ASP 258 HB2 -0.01 0.05 0.08 -0.04 2.71 2.78 2j66A1 ASP 258 HB3 -0.01 -0.09 0.13 -0.04 2.70 2.69 2j66A1 THR 259 H 0.02 0.24 -0.78 -0.55 8.28 7.22 2j66A1 THR 259 HA -0.04 0.21 1.06 -0.75 4.39 4.86 2j66A1 THR 259 HB -0.05 -0.05 0.07 -0.04 4.32 4.25 2j66A1 THR 259 HG23 -0.02 0.00 -0.14 -0.04 1.22 1.03 2j66A1 ARG 260 H -0.08 0.09 0.18 -0.55 8.46 8.10 2j66A1 ARG 260 HA -0.37 0.19 0.75 -0.75 4.34 4.17 2j66A1 ARG 260 HB2 -0.52 -0.04 0.11 -0.04 1.90 1.41 2j66A1 ARG 260 HB3 -1.17 0.00 0.04 -0.04 1.80 0.64 2j66A1 ARG 260 HG2 -0.22 -0.05 -0.04 -0.04 1.67 1.33 2j66A1 ARG 260 HG3 -0.33 -0.03 0.00 -0.04 1.67 1.28 2j66A1 ARG 260 HD2 -1.21 0.00 0.01 -0.04 3.22 1.98 2j66A1 ARG 260 HD3 -0.43 0.10 -0.01 -0.04 3.22 2.84 2j66A1 PHE 261 H 0.09 0.57 -0.03 -0.55 8.34 8.42 2j66A1 PHE 261 HA -0.03 0.20 0.91 -0.75 4.62 4.95 2j66A1 PHE 261 HB2 0.18 -0.01 -0.11 -0.04 3.15 3.17 2j66A1 PHE 261 HB3 0.05 -0.00 0.07 -0.04 3.06 3.13 2j66A1 PHE 261 HD2 -0.00 0.11 -0.04 -0.04 7.28 7.31 2j66A1 PHE 261 HE2 0.02 -0.10 -0.03 -0.04 7.38 7.23 2j66A1 PHE 261 HZ 0.06 0.03 -0.50 -0.04 7.32 6.87 2j66A1 PRO 262 HA 0.07 0.17 0.49 -0.51 4.44 4.66 2j66A1 PRO 262 HB2 0.01 -0.05 -0.01 -0.04 2.28 2.20 2j66A1 PRO 262 HB3 0.00 0.12 0.07 -0.04 2.02 2.17 2j66A1 PRO 262 HG2 -0.01 -0.05 -0.01 -0.04 2.03 1.92 2j66A1 PRO 262 HG3 -0.04 0.03 -0.02 -0.04 2.03 1.96 2j66A1 PRO 262 HD2 -0.10 0.24 -0.20 -0.04 3.68 3.58 2j66A1 PRO 262 HD3 -0.08 0.22 -0.39 -0.04 3.65 3.36 2j66A1 GLN 263 H 0.06 0.09 -0.29 -0.55 8.47 7.77 2j66A1 GLN 263 HA 0.05 0.24 0.91 -0.75 4.36 4.81 2j66A1 GLN 263 HB2 0.03 -0.00 0.02 -0.04 2.15 2.15 2j66A1 GLN 263 HB3 0.03 -0.01 0.16 -0.04 2.02 2.16 2j66A1 GLN 263 HG2 0.02 0.11 -0.20 -0.04 2.40 2.29 2j66A1 GLN 263 HG3 0.01 -0.05 -0.21 -0.04 2.39 2.10 2j66A1 GLN 263 HE21 0.01 -0.04 -0.01 -0.04 6.97 6.88 2j66A1 GLN 263 HE22 0.01 0.02 -0.04 -0.04 7.69 7.65 2j66A1 THR 264 H 0.13 0.28 -0.23 -0.55 8.28 7.90 2j66A1 THR 264 HA -0.02 0.23 0.68 -0.75 4.39 4.53 2j66A1 THR 264 HB 0.03 0.02 0.04 -0.04 4.32 4.37 2j66A1 THR 264 HG23 -0.63 -0.05 -0.47 -0.04 1.22 0.02 2j66A1 THR 265 H -0.08 0.70 0.40 -0.55 8.28 8.75 2j66A1 THR 265 HA 0.03 0.21 0.77 -0.75 4.39 4.65 2j66A1 THR 265 HB 0.02 -0.05 0.22 -0.04 4.32 4.47 2j66A1 THR 265 HG23 -0.01 -0.02 -0.17 -0.04 1.22 0.98 2j66A1 PHE 266 H 0.21 0.61 0.34 -0.55 8.34 8.95 2j66A1 PHE 266 HA -0.06 0.19 0.95 -0.75 4.62 4.94 2j66A1 PHE 266 HB2 -0.06 0.07 0.02 -0.04 3.15 3.14 2j66A1 PHE 266 HB3 -0.07 -0.08 0.03 -0.04 3.06 2.90 2j66A1 PHE 266 HD2 -0.05 0.09 -0.03 -0.04 7.28 7.25 2j66A1 PHE 266 HE2 -0.10 0.04 -0.04 -0.04 7.38 7.23 2j66A1 PHE 266 HZ -0.25 -0.04 -0.06 -0.04 7.32 6.93 2j66A1 ILE 267 H -0.01 0.46 0.41 -0.55 8.25 8.57 2j66A1 ILE 267 HA -0.05 0.46 1.13 -0.75 4.18 4.97 2j66A1 ILE 267 HB -0.21 -0.17 0.05 -0.04 1.89 1.51 2j66A1 ILE 267 HG12 -0.10 0.15 -0.16 -0.04 1.49 1.33 2j66A1 ILE 267 HG13 -0.12 0.03 -0.54 -0.04 1.21 0.53 2j66A1 ILE 267 HG23 -0.25 -0.02 -0.31 -0.04 0.93 0.30 2j66A1 ILE 267 HD13 -0.64 -0.02 -0.22 -0.04 0.88 -0.04 2j66A1 ILE 268 H -0.13 0.65 0.22 -0.55 8.25 8.44 2j66A1 ILE 268 HA -0.04 0.18 0.84 -0.75 4.18 4.40 2j66A1 ILE 268 HB -0.41 0.02 0.00 -0.04 1.89 1.46 2j66A1 ILE 268 HG12 -0.01 0.03 -0.03 -0.04 1.49 1.44 2j66A1 ILE 268 HG13 -0.11 -0.01 -0.35 -0.04 1.21 0.69 2j66A1 ILE 268 HG23 -0.03 -0.00 -0.12 -0.04 0.93 0.74 2j66A1 ILE 268 HD13 0.03 -0.00 -0.11 -0.04 0.88 0.75 2j66A1 GLU 269 H -0.01 0.54 0.16 -0.55 8.60 8.74 2j66A1 GLU 269 HA 0.08 0.28 0.90 -0.75 4.29 4.80 2j66A1 GLU 269 HB2 0.02 -0.15 -0.10 -0.04 2.09 1.82 2j66A1 GLU 269 HB3 -0.03 -0.03 -0.08 -0.04 1.99 1.82 2j66A1 GLU 269 HG2 -0.10 0.09 -0.18 -0.04 2.34 2.11 2j66A1 GLU 269 HG3 -0.08 -0.03 -0.16 -0.04 2.34 2.03 2j66A1 SER 270 H 0.02 0.74 0.32 -0.55 8.46 8.99 2j66A1 SER 270 HA 0.00 -0.08 0.59 -0.75 4.49 4.24 2j66A1 SER 270 HB2 -0.07 0.16 -0.21 -0.04 3.95 3.79 2j66A1 SER 270 HB3 0.05 0.12 -0.08 -0.04 3.93 3.98 2j66A1 GLY 271 H 0.08 0.02 0.11 -0.55 8.43 8.10 2j66A1 GLY 271 HA2 -0.09 0.30 0.96 -0.51 4.01 4.66 2j66A1 GLY 271 HA3 -0.03 0.03 0.41 -0.51 4.01 3.92 2j66A1 ARG 272 H 0.19 0.09 0.17 -0.55 8.46 8.36 2j66A1 ARG 272 HA 0.13 0.09 0.33 -0.75 4.34 4.13 2j66A1 ARG 272 HB2 0.40 -0.02 0.14 -0.04 1.90 2.39 2j66A1 ARG 272 HB3 0.27 0.11 0.15 -0.04 1.80 2.28 2j66A1 ARG 272 HG2 0.21 0.01 -0.16 -0.04 1.67 1.69 2j66A1 ARG 272 HG3 0.35 0.07 0.02 -0.04 1.67 2.07 2j66A1 ARG 272 HD2 0.24 -0.04 0.06 -0.04 3.22 3.44 2j66A1 ARG 272 HD3 0.42 0.14 0.02 -0.04 3.22 3.76 2j66A1 TYR 273 H 0.31 0.05 -0.07 -0.55 8.29 8.03 2j66A1 TYR 273 HA 0.19 0.10 0.26 -0.75 4.56 4.35 2j66A1 TYR 273 HB2 0.29 0.10 -0.01 -0.04 3.06 3.40 2j66A1 TYR 273 HB3 0.20 -0.07 -0.02 -0.04 2.98 3.04 2j66A1 TYR 273 HD2 0.16 0.05 -0.16 -0.04 7.15 7.15 2j66A1 TYR 273 HE2 -0.05 0.03 -0.04 -0.04 6.85 6.76 2j66A1 LEU 274 H 0.17 0.01 -0.51 -0.55 8.37 7.49 2j66A1 LEU 274 HA 0.22 0.14 0.38 -0.75 4.35 4.34 2j66A1 LEU 274 HB2 -0.07 0.08 -0.09 -0.04 1.64 1.52 2j66A1 LEU 274 HB3 0.09 0.04 -0.05 -0.04 1.64 1.68 2j66A1 LEU 274 HG 0.10 -0.19 -0.18 -0.04 1.64 1.33 