============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 5 1.000 27.791 29.826 14.105 -99.200 -91.000 PHE 12 1.000 38.259 35.798 11.213 -99.200 -91.000 TRP 14 1.040 36.697 28.616 19.411 -99.200 -91.000 TRP6 14 1.020 36.153 26.939 17.829 -99.200 -91.000 HIS 23 0.900 52.058 30.030 11.939 -99.200 -91.000 TYR 30 0.840 53.520 8.902 13.356 -99.200 -91.000 TYR 50 0.840 38.429 13.183 22.885 -99.200 -91.000 TYR 52 0.840 44.969 10.896 22.823 -99.200 -91.000 TYR 62 0.840 33.766 8.882 16.686 -99.200 -91.000 PHE 70 1.000 29.010 5.746 11.339 -99.200 -91.000 TRP 88 1.040 53.433 35.872 12.191 -99.200 -91.000 TRP6 88 1.020 51.103 35.491 12.468 -99.200 -91.000 HIS 90 0.900 49.538 36.059 17.125 -99.200 -91.000 HIS 99 0.900 51.679 23.580 11.972 -99.200 -91.000 HIS 103 0.900 50.295 19.640 7.366 -99.200 -91.000 HIS 106 0.900 45.653 22.062 5.762 -99.200 -91.000 HIS 118 0.900 27.810 20.514 19.786 -99.200 -91.000 HIS 120 0.900 23.132 24.766 12.271 -99.200 -91.000 HIS 122 0.900 19.948 17.510 18.732 -99.200 -91.000 HIS 123 0.900 18.246 20.903 12.597 -99.200 -91.000 PHE 132 1.000 40.206 17.115 14.776 -99.200 -91.000 PHE 158 1.000 33.245 15.034 0.651 -99.200 -91.000 HIS 161 0.900 47.766 21.393 1.484 -99.200 -91.000 PHE 168 1.000 40.651 35.265 0.817 -99.200 -91.000 PHE 178 1.000 43.843 17.592 -7.157 -99.200 -91.000 PHE 185 1.000 64.371 3.015 -8.782 -99.200 -91.000 PHE 242 1.000 50.083 13.876 -11.926 -99.200 -91.000 PHE 245 1.000 53.406 4.188 -8.543 -99.200 -91.000 HIS 263 0.900 75.018 -3.925 -19.952 -99.200 -91.000 TYR 289 0.840 34.912 17.472 -10.204 -99.200 -91.000 PHE 292 1.000 35.225 21.173 -3.498 -99.200 -91.000 PHE 305 1.000 35.364 23.195 -9.335 -99.200 -91.000 PHE 317 1.000 42.180 12.907 1.594 -99.200 -91.000 TYR 319 0.840 49.571 4.902 1.807 -99.200 -91.000 PHE 320 1.000 42.508 9.234 5.646 -99.200 -91.000 HIS 327 0.900 36.285 16.508 -3.882 -99.200 -91.000 PHE 328 1.000 44.246 17.097 -0.905 -99.200 -91.000 TYR 340 0.840 48.793 35.730 1.340 -99.200 -91.000 HIS 344 0.900 57.320 21.488 2.216 -99.200 -91.000 TYR 348 0.840 51.648 28.498 4.589 -99.200 -91.000 TYR 357 0.840 35.329 33.140 2.457 -99.200 -91.000 HIS 362 0.900 36.943 20.669 6.327 -99.200 -91.000 TYR 369 0.840 28.144 11.692 1.189 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2q43A12 LYS 16 HA 0.03 -0.02 0.22 -0.75 4.32 3.79 2q43A12 LYS 16 HB2 -0.01 0.02 0.00 -0.04 1.87 1.84 2q43A12 LYS 16 HB3 0.02 -0.01 -0.02 -0.04 1.79 1.74 2q43A12 LYS 16 HG2 -0.02 0.03 0.04 -0.04 1.46 1.47 2q43A12 LYS 16 HG3 -0.02 0.04 0.01 -0.04 1.46 1.45 2q43A12 LYS 16 HD2 0.01 -0.01 0.03 -0.04 1.69 1.67 2q43A12 LYS 16 HD3 0.01 -0.03 0.05 -0.04 1.68 1.66 2q43A12 LYS 16 HE2 -0.01 0.03 0.02 -0.04 2.99 2.98 2q43A12 LYS 16 HE3 -0.01 0.02 0.01 -0.04 2.99 2.97 2q43A12 LEU 17 H 0.05 0.31 0.10 -0.55 8.37 8.28 2q43A12 LEU 17 HA 0.24 0.07 0.39 -0.75 4.35 4.29 2q43A12 LEU 17 HB2 0.15 0.00 0.04 -0.04 1.64 1.79 2q43A12 LEU 17 HB3 0.11 0.08 0.10 -0.04 1.64 1.89 2q43A12 LEU 17 HG 0.05 -0.02 -0.15 -0.04 1.64 1.48 2q43A12 LEU 17 HD13 0.05 0.02 0.03 -0.04 0.93 0.98 2q43A12 LEU 17 HD23 0.02 -0.02 0.08 -0.04 0.89 0.93 2q43A12 LEU 18 H 0.05 0.22 -0.25 -0.55 8.37 7.84 2q43A12 LEU 18 HA -0.01 0.06 0.37 -0.75 4.35 4.03 2q43A12 LEU 18 HB2 0.03 0.03 0.01 -0.04 1.64 1.67 2q43A12 LEU 18 HB3 0.02 0.03 -0.00 -0.04 1.64 1.65 2q43A12 LEU 18 HG -0.02 -0.02 -0.23 -0.04 1.64 1.32 2q43A12 LEU 18 HD13 -0.06 -0.01 -0.08 -0.04 0.93 0.74 2q43A12 LEU 18 HD23 0.10 0.03 -0.09 -0.04 0.89 0.88 2q43A12 GLU 19 H 0.05 0.20 -0.30 -0.55 8.60 8.00 2q43A12 GLU 19 HA 0.01 0.05 0.36 -0.75 4.29 3.95 2q43A12 GLU 19 HB2 0.08 0.07 0.03 -0.04 2.09 2.23 2q43A12 GLU 19 HB3 0.04 -0.03 0.06 -0.04 1.99 2.02 2q43A12 GLU 19 HG2 0.04 0.04 0.12 -0.04 2.34 2.50 2q43A12 GLU 19 HG3 0.03 0.01 0.04 -0.04 2.34 2.38 2q43A12 PHE 20 H 0.21 0.50 -0.13 -0.55 8.34 8.37 2q43A12 PHE 20 HA 0.02 -0.00 0.46 -0.75 4.62 4.34 2q43A12 PHE 20 HB2 0.05 0.02 0.06 -0.04 3.15 3.24 2q43A12 PHE 20 HB3 0.05 0.07 0.14 -0.04 3.06 3.28 2q43A12 PHE 20 HD2 0.02 -0.02 0.03 -0.04 7.28 7.28 2q43A12 PHE 20 HE2 -0.06 -0.00 -0.06 -0.04 7.38 7.22 2q43A12 PHE 20 HZ -0.10 0.03 -0.06 -0.04 7.32 7.15 2q43A12 ALA 21 H 0.05 0.81 -0.08 -0.55 8.40 8.63 2q43A12 ALA 21 HA -0.19 -0.02 0.36 -0.75 4.34 3.74 2q43A12 ALA 21 HB3 -0.04 -0.01 0.10 -0.04 1.41 1.42 2q43A12 LYS 22 H -0.07 0.39 -0.46 -0.55 8.42 7.73 2q43A12 LYS 22 HA -0.17 0.03 0.60 -0.75 4.32 4.02 2q43A12 LYS 22 HB2 -0.08 0.11 0.08 -0.04 1.87 1.93 2q43A12 LYS 22 HB3 -0.17 -0.10 0.05 -0.04 1.79 1.53 2q43A12 LYS 22 HG2 -0.37 -0.09 -0.04 -0.04 1.46 0.91 2q43A12 LYS 22 HG3 -0.21 0.31 0.01 -0.04 1.46 1.54 2q43A12 LYS 22 HD2 -0.08 -0.01 -0.08 -0.04 1.69 1.48 2q43A12 LYS 22 HD3 -0.15 -0.05 -0.02 -0.04 1.68 1.42 2q43A12 LYS 22 HE2 -0.64 -0.04 -0.06 -0.04 2.99 2.22 2q43A12 LYS 22 HE3 -0.19 -0.00 -0.11 -0.04 2.99 2.65 2q43A12 SER 23 H -0.03 0.32 -0.24 -0.55 8.46 7.97 2q43A12 SER 23 HA 0.03 0.07 0.40 -0.75 4.49 4.23 2q43A12 SER 23 HB2 0.09 -0.06 0.15 -0.04 3.95 4.09 2q43A12 SER 23 HB3 0.12 0.14 0.23 -0.04 3.93 4.37 2q43A12 PRO 24 HA 0.19 0.04 0.42 -0.51 4.44 4.58 2q43A12 PRO 24 HB2 0.07 0.02 0.05 -0.04 2.28 2.37 2q43A12 PRO 24 HB3 0.09 0.03 0.10 -0.04 2.02 2.20 2q43A12 PRO 24 HG2 0.05 0.04 0.10 -0.04 2.03 2.18 2q43A12 PRO 24 HG3 0.07 0.08 0.12 -0.04 2.03 2.25 2q43A12 PRO 24 HD2 0.06 0.07 0.22 -0.04 3.68 3.99 2q43A12 PRO 24 HD3 0.04 0.19 0.25 -0.04 3.65 4.08 2q43A12 GLU 25 H 0.06 0.09 -0.33 -0.55 8.60 7.87 2q43A12 GLU 25 HA 0.04 0.06 0.36 -0.75 4.29 4.00 2q43A12 GLU 25 HB2 0.06 -0.02 0.08 -0.04 2.09 2.18 2q43A12 GLU 25 HB3 0.01 -0.03 0.08 -0.04 1.99 2.02 2q43A12 GLU 25 HG2 0.04 0.04 -0.02 -0.04 2.34 2.36 2q43A12 GLU 25 HG3 -0.04 0.02 -0.08 -0.04 2.34 2.20 2q43A12 VAL 26 H -0.09 0.17 -0.09 -0.55 8.24 7.68 2q43A12 VAL 26 HA 0.02 0.04 0.43 -0.75 4.13 3.87 2q43A12 VAL 26 HB -0.26 0.25 0.10 -0.04 2.12 2.17 2q43A12 VAL 26 HG13 -0.01 -0.02 -0.05 -0.04 0.97 0.85 2q43A12 VAL 26 HG23 -0.89 -0.03 -0.02 -0.04 0.95 -0.03 2q43A12 PHE 27 H 0.17 0.79 -0.14 -0.55 8.34 8.61 2q43A12 PHE 27 HA 0.02 0.00 0.38 -0.75 4.62 4.27 2q43A12 PHE 27 HB2 -0.03 0.18 0.01 -0.04 3.15 3.26 2q43A12 PHE 27 HB3 -0.00 -0.02 -0.04 -0.04 3.06 2.95 2q43A12 PHE 27 HD2 -0.00 0.01 -0.03 -0.04 7.28 7.22 2q43A12 PHE 27 HE2 0.02 0.09 -0.04 -0.04 7.38 7.41 2q43A12 PHE 27 HZ 0.02 -0.12 -0.19 -0.04 7.32 6.99 2q43A12 ASP 28 H 0.12 0.54 -0.12 -0.55 8.40 8.39 2q43A12 ASP 28 HA -0.25 -0.04 0.40 -0.75 4.63 3.98 2q43A12 ASP 28 HB2 0.06 0.20 0.13 -0.04 2.71 3.06 2q43A12 ASP 28 HB3 0.00 -0.08 0.02 -0.04 2.70 2.60 2q43A12 TRP 29 H 0.22 0.43 -0.28 -0.55 7.97 7.79 2q43A12 TRP 29 HA -0.07 -0.01 0.43 -0.75 4.62 4.22 2q43A12 TRP 29 HB2 -0.04 0.08 0.14 -0.04 3.23 3.37 2q43A12 TRP 29 HB3 -0.06 0.15 0.20 -0.04 3.23 3.48 2q43A12 TRP 29 HD1 -0.04 -0.02 0.01 -0.04 7.22 7.13 2q43A12 TRP 29 HE1 -0.03 0.00 -0.03 -0.04 10.20 10.09 2q43A12 TRP 29 HE3 -0.06 0.11 -0.00 -0.04 7.59 7.60 2q43A12 TRP 29 HZ2 -0.03 0.01 -0.06 -0.04 7.44 7.33 2q43A12 TRP 29 HZ3 -0.02 -0.02 -0.25 -0.04 7.13 6.79 2q43A12 TRP 29 HH2 -0.00 0.08 -0.13 -0.04 7.19 7.10 2q43A12 MET 30 H 0.13 0.70 -0.06 -0.55 8.47 8.69 2q43A12 MET 30 HA -0.50 0.01 0.43 -0.75 4.52 3.71 2q43A12 MET 30 HB2 -0.02 0.17 0.18 -0.04 2.15 2.43 2q43A12 MET 30 HB3 -0.08 -0.14 -0.07 -0.04 2.03 1.69 2q43A12 MET 30 HG2 -0.08 -0.01 0.00 -0.04 2.63 2.50 2q43A12 MET 30 HG3 0.27 0.18 0.03 -0.04 2.56 3.00 2q43A12 MET 30 HE3 0.15 -0.00 -0.20 -0.04 2.10 2.00 2q43A12 VAL 31 H -0.34 0.78 -0.04 -0.55 8.24 8.09 2q43A12 VAL 31 HA -0.22 -0.07 0.39 -0.75 4.13 3.47 2q43A12 VAL 31 HB -0.42 0.13 0.14 -0.04 2.12 1.93 2q43A12 VAL 31 HG13 -0.19 -0.03 -0.08 -0.04 0.97 0.63 2q43A12 VAL 31 HG23 -0.87 0.03 0.03 -0.04 0.95 0.09 2q43A12 LYS 32 H -0.21 0.60 -0.25 -0.55 8.42 8.01 2q43A12 LYS 32 HA -0.19 -0.01 0.47 -0.75 4.32 3.85 2q43A12 LYS 32 HB2 -0.14 0.15 0.14 -0.04 1.87 1.98 2q43A12 LYS 32 HB3 -0.11 -0.06 0.03 -0.04 1.79 1.61 2q43A12 LYS 32 HG2 -0.08 -0.08 0.02 -0.04 1.46 1.28 2q43A12 LYS 32 HG3 -0.11 0.06 0.07 -0.04 1.46 1.43 2q43A12 LYS 32 HD2 -0.01 -0.07 -0.05 -0.04 1.69 1.52 2q43A12 LYS 32 HD3 0.01 0.07 -0.17 -0.04 1.68 1.55 2q43A12 LYS 32 HE2 -0.02 0.02 -0.01 -0.04 2.99 2.94 2q43A12 LYS 32 HE3 -0.01 -0.04 -0.02 -0.04 2.99 2.88 2q43A12 ILE 33 H -0.35 0.50 -0.15 -0.55 8.25 7.70 2q43A12 ILE 33 HA -0.24 0.04 0.50 -0.75 4.18 3.73 2q43A12 ILE 33 HB -0.50 0.10 0.24 -0.04 1.89 1.69 2q43A12 ILE 33 HG12 -0.45 -0.04 0.02 -0.04 1.49 0.98 2q43A12 ILE 33 HG13 -0.69 0.11 0.07 -0.04 1.21 0.66 2q43A12 ILE 33 HG23 -0.27 -0.03 -0.14 -0.04 0.93 0.45 2q43A12 ILE 33 HD13 -1.58 -0.01 -0.07 -0.04 0.88 -0.82 2q43A12 ARG 34 H -0.21 0.79 0.02 -0.55 8.46 8.52 2q43A12 ARG 34 HA -0.09 -0.00 0.34 -0.75 4.34 3.84 2q43A12 ARG 34 HB2 -0.09 0.03 0.06 -0.04 1.90 1.86 2q43A12 ARG 34 HB3 -0.10 0.13 0.11 -0.04 1.80 1.90 2q43A12 ARG 34 HG2 -0.02 -0.14 -0.19 -0.04 1.67 1.29 2q43A12 ARG 34 HG3 -0.01 -0.06 -0.10 -0.04 1.67 1.46 2q43A12 ARG 34 HD2 0.00 0.02 -0.10 -0.04 3.22 3.10 2q43A12 ARG 34 HD3 0.02 0.11 -0.56 -0.04 3.22 2.75 2q43A12 ARG 35 H -0.14 0.57 -0.24 -0.55 8.46 8.09 2q43A12 ARG 35 HA 0.00 -0.02 0.45 -0.75 4.34 4.02 2q43A12 ARG 35 HB2 -0.27 0.13 0.14 -0.04 1.90 1.86 2q43A12 ARG 35 HB3 -0.38 -0.01 0.01 -0.04 1.80 1.38 2q43A12 ARG 35 HG2 -0.21 -0.09 0.01 -0.04 1.67 1.34 2q43A12 ARG 35 HG3 -0.17 0.11 0.09 -0.04 1.67 1.66 2q43A12 ARG 35 HD2 -0.45 0.06 -0.08 -0.04 3.22 2.71 2q43A12 ARG 35 HD3 -1.82 -0.03 -0.04 -0.04 3.22 1.29 2q43A12 LYS 36 H -0.10 0.50 -0.19 -0.55 8.42 8.07 2q43A12 LYS 36 HA -0.04 0.04 0.40 -0.75 4.32 3.98 2q43A12 LYS 36 HB2 -0.08 0.08 0.15 -0.04 1.87 1.97 2q43A12 LYS 36 HB3 -0.09 0.11 0.15 -0.04 1.79 1.92 2q43A12 LYS 36 HG2 -0.06 -0.00 -0.01 -0.04 1.46 1.34 2q43A12 LYS 36 HG3 -0.04 -0.04 -0.17 -0.04 1.46 1.16 2q43A12 LYS 36 HD2 -0.03 -0.02 0.08 -0.04 1.69 1.68 2q43A12 LYS 36 HD3 -0.04 0.02 0.02 -0.04 1.68 1.64 2q43A12 LYS 36 HE2 -0.03 0.01 -0.01 -0.04 2.99 2.91 2q43A12 LYS 36 HE3 -0.03 -0.03 -0.02 -0.04 2.99 2.86 2q43A12 ILE 37 H -0.04 0.45 -0.22 -0.55 8.25 7.89 2q43A12 ILE 37 HA 0.01 0.08 0.48 -0.75 4.18 4.00 2q43A12 ILE 37 HB -0.07 0.09 0.14 -0.04 1.89 2.01 2q43A12 ILE 37 HG12 -0.03 -0.06 0.01 -0.04 1.49 1.35 2q43A12 ILE 37 HG13 -0.07 0.13 0.03 -0.04 1.21 1.26 2q43A12 ILE 37 HG23 -0.07 -0.04 -0.07 -0.04 0.93 0.71 2q43A12 ILE 37 HD13 -0.08 -0.01 -0.03 -0.04 0.88 0.72 2q43A12 HIS 38 H 0.12 0.57 -0.10 -0.55 8.41 8.46 2q43A12 HIS 38 HA 0.19 -0.17 0.37 -0.75 4.63 4.26 2q43A12 HIS 38 HB2 0.10 0.03 0.11 -0.04 3.26 3.46 2q43A12 HIS 38 HB3 0.09 0.20 0.13 -0.04 3.20 3.57 2q43A12 HIS 38 HD2 0.30 0.47 -0.12 -0.04 6.97 7.58 2q43A12 HIS 38 HE1 0.33 0.07 0.02 -0.04 7.75 8.13 2q43A12 GLU 39 H 0.07 0.52 -0.29 -0.55 8.60 8.35 2q43A12 GLU 39 HA -0.02 0.05 0.44 -0.75 4.29 4.01 2q43A12 GLU 39 HB2 -0.01 0.06 0.07 -0.04 2.09 2.16 2q43A12 GLU 39 HB3 -0.04 -0.09 0.07 -0.04 1.99 1.89 2q43A12 GLU 39 HG2 -0.09 0.12 -0.09 -0.04 2.34 2.24 2q43A12 GLU 39 HG3 -0.00 0.36 0.11 -0.04 2.34 2.77 2q43A12 ASN 40 H 0.03 0.31 -0.50 -0.55 8.53 7.82 2q43A12 ASN 40 HA -0.02 0.14 0.95 -0.75 4.76 5.08 2q43A12 ASN 40 HB2 -0.01 0.01 -0.08 -0.04 2.88 2.76 2q43A12 ASN 40 HB3 0.00 0.00 0.18 -0.04 2.79 2.94 2q43A12 ASN 40 HD21 -0.01 -0.06 0.01 -0.04 7.03 6.93 2q43A12 ASN 40 HD22 -0.01 -0.00 0.01 -0.04 7.74 7.70 2q43A12 PRO 41 HA -0.01 0.02 0.52 -0.51 4.44 4.46 2q43A12 PRO 41 HB2 -0.30 -0.12 -0.16 -0.04 2.28 1.66 2q43A12 PRO 41 HB3 -0.21 -0.07 0.02 -0.04 2.02 1.71 2q43A12 PRO 41 HG2 -0.09 0.03 -0.05 -0.04 2.03 1.88 2q43A12 PRO 41 HG3 -0.12 0.16 -0.22 -0.04 2.03 1.81 2q43A12 PRO 41 HD2 -0.04 0.11 -0.05 -0.04 3.68 3.65 2q43A12 PRO 41 HD3 -0.05 0.40 -0.23 -0.04 3.65 3.72 2q43A12 GLU 42 H -0.08 0.15 0.25 -0.55 8.60 8.38 2q43A12 GLU 42 HA -0.04 0.26 0.85 -0.75 4.29 4.60 2q43A12 GLU 42 HB2 0.02 -0.13 0.05 -0.04 2.09 1.99 2q43A12 GLU 42 HB3 0.00 0.13 -0.16 -0.04 1.99 1.92 2q43A12 GLU 42 HG2 -0.01 0.12 -0.05 -0.04 2.34 2.36 2q43A12 GLU 42 HG3 0.00 0.24 -0.39 -0.04 2.34 2.15 2q43A12 LEU 43 H -0.03 0.24 0.06 -0.55 8.37 8.10 2q43A12 LEU 43 HA -0.06 0.13 0.65 -0.75 4.35 4.32 2q43A12 LEU 43 HB2 -0.01 0.09 0.00 -0.04 1.64 1.68 2q43A12 LEU 43 HB3 -0.02 -0.04 0.12 -0.04 1.64 1.66 2q43A12 LEU 43 HG -0.04 0.02 -0.05 -0.04 1.64 1.53 2q43A12 LEU 43 HD13 -0.02 0.04 -0.03 -0.04 0.93 0.88 2q43A12 LEU 43 HD23 -0.08 0.00 -0.42 -0.04 0.89 0.35 2q43A12 GLY 44 H -0.03 0.21 0.18 -0.55 8.43 8.24 2q43A12 GLY 44 HA2 -0.15 -0.26 0.51 -0.51 4.01 3.60 2q43A12 GLY 44 HA3 -0.13 0.08 0.41 -0.51 4.01 3.86 2q43A12 TYR 45 H -0.20 -0.07 0.27 -0.55 8.29 7.74 2q43A12 TYR 45 HA 0.04 0.01 0.40 -0.75 4.56 4.26 2q43A12 TYR 45 HB2 0.02 0.30 0.14 -0.04 3.06 3.47 2q43A12 TYR 45 HB3 0.02 0.05 0.18 -0.04 2.98 3.19 2q43A12 TYR 45 HD2 0.02 0.09 -0.03 -0.04 7.15 7.20 2q43A12 TYR 45 HE2 0.02 0.06 -0.04 -0.04 6.85 6.84 2q43A12 GLU 46 H 0.06 0.48 -0.31 -0.55 8.60 8.28 2q43A12 GLU 46 HA 0.07 0.25 0.83 -0.75 4.29 4.69 2q43A12 GLU 46 HB2 0.02 -0.09 0.01 -0.04 2.09 1.99 2q43A12 GLU 46 HB3 0.03 0.01 0.16 -0.04 1.99 2.15 2q43A12 GLU 46 HG2 0.06 0.08 -0.20 -0.04 2.34 2.24 2q43A12 GLU 46 HG3 0.07 0.17 -0.32 -0.04 2.34 2.22 2q43A12 GLU 47 H 0.06 0.02 -0.15 -0.55 8.60 7.98 2q43A12 GLU 47 HA 0.03 0.11 0.45 -0.75 4.29 4.13 2q43A12 GLU 47 HB2 0.06 0.06 0.08 -0.04 2.09 2.25 2q43A12 GLU 47 HB3 0.05 0.05 0.07 -0.04 1.99 2.12 2q43A12 GLU 47 HG2 0.06 0.03 -0.33 -0.04 2.34 2.06 2q43A12 GLU 47 HG3 0.02 0.15 -0.26 -0.04 2.34 2.21 2q43A12 LEU 48 H 0.03 0.66 -0.25 -0.55 8.37 8.26 2q43A12 LEU 48 HA 0.04 0.13 0.31 -0.75 4.35 4.07 2q43A12 LEU 48 HB2 0.02 -0.01 0.11 -0.04 1.64 1.71 2q43A12 LEU 48 HB3 0.02 0.05 -0.02 -0.04 1.64 1.66 2q43A12 LEU 48 HG 0.04 0.01 -0.08 -0.04 1.64 1.57 2q43A12 LEU 48 HD13 0.03 0.02 0.02 -0.04 0.93 0.95 2q43A12 LEU 48 HD23 0.07 0.01 -0.09 -0.04 0.89 0.84 2q43A12 GLU 49 H 0.00 0.16 0.01 -0.55 8.60 8.23 2q43A12 GLU 49 HA -0.03 0.13 0.47 -0.75 4.29 4.11 2q43A12 GLU 49 HB2 -0.00 0.01 0.12 -0.04 2.09 2.18 2q43A12 GLU 49 HB3 -0.02 0.08 -0.00 -0.04 1.99 2.01 2q43A12 GLU 49 HG2 -0.01 -0.06 0.05 -0.04 2.34 2.28 2q43A12 GLU 49 HG3 -0.01 0.08 0.03 -0.04 2.34 2.40 2q43A12 THR 50 H 0.00 0.04 -0.22 -0.55 8.28 7.56 2q43A12 THR 50 HA -0.03 0.09 0.35 -0.75 4.39 4.04 2q43A12 THR 50 HB 0.03 -0.02 0.04 -0.04 4.32 4.34 2q43A12 THR 50 HG23 0.03 0.02 -0.05 -0.04 1.22 1.18 2q43A12 SER 51 H -0.02 0.58 -0.20 -0.55 8.46 8.28 2q43A12 SER 51 HA -0.11 0.00 0.39 -0.75 4.49 4.02 2q43A12 SER 51 HB2 0.03 -0.04 0.14 -0.04 3.95 4.05 2q43A12 SER 51 HB3 -0.02 0.02 0.20 -0.04 3.93 4.09 2q43A12 LYS 52 H -0.09 0.50 -0.26 -0.55 8.42 8.01 2q43A12 LYS 52 HA -0.22 0.02 0.46 -0.75 4.32 