============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 6 0.840 -1.059 86.950 47.818 -99.200 -91.000 TRP 13 1.040 10.204 101.726 54.016 -99.200 -91.000 TRP6 13 1.020 12.162 102.404 52.913 -99.200 -91.000 TRP 28 1.040 30.786 112.282 23.779 -99.200 -91.000 TRP6 28 1.020 28.764 112.622 24.901 -99.200 -91.000 TYR 31 0.840 32.809 104.725 26.446 -99.200 -91.000 PHE 44 1.000 34.133 86.450 39.174 -99.200 -91.000 TRP 62 1.040 26.848 103.083 22.756 -99.200 -91.000 TRP6 62 1.020 25.514 103.966 21.056 -99.200 -91.000 TRP 65 1.040 22.949 99.055 35.446 -99.200 -91.000 TRP6 65 1.020 20.916 98.837 36.576 -99.200 -91.000 HIS 70 0.900 34.221 83.431 35.143 -99.200 -91.000 TRP 73 1.040 38.173 82.823 39.820 -99.200 -91.000 TRP6 73 1.020 38.368 84.971 40.752 -99.200 -91.000 PHE 104 1.000 24.648 87.198 50.842 -99.200 -91.000 TYR 148 0.840 18.486 77.259 50.770 -99.200 -91.000 TYR 160 0.840 23.431 93.280 59.404 -99.200 -91.000 TYR 193 0.840 21.829 85.912 24.909 -99.200 -91.000 TYR 233 0.840 17.452 79.445 62.101 -99.200 -91.000 TYR 238 0.840 7.965 90.585 60.790 -99.200 -91.000 HIS 245 0.900 11.438 92.102 41.021 -99.200 -91.000 PHE 251 1.000 20.916 84.364 30.194 -99.200 -91.000 TYR 261 0.840 17.922 84.399 43.213 -99.200 -91.000 PHE 287 1.000 3.423 87.304 62.080 -99.200 -91.000 TYR 318 0.840 -34.471 63.478 81.606 -99.200 -91.000 TYR 323 0.840 -30.040 68.920 74.355 -99.200 -91.000 PHE 337 1.000 -20.173 83.571 66.082 -99.200 -91.000 TYR 345 0.840 -28.043 95.245 70.069 -99.200 -91.000 TRP 375 1.040 -26.824 79.251 87.544 -99.200 -91.000 TRP6 375 1.020 -24.810 79.511 86.349 -99.200 -91.000 PHE 378 1.000 -19.982 79.483 87.826 -99.200 -91.000 PHE 387 1.000 -7.602 83.329 81.942 -99.200 -91.000 PHE 394 1.000 -12.757 82.486 78.735 -99.200 -91.000 TYR 399 0.840 -12.105 87.167 79.801 -99.200 -91.000 TYR 414 0.840 -32.112 79.120 85.451 -99.200 -91.000 TRP 419 1.040 -34.481 83.919 80.783 -99.200 -91.000 TRP6 419 1.020 -32.914 82.780 82.095 -99.200 -91.000 TRP 429 1.040 -19.335 90.439 78.664 -99.200 -91.000 TRP6 429 1.020 -19.843 88.160 78.617 -99.200 -91.000 PHE 443 1.000 -24.678 83.385 77.346 -99.200 -91.000 PHE 454 1.000 -25.020 74.688 87.985 -99.200 -91.000 PHE 463 1.000 -36.682 75.176 82.852 -99.200 -91.000 PHE 475 1.000 -26.369 86.375 72.842 -99.200 -91.000 PHE 480 1.000 -27.930 76.619 65.887 -99.200 -91.000 HIS 486 0.900 -42.282 74.862 65.851 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1rh1A1 THR 10 HA 0.05 -0.07 0.16 -0.75 4.39 3.78 1rh1A1 THR 10 HB 0.09 0.03 -0.09 -0.04 4.32 4.32 1rh1A1 THR 10 HG23 0.03 -0.11 0.03 -0.04 1.22 1.13 1rh1A1 GLU 11 H 0.06 -0.11 0.12 -0.55 8.60 8.11 1rh1A1 GLU 11 HA 0.08 0.16 0.64 -0.75 4.29 4.42 1rh1A1 GLU 11 HB2 0.07 0.08 -0.31 -0.04 2.09 1.89 1rh1A1 GLU 11 HB3 0.06 -0.06 0.05 -0.04 1.99 2.00 1rh1A1 GLU 11 HG2 0.09 0.06 0.06 -0.04 2.34 2.51 1rh1A1 GLU 11 HG3 0.08 0.01 -0.03 -0.04 2.34 2.36 1rh1A1 GLY 12 H 0.02 0.07 0.16 -0.55 8.43 8.14 1rh1A1 GLY 12 HA2 -0.03 0.10 0.34 -0.51 4.01 3.91 1rh1A1 GLY 12 HA3 -0.05 -0.03 0.35 -0.51 4.01 3.76 1rh1A1 ILE 13 H -0.14 0.14 0.17 -0.55 8.25 7.87 1rh1A1 ILE 13 HA -0.61 0.11 0.41 -0.75 4.18 3.34 1rh1A1 ILE 13 HB -0.15 0.06 -0.03 -0.04 1.89 1.72 1rh1A1 ILE 13 HG12 -0.09 -0.10 0.14 -0.04 1.49 1.40 1rh1A1 ILE 13 HG13 -0.07 0.07 0.05 -0.04 1.21 1.22 1rh1A1 ILE 13 HG23 -0.16 0.02 0.06 -0.04 0.93 0.81 1rh1A1 ILE 13 HD13 -0.07 0.00 0.02 -0.04 0.88 0.80 1rh1A1 ASP 14 H -0.17 0.07 -0.20 -0.55 8.40 7.55 1rh1A1 ASP 14 HA -0.09 0.09 0.37 -0.75 4.63 4.24 1rh1A1 ASP 14 HB2 -0.05 -0.06 0.03 -0.04 2.71 2.58 1rh1A1 ASP 14 HB3 -0.04 0.35 0.14 -0.04 2.70 3.11 1rh1A1 TYR 15 H -0.11 0.29 -0.28 -0.55 8.29 7.65 1rh1A1 TYR 15 HA 0.02 0.06 0.24 -0.75 4.56 4.13 1rh1A1 TYR 15 HB2 0.01 0.14 -0.01 -0.04 3.06 3.17 1rh1A1 TYR 15 HB3 0.02 -0.02 0.21 -0.04 2.98 3.15 1rh1A1 TYR 15 HD2 0.02 0.00 0.00 -0.04 7.15 7.13 1rh1A1 TYR 15 HE2 0.01 -0.04 0.00 -0.04 6.85 6.79 1rh1A1 GLY 16 H 0.08 0.09 -0.23 -0.55 8.43 7.83 1rh1A1 GLY 16 HA2 0.05 0.04 0.18 -0.51 4.01 3.77 1rh1A1 GLY 16 HA3 0.06 0.17 0.32 -0.51 4.01 4.05 1rh1A1 ASP 17 H 0.05 0.36 -0.52 -0.55 8.40 7.74 1rh1A1 ASP 17 HA 0.02 0.11 0.28 -0.75 4.63 4.28 1rh1A1 ASP 17 HB2 -0.02 0.02 0.04 -0.04 2.71 2.72 1rh1A1 ASP 17 HB3 -0.01 -0.05 0.02 -0.04 2.70 2.63 1rh1A1 THR 18 H 0.04 0.22 -0.04 -0.55 8.28 7.95 1rh1A1 THR 18 HA 0.01 0.00 0.27 -0.75 4.39 3.91 1rh1A1 THR 18 HB -0.24 0.05 0.22 -0.04 4.32 4.31 1rh1A1 THR 18 HG23 -0.10 -0.03 0.09 -0.04 1.22 1.14 1rh1A1 MET 19 H 0.01 0.04 -0.41 -0.55 8.47 7.56 1rh1A1 MET 19 HA -0.00 0.26 0.97 -0.75 4.52 5.00 1rh1A1 MET 19 HB2 0.02 0.06 -0.02 -0.04 2.15 2.17 1rh1A1 MET 19 HB3 0.04 -0.13 -0.34 -0.04 2.03 1.55 1rh1A1 MET 19 HG2 -0.06 -0.07 -0.40 -0.04 2.63 2.05 1rh1A1 MET 19 HG3 -0.10 0.09 -0.38 -0.04 2.56 2.13 1rh1A1 MET 19 HE3 0.02 -0.09 -0.40 -0.04 2.10 1.59 1rh1A1 VAL 20 H 0.09 0.69 0.38 -0.55 8.24 8.85 1rh1A1 VAL 20 HA 0.07 0.09 0.68 -0.75 4.13 4.21 1rh1A1 VAL 20 HB 0.08 -0.05 0.11 -0.04 2.12 2.22 1rh1A1 VAL 20 HG13 0.09 0.03 0.05 -0.04 0.97 1.10 1rh1A1 VAL 20 HG23 0.11 0.04 -0.12 -0.04 0.95 0.95 1rh1A1 VAL 21 H 0.08 0.11 0.14 -0.55 8.24 8.01 1rh1A1 VAL 21 HA 0.13 0.15 0.78 -0.75 4.13 4.44 1rh1A1 VAL 21 HB 0.05 -0.05 0.14 -0.04 2.12 2.21 1rh1A1 VAL 21 HG13 0.02 0.01 -0.28 -0.04 0.97 0.68 1rh1A1 VAL 21 HG23 0.07 0.05 -0.05 -0.04 0.95 0.99 1rh1A1 TRP 22 H 0.28 0.57 0.04 -0.55 7.97 8.31 1rh1A1 TRP 22 HA 0.02 0.21 0.77 -0.75 4.62 4.87 1rh1A1 TRP 22 HB2 0.03 0.01 -0.09 -0.04 3.23 3.14 1rh1A1 TRP 22 HB3 0.03 -0.11 -0.12 -0.04 3.23 2.99 1rh1A1 TRP 22 HD1 0.02 0.05 0.01 -0.04 7.22 7.26 1rh1A1 TRP 22 HE1 0.01 0.01 -0.17 -0.04 10.20 10.01 1rh1A1 TRP 22 HE3 0.02 -0.10 -0.06 -0.04 7.59 7.41 1rh1A1 TRP 22 HZ2 0.01 -0.00 -0.01 -0.04 7.44 7.40 1rh1A1 TRP 22 HZ3 0.02 -0.07 0.03 -0.04 7.13 7.06 1rh1A1 TRP 22 HH2 0.01 -0.14 0.07 -0.04 7.19 7.09 1rh1A1 PRO 23 HA -0.23 -0.00 0.56 -0.51 4.44 4.25 1rh1A1 PRO 23 HB2 -0.33 0.05 0.09 -0.04 2.28 2.05 1rh1A1 PRO 23 HB3 -0.18 0.04 0.08 -0.04 2.02 1.92 1rh1A1 PRO 23 HG2 -0.13 0.04 0.06 -0.04 2.03 1.95 1rh1A1 PRO 23 HG3 -0.10 0.06 -0.03 -0.04 2.03 1.92 1rh1A1 PRO 23 HD2 -0.47 0.06 0.15 -0.04 3.68 3.38 1rh1A1 PRO 23 HD3 -0.07 0.34 0.13 -0.04 3.65 4.01 1rh1A1 SER 24 H -0.28 0.03 0.25 -0.55 8.46 7.91 1rh1A1 SER 24 HA -1.26 0.03 0.27 -0.75 4.49 2.78 1rh1A1 SER 24 HB2 -0.03 -0.18 0.19 -0.04 3.95 3.89 1rh1A1 SER 24 HB3 -0.12 0.15 0.04 -0.04 3.93 3.96 1rh1A1 THR 25 H -0.15 0.03 0.13 -0.55 8.28 7.75 1rh1A1 THR 25 HA -0.11 0.15 0.43 -0.75 4.39 4.11 1rh1A1 THR 25 HB 0.37 -0.02 0.18 -0.04 4.32 4.81 1rh1A1 THR 25 HG23 0.12 -0.04 0.02 -0.04 1.22 