2j66A1 LEU 274 HD13 -0.29 0.05 -0.10 -0.04 0.93 0.56 2j66A1 LEU 274 HD23 0.22 0.03 -0.11 -0.04 0.89 0.99 2j66A1 LEU 275 H 0.10 0.21 -0.25 -0.55 8.37 7.88 2j66A1 LEU 275 HA 0.21 0.24 1.04 -0.75 4.35 5.09 2j66A1 LEU 275 HB2 0.07 0.01 -0.15 -0.04 1.64 1.53 2j66A1 LEU 275 HB3 0.17 0.09 -0.15 -0.04 1.64 1.70 2j66A1 LEU 275 HG 0.22 -0.04 -0.40 -0.04 1.64 1.38 2j66A1 LEU 275 HD13 0.07 -0.00 -0.12 -0.04 0.93 0.83 2j66A1 LEU 275 HD23 0.33 0.02 -0.05 -0.04 0.89 1.14 2j66A1 ALA 276 H 0.09 0.71 0.11 -0.55 8.40 8.76 2j66A1 ALA 276 HA 0.12 -0.15 0.24 -0.75 4.34 3.79 2j66A1 ALA 276 HB3 0.07 0.02 0.06 -0.04 1.41 1.53 2j66A1 GLN 277 H -0.04 0.20 -0.15 -0.55 8.47 7.94 2j66A1 GLN 277 HA -0.11 0.08 0.58 -0.75 4.36 4.15 2j66A1 GLN 277 HB2 -0.09 0.04 -0.00 -0.04 2.15 2.06 2j66A1 GLN 277 HB3 -0.26 0.02 0.13 -0.04 2.02 1.87 2j66A1 GLN 277 HG2 -0.15 0.09 0.02 -0.04 2.40 2.32 2j66A1 GLN 277 HG3 -0.13 -0.10 -0.00 -0.04 2.39 2.12 2j66A1 GLN 277 HE21 0.01 -0.03 0.03 -0.04 6.97 6.94 2j66A1 GLN 277 HE22 -0.09 0.08 0.02 -0.04 7.69 7.67 2j66A1 ALA 278 H 0.08 0.35 -0.57 -0.55 8.40 7.72 2j66A1 ALA 278 HA -0.09 0.11 0.60 -0.75 4.34 4.20 2j66A1 ALA 278 HB3 0.33 0.03 0.08 -0.04 1.41 1.82 2j66A1 ALA 279 H -0.02 0.23 -0.16 -0.55 8.40 7.90 2j66A1 ALA 279 HA -0.14 0.37 1.20 -0.75 4.34 5.02 2j66A1 ALA 279 HB3 -0.41 -0.03 -0.23 -0.04 1.41 0.70 2j66A1 VAL 280 H -0.12 0.54 0.35 -0.55 8.24 8.46 2j66A1 VAL 280 HA -0.09 0.31 0.92 -0.75 4.13 4.52 2j66A1 VAL 280 HB -0.09 -0.00 -0.12 -0.04 2.12 1.87 2j66A1 VAL 280 HG13 -0.04 0.01 -0.02 -0.04 0.97 0.88 2j66A1 VAL 280 HG23 -0.12 0.02 -0.31 -0.04 0.95 0.50 2j66A1 TYR 281 H -0.11 0.67 0.28 -0.55 8.29 8.58 2j66A1 TYR 281 HA -0.54 0.21 0.92 -0.75 4.56 4.39 2j66A1 TYR 281 HB2 -0.75 0.01 0.04 -0.04 3.06 2.32 2j66A1 TYR 281 HB3 -0.42 -0.02 0.23 -0.04 2.98 2.72 2j66A1 TYR 281 HD2 -0.86 0.00 -0.16 -0.04 7.15 6.09 2j66A1 TYR 281 HE2 -0.14 -0.00 -0.23 -0.04 6.85 6.44 2j66A1 VAL 282 H -0.63 0.73 0.33 -0.55 8.24 8.11 2j66A1 VAL 282 HA -0.42 0.20 0.92 -0.75 4.13 4.08 2j66A1 VAL 282 HB -1.48 -0.02 0.11 -0.04 2.12 0.69 2j66A1 VAL 282 HG13 -0.40 0.00 -0.20 -0.04 0.97 0.33 2j66A1 VAL 282 HG23 -0.20 0.01 -0.16 -0.04 0.95 0.56 2j66A1 THR 283 H -0.35 0.73 0.38 -0.55 8.28 8.50 2j66A1 THR 283 HA -0.38 0.11 0.97 -0.75 4.39 4.34 2j66A1 THR 283 HB -0.43 0.01 -0.16 -0.04 4.32 3.70 2j66A1 THR 283 HG23 -0.10 0.09 -0.06 -0.04 1.22 1.11 2j66A1 GLU 284 H -0.14 0.12 0.17 -0.55 8.60 8.20 2j66A1 GLU 284 HA -0.09 0.32 1.01 -0.75 4.29 4.77 2j66A1 GLU 284 HB2 -0.09 -0.00 0.02 -0.04 2.09 1.98 2j66A1 GLU 284 HB3 -0.07 -0.06 0.08 -0.04 1.99 1.90 2j66A1 GLU 284 HG2 -0.06 0.12 -0.24 -0.04 2.34 2.12 2j66A1 GLU 284 HG3 -0.05 0.19 -0.02 -0.04 2.34 2.42 2j66A1 VAL 285 H -0.04 0.82 0.22 -0.55 8.24 8.69 2j66A1 VAL 285 HA -0.03 0.05 0.48 -0.75 4.13 3.88 2j66A1 VAL 285 HB -0.01 -0.01 0.05 -0.04 2.12 2.11 2j66A1 VAL 285 HG13 -0.01 -0.02 -0.49 -0.04 0.97 0.41 2j66A1 VAL 285 HG23 0.00 0.00 -0.23 -0.04 0.95 0.68 2j66A1 LEU 286 H -0.06 0.82 0.51 -0.55 8.37 9.09 2j66A1 LEU 286 HA -0.27 0.12 0.86 -0.75 4.35 4.31 2j66A1 LEU 286 HB2 -0.14 0.05 0.03 -0.04 1.64 1.54 2j66A1 LEU 286 HB3 -0.69 -0.04 -0.02 -0.04 1.64 0.85 2j66A1 LEU 286 HG -0.07 0.01 -0.13 -0.04 1.64 1.41 2j66A1 LEU 286 HD13 0.01 0.01 -0.11 -0.04 0.93 0.80 2j66A1 LEU 286 HD23 -0.12 0.00 -0.10 -0.04 0.89 0.63 2j66A1 TYR 287 H 0.01 0.38 0.31 -0.55 8.29 8.44 2j66A1 TYR 287 HA 0.03 0.18 0.83 -0.75 4.56 4.85 2j66A1 TYR 287 HB2 0.02 -0.04 -0.01 -0.04 3.06 2.99 2j66A1 TYR 287 HB3 0.02 0.01 0.04 -0.04 2.98 3.02 2j66A1 TYR 287 HD2 0.02 -0.01 -0.02 -0.04 7.15 7.10 2j66A1 TYR 287 HE2 0.01 -0.01 -0.03 -0.04 6.85 6.78 2j66A1 ARG 288 H 0.18 0.27 0.22 -0.55 8.46 8.57 2j66A1 ARG 288 HA 0.08 0.27 1.04 -0.75 4.34 4.97 2j66A1 ARG 288 HB2 0.03 0.01 -0.05 -0.04 1.90 1.86 2j66A1 ARG 288 HB3 0.11 -0.05 0.14 -0.04 1.80 1.96 2j66A1 ARG 288 HG2 0.02 -0.02 -0.16 -0.04 1.67 1.47 2j66A1 ARG 288 HG3 -0.08 0.05 0.05 -0.04 1.67 1.65 2j66A1 ARG 288 HD2 -0.05 0.03 0.05 -0.04 3.22 3.21 2j66A1 ARG 288 HD3 0.13 -0.08 -0.04 -0.04 3.22 3.19 2j66A1 LYS 289 H 0.10 0.70 0.40 -0.55 8.42 9.07 2j66A1 LYS 289 HA 0.07 0.13 0.78 -0.75 4.32 4.54 2j66A1 LYS 289 HB2 0.04 0.02 0.13 -0.04 1.87 2.02 2j66A1 LYS 289 HB3 0.05 0.02 -0.22 -0.04 1.79 1.60 2j66A1 LYS 289 HG2 0.11 0.02 -0.08 -0.04 1.46 1.47 2j66A1 LYS 289 HG3 0.12 -0.03 -0.39 -0.04 1.46 1.12 2j66A1 LYS 289 HD2 -0.11 -0.02 -0.14 -0.04 1.69 1.39 2j66A1 LYS 289 HD3 -0.03 0.02 -0.09 -0.04 1.68 1.54 2j66A1 LYS 289 HE2 -0.03 0.01 -0.12 -0.04 2.99 2.81 2j66A1 LYS 289 HE3 0.00 -0.01 -0.17 -0.04 2.99 2.78 2j66A1 ALA 290 H 0.06 0.19 0.24 -0.55 8.40 8.35 2j66A1 ALA 290 HA 0.09 0.35 1.08 -0.75 4.34 5.11 2j66A1 ALA 290 HB3 0.04 -0.02 0.05 -0.04 1.41 1.44 2j66A1 SER 291 H 0.16 0.78 0.21 -0.55 8.46 9.06 2j66A1 SER 291 HA 0.06 0.08 0.70 -0.75 4.49 4.57 2j66A1 SER 291 HB2 0.03 0.07 -0.18 -0.04 3.95 3.82 2j66A1 SER 291 HB3 0.27 0.01 -0.02 -0.04 3.93 4.14 2j66A1 LYS 292 H 0.04 0.17 0.11 -0.55 8.42 8.18 2j66A1 LYS 292 HA 0.03 0.03 0.35 -0.75 4.32 3.98 2j66A1 LYS 292 