3.83 2q43A12 LYS 52 HB2 -0.07 0.08 0.21 -0.04 1.87 2.05 2q43A12 LYS 52 HB3 -0.08 -0.06 0.02 -0.04 1.79 1.63 2q43A12 LYS 52 HG2 -0.09 -0.03 0.02 -0.04 1.46 1.31 2q43A12 LYS 52 HG3 -0.09 0.11 0.07 -0.04 1.46 1.52 2q43A12 LYS 52 HD2 -0.02 -0.04 -0.05 -0.04 1.69 1.55 2q43A12 LYS 52 HD3 -0.03 -0.05 -0.12 -0.04 1.68 1.44 2q43A12 LYS 52 HE2 -0.04 0.01 -0.01 -0.04 2.99 2.91 2q43A12 LYS 52 HE3 -0.03 -0.00 -0.02 -0.04 2.99 2.90 2q43A12 LEU 53 H -0.10 0.72 0.00 -0.55 8.37 8.45 2q43A12 LEU 53 HA -0.09 -0.01 0.38 -0.75 4.35 3.87 2q43A12 LEU 53 HB2 -0.07 0.00 0.08 -0.04 1.64 1.61 2q43A12 LEU 53 HB3 -0.09 0.06 0.14 -0.04 1.64 1.71 2q43A12 LEU 53 HG -0.13 -0.01 -0.19 -0.04 1.64 1.27 2q43A12 LEU 53 HD13 -0.09 -0.01 0.04 -0.04 0.93 0.83 2q43A12 LEU 53 HD23 -0.10 -0.01 -0.03 -0.04 0.89 0.71 2q43A12 ILE 54 H -0.18 0.62 -0.29 -0.55 8.25 7.85 2q43A12 ILE 54 HA -0.26 -0.02 0.37 -0.75 4.18 3.51 2q43A12 ILE 54 HB -0.35 0.18 0.15 -0.04 1.89 1.84 2q43A12 ILE 54 HG12 -0.19 -0.06 -0.05 -0.04 1.49 1.14 2q43A12 ILE 54 HG13 -0.14 0.14 0.01 -0.04 1.21 1.19 2q43A12 ILE 54 HG23 -1.04 -0.02 -0.21 -0.04 0.93 -0.37 2q43A12 ILE 54 HD13 -0.02 -0.04 -0.14 -0.04 0.88 0.63 2q43A12 ARG 55 H -0.37 0.57 -0.03 -0.55 8.46 8.08 2q43A12 ARG 55 HA -0.62 0.01 0.36 -0.75 4.34 3.34 2q43A12 ARG 55 HB2 -0.37 0.08 0.15 -0.04 1.90 1.72 2q43A12 ARG 55 HB3 -0.37 -0.03 0.00 -0.04 1.80 1.36 2q43A12 ARG 55 HG2 -1.09 -0.02 -0.04 -0.04 1.67 0.48 2q43A12 ARG 55 HG3 -0.92 -0.07 -0.03 -0.04 1.67 0.62 2q43A12 ARG 55 HD2 -0.89 -0.02 -0.07 -0.04 3.22 2.20 2q43A12 ARG 55 HD3 -0.53 0.53 0.01 -0.04 3.22 3.19 2q43A12 SER 56 H -0.16 0.59 -0.24 -0.55 8.46 8.10 2q43A12 SER 56 HA -0.03 -0.01 0.32 -0.75 4.49 4.01 2q43A12 SER 56 HB2 -0.06 0.13 0.14 -0.04 3.95 4.12 2q43A12 SER 56 HB3 -0.02 -0.07 0.01 -0.04 3.93 3.81 2q43A12 GLU 57 H -0.07 0.52 -0.13 -0.55 8.60 8.37 2q43A12 GLU 57 HA 0.11 -0.00 0.41 -0.75 4.29 4.05 2q43A12 GLU 57 HB2 -0.03 0.10 0.12 -0.04 2.09 2.25 2q43A12 GLU 57 HB3 0.25 -0.05 -0.00 -0.04 1.99 2.15 2q43A12 GLU 57 HG2 -0.06 0.19 0.11 -0.04 2.34 2.54 2q43A12 GLU 57 HG3 -0.15 -0.07 0.00 -0.04 2.34 2.08 2q43A12 LEU 58 H -0.09 0.58 -0.11 -0.55 8.37 8.20 2q43A12 LEU 58 HA 0.04 -0.02 0.39 -0.75 4.35 4.01 2q43A12 LEU 58 HB2 -0.07 0.08 0.15 -0.04 1.64 1.76 2q43A12 LEU 58 HB3 0.13 0.13 0.02 -0.04 1.64 1.88 2q43A12 LEU 58 HG -0.32 0.16 -0.04 -0.04 1.64 1.39 2q43A12 LEU 58 HD13 -0.29 -0.02 -0.16 -0.04 0.93 0.43 2q43A12 LEU 58 HD23 0.07 -0.03 -0.07 -0.04 0.89 0.82 2q43A12 GLU 59 H 0.05 0.75 -0.10 -0.55 8.60 8.76 2q43A12 GLU 59 HA 0.09 -0.04 0.37 -0.75 4.29 3.95 2q43A12 GLU 59 HB2 0.05 0.10 0.15 -0.04 2.09 2.35 2q43A12 GLU 59 HB3 0.06 -0.07 0.01 -0.04 1.99 1.94 2q43A12 GLU 59 HG2 0.24 -0.06 0.01 -0.04 2.34 2.48 2q43A12 GLU 59 HG3 0.20 0.39 0.06 -0.04 2.34 2.94 2q43A12 LEU 60 H 0.03 0.68 -0.02 -0.55 8.37 8.51 2q43A12 LEU 60 HA 0.00 -0.04 0.36 -0.75 4.35 3.92 2q43A12 LEU 60 HB2 0.07 0.05 0.18 -0.04 1.64 1.90 2q43A12 LEU 60 HB3 0.02 -0.07 0.02 -0.04 1.64 1.57 2q43A12 LEU 60 HG 0.03 0.23 0.08 -0.04 1.64 1.93 2q43A12 LEU 60 HD13 0.08 -0.04 -0.07 -0.04 0.93 0.85 2q43A12 LEU 60 HD23 0.02 -0.03 -0.00 -0.04 0.89 0.84 2q43A12 ILE 61 H -0.00 0.72 -0.13 -0.55 8.25 8.29 2q43A12 ILE 61 HA -0.19 -0.05 0.35 -0.75 4.18 3.53 2q43A12 ILE 61 HB -0.07 0.05 0.06 -0.04 1.89 1.90 2q43A12 ILE 61 HG12 -0.14 -0.10 -0.01 -0.04 1.49 1.20 2q43A12 ILE 61 HG13 0.09 0.28 0.09 -0.04 1.21 1.63 2q43A12 ILE 61 HG23 -0.34 -0.02 -0.15 -0.04 0.93 0.38 2q43A12 ILE 61 HD13 0.28 -0.06 -0.15 -0.04 0.88 0.92 2q43A12 GLY 62 H -0.06 0.57 -0.10 -0.55 8.43 8.30 2q43A12 GLY 62 HA2 -0.02 -0.01 0.30 -0.51 4.01 3.77 2q43A12 GLY 62 HA3 -0.10 0.11 0.90 -0.51 4.01 4.42 2q43A12 ILE 63 H 0.04 0.34 0.06 -0.55 8.25 8.14 2q43A12 ILE 63 HA 0.13 0.20 1.00 -0.75 4.18 4.75 2q43A12 ILE 63 HB 0.10 -0.11 0.12 -0.04 1.89 1.95 2q43A12 ILE 63 HG12 0.13 0.11 -0.14 -0.04 1.49 1.54 2q43A12 ILE 63 HG13 -0.05 -0.05 -0.63 -0.04 1.21 0.43 2q43A12 ILE 63 HG23 0.14 0.09 -0.06 -0.04 0.93 1.07 2q43A12 ILE 63 HD13 0.09 -0.02 -0.12 -0.04 0.88 0.78 2q43A12 LYS 64 H 0.13 0.19 0.16 -0.55 8.42 8.34 2q43A12 LYS 64 HA -0.07 0.03 0.50 -0.75 4.32 4.03 2q43A12 LYS 64 HB2 0.18 0.02 0.12 -0.04 1.87 2.15 2q43A12 LYS 64 HB3 0.10 0.02 0.03 -0.04 1.79 1.90 2q43A12 LYS 64 HG2 -0.01 -0.01 0.05 -0.04 1.46 1.45 2q43A12 LYS 64 HG3 0.05 0.01 0.04 -0.04 1.46 1.52 2q43A12 LYS 64 HD2 0.06 0.03 0.01 -0.04 1.69 1.75 2q43A12 LYS 64 HD3 0.03 -0.00 0.00 -0.04 1.68 1.67 2q43A12 LYS 64 HE2 0.01 -0.02 0.01 -0.04 2.99 2.94 2q43A12 LYS 64 HE3 0.03 0.02 0.00 -0.04 2.99 3.00 2q43A12 TYR 65 H -0.35 0.21 0.25 -0.55 8.29 7.85 2q43A12 TYR 65 HA -0.03 0.25 0.87 -0.75 4.56 4.90 2q43A12 TYR 65 HB2 -0.02 -0.06 -0.15 -0.04 3.06 2.79 2q43A12 TYR 65 HB3 -0.04 0.03 -0.26 -0.04 2.98 2.67 2q43A12 TYR 65 HD2 0.04 0.11 -0.36 -0.04 7.15 6.90 2q43A12 TYR 65 HE2 0.02 0.02 -0.04 -0.04 6.85 6.80 2q43A12 ARG 66 H 0.18 0.70 0.33 -0.55 8.46 9.13 2q43A12 ARG 66 HA 0.21 0.15 0.87 -0.75 4.34 4.81 2q43A12 ARG 66 HB2 0.30 0.03 -0.00 -0.04 1.90 2.19 2q43A12 ARG 66 HB3 0.19 -0.04 0.16 -0.04 1.80 2.07 2q43A12 ARG 66 HG2 0.12 -0.02 -0.41 -0.04 1.67 1.32 2q43A12 ARG 66 HG3 0.12 0.02 -0.06 -0.04 1.67 1.70 2q43A12 ARG 66 HD2 0.12 0.02 -0.07 -0.04 3.22 3.25 2q43A12 ARG 66 HD3 0.14 -0.04 -0.10 -0.04 3.22 3.18 2q43A12 TYR 67 H 0.27 0.36 0.13 -0.55 8.29 8.51 2q43A12 TYR 67 HA 0.09 0.11 0.71 -0.75 4.56 4.73 2q43A12 TYR 67 HB2 0.05 -0.01 -0.11 -0.04 3.06 2.96 2q43A12 TYR 67 HB3 0.30 -0.01 -0.03 -0.04 2.98 3.19 2q43A12 TYR 67 HD2 0.05 0.15 -0.09 -0.04 7.15 7.21 2q43A12 TYR 67 HE2 0.02 -0.03 -0.05 -0.04 6.85 6.75 2q43A12 PRO 68 HA -0.44 0.25 0.35 -0.51 4.44 4.09 2q43A12 PRO 68 HB2 -0.29 -0.07 -0.09 -0.04 2.28 1.78 2q43A12 PRO 68 HB3 -1.21 0.09 0.06 -0.04 2.02 0.92 2q43A12 PRO 68 HG2 -0.21 -0.05 0.11 -0.04 2.03 1.85 2q43A12 PRO 68 HG3 -0.29 0.01 0.09 -0.04 2.03 1.79 2q43A12 PRO 68 HD2 -0.19 0.08 0.39 -0.04 3.68 3.93 2q43A12 PRO 68 HD3 -0.46 0.10 0.12 -0.04 3.65 3.37 2q43A12 VAL 69 H 0.05 0.63 -0.09 -0.55 8.24 8.28 2q43A12 VAL 69 HA 0.02 0.20 0.78 -0.75 4.13 4.37 2q43A12 VAL 69 HB 0.11 -0.07 -0.17 -0.04 2.12 1.95 2q43A12 VAL 69 HG13 0.08 0.00 -0.13 -0.04 0.97 0.88 2q43A12 VAL 69 HG23 0.09 0.05 -0.30 -0.04 0.95 0.76 2q43A12 ALA 70 H 0.02 0.27 0.01 -0.55 8.40 8.16 2q43A12 ALA 70 HA 0.05 0.10 0.25 -0.75 4.34 3.99 2q43A12 ALA 70 HB3 0.19 0.04 -0.01 -0.04 1.41 1.58 2q43A12 ILE 71 H -0.00 0.16 -0.35 -0.55 8.25 7.51 2q43A12 ILE 71 HA -0.02 0.08 0.27 -0.75 4.18 3.75 2q43A12 ILE 71 HB 0.18 0.02 0.26 -0.04 1.89 2.31 2q43A12 ILE 71 HG12 -0.06 0.05 -0.07 -0.04 1.49 1.37 2q43A12 ILE 71 HG13 -0.08 -0.15 -0.51 -0.04 1.21 0.43 2q43A12 ILE 71 HG23 0.05 0.02 -0.09 -0.04 0.93 0.87 2q43A12 ILE 71 HD13 -0.25 0.01 -0.05 -0.04 0.88 0.55 2q43A12 THR 72 H 0.19 0.33 0.21 -0.55 8.28 8.46 2q43A12 THR 72 HA 0.27 0.24 0.73 -0.75 4.39 4.87 2q43A12 THR 72 HB 0.11 0.08 -0.06 -0.04 4.32 4.41 2q43A12 THR 72 HG23 0.13 -0.04 -0.31 -0.04 1.22 0.96 2q43A12 GLY 73 H 0.15 0.19 -0.24 -0.55 8.43 7.98 2q43A12 GLY 73 HA2 0.15 0.02 0.41 -0.51 4.01 4.08 2q43A12 GLY 73 HA3 0.14 0.18 0.41 -0.51 4.01 4.23 2q43A12 VAL 74 H 0.18 0.50 0.37 -0.55 8.24 8.74 2q43A12 VAL 74 HA 0.18 0.29 0.92 -0.75 4.13 4.76 2q43A12 VAL 74 HB -0.15 -0.09 0.03 -0.04 2.12 1.86 2q43A12 VAL 74 HG13 -0.28 -0.01 -0.24 -0.04 0.97 0.41 2q43A12 VAL 74 HG23 -0.11 0.03 -0.19 -0.04 0.95 0.64 2q43A12 ILE 75 H 0.12 0.49 0.25 -0.55 8.25 8.56 2q43A12 ILE 75 HA 0.11 0.29 1.12 -0.75 4.18 4.95 2q43A12 ILE 75 HB 0.02 -0.04 0.16 -0.04 1.89 1.99 2q43A12 ILE 75 HG12 0.09 -0.02 -0.07 -0.04 1.49 1.46 2q43A12 ILE 75 HG13 0.11 -0.11 -0.42 -0.04 1.21 0.76 2q43A12 ILE 75 HG23 -0.18 0.03 -0.15 -0.04 0.93 0.59 2q43A12 ILE 75 HD13 0.11 0.01 -0.10 -0.04 0.88 0.85 2q43A12 GLY 76 H 0.07 0.49 0.31 -0.55 8.43 8.76 2q43A12 GLY 76 HA2 -0.10 0.28 0.96 -0.51 4.01 4.64 2q43A12 GLY 76 HA3 0.06 -0.01 0.33 -0.51 4.01 3.88 2q43A12 TYR 77 H 0.10 0.52 0.26 -0.55 8.29 8.62 2q43A12 TYR 77 HA 0.13 0.25 0.97 -0.75 4.56 5.15 2q43A12 TYR 77 HB2 0.10 -0.03 0.00 -0.04 3.06 3.10 2q43A12 TYR 77 HB3 0.13 -0.01 -0.06 -0.04 2.98 3.01 2q43A12 TYR 77 HD2 0.08 0.01 -0.19 -0.04 7.15 7.00 2q43A12 TYR 77 HE2 0.02 -0.02 -0.20 -0.04 6.85 6.61 2q43A12 ILE 78 H 0.22 0.54 0.25 -0.55 8.25 8.71 2q43A12 ILE 78 HA 0.15 0.16 0.82 -0.75 4.18 4.55 2q43A12 ILE 78 HB 0.11 -0.07 0.06 -0.04 1.89 1.95 2q43A12 ILE 78 HG12 0.17 0.14 -0.13 -0.04 1.49 1.63 2q43A12 ILE 78 HG13 0.15 -0.18 -0.65 -0.04 1.21 0.49 2q43A12 ILE 78 HG23 0.09 0.02 -0.08 -0.04 0.93 0.92 2q43A12 ILE 78 HD13 0.13 -0.00 -0.09 -0.04 0.88 0.88 2q43A12 GLY 79 H 0.06 0.29 0.21 -0.55 8.43 8.45 2q43A12 GLY 79 HA2 0.03 0.14 0.45 -0.51 4.01 4.12 2q43A12 GLY 79 HA3 0.08 0.10 1.02 -0.51 4.01 4.69 2q43A12 THR 80 H 0.02 0.86 0.36 -0.55 8.28 8.98 2q43A12 THR 80 HA 0.04 0.06 0.43 -0.75 4.39 4.17 2q43A12 THR 80 HB 0.00 -0.04 0.10 -0.04 4.32 4.35 2q43A12 THR 80 HG23 0.01 0.03 0.19 -0.04 1.22 1.41 2q43A12 GLY 81 H 0.06 0.07 -0.59 -0.55 8.43 7.43 2q43A12 GLY 81 HA2 0.12 -0.04 0.14 -0.51 4.01 3.72 2q43A12 GLY 81 HA3 0.06 0.15 0.63 -0.51 4.01 4.35 2q43A12 GLU 82 H -0.05 0.02 -0.50 -0.55 8.60 7.52 2q43A12 GLU 82 HA -0.03 0.20 0.82 -0.75 4.29 4.53 2q43A12 GLU 82 HB2 -0.08 0.06 -0.09 -0.04 2.09 1.94 2q43A12 GLU 82 HB3 -0.06 0.00 0.06 -0.04 1.99 1.95 2q43A12 GLU 82 HG2 -0.00 0.05 -0.31 -0.04 2.34 2.04 2q43A12 GLU 82 HG3 -0.01 -0.02 -0.08 -0.04 2.34 2.19 2q43A12 PRO 83 HA -0.97 -0.01 0.16 -0.51 4.44 3.12 2q43A12 PRO 83 HB2 -0.10 0.03 0.06 -0.04 2.28 2.23 2q43A12 PRO 83 HB3 -0.12 0.05 0.11 -0.04 2.02 2.01 2q43A12 PRO 83 HG2 -0.07 0.05 0.01 -0.04 2.03 1.97 2q43A12 PRO 83 HG3 0.01 0.02 0.05 -0.04 2.03 2.06 2q43A12 PRO 83 HD2 -0.07 0.07 0.17 -0.04 3.68 3.81 2q43A12 PRO 83 HD3 -0.01 0.14 0.13 -0.04 3.65 3.87 2q43A12 PRO 84 HA -0.10 0.00 0.44 -0.51 4.44 4.27 2q43A12 PRO 84 HB2 0.12 0.01 -0.01 -0.04 2.28 2.36 2q43A12 PRO 84 HB3 0.04 0.01 0.12 -0.04 2.02 2.16 2q43A12 PRO 84 HG2 0.02 0.02 0.21 -0.04 2.03 2.23 2q43A12 PRO 84 HG3 0.00 0.02 0.13 -0.04 2.03 2.14 2q43A12 PRO 84 HD2 -0.06 0.28 0.56 -0.04 3.68 4.42 2q43A12 PRO 84 HD3 -0.04 0.03 0.08 -0.04 3.65 3.68 2q43A12 PHE 85 H 0.15 0.17 0.24 -0.55 8.34 8.35 2q43A12 PHE 85 HA 0.10 0.39 1.04 -0.75 4.62 5.39 2q43A12 PHE 85 HB2 0.07 0.16 0.35 -0.04 3.15 3.69 2q43A12 PHE 85 HB3 0.09 -0.00 -0.00 -0.04 3.06 3.10 2q43A12 PHE 85 HD2 0.08 0.10 -0.02 -0.04 7.28 7.40 2q43A12 PHE 85 HE2 0.02 -0.04 -0.19 -0.04 7.38 7.13 2q43A12 PHE 85 HZ -0.01 0.10 -0.15 -0.04 7.32 7.22 2q43A12 VAL 86 H 0.22 0.68 0.42 -0.55 8.24 9.01 2q43A12 VAL 86 HA 0.08 0.10 1.00 -0.75 4.13 4.55 2q43A12 VAL 86 HB 0.13 -0.02 -0.07 -0.04 2.12 2.12 2q43A12 VAL 86 HG13 0.14 0.03 0.00 -0.04 0.97 1.10 2q43A12 VAL 86 HG23 -0.05 0.01 -0.10 -0.04 0.95 0.77 2q43A12 ALA 87 H 0.06 0.63 0.38 -0.55 8.40 8.93 2q43A12 ALA 87 HA 0.06 0.32 1.28 -0.75 4.34 5.24 2q43A12 ALA 87 HB3 -0.03 -0.01 0.08 -0.04 1.41 1.40 2q43A12 LEU 88 H -0.03 0.71 0.49 -0.55 8.37 8.99 2q43A12 LEU 88 HA 0.10 0.21 0.92 -0.75 4.35 4.82 2q43A12 LEU 88 HB2 -0.17 -0.04 0.10 -0.04 1.64 1.49 2q43A12 LEU 88 HB3 -0.28 -0.03 0.04 -0.04 1.64 1.33 2q43A12 LEU 88 HG 0.02 -0.00 -0.27 -0.04 1.64 1.34 2q43A12 LEU 88 HD13 -0.05 -0.01 -0.17 -0.04 0.93 0.65 2q43A12 LEU 88 HD23 0.12 0.03 -0.04 -0.04 0.89 0.96 2q43A12 ARG 89 H 0.05 0.54 0.42 -0.55 8.46 8.92 2q43A12 ARG 89 HA -0.14 0.32 1.22 -0.75 4.34 4.99 2q43A12 ARG 89 HB2 -0.13 0.00 -0.13 -0.04 1.90 1.60 2q43A12 ARG 89 HB3 0.20 -0.03 0.03 -0.04 1.80 1.97 2q43A12 ARG 89 HG2 0.12 0.15 0.08 -0.04 1.67 1.97 2q43A12 ARG 89 HG3 0.21 -0.08 -0.08 -0.04 1.67 1.67 2q43A12 ARG 89 HD2 0.27 -0.07 -0.20 -0.04 3.22 3.18 2q43A12 ARG 89 HD3 0.12 -0.01 -0.63 -0.04 3.22 2.66 2q43A12 ALA 90 H -0.13 0.62 0.45 -0.55 8.40 8.79 2q43A12 ALA 90 HA -0.04 0.11 0.82 -0.75 4.34 4.48 2q43A12 ALA 90 HB3 -0.10 -0.01 -0.05 -0.04 1.41 1.20 2q43A12 ASP 91 H 0.06 0.10 0.19 -0.55 8.40 8.20 2q43A12 ASP 91 HA 0.00 0.25 0.87 -0.75 4.63 4.99 2q43A12 ASP 91 HB2 -0.77 -0.03 0.03 -0.04 2.71 1.91 2q43A12 ASP 91 HB3 -0.41 -0.17 0.18 -0.04 2.70 2.25 2q43A12 MET 92 H 0.06 -0.20 0.27 -0.55 8.47 8.06 2q43A12 MET 92 HA 0.14 0.27 0.79 -0.75 4.52 4.96 2q43A12 MET 92 HB2 0.09 -0.15 -0.12 -0.04 2.15 1.93 2q43A12 MET 92 HB3 0.10 0.00 -0.04 -0.04 2.03 2.05 2q43A12 MET 92 HG2 0.16 0.16 -0.33 -0.04 2.63 2.58 2q43A12 MET 92 HG3 0.12 0.08 -0.73 -0.04 2.56 1.99 2q43A12 MET 92 HE3 0.12 0.05 -0.58 -0.04 2.10 1.64 2q43A12 ASP 93 H 0.20 -0.19 0.24 -0.55 8.40 8.11 2q43A12 ASP 93 HA 0.08 0.38 0.79 -0.75 4.63 5.12 2q43A12 ASP 93 HB2 -0.01 0.14 0.13 -0.04 2.71 2.93 2q43A12 ASP 93 HB3 0.01 -0.16 0.03 -0.04 2.70 2.54 2q43A12 ALA 94 H -0.16 0.84 0.33 -0.55 8.40 8.86 2q43A12 ALA 94 HA -0.49 -0.03 0.74 -0.75 4.34 3.81 2q43A12 ALA 94 HB3 -0.66 0.02 -0.14 -0.04 1.41 0.59 2q43A12 LEU 95 H -0.27 0.66 0.38 -0.55 8.37 8.59 2q43A12 LEU 95 HA -0.12 0.19 0.92 -0.75 4.35 4.59 2q43A12 LEU 95 HB2 -0.22 -0.00 0.19 -0.04 1.64 1.56 2q43A12 LEU 95 HB3 -0.13 0.13 0.02 -0.04 1.64 1.62 2q43A12 LEU 95 HG -0.31 -0.13 -0.19 -0.04 1.64 0.96 2q43A12 LEU 95 HD13 -0.75 -0.03 -0.05 -0.04 0.93 0.06 2q43A12 LEU 95 HD23 -0.05 0.04 0.01 -0.04 0.89 0.85 2q43A12 PRO 96 HA -0.05 0.27 0.71 -0.51 4.44 4.86 2q43A12 PRO 96 HB2 -0.02 0.07 0.24 -0.04 2.28 2.54 2q43A12 PRO 96 HB3 -0.03 -0.03 0.12 -0.04 2.02 2.04 2q43A12 PRO 96 HG2 -0.01 0.06 0.10 -0.04 2.03 2.15 2q43A12 PRO 96 HG3 -0.01 0.03 0.10 -0.04 2.03 2.11 2q43A12 PRO 96 HD2 -0.03 0.07 0.18 -0.04 3.68 3.87 2q43A12 PRO 96 HD3 -0.04 0.06 0.18 -0.04 3.65 3.81 2q43A12 ILE 97 H -0.06 0.37 -0.18 -0.55 8.25 7.83 2q43A12 ILE 97 HA -0.01 0.16 0.77 -0.75 4.18 4.34 2q43A12 ILE 97 HB -0.05 -0.13 -0.15 -0.04 1.89 1.53 2q43A12 ILE 97 HG12 0.01 0.05 -0.02 -0.04 1.49 1.49 2q43A12 ILE 97 HG13 -0.00 0.01 -0.50 -0.04 1.21 0.68 2q43A12 ILE 97 HG23 0.01 0.00 -0.29 -0.04 0.93 0.61 2q43A12 ILE 97 HD13 0.04 0.01 -0.07 -0.04 0.88 0.81 2q43A12 GLN 98 H -0.00 0.16 0.06 -0.55 8.47 8.15 2q43A12 GLN 98 HA -0.01 -0.02 0.57 -0.75 4.36 4.15 2q43A12 GLN 98 HB2 0.00 -0.03 0.11 -0.04 2.15 2.19 2q43A12 GLN 98 HB3 0.01 0.00 0.12 -0.04 2.02 2.11 2q43A12 GLN 98 HG2 0.01 -0.01 -0.04 -0.04 2.40 2.32 2q43A12 GLN 98 HG3 0.02 0.16 -0.46 -0.04 2.39 2.07 2q43A12 GLN 98 HE21 0.01 -0.02 0.06 -0.04 6.97 6.99 2q43A12 GLN 98 HE22 0.03 0.68 0.10 -0.04 7.69 8.46 2q43A12 GLU 99 H 0.01 0.16 0.15 -0.55 8.60 8.37 2q43A12 GLU 99 HA 0.06 0.06 0.53 -0.75 4.29 4.20 2q43A12 GLU 99 HB2 0.05 0.01 0.21 -0.04 2.09 2.31 2q43A12 GLU 99 HB3 0.07 0.05 0.21 -0.04 1.99 2.28 2q43A12 GLU 99 HG2 0.21 0.17 0.01 -0.04 2.34 2.69 2q43A12 GLU 99 HG3 0.18 0.04 0.16 -0.04 2.34 2.67 2q43A12 GLY 100 H 0.07 0.67 0.34 -0.55 8.43 8.97 2q43A12 GLY 100 HA2 0.05 0.15 0.69 -0.51 4.01 4.39 2q43A12 GLY 100 HA3 0.04 -0.06 0.23 -0.51 4.01 3.72 2q43A12 VAL 101 H 0.12 0.09 0.03 -0.55 8.24 7.92 2q43A12 VAL 101 HA 0.05 0.06 0.51 -0.75 4.13 4.00 2q43A12 VAL 101 HB 0.24 -0.05 0.05 -0.04 2.12 2.31 2q43A12 VAL 101 HG13 -0.19 -0.01 -0.20 -0.04 0.97 0.52 2q43A12 VAL 101 HG23 0.01 0.08 -0.02 -0.04 0.95 0.98 2q43A12 GLU 102 H 0.09 0.17 0.16 -0.55 8.60 8.47 2q43A12 GLU 102 HA 0.17 0.19 0.88 -0.75 4.29 4.77 2q43A12 GLU 102 HB2 0.07 -0.03 0.20 -0.04 2.09 2.28 2q43A12 GLU 102 HB3 0.08 -0.01 0.03 -0.04 1.99 2.05 2q43A12 GLU 102 HG2 0.06 0.10 -0.09 -0.04 2.34 2.37 2q43A12 GLU 102 HG3 0.04 -0.03 0.01 -0.04 2.34 2.32 2q43A12 TRP 103 H 0.28 0.38 0.17 -0.55 7.97 8.26 2q43A12 TRP 103 HA -0.02 0.15 0.49 -0.75 4.62 4.48 2q43A12 TRP 103 HB2 0.01 -0.07 0.15 -0.04 3.23 3.28 2q43A12 TRP 103 HB3 0.01 0.17 -0.18 -0.04 3.23 3.18 2q43A12 TRP 103 HD1 0.06 0.10 -0.31 -0.04 7.22 7.03 2q43A12 TRP 103 HE1 0.24 0.05 -0.19 -0.04 10.20 10.26 2q43A12 TRP 103 HE3 0.11 0.02 -0.00 -0.04 7.59 7.67 2q43A12 TRP 103 HZ2 -0.53 0.03 -0.12 -0.04 7.44 6.79 2q43A12 TRP 103 HZ3 0.09 0.03 -0.03 -0.04 7.13 7.18 2q43A12 TRP 103 HH2 -0.15 0.00 -0.04 -0.04 7.19 6.95 2q43A12 GLU 104 H 0.13 0.16 0.14 -0.55 8.60 8.48 2q43A12 GLU 104 HA -0.29 0.12 0.36 -0.75 4.29 3.72 2q43A12 GLU 104 HB2 -0.14 0.00 0.13 -0.04 2.09 2.04 2q43A12 GLU 104 HB3 -0.33 -0.03 0.09 -0.04 1.99 1.67 2q43A12 GLU 104 HG2 -0.26 -0.01 0.01 -0.04 2.34 2.05 2q43A12 GLU 104 HG3 -1.22 0.03 -0.13 -0.04 2.34 0.97 2q43A12 HIS 105 H -1.85 -0.05 -0.41 -0.55 8.41 5.55 2q43A12 HIS 105 HA -0.60 0.33 0.90 -0.75 4.63 4.50 2q43A12 HIS 105 HB2 -2.98 -0.07 -0.02 -0.04 3.26 0.15 2q43A12 HIS 105 HB3 -0.69 0.04 0.11 -0.04 3.20 2.62 2q43A12 HIS 105 HD2 -0.16 -0.05 -0.07 -0.04 6.97 6.65 2q43A12 HIS 105 HE1 -0.12 0.02 -0.07 -0.04 7.75 7.54 2q43A12 LYS 106 H -0.84 0.27 -0.19 -0.55 8.42 7.11 2q43A12 LYS 106 HA 0.32 -0.07 0.38 -0.75 4.32 4.19 2q43A12 LYS 106 HB2 0.21 -0.11 0.17 -0.04 1.87 2.10 2q43A12 LYS 106 HB3 -0.08 0.05 0.12 -0.04 1.79 1.84 2q43A12 LYS 106 HG2 0.04 0.24 -0.05 -0.04 1.46 1.65 2q43A12 LYS 106 HG3 0.17 -0.10 0.11 -0.04 1.46 1.61 2q43A12 LYS 106 HD2 0.10 0.03 0.10 -0.04 1.69 1.88 2q43A12 LYS 106 HD3 0.02 -0.04 0.02 -0.04 1.68 1.65 2q43A12 LYS 106 HE2 0.03 -0.06 0.02 -0.04 2.99 2.94 2q43A12 LYS 106 HE3 0.07 0.16 -0.03 -0.04 2.99 3.15 2q43A12 SER 107 H 0.05 -0.04 0.23 -0.55 8.46 8.15 2q43A12 SER 107 HA -0.04 0.04 0.63 -0.75 4.49 4.36 2q43A12 SER 107 HB2 -0.06 -0.08 0.19 -0.04 3.95 3.96 2q43A12 SER 107 HB3 -0.12 0.07 0.33 -0.04 3.93 4.17 2q43A12 LYS 108 H -0.04 0.91 0.44 -0.55 8.42 9.18 2q43A12 LYS 108 HA -0.04 0.15 0.84 -0.75 4.32 4.52 2q43A12 LYS 108 HB2 -0.04 0.07 0.15 -0.04 1.87 2.02 2q43A12 LYS 108 HB3 -0.04 -0.09 0.23 -0.04 1.79 1.85 2q43A12 LYS 108 HG2 -0.07 -0.01 0.01 -0.04 1.46 1.35 2q43A12 LYS 108 HG3 -0.07 0.12 -0.08 -0.04 1.46 1.39 2q43A12 LYS 108 HD2 -0.05 -0.01 0.02 -0.04 1.69 1.60 2q43A12 LYS 108 HD3 -0.05 -0.06 0.04 -0.04 1.68 1.57 2q43A12 LYS 108 HE2 -0.09 -0.03 0.02 -0.04 2.99 2.85 2q43A12 LYS 108 HE3 -0.11 0.10 0.01 -0.04 2.99 2.95 2q43A12 ILE 109 H -0.04 0.14 -0.13 -0.55 8.25 7.68 2q43A12 ILE 109 HA -0.02 0.14 0.90 -0.75 4.18 4.43 2q43A12 ILE 109 HB -0.04 -0.02 0.20 -0.04 1.89 1.99 2q43A12 ILE 109 HG12 -0.03 0.12 0.14 -0.04 1.49 1.68 2q43A12 ILE 109 HG13 -0.03 0.01 0.02 -0.04 1.21 1.17 2q43A12 ILE 109 HG23 -0.03 0.03 -0.01 -0.04 0.93 0.88 2q43A12 ILE 109 HD13 -0.02 0.04 -0.14 -0.04 0.88 0.72 2q43A12 ALA 110 H -0.02 0.17 -0.01 -0.55 8.40 7.99 2q43A12 ALA 110 HA -0.01 0.01 0.34 -0.75 4.34 3.92 2q43A12 ALA 110 HB3 -0.01 0.01 0.07 -0.04 1.41 1.44 2q43A12 GLY 111 H -0.01 0.05 0.18 -0.55 8.43 8.10 2q43A12 GLY 111 HA2 -0.01 -0.08 0.17 -0.51 4.01 3.57 2q43A12 GLY 111 HA3 -0.02 0.09 0.34 -0.51 4.01 3.91 2q43A12 LYS 112 H -0.04 0.44 -0.10 -0.55 8.42 8.16 2q43A12 LYS 112 HA -0.07 0.12 0.98 -0.75 4.32 4.59 2q43A12 LYS 112 HB2 -0.07 0.12 0.03 -0.04 1.87 1.92 2q43A12 LYS 112 HB3 -0.11 -0.17 -0.09 -0.04 1.79 1.38 2q43A12 LYS 112 HG2 -0.06 -0.05 -0.13 -0.04 1.46 1.19 2q43A12 LYS 112 HG3 -0.04 0.09 -0.41 -0.04 1.46 1.05 2q43A12 LYS 112 HD2 -0.04 0.09 -0.03 -0.04 1.69 1.66 2q43A12 LYS 112 HD3 -0.06 -0.13 -0.12 -0.04 1.68 1.33 2q43A12 LYS 112 HE2 -0.03 -0.09 -0.06 -0.04 2.99 2.78 2q43A12 LYS 112 HE3 -0.03 0.07 -0.07 -0.04 2.99 2.92 2q43A12 MET 113 H -0.14 0.49 0.38 -0.55 8.47 8.64 2q43A12 MET 113 HA -0.14 0.17 0.75 -0.75 4.52 4.54 2q43A12 MET 113 HB2 -0.03 0.12 -0.19 -0.04 2.15 2.01 2q43A12 MET 113 HB3 -0.06 -0.03 -0.12 -0.04 2.03 1.78 2q43A12 MET 113 HG2 -0.01 -0.18 -0.60 -0.04 2.63 1.79 2q43A12 MET 113 HG3 0.00 0.04 0.03 -0.04 2.56 2.59 2q43A12 MET 113 HE3 0.26 -0.03 -0.13 -0.04 2.10 2.16 2q43A12 HIS 114 H -0.14 0.37 0.15 -0.55 8.41 8.25 2q43A12 HIS 114 HA -0.18 0.00 0.77 -0.75 4.63 4.46 2q43A12 HIS 114 HB2 -0.08 0.22 0.24 -0.04 3.26 3.60 2q43A12 HIS 114 HB3 0.02 -0.22 0.21 -0.04 3.20 3.17 2q43A12 HIS 114 HD2 -0.05 0.32 -0.12 -0.04 6.97 7.08 2q43A12 HIS 114 HE1 0.05 0.18 -0.59 -0.04 7.75 7.34 2q43A12 ALA 115 H -0.24 0.42 -0.01 -0.55 8.40 8.02 2q43A12 ALA 115 HA -0.19 0.26 0.56 -0.75 4.34 4.22 2q43A12 ALA 115 HB3 -0.18 0.03 -0.06 -0.04 1.41 1.15 2q43A12 CYS 116 H -0.46 -0.04 -0.17 -0.55 8.50 7.28 2q43A12 CYS 116 HA -0.44 0.23 0.88 -0.75 4.58 4.49 2q43A12 CYS 116 HB2 -0.43 -0.03 -0.03 -0.04 2.97 2.44 2q43A12 CYS 116 HB3 -0.30 -0.03 0.02 -0.04 2.97 2.62 2q43A12 GLY 117 H -0.48 0.13 -0.26 -0.55 8.43 7.27 2q43A12 GLY 117 HA2 0.03 0.10 0.26 -0.51 4.01 3.89 2q43A12 GLY 117 HA3 -0.12 0.19 0.39 -0.51 4.01 3.97 2q43A12 HIS 118 H -0.08 0.08 -0.13 -0.55 8.41 7.73 2q43A12 HIS 118 HA -0.35 0.09 0.29 -0.75 4.63 3.90 2q43A12 HIS 118 HB2 0.24 0.13 -0.16 -0.04 3.26 3.42 2q43A12 HIS 118 HB3 0.08 -0.05 -0.33 -0.04 3.20 2.86 2q43A12 HIS 118 HD2 -0.22 0.10 -0.26 -0.04 6.97 6.55 2q43A12 HIS 118 HE1 0.08 -0.11 0.01 -0.04 7.75 7.68 2q43A12 ASP 119 H -0.48 -0.01 -0.40 -0.55 8.40 6.96 2q43A12 ASP 119 HA -0.35 0.15 0.43 -0.75 4.63 4.11 2q43A12 ASP 119 HB2 -0.15 0.17 0.01 -0.04 2.71 2.70 2q43A12 ASP 119 HB3 -0.93 0.03 -0.08 -0.04 2.70 1.69 2q43A12 GLY 120 H -0.10 0.09 -0.22 -0.55 8.43 7.65 2q43A12 GLY 120 HA2 -0.01 0.06 0.39 -0.51 4.01 3.93 2q43A12 GLY 120 HA3 0.01 0.04 0.28 -0.51 4.01 3.83 2q43A12 HIS 121 H -0.15 0.36 -0.11 -0.55 8.41 7.96 2q43A12 HIS 121 HA 0.01 0.05 0.45 -0.75 4.63 4.39 2q43A12 HIS 121 HB2 -0.03 0.07 0.21 -0.04 3.26 3.47 2q43A12 HIS 121 HB3 -0.03 -0.02 0.21 -0.04 3.20 3.32 2q43A12 HIS 121 HD2 -0.04 -0.04 -0.08 -0.04 6.97 6.76 2q43A12 HIS 121 HE1 -0.97 0.04 0.08 -0.04 7.75 6.86 2q43A12 VAL 122 H 0.04 0.49 -0.17 -0.55 8.24 8.05 2q43A12 VAL 122 HA 0.11 0.04 0.38 -0.75 4.13 3.90 2q43A12 VAL 122 HB -0.01 0.04 0.20 -0.04 2.12 2.31 2q43A12 VAL 122 HG13 0.09 -0.01 -0.20 -0.04 0.97 0.81 2q43A12 VAL 122 HG23 0.09 0.05 0.14 -0.04 0.95 1.19 2q43A12 THR 123 H -0.02 0.51 -0.06 -0.55 8.28 8.16 2q43A12 THR 123 HA -0.12 0.05 0.29 -0.75 4.39 3.85 2q43A12 THR 123 HB -0.07 0.02 0.09 -0.04 4.32 4.31 2q43A12 THR 123 HG23 -0.27 0.08 0.08 -0.04 1.22 1.07 2q43A12 MET 124 H 0.05 0.54 -0.27 -0.55 8.47 8.24 2q43A12 MET 124 HA 0.07 0.01 0.38 -0.75 4.52 4.23 2q43A12 MET 124 HB2 0.14 0.11 0.14 -0.04 2.15 2.49 2q43A12 MET 124 HB3 0.16 -0.08 -0.09 -0.04 2.03 1.98 2q43A12 MET 124 HG2 0.07 -0.05 0.07 -0.04 2.63 2.68 2q43A12 MET 124 HG3 0.08 0.48 0.13 -0.04 2.56 3.20 2q43A12 MET 124 HE3 0.19 -0.05 -0.27 -0.04 2.10 1.92 2q43A12 LEU 125 H 0.04 0.59 -0.09 -0.55 8.37 8.36 2q43A12 LEU 125 HA -0.22 -0.03 0.31 -0.75 4.35 3.66 2q43A12 LEU 125 HB2 -0.30 -0.00 0.03 -0.04 1.64 1.33 2q43A12 LEU 125 HB3 -0.16 0.18 0.09 -0.04 1.64 1.70 2q43A12 LEU 125 HG -0.36 0.01 -0.25 -0.04 1.64 0.99 2q43A12 LEU 125 HD13 -0.40 -0.03 -0.06 -0.04 0.93 0.41 2q43A12 LEU 125 HD23 -1.07 -0.03 -0.23 -0.04 0.89 -0.49 2q43A12 LEU 126 H 0.09 0.40 -0.50 -0.55 8.37 7.80 2q43A12 LEU 126 HA 0.25 0.03 0.47 -0.75 4.35 4.35 2q43A12 LEU 126 HB2 -0.11 0.21 0.15 -0.04 1.64 1.84 2q43A12 LEU 126 HB3 0.09 -0.04 -0.01 -0.04 1.64 1.64 2q43A12 LEU 126 HG 0.26 0.08 -0.05 -0.04 1.64 1.88 2q43A12 LEU 126 HD13 -0.14 -0.03 -0.09 -0.04 0.93 0.63 2q43A12 LEU 126 HD23 0.09 -0.01 -0.07 -0.04 0.89 0.87 2q43A12 GLY 127 H 0.12 0.45 -0.01 -0.55 8.43 8.45 2q43A12 GLY 127 HA2 0.50 0.02 0.41 -0.51 4.01 4.43 2q43A12 GLY 127 HA3 0.19 0.00 0.36 -0.51 4.01 4.04 2q43A12 ALA 128 H 0.13 0.52 -0.14 -0.55 8.40 8.36 2q43A12 ALA 128 HA 0.12 0.05 0.47 -0.75 4.34 4.22 2q43A12 ALA 128 HB3 0.09 0.03 0.04 -0.04 1.41 1.52 2q43A12 ALA 129 H 0.12 0.60 -0.12 -0.55 8.40 8.45 2q43A12 ALA 129 HA 0.11 -0.00 0.30 -0.75 4.34 4.00 2q43A12 ALA 129 HB3 0.19 0.04 0.07 -0.04 1.41 1.66 2q43A12 LYS 130 H 0.20 0.60 -0.30 -0.55 8.42 8.35 2q43A12 LYS 130 HA 0.01 0.08 0.45 -0.75 4.32 4.12 2q43A12 LYS 130 HB2 -0.28 0.02 0.07 -0.04 1.87 1.64 2q43A12 LYS 130 HB3 -0.02 0.08 0.13 -0.04 1.79 1.94 2q43A12 LYS 130 HG2 -0.05 -0.03 -0.24 -0.04 1.46 1.09 2q43A12 LYS 130 HG3 -0.20 0.02 -0.00 -0.04 1.46 1.24 2q43A12 LYS 130 HD2 -0.69 -0.03 -0.03 -0.04 1.69 0.89 2q43A12 LYS 130 HD3 -0.43 -0.04 -0.07 -0.04 1.68 1.10 2q43A12 LYS 130 HE2 -0.82 0.05 -0.03 -0.04 2.99 2.14 2q43A12 LYS 130 HE3 -2.46 0.02 -0.04 -0.04 2.99 0.47 2q43A12 ILE 131 H 0.11 0.51 -0.09 -0.55 8.25 8.24 2q43A12 ILE 131 HA 0.31 -0.01 0.36 -0.75 4.18 4.08 2q43A12 ILE 131 HB 0.14 0.09 0.15 -0.04 1.89 2.23 2q43A12 ILE 131 HG12 0.20 -0.08 -0.02 -0.04 1.49 1.55 2q43A12 ILE 131 HG13 0.02 0.18 0.09 -0.04 1.21 1.45 2q43A12 ILE 131 HG23 0.26 -0.03 -0.10 -0.04 0.93 1.01 2q43A12 ILE 131 HD13 0.05 -0.04 -0.14 -0.04 0.88 0.72 2q43A12 LEU 132 H 0.10 0.75 -0.25 -0.55 8.37 8.42 2q43A12 LEU 132 HA 0.09 0.01 0.47 -0.75 4.35 4.16 2q43A12 LEU 132 HB2 0.09 0.08 0.01 -0.04 1.64 1.79 2q43A12 LEU 132 HB3 0.07 -0.03 -0.07 -0.04 1.64 1.57 2q43A12 LEU 132 HG 0.09 0.13 -0.07 -0.04 1.64 1.75 2q43A12 LEU 132 HD13 0.06 -0.02 -0.21 -0.04 0.93 0.72 2q43A12 LEU 132 HD23 0.09 0.00 -0.03 -0.04 0.89 0.91 2q43A12 HIS 133 H 0.13 0.56 -0.16 -0.55 8.41 8.39 2q43A12 HIS 133 HA -0.05 -0.01 0.48 -0.75 4.63 4.30 2q43A12 HIS 133 HB2 0.00 0.04 0.11 -0.04 3.26 3.39 2q43A12 HIS 133 HB3 -0.04 0.06 0.17 -0.04 3.20 3.34 2q43A12 HIS 133 HD2 -0.00 -0.02 0.06 -0.04 6.97 6.97 2q43A12 HIS 133 HE1 -0.04 -0.09 0.09 -0.04 7.75 7.67 2q43A12 GLU 134 H -0.08 0.36 -0.38 -0.55 8.60 7.96 2q43A12 GLU 134 HA -0.21 0.05 0.44 -0.75 4.29 3.81 2q43A12 GLU 134 HB2 -0.60 0.13 0.08 -0.04 2.09 1.67 2q43A12 GLU 134 HB3 -0.53 -0.09 0.04 -0.04 1.99 1.37 2q43A12 GLU 134 HG2 0.02 0.26 0.05 -0.04 2.34 2.62 2q43A12 GLU 134 HG3 0.13 -0.10 -0.04 -0.04 2.34 2.29 2q43A12 HIS 135 H -0.24 0.31 -0.37 -0.55 8.41 7.56 2q43A12 HIS 135 HA -0.30 0.17 0.90 -0.75 4.63 4.66 2q43A12 HIS 135 HB2 -0.03 0.05 0.09 -0.04 3.26 3.33 2q43A12 HIS 135 HB3 -0.04 -0.07 0.14 -0.04 3.20 3.20 2q43A12 HIS 135 HD2 0.03 0.03 -0.01 -0.04 6.97 6.98 2q43A12 HIS 135 HE1 -0.14 -0.03 -0.08 -0.04 7.75 7.46 2q43A12 ARG 136 H -0.32 0.39 -0.39 -0.55 8.46 7.59 2q43A12 ARG 136 HA -0.11 0.05 0.27 -0.75 4.34 3.80 2q43A12 ARG 136 HB2 -0.24 -0.09 0.07 -0.04 1.90 1.60 2q43A12 ARG 136 HB3 -0.28 0.09 0.17 -0.04 1.80 1.74 2q43A12 ARG 136 HG2 -0.63 0.06 0.08 -0.04 1.67 1.13 2q43A12 ARG 136 HG3 -1.02 -0.06 -0.07 -0.04 1.67 0.48 2q43A12 ARG 136 HD2 -0.35 -0.07 0.08 -0.04 3.22 2.84 2q43A12 ARG 136 HD3 -1.02 0.14 0.17 -0.04 3.22 2.46 2q43A12 HIS 137 H -0.41 0.14 -0.19 -0.55 8.41 7.41 2q43A12 HIS 137 HA -0.01 0.15 0.51 -0.75 4.63 4.52 2q43A12 HIS 137 HB2 -0.09 -0.01 0.00 -0.04 3.26 3.13 2q43A12 HIS 137 HB3 0.02 0.00 0.12 -0.04 3.20 3.31 2q43A12 HIS 137 HD2 -0.11 0.01 0.01 -0.04 6.97 6.84 2q43A12 HIS 137 HE1 -0.03 0.01 0.00 -0.04 7.75 7.68 2q43A12 HIS 138 H -0.05 0.38 -0.38 -0.55 8.41 7.81 2q43A12 HIS 138 HA 0.03 0.14 0.71 -0.75 4.63 4.77 2q43A12 HIS 138 HB2 0.03 0.15 0.05 -0.04 3.26 3.46 2q43A12 HIS 138 HB3 0.01 -0.06 0.08 -0.04 3.20 3.18 2q43A12 HIS 138 HD2 0.07 0.10 -0.47 -0.04 6.97 6.62 2q43A12 HIS 138 HE1 0.03 -0.02 -0.01 -0.04 7.75 7.70 2q43A12 LEU 139 H 0.06 0.25 -0.18 -0.55 8.37 7.95 2q43A12 LEU 139 HA 0.06 -0.02 0.41 -0.75 4.35 4.05 2q43A12 LEU 139 HB2 0.03 0.06 0.21 -0.04 1.64 1.90 2q43A12 LEU 139 HB3 0.05 -0.04 -0.07 -0.04 1.64 1.54 2q43A12 LEU 139 HG 0.02 0.06 0.02 -0.04 1.64 1.70 2q43A12 LEU 139 HD13 0.04 -0.02 -0.09 -0.04 0.93 0.82 2q43A12 LEU 139 HD23 0.07 -0.02 -0.11 -0.04 0.89 0.79 2q43A12 GLN 140 H 0.03 0.11 0.07 -0.55 8.47 8.14 2q43A12 GLN 140 HA 0.01 0.14 0.59 -0.75 4.36 4.36 2q43A12 GLN 140 HB2 0.00 -0.04 0.05 -0.04 2.15 2.12 2q43A12 GLN 140 HB3 -0.01 0.01 0.15 -0.04 2.02 2.13 2q43A12 GLN 140 HG2 0.01 0.00 -0.04 -0.04 2.40 2.33 2q43A12 GLN 140 HG3 0.02 0.14 -0.01 -0.04 2.39 2.50 2q43A12 GLN 140 HE21 -0.02 -0.01 -0.06 -0.04 6.97 6.83 2q43A12 GLN 140 HE22 -0.02 0.01 0.00 -0.04 7.69 7.64 2q43A12 GLY 141 H 0.01 0.47 -0.30 -0.55 8.43 8.06 2q43A12 GLY 141 HA2 -0.09 0.18 0.12 -0.51 4.01 3.71 2q43A12 GLY 141 HA3 -0.04 0.18 0.63 -0.51 4.01 4.27 2q43A12 THR 142 H -0.07 0.77 0.32 -0.55 8.28 8.76 2q43A12 THR 142 HA 0.10 0.11 1.01 -0.75 4.39 4.84 2q43A12 THR 142 HB 0.20 0.03 -0.10 -0.04 4.32 4.40 2q43A12 THR 142 HG23 0.37 0.01 -0.32 -0.04 1.22 1.23 2q43A12 VAL 143 H 0.15 0.75 0.37 -0.55 8.24 8.95 2q43A12 VAL 143 HA 0.15 0.22 0.91 -0.75 4.13 4.66 2q43A12 VAL 143 HB 0.10 -0.00 0.14 -0.04 2.12 2.32 2q43A12 VAL 143 HG13 0.06 -0.02 -0.16 -0.04 0.97 0.81 2q43A12 VAL 143 HG23 0.09 -0.00 -0.08 -0.04 0.95 0.92 2q43A12 VAL 144 H 0.14 0.86 0.45 -0.55 8.24 9.14 2q43A12 VAL 144 HA 0.15 0.25 0.92 -0.75 4.13 4.70 2q43A12 VAL 144 HB 0.10 -0.10 0.05 -0.04 2.12 2.12 2q43A12 VAL 144 HG13 0.07 0.01 -0.17 -0.04 0.97 0.84 2q43A12 VAL 144 HG23 0.25 0.03 -0.18 -0.04 0.95 1.01 2q43A12 LEU 145 H -0.02 0.66 0.18 -0.55 8.37 8.65 2q43A12 LEU 145 HA -0.13 0.15 0.83 -0.75 4.35 4.46 2q43A12 LEU 145 HB2 0.20 -0.15 0.16 -0.04 1.64 1.81 2q43A12 LEU 145 HB3 -0.14 -0.00 -0.05 -0.04 1.64 1.41 2q43A12 LEU 145 HG 0.06 0.08 -0.24 -0.04 1.64 1.51 2q43A12 LEU 145 HD13 0.17 -0.00 -0.12 -0.04 0.93 0.94 2q43A12 LEU 145 HD23 -0.02 0.01 -0.19 -0.04 0.89 0.66 2q43A12 ILE 146 H -0.18 0.81 0.42 -0.55 8.25 8.76 2q43A12 ILE 146 HA 0.03 0.19 0.96 -0.75 4.18 4.61 2q43A12 ILE 146 HB -0.10 -0.05 0.16 -0.04 1.89 1.85 2q43A12 ILE 146 HG12 0.03 0.06 -0.16 -0.04 1.49 1.38 2q43A12 ILE 146 HG13 -0.05 0.05 -0.20 -0.04 1.21 0.96 2q43A12 ILE 146 HG23 0.17 -0.03 -0.20 -0.04 0.93 0.84 2q43A12 ILE 146 HD13 -0.08 0.00 -0.14 -0.04 0.88 0.62 2q43A12 PHE 147 H 0.28 0.73 0.34 -0.55 8.34 9.14 2q43A12 PHE 147 HA 0.02 0.04 0.71 -0.75 4.62 4.63 2q43A12 PHE 147 HB2 -0.01 0.07 0.28 -0.04 3.15 3.46 2q43A12 PHE 147 HB3 -0.00 -0.06 -0.01 -0.04 