1.28 1rh1A1 GLY 26 H -0.04 -0.03 -0.36 -0.55 8.43 7.46 1rh1A1 GLY 26 HA2 -0.06 0.13 0.28 -0.51 4.01 3.85 1rh1A1 GLY 26 HA3 -0.03 0.12 0.43 -0.51 4.01 4.02 1rh1A1 ARG 27 H 0.01 0.03 -0.15 -0.55 8.46 7.79 1rh1A1 ARG 27 HA 0.02 -0.07 0.28 -0.75 4.34 3.82 1rh1A1 ARG 27 HB2 -0.01 0.13 0.22 -0.04 1.90 2.19 1rh1A1 ARG 27 HB3 -0.01 0.02 -0.07 -0.04 1.80 1.69 1rh1A1 ARG 27 HG2 0.02 -0.05 0.03 -0.04 1.67 1.63 1rh1A1 ARG 27 HG3 0.01 0.05 0.04 -0.04 1.67 1.72 1rh1A1 ARG 27 HD2 -0.02 -0.05 -0.02 -0.04 3.22 3.08 1rh1A1 ARG 27 HD3 0.01 0.08 -0.00 -0.04 3.22 3.26 1rh1A1 ILE 28 H 0.02 0.03 0.07 -0.55 8.25 7.82 1rh1A1 ILE 28 HA 0.00 0.44 0.63 -0.75 4.18 4.51 1rh1A1 ILE 28 HB 0.01 -0.05 -0.09 -0.04 1.89 1.73 1rh1A1 ILE 28 HG12 0.02 0.11 0.13 -0.04 1.49 1.71 1rh1A1 ILE 28 HG13 0.02 -0.25 0.03 -0.04 1.21 0.97 1rh1A1 ILE 28 HG23 0.02 0.01 -0.05 -0.04 0.93 0.87 1rh1A1 ILE 28 HD13 0.04 -0.00 0.09 -0.04 0.88 0.97 1rh1A1 PRO 29 HA -0.01 0.12 0.42 -0.51 4.44 4.47 1rh1A1 PRO 29 HB2 -0.01 -0.01 0.03 -0.04 2.28 2.25 1rh1A1 PRO 29 HB3 -0.02 -0.00 0.18 -0.04 2.02 2.14 1rh1A1 PRO 29 HG2 -0.02 0.17 0.10 -0.04 2.03 2.24 1rh1A1 PRO 29 HG3 -0.03 0.01 0.04 -0.04 2.03 2.01 1rh1A1 PRO 29 HD2 -0.02 0.03 -0.75 -0.04 3.68 2.89 1rh1A1 PRO 29 HD3 -0.03 0.35 -0.06 -0.04 3.65 3.87 1rh1A1 GLY 30 H -0.00 -0.20 0.06 -0.55 8.43 7.75 1rh1A1 GLY 30 HA2 0.00 0.12 0.39 -0.51 4.01 4.02 1rh1A1 GLY 30 HA3 0.00 0.14 0.39 -0.51 4.01 4.03 1rh1A1 GLY 31 H 0.00 -0.01 -0.18 -0.55 8.43 7.69 1rh1A1 GLY 31 HA2 0.00 0.13 0.19 -0.51 4.01 3.82 1rh1A1 GLY 31 HA3 0.00 0.10 0.19 -0.51 4.01 3.80 1rh1A1 SER 44 HA -0.19 -0.04 0.22 -0.75 4.49 3.73 1rh1A1 SER 44 HB2 -0.31 -0.07 0.03 -0.04 3.95 3.55 1rh1A1 SER 44 HB3 -0.61 0.05 -0.02 -0.04 3.93 3.31 1rh1A1 MET 45 H 0.05 0.04 0.02 -0.55 8.47 8.03 1rh1A1 MET 45 HA 0.32 -0.06 0.23 -0.75 4.52 4.25 1rh1A1 MET 45 HB2 -0.02 0.09 -0.12 -0.04 2.15 2.06 1rh1A1 MET 45 HB3 0.05 -0.04 0.15 -0.04 2.03 2.15 1rh1A1 MET 45 HG2 0.04 -0.04 0.00 -0.04 2.63 2.60 1rh1A1 MET 45 HG3 0.08 -0.03 0.02 -0.04 2.56 2.60 1rh1A1 MET 45 HE3 -0.02 0.01 -0.09 -0.04 2.10 1.95 1rh1A1 PRO 46 HA 0.15 -0.01 0.37 -0.51 4.44 4.44 1rh1A1 PRO 46 HB2 0.07 0.09 0.01 -0.04 2.28 2.40 1rh1A1 PRO 46 HB3 0.07 -0.00 0.12 -0.04 2.02 2.17 1rh1A1 PRO 46 HG2 0.03 0.02 0.04 -0.04 2.03 2.09 1rh1A1 PRO 46 HG3 0.03 -0.01 0.03 -0.04 2.03 2.03 1rh1A1 PRO 46 HD2 0.03 0.07 0.32 -0.04 3.68 4.06 1rh1A1 PRO 46 HD3 -0.03 0.17 -0.32 -0.04 3.65 3.44 1rh1A1 PRO 47 HA -0.30 0.11 0.36 -0.51 4.44 4.11 1rh1A1 PRO 47 HB2 -0.10 -0.09 0.13 -0.04 2.28 2.17 1rh1A1 PRO 47 HB3 -0.09 0.00 0.10 -0.04 2.02 1.99 1rh1A1 PRO 47 HG2 0.10 0.07 0.15 -0.04 2.03 2.30 1rh1A1 PRO 47 HG3 0.07 -0.02 0.11 -0.04 2.03 2.16 1rh1A1 PRO 47 HD2 0.08 0.09 0.22 -0.04 3.68 4.03 1rh1A1 PRO 47 HD3 0.08 0.08 0.17 -0.04 3.65 3.95 1rh1A1 GLY 48 H -0.75 0.50 0.06 -0.55 8.43 7.69 1rh1A1 GLY 48 HA2 -1.77 -0.11 0.13 -0.51 4.01 1.75 1rh1A1 GLY 48 HA3 -1.31 0.17 0.75 -0.51 4.01 3.11 1rh1A1 TRP 49 H 0.02 0.22 0.04 -0.55 7.97 7.70 1rh1A1 TRP 49 HA -0.12 0.02 0.14 -0.75 4.62 3.91 1rh1A1 TRP 49 HB2 -0.06 -0.05 0.06 -0.04 3.23 3.13 1rh1A1 TRP 49 HB3 -0.10 0.11 0.06 -0.04 3.23 3.25 1rh1A1 TRP 49 HD1 -0.03 -0.05 -0.33 -0.04 7.22 6.77 1rh1A1 TRP 49 HE1 -0.01 -0.01 -0.15 -0.04 10.20 9.99 1rh1A1 TRP 49 HE3 -0.12 0.46 -0.13 -0.04 7.59 7.76 1rh1A1 TRP 49 HZ2 -0.02 0.10 -0.03 -0.04 7.44 7.44 1rh1A1 TRP 49 HZ3 -0.08 -0.21 -0.32 -0.04 7.13 6.48 1rh1A1 TRP 49 HH2 -0.04 -0.10 -0.04 -0.04 7.19 6.97 1rh1A1 GLY 50 H -0.63 0.37 -0.24 -0.55 8.43 7.38 1rh1A1 GLY 50 HA2 -0.04 0.05 0.39 -0.51 4.01 3.90 1rh1A1 GLY 50 HA3 -0.11 -0.03 0.25 -0.51 4.01 3.60 1rh1A1 ASP 51 H -0.33 0.12 0.07 -0.55 8.40 7.72 1rh1A1 ASP 51 HA -0.16 0.18 0.62 -0.75 4.63 4.52 1rh1A1 ASP 51 HB2 -0.15 0.01 0.13 -0.04 2.71 2.66 1rh1A1 ASP 51 HB3 -0.34 -0.04 0.22 -0.04 2.70 2.50 1rh1A1 TYR 52 H -0.04 0.66 0.03 -0.55 8.29 8.39 1rh1A1 TYR 52 HA 0.02 0.08 0.63 -0.75 4.56 4.54 1rh1A1 TYR 52 HB2 -0.06 0.16 -0.24 -0.04 3.06 2.88 1rh1A1 TYR 52 HB3 0.11 -0.06 -0.01 -0.04 2.98 2.98 1rh1A1 TYR 52 HD2 -0.14 0.08 -0.36 -0.04 7.15 6.70 1rh1A1 TYR 52 HE2 -0.16 0.02 -0.23 -0.04 6.85 6.45 1rh1A1 SER 53 H 0.28 0.09 0.08 -0.55 8.46 8.36 1rh1A1 SER 53 HA 0.15 0.24 0.66 -0.75 4.49 4.79 1rh1A1 SER 53 HB2 0.10 0.02 0.07 -0.04 3.95 4.10 1rh1A1 SER 53 HB3 0.11 -0.02 0.09 -0.04 3.93 4.07 1rh1A1 PRO 54 HA 0.61 0.18 0.30 -0.51 4.44 5.01 1rh1A1 PRO 54 HB2 0.15 0.04 -0.03 -0.04 2.28 2.40 1rh1A1 PRO 54 HB3 0.20 0.12 0.08 -0.04 2.02 2.38 1rh1A1 PRO 54 HG2 0.07 -0.07 -0.04 -0.04 2.03 1.95 1rh1A1 PRO 54 HG3 0.08 0.09 0.04 -0.04 2.03 2.20 1rh1A1 PRO 54 HD2 0.10 0.03 0.22 -0.04 3.68 3.99 1rh1A1 PRO 54 HD3 0.14 0.29 0.24 -0.04 3.65 4.28 1rh1A1 GLN 55 H 0.02 0.09 -0.51 -0.55 8.47 7.53 1rh1A1 GLN 55 HA -0.11 -0.18 0.45 -0.75 4.36 3.76 1rh1A1 GLN 55 HB2 -0.10 0.05 -0.02 -0.04 2.15 2.04 1rh1A1 GLN 55 HB3 -0.14 0.05 -0.02 -0.04 2.02 1.88 1rh1A1 GLN 55 HG2 -0.05 -0.04 0.03 -0.04 2.40 2.30 1rh1A1 GLN 55 HG3 -0.01 -0.02 -0.01 -0.04 2.39 2.31 1rh1A1 GLN 55 HE21 -0.02 0.03 -0.02 -0.04 6.97 6.93 1rh1A1 GLN 55 HE22 -0.01 0.00 -0.02 -0.04 7.69 7.63 1rh1A1 GLY 56 H -0.67 0.32 -0.30 -0.55 8.43 7.23 1rh1A1 GLY 56 HA2 -2.86 0.06 0.19 -0.51 4.01 0.89 1rh1A1 GLY 56 HA3 -0.87 0.20 0.73 -0.51 4.01 3.55 1rh1A1 ILE 57 H -0.39 -0.00 -0.18 -0.55 8.25 7.13 1rh1A1 ILE 57 HA -0.17 0.17 0.63 -0.75 4.18 4.06 1rh1A1 ILE 57 HB -0.05 0.06 -0.04 -0.04 1.89 1.82 1rh1A1 ILE 57 HG12 -0.12 -0.12 -0.08 -0.04 1.49 1.14 1rh1A1 ILE 57 HG13 -0.04 0.08 -0.21 -0.04 1.21 1.00 1rh1A1 ILE 57 HG23 -0.14 0.01 -0.16 -0.04 0.93 0.60 1rh1A1 ILE 57 HD13 -0.04 -0.00 -0.12 -0.04 0.88 0.67 1rh1A1 ALA 58 H 0.02 0.16 -0.01 -0.55 8.40 8.03 1rh1A1 ALA 58 HA 0.08 -0.05 0.30 -0.75 4.34 3.91 1rh1A1 ALA 58 HB3 0.05 0.03 -0.31 -0.04 1.41 1.14 1rh1A1 LEU 59 H -0.06 0.01 0.04 -0.55 8.37 7.81 1rh1A1 LEU 59 HA 0.07 0.08 0.28 -0.75 4.35 4.03 1rh1A1 LEU 59 HB2 0.11 0.05 0.03 -0.04 1.64 1.79 1rh1A1 LEU 59 HB3 0.04 -0.04 0.07 -0.04 1.64 1.67 1rh1A1 LEU 59 HG 0.05 0.04 -0.62 -0.04 1.64 1.07 1rh1A1 LEU 59 HD13 0.09 0.02 -0.08 -0.04 0.93 0.92 1rh1A1 LEU 59 HD23 -0.01 -0.03 -0.01 -0.04 0.89 0.80 1rh1A1 VAL 60 H 0.05 0.12 0.06 -0.55 8.24 7.91 1rh1A1 VAL 60 HA 0.02 0.13 0.47 -0.75 4.13 3.99 1rh1A1 VAL 60 HB 0.01 -0.03 0.14 -0.04 2.12 2.21 1rh1A1 VAL 60 HG13 -0.02 -0.01 -0.17 -0.04 0.97 0.73 1rh1A1 VAL 60 HG23 0.00 0.00 -0.11 -0.04 0.95 0.80 1rh1A1 GLN 61 H 0.04 0.65 0.35 -0.55 8.47 8.96 1rh1A1 GLN 61 HA 0.04 0.08 0.37 -0.75 4.36 4.09 1rh1A1 GLN 61 HB2 0.06 -0.04 0.11 -0.04 2.15 2.24 1rh1A1 GLN 61 HB3 0.07 -0.04 0.11 -0.04 2.02 2.11 1rh1A1 GLN 61 HG2 0.09 0.19 0.26 -0.04 2.40 2.90 1rh1A1 GLN 61 HG3 0.04 -0.02 0.07 -0.04 2.39 2.45 1rh1A1 GLN 61 HE21 0.34 0.35 0.25 -0.04 6.97 7.86 1rh1A1 GLN 61 HE22 0.37 -0.10 0.17 -0.04 7.69 8.09 1rh1A1 SER 62 H -0.01 0.16 0.17 -0.55 8.46 8.24 1rh1A1 SER 62 HA -0.01 0.20 0.75 -0.75 4.49 4.67 1rh1A1 SER 62 HB2 0.02 0.03 -0.28 -0.04 3.95 3.68 1rh1A1 SER 62 HB3 -0.02 -0.03 -0.08 -0.04 3.93 3.76 1rh1A1 VAL 63 H -0.08 0.24 0.16 -0.55 8.24 8.00 1rh1A1 VAL 63 HA -0.20 0.14 0.99 -0.75 4.13 4.32 1rh1A1 VAL 63 HB -0.41 -0.01 0.08 -0.04 2.12 1.75 1rh1A1 VAL 63 HG13 -0.99 0.01 -0.29 -0.04 0.97 -0.34 1rh1A1 VAL 63 HG23 -0.17 -0.01 -0.15 -0.04 0.95 0.58 1rh1A1 LEU 64 H -0.20 1.09 0.29 -0.55 8.37 9.01 1rh1A1 LEU 64 HA -0.08 0.21 0.83 -0.75 4.35 4.55 1rh1A1 LEU 64 HB2 -0.08 0.13 0.04 -0.04 1.64 1.69 1rh1A1 LEU 64 HB3 -0.04 -0.06 0.13 -0.04 1.64 1.63 1rh1A1 LEU 64 HG -0.02 -0.00 -0.19 -0.04 1.64 1.39 1rh1A1 LEU 64 HD13 -0.05 0.02 -0.21 -0.04 0.93 0.65 1rh1A1 LEU 64 HD23 -0.07 -0.02 -0.19 -0.04 0.89 0.56 1rh1A1 PHE 65 H -0.06 0.28 0.07 -0.55 8.34 8.07 1rh1A1 PHE 65 HA 0.14 0.25 0.59 -0.75 4.62 4.84 1rh1A1 PHE 65 HB2 0.14 -0.06 0.03 -0.04 3.15 3.22 1rh1A1 PHE 65 HB3 0.18 0.11 0.06 -0.04 3.06 3.37 1rh1A1 PHE 65 HD2 0.14 0.13 -0.04 -0.04 7.28 7.48 1rh1A1 PHE 65 HE2 -0.54 0.00 -0.07 -0.04 7.38 6.73 1rh1A1 PHE 65 HZ -0.61 -0.06 -0.08 -0.04 7.32 6.53 1rh1A1 PRO 66 HA 0.10 0.01 0.41 -0.51 4.44 4.44 1rh1A1 PRO 66 HB2 0.06 -0.03 0.06 -0.04 2.28 2.33 1rh1A1 PRO 66 HB3 0.08 -0.07 -0.11 -0.04 2.02 1.88 1rh1A1 PRO 66 HG2 0.11 -0.02 0.12 -0.04 2.03 2.20 1rh1A1 PRO 66 HG3 0.10 0.01 0.05 -0.04 2.03 2.15 1rh1A1 PRO 66 HD2 0.31 0.12 0.02 -0.04 3.68 4.09 1rh1A1 PRO 66 HD3 0.18 0.42 0.14 -0.04 3.65 4.35 1rh1A1 GLY 67 H 0.05 0.50 0.36 -0.55 8.43 8.79 1rh1A1 GLY 67 HA2 -0.09 -0.01 0.41 -0.51 4.01 3.81 1rh1A1 GLY 67 HA3 -0.04 -0.01 0.47 -0.51 4.01 3.92 1rh1A1 ILE 68 H 0.13 0.44 -0.42 -0.55 8.25 7.85 1rh1A1 ILE 68 HA 0.12 0.01 0.92 -0.75 4.18 4.47 1rh1A1 ILE 68 HB 0.28 0.02 0.12 -0.04 1.89 2.27 1rh1A1 ILE 68 HG12 0.05 0.12 0.03 -0.04 1.49 1.65 1rh1A1 ILE 68 HG13 0.07 -0.08 -0.19 -0.04 1.21 0.98 1rh1A1 ILE 68 HG23 0.18 0.02 -0.00 -0.04 0.93 1.08 1rh1A1 ILE 68 HD13 -0.01 -0.02 -0.20 -0.04 0.88 0.62 1rh1A1 ILE 69 H 0.17 0.10 0.21 -0.55 8.25 8.18 1rh1A1 ILE 69 HA 0.12 0.21 0.48 -0.75 4.18 4.23 1rh1A1 ILE 69 HB 0.11 -0.02 0.05 -0.04 1.89 1.99 1rh1A1 ILE 69 HG12 0.26 0.01 -0.10 -0.04 1.49 1.62 1rh1A1 ILE 69 HG13 0.33 0.04 0.08 -0.04 1.21 1.61 1rh1A1 ILE 69 HG23 0.07 -0.01 -0.24 -0.04 0.93 0.71 1rh1A1 ILE 69 HD13 0.03 -0.01 -0.10 -0.04 0.88 0.75 1rh1A1 ARG 70 H 0.07 0.46 0.34 -0.55 8.46 8.77 1rh1A1 ARG 70 HA 0.06 0.07 0.84 -0.75 4.34 4.56 1rh1A1 ARG 70 HB2 0.02 -0.00 0.06 -0.04 1.90 1.94 1rh1A1 ARG 70 HB3 0.04 -0.05 -0.09 -0.04 1.80 1.66 1rh1A1 ARG 70 HG2 0.09 0.19 -0.45 -0.04 1.67 1.46 1rh1A1 ARG 70 HG3 0.04 0.08 -0.03 -0.04 1.67 1.71 1rh1A1 ARG 70 HD2 0.07 -0.12 0.06 -0.04 3.22 3.19 1rh1A1 ARG 70 HD3 0.12 0.13 -0.03 -0.04 3.22 3.40 1rh1A1 ARG 71 H 0.05 0.19 0.12 -0.55 8.46 8.28 1rh1A1 ARG 71 HA 0.06 0.09 0.59 -0.75 4.34 4.33 1rh1A1 ARG 71 HB2 0.05 0.02 0.04 -0.04 1.90 1.97 1rh1A1 ARG 71 HB3 0.05 -0.00 0.23 -0.04 1.80 2.03 1rh1A1 ARG 71 HG2 0.06 -0.02 -0.09 -0.04 1.67 1.57 1rh1A1 ARG 71 HG3 0.06 -0.02 -0.06 -0.04 1.67 1.61 1rh1A1 ARG 71 HD2 0.03 0.14 0.01 -0.04 3.22 3.36 1rh1A1 ARG 71 HD3 0.04 -0.08 0.07 -0.04 3.22 3.21 1rh1A1 ILE 72 H 0.09 0.72 0.36 -0.55 8.25 8.87 1rh1A1 ILE 72 HA 0.13 0.03 0.78 -0.75 4.18 4.37 1rh1A1 ILE 72 HB 0.02 0.24 0.18 -0.04 1.89 2.29 1rh1A1 ILE 72 HG12 -0.01 -0.04 -0.08 -0.04 1.49 1.32 1rh1A1 ILE 72 HG13 0.02 -0.06 -0.57 -0.04 1.21 0.56 1rh1A1 ILE 72 HG23 -0.08 -0.02 -0.13 -0.04 0.93 0.67 1rh1A1 ILE 72 HD13 -0.10 0.01 -0.12 -0.04 0.88 0.63 1rh1A1 ILE 73 H 0.22 0.17 0.16 -0.55 8.25 8.25 1rh1A1 ILE 73 HA 0.14 0.17 0.78 -0.75 4.18 4.51 1rh1A1 ILE 73 HB 0.08 -0.04 0.11 -0.04 1.89 2.00 1rh1A1 ILE 73 HG12 0.07 -0.03 -0.17 -0.04 1.49 1.32 1rh1A1 ILE 73 HG13 0.09 0.01 -0.22 -0.04 1.21 1.06 1rh1A1 ILE 73 HG23 0.01 0.03 -0.20 -0.04 0.93 0.73 1rh1A1 ILE 73 HD13 0.04 0.01 -0.02 -0.04 0.88 0.87 1rh1A1 LEU 74 H -0.15 0.71 0.24 -0.55 8.37 8.63 1rh1A1 LEU 74 HA -0.96 0.05 0.51 -0.75 4.35 3.20 1rh1A1 LEU 74 HB2 -1.07 0.13 0.10 -0.04 1.64 0.75 1rh1A1 LEU 74 HB3 -0.41 -0.10 0.18 -0.04 1.64 1.26 1rh1A1 LEU 74 HG -0.43 -0.05 -0.10 -0.04 1.64 1.01 1rh1A1 LEU 74 HD13 -1.21 -0.01 -0.05 -0.04 0.93 -0.37 1rh1A1 LEU 74 HD23 -0.49 0.02 0.01 -0.04 0.89 0.38 1rh1A1 ASP 75 H -0.25 0.35 0.22 -0.55 8.40 8.17 1rh1A1 ASP 75 HA -0.10 0.10 0.42 -0.75 4.63 4.29 1rh1A1 ASP 75 HB2 -0.12 0.18 0.12 -0.04 2.71 2.84 1rh1A1 ASP 75 HB3 -0.10 -0.13 0.22 -0.04 2.70 2.65 1rh1A1 LYS 76 H -0.03 0.31 -0.10 -0.55 8.42 8.05 1rh1A1 LYS 76 HA -0.01 0.04 0.11 -0.75 4.32 3.71 1rh1A1 LYS 76 HB2 0.06 0.12 0.15 -0.04 1.87 2.16 1rh1A1 LYS 76 HB3 0.01 -0.05 0.05 -0.04 1.79 1.76 1rh1A1 LYS 76 HG2 0.02 -0.01 -0.07 -0.04 1.46 1.36 1rh1A1 LYS 76 HG3 0.04 -0.04 0.06 -0.04 1.46 1.48 1rh1A1 LYS 76 HD2 0.06 0.00 0.06 -0.04 1.69 1.77 1rh1A1 LYS 76 HD3 0.04 0.01 -0.01 -0.04 1.68 1.68 1rh1A1 LYS 76 HE2 0.03 -0.03 0.00 -0.04 2.99 2.96 1rh1A1 LYS 76 HE3 0.04 -0.02 0.03 -0.04 2.99 3.00 1rh1A1 GLU 77 H -0.09 0.06 -0.40 -0.55 8.60 7.63 1rh1A1 GLU 77 HA -0.05 0.16 0.72 -0.75 4.29 4.36 1rh1A1 GLU 77 HB2 -0.13 -0.01 -0.01 -0.04 2.09 1.91 1rh1A1 GLU 77 HB3 -0.08 -0.03 0.10 -0.04 1.99 1.94 1rh1A1 GLU 77 HG2 0.03 0.03 -0.02 -0.04 2.34 2.33 1rh1A1 GLU 77 HG3 0.01 0.01 -0.47 -0.04 2.34 1.84 1rh1A1 LEU 78 H -0.10 0.51 -0.11 -0.55 8.37 8.12 1rh1A1 LEU 78 HA -0.26 0.15 0.14 -0.75 4.35 3.62 1rh1A1 LEU 78 HB2 -0.11 -0.04 0.07 -0.04 1.64 1.53 1rh1A1 LEU 78 HB3 -0.07 -0.00 0.11 -0.04 1.64 1.63 1rh1A1 LEU 78 HG -0.05 0.03 -0.24 -0.04 1.64 1.34 1rh1A1 LEU 78 HD13 -0.14 0.02 -0.13 -0.04 0.93 0.64 1rh1A1 LEU 78 HD23 -0.04 -0.01 -0.02 -0.04 0.89 0.79 1rh1A1 GLU 79 H -0.05 0.13 -0.07 -0.55 8.60 8.07 1rh1A1 GLU 79 HA 0.12 0.16 0.43 -0.75 4.29 4.25 1rh1A1 GLU 79 HB2 0.08 0.06 0.01 -0.04 2.09 2.21 1rh1A1 GLU 79 HB3 0.05 0.02 0.07 -0.04 1.99 2.09 1rh1A1 GLU 79 HG2 0.02 0.02 -0.07 -0.04 2.34 2.26 1rh1A1 GLU 79 HG3 0.02 0.02 -0.01 -0.04 2.34 2.33 1rh1A1 GLU 80 H -0.06 0.01 -0.49 -0.55 8.60 7.52 1rh1A1 GLU 80 HA 0.06 0.10 0.43 -0.75 4.29 4.13 1rh1A1 GLU 80 HB2 -0.01 -0.07 0.05 -0.04 2.09 2.02 1rh1A1 GLU 80 HB3 0.07 0.03 0.09 -0.04 1.99 2.14 1rh1A1 GLU 80 HG2 0.04 0.02 0.03 -0.04 2.34 2.39 1rh1A1 GLU 80 HG3 0.04 0.03 -0.02 -0.04 2.34 2.35 1rh1A1 GLY 81 H -0.46 0.31 -0.78 -0.55 8.43 6.95 1rh1A1 GLY 81 HA2 -2.47 0.04 0.23 -0.51 4.01 1.31 1rh1A1 GLY 81 HA3 -0.66 0.10 0.84 -0.51 4.01 3.78 1rh1A1 ASP 82 H -0.54 0.37 -0.10 -0.55 8.40 7.58 1rh1A1 ASP 82 HA -0.91 0.08 0.10 -0.75 4.63 3.15 1rh1A1 ASP 82 HB2 -1.39 0.02 -0.03 -0.04 2.71 1.27 1rh1A1 ASP 82 HB3 -0.51 -0.04 -0.29 -0.04 2.70 1.82 1rh1A1 TRP 83 H -0.14 0.09 -0.04 -0.55 7.97 7.32 1rh1A1 TRP 83 HA -0.14 0.11 0.51 -0.75 4.62 4.34 1rh1A1 TRP 83 HB2 -0.11 -0.10 -0.54 -0.04 3.23 2.44 1rh1A1 TRP 83 HB3 -0.07 0.14 -0.09 -0.04 3.23 3.16 1rh1A1 TRP 83 HD1 -0.08 0.02 -0.23 -0.04 7.22 6.89 1rh1A1 TRP 83 HE1 0.02 0.31 -0.18 -0.04 10.20 10.30 1rh1A1 TRP 83 HE3 -0.02 -0.10 -0.02 -0.04 7.59 7.40 1rh1A1 TRP 83 HZ2 0.02 -0.03 -0.05 -0.04 7.44 7.34 1rh1A1 TRP 83 HZ3 0.01 -0.03 0.01 -0.04 7.13 7.09 1rh1A1 TRP 83 HH2 0.02 0.00 -0.01 -0.04 7.19 7.17 1rh1A1 SER 84 H 0.26 0.18 0.09 -0.55 8.46 8.44 1rh1A1 SER 84 HA -0.00 -0.02 0.34 -0.75 4.49 4.06 1rh1A1 SER 84 HB2 0.10 0.06 0.14 -0.04 3.95 4.21 1rh1A1 SER 84 HB3 0.02 -0.00 0.05 -0.04 3.93 3.96 1rh1A1 GLY 85 H -0.06 0.06 0.24 -0.55 8.43 8.12 1rh1A1 GLY 85 HA2 -0.09 0.03 0.35 -0.51 4.01 3.79 1rh1A1 GLY 85 HA3 0.06 0.15 0.65 -0.51 4.01 4.36 1rh1A1 TRP 86 H 0.23 0.32 0.26 -0.55 7.97 8.23 1rh1A1 TRP 86 HA -0.01 0.09 0.79 -0.75 4.62 4.74 1rh1A1 TRP 86 HB2 -0.01 0.04 0.05 -0.04 3.23 3.28 1rh1A1 TRP 86 HB3 -0.00 -0.05 0.00 -0.04 3.23 3.14 1rh1A1 TRP 86 HD1 -0.01 0.01 0.05 -0.04 7.22 7.24 1rh1A1 TRP 86 HE1 0.00 -0.07 -0.63 -0.04 10.20 9.46 1rh1A1 TRP 86 HE3 -0.00 0.25 -0.20 -0.04 7.59 7.59 1rh1A1 TRP 86 HZ2 0.01 0.06 -0.24 -0.04 7.44 7.23 1rh1A1 TRP 86 HZ3 -0.00 0.07 -0.14 -0.04 7.13 7.02 1rh1A1 TRP 86 HH2 0.01 0.11 -0.14 -0.04 7.19 7.13 1rh1A1 SER 87 H 0.19 0.20 0.18 -0.55 8.46 8.49 1rh1A1 SER 87 HA 0.03 0.16 0.80 -0.75 4.49 4.72 1rh1A1 SER 87 HB2 0.05 0.38 -0.15 -0.04 3.95 4.19 1rh1A1 SER 87 HB3 0.02 -0.05 -0.15 -0.04 3.93 3.71 1rh1A1 VAL 88 H -0.04 0.73 0.35 -0.55 8.24 8.72 1rh1A1 VAL 88 HA -0.04 0.07 1.02 -0.75 4.13 4.43 1rh1A1 VAL 88 HB -0.09 0.07 -0.06 -0.04 2.12 2.00 1rh1A1 VAL 88 HG13 -0.17 -0.03 -0.19 -0.04 0.97 0.54 1rh1A1 VAL 88 HG23 -0.10 0.01 -0.14 -0.04 0.95 0.68 1rh1A1 SER 89 H -0.07 0.80 0.39 -0.55 8.46 9.03 1rh1A1 SER 89 HA -0.04 0.13 1.03 -0.75 4.49 4.87 1rh1A1 SER 89 HB2 -0.05 -0.04 0.06 -0.04 3.95 3.88 1rh1A1 SER 89 HB3 -0.11 -0.07 0.13 -0.04 3.93 3.84 1rh1A1 VAL 90 H -0.03 0.39 0.05 -0.55 8.24 8.09 1rh1A1 VAL 90 HA -0.04 0.17 0.79 -0.75 4.13 4.29 1rh1A1 VAL 90 HB -0.05 -0.04 0.02 -0.04 2.12 2.01 1rh1A1 VAL 90 HG13 -0.01 0.02 -0.12 -0.04 0.97 0.82 1rh1A1 VAL 90 HG23 0.05 -0.02 -0.17 -0.04 0.95 0.78 1rh1A1 HIS 91 H -0.01 0.56 0.10 -0.55 8.41 8.51 1rh1A1 HIS 91 HA -0.04 0.16 0.92 -0.75 4.63 4.91 1rh1A1 HIS 91 HB2 -0.25 -0.11 -0.23 -0.04 3.26 2.63 1rh1A1 HIS 91 HB3 -0.19 -0.03 -0.12 -0.04 3.20 2.81 1rh1A1 HIS 91 HD2 -0.07 -0.04 -0.08 -0.04 6.97 6.73 1rh1A1 HIS 91 HE1 0.09 -0.06 -0.09 -0.04 7.75 7.65 1rh1A1 SER 92 H -0.41 0.50 0.23 -0.55 8.46 8.23 1rh1A1 SER 92 HA 0.07 -0.00 0.48 -0.75 4.49 4.29 1rh1A1 SER 92 HB2 -0.15 0.10 0.11 -0.04 3.95 3.96 1rh1A1 SER 92 HB3 0.09 0.08 0.00 -0.04 3.93 4.05 1rh1A1 PRO 93 HA 0.21 0.01 0.63 -0.51 4.44 4.78 1rh1A1 PRO 93 HB2 0.09 -0.02 0.16 -0.04 2.28 2.47 1rh1A1 PRO 93 HB3 0.06 0.03 0.11 -0.04 2.02 2.18 1rh1A1 PRO 93 HG2 0.05 -0.01 0.12 -0.04 2.03 2.15 1rh1A1 PRO 93 HG3 0.08 0.03 0.13 -0.04 2.03 2.24 1rh1A1 PRO 93 HD2 0.08 0.07 0.24 -0.04 3.68 4.03 1rh1A1 PRO 93 HD3 0.10 0.12 0.19 -0.04 3.65 4.01 1rh1A1 TRP 94 H 0.23 0.32 0.29 -0.55 7.97 8.27 1rh1A1 TRP 94 HA -0.08 -0.02 0.30 -0.75 4.62 4.06 1rh1A1 TRP 94 HB2 0.00 0.16 0.05 -0.04 3.23 3.40 1rh1A1 TRP 94 HB3 -0.43 0.02 0.01 -0.04 3.23 2.79 1rh1A1 TRP 94 HD1 -0.05 0.03 0.10 -0.04 7.22 7.26 1rh1A1 TRP 94 HE1 -0.08 0.01 0.08 -0.04 10.20 10.17 1rh1A1 TRP 94 HE3 -1.98 0.03 -0.29 -0.04 7.59 5.31 1rh1A1 TRP 94 HZ2 -0.11 -0.09 -0.23 -0.04 7.44 6.97 1rh1A1 TRP 94 HZ3 -0.45 0.06 -0.16 -0.04 7.13 6.54 1rh1A1 TRP 94 HH2 -0.13 0.31 -0.66 -0.04 7.19 6.67 1rh1A1 GLY 95 H -1.19 0.04 0.10 -0.55 8.43 6.83 1rh1A1 GLY 95 HA2 -1.19 -0.09 0.40 -0.51 4.01 2.62 1rh1A1 GLY 95 HA3 -1.06 0.18 0.25 -0.51 4.01 2.87 1rh1A1 ASN 96 H -0.39 0.57 0.28 -0.55 8.53 8.44 1rh1A1 ASN 96 HA -0.17 -0.01 0.57 -0.75 4.76 4.39 1rh1A1 ASN 96 HB2 -0.12 0.12 0.20 -0.04 2.88 3.04 1rh1A1 ASN 96 HB3 -0.11 -0.03 0.05 -0.04 2.79 2.66 1rh1A1 ASN 96 HD21 -0.14 -0.09 -0.10 -0.04 7.03 6.65 1rh1A1 ASN 96 HD22 -0.11 0.04 -0.15 -0.04 7.74 7.48 1rh1A1 GLU 97 H -0.09 0.15 0.29 -0.55 8.60 8.40 1rh1A1 GLU 97 HA -0.01 0.28 0.96 -0.75 4.29 4.77 1rh1A1 GLU 97 HB2 -0.04 -0.22 0.08 -0.04 2.09 1.87 1rh1A1 GLU 97 HB3 -0.01 0.20 -0.04 -0.04 1.99 2.11 1rh1A1 GLU 97 HG2 -0.03 0.21 0.06 -0.04 2.34 2.54 1rh1A1 GLU 97 HG3 -0.07 0.11 0.16 -0.04 2.34 2.49 1rh1A1 LYS 98 H 0.02 0.29 0.19 -0.55 8.42 8.36 1rh1A1 LYS 98 HA -0.00 0.17 0.89 -0.75 4.32 4.63 1rh1A1 LYS 98 HB2 0.08 0.05 0.04 -0.04 1.87 2.00 1rh1A1 LYS 98 HB3 0.21 0.08 0.13 -0.04 1.79 2.17 1rh1A1 LYS 98 HG2 0.11 0.14 -0.06 -0.04 1.46 1.61 1rh1A1 LYS 98 HG3 0.13 -0.10 0.12 -0.04 1.46 1.57 1rh1A1 LYS 98 HD2 0.04 -0.07 0.00 -0.04 1.69 1.62 1rh1A1 LYS 98 HD3 0.02 -0.08 0.10 -0.04 1.68 1.69 1rh1A1 LYS 98 HE2 0.02 0.04 -0.11 -0.04 2.99 2.89 1rh1A1 LYS 98 HE3 0.03 0.07 -0.06 -0.04 2.99 2.99 1rh1A1 VAL 99 H -0.16 0.17 0.01 -0.55 8.24 7.70 1rh1A1 VAL 99 HA -0.34 0.11 0.34 -0.75 4.13 3.48 1rh1A1 VAL 99 HB -0.25 0.01 0.06 -0.04 2.12 1.90 1rh1A1 VAL 99 HG13 -0.38 0.02 -0.08 -0.04 0.97 0.49 1rh1A1 VAL 99 HG23 -0.77 0.02 0.11 -0.04 0.95 0.27 1rh1A1 SER 100 H -0.11 0.15 -0.12 -0.55 8.46 7.83 1rh1A1 SER 100 HA -0.13 0.09 0.35 -0.75 4.49 4.05 1rh1A1 SER 100 HB2 -0.09 0.03 0.08 -0.04 3.95 3.93 1rh1A1 SER 100 HB3 -0.07 0.05 0.04 -0.04 3.93 3.90 1rh1A1 ALA 101 H -0.05 0.17 -0.42 -0.55 8.40 7.56 1rh1A1 ALA 101 HA -0.03 0.09 0.53 -0.75 4.34 4.17 1rh1A1 ALA 101 HB3 -0.00 0.05 0.08 -0.04 1.41 1.49 1rh1A1 ALA 102 H 0.00 0.39 0.01 -0.55 8.40 8.26 1rh1A1 ALA 102 HA 0.04 -0.02 0.42 -0.75 4.34 4.03 1rh1A1 ALA 102 HB3 0.10 0.07 0.01 -0.04 1.41 1.55 1rh1A1 ARG 103 H -0.09 0.43 -0.32 -0.55 8.46 7.92 1rh1A1 ARG 103 HA -0.15 0.07 0.42 -0.75 4.34 3.92 1rh1A1 ARG 103 HB2 -0.27 0.04 0.02 -0.04 1.90 1.64 1rh1A1 ARG 103 HB3 -0.18 0.09 0.10 -0.04 1.80 1.77 1rh1A1 ARG 103 HG2 -0.28 -0.02 -0.17 -0.04 1.67 1.17 1rh1A1 ARG 103 HG3 -0.71 -0.00 0.01 -0.04 1.67 0.92 1rh1A1 ARG 103 HD2 -0.45 0.03 -0.05 -0.04 3.22 2.71 1rh1A1 ARG 103 HD3 -0.68 0.04 -0.05 -0.04 3.22 2.49 1rh1A1 THR 104 H -0.07 0.36 -0.20 -0.55 8.28 7.83 1rh1A1 THR 104 HA -0.05 0.01 0.38 -0.75 4.39 3.98 1rh1A1 THR 104 HB -0.03 0.16 0.20 -0.04 4.32 4.61 1rh1A1 THR 104 HG23 -0.03 -0.02 -0.07 -0.04 1.22 1.07 1rh1A1 VAL 105 H -0.01 0.37 -0.22 -0.55 8.24 7.84 1rh1A1 VAL 105 HA -0.03 0.01 0.44 -0.75 4.13 3.80 1rh1A1 VAL 105 HB 0.04 0.13 0.06 -0.04 2.12 2.30 1rh1A1 VAL 105 HG13 0.06 -0.02 -0.09 -0.04 0.97 0.87 1rh1A1 VAL 105 HG23 0.01 0.01 0.01 -0.04 0.95 0.94 1rh1A1 LEU 106 H 0.03 0.43 -0.30 -0.55 8.37 7.98 1rh1A1 LEU 106 HA 0.22 0.01 0.23 -0.75 4.35 4.05 1rh1A1 LEU 106 HB2 0.08 0.13 0.16 -0.04 1.64 1.96 1rh1A1 LEU 106 HB3 0.15 0.02 0.01 -0.04 1.64 1.78 1rh1A1 LEU 106 HG 0.16 -0.02 -0.13 -0.04 1.64 1.61 1rh1A1 LEU 106 HD13 0.30 -0.02 -0.25 -0.04 0.93 0.91 1rh1A1 LEU 106 HD23 0.29 -0.00 -0.21 -0.04 0.89 0.92 1rh1A1 GLU 107 H 0.02 0.74 -0.02 -0.55 8.60 8.80 1rh1A1 GLU 107 HA 0.07 0.01 0.27 -0.75 4.29 3.90 1rh1A1 GLU 107 HB2 -0.01 0.04 0.15 -0.04 2.09 2.23 1rh1A1 GLU 107 HB3 0.02 -0.04 -0.03 -0.04 1.99 1.90 1rh1A1 GLU 107 HG2 0.18 -0.02 -0.01 -0.04 2.34 2.44 1rh1A1 GLU 107 HG3 0.03 0.14 0.03 -0.04 2.34 2.49 1rh1A1 ASN 108 H -0.05 0.52 -0.06 -0.55 8.53 8.39 1rh1A1 ASN 108 HA -0.07 -0.02 0.42 -0.75 4.76 4.34 1rh1A1 ASN 108 HB2 -0.08 0.09 0.17 -0.04 2.88 3.01 1rh1A1 ASN 108 HB3 -0.09 -0.05 -0.01 -0.04 2.79 2.60 1rh1A1 ASN 108 HD21 -0.03 -0.07 0.02 -0.04 7.03 6.90 1rh1A1 ASN 108 HD22 -0.04 -0.08 0.04 -0.04 7.74 7.63 1rh1A1 GLY 109 H -0.29 0.68 -0.14 -0.55 8.43 8.13 1rh1A1 GLY 109 HA2 -0.50 -0.04 0.31 -0.51 4.01 3.28 1rh1A1 GLY 109 HA3 -1.47 0.03 0.33 -0.51 4.01 2.39 1rh1A1 LEU 110 H -0.19 0.42 -0.44 -0.55 8.37 7.61 1rh1A1 LEU 110 HA 0.06 0.09 0.30 -0.75 4.35 4.05 1rh1A1 LEU 110 HB2 0.01 0.19 0.08 -0.04 1.64 1.89 1rh1A1 LEU 110 HB3 0.04 -0.09 0.01 -0.04 1.64 1.56 1rh1A1 LEU 110 HG 0.19 0.21 -0.09 -0.04 1.64 1.91 1rh1A1 LEU 110 HD13 0.11 -0.05 -0.18 -0.04 0.93 0.77 1rh1A1 LEU 110 HD23 0.16 -0.01 -0.10 -0.04 0.89 0.90 1rh1A1 ARG 111 H -0.09 0.46 -0.28 -0.55 8.46 8.00 1rh1A1 ARG 111 HA -0.02 0.03 0.62 -0.75 4.34 4.22 1rh1A1 ARG 111 HB2 -0.06 0.23 0.12 -0.04 1.90 2.15 1rh1A1 ARG 111 HB3 -0.03 -0.09 0.09 -0.04 1.80 1.73 1rh1A1 ARG 111 HG2 -0.02 -0.08 0.03 -0.04 1.67 1.56 1rh1A1 ARG 111 HG3 -0.03 0.13 0.02 -0.04 1.67 1.75 1rh1A1 ARG 111 HD2 -0.02 -0.08 -0.03 -0.04 3.22 3.04 1rh1A1 ARG 111 HD3 -0.05 0.03 0.07 -0.04 3.22 3.23 1rh1A1 GLY 112 H -0.08 0.44 -0.41 -0.55 8.43 7.84 1rh1A1 GLY 112 HA2 -0.01 0.06 0.73 -0.51 4.01 4.28 1rh1A1 GLY 112 HA3 -0.03 -0.03 0.32 -0.51 4.01 3.77 1rh1A1 GLY 113 H 0.02 0.18 -0.45 -0.55 8.43 7.63 1rh1A1 GLY 113 HA2 0.05 -0.06 0.31 -0.51 4.01 3.81 1rh1A1 GLY 113 HA3 0.05 0.09 0.50 -0.51 4.01 4.15 1rh1A1 LEU 114 H 0.07 0.01 0.07 -0.55 8.37 7.97 1rh1A1 LEU 114 HA 0.15 0.12 0.43 -0.75 4.35 4.29 1rh1A1 LEU 114 HB2 0.04 -0.12 -0.08 -0.04 1.64 1.44 1rh1A1 LEU 114 HB3 0.01 0.12 -0.22 -0.04 1.64 1.51 1rh1A1 LEU 114 HG 0.04 -0.04 0.01 -0.04 1.64 1.62 1rh1A1 LEU 114 HD13 0.01 0.07 -0.02 -0.04 0.93 0.94 1rh1A1 LEU 114 HD23 0.04 0.04 -0.06 -0.04 0.89 0.86 1rh1A1 PRO 115 HA 0.00 0.06 0.52 -0.51 4.44 4.52 1rh1A1 PRO 115 HB2 -0.12 -0.02 0.07 -0.04 2.28 2.17 1rh1A1 PRO 115 HB3 -0.10 -0.04 0.01 -0.04 2.02 1.85 1rh1A1 PRO 115 HG2 -0.54 0.13 -0.32 -0.04 2.03 1.26 1rh1A1 PRO 115 HG3 -0.45 0.09 -0.09 -0.04 2.03 1.54 1rh1A1 PRO 115 HD2 -0.16 0.16 0.18 -0.04 3.68 3.81 1rh1A1 PRO 115 HD3 -0.19 0.15 0.15 -0.04 3.65 3.73 1rh1A1 GLU 116 H -0.03 0.26 -0.13 -0.55 8.60 8.15 1rh1A1 GLU 116 HA 0.07 0.20 0.79 -0.75 4.29 4.59 1rh1A1 GLU 116 HB2 0.06 -0.07 -0.15 -0.04 2.09 1.89 1rh1A1 GLU 116 HB3 0.00 0.02 0.06 -0.04 1.99 2.03 1rh1A1 GLU 116 HG2 0.35 -0.05 -0.06 -0.04 2.34 2.55 1rh1A1 GLU 116 HG3 0.27 0.14 -0.14 -0.04 2.34 2.57 1rh1A1 PRO 117 HA 0.04 -0.09 0.57 -0.51 4.44 4.45 1rh1A1 PRO 117 HB2 0.05 0.02 -0.03 -0.04 2.28 2.28 1rh1A1 PRO 117 HB3 0.04 0.02 0.09 -0.04 2.02 2.14 1rh1A1 PRO 117 HG2 0.08 0.02 0.09 -0.04 2.03 2.18 1rh1A1 PRO 117 HG3 0.04 0.02 0.06 -0.04 2.03 2.12 1rh1A1 PRO 117 HD2 0.07 0.12 0.20 -0.04 3.68 4.03 1rh1A1 PRO 117 HD3 0.05 0.23 -0.02 -0.04 3.65 3.87 1rh1A1 SER 118 H 0.03 0.11 0.22 -0.55 8.46 8.27 1rh1A1 SER 118 HA 0.02 -0.02 0.31 -0.75 4.49 4.05 1rh1A1 SER 118 HB2 0.06 -0.04 0.18 -0.04 3.95 4.11 1rh1A1 SER 118 HB3 0.07 -0.06 -0.10 -0.04 3.93 3.79 1rh1A1 ARG 119 H -0.01 0.29 0.07 -0.55 8.46 8.26 1rh1A1 ARG 119 HA -0.10 0.19 0.77 -0.75 4.34 4.44 1rh1A1 ARG 119 HB2 -0.09 0.09 -0.14 -0.04 1.90 1.72 1rh1A1 ARG 119 HB3 -0.23 0.01 -0.05 -0.04 1.80 1.49 1rh1A1 ARG 119 HG2 -0.28 0.09 0.06 -0.04 1.67 1.50 1rh1A1 ARG 119 HG3 -0.17 -0.01 -0.37 -0.04 1.67 1.08 1rh1A1 ARG 119 HD2 -0.97 -0.00 -0.02 -0.04 3.22 2.18 1rh1A1 ARG 119 HD3 -0.69 -0.08 -0.09 -0.04 3.22 2.31 1rh1A1 PRO 120 HA -0.04 0.04 0.29 -0.51 4.44 4.22 1rh1A1 PRO 120 HB2 -0.04 -0.05 0.14 -0.04 2.28 2.28 1rh1A1 PRO 120 HB3 -0.05 -0.03 0.05 -0.04 2.02 1.95 1rh1A1 PRO 120 HG2 -0.11 -0.10 -0.03 -0.04 2.03 1.75 1rh1A1 PRO 120 HG3 -0.08 0.11 0.05 -0.04 2.03 2.07 1rh1A1 PRO 120 HD2 -0.19 0.13 0.15 -0.04 3.68 3.73 1rh1A1 PRO 120 HD3 -0.10 0.26 0.19 -0.04 3.65 3.96 1rh1A1 ALA 121 H -0.01 0.76 0.51 -0.55 8.40 9.12 1rh1A1 ALA 121 HA -0.16 0.16 1.07 -0.75 4.34 4.65 1rh1A1 ALA 121 HB3 -0.07 0.00 0.06 -0.04 1.41 1.36 1rh1A1 ALA 122 H -0.17 0.76 0.23 -0.55 8.40 8.67 1rh1A1 ALA 122 HA 0.04 0.38 1.08 -0.75 4.34 5.09 1rh1A1 ALA 122 HB3 -0.03 -0.03 -0.34 -0.04 1.41 0.97 1rh1A1 VAL 123 H 0.08 0.37 0.18 -0.55 8.24 8.32 1rh1A1 VAL 123 HA 0.03 0.35 0.61 -0.75 4.13 4.37 1rh1A1 VAL 123 HB 0.10 0.05 0.11 -0.04 2.12 2.33 1rh1A1 VAL 123 HG13 0.07 0.01 -0.26 -0.04 0.97 0.74 1rh1A1 VAL 123 HG23 0.17 -0.02 -0.42 -0.04 0.95 0.65 1rh1A1 SER 124 H -0.01 0.43 0.15 -0.55 8.46 8.48 1rh1A1 SER 124 HA 0.04 0.00 0.59 -0.75 4.49 4.36 1rh1A1 SER 124 HB2 0.11 0.01 0.02 -0.04 3.95 4.05 1rh1A1 SER 124 HB3 -0.08 -0.03 0.05 -0.04 3.93 3.82 1rh1A1 PHE 125 H -0.23 0.60 0.51 -0.55 8.34 8.67 1rh1A1 PHE 125 HA 0.03 0.13 0.80 -0.75 4.62 4.83 1rh1A1 PHE 125 HB2 0.02 -0.10 -0.10 -0.04 3.15 2.93 1rh1A1 PHE 125 HB3 0.02 0.01 -0.07 -0.04 3.06 2.97 1rh1A1 PHE 125 HD2 0.03 -0.04 -0.14 -0.04 7.28 7.10 1rh1A1 PHE 125 HE2 0.05 0.10 -0.20 -0.04 7.38 7.29 1rh1A1 PHE 125 HZ 0.06 -0.00 -0.14 -0.04 7.32 7.20 1rh1A1 ALA 126 H -0.32 0.37 0.36 -0.55 8.40 8.28 1rh1A1 ALA 126 HA -0.01 -0.00 0.86 -0.75 4.34 4.44 1rh1A1 ALA 126 HB3 -0.11 -0.00 -0.07 -0.04 1.41 1.18 1rh1A1 ARG 127 H -0.05 0.94 0.40 -0.55 8.46 9.20 1rh1A1 ARG 127 HA -0.37 0.07 0.88 -0.75 4.34 4.17 1rh1A1 ARG 127 HB2 -0.03 0.03 0.02 -0.04 1.90 1.88 1rh1A1 ARG 127 HB3 -0.09 -0.04 0.12 -0.04 1.80 1.74 1rh1A1 ARG 127 HG2 -0.29 -0.00 -0.28 -0.04 1.67 1.05 1rh1A1 ARG 127 HG3 -0.92 0.04 -0.04 -0.04 1.67 0.72 1rh1A1 ARG 127 HD2 -0.10 0.01 -0.09 -0.04 3.22 3.00 1rh1A1 ARG 127 HD3 0.05 0.03 -0.07 -0.04 3.22 3.18 1rh1A1 LEU 128 H -0.35 0.55 0.29 -0.55 8.37 8.32 1rh1A1 LEU 128 HA -0.10 0.18 1.11 -0.75 4.35 4.78 