HB2 0.07 0.09 -0.27 -0.04 1.87 1.73 2j66A1 LYS 292 HB3 0.04 0.04 0.25 -0.04 1.79 2.07 2j66A1 LYS 292 HG2 0.03 0.03 -0.00 -0.04 1.46 1.48 2j66A1 LYS 292 HG3 0.02 0.01 0.06 -0.04 1.46 1.52 2j66A1 LYS 292 HD2 0.02 -0.03 0.08 -0.04 1.69 1.72 2j66A1 LYS 292 HD3 0.02 -0.01 -0.10 -0.04 1.68 1.55 2j66A1 LYS 292 HE2 0.00 0.02 -0.01 -0.04 2.99 2.96 2j66A1 LYS 292 HE3 0.01 0.01 0.01 -0.04 2.99 2.98 2j66A1 GLY 293 H 0.03 0.04 -0.22 -0.55 8.43 7.73 2j66A1 GLY 293 HA2 0.01 -0.02 0.29 -0.51 4.01 3.78 2j66A1 GLY 293 HA3 0.01 0.12 0.48 -0.51 4.01 4.11 2j66A1 GLU 294 H 0.06 0.47 -0.41 -0.55 8.60 8.18 2j66A1 GLU 294 HA -0.08 0.22 0.94 -0.75 4.29 4.62 2j66A1 GLU 294 HB2 0.02 0.05 0.01 -0.04 2.09 2.13 2j66A1 GLU 294 HB3 -0.30 -0.02 0.08 -0.04 1.99 1.71 2j66A1 GLU 294 HG2 -0.05 0.02 -0.11 -0.04 2.34 2.16 2j66A1 GLU 294 HG3 0.02 0.13 -0.08 -0.04 2.34 2.37 2j66A1 VAL 295 H -0.22 0.26 0.25 -0.55 8.24 7.98 2j66A1 VAL 295 HA 0.00 0.24 1.18 -0.75 4.13 4.79 2j66A1 VAL 295 HB -0.15 0.10 0.22 -0.04 2.12 2.26 2j66A1 VAL 295 HG13 -0.08 -0.00 -0.12 -0.04 0.97 0.73 2j66A1 VAL 295 HG23 -0.05 -0.01 -0.09 -0.04 0.95 0.75 2j66A1 PHE 296 H 0.17 0.84 0.42 -0.55 8.34 9.21 2j66A1 PHE 296 HA -0.02 0.24 1.12 -0.75 4.62 5.21 2j66A1 PHE 296 HB2 -0.00 -0.04 0.03 -0.04 3.15 3.10 2j66A1 PHE 296 HB3 0.01 0.04 -0.06 -0.04 3.06 3.00 2j66A1 PHE 296 HD2 -0.00 0.02 -0.17 -0.04 7.28 7.08 2j66A1 PHE 296 HE2 -0.00 0.03 -0.09 -0.04 7.38 7.28 2j66A1 PHE 296 HZ -0.00 -0.01 -0.07 -0.04 7.32 7.20 2j66A1 VAL 297 H 0.08 0.71 0.42 -0.55 8.24 8.90 2j66A1 VAL 297 HA 0.06 0.23 1.06 -0.75 4.13 4.72 2j66A1 VAL 297 HB 0.00 -0.05 0.09 -0.04 2.12 2.13 2j66A1 VAL 297 HG13 0.00 -0.00 -0.24 -0.04 0.97 0.69 2j66A1 VAL 297 HG23 -0.08 -0.00 -0.16 -0.04 0.95 0.66 2j66A1 ILE 298 H 0.10 0.67 0.29 -0.55 8.25 8.77 2j66A1 ILE 298 HA 0.09 0.38 1.05 -0.75 4.18 4.94 2j66A1 ILE 298 HB 0.21 -0.18 0.16 -0.04 1.89 2.04 2j66A1 ILE 298 HG12 0.08 0.02 -0.10 -0.04 1.49 1.44 2j66A1 ILE 298 HG13 0.10 0.03 -0.19 -0.04 1.21 1.11 2j66A1 ILE 298 HG23 0.11 0.07 -0.21 -0.04 0.93 0.87 2j66A1 ILE 298 HD13 0.13 -0.05 -0.25 -0.04 0.88 0.67 2j66A1 VAL 299 H 0.05 0.71 0.37 -0.55 8.24 8.82 2j66A1 VAL 299 HA -0.01 0.17 0.98 -0.75 4.13 4.51 2j66A1 VAL 299 HB -0.03 -0.14 -0.07 -0.04 2.12 1.85 2j66A1 VAL 299 HG13 0.02 -0.00 -0.30 -0.04 0.97 0.64 2j66A1 VAL 299 HG23 0.05 0.08 -0.09 -0.04 0.95 0.94 2j66A1 ASP 300 H -0.05 0.35 0.24 -0.55 8.40 8.40 2j66A1 ASP 300 HA -0.00 0.18 0.70 -0.75 4.63 4.76 2j66A1 ASP 300 HB2 0.01 0.07 0.17 -0.04 2.71 2.92 2j66A1 ASP 300 HB3 -0.02 0.02 0.07 -0.04 2.70 2.73 2j66A1 GLY 301 H 0.01 0.08 -0.26 -0.55 8.43 7.71 2j66A1 GLY 301 HA2 0.07 0.26 0.88 -0.51 4.01 4.70 2j66A1 GLY 301 HA3 0.09 0.00 0.23 -0.51 4.01 3.82 2j66A1 GLY 302 H -0.04 0.20 0.08 -0.55 8.43 8.12 2j66A1 GLY 302 HA2 0.13 0.18 0.26 -0.51 4.01 4.07 2j66A1 GLY 302 HA3 0.14 0.01 0.41 -0.51 4.01 4.07 2j66A1 MET 303 H 0.14 0.18 0.05 -0.55 8.47 8.28 2j66A1 MET 303 HA 0.06 0.18 0.04 -0.75 4.52 4.05 2j66A1 MET 303 HB2 0.10 0.07 0.05 -0.04 2.15 2.32 2j66A1 MET 303 HB3 0.17 -0.04 -0.01 -0.04 2.03 2.11 2j66A1 MET 303 HG2 0.08 -0.00 -0.20 -0.04 2.63 2.46 2j66A1 MET 303 HG3 0.03 0.07 0.03 -0.04 2.56 2.66 2j66A1 MET 303 HE3 0.17 -0.01 -0.12 -0.04 2.10 2.09 2j66A1 HIS 304 H 0.54 0.06 -0.37 -0.55 8.41 8.09 2j66A1 HIS 304 HA 0.12 0.11 0.23 -0.75 4.63 4.33 2j66A1 HIS 304 HB2 0.15 0.15 -0.05 -0.04 3.26 3.46 2j66A1 HIS 304 HB3 0.13 0.00 -0.01 -0.04 3.20 3.29 2j66A1 HIS 304 HD2 -0.07 0.17 -0.21 -0.04 6.97 6.82 2j66A1 HIS 304 HE1 -0.29 -0.03 -0.23 -0.04 7.75 7.16 2j66A1 HIS 305 H -0.21 0.31 -0.40 -0.55 8.41 7.56 2j66A1 HIS 305 HA 0.01 0.21 0.86 -0.75 4.63 4.96 2j66A1 HIS 305 HB2 -0.22 -0.06 0.03 -0.04 3.26 2.97 2j66A1 HIS 305 HB3 -0.02 -0.04 -0.06 -0.04 3.20 3.04 2j66A1 HIS 305 HD2 -0.01 0.17 -0.38 -0.04 6.97 6.71 2j66A1 HIS 305 HE1 0.14 0.12 -0.03 -0.04 7.75 7.94 2j66A1 HIS 306 H -0.01 0.49 -0.08 -0.55 8.41 8.26 2j66A1 HIS 306 HA 0.03 0.14 0.61 -0.75 4.63 4.66 2j66A1 HIS 306 HB2 -0.76 0.00 -0.25 -0.04 3.26 2.21 2j66A1 HIS 306 HB3 -0.34 -0.00 0.03 -0.04 3.20 2.85 2j66A1 HIS 306 HD2 0.16 -0.06 0.06 -0.04 6.97 7.08 2j66A1 HIS 306 HE1 0.03 0.15 -0.07 -0.04 7.75 7.82 2j66A1 ALA 307 H 0.02 0.25 -0.13 -0.55 8.40 8.00 2j66A1 ALA 307 HA -0.01 -0.00 0.44 -0.75 4.34 4.00 2j66A1 ALA 307 HB3 -0.08 0.05 0.06 -0.04 1.41 1.40 2j66A1 ALA 308 H -0.10 0.11 -0.20 -0.55 8.40 7.66 2j66A1 ALA 308 HA 0.07 0.02 0.35 -0.75 4.34 4.03 2j66A1 ALA 308 HB3 -0.21 0.02 0.09 -0.04 1.41 1.27 2j66A1 SER 309 H -0.45 0.14 -0.47 -0.55 8.46 7.13 2j66A1 SER 309 HA 0.04 0.11 0.37 -0.75 4.49 4.25 2j66A1 SER 309 HB2 0.16 0.05 0.09 -0.04 3.95 4.21 2j66A1 SER 309 HB3 0.34 -0.03 0.02 -0.04 3.93 4.21 2j66A1 MET 322 H -0.00 0.21 0.19 -0.55 8.47 8.33 2j66A1 MET 322 HA -0.14 0.22 1.07 -0.75 4.52 4.91 2j66A1 MET 322 HB2 -0.09 -0.06 -0.02 -0.04 2.15 1.94 2j66A1 MET 322 HB3 -0.43 0.00 -0.04 -0.04 2.03 1.53 2j66A1 MET 322 HG2 -0.04 0.03 -0.10 -0.04 2.63 2.48 2j66A1 MET 322 HG3 0.04 -0.01 -0.46 -0.04 2.56 2.08 2j66A1 MET 322 HE3 0.14 -0.00 -0.15 -0.04 