3.06 2.94 2q43A12 PHE 147 HD2 -0.03 0.08 -0.08 -0.04 7.28 7.21 2q43A12 PHE 147 HE2 -0.04 0.03 -0.11 -0.04 7.38 7.22 2q43A12 PHE 147 HZ -0.02 0.02 -0.20 -0.04 7.32 7.08 2q43A12 GLN 148 H 0.09 0.48 0.06 -0.55 8.47 8.56 2q43A12 GLN 148 HA 0.14 0.21 0.69 -0.75 4.36 4.65 2q43A12 GLN 148 HB2 0.24 0.05 -0.04 -0.04 2.15 2.35 2q43A12 GLN 148 HB3 0.14 0.06 0.20 -0.04 2.02 2.38 2q43A12 GLN 148 HG2 0.08 0.22 -0.32 -0.04 2.40 2.33 2q43A12 GLN 148 HG3 0.14 0.06 -0.24 -0.04 2.39 2.30 2q43A12 GLN 148 HE21 0.08 -0.11 -0.11 -0.04 6.97 6.79 2q43A12 GLN 148 HE22 0.03 0.22 -0.28 -0.04 7.69 7.62 2q43A12 PRO 149 HA 0.01 -0.01 0.61 -0.51 4.44 4.54 2q43A12 PRO 149 HB2 -0.11 -0.13 0.15 -0.04 2.28 2.15 2q43A12 PRO 149 HB3 0.07 0.09 0.03 -0.04 2.02 2.16 2q43A12 PRO 149 HG2 0.06 -0.02 0.08 -0.04 2.03 2.12 2q43A12 PRO 149 HG3 0.15 0.23 0.21 -0.04 2.03 2.58 2q43A12 PRO 149 HD2 0.11 0.13 0.21 -0.04 3.68 4.08 2q43A12 PRO 149 HD3 0.12 0.31 0.27 -0.04 3.65 4.31 2q43A12 ALA 150 H -0.15 0.06 0.22 -0.55 8.40 7.99 2q43A12 ALA 150 HA -0.16 -0.05 0.48 -0.75 4.34 3.85 2q43A12 ALA 150 HB3 -0.87 0.05 -0.02 -0.04 1.41 0.53 2q43A12 GLU 151 H 0.03 0.05 -0.02 -0.55 8.60 8.11 2q43A12 GLU 151 HA 0.03 0.07 0.57 -0.75 4.29 4.21 2q43A12 GLU 151 HB2 0.02 0.09 0.07 -0.04 2.09 2.23 2q43A12 GLU 151 HB3 0.15 -0.02 0.14 -0.04 1.99 2.21 2q43A12 GLU 151 HG2 0.09 -0.09 0.03 -0.04 2.34 2.33 2q43A12 GLU 151 HG3 0.08 0.09 -0.02 -0.04 2.34 2.44 2q43A12 GLU 152 H 0.10 0.02 -0.00 -0.55 8.60 8.16 2q43A12 GLU 152 HA 0.10 0.14 0.27 -0.75 4.29 4.04 2q43A12 GLU 152 HB2 0.02 -0.08 0.10 -0.04 2.09 2.08 2q43A12 GLU 152 HB3 0.04 0.13 0.02 -0.04 1.99 2.14 2q43A12 GLU 152 HG2 0.11 -0.15 0.03 -0.04 2.34 2.29 2q43A12 GLU 152 HG3 -0.06 0.17 -0.08 -0.04 2.34 2.33 2q43A12 GLY 153 H -0.00 -0.04 -0.29 -0.55 8.43 7.55 2q43A12 GLY 153 HA2 0.03 0.22 0.58 -0.51 4.01 4.33 2q43A12 GLY 153 HA3 0.03 0.00 0.31 -0.51 4.01 3.84 2q43A12 LEU 154 H 0.03 0.45 -0.62 -0.55 8.37 7.67 2q43A12 LEU 154 HA 0.02 -0.07 0.38 -0.75 4.35 3.93 2q43A12 LEU 154 HB2 0.03 0.19 -0.12 -0.04 1.64 1.70 2q43A12 LEU 154 HB3 -0.01 -0.04 0.17 -0.04 1.64 1.73 2q43A12 LEU 154 HG 0.01 0.14 -0.20 -0.04 1.64 1.55 2q43A12 LEU 154 HD13 -0.04 0.01 -0.07 -0.04 0.93 0.79 2q43A12 LEU 154 HD23 -0.03 0.02 -0.02 -0.04 0.89 0.82 2q43A12 SER 155 H 0.04 0.05 -0.31 -0.55 8.46 7.70 2q43A12 SER 155 HA 0.10 0.29 1.08 -0.75 4.49 5.21 2q43A12 SER 155 HB2 0.11 0.02 0.09 -0.04 3.95 4.13 2q43A12 SER 155 HB3 0.10 0.19 -0.07 -0.04 3.93 4.11 2q43A12 GLY 156 H 0.00 0.30 0.11 -0.55 8.43 8.29 2q43A12 GLY 156 HA2 0.11 0.06 0.33 -0.51 4.01 4.01 2q43A12 GLY 156 HA3 -0.04 0.36 0.22 -0.51 4.01 4.05 2q43A12 ALA 157 H -0.01 0.08 -0.14 -0.55 8.40 7.78 2q43A12 ALA 157 HA -0.26 0.10 0.37 -0.75 4.34 3.79 2q43A12 ALA 157 HB3 -0.40 0.01 -0.03 -0.04 1.41 0.95 2q43A12 LYS 158 H 0.02 0.10 -0.28 -0.55 8.42 7.71 2q43A12 LYS 158 HA -0.24 0.10 0.36 -0.75 4.32 3.78 2q43A12 LYS 158 HB2 -0.58 0.00 0.09 -0.04 1.87 1.34 2q43A12 LYS 158 HB3 -0.20 0.09 0.06 -0.04 1.79 1.70 2q43A12 LYS 158 HG2 -0.32 -0.00 -0.08 -0.04 1.46 1.02 2q43A12 LYS 158 HG3 -0.58 -0.00 0.06 -0.04 1.46 0.91 2q43A12 LYS 158 HD2 -1.88 0.02 0.04 -0.04 1.69 -0.17 2q43A12 LYS 158 HD3 -0.44 0.03 0.03 -0.04 1.68 1.25 2q43A12 LYS 158 HE2 -0.28 -0.02 0.01 -0.04 2.99 2.66 2q43A12 LYS 158 HE3 -0.48 -0.02 0.02 -0.04 2.99 2.47 2q43A12 LYS 159 H -0.01 0.39 -0.29 -0.55 8.42 7.96 2q43A12 LYS 159 HA -0.04 0.06 0.41 -0.75 4.32 4.00 2q43A12 LYS 159 HB2 0.11 0.14 0.13 -0.04 1.87 2.21 2q43A12 LYS 159 HB3 0.14 0.03 0.14 -0.04 1.79 2.06 2q43A12 LYS 159 HG2 0.03 -0.05 -0.02 -0.04 1.46 1.38 2q43A12 LYS 159 HG3 0.03 -0.07 -0.10 -0.04 1.46 1.28 2q43A12 LYS 159 HD2 -0.03 0.02 0.08 -0.04 1.69 1.71 2q43A12 LYS 159 HD3 -0.04 0.03 0.02 -0.04 1.68 1.65 2q43A12 LYS 159 HE2 -0.14 -0.02 -0.02 -0.04 2.99 2.77 2q43A12 LYS 159 HE3 -0.06 -0.05 -0.01 -0.04 2.99 2.83 2q43A12 MET 160 H -0.01 0.60 -0.15 -0.55 8.47 8.37 2q43A12 MET 160 HA 0.04 -0.01 0.38 -0.75 4.52 4.18 2q43A12 MET 160 HB2 0.01 0.09 0.10 -0.04 2.15 2.31 2q43A12 MET 160 HB3 0.11 -0.03 -0.09 -0.04 2.03 1.98 2q43A12 MET 160 HG2 0.10 -0.06 -0.15 -0.04 2.63 2.47 2q43A12 MET 160 HG3 0.08 0.20 0.03 -0.04 2.56 2.84 2q43A12 MET 160 HE3 0.14 0.04 -0.15 -0.04 2.10 2.08 2q43A12 ARG 161 H -0.11 0.65 -0.15 -0.55 8.46 8.30 2q43A12 ARG 161 HA 0.01 -0.12 0.32 -0.75 4.34 3.80 2q43A12 ARG 161 HB2 -0.19 0.03 0.03 -0.04 1.90 1.73 2q43A12 ARG 161 HB3 -0.14 0.11 0.11 -0.04 1.80 1.83 2q43A12 ARG 161 HG2 -0.04 -0.02 -0.11 -0.04 1.67 1.46 2q43A12 ARG 161 HG3 -0.00 -0.06 0.02 -0.04 1.67 1.59 2q43A12 ARG 161 HD2 -0.03 -0.02 0.03 -0.04 3.22 3.17 2q43A12 ARG 161 HD3 -0.08 0.30 0.06 -0.04 3.22 3.47 2q43A12 GLU 162 H -0.07 0.53 -0.30 -0.55 8.60 8.21 2q43A12 GLU 162 HA -0.05 0.02 0.42 -0.75 4.29 3.93 2q43A12 GLU 162 HB2 -0.08 0.03 0.14 -0.04 2.09 2.14 2q43A12 GLU 162 HB3 -0.04 0.18 0.14 -0.04 1.99 2.22 2q43A12 GLU 162 HG2 -0.03 -0.00 -0.05 -0.04 2.34 2.21 2q43A12 GLU 162 HG3 -0.05 -0.03 0.08 -0.04 2.34 2.30 2q43A12 GLU 163 H -0.01 0.35 -0.48 -0.55 8.60 7.92 2q43A12 GLU 163 HA -0.00 0.14 0.71 -0.75 4.29 4.39 2q43A12 GLU 163 HB2 0.03 -0.01 0.13 -0.04 2.09 2.19 2q43A12 GLU 163 HB3 0.01 -0.03 0.18 -0.04 1.99 2.11 2q43A12 GLU 163 HG2 -0.01 -0.01 -0.12 -0.04 2.34 2.15 2q43A12 GLU 163 HG3 0.00 0.47 0.16 -0.04 2.34 2.94 2q43A12 GLY 164 H 0.01 0.45 -0.45 -0.55 8.43 7.89 2q43A12 GLY 164 HA2 0.02 0.01 0.28 -0.51 4.01 3.81 2q43A12 GLY 164 HA3 0.02 0.13 0.46 -0.51 4.01 4.10 2q43A12 ALA 165 H 0.05 0.38 -0.18 -0.55 8.40 8.11 2q43A12 ALA 165 HA 0.08 0.11 0.25 -0.75 4.34 4.03 2q43A12 ALA 165 HB3 0.14 -0.02 -0.16 -0.04 1.41 1.33 2q43A12 LEU 166 H 0.07 0.04 -0.46 -0.55 8.37 7.47 2q43A12 LEU 166 HA 0.07 0.24 0.75 -0.75 4.35 4.66 2q43A12 LEU 166 HB2 0.06 0.03 -0.03 -0.04 1.64 1.66 2q43A12 LEU 166 HB3 0.08 0.06 0.05 -0.04 1.64 1.79 2q43A12 LEU 166 HG 0.17 -0.11 -0.16 -0.04 1.64 1.50 2q43A12 LEU 166 HD13 0.17 0.01 -0.04 -0.04 0.93 1.03 2q43A12 LEU 166 HD23 0.31 0.03 -0.33 -0.04 0.89 0.86 2q43A12 LYS 167 H 0.02 0.45 -0.32 -0.55 8.42 8.02 2q43A12 LYS 167 HA 0.02 -0.02 0.41 -0.75 4.32 3.97 2q43A12 LYS 167 HB2 0.00 -0.04 0.10 -0.04 1.87 1.89 2q43A12 LYS 167 HB3 -0.02 0.10 0.10 -0.04 1.79 1.93 2q43A12 LYS 167 HG2 -0.01 0.03 -0.31 -0.04 1.46 1.13 2q43A12 LYS 167 HG3 0.01 -0.06 0.00 -0.04 1.46 1.37 2q43A12 LYS 167 HD2 0.00 -0.02 -0.00 -0.04 1.69 1.63 2q43A12 LYS 167 HD3 -0.01 0.03 -0.03 -0.04 1.68 1.63 2q43A12 LYS 167 HE2 0.01 0.01 -0.05 -0.04 2.99 2.92 2q43A12 LYS 167 HE3 0.01 -0.03 -0.02 -0.04 2.99 2.92 2q43A12 ASN 168 H 0.04 0.10 0.21 -0.55 8.53 8.33 2q43A12 ASN 168 HA 0.09 0.00 0.33 -0.75 4.76 4.43 2q43A12 ASN 168 HB2 0.01 0.21 -0.13 -0.04 2.88 2.92 2q43A12 ASN 168 HB3 0.21 -0.05 0.20 -0.04 2.79 3.12 2q43A12 ASN 168 HD21 0.06 -0.02 0.01 -0.04 7.03 7.04 2q43A12 ASN 168 HD22 0.09 0.02 0.05 -0.04 7.74 7.86 2q43A12 VAL 169 H 0.07 0.26 -0.07 -0.55 8.24 7.95 2q43A12 VAL 169 HA 0.19 0.16 0.84 -0.75 4.13 4.57 2q43A12 VAL 169 HB 0.05 0.01 -0.02 -0.04 2.12 2.12 2q43A12 VAL 169 HG13 0.05 -0.11 -0.13 -0.04 0.97 0.74 2q43A12 VAL 169 HG23 0.04 0.01 -0.36 -0.04 0.95 0.60 2q43A12 GLU 170 H 0.17 0.77 0.39 -0.55 8.60 9.39 2q43A12 GLU 170 HA 0.12 0.07 0.61 -0.75 4.29 4.33 2q43A12 GLU 170 HB2 0.18 -0.07 0.15 -0.04 2.09 2.32 2q43A12 GLU 170 HB3 0.25 0.06 0.12 -0.04 1.99 2.39 2q43A12 GLU 170 HG2 0.33 -0.04 0.02 -0.04 2.34 2.60 2q43A12 GLU 170 HG3 0.17 -0.02 0.12 -0.04 2.34 2.57 2q43A12 ALA 171 H 0.03 0.23 0.11 -0.55 8.40 8.22 2q43A12 ALA 171 HA -0.07 0.27 0.54 -0.75 4.34 4.33 2q43A12 ALA 171 HB3 -0.29 0.01 -0.07 -0.04 1.41 1.01 2q43A12 ILE 172 H -0.24 0.51 0.32 -0.55 8.25 8.30 2q43A12 ILE 172 HA 0.00 0.23 0.88 -0.75 4.18 4.54 2q43A12 ILE 172 HB -0.16 0.08 -0.20 -0.04 1.89 1.57 2q43A12 ILE 172 HG12 0.03 -0.05 -0.35 -0.04 1.49 1.07 2q43A12 ILE 172 HG13 -0.11 0.02 -0.19 -0.04 1.21 0.89 2q43A12 ILE 172 HG23 -0.19 -0.00 -0.15 -0.04 0.93 0.54 2q43A12 ILE 172 HD13 -0.99 -0.02 -0.17 -0.04 0.88 -0.35 2q43A12 PHE 173 H 0.26 0.62 0.29 -0.55 8.34 8.96 2q43A12 PHE 173 HA 0.20 0.25 1.15 -0.75 4.62 5.46 2q43A12 PHE 173 HB2 0.09 0.02 0.15 -0.04 3.15 3.37 2q43A12 PHE 173 HB3 0.11 0.01 0.01 -0.04 3.06 3.15 2q43A12 PHE 173 HD2 0.02 0.07 -0.08 -0.04 7.28 7.25 2q43A12 PHE 173 HE2 -0.30 0.04 -0.09 -0.04 7.38 6.99 2q43A12 PHE 173 HZ 0.00 -0.02 -0.05 -0.04 7.32 7.21 2q43A12 GLY 174 H 0.01 0.72 0.47 -0.55 8.43 9.08 2q43A12 GLY 174 HA2 0.02 0.23 1.06 -0.51 4.01 4.81 2q43A12 GLY 174 HA3 -0.43 -0.05 0.32 -0.51 4.01 3.34 2q43A12 ILE 175 H -0.19 0.34 0.28 -0.55 8.25 8.12 2q43A12 ILE 175 HA -0.42 0.24 1.01 -0.75 4.18 4.25 2q43A12 ILE 175 HB -0.30 -0.02 0.08 -0.04 1.89 1.60 2q43A12 ILE 175 HG12 -0.16 0.06 -0.15 -0.04 1.49 1.20 2q43A12 ILE 175 HG13 -0.31 -0.05 -0.36 -0.04 1.21 0.45 2q43A12 ILE 175 HG23 -0.19 -0.02 -0.21 -0.04 0.93 0.47 2q43A12 ILE 175 HD13 -0.59 0.00 -0.11 -0.04 0.88 0.15 2q43A12 HIS 176 H -0.35 0.61 0.29 -0.55 8.41 8.41 2q43A12 HIS 176 HA -0.52 0.08 0.94 -0.75 4.63 4.38 2q43A12 HIS 176 HB2 -0.26 -0.05 -0.09 -0.04 3.26 2.83 2q43A12 HIS 176 HB3 -0.11 0.03 0.09 -0.04 3.20 3.18 2q43A12 HIS 176 HD2 0.32 -0.09 -0.01 -0.04 6.97 7.15 2q43A12 HIS 176 HE1 0.17 -0.07 0.08 -0.04 7.75 7.88 2q43A12 LEU 177 H 0.46 0.09 0.10 -0.55 8.37 8.48 2q43A12 LEU 177 HA 0.08 0.23 0.56 -0.75 4.35 4.48 2q43A12 LEU 177 HB2 0.18 -0.02 0.07 -0.04 1.64 1.82 2q43A12 LEU 177 HB3 0.14 -0.00 -0.04 -0.04 1.64 1.70 2q43A12 LEU 177 HG 0.22 -0.03 -0.03 -0.04 1.64 1.76 2q43A12 LEU 177 HD13 0.09 -0.01 -0.04 -0.04 0.93 0.93 2q43A12 LEU 177 HD23 0.04 0.03 -0.07 -0.04 0.89 0.85 2q43A12 SER 178 H 0.09 0.58 0.23 -0.55 8.46 8.80 2q43A12 SER 178 HA 0.23 0.15 0.88 -0.75 4.49 4.99 2q43A12 SER 178 HB2 0.19 0.16 -0.22 -0.04 3.95 4.04 2q43A12 SER 178 HB3 0.10 0.01 -0.06 -0.04 3.93 3.93 2q43A12 ALA 179 H 0.18 0.21 0.03 -0.55 8.40 8.28 2q43A12 ALA 179 HA 0.05 0.01 0.56 -0.75 4.34 4.20 2q43A12 ALA 179 HB3 0.15 0.03 0.02 -0.04 1.41 1.56 2q43A12 ARG 180 H 0.07 0.00 -0.82 -0.55 8.46 7.17 2q43A12 ARG 180 HA 0.06 0.21 0.79 -0.75 4.34 4.65 2q43A12 ARG 180 HB2 0.07 -0.03 -0.05 -0.04 1.90 1.85 2q43A12 ARG 180 HB3 0.05 0.06 -0.03 -0.04 1.80 1.84 2q43A12 ARG 180 HG2 0.07 0.07 -0.07 -0.04 1.67 1.70 2q43A12 ARG 180 HG3 0.09 -0.17 -0.32 -0.04 1.67 1.23 2q43A12 ARG 180 HD2 0.07 -0.02 -0.06 -0.04 3.22 3.17 2q43A12 ARG 180 HD3 0.08 -0.02 -0.08 -0.04 3.22 3.16 2q43A12 ILE 181 H 0.04 -0.01 0.03 -0.55 8.25 7.76 2q43A12 ILE 181 HA 0.00 0.22 0.58 -0.75 4.18 4.22 2q43A12 ILE 181 HB -0.01 -0.10 -0.03 -0.04 1.89 1.71 2q43A12 ILE 181 HG12 0.04 -0.16 -0.10 -0.04 1.49 1.22 2q43A12 ILE 181 HG13 0.01 0.07 -0.18 -0.04 1.21 1.07 2q43A12 ILE 181 HG23 -0.05 0.08 -0.18 -0.04 0.93 0.74 2q43A12 ILE 181 HD13 0.00 0.04 -0.20 -0.04 0.88 0.68 2q43A12 PRO 182 HA 0.02 0.10 0.36 -0.51 4.44 4.41 2q43A12 PRO 182 HB2 -0.02 0.06 -0.08 -0.04 2.28 2.20 2q43A12 PRO 182 HB3 0.01 0.04 0.02 -0.04 2.02 2.05 2q43A12 PRO 182 HG2 -0.01 0.06 0.03 -0.04 2.03 2.07 2q43A12 PRO 182 HG3 0.00 0.06 0.03 -0.04 2.03 2.08 2q43A12 PRO 182 HD2 -0.04 0.11 0.11 -0.04 3.68 3.82 2q43A12 PRO 182 HD3 -0.01 0.15 0.21 -0.04 3.65 3.95 2q43A12 PHE 183 H 0.12 0.48 0.06 -0.55 8.34 8.45 2q43A12 PHE 183 HA -0.12 -0.02 -0.21 -0.75 4.62 3.52 2q43A12 PHE 183 HB2 -0.13 0.06 -0.23 -0.04 3.15 2.81 2q43A12 PHE 183 HB3 -0.09 -0.01 0.00 -0.04 3.06 2.93 2q43A12 PHE 183 HD2 -0.15 -0.00 -0.08 -0.04 7.28 7.01 2q43A12 PHE 183 HE2 -0.02 -0.04 -0.11 -0.04 7.38 7.17 2q43A12 PHE 183 HZ 0.17 0.06 -0.42 -0.04 7.32 7.08 2q43A12 GLY 184 H -0.75 0.59 0.23 -0.55 8.43 7.96 2q43A12 GLY 184 HA2 -0.75 -0.05 0.38 -0.51 4.01 3.07 2q43A12 GLY 184 HA3 -0.78 0.03 0.40 -0.51 4.01 3.16 2q43A12 LYS 185 H -0.19 0.36 -0.47 -0.55 8.42 7.56 2q43A12 LYS 185 HA -0.13 0.13 0.67 -0.75 4.32 4.23 2q43A12 LYS 185 HB2 -0.09 -0.02 0.00 -0.04 1.87 1.72 2q43A12 LYS 185 HB3 -0.09 0.09 0.07 -0.04 1.79 1.81 2q43A12 LYS 185 HG2 -0.09 -0.04 -0.08 -0.04 1.46 1.21 2q43A12 LYS 185 HG3 -0.06 -0.07 -0.11 -0.04 1.46 1.18 2q43A12 LYS 185 HD2 -0.06 -0.09 -0.07 -0.04 1.69 1.43 2q43A12 LYS 185 HD3 -0.06 0.08 -0.06 -0.04 1.68 1.60 2q43A12 LYS 185 HE2 -0.04 -0.10 -0.16 -0.04 2.99 2.65 2q43A12 LYS 185 HE3 -0.03 -0.11 -0.07 -0.04 2.99 2.74 2q43A12 ALA 186 H -0.06 0.91 0.50 -0.55 8.40 9.20 2q43A12 ALA 186 HA 0.06 0.18 0.99 -0.75 4.34 4.81 2q43A12 ALA 186 HB3 0.20 -0.02 0.02 -0.04 1.41 1.56 2q43A12 ALA 187 H 0.12 0.32 0.30 -0.55 8.40 8.59 2q43A12 ALA 187 HA -0.32 0.53 1.04 -0.75 4.34 4.84 2q43A12 ALA 187 HB3 -0.06 -0.03 -0.09 -0.04 1.41 1.19 2q43A12 SER 188 H -0.09 0.55 0.40 -0.55 8.46 8.77 2q43A12 SER 188 HA -0.57 0.14 0.58 -0.75 4.49 3.88 2q43A12 SER 188 HB2 -0.29 0.09 0.26 -0.04 3.95 3.97 2q43A12 SER 188 HB3 -0.25 -0.03 -0.03 -0.04 3.93 3.58 2q43A12 ARG 189 H -0.43 0.40 0.28 -0.55 8.46 8.16 2q43A12 ARG 189 HA -0.23 0.07 0.56 -0.75 4.34 3.99 2q43A12 ARG 189 HB2 -0.19 -0.06 0.14 -0.04 1.90 1.76 2q43A12 ARG 189 HB3 -0.27 0.11 -0.19 -0.04 1.80 1.40 2q43A12 ARG 189 HG2 -0.31 -0.12 -0.48 -0.04 1.67 0.72 2q43A12 ARG 189 HG3 -0.19 0.14 -0.16 -0.04 1.67 1.41 2q43A12 ARG 189 HD2 -0.16 -0.06 -0.10 -0.04 3.22 2.85 2q43A12 ARG 189 HD3 0.02 0.30 0.06 -0.04 3.22 3.55 2q43A12 ALA 190 H -0.63 0.13 0.15 -0.55 8.40 7.51 2q43A12 ALA 190 HA -0.37 0.18 0.81 -0.75 4.34 4.20 2q43A12 ALA 190 HB3 -0.32 -0.01 0.10 -0.04 1.41 1.13 2q43A12 GLY 191 H -0.05 0.75 0.31 -0.55 8.43 8.89 2q43A12 GLY 191 HA2 0.01 -0.01 0.33 -0.51 4.01 3.83 2q43A12 GLY 191 HA3 -0.02 0.03 0.50 -0.51 4.01 4.01 2q43A12 SER 192 H 0.02 0.07 0.19 -0.55 8.46 8.20 2q43A12 SER 192 HA 0.10 0.03 0.38 -0.75 4.49 4.24 2q43A12 SER 192 HB2 0.08 0.01 0.14 -0.04 3.95 4.14 2q43A12 SER 192 HB3 0.04 -0.05 0.18 -0.04 3.93 4.05 2q43A12 PHE 193 H 0.20 0.34 0.34 -0.55 8.34 8.66 2q43A12 PHE 193 HA -0.03 0.16 0.90 -0.75 4.62 4.89 2q43A12 PHE 193 HB2 -0.03 0.06 -0.17 -0.04 3.15 2.96 2q43A12 PHE 193 HB3 -0.00 0.04 0.15 -0.04 3.06 3.21 2q43A12 PHE 193 HD2 0.01 -0.02 -0.04 -0.04 7.28 7.19 2q43A12 PHE 193 HE2 0.13 0.10 -0.22 -0.04 7.38 7.35 2q43A12 PHE 193 HZ 0.06 -0.04 -0.14 -0.04 7.32 7.15 2q43A12 LEU 194 H -0.01 0.33 0.36 -0.55 8.37 8.51 2q43A12 LEU 194 HA -0.10 0.21 1.08 -0.75 4.35 4.78 2q43A12 LEU 194 HB2 -0.30 -0.11 0.18 -0.04 1.64 1.37 2q43A12 LEU 194 HB3 -0.35 0.17 0.09 -0.04 1.64 1.51 2q43A12 LEU 194 HG -0.79 -0.05 -0.05 -0.04 1.64 0.71 2q43A12 LEU 194 HD13 -0.86 -0.01 -0.09 -0.04 0.93 -0.08 2q43A12 LEU 194 HD23 -1.09 0.03 -0.17 -0.04 0.89 -0.38 2q43A12 ALA 195 H -0.15 0.56 0.40 -0.55 8.40 8.66 2q43A12 ALA 195 HA -0.49 -0.02 0.42 -0.75 4.34 3.51 2q43A12 ALA 195 HB3 -0.86 -0.03 0.06 -0.04 1.41 0.54 2q43A12 GLY 196 H -0.22 0.32 0.29 -0.55 8.43 8.27 2q43A12 GLY 196 HA2 -0.28 0.24 0.48 -0.51 4.01 3.93 2q43A12 GLY 196 HA3 -0.40 -0.07 0.22 -0.51 4.01 3.26 2q43A12 ALA 197 H -0.28 0.57 0.36 -0.55 8.40 8.49 2q43A12 ALA 197 HA 0.08 0.25 0.81 -0.75 4.34 4.73 2q43A12 ALA 197 HB3 -0.07 -0.00 -0.07 -0.04 1.41 1.23 2q43A12 GLY 198 H 0.16 0.53 0.40 -0.55 8.43 8.97 2q43A12 GLY 198 HA2 0.10 0.16 0.71 -0.51 4.01 4.46 2q43A12 GLY 198 HA3 0.27 0.03 0.36 -0.51 4.01 4.17 2q43A12 VAL 199 H 0.10 0.34 0.21 -0.55 8.24 8.34 2q43A12 VAL 199 HA 0.02 0.18 1.07 -0.75 4.13 4.66 2q43A12 VAL 199 HB -0.10 0.03 0.17 -0.04 2.12 2.18 2q43A12 VAL 199 HG13 -0.03 -0.02 -0.12 -0.04 0.97 0.76 2q43A12 VAL 199 HG23 0.01 -0.01 -0.05 -0.04 0.95 0.86 2q43A12 PHE 200 H -0.41 0.35 0.27 -0.55 8.34 8.00 2q43A12 PHE 200 HA 0.00 0.29 0.90 -0.75 4.62 5.05 2q43A12 PHE 200 HB2 -0.02 -0.02 -0.05 -0.04 3.15 3.02 2q43A12 PHE 200 HB3 -0.02 0.03 -0.19 -0.04 3.06 2.84 2q43A12 PHE 200 HD2 -0.02 -0.00 -0.41 -0.04 7.28 6.80 2q43A12 PHE 200 HE2 -0.03 0.07 -0.26 -0.04 7.38 7.13 2q43A12 PHE 200 HZ -0.03 0.05 -0.25 -0.04 7.32 7.05 2q43A12 GLU 201 H 0.14 0.47 0.33 -0.55 8.60 8.99 2q43A12 GLU 201 HA -0.02 0.35 1.03 -0.75 4.29 4.89 2q43A12 GLU 201 HB2 -0.03 -0.02 -0.10 -0.04 2.09 1.90 2q43A12 GLU 201 HB3 0.02 -0.10 0.12 -0.04 1.99 1.99 2q43A12 GLU 201 HG2 -0.00 -0.01 -0.08 -0.04 2.34 2.21 2q43A12 GLU 201 HG3 -0.04 0.14 0.10 -0.04 2.34 2.50 2q43A12 ALA 202 H 0.07 0.77 0.37 -0.55 8.40 9.06 2q43A12 ALA 202 HA 0.05 0.44 1.14 -0.75 4.34 5.22 2q43A12 ALA 202 HB3 0.08 -0.03 -0.11 -0.04 1.41 1.31 2q43A12 VAL 203 H 0.02 0.56 0.34 -0.55 8.24 8.61 2q43A12 VAL 203 HA 0.01 0.26 1.15 -0.75 4.13 4.80 2q43A12 VAL 203 HB 0.01 -0.05 0.17 -0.04 2.12 2.21 2q43A12 VAL 203 HG13 0.00 -0.00 -0.19 -0.04 0.97 0.74 2q43A12 VAL 203 HG23 0.01 -0.00 -0.10 -0.04 0.95 0.81 2q43A12 ILE 204 H 0.00 0.98 0.43 -0.55 8.25 9.12 2q43A12 ILE 204 HA 0.00 0.38 1.14 -0.75 4.18 4.96 2q43A12 ILE 204 HB -0.01 -0.05 0.13 -0.04 1.89 1.92 2q43A12 ILE 204 HG12 0.01 0.04 -0.13 -0.04 1.49 1.36 2q43A12 ILE 204 HG13 -0.01 -0.01 -0.12 -0.04 1.21 1.03 2q43A12 ILE 204 HG23 -0.01 0.02 -0.10 -0.04 0.93 0.80 2q43A12 ILE 204 HD13 0.00 0.02 -0.32 -0.04 0.88 0.54 2q43A12 THR 205 H 0.01 0.49 0.29 -0.55 8.28 8.51 2q43A12 THR 205 HA 0.00 0.19 0.92 -0.75 4.39 4.75 2q43A12 THR 205 HB 0.00 0.09 0.11 -0.04 4.32 4.48 2q43A12 THR 205 HG23 0.00 -0.03 -0.21 -0.04 1.22 0.95 2q43A12 GLY 206 H 0.01 0.20 0.19 -0.55 8.43 8.28 2q43A12 GLY 206 HA2 0.02 0.14 0.51 -0.51 4.01 4.16 2q43A12 GLY 206 HA3 0.01 0.03 0.26 -0.51 4.01 3.80 2q43A12 LYS 207 H 0.01 0.46 0.24 -0.55 8.42 8.58 2q43A12 LYS 207 HA 0.01 0.16 0.53 -0.75 4.32 4.27 2q43A12 LYS 207 HB2 0.01 0.03 0.06 -0.04 1.87 1.93 2q43A12 LYS 207 HB3 0.01 -0.02 0.01 -0.04 1.79 1.74 2q43A12 LYS 207 HG2 0.01 -0.02 -0.34 -0.04 1.46 1.07 2q43A12 LYS 207 HG3 0.02 0.12 -0.63 -0.04 1.46 0.92 2q43A12 LYS 207 HD2 0.02 0.14 -0.31 -0.04 1.69 1.49 2q43A12 LYS 207 HD3 0.01 -0.03 -0.15 -0.04 1.68 1.47 2q43A12 LYS 207 HE2 0.01 -0.03 -0.05 -0.04 2.99 2.88 2q43A12 LYS 207 HE3 0.01 -0.02 -0.11 -0.04 2.99 2.83 2q43A12 THR 217 HA 0.01 0.02 0.34 -0.75 4.39 4.00 2q43A12 THR 217 HB 0.01 -0.03 0.06 -0.04 4.32 4.31 2q43A12 THR 217 HG23 0.00 0.01 -0.06 -0.04 1.22 1.13 2q43A12 ILE 218 H 0.01 0.22 0.16 -0.55 8.25 8.09 2q43A12 ILE 218 HA 0.01 0.19 0.79 -0.75 4.18 4.42 2q43A12 ILE 218 HB 0.01 -0.05 0.16 -0.04 1.89 1.97 2q43A12 ILE 218 HG12 0.01 0.04 0.08 -0.04 1.49 1.58 2q43A12 ILE 218 HG13 0.03 0.00 -0.30 -0.04 1.21 0.90 2q43A12 ILE 218 HG23 0.01 0.02 0.01 -0.04 0.93 0.92 2q43A12 ILE 218 HD13 0.01 0.00 -0.00 -0.04 0.88 0.85 2q43A12 ASP 219 H 0.02 0.19 -0.14 -0.55 8.40 7.92 2q43A12 ASP 219 HA 0.07 -0.01 0.38 -0.75 4.63 4.31 2q43A12 ASP 219 HB2 0.03 -0.01 0.06 -0.04 2.71 2.75 2q43A12 ASP 219 HB3 0.07 0.43 0.06 -0.04 2.70 3.21 2q43A12 PRO 220 HA 0.00 0.07 0.31 -0.51 4.44 4.31 2q43A12 PRO 220 HB2 0.00 0.10 -0.07 -0.04 2.28 2.27 2q43A12 PRO 220 HB3 0.00 0.08 -0.08 -0.04 2.02 1.98 2q43A12 PRO 220 HG2 0.01 0.20 0.10 -0.04 2.03 2.30 2q43A12 PRO 220 HG3 0.01 -0.06 -0.09 -0.04 2.03 1.85 2q43A12 PRO 220 HD2 0.01 0.30 -0.21 -0.04 3.68 3.74 2q43A12 PRO 220 HD3 0.02 0.03 -0.08 -0.04 3.65 3.58 2q43A12 VAL 221 H 0.01 0.26 -0.26 -0.55 8.24 7.69 2q43A12 VAL 221 HA -0.01 0.02 0.35 -0.75 4.13 3.74 2q43A12 VAL 221 HB 0.01 0.15 0.17 -0.04 2.12 2.40 2q43A12 VAL 221 HG13 0.00 -0.02 -0.12 -0.04 0.97 0.80 2q43A12 VAL 221 HG23 0.00 0.02 0.03 -0.04 0.95 0.95 2q43A12 VAL 222 H 0.02 0.58 -0.04 -0.55 8.24 8.26 2q43A12 VAL 222 HA 0.02 -0.01 0.37 -0.75 4.13 3.76 2q43A12 VAL 222 HB 0.13 0.10 0.09 -0.04 2.12 2.40 2q43A12 VAL 222 HG13 0.17 -0.01 -0.11 -0.04 0.97 0.98 2q43A12 VAL 222 HG23 0.04 0.04 -0.01 -0.04 0.95 0.99 2q43A12 ALA 223 H -0.03 0.69 -0.21 -0.55 8.40 8.32 2q43A12 ALA 223 HA -0.80 0.02 0.33 -0.75 4.34 3.14 2q43A12 ALA 223 HB3 -0.10 0.03 0.02 -0.04 1.41 1.33 2q43A12 ALA 224 H -0.06 0.60 -0.23 -0.55 8.40 8.16 2q43A12 ALA 224 HA -0.05 -0.01 0.37 -0.75 4.34 3.89 2q43A12 ALA 224 HB3 -0.02 0.03 0.06 -0.04 1.41 1.44 2q43A12 SER 225 H -0.04 0.59 -0.06 -0.55 8.46 8.41 2q43A12 SER 225 HA -0.02 -0.01 0.38 -0.75 4.49 4.09 2q43A12 SER 225 HB2 -0.01 -0.04 0.02 -0.04 3.95 3.88 2q43A12 SER 225 HB3 -0.01 -0.01 0.09 -0.04 3.93 3.96 2q43A12 SER 226 H -0.09 0.54 -0.31 -0.55 8.46 8.06 2q43A12 SER 226 HA -0.02 -0.01 0.41 -0.75 4.49 4.12 2q43A12 SER 226 HB2 -0.04 0.02 0.07 -0.04 3.95 3.95 2q43A12 SER 226 HB3 -0.31 0.20 0.12 -0.04 3.93 3.89 2q43A12 ILE 227 H -0.10 0.56 -0.18 -0.55 8.25 7.98 2q43A12 ILE 227 HA -0.05 0.01 0.40 -0.75 4.18 3.78 2q43A12 ILE 227 HB -0.04 0.15 0.20 -0.04 1.89 2.16 2q43A12 ILE 227 HG12 -0.06 -0.04 -0.04 -0.04 1.49 1.32 2q43A12 ILE 227 HG13 -0.12 0.14 0.00 -0.04 1.21 1.19 2q43A12 ILE 227 HG23 -0.01 -0.04 -0.22 -0.04 0.93 0.62 2q43A12 ILE 227 HD13 -0.05 -0.04 -0.19 -0.04 0.88 0.56 2q43A12 VAL 228 H -0.02 0.72 -0.05 -0.55 8.24 8.34 2q43A12 VAL 228 HA 0.02 -0.03 0.35 -0.75 4.13 3.72 2q43A12 VAL 228 HB -0.00 0.14 0.14 -0.04 2.12 2.36 2q43A12 VAL 228 HG13 0.01 -0.02 -0.10 -0.04 0.97 0.82 2q43A12 VAL 228 HG23 0.01 0.02 -0.00 -0.04 0.95 0.93 2q43A12 LEU 229 H -0.01 0.39 -0.41 -0.55 8.37 7.79 2q43A12 LEU 229 HA -0.00 0.08 0.70 -0.75 4.35 4.38 2q43A12 LEU 229 HB2 -0.00 0.13 0.13 -0.04 1.64 1.85 2q43A12 LEU 229 HB3 -0.00 -0.03 -0.03 -0.04 1.64 1.54 2q43A12 LEU 229 HG -0.00 0.05 -0.01 -0.04 1.64 1.63 2q43A12 LEU 229 HD13 0.00 -0.01 -0.02 -0.04 0.93 0.85 2q43A12 LEU 229 HD23 0.00 -0.01 -0.00 -0.04 0.89 0.84 2q43A12 SER 230 H -0.02 0.59 0.01 -0.55 8.46 8.50 2q43A12 SER 230 HA -0.01 0.05 0.48 -0.75 4.49 4.25 2q43A12 SER 230 HB2 -0.03 0.05 0.10 -0.04 3.95 4.03 2q43A12 SER 230 HB3 -0.02 -0.06 0.04 -0.04 3.93 3.84 2q43A12 LEU 231 H -0.02 0.54 -0.27 -0.55 8.37 8.07 2q43A12 LEU 231 HA -0.06 0.06 0.44 -0.75 4.35 4.03 2q43A12 LEU 231 HB2 0.00 0.10 0.03 -0.04 1.64 1.74 2q43A12 LEU 231 HB3 -0.02 -0.05 -0.13 -0.04 1.64 1.39 2q43A12 LEU 231 HG -0.05 0.13 -0.07 -0.04 1.64 1.61 2q43A12 LEU 231 HD13 0.03 -0.02 -0.18 -0.04 0.93 0.71 2q43A12 LEU 231 HD23 -0.21 -0.01 -0.07 -0.04 0.89 0.56 2q43A12 GLN 232 H -0.00 0.32 -0.22 -0.55 8.47 8.03 2q43A12 GLN 232 HA 0.00 0.05 0.42 -0.75 4.36 4.08 2q43A12 GLN 232 HB2 0.00 0.11 0.21 -0.04 2.15 2.43 2q43A12 GLN 232 HB3 0.00 -0.05 0.12 -0.04 2.02 2.05 2q43A12 GLN 232 HG2 0.01 -0.05 0.14 -0.04 2.40 2.46 2q43A12 GLN 232 HG3 0.01 0.12 0.18 -0.04 2.39 2.67 2q43A12 GLN 232 HE21 0.01 -0.04 0.04 -0.04 6.97 6.93 2q43A12 GLN 232 HE22 0.01 -0.03 0.08 -0.04 7.69 7.70 2q43A12 GLN 233 H -0.01 0.14 -1.03 -0.55 8.47 7.02 2q43A12 GLN 233 HA -0.01 0.03 0.44 -0.75 4.36 4.06 2q43A12 GLN 233 HB2 -0.01 0.04 0.12 -0.04 2.15 2.25 2q43A12 GLN 233 HB3 -0.02 0.33 0.09 -0.04 2.02 2.38 2q43A12 GLN 233 HG2 -0.01 -0.01 0.05 -0.04 2.40 2.38 2q43A12 GLN 233 HG3 -0.01 -0.05 0.08 -0.04 2.39 2.38 2q43A12 GLN 233 HE21 -0.00 -0.04 -0.01 -0.04 6.97 6.88 2q43A12 GLN 233 HE22 -0.01 -0.02 0.01 -0.04 7.69 7.63 2q43A12 LEU 234 H -0.03 0.73 -0.41 -0.55 8.37 8.12 2q43A12 LEU 234 HA -0.03 0.09 0.61 -0.75 4.35 4.27 2q43A12 LEU 234 HB2 -0.05 0.10 0.02 -0.04 1.64 1.66 2q43A12 LEU 234 HB3 -0.06 -0.12 0.02 -0.04 1.64 1.45 2q43A12 LEU 234 HG -0.06 0.17 0.04 -0.04 1.64 1.76 2q43A12 LEU 234 HD13 -0.11 -0.04 -0.11 -0.04 0.93 0.64 2q43A12 LEU 234 HD23 -0.05 -0.01 -0.10 -0.04 0.89 0.69 2q43A12 VAL 235 H -0.01 0.31 -0.24 -0.55 8.24 7.76 2q43A12 VAL 235 HA -0.01 0.15 0.64 -0.75 4.13 4.17 2q43A12 VAL 235 HB 0.00 0.11 0.19 -0.04 2.12 2.38 2q43A12 VAL 235 HG13 0.01 -0.02 -0.08 -0.04 0.97 0.84 2q43A12 VAL 235 HG23 0.00 -0.06 0.17 -0.04 0.95 1.02 2q43A12 SER 236 H 0.01 0.72 0.45 -0.55 8.46 9.08 2q43A12 SER 236 HA 0.01 0.08 0.65 -0.75 4.49 4.47 2q43A12 SER 236 HB2 0.00 0.14 -0.20 -0.04 3.95 3.85 2q43A12 SER 236 HB3 0.01 0.02 0.07 -0.04 3.93 3.99 2q43A12 ARG 237 H 0.02 0.18 -0.04 -0.55 8.46 8.07 2q43A12 ARG 237 HA 0.04 0.05 0.50 -0.75 4.34 4.18 2q43A12 ARG 237 HB2 0.02 -0.02 0.06 -0.04 1.90 1.93 2q43A12 ARG 237 HB3 0.03 0.06 0.07 -0.04 1.80 1.93 2q43A12 ARG 237 HG2 0.06 -0.04 0.06 -0.04 1.67 1.71 2q43A12 ARG 237 HG3 0.03 0.14 -0.53 -0.04 1.67 1.27 2q43A12 ARG 237 HD2 0.04 -0.00 -0.04 -0.04 3.22 3.17 2q43A12 ARG 237 HD3 0.03 -0.01 -0.10 -0.04 3.22 3.10 2q43A12 GLU 238 H 0.02 0.09 -0.12 -0.55 8.60 8.05 2q43A12 GLU 238 HA 0.01 0.19 0.58 -0.75 4.29 4.32 2q43A12 GLU 238 HB2 0.01 0.04 0.09 -0.04 2.09 2.19 2q43A12 GLU 238 HB3 0.01 -0.53 0.26 -0.04 1.99 1.69 2q43A12 GLU 238 HG2 0.01 0.00 0.04 -0.04 2.34 2.35 2q43A12 GLU 238 HG3 0.01 0.06 0.04 -0.04 2.34 2.41 2q43A12 THR 239 H 0.01 0.06 0.10 -0.55 8.28 7.90 2q43A12 THR 239 HA 0.00 0.18 0.48 -0.75 4.39 4.30 2q43A12 THR 239 HB 0.00 0.04 0.02 -0.04 4.32 4.33 2q43A12 THR 239 HG23 0.00 0.01 0.03 -0.04 1.22 1.22 2q43A12 ASP 240 H 0.00 0.02 0.01 -0.55 8.40 7.89 2q43A12 ASP 240 HA -0.02 0.16 0.47 -0.75 4.63 4.49 2q43A12 ASP 240 HB2 -0.00 0.04 0.12 -0.04 2.71 2.83 2q43A12 ASP 240 HB3 -0.00 -0.05 0.14 -0.04 2.70 2.74 2q43A12 PRO 241 HA -0.01 0.12 0.35 -0.51 4.44 4.39 2q43A12 PRO 241 HB2 -0.15 0.04 0.03 -0.04 2.28 2.16 2q43A12 PRO 241 HB3 -0.04 0.08 0.13 -0.04 2.02 2.15 2q43A12 PRO 241 HG2 -0.12 -0.01 0.09 -0.04 2.03 1.96 2q43A12 PRO 241 HG3 -0.06 0.06 0.12 -0.04 2.03 2.12 2q43A12 PRO 241 HD2 -0.04 -0.02 0.28 -0.04 3.68 3.85 2q43A12 PRO 241 HD3 -0.03 0.36 0.34 -0.04 3.65 4.28 2q43A12 LEU 242 H -0.10 0.06 -0.42 -0.55 8.37 7.37 2q43A12 LEU 242 HA -0.37 0.13 0.45 -0.75 4.35 3.81 2q43A12 LEU 242 HB2 -0.05 -0.04 -0.02 -0.04 1.64 1.49 2q43A12 LEU 242 HB3 -0.02 -0.02 -0.01 -0.04 1.64 1.55 2q43A12 LEU 242 HG -0.20 -0.02 -0.01 -0.04 1.64 1.37 2q43A12 LEU 242 HD13 -0.05 0.01 0.01 -0.04 0.93 0.85 2q43A12 LEU 242 HD23 -0.30 0.05 -0.08 -0.04 0.89 0.52 2q43A12 ASP 243 H 0.02 0.51 -0.37 -0.55 8.40 8.00 2q43A12 ASP 243 HA 0.07 0.09 0.54 -0.75 4.63 4.58 2q43A12 ASP 243 HB2 0.03 0.08 -0.02 -0.04 2.71 2.76 2q43A12 ASP 243 HB3 0.03 -0.01 0.04 -0.04 2.70 2.71 2q43A12 SER 244 H 0.15 0.26 -0.38 -0.55 8.46 7.94 2q43A12 SER 244 HA 0.08 0.20 0.54 -0.75 4.49 4.55 2q43A12 SER 244 HB2 0.34 0.01 0.10 -0.04 3.95 4.36 2q43A12 SER 244 HB3 0.13 -0.02 -0.04 -0.04 3.93 3.96 2q43A12 LYS 245 H 0.04 0.76 0.51 -0.55 8.42 9.17 2q43A12 LYS 245 HA 0.01 0.21 1.02 -0.75 4.32 4.80 2q43A12 LYS 245 HB2 0.00 0.02 0.22 -0.04 1.87 2.08 2q43A12 LYS 245 HB3 -0.03 -0.02 0.10 -0.04 1.79 1.80 2q43A12 LYS 245 HG2 0.02 -0.07 0.07 -0.04 1.46 1.44 2q43A12 LYS 245 HG3 0.04 0.21 -0.39 -0.04 1.46 1.28 2q43A12 LYS 245 HD2 -0.01 0.02 0.01 -0.04 1.69 1.67 2q43A12 LYS 245 HD3 -0.02 -0.08 -0.01 -0.04 1.68 1.52 2q43A12 LYS 245 HE2 0.03 0.07 0.00 -0.04 2.99 3.04 2q43A12 LYS 245 HE3 0.01 -0.11 -0.02 -0.04 2.99 2.83 2q43A12 VAL 246 H -0.02 0.60 0.37 -0.55 8.24 8.63 2q43A12 VAL 246 HA -0.00 0.16 0.92 -0.75 4.13 4.46 2q43A12 VAL 246 HB -0.01 -0.07 0.02 -0.04 2.12 2.02 2q43A12 VAL 246 HG13 0.01 -0.00 -0.16 -0.04 0.97 0.77 2q43A12 VAL 246 HG23 0.01 0.01 -0.23 -0.04 0.95 0.69 2q43A12 VAL 247 H 0.01 0.32 0.09 -0.55 8.24 8.11 2q43A12 VAL 247 HA 0.06 0.21 0.88 -0.75 4.13 4.52 2q43A12 VAL 247 HB -0.01 0.07 -0.03 -0.04 2.12 2.11 2q43A12 VAL 247 HG13 0.00 -0.01 -0.19 -0.04 0.97 0.73 2q43A12 VAL 247 HG23 -0.08 -0.01 -0.25 -0.04 0.95 0.57 2q43A12 THR 248 H 0.13 0.97 0.32 -0.55 8.28 9.15 2q43A12 THR 248 HA 0.04 0.20 0.94 -0.75 4.39 4.81 2q43A12 THR 248 HB 0.02 -0.11 0.09 -0.04 4.32 4.27 2q43A12 THR 248 HG23 -0.01 -0.01 -0.23 -0.04 1.22 0.93 2q43A12 VAL 249 H 0.04 0.28 0.15 -0.55 8.24 8.15 2q43A12 VAL 249 HA 0.01 0.24 1.00 -0.75 4.13 4.63 2q43A12 VAL 249 HB 0.03 0.01 0.22 -0.04 2.12 2.34 2q43A12 VAL 249 HG13 0.02 0.00 -0.01 -0.04 0.97 0.94 2q43A12 VAL 249 HG23 0.14 0.01 -0.09 -0.04 0.95 0.96 2q43A12 SER 250 H -0.10 0.30 0.26 -0.55 8.46 8.38 2q43A12 SER 250 HA -0.03 0.22 0.90 -0.75 4.49 4.82 2q43A12 SER 250 HB2 -0.04 0.01 0.14 -0.04 3.95 4.02 2q43A12 SER 250 HB3 -0.04 -0.03 -0.08 -0.04 3.93 3.74 2q43A12 LYS 251 H -0.06 0.31 0.06 -0.55 8.42 8.17 2q43A12 LYS 251 HA -0.04 0.11 0.67 -0.75 4.32 4.30 2q43A12 LYS 251 HB2 -0.07 0.10 -0.17 -0.04 1.87 1.69 2q43A12 LYS 251 HB3 -0.11 -0.11 -0.05 -0.04 1.79 1.48 2q43A12 LYS 251 HG2 -0.05 0.08 -0.38 -0.04 1.46 1.07 2q43A12 LYS 251 HG3 -0.04 -0.01 -0.07 -0.04 1.46 1.30 2q43A12 LYS 251 HD2 -0.06 0.01 -0.09 -0.04 1.69 1.51 2q43A12 LYS 251 HD3 -0.08 -0.03 -0.15 -0.04 1.68 1.38 2q43A12 LYS 251 HE2 -0.03 0.04 -0.20 -0.04 2.99 2.75 2q43A12 LYS 251 HE3 -0.03 -0.01 -0.09 -0.04 2.99 2.81 2q43A12 VAL 252 H -0.02 0.23 0.04 -0.55 8.24 7.94 2q43A12 VAL 252 HA -0.01 0.25 0.71 -0.75 4.13 4.32 2q43A12 VAL 252 HB -0.01 -0.02 0.06 -0.04 2.12 2.11 2q43A12 VAL 252 HG13 -0.00 -0.00 -0.13 -0.04 0.97 0.80 2q43A12 VAL 252 HG23 -0.00 -0.03 -0.24 -0.04 0.95 0.64 2q43A12 ASN 253 H -0.01 0.45 0.13 -0.55 8.53 8.55 2q43A12 ASN 253 HA -0.01 0.16 0.39 -0.75 4.76 4.55 2q43A12 ASN 253 HB2 -0.01 0.01 0.12 -0.04 2.88 2.96 2q43A12 ASN 253 HB3 -0.01 0.14 -0.09 -0.04 2.79 2.79 2q43A12 ASN 253 HD21 -0.02 0.02 -0.07 -0.04 7.03 6.92 2q43A12 ASN 253 HD22 -0.02 0.01 -0.16 -0.04 7.74 7.54 2q43A12 PRO 262 HA 0.00 -0.03 0.15 -0.51 4.44 4.06 2q43A12 PRO 262 HB2 0.00 0.00 -0.03 -0.04 2.28 2.22 2q43A12 PRO 262 HB3 0.00 -0.00 0.07 -0.04 2.02 2.04 2q43A12 PRO 262 HG2 0.00 -0.00 0.04 -0.04 2.03 2.03 2q43A12 PRO 262 HG3 0.00 -0.00 0.05 -0.04 2.03 2.04 2q43A12 PRO 262 HD2 -0.00 -0.01 0.09 -0.04 3.68 3.72 2q43A12 PRO 262 HD3 -0.00 -0.00 0.11 -0.04 3.65 3.72 2q43A12 ASP 263 H 0.00 0.13 0.15 -0.55 8.40 8.13 2q43A12 ASP 263 HA 0.00 0.10 0.56 -0.75 4.63 4.54 2q43A12 ASP 263 HB2 0.00 -0.02 0.16 -0.04 2.71 2.81 2q43A12 ASP 263 HB3 0.00 -0.05 0.15 -0.04 2.70 2.75 2q43A12 SER 264 H -0.00 0.11 0.09 -0.55 8.46 8.11 2q43A12 SER 264 HA 0.00 0.31 1.02 -0.75 4.49 5.07 