============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TYR 16 0.840 17.114 36.038 30.429 -99.200 -91.000 PHE 33 1.000 20.548 41.984 47.179 -99.200 -91.000 HIS 41 0.900 27.914 43.146 39.663 -99.200 -91.000 PHE 52 1.000 18.061 46.465 44.138 -99.200 -91.000 TYR 53 0.840 11.471 44.278 46.196 -99.200 -91.000 HIS 61 0.900 8.991 39.864 36.085 -99.200 -91.000 PHE 62 1.000 15.866 40.661 35.159 -99.200 -91.000 PHE 80 1.000 3.870 50.400 31.733 -99.200 -91.000 PHE 94 1.000 8.890 59.841 28.204 -99.200 -91.000 HIS 100 0.900 -1.497 70.499 23.161 -99.200 -91.000 TYR 108 0.840 -9.251 51.035 25.096 -99.200 -91.000 PHE 114 1.000 -3.295 59.453 31.780 -99.200 -91.000 TRP 128 1.040 -9.190 65.758 22.241 -99.200 -91.000 TRP6 128 1.020 -8.593 63.850 23.453 -99.200 -91.000 PHE 129 1.000 -3.487 63.432 15.831 -99.200 -91.000 HIS 140 0.900 -5.070 69.795 14.583 -99.200 -91.000 PHE 149 1.000 -1.405 57.341 22.944 -99.200 -91.000 HIS 161 0.900 -2.937 58.086 13.281 -99.200 -91.000 TRP 185 1.040 -5.809 46.069 13.689 -99.200 -91.000 TRP6 185 1.020 -4.609 45.820 11.665 -99.200 -91.000 PHE 191 1.000 3.520 51.509 11.869 -99.200 -91.000 PHE 196 1.000 7.073 53.176 9.262 -99.200 -91.000 TYR 208 0.840 -4.445 39.914 17.221 -99.200 -91.000 HIS 212 0.900 -3.611 31.093 23.511 -99.200 -91.000 TRP 227 1.040 14.597 51.205 28.908 -99.200 -91.000 TRP6 227 1.020 16.728 50.224 29.245 -99.200 -91.000 TYR 235 0.840 11.252 50.342 40.697 -99.200 -91.000 TYR 247 0.840 6.129 29.982 31.043 -99.200 -91.000 HIS 263 0.900 -6.211 35.849 14.778 -99.200 -91.000 HIS 264 0.900 -3.191 39.510 5.981 -99.200 -91.000 TRP 273 1.040 -20.241 36.923 2.348 -99.200 -91.000 TRP6 273 1.020 -21.195 37.444 4.451 -99.200 -91.000 HIS 277 0.900 -25.257 40.777 3.077 -99.200 -91.000 HIS 285 0.900 -9.278 43.929 7.130 -99.200 -91.000 HIS 294 0.900 -5.932 49.415 1.031 -99.200 -91.000 PHE 296 1.000 -2.204 57.542 4.392 -99.200 -91.000 TRP 297 1.040 -2.628 47.328 6.290 -99.200 -91.000 TRP6 297 1.020 -2.725 45.941 4.389 -99.200 -91.000 PHE 301 1.000 -0.128 49.122 9.576 -99.200 -91.000 PHE 308 1.000 -13.668 42.914 9.349 -99.200 -91.000 PHE 310 1.000 -20.621 44.415 9.532 -99.200 -91.000 TYR 324 0.840 -26.132 41.773 13.553 -99.200 -91.000 PHE 328 1.000 -24.201 37.437 15.094 -99.200 -91.000 PHE 331 1.000 -18.560 36.444 14.140 -99.200 -91.000 TYR 335 0.840 -17.098 46.172 26.205 -99.200 -91.000 TRP 337 1.040 -9.304 44.370 20.499 -99.200 -91.000 TRP6 337 1.020 -7.248 44.553 19.327 -99.200 -91.000 TYR 340 0.840 -9.339 30.557 22.397 -99.200 -91.000 HIS 351 0.900 -24.031 53.865 21.527 -99.200 -91.000 PHE 363 1.000 -20.258 55.491 12.144 -99.200 -91.000 HIS 371 0.900 -10.220 38.646 17.292 -99.200 -91.000 PHE 388 1.000 -24.982 40.923 6.981 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2fq6B1 LYS 4 HA -0.00 0.01 0.14 -0.75 4.32 3.71 2fq6B1 LYS 4 HB2 -0.00 -0.05 0.00 -0.04 1.87 1.78 2fq6B1 LYS 4 HB3 -0.00 0.01 -0.01 -0.04 1.79 1.75 2fq6B1 LYS 4 HG2 -0.00 0.01 0.01 -0.04 1.46 1.43 2fq6B1 LYS 4 HG3 -0.00 0.02 0.02 -0.04 1.46 1.46 2fq6B1 LYS 4 HD2 -0.00 -0.03 0.02 -0.04 1.69 1.64 2fq6B1 LYS 4 HD3 -0.00 0.01 0.01 -0.04 1.68 1.65 2fq6B1 LYS 4 HE2 -0.00 0.01 -0.00 -0.04 2.99 2.95 2fq6B1 LYS 4 HE3 -0.00 0.02 0.00 -0.04 2.99 2.97 2fq6B1 LYS 5 H 0.00 0.15 0.10 -0.55 8.42 8.12 2fq6B1 LYS 5 HA 0.00 0.15 0.57 -0.75 4.32 4.29 2fq6B1 LYS 5 HB2 0.00 -0.15 0.07 -0.04 1.87 1.75 2fq6B1 LYS 5 HB3 0.00 0.01 0.17 -0.04 1.79 1.93 2fq6B1 LYS 5 HG2 0.00 0.06 0.12 -0.04 1.46 1.60 2fq6B1 LYS 5 HG3 0.00 0.01 0.06 -0.04 1.46 1.49 2fq6B1 LYS 5 HD2 0.00 0.02 0.03 -0.04 1.69 1.70 2fq6B1 LYS 5 HD3 0.00 0.03 -0.04 -0.04 1.68 1.62 2fq6B1 LYS 5 HE2 0.00 -0.01 0.03 -0.04 2.99 2.96 2fq6B1 LYS 5 HE3 0.00 0.03 0.01 -0.04 2.99 2.98 2fq6B1 LEU 6 H 0.01 0.18 0.18 -0.55 8.37 8.19 2fq6B1 LEU 6 HA 0.01 0.16 0.34 -0.75 4.35 4.10 2fq6B1 LEU 6 HB2 0.01 0.11 0.15 -0.04 1.64 1.87 2fq6B1 LEU 6 HB3 0.01 -0.05 0.15 -0.04 1.64 1.72 2fq6B1 LEU 6 HG 0.02 -0.07 -0.19 -0.04 1.64 1.36 2fq6B1 LEU 6 HD13 0.01 0.02 0.02 -0.04 0.93 0.94 2fq6B1 LEU 6 HD23 0.03 0.02 -0.04 -0.04 0.89 0.85 2fq6B1 ASP 7 H 0.01 0.09 -0.12 -0.55 8.40 7.82 2fq6B1 ASP 7 HA 0.01 0.06 0.38 -0.75 4.63 4.32 2fq6B1 ASP 7 HB2 0.01 -0.02 0.04 -0.04 2.71 2.69 2fq6B1 ASP 7 HB3 0.01 0.07 0.01 -0.04 2.70 2.74 2fq6B1 THR 8 H 0.00 0.10 -0.33 -0.55 8.28 7.50 2fq6B1 THR 8 HA 0.00 0.06 0.52 -0.75 4.39 4.23 2fq6B1 THR 8 HB 0.00 0.18 0.05 -0.04 4.32 4.51 2fq6B1 THR 8 HG23 0.00 0.00 -0.06 -0.04 1.22 1.12 2fq6B1 GLN 9 H 0.00 0.53 -0.14 -0.55 8.47 8.31 2fq6B1 GLN 9 HA 0.00 0.00 0.38 -0.75 4.36 3.99 2fq6B1 GLN 9 HB2 0.00 0.05 0.15 -0.04 2.15 2.32 2fq6B1 GLN 9 HB3 0.00 -0.01 -0.10 -0.04 2.02 1.88 2fq6B1 GLN 9 HG2 0.00 -0.07 -0.03 -0.04 2.40 2.27 2fq6B1 GLN 9 HG3 0.00 0.11 -0.14 -0.04 2.39 2.33 2fq6B1 GLN 9 HE21 -0.01 0.20 -0.13 -0.04 6.97 7.00 2fq6B1 GLN 9 HE22 -0.00 -0.08 -0.06 -0.04 7.69 7.51 2fq6B1 LEU 10 H 0.01 0.70 -0.06 -0.55 8.37 8.47 2fq6B1 LEU 10 HA 0.01 -0.00 0.35 -0.75 4.35 3.96 2fq6B1 LEU 10 HB2 0.01 0.00 0.15 -0.04 1.64 1.76 2fq6B1 LEU 10 HB3 0.01 0.20 -0.01 -0.04 1.64 1.80 2fq6B1 LEU 10 HG 0.01 0.10 0.04 -0.04 1.64 1.76 2fq6B1 LEU 10 HD13 0.02 -0.06 -0.05 -0.04 0.93 0.80 2fq6B1 LEU 10 HD23 0.02 0.01 0.02 -0.04 0.89 0.89 2fq6B1 VAL 11 H 0.01 0.37 -0.22 -0.55 8.24 7.85 2fq6B1 VAL 11 HA -0.00 0.03 0.50 -0.75 4.13 3.91 2fq6B1 VAL 11 HB 0.00 0.07 0.18 -0.04 2.12 2.34 2fq6B1 VAL 11 HG13 0.00 -0.03 -0.09 -0.04 0.97 0.81 2fq6B1 VAL 11 HG23 0.00 0.01 0.11 -0.04 0.95 1.03 2fq6B1 ASN 12 H 0.00 0.39 -0.23 -0.55 8.53 8.15 2fq6B1 ASN 12 HA 0.01 0.18 0.73 -0.75 4.76 4.92 2fq6B1 ASN 12 HB2 0.01 0.11 0.07 -0.04 2.88 3.03 2fq6B1 ASN 12 HB3 0.01 -0.12 0.03 -0.04 2.79 2.67 2fq6B1 ASN 12 HD21 0.01 -0.08 -0.01 -0.04 7.03 6.90 2fq6B1 ASN 12 HD22 0.01 0.09 -0.01 -0.04 7.74 7.78 2fq6B1 ALA 13 H 0.00 0.58 -0.03 -0.55 8.40 8.40 2fq6B1 ALA 13 HA 0.01 -0.13 0.35 -0.75 4.34 3.82 2fq6B1 ALA 13 HB3 0.00 0.02 0.09 -0.04 1.41 1.48 2fq6B1 GLY 14 H 0.04 0.09 0.15 -0.55 8.43 8.16 2fq6B1 GLY 14 HA2 0.08 -0.07 0.37 -0.51 4.01 3.88 2fq6B1 GLY 14 HA3 0.01 0.18 0.54 -0.51 4.01 4.23 2fq6B1 ARG 15 H 0.05 0.65 -0.15 -0.55 8.46 8.45 2fq6B1 ARG 15 HA 0.10 0.11 0.52 -0.75 4.34 4.32 2fq6B1 ARG 15 HB2 0.03 0.15 0.14 -0.04 1.90 2.19 2fq6B1 ARG 15 HB3 0.04 -0.05 0.17 -0.04 1.80 1.91 2fq6B1 ARG 15 HG2 0.02 -0.09 -0.07 -0.04 1.67 1.50 2fq6B1 ARG 15 HG3 0.01 0.05 -0.26 -0.04 1.67 1.43 2fq6B1 ARG 15 HD2 -0.01 -0.12 -0.01 -0.04 3.22 3.04 2fq6B1 ARG 15 HD3 0.00 0.32 0.10 -0.04 3.22 3.60 2fq6B1 SER 16 H 0.20 0.24 -0.32 -0.55 8.46 8.03 2fq6B1 SER 16 HA 0.02 0.15 0.63 -0.75 4.49 4.53 2fq6B1 SER 16 HB2 -0.15 -0.21 0.01 -0.04 3.95 3.55 2fq6B1 SER 16 HB3 -0.02 0.08 0.09 -0.04 3.93 4.04 2fq6B1 LYS 17 H -0.02 0.22 0.18 -0.55 8.42 8.24 2fq6B1 LYS 17 HA 0.01 0.10 0.39 -0.75 4.32 4.06 2fq6B1 LYS 17 HB2 -0.01 0.09 0.15 -0.04 1.87 2.06 2fq6B1 LYS 17 HB3 -0.03 0.02 0.06 -0.04 1.79 1.79 2fq6B1 LYS 17 HG2 -0.01 -0.02 -0.04 -0.04 1.46 1.35 2fq6B1 LYS 17 HG3 0.00 -0.03 0.08 -0.04 1.46 1.47 2fq6B1 LYS 17 HD2 -0.00 0.05 0.01 -0.04 1.69 1.71 2fq6B1 LYS 17 HD3 -0.01 0.01 -0.01 -0.04 1.68 1.62 2fq6B1 LYS 17 HE2 -0.00 0.03 -0.02 -0.04 2.99 2.96 2fq6B1 LYS 17 HE3 -0.00 -0.00 -0.04 -0.04 2.99 2.91 2fq6B1 LYS 18 H -0.16 0.09 -0.30 -0.55 8.42 7.50 2fq6B1 LYS 18 HA -0.08 0.11 0.42 -0.75 4.32 4.02 2fq6B1 LYS 18 HB2 -0.20 0.04 0.09 -0.04 1.87 1.76 2fq6B1 LYS 18 HB3 -0.16 -0.00 0.07 -0.04 1.79 1.66 2fq6B1 LYS 18 HG2 -0.36 -0.03 -0.01 -0.04 1.46 1.02 2fq6B1 LYS 18 HG3 -1.02 0.01 -0.14 -0.04 1.46 0.26 2fq6B1 LYS 18 HD2 -1.24 0.03 -0.10 -0.04 1.69 0.33 2fq6B1 LYS 18 HD3 -0.27 0.00 -0.03 -0.04 1.68 1.34 2fq6B1 LYS 18 HE2 -0.17 -0.03 -0.01 -0.04 2.99 2.73 2fq6B1 LYS 18 HE3 -0.21 0.02 -0.03 -0.04 2.99 2.73 2fq6B1 TYR 19 H -0.05 0.39 -0.43 -0.55 8.29 7.64 2fq6B1 TYR 19 HA 0.05 0.14 0.93 -0.75 4.56 4.92 2fq6B1 TYR 19 HB2 0.04 0.20 0.11 -0.04 3.06 3.37 2fq6B1 TYR 19 HB3 0.04 -0.05 0.08 -0.04 2.98 3.00 2fq6B1 TYR 19 HD2 0.07 0.06 0.04 -0.04 7.15 7.28 2fq6B1 TYR 19 HE2 0.20 0.01 -0.04 -0.04 6.85 6.98 2fq6B1 THR 20 H 0.09 0.23 -0.01 -0.55 8.28 8.05 2fq6B1 THR 20 HA 0.09 0.17 0.66 -0.75 4.39 4.56 2fq6B1 THR 20 HB 0.05 0.23 -0.30 -0.04 4.32 4.27 2fq6B1 THR 20 HG23 0.08 0.04 -0.40 -0.04 1.22 0.90 2fq6B1 LEU 21 H 0.03 0.51 0.06 -0.55 8.37 8.42 2fq6B1 LEU 21 HA 0.02 0.06 0.30 -0.75 4.35 3.97 2fq6B1 LEU 21 HB2 0.03 0.09 -0.21 -0.04 1.64 1.51 2fq6B1 LEU 21 HB3 0.02 -0.03 0.10 -0.04 1.64 1.70 2fq6B1 LEU 21 HG 0.06 -0.07 -0.59 -0.04 1.64 1.00 2fq6B1 LEU 21 HD13 0.04 -0.02 -0.08 -0.04 0.93 0.83 2fq6B1 LEU 21 HD23 0.02 0.08 0.00 -0.04 0.89 0.95 2fq6B1 GLY 22 H 0.02 0.07 -0.27 -0.55 8.43 7.70 2fq6B1 GLY 22 HA2 0.01 -0.04 0.29 -0.51 4.01 3.77 2fq6B1 GLY 22 HA3 0.01 0.15 0.78 -0.51 4.01 4.44 2fq6B1 ALA 23 H 0.03 0.51 -0.34 -0.55 8.40 8.06 2fq6B1 ALA 23 HA 0.02 0.08 0.55 -0.75 4.34 4.24 2fq6B1 ALA 23 HB3 0.04 0.03 0.06 -0.04 1.41 1.49 2fq6B1 VAL 24 H 0.03 0.04 0.13 -0.55 8.24 7.89 2fq6B1 VAL 24 HA 0.02 0.15 0.70 -0.75 4.13 4.25 2fq6B1 VAL 24 HB 0.02 -0.07 0.12 -0.04 2.12 2.16 2fq6B1 VAL 24 HG13 0.01 0.01 -0.08 -0.04 0.97 0.87 2fq6B1 VAL 24 HG23 0.01 -0.00 0.01 -0.04 0.95 0.93 2fq6B1 ASN 25 H 0.06 -0.05 0.02 -0.55 8.53 8.02 2fq6B1 ASN 25 HA 0.00 0.20 0.66 -0.75 4.76 4.87 2fq6B1 ASN 25 HB2 0.21 -0.03 -0.00 -0.04 2.88 3.02 2fq6B1 ASN 25 HB3 -0.04 0.04 0.04 -0.04 2.79 2.78 2fq6B1 ASN 25 HD21 0.04 0.03 -0.01 -0.04 7.03 7.04 2fq6B1 ASN 25 HD22 0.10 -0.06 0.04 -0.04 7.74 7.78 2fq6B1 SER 26 H 0.01 0.09 0.03 -0.55 8.46 8.04 2fq6B1 SER 26 HA 0.11 0.10 0.19 -0.75 4.49 4.14 2fq6B1 SER 26 HB2 0.06 0.03 0.04 -0.04 3.95 4.03 2fq6B1 SER 26 HB3 0.03 0.01 0.04 -0.04 3.93 3.97 2fq6B1 VAL 27 H 0.09 0.57 0.28 -0.55 8.24 8.63 2fq6B1 VAL 27 HA 0.03 0.09 0.51 -0.75 4.13 4.00 2fq6B1 VAL 27 HB -0.00 -0.06 -0.10 -0.04 2.12 1.92 2fq6B1 VAL 27 HG13 0.03 0.03 -0.05 -0.04 0.97 0.93 2fq6B1 VAL 27 HG23 0.05 0.03 -0.07 -0.04 0.95 0.91 2fq6B1 ILE 28 H -0.09 0.20 0.08 -0.55 8.25 7.89 2fq6B1 ILE 28 HA -0.07 0.13 0.86 -0.75 4.18 4.35 2fq6B1 ILE 28 HB -0.19 0.02 0.15 -0.04 1.89 1.84 2fq6B1 ILE 28 HG12 -0.31 0.02 -0.08 -0.04 1.49 1.08 2fq6B1 ILE 28 HG13 -0.49 0.09 -0.15 -0.04 1.21 0.62 2fq6B1 ILE 28 HG23 -0.13 -0.03 -0.23 -0.04 0.93 0.49 2fq6B1 ILE 28 HD13 -0.80 -0.00 -0.02 -0.04 0.88 0.02 2fq6B1 GLN 29 H -0.08 0.14 -0.06 -0.55 8.47 7.92 2fq6B1 GLN 29 HA -0.05 0.22 0.78 -0.75 4.36 4.56 2fq6B1 GLN 29 HB2 -0.03 0.08 0.00 -0.04 2.15 2.16 2fq6B1 GLN 29 HB3 -0.07 -0.24 0.20 -0.04 2.02 1.87 2fq6B1 GLN 29 HG2 -0.04 0.01 -0.21 -0.04 2.40 2.12 2fq6B1 GLN 29 HG3 -0.03 0.12 -0.01 -0.04 2.39 2.42 2fq6B1 GLN 29 HE21 0.01 0.03 0.01 -0.04 6.97 6.98 2fq6B1 GLN 29 HE22 -0.01 0.06 -0.01 -0.04 7.69 7.69 2fq6B1 ARG 30 H -0.05 0.29 0.09 -0.55 8.46 8.24 2fq6B1 ARG 30 HA -0.04 0.00 0.69 -0.75 4.34 4.24 2fq6B1 ARG 30 HB2 -0.04 0.06 0.15 -0.04 1.90 2.03 2fq6B1 ARG 30 HB3 -0.04 0.01 0.02 -0.04 1.80 1.76 2fq6B1 ARG 30 HG2 -0.05 -0.12 -0.04 -0.04 1.67 1.42 2fq6B1 ARG 30 HG3 -0.06 0.06 -0.09 -0.04 1.67 1.54 2fq6B1 ARG 30 HD2 -0.04 0.06 0.01 -0.04 3.22 3.20 2fq6B1 ARG 30 HD3 -0.04 -0.01 0.00 -0.04 3.22 3.13 2fq6B1 ALA 31 H -0.04 0.21 0.17 -0.55 8.40 8.19 2fq6B1 ALA 31 HA -0.05 0.03 0.43 -0.75 4.34 3.99 2fq6B1 ALA 31 HB3 -0.06 0.10 -0.22 -0.04 1.41 1.19 2fq6B1 SER 32 H -0.06 0.12 0.10 -0.55 8.46 8.08 2fq6B1 SER 32 HA -0.30 0.12 0.85 -0.75 4.49 4.41 2fq6B1 SER 32 HB2 -0.01 0.05 0.09 -0.04 3.95 4.04 2fq6B1 SER 32 HB3 -0.06 0.05 0.09 -0.04 3.93 3.96 2fq6B1 SER 33 H 0.01 0.08 0.14 -0.55 8.46 8.15 2fq6B1 SER 33 HA 0.12 0.08 0.45 -0.75 4.49 4.38 2fq6B1 SER 33 HB2 -0.02 -0.04 0.11 -0.04 3.95 3.96 2fq6B1 SER 33 HB3 -0.05 0.08 -0.06 -0.04 3.93 3.85 2fq6B1 LEU 34 H -0.10 0.29 0.17 -0.55 8.37 8.19 2fq6B1 LEU 34 HA -0.13 0.11 0.59 -0.75 4.35 4.16 2fq6B1 LEU 34 HB2 -0.11 0.13 -0.29 -0.04 1.64 1.33 2fq6B1 LEU 34 HB3 -0.09 0.04 -0.16 -0.04 1.64 1.39 2fq6B1 LEU 34 HG -0.07 0.02 -0.66 -0.04 1.64 0.89 2fq6B1 LEU 34 HD13 0.04 -0.05 -0.36 -0.04 0.93 0.52 2fq6B1 LEU 34 HD23 -0.03 -0.00 -0.07 -0.04 0.89 0.75 2fq6B1 VAL 35 H -0.17 0.14 0.02 -0.55 8.24 7.68 2fq6B1 VAL 35 HA -0.35 0.09 0.45 -0.75 4.13 3.57 2fq6B1 VAL 35 HB -0.08 -0.01 0.02 -0.04 2.12 2.01 2fq6B1 VAL 35 HG13 -0.04 0.01 -0.14 -0.04 0.97 0.76 2fq6B1 VAL 35 HG23 -0.09 0.01 -0.09 -0.04 0.95 0.74 2fq6B1 PHE 36 H -0.19 0.20 0.17 -0.55 8.34 7.97 2fq6B1 PHE 36 HA 0.04 0.16 0.81 -0.75 4.62 4.88 2fq6B1 PHE 36 HB2 0.03 -0.00 0.08 -0.04 3.15 3.21 2fq6B1 PHE 36 HB3 0.05 -0.08 0.00 -0.04 3.06 2.99 2fq6B1 PHE 36 HD2 0.05 -0.03 -0.05 -0.04 7.28 7.20 2fq6B1 PHE 36 HE2 0.02 0.04 0.02 -0.04 7.38 7.43 2fq6B1 PHE 36 HZ -0.42 0.10 0.07 -0.04 7.32 7.03 2fq6B1 ASP 37 H 0.15 0.17 0.10 -0.55 8.40 8.27 2fq6B1 ASP 37 HA 0.06 0.17 0.43 -0.75 4.63 4.54 2fq6B1 ASP 37 HB2 0.06 -0.03 0.09 -0.04 2.71 2.79 2fq6B1 ASP 37 HB3 0.04 0.02 0.09 -0.04 2.70 2.82 2fq6B1 SER 38 H 0.12 0.13 -0.14 -0.55 8.46 8.03 2fq6B1 SER 38 HA 0.05 0.23 0.53 -0.75 4.49 4.54 2fq6B1 SER 38 HB2 0.03 0.02 0.15 -0.04 3.95 4.11 2fq6B1 SER 38 HB3 0.04 0.22 -0.22 -0.04 3.93 3.92 2fq6B1 VAL 39 H 0.03 0.26 0.15 -0.55 8.24 8.12 2fq6B1 VAL 39 HA 0.00 0.12 0.42 -0.75 4.13 3.92 2fq6B1 VAL 39 HB 0.01 -0.01 0.14 -0.04 2.12 2.22 2fq6B1 VAL 39 HG13 -0.00 0.03 -0.07 -0.04 0.97 0.89 2fq6B1 VAL 39 HG23 0.01 0.03 0.07 -0.04 0.95 1.02 2fq6B1 GLU 40 H 0.02 0.08 -0.17 -0.55 8.60 7.98 2fq6B1 GLU 40 HA 0.01 0.13 0.38 -0.75 4.29 4.06 2fq6B1 GLU 40 HB2 0.01 0.05 0.08 -0.04 2.09 2.19 2fq6B1 GLU 40 HB3 0.02 -0.05 0.06 -0.04 1.99 1.98 2fq6B1 GLU 40 HG2 0.01 0.05 -0.03 -0.04 2.34 2.33 2fq6B1 GLU 40 HG3 0.02 0.01 -0.22 -0.04 2.34 2.10 2fq6B1 ALA 41 H 0.04 0.03 -0.20 -0.55 8.40 7.72 2fq6B1 ALA 41 HA 0.05 0.11 0.48 -0.75 4.34 4.23 2fq6B1 ALA 41 HB3 0.10 0.00 0.10 -0.04 1.41 1.58 2fq6B1 LYS 42 H -0.02 0.52 -0.15 -0.55 8.42 8.21 2fq6B1 LYS 42 HA -0.91 0.07 0.41 -0.75 4.32 3.14 2fq6B1 LYS 42 HB2 -0.30 -0.05 0.07 -0.04 1.87 1.55 2fq6B1 LYS 42 HB3 -0.15 0.08 0.16 -0.04 1.79 1.84 2fq6B1 LYS 42 HG2 -0.24 0.03 -0.18 -0.04 1.46 1.02 2fq6B1 LYS 42 HG3 -0.90 0.01 0.04 -0.04 1.46 0.57 2fq6B1 LYS 42 HD2 -0.03 0.01 0.01 -0.04 1.69 1.64 2fq6B1 LYS 42 HD3 -0.03 -0.04 -0.02 -0.04 1.68 1.55 2fq6B1 LYS 42 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.93 2fq6B1 LYS 42 HE3 -0.06 0.01 -0.03 -0.04 2.99 2.87 2fq6B1 LYS 43 H -0.06 0.44 -0.19 -0.55 8.42 8.05 2fq6B1 LYS 43 HA -0.07 0.06 0.54 -0.75 4.32 4.09 2fq6B1 LYS 43 HB2 -0.01 0.06 0.19 -0.04 1.87 2.07 2fq6B1 LYS 43 HB3 -0.03 -0.02 0.07 -0.04 1.79 1.77 2fq6B1 LYS 43 HG2 -0.05 -0.02 0.02 -0.04 1.46 1.37 2fq6B1 LYS 43 HG3 -0.04 0.20 0.10 -0.04 1.46 1.67 2fq6B1 LYS 43 HD2 -0.01 -0.06 -0.07 -0.04 1.69 1.50 2fq6B1 LYS 43 HD3 -0.02 0.01 -0.00 -0.04 1.68 1.62 2fq6B1 LYS 43 HE2 -0.02 0.02 -0.01 -0.04 2.99 2.95 2fq6B1 LYS 43 HE3 -0.02 -0.01 -0.00 -0.04 2.99 2.91 2fq6B1 HIS 44 H 0.09 0.50 -0.04 -0.55 8.41 8.41 2fq6B1 HIS 44 HA -0.03 0.03 0.45 -0.75 4.63 4.32 2fq6B1 HIS 44 HB2 -0.00 0.03 0.13 -0.04 3.26 3.39 2fq6B1 HIS 44 HB3 0.02 0.06 0.14 -0.04 3.20 3.38 2fq6B1 HIS 44 HD2 -0.00 -0.02 0.00 -0.04 6.97 6.91 2fq6B1 HIS 44 HE1 0.01 0.02 -0.05 -0.04 7.75 7.69 2fq6B1 ALA 45 H 0.09 0.51 -0.22 -0.55 8.40 8.23 2fq6B1 ALA 45 HA 0.17 0.02 0.37 -0.75 4.34 4.15 2fq6B1 ALA 45 HB3 0.32 0.03 0.05 -0.04 1.41 1.76 2fq6B1 THR 46 H -0.05 0.41 -0.23 -0.55 8.28 7.86 2fq6B1 THR 46 HA -0.67 0.01 0.45 -0.75 4.39 3.43 2fq6B1 THR 46 HB -0.10 0.10 0.23 -0.04 4.32 4.51 2fq6B1 THR 46 HG23 -0.13 -0.02 -0.05 -0.04 1.22 0.97 2fq6B1 ARG 47 H -0.14 0.51 -0.10 -0.55 8.46 8.17 2fq6B1 ARG 47 HA -0.16 0.01 0.39 -0.75 4.34 3.82 2fq6B1 ARG 47 HB2 -0.14 -0.01 0.12 -0.04 1.90 1.83 2fq6B1 ARG 47 HB3 -0.22 0.11 0.11 -0.04 1.80 1.76 2fq6B1 ARG 47 HG2 -0.13 -0.05 0.01 -0.04 1.67 1.47 2fq6B1 ARG 47 HG3 -0.18 0.01 -0.09 -0.04 1.67 1.37 2fq6B1 ARG 47 HD2 -0.10 -0.03 0.02 -0.04 3.22 3.08 2fq6B1 ARG 47 HD3 -0.13 0.01 0.17 -0.04 3.22 3.23 2fq6B1 ASN 48 H -0.16 0.29 -0.58 -0.55 8.53 7.54 2fq6B1 ASN 48 HA -0.13 0.13 0.70 -0.75 4.76 4.70 2fq6B1 ASN 48 HB2 -0.05 0.13 0.06 -0.04 2.88 2.97 2fq6B1 ASN 48 HB3 -0.05 -0.09 0.09 -0.04 2.79 2.70 2fq6B1 ASN 48 HD21 -0.55 -0.09 -0.03 -0.04 7.03 6.32 2fq6B1 ASN 48 HD22 -0.54 0.50 0.08 -0.04 7.74 7.74 2fq6B1 ARG 49 H -0.27 0.43 -0.32 -0.55 8.46 7.75 2fq6B1 ARG 49 HA -0.08 0.13 0.31 -0.75 4.34 3.95 2fq6B1 ARG 49 HB2 -0.78 -0.14 0.11 -0.04 1.90 1.04 2fq6B1 ARG 49 HB3 -0.92 0.19 0.23 -0.04 1.80 1.26 2fq6B1 ARG 49 HG2 -0.38 -0.02 -0.00 -0.04 1.67 1.23 2fq6B1 ARG 49 HG3 -0.39 -0.06 -0.18 -0.04 1.67 1.00 2fq6B1 ARG 49 HD2 -0.36 -0.06 -0.02 -0.04 3.22 2.74 2fq6B1 ARG 49 HD3 -1.28 -0.07 0.04 -0.04 3.22 1.86 2fq6B1 ALA 50 H -0.20 0.16 -0.25 -0.55 8.40 7.57 2fq6B1 ALA 50 HA -0.14 0.21 0.86 -0.75 4.34 4.52 2fq6B1 ALA 50 HB3 -0.27 0.01 0.07 -0.04 1.41 1.17 2fq6B1 ASN 51 H -0.11 0.44 -0.35 -0.55 8.53 7.96 2fq6B1 ASN 51 HA 0.05 0.18 0.69 -0.75 4.76 4.92 2fq6B1 ASN 51 HB2 -0.07 -0.03 -0.15 -0.04 2.88 2.58 2fq6B1 ASN 51 HB3 -0.07 0.04 0.09 -0.04 2.79 2.81 2fq6B1 ASN 51 HD21 -0.00 -0.02 0.03 -0.04 7.03 6.99 2fq6B1 ASN 51 HD22 -0.04 -0.01 0.03 -0.04 7.74 7.67 2fq6B1 GLY 52 H -0.28 0.17 -0.15 -0.55 8.43 7.62 2fq6B1 GLY 52 HA2 -1.38 -0.01 0.20 -0.51 4.01 2.30 2fq6B1 GLY 52 HA3 -0.36 0.08 0.36 -0.51 4.01 3.59 2fq6B1 GLU 53 H -0.12 0.33 -0.23 -0.55 8.60 8.04 2fq6B1 GLU 53 HA 0.13 0.10 0.88 -0.75 4.29 4.64 2fq6B1 GLU 53 HB2 0.08 0.02 -0.05 -0.04 2.09 2.09 2fq6B1 GLU 53 HB3 0.10 0.07 -0.14 -0.04 1.99 1.97 2fq6B1 GLU 53 HG2 0.24 0.15 -0.18 -0.04 2.34 2.51 2fq6B1 GLU 53 HG3 0.18 -0.08 0.03 -0.04 2.34 2.43 2fq6B1 LEU 54 H 0.31 0.09 0.04 -0.55 8.37 8.26 2fq6B1 LEU 54 HA 0.40 0.08 0.36 -0.75 4.35 4.43 2fq6B1 LEU 54 HB2 0.20 0.00 0.09 -0.04 1.64 1.89 2fq6B1 LEU 54 HB3 0.14 -0.02 -0.05 -0.04 1.64 1.67 2fq6B1 LEU 54 HG 0.32 0.04 0.03 -0.04 1.64 1.99 2fq6B1 LEU 54 HD13 0.10 -0.00 0.02 -0.04 0.93 1.00 2fq6B1 LEU 54 HD23 0.07 0.00 -0.02 -0.04 0.89 0.89 2fq6B1 PHE 55 H 0.36 0.09 0.15 -0.55 8.34 8.40 2fq6B1 PHE 55 HA 0.47 0.11 0.68 -0.75 4.62 5.13 2fq6B1 PHE 55 HB2 0.19 0.16 -0.23 -0.04 3.15 3.23 2fq6B1 PHE 55 HB3 0.18 0.05 0.12 -0.04 3.06 3.37 2fq6B1 PHE 55 HD2 0.16 -0.03 -0.14 -0.04 7.28 7.23 2fq6B1 PHE 55 HE2 0.03 -0.02 -0.03 -0.04 7.38 7.32 2fq6B1 PHE 55 HZ 0.04 -0.02 -0.02 -0.04 7.32 7.28 2fq6B1 TYR 56 H 0.35 0.34 0.23 -0.55 8.29 8.65 2fq6B1 TYR 56 HA -0.10 0.12 0.62 -0.75 4.56 4.45 2fq6B1 TYR 56 HB2 -0.39 0.17 -0.07 -0.04 3.06 2.73 2fq6B1 TYR 56 HB3 0.14 -0.01 0.05 -0.04 2.98 3.11 2fq6B1 TYR 56 HD2 0.02 0.03 0.07 -0.04 7.15 7.23 2fq6B1 TYR 56 HE2 -0.01 -0.00 -0.12 -0.04 6.85 6.67 2fq6B1 GLY 57 H -0.68 0.69 0.18 -0.55 8.43 8.07 2fq6B1 GLY 57 HA2 -0.20 0.01 0.30 -0.51 4.01 3.61 2fq6B1 GLY 57 HA3 -0.40 0.15 0.43 -0.51 4.01 3.68 2fq6B1 ARG 58 H -0.65 0.02 -0.39 -0.55 8.46 6.90 2fq6B1 ARG 58 HA -0.09 0.08 0.32 -0.75 4.34 3.89 2fq6B1 ARG 58 HB2 0.10 -0.08 0.04 -0.04 1.90 1.93 2fq6B1 ARG 58 HB3 0.40 0.01 -0.02 -0.04 1.80 2.16 2fq6B1 ARG 58 HG2 -0.02 0.10 -0.06 -0.04 1.67 1.65 2fq6B1 ARG 58 HG3 -0.04 -0.01 -0.02 -0.04 1.67 1.56 2fq6B1 ARG 58 HD2 -0.67 0.05 -0.03 -0.04 3.22 2.53 2fq6B1 ARG 58 HD3 -0.25 0.04 0.01 -0.04 3.22 2.98 2fq6B1 ARG 59 H 0.20 0.13 -0.11 -0.55 8.46 8.12 2fq6B1 ARG 59 HA 0.15 0.14 0.78 -0.75 4.34 4.65 2fq6B1 ARG 59 HB2 0.26 0.00 0.20 -0.04 1.90 2.32 2fq6B1 ARG 59 HB3 0.14 0.10 0.16 -0.04 1.80 2.16 2fq6B1 ARG 59 HG2 0.20 -0.13 0.01 -0.04 1.67 1.71 2fq6B1 ARG 59 HG3 0.26 -0.05 0.07 -0.04 1.67 1.91 2fq6B1 ARG 59 HD2 -0.20 0.20 0.07 -0.04 3.22 3.25 2fq6B1 ARG 59 HD3 -0.53 0.01 0.05 -0.04 3.22 2.71 2fq6B1 GLY 60 H -0.08 0.11 -0.38 -0.55 8.43 7.53 2fq6B1 GLY 60 HA2 -0.68 -0.01 0.34 -0.51 4.01 3.15 2fq6B1 GLY 60 HA3 -0.13 0.18 0.85 -0.51 4.01 4.40 2fq6B1 THR 61 H 0.47 -0.02 0.19 -0.55 8.28 8.37 2fq6B1 THR 61 HA -0.30 0.29 0.81 -0.75 4.39 4.43 2fq6B1 THR 61 HB -0.09 -0.04 0.18 -0.04 4.32 4.32 2fq6B1 THR 61 HG23 -0.02 0.05 -0.09 -0.04 1.22 1.12 2fq6B1 LEU 62 H -0.16 0.20 0.15 -0.55 8.37 8.02 2fq6B1 LEU 62 HA -0.10 0.15 0.40 -0.75 4.35 4.04 2fq6B1 LEU 62 HB2 0.02 -0.06 0.14 -0.04 1.64 1.69 2fq6B1 LEU 62 HB3 0.23 0.11 0.11 -0.04 1.64 2.05 2fq6B1 LEU 62 HG 0.08 -0.09 0.10 -0.04 1.64 1.69 2fq6B1 LEU 62 HD13 0.09 0.03 0.05 -0.04 0.93 1.06 2fq6B1 LEU 62 HD23 0.37 0.05 0.05 -0.04 0.89 1.31 2fq6B1 THR 63 H -0.19 -0.02 -0.20 -0.55 8.28 7.32 2fq6B1 THR 63 HA -0.13 0.22 0.36 -0.75 4.39 4.08 2fq6B1 THR 63 HB -0.34 -0.09 0.12 -0.04 4.32 3.96 2fq6B1 THR 63 HG23 -0.09 0.04 -0.01 -0.04 1.22 1.12 2fq6B1 HIS 64 H -0.31 -0.01 -0.15 -0.55 8.41 7.39 2fq6B1 HIS 64 HA -0.07 0.04 0.53 -0.75 4.63 4.38 2fq6B1 HIS 64 HB2 -0.19 0.13 0.15 -0.04 3.26 3.31 2fq6B1 HIS 64 HB3 0.00 0.09 0.05 -0.04 3.20 3.30 2fq6B1 HIS 64 HD2 -0.03 -0.01 -0.04 -0.04 6.97 6.85 2fq6B1 HIS 64 HE1 -0.09 -0.03 0.13 -0.04 7.75 7.71 2fq6B1 PHE 65 H -0.36 0.53 -0.12 -0.55 8.34 7.84 2fq6B1 PHE 65 HA -0.03 0.04 0.26 -0.75 4.62 4.13 2fq6B1 PHE 65 HB2 -0.21 0.05 0.06 -0.04 3.15 3.02 2fq6B1 PHE 65 HB3 0.06 -0.00 0.04 -0.04 3.06 3.11 2fq6B1 PHE 65 HD2 0.17 -0.04 -0.11 -0.04 7.28 7.26 2fq6B1 PHE 65 HE2 0.11 0.05 -0.33 -0.04 7.38 7.16 2fq6B1 PHE 65 HZ 0.11 0.10 -0.47 -0.04 7.32 7.02 2fq6B1 SER 66 H -0.46 0.42 -0.28 -0.55 8.46 7.60 2fq6B1 SER 66 HA -0.52 0.02 0.54 -0.75 4.49 3.78 2fq6B1 SER 66 HB2 -0.58 0.01 0.17 -0.04 3.95 3.51 2fq6B1 SER 66 HB3 -0.22 0.05 0.17 -0.04 3.93 3.89 2fq6B1 LEU 67 H -0.12 0.41 -0.05 -0.55 8.37 8.06 2fq6B1 LEU 67 HA -0.05 0.06 0.45 -0.75 4.35 4.06 2fq6B1 LEU 67 HB2 -0.06 0.07 0.12 -0.04 1.64 1.73 2fq6B1 LEU 67 HB3 -0.02 0.07 0.17 -0.04 1.64 1.82 2fq6B1 LEU 67 HG 0.01 -0.02 -0.33 -0.04 1.64 1.25 2fq6B1 LEU 67 HD13 -0.02 -0.01 -0.07 -0.04 0.93 0.79 2fq6B1 LEU 67 HD23 0.01 -0.01 -0.04 -0.04 0.89 0.81 2fq6B1 GLN 68 H 0.02 0.71 -0.12 -0.55 8.47 8.53 2fq6B1 GLN 68 HA 0.02 -0.06 0.40 -0.75 4.36 3.96 2fq6B1 GLN 68 HB2 0.10 0.11 0.10 -0.04 2.15 2.42 2fq6B1 GLN 68 HB3 0.04 -0.05 -0.01 -0.04 2.02 1.97 2fq6B1 GLN 68 HG2 0.08 0.01 -0.02 -0.04 2.40 2.43 2fq6B1 GLN 68 HG3 0.11 -0.02 -0.01 -0.04 2.39 2.43 2fq6B1 GLN 68 HE21 0.19 0.03 0.06 -0.04 6.97 7.22 2fq6B1 GLN 68 HE22 0.15 0.35 0.18 -0.04 7.69 8.32 2fq6B1 GLN 69 H -0.01 0.64 -0.10 -0.55 8.47 8.46 2fq6B1 GLN 69 HA -0.01 0.02 0.47 -0.75 4.36 4.09 2fq6B1 GLN 69 HB2 0.10 0.06 0.15 -0.04 2.15 2.42 2fq6B1 GLN 69 HB3 0.04 0.14 0.23 -0.04 2.02 2.39 2fq6B1 GLN 69 HG2 0.06 -0.07 -0.15 -0.04 2.40 2.19 2fq6B1 GLN 69 HG3 0.05 0.00 0.04 -0.04 2.39 2.44 2fq6B1 GLN 69 HE21 0.16 -0.08 -0.05 -0.04 6.97 6.97 2fq6B1 GLN 69 HE22 0.11 -0.11 -0.02 -0.04 7.69 7.63 2fq6B1 ALA 70 H -0.01 0.56 -0.20 -0.55 8.40 8.20 2fq6B1 ALA 70 HA 0.00 -0.08 0.31 -0.75 4.34 3.82 2fq6B1 ALA 70 HB3 -0.01 0.06 -0.10 -0.04 1.41 1.31 2fq6B1 MET 71 H -0.01 0.72 -0.08 -0.55 8.47 8.54 2fq6B1 MET 71 HA -0.00 0.02 0.45 -0.75 4.52 4.24 2fq6B1 MET 71 HB2 -0.00 0.10 0.05 -0.04 2.15 2.26 2fq6B1 MET 71 HB3 0.01 -0.10 -0.06 -0.04 2.03 1.84 2fq6B1 MET 71 HG2 0.01 0.23 -0.06 -0.04 2.63 2.77 2fq6B1 MET 71 HG3 0.03 -0.11 -0.12 -0.04 2.56 2.32 2fq6B1 MET 71 HE3 0.03 -0.02 -0.09 -0.04 2.10 1.98 2fq6B1 CYS 72 H -0.05 0.59 -0.21 -0.55 8.50 8.29 2fq6B1 CYS 72 HA -0.08 -0.12 0.30 -0.75 4.58 3.92 2fq6B1 CYS 72 HB2 -0.09 0.10 0.08 -0.04 2.97 3.03 2fq6B1 CYS 72 HB3 -0.13 0.18 -0.10 -0.04 2.97 2.88 2fq6B1 GLU 73 H -0.03 0.51 -0.19 -0.55 8.60 8.35 2fq6B1 GLU 73 HA -0.03 0.04 0.48 -0.75 4.29 4.02 2fq6B1 GLU 73 HB2 -0.01 0.14 0.19 -0.04 2.09 2.37 2fq6B1 GLU 73 HB3 -0.01 -0.03 -0.05 -0.04 1.99 1.86 2fq6B1 GLU 73 HG2 -0.01 -0.03 0.03 -0.04 2.34 2.29 2fq6B1 GLU 73 HG3 -0.00 0.20 0.06 -0.04 2.34 2.55 2fq6B1 LEU 74 H -0.01 0.61 -0.05 -0.55 8.37 8.38 2fq6B1 LEU 74 HA -0.01 0.05 0.38 -0.75 4.35 4.02 2fq6B1 LEU 74 HB2 0.00 -0.01 0.10 -0.04 1.64 1.70 2fq6B1 LEU 74 HB3 0.01 -0.05 -0.01 -0.04 1.64 1.55 2fq6B1 LEU 74 HG -0.00 0.11 0.05 -0.04 1.64 1.77 2fq6B1 LEU 74 HD13 0.01 -0.02 -0.07 -0.04 0.93 0.81 2fq6B1 LEU 74 HD23 0.00 -0.01 -0.12 -0.04 0.89 0.72 2fq6B1 GLU 75 H -0.02 0.55 -0.16 -0.55 8.60 8.43 2fq6B1 GLU 75 HA -0.02 0.21 0.79 -0.75 4.29 4.52 2fq6B1 GLU 75 HB2 -0.01 0.05 0.01 -0.04 2.09 2.10 2fq6B1 GLU 75 HB3 -0.01 -0.14 0.07 -0.04 1.99 1.87 2fq6B1 GLU 75 HG2 0.01 0.28 -0.05 -0.04 2.34 2.54 2fq6B1 GLU 75 HG3 0.01 0.02 -0.06 -0.04 2.34 2.27 2fq6B1 GLY 76 H -0.03 0.31 -0.37 -0.55 8.43 7.79 2fq6B1 GLY 76 HA2 -0.04 0.08 0.33 -0.51 4.01 3.88 2fq6B1 GLY 76 HA3 -0.04 -0.03 0.39 -0.51 4.01 3.83 2fq6B1 GLY 77 H -0.07 0.24 0.04 -0.55 8.43 8.09 2fq6B1 GLY 77 HA2 -0.07 0.12 0.67 -0.51 4.01 4.23 2fq6B1 GLY 77 HA3 -0.10 -0.06 0.19 -0.51 4.01 3.54 2fq6B1 ALA 78 H -0.13 0.53 0.35 -0.55 8.40 8.60 2fq6B1 ALA 78 HA -0.22 0.16 0.73 -0.75 4.34 4.26 2fq6B1 ALA 78 HB3 -0.05 -0.02 -0.07 -0.04 1.41 1.23 2fq6B1 GLY 79 H -0.45 0.28 0.15 -0.55 8.43 7.86 2fq6B1 GLY 79 HA2 -0.99 0.15 0.49 -0.51 4.01 3.15 2fq6B1 GLY 79 HA3 -2.59 0.05 0.27 -0.51 4.01 1.22 2fq6B1 CYS 80 H -0.18 0.28 0.14 -0.55 8.50 8.19 2fq6B1 CYS 80 HA 0.02 0.23 0.95 -0.75 4.58 5.02 2fq6B1 CYS 80 HB2 -0.04 0.02 -0.08 -0.04 2.97 2.83 2fq6B1 CYS 80 HB3 0.00 -0.03 0.11 -0.04 2.97 3.01 2fq6B1 VAL 81 H 0.18 0.61 0.28 -0.55 8.24 8.76 2fq6B1 VAL 81 HA 0.08 0.22 0.90 -0.75 4.13 4.59 2fq6B1 VAL 81 HB 0.27 -0.06 0.03 -0.04 2.12 2.31 2fq6B1 VAL 81 HG13 -0.29 0.05 -0.10 -0.04 0.97 0.59 2fq6B1 VAL 81 HG23 0.33 0.01 -0.20 -0.04 0.95 1.05 2fq6B1 LEU 82 H -0.19 0.27 0.12 -0.55 8.37 8.02 2fq6B1 LEU 82 HA 0.04 0.23 0.88 -0.75 4.35 4.75 2fq6B1 LEU 82 HB2 -0.04 0.02 0.01 -0.04 1.64 1.59 2fq6B1 LEU 82 HB3 0.04 -0.04 -0.01 -0.04 1.64 1.58 2fq6B1 LEU 82 HG 0.05 0.07 -0.21 -0.04 1.64 1.51 2fq6B1 LEU 82 HD13 0.14 0.00 -0.03 -0.04 0.93 1.00 2fq6B1 LEU 82 HD23 0.07 0.00 -0.18 -0.04 0.89 0.74 2fq6B1 PHE 83 H 0.17 0.47 0.25 -0.55 8.34 8.68 2fq6B1 PHE 83 HA 0.04 0.27 0.67 -0.75 4.62 4.85 2fq6B1 PHE 83 HB2 0.03 -0.17 -0.07 -0.04 3.15 2.90 2fq6B1 PHE 83 HB3 0.02 -0.06 -0.08 -0.04 3.06 2.90 2fq6B1 PHE 83 HD2 0.04 -0.02 -0.41 -0.04 7.28 6.85 2fq6B1 PHE 83 HE2 0.07 0.03 -0.24 -0.04 7.38 7.20 2fq6B1 PHE 83 HZ 0.10 0.07 -0.20 -0.04 7.32 7.24 2fq6B1 PRO 84 HA 0.07 0.10 0.56 -0.51 4.44 4.66 2fq6B1 PRO 84 HB2 0.05 -0.03 0.02 -0.04 2.28 2.28 2fq6B1 PRO 84 HB3 0.05 0.13 0.20 -0.04 2.02 2.36 2fq6B1 PRO 84 HG2 0.09 -0.15 0.08 -0.04 2.03 2.01 2fq6B1 PRO 84 HG3 0.07 0.15 0.10 -0.04 2.03 2.31 2fq6B1 PRO 84 HD2 0.27 0.07 0.23 -0.04 3.68 4.21 2fq6B1 PRO 84 HD3 0.09 0.41 0.28 -0.04 3.65 4.38 2fq6B1 CYS 85 H 0.12 0.28 -0.20 -0.55 8.50 8.14 2fq6B1 CYS 85 HA 0.02 -0.00 0.15 -0.75 4.58 4.00 2fq6B1 CYS 85 HB2 -0.00 -0.09 0.12 -0.04 2.97 2.96 2fq6B1 CYS 85 HB3 0.01 0.31 -0.14 -0.04 2.97 3.12 2fq6B1 GLY 86 H -0.03 0.19 0.09 -0.55 8.43 8.14 2fq6B1 GLY 86 HA2 -0.02 0.19 0.54 -0.51 4.01 4.21 2fq6B1 GLY 86 HA3 -0.05 0.04 0.36 -0.51 4.01 3.85 2fq6B1 ALA 87 H 0.01 0.12 -0.10 -0.55 8.40 7.89 2fq6B1 ALA 87 HA 0.03 0.08 0.45 -0.75 4.34 4.14 2fq6B1 ALA 87 HB3 0.06 0.04 -0.02 -0.04 1.41 1.45 2fq6B1 ALA 88 H -0.02 -0.00 -0.39 -0.55 8.40 7.44 2fq6B1 ALA 88 HA -0.08 0.14 0.47 -0.75 4.34 4.11 2fq6B1 ALA 88 HB3 0.09 0.01 0.05 -0.04 1.41 1.52 2fq6B1 ALA 89 H -0.20 0.33 -0.19 -0.55 8.40 7.79 2fq6B1 ALA 89 HA -2.34 0.11 0.18 -0.75 4.34 1.54 2fq6B1 ALA 89 HB3 -0.22 -0.01 -0.05 -0.04 1.41 1.09 2fq6B1 VAL 90 H -0.17 0.44 -0.18 -0.55 8.24 7.79 2fq6B1 VAL 90 HA -0.01 0.05 0.36 -0.75 4.13 3.79 2fq6B1 VAL 90 HB -0.07 0.04 0.10 -0.04 2.12 2.15 2fq6B1 VAL 90 HG13 -0.14 0.00 -0.19 -0.04 0.97 0.60 2fq6B1 VAL 90 HG23 0.16 0.00 -0.05 -0.04 0.95 1.03 2fq6B1 ALA 91 H -0.34 0.57 -0.04 -0.55 8.40 8.04 2fq6B1 ALA 91 HA -1.63 0.03 0.31 -0.75 4.34 2.29 2fq6B1 ALA 91 HB3 -0.63 0.01 0.06 -0.04 1.41 0.81 2fq6B1 ASN 92 H -0.31 0.49 -0.25 -0.55 8.53 7.91 2fq6B1 ASN 92 HA -0.03 0.07 0.34 -0.75 4.76 4.38 2fq6B1 ASN 92 HB2 -0.09 0.17 0.07 -0.04 2.88 2.99 2fq6B1 ASN 92 HB3 0.27 0.01 -0.02 -0.04 2.79 3.01 2fq6B1 ASN 92 HD21 0.04 -0.01 -0.01 -0.04 7.03 7.01 2fq6B1 ASN 92 HD22 -0.02 0.11 0.10 -0.04 7.74 7.89 2fq6B1 SER 93 H -0.22 0.50 -0.22 -0.55 8.46 7.97 2fq6B1 SER 93 HA 0.20 0.04 0.39 -0.75 4.49 4.37 2fq6B1 SER 93 HB2 0.05 0.05 0.10 -0.04 3.95 4.11 2fq6B1 SER 93 HB3 0.18 -0.06 -0.08 -0.04 3.93 3.93 2fq6B1 ILE 94 H 0.02 0.47 -0.21 -0.55 8.25 7.98 2fq6B1 ILE 94 HA 0.24 0.03 0.36 -0.75 4.18 4.06 2fq6B1 ILE 94 HB 0.16 0.09 0.09 -0.04 1.89 2.18 2fq6B1 ILE 94 HG12 0.22 -0.03 -0.08 -0.04 1.49 1.56 2fq6B1 ILE 94 HG13 0.21 -0.03 -0.05 -0.04 1.21 1.31 2fq6B1 ILE 94 HG23 0.27 -0.01 -0.21 -0.04 0.93 0.94 2fq6B1 ILE 94 HD13 -0.15 -0.02 -0.12 -0.04 0.88 0.55 2fq6B1 LEU 95 H 0.10 0.56 -0.10 -0.55 8.37 8.39 2fq6B1 LEU 95 HA 0.21 -0.01 0.28 -0.75 4.35 4.08 2fq6B1 LEU 95 HB2 0.24 -0.00 0.05 -0.04 1.64 1.89 2fq6B1 LEU 95 HB3 0.09 0.05 0.05 -0.04 1.64 1.80 2fq6B1 LEU 95 HG 0.09 0.06 -0.20 -0.04 1.64 1.55 2fq6B1 LEU 95 HD13 0.14 -0.02 -0.04 -0.04 0.93 0.97 2fq6B1 LEU 95 HD23 0.09 -0.01 -0.08 -0.04 0.89 0.85 2fq6B1 ALA 96 H 0.11 0.45 -0.38 -0.55 8.40 8.02 2fq6B1 ALA 96 HA -0.04 -0.00 0.27 -0.75 4.34 3.81 2fq6B1 ALA 96 HB3 -0.08 0.03 0.03 -0.04 1.41 1.35 2fq6B1 PHE 97 H 0.24 0.35 -0.48 -0.55 8.34 7.89 2fq6B1 PHE 97 HA 0.06 0.17 0.89 -0.75 4.62 4.97 2fq6B1 PHE 97 HB2 0.08 0.04 0.02 -0.04 3.15 3.24 2fq6B1 PHE 97 HB3 0.06 -0.02 0.08 -0.04 3.06 3.14 2fq6B1 PHE 97 HD2 0.07 0.17 -0.01 -0.04 7.28 7.47 2fq6B1 PHE 97 HE2 0.09 -0.05 -0.03 -0.04 7.38 7.34 2fq6B1 PHE 97 HZ 0.10 0.12 0.06 -0.04 7.32 7.56 2fq6B1 ILE 98 H 0.13 0.32 -0.09 -0.55 8.25 8.06 2fq6B1 ILE 98 HA 0.11 0.22 0.98 -0.75 4.18 4.73 2fq6B1 ILE 98 HB 0.06 -0.02 0.01 -0.04 1.89 1.90 2fq6B1 ILE 98 HG12 0.09 -0.12 -0.16 -0.04 1.49 1.27 2fq6B1 ILE 