2.10 2.04 2j66A1 GLU 323 H -0.33 0.65 0.38 -0.55 8.60 8.75 2j66A1 GLU 323 HA -0.24 0.18 0.94 -0.75 4.29 4.41 2j66A1 GLU 323 HB2 -0.15 -0.03 0.06 -0.04 2.09 1.93 2j66A1 GLU 323 HB3 -0.10 0.00 -0.04 -0.04 1.99 1.81 2j66A1 GLU 323 HG2 -0.05 0.07 0.03 -0.04 2.34 2.34 2j66A1 GLU 323 HG3 -0.09 -0.01 -0.20 -0.04 2.34 1.99 2j66A1 TYR 324 H 0.06 0.20 0.18 -0.55 8.29 8.17 2j66A1 TYR 324 HA -0.03 0.31 1.17 -0.75 4.56 5.25 2j66A1 TYR 324 HB2 -0.01 -0.01 0.02 -0.04 3.06 3.02 2j66A1 TYR 324 HB3 -0.02 0.07 -0.05 -0.04 2.98 2.93 2j66A1 TYR 324 HD2 -0.01 0.00 -0.06 -0.04 7.15 7.03 2j66A1 TYR 324 HE2 0.00 0.03 -0.13 -0.04 6.85 6.71 2j66A1 ILE 325 H 0.05 0.71 0.31 -0.55 8.25 8.77 2j66A1 ILE 325 HA 0.04 0.20 1.01 -0.75 4.18 4.68 2j66A1 ILE 325 HB -0.01 0.00 0.18 -0.04 1.89 2.02 2j66A1 ILE 325 HG12 -0.02 -0.03 -0.04 -0.04 1.49 1.36 2j66A1 ILE 325 HG13 -0.00 0.01 -0.09 -0.04 1.21 1.09 2j66A1 ILE 325 HG23 0.01 -0.01 -0.12 -0.04 0.93 0.77 2j66A1 ILE 325 HD13 -0.05 -0.07 -0.42 -0.04 0.88 0.30 2j66A1 PRO 326 HA 0.05 0.13 0.32 -0.51 4.44 4.43 2j66A1 PRO 326 HB2 0.03 0.00 0.08 -0.04 2.28 2.35 2j66A1 PRO 326 HB3 0.05 0.07 0.07 -0.04 2.02 2.16 2j66A1 PRO 326 HG2 0.04 0.03 0.06 -0.04 2.03 2.11 2j66A1 PRO 326 HG3 0.05 0.09 -0.00 -0.04 2.03 2.13 2j66A1 PRO 326 HD2 0.03 0.05 0.17 -0.04 3.68 3.89 2j66A1 PRO 326 HD3 0.05 0.30 0.19 -0.04 3.65 4.15 2j66A1 LEU 336 HA -0.04 -0.06 -0.13 -0.75 4.35 3.36 2j66A1 LEU 336 HB2 0.01 -0.03 -0.04 -0.04 1.64 1.54 2j66A1 LEU 336 HB3 0.03 0.01 -0.21 -0.04 1.64 1.42 2j66A1 LEU 336 HG -0.00 0.00 -0.14 -0.04 1.64 1.46 2j66A1 LEU 336 HD13 0.00 -0.01 0.00 -0.04 0.93 0.88 2j66A1 LEU 336 HD23 0.01 0.00 -0.06 -0.04 0.89 0.80 2j66A1 GLU 337 H -0.07 0.42 0.08 -0.55 8.60 8.49 2j66A1 GLU 337 HA -0.05 0.09 0.62 -0.75 4.29 4.20 2j66A1 GLU 337 HB2 -0.10 0.02 0.03 -0.04 2.09 2.00 2j66A1 GLU 337 HB3 -0.06 0.07 -0.09 -0.04 1.99 1.87 2j66A1 GLU 337 HG2 -0.11 -0.06 -0.14 -0.04 2.34 1.99 2j66A1 GLU 337 HG3 -0.15 0.05 -0.21 -0.04 2.34 1.99 2j66A1 LYS 338 H -0.15 0.14 0.15 -0.55 8.42 8.00 2j66A1 LYS 338 HA -0.56 0.22 0.55 -0.75 4.32 3.78 2j66A1 LYS 338 HB2 -0.32 -0.01 0.05 -0.04 1.87 1.55 2j66A1 LYS 338 HB3 -0.19 -0.03 0.17 -0.04 1.79 1.70 2j66A1 LYS 338 HG2 -0.25 -0.04 -0.18 -0.04 1.46 0.94 2j66A1 LYS 338 HG3 -0.42 0.11 -0.10 -0.04 1.46 1.01 2j66A1 LYS 338 HD2 -0.09 0.00 -0.01 -0.04 1.69 1.55 2j66A1 LYS 338 HD3 -0.08 -0.00 0.00 -0.04 1.68 1.56 2j66A1 LYS 338 HE2 -0.11 0.00 0.05 -0.04 2.99 2.89 2j66A1 LYS 338 HE3 -0.14 -0.05 -0.03 -0.04 2.99 2.73 2j66A1 VAL 339 H -0.25 0.71 0.27 -0.55 8.24 8.43 2j66A1 VAL 339 HA -0.24 0.17 0.86 -0.75 4.13 4.16 2j66A1 VAL 339 HB -0.18 0.00 -0.35 -0.04 2.12 1.55 2j66A1 VAL 339 HG13 -0.16 0.03 -0.21 -0.04 0.97 0.58 2j66A1 VAL 339 HG23 -0.14 0.01 -0.20 -0.04 0.95 0.57 2j66A1 THR 340 H -0.33 0.61 0.40 -0.55 8.28 8.41 2j66A1 THR 340 HA -0.10 0.20 1.14 -0.75 4.39 4.88 2j66A1 THR 340 HB -0.69 0.03 0.24 -0.04 4.32 3.86 2j66A1 THR 340 HG23 0.12 0.01 -0.10 -0.04 1.22 1.22 2j66A1 ILE 341 H 0.02 0.68 0.36 -0.55 8.25 8.77 2j66A1 ILE 341 HA 0.06 0.26 1.03 -0.75 4.18 4.77 2j66A1 ILE 341 HB 0.08 -0.13 0.16 -0.04 1.89 1.96 2j66A1 ILE 341 HG12 0.03 0.01 -0.12 -0.04 1.49 1.37 2j66A1 ILE 341 HG13 0.12 0.01 -0.12 -0.04 1.21 1.18 2j66A1 ILE 341 HG23 0.08 0.01 -0.14 -0.04 0.93 0.83 2j66A1 ILE 341 HD13 -0.01 0.01 -0.23 -0.04 0.88 0.61 2j66A1 ALA 342 H 0.11 0.76 0.46 -0.55 8.40 9.18 2j66A1 ALA 342 HA 0.10 0.09 1.22 -0.75 4.34 4.98 2j66A1 ALA 342 HB3 0.12 0.01 0.06 -0.04 1.41 1.55 2j66A1 GLY 343 H 0.07 0.57 0.31 -0.55 8.43 8.83 2j66A1 GLY 343 HA2 0.06 0.22 0.69 -0.51 4.01 4.48 2j66A1 GLY 343 HA3 0.07 -0.16 0.40 -0.51 4.01 3.82 2j66A1 PRO 344 HA 0.01 0.15 0.55 -0.51 4.44 4.63 2j66A1 PRO 344 HB2 -0.09 -0.01 0.05 -0.04 2.28 2.20 2j66A1 PRO 344 HB3 -0.01 0.08 0.06 -0.04 2.02 2.11 2j66A1 PRO 344 HG2 -0.43 -0.05 -0.17 -0.04 2.03 1.34 2j66A1 PRO 344 HG3 -0.16 0.19 -0.16 -0.04 2.03 1.86 2j66A1 PRO 344 HD2 0.05 -0.12 -0.19 -0.04 3.68 3.38 2j66A1 PRO 344 HD3 0.02 0.30 -0.08 -0.04 3.65 3.86 2j66A1 LEU 345 H -0.05 -0.03 -0.30 -0.55 8.37 7.45 2j66A1 LEU 345 HA -0.08 0.15 0.48 -0.75 4.35 4.15 2j66A1 LEU 345 HB2 0.02 -0.03 -0.02 -0.04 1.64 1.57 2j66A1 LEU 345 HB3 -0.07 -0.00 -0.06 -0.04 1.64 1.47 2j66A1 LEU 345 HG -0.09 -0.09 -0.05 -0.04 1.64 1.37 2j66A1 LEU 345 HD13 0.17 -0.03 -0.09 -0.04 0.93 0.93 2j66A1 LEU 345 HD23 -0.56 0.04 -0.15 -0.04 0.89 0.19 2j66A1 CYS 346 H -0.10 0.14 0.06 -0.55 8.50 8.05 2j66A1 CYS 346 HA -0.03 0.18 0.57 -0.75 4.58 4.55 2j66A1 CYS 346 HB2 -0.09 -0.04 0.20 -0.04 2.97 3.00 2j66A1 CYS 346 HB3 -0.04 -0.01 0.16 -0.04 2.97 3.04 2j66A1 THR 347 H 0.01 0.62 -0.27 -0.55 8.28 8.09 2j66A1 THR 347 HA 0.04 0.16 0.49 -0.75 4.39 4.32 2j66A1 THR 347 HB 0.14 0.17 -0.08 -0.04 4.32 4.51 2j66A1 THR 347 HG23 0.16 -0.06 -0.22 -0.04 1.22 1.06 2j66A1 PRO 348 HA 0.03 0.15 0.38 -0.51 4.44 4.49 2j66A1 PRO 348 HB2 0.03 0.05 0.00 -0.04 2.28 2.33 2j66A1 PRO 348 HB3 0.01 0.04 0.07 -0.04 2.02 2.09 2j66A1 PRO 348 HG2 0.03 0.03 -0.01 -0.04 2.03 2.04 2j66A1 PRO 348 HG3 0.02 0.06 0.03 -0.04 2.03 2.10 2j66A1 PRO 348 HD2 0.04 0.10 0.19 -0.04 3.68 3.97 2j66A1 PRO 348 HD3 0.01 0.16 0.10 -0.04 3.65 3.89 2j66A1 GLU 349 H 0.06 0.02 -0.52 -0.55 8.60 7.62 2j66A1 GLU 349 HA 0.04 0.14 0.41 -0.75 4.29 4.13 2j66A1 GLU 349 HB2 0.07 -0.03 -0.07 -0.04 2.09 2.02 2j66A1 GLU 349 HB3 0.03 0.05 0.05 -0.04 1.99 2.09 2j66A1 GLU 349 HG2 0.04 -0.07 -0.02 -0.04 2.34 2.25 2j66A1 GLU 349 HG3 0.02 0.02 -0.01 -0.04 2.34 2.33 2j66A1 ASP 350 H 0.07 0.42 -0.43 -0.55 8.40 7.91 2j66A1 ASP 350 HA 0.08 0.06 0.55 -0.75 4.63 4.57 2j66A1 ASP 350 HB2 0.08 -0.05 0.04 -0.04 2.71 2.75 2j66A1 ASP 350 HB3 0.06 0.23 0.20 -0.04 2.70 3.14 2j66A1 CYS 351 H 0.07 0.59 -0.04 -0.55 8.50 8.57 2j66A1 CYS 351 HA 0.09 0.12 1.06 -0.75 4.58 5.10 2j66A1 CYS 351 HB2 0.08 0.08 -0.15 -0.04 2.97 2.94 2j66A1 CYS 351 HB3 0.06 0.04 0.04 -0.04 2.97 3.08 2j66A1 LEU 352 H 0.09 0.47 0.27 -0.55 8.37 8.65 2j66A1 LEU 352 HA 0.09 0.20 0.62 -0.75 4.35 4.50 2j66A1 LEU 352 HB2 0.09 0.01 0.01 -0.04 1.64 1.70 2j66A1 LEU 352 HB3 0.10 -0.00 -0.06 -0.04 1.64 1.64 2j66A1 LEU 352 HG 0.13 -0.01 -0.13 -0.04 1.64 1.59 2j66A1 LEU 352 HD13 0.10 -0.01 -0.23 -0.04 0.93 0.75 2j66A1 LEU 352 HD23 0.11 -0.01 -0.18 -0.04 0.89 0.76 2j66A1 GLY 353 H 0.07 0.33 0.14 -0.55 8.43 8.43 2j66A1 GLY 353 HA2 0.07 0.17 0.62 -0.51 4.01 4.37 2j66A1 GLY 353 HA3 0.08 0.01 0.30 -0.51 4.01 3.88 2j66A1 LYS 354 H 0.03 0.26 0.11 -0.55 8.42 8.27 2j66A1 LYS 354 HA -0.02 0.08 1.04 -0.75 4.32 4.67 2j66A1 LYS 354 HB2 0.03 0.03 -0.01 -0.04 1.87 1.87 2j66A1 LYS 354 HB3 0.01 0.03 0.10 -0.04 1.79 1.89 2j66A1 LYS 354 HG2 -0.01 0.02 -0.16 -0.04 1.46 1.27 2j66A1 LYS 354 HG3 0.00 -0.03 0.03 -0.04 1.46 1.43 2j66A1 LYS 354 HD2 0.03 0.03 -0.03 -0.04 1.69 1.68 2j66A1 LYS 354 HD3 0.01 0.01 -0.04 -0.04 1.68 1.62 2j66A1 LYS 354 HE2 0.03 -0.01 -0.03 -0.04 2.99 2.94 2j66A1 LYS 354 HE3 0.01 -0.00 -0.04 -0.04 2.99 2.92 2j66A1 ASP 355 H -0.11 0.11 0.06 -0.55 8.40 7.92 2j66A1 ASP 355 HA -0.16 -0.01 0.22 -0.75 4.63 3.92 2j66A1 ASP 355 HB2 -0.02 0.15 -0.07 -0.04 2.71 2.73 2j66A1 ASP 355 HB3 -0.05 -0.02 0.17 -0.04 2.70 2.76 2j66A1 VAL 356 H -0.08 0.42 -0.08 -0.55 8.24 7.95 2j66A1 VAL 356 HA 0.07 0.13 0.67 -0.75 4.13 4.24 2j66A1 VAL 356 HB 0.06 0.02 -0.05 -0.04 2.12 2.11 2j66A1 VAL 356 HG13 0.06 -0.01 -0.18 -0.04 0.97 0.80 2j66A1 VAL 356 HG23 -0.03 0.05 -0.13 -0.04 0.95 0.79 2j66A1 HIS 357 H 0.20 0.16 0.15 -0.55 8.41 8.38 2j66A1 HIS 357 HA -0.07 0.40 0.91 -0.75 4.63 5.12 2j66A1 HIS 357 HB2 -0.02 -0.03 0.18 -0.04 3.26 3.35 2j66A1 HIS 357 HB3 -0.03 -0.01 -0.06 -0.04 3.20 3.06 2j66A1 HIS 357 HD2 -0.03 -0.01 -0.17 -0.04 6.97 6.72 2j66A1 HIS 357 HE1 -0.02 0.04 0.01 -0.04 7.75 7.73 2j66A1 VAL 358 H -0.13 0.59 0.25 -0.55 8.24 8.40 2j66A1 VAL 358 HA -0.12 0.13 0.70 -0.75 4.13 4.09 2j66A1 VAL 358 HB -0.40 0.01 -0.26 -0.04 2.12 1.43 2j66A1 VAL 358 HG13 -0.36 0.01 -0.25 -0.04 0.97 0.33 2j66A1 VAL 358 HG23 -1.09 0.04 -0.11 -0.04 0.95 -0.25 2j66A1 PRO 359 HA -0.06 0.11 0.49 -0.51 4.44 4.46 2j66A1 PRO 359 HB2 -0.05 0.01 -0.10 -0.04 2.28 2.09 2j66A1 PRO 359 HB3 -0.02 0.04 0.30 -0.04 2.02 2.30 2j66A1 PRO 359 HG2 -0.01 0.01 0.10 -0.04 2.03 2.09 2j66A1 PRO 359 HG3 -0.02 0.08 0.10 -0.04 2.03 2.14 2j66A1 PRO 359 HD2 -0.14 0.08 0.15 -0.04 3.68 3.73 2j66A1 PRO 359 HD3 -0.06 0.13 0.16 -0.04 3.65 3.84 2j66A1 ALA 360 H -0.06 0.12 0.17 -0.55 8.40 8.08 2j66A1 ALA 360 HA -0.22 -0.00 0.29 -0.75 4.34 3.65 2j66A1 ALA 360 HB3 -0.14 0.01 0.05 -0.04 1.41 1.29 2j66A1 LEU 361 H -0.31 0.09 0.08 -0.55 8.37 7.69 2j66A1 LEU 361 HA -0.12 0.13 0.70 -0.75 4.35 4.31 2j66A1 LEU 361 HB2 -0.16 -0.06 -0.01 -0.04 1.64 1.37 2j66A1 LEU 361 HB3 -0.07 -0.01 -0.14 -0.04 1.64 1.38 2j66A1 LEU 361 HG -0.23 0.22 -0.23 -0.04 1.64 1.36 2j66A1 LEU 361 HD13 -0.08 -0.02 -0.18 -0.04 0.93 0.60 2j66A1 LEU 361 HD23 0.02 -0.01 -0.20 -0.04 0.89 0.66 2j66A1 TYR 362 H 0.05 0.21 0.12 -0.55 8.29 8.12 2j66A1 TYR 362 HA 0.00 0.17 0.77 -0.75 4.56 4.75 2j66A1 TYR 362 HB2 -0.01 0.00 -0.03 -0.04 3.06 2.99 2j66A1 TYR 362 HB3 -0.00 0.07 0.03 -0.04 2.98 3.03 2j66A1 TYR 362 HD2 -0.00 0.02 -0.09 -0.04 7.15 7.04 2j66A1 TYR 362 HE2 -0.01 -0.01 -0.10 -0.04 6.85 6.69 2j66A1 PRO 363 HA -0.02 0.12 0.17 -0.51 4.44 4.20 2j66A1 PRO 363 HB2 0.02 -0.03 0.07 -0.04 2.28 2.29 2j66A1 PRO 363 HB3 -0.06 0.21 0.02 -0.04 2.02 2.14 2j66A1 PRO 363 HG2 0.07 0.01 0.06 -0.04 2.03 2.14 2j66A1 PRO 363 HG3 0.03 -0.04 -0.25 -0.04 2.03 1.74 2j66A1 PRO 363 HD2 0.19 0.09 0.15 -0.04 3.68 4.07 2j66A1 PRO 363 HD3 0.15 0.11 0.08 -0.04 3.65 3.95 2j66A1 GLY 364 H -0.03 0.58 0.31 -0.55 8.43 8.74 2j66A1 GLY 364 HA2 -0.02 -0.04 0.41 -0.51 4.01 3.86 2j66A1 GLY 364 HA3 0.00 0.14 0.83 -0.51 4.01 4.47 2j66A1 ASP 365 H 0.03 0.50 -0.12 -0.55 8.40 8.26 2j66A1 ASP 365 HA 0.02 0.22 0.55 -0.75 4.63 4.67 2j66A1 ASP 365 HB2 0.03 -0.05 0.08 -0.04 2.71 2.73 2j66A1 ASP 365 HB3 0.04 0.00 0.05 -0.04 2.70 2.76 2j66A1 LEU 366 H 0.01 0.56 0.39 -0.55 8.37 8.78 2j66A1 LEU 366 HA -0.07 0.25 1.14 -0.75 4.35 4.92 2j66A1 LEU 366 HB2 -0.05 -0.13 0.13 -0.04 1.64 1.56 2j66A1 LEU 366 HB3 -0.12 -0.01 -0.04 -0.04 1.64 1.43 2j66A1 