2q43A12 SER 264 HB2 0.00 0.02 -0.03 -0.04 3.95 3.90 2q43A12 SER 264 HB3 0.00 0.00 -0.09 -0.04 3.93 3.80 2q43A12 ILE 265 H 0.00 0.66 0.31 -0.55 8.25 8.67 2q43A12 ILE 265 HA -0.00 0.29 1.04 -0.75 4.18 4.75 2q43A12 ILE 265 HB -0.00 -0.00 0.13 -0.04 1.89 1.97 2q43A12 ILE 265 HG12 -0.00 0.08 -0.32 -0.04 1.49 1.21 2q43A12 ILE 265 HG13 -0.00 -0.01 -0.45 -0.04 1.21 0.71 2q43A12 ILE 265 HG23 -0.00 -0.01 -0.12 -0.04 0.93 0.75 2q43A12 ILE 265 HD13 -0.01 0.06 -0.40 -0.04 0.88 0.49 2q43A12 THR 266 H -0.00 0.50 0.19 -0.55 8.28 8.42 2q43A12 THR 266 HA 0.01 0.33 1.24 -0.75 4.39 5.21 2q43A12 THR 266 HB -0.01 -0.05 0.16 -0.04 4.32 4.37 2q43A12 THR 266 HG23 -0.01 -0.00 -0.18 -0.04 1.22 0.98 2q43A12 ILE 267 H 0.02 0.71 0.39 -0.55 8.25 8.83 2q43A12 ILE 267 HA -0.00 0.28 0.97 -0.75 4.18 4.67 2q43A12 ILE 267 HB 0.10 -0.07 0.07 -0.04 1.89 1.94 2q43A12 ILE 267 HG12 0.02 0.03 -0.03 -0.04 1.49 1.46 2q43A12 ILE 267 HG13 0.02 -0.05 -0.19 -0.04 1.21 0.95 2q43A12 ILE 267 HG23 0.12 0.02 0.00 -0.04 0.93 1.03 2q43A12 ILE 267 HD13 0.02 -0.01 -0.06 -0.04 0.88 0.79 2q43A12 GLY 268 H -0.07 0.57 0.43 -0.55 8.43 8.81 2q43A12 GLY 268 HA2 -0.43 0.28 0.72 -0.51 4.01 4.08 2q43A12 GLY 268 HA3 -0.22 0.00 0.42 -0.51 4.01 3.71 2q43A12 GLY 269 H -0.79 0.44 0.39 -0.55 8.43 7.92 2q43A12 GLY 269 HA2 -0.24 -0.13 0.39 -0.51 4.01 3.53 2q43A12 GLY 269 HA3 -0.36 0.43 0.83 -0.51 4.01 4.40 2q43A12 THR 270 H -0.02 0.46 0.37 -0.55 8.28 8.54 2q43A12 THR 270 HA 0.02 0.26 1.16 -0.75 4.39 5.07 2q43A12 THR 270 HB 0.02 0.07 0.16 -0.04 4.32 4.53 2q43A12 THR 270 HG23 -0.05 -0.02 -0.20 -0.04 1.22 0.91 2q43A12 LEU 271 H 0.10 0.56 0.36 -0.55 8.37 8.85 2q43A12 LEU 271 HA 0.05 0.19 0.68 -0.75 4.35 4.52 2q43A12 LEU 271 HB2 -0.08 0.04 0.01 -0.04 1.64 1.58 2q43A12 LEU 271 HB3 0.04 0.04 0.03 -0.04 1.64 1.70 2q43A12 LEU 271 HG 0.21 -0.03 -0.31 -0.04 1.64 1.47 2q43A12 LEU 271 HD13 -0.02 -0.03 -0.14 -0.04 0.93 0.70 2q43A12 LEU 271 HD23 -0.09 0.00 -0.22 -0.04 0.89 0.54 2q43A12 ARG 272 H -0.00 0.54 0.32 -0.55 8.46 8.77 2q43A12 ARG 272 HA 0.11 0.22 0.80 -0.75 4.34 4.72 2q43A12 ARG 272 HB2 -0.08 -0.06 -0.04 -0.04 1.90 1.68 2q43A12 ARG 272 HB3 -0.13 0.12 0.04 -0.04 1.80 1.79 2q43A12 ARG 272 HG2 -0.01 0.13 -0.33 -0.04 1.67 1.42 2q43A12 ARG 272 HG3 -0.01 -0.10 -0.34 -0.04 1.67 1.17 2q43A12 ARG 272 HD2 -0.05 -0.03 -0.16 -0.04 3.22 2.94 2q43A12 ARG 272 HD3 -0.09 -0.00 -0.16 -0.04 3.22 2.92 2q43A12 ALA 273 H 0.03 0.37 0.17 -0.55 8.40 8.43 2q43A12 ALA 273 HA -0.03 0.36 0.66 -0.75 4.34 4.58 2q43A12 ALA 273 HB3 0.10 0.04 -0.06 -0.04 1.41 1.44 2q43A12 PHE 274 H 0.18 0.41 0.19 -0.55 8.34 8.57 2q43A12 PHE 274 HA 0.01 0.05 0.72 -0.75 4.62 4.64 2q43A12 PHE 274 HB2 0.02 0.29 0.14 -0.04 3.15 3.56 2q43A12 PHE 274 HB3 0.02 -0.07 -0.05 -0.04 3.06 2.92 2q43A12 PHE 274 HD2 0.00 0.05 -0.22 -0.04 7.28 7.07 2q43A12 PHE 274 HE2 -0.03 0.06 -0.09 -0.04 7.38 7.27 2q43A12 PHE 274 HZ -0.02 -0.10 -0.64 -0.04 7.32 6.52 2q43A12 THR 275 H 0.17 0.28 0.11 -0.55 8.28 8.29 2q43A12 THR 275 HA 0.11 0.09 0.69 -0.75 4.39 4.52 2q43A12 THR 275 HB 0.07 -0.05 0.05 -0.04 4.32 4.34 2q43A12 THR 275 HG23 0.09 -0.00 -0.18 -0.04 1.22 1.09 2q43A12 GLY 276 H 0.08 0.18 0.14 -0.55 8.43 8.27 2q43A12 GLY 276 HA2 0.05 0.00 0.35 -0.51 4.01 3.90 2q43A12 GLY 276 HA3 0.04 0.18 0.41 -0.51 4.01 4.13 2q43A12 PHE 277 H 0.20 0.12 -0.29 -0.55 8.34 7.82 2q43A12 PHE 277 HA -0.02 0.15 0.21 -0.75 4.62 4.20 2q43A12 PHE 277 HB2 -0.02 0.08 -0.08 -0.04 3.15 3.09 2q43A12 PHE 277 HB3 -0.01 -0.01 -0.03 -0.04 3.06 2.97 2q43A12 PHE 277 HD2 -0.03 0.01 -0.21 -0.04 7.28 7.01 2q43A12 PHE 277 HE2 -0.03 0.07 -0.22 -0.04 7.38 7.17 2q43A12 PHE 277 HZ -0.01 0.01 -0.23 -0.04 7.32 7.05 2q43A12 THR 278 H 0.12 0.04 -0.29 -0.55 8.28 7.60 2q43A12 THR 278 HA 0.05 0.13 0.39 -0.75 4.39 4.19 2q43A12 THR 278 HB 0.04 -0.04 -0.00 -0.04 4.32 4.27 2q43A12 THR 278 HG23 0.02 0.02 -0.10 -0.04 1.22 1.13 2q43A12 GLN 279 H -0.01 0.08 -0.24 -0.55 8.47 7.76 2q43A12 GLN 279 HA -0.04 0.06 0.39 -0.75 4.36 4.02 2q43A12 GLN 279 HB2 -0.03 0.14 0.01 -0.04 2.15 2.23 2q43A12 GLN 279 HB3 -0.02 0.02 0.05 -0.04 2.02 2.02 2q43A12 GLN 279 HG2 0.01 -0.20 0.09 -0.04 2.40 2.25 2q43A12 GLN 279 HG3 0.00 0.04 0.07 -0.04 2.39 2.46 2q43A12 GLN 279 HE21 0.01 0.06 -0.03 -0.04 6.97 6.97 2q43A12 GLN 279 HE22 0.02 -0.12 -0.02 -0.04 7.69 7.52 2q43A12 LEU 280 H -0.14 0.43 -0.25 -0.55 8.37 7.86 2q43A12 LEU 280 HA -0.13 0.08 0.40 -0.75 4.35 3.94 2q43A12 LEU 280 HB2 -0.16 0.07 0.04 -0.04 1.64 1.54 2q43A12 LEU 280 HB3 -0.41 0.07 0.09 -0.04 1.64 1.35 2q43A12 LEU 280 HG -0.25 -0.06 -0.25 -0.04 1.64 1.04 2q43A12 LEU 280 HD13 -0.11 0.00 -0.07 -0.04 0.93 0.72 2q43A12 LEU 280 HD23 -0.20 0.03 -0.11 -0.04 0.89 0.58 2q43A12 GLN 281 H -0.35 0.51 -0.08 -0.55 8.47 7.99 2q43A12 GLN 281 HA -0.22 0.01 0.33 -0.75 4.36 3.73 2q43A12 GLN 281 HB2 -0.15 0.08 0.17 -0.04 2.15 2.21 2q43A12 GLN 281 HB3 -0.08 -0.03 -0.04 -0.04 2.02 1.83 2q43A12 GLN 281 HG2 -0.10 -0.01 0.01 -0.04 2.40 2.26 2q43A12 GLN 281 HG3 -0.54 0.03 0.02 -0.04 2.39 1.86 2q43A12 GLN 281 HE21 0.16 -0.01 -0.03 -0.04 6.97 7.05 2q43A12 GLN 281 HE22 0.02 0.00 0.02 -0.04 7.69 7.70 2q43A12 GLN 282 H -0.10 0.60 -0.28 -0.55 8.47 8.14 2q43A12 GLN 282 HA -0.06 -0.03 0.37 -0.75 4.36 3.89 2q43A12 GLN 282 HB2 -0.05 0.06 0.12 -0.04 2.15 2.24 2q43A12 GLN 282 HB3 -0.04 -0.05 0.04 -0.04 2.02 1.93 2q43A12 GLN 282 HG2 -0.02 -0.06 0.00 -0.04 2.40 2.28 2q43A12 GLN 282 HG3 -0.03 0.18 0.07 -0.04 2.39 2.57 2q43A12 GLN 282 HE21 0.00 -0.03 -0.06 -0.04 6.97 6.85 2q43A12 GLN 282 HE22 0.00 -0.00 -0.04 -0.04 7.69 7.61 2q43A12 ARG 283 H -0.11 0.41 -0.46 -0.55 8.46 7.75 2q43A12 ARG 283 HA -0.07 0.01 0.56 -0.75 4.34 4.08 2q43A12 ARG 283 HB2 -0.07 0.09 0.12 -0.04 1.90 2.00 2q43A12 ARG 283 HB3 -0.11 0.08 0.19 -0.04 1.80 1.92 2q43A12 ARG 283 HG2 -0.06 0.03 -0.04 -0.04 1.67 1.55 2q43A12 ARG 283 HG3 -0.07 -0.05 -0.12 -0.04 1.67 1.38 2q43A12 ARG 283 HD2 -0.05 -0.04 0.03 -0.04 3.22 3.12 2q43A12 ARG 283 HD3 -0.04 -0.01 -0.02 -0.04 3.22 3.10 2q43A12 VAL 284 H -0.17 0.79 0.07 -0.55 8.24 8.38 2q43A12 VAL 284 HA -0.21 0.04 0.37 -0.75 4.13 3.57 2q43A12 VAL 284 HB -0.29 0.07 0.09 -0.04 2.12 1.95 2q43A12 VAL 284 HG13 -0.79 -0.02 -0.23 -0.04 0.97 -0.11 2q43A12 VAL 284 HG23 -0.29 0.03 -0.07 -0.04 0.95 0.58 2q43A12 LYS 285 H -0.14 0.61 -0.14 -0.55 8.42 8.19 2q43A12 LYS 285 HA -0.10 -0.03 0.30 -0.75 4.32 3.74 2q43A12 LYS 285 HB2 -0.06 -0.02 0.02 -0.04 1.87 1.76 2q43A12 LYS 285 HB3 -0.06 0.13 0.05 -0.04 1.79 1.87 2q43A12 LYS 285 HG2 -0.04 0.02 -0.38 -0.04 1.46 1.02 2q43A12 LYS 285 HG3 -0.03 -0.07 -0.04 -0.04 1.46 1.27 2q43A12 LYS 285 HD2 -0.03 0.03 -0.04 -0.04 1.69 1.61 2q43A12 LYS 285 HD3 -0.02 -0.01 -0.05 -0.04 1.68 1.57 2q43A12 LYS 285 HE2 -0.01 -0.01 -0.06 -0.04 2.99 2.87 2q43A12 LYS 285 HE3 -0.02 0.01 -0.07 -0.04 2.99 2.87 2q43A12 GLU 286 H -0.07 0.40 -0.39 -0.55 8.60 7.99 2q43A12 GLU 286 HA -0.04 -0.03 0.43 -0.75 4.29 3.90 2q43A12 GLU 286 HB2 -0.04 0.03 0.14 -0.04 2.09 2.18 2q43A12 GLU 286 HB3 -0.05 0.20 0.20 -0.04 1.99 2.30 2q43A12 GLU 286 HG2 -0.03 0.01 -0.36 -0.04 2.34 1.92 2q43A12 GLU 286 HG3 -0.02 -0.09 0.01 -0.04 2.34 2.20 2q43A12 VAL 287 H -0.08 0.60 -0.16 -0.55 8.24 8.06 2q43A12 VAL 287 HA -0.04 -0.01 0.38 -0.75 4.13 3.71 2q43A12 VAL 287 HB -0.11 0.12 0.11 -0.04 2.12 2.21 2q43A12 VAL 287 HG13 -0.06 -0.02 -0.29 -0.04 0.97 0.57 2q43A12 VAL 287 HG23 -0.06 0.05 -0.04 -0.04 0.95 0.86 2q43A12 ILE 288 H -0.08 0.53 -0.19 -0.55 8.25 7.95 2q43A12 ILE 288 HA -0.04 0.03 0.36 -0.75 4.18 3.78 2q43A12 ILE 288 HB -0.05 0.08 0.05 -0.04 1.89 1.93 2q43A12 ILE 288 HG12 -0.04 -0.04 -0.10 -0.04 1.49 1.27 2q43A12 ILE 288 HG13 -0.13 0.12 -0.03 -0.04 1.21 1.12 2q43A12 ILE 288 HG23 -0.01 -0.03 -0.23 -0.04 0.93 0.63 2q43A12 ILE 288 HD13 -0.13 -0.03 -0.22 -0.04 0.88 0.46 2q43A12 THR 289 H -0.04 0.66 -0.13 -0.55 8.28 8.22 2q43A12 THR 289 HA -0.01 -0.01 0.39 -0.75 4.39 4.01 2q43A12 THR 289 HB -0.02 0.03 0.18 -0.04 4.32 4.47 2q43A12 THR 289 HG23 -0.01 -0.02 -0.10 -0.04 1.22 1.05 2q43A12 LYS 290 H -0.02 1.03 0.09 -0.55 8.42 8.96 2q43A12 LYS 290 HA 0.01 -0.01 0.41 -0.75 4.32 3.97 2q43A12 LYS 290 HB2 -0.01 0.04 0.13 -0.04 1.87 1.99 2q43A12 LYS 290 HB3 -0.00 0.02 0.08 -0.04 1.79 1.84 2q43A12 LYS 290 HG2 0.01 -0.01 -0.11 -0.04 1.46 1.30 2q43A12 LYS 290 HG3 0.00 -0.04 0.03 -0.04 1.46 1.41 2q43A12 LYS 290 HD2 -0.01 -0.01 -0.02 -0.04 1.69 1.60 2q43A12 LYS 290 HD3 -0.00 0.02 -0.05 -0.04 1.68 1.61 2q43A12 LYS 290 HE2 0.00 0.00 -0.04 -0.04 2.99 2.91 2q43A12 LYS 290 HE3 -0.00 -0.02 -0.02 -0.04 2.99 2.90 2q43A12 GLN 291 H -0.00 0.51 -0.19 -0.55 8.47 8.23 2q43A12 GLN 291 HA 0.09 -0.02 0.29 -0.75 4.36 3.96 2q43A12 GLN 291 HB2 -0.03 0.29 0.15 -0.04 2.15 2.51 2q43A12 GLN 291 HB3 -0.10 -0.04 -0.11 -0.04 2.02 1.73 2q43A12 GLN 291 HG2 -0.01 0.03 0.05 -0.04 2.40 2.43 2q43A12 GLN 291 HG3 -0.04 -0.04 -0.13 -0.04 2.39 2.14 2q43A12 GLN 291 HE21 0.07 -0.03 -0.05 -0.04 6.97 6.92 2q43A12 GLN 291 HE22 0.03 0.00 -0.05 -0.04 7.69 7.63 2q43A12 ALA 292 H 0.00 0.51 -0.33 -0.55 8.40 8.03 2q43A12 ALA 292 HA 0.01 -0.05 0.28 -0.75 4.34 3.83 2q43A12 ALA 292 HB3 0.00 0.02 -0.16 -0.04 1.41 1.23 2q43A12 ALA 293 H 0.03 0.55 -0.12 -0.55 8.40 8.31 2q43A12 ALA 293 HA 0.02 0.02 0.42 -0.75 4.34 4.05 2q43A12 ALA 293 HB3 0.01 0.02 0.14 -0.04 1.41 1.54 2q43A12 VAL 294 H 0.09 0.49 -0.29 -0.55 8.24 7.98 2q43A12 VAL 294 HA -0.01 0.08 0.70 -0.75 4.13 4.15 2q43A12 VAL 294 HB -0.06 -0.07 0.16 -0.04 2.12 2.10 2q43A12 VAL 294 HG13 0.01 0.01 -0.01 -0.04 0.97 0.93 2q43A12 VAL 294 HG23 0.11 0.03 -0.04 -0.04 0.95 1.01 2q43A12 HIS 295 H 0.16 0.59 -0.34 -0.55 8.41 8.28 2q43A12 HIS 295 HA -0.00 0.14 0.89 -0.75 4.63 4.91 2q43A12 HIS 295 HB2 -0.00 0.10 0.08 -0.04 3.26 3.40 2q43A12 HIS 295 HB3 -0.00 -0.07 0.16 -0.04 3.20 3.24 2q43A12 HIS 295 HD2 -0.00 -0.11 -0.15 -0.04 6.97 6.66 2q43A12 HIS 295 HE1 -0.00 -0.05 -0.07 -0.04 7.75 7.58 2q43A12 ARG 296 H 0.03 0.28 -0.21 -0.55 8.46 8.01 2q43A12 ARG 296 HA 0.02 0.05 0.33 -0.75 4.34 3.98 2q43A12 ARG 296 HB2 0.02 0.14 0.01 -0.04 1.90 2.04 2q43A12 ARG 296 HB3 0.01 -0.12 0.25 -0.04 1.80 1.91 2q43A12 ARG 296 HG2 -0.00 -0.05 0.02 -0.04 1.67 1.60 2q43A12 ARG 296 HG3 -0.00 0.07 -0.01 -0.04 1.67 1.68 2q43A12 ARG 296 HD2 -0.02 0.00 -0.07 -0.04 3.22 3.09 2q43A12 ARG 296 HD3 -0.02 -0.00 -0.36 -0.04 3.22 2.79 2q43A12 CYS 297 H 0.05 0.53 -0.11 -0.55 8.50 8.43 2q43A12 CYS 297 HA 0.02 0.06 0.88 -0.75 4.58 4.80 2q43A12 CYS 297 HB2 0.04 0.02 -0.14 -0.04 2.97 2.86 2q43A12 CYS 297 HB3 0.02 0.06 -0.14 -0.04 2.97 2.86 2q43A12 ASN 298 H 0.01 0.83 0.27 -0.55 8.53 9.09 2q43A12 ASN 298 HA 0.01 0.11 0.71 -0.75 4.76 4.83 2q43A12 ASN 298 HB2 0.01 0.04 0.06 -0.04 2.88 2.95 2q43A12 ASN 298 HB3 0.01 -0.02 -0.00 -0.04 2.79 2.73 2q43A12 ASN 298 HD21 0.01 -0.05 -0.04 -0.04 7.03 6.91 2q43A12 ASN 298 HD22 0.01 0.02 -0.05 -0.04 7.74 7.68 2q43A12 ALA 299 H 0.01 0.20 0.16 -0.55 8.40 8.22 2q43A12 ALA 299 HA 0.00 0.29 1.01 -0.75 4.34 4.89 2q43A12 ALA 299 HB3 -0.00 -0.00 -0.10 -0.04 1.41 1.26 2q43A12 SER 300 H 0.01 0.67 0.23 -0.55 8.46 8.82 2q43A12 SER 300 HA 0.01 0.17 0.90 -0.75 4.49 4.82 2q43A12 SER 300 HB2 0.01 0.04 0.02 -0.04 3.95 3.98 2q43A12 SER 300 HB3 0.01 -0.03 0.30 -0.04 3.93 4.17 2q43A12 VAL 301 H 0.01 0.24 0.04 -0.55 8.24 7.98 2q43A12 VAL 301 HA 0.04 0.23 1.02 -0.75 4.13 4.66 2q43A12 VAL 301 HB 0.00 -0.00 0.05 -0.04 2.12 2.13 2q43A12 VAL 301 HG13 0.01 -0.02 -0.21 -0.04 0.97 0.71 2q43A12 VAL 301 HG23 -0.00 0.02 -0.15 -0.04 0.95 0.77 2q43A12 ASN 302 H 0.06 0.75 0.35 -0.55 8.53 9.15 2q43A12 ASN 302 HA 0.03 0.15 0.92 -0.75 4.76 5.11 2q43A12 ASN 302 HB2 0.03 0.06 -0.07 -0.04 2.88 2.86 2q43A12 ASN 302 HB3 0.04 -0.01 0.20 -0.04 2.79 2.97 2q43A12 ASN 302 HD21 0.01 0.04 -0.09 -0.04 7.03 6.95 2q43A12 ASN 302 HD22 0.01 0.04 -0.06 -0.04 7.74 7.69 2q43A12 LEU 303 H 0.04 0.21 0.05 -0.55 8.37 8.13 2q43A12 LEU 303 HA 0.09 0.15 0.67 -0.75 4.35 4.52 2q43A12 LEU 303 HB2 0.04 0.01 0.03 -0.04 1.64 1.68 2q43A12 LEU 303 HB3 0.05 0.03 0.16 -0.04 1.64 1.83 2q43A12 LEU 303 HG 0.01 -0.03 -0.07 -0.04 1.64 1.51 2q43A12 LEU 303 HD13 -0.01 -0.00 -0.08 -0.04 0.93 0.79 2q43A12 LEU 303 HD23 -0.01 -0.00 -0.14 -0.04 0.89 0.70 2q43A12 THR 304 H 0.04 -0.09 -0.65 -0.55 8.28 7.03 2q43A12 THR 304 HA 0.05 0.46 0.35 -0.75 4.39 4.49 2q43A12 THR 304 HB 0.02 -0.05 -0.12 -0.04 4.32 4.14 2q43A12 THR 304 HG23 0.04 0.00 -0.24 -0.04 1.22 0.99 2q43A12 PRO 305 HA 0.01 -0.06 0.37 -0.51 4.44 4.26 2q43A12 PRO 305 HB2 -0.01 0.05 -0.09 -0.04 2.28 2.19 2q43A12 PRO 305 HB3 0.01 0.02 0.07 -0.04 2.02 2.08 2q43A12 PRO 305 HG2 0.01 0.04 -0.09 -0.04 2.03 1.95 2q43A12 PRO 305 HG3 -0.00 -0.01 -0.30 -0.04 2.03 1.67 2q43A12 PRO 305 HD2 0.05 0.36 -0.18 -0.04 3.68 3.88 2q43A12 PRO 305 HD3 0.07 0.34 0.04 -0.04 3.65 4.05 2q43A12 ASN 306 H 0.00 0.10 0.17 -0.55 8.53 8.26 2q43A12 ASN 306 HA -0.00 0.01 0.34 -0.75 4.76 4.35 2q43A12 ASN 306 HB2 -0.00 0.15 -0.13 -0.04 2.88 2.85 2q43A12 ASN 306 HB3 -0.00 0.01 0.16 -0.04 2.79 2.92 2q43A12 ASN 306 HD21 -0.01 0.01 -0.01 -0.04 7.03 6.98 2q43A12 ASN 306 HD22 -0.00 0.02 0.06 -0.04 7.74 7.77 2q43A12 GLY 307 H 0.01 0.22 -0.20 -0.55 8.43 7.91 2q43A12 GLY 307 HA2 0.00 -0.02 0.25 -0.51 4.01 3.73 2q43A12 GLY 307 HA3 -0.00 -0.00 0.36 -0.51 4.01 3.85 2q43A12 ARG 308 H 0.01 0.65 -0.74 -0.55 8.46 7.83 2q43A12 ARG 308 HA 0.01 0.08 0.61 -0.75 4.34 4.29 2q43A12 ARG 308 HB2 0.01 0.21 0.02 -0.04 1.90 2.10 2q43A12 ARG 308 HB3 0.02 -0.07 0.02 -0.04 1.80 1.73 2q43A12 ARG 308 HG2 0.02 -0.01 -0.03 -0.04 1.67 1.60 2q43A12 ARG 308 HG3 0.01 0.06 -0.09 -0.04 1.67 1.61 2q43A12 ARG 308 HD2 0.00 -0.05 -0.06 -0.04 3.22 3.07 2q43A12 ARG 308 HD3 0.00 -0.05 -0.05 -0.04 3.22 3.08 2q43A12 GLU 309 H 0.01 0.25 0.14 -0.55 8.60 8.46 2q43A12 GLU 309 HA 0.05 0.07 0.50 -0.75 4.29 4.15 2q43A12 GLU 309 HB2 0.00 -0.03 0.15 -0.04 2.09 2.17 2q43A12 GLU 309 HB3 0.04 0.06 0.08 -0.04 1.99 2.12 2q43A12 GLU 309 HG2 0.00 0.01 -0.02 -0.04 2.34 2.30 2q43A12 GLU 309 HG3 -0.02 -0.02 0.05 -0.04 2.34 2.31 2q43A12 PRO 310 HA 0.06 0.14 0.64 -0.51 4.44 4.77 2q43A12 PRO 310 HB2 -0.06 -0.03 -0.03 -0.04 2.28 2.12 2q43A12 PRO 310 HB3 0.24 -0.06 0.16 -0.04 2.02 2.32 2q43A12 PRO 310 HG2 0.10 -0.02 -0.03 -0.04 2.03 2.04 2q43A12 PRO 310 HG3 0.32 -0.00 0.05 -0.04 2.03 2.36 2q43A12 PRO 310 HD2 0.09 0.01 0.26 -0.04 3.68 4.00 2q43A12 PRO 310 HD3 0.12 0.33 0.31 -0.04 3.65 4.37 2q43A12 MET 311 H -0.18 0.56 0.29 -0.55 8.47 8.59 2q43A12 MET 311 HA -0.19 0.18 0.85 -0.75 4.52 4.60 2q43A12 MET 311 HB2 -0.28 0.05 0.03 -0.04 2.15 1.91 2q43A12 MET 311 HB3 -0.29 -0.08 0.27 -0.04 2.03 1.89 2q43A12 MET 311 HG2 -0.54 0.23 -0.12 -0.04 2.63 2.17 2q43A12 MET 311 HG3 -1.55 -0.02 -0.00 -0.04 2.56 0.94 2q43A12 MET 311 HE3 -0.26 0.03 -0.02 -0.04 2.10 1.81 2q43A12 PRO 312 HA -0.62 -0.01 0.41 -0.51 4.44 3.71 2q43A12 PRO 312 HB2 -0.14 0.09 0.12 -0.04 2.28 2.31 2q43A12 PRO 312 HB3 -0.17 -0.06 0.09 -0.04 2.02 1.83 2q43A12 PRO 312 HG2 -0.15 0.13 -0.02 -0.04 2.03 1.95 2q43A12 PRO 312 HG3 -0.06 0.03 0.04 -0.04 2.03 2.00 2q43A12 PRO 312 HD2 -0.18 0.07 0.13 -0.04 3.68 3.65 2q43A12 PRO 312 HD3 -0.08 0.16 0.05 -0.04 3.65 3.74 2q43A12 PRO 313 HA -0.16 0.19 0.43 -0.51 4.44 4.39 2q43A12 PRO 313 HB2 0.01 -0.07 -0.00 -0.04 2.28 2.17 2q43A12 PRO 313 HB3 0.04 0.06 0.21 -0.04 2.02 2.29 2q43A12 PRO 313 HG2 0.04 0.02 -0.06 -0.04 2.03 1.98 2q43A12 PRO 313 HG3 -0.04 0.16 0.16 -0.04 2.03 2.27 2q43A12 PRO 313 HD2 -0.09 0.08 0.18 -0.04 3.68 3.81 2q43A12 PRO 313 HD3 -0.27 0.02 0.21 -0.04 3.65 3.57 2q43A12 THR 314 H -0.09 0.66 0.31 -0.55 8.28 8.62 2q43A12 THR 314 HA -0.05 0.13 0.69 -0.75 4.39 4.40 2q43A12 THR 314 HB -0.16 -0.16 0.25 -0.04 4.32 4.21 2q43A12 THR 314 HG23 0.02 -0.00 -0.20 -0.04 1.22 1.00 2q43A12 VAL 315 H 0.02 0.26 0.09 -0.55 8.24 8.07 2q43A12 VAL 315 HA 0.08 0.30 0.75 -0.75 4.13 4.50 2q43A12 VAL 315 HB 0.03 0.09 0.04 -0.04 2.12 2.23 2q43A12 VAL 315 HG13 0.03 -0.07 -0.26 -0.04 0.97 0.63 2q43A12 VAL 315 HG23 0.03 0.01 -0.23 -0.04 0.95 0.72 2q43A12 ASN 316 H 0.06 0.70 0.23 -0.55 8.53 8.97 2q43A12 ASN 316 HA 0.06 0.27 0.94 -0.75 4.76 5.27 2q43A12 ASN 316 HB2 -0.07 0.10 0.28 -0.04 2.88 3.15 2q43A12 ASN 316 HB3 0.05 -0.01 0.13 -0.04 2.79 2.93 2q43A12 ASN 316 HD21 -0.31 0.35 0.24 -0.04 7.03 7.27 2q43A12 ASN 316 HD22 -0.35 0.13 0.26 -0.04 7.74 7.74 2q43A12 ASN 317 H 0.07 0.60 0.36 -0.55 8.53 9.02 2q43A12 ASN 317 HA 0.06 0.02 0.47 -0.75 4.76 4.55 2q43A12 ASN 317 HB2 0.04 0.08 0.26 -0.04 2.88 3.22 2q43A12 ASN 317 HB3 0.06 -0.03 0.16 -0.04 2.79 2.94 2q43A12 ASN 317 HD21 0.05 0.04 0.08 -0.04 7.03 7.17 2q43A12 ASN 317 HD22 0.04 0.09 0.11 -0.04 7.74 7.94 2q43A12 LYS 318 H 0.06 0.17 0.28 -0.55 8.42 8.38 2q43A12 LYS 318 HA 0.13 0.07 0.45 -0.75 4.32 4.22 2q43A12 LYS 318 HB2 0.05 0.04 0.20 -0.04 1.87 2.12 2q43A12 LYS 318 HB3 0.07 -0.03 0.20 -0.04 1.79 1.98 2q43A12 LYS 318 HG2 0.06 0.04 0.02 -0.04 1.46 1.54 2q43A12 LYS 318 HG3 0.10 0.02 -0.21 -0.04 1.46 1.32 2q43A12 LYS 318 HD2 0.21 -0.05 0.09 -0.04 1.69 1.90 2q43A12 LYS 318 HD3 0.04 -0.01 0.07 -0.04 1.68 1.75 2q43A12 LYS 318 HE2 0.06 0.02 0.01 -0.04 2.99 3.04 2q43A12 LYS 318 HE3 0.10 0.02 -0.02 -0.04 2.99 3.05 2q43A12 ASP 319 H 0.10 0.12 -0.05 -0.55 8.40 8.02 2q43A12 ASP 319 HA 0.10 0.09 0.50 -0.75 4.63 4.57 2q43A12 ASP 319 HB2 0.10 -0.02 0.09 -0.04 2.71 2.84 2q43A12 ASP 319 HB3 0.10 0.09 -0.02 -0.04 2.70 2.83 2q43A12 LEU 320 H 0.13 0.09 -0.29 -0.55 8.37 7.76 2q43A12 LEU 320 HA 0.22 0.10 0.44 -0.75 4.35 4.36 2q43A12 LEU 320 HB2 0.09 0.10 -0.01 -0.04 1.64 1.78 2q43A12 LEU 320 HB3 -0.13 0.01 -0.05 -0.04 1.64 1.43 2q43A12 LEU 320 HG 0.05 -0.10 -0.00 -0.04 1.64 1.54 2q43A12 LEU 320 HD13 -0.32 0.04 -0.25 -0.04 0.93 0.36 2q43A12 LEU 320 HD23 0.18 0.03 -0.08 -0.04 0.89 0.98 2q43A12 TYR 321 H 0.28 0.44 -0.32 -0.55 8.29 8.14 2q43A12 TYR 321 HA 0.09 0.03 0.41 -0.75 4.56 4.33 2q43A12 TYR 321 HB2 0.21 0.05 -0.06 -0.04 3.06 3.21 2q43A12 TYR 321 HB3 0.10 0.14 0.11 -0.04 2.98 3.28 2q43A12 TYR 321 HD2 0.15 0.04 -0.13 -0.04 7.15 7.17 2q43A12 TYR 321 HE2 0.24 0.06 -0.26 -0.04 6.85 6.85 2q43A12 LYS 322 H 0.11 0.43 -0.09 -0.55 8.42 8.31 2q43A12 LYS 322 HA -0.34 0.02 0.39 -0.75 4.32 3.63 2q43A12 LYS 322 HB2 0.02 0.12 0.15 -0.04 1.87 2.11 2q43A12 LYS 322 HB3 -0.06 -0.01 -0.01 -0.04 1.79 1.68 2q43A12 LYS 322 HG2 0.01 -0.03 0.03 -0.04 1.46 1.42 2q43A12 LYS 322 HG3 0.12 0.17 0.09 -0.04 1.46 1.81 2q43A12 LYS 322 HD2 0.04 0.01 0.02 -0.04 1.69 1.72 2q43A12 LYS 322 HD3 0.01 0.00 -0.00 -0.04 1.68 1.65 2q43A12 LYS 322 HE2 0.06 -0.01 -0.02 -0.04 2.99 2.98 2q43A12 LYS 322 HE3 0.08 -0.04 -0.09 -0.04 2.99 2.90 2q43A12 GLN 323 H 0.04 0.41 -0.22 -0.55 8.47 8.14 2q43A12 GLN 323 HA -0.03 0.03 0.32 -0.75 4.36 3.92 2q43A12 GLN 323 HB2 0.18 0.12 0.07 -0.04 2.15 2.47 2q43A12 GLN 323 HB3 0.08 -0.01 -0.06 -0.04 2.02 2.00 2q43A12 GLN 323 HG2 0.05 -0.02 -0.01 -0.04 2.40 2.38 2q43A12 GLN 323 HG3 0.10 0.17 0.08 -0.04 2.39 2.71 2q43A12 GLN 323 HE21 0.37 0.00 -0.07 -0.04 6.97 7.23 2q43A12 GLN 323 HE22 0.20 0.01 -0.15 -0.04 7.69 7.71 2q43A12 PHE 324 H 0.05 0.40 -0.33 -0.55 8.34 7.90 2q43A12 PHE 324 HA -0.14 0.00 0.33 -0.75 4.62 4.06 2q43A12 PHE 324 HB2 -0.49 0.07 0.07 -0.04 3.15 2.76 2q43A12 PHE 324 HB3 -0.27 0.16 0.11 -0.04 3.06 3.03 2q43A12 PHE 324 HD2 0.06 0.03 -0.15 -0.04 7.28 7.19 2q43A12 PHE 324 HE2 0.22 -0.02 -0.18 -0.04 7.38 7.36 2q43A12 PHE 324 HZ 0.08 -0.03 -0.11 -0.04 7.32 7.22 2q43A12 LYS 325 H -0.30 0.55 -0.11 -0.55 8.42 8.00 2q43A12 LYS 325 HA -0.60 -0.02 0.34 -0.75 4.32 3.29 2q43A12 LYS 325 HB2 -0.53 0.12 0.11 -0.04 1.87 1.52 2q43A12 LYS 325 HB3 -0.67 -0.03 -0.02 -0.04 1.79 1.04 2q43A12 LYS 325 HG2 -2.43 -0.05 -0.05 -0.04 1.46 -1.11 2q43A12 LYS 325 HG3 -1.21 0.18 -0.01 -0.04 1.46 0.38 2q43A12 LYS 325 HD2 -0.85 0.00 -0.05 -0.04 1.69 0.75 2q43A12 LYS 325 HD3 -0.80 -0.03 -0.09 -0.04 1.68 0.71 2q43A12 LYS 325 HE2 -0.83 -0.02 -0.10 -0.04 2.99 2.00 2q43A12 LYS 325 HE3 -0.43 0.03 -0.02 -0.04 2.99 2.54 2q43A12 LYS 326 H -0.23 0.56 -0.28 -0.55 8.42 7.91 2q43A12 LYS 326 HA -0.15 -0.03 0.37 -0.75 4.32 3.75 2q43A12 LYS 326 HB2 -0.11 0.15 0.17 -0.04 1.87 2.04 2q43A12 LYS 326 HB3 -0.10 -0.05 -0.02 -0.04 1.79 1.58 2q43A12 LYS 326 HG2 -0.11 -0.07 -0.01 -0.04 1.46 1.22 2q43A12 LYS 326 HG3 -0.15 0.28 0.03 -0.04 1.46 1.58 2q43A12 LYS 326 HD2 -0.06 -0.04 -0.18 -0.04 1.69 1.37 2q43A12 LYS 326 HD3 -0.06 0.00 -0.05 -0.04 1.68 1.52 2q43A12 LYS 326 HE2 -0.07 -0.02 -0.04 -0.04 2.99 2.83 2q43A12 LYS 326 HE3 -0.07 -0.03 -0.07 -0.04 2.99 2.77 2q43A12 VAL 327 H -0.18 0.89 0.03 -0.55 8.24 8.44 2q43A12 VAL 327 HA -0.12 -0.01 0.38 -0.75 4.13 3.62 2q43A12 VAL 327 HB -0.21 0.07 0.11 -0.04 2.12 2.05 2q43A12 VAL 327 HG13 -0.14 -0.02 -0.20 -0.04 0.97 0.56 2q43A12 VAL 327 HG23 -0.09 0.00 -0.10 -0.04 0.95 0.72 2q43A12 VAL 328 H -0.40 0.83 -0.15 -0.55 8.24 7.97 2q43A12 VAL 328 HA -0.24 -0.06 0.34 -0.75 4.13 3.41 2q43A12 VAL 328 HB -0.35 0.09 0.10 -0.04 2.12 1.93 2q43A12 VAL 328 HG13 -0.07 -0.01 -0.25 -0.04 0.97 0.60 2q43A12 VAL 328 HG23 -1.02 0.01 -0.06 -0.04 0.95 -0.16 2q43A12 ARG 329 H -0.17 0.69 -0.09 -0.55 8.46 8.33 2q43A12 ARG 329 HA -0.06 0.09 0.32 -0.75 4.34 3.94 2q43A12 ARG 329 HB2 -0.11 0.07 0.13 -0.04 1.90 1.95 2q43A12 ARG 329 HB3 -0.06 -0.08 -0.08 -0.04 1.80 1.53 2q43A12 ARG 329 HG2 -0.02 0.13 0.10 -0.04 1.67 1.83 2q43A12 ARG 329 HG3 -0.07 -0.06 0.06 -0.04 1.67 1.56 2q43A12 ARG 329 HD2 -0.16 0.01 -0.12 -0.04 3.22 2.90 2q43A12 ARG 329 HD3 -0.07 -0.06 -0.01 -0.04 3.22 3.04 2q43A12 ASP 330 H -0.09 0.58 -0.09 -0.55 8.40 8.25 2q43A12 ASP 330 HA -0.05 -0.06 0.26 -0.75 4.63 4.03 2q43A12 ASP 330 HB2 -0.07 0.04 0.13 -0.04 2.71 2.77 2q43A12 ASP 330 HB3 -0.05 -0.06 -0.04 -0.04 2.70 2.52 2q43A12 LEU 331 H -0.07 0.50 -0.22 -0.55 8.37 8.02 2q43A12 LEU 331 HA -0.02 -0.05 0.36 -0.75 4.35 3.89 2q43A12 LEU 331 HB2 -0.05 0.00 0.10 -0.04 1.64 1.65 2q43A12 LEU 331 HB3 -0.07 -0.04 0.20 -0.04 1.64 1.70 2q43A12 LEU 331 HG 0.02 0.03 -0.15 -0.04 1.64 1.50 2q43A12 LEU 331 HD13 0.01 -0.03 -0.04 -0.04 0.93 0.83 2q43A12 LEU 331 HD23 -0.01 -0.03 -0.17 -0.04 0.89 0.64 2q43A12 LEU 332 H -0.05 0.19 0.11 -0.55 8.37 8.07 2q43A12 LEU 332 HA 0.01 -0.07 0.37 -0.75 4.35 3.92 2q43A12 LEU 332 HB2 -0.07 0.02 0.17 -0.04 1.64 1.72 2q43A12 LEU 332 HB3 -0.10 -0.04 0.03 -0.04 1.64 1.49 2q43A12 LEU 332 HG -0.06 -0.02 0.16 -0.04 1.64 1.67 2q43A12 LEU 332 HD13 -0.11 0.03 0.01 -0.04 0.93 0.81 2q43A12 LEU 332 HD23 0.02 -0.01 0.03 -0.04 0.89 0.89 2q43A12 GLY 333 H -0.05 0.33 0.11 -0.55 8.43 8.28 2q43A12 GLY 333 HA2 -0.02 0.13 0.34 -0.51 4.01 3.95 2q43A12 GLY 333 HA3 -0.03 -0.01 0.43 -0.51 4.01 3.89 2q43A12 GLN 334 H -0.01 0.16 0.13 -0.55 8.47 8.20 2q43A12 GLN 334 HA -0.01 0.10 0.37 -0.75 4.36 4.06 2q43A12 GLN 334 HB2 -0.01 0.03 0.16 -0.04 2.15 2.29 2q43A12 GLN 334 HB3 -0.00 -0.07 0.11 -0.04 2.02 2.01 2q43A12 GLN 334 HG2 -0.00 -0.01 0.00 -0.04 2.40 2.35 2q43A12 GLN 334 HG3 0.00 0.02 -0.13 -0.04 2.39 2.23 2q43A12 GLN 334 HE21 -0.02 0.01 0.01 -0.04 6.97 6.92 2q43A12 GLN 334 HE22 -0.01 -0.01 0.01 -0.04 7.69 7.65 2q43A12 GLU 335 H -0.01 0.08 -0.11 -0.55 8.60 8.02 2q43A12 GLU 335 HA 0.02 0.22 0.74 -0.75 4.29 4.52 2q43A12 GLU 335 HB2 -0.01 -0.00 0.01 -0.04 2.09 2.05 2q43A12 GLU 335 HB3 -0.00 0.04 0.15 -0.04 1.99 2.13 2q43A12 GLU 335 HG2 0.00 -0.07 -0.01 -0.04 2.34 2.22 2q43A12 GLU 335 HG3 0.00 0.01 0.01 -0.04 2.34 2.32 2q43A12 ALA 336 H -0.01 0.47 -0.57 -0.55 8.40 7.74 2q43A12 ALA 336 HA -0.05 0.07 0.41 -0.75 4.34 4.02 2q43A12 ALA 336 HB3 -0.07 0.04 -0.01 -0.04 1.41 1.34 2q43A12 PHE 337 H 0.11 0.17 -0.35 -0.55 8.34 7.72 2q43A12 PHE 337 HA -0.01 0.13 0.94 -0.75 4.62 4.93 2q43A12 PHE 337 HB2 -0.09 -0.02 -0.01 -0.04 3.15 3.00 2q43A12 PHE 337 HB3 -0.04 0.02 0.09 -0.04 3.06 3.10 2q43A12 PHE 337 HD2 0.05 -0.03 -0.17 -0.04 7.28 7.08 2q43A12 PHE 337 HE2 0.30 -0.08 -0.17 -0.04 7.38 7.39 2q43A12 PHE 337 HZ 0.43 0.05 -0.15 -0.04 7.32 7.61 2q43A12 VAL 338 H -0.59 0.98 0.46 -0.55 8.24 8.53 2q43A12 VAL 338 HA -0.26 0.15 0.99 -0.75 4.13 4.26 2q43A12 VAL 338 HB -0.13 -0.03 0.08 -0.04 2.12 2.00 2q43A12 VAL 338 HG13 -0.13 0.07 -0.11 -0.04 0.97 0.76 2q43A12 VAL 338 HG23 -0.16 0.01 -0.26 -0.04 0.95 0.50 2q43A12 GLU 339 H -0.15 0.13 0.16 -0.55 8.60 8.19 2q43A12 GLU 339 HA -0.09 0.29 0.76 -0.75 4.29 4.50 2q43A12 GLU 339 HB2 0.11 -0.02 0.12 -0.04 2.09 2.27 2q43A12 GLU 339 HB3 -0.00 -0.04 0.14 -0.04 1.99 2.05 2q43A12 GLU 339 HG2 0.03 -0.05 -0.03 -0.04 2.34 2.25 2q43A12 GLU 339 HG3 -0.01 0.11 -0.21 -0.04 2.34 2.19 2q43A12 ALA 340 H -0.15 0.46 0.08 -0.55 8.40 8.24 2q43A12 ALA 340 HA -0.02 0.04 0.52 -0.75 4.34 4.12 2q43A12 ALA 340 HB3 -0.15 -0.03 -0.19 -0.04 1.41 1.00 2q43A12 ALA 341 H 0.03 0.08 0.13 -0.55 8.40 8.10 2q43A12 ALA 341 HA -0.01 0.03 0.37 -0.75 4.34 3.97 2q43A12 ALA 341 HB3 0.01 -0.01 0.09 -0.04 1.41 1.46 2q43A12 PRO 342 HA 0.09 0.26 0.48 -0.51 4.44 4.76 2q43A12 PRO 342 HB2 -0.76 -0.03 -0.14 -0.04 2.28 1.31 2q43A12 PRO 342 HB3 -1.29 0.03 -0.06 -0.04 2.02 0.66 2q43A12 PRO 342 HG2 -0.36 -0.13 -0.10 -0.04 2.03 1.40 2q43A12 PRO 342 HG3 -0.24 0.14 0.04 -0.04 2.03 1.93 2q43A12 PRO 342 HD2 -0.12 0.04 0.17 -0.04 3.68 3.72 2q43A12 PRO 342 HD3 -0.08 0.11 0.20 -0.04 3.65 3.84 2q43A12 VAL 343 H 0.14 0.67 0.36 -0.55 8.24 8.86 2q43A12 VAL 343 HA 0.10 0.16 0.88 -0.75 4.13 4.52 2q43A12 VAL 343 HB -0.23 -0.07 0.14 -0.04 2.12 1.91 2q43A12 VAL 343 HG13 -0.05 -0.02 -0.22 -0.04 0.97 0.64 2q43A12 VAL 343 HG23 -0.06 0.03 -0.16 -0.04 0.95 0.72 2q43A12 MET 344 H 0.17 0.22 0.02 -0.55 8.47 8.33 2q43A12 MET 344 HA -0.16 0.05 0.61 -0.75 4.52 4.27 2q43A12 MET 344 HB2 0.19 0.04 0.04 -0.04 2.15 2.38 2q43A12 MET 344 HB3 0.06 -0.00 0.18 -0.04 2.03 2.23 2q43A12 MET 344 HG2 -0.00 0.01 -0.04 -0.04 2.63 2.55 2q43A12 MET 344 HG3 -0.06 -0.01 -0.10 -0.04 2.56 2.35 2q43A12 MET 344 HE3 -0.02 0.03 -0.20 -0.04 2.10 1.87 2q43A12 GLY 345 H -0.15 0.46 0.23 -0.55 8.43 8.43 2q43A12 GLY 345 HA2 -0.10 0.05 0.42 -0.51 4.01 3.88 2q43A12 GLY 345 HA3 -0.09 0.01 0.21 -0.51 4.01 3.63 2q43A12 SER 346 H -0.10 0.09 0.10 -0.55 8.46 8.00 2q43A12 SER 346 HA -0.17 0.34 0.69 -0.75 4.49 4.60 2q43A12 SER 346 HB2 -0.07 -0.04 0.05 -0.04 3.95 3.85 2q43A12 SER 346 HB3 -0.10 -0.05 -0.03 -0.04 3.93 3.71 2q43A12 GLU 347 H -0.19 0.35 0.02 -0.55 8.60 8.23 2q43A12 GLU 347 HA -0.09 0.05 0.57 -0.75 4.29 4.06 2q43A12 GLU 347 HB2 -0.35 0.18 -0.16 -0.04 2.09 1.71 2q43A12 GLU 347 HB3 -0.39 0.08 0.03 -0.04 1.99 1.67 2q43A12 GLU 347 HG2 -1.30 0.10 -0.08 -0.04 2.34 1.01 2q43A12 GLU 347 HG3 -0.28 -0.22 -0.16 -0.04 2.34 1.64 2q43A12 ASP 348 H -0.03 0.23 0.10 -0.55 8.40 8.16 2q43A12 ASP 348 HA -0.23 0.22 0.47 -0.75 4.63 4.34 2q43A12 ASP 348 HB2 -0.02 0.23 0.14 -0.04 2.71 3.01 2q43A12 ASP 348 HB3 -0.01 0.12 0.22 -0.04 2.70 2.98 2q43A12 PHE 349 H 0.07 0.09 -0.80 -0.55 8.34 7.14 2q43A12 PHE 349 HA 0.23 0.06 0.37 -0.75 4.62 4.53 2q43A12 PHE 349 HB2 0.06 -0.03 -0.04 -0.04 3.15 3.09 2q43A12 PHE 349 HB3 -0.26 0.10 -0.15 -0.04 3.06 2.71 2q43A12 PHE 349 HD2 0.14 0.01 -0.13 -0.04 7.28 7.26 2q43A12 PHE 349 HE2 0.01 0.02 -0.24 -0.04 7.38 7.13 2q43A12 PHE 349 HZ -0.00 0.07 -0.34 -0.04 7.32 7.01 2q43A12 SER 350 H -0.18 0.10 -0.64 -0.55 8.46 7.19 2q43A12 SER 350 HA -0.13 0.05 0.47 -0.75 4.49 4.13 2q43A12 SER 350 HB2 -0.26 0.09 0.04 -0.04 3.95 3.78 2q43A12 SER 350 HB3 -0.51 -0.07 -0.01 -0.04 3.93 3.29 2q43A12 TYR 351 H -0.24 0.32 -0.24 -0.55 8.29 7.58 2q43A12 TYR 351 HA -0.14 0.20 0.61 -0.75 4.56 4.49 2q43A12 TYR 351 HB2 -0.29 -0.07 -0.07 -0.04 3.06 2.59 2q43A12 TYR 351 HB3 -0.21 0.04 0.02 -0.04 2.98 2.80 2q43A12 TYR 351 HD2 -0.12 -0.10 0.03 -0.04 7.15 6.92 2q43A12 TYR 351 HE2 -0.08 0.16 0.11 -0.04 6.85 7.00 2q43A12 PHE 352 H -0.16 0.17 -0.52 -0.55 8.34 7.28 2q43A12 PHE 352 HA -0.12 0.18 0.57 -0.75 4.62 4.50 2q43A12 PHE 352 HB2 -0.84 0.05 0.09 -0.04 3.15 2.41 2q43A12 PHE 352 HB3 -0.40 0.08 -0.17 -0.04 3.06 2.52 2q43A12 PHE 352 HD2 -0.36 0.02 -0.07 -0.04 7.28 6.83 2q43A12 PHE 352 HE2 0.04 -0.02 -0.14 -0.04 7.38 7.22 2q43A12 PHE 352 HZ 0.03 -0.00 -0.11 -0.04 7.32 7.19 2q43A12 ALA 353 H -0.20 0.23 0.03 -0.55 8.40 7.91 2q43A12 ALA 353 HA -0.04 0.53 0.48 -0.75 4.34 4.55 2q43A12 ALA 353 HB3 -0.00 -0.02 0.17 -0.04 1.41 1.52 2q43A12 GLU 354 H -0.02 0.06 -0.71 -0.55 8.60 7.38 2q43A12 GLU 354 HA -0.01 0.05 0.58 -0.75 4.29 4.16 2q43A12 GLU 354 HB2 -0.02 0.24 0.14 -0.04 2.09 2.42 2q43A12 GLU 354 HB3 0.03 0.00 -0.02 -0.04 1.99 1.97 2q43A12 GLU 354 HG2 0.01 -0.01 -0.08 -0.04 2.34 2.23 2q43A12 GLU 354 HG3 -0.00 -0.05 0.06 -0.04 2.34 2.31 2q43A12 THR 355 H 0.02 0.25 -0.33 -0.55 8.28 7.67 2q43A12 THR 355 HA 0.02 0.13 0.69 -0.75 4.39 4.47 2q43A12 THR 355 HB 0.03 0.08 0.07 -0.04 4.32 4.46 2q43A12 THR 355 HG23 0.01 -0.02 0.10 -0.04 1.22 1.27 2q43A12 ILE 356 H 0.01 0.23 -0.30 -0.55 8.25 7.64 2q43A12 ILE 356 HA 0.02 0.04 0.25 -0.75 4.18 3.74 2q43A12 ILE 356 HB 0.01 0.01 -0.17 -0.04 1.89 1.69 2q43A12 ILE 356 HG12 0.05 0.03 -0.18 -0.04 1.49 1.35 2q43A12 ILE 356 HG13 0.04 -0.14 -0.90 -0.04 1.21 0.17 2q43A12 ILE 356 HG23 0.04 0.07 0.19 -0.04 0.93 1.19 2q43A12 ILE 356 HD13 0.01 -0.07 -0.39 -0.04 0.88 0.39 2q43A12 PRO 357 HA 0.01 -0.04 0.55 -0.51 4.44 4.45 2q43A12 PRO 357 HB2 -0.02 0.08 0.31 -0.04 2.28 2.61 2q43A12 PRO 357 HB3 0.02 -0.12 0.18 -0.04 2.02 2.06 2q43A12 PRO 357 HG2 0.05 0.16 0.19 -0.04 2.03 2.39 2q43A12 PRO 357 HG3 0.04 -0.05 0.14 -0.04 2.03 2.12 2q43A12 PRO 357 HD2 0.03 0.24 0.13 -0.04 3.68 4.04 2q43A12 PRO 357 HD3 0.03 0.11 0.17 -0.04 3.65 3.92 2q43A12 GLY 358 H 0.00 0.18 