98 HG13 0.14 0.17 0.05 -0.04 1.21 1.53 2fq6B1 ILE 98 HG23 0.09 -0.02 -0.14 -0.04 0.93 0.82 2fq6B1 ILE 98 HD13 0.07 -0.01 -0.21 -0.04 0.88 0.68 2fq6B1 GLU 99 H 0.05 0.27 0.20 -0.55 8.60 8.57 2fq6B1 GLU 99 HA 0.03 0.12 0.69 -0.75 4.29 4.38 2fq6B1 GLU 99 HB2 0.04 -0.02 -0.05 -0.04 2.09 2.02 2fq6B1 GLU 99 HB3 0.03 0.05 -0.01 -0.04 1.99 2.02 2fq6B1 GLU 99 HG2 0.02 0.02 0.00 -0.04 2.34 2.35 2fq6B1 GLU 99 HG3 0.04 0.05 -0.42 -0.04 2.34 1.97 2fq6B1 GLN 100 H 0.02 0.08 0.14 -0.55 8.47 8.16 2fq6B1 GLN 100 HA 0.01 0.15 0.40 -0.75 4.36 4.16 2fq6B1 GLN 100 HB2 0.01 -0.01 0.13 -0.04 2.15 2.24 2fq6B1 GLN 100 HB3 0.01 0.06 0.18 -0.04 2.02 2.22 2fq6B1 GLN 100 HG2 0.01 -0.06 0.12 -0.04 2.40 2.42 2fq6B1 GLN 100 HG3 0.01 0.02 -0.09 -0.04 2.39 2.29 2fq6B1 GLN 100 HE21 0.01 -0.04 -0.01 -0.04 6.97 6.88 2fq6B1 GLN 100 HE22 0.01 0.05 -0.01 -0.04 7.69 7.70 2fq6B1 GLY 101 H 0.01 0.80 0.39 -0.55 8.43 9.09 2fq6B1 GLY 101 HA2 0.01 -0.04 0.45 -0.51 4.01 3.92 2fq6B1 GLY 101 HA3 0.02 0.05 0.68 -0.51 4.01 4.25 2fq6B1 ASP 102 H 0.03 0.32 -0.02 -0.55 8.40 8.18 2fq6B1 ASP 102 HA 0.05 0.20 0.74 -0.75 4.63 4.86 2fq6B1 ASP 102 HB2 0.04 0.02 0.14 -0.04 2.71 2.87 2fq6B1 ASP 102 HB3 0.04 -0.05 0.10 -0.04 2.70 2.75 2fq6B1 HIS 103 H 0.10 0.55 0.33 -0.55 8.41 8.85 2fq6B1 HIS 103 HA -0.04 0.27 0.92 -0.75 4.63 5.03 2fq6B1 HIS 103 HB2 -0.02 0.02 -0.20 -0.04 3.26 3.02 2fq6B1 HIS 103 HB3 -0.01 -0.09 -0.33 -0.04 3.20 2.72 2fq6B1 HIS 103 HD2 -0.07 -0.04 -0.33 -0.04 6.97 6.49 2fq6B1 HIS 103 HE1 -0.00 0.15 -0.09 -0.04 7.75 7.76 2fq6B1 VAL 104 H -0.37 0.78 0.39 -0.55 8.24 8.49 2fq6B1 VAL 104 HA -0.19 0.11 0.99 -0.75 4.13 4.28 2fq6B1 VAL 104 HB -0.27 0.03 0.14 -0.04 2.12 1.99 2fq6B1 VAL 104 HG13 -0.14 -0.03 -0.22 -0.04 0.97 0.55 2fq6B1 VAL 104 HG23 -0.04 -0.00 -0.15 -0.04 0.95 0.71 2fq6B1 LEU 105 H -0.16 0.76 0.32 -0.55 8.37 8.74 2fq6B1 LEU 105 HA -0.27 0.22 0.96 -0.75 4.35 4.51 2fq6B1 LEU 105 HB2 -0.03 0.04 -0.06 -0.04 1.64 1.55 2fq6B1 LEU 105 HB3 -0.01 0.00 0.20 -0.04 1.64 1.79 2fq6B1 LEU 105 HG 0.15 -0.12 -0.29 -0.04 1.64 1.34 2fq6B1 LEU 105 HD13 0.17 0.03 -0.26 -0.04 0.93 0.83 2fq6B1 LEU 105 HD23 -0.03 0.03 -0.24 -0.04 0.89 0.61 2fq6B1 MET 106 H -0.19 0.67 0.33 -0.55 8.47 8.73 2fq6B1 MET 106 HA 0.24 0.16 1.09 -0.75 4.52 5.26 2fq6B1 MET 106 HB2 -0.12 -0.04 -0.20 -0.04 2.15 1.76 2fq6B1 MET 106 HB3 -0.37 0.07 -0.01 -0.04 2.03 1.69 2fq6B1 MET 106 HG2 0.28 0.25 -0.23 -0.04 2.63 2.89 2fq6B1 MET 106 HG3 0.24 -0.07 -0.02 -0.04 2.56 2.66 2fq6B1 MET 106 HE3 -0.72 -0.00 -0.15 -0.04 2.10 1.19 2fq6B1 THR 107 H 0.02 0.49 0.29 -0.55 8.28 8.53 2fq6B1 THR 107 HA -1.63 0.10 0.42 -0.75 4.39 2.54 2fq6B1 THR 107 HB -0.17 0.04 0.16 -0.04 4.32 4.30 2fq6B1 THR 107 HG23 0.17 -0.00 -0.02 -0.04 1.22 1.33 2fq6B1 ASN 108 H -0.21 0.70 0.34 -0.55 8.53 8.81 2fq6B1 ASN 108 HA 0.06 0.15 0.57 -0.75 4.76 4.79 2fq6B1 ASN 108 HB2 -0.14 -0.01 0.02 -0.04 2.88 2.71 2fq6B1 ASN 108 HB3 0.06 0.06 -0.02 -0.04 2.79 2.85 2fq6B1 ASN 108 HD21 0.02 -0.17 -0.21 -0.04 7.03 6.62 2fq6B1 ASN 108 HD22 0.02 0.40 -0.50 -0.04 7.74 7.61 2fq6B1 THR 109 H -0.04 -0.02 -0.34 -0.55 8.28 7.33 2fq6B1 THR 109 HA -0.02 0.32 0.83 -0.75 4.39 4.77 2fq6B1 THR 109 HB -0.03 -0.15 0.23 -0.04 4.32 4.32 2fq6B1 THR 109 HG23 -0.02 0.01 0.00 -0.04 1.22 1.17 2fq6B1 ALA 110 H 0.07 0.41 -0.39 -0.55 8.40 7.95 2fq6B1 ALA 110 HA 0.19 -0.10 0.45 -0.75 4.34 4.13 2fq6B1 ALA 110 HB3 0.20 0.01 -0.00 -0.04 1.41 1.58 2fq6B1 TYR 111 H 0.30 0.03 0.16 -0.55 8.29 8.24 2fq6B1 TYR 111 HA 0.06 0.06 0.51 -0.75 4.56 4.44 2fq6B1 TYR 111 HB2 0.14 0.03 0.17 -0.04 3.06 3.36 2fq6B1 TYR 111 HB3 0.10 -0.05 0.11 -0.04 2.98 3.11 2fq6B1 TYR 111 HD2 0.08 0.01 0.01 -0.04 7.15 7.21 2fq6B1 TYR 111 HE2 0.05 0.00 -0.01 -0.04 6.85 6.85 2fq6B1 GLU 112 H -0.25 0.11 0.16 -0.55 8.60 8.07 2fq6B1 GLU 112 HA -0.14 0.21 0.24 -0.75 4.29 3.84 2fq6B1 GLU 112 HB2 -0.13 0.10 0.13 -0.04 2.09 2.14 2fq6B1 GLU 112 HB3 -0.25 -0.04 0.13 -0.04 1.99 1.78 2fq6B1 GLU 112 HG2 -0.16 -0.07 -0.18 -0.04 2.34 1.89 2fq6B1 GLU 112 HG3 -0.14 0.07 0.04 -0.04 2.34 2.27 2fq6B1 PRO 113 HA -0.13 0.11 0.42 -0.51 4.44 4.33 2fq6B1 PRO 113 HB2 -0.12 -0.03 -0.07 -0.04 2.28 2.02 2fq6B1 PRO 113 HB3 -0.10 0.08 0.04 -0.04 2.02 2.00 2fq6B1 PRO 113 HG2 -0.53 -0.00 0.01 -0.04 2.03 1.47 2fq6B1 PRO 113 HG3 -0.33 0.12 0.02 -0.04 2.03 1.80 2fq6B1 PRO 113 HD2 -2.34 -0.02 -0.11 -0.04 3.68 1.18 2fq6B1 PRO 113 HD3 -0.80 0.12 0.12 -0.04 3.65 3.05 2fq6B1 SER 114 H -0.08 0.22 -0.46 -0.55 8.46 7.59 2fq6B1 SER 114 HA 0.01 0.04 0.44 -0.75 4.49 4.22 2fq6B1 SER 114 HB2 0.05 0.24 -0.01 -0.04 3.95 4.19 2fq6B1 SER 114 HB3 -0.22 0.03 -0.07 -0.04 3.93 3.63 2fq6B1 GLN 115 H 0.02 0.39 -0.15 -0.55 8.47 8.18 2fq6B1 GLN 115 HA 0.42 0.06 0.41 -0.75 4.36 4.49 2fq6B1 GLN 115 HB2 -0.09 0.09 0.11 -0.04 2.15 2.22 2fq6B1 GLN 115 HB3 -0.22 0.00 -0.04 -0.04 2.02 1.72 2fq6B1 GLN 115 HG2 0.19 -0.04 -0.06 -0.04 2.40 2.45 2fq6B1 GLN 115 HG3 -0.00 0.07 -0.16 -0.04 2.39 2.26 2fq6B1 GLN 115 HE21 -0.18 0.51 0.11 -0.04 6.97 7.37 2fq6B1 GLN 115 HE22 -0.06 0.19 -0.09 -0.04 7.69 7.69 2fq6B1 ASP 116 H -0.01 0.68 -0.01 -0.55 8.40 8.51 2fq6B1 ASP 116 HA 0.02 0.04 0.37 -0.75 4.63 4.31 2fq6B1 ASP 116 HB2 -0.02 -0.01 0.05 -0.04 2.71 2.69 2fq6B1 ASP 116 HB3 -0.01 -0.01 -0.03 -0.04 2.70 2.61 2fq6B1 PHE 117 H 0.16 0.52 -0.33 -0.55 8.34 8.14 2fq6B1 PHE 117 HA -0.01 0.01 0.48 -0.75 4.62 4.35 2fq6B1 PHE 117 HB2 -0.02 -0.05 0.09 -0.04 3.15 3.13 2fq6B1 PHE 117 HB3 -0.04 0.16 0.14 -0.04 3.06 3.27 2fq6B1 PHE 117 HD2 -0.04 0.03 -0.05 -0.04 7.28 7.18 2fq6B1 PHE 117 HE2 -0.01 0.02 -0.08 -0.04 7.38 7.27 2fq6B1 PHE 117 HZ 0.01 0.06 -0.05 -0.04 7.32 7.30 2fq6B1 CYS 118 H 0.09 0.39 -0.24 -0.55 8.50 8.19 2fq6B1 CYS 118 HA -0.42 -0.01 0.42 -0.75 4.58 3.81 2fq6B1 CYS 118 HB2 0.14 0.19 0.16 -0.04 2.97 3.42 2fq6B1 CYS 118 HB3 -0.15 -0.01 -0.04 -0.04 2.97 2.73 2fq6B1 SER 119 H 0.08 0.45 -0.08 -0.55 8.46 8.36 2fq6B1 SER 119 HA 0.06 0.10 0.29 -0.75 4.49 4.19 2fq6B1 SER 119 HB2 0.11 -0.01 0.04 -0.04 3.95 4.05 2fq6B1 SER 119 HB3 0.25 0.02 0.01 -0.04 3.93 4.17 2fq6B1 LYS 120 H -0.04 0.52 -0.11 -0.55 8.42 8.25 2fq6B1 LYS 120 HA -0.02 0.18 0.85 -0.75 4.32 4.57 2fq6B1 LYS 120 HB2 -0.01 0.07 0.06 -0.04 1.87 1.95 2fq6B1 LYS 120 HB3 -0.01 -0.04 0.04 -0.04 1.79 1.74 2fq6B1 LYS 120 HG2 -0.01 0.01 -0.04 -0.04 1.46 1.38 2fq6B1 LYS 120 HG3 -0.01 -0.06 -0.07 -0.04 1.46 1.28 2fq6B1 LYS 120 HD2 -0.01 -0.04 -0.02 -0.04 1.69 1.58 2fq6B1 LYS 120 HD3 -0.01 -0.01 -0.03 -0.04 1.68 1.59 2fq6B1 LYS 120 HE2 -0.02 -0.05 -0.03 -0.04 2.99 2.85 2fq6B1 LYS 120 HE3 -0.02 0.00 -0.03 -0.04 2.99 2.91 2fq6B1 ILE 121 H -0.20 0.49 0.01 -0.55 8.25 8.00 2fq6B1 ILE 121 HA -0.07 0.20 0.94 -0.75 4.18 4.50 2fq6B1 ILE 121 HB -0.48 0.11 0.19 -0.04 1.89 1.67 2fq6B1 ILE 121 HG12 0.03 -0.03 -0.01 -0.04 1.49 1.44 2fq6B1 ILE 121 HG13 0.20 -0.05 -0.01 -0.04 1.21 1.30 2fq6B1 ILE 121 HG23 0.04 -0.01 -0.12 -0.04 0.93 0.80 2fq6B1 ILE 121 HD13 0.03 0.03 -0.14 -0.04 0.88 0.76 2fq6B1 LEU 122 H -0.54 0.41 0.18 -0.55 8.37 7.87 2fq6B1 LEU 122 HA -0.19 0.02 0.31 -0.75 4.35 3.74 2fq6B1 LEU 122 HB2 -0.29 0.22 0.17 -0.04 1.64 1.69 2fq6B1 LEU 122 HB3 -0.16 0.02 -0.06 -0.04 1.64 1.39 2fq6B1 LEU 122 HG -1.10 -0.03 -0.06 -0.04 1.64 0.41 2fq6B1 LEU 122 HD13 -0.10 -0.02 -0.12 -0.04 0.93 0.65 2fq6B1 LEU 122 HD23 -0.04 -0.00 -0.12 -0.04 0.89 0.68 2fq6B1 SER 123 H -0.11 0.20 -0.43 -0.55 8.46 7.57 2fq6B1 SER 123 HA -0.04 0.30 0.28 -0.75 4.49 4.27 2fq6B1 SER 123 HB2 -0.01 -0.08 0.01 -0.04 3.95 3.83 2fq6B1 SER 123 HB3 -0.02 0.02 0.12 -0.04 3.93 4.01 2fq6B1 LYS 124 H -0.05 0.33 -0.42 -0.55 8.42 7.72 2fq6B1 LYS 124 HA -0.01 0.10 0.59 -0.75 4.32 4.24 2fq6B1 LYS 124 HB2 -0.01 -0.05 0.14 -0.04 1.87 1.91 2fq6B1 LYS 124 HB3 -0.02 -0.00 0.05 -0.04 1.79 1.78 2fq6B1 LYS 124 HG2 -0.04 0.33 0.04 -0.04 1.46 1.75 2fq6B1 LYS 124 HG3 -0.01 -0.06 -0.14 -0.04 1.46 1.21 2fq6B1 LYS 124 HD2 -0.01 -0.09 0.04 -0.04 1.69 1.59 2fq6B1 LYS 124 HD3 -0.02 0.17 0.11 -0.04 1.68 1.90 2fq6B1 LYS 124 HE2 -0.02 0.04 0.10 -0.04 2.99 3.07 2fq6B1 LYS 124 HE3 -0.00 -0.04 -0.00 -0.04 2.99 2.90 2fq6B1 LEU 125 H -0.04 0.45 -0.45 -0.55 8.37 7.78 2fq6B1 LEU 125 HA -0.01 0.14 0.78 -0.75 4.35 4.51 2fq6B1 LEU 125 HB2 -0.03 0.05 0.04 -0.04 1.64 1.67 2fq6B1 LEU 125 HB3 -0.00 -0.05 0.11 -0.04 1.64 1.66 2fq6B1 LEU 125 HG -0.03 0.15 -0.12 -0.04 1.64 1.60 2fq6B1 LEU 125 HD13 -0.00 -0.03 -0.12 -0.04 0.93 0.74 2fq6B1 LEU 125 HD23 0.00 0.01 -0.09 -0.04 0.89 0.77 2fq6B1 GLY 126 H -0.02 0.30 -0.36 -0.55 8.43 7.81 2fq6B1 GLY 126 HA2 -0.00 0.06 0.26 -0.51 4.01 3.81 2fq6B1 GLY 126 HA3 -0.00 0.00 0.43 -0.51 4.01 3.93 2fq6B1 VAL 127 H -0.03 0.39 -0.09 -0.55 8.24 7.97 2fq6B1 VAL 127 HA 0.00 0.24 0.93 -0.75 4.13 4.56 2fq6B1 VAL 127 HB -0.06 0.01 -0.03 -0.04 2.12 2.00 2fq6B1 VAL 127 HG13 -0.04 -0.00 -0.27 -0.04 0.97 0.62 2fq6B1 VAL 127 HG23 0.00 0.04 -0.33 -0.04 0.95 0.63 2fq6B1 THR 128 H 0.03 0.47 0.22 -0.55 8.28 8.45 2fq6B1 THR 128 HA -0.01 0.16 0.79 -0.75 4.39 4.58 2fq6B1 THR 128 HB 0.07 0.00 0.04 -0.04 4.32 4.39 2fq6B1 THR 128 HG23 0.02 0.01 -0.09 -0.04 1.22 1.12 2fq6B1 THR 129 H -0.05 0.26 0.20 -0.55 8.28 8.15 2fq6B1 THR 129 HA -0.40 0.32 1.09 -0.75 4.39 4.64 2fq6B1 THR 129 HB -0.29 -0.04 -0.00 -0.04 4.32 3.95 2fq6B1 THR 129 HG23 -1.19 -0.00 -0.11 -0.04 1.22 -0.12 2fq6B1 SER 130 H -0.46 0.51 0.38 -0.55 8.46 8.34 2fq6B1 SER 130 HA -0.40 0.15 0.59 -0.75 4.49 4.08 2fq6B1 SER 130 HB2 0.13 -0.02 0.19 -0.04 3.95 4.21 2fq6B1 SER 130 HB3 0.13 0.03 0.06 -0.04 3.93 4.11 2fq6B1 TRP 131 H 0.19 0.23 0.17 -0.55 7.97 8.01 2fq6B1 TRP 131 HA -0.01 0.32 0.94 -0.75 4.62 5.12 2fq6B1 TRP 131 HB2 -0.02 0.13 -0.20 -0.04 3.23 3.10 2fq6B1 TRP 131 HB3 -0.09 0.01 -0.03 -0.04 3.23 3.07 2fq6B1 TRP 131 HD1 0.03 -0.00 -0.08 -0.04 7.22 7.12 2fq6B1 TRP 131 HE1 0.00 0.06 -0.11 -0.04 10.20 10.12 2fq6B1 TRP 131 HE3 -0.08 0.14 -0.27 -0.04 7.59 7.35 2fq6B1 TRP 131 HZ2 -0.03 0.01 -0.11 -0.04 7.44 7.26 2fq6B1 TRP 131 HZ3 -0.07 -0.08 -0.11 -0.04 7.13 6.84 2fq6B1 TRP 131 HH2 -0.06 0.02 0.03 -0.04 7.19 7.14 2fq6B1 PHE 132 H -0.17 0.29 0.21 -0.55 8.34 8.12 2fq6B1 PHE 132 HA -0.20 0.25 0.83 -0.75 4.62 4.74 2fq6B1 PHE 132 HB2 -0.26 -0.02 0.02 -0.04 3.15 2.85 2fq6B1 PHE 132 HB3 -0.49 0.10 -0.19 -0.04 3.06 2.43 2fq6B1 PHE 132 HD2 -0.04 0.15 -0.37 -0.04 7.28 6.99 2fq6B1 PHE 132 HE2 -0.12 0.04 -0.25 -0.04 7.38 7.00 2fq6B1 PHE 132 HZ -0.12 -0.01 -0.14 -0.04 7.32 7.01 2fq6B1 ASP 133 H 0.17 0.19 0.15 -0.55 8.40 8.36 2fq6B1 ASP 133 HA 0.06 0.16 0.49 -0.75 4.63 4.59 2fq6B1 ASP 133 HB2 0.11 0.15 0.13 -0.04 2.71 3.06 2fq6B1 ASP 133 HB3 0.16 -0.05 0.08 -0.04 2.70 2.85 2fq6B1 PRO 134 HA 0.43 0.09 0.29 -0.51 4.44 4.74 2fq6B1 PRO 134 HB2 0.05 0.05 -0.14 -0.04 2.28 2.21 2fq6B1 PRO 134 HB3 0.06 -0.00 0.09 -0.04 2.02 2.12 2fq6B1 PRO 134 HG2 0.07 0.03 0.00 -0.04 2.03 2.09 2fq6B1 PRO 134 HG3 0.01 0.05 0.04 -0.04 2.03 2.09 2fq6B1 PRO 134 HD2 0.06 0.15 0.20 -0.04 3.68 4.05 2fq6B1 PRO 134 HD3 0.02 0.14 0.21 -0.04 3.65 3.98 2fq6B1 LEU 135 H 0.17 0.13 -0.38 -0.55 8.37 7.74 2fq6B1 LEU 135 HA 0.22 0.14 0.71 -0.75 4.35 4.66 2fq6B1 LEU 135 HB2 0.14 0.05 -0.00 -0.04 1.64 1.79 2fq6B1 LEU 135 HB3 0.20 0.02 0.14 -0.04 1.64 1.96 2fq6B1 LEU 135 HG 0.12 -0.02 -0.08 -0.04 1.64 1.61 2fq6B1 LEU 135 HD13 0.10 -0.01 0.00 -0.04 0.93 0.99 2fq6B1 LEU 135 HD23 0.25 -0.03 -0.26 -0.04 0.89 0.82 2fq6B1 ILE 136 H 0.22 0.47 -0.45 -0.55 8.25 7.94 2fq6B1 ILE 136 HA 0.12 0.07 0.27 -0.75 4.18 3.90 2fq6B1 ILE 136 HB 0.22 0.03 0.07 -0.04 1.89 2.17 2fq6B1 ILE 136 HG12 0.26 0.06 -0.20 -0.04 1.49 1.57 2fq6B1 ILE 136 HG13 0.10 -0.17 -0.46 -0.04 1.21 0.64 2fq6B1 ILE 136 HG23 0.02 0.04 -0.15 -0.04 0.93 0.79 2fq6B1 ILE 136 HD13 0.17 0.01 -0.03 -0.04 0.88 0.99 2fq6B1 GLY 137 H 0.04 0.08 -0.32 -0.55 8.43 7.68 2fq6B1 GLY 137 HA2 -0.09 0.03 0.25 -0.51 4.01 3.69 2fq6B1 GLY 137 HA3 -0.04 0.04 0.31 -0.51 4.01 3.81 2fq6B1 ALA 138 H -0.01 0.15 0.17 -0.55 8.40 8.16 2fq6B1 ALA 138 HA -0.04 0.19 0.19 -0.75 4.34 3.92 2fq6B1 ALA 138 HB3 -0.01 0.02 0.11 -0.04 1.41 1.49 2fq6B1 ASP 139 H 0.01 0.38 -0.22 -0.55 8.40 8.02 2fq6B1 ASP 139 HA 0.00 0.09 0.48 -0.75 4.63 4.45 2fq6B1 ASP 139 HB2 0.05 0.23 0.08 -0.04 2.71 3.04 2fq6B1 ASP 139 HB3 0.05 -0.04 0.10 -0.04 2.70 2.77 2fq6B1 ILE 140 H -0.03 0.49 -0.59 -0.55 8.25 7.57 2fq6B1 ILE 140 HA 0.07 0.00 0.38 -0.75 4.18 3.88 2fq6B1 ILE 140 HB -0.24 0.06 -0.03 -0.04 1.89 1.64 2fq6B1 ILE 140 HG12 -0.25 0.04 -0.18 -0.04 1.49 1.06 2fq6B1 ILE 140 HG13 -0.48 -0.05 -0.05 -0.04 1.21 0.59 2fq6B1 ILE 140 HG23 -0.12 0.03 -0.19 -0.04 0.93 0.61 2fq6B1 ILE 140 HD13 -0.84 -0.01 -0.14 -0.04 0.88 -0.15 2fq6B1 VAL 141 H -0.03 0.34 -0.36 -0.55 8.24 7.65 2fq6B1 VAL 141 HA -0.02 0.07 0.30 -0.75 4.13 3.73 2fq6B1 VAL 141 HB -0.02 0.02 -0.04 -0.04 2.12 2.05 2fq6B1 VAL 141 HG13 -0.02 0.03 0.03 -0.04 0.97 0.96 2fq6B1 VAL 141 HG23 -0.02 0.04 0.03 -0.04 0.95 0.95 2fq6B1 LYS 142 H -0.04 0.37 -0.39 -0.55 8.42 7.82 2fq6B1 LYS 142 HA -0.08 0.05 0.31 -0.75 4.32 3.84 2fq6B1 LYS 142 HB2 -0.22 0.10 0.08 -0.04 1.87 1.78 2fq6B1 LYS 142 HB3 -0.23 -0.04 0.06 -0.04 1.79 1.55 2fq6B1 LYS 142 HG2 -0.06 -0.02 0.03 -0.04 1.46 1.37 2fq6B1 LYS 142 HG3 -0.04 -0.02 0.08 -0.04 1.46 1.43 2fq6B1 LYS 142 HD2 -0.03 0.02 0.06 -0.04 1.69 1.70 2fq6B1 LYS 142 HD3 -0.07 -0.02 0.02 -0.04 1.68 1.58 2fq6B1 LYS 142 HE2 -0.02 -0.00 0.01 -0.04 2.99 2.94 2fq6B1 LYS 142 HE3 -0.01 -0.02 0.02 -0.04 2.99 2.95 2fq6B1 HIS 143 H 0.04 0.50 -0.46 -0.55 8.41 7.95 2fq6B1 HIS 143 HA 0.03 0.15 0.65 -0.75 4.63 4.70 2fq6B1 HIS 143 HB2 -0.02 0.07 -0.04 -0.04 3.26 3.24 2fq6B1 HIS 143 HB3 0.09 -0.07 -0.00 -0.04 3.20 3.18 2fq6B1 HIS 143 HD2 0.12 0.01 -0.00 -0.04 6.97 7.05 2fq6B1 HIS 143 HE1 0.10 -0.08 -0.02 -0.04 7.75 7.71 2fq6B1 LEU 144 H 0.02 0.35 -0.20 -0.55 8.37 8.00 2fq6B1 LEU 144 HA 0.08 -0.01 0.61 -0.75 4.35 4.27 2fq6B1 LEU 144 HB2 -0.00 0.11 0.06 -0.04 1.64 1.77 2fq6B1 LEU 144 HB3 0.01 0.06 -0.05 -0.04 1.64 1.62 2fq6B1 LEU 144 HG -0.01 0.05 -0.12 -0.04 1.64 1.52 2fq6B1 LEU 144 HD13 -0.02 -0.02 -0.08 -0.04 0.93 0.76 2fq6B1 LEU 144 HD23 -0.00 -0.01 -0.10 -0.04 0.89 0.73 2fq6B1 GLN 145 H 0.06 0.09 0.15 -0.55 8.47 8.23 2fq6B1 GLN 145 HA -0.05 0.27 0.81 -0.75 4.36 4.64 2fq6B1 GLN 145 HB2 -0.14 -0.10 -0.00 -0.04 2.15 1.87 2fq6B1 GLN 145 HB3 -0.12 -0.03 0.08 -0.04 2.02 1.90 2fq6B1 GLN 145 HG2 -0.16 0.08 -0.11 -0.04 2.40 2.17 2fq6B1 GLN 145 HG3 -0.26 0.10 -0.34 -0.04 2.39 1.85 2fq6B1 GLN 145 HE21 -0.33 0.01 -0.09 -0.04 6.97 6.52 2fq6B1 GLN 145 HE22 -0.24 -0.08 -0.06 -0.04 7.69 7.27 2fq6B1 PRO 146 HA 0.00 0.14 0.50 -0.51 4.44 4.57 2fq6B1 PRO 146 HB2 -0.01 0.01 0.04 -0.04 2.28 2.29 2fq6B1 PRO 146 HB3 -0.00 0.04 0.09 -0.04 2.02 2.11 2fq6B1 PRO 146 HG2 -0.02 0.02 0.08 -0.04 2.03 2.08 2fq6B1 PRO 146 HG3 -0.01 0.06 0.08 -0.04 2.03 2.12 2fq6B1 PRO 146 HD2 -0.05 0.06 0.20 -0.04 3.68 3.86 2fq6B1 PRO 