LEU 366 HG -0.03 0.10 -0.07 -0.04 1.64 1.60 2j66A1 LEU 366 HD13 -0.04 -0.02 -0.11 -0.04 0.93 0.72 2j66A1 LEU 366 HD23 -0.09 0.01 -0.15 -0.04 0.89 0.62 2j66A1 VAL 367 H -0.10 0.81 0.35 -0.55 8.24 8.75 2j66A1 VAL 367 HA -0.07 0.18 0.95 -0.75 4.13 4.43 2j66A1 VAL 367 HB -0.04 -0.05 0.06 -0.04 2.12 2.04 2j66A1 VAL 367 HG13 -0.03 -0.00 -0.23 -0.04 0.97 0.67 2j66A1 VAL 367 HG23 0.14 -0.00 -0.22 -0.04 0.95 0.83 2j66A1 CYS 368 H -0.28 0.82 0.34 -0.55 8.50 8.83 2j66A1 CYS 368 HA -0.20 0.29 1.07 -0.75 4.58 4.99 2j66A1 CYS 368 HB2 -0.18 -0.06 0.14 -0.04 2.97 2.83 2j66A1 CYS 368 HB3 -0.14 -0.02 -0.11 -0.04 2.97 2.66 2j66A1 VAL 369 H -0.12 0.68 0.32 -0.55 8.24 8.57 2j66A1 VAL 369 HA -0.05 0.21 0.88 -0.75 4.13 4.41 2j66A1 VAL 369 HB -0.05 -0.15 0.23 -0.04 2.12 2.11 2j66A1 VAL 369 HG13 0.06 0.06 -0.09 -0.04 0.97 0.96 2j66A1 VAL 369 HG23 0.08 0.01 -0.09 -0.04 0.95 0.91 2j66A1 LEU 370 H -0.04 0.62 0.30 -0.55 8.37 8.70 2j66A1 LEU 370 HA -0.07 0.03 0.63 -0.75 4.35 4.18 2j66A1 LEU 370 HB2 -0.03 0.12 -0.01 -0.04 1.64 1.68 2j66A1 LEU 370 HB3 -0.07 -0.08 0.10 -0.04 1.64 1.55 2j66A1 LEU 370 HG -0.09 0.03 -0.15 -0.04 1.64 1.39 2j66A1 LEU 370 HD13 -0.06 -0.01 -0.13 -0.04 0.93 0.69 2j66A1 LEU 370 HD23 -0.09 -0.02 -0.13 -0.04 0.89 0.60 2j66A1 ASN 371 H -0.06 0.12 0.23 -0.55 8.53 8.27 2j66A1 ASN 371 HA -0.02 0.11 0.40 -0.75 4.76 4.50 2j66A1 ASN 371 HB2 0.12 0.20 -0.00 -0.04 2.88 3.16 2j66A1 ASN 371 HB3 -0.07 -0.13 0.07 -0.04 2.79 2.61 2j66A1 ASN 371 HD21 -0.11 -0.02 -0.01 -0.04 7.03 6.85 2j66A1 ASN 371 HD22 -0.07 0.10 -0.01 -0.04 7.74 7.71 2j66A1 SER 372 H 0.01 0.40 -0.10 -0.55 8.46 8.22 2j66A1 SER 372 HA 0.22 0.22 0.70 -0.75 4.49 4.88 2j66A1 SER 372 HB2 -0.02 -0.09 -0.25 -0.04 3.95 3.55 2j66A1 SER 372 HB3 -0.11 -0.10 0.03 -0.04 3.93 3.72 2j66A1 GLY 373 H 0.10 0.54 -0.08 -0.55 8.43 8.44 2j66A1 GLY 373 HA2 0.15 0.02 0.37 -0.51 4.01 4.04 2j66A1 GLY 373 HA3 0.16 0.27 0.21 -0.51 4.01 4.14 2j66A1 ALA 374 H 0.15 0.28 -0.27 -0.55 8.40 8.01 2j66A1 ALA 374 HA -0.11 0.32 0.86 -0.75 4.34 4.66 2j66A1 ALA 374 HB3 -0.01 -0.04 -0.09 -0.04 1.41 1.23 2j66A1 TYR 375 H -0.50 0.66 0.28 -0.55 8.29 8.19 2j66A1 TYR 375 HA -0.09 0.01 0.29 -0.75 4.56 4.02 2j66A1 TYR 375 HB2 -0.24 0.17 -0.05 -0.04 3.06 2.90 2j66A1 TYR 375 HB3 -0.91 0.03 0.16 -0.04 2.98 2.22 2j66A1 TYR 375 HD2 -0.19 0.09 -0.11 -0.04 7.15 6.91 2j66A1 TYR 375 HE2 -0.02 -0.09 -0.11 -0.04 6.85 6.59 2j66A1 GLY 376 H 0.05 0.01 -0.26 -0.55 8.43 7.68 2j66A1 GLY 376 HA2 0.35 0.19 0.79 -0.51 4.01 4.83 2j66A1 GLY 376 HA3 0.18 0.11 0.25 -0.51 4.01 4.05 2j66A1 LEU 377 H -0.23 0.13 0.12 -0.55 8.37 7.84 2j66A1 LEU 377 HA 0.12 0.38 0.45 -0.75 4.35 4.55 2j66A1 LEU 377 HB2 -0.24 0.06 0.16 -0.04 1.64 1.57 2j66A1 LEU 377 HB3 -0.10 -0.19 0.16 -0.04 1.64 1.47 2j66A1 LEU 377 HG 0.05 0.09 0.08 -0.04 1.64 1.81 2j66A1 LEU 377 HD13 0.01 0.01 -0.01 -0.04 0.93 0.89 2j66A1 LEU 377 HD23 0.02 -0.02 -0.28 -0.04 0.89 0.57 2j66A1 SER 378 H 0.01 0.00 -0.05 -0.55 8.46 7.88 2j66A1 SER 378 HA 0.04 0.18 0.46 -0.75 4.49 4.41 2j66A1 SER 378 HB2 0.04 0.04 0.10 -0.04 3.95 4.09 2j66A1 SER 378 HB3 0.01 -0.03 0.09 -0.04 3.93 3.95 2j66A1 PHE 379 H 0.22 0.25 -0.80 -0.55 8.34 7.47 2j66A1 PHE 379 HA 0.06 0.08 0.58 -0.75 4.62 4.59 2j66A1 PHE 379 HB2 0.15 -0.19 -0.14 -0.04 3.15 2.93 2j66A1 PHE 379 HB3 0.08 0.26 -0.33 -0.04 3.06 3.02 2j66A1 PHE 379 HD2 0.06 0.00 -0.02 -0.04 7.28 7.28 2j66A1 PHE 379 HE2 -0.02 -0.01 -0.02 -0.04 7.38 7.29 2j66A1 PHE 379 HZ -0.04 -0.01 -0.00 -0.04 7.32 7.22 2j66A1 SER 380 H 0.08 0.43 -0.25 -0.55 8.46 8.17 2j66A1 SER 380 HA -0.10 0.16 0.84 -0.75 4.49 4.63 2j66A1 SER 380 HB2 0.10 0.20 -0.20 -0.04 3.95 4.00 2j66A1 SER 380 HB3 0.07 0.19 -0.26 -0.04 3.93 3.88 2j66A1 PRO 381 HA -0.01 0.06 0.51 -0.51 4.44 4.49 2j66A1 PRO 381 HB2 0.04 -0.09 0.17 -0.04 2.28 2.36 2j66A1 PRO 381 HB3 -0.09 0.05 0.09 -0.04 2.02 2.02 2j66A1 PRO 381 HG2 0.16 -0.03 -0.00 -0.04 2.03 2.12 2j66A1 PRO 381 HG3 -0.04 0.01 -0.00 -0.04 2.03 1.96 2j66A1 PRO 381 HD2 0.02 0.35 0.14 -0.04 3.68 4.15 2j66A1 PRO 381 HD3 -0.09 0.13 0.14 -0.04 3.65 3.79 2j66A1 VAL 382 H 0.02 0.51 0.13 -0.55 8.24 8.35 2j66A1 VAL 382 HA 0.25 0.37 0.33 -0.75 4.13 4.32 2j66A1 VAL 382 HB 0.12 -0.04 0.04 -0.04 2.12 2.20 2j66A1 VAL 382 HG13 0.07 0.07 0.09 -0.04 0.97 1.15 2j66A1 VAL 382 HG23 -0.39 -0.02 0.02 -0.04 0.95 0.52 2j66A1 HIS 383 H 0.10 0.01 -0.34 -0.55 8.41 7.64 2j66A1 HIS 383 HA 0.15 0.29 0.77 -0.75 4.63 5.09 2j66A1 HIS 383 HB2 0.10 -0.02 -0.00 -0.04 3.26 3.30 2j66A1 HIS 383 HB3 0.09 -0.02 0.10 -0.04 3.20 3.33 2j66A1 HIS 383 HD2 0.06 0.00 -0.00 -0.04 6.97 6.99 2j66A1 HIS 383 HE1 0.07 -0.03 -0.11 -0.04 7.75 7.64 2j66A1 PHE 384 H 0.34 0.53 -0.18 -0.55 8.34 8.48 2j66A1 PHE 384 HA 0.07 -0.02 0.47 -0.75 4.62 4.39 2j66A1 PHE 384 HB2 0.06 -0.03 0.12 -0.04 3.15 3.26 2j66A1 PHE 384 HB3 0.08 0.06 0.13 -0.04 3.06 3.29 2j66A1 PHE 384 HD2 0.04 -0.02 -0.03 -0.04 7.28 7.22 2j66A1 PHE 384 HE2 0.01 -0.02 -0.06 -0.04 7.38 7.27 2j66A1 PHE 384 HZ 0.01 0.02 -0.05 -0.04 7.32 7.26 2j66A1 LEU 385 H -0.13 0.14 0.22 -0.55 8.37 8.06 2j66A1 LEU 385 