0.45 -0.55 8.43 8.51 2q43A12 GLY 358 HA2 -0.09 0.31 1.14 -0.51 4.01 4.87 2q43A12 GLY 358 HA3 0.01 -0.05 0.39 -0.51 4.01 3.85 2q43A12 HIS 359 H 0.08 0.60 0.37 -0.55 8.41 8.92 2q43A12 HIS 359 HA 0.05 0.05 0.86 -0.75 4.63 4.84 2q43A12 HIS 359 HB2 -0.23 -0.03 -0.15 -0.04 3.26 2.80 2q43A12 HIS 359 HB3 -0.53 0.02 0.12 -0.04 3.20 2.77 2q43A12 HIS 359 HD2 -0.04 -0.05 -0.28 -0.04 6.97 6.55 2q43A12 HIS 359 HE1 0.09 -0.03 -0.05 -0.04 7.75 7.72 2q43A12 PHE 360 H -0.15 0.22 0.13 -0.55 8.34 7.98 2q43A12 PHE 360 HA -0.36 0.19 0.94 -0.75 4.62 4.63 2q43A12 PHE 360 HB2 -0.20 -0.04 -0.10 -0.04 3.15 2.76 2q43A12 PHE 360 HB3 0.04 0.01 0.04 -0.04 3.06 3.12 2q43A12 PHE 360 HD2 -0.68 -0.01 -0.19 -0.04 7.28 6.36 2q43A12 PHE 360 HE2 -0.21 -0.03 -0.16 -0.04 7.38 6.94 2q43A12 PHE 360 HZ -0.13 -0.04 -0.11 -0.04 7.32 7.01 2q43A12 SER 361 H -0.68 0.49 0.34 -0.55 8.46 8.06 2q43A12 SER 361 HA -0.23 0.30 1.08 -0.75 4.49 4.89 2q43A12 SER 361 HB2 -0.25 -0.02 0.00 -0.04 3.95 3.64 2q43A12 SER 361 HB3 -0.78 -0.02 -0.18 -0.04 3.93 2.92 2q43A12 LEU 362 H -0.02 0.83 0.42 -0.55 8.37 9.05 2q43A12 LEU 362 HA -0.03 0.26 0.97 -0.75 4.35 4.80 2q43A12 LEU 362 HB2 0.06 -0.02 0.13 -0.04 1.64 1.77 2q43A12 LEU 362 HB3 0.08 -0.06 -0.03 -0.04 1.64 1.59 2q43A12 LEU 362 HG 0.35 0.09 -0.08 -0.04 1.64 1.96 2q43A12 LEU 362 HD13 0.21 -0.01 -0.11 -0.04 0.93 0.97 2q43A12 LEU 362 HD23 0.14 0.01 -0.20 -0.04 0.89 0.80 2q43A12 LEU 363 H -0.01 0.42 0.15 -0.55 8.37 8.39 2q43A12 LEU 363 HA -0.02 0.36 0.93 -0.75 4.35 4.86 2q43A12 LEU 363 HB2 -0.03 -0.03 -0.07 -0.04 1.64 1.47 2q43A12 LEU 363 HB3 -0.04 -0.13 0.05 -0.04 1.64 1.48 2q43A12 LEU 363 HG -0.12 0.03 -0.16 -0.04 1.64 1.35 2q43A12 LEU 363 HD13 -0.10 0.11 -0.12 -0.04 0.93 0.78 2q43A12 LEU 363 HD23 -0.03 -0.03 -0.16 -0.04 0.89 0.64 2q43A12 GLY 364 H -0.08 0.59 0.09 -0.55 8.43 8.48 2q43A12 GLY 364 HA2 -0.02 0.15 0.56 -0.51 4.01 4.20 2q43A12 GLY 364 HA3 -0.06 0.17 0.00 -0.51 4.01 3.62 2q43A12 MET 365 H -0.04 0.25 0.22 -0.55 8.47 8.35 2q43A12 MET 365 HA 0.05 0.03 0.69 -0.75 4.52 4.53 2q43A12 MET 365 HB2 -0.08 -0.11 0.20 -0.04 2.15 2.11 2q43A12 MET 365 HB3 -0.07 0.09 -0.16 -0.04 2.03 1.85 2q43A12 MET 365 HG2 -0.11 0.08 -0.22 -0.04 2.63 2.34 2q43A12 MET 365 HG3 -0.48 -0.01 -0.15 -0.04 2.56 1.88 2q43A12 MET 365 HE3 -0.04 0.01 -0.14 -0.04 2.10 1.89 2q43A12 GLN 366 H -0.02 0.39 0.15 -0.55 8.47 8.44 2q43A12 GLN 366 HA -0.04 0.01 0.47 -0.75 4.36 4.05 2q43A12 GLN 366 HB2 0.04 -0.04 -0.12 -0.04 2.15 2.00 2q43A12 GLN 366 HB3 0.04 0.06 -0.21 -0.04 2.02 1.87 2q43A12 GLN 366 HG2 0.07 0.14 -0.13 -0.04 2.40 2.44 2q43A12 GLN 366 HG3 0.08 0.16 -0.09 -0.04 2.39 2.50 2q43A12 GLN 366 HE21 0.14 0.59 0.12 -0.04 6.97 7.79 2q43A12 GLN 366 HE22 0.10 0.35 0.06 -0.04 7.69 8.15 2q43A12 ASP 367 H 0.26 -0.03 0.17 -0.55 8.40 8.25 2q43A12 ASP 367 HA 0.05 0.23 0.60 -0.75 4.63 4.76 2q43A12 ASP 367 HB2 0.06 -0.05 0.20 -0.04 2.71 2.87 2q43A12 ASP 367 HB3 0.19 0.13 0.10 -0.04 2.70 3.08 2q43A12 GLU 368 H 0.02 0.17 0.15 -0.55 8.60 8.39 2q43A12 GLU 368 HA 0.02 0.20 0.47 -0.75 4.29 4.22 2q43A12 GLU 368 HB2 0.01 0.01 0.12 -0.04 2.09 2.19 2q43A12 GLU 368 HB3 0.01 -0.00 0.06 -0.04 1.99 2.01 2q43A12 GLU 368 HG2 0.01 0.02 0.08 -0.04 2.34 2.40 2q43A12 GLU 368 HG3 0.01 0.04 0.10 -0.04 2.34 2.45 2q43A12 THR 369 H 0.03 -0.08 -0.33 -0.55 8.28 7.35 2q43A12 THR 369 HA 0.01 0.35 0.98 -0.75 4.39 4.98 2q43A12 THR 369 HB -0.00 0.07 0.13 -0.04 4.32 4.48 2q43A12 THR 369 HG23 0.00 0.00 -0.17 -0.04 1.22 1.02 2q43A12 ASN 370 H 0.04 0.28 -0.27 -0.55 8.53 8.04 2q43A12 ASN 370 HA 0.07 0.03 0.26 -0.75 4.76 4.37 2q43A12 ASN 370 HB2 0.02 0.18 -0.23 -0.04 2.88 2.81 2q43A12 ASN 370 HB3 0.03 0.01 0.19 -0.04 2.79 2.98 2q43A12 ASN 370 HD21 0.02 0.02 -0.05 -0.04 7.03 6.98 2q43A12 ASN 370 HD22 0.02 0.01 -0.09 -0.04 7.74 7.64 2q43A12 GLY 371 H 0.05 -0.11 -0.20 -0.55 8.43 7.63 2q43A12 GLY 371 HA2 -0.06 0.21 0.38 -0.51 4.01 4.02 2q43A12 GLY 371 HA3 -0.11 -0.03 0.23 -0.51 4.01 3.59 2q43A12 TYR 372 H 0.17 -0.00 -0.29 -0.55 8.29 7.62 2q43A12 TYR 372 HA -0.07 0.15 0.88 -0.75 4.56 4.77 2q43A12 TYR 372 HB2 -0.01 -0.11 0.09 -0.04 3.06 2.99 2q43A12 TYR 372 HB3 -0.07 0.12 -0.03 -0.04 2.98 2.96 2q43A12 TYR 372 HD2 -0.12 -0.07 -0.02 -0.04 7.15 6.89 2q43A12 TYR 372 HE2 -0.12 -0.04 -0.26 -0.04 6.85 6.38 2q43A12 ALA 373 H -0.04 0.17 0.08 -0.55 8.40 8.06 2q43A12 ALA 373 HA 0.05 0.07 0.29 -0.75 4.34 4.00 2q43A12 ALA 373 HB3 0.06 -0.01 -0.16 -0.04 1.41 1.26 2q43A12 SER 374 H 0.10 0.07 0.14 -0.55 8.46 8.22 2q43A12 SER 374 HA 0.16 0.06 0.44 -0.75 4.49 4.39 2q43A12 SER 374 HB2 0.10 -0.01 0.13 -0.04 3.95 4.12 2q43A12 SER 374 HB3 0.09 -0.00 0.15 -0.04 3.93 4.12 2q43A12 SER 375 H 0.19 0.05 0.17 -0.55 8.46 8.32 2q43A12 SER 375 HA 0.08 0.17 0.55 -0.75 4.49 4.53 2q43A12 SER 375 HB2 0.18 0.01 0.09 -0.04 3.95 4.18 2q43A12 SER 375 HB3 0.07 -0.06 0.17 -0.04 3.93 4.07 2q43A12 HIS 376 H -0.19 0.69 0.18 -0.55 8.41 8.55 2q43A12 HIS 376 HA -0.05 -0.12 0.25 -0.75 4.63 3.95 2q43A12 HIS 376 HB2 0.01 0.36 -0.01 -0.04 3.26 3.58 2q43A12 HIS 376 HB3 -0.00 -0.01 0.08 -0.04 3.20 3.22 2q43A12 HIS 376 HD2 -0.01 -0.01 -0.22 -0.04 6.97 6.69 2q43A12 HIS 376 HE1 -0.03 -0.00 -0.02 -0.04 7.75 7.65 2q43A12 SER 377 H 0.14 0.46 -0.55 -0.55 8.46 7.97 2q43A12 SER 377 HA 0.08 0.18 0.56 -0.75 4.49 4.57 2q43A12 SER 377 HB2 0.10 0.03 0.03 -0.04 3.95 4.06 2q43A12 SER 377 HB3 0.15 0.14 -0.00 -0.04 3.93 4.17 2q43A12 PRO 378 HA 0.06 0.09 0.40 -0.51 4.44 4.48 2q43A12 PRO 378 HB2 0.04 -0.00 0.03 -0.04 2.28 2.30 2q43A12 PRO 378 HB3 0.04 0.28 0.17 -0.04 2.02 2.47 2q43A12 PRO 378 HG2 0.03 0.04 0.09 -0.04 2.03 2.15 2q43A12 PRO 378 HG3 0.03 0.06 0.07 -0.04 2.03 2.15 2q43A12 PRO 378 HD2 0.05 0.07 0.21 -0.04 3.68 3.96 2q43A12 PRO 378 HD3 0.05 0.26 0.26 -0.04 3.65 4.19 2q43A12 LEU 379 H 0.07 0.05 -0.56 -0.55 8.37 7.38 2q43A12 LEU 379 HA 0.04 0.13 0.69 -0.75 4.35 4.45 2q43A12 LEU 379 HB2 0.03 -0.03 -0.01 -0.04 1.64 1.59 2q43A12 LEU 379 HB3 -0.02 0.02 0.09 -0.04 1.64 1.69 2q43A12 LEU 379 HG -0.00 0.03 -0.04 -0.04 1.64 1.60 2q43A12 LEU 379 HD13 -0.01 0.02 -0.13 -0.04 0.93 0.77 2q43A12 LEU 379 HD23 0.03 -0.01 -0.28 -0.04 0.89 0.59 2q43A12 TYR 380 H 0.20 0.45 -0.37 -0.55 8.29 8.02 2q43A12 TYR 380 HA 0.05 0.03 0.30 -0.75 4.56 4.19 2q43A12 TYR 380 HB2 0.05 0.10 0.10 -0.04 3.06 3.27 2q43A12 TYR 380 HB3 0.06 -0.05 0.04 -0.04 2.98 2.99 2q43A12 TYR 380 HD2 0.11 0.11 -0.25 -0.04 7.15 7.07 2q43A12 TYR 380 HE2 0.07 -0.07 -0.21 -0.04 6.85 6.60 2q43A12 ARG 381 H -0.48 0.24 0.16 -0.55 8.46 7.83 2q43A12 ARG 381 HA -0.34 0.15 0.84 -0.75 4.34 4.24 2q43A12 ARG 381 HB2 -0.22 -0.05 0.04 -0.04 1.90 1.62 2q43A12 ARG 381 HB3 -0.20 0.02 -0.07 -0.04 1.80 1.51 2q43A12 ARG 381 HG2 -0.41 -0.01 -0.06 -0.04 1.67 1.15 2q43A12 ARG 381 HG3 -0.24 0.23 -0.30 -0.04 1.67 1.32 2q43A12 ARG 381 HD2 -0.38 -0.04 -0.03 -0.04 3.22 2.72 2q43A12 ARG 381 HD3 -0.32 -0.00 -0.03 -0.04 3.22 2.83 2q43A12 ILE 382 H -0.26 0.20 0.10 -0.55 8.25 7.74 2q43A12 ILE 382 HA -0.18 0.16 0.74 -0.75 4.18 4.15 2q43A12 ILE 382 HB -0.06 0.01 0.04 -0.04 1.89 1.83 2q43A12 ILE 382 HG12 0.13 0.05 -0.07 -0.04 1.49 1.56 2q43A12 ILE 382 HG13 0.15 -0.00 -0.18 -0.04 1.21 1.14 2q43A12 ILE 382 HG23 0.02 -0.02 -0.40 -0.04 0.93 0.49 2q43A12 ILE 382 HD13 0.10 -0.02 -0.00 -0.04 0.88 0.91 2q43A12 ASN 383 H -0.14 0.21 0.03 -0.55 8.53 8.09 2q43A12 ASN 383 HA 0.05 0.14 0.66 -0.75 4.76 4.86 2q43A12 ASN 383 HB2 -0.46 0.17 0.13 -0.04 2.88 2.68 2q43A12 ASN 383 HB3 0.13 -0.03 0.24 -0.04 2.79 3.09 2q43A12 ASN 383 HD21 -0.59 0.02 -0.03 -0.04 7.03 6.39 2q43A12 ASN 383 HD22 -0.39 0.13 0.00 -0.04 7.74 7.45 2q43A12 GLU 384 H 0.04 0.30 0.07 -0.55 8.60 8.46 2q43A12 GLU 384 HA 0.11 0.03 0.23 -0.75 4.29 3.91 2q43A12 GLU 384 HB2 0.14 0.03 0.07 -0.04 2.09 2.28 2q43A12 GLU 384 HB3 0.09 0.04 0.06 -0.04 1.99 2.15 2q43A12 GLU 384 HG2 0.01 -0.04 -0.01 -0.04 2.34 2.26 2q43A12 GLU 384 HG3 -0.01 0.09 0.07 -0.04 2.34 2.44 2q43A12 ASP 385 H 0.17 0.06 -0.40 -0.55 8.40 7.69 2q43A12 ASP 385 HA 0.12 0.13 0.44 -0.75 4.63 4.57 2q43A12 ASP 385 HB2 0.10 -0.02 -0.03 -0.04 2.71 2.72 2q43A12 ASP 385 HB3 0.22 0.07 0.05 -0.04 2.70 3.00 2q43A12 VAL 386 H 0.32 0.58 -0.31 -0.55 8.24 8.27 2q43A12 VAL 386 HA 0.23 0.12 0.56 -0.75 4.13 4.27 2q43A12 VAL 386 HB 0.13 -0.01 0.14 -0.04 2.12 2.33 2q43A12 VAL 386 HG13 0.07 0.00 -0.19 -0.04 0.97 0.81 2q43A12 VAL 386 HG23 -0.24 -0.00 0.03 -0.04 0.95 0.69 2q43A12 LEU 387 H 0.20 0.46 -0.28 -0.55 8.37 8.20 2q43A12 LEU 387 HA 0.09 -0.03 0.30 -0.75 4.35 3.95 2q43A12 LEU 387 HB2 0.24 0.18 0.11 -0.04 1.64 2.12 2q43A12 LEU 387 HB3 0.09 -0.04 -0.01 -0.04 1.64 1.64 2q43A12 LEU 387 HG 0.12 -0.03 0.06 -0.04 1.64 1.75 2q43A12 LEU 387 HD13 -0.01 0.00 -0.04 -0.04 0.93 0.85 2q43A12 LEU 387 HD23 0.05 -0.03 -0.03 -0.04 0.89 0.84 2q43A12 PRO 388 HA -0.00 0.08 0.41 -0.51 4.44 4.42 2q43A12 PRO 388 HB2 -0.48 0.04 -0.10 -0.04 2.28 1.69 2q43A12 PRO 388 HB3 -0.17 0.08 -0.47 -0.04 2.02 1.42 2q43A12 PRO 388 HG2 -0.40 0.05 0.03 -0.04 2.03 1.67 2q43A12 PRO 388 HG3 0.21 0.09 0.02 -0.04 2.03 2.31 2q43A12 PRO 388 HD2 -0.04 0.42 -0.22 -0.04 3.68 3.80 2q43A12 PRO 388 HD3 0.30 0.10 0.05 -0.04 3.65 4.06 2q43A12 TYR 389 H -0.14 0.27 -0.32 -0.55 8.29 7.56 2q43A12 TYR 389 HA -0.04 0.04 0.38 -0.75 4.56 4.19 2q43A12 TYR 389 HB2 -0.14 0.10 0.10 -0.04 3.06 3.07 2q43A12 TYR 389 HB3 -0.12 0.04 0.04 -0.04 2.98 2.89 2q43A12 TYR 389 HD2 -0.11 -0.03 0.07 -0.04 7.15 7.03 2q43A12 TYR 389 HE2 0.08 0.01 -0.03 -0.04 6.85 6.86 2q43A12 GLY 390 H 0.06 0.39 -0.27 -0.55 8.43 8.07 2q43A12 GLY 390 HA2 -0.05 0.06 0.44 -0.51 4.01 3.94 2q43A12 GLY 390 HA3 0.01 0.03 0.24 -0.51 4.01 3.77 2q43A12 ALA 391 H 0.06 0.56 -0.04 -0.55 8.40 8.43 2q43A12 ALA 391 HA 0.18 0.01 0.35 -0.75 4.34 4.13 2q43A12 ALA 391 HB3 0.09 0.03 -0.03 -0.04 1.41 1.46 2q43A12 ALA 392 H 0.03 0.67 -0.21 -0.55 8.40 8.34 2q43A12 ALA 392 HA 0.06 0.00 0.32 -0.75 4.34 3.97 2q43A12 ALA 392 HB3 0.02 0.02 -0.03 -0.04 1.41 1.37 2q43A12 ILE 393 H 0.01 0.44 -0.36 -0.55 8.25 7.80 2q43A12 ILE 393 HA -0.04 0.02 0.37 -0.75 4.18 3.78 2q43A12 ILE 393 HB -0.07 0.07 0.13 -0.04 1.89 1.98 2q43A12 ILE 393 HG12 -0.08 -0.07 -0.02 -0.04 1.49 1.28 2q43A12 ILE 393 HG13 0.00 0.22 0.10 -0.04 1.21 1.49 2q43A12 ILE 393 HG23 0.02 -0.03 -0.19 -0.04 0.93 0.69 2q43A12 ILE 393 HD13 -0.02 -0.03 -0.08 -0.04 0.88 0.70 2q43A12 HIS 394 H 0.02 0.65 -0.15 -0.55 8.41 8.39 2q43A12 HIS 394 HA -0.01 -0.00 0.33 -0.75 4.63 4.20 2q43A12 HIS 394 HB2 0.02 0.09 0.15 -0.04 3.26 3.48 2q43A12 HIS 394 HB3 0.01 -0.02 -0.12 -0.04 3.20 3.03 2q43A12 HIS 394 HD2 -0.00 -0.06 -0.34 -0.04 6.97 6.53 2q43A12 HIS 394 HE1 -0.05 -0.00 0.02 -0.04 7.75 7.67 2q43A12 ALA 395 H 0.13 0.69 -0.11 -0.55 8.40 8.57 2q43A12 ALA 395 HA 0.08 0.02 0.30 -0.75 4.34 3.98 2q43A12 ALA 395 HB3 0.11 -0.00 0.05 -0.04 1.41 1.52 2q43A12 SER 396 H 0.03 0.72 -0.09 -0.55 8.46 8.58 2q43A12 SER 396 HA 0.01 -0.03 0.38 -0.75 4.49 4.09 2q43A12 SER 396 HB2 -0.00 -0.05 0.09 -0.04 3.95 3.94 2q43A12 SER 396 HB3 -0.03 0.14 0.15 -0.04 3.93 4.16 2q43A12 MET 397 H -0.06 0.64 -0.19 -0.55 8.47 8.31 2q43A12 MET 397 HA -0.17 -0.06 0.25 -0.75 4.52 3.78 2q43A12 MET 397 HB2 -0.16 0.21 0.10 -0.04 2.15 2.26 2q43A12 MET 397 HB3 -0.33 0.07 -0.02 -0.04 2.03 1.71 2q43A12 MET 397 HG2 -0.76 -0.04 -0.07 -0.04 2.63 1.72 2q43A12 MET 397 HG3 -1.39 -0.03 -0.09 -0.04 2.56 1.01 2q43A12 MET 397 HE3 -0.07 -0.00 -0.12 -0.04 2.10 1.86 2q43A12 ALA 398 H -0.05 0.48 -0.41 -0.55 8.40 7.87 2q43A12 ALA 398 HA -0.03 -0.00 0.42 -0.75 4.34 3.98 2q43A12 ALA 398 HB3 0.03 0.02 0.01 -0.04 1.41 1.43 2q43A12 VAL 399 H 0.02 0.53 -0.01 -0.55 8.24 8.23 2q43A12 VAL 399 HA 0.05 0.00 0.32 -0.75 4.13 3.75 2q43A12 VAL 399 HB 0.02 -0.01 0.16 -0.04 2.12 2.25 2q43A12 VAL 399 HG13 0.02 -0.01 -0.16 -0.04 0.97 0.78 2q43A12 VAL 399 HG23 0.06 0.04 -0.02 -0.04 0.95 1.00 2q43A12 GLN 400 H -0.00 0.65 0.02 -0.55 8.47 8.59 2q43A12 GLN 400 HA -0.01 0.01 0.21 -0.75 4.36 3.82 2q43A12 GLN 400 HB2 -0.03 0.03 -0.05 -0.04 2.15 2.06 2q43A12 GLN 400 HB3 -0.03 -0.03 -0.10 -0.04 2.02 1.82 2q43A12 GLN 400 HG2 -0.03 0.07 0.04 -0.04 2.40 2.44 2q43A12 GLN 400 HG3 -0.05 -0.05 -0.08 -0.04 2.39 2.17 2q43A12 GLN 400 HE21 -0.03 0.01 -0.05 -0.04 6.97 6.86 2q43A12 GLN 400 HE22 -0.02 -0.03 -0.05 -0.04 7.69 7.54 2q43A12 TYR 401 H 0.09 0.46 -0.41 -0.55 8.29 7.87 2q43A12 TYR 401 HA 0.02 -0.06 0.32 -0.75 4.56 4.08 2q43A12 TYR 401 HB2 -0.05 0.12 0.13 -0.04 3.06 3.22 2q43A12 TYR 401 HB3 0.01 0.11 0.16 -0.04 2.98 3.22 2q43A12 TYR 401 HD2 0.15 0.01 -0.08 -0.04 7.15 7.19 2q43A12 TYR 401 HE2 0.13 -0.03 -0.10 -0.04 6.85 6.81 2q43A12 LEU 402 H 0.19 0.55 -0.04 -0.55 8.37 8.52 2q43A12 LEU 402 HA -0.02 -0.03 0.40 -0.75 4.35 3.95 2q43A12 LEU 402 HB2 0.06 0.10 0.15 -0.04 1.64 1.92 2q43A12 LEU 402 HB3 0.04 -0.02 -0.05 -0.04 1.64 1.57 2q43A12 LEU 402 HG 0.21 0.12 0.04 -0.04 1.64 1.97 2q43A12 LEU 402 HD13 0.08 -0.03 -0.34 -0.04 0.93 0.60 2q43A12 LEU 402 HD23 0.15 0.03 -0.10 -0.04 0.89 0.93 2q43A12 LYS 403 H 0.00 0.88 -0.12 -0.55 8.42 8.63 2q43A12 LYS 403 HA -0.03 0.01 0.37 -0.75 4.32 3.92 2q43A12 LYS 403 HB2 -0.01 -0.02 0.01 -0.04 1.87 1.81 2q43A12 LYS 403 HB3 -0.02 0.00 -0.03 -0.04 1.79 1.71 2q43A12 LYS 403 HG2 -0.03 -0.02 0.15 -0.04 1.46 1.51 2q43A12 LYS 403 HG3 -0.02 0.00 0.08 -0.04 1.46 1.47 2q43A12 LYS 403 HD2 -0.03 -0.04 -0.04 -0.04 1.69 1.54 2q43A12 LYS 403 HD3 -0.03 -0.04 0.00 -0.04 1.68 1.57 2q43A12 LYS 403 HE2 -0.02 0.06 -0.00 -0.04 2.99 2.98 2q43A12 LYS 403 HE3 -0.00 0.01 -0.07 -0.04 2.99 2.89 2q43A12 GLU 404 H -0.12 0.32 -1.07 -0.55 8.60 7.19 2q43A12 GLU 404 HA -0.07 0.05 0.87 -0.75 4.29 4.38 2q43A12 GLU 404 HB2 -0.08 0.07 -0.01 -0.04 2.09 2.03 2q43A12 GLU 404 HB3 -0.21 0.17 0.27 -0.04 1.99 2.18 2q43A12 GLU 404 HG2 -0.11 -0.03 -0.15 -0.04 2.34 2.00 2q43A12 GLU 404 HG3 -0.07 -0.06 0.03 -0.04 2.34 2.21 2q43A12 LYS 405 H -0.29 0.57 0.28 -0.55 8.42 8.42 2q43A12 LYS 405 HA -0.15 -0.04 0.41 -0.75 4.32 3.78 2q43A12 LYS 405 HB2 -0.42 -0.07 0.12 -0.04 1.87 1.47 2q43A12 LYS 405 HB3 -0.17 0.10 0.19 -0.04 1.79 1.88 2q43A12 LYS 405 HG2 -0.02 -0.05 0.03 -0.04 1.46 1.38 2q43A12 LYS 405 HG3 -0.05 0.06 -0.13 -0.04 1.46 1.30 2q43A12 LYS 405 HD2 -0.06 0.02 0.15 -0.04 1.69 1.76 2q43A12 LYS 405 HD3 -0.05 -0.05 0.06 -0.04 1.68 1.60 2q43A12 LYS 405 HE2 -0.00 0.03 0.03 -0.04 2.99 3.01 2q43A12 LYS 405 HE3 0.01 -0.05 0.04 -0.04 2.99 2.96 2q43A12 ALA 406 H -0.08 0.34 -0.34 -0.55 8.40 7.77 2q43A12 ALA 406 HA -0.04 0.10 0.62 -0.75 4.34 4.27 2q43A12 ALA 406 HB3 -0.03 -0.01 0.08 -0.04 1.41 1.41 2q43A12 SER 407 H -0.06 0.79 -0.38 -0.55 8.46 8.27 2q43A12 SER 407 HA -0.03 0.06 0.25 -0.75 4.49 4.01 2q43A12 SER 407 HB2 -0.03 -0.10 0.08 -0.04 3.95 3.86 2q43A12 SER 407 HB3 -0.04 0.06 0.10 -0.04 3.93 4.01