146 HD3 -0.03 0.20 0.16 -0.04 3.65 3.94 2fq6B1 ASN 147 H -0.01 0.03 -0.26 -0.55 8.53 7.75 2fq6B1 ASN 147 HA 0.03 0.24 0.58 -0.75 4.76 4.86 2fq6B1 ASN 147 HB2 0.04 0.11 0.25 -0.04 2.88 3.23 2fq6B1 ASN 147 HB3 0.01 -0.01 0.04 -0.04 2.79 2.80 2fq6B1 ASN 147 HD21 0.00 -0.09 -0.14 -0.04 7.03 6.76 2fq6B1 ASN 147 HD22 0.03 0.51 -0.01 -0.04 7.74 8.22 2fq6B1 THR 148 H 0.07 0.34 -0.41 -0.55 8.28 7.72 2fq6B1 THR 148 HA 0.18 0.03 0.51 -0.75 4.39 4.35 2fq6B1 THR 148 HB 0.08 0.15 0.13 -0.04 4.32 4.63 2fq6B1 THR 148 HG23 0.04 -0.01 -0.22 -0.04 1.22 0.99 2fq6B1 LYS 149 H 0.04 0.61 0.54 -0.55 8.42 9.05 2fq6B1 LYS 149 HA 0.04 0.16 0.77 -0.75 4.32 4.53 2fq6B1 LYS 149 HB2 0.06 0.03 0.17 -0.04 1.87 2.08 2fq6B1 LYS 149 HB3 0.05 -0.04 0.14 -0.04 1.79 1.90 2fq6B1 LYS 149 HG2 0.11 0.11 0.04 -0.04 1.46 1.68 2fq6B1 LYS 149 HG3 0.09 -0.09 -0.03 -0.04 1.46 1.39 2fq6B1 LYS 149 HD2 0.07 -0.01 0.09 -0.04 1.69 1.80 2fq6B1 LYS 149 HD3 0.06 -0.01 0.04 -0.04 1.68 1.73 2fq6B1 LYS 149 HE2 0.15 0.07 0.09 -0.04 2.99 3.26 2fq6B1 LYS 149 HE3 0.08 -0.08 0.02 -0.04 2.99 2.98 2fq6B1 ILE 150 H -0.01 0.28 0.35 -0.55 8.25 8.33 2fq6B1 ILE 150 HA -0.00 0.36 1.18 -0.75 4.18 4.97 2fq6B1 ILE 150 HB 0.03 -0.10 0.12 -0.04 1.89 1.90 2fq6B1 ILE 150 HG12 0.04 0.07 -0.07 -0.04 1.49 1.48 2fq6B1 ILE 150 HG13 0.07 -0.04 -0.37 -0.04 1.21 0.83 2fq6B1 ILE 150 HG23 0.14 -0.01 -0.22 -0.04 0.93 0.79 2fq6B1 ILE 150 HD13 0.17 -0.01 -0.07 -0.04 0.88 0.93 2fq6B1 VAL 151 H 0.01 0.58 0.24 -0.55 8.24 8.52 2fq6B1 VAL 151 HA 0.06 0.28 0.93 -0.75 4.13 4.64 2fq6B1 VAL 151 HB -0.02 -0.03 0.08 -0.04 2.12 2.11 2fq6B1 VAL 151 HG13 -0.05 -0.02 -0.20 -0.04 0.97 0.66 2fq6B1 VAL 151 HG23 -0.03 0.01 -0.17 -0.04 0.95 0.71 2fq6B1 PHE 152 H 0.28 0.86 0.34 -0.55 8.34 9.27 2fq6B1 PHE 152 HA 0.08 0.18 0.88 -0.75 4.62 5.01 2fq6B1 PHE 152 HB2 0.04 0.04 -0.12 -0.04 3.15 3.08 2fq6B1 PHE 152 HB3 0.07 -0.08 0.10 -0.04 3.06 3.11 2fq6B1 PHE 152 HD2 0.09 -0.02 -0.25 -0.04 7.28 7.06 2fq6B1 PHE 152 HE2 0.08 -0.05 -0.10 -0.04 7.38 7.27 2fq6B1 PHE 152 HZ 0.08 -0.12 -0.08 -0.04 7.32 7.16 2fq6B1 LEU 153 H -0.27 0.73 0.43 -0.55 8.37 8.71 2fq6B1 LEU 153 HA 0.28 0.09 0.82 -0.75 4.35 4.79 2fq6B1 LEU 153 HB2 0.01 -0.02 0.13 -0.04 1.64 1.72 2fq6B1 LEU 153 HB3 0.23 -0.07 -0.00 -0.04 1.64 1.76 2fq6B1 LEU 153 HG -0.01 0.18 -0.06 -0.04 1.64 1.70 2fq6B1 LEU 153 HD13 -0.01 -0.01 -0.12 -0.04 0.93 0.75 2fq6B1 LEU 153 HD23 -0.03 0.00 -0.25 -0.04 0.89 0.57 2fq6B1 GLU 154 H 0.50 0.24 0.08 -0.55 8.60 8.88 2fq6B1 GLU 154 HA 0.08 0.11 0.48 -0.75 4.29 4.20 2fq6B1 GLU 154 HB2 0.28 -0.01 0.07 -0.04 2.09 2.40 2fq6B1 GLU 154 HB3 0.15 -0.03 0.03 -0.04 1.99 2.10 2fq6B1 GLU 154 HG2 0.06 0.24 -0.18 -0.04 2.34 2.43 2fq6B1 GLU 154 HG3 0.15 0.13 0.13 -0.04 2.34 2.71 2fq6B1 SER 155 H 0.02 0.31 0.04 -0.55 8.46 8.28 2fq6B1 SER 155 HA -0.28 0.14 0.78 -0.75 4.49 4.38 2fq6B1 SER 155 HB2 -0.11 -0.05 -0.15 -0.04 3.95 3.59 2fq6B1 SER 155 HB3 -0.16 0.03 0.04 -0.04 3.93 3.80 2fq6B1 PRO 156 HA -0.33 0.25 0.18 -0.51 4.44 4.03 2fq6B1 PRO 156 HB2 -0.78 0.02 -0.16 -0.04 2.28 1.32 2fq6B1 PRO 156 HB3 -0.63 0.27 -0.18 -0.04 2.02 1.44 2fq6B1 PRO 156 HG2 -2.70 0.05 0.04 -0.04 2.03 -0.63 2fq6B1 PRO 156 HG3 -1.08 0.06 0.00 -0.04 2.03 0.97 2fq6B1 PRO 156 HD2 -0.30 -0.07 0.23 -0.04 3.68 3.50 2fq6B1 PRO 156 HD3 -0.06 0.15 0.21 -0.04 3.65 3.91 2fq6B1 GLY 157 H -0.25 0.23 -0.07 -0.55 8.43 7.80 2fq6B1 GLY 157 HA2 -0.09 0.12 0.28 -0.51 4.01 3.82 2fq6B1 GLY 157 HA3 -0.12 -0.03 0.33 -0.51 4.01 3.67 2fq6B1 SER 158 H 0.03 0.60 0.23 -0.55 8.46 8.77 2fq6B1 SER 158 HA -0.00 0.01 0.47 -0.75 4.49 4.22 2fq6B1 SER 158 HB2 0.11 0.26 -0.05 -0.04 3.95 4.23 2fq6B1 SER 158 HB3 0.14 -0.01 -0.05 -0.04 3.93 3.97 2fq6B1 ILE 159 H -0.10 0.14 0.07 -0.55 8.25 7.82 2fq6B1 ILE 159 HA -0.11 0.04 0.31 -0.75 4.18 3.67 2fq6B1 ILE 159 HB -0.02 0.16 -0.10 -0.04 1.89 1.89 2fq6B1 ILE 159 HG12 0.02 0.02 -0.06 -0.04 1.49 1.43 2fq6B1 ILE 159 HG13 0.05 -0.17 -0.31 -0.04 1.21 0.74 2fq6B1 ILE 159 HG23 -0.06 0.01 -0.19 -0.04 0.93 0.65 2fq6B1 ILE 159 HD13 0.06 0.02 -0.10 -0.04 0.88 0.81 2fq6B1 THR 160 H -0.07 0.62 0.04 -0.55 8.28 8.32 2fq6B1 THR 160 HA -0.15 0.16 0.52 -0.75 4.39 4.17 2fq6B1 THR 160 HB -0.04 -0.03 0.02 -0.04 4.32 4.23 2fq6B1 THR 160 HG23 -0.01 0.00 -0.08 -0.04 1.22 1.09 2fq6B1 MET 161 H -0.15 0.17 -0.48 -0.55 8.47 7.47 2fq6B1 MET 161 HA -0.29 0.19 0.11 -0.75 4.52 3.77 2fq6B1 MET 161 HB2 -0.19 0.09 -0.16 -0.04 2.15 1.85 2fq6B1 MET 161 HB3 -0.38 -0.04 0.02 -0.04 2.03 1.60 2fq6B1 MET 161 HG2 -0.15 0.05 -0.57 -0.04 2.63 1.92 2fq6B1 MET 161 HG3 -0.12 0.13 -0.00 -0.04 2.56 2.52 2fq6B1 MET 161 HE3 -0.41 0.02 -0.10 -0.04 2.10 1.57 2fq6B1 GLU 162 H -0.14 0.01 -0.16 -0.55 8.60 7.77 2fq6B1 GLU 162 HA -0.10 0.25 0.36 -0.75 4.29 4.05 2fq6B1 GLU 162 HB2 -0.07 -0.09 0.04 -0.04 2.09 1.92 2fq6B1 GLU 162 HB3 -0.00 0.03 -0.14 -0.04 1.99 1.83 2fq6B1 GLU 162 HG2 0.01 -0.01 -0.04 -0.04 2.34 2.26 2fq6B1 GLU 162 HG3 -0.03 0.09 -0.06 -0.04 2.34 2.30 2fq6B1 VAL 163 H -0.06 0.55 0.23 -0.55 8.24 8.41 2fq6B1 VAL 163 HA -0.17 -0.01 0.86 -0.75 4.13 4.06 2fq6B1 VAL 163 HB 0.06 0.01 0.16 -0.04 2.12 2.31 2fq6B1 VAL 163 HG13 0.12 0.04 -0.11 -0.04 0.97 0.97 2fq6B1 VAL 163 HG23 -0.33 0.04 -0.02 -0.04 0.95 0.60 2fq6B1 HIS 164 H -0.10 0.07 0.11 -0.55 8.41 7.95 2fq6B1 HIS 164 HA 0.04 0.24 0.46 -0.75 4.63 4.62 2fq6B1 HIS 164 HB2 -0.05 -0.04 -0.00 -0.04 3.26 3.13 2fq6B1 HIS 164 HB3 -0.02 0.00 -0.19 -0.04 3.20 2.95 2fq6B1 HIS 164 HD2 0.02 -0.04 -0.18 -0.04 6.97 6.73 2fq6B1 HIS 164 HE1 0.06 -0.07 0.04 -0.04 7.75 7.74 2fq6B1 ASP 165 H -0.23 0.20 0.12 -0.55 8.40 7.93 2fq6B1 ASP 165 HA -0.66 0.20 0.76 -0.75 4.63 4.17 2fq6B1 ASP 165 HB2 -2.12 0.08 0.14 -0.04 2.71 0.77 2fq6B1 ASP 165 HB3 -0.49 -0.08 0.24 -0.04 2.70 2.33 2fq6B1 VAL 166 H -0.04 0.38 -0.31 -0.55 8.24 7.72 2fq6B1 VAL 166 HA -0.01 -0.00 0.29 -0.75 4.13 3.66 2fq6B1 VAL 166 HB 0.04 0.10 0.03 -0.04 2.12 2.25 2fq6B1 VAL 166 HG13 0.20 0.03 -0.19 -0.04 0.97 0.96 2fq6B1 VAL 166 HG23 -0.01 -0.00 -0.09 -0.04 0.95 0.81 2fq6B1 PRO 167 HA 0.14 0.17 0.43 -0.51 4.44 4.67 2fq6B1 PRO 167 HB2 0.07 -0.03 -0.01 -0.04 2.28 2.27 2fq6B1 PRO 167 HB3 0.10 0.11 0.04 -0.04 2.02 2.22 2fq6B1 PRO 167 HG2 0.25 0.07 0.02 -0.04 2.03 2.33 2fq6B1 PRO 167 HG3 0.46 0.14 0.03 -0.04 2.03 2.62 2fq6B1 PRO 167 HD2 0.09 -0.02 -0.02 -0.04 3.68 3.69 2fq6B1 PRO 167 HD3 0.27 0.14 0.07 -0.04 3.65 4.09 2fq6B1 ALA 168 H -0.05 0.11 -0.37 -0.55 8.40 7.54 2fq6B1 ALA 168 HA -0.02 0.11 0.33 -0.75 4.34 4.01 2fq6B1 ALA 168 HB3 -0.07 -0.00 0.05 -0.04 1.41 1.34 2fq6B1 ILE 169 H -0.08 0.47 -0.08 -0.55 8.25 8.01 2fq6B1 ILE 169 HA -0.11 0.09 0.32 -0.75 4.18 3.73 2fq6B1 ILE 169 HB -0.10 0.04 0.09 -0.04 1.89 1.88 2fq6B1 ILE 169 HG12 -0.18 0.11 -0.03 -0.04 1.49 1.36 2fq6B1 ILE 169 HG13 -0.13 0.05 0.01 -0.04 1.21 1.10 2fq6B1 ILE 169 HG23 -0.20 0.00 -0.24 -0.04 0.93 0.45 2fq6B1 ILE 169 HD13 -0.22 -0.03 -0.09 -0.04 0.88 0.50 2fq6B1 VAL 170 H -0.01 0.73 -0.05 -0.55 8.24 8.36 2fq6B1 VAL 170 HA -0.03 0.00 0.35 -0.75 4.13 3.71 2fq6B1 VAL 170 HB 0.05 0.06 0.08 -0.04 2.12 2.27 2fq6B1 VAL 170 HG13 0.02 0.05 -0.11 -0.04 0.97 0.88 2fq6B1 VAL 170 HG23 0.04 0.00 -0.12 -0.04 0.95 0.83 2fq6B1 ALA 171 H -0.00 0.53 -0.11 -0.55 8.40 8.27 2fq6B1 ALA 171 HA -0.01 0.03 0.39 -0.75 4.34 4.00 2fq6B1 ALA 171 HB3 -0.01 0.00 0.09 -0.04 1.41 1.45 2fq6B1 ALA 172 H -0.03 0.39 -0.40 -0.55 8.40 7.81 2fq6B1 ALA 172 HA -0.02 0.03 0.41 -0.75 4.34 4.00 2fq6B1 ALA 172 HB3 -0.05 -0.02 0.13 -0.04 1.41 1.44 2fq6B1 VAL 173 H -0.05 0.57 -0.06 -0.55 8.24 8.15 2fq6B1 VAL 173 HA -0.04 -0.00 0.37 -0.75 4.13 3.70 2fq6B1 VAL 173 HB -0.04 0.09 0.10 -0.04 2.12 2.23 2fq6B1 VAL 173 HG13 -0.03 0.00 -0.22 -0.04 0.97 0.68 2fq6B1 VAL 173 HG23 -0.10 0.01 -0.08 -0.04 0.95 0.73 2fq6B1 ARG 174 H -0.02 0.65 -0.08 -0.55 8.46 8.45 2fq6B1 ARG 174 HA -0.01 0.05 0.22 -0.75 4.34 3.85 2fq6B1 ARG 174 HB2 -0.01 0.06 0.03 -0.04 1.90 1.94 2fq6B1 ARG 174 HB3 -0.01 -0.06 0.01 -0.04 1.80 1.71 2fq6B1 ARG 174 HG2 -0.01 0.12 0.01 -0.04 1.67 1.75 2fq6B1 ARG 174 HG3 -0.01 -0.07 -0.01 -0.04 1.67 1.54 2fq6B1 ARG 174 HD2 -0.01 -0.01 0.11 -0.04 3.22 3.27 2fq6B1 ARG 174 HD3 -0.01 0.00 0.02 -0.04 3.22 3.19 2fq6B1 SER 175 H -0.02 0.32 -0.53 -0.55 8.46 7.69 2fq6B1 SER 175 HA -0.01 0.01 0.45 -0.75 4.49 4.19 2fq6B1 SER 175 HB2 -0.01 -0.10 0.11 -0.04 3.95 3.90 2fq6B1 SER 175 HB3 -0.01 0.08 0.12 -0.04 3.93 4.07 2fq6B1 VAL 176 H -0.01 0.29 -0.44 -0.55 8.24 7.53 2fq6B1 VAL 176 HA -0.01 0.13 0.82 -0.75 4.13 4.31 2fq6B1 VAL 176 HB -0.01 0.03 0.07 -0.04 2.12 2.16 2fq6B1 VAL 176 HG13 -0.01 -0.01 -0.11 -0.04 0.97 0.80 2fq6B1 VAL 176 HG23 -0.01 0.02 -0.10 -0.04 0.95 0.82 2fq6B1 VAL 177 H -0.01 0.64 0.08 -0.55 8.24 8.41 2fq6B1 VAL 177 HA 0.00 0.15 0.76 -0.75 4.13 4.28 2fq6B1 VAL 177 HB -0.00 -0.05 0.14 -0.04 2.12 2.17 2fq6B1 VAL 177 HG13 0.01 0.02 0.03 -0.04 0.97 1.00 2fq6B1 VAL 177 HG23 0.01 0.00 -0.16 -0.04 0.95 0.76 2fq6B1 PRO 178 HA -0.01 0.00 0.43 -0.51 4.44 4.35 2fq6B1 PRO 178 HB2 -0.00 -0.04 -0.02 -0.04 2.28 2.17 2fq6B1 PRO 178 HB3 -0.00 0.12 0.16 -0.04 2.02 2.25 2fq6B1 PRO 178 HG2 0.00 -0.05 0.02 -0.04 2.03 1.96 2fq6B1 PRO 178 HG3 -0.00 0.04 0.01 -0.04 2.03 2.04 2fq6B1 PRO 178 HD2 0.00 0.12 -0.05 -0.04 3.68 3.71 2fq6B1 PRO 178 HD3 -0.00 0.20 -0.37 -0.04 3.65 3.43 2fq6B1 ASP 179 H 0.00 0.07 -0.38 -0.55 8.40 7.55 2fq6B1 ASP 179 HA 0.00 0.16 0.71 -0.75 4.63 4.75 2fq6B1 ASP 179 HB2 0.02 -0.02 0.13 -0.04 2.71 2.81 2fq6B1 ASP 179 HB3 0.01 -0.06 0.02 -0.04 2.70 2.64 2fq6B1 ALA 180 H -0.00 0.47 -0.35 -0.55 8.40 7.97 2fq6B1 ALA 180 HA -0.00 0.14 0.52 -0.75 4.34 4.25 2fq6B1 ALA 180 HB3 -0.01 -0.03 -0.11 -0.04 1.41 1.22 2fq6B1 ILE 181 H -0.04 0.82 0.37 -0.55 8.25 8.85 2fq6B1 ILE 181 HA -0.14 0.11 0.91 -0.75 4.18 4.31 2fq6B1 ILE 181 HB -0.22 -0.04 0.18 -0.04 1.89 1.77 2fq6B1 ILE 181 HG12 -0.08 0.16 0.11 -0.04 1.49 1.64 2fq6B1 ILE 181 HG13 -0.42 -0.03 0.03 -0.04 1.21 0.75 2fq6B1 ILE 181 HG23 -0.67 -0.03 -0.11 -0.04 0.93 0.07 2fq6B1 ILE 181 HD13 -0.15 0.01 -0.08 -0.04 0.88 0.62 2fq6B1 ILE 182 H -0.08 0.21 0.15 -0.55 8.25 7.98 2fq6B1 ILE 182 HA -0.04 0.28 1.06 -0.75 4.18 4.72 2fq6B1 ILE 182 HB -0.03 -0.09 0.19 -0.04 1.89 1.92 2fq6B1 ILE 182 HG12 -0.03 -0.01 -0.15 -0.04 1.49 1.25 2fq6B1 ILE 182 HG13 -0.03 0.10 -0.18 -0.04 1.21 1.06 2fq6B1 ILE 182 HG23 -0.02 -0.00 -0.09 -0.04 0.93 0.77 2fq6B1 ILE 182 HD13 -0.02 0.03 -0.04 -0.04 0.88 0.80 2fq6B1 MET 183 H -0.07 0.68 0.44 -0.55 8.47 8.97 2fq6B1 MET 183 HA -0.08 0.19 1.09 -0.75 4.52 4.96 2fq6B1 MET 183 HB2 -0.17 -0.06 -0.02 -0.04 2.15 1.86 2fq6B1 MET 183 HB3 -0.12 -0.03 0.01 -0.04 2.03 1.85 2fq6B1 MET 183 HG2 -0.06 0.01 -0.26 -0.04 2.63 2.28 2fq6B1 MET 183 HG3 -0.03 0.08 -0.36 -0.04 2.56 2.21 2fq6B1 MET 183 HE3 0.05 0.07 -0.21 -0.04 2.10 1.97 2fq6B1 ILE 184 H -0.13 0.61 0.39 -0.55 8.25 8.57 2fq6B1 ILE 184 HA -0.33 0.27 0.88 -0.75 4.18 4.25 2fq6B1 ILE 184 HB 0.01 0.06 -0.14 -0.04 1.89 1.78 2fq6B1 ILE 184 HG12 0.05 -0.04 -0.43 -0.04 1.49 1.02 2fq6B1 ILE 184 HG13 0.01 -0.01 -0.27 -0.04 1.21 0.89 2fq6B1 ILE 184 HG23 0.07 0.01 0.02 -0.04 0.93 0.99 2fq6B1 ILE 184 HD13 0.08 0.00 -0.10 -0.04 0.88 0.81 2fq6B1 ASP 185 H -0.23 0.62 0.31 -0.55 8.40 8.55 2fq6B1 ASP 185 HA 0.06 0.15 0.94 -0.75 4.63 5.04 2fq6B1 ASP 185 HB2 0.32 0.07 0.16 -0.04 2.71 3.22 2fq6B1 ASP 185 HB3 0.20 -0.01 0.32 -0.04 2.70 3.17 2fq6B1 ASN 186 H 0.10 0.79 0.18 -0.55 8.53 9.06 2fq6B1 ASN 186 HA 0.20 0.20 0.55 -0.75 4.76 4.95 2fq6B1 ASN 186 HB2 0.13 0.02 0.00 -0.04 2.88 2.99 2fq6B1 ASN 186 HB3 0.13 0.06 0.06 -0.04 2.79 3.00 2fq6B1 ASN 186 HD21 0.18 0.52 0.12 -0.04 7.03 7.81 2fq6B1 ASN 186 HD22 0.11 0.02 0.09 -0.04 7.74 7.91 2fq6B1 THR 187 H 0.23 0.19 -0.34 -0.55 8.28 7.82 2fq6B1 THR 187 HA 0.17 0.09 0.30 -0.75 4.39 4.20 2fq6B1 THR 187 HB 0.33 0.07 0.07 -0.04 4.32 4.76 2fq6B1 THR 187 HG23 -0.19 0.05 0.04 -0.04 1.22 1.08 2fq6B1 TRP 188 H 0.60 0.18 -0.04 -0.55 7.97 8.15 2fq6B1 TRP 188 HA 0.65 0.03 0.46 -0.75 4.62 5.01 2fq6B1 TRP 188 HB2 0.15 0.01 0.06 -0.04 3.23 3.41 2fq6B1 TRP 188 HB3 0.20 0.09 0.07 -0.04 3.23 3.55 2fq6B1 TRP 188 HD1 -0.39 -0.07 0.01 -0.04 7.22 6.73 2fq6B1 TRP 188 HE1 -0.20 0.62 0.15 -0.04 10.20 10.74 2fq6B1 TRP 188 HE3 0.35 0.00 -0.23 -0.04 7.59 7.68 2fq6B1 TRP 188 HZ2 -0.34 0.14 0.03 -0.04 7.44 7.23 2fq6B1 TRP 188 HZ3 0.37 0.17 0.01 -0.04 7.13 7.64 2fq6B1 TRP 188 HH2 -0.13 0.07 0.10 -0.04 7.19 7.19 2fq6B1 ALA 189 H 0.54 0.12 -0.31 -0.55 8.40 8.20 2fq6B1 ALA 189 HA 0.25 0.17 0.47 -0.75 4.34 4.47 2fq6B1 ALA 189 HB3 0.42 -0.00 0.02 -0.04 1.41 1.81 2fq6B1 ALA 190 H 0.25 0.34 -0.47 -0.55 8.40 7.97 2fq6B1 ALA 190 HA 0.15 -0.00 0.32 -0.75 4.34 4.05 2fq6B1 ALA 190 HB3 0.08 0.05 0.07 -0.04 1.41 1.56 2fq6B1 GLY 191 H 0.16 0.26 -0.22 -0.55 8.43 8.09 2fq6B1 GLY 191 HA2 0.10 -0.02 0.28 -0.51 4.01 3.85 2fq6B1 GLY 191 HA3 0.07 0.07 0.30 -0.51 4.01 3.94 2fq6B1 VAL 192 H 0.09 0.25 -0.59 -0.55 8.24 7.44 2fq6B1 VAL 192 HA 0.02 0.33 0.90 -0.75 4.13 4.62 2fq6B1 VAL 192 HB 0.03 -0.02 0.00 -0.04 2.12 2.09 2fq6B1 VAL 192 HG13 0.03 0.07 -0.19 -0.04 0.97 0.84 2fq6B1 VAL 192 HG23 0.04 0.00 -0.11 -0.04 0.95 0.84 2fq6B1 LEU 193 H 0.12 0.49 0.13 -0.55 8.37 8.56 2fq6B1 LEU 193 HA 0.12 0.17 0.67 -0.75 4.35 4.55 2fq6B1 LEU 193 HB2 0.34 -0.10 0.04 -0.04 1.64 1.88 2fq6B1 LEU 193 HB3 0.38 0.02 0.02 -0.04 1.64 2.02 2fq6B1 LEU 193 HG 0.06 0.12 -0.02 -0.04 1.64 1.76 2fq6B1 LEU 193 HD13 -0.03 -0.03 -0.35 -0.04 0.93 0.48 2fq6B1 LEU 193 HD23 0.11 0.01 -0.21 -0.04 0.89 0.76 2fq6B1 PHE 194 H 0.10 0.10 -0.44 -0.55 8.34 7.54 2fq6B1 PHE 194 HA -0.35 0.29 0.58 -0.75 4.62 4.38 2fq6B1 PHE 194 HB2 -1.45 0.10 -0.12 -0.04 3.15 1.64 2fq6B1 PHE 194 HB3 -0.31 -0.15 0.02 -0.04 3.06 2.57 2fq6B1 PHE 194 HD2 -0.62 0.08 -0.11 -0.04 7.28 6.59 2fq6B1 PHE 194 HE2 -0.74 -0.02 -0.11 -0.04 7.38 6.47 2fq6B1 PHE 194 HZ -0.68 -0.03 -0.12 -0.04 7.32 6.45 2fq6B1 LYS 195 H -0.35 0.30 -0.04 -0.55 8.42 7.77 2fq6B1 LYS 195 HA -0.16 0.21 0.65 -0.75 4.32 4.26 2fq6B1 LYS 195 HB2 -0.07 0.02 0.15 -0.04 1.87 1.93 2fq6B1 LYS 195 HB3 -0.08 -0.00 0.07 -0.04 1.79 1.74 2fq6B1 LYS 195 HG2 -0.06 -0.06 -0.18 -0.04 1.46 1.12 2fq6B1 LYS 195 HG3 -0.04 0.02 0.00 -0.04 1.46 1.40 2fq6B1 LYS 195 HD2 -0.05 -0.03 0.08 -0.04 1.69 1.65 2fq6B1 LYS 195 HD3 -0.02 0.06 0.08 -0.04 1.68 1.76 2fq6B1 LYS 195 HE2 -0.02 0.28 0.08 -0.04 2.99 3.29 2fq6B1 LYS 195 HE3 -0.03 -0.09 0.01 -0.04 2.99 2.84 2fq6B1 ALA 196 H -0.21 0.37 0.13 -0.55 8.40 8.14 2fq6B1 ALA 196 HA -0.41 0.02 0.07 -0.75 4.34 3.27 2fq6B1 ALA 196 HB3 0.06 0.00 0.00 -0.04 1.41 1.44 2fq6B1 LEU 197 H -0.05 0.19 -0.16 -0.55 8.37 7.80 2fq6B1 LEU 197 HA -0.00 0.18 0.46 -0.75 4.35 4.23 2fq6B1 LEU 197 HB2 -0.03 0.20 0.04 -0.04 1.64 1.81 2fq6B1 LEU 197 HB3 -0.03 0.06 0.00 -0.04 1.64 1.64 2fq6B1 LEU 197 HG -0.01 0.01 -0.06 -0.04 1.64 1.54 2fq6B1 LEU 197 HD13 0.01 -0.00 -0.32 -0.04 0.93 0.58 2fq6B1 LEU 197 HD23 -0.02 0.05 -0.40 -0.04 0.89 0.48 2fq6B1 ASP 198 H -0.04 0.29 -0.25 -0.55 8.40 7.86 2fq6B1 ASP 198 HA -0.09 0.10 0.60 -0.75 4.63 4.48 2fq6B1 ASP 198 HB2 -0.08 0.20 0.10 -0.04 2.71 2.89 2fq6B1 ASP 198 HB3 -0.24 -0.03 0.09 -0.04 2.70 2.48 2fq6B1 PHE 199 H 0.11 0.39 -0.49 -0.55 8.34 7.79 2fq6B1 PHE 199 HA -0.06 0.16 0.59 -0.75 4.62 4.55 2fq6B1 PHE 199 HB2 -0.13 0.11 0.02 -0.04 3.15 3.11 2fq6B1 PHE 199 HB3 0.02 -0.11 0.01 -0.04 3.06 2.95 2fq6B1 PHE 199 HD2 -0.21 0.11 -0.13 -0.04 7.28 7.02 2fq6B1 PHE 199 HE2 -0.12 -0.03 -0.03 -0.04 7.38 7.16 2fq6B1 PHE 199 HZ 0.00 0.10 0.03 -0.04 7.32 7.42 2fq6B1 GLY 200 H 0.00 0.30 -0.42 -0.55 8.43 7.77 2fq6B1 GLY 200 HA2 -0.00 0.06 0.23 -0.51 4.01 3.79 2fq6B1 GLY 200 HA3 0.01 0.07 0.49 -0.51 4.01 4.06 2fq6B1 ILE 201 H 0.05 0.21 -0.14 -0.55 8.25 7.82 2fq6B1 ILE 201 HA 0.01 0.08 0.60 -0.75 4.18 4.12 2fq6B1 ILE 201 HB 0.05 0.04 -0.23 -0.04 1.89 1.71 2fq6B1 ILE 201 HG12 0.05 -0.00 -0.19 -0.04 1.49 1.31 2fq6B1 ILE 201 HG13 0.11 0.07 -0.28 -0.04 1.21 1.07 2fq6B1 ILE 201 HG23 0.00 -0.05 -0.31 -0.04 0.93 0.53 2fq6B1 ILE 201 HD13 0.17 -0.04 -0.12 -0.04 0.88 0.84 2fq6B1 ASP 202 H -0.03 0.40 0.28 -0.55 8.40 8.51 2fq6B1 ASP 202 HA -0.01 0.08 0.74 -0.75 4.63 4.69 2fq6B1 ASP 202 HB2 -0.11 0.10 0.15 -0.04 2.71 2.82 2fq6B1 ASP 202 HB3 -0.07 -0.10 0.07 -0.04 2.70 2.56 2fq6B1 VAL 203 H -0.03 0.36 0.20 -0.55 8.24 8.22 2fq6B1 VAL 203 HA 0.04 0.31 0.95 -0.75 4.13 4.68 2fq6B1 VAL 203 HB 0.00 -0.07 0.01 -0.04 2.12 2.02 2fq6B1 VAL 203 HG13 0.13 -0.01 -0.25 -0.04 0.97 0.80 2fq6B1 VAL 203 HG23 0.01 0.01 -0.28 -0.04 0.95 0.65 2fq6B1 SER 204 H 0.04 0.77 0.24 -0.55 8.46 8.97 2fq6B1 SER 204 HA 0.03 0.10 0.99 -0.75 4.49 4.85 2fq6B1 SER 204 HB2 0.03 -0.03 -0.01 -0.04 3.95 3.90 2fq6B1 SER 204 HB3 0.03 0.07 0.16 -0.04 3.93 4.16 2fq6B1 ILE 205 H 0.03 0.70 0.43 -0.55 8.25 8.86 2fq6B1 ILE 205 HA 0.08 0.28 0.73 -0.75 4.18 4.51 2fq6B1 ILE 205 HB 0.06 -0.03 0.17 -0.04 1.89 2.05 2fq6B1 ILE 205 HG12 0.07 0.06 -0.13 -0.04 1.49 1.45 2fq6B1 ILE 205 HG13 0.04 -0.04 -0.25 -0.04 1.21 0.92 2fq6B1 ILE 205 HG23 0.04 -0.03 -0.14 -0.04 0.93 0.76 2fq6B1 ILE 205 HD13 0.13 -0.00 -0.16 -0.04 0.88 0.81 2fq6B1 GLN 206 H 0.07 0.69 0.36 -0.55 8.47 9.04 2fq6B1 GLN 206 HA 0.07 -0.01 0.42 -0.75 4.36 4.08 2fq6B1 GLN 206 HB2 0.06 0.03 -0.05 -0.04 2.15 2.15 2fq6B1 GLN 206 HB3 0.03 0.01 -0.31 -0.04 2.02 1.71 2fq6B1 GLN 206 HG2 0.11 -0.07 -0.36 -0.04 2.40 2.03 2fq6B1 GLN 206 HG3 0.08 0.07 -0.43 -0.04 2.39 2.07 2fq6B1 GLN 206 HE21 0.06 0.30 -0.43 -0.04 6.97 6.86 2fq6B1 GLN 206 HE22 0.06 0.01 -0.26 -0.04 7.69 7.46 2fq6B1 ALA 207 H -0.02 0.15 0.07 -0.55 8.40 8.05 2fq6B1 ALA 207 HA -0.05 0.09 0.97 -0.75 4.34 4.60 2fq6B1 ALA 207 HB3 -0.19 0.01 0.21 -0.04 1.41 1.40 2fq6B1 ALA 208 H -0.01 0.41 -0.00 -0.55 8.40 8.25 2fq6B1 ALA 208 HA -0.03 0.05 0.39 -0.75 4.34 4.00 2fq6B1 ALA 208 HB3 0.01 0.04 -0.15 -0.04 1.41 1.27 2fq6B1 THR 209 H -0.08 0.15 -0.16 -0.55 8.28 7.63 2fq6B1 THR 209 HA -0.10 0.24 0.50 -0.75 4.39 4.27 2fq6B1 THR 209 HB -0.23 -0.07 -0.00 -0.04 4.32 3.97 2fq6B1 THR 209 HG23 -0.16 0.07 0.01 -0.04 1.22 1.10 2fq6B1 LYS 210 H -0.32 0.28 -0.44 -0.55 8.42 7.39 2fq6B1 LYS 210 HA -0.61 0.29 0.65 -0.75 4.32 3.89 2fq6B1 LYS 210 HB2 -0.55 0.13 0.21 -0.04 1.87 1.62 2fq6B1 LYS 210 HB3 -0.95 -0.07 0.20 -0.04 1.79 0.92 2fq6B1 LYS 210 HG2 -2.08 -0.07 -0.01 -0.04 1.46 -0.74 2fq6B1 LYS 210 HG3 -2.22 0.08 -0.11 -0.04 1.46 -0.83 2fq6B1 LYS 210 HD2 -0.64 0.02 -0.25 -0.04 1.69 0.78 2fq6B1 LYS 210 HD3 -0.58 -0.08 0.03 -0.04 1.68 1.01 2fq6B1 LYS 210 HE2 -0.74 -0.04 0.01 -0.04 2.99 2.18 2fq6B1 LYS 210 HE3 -1.39 -0.00 0.01 -0.04 2.99 1.57 2fq6B1 TYR 211 H -0.30 0.08 0.16 -0.55 8.29 7.67 2fq6B1 TYR 211 HA -0.07 0.35 0.42 -0.75 4.56 4.50 2fq6B1 TYR 211 HB2 -0.02 -0.06 0.14 -0.04 3.06 3.09 2fq6B1 TYR 211 HB3 0.00 0.09 0.03 -0.04 2.98 3.06 2fq6B1 TYR 211 HD2 0.03 0.12 0.09 -0.04 7.15 7.34 2fq6B1 TYR 211 HE2 -0.34 0.06 0.06 -0.04 6.85 6.59 2fq6B1 LEU 212 H 0.02 -0.03 -0.19 -0.55 8.37 7.62 2fq6B1 LEU 212 HA 0.07 0.09 0.19 -0.75 4.35 3.95 2fq6B1 LEU 212 HB2 0.01 -0.03 0.13 -0.04 1.64 1.70 2fq6B1 LEU 212 HB3 0.02 0.07 -0.03 -0.04 1.64 1.66 2fq6B1 LEU 212 HG 0.04 -0.14 0.00 -0.04 1.64 1.51 2fq6B1 LEU 212 HD13 0.03 -0.02 -0.10 -0.04 0.93 0.80 2fq6B1 LEU 212 HD23 0.06 0.07 -0.05 -0.04 0.89 0.92 2fq6B1 VAL 213 H -0.02 0.44 -0.09 -0.55 8.24 8.03 2fq6B1 VAL 213 HA 0.05 0.10 0.51 -0.75 4.13 4.03 2fq6B1 VAL 213 HB -0.04 0.16 0.10 -0.04 2.12 2.29 2fq6B1 VAL 213 HG13 0.05 -0.14 -0.13 -0.04 0.97 0.70 2fq6B1 VAL 213 HG23 -0.01 -0.01 -0.23 -0.04 0.95 0.66 2fq6B1 GLY 214 H -0.04 0.57 0.00 -0.55 8.43 8.42 2fq6B1 GLY 214 HA2 -0.04 0.35 0.38 -0.51 4.01 4.20 2fq6B1 GLY 214 HA3 0.05 0.14 0.10 -0.51 4.01 3.79 2fq6B1 HIS 215 H 0.11 -0.02 -0.26 -0.55 8.41 7.69 2fq6B1 HIS 215 HA 0.19 0.08 0.87 -0.75 4.63 5.02 2fq6B1 HIS 215 HB2 0.08 -0.02 -0.05 -0.04 3.26 3.23 2fq6B1 HIS 215 HB3 0.22 -0.02 0.11 -0.04 3.20 3.46 2fq6B1 HIS 215 HD2 0.05 -0.06 0.01 -0.04 6.97 6.93 2fq6B1 HIS 215 HE1 0.06 0.04 -0.03 -0.04 7.75 7.77 2fq6B1 SER 216 H -0.06 0.14 0.04 -0.55 8.46 8.04 2fq6B1 SER 216 HA -0.12 0.08 0.31 -0.75 4.49 4.01 2fq6B1 SER 216 HB2 -0.13 0.22 0.01 -0.04 3.95 4.00 2fq6B1 SER 216 HB3 -0.12 0.01 0.12 -0.04 3.93 3.90 2fq6B1 ASP 217 H 0.03 -0.04 -0.23 -0.55 8.40 7.60 2fq6B1 ASP 217 HA 0.00 0.23 0.88 -0.75 4.63 4.98 2fq6B1 ASP 217 HB2 0.03 -0.02 0.13 -0.04 2.71 2.80 2fq6B1 ASP 217 HB3 0.06 0.12 -0.15 -0.04 2.70 2.69 2fq6B1 ALA 218 H -0.01 0.14 0.10 -0.55 8.40 8.09 2fq6B1 ALA 218 HA -0.00 0.16 0.50 -0.75 4.34 4.24 2fq6B1 ALA 218 HB3 0.01 0.03 -0.04 -0.04 1.41 1.36 2fq6B1 MET 219 H -0.00 0.24 0.16 -0.55 8.47 8.32 2fq6B1 MET 219 HA -0.04 0.01 0.91 -0.75 4.52 4.65 2fq6B1 MET 219 HB2 -0.00 0.12 0.15 -0.04 2.15 2.38 2fq6B1 MET 219 HB3 -0.02 -0.15 0.15 -0.04 2.03 1.97 2fq6B1 MET 219 HG2 -0.04 0.07 -0.26 -0.04 2.63 2.35 2fq6B1 MET 219 HG3 -0.02 0.01 -0.19 -0.04 2.56 2.33 2fq6B1 MET 219 HE3 -0.02 -0.03 0.01 -0.04 2.10 2.01 2fq6B1 ILE 220 H -0.01 0.01 0.15 -0.55 8.25 7.85 2fq6B1 ILE 220 HA 0.06 0.28 0.30 -0.75 4.18 4.07 2fq6B1 ILE 220 HB 0.03 0.14 -0.09 -0.04 1.89 1.93 2fq6B1 ILE 220 HG12 0.06 -0.15 -0.45 -0.04 1.49 0.90 2fq6B1 ILE 220 HG13 0.08 0.19 0.02 -0.04 1.21 1.46 2fq6B1 ILE 220 HG23 0.00 -0.06 -0.48 -0.04 0.93 0.36 2fq6B1 ILE 220 HD13 0.04 0.00 -0.17 -0.04 0.88 0.72 2fq6B1 GLY 221 H 0.15 0.66 0.01 -0.55 8.43 8.71 2fq6B1 GLY 221 HA2 0.07 0.10 0.90 -0.51 4.01 4.56 2fq6B1 GLY 221 HA3 0.13 0.11 0.12 -0.51 4.01 3.86 2fq6B1 THR 222 H 0.12 0.48 0.36 -0.55 8.28 8.69 2fq6B1 THR 222 HA 0.24 0.37 0.82 -0.75 4.39 5.06 2fq6B1 THR 222 HB 0.10 0.09 -0.06 -0.04 4.32 4.41 2fq6B1 THR 222 HG23 0.08 -0.01 -0.26 -0.04 1.22 0.99 2fq6B1 ALA 223 H 0.29 0.65 0.20 -0.55 8.40 8.99 2fq6B1 ALA 223 HA 0.14 0.19 0.59 -0.75 4.34 4.51 2fq6B1 ALA 223 HB3 0.29 0.00 0.00 -0.04 1.41 1.66 2fq6B1 VAL 224 H 0.08 0.59 0.19 -0.55 8.24 8.55 2fq6B1 VAL 224 HA 0.01 0.32 1.06 -0.75 4.13 4.76 2fq6B1 VAL 224 HB 0.02 -0.03 0.10 -0.04 2.12 2.16 2fq6B1 VAL 224 HG13 -0.05 0.03 -0.19 -0.04 0.97 0.72 2fq6B1 VAL 224 HG23 0.02 0.00 -0.14 -0.04 0.95 0.79 2fq6B1 CYS 225 H -0.04 0.59 0.36 -0.55 8.50 8.85 2fq6B1 CYS 225 HA 0.09 0.22 0.66 -0.75 4.58 4.80 2fq6B1 CYS 225 HB2 0.17 -0.08 0.06 -0.04 2.97 3.09 2fq6B1 CYS 225 HB3 0.26 0.04 -0.07 -0.04 2.97 3.16 2fq6B1 ASN 226 H 0.05 0.57 0.34 -0.55 8.53 8.94 2fq6B1 ASN 226 HA 0.00 0.13 0.85 -0.75 4.76 4.98 2fq6B1 ASN 226 HB2 0.02 -0.06 0.25 -0.04 2.88 3.05 2fq6B1 ASN 226 HB3 0.01 0.20 0.26 -0.04 2.79 3.22 2fq6B1 ASN 226 HD21 0.01 0.03 0.06 -0.04 7.03 7.08 2fq6B1 ASN 226 HD22 0.01 0.14 0.05 -0.04 7.74 7.90 2fq6B1 ALA 227 H 0.04 0.24 0.17 -0.55 8.40 8.30 2fq6B1 ALA 227 HA 0.18 0.07 0.55 -0.75 4.34 4.39 2fq6B1 ALA 227 HB3 0.07 0.04 0.11 -0.04 1.41 1.58 2fq6B1 ARG 228 H 0.07 0.10 -0.11 -0.55 8.46 7.98 2fq6B1 ARG 228 HA 0.08 0.09 0.44 -0.75 4.34 4.21 2fq6B1 ARG 228 HB2 0.05 0.01 0.10 -0.04 1.90 2.02 2fq6B1 ARG 228 HB3 0.06 -0.05 0.06 -0.04 1.80 1.82 2fq6B1 ARG 228 HG2 0.08 0.02 -0.24 -0.04 1.67 1.48 2fq6B1 ARG 228 HG3 0.05 0.00 0.03 -0.04 1.67 1.71 2fq6B1 ARG 228 HD2 0.02 -0.00 0.01 -0.04 3.22 3.21 2fq6B1 ARG 228 HD3 0.01 -0.03 -0.01 -0.04 3.22 3.15 2fq6B1 CYS 229 H 0.15 0.14 -0.32 -0.55 8.50 7.93 2fq6B1 CYS 229 HA 0.30 0.23 0.70 -0.75 4.58 5.06 2fq6B1 CYS 229 HB2 0.13 0.03 0.04 -0.04 2.97 3.13 2fq6B1 CYS 229 HB3 0.28 -0.01 0.01 -0.04 2.97 3.20 2fq6B1 TRP 230 H 0.35 0.33 -0.19 -0.55 7.97 7.91 2fq6B1 TRP 230 HA 0.12 0.01 0.22 -0.75 4.62 4.22 2fq6B1 TRP 230 HB2 0.06 0.06 -0.04 -0.04 3.23 3.26 2fq6B1 TRP 230 HB3 0.04 0.05 0.06 -0.04 3.23 3.34 2fq6B1 TRP 230 HD1 0.06 -0.04 -0.10 -0.04 7.22 7.11 2fq6B1 TRP 230 HE1 0.02 0.04 -0.12 -0.04 10.20 10.10 2fq6B1 TRP 230 HE3 0.01 -0.03 -0.07 -0.04 7.59 7.46 2fq6B1 TRP 230 HZ2 -0.02 0.02 0.04 -0.04 7.44 7.44 2fq6B1 TRP 230 HZ3 -0.02 -0.02 0.00 -0.04 7.13 7.06 2fq6B1 TRP 230 HH2 -0.04 0.02 0.06 -0.04 7.19 7.19 2fq6B1 GLU 231 H 0.05 0.23 -0.10 -0.55 8.60 8.23 2fq6B1 GLU 231 HA -0.55 0.05 0.37 -0.75 4.29 3.41 2fq6B1 GLU 231 HB2 -0.19 0.03 0.10 -0.04 2.09 1.99 2fq6B1 GLU 231 HB3 -0.08 0.05 0.07 -0.04 1.99 2.00 2fq6B1 GLU 231 HG2 -0.16 0.00 -0.19 -0.04 2.34 1.96 2fq6B1 GLU 231 HG3 -0.27 -0.01 0.04 -0.04 2.34 2.05 2fq6B1 GLN 232 H 0.01 0.19 -0.29 -0.55 8.47 7.84 2fq6B1 GLN 232 HA -0.14 0.03 0.22 -0.75 4.36 3.72 2fq6B1 GLN 232 HB2 -0.07 -0.01 0.07 -0.04 2.15 2.10 2fq6B1 GLN 232 HB3 -0.08 0.05 0.09 -0.04 2.02 2.03 2fq6B1 GLN 232 HG2 -0.96 0.04 -0.25 -0.04 2.40 1.20 2fq6B1 GLN 232 HG3 -0.28 -0.04 0.06 -0.04 2.39 2.09 2fq6B1 GLN 232 HE21 0.02 -0.01 0.06 -0.04 6.97 7.00 2fq6B1 GLN 232 HE22 -0.29 0.59 0.27 -0.04 7.69 8.21 2fq6B1 LEU 233 H 0.05 0.43 -0.13 -0.55 8.37 8.18 2fq6B1 LEU 233 HA -0.10 0.07 0.39 -0.75 4.35 3.94 2fq6B1 LEU 233 HB2 0.48 0.06 0.06 -0.04 1.64 2.19 2fq6B1 LEU 233 HB3 0.31 0.07 0.09 -0.04 1.64 2.07 2fq6B1 LEU 233 HG 0.35 -0.04 -0.14 -0.04 1.64 1.77 2fq6B1 LEU 233 HD13 0.32 -0.01 -0.03 -0.04 0.93 1.17 2fq6B1 LEU 233 HD23 0.42 -0.01 -0.10 -0.04 0.89 1.16 2fq6B1 ARG 234 H -0.05 0.63 -0.15 -0.55 8.46 8.33 2fq6B1 ARG 234 HA 0.05 -0.03 0.25 -0.75 4.34 3.86 2fq6B1 ARG 234 HB2 -0.24 -0.00 0.05 -0.04 1.90 1.67 2fq6B1 ARG 234 HB3 -0.40 0.09 0.16 -0.04 1.80 1.60 2fq6B1 ARG 234 HG2 -0.13 -0.02 -0.15 -0.04 1.67 1.32 2fq6B1 ARG 234 HG3 0.03 -0.04 0.03 -0.04 1.67 1.65 2fq6B1 ARG 234 HD2 -0.17 0.03 0.05 -0.04 3.22 3.08 2fq6B1 ARG 234 HD3 -0.71 -0.03 -0.01 -0.04 3.22 2.43 2fq6B1 GLU 235 H -0.14 0.74 0.05 -0.55 8.60 8.71 2fq6B1 GLU 235 HA -0.03 0.01 0.45 -0.75 4.29 3.97 2fq6B1 GLU 235 HB2 -0.11 0.09 0.11 -0.04 2.09 2.14 2fq6B1 GLU 235 HB3 -0.06 -0.04 0.05 -0.04 1.99 1.89 2fq6B1 GLU 235 HG2 -0.23 0.11 0.11 -0.04 2.34 2.28 2fq6B1 GLU 235 HG3 -0.16 -0.04 0.02 -0.04 2.34 2.12 2fq6B1 ASN 236 H -0.06 0.57 -0.13 -0.55 8.53 8.36 2fq6B1 ASN 236 HA -0.00 0.01 0.49 -0.75 4.76 4.50 2fq6B1 ASN 236 HB2 -0.12 0.19 0.21 -0.04 2.88 3.13 2fq6B1 ASN 236 HB3 -0.04 -0.05 0.07 -0.04 2.79 2.74 2fq6B1 ASN 236 HD21 -0.11 -0.12 0.06 -0.04 7.03 6.82 2fq6B1 ASN 236 HD22 -0.22 0.48 0.19 -0.04 7.74 8.15 2fq6B1 ALA 237 H 0.05 0.62 -0.09 -0.55 8.40 8.43 2fq6B1 ALA 237 HA 0.12 -0.00 0.48 -0.75 4.34 4.19 2fq6B1 ALA 237 HB3 0.13 0.00 0.05 -0.04 1.41 1.56 2fq6B1 TYR 238 H 0.14 0.56 -0.18 -0.55 8.29 8.26 2fq6B1 TYR 238 HA -0.02 0.06 0.48 -0.75 4.56 4.33 2fq6B1 TYR 238 HB2 -0.03 0.14 0.18 -0.04 3.06 3.30 2fq6B1 TYR 238 HB3 -0.02 0.12 0.15 -0.04 2.98 3.18 2fq6B1 TYR 238 HD2 0.00 0.08 -0.05 -0.04 7.15 7.14 2fq6B1 TYR 238 HE2 0.08 -0.03 -0.31 -0.04 6.85 6.55 2fq6B1 LEU 239 H 0.08 0.48 -0.19 -0.55 8.37 8.19 2fq6B1 LEU 239 HA -0.03 -0.01 0.42 -0.75 4.35 3.98 2fq6B1 LEU 239 HB2 0.03 0.16 0.19 -0.04 1.64 1.98 2fq6B1 LEU 239 HB3 0.01 -0.03 0.02 -0.04 1.64 1.60 2fq6B1 LEU 239 HG 0.02 -0.04 0.04 -0.04 1.64 1.62 2fq6B1 LEU 239 HD13 0.06 -0.03 0.02 -0.04 0.93 0.95 2fq6B1 LEU 239 HD23 0.02 0.05 -0.01 -0.04 0.89 0.91 2fq6B1 MET 240 H 0.01 0.33 -0.48 -0.55 8.47 7.78 2fq6B1 MET 240 HA -0.00 0.09 0.69 -0.75 4.52 4.54 2fq6B1 MET 240 HB2 0.06 0.08 0.12 -0.04 2.15 2.37 2fq6B1 MET 240 HB3 0.04 -0.11 0.15 -0.04 2.03 2.07 2fq6B1 MET 240 HG2 0.04 0.24 -0.00 -0.04 2.63 2.86 2fq6B1 MET 240 HG3 0.06 -0.09 -0.02 -0.04 2.56 2.48 2fq6B1 MET 240 HE3 0.04 -0.03 -0.00 -0.04 2.10 2.07 2fq6B1 GLY 241 H -0.15 0.61 -0.42 -0.55 8.43 7.92 2fq6B1 GLY 241 HA2 -0.25 0.06 0.31 -0.51 4.01 3.61 2fq6B1 GLY 241 HA3 -0.09 -0.07 0.33 -0.51 4.01 3.67 2fq6B1 GLN 242 H -0.03 0.43 -0.23 -0.55 8.47 8.09 2fq6B1 GLN 242 HA 0.01 -0.02 0.63 -0.75 4.36 4.22 2fq6B1 GLN 242 HB2 -0.06 0.02 0.01 -0.04 2.15 2.07 2fq6B1 GLN 242 HB3 -0.03 -0.08 0.03 -0.04 2.02 1.90 2fq6B1 GLN 242 HG2 0.10 0.13 -0.07 -0.04 2.40 2.51 2fq6B1 GLN 242 HG3 0.33 -0.09 -0.02 -0.04 2.39 2.57 2fq6B1 GLN 242 HE21 0.05 -0.12 -0.04 -0.04 6.97 6.82 2fq6B1 GLN 242 HE22 0.04 0.57 -0.17 -0.04 7.69 8.08 2fq6B1 MET 243 H -0.02 0.27 0.32 -0.55 8.47 8.50 2fq6B1 MET 243 HA -0.09 0.12 0.38 -0.75 4.52 4.17 2fq6B1 MET 243 HB2 -0.10 -0.06 0.10 -0.04 2.15 2.04 2fq6B1 MET 243 HB3 -0.05 0.32 0.01 -0.04 2.03 2.27 2fq6B1 MET 243 HG2 -0.04 0.20 -0.16 -0.04 2.63 2.58 2fq6B1 MET 243 HG3 -0.03 -0.14 -0.30 -0.04 2.56 2.05 2fq6B1 MET 243 HE3 -0.08 -0.03 -0.14 -0.04 2.10 1.82 2fq6B1 VAL 244 H 0.00 0.26 0.07 -0.55 8.24 8.02 2fq6B1 VAL 244 HA 0.05 0.14 0.68 -0.75 4.13 4.24 2fq6B1 VAL 244 HB 0.06 0.04 -0.29 -0.04 2.12 1.89 2fq6B1 VAL 244 HG13 0.12 0.02 -0.17 -0.04 0.97 0.90 2fq6B1 VAL 244 HG23 0.05 -0.03 0.11 -0.04 0.95 1.04 2fq6B1 ASP 245 H 0.05 0.13 0.14 -0.55 8.40 8.17 2fq6B1 ASP 245 HA 0.10 0.19 0.52 -0.75 4.63 4.69 2fq6B1 ASP 245 HB2 0.01 -0.04 0.14 -0.04 2.71 2.78 2fq6B1 ASP 245 HB3 0.02 0.13 0.13 -0.04 2.70 2.94 2fq6B1 ALA 246 H 0.05 0.20 0.20 -0.55 8.40 8.30 2fq6B1 ALA 246 HA -0.53 0.08 0.32 -0.75 4.34 3.46 2fq6B1 ALA 246 HB3 -0.09 0.01 0.08 -0.04 1.41 1.36 2fq6B1 ASP 247 H -0.04 0.09 -0.14 -0.55 8.40 7.75 2fq6B1 ASP 247 HA -0.04 0.10 0.43 -0.75 4.63 4.38 2fq6B1 ASP 247 HB2 -0.02 -0.04 0.06 -0.04 2.71 2.67 2fq6B1 ASP 247 HB3 -0.02 0.09 -0.04 -0.04 2.70 2.69 2fq6B1 THR 248 H -0.00 0.08 -0.20 -0.55 8.28 7.60 2fq6B1 THR 248 HA 0.02 0.08 0.46 -0.75 4.39 4.19 2fq6B1 THR 248 HB 0.02 0.05 0.09 -0.04 4.32 4.44 2fq6B1 THR 248 HG23 0.02 0.07 -0.12 -0.04 1.22 1.14 2fq6B1 ALA 249 H -0.05 0.42 -0.28 -0.55 8.40 7.94 2fq6B1 ALA 249 HA -0.02 0.00 0.28 -0.75 4.34 3.85 2fq6B1 ALA 249 HB3 -0.18 0.04 -0.04 -0.04 1.41 1.18 2fq6B1 TYR 250 H 0.04 0.47 -0.11 -0.55 8.29 8.14 2fq6B1 TYR 250 HA -0.08 0.05 0.45 -0.75 4.56 4.23 2fq6B1 TYR 250 HB2 -0.09 -0.03 0.07 -0.04 3.06 2.97 2fq6B1 TYR 250 HB3 -0.07 0.16 0.16 -0.04 2.98 3.19 2fq6B1 TYR 250 HD2 -0.05 0.04 -0.21 -0.04 7.15 6.89 2fq6B1 TYR 250 HE2 -0.03 0.16 -0.09 -0.04 6.85 6.85 2fq6B1 