HA -0.24 0.01 0.32 -0.75 4.35 3.69 2j66A1 LEU 385 HB2 -0.24 0.28 -0.03 -0.04 1.64 1.60 2j66A1 LEU 385 HB3 -0.14 0.03 0.17 -0.04 1.64 1.65 2j66A1 LEU 385 HG -0.35 0.04 0.05 -0.04 1.64 1.35 2j66A1 LEU 385 HD13 -1.58 0.01 -0.16 -0.04 0.93 -0.84 2j66A1 LEU 385 HD23 -0.24 0.06 0.03 -0.04 0.89 0.69 2j66A1 GLY 386 H 0.03 0.41 -0.40 -0.55 8.43 7.92 2j66A1 GLY 386 HA2 0.01 0.04 0.21 -0.51 4.01 3.76 2j66A1 GLY 386 HA3 -0.08 -0.03 0.25 -0.51 4.01 3.64 2j66A1 HIS 387 H 0.12 0.11 -0.41 -0.55 8.41 7.68 2j66A1 HIS 387 HA 0.05 0.10 0.54 -0.75 4.63 4.57 2j66A1 HIS 387 HB2 0.02 -0.04 -0.07 -0.04 3.26 3.13 2j66A1 HIS 387 HB3 0.15 0.11 -0.03 -0.04 3.20 3.39 2j66A1 HIS 387 HD2 0.01 0.02 0.00 -0.04 6.97 6.96 2j66A1 HIS 387 HE1 -0.20 -0.07 -0.09 -0.04 7.75 7.35 2j66A1 PRO 388 HA 0.18 -0.09 0.27 -0.51 4.44 4.29 2j66A1 PRO 388 HB2 0.19 0.04 0.03 -0.04 2.28 2.49 2j66A1 PRO 388 HB3 0.13 0.35 0.07 -0.04 2.02 2.52 2j66A1 PRO 388 HG2 0.12 0.01 0.07 -0.04 2.03 2.19 2j66A1 PRO 388 HG3 0.09 -0.04 -0.00 -0.04 2.03 2.04 2j66A1 PRO 388 HD2 0.24 0.11 0.17 -0.04 3.68 4.16 2j66A1 PRO 388 HD3 0.12 0.13 0.22 -0.04 3.65 4.07 2j66A1 THR 389 H 0.19 -0.07 0.19 -0.55 8.28 8.05 2j66A1 THR 389 HA 0.22 0.15 0.45 -0.75 4.39 4.47 2j66A1 THR 389 HB 0.06 0.08 0.06 -0.04 4.32 4.49 2j66A1 THR 389 HG23 0.19 0.01 0.04 -0.04 1.22 1.42 2j66A1 PRO 390 HA 0.05 0.17 0.60 -0.51 4.44 4.75 2j66A1 PRO 390 HB2 0.10 0.05 0.03 -0.04 2.28 2.43 2j66A1 PRO 390 HB3 -0.29 0.05 0.04 -0.04 2.02 1.78 2j66A1 PRO 390 HG2 0.08 -0.04 -0.02 -0.04 2.03 2.00 2j66A1 PRO 390 HG3 -0.16 -0.03 0.02 -0.04 2.03 1.81 2j66A1 PRO 390 HD2 -0.15 0.01 0.19 -0.04 3.68 3.69 2j66A1 PRO 390 HD3 -1.45 0.16 0.18 -0.04 3.65 2.50 2j66A1 ILE 391 H 0.13 0.28 0.24 -0.55 8.25 8.35 2j66A1 ILE 391 HA 0.06 0.26 0.43 -0.75 4.18 4.17 2j66A1 ILE 391 HB 0.10 0.08 0.12 -0.04 1.89 2.14 2j66A1 ILE 391 HG12 0.07 -0.09 0.11 -0.04 1.49 1.54 2j66A1 ILE 391 HG13 0.10 0.02 0.06 -0.04 1.21 1.36 2j66A1 ILE 391 HG23 -0.15 -0.02 -0.13 -0.04 0.93 0.59 2j66A1 ILE 391 HD13 0.17 0.03 0.08 -0.04 0.88 1.12 2j66A1 GLU 392 H 0.01 0.43 0.33 -0.55 8.60 8.82 2j66A1 GLU 392 HA 0.19 0.22 0.99 -0.75 4.29 4.94 2j66A1 GLU 392 HB2 0.06 -0.06 -0.01 -0.04 2.09 2.05 2j66A1 GLU 392 HB3 0.21 -0.03 -0.05 -0.04 1.99 2.08 2j66A1 GLU 392 HG2 0.28 0.02 -0.01 -0.04 2.34 2.59 2j66A1 GLU 392 HG3 0.12 0.15 -0.26 -0.04 2.34 2.31 2j66A1 ILE 393 H 0.06 0.79 0.39 -0.55 8.25 8.94 2j66A1 ILE 393 HA -0.19 0.20 1.15 -0.75 4.18 4.59 2j66A1 ILE 393 HB -0.30 -0.02 0.09 -0.04 1.89 1.62 2j66A1 ILE 393 HG12 -1.73 0.03 -0.15 -0.04 1.49 -0.40 2j66A1 ILE 393 HG13 -0.94 0.02 -0.24 -0.04 1.21 0.00 2j66A1 ILE 393 HG23 -0.23 -0.01 -0.23 -0.04 0.93 0.42 2j66A1 ILE 393 HD13 -0.67 -0.04 -0.31 -0.04 0.88 -0.18 2j66A1 LEU 394 H -0.03 0.79 0.36 -0.55 8.37 8.94 2j66A1 LEU 394 HA 0.14 0.15 1.09 -0.75 4.35 4.97 2j66A1 LEU 394 HB2 -0.03 -0.03 -0.05 -0.04 1.64 1.49 2j66A1 LEU 394 HB3 -0.04 0.04 0.15 -0.04 1.64 1.75 2j66A1 LEU 394 HG -0.01 -0.02 -0.39 -0.04 1.64 1.18 2j66A1 LEU 394 HD13 0.03 0.00 -0.02 -0.04 0.93 0.90 2j66A1 LEU 394 HD23 -0.06 0.00 -0.12 -0.04 0.89 0.67 2j66A1 LYS 395 H 0.11 0.77 0.44 -0.55 8.42 9.19 2j66A1 LYS 395 HA -0.10 0.39 1.08 -0.75 4.32 4.93 2j66A1 LYS 395 HB2 0.21 0.02 0.05 -0.04 1.87 2.11 2j66A1 LYS 395 HB3 0.07 -0.07 0.26 -0.04 1.79 2.01 2j66A1 LYS 395 HG2 -0.14 -0.16 -0.19 -0.04 1.46 0.93 2j66A1 LYS 395 HG3 -0.64 0.15 -0.06 -0.04 1.46 0.87 2j66A1 LYS 395 HD2 -0.06 0.00 -0.08 -0.04 1.69 1.52 2j66A1 LYS 395 HD3 0.23 0.05 -0.08 -0.04 1.68 1.85 2j66A1 LYS 395 HE2 0.07 -0.00 0.00 -0.04 2.99 3.02 2j66A1 LYS 395 HE3 0.02 -0.14 -0.03 -0.04 2.99 2.80 2j66A1 ARG 396 H -0.15 0.74 0.27 -0.55 8.46 8.78 2j66A1 ARG 396 HA -0.02 -0.10 0.55 -0.75 4.34 4.02 2j66A1 ARG 396 HB2 0.00 0.03 -0.38 -0.04 1.90 1.51 2j66A1 ARG 396 HB3 -0.02 0.08 -0.10 -0.04 1.80 1.71 2j66A1 ARG 396 HG2 0.02 -0.00 -0.07 -0.04 1.67 1.57 2j66A1 ARG 396 HG3 0.05 -0.09 -0.12 -0.04 1.67 1.46 2j66A1 ARG 396 HD2 0.02 -0.00 -0.07 -0.04 3.22 3.12 2j66A1 ARG 396 HD3 0.01 0.04 -0.10 -0.04 3.22 3.12 2j66A1 ASN 397 H -0.02 0.12 0.13 -0.55 8.53 8.21 2j66A1 ASN 397 HA -0.02 0.04 0.34 -0.75 4.76 4.37 2j66A1 ASN 397 HB2 -0.03 0.17 0.00 -0.04 2.88 2.98 2j66A1 ASN 397 HB3 -0.02 0.04 0.18 -0.04 2.79 2.96 2j66A1 ASN 397 HD21 0.02 0.04 -0.08 -0.04 7.03 6.97 2j66A1 ASN 397 HD22 -0.01 0.06 -0.14 -0.04 7.74 7.61 2j66A1 GLY 398 H -0.09 -0.02 -0.22 -0.55 8.43 7.55 2j66A1 GLY 398 HA2 -0.12 -0.03 0.25 -0.51 4.01 3.60 2j66A1 GLY 398 HA3 -0.07 0.12 0.42 -0.51 4.01 3.97 2j66A1 SER 399 H -0.18 0.33 -0.38 -0.55 8.46 7.69 2j66A1 SER 399 HA -0.17 0.21 0.94 -0.75 4.49 4.71 2j66A1 SER 399 HB2 -0.07 0.09 -0.01 -0.04 3.95 3.92 2j66A1 SER 399 HB3 -0.03 -0.02 0.06 -0.04 3.93 3.90 2j66A1 TYR 400 H 0.08 0.25 0.17 -0.55 8.29 8.23 2j66A1 TYR 400 HA -0.00 0.24 1.01 -0.75 4.56 5.05 2j66A1 TYR 400 HB2 0.11 0.01 0.08 -0.04 3.06 3.22 2j66A1 TYR 400 HB3 0.04 0.00 -0.09 -0.04 2.98 2.89 2j66A1 TYR 400 HD2 0.02 0.01 -0.11 -0.04 7.15 7.02 2j66A1 TYR 400 HE2 0.03 0.00 -0.11 -0.04 6.85 6.72 2j66A1 GLU 401 H 