1rh1A1 LEU 128 HB2 -0.15 0.20 0.09 -0.04 1.64 1.74 1rh1A1 LEU 128 HB3 -0.08 -0.02 -0.08 -0.04 1.64 1.42 1rh1A1 LEU 128 HG -0.05 0.12 -0.03 -0.04 1.64 1.64 1rh1A1 LEU 128 HD13 -0.09 0.00 -0.38 -0.04 0.93 0.42 1rh1A1 LEU 128 HD23 -0.05 -0.04 -0.20 -0.04 0.89 0.57 1rh1A1 GLU 129 H -0.06 0.31 0.18 -0.55 8.60 8.48 1rh1A1 GLU 129 HA -0.06 0.08 0.56 -0.75 4.29 4.11 1rh1A1 GLU 129 HB2 -0.03 -0.06 0.14 -0.04 2.09 2.11 1rh1A1 GLU 129 HB3 -0.03 0.05 0.05 -0.04 1.99 2.03 1rh1A1 GLU 129 HG2 -0.04 0.05 -0.00 -0.04 2.34 2.31 1rh1A1 GLU 129 HG3 -0.04 -0.02 -0.01 -0.04 2.34 2.22 1rh1A1 PRO 130 HA -0.02 0.15 0.40 -0.51 4.44 4.46 1rh1A1 PRO 130 HB2 -0.01 -0.13 0.10 -0.04 2.28 2.21 1rh1A1 PRO 130 HB3 -0.03 0.04 0.12 -0.04 2.02 2.12 1rh1A1 PRO 130 HG2 -0.01 -0.00 0.09 -0.04 2.03 2.07 1rh1A1 PRO 130 HG3 -0.02 0.04 0.12 -0.04 2.03 2.12 1rh1A1 PRO 130 HD2 -0.03 0.05 0.24 -0.04 3.68 3.89 1rh1A1 PRO 130 HD3 -0.05 0.20 0.28 -0.04 3.65 4.04 1rh1A1 ALA 131 H 0.00 0.29 -0.08 -0.55 8.40 8.06 1rh1A1 ALA 131 HA 0.01 0.14 0.47 -0.75 4.34 4.20 1rh1A1 ALA 131 HB3 0.02 -0.03 -0.04 -0.04 1.41 1.33 1rh1A1 SER 132 H 0.01 0.16 0.13 -0.55 8.46 8.22 1rh1A1 SER 132 HA 0.01 0.21 0.52 -0.75 4.49 4.48 1rh1A1 SER 132 HB2 0.01 0.07 0.13 -0.04 3.95 4.11 1rh1A1 SER 132 HB3 0.01 0.12 0.12 -0.04 3.93 4.14 1rh1A1 GLY 133 H 0.02 0.12 -0.26 -0.55 8.43 7.77 1rh1A1 GLY 133 HA2 0.02 0.02 0.30 -0.51 4.01 3.84 1rh1A1 GLY 133 HA3 0.02 0.17 0.48 -0.51 4.01 4.17 1rh1A1 ASN 134 H 0.01 0.09 -1.05 -0.55 8.53 7.04 1rh1A1 ASN 134 HA 0.01 0.07 0.38 -0.75 4.76 4.47 1rh1A1 ASN 134 HB2 0.01 0.03 0.02 -0.04 2.88 2.89 1rh1A1 ASN 134 HB3 0.01 -0.09 0.14 -0.04 2.79 2.81 1rh1A1 ASN 134 HD21 0.01 0.09 -0.06 -0.04 7.03 7.03 1rh1A1 ASN 134 HD22 0.01 -0.07 -0.16 -0.04 7.74 7.47 1rh1A1 GLU 135 H 0.01 0.32 -0.64 -0.55 8.60 7.74 1rh1A1 GLU 135 HA 0.01 0.20 1.06 -0.75 4.29 4.80 1rh1A1 GLU 135 HB2 0.01 0.03 -0.04 -0.04 2.09 2.05 1rh1A1 GLU 135 HB3 0.01 0.15 -0.01 -0.04 1.99 2.10 1rh1A1 GLU 135 HG2 0.01 0.06 -0.05 -0.04 2.34 2.33 1rh1A1 GLU 135 HG3 0.01 -0.19 -0.48 -0.04 2.34 1.64 1rh1A1 GLN 136 H -0.00 0.15 0.18 -0.55 8.47 8.26 1rh1A1 GLN 136 HA -0.01 0.01 0.78 -0.75 4.36 4.39 1rh1A1 GLN 136 HB2 -0.00 -0.12 0.07 -0.04 2.15 2.05 1rh1A1 GLN 136 HB3 -0.01 0.01 0.12 -0.04 2.02 2.11 1rh1A1 GLN 136 HG2 -0.01 0.02 -0.01 -0.04 2.40 2.36 1rh1A1 GLN 136 HG3 -0.02 0.07 -0.20 -0.04 2.39 2.20 1rh1A1 GLN 136 HE21 -0.01 0.04 0.00 -0.04 6.97 6.96 1rh1A1 GLN 136 HE22 -0.01 0.01 -0.01 -0.04 7.69 7.64 1rh1A1 LYS 137 H -0.01 -0.12 0.08 -0.55 8.42 7.82 1rh1A1 LYS 137 HA -0.05 0.17 0.64 -0.75 4.32 4.33 1rh1A1 LYS 137 HB2 -0.00 -0.10 0.07 -0.04 1.87 1.79 1rh1A1 LYS 137 HB3 -0.02 0.08 -0.08 -0.04 1.79 1.72 1rh1A1 LYS 137 HG2 -0.02 -0.17 -0.00 -0.04 1.46 1.23 1rh1A1 LYS 137 HG3 -0.01 0.05 -0.01 -0.04 1.46 1.44 1rh1A1 LYS 137 HD2 -0.06 0.29 -0.07 -0.04 1.69 1.81 1rh1A1 LYS 137 HD3 -0.06 -0.01 -0.01 -0.04 1.68 1.56 1rh1A1 LYS 137 HE2 -0.05 0.04 0.02 -0.04 2.99 2.95 1rh1A1 LYS 137 HE3 -0.03 -0.12 -0.06 -0.04 2.99 2.74 1rh1A1 ILE 138 H -0.09 0.20 0.14 -0.55 8.25 7.94 1rh1A1 ILE 138 HA -0.02 0.17 0.81 -0.75 4.18 4.39 1rh1A1 ILE 138 HB -0.20 -0.09 0.20 -0.04 1.89 1.77 1rh1A1 ILE 138 HG12 -0.04 0.01 -0.16 -0.04 1.49 1.26 1rh1A1 ILE 138 HG13 -0.07 0.01 -0.16 -0.04 1.21 0.95 1rh1A1 ILE 138 HG23 -0.06 0.02 -0.10 -0.04 0.93 0.75 1rh1A1 ILE 138 HD13 -0.10 0.01 -0.04 -0.04 0.88 0.72 1rh1A1 ILE 139 H 0.03 0.20 0.05 -0.55 8.25 7.99 1rh1A1 ILE 139 HA 0.12 0.18 0.73 -0.75 4.18 4.46 1rh1A1 ILE 139 HB 0.06 -0.04 0.06 -0.04 1.89 1.93 1rh1A1 ILE 139 HG12 0.05 -0.00 -0.08 -0.04 1.49 1.42 1rh1A1 ILE 139 HG13 0.05 -0.02 -0.18 -0.04 1.21 1.01 1rh1A1 ILE 139 HG23 0.08 0.00 -0.12 -0.04 0.93 0.84 1rh1A1 ILE 139 HD13 0.02 0.03 -0.07 -0.04 0.88 0.82 1rh1A1 ARG 140 H 0.19 0.57 0.28 -0.55 8.46 8.95 1rh1A1 ARG 140 HA 0.13 0.13 0.51 -0.75 4.34 4.36 1rh1A1 ARG 140 HB2 0.45 -0.00 -0.36 -0.04 1.90 1.95 1rh1A1 ARG 140 HB3 0.24 -0.06 -0.02 -0.04 1.80 1.92 1rh1A1 ARG 140 HG2 0.13 -0.04 -0.21 -0.04 1.67 1.51 1rh1A1 ARG 140 HG3 0.13 0.18 -0.04 -0.04 1.67 1.90 1rh1A1 ARG 140 HD2 0.34 0.03 -0.09 -0.04 3.22 3.46 1rh1A1 ARG 140 HD3 0.16 0.13 -0.15 -0.04 3.22 3.32 1rh1A1 LEU 141 H 0.07 0.50 0.25 -0.55 8.37 8.64 1rh1A1 LEU 141 HA 0.05 0.28 0.90 -0.75 4.35 4.82 1rh1A1 LEU 141 HB2 0.04 -0.07 0.12 -0.04 1.64 1.70 1rh1A1 LEU 141 HB3 0.05 0.01 -0.09 -0.04 1.64 1.56 1rh1A1 LEU 141 HG 0.05 -0.08 -0.05 -0.04 1.64 1.51 1rh1A1 LEU 141 HD13 0.01 -0.00 -0.15 -0.04 0.93 0.74 1rh1A1 LEU 141 HD23 0.04 0.01 -0.22 -0.04 0.89 0.68 1rh1A1 MET 142 H 0.02 0.64 0.43 -0.55 8.47 9.01 1rh1A1 MET 142 HA -0.00 0.58 1.28 -0.75 4.52 5.62 1rh1A1 MET 142 HB2 -0.06 -0.05 0.08 -0.04 2.15 2.08 1rh1A1 MET 142 HB3 -0.08 -0.01 -0.05 -0.04 2.03 1.85 1rh1A1 MET 142 HG2 -0.11 0.08 -0.18 -0.04 2.63 2.37 1rh1A1 MET 142 HG3 -0.09 -0.00 -0.34 -0.04 2.56 2.09 1rh1A1 MET 142 HE3 -0.71 0.00 -0.16 -0.04 2.10 1.19 1rh1A1 VAL 143 H 0.02 0.60 0.40 -0.55 8.24 8.71 1rh1A1 VAL 143 HA 0.09 0.22 0.79 -0.75 4.13 4.47 1rh1A1 VAL 143 HB 0.15 -0.01 -0.17 -0.04 2.12 2.05 1rh1A1 VAL 143 HG13 0.16 -0.03 -0.13 -0.04 0.97 0.93 1rh1A1 VAL 143 HG23 0.22 0.02 -0.18 -0.04 0.95 0.97 1rh1A1 THR 144 H 0.08 0.15 0.12 -0.55 8.28 8.08 1rh1A1 THR 144 HA 0.07 0.37 0.98 -0.75 4.39 5.06 1rh1A1 THR 144 HB 0.06 0.05 -0.18 -0.04 4.32 4.20 1rh1A1 THR 144 HG23 0.07 0.01 -0.28 -0.04 1.22 0.98 1rh1A1 GLN 145 H 0.17 0.73 0.31 -0.55 8.47 9.14 1rh1A1 GLN 145 HA 0.07 0.02 0.56 -0.75 4.36 4.26 1rh1A1 GLN 145 HB2 0.20 0.00 -0.03 -0.04 2.15 2.29 1rh1A1 GLN 145 HB3 0.01 0.08 -0.08 -0.04 2.02 1.99 1rh1A1 GLN 145 HG2 0.10 0.01 -0.41 -0.04 2.40 2.05 1rh1A1 GLN 145 HG3 -0.03 0.02 -0.21 -0.04 2.39 2.13 1rh1A1 GLN 145 HE21 -0.07 -0.05 -0.02 -0.04 6.97 6.78 1rh1A1 GLN 145 HE22 -0.01 0.15 0.23 -0.04 7.69 8.02 1rh1A1 GLN 146 H 0.04 0.09 0.12 -0.55 8.47 8.18 1rh1A1 GLN 146 HA 0.06 0.19 0.60 -0.75 4.36 4.46 1rh1A1 GLN 146 HB2 0.02 -0.06 0.12 -0.04 2.15 2.20 1rh1A1 GLN 146 HB3 0.02 -0.03 0.09 -0.04 2.02 2.07 1rh1A1 GLN 146 HG2 0.03 0.08 0.08 -0.04 2.40 2.55 1rh1A1 GLN 146 HG3 0.05 -0.01 0.10 -0.04 2.39 2.48 1rh1A1 GLN 146 HE21 0.02 0.04 0.05 -0.04 6.97 7.03 1rh1A1 GLN 146 HE22 0.02 -0.07 0.07 -0.04 7.69 7.67 1rh1A1 LEU 147 H 0.04 0.30 0.21 -0.55 8.37 8.38 1rh1A1 LEU 147 HA 0.05 0.07 0.18 -0.75 4.35 3.90 1rh1A1 LEU 147 HB2 0.04 0.17 0.14 -0.04 1.64 1.94 1rh1A1 LEU 147 HB3 0.02 -0.13 0.16 -0.04 1.64 1.64 1rh1A1 LEU 147 HG 0.01 0.07 -0.26 -0.04 1.64 1.42 1rh1A1 LEU 147 HD13 0.04 -0.00 -0.09 -0.04 0.93 0.83 1rh1A1 LEU 147 HD23 0.01 -0.00 -0.09 -0.04 0.89 0.77 1rh1A1 GLU 148 H 0.01 0.02 -0.09 -0.55 8.60 8.00 1rh1A1 