ILE 251 H 0.12 0.45 -0.19 -0.55 8.25 8.08 2fq6B1 ILE 251 HA -0.02 0.04 0.38 -0.75 4.18 3.82 2fq6B1 ILE 251 HB 0.05 0.04 0.13 -0.04 1.89 2.07 2fq6B1 ILE 251 HG12 0.21 0.03 0.00 -0.04 1.49 1.68 2fq6B1 ILE 251 HG13 0.06 -0.04 -0.05 -0.04 1.21 1.14 2fq6B1 ILE 251 HG23 0.01 -0.01 -0.15 -0.04 0.93 0.74 2fq6B1 ILE 251 HD13 0.07 0.00 -0.03 -0.04 0.88 0.88 2fq6B1 THR 252 H -0.02 0.53 -0.22 -0.55 8.28 8.02 2fq6B1 THR 252 HA -0.01 0.07 0.50 -0.75 4.39 4.19 2fq6B1 THR 252 HB -0.02 0.08 0.07 -0.04 4.32 4.41 2fq6B1 THR 252 HG23 0.00 -0.03 -0.21 -0.04 1.22 0.95 2fq6B1 SER 253 H -0.09 0.58 -0.00 -0.55 8.46 8.40 2fq6B1 SER 253 HA -0.06 0.00 0.40 -0.75 4.49 4.08 2fq6B1 SER 253 HB2 -0.22 0.10 0.17 -0.04 3.95 3.96 2fq6B1 SER 253 HB3 -0.13 0.05 -0.01 -0.04 3.93 3.79 2fq6B1 ARG 254 H -0.25 0.46 -0.30 -0.55 8.46 7.82 2fq6B1 ARG 254 HA -0.17 0.02 0.40 -0.75 4.34 3.84 2fq6B1 ARG 254 HB2 -0.48 0.06 0.09 -0.04 1.90 1.52 2fq6B1 ARG 254 HB3 -0.15 0.13 0.11 -0.04 1.80 1.84 2fq6B1 ARG 254 HG2 -0.08 0.01 -0.12 -0.04 1.67 1.44 2fq6B1 ARG 254 HG3 -0.13 -0.03 0.03 -0.04 1.67 1.49 2fq6B1 ARG 254 HD2 -0.04 -0.02 -0.05 -0.04 3.22 3.07 2fq6B1 ARG 254 HD3 -0.01 -0.01 -0.04 -0.04 3.22 3.12 2fq6B1 GLY 255 H -0.04 0.53 -0.05 -0.55 8.43 8.33 2fq6B1 GLY 255 HA2 0.08 -0.07 0.58 -0.51 4.01 4.10 2fq6B1 GLY 255 HA3 0.05 0.34 0.51 -0.51 4.01 4.40 2fq6B1 LEU 256 H -0.01 0.40 -0.25 -0.55 8.37 7.96 2fq6B1 LEU 256 HA 0.03 -0.09 0.29 -0.75 4.35 3.83 2fq6B1 LEU 256 HB2 -0.02 0.31 0.14 -0.04 1.64 2.04 2fq6B1 LEU 256 HB3 0.00 -0.09 0.09 -0.04 1.64 1.60 2fq6B1 LEU 256 HG -0.01 0.18 0.07 -0.04 1.64 1.84 2fq6B1 LEU 256 HD13 -0.01 -0.01 -0.02 -0.04 0.93 0.85 2fq6B1 LEU 256 HD23 0.02 -0.05 -0.05 -0.04 0.89 0.77 2fq6B1 ARG 257 H -0.01 0.38 -0.56 -0.55 8.46 7.72 2fq6B1 ARG 257 HA 0.00 0.10 0.07 -0.75 4.34 3.76 2fq6B1 ARG 257 HB2 -0.00 0.03 0.09 -0.04 1.90 1.98 2fq6B1 ARG 257 HB3 -0.00 -0.11 0.08 -0.04 1.80 1.73 2fq6B1 ARG 257 HG2 -0.05 0.15 0.21 -0.04 1.67 1.94 2fq6B1 ARG 257 HG3 -0.04 -0.14 0.08 -0.04 1.67 1.53 2fq6B1 ARG 257 HD2 -0.02 0.02 0.14 -0.04 3.22 3.33 2fq6B1 ARG 257 HD3 -0.02 0.10 0.02 -0.04 3.22 3.28 2fq6B1 THR 258 H 0.05 0.43 -0.17 -0.55 8.28 8.04 2fq6B1 THR 258 HA 0.03 0.09 0.89 -0.75 4.39 4.65 2fq6B1 THR 258 HB 0.06 -0.12 0.16 -0.04 4.32 4.38 2fq6B1 THR 258 HG23 0.05 0.00 -0.03 -0.04 1.22 1.20 2fq6B1 LEU 259 H 0.04 0.63 -0.25 -0.55 8.37 8.24 2fq6B1 LEU 259 HA 0.08 0.07 0.32 -0.75 4.35 4.08 2fq6B1 LEU 259 HB2 0.06 0.18 0.06 -0.04 1.64 1.90 2fq6B1 LEU 259 HB3 0.04 0.07 0.13 -0.04 1.64 1.84 2fq6B1 LEU 259 HG 0.03 -0.09 -0.14 -0.04 1.64 1.40 2fq6B1 LEU 259 HD13 0.10 -0.00 -0.10 -0.04 0.93 0.89 2fq6B1 LEU 259 HD23 0.04 -0.00 -0.04 -0.04 0.89 0.85 2fq6B1 GLY 260 H 0.03 0.23 -0.19 -0.55 8.43 7.96 2fq6B1 GLY 260 HA2 0.02 0.06 0.38 -0.51 4.01 3.97 2fq6B1 GLY 260 HA3 0.02 0.03 0.27 -0.51 4.01 3.81 2fq6B1 VAL 261 H 0.02 0.17 -0.12 -0.55 8.24 7.76 2fq6B1 VAL 261 HA -0.00 0.03 0.40 -0.75 4.13 3.81 2fq6B1 VAL 261 HB -0.01 -0.01 0.07 -0.04 2.12 2.13 2fq6B1 VAL 261 HG13 0.00 -0.00 0.06 -0.04 0.97 0.99 2fq6B1 VAL 261 HG23 0.01 0.02 0.03 -0.04 0.95 0.97 2fq6B1 ARG 262 H 0.03 0.50 -0.31 -0.55 8.46 8.14 2fq6B1 ARG 262 HA -0.08 0.03 0.48 -0.75 4.34 4.02 2fq6B1 ARG 262 HB2 0.11 0.12 0.15 -0.04 1.90 2.24 2fq6B1 ARG 262 HB3 0.22 -0.04 -0.03 -0.04 1.80 1.90 2fq6B1 ARG 262 HG2 0.01 -0.08 0.01 -0.04 1.67 1.57 2fq6B1 ARG 262 HG3 0.04 0.04 0.04 -0.04 1.67 1.75 2fq6B1 ARG 262 HD2 0.11 0.01 -0.03 -0.04 3.22 3.27 2fq6B1 ARG 262 HD3 0.01 -0.06 -0.02 -0.04 3.22 3.11 2fq6B1 LEU 263 H 0.06 0.69 0.08 -0.55 8.37 8.65 2fq6B1 LEU 263 HA 0.11 -0.05 0.51 -0.75 4.35 4.17 2fq6B1 LEU 263 HB2 0.01 0.12 0.18 -0.04 1.64 1.91 2fq6B1 LEU 263 HB3 -0.01 -0.01 -0.01 -0.04 1.64 1.56 2fq6B1 LEU 263 HG -0.05 0.11 0.12 -0.04 1.64 1.77 2fq6B1 LEU 263 HD13 -0.04 -0.02 -0.09 -0.04 0.93 0.74 2fq6B1 LEU 263 HD23 -0.56 -0.03 0.03 -0.04 0.89 0.29 2fq6B1 ARG 264 H 0.02 0.56 -0.21 -0.55 8.46 8.28 2fq6B1 ARG 264 HA 0.04 0.02 0.51 -0.75 4.34 4.15 2fq6B1 ARG 264 HB2 -0.01 0.11 0.15 -0.04 1.90 2.11 2fq6B1 ARG 264 HB3 -0.02 -0.06 0.05 -0.04 1.80 1.73 2fq6B1 ARG 264 HG2 0.00 -0.03 0.08 -0.04 1.67 1.69 2fq6B1 ARG 264 HG3 0.02 0.13 0.08 -0.04 1.67 1.86 2fq6B1 ARG 264 HD2 -0.02 -0.02 0.03 -0.04 3.22 3.17 2fq6B1 ARG 264 HD3 0.00 -0.03 0.02 -0.04 3.22 3.17 2fq6B1 GLN 265 H -0.05 0.39 -0.24 -0.55 8.47 8.03 2fq6B1 GLN 265 HA -0.03 -0.03 0.46 -0.75 4.36 4.01 2fq6B1 GLN 265 HB2 -0.07 0.01 0.16 -0.04 2.15 2.21 2fq6B1 GLN 265 HB3 -0.20 0.16 0.23 -0.04 2.02 2.17 2fq6B1 GLN 265 HG2 -0.12 0.00 0.01 -0.04 2.40 2.25 2fq6B1 GLN 265 HG3 -0.11 0.02 -0.22 -0.04 2.39 2.04 2fq6B1 GLN 265 HE21 -0.03 -0.10 0.02 -0.04 6.97 6.81 2fq6B1 GLN 265 HE22 -0.04 0.10 -0.02 -0.04 7.69 7.69 2fq6B1 HIS 266 H -0.18 0.70 0.06 -0.55 8.41 8.43 2fq6B1 HIS 266 HA 0.03 0.10 0.46 -0.75 4.63 4.46 2fq6B1 HIS 266 HB2 -0.06 0.09 0.13 -0.04 3.26 3.38 2fq6B1 HIS 266 HB3 0.00 -0.19 -0.08 -0.04 3.20 2.89 2fq6B1 HIS 266 HD2 0.01 -0.09 -0.43 -0.04 6.97 6.41 2fq6B1 HIS 266 HE1 0.25 0.04 0.01 -0.04 7.75 8.01 2fq6B1 HIS 267 H 0.19 0.73 -0.18 -0.55 8.41 8.61 2fq6B1 HIS 267 HA 0.08 0.04 0.37 -0.75 4.63 4.37 2fq6B1 HIS 267 HB2 0.05 0.36 0.28 -0.04 3.26 3.91 2fq6B1 HIS 267 HB3 0.05 0.03 0.28 -0.04 3.20 3.52 2fq6B1 HIS 267 HD2 0.05 -0.03 -0.56 -0.04 6.97 6.39 2fq6B1 HIS 267 HE1 0.37 0.06 -0.04 -0.04 7.75 8.09 2fq6B1 GLU 268 H 0.09 0.72 0.09 -0.55 8.60 8.96 2fq6B1 GLU 268 HA 0.07 -0.03 0.44 -0.75 4.29 4.01 2fq6B1 GLU 268 HB2 -0.03 0.03 0.18 -0.04 2.09 2.24 2fq6B1 GLU 268 HB3 0.01 0.07 0.22 -0.04 1.99 2.25 2fq6B1 GLU 268 HG2 0.01 -0.05 -0.18 -0.04 2.34 2.08 2fq6B1 GLU 268 HG3 -0.00 -0.04 0.05 -0.04 2.34 2.30 2fq6B1 SER 269 H 0.06 0.76 -0.09 -0.55 8.46 8.63 2fq6B1 SER 269 HA 0.03 -0.07 0.43 -0.75 4.49 4.12 2fq6B1 SER 269 HB2 0.05 0.21 0.10 -0.04 3.95 4.27 2fq6B1 SER 269 HB3 0.04 -0.13 -0.03 -0.04 3.93 3.78 2fq6B1 SER 270 H 0.12 0.72 -0.07 -0.55 8.46 8.68 2fq6B1 SER 270 HA 0.21 -0.05 0.47 -0.75 4.49 4.37 2fq6B1 SER 270 HB2 0.27 -0.10 0.02 -0.04 3.95 4.10 2fq6B1 SER 270 HB3 0.20 0.03 0.22 -0.04 3.93 4.34 2fq6B1 LEU 271 H 0.03 0.65 -0.14 -0.55 8.37 8.36 2fq6B1 LEU 271 HA -0.49 -0.02 0.49 -0.75 4.35 3.59 2fq6B1 LEU 271 HB2 -0.11 0.04 0.09 -0.04 1.64 1.62 2fq6B1 LEU 271 HB3 0.01 0.13 0.11 -0.04 1.64 1.85 2fq6B1 LEU 271 HG -0.08 -0.03 -0.14 -0.04 1.64 1.35 2fq6B1 LEU 271 HD13 -0.38 -0.03 -0.04 -0.04 0.93 0.44 2fq6B1 LEU 271 HD23 0.08 0.00 -0.03 -0.04 0.89 0.90 2fq6B1 LYS 272 H 0.01 0.53 -0.09 -0.55 8.42 8.31 2fq6B1 LYS 272 HA 0.02 0.02 0.46 -0.75 4.32 4.06 2fq6B1 LYS 272 HB2 0.01 0.07 0.13 -0.04 1.87 2.04 2fq6B1 LYS 272 HB3 0.02 0.08 0.14 -0.04 1.79 1.99 2fq6B1 LYS 272 HG2 0.02 -0.03 -0.14 -0.04 1.46 1.27 2fq6B1 LYS 272 HG3 0.03 -0.01 0.05 -0.04 1.46 1.49 2fq6B1 LYS 272 HD2 0.00 0.03 -0.00 -0.04 1.69 1.67 2fq6B1 LYS 272 HD3 -0.02 -0.08 -0.05 -0.04 1.68 1.49 2fq6B1 LYS 272 HE2 -0.00 0.01 -0.04 -0.04 2.99 2.92 2fq6B1 LYS 272 HE3 0.00 0.03 -0.02 -0.04 2.99 2.97 2fq6B1 VAL 273 H 0.07 0.56 -0.19 -0.55 8.24 8.12 2fq6B1 VAL 273 HA 0.21 -0.01 0.34 -0.75 4.13 3.91 2fq6B1 VAL 273 HB 0.30 0.13 0.13 -0.04 2.12 2.64 2fq6B1 VAL 273 HG13 0.41 -0.02 -0.14 -0.04 0.97 1.18 2fq6B1 VAL 273 HG23 0.13 0.03 0.00 -0.04 0.95 1.07 2fq6B1 ALA 274 H -0.10 0.51 -0.24 -0.55 8.40 8.02 2fq6B1 ALA 274 HA 0.06 -0.02 0.28 -0.75 4.34 3.91 2fq6B1 ALA 274 HB3 -0.58 0.02 0.06 -0.04 1.41 0.87 2fq6B1 GLU 275 H -0.06 0.68 -0.07 -0.55 8.60 8.61 2fq6B1 GLU 275 HA -0.05 0.03 0.49 -0.75 4.29 4.01 2fq6B1 GLU 275 HB2 0.03 0.08 0.14 -0.04 2.09 2.29 2fq6B1 GLU 275 HB3 0.01 -0.04 0.01 -0.04 1.99 1.92 2fq6B1 GLU 275 HG2 -0.08 -0.04 0.03 -0.04 2.34 2.21 2fq6B1 GLU 275 HG3 -0.11 0.16 0.07 -0.04 2.34 2.41 2fq6B1 TRP 276 H 0.26 0.49 -0.21 -0.55 7.97 7.97 2fq6B1 TRP 276 HA 0.01 0.02 0.40 -0.75 4.62 4.29 2fq6B1 TRP 276 HB2 0.02 -0.03 0.08 -0.04 3.23 3.26 2fq6B1 TRP 276 HB3 0.04 0.11 0.15 -0.04 3.23 3.49 2fq6B1 TRP 276 HD1 0.04 -0.01 -0.01 -0.04 7.22 7.20 2fq6B1 TRP 276 HE1 0.10 -0.01 -0.05 -0.04 10.20 10.20 2fq6B1 TRP 276 HE3 0.06 0.15 -0.05 -0.04 7.59 7.71 2fq6B1 TRP 276 HZ2 0.27 -0.02 -0.05 -0.04 7.44 7.60 2fq6B1 TRP 276 HZ3 0.08 -0.04 -0.09 -0.04 7.13 7.04 2fq6B1 TRP 276 HH2 0.32 -0.03 -0.25 -0.04 7.19 7.18 2fq6B1 LEU 277 H 0.22 0.70 -0.05 -0.55 8.37 8.70 2fq6B1 LEU 277 HA -0.54 -0.02 0.47 -0.75 4.35 3.50 2fq6B1 LEU 277 HB2 0.01 0.08 0.10 -0.04 1.64 1.79 2fq6B1 LEU 277 HB3 -0.29 -0.07 -0.04 -0.04 1.64 1.21 2fq6B1 LEU 277 HG 0.35 0.13 0.01 -0.04 1.64 2.09 2fq6B1 LEU 277 HD13 0.01 -0.03 -0.15 -0.04 0.93 0.71 2fq6B1 LEU 277 HD23 -0.42 -0.03 -0.06 -0.04 0.89 0.33 2fq6B1 ALA 278 H -0.07 0.58 -0.24 -0.55 8.40 8.13 2fq6B1 ALA 278 HA -0.08 -0.02 0.25 -0.75 4.34 3.73 2fq6B1 ALA 278 HB3 -0.07 0.01 0.10 -0.04 1.41 1.40 2fq6B1 GLU 279 H -0.18 0.31 -0.44 -0.55 8.60 7.75 2fq6B1 GLU 279 HA -0.13 0.10 0.62 -0.75 4.29 4.12 2fq6B1 GLU 279 HB2 -0.17 0.08 0.07 -0.04 2.09 2.03 2fq6B1 GLU 279 HB3 -0.14 -0.09 0.12 -0.04 1.99 1.84 2fq6B1 GLU 279 HG2 -0.07 -0.03 -0.00 -0.04 2.34 2.19 2fq6B1 GLU 279 HG3 -0.06 0.09 -0.03 -0.04 2.34 2.30 2fq6B1 HIS 280 H -0.28 0.49 -0.34 -0.55 8.41 7.73 2fq6B1 HIS 280 HA -0.44 0.10 0.58 -0.75 4.63 4.11 2fq6B1 HIS 280 HB2 -1.04 0.12 0.12 -0.04 3.26 2.42 2fq6B1 HIS 280 HB3 -0.68 0.01 0.14 -0.04 3.20 2.63 2fq6B1 HIS 280 HD2 -1.00 0.02 -0.04 -0.04 6.97 5.91 2fq6B1 HIS 280 HE1 -0.49 0.01 -0.02 -0.04 7.75 7.21 2fq6B1 PRO 281 HA -0.17 0.14 0.34 -0.51 4.44 4.25 2fq6B1 PRO 281 HB2 -0.20 -0.01 -0.02 -0.04 2.28 2.01 2fq6B1 PRO 281 HB3 -0.16 0.02 0.10 -0.04 2.02 1.94 2fq6B1 PRO 281 HG2 -0.38 -0.01 0.09 -0.04 2.03 1.70 2fq6B1 PRO 281 HG3 -0.27 0.07 0.13 -0.04 2.03 1.91 2fq6B1 PRO 281 HD2 -1.60 0.02 0.21 -0.04 3.68 2.27 2fq6B1 PRO 281 HD3 -0.58 0.30 0.33 -0.04 3.65 3.67 2fq6B1 GLN 282 H 0.18 0.08 -0.29 -0.55 8.47 7.90 2fq6B1 GLN 282 HA -0.06 0.15 0.57 -0.75 4.36 4.27 2fq6B1 GLN 282 HB2 -0.52 0.00 0.03 -0.04 2.15 1.62 2fq6B1 GLN 282 HB3 -0.03 -0.07 0.13 -0.04 2.02 2.01 2fq6B1 GLN 282 HG2 -0.00 0.04 -0.01 -0.04 2.40 2.39 2fq6B1 GLN 282 HG3 -0.04 -0.04 -0.11 -0.04 2.39 2.16 2fq6B1 GLN 282 HE21 0.22 0.49 -0.03 -0.04 6.97 7.61 2fq6B1 GLN 282 HE22 0.12 -0.02 -0.12 -0.04 7.69 7.63 2fq6B1 VAL 283 H -0.12 0.53 -0.37 -0.55 8.24 7.74 2fq6B1 VAL 283 HA 0.07 -0.03 0.80 -0.75 4.13 4.22 2fq6B1 VAL 283 HB -0.14 0.35 0.11 -0.04 2.12 2.39 2fq6B1 VAL 283 HG13 0.05 -0.03 -0.33 -0.04 0.97 0.62 2fq6B1 VAL 283 HG23 -0.25 -0.07 -0.11 -0.04 0.95 0.47 2fq6B1 ALA 284 H 0.06 0.61 0.30 -0.55 8.40 8.82 2fq6B1 ALA 284 HA -0.01 0.14 0.53 -0.75 4.34 4.24 2fq6B1 ALA 284 HB3 0.02 -0.03 -0.07 -0.04 1.41 1.29 2fq6B1 ARG 285 H 0.06 0.30 0.18 -0.55 8.46 8.45 2fq6B1 ARG 285 HA 0.00 0.18 0.65 -0.75 4.34 4.42 2fq6B1 ARG 285 HB2 0.01 0.03 -0.38 -0.04 1.90 1.52 2fq6B1 ARG 285 HB3 -0.01 -0.13 -0.09 -0.04 1.80 1.52 2fq6B1 ARG 285 HG2 -0.01 0.02 0.07 -0.04 1.67 1.70 2fq6B1 ARG 285 HG3 -0.00 0.06 0.04 -0.04 1.67 1.72 2fq6B1 ARG 285 HD2 -0.03 -0.10 -0.21 -0.04 3.22 2.85 2fq6B1 ARG 285 HD3 -0.01 0.05 -0.04 -0.04 3.22 3.17 2fq6B1 VAL 286 H 0.01 0.31 0.13 -0.55 8.24 8.14 2fq6B1 VAL 286 HA 0.18 0.11 1.09 -0.75 4.13 4.75 2fq6B1 VAL 286 HB 0.01 0.03 0.09 -0.04 2.12 2.20 2fq6B1 VAL 286 HG13 0.19 -0.02 -0.14 -0.04 0.97 0.96 2fq6B1 VAL 286 HG23 0.04 0.04 -0.21 -0.04 0.95 0.78 2fq6B1 ASN 287 H 0.13 0.73 0.22 -0.55 8.53 9.07 2fq6B1 ASN 287 HA -0.03 0.09 0.76 -0.75 4.76 4.83 2fq6B1 ASN 287 HB2 -0.04 -0.08 0.18 -0.04 2.88 2.90 2fq6B1 ASN 287 HB3 -0.09 0.13 0.04 -0.04 2.79 2.83 2fq6B1 ASN 287 HD21 -0.24 -0.05 -0.18 -0.04 7.03 6.51 2fq6B1 ASN 287 HD22 -0.17 -0.00 -0.15 -0.04 7.74 7.37 2fq6B1 HIS 288 H -0.00 0.36 -0.12 -0.55 8.41 8.10 2fq6B1 HIS 288 HA -0.08 0.23 0.87 -0.75 4.63 4.89 2fq6B1 HIS 288 HB2 -0.44 0.03 -0.06 -0.04 3.26 2.75 2fq6B1 HIS 288 HB3 -0.31 -0.00 0.04 -0.04 3.20 2.88 2fq6B1 HIS 288 HD2 -1.52 0.03 -0.13 -0.04 6.97 5.31 2fq6B1 HIS 288 HE1 -0.23 0.02 -0.04 -0.04 7.75 7.46 2fq6B1 PRO 289 HA -0.31 0.08 0.23 -0.51 4.44 3.92 2fq6B1 PRO 289 HB2 -1.15 0.04 0.01 -0.04 2.28 1.13 2fq6B1 PRO 289 HB3 -0.69 -0.01 0.06 -0.04 2.02 1.34 2fq6B1 PRO 289 HG2 -1.59 -0.00 0.07 -0.04 2.03 0.47 2fq6B1 PRO 289 HG3 -0.76 0.14 0.06 -0.04 2.03 1.43 2fq6B1 PRO 289 HD2 -0.50 0.11 0.18 -0.04 3.68 3.42 2fq6B1 PRO 289 HD3 -0.43 0.19 0.17 -0.04 3.65 3.54 2fq6B1 ALA 290 H -0.09 0.06 -0.39 -0.55 8.40 7.43 2fq6B1 ALA 290 HA -1.69 0.13 0.39 -0.75 4.34 2.42 2fq6B1 ALA 290 HB3 -0.83 -0.00 0.01 -0.04 1.41 0.55 2fq6B1 LEU 291 H -0.27 0.52 -0.44 -0.55 8.37 7.63 2fq6B1 LEU 291 HA -0.33 0.17 0.67 -0.75 4.35 4.10 2fq6B1 LEU 291 HB2 -0.31 -0.14 -0.04 -0.04 1.64 1.10 2fq6B1 LEU 291 HB3 -0.20 0.02 0.06 -0.04 1.64 1.48 2fq6B1 LEU 291 HG -0.19 0.12 -0.03 -0.04 1.64 1.51 2fq6B1 LEU 291 HD13 -0.22 -0.01 -0.08 -0.04 0.93 0.58 2fq6B1 LEU 291 HD23 -0.14 -0.01 -0.12 -0.04 0.89 0.59 2fq6B1 PRO 292 HA -0.60 -0.04 0.50 -0.51 4.44 3.78 2fq6B1 PRO 292 HB2 -0.15 0.05 0.05 -0.04 2.28 2.19 2fq6B1 PRO 292 HB3 -0.14 -0.01 0.12 -0.04 2.02 1.95 2fq6B1 PRO 292 HG2 -0.12 0.04 0.09 -0.04 2.03 2.01 2fq6B1 PRO 292 HG3 -0.17 0.04 0.09 -0.04 2.03 1.95 2fq6B1 PRO 292 HD2 -0.22 0.09 0.22 -0.04 3.68 3.72 2fq6B1 PRO 292 HD3 -0.31 0.28 0.28 -0.04 3.65 3.85 2fq6B1 GLY 293 H -0.10 0.07 0.20 -0.55 8.43 8.05 2fq6B1 GLY 293 HA2 -0.05 -0.05 0.37 -0.51 4.01 3.77 2fq6B1 GLY 293 HA3 -0.07 0.16 0.53 -0.51 4.01 4.12 2fq6B1 SER 294 H -0.13 0.35 -0.31 -0.55 8.46 7.83 2fq6B1 SER 294 HA -0.06 0.11 0.78 -0.75 4.49 4.57 2fq6B1 SER 294 HB2 -0.10 0.10 0.13 -0.04 3.95 4.04 2fq6B1 SER 294 HB3 -0.10 0.11 0.07 -0.04 3.93 3.97 2fq6B1 LYS 295 H -0.04 0.19 0.10 -0.55 8.42 8.11 2fq6B1 LYS 295 HA -0.02 0.01 0.36 -0.75 4.32 3.92 2fq6B1 LYS 295 HB2 -0.03 0.05 0.13 -0.04 1.87 1.97 2fq6B1 LYS 295 HB3 0.02 -0.04 -0.02 -0.04 1.79 1.70 2fq6B1 LYS 295 HG2 0.02 0.00 0.03 -0.04 1.46 1.47 2fq6B1 LYS 295 HG3 0.00 0.09 0.05 -0.04 1.46 1.56 2fq6B1 LYS 295 HD2 0.02 0.03 -0.00 -0.04 1.69 1.69 2fq6B1 LYS 295 HD3 0.04 -0.08 -0.02 -0.04 1.68 1.57 2fq6B1 LYS 295 HE2 0.04 -0.01 -0.01 -0.04 2.99 2.98 2fq6B1 LYS 295 HE3 0.03 0.07 -0.00 -0.04 2.99 3.05 2fq6B1 GLY 296 H -0.07 0.14 0.24 -0.55 8.43 8.19 2fq6B1 GLY 296 HA2 -0.36 -0.02 0.37 -0.51 4.01 3.50 2fq6B1 GLY 296 HA3 0.13 0.22 0.64 -0.51 4.01 4.49 2fq6B1 HIS 297 H -0.02 0.54 -0.11 -0.55 8.41 8.27 2fq6B1 HIS 297 HA -0.02 0.20 0.37 -0.75 4.63 4.42 2fq6B1 HIS 297 HB2 -0.11 0.18 0.06 -0.04 3.26 3.35 2fq6B1 HIS 297 HB3 -0.08 -0.13 0.15 -0.04 3.20 3.09 2fq6B1 HIS 297 HD2 -0.01 -0.10 -0.14 -0.04 6.97 6.67 2fq6B1 HIS 297 HE1 0.17 0.14 -0.17 -0.04 7.75 7.84 2fq6B1 GLU 298 H -0.23 0.06 -0.18 -0.55 8.60 7.70 2fq6B1 GLU 298 HA -0.20 0.13 0.40 -0.75 4.29 3.86 2fq6B1 GLU 298 HB2 -0.34 -0.06 0.07 -0.04 2.09 1.72 2fq6B1 GLU 298 HB3 -0.15 0.05 -0.03 -0.04 1.99 1.81 2fq6B1 GLU 298 HG2 