0.04 0.69 0.32 -0.55 8.60 9.11 2j66A1 GLU 401 HA 0.02 0.18 0.99 -0.75 4.29 4.73 2j66A1 GLU 401 HB2 -0.03 0.01 -0.08 -0.04 2.09 1.95 2j66A1 GLU 401 HB3 -0.06 -0.06 0.09 -0.04 1.99 1.93 2j66A1 GLU 401 HG2 -0.13 0.14 -0.24 -0.04 2.34 2.07 2j66A1 GLU 401 HG3 -0.06 0.01 0.01 -0.04 2.34 2.26 2j66A1 LEU 402 H -0.00 0.19 0.16 -0.55 8.37 8.17 2j66A1 LEU 402 HA -0.16 0.14 0.69 -0.75 4.35 4.26 2j66A1 LEU 402 HB2 0.09 0.04 0.12 -0.04 1.64 1.85 2j66A1 LEU 402 HB3 -0.00 -0.00 0.20 -0.04 1.64 1.80 2j66A1 LEU 402 HG -0.03 -0.11 -0.31 -0.04 1.64 1.15 2j66A1 LEU 402 HD13 -0.03 0.07 0.04 -0.04 0.93 0.97 2j66A1 LEU 402 HD23 0.06 -0.00 -0.01 -0.04 0.89 0.89 2j66A1 ILE 403 H -0.11 0.68 0.37 -0.55 8.25 8.64 2j66A1 ILE 403 HA -0.41 0.25 1.01 -0.75 4.18 4.28 2j66A1 ILE 403 HB -0.03 -0.14 0.12 -0.04 1.89 1.80 2j66A1 ILE 403 HG12 -0.05 0.06 -0.30 -0.04 1.49 1.16 2j66A1 ILE 403 HG13 -0.02 0.03 -0.25 -0.04 1.21 0.93 2j66A1 ILE 403 HG23 -0.23 0.03 -0.22 -0.04 0.93 0.48 2j66A1 ILE 403 HD13 -0.16 -0.03 -0.18 -0.04 0.88 0.47 2j66A1 ARG 404 H -0.04 0.23 0.00 -0.55 8.46 8.10 2j66A1 ARG 404 HA 0.03 0.04 0.42 -0.75 4.34 4.08 2j66A1 ARG 404 HB2 0.04 0.04 -0.03 -0.04 1.90 1.90 2j66A1 ARG 404 HB3 0.04 -0.07 0.10 -0.04 1.80 1.83 2j66A1 ARG 404 HG2 0.04 0.25 -0.07 -0.04 1.67 1.85 2j66A1 ARG 404 HG3 0.03 -0.06 0.10 -0.04 1.67 1.70 2j66A1 ARG 404 HD2 0.04 0.21 -0.05 -0.04 3.22 3.38 2j66A1 ARG 404 HD3 0.03 -0.01 -0.03 -0.04 3.22 3.17 2j66A1 ARG 405 H 0.03 0.10 0.08 -0.55 8.46 8.12 2j66A1 ARG 405 HA 0.04 0.06 0.59 -0.75 4.34 4.27 2j66A1 ARG 405 HB2 0.04 0.03 0.11 -0.04 1.90 2.04 2j66A1 ARG 405 HB3 0.03 -0.04 0.08 -0.04 1.80 1.83 2j66A1 ARG 405 HG2 0.04 -0.09 0.01 -0.04 1.67 1.59 2j66A1 ARG 405 HG3 0.05 0.14 -0.37 -0.04 1.67 1.45 2j66A1 ARG 405 HD2 0.04 0.08 -0.04 -0.04 3.22 3.26 2j66A1 ARG 405 HD3 0.03 -0.03 -0.01 -0.04 3.22 3.16 2j66A1 LYS 406 H 0.07 0.04 0.15 -0.55 8.42 8.12 2j66A1 LYS 406 HA 0.08 0.22 0.31 -0.75 4.32 4.18 2j66A1 LYS 406 HB2 0.10 -0.02 0.14 -0.04 1.87 2.04 2j66A1 LYS 406 HB3 0.07 -0.10 0.14 -0.04 1.79 1.86 2j66A1 LYS 406 HG2 0.09 0.26 -0.15 -0.04 1.46 1.62 2j66A1 LYS 406 HG3 0.12 0.10 0.04 -0.04 1.46 1.68 2j66A1 LYS 406 HD2 0.09 -0.01 0.03 -0.04 1.69 1.76 2j66A1 LYS 406 HD3 0.07 -0.09 0.02 -0.04 1.68 1.64 2j66A1 LYS 406 HE2 0.08 0.01 0.04 -0.04 2.99 3.08 2j66A1 LYS 406 HE3 0.11 0.06 0.02 -0.04 2.99 3.15 2j66A1 GLY 407 H 0.11 0.58 0.18 -0.55 8.43 8.76 2j66A1 GLY 407 HA2 0.08 0.05 0.47 -0.51 4.01 4.10 2j66A1 GLY 407 HA3 0.12 -0.18 0.43 -0.51 4.01 3.87 2j66A1 THR 408 H 0.06 0.10 0.22 -0.55 8.28 8.11 2j66A1 THR 408 HA 0.05 0.32 0.93 -0.75 4.39 4.93 2j66A1 THR 408 HB 0.02 -0.06 0.17 -0.04 4.32 4.41 2j66A1 THR 408 HG23 0.04 0.07 -0.14 -0.04 1.22 1.15 2j66A1 ALA 409 H 0.01 0.24 0.17 -0.55 8.40 8.27 2j66A1 ALA 409 HA -0.02 0.19 0.45 -0.75 4.34 4.20 2j66A1 ALA 409 HB3 -0.01 0.04 0.11 -0.04 1.41 1.51 2j66A1 ASP 410 H 0.00 0.08 -0.18 -0.55 8.40 7.76 2j66A1 ASP 410 HA -0.01 0.11 0.39 -0.75 4.63 4.37 2j66A1 ASP 410 HB2 0.01 -0.01 0.02 -0.04 2.71 2.68 2j66A1 ASP 410 HB3 0.00 0.07 0.00 -0.04 2.70 2.74 2j66A1 ASP 411 H 0.00 0.18 -0.39 -0.55 8.40 7.64 2j66A1 ASP 411 HA 0.01 0.07 0.40 -0.75 4.63 4.36 2j66A1 ASP 411 HB2 0.02 0.20 0.13 -0.04 2.71 3.02 2j66A1 ASP 411 HB3 0.07 0.03 0.05 -0.04 2.70 2.80 2j66A1 ILE 412 H -0.09 0.26 -0.39 -0.55 8.25 7.49 2j66A1 ILE 412 HA -0.40 0.07 0.49 -0.75 4.18 3.59 2j66A1 ILE 412 HB -0.10 0.14 0.15 -0.04 1.89 2.04 2j66A1 ILE 412 HG12 -0.44 -0.03 -0.04 -0.04 1.49 0.95 2j66A1 ILE 412 HG13 -0.13 0.03 0.05 -0.04 1.21 1.12 2j66A1 ILE 412 HG23 -0.15 -0.02 -0.05 -0.04 0.93 0.67 2j66A1 ILE 412 HD13 -0.05 0.01 -0.04 -0.04 0.88 0.76 2j66A1 VAL 413 H -0.04 0.32 -0.02 -0.55 8.24 7.94 2j66A1 VAL 413 HA -0.02 0.13 0.56 -0.75 4.13 4.04 2j66A1 VAL 413 HB -0.01 0.00 0.05 -0.04 2.12 2.13 2j66A1 VAL 413 HG13 -0.02 0.01 -0.01 -0.04 0.97 0.90 2j66A1 VAL 413 HG23 -0.01 0.04 -0.03 -0.04 0.95 0.91 2j66A1 ALA 414 H -0.01 0.28 -0.49 -0.55 8.40 7.62 2j66A1 ALA 414 HA 0.01 0.03 0.35 -0.75 4.34 3.97 2j66A1 ALA 414 HB3 0.02 0.02 0.07 -0.04 1.41 1.48 2j66A1 THR 415 H 0.02 0.17 -0.19 -0.55 8.28 7.73 2j66A1 THR 415 HA 0.02 0.11 0.42 -0.75 4.39 4.18 2j66A1 THR 415 HB 0.03 -0.02 0.08 -0.04 4.32 4.38 2j66A1 THR 415 HG23 0.05 -0.02 0.02 -0.04 1.22 1.23 2j66A1 GLN 416 H 0.01 0.27 -0.61 -0.55 8.47 7.58 2j66A1 GLN 416 HA 0.01 0.10 0.76 -0.75 4.36 4.48 2j66A1 GLN 416 HB2 0.00 0.05 0.08 -0.04 2.15 2.24 2j66A1 GLN 416 HB3 0.01 -0.06 0.06 -0.04 2.02 1.98 2j66A1 GLN 416 HG2 0.02 -0.01 -0.07 -0.04 2.40 2.29 2j66A1 GLN 416 HG3 0.01 0.01 -0.05 -0.04 2.39 2.32 2j66A1 GLN 416 HE21 0.00 -0.06 -0.06 -0.04 6.97 6.81 2j66A1 GLN 416 HE22 0.00 0.14 -0.04 -0.04 7.69 7.75 2j66A1 LEU 417 H 0.01 0.31 -0.12 -0.55 8.37 8.02 2j66A1 LEU 417 HA 0.00 0.06 0.69 -0.75 4.35 4.35 2j66A1 LEU 417 HB2 0.00 -0.03 0.06 -0.04 1.64 1.64 2j66A1 LEU 417 HB3 0.00 -0.01 0.05 -0.04 1.64 1.64 2j66A1 LEU 417 HG 0.00 0.02 -0.11 -0.04 1.64 1.51 2j66A1 LEU 417 HD13 0.00 -0.04 -0.06 -0.04 0.93 0.79 2j66A1 LEU 417 HD23 0.00 0.00 -0.10 -0.04 0.89 0.76