0.02 -0.02 0.02 -0.04 2.34 2.31 2fq6B1 GLU 298 HG3 -0.03 0.02 0.02 -0.04 2.34 2.31 2fq6B1 PHE 299 H -0.48 0.17 -0.31 -0.55 8.34 7.17 2fq6B1 PHE 299 HA 0.08 0.06 0.55 -0.75 4.62 4.55 2fq6B1 PHE 299 HB2 0.07 0.14 -0.00 -0.04 3.15 3.32 2fq6B1 PHE 299 HB3 0.10 -0.04 0.13 -0.04 3.06 3.21 2fq6B1 PHE 299 HD2 0.06 0.17 -0.14 -0.04 7.28 7.34 2fq6B1 PHE 299 HE2 0.06 0.03 0.01 -0.04 7.38 7.44 2fq6B1 PHE 299 HZ 0.06 0.05 0.02 -0.04 7.32 7.40 2fq6B1 TRP 300 H 0.16 0.45 -0.07 -0.55 7.97 7.97 2fq6B1 TRP 300 HA -0.11 -0.04 0.38 -0.75 4.62 4.10 2fq6B1 TRP 300 HB2 -0.46 -0.10 0.06 -0.04 3.23 2.69 2fq6B1 TRP 300 HB3 -0.27 0.28 0.18 -0.04 3.23 3.37 2fq6B1 TRP 300 HD1 -1.60 -0.08 -0.02 -0.04 7.22 5.48 2fq6B1 TRP 300 HE1 0.21 0.24 0.05 -0.04 10.20 10.66 2fq6B1 TRP 300 HE3 -0.23 0.10 -0.14 -0.04 7.59 7.28 2fq6B1 TRP 300 HZ2 0.08 -0.12 -0.46 -0.04 7.44 6.90 2fq6B1 TRP 300 HZ3 0.10 0.03 -0.06 -0.04 7.13 7.16 2fq6B1 TRP 300 HH2 0.15 -0.01 -0.10 -0.04 7.19 7.19 2fq6B1 LYS 301 H 0.00 0.47 -0.16 -0.55 8.42 8.18 2fq6B1 LYS 301 HA -0.55 0.05 0.29 -0.75 4.32 3.35 2fq6B1 LYS 301 HB2 -0.09 0.02 0.06 -0.04 1.87 1.82 2fq6B1 LYS 301 HB3 -0.08 0.02 0.11 -0.04 1.79 1.80 2fq6B1 LYS 301 HG2 -0.01 -0.01 -0.12 -0.04 1.46 1.28 2fq6B1 LYS 301 HG3 -0.04 0.03 0.05 -0.04 1.46 1.46 2fq6B1 LYS 301 HD2 0.21 0.01 -0.01 -0.04 1.69 1.86 2fq6B1 LYS 301 HD3 0.10 -0.04 -0.02 -0.04 1.68 1.67 2fq6B1 LYS 301 HE2 0.05 0.00 -0.03 -0.04 2.99 2.97 2fq6B1 LYS 301 HE3 0.08 -0.00 -0.01 -0.04 2.99 3.02 2fq6B1 ARG 302 H 0.02 0.26 -0.27 -0.55 8.46 7.92 2fq6B1 ARG 302 HA 0.03 0.04 0.48 -0.75 4.34 4.14 2fq6B1 ARG 302 HB2 0.09 0.03 0.16 -0.04 1.90 2.15 2fq6B1 ARG 302 HB3 0.18 0.01 0.19 -0.04 1.80 2.14 2fq6B1 ARG 302 HG2 0.13 0.02 -0.06 -0.04 1.67 1.72 2fq6B1 ARG 302 HG3 0.09 -0.03 0.05 -0.04 1.67 1.74 2fq6B1 ARG 302 HD2 0.12 -0.03 -0.01 -0.04 3.22 3.27 2fq6B1 ARG 302 HD3 0.15 -0.03 0.00 -0.04 3.22 3.30 2fq6B1 ASP 303 H 0.14 0.47 -0.07 -0.55 8.40 8.40 2fq6B1 ASP 303 HA 0.29 0.14 0.51 -0.75 4.63 4.82 2fq6B1 ASP 303 HB2 0.30 0.06 0.00 -0.04 2.71 3.03 2fq6B1 ASP 303 HB3 0.08 -0.11 0.03 -0.04 2.70 2.66 2fq6B1 PHE 304 H 0.03 0.54 0.08 -0.55 8.34 8.43 2fq6B1 PHE 304 HA 0.09 0.21 1.06 -0.75 4.62 5.22 2fq6B1 PHE 304 HB2 -1.11 0.22 0.18 -0.04 3.15 2.39 2fq6B1 PHE 304 HB3 -0.11 -0.05 0.18 -0.04 3.06 3.04 2fq6B1 PHE 304 HD2 0.24 0.05 -0.05 -0.04 7.28 7.47 2fq6B1 PHE 304 HE2 0.10 -0.08 -0.12 -0.04 7.38 7.25 2fq6B1 PHE 304 HZ -0.30 -0.03 -0.27 -0.04 7.32 6.67 2fq6B1 THR 305 H 0.13 0.55 0.32 -0.55 8.28 8.73 2fq6B1 THR 305 HA -0.01 0.26 0.96 -0.75 4.39 4.84 2fq6B1 THR 305 HB 0.05 -0.07 0.23 -0.04 4.32 4.49 2fq6B1 THR 305 HG23 0.02 0.01 -0.03 -0.04 1.22 1.17 2fq6B1 GLY 306 H 0.20 0.27 -0.05 -0.55 8.43 8.30 2fq6B1 GLY 306 HA2 0.46 0.06 0.39 -0.51 4.01 4.41 2fq6B1 GLY 306 HA3 0.30 0.07 0.35 -0.51 4.01 4.23 2fq6B1 SER 307 H 0.26 0.22 0.18 -0.55 8.46 8.58 2fq6B1 SER 307 HA 0.30 0.10 0.76 -0.75 4.49 4.90 2fq6B1 SER 307 HB2 0.03 -0.02 -0.01 -0.04 3.95 3.92 2fq6B1 SER 307 HB3 -0.86 -0.01 0.10 -0.04 3.93 3.12 2fq6B1 SER 308 H -1.56 0.07 0.07 -0.55 8.46 6.49 2fq6B1 SER 308 HA -0.39 0.24 0.86 -0.75 4.49 4.44 2fq6B1 SER 308 HB2 -1.00 -0.12 0.27 -0.04 3.95 3.06 2fq6B1 SER 308 HB3 -0.89 0.12 0.15 -0.04 3.93 3.27 2fq6B1 GLY 309 H -0.08 0.07 0.17 -0.55 8.43 8.04 2fq6B1 GLY 309 HA2 0.09 0.29 0.54 -0.51 4.01 4.42 2fq6B1 GLY 309 HA3 -0.00 0.17 0.37 -0.51 4.01 4.04 2fq6B1 LEU 310 H 0.01 0.01 0.01 -0.55 8.37 7.86 2fq6B1 LEU 310 HA 0.08 0.32 1.07 -0.75 4.35 5.07 2fq6B1 LEU 310 HB2 -0.13 -0.13 0.11 -0.04 1.64 1.45 2fq6B1 LEU 310 HB3 0.09 -0.03 0.12 -0.04 1.64 1.78 2fq6B1 LEU 310 HG -0.28 0.13 -0.10 -0.04 1.64 1.36 2fq6B1 LEU 310 HD13 -0.25 0.05 -0.04 -0.04 0.93 0.65 2fq6B1 LEU 310 HD23 -1.68 -0.04 -0.06 -0.04 0.89 -0.93 2fq6B1 PHE 311 H -0.09 0.65 0.43 -0.55 8.34 8.78 2fq6B1 PHE 311 HA -0.15 0.06 0.38 -0.75 4.62 4.15 2fq6B1 PHE 311 HB2 -0.17 0.23 0.37 -0.04 3.15 3.53 2fq6B1 PHE 311 HB3 -0.41 0.04 -0.06 -0.04 3.06 2.60 2fq6B1 PHE 311 HD2 0.06 0.10 -0.22 -0.04 7.28 7.17 2fq6B1 PHE 311 HE2 0.14 -0.02 -0.11 -0.04 7.38 7.35 2fq6B1 PHE 311 HZ 0.14 -0.05 -0.20 -0.04 7.32 7.17 2fq6B1 SER 312 H 0.12 0.57 0.32 -0.55 8.46 8.93 2fq6B1 SER 312 HA -0.28 0.17 0.96 -0.75 4.49 4.59 2fq6B1 SER 312 HB2 -0.25 0.00 0.01 -0.04 3.95 3.67 2fq6B1 SER 312 HB3 -0.20 -0.05 -0.02 -0.04 3.93 3.62 2fq6B1 PHE 313 H -0.37 0.65 0.44 -0.55 8.34 8.51 2fq6B1 PHE 313 HA -0.03 0.06 0.80 -0.75 4.62 4.69 2fq6B1 PHE 313 HB2 0.03 0.17 0.18 -0.04 3.15 3.50 2fq6B1 PHE 313 HB3 0.13 -0.01 -0.07 -0.04 3.06 3.06 2fq6B1 PHE 313 HD2 -0.07 0.03 -0.22 -0.04 7.28 6.97 2fq6B1 PHE 313 HE2 -0.00 -0.01 -0.12 -0.04 7.38 7.21 2fq6B1 PHE 313 HZ -0.01 -0.00 -0.08 -0.04 7.32 7.19 2fq6B1 VAL 314 H 0.08 0.71 0.33 -0.55 8.24 8.81 2fq6B1 VAL 314 HA -0.24 0.22 1.02 -0.75 4.13 4.37 2fq6B1 VAL 314 HB -0.03 -0.05 0.14 -0.04 2.12 2.14 2fq6B1 VAL 314 HG13 0.02 0.08 -0.13 -0.04 0.97 0.90 2fq6B1 VAL 314 HG23 -0.37 -0.01 -0.14 -0.04 0.95 0.39 2fq6B1 LEU 315 H -0.12 0.59 0.27 -0.55 8.37 8.57 2fq6B1 LEU 315 HA 0.14 0.13 0.78 -0.75 4.35 4.65 2fq6B1 LEU 315 HB2 -0.06 0.02 0.28 -0.04 1.64 1.83 2fq6B1 LEU 315 HB3 0.00 -0.09 0.19 -0.04 1.64 1.70 2fq6B1 LEU 315 HG -0.10 -0.02 0.03 -0.04 1.64 1.50 2fq6B1 LEU 315 HD13 -0.28 -0.02 -0.00 -0.04 0.93 0.58 2fq6B1 LEU 315 HD23 0.30 0.02 -0.00 -0.04 0.89 1.16 2fq6B1 LYS 316 H 0.03 0.80 0.37 -0.55 8.42 9.06 2fq6B1 LYS 316 HA 0.01 0.04 0.58 -0.75 4.32 4.19 2fq6B1 LYS 316 HB2 -0.01 0.09 0.09 -0.04 1.87 2.00 2fq6B1 LYS 316 HB3 -0.01 -0.04 0.01 -0.04 1.79 1.71 2fq6B1 LYS 316 HG2 -0.01 -0.06 -0.01 -0.04 1.46 1.33 2fq6B1 LYS 316 HG3 -0.01 -0.03 -0.42 -0.04 1.46 0.96 2fq6B1 LYS 316 HD2 -0.04 0.17 0.02 -0.04 1.69 1.81 2fq6B1 LYS 316 HD3 -0.03 -0.11 -0.01 -0.04 1.68 1.49 2fq6B1 LYS 316 HE2 -0.03 -0.09 -0.04 -0.04 2.99 2.78 2fq6B1 LYS 316 HE3 -0.05 0.24 -0.22 -0.04 2.99 2.92 2fq6B1 LYS 317 H -0.00 0.08 -0.05 -0.55 8.42 7.89 2fq6B1 LYS 317 HA -0.01 0.15 0.61 -0.75 4.32 4.32 2fq6B1 LYS 317 HB2 -0.01 0.06 0.09 -0.04 1.87 1.98 2fq6B1 LYS 317 HB3 -0.02 -0.11 -0.18 -0.04 1.79 1.44 2fq6B1 LYS 317 HG2 -0.01 -0.04 -0.13 -0.04 1.46 1.24 2fq6B1 LYS 317 HG3 -0.01 0.01 0.04 -0.04 1.46 1.46 2fq6B1 LYS 317 HD2 -0.00 -0.00 0.00 -0.04 1.69 1.65 2fq6B1 LYS 317 HD3 -0.00 0.02 0.02 -0.04 1.68 1.68 2fq6B1 LYS 317 HE2 0.00 0.12 0.08 -0.04 2.99 3.15 2fq6B1 LYS 317 HE3 -0.00 -0.15 0.00 -0.04 2.99 2.79 2fq6B1 LYS 318 H -0.01 0.22 0.14 -0.55 8.42 8.21 2fq6B1 LYS 318 HA -0.02 -0.04 0.98 -0.75 4.32 4.48 2fq6B1 LYS 318 HB2 -0.02 0.30 0.24 -0.04 1.87 2.36 2fq6B1 LYS 318 HB3 -0.02 -0.03 0.22 -0.04 1.79 1.92 2fq6B1 LYS 318 HG2 -0.03 0.01 -0.18 -0.04 1.46 1.22 2fq6B1 LYS 318 HG3 -0.03 -0.07 0.00 -0.04 1.46 1.32 2fq6B1 LYS 318 HD2 -0.05 0.04 0.04 -0.04 1.69 1.67 2fq6B1 LYS 318 HD3 -0.04 0.03 0.06 -0.04 1.68 1.69 2fq6B1 LYS 318 HE2 -0.05 0.03 -0.03 -0.04 2.99 2.90 2fq6B1 LYS 318 HE3 -0.09 -0.14 0.02 -0.04 2.99 2.74 2fq6B1 LEU 319 H -0.04 0.11 -0.01 -0.55 8.37 7.88 2fq6B1 LEU 319 HA -0.02 0.03 0.35 -0.75 4.35 3.95 2fq6B1 LEU 319 HB2 -0.04 -0.04 0.04 -0.04 1.64 1.57 2fq6B1 LEU 319 HB3 -0.02 0.00 -0.04 -0.04 1.64 1.54 2fq6B1 LEU 319 HG -0.10 -0.02 0.01 -0.04 1.64 1.49 2fq6B1 LEU 319 HD13 -0.19 0.02 -0.12 -0.04 0.93 0.60 2fq6B1 LEU 319 HD23 -0.06 0.01 -0.06 -0.04 0.89 0.74 2fq6B1 ASN 320 H -0.01 0.10 0.21 -0.55 8.53 8.29 2fq6B1 ASN 320 HA -0.00 0.23 0.79 -0.75 4.76 5.02 2fq6B1 ASN 320 HB2 0.00 -0.06 0.22 -0.04 2.88 3.00 2fq6B1 ASN 320 HB3 -0.00 0.15 0.17 -0.04 2.79 3.07 2fq6B1 ASN 320 HD21 0.00 0.06 0.04 -0.04 7.03 7.09 2fq6B1 ASN 320 HD22 -0.00 0.10 0.07 -0.04 7.74 7.87 2fq6B1 ASN 321 H 0.01 0.21 0.16 -0.55 8.53 8.36 2fq6B1 ASN 321 HA 0.03 0.12 0.23 -0.75 4.76 4.38 2fq6B1 ASN 321 HB2 0.02 -0.00 0.16 -0.04 2.88 3.01 2fq6B1 ASN 321 HB3 0.02 0.06 0.02 -0.04 2.79 2.85 2fq6B1 ASN 321 HD21 0.02 0.05 0.04 -0.04 7.03 7.09 2fq6B1 ASN 321 HD22 0.01 0.00 0.08 -0.04 7.74 7.79 2fq6B1 GLU 322 H 0.02 0.09 -0.11 -0.55 8.60 8.05 2fq6B1 GLU 322 HA 0.02 0.13 0.43 -0.75 4.29 4.12 2fq6B1 GLU 322 HB2 0.01 -0.01 0.09 -0.04 2.09 2.15 2fq6B1 GLU 322 HB3 0.01 0.03 -0.01 -0.04 1.99 1.98 2fq6B1 GLU 322 HG2 0.02 0.00 0.07 -0.04 2.34 2.39 2fq6B1 GLU 322 HG3 0.01 0.02 0.03 -0.04 2.34 2.36 2fq6B1 GLU 323 H 0.02 0.08 -0.26 -0.55 8.60 7.89 2fq6B1 GLU 323 HA 0.04 0.19 0.50 -0.75 4.29 4.27 2fq6B1 GLU 323 HB2 0.01 -0.02 0.10 -0.04 2.09 2.13 2fq6B1 GLU 323 HB3 0.01 0.09 0.04 -0.04 1.99 2.09 2fq6B1 GLU 323 HG2 0.02 0.14 0.05 -0.04 2.34 2.51 2fq6B1 GLU 323 HG3 0.01 -0.11 0.03 -0.04 2.34 2.23 2fq6B1 LEU 324 H 0.03 0.32 -0.35 -0.55 8.37 7.83 2fq6B1 LEU 324 HA 0.09 0.03 0.33 -0.75 4.35 4.05 2fq6B1 LEU 324 HB2 0.03 0.15 -0.03 -0.04 1.64 1.75 2fq6B1 LEU 324 HB3 0.05 0.12 0.06 -0.04 1.64 1.83 2fq6B1 LEU 324 HG 0.07 -0.01 -0.10 -0.04 1.64 1.56 2fq6B1 LEU 324 HD13 0.04 -0.02 -0.04 -0.04 0.93 0.87 2fq6B1 LEU 324 HD23 0.05 0.00 -0.11 -0.04 0.89 0.79 2fq6B1 ALA 325 H 0.05 0.46 -0.10 -0.55 8.40 8.26 2fq6B1 ALA 325 HA 0.06 0.03 0.47 -0.75 4.34 4.14 2fq6B1 ALA 325 HB3 0.03 0.02 0.08 -0.04 1.41 1.50 2fq6B1 ASN 326 H 0.05 0.42 -0.26 -0.55 8.53 8.19 2fq6B1 ASN 326 HA 0.02 0.02 0.34 -0.75 4.76 4.39 2fq6B1 ASN 326 HB2 0.03 0.07 0.18 -0.04 2.88 3.12 2fq6B1 ASN 326 HB3 0.06 0.09 0.11 -0.04 2.79 3.01 2fq6B1 ASN 326 HD21 0.00 -0.01 0.03 -0.04 7.03 7.01 2fq6B1 ASN 326 HD22 0.01 -0.05 0.05 -0.04 7.74 7.71 2fq6B1 TYR 327 H 0.18 0.41 -0.32 -0.55 8.29 8.01 2fq6B1 TYR 327 HA -0.09 0.08 0.34 -0.75 4.56 4.13 2fq6B1 TYR 327 HB2 0.02 0.06 0.06 -0.04 3.06 3.16 2fq6B1 TYR 327 HB3 0.04 0.01 0.16 -0.04 2.98 3.16 2fq6B1 TYR 327 HD2 0.01 0.11 -0.08 -0.04 7.15 7.15 2fq6B1 TYR 327 HE2 -0.11 -0.04 -0.19 -0.04 6.85 6.47 2fq6B1 LEU 328 H 0.19 0.59 -0.02 -0.55 8.37 8.58 2fq6B1 LEU 328 HA 0.20 0.02 0.22 -0.75 4.35 4.03 2fq6B1 LEU 328 HB2 0.09 0.07 0.07 -0.04 1.64 1.83 2fq6B1 LEU 328 HB3 0.05 -0.05 -0.02 -0.04 1.64 1.59 2fq6B1 LEU 328 HG 0.28 0.07 0.04 -0.04 1.64 2.00 2fq6B1 LEU 328 HD13 0.06 -0.03 -0.05 -0.04 0.93 0.87 2fq6B1 LEU 328 HD23 0.03 -0.01 -0.18 -0.04 0.89 0.70 2fq6B1 ASP 329 H 0.05 0.65 -0.19 -0.55 8.40 8.36 2fq6B1 ASP 329 HA 0.04 0.01 0.41 -0.75 4.63 4.34 2fq6B1 ASP 329 HB2 0.02 0.21 0.07 -0.04 2.71 2.97 2fq6B1 ASP 329 HB3 0.02 -0.07 0.07 -0.04 2.70 2.67 2fq6B1 ASN 330 H -0.06 0.28 -0.50 -0.55 8.53 7.70 2fq6B1 ASN 330 HA -0.03 0.21 0.69 -0.75 4.76 4.88 2fq6B1 ASN 330 HB2 -0.14 0.21 0.08 -0.04 2.88 2.98 2fq6B1 ASN 330 HB3 -0.09 -0.08 0.12 -0.04 2.79 2.69 2fq6B1 ASN 330 HD21 -0.01 -0.13 -0.04 -0.04 7.03 6.81 2fq6B1 ASN 330 HD22 -0.03 0.61 0.15 -0.04 7.74 8.43 2fq6B1 PHE 331 H 0.13 0.20 -0.21 -0.55 8.34 7.91 2fq6B1 PHE 331 HA -0.03 0.02 0.61 -0.75 4.62 4.46 2fq6B1 PHE 331 HB2 -0.04 0.17 0.06 -0.04 3.15 3.29 2fq6B1 PHE 331 HB3 0.06 -0.18 0.03 -0.04 3.06 2.94 2fq6B1 PHE 331 HD2 -0.10 -0.04 0.00 -0.04 7.28 7.10 2fq6B1 PHE 331 HE2 -0.78 -0.08 -0.28 -0.04 7.38 6.20 2fq6B1 PHE 331 HZ -0.97 -0.04 -0.07 -0.04 7.32 6.21 2fq6B1 SER 332 H 0.18 -0.01 0.21 -0.55 8.46 8.29 2fq6B1 SER 332 HA 0.06 0.28 0.88 -0.75 4.49 4.96 2fq6B1 SER 332 HB2 0.05 -0.08 0.09 -0.04 3.95 3.97 2fq6B1 SER 332 HB3 0.03 -0.01 0.05 -0.04 3.93 3.96 2fq6B1 LEU 333 H 0.17 -0.13 0.12 -0.55 8.37 7.99 2fq6B1 LEU 333 HA -0.01 0.26 0.92 -0.75 4.35 4.77 2fq6B1 LEU 333 HB2 -0.10 -0.04 0.01 -0.04 1.64 1.47 2fq6B1 LEU 333 HB3 -0.16 -0.05 -0.01 -0.04 1.64 1.38 2fq6B1 LEU 333 HG 0.02 -0.06 -0.23 -0.04 1.64 1.33 2fq6B1 LEU 333 HD13 -0.03 0.01 -0.15 -0.04 0.93 0.73 2fq6B1 LEU 333 HD23 -0.02 0.04 -0.04 -0.04 0.89 0.83 2fq6B1 PHE 334 H 0.27 -0.10 0.05 -0.55 8.34 8.00 2fq6B1 PHE 334 HA -0.09 0.19 0.54 -0.75 4.62 4.50 2fq6B1 PHE 334 HB2 -0.59 -0.04 -0.00 -0.04 3.15 2.48 2fq6B1 PHE 334 HB3 -0.40 0.07 -0.20 -0.04 3.06 2.49 2fq6B1 PHE 334 HD2 -0.09 -0.01 -0.17 -0.04 7.28 6.96 2fq6B1 PHE 334 HE2 -0.04 0.09 -0.02 -0.04 7.38 7.38 2fq6B1 PHE 334 HZ -0.01 -0.00 -0.08 -0.04 7.32 7.19 2fq6B1 SER 335 H 0.02 0.38 0.27 -0.55 8.46 8.58 2fq6B1 SER 335 HA 0.01 0.21 0.80 -0.75 4.49 4.76 2fq6B1 SER 335 HB2 -0.02 -0.03 -0.02 -0.04 3.95 3.84 2fq6B1 SER 335 HB3 -0.01 0.04 0.01 -0.04 3.93 3.93 2fq6B1 MET 336 H -0.03 0.17 0.15 -0.55 8.47 8.22 2fq6B1 MET 336 HA -0.10 0.33 1.07 -0.75 4.52 5.07 2fq6B1 MET 336 HB2 -0.05 -0.02 0.17 -0.04 2.15 2.20 2fq6B1 MET 336 HB3 -0.12 -0.06 0.05 -0.04 2.03 1.86 2fq6B1 MET 336 HG2 -0.09 0.13 0.07 -0.04 2.63 2.70 2fq6B1 MET 336 HG3 -0.05 0.02 -0.03 -0.04 2.56 2.47 2fq6B1 MET 336 HE3 0.01 0.01 -0.08 -0.04 2.10 2.00 2fq6B1 ALA 337 H -0.16 0.40 0.25 -0.55 8.40 8.34 2fq6B1 ALA 337 HA -0.15 -0.01 0.46 -0.75 4.34 3.89 2fq6B1 ALA 337 HB3 -0.04 0.05 -0.09 -0.04 1.41 1.29 2fq6B1 TYR 338 H 0.03 0.07 0.13 -0.55 8.29 7.98 2fq6B1 TYR 338 HA 0.08 0.15 0.71 -0.75 4.56 4.75 2fq6B1 TYR 338 HB2 0.03 0.02 0.08 -0.04 3.06 3.15 2fq6B1 TYR 338 HB3 0.08 -0.13 0.14 -0.04 2.98 3.03 2fq6B1 TYR 338 HD2 0.05 0.00 0.03 -0.04 7.15 7.20 2fq6B1 TYR 338 HE2 0.01 0.02 -0.02 -0.04 6.85 6.83 2fq6B1 SER 339 H 0.27 -0.01 0.10 -0.55 8.46 8.28 2fq6B1 SER 339 HA -0.16 -0.07 0.31 -0.75 4.49 3.81 2fq6B1 SER 339 HB2 -0.07 -0.08 -0.10 -0.04 3.95 3.67 2fq6B1 SER 339 HB3 -0.10 0.23 0.21 -0.04 3.93 4.22 2fq6B1 TRP 340 H -0.46 0.37 0.20 -0.55 7.97 7.53 2fq6B1 TRP 340 HA -0.47 0.15 0.39 -0.75 4.62 3.94 2fq6B1 TRP 340 HB2 -0.33 -0.06 0.06 -0.04 3.23 2.87 2fq6B1 TRP 340 HB3 -0.13 0.27 -0.10 -0.04 3.23 3.23 2fq6B1 TRP 340 HD1 -0.03 0.08 -0.35 -0.04 7.22 6.88 2fq6B1 TRP 340 HE1 -0.08 -0.05 -0.06 -0.04 10.20 9.98 2fq6B1 TRP 340 HE3 -0.32 0.03 -0.12 -0.04 7.59 7.15 2fq6B1 TRP 340 HZ2 0.02 -0.06 -0.06 -0.04 7.44 7.30 2fq6B1 TRP 340 HZ3 0.17 0.11 -0.01 -0.04 7.13 7.37 2fq6B1 TRP 340 HH2 0.20 -0.11 -0.33 -0.04 7.19 6.91 2fq6B1 GLY 341 H -1.29 0.23 0.07 -0.55 8.43 6.89 2fq6B1 GLY 341 HA2 -1.52 0.07 0.30 -0.51 4.01 2.34 2fq6B1 GLY 341 HA3 -1.10 -0.09 0.43 -0.51 4.01 2.74 2fq6B1 GLY 342 H -0.52 -0.04 -0.43 -0.55 8.43 6.89 2fq6B1 GLY 342 HA2 -0.18 0.23 0.31 -0.51 4.01 3.86 2fq6B1 GLY 342 HA3 -0.30 -0.05 0.12 -0.51 4.01 3.27 2fq6B1 TYR 343 H -0.42 0.14 0.09 -0.55 8.29 7.56 2fq6B1 TYR 343 HA 0.13 0.16 0.59 -0.75 4.56 4.69 2fq6B1 TYR 343 HB2 -0.02 -0.05 0.12 -0.04 3.06 3.07 2fq6B1 TYR 343 HB3 -0.13 0.15 0.13 -0.04 2.98 3.09 2fq6B1 TYR 343 HD2 -0.09 0.02 -0.08 -0.04 7.15 6.96 2fq6B1 TYR 343 HE2 0.07 0.05 0.01 -0.04 6.85 6.93 2fq6B1 GLU 344 H -0.27 0.04 -0.25 -0.55 8.60 7.57 2fq6B1 GLU 344 HA 0.06 0.09 0.88 -0.75 4.29 4.57 2fq6B1 GLU 344 HB2 -0.01 0.07 0.07 -0.04 2.09 2.18 2fq6B1 GLU 344 HB3 -0.26 -0.04 -0.06 -0.04 1.99 1.60 2fq6B1 GLU 344 HG2 -0.07 0.19 -0.38 -0.04 2.34 2.04 2fq6B1 GLU 344 HG3 -0.10 0.05 -0.09 -0.04 2.34 2.16 2fq6B1 SER 345 H -0.09 0.14 0.16 -0.55 8.46 8.12 2fq6B1 SER 345 HA 0.06 0.25 0.67 -0.75 4.49 4.72 2fq6B1 SER 345 HB2 -0.65 0.04 0.07 -0.04 3.95 3.37 2fq6B1 SER 345 HB3 -0.76 0.13 0.12 -0.04 3.93 3.38 2fq6B1 LEU 346 H 0.20 0.40 0.43 -0.55 8.37 8.85 2fq6B1 LEU 346 HA 0.07 0.21 1.02 -0.75 4.35 4.90 2fq6B1 LEU 346 HB2 0.11 -0.12 0.05 -0.04 1.64 1.64 2fq6B1 LEU 346 HB3 0.01 0.11 0.13 -0.04 1.64 1.85 2fq6B1 LEU 346 HG 0.04 -0.05 -0.41 -0.04 1.64 1.18 2fq6B1 LEU 346 HD13 -0.01 -0.01 -0.22 -0.04 0.93 0.64 2fq6B1 LEU 346 HD23 -0.03 0.03 -0.19 -0.04 0.89 0.66 2fq6B1 ILE 347 H -0.04 0.62 0.36 -0.55 8.25 8.64 2fq6B1 ILE 347 HA -0.15 0.31 1.00 -0.75 4.18 4.59 2fq6B1 ILE 347 HB -0.49 -0.04 -0.21 -0.04 1.89 1.11 2fq6B1 ILE 347 HG12 -0.27 -0.05 -0.23 -0.04 1.49 0.91 2fq6B1 ILE 347 HG13 -0.28 0.06 0.01 -0.04 1.21 0.96 2fq6B1 ILE 347 HG23 -0.37 0.00 -0.24 -0.04 0.93 0.28 2fq6B1 ILE 347 HD13 -0.88 -0.01 -0.12 -0.04 0.88 -0.16 2fq6B1 LEU 348 H -0.14 0.55 0.36 -0.55 8.37 8.59 2fq6B1 LEU 348 HA -0.11 0.10 0.73 -0.75 4.35 4.31 2fq6B1 LEU 348 HB2 -0.08 -0.01 0.10 -0.04 1.64 1.61 2fq6B1 LEU 348 HB3 -0.06 0.02 0.02 -0.04 1.64 1.58 2fq6B1 LEU 348 HG -0.12 0.10 -0.13 -0.04 1.64 1.45 2fq6B1 LEU 348 HD13 -0.11 -0.03 -0.04 -0.04 0.93 0.70 2fq6B1 LEU 348 HD23 -0.30 0.05 0.15 -0.04 0.89 0.75 2fq6B1 ALA 349 H -0.03 0.16 0.17 -0.55 8.40 8.14 2fq6B1 ALA 349 HA -0.08 0.33 1.17 -0.75 4.34 5.01 2fq6B1 ALA 349 HB3 0.02 -0.01 0.01 -0.04 1.41 1.40 2fq6B1 ASN 350 H -0.04 0.95 0.38 -0.55 8.53 9.27 2fq6B1 ASN 350 HA 0.23 0.11 0.75 -0.75 4.76 5.10 2fq6B1 ASN 350 HB2 0.02 0.03 0.04 -0.04 2.88 2.92 2fq6B1 ASN 350 HB3 0.14 0.00 -0.06 -0.04 2.79 2.83 2fq6B1 ASN 350 HD21 0.04 -0.03 -0.14 -0.04 7.03 6.86 2fq6B1 ASN 350 HD22 -0.02 0.01 -0.20 -0.04 7.74 7.49 2fq6B1 GLN 351 H 0.20 0.12 0.12 -0.55 8.47 8.37 2fq6B1 GLN 351 HA -0.04 0.22 0.78 -0.75 4.36 4.56 2fq6B1 GLN 351 HB2 -1.09 -0.10 0.11 -0.04 2.15 1.04 2fq6B1 GLN 351 HB3 -0.28 0.04 0.09 -0.04 2.02 1.83 2fq6B1 GLN 351 HG2 -0.03 -0.04 -0.04 -0.04 2.40 2.25 2fq6B1 GLN 351 HG3 -0.15 0.03 0.01 -0.04 2.39 2.23 2fq6B1 GLN 351 HE21 -0.03 0.46 0.04 -0.04 6.97 7.41 2fq6B1 GLN 351 HE22 -0.01 -0.10 -0.05 -0.04 7.69 7.49 2fq6B1 PRO 352 HA -0.19 0.06 0.34 -0.51 4.44 4.14 2fq6B1 PRO 352 HB2 -0.20 -0.01 0.02 -0.04 2.28 2.06 2fq6B1 PRO 352 HB3 -0.48 0.14 0.05 -0.04 2.02 1.69 2fq6B1 PRO 352 HG2 -0.08 0.19 -0.03 -0.04 2.03 2.07 2fq6B1 PRO 352 HG3 0.02 0.17 -0.24 -0.04 2.03 1.94 2fq6B1 PRO 352 HD2 -0.08 0.05 0.14 -0.04 3.68 3.75 2fq6B1 PRO 352 HD3 0.07 0.21 0.06 -0.04 3.65 3.94 2fq6B1 GLU 353 H -0.18 0.13 -0.22 -0.55 8.60 7.79 2fq6B1 GLU 353 HA -0.10 0.10 0.42 -0.75 4.29 3.95 2fq6B1 GLU 353 HB2 -0.07 0.06 0.01 -0.04 2.09 2.06 2fq6B1 GLU 353 HB3 -0.10 0.05 0.07 -0.04 1.99 1.96 2fq6B1 GLU 353 HG2 -0.37 -0.14 -0.02 -0.04 2.34 1.77 2fq6B1 GLU 353 HG3 -0.12 0.06 -0.03 -0.04 2.34 2.21 2fq6B1 HIS 354 H -0.28 0.10 -0.25 -0.55 8.41 7.43 2fq6B1 HIS 354 HA -0.02 0.08 0.40 -0.75 4.63 4.33 2fq6B1 HIS 354 HB2 0.02 0.07 0.10 -0.04 3.26 3.41 2fq6B1 HIS 354 HB3 0.00 0.02 0.01 -0.04 3.20 3.19 2fq6B1 HIS 354 HD2 -0.01 0.05 -0.04 -0.04 6.97 6.92 2fq6B1 HIS 354 HE1 0.01 0.06 0.02 -0.04 7.75 7.79 2fq6B1 ILE 355 H 0.09 0.38 -0.13 -0.55 8.25 8.04 2fq6B1 ILE 355 HA 0.05 0.04 0.38 -0.75 4.18 3.90 2fq6B1 ILE 355 HB 0.16 0.07 0.06 -0.04 1.89 2.14 2fq6B1 ILE 355 HG12 0.20 0.09 -0.14 -0.04 1.49 1.60 2fq6B1 ILE 355 HG13 0.28 0.00 -0.13 -0.04 1.21 1.32 2fq6B1 ILE 355 HG23 0.17 -0.00 -0.13 -0.04 0.93 0.93 2fq6B1 ILE 355 HD13 0.08 -0.01 -0.15 -0.04 0.88 0.76 2fq6B1 ALA 356 H -0.08 0.74 -0.03 -0.55 8.40 8.49 2fq6B1 ALA 356 HA -0.08 0.00 0.30 -0.75 4.34 3.80 2fq6B1 ALA 356 HB3 -0.11 0.01 0.09 -0.04 1.41 1.36 2fq6B1 ALA 357 H -0.03 0.31 -0.58 -0.55 8.40 7.55 2fq6B1 ALA 357 HA -0.07 0.04 0.33 -0.75 4.34 3.88 2fq6B1 ALA 357 HB3 -0.03 0.02 0.09 -0.04 1.41 1.46 2fq6B1 ILE 358 H -0.06 0.47 -0.38 -0.55 8.25 7.72 2fq6B1 ILE 358 HA -0.18 0.13 0.82 -0.75 4.18 4.20 2fq6B1 ILE 358 HB -0.12 -0.07 0.18 -0.04 1.89 1.85 2fq6B1 ILE 358 HG12 -0.02 0.13 0.06 -0.04 1.49 1.63 2fq6B1 ILE 358 HG13 -0.04 0.11 -0.06 -0.04 1.21 1.18 2fq6B1 ILE 358 HG23 -0.08 -0.01 -0.12 -0.04 0.93 0.68 2fq6B1 ILE 358 HD13 -0.02 -0.06 -0.03 -0.04 0.88 0.73 2fq6B1 ARG 359 H -0.13 0.34 -0.39 -0.55 8.46 7.73 2fq6B1 ARG 359 HA -0.16 0.32 0.78 -0.75 4.34 4.52 2fq6B1 ARG 359 HB2 -0.07 0.04 0.02 -0.04 1.90 1.84 2fq6B1 ARG 359 HB3 -0.06 -0.10 -0.11 -0.04 1.80 1.49 2fq6B1 ARG 359 HG2 -0.04 0.10 -0.40 -0.04 1.67 1.29 2fq6B1 ARG 359 HG3 -0.01 -0.17 -0.22 -0.04 1.67 1.23 2fq6B1 ARG 359 HD2 -0.02 -0.15 -0.16 -0.04 3.22 2.85 2fq6B1 ARG 359 HD3 -0.06 0.55 0.10 -0.04 3.22 3.77 2fq6B1 PRO 360 HA -0.23 0.04 0.39 -0.51 4.44 4.13 2fq6B1 PRO 360 HB2 -1.06 0.01 -0.07 -0.04 2.28 1.12 2fq6B1 PRO 360 HB3 -0.71 0.04 0.03 -0.04 2.02 1.34 2fq6B1 PRO 360 HG2 -1.15 -0.03 -0.02 -0.04 2.03 0.79 2fq6B1 PRO 360 HG3 -2.19 0.02 -0.05 -0.04 2.03 -0.23 2fq6B1 PRO 360 HD2 -0.43 0.30 -0.05 -0.04 3.68 3.46 2fq6B1 PRO 360 HD3 -0.52 0.08 -0.25 -0.04 3.65 2.92 2fq6B1 GLN 361 H -0.03 0.10 0.16 -0.55 8.47 8.15 2fq6B1 GLN 361 HA 0.06 -0.00 0.35 -0.75 4.36 4.01 2fq6B1 GLN 361 HB2 0.24 0.08 -0.06 -0.04 2.15 2.38 2fq6B1 GLN 361 HB3 0.18 0.00 0.23 -0.04 2.02 2.39 2fq6B1 GLN 361 HG2 0.17 0.01 0.09 -0.04 2.40 2.63 2fq6B1 GLN 361 HG3 0.27 -0.06 -0.01 -0.04 2.39 2.55 2fq6B1 GLN 361 HE21 0.26 0.02 0.10 -0.04 6.97 7.31 2fq6B1 GLN 361 HE22 0.22 -0.01 0.08 -0.04 7.69 7.93 2fq6B1 GLY 362 H -0.01 0.36 -0.05 -0.55 8.43 8.18 2fq6B1 GLY 362 HA2 0.04 -0.01 0.39 -0.51 4.01 3.92 2fq6B1 GLY 362 HA3 0.02 0.03 0.18 -0.51 4.01 3.72 2fq6B1 GLU 363 H 0.01 0.15 0.15 -0.55 8.60 8.37 2fq6B1 GLU 363 HA -0.04 0.17 0.89 -0.75 4.29 4.56 2fq6B1 GLU 363 HB2 -0.03 0.16 0.04 -0.04 2.09 2.22 2fq6B1 GLU 363 HB3 -0.01 -0.00 0.02 -0.04 1.99 1.95 2fq6B1 GLU 363 HG2 0.01 0.01 -0.01 -0.04 2.34 2.31 2fq6B1 GLU 363 HG3 0.02 -0.12 0.11 -0.04 2.34 2.30 2fq6B1 ILE 364 H -0.09 0.11 0.14 -0.55 8.25 7.85 2fq6B1 ILE 364 HA -0.01 0.16 0.74 -0.75 4.18 4.31 2fq6B1 ILE 364 HB -0.30 -0.13 0.14 -0.04 1.89 1.56 2fq6B1 ILE 364 HG12 -0.24 -0.00 0.08 -0.04 1.49 1.29 2fq6B1 ILE 364 HG13 -0.33 0.04 -0.10 -0.04 1.21 0.77 2fq6B1 ILE 364 HG23 -0.09 0.02 -0.14 -0.04 0.93 0.67 2fq6B1 ILE 364 HD13 -0.86 0.01 0.04 -0.04 0.88 0.02 2fq6B1 ASP 365 H 0.11 0.09 0.10 -0.55 8.40 8.15 2fq6B1 ASP 365 HA -0.00 0.26 0.90 -0.75 4.63 5.03 2fq6B1 ASP 365 HB2 0.06 0.03 0.16 -0.04 2.71 2.91 2fq6B1 ASP 365 HB3 0.05 0.03 -0.09 -0.04 2.70 2.65 2fq6B1 PHE 366 H -0.34 0.18 0.05 -0.55 8.34 7.69 2fq6B1 PHE 366 HA -0.02 0.23 0.79 -0.75 4.62 4.86 2fq6B1 PHE 366 HB2 -0.03 -0.06 0.09 -0.04 3.15 3.10 2fq6B1 PHE 366 HB3 -0.03 0.07 -0.13 -0.04 3.06 2.93 2fq6B1 PHE 366 HD2 -0.05 0.03 -0.14 -0.04 7.28 7.09 2fq6B1 PHE 366 HE2 -0.06 0.01 -0.09 -0.04 7.38 7.20 2fq6B1 PHE 366 HZ -0.05 -0.03 -0.12 -0.04 7.32 7.08 2fq6B1 SER 367 H 0.13 0.08 0.17 -0.55 8.46 8.30 2fq6B1 SER 367 HA -0.15 0.14 0.84 -0.75 4.49 4.57 2fq6B1 SER 367 HB2 -0.04 -0.01 0.09 -0.04 3.95 3.95 2fq6B1 SER 367 HB3 -0.06 0.03 -0.11 -0.04 3.93 3.75 2fq6B1 GLY 368 H 0.19 -0.08 0.11 -0.55 8.43 8.11 2fq6B1 GLY 368 HA2 0.03 0.08 0.50 -0.51 4.01 4.11 2fq6B1 GLY 368 HA3 0.05 0.43 0.21 -0.51 4.01 4.19 2fq6B1 THR 369 H -0.02 0.50 0.42 -0.55 8.28 8.63 2fq6B1 THR 369 HA 0.01 0.04 0.65 -0.75 4.39 4.34 2fq6B1 THR 369 HB -0.10 0.03 0.21 -0.04 4.32 4.41 2fq6B1 THR 369 HG23 -0.08 0.00 -0.14 -0.04 1.22 0.96 2fq6B1 LEU 370 H -0.05 0.70 0.42 -0.55 8.37 8.90 2fq6B1 LEU 370 HA -0.37 0.22 1.07 -0.75 4.35 4.52 2fq6B1 LEU 370 HB2 -0.68 -0.01 -0.01 -0.04 1.64 0.90 2fq6B1 LEU 370 HB3 -0.19 -0.05 0.12 -0.04 1.64 1.48 2fq6B1 LEU 370 HG -0.43 0.13 -0.10 -0.04 1.64 1.21 2fq6B1 LEU 370 HD13 -0.56 -0.00 -0.17 -0.04 0.93 0.16 2fq6B1 LEU 370 HD23 -0.22 -0.01 -0.43 -0.04 0.89 0.18 2fq6B1 ILE 371 H -0.67 0.72 0.41 -0.55 8.25 8.16 2fq6B1 ILE 371 HA -0.29 0.25 1.15 -0.75 4.18 4.55 2fq6B1 ILE 371 HB -1.64 -0.03 0.15 -0.04 1.89 0.33 2fq6B1 ILE 371 HG12 -0.60 0.01 -0.13 -0.04 1.49 0.72 2fq6B1 ILE 371 HG13 -0.35 0.01 -0.07 -0.04 1.21 0.76 2fq6B1 ILE 371 HG23 -0.17 0.00 -0.15 -0.04 0.93 0.58 2fq6B1 ILE 371 HD13 -0.10 0.01 -0.15 -0.04 0.88 0.60 2fq6B1 ARG 372 H -0.20 0.49 0.29 -0.55 8.46 8.49 2fq6B1 ARG 372 HA -0.26 0.23 1.16 -0.75 4.34 4.72 2fq6B1 ARG 372 HB2 -0.15 -0.05 0.06 -0.04 1.90 1.72 2fq6B1 ARG 372 HB3 -0.12 -0.08 0.12 -0.04 1.80 1.68 2fq6B1 ARG 372 HG2 -0.20 0.12 -0.09 -0.04 1.67 1.46 2fq6B1 ARG 372 HG3 -0.19 0.09 -0.03 -0.04 1.67 1.50 2fq6B1 ARG 372 HD2 -0.26 -0.10 -0.04 -0.04 3.22 2.78 2fq6B1 ARG 372 HD3 -0.11 -0.07 -0.01 -0.04 3.22 3.00 2fq6B1 LEU 373 H -0.39 0.65 0.40 -0.55 8.37 8.48 2fq6B1 LEU 373 HA -0.11 0.32 1.04 -0.75 4.35 4.84 2fq6B1 LEU 373 HB2 -0.80 -0.01 0.08 -0.04 1.64 0.87 2fq6B1 LEU 373 HB3 -0.10 -0.00 -0.08 -0.04 1.64 1.42 2fq6B1 LEU 373 HG -0.11 -0.01 -0.17 -0.04 1.64 1.31 2fq6B1 LEU 373 HD13 -0.05 -0.01 -0.11 -0.04 0.93 0.72 2fq6B1 LEU 373 HD23 -0.42 0.01 -0.08 -0.04 0.89 0.37 2fq6B1 HIS 374 H 0.13 0.58 0.30 -0.55 8.41 8.88 2fq6B1 HIS 374 HA 0.05 0.21 0.88 -0.75 4.63 5.01 2fq6B1 HIS 374 HB2 0.08 -0.00 0.10 -0.04 3.26 3.40 2fq6B1 HIS 374 HB3 0.06 -0.08 0.23 -0.04 3.20 3.37 2fq6B1 HIS 374 HD2 0.14 -0.03 -0.08 -0.04 6.97 6.96 2fq6B1 HIS 374 HE1 0.06 0.45 -0.20 -0.04 7.75 8.02 2fq6B1 ILE 375 H -0.22 0.64 0.12 -0.55 8.25 8.24 2fq6B1 ILE 375 HA 0.01 0.00 0.75 -0.75 4.18 4.19 2fq6B1 ILE 375 HB 0.12 0.05 0.23 -0.04 1.89 2.25 2fq6B1 ILE 375 HG12 0.34 0.09 -0.05 -0.04 1.49 1.82 2fq6B1 ILE 375 HG13 0.45 -0.01 0.01 -0.04 1.21 1.61 2fq6B1 ILE 375 HG23 0.09 0.03 -0.19 -0.04 0.93 0.82 2fq6B1 ILE 375 HD13 0.34 -0.00 -0.14 -0.04 0.88 1.04 2fq6B1 GLY 376 H -0.05 0.00 -0.09 -0.55 8.43 7.74 2fq6B1 GLY 376 HA2 0.34 0.23 0.32 -0.51 4.01 4.39 2fq6B1 GLY 376 HA3 0.13 -0.09 -0.27 -0.51 4.01 3.26 2fq6B1 LEU 377 H 0.10 0.73 0.21 -0.55 8.37 8.87 2fq6B1 LEU 377 HA -0.05 0.22 0.64 -0.75 4.35 4.40 2fq6B1 LEU 377 HB2 0.04 0.01 0.11 -0.04 1.64 1.76 2fq6B1 LEU 377 HB3 -0.04 -0.03 0.16 -0.04 1.64 1.69 2fq6B1 LEU 377 HG 0.07 -0.02 0.03 -0.04 1.64 1.68 2fq6B1 LEU 377 HD13 0.02 -0.00 0.04 -0.04 0.93 0.95 2fq6B1 LEU 377 HD23 -0.37 0.02 -0.09 -0.04 0.89 0.41 2fq6B1 GLU 378 H -0.02 -0.04 -0.19 -0.55 8.60 7.81 2fq6B1 GLU 378 HA -0.02 0.10 0.50 -0.75 4.29 4.11 2fq6B1 GLU 378 HB2 -0.09 -0.01 -0.10 -0.04 2.09 1.85 2fq6B1 GLU 378 HB3 -0.06 -0.05 0.10 -0.04 1.99 1.94 2fq6B1 GLU 378 HG2 -0.06 0.07 0.04 -0.04 2.34 2.34 2fq6B1 GLU 378 HG3 -0.01 0.05 0.05 -0.04 2.34 2.39 2fq6B1 ASP 379 H -0.03 0.10 0.13 -0.55 8.40 8.05 2fq6B1 ASP 379 HA -0.03 0.16 0.52 -0.75 4.63 4.53 2fq6B1 ASP 379 HB2 -0.03 0.12 0.15 -0.04 2.71 2.92 2fq6B1 ASP 379 HB3 -0.03 -0.07 0.17 -0.04 2.70 2.72 2fq6B1 VAL 380 H -0.03 0.22 0.19 -0.55 8.24 8.08 2fq6B1 VAL 380 HA -0.03 0.11 0.23 -0.75 4.13 3.69 2fq6B1 VAL 380 HB -0.01 0.11 0.13 -0.04 2.12 2.31 2fq6B1 VAL 380 HG13 -0.03 0.01 0.02 -0.04 0.97 0.93 2fq6B1 VAL 380 HG23 0.00 0.02 0.04 -0.04 0.95 0.96 2fq6B1 ASP 381 H -0.05 0.10 -0.16 -0.55 8.40 7.75 2fq6B1 ASP 381 HA -0.13 0.12 0.48 -0.75 4.63 4.35 2fq6B1 ASP 381 HB2 -0.05 -0.01 0.05 -0.04 2.71 2.66 2fq6B1 ASP 381 HB3 -0.07 0.06 0.03 -0.04 2.70 2.68 2fq6B1 ASP 382 H -0.05 0.11 -0.25 -0.55 8.40 7.66 2fq6B1 ASP 382 HA -0.03 0.07 0.43 -0.75 4.63 4.35 2fq6B1 ASP 382 HB2 -0.04 0.16 0.11 -0.04 2.71 2.89 2fq6B1 ASP 382 HB3 -0.03 0.01 -0.03 -0.04 2.70 2.61 2fq6B1 LEU 383 H -0.05 0.39 -0.33 -0.55 8.37 7.83 2fq6B1 LEU 383 HA 0.01 -0.01 0.42 -0.75 4.35 4.02 2fq6B1 LEU 383 HB2 -0.01 0.14 0.09 -0.04 1.64 1.82 2fq6B1 LEU 383 HB3 0.10 -0.01 -0.04 -0.04 1.64 1.64 2fq6B1 LEU 383 HG -0.11 0.09 -0.21 -0.04 1.64 1.36 2fq6B1 LEU 383 HD13 -0.08 -0.01 -0.16 -0.04 0.93 0.63 2fq6B1 LEU 383 HD23 -0.57 -0.02 -0.09 -0.04 0.89 0.17 2fq6B1 ILE 384 H -0.12 0.65 0.01 -0.55 8.25 8.24 2fq6B1 ILE 384 HA -0.39 0.02 0.49 -0.75 4.18 3.54 2fq6B1 ILE 384 HB -0.39 0.03 0.15 -0.04 1.89 1.64 2fq6B1 ILE 384 HG12 -0.55 -0.00 0.01 -0.04 1.49 0.91 2fq6B1 ILE 384 HG13 -0.20 0.04 0.04 -0.04 1.21 1.06 2fq6B1 ILE 384 HG23 -1.66 0.00 -0.11 -0.04 0.93 -0.87 2fq6B1 ILE 384 HD13 -0.30 -0.01 -0.13 -0.04 0.88 0.40 2fq6B1 ALA 385 H -0.12 0.64 -0.18 -0.55 8.40 8.19 2fq6B1 ALA 385 HA -0.05 0.02 0.47 -0.75 4.34 4.03 2fq6B1 ALA 385 HB3 -0.02 0.03 0.09 -0.04 1.41 1.47 2fq6B1 ASP 386 H 0.06 0.45 -0.21 -0.55 8.40 8.15 2fq6B1 ASP 386 HA 0.08 0.05 0.52 -0.75 4.63 4.52 2fq6B1 ASP 386 HB2 0.16 0.17 0.21 -0.04 2.71 3.21 2fq6B1 ASP 386 HB3 0.48 0.06 0.13 -0.04 2.70 3.33 2fq6B1 LEU 387 H 0.19 0.57 0.02 -0.55 8.37 8.60 2fq6B1 LEU 387 HA 0.14 0.01 0.50 -0.75 4.35 4.25 2fq6B1 LEU 387 HB2 0.06 0.11 0.14 -0.04 1.64 1.91 2fq6B1 LEU 387 HB3 0.16 -0.02 -0.01 -0.04 1.64 1.73 2fq6B1 LEU 387 HG 0.09 0.04 0.03 -0.04 1.64 1.76 2fq6B1 LEU 387 HD13 0.16 -0.01 -0.08 -0.04 0.93 0.96 2fq6B1 LEU 387 HD23 -0.51 -0.01 -0.04 -0.04 0.89 0.28 2fq6B1 ASP 388 H 0.09 0.65 -0.19 -0.55 8.40 8.40 2fq6B1 ASP 388 HA 0.66 -0.01 0.40 -0.75 4.63 4.93 2fq6B1 ASP 388 HB2 0.23 0.09 0.10 -0.04 2.71 3.09 2fq6B1 ASP 388 HB3 0.14 0.09 0.14 -0.04 2.70 3.02 2fq6B1 ALA 389 H 0.05 0.59 -0.10 -0.55 8.40 8.40 2fq6B1 ALA 389 HA 0.05 0.00 0.51 -0.75 4.34 4.14 2fq6B1 ALA 389 HB3 -0.04 0.02 0.12 -0.04 1.41 1.46 2fq6B1 GLY 390 H -0.16 0.44 -0.26 -0.55 8.43 7.90 2fq6B1 GLY 390 HA2 -0.35 0.07 0.40 -0.51 4.01 3.62 2fq6B1 GLY 390 HA3 -0.39 0.04 0.29 -0.51 4.01 3.44 2fq6B1 PHE 391 H 0.05 0.48 -0.17 -0.55 8.34 8.16 2fq6B1 PHE 391 HA 0.12 -0.00 0.32 -0.75 4.62 4.30 2fq6B1 PHE 391 HB2 0.13 0.17 0.15 -0.04 3.15 3.56 2fq6B1 PHE 391 HB3 0.11 -0.06 -0.02 -0.04 3.06 3.05 2fq6B1 PHE 391 HD2 -0.02 -0.01 -0.06 -0.04 7.28 7.16 2fq6B1 PHE 391 HE2 -0.28 -0.02 -0.12 -0.04 7.38 6.92 2fq6B1 PHE 391 HZ -0.60 -0.00 -0.09 -0.04 7.32 6.59 2fq6B1 ALA 392 H 0.20 0.43 -0.28 -0.55 8.40 8.20 2fq6B1 ALA 392 HA 0.13 -0.03 0.34 -0.75 4.34 4.03 2fq6B1 ALA 392 HB3 0.09 0.04 0.09 -0.04 1.41 1.59 2fq6B1 ARG 393 H 0.08 0.38 -0.42 -0.55 8.46 7.95 2fq6B1 ARG 393 HA 0.04 0.02 0.54 -0.75 4.34 4.19 2fq6B1 ARG 393 HB2 0.04 0.19 0.08 -0.04 1.90 2.17 2fq6B1 ARG 393 HB3 0.03 -0.10 -0.07 -0.04 1.80 1.62 2fq6B1 ARG 393 HG2 -0.02 -0.09 0.00 -0.04 1.67 1.53 2fq6B1 ARG 393 HG3 -0.06 0.18 0.00 -0.04 1.67 1.75 2fq6B1 ARG 393 HD2 -0.05 -0.00 -0.01 -0.04 3.22 3.12 2fq6B1 ARG 393 HD3 -0.09 -0.06 -0.01 -0.04 3.22 3.01 2fq6B1 ILE 394 H 0.13 0.45 -0.32 -0.55 8.25 7.96 2fq6B1 ILE 394 HA 0.05 0.16 0.95 -0.75 4.18 4.59 2fq6B1 ILE 394 HB 0.00 -0.12 0.18 -0.04 1.89 1.91 2fq6B1 ILE 394 HG12 0.13 0.21 0.02 -0.04 1.49 1.82 2fq6B1 ILE 394 HG13 0.11 0.08 -0.09 -0.04 1.21 1.27 2fq6B1 ILE 394 HG23 0.05 -0.03 -0.12 -0.04 0.93 0.80 2fq6B1 ILE 394 HD13 -0.23 -0.05 -0.03 -0.04 0.88 0.53 2fq6B1 VAL 395 H 0.08 0.28 -0.25 -0.55 8.24 7.79 2fq6B1 VAL 395 HA 0.05 0.09 0.28 -0.75 4.13 3.80 2fq6B1 VAL 395 HB 0.04 -0.04 0.05 -0.04 2.12 2.13 2fq6B1 VAL 395 HG13 0.09 0.03 -0.02 -0.04 0.97 1.03 2fq6B1 VAL 395 HG23 0.04 0.05 0.04 -0.04 0.95 1.05