GLU 148 HA 0.00 0.47 0.43 -0.75 4.29 4.43 1rh1A1 GLU 148 HB2 0.00 0.04 -0.01 -0.04 2.09 2.08 1rh1A1 GLU 148 HB3 0.00 0.00 0.08 -0.04 1.99 2.04 1rh1A1 GLU 148 HG2 0.01 -0.05 -0.07 -0.04 2.34 2.19 1rh1A1 GLU 148 HG3 0.00 0.03 -0.03 -0.04 2.34 2.30 1rh1A1 GLN 149 H -0.00 0.19 -0.37 -0.55 8.47 7.73 1rh1A1 GLN 149 HA -0.01 0.07 0.39 -0.75 4.36 4.06 1rh1A1 GLN 149 HB2 -0.03 0.10 -0.02 -0.04 2.15 2.16 1rh1A1 GLN 149 HB3 -0.06 -0.02 0.01 -0.04 2.02 1.90 1rh1A1 GLN 149 HG2 -0.03 0.02 -0.00 -0.04 2.40 2.35 1rh1A1 GLN 149 HG3 -0.01 -0.07 -0.00 -0.04 2.39 2.27 1rh1A1 GLN 149 HE21 -0.04 -0.00 -0.02 -0.04 6.97 6.87 1rh1A1 GLN 149 HE22 -0.06 0.02 -0.01 -0.04 7.69 7.59 1rh1A1 VAL 150 H -0.05 0.44 -0.25 -0.55 8.24 7.84 1rh1A1 VAL 150 HA 0.02 0.17 1.00 -0.75 4.13 4.56 1rh1A1 VAL 150 HB -0.34 0.16 0.12 -0.04 2.12 2.01 1rh1A1 VAL 150 HG13 -0.53 -0.03 -0.24 -0.04 0.97 0.13 1rh1A1 VAL 150 HG23 -0.20 0.02 -0.13 -0.04 0.95 0.59 1rh1A1 THR 151 H -0.02 0.44 0.04 -0.55 8.28 8.19 1rh1A1 THR 151 HA -0.04 -0.05 0.51 -0.75 4.39 4.06 1rh1A1 THR 151 HB -0.05 0.06 -0.11 -0.04 4.32 4.18 1rh1A1 THR 151 HG23 -0.01 0.04 -0.11 -0.04 1.22 1.09 1rh1A1 ASP 152 H -0.03 0.14 0.05 -0.55 8.40 8.02 1rh1A1 ASP 152 HA -0.01 0.19 0.75 -0.75 4.63 4.82 1rh1A1 ASP 152 HB2 -0.02 0.01 0.02 -0.04 2.71 2.68 1rh1A1 ASP 152 HB3 -0.01 -0.01 0.07 -0.04 2.70 2.71 1rh1A1 ILE 153 H -0.01 0.08 -0.22 -0.55 8.25 7.55 1rh1A1 ILE 153 HA -0.01 0.10 0.49 -0.75 4.18 4.00 1rh1A1 ILE 153 HB -0.01 -0.00 -0.01 -0.04 1.89 1.83 1rh1A1 ILE 153 HG12 -0.01 -0.02 -0.05 -0.04 1.49 1.37 1rh1A1 ILE 153 HG13 -0.02 -0.01 -0.01 -0.04 1.21 1.13 1rh1A1 ILE 153 HG23 -0.01 0.03 -0.29 -0.04 0.93 0.62 1rh1A1 ILE 153 HD13 -0.01 0.01 0.01 -0.04 0.88 0.85 1rh1A1 PRO 154 HA 0.00 0.04 0.44 -0.51 4.44 4.42 1rh1A1 PRO 154 HB2 -0.00 -0.08 -0.02 -0.04 2.28 2.13 1rh1A1 PRO 154 HB3 -0.00 0.02 0.08 -0.04 2.02 2.08 1rh1A1 PRO 154 HG2 -0.00 0.05 0.05 -0.04 2.03 2.08 1rh1A1 PRO 154 HG3 -0.00 0.11 0.05 -0.04 2.03 2.15 1rh1A1 PRO 154 HD2 -0.00 0.09 0.14 -0.04 3.68 3.87 1rh1A1 PRO 154 HD3 -0.01 0.23 0.28 -0.04 3.65 4.11 1rh1A1 ALA 155 H 0.00 0.15 0.15 -0.55 8.40 8.15 1rh1A1 ALA 155 HA 0.01 0.14 0.45 -0.75 4.34 4.19 1rh1A1 ALA 155 HB3 0.01 0.00 0.16 -0.04 1.41 1.54 1rh1A1 SER 156 H 0.00 0.02 -0.19 -0.55 8.46 7.74 1rh1A1 SER 156 HA 0.00 0.10 0.26 -0.75 4.49 4.09 1rh1A1 SER 156 HB2 -0.00 0.02 -0.09 -0.04 3.95 3.83 1rh1A1 SER 156 HB3 -0.00 0.04 0.06 -0.04 3.93 3.99 1rh1A1 GLN 157 H -0.00 0.41 -0.69 -0.55 8.47 7.64 1rh1A1 GLN 157 HA -0.00 0.17 0.81 -0.75 4.36 4.59 1rh1A1 GLN 157 HB2 -0.00 -0.02 0.03 -0.04 2.15 2.12 1rh1A1 GLN 157 HB3 -0.00 -0.02 0.11 -0.04 2.02 2.06 1rh1A1 GLN 157 HG2 -0.00 0.02 0.02 -0.04 2.40 2.40 1rh1A1 GLN 157 HG3 -0.00 -0.05 -0.32 -0.04 2.39 1.97 1rh1A1 GLN 157 HE21 -0.00 -0.02 0.01 -0.04 6.97 6.92 1rh1A1 GLN 157 HE22 -0.01 0.03 0.02 -0.04 7.69 7.69 1rh1A1 LEU 158 H -0.00 0.34 -0.11 -0.55 8.37 8.06 1rh1A1 LEU 158 HA -0.00 -0.01 0.42 -0.75 4.35 4.00 1rh1A1 LEU 158 HB2 -0.00 0.05 0.10 -0.04 1.64 1.74 1rh1A1 LEU 158 HB3 -0.00 0.05 0.01 -0.04 1.64 1.65 1rh1A1 LEU 158 HG 0.01 -0.00 0.12 -0.04 1.64 1.72 1rh1A1 LEU 158 HD13 0.01 -0.03 0.04 -0.04 0.93 0.91 1rh1A1 LEU 158 HD23 0.01 -0.02 -0.06 -0.04 0.89 0.78 1rh1A1 PRO 159 HA -0.01 0.05 0.50 -0.51 4.44 4.48 1rh1A1 PRO 159 HB2 -0.01 0.09 -0.16 -0.04 2.28 2.16 1rh1A1 PRO 159 HB3 -0.01 -0.02 0.06 -0.04 2.02 2.01 1rh1A1 PRO 159 HG2 -0.01 0.04 -0.31 -0.04 2.03 1.71 1rh1A1 PRO 159 HG3 -0.01 0.05 0.04 -0.04 2.03 2.07 1rh1A1 PRO 159 HD2 -0.01 0.06 0.07 -0.04 3.68 3.76 1rh1A1 PRO 159 HD3 -0.01 0.09 0.20 -0.04 3.65 3.90 1rh1A1 ALA 160 H -0.01 0.06 0.09 -0.55 8.40 7.99 1rh1A1 ALA 160 HA -0.01 0.06 0.55 -0.75 4.34 4.19 1rh1A1 ALA 160 HB3 -0.01 -0.01 0.04 -0.04 1.41 1.40 1rh1A1 ALA 161 H -0.02 0.05 0.04 -0.55 8.40 7.93 1rh1A1 ALA 161 HA -0.02 0.05 0.08 -0.75 4.34 3.70 1rh1A1 ALA 161 HB3 -0.03 -0.01 -0.04 -0.04 1.41 1.29 1rh1A1 GLY 162 H -0.01 0.75 0.34 -0.55 8.43 8.96 1rh1A1 GLY 162 HA2 0.00 -0.02 0.40 -0.51 4.01 3.88 1rh1A1 GLY 162 HA3 -0.00 0.06 0.64 -0.51 4.01 4.19 1rh1A1 ASN 163 H -0.01 0.23 0.15 -0.55 8.53 8.36 1rh1A1 ASN 163 HA -0.01 0.05 0.54 -0.75 4.76 4.58 1rh1A1 ASN 163 HB2 -0.01 0.12 -0.08 -0.04 2.88 2.87 1rh1A1 ASN 163 HB3 -0.01 0.00 0.03 -0.04 2.79 2.77 1rh1A1 ASN 163 HD21 -0.01 -0.11 -0.13 -0.04 7.03 6.75 1rh1A1 ASN 163 HD22 -0.01 0.50 -0.42 -0.04 7.74 7.77 1rh1A1 ASN 164 H -0.02 0.12 0.10 -0.55 8.53 8.18 1rh1A1 ASN 164 HA -0.01 0.17 0.61 -0.75 4.76 4.78 1rh1A1 ASN 164 HB2 -0.03 -0.02 0.04 -0.04 2.88 2.82 1rh1A1 ASN 164 HB3 -0.03 0.04 -0.21 -0.04 2.79 2.55 1rh1A1 ASN 164 HD21 -0.04 -0.05 -0.19 -0.04 7.03 6.72 1rh1A1 ASN 164 HD22 -0.06 -0.05 -0.04 -0.04 7.74 7.55 1rh1A1 VAL 165 H -0.01 0.67 0.29 -0.55 8.24 8.65 1rh1A1 VAL 165 HA -0.01 0.19 0.87 -0.75 4.13 4.42 1rh1A1 VAL 165 HB -0.00 -0.01 0.05 -0.04 2.12 2.11 1rh1A1 VAL 165 HG13 0.01 0.05 0.00 -0.04 0.97 0.99 1rh1A1 VAL 165 HG23 -0.01 0.05 -0.04 -0.04 0.95 0.91 1rh1A1 PRO 166 HA -0.03 0.16 0.68 -0.51 4.44 4.74 1rh1A1 PRO 166 HB2 -0.03 -0.06 0.12 -0.04 2.28 2.27 1rh1A1 PRO 166 HB3 -0.03 0.07 0.08 -0.04 2.02 2.10 1rh1A1 PRO 166 HG2 -0.02 0.01 0.07 -0.04 2.03 2.05 1rh1A1 PRO 166 HG3 -0.02 0.05 0.03 -0.04 2.03 2.04 1rh1A1 PRO 166 HD2 -0.02 0.09 0.23 -0.04 3.68 3.95 1rh1A1 PRO 166 HD3 -0.02 0.25 0.12 -0.04 3.65 3.96 1rh1A1 VAL 167 H -0.04 0.53 0.21 -0.55 8.24 8.39 1rh1A1 VAL 167 HA -0.05 0.13 0.97 -0.75 4.13 4.41 1rh1A1 VAL 167 HB -0.09 0.17 0.08 -0.04 2.12 2.24 1rh1A1 VAL 167 HG13 -0.01 0.01 -0.22 -0.04 0.97 0.70 1rh1A1 VAL 167 HG23 -0.03 -0.05 -0.40 -0.04 0.95 0.43 1rh1A1 LYS 168 H -0.11 0.75 0.40 -0.55 8.42 8.91 1rh1A1 LYS 168 HA -0.21 0.25 1.23 -0.75 4.32 4.85 1rh1A1 LYS 168 HB2 -0.48 -0.03 0.02 -0.04 1.87 1.33 1rh1A1 LYS 168 HB3 -0.17 -0.06 -0.03 -0.04 1.79 1.49 1rh1A1 LYS 168 HG2 -0.07 -0.06 -0.31 -0.04 1.46 0.98 1rh1A1 LYS 168 HG3 -0.08 0.08 -0.28 -0.04 1.46 1.14 1rh1A1 LYS 168 HD2 -0.02 -0.01 -0.15 -0.04 1.69 1.48 1rh1A1 LYS 168 HD3 -0.06 -0.06 -0.13 -0.04 1.68 1.40 1rh1A1 LYS 168 HE2 0.01 -0.12 -0.39 -0.04 2.99 2.45 1rh1A1 LYS 168 HE3 0.13 0.11 -0.40 -0.04 2.99 2.78 1rh1A1 TYR 169 H -0.11 0.44 0.29 -0.55 8.29 8.36 1rh1A1 TYR 169 HA -0.05 0.31 0.83 -0.75 4.56 4.90 1rh1A1 TYR 169 HB2 -0.13 0.00 0.12 -0.04 3.06 3.01 1rh1A1 TYR 169 HB3 -0.10 -0.04 0.01 -0.04 2.98 2.82 1rh1A1 TYR 169 HD2 -0.04 0.13 -0.04 -0.04 7.15 7.15 1rh1A1 TYR 169 HE2 -0.02 -0.04 -0.09 -0.04 6.85 6.67 1rh1A1 ARG 170 H 0.11 0.57 0.27 -0.55 8.46 8.86 1rh1A1 ARG 170 HA -0.09 0.13 0.55 -0.75 4.34 4.18 1rh1A1 ARG 170 HB2 0.06 -0.02 -0.09 -0.04 1.90 1.81 1rh1A1 ARG 170 HB3 0.13 -0.00 -0.13 -0.04 1.80 1.75 1rh1A1 ARG 170 HG2 0.08 0.03 -0.02 -0.04 1.67 1.71 1rh1A1 ARG 170 HG3 -0.01 0.02 -0.50 -0.04 1.67 1.14 1rh1A1 ARG 170 HD2 0.03 0.07 -0.19 -0.04 3.22 3.08 1rh1A1 ARG 170 HD3 0.02 -0.03 -0.17 -0.04 3.22 3.00 1rh1A1 LEU 171 H 0.39 0.22 0.02 -0.55 8.37 8.45 1rh1A1 LEU 171 HA 0.25 0.30 1.02 -0.75 4.35 5.16 1rh1A1 LEU 171 HB2 0.48 -0.03 0.03 -0.04 1.64 2.08 1rh1A1 LEU 171 HB3 0.31 -0.00 0.01 -0.04 1.64 1.91 1rh1A1 LEU 171 HG 0.10 0.03 -0.07 -0.04 1.64 1.65 1rh1A1 LEU 171 HD13 -0.03 0.04 -0.26 -0.04 0.93 0.64 1rh1A1 LEU 171 HD23 0.06 -0.02 -0.18 -0.04 0.89 0.71 1rh1A1 THR 172 H 0.17 0.39 0.10 -0.55 8.28 8.39 1rh1A1 THR 172 HA 0.11 0.16 0.61 -0.75 4.39 4.52 1rh1A1 THR 172 HB 0.07 -0.17 0.18 -0.04 4.32 4.35 1rh1A1 THR 172 HG23 0.08 0.01 -0.21 -0.04 1.22 1.07 1rh1A1 ASP 173 H 0.05 0.18 0.15 -0.55 8.40 8.23 1rh1A1 ASP 173 HA 0.01 0.12 1.17 -0.75 4.63 5.18 1rh1A1 ASP 173 HB2 0.01 0.32 0.22 -0.04 2.71 3.21 1rh1A1 ASP 173 HB3 0.02 -0.05 -0.08 -0.04 2.70 2.55 1rh1A1 LEU 174 H 0.05 0.62 0.16 -0.55 8.37 8.65 1rh1A1 LEU 174 HA 0.01 0.16 0.90 -0.75 4.35 4.67 1rh1A1 LEU 174 HB2 0.03 -0.07 -0.18 -0.04 1.64 1.38 1rh1A1 LEU 174 HB3 0.01 0.01 -0.14 -0.04 1.64 1.47 1rh1A1 LEU 174 HG -0.01 -0.03 -0.28 -0.04 1.64 1.27 1rh1A1 LEU 174 HD13 -0.10 0.02 -0.22 -0.04 0.93 0.59 1rh1A1 LEU 174 HD23 -0.03 0.05 -0.05 -0.04 0.89 0.82 1rh1A1 MET 175 H 0.00 0.20 0.08 -0.55 8.47 8.20 1rh1A1 MET 175 HA 0.03 0.08 0.56 -0.75 4.52 4.44 1rh1A1 MET 175 HB2 -0.05 0.03 0.12 -0.04 2.15 2.21 1rh1A1 MET 175 HB3 -0.04 0.01 0.15 -0.04 2.03 2.10 1rh1A1 MET 175 HG2 -0.18 0.03 -0.17 -0.04 2.63 2.26 1rh1A1 MET 175 HG3 -0.09 -0.06 -0.18 -0.04 2.56 2.19 1rh1A1 MET 175 HE3 -0.07 0.01 -0.40 -0.04 2.10 1.60 1rh1A1 GLN 176 H 0.21 0.62 0.21 -0.55 8.47 8.96 1rh1A1 GLN 176 HA -0.01 0.15 1.00 -0.75 4.36 4.75 1rh1A1 GLN 176 HB2 -0.25 0.04 0.13 -0.04 2.15 2.03 1rh1A1 GLN 176 HB3 -0.16 0.01 -0.01 -0.04 2.02 1.83 1rh1A1 GLN 176 HG2 -0.06 0.13 -0.39 -0.04 2.40 2.03 1rh1A1 GLN 176 HG3 -0.20 -0.05 -0.27 -0.04 2.39 1.83 1rh1A1 GLN 176 HE21 -0.20 0.05 -0.05 -0.04 6.97 6.73 1rh1A1 GLN 176 HE22 -0.49 -0.04 -0.05 -0.04 7.69 7.07 1rh1A1 ASN 177 H 0.01 0.19 0.02 -0.55 8.53 8.20 1rh1A1 ASN 177 HA 0.00 0.04 0.31 -0.75 4.76 4.36 1rh1A1 ASN 177 HB2 0.05 0.24 0.17 -0.04 2.88 3.30 1rh1A1 ASN 177 HB3 0.02 -0.01 0.26 -0.04 2.79 3.03 1rh1A1 ASN 177 HD21 -0.01 0.02 -0.05 -0.04 7.03 6.96 1rh1A1 ASN 177 HD22 -0.00 0.06 -0.13 -0.04 7.74 7.62 1rh1A1 GLY 178 H -0.01 0.08 -0.12 -0.55 8.43 7.83 1rh1A1 GLY 178 HA2 -0.04 -0.00 0.18 -0.51 4.01 3.63 1rh1A1 GLY 178 HA3 -0.02 0.12 0.32 -0.51 4.01 3.93 1rh1A1 THR 179 H 0.05 0.29 -0.93 -0.55 8.28 7.14 1rh1A1 THR 179 HA -0.05 0.09 0.80 -0.75 4.39 4.48 1rh1A1 THR 179 HB -0.07 -0.00 0.05 -0.04 4.32 4.26 1rh1A1 THR 179 HG23 0.06 0.06 -0.01 -0.04 1.22 1.29 1rh1A1 GLN 180 H -0.10 0.18 0.11 -0.55 8.47 8.12 1rh1A1 GLN 180 HA 0.01 0.06 0.63 -0.75 4.36 4.31 1rh1A1 GLN 180 HB2 -0.06 -0.06 0.03 -0.04 2.15 2.01 1rh1A1 GLN 180 HB3 -0.08 0.03 0.14 -0.04 2.02 2.07 1rh1A1 GLN 180 HG2 -0.05 0.11 -0.29 -0.04 2.40 2.13 1rh1A1 GLN 180 HG3 -0.02 -0.03 -0.07 -0.04 2.39 2.22 1rh1A1 GLN 180 HE21 0.02 0.26 0.17 -0.04 6.97 7.38 1rh1A1 GLN 180 HE22 -0.01 -0.02 -0.00 -0.04 7.69 7.62 1rh1A1 TYR 181 H 0.16 0.64 0.38 -0.55 8.29 8.92 1rh1A1 TYR 181 HA -0.08 0.10 1.03 -0.75 4.56 4.85 1rh1A1 TYR 181 HB2 -0.06 0.12 0.22 -0.04 3.06 3.31 1rh1A1 TYR 181 HB3 -0.08 0.01 0.08 -0.04 2.98 2.95 1rh1A1 TYR 181 HD2 -0.05 0.04 0.04 -0.04 7.15 7.14 1rh1A1 TYR 181 HE2 -0.03 0.12 -0.01 -0.04 6.85 6.89 1rh1A1 MET 182 H -0.12 0.94 0.45 -0.55 8.47 9.19 1rh1A1 MET 182 HA -0.11 0.15 0.93 -0.75 4.52 4.74 1rh1A1 MET 182 HB2 -0.50 -0.03 0.17 -0.04 2.15 1.75 1rh1A1 MET 182 HB3 -0.51 0.06 0.01 -0.04 2.03 1.54 1rh1A1 MET 182 HG2 -0.08 0.07 -0.17 -0.04 2.63 2.41 1rh1A1 MET 182 HG3 -0.12 -0.03 -0.21 -0.04 2.56 2.15 1rh1A1 MET 182 HE3 0.04 0.01 -0.24 -0.04 2.10 1.87 1rh1A1 ALA 183 H -0.01 0.67 0.24 -0.55 8.40 8.76 1rh1A1 ALA 183 HA 0.09 0.09 1.08 -0.75 4.34 4.85 1rh1A1 ALA 183 HB3 0.05 -0.01 -0.35 -0.04 1.41 1.06 1rh1A1 ILE 184 H 0.22 0.53 0.22 -0.55 8.25 8.67 1rh1A1 ILE 184 HA 0.19 0.30 1.12 -0.75 4.18 5.03 1rh1A1 ILE 184 HB 0.04 -0.08 0.02 -0.04 1.89 1.83 1rh1A1 ILE 184 HG12 0.15 0.10 -0.28 -0.04 1.49 1.42 1rh1A1 ILE 184 HG13 0.06 0.06 0.02 -0.04 1.21 1.31 1rh1A1 ILE 184 HG23 0.08 0.02 0.01 -0.04 0.93 1.01 1rh1A1 ILE 184 HD13 -0.33 -0.03 -0.08 -0.04 0.88 0.41 1rh1A1 ILE 185 H 0.12 0.39 0.22 -0.55 8.25 8.43 1rh1A1 ILE 185 HA 0.08 0.47 1.17 -0.75 4.18 5.15 1rh1A1 ILE 185 HB 0.02 0.03 0.06 -0.04 1.89 1.96 1rh1A1 ILE 185 HG12 0.08 -0.04 -0.08 -0.04 1.49 1.41 1rh1A1 ILE 185 HG13 0.05 -0.03 -0.12 -0.04 1.21 1.07 1rh1A1 ILE 185 HG23 0.03 -0.02 -0.27 -0.04 0.93 0.62 1rh1A1 ILE 185 HD13 0.03 0.01 -0.13 -0.04 0.88 0.74 1rh1A1 GLY 186 H 0.04 0.44 0.44 -0.55 8.43 8.81 1rh1A1 GLY 186 HA2 -0.06 0.10 0.34 -0.51 4.01 3.87 1rh1A1 GLY 186 HA3 0.00 0.11 0.51 -0.51 4.01 4.13 1rh1A1 GLY 187 H -0.12 0.29 0.15 -0.55 8.43 8.20 1rh1A1 GLY 187 HA2 -0.01 0.03 0.35 -0.51 4.01 3.87 1rh1A1 GLY 187 HA3 0.01 0.15 0.67 -0.51 4.01 4.34 1rh1A1 ILE 188 H -0.04 0.12 -0.27 -0.55 8.25 7.51 1rh1A1 ILE 188 HA -0.02 0.20 0.78 -0.75 4.18 4.39 1rh1A1 ILE 188 HB -0.02 0.07 -0.02 -0.04 1.89 1.89 1rh1A1 ILE 188 HG12 -0.04 -0.10 -0.17 -0.04 1.49 1.14 1rh1A1 ILE 188 HG13 -0.03 0.02 -0.47 -0.04 1.21 0.69 1rh1A1 ILE 188 HG23 -0.02 -0.01 -0.39 -0.04 0.93 0.48 1rh1A1 ILE 188 HD13 -0.04 0.01 -0.20 -0.04 0.88 0.62 1rh1A1 PRO 189 HA -0.05 0.10 0.69 -0.51 4.44 4.68 1rh1A1 PRO 189 HB2 -0.01 -0.00 0.17 -0.04 2.28 2.39 1rh1A1 PRO 189 HB3 -0.02 0.03 0.08 -0.04 2.02 2.06 1rh1A1 PRO 189 HG2 -0.01 0.01 0.06 -0.04 2.03 2.04 1rh1A1 PRO 189 HG3 -0.03 0.05 0.01 -0.04 2.03 2.02 1rh1A1 PRO 189 HD2 -0.01 0.09 0.17 -0.04 3.68 3.89 1rh1A1 PRO 189 HD3 -0.02 0.15 0.07 -0.04 3.65 3.81 1rh1A1 MET 190 H -0.06 0.33 0.25 -0.55 8.47 8.44 1rh1A1 MET 190 HA -0.03 0.17 0.85 -0.75 4.52 4.76 1rh1A1 MET 190 HB2 -0.05 0.04 -0.15 -0.04 2.15 1.96 1rh1A1 MET 190 HB3 -0.02 -0.02 -0.04 -0.04 2.03 1.91 1rh1A1 MET 190 HG2 -0.03 0.03 -0.20 -0.04 2.63 2.40 1rh1A1 MET 190 HG3 -0.04 0.13 -0.32 -0.04 2.56 2.28 1rh1A1 MET 190 HE3 -0.06 0.05 -0.38 -0.04 2.10 1.66 1rh1A1 THR 191 H -0.02 0.23 0.14 -0.55 8.28 8.09 1rh1A1 THR 191 HA -0.02 0.20 0.71 -0.75 4.39 4.52 1rh1A1 THR 191 HB -0.04 0.02 -0.26 -0.04 4.32 4.00 1rh1A1 THR 191 HG23 -0.05 -0.04 -0.19 -0.04 1.22 0.90 1rh1A1 VAL 192 H -0.01 0.62 0.18 -0.55 8.24 8.48 1rh1A1 VAL 192 HA -0.01 0.20 0.72 -0.75 4.13 4.28 1rh1A1 VAL 192 HB 0.06 0.01 -0.05 -0.04 2.12 2.09 1rh1A1 VAL 192 HG13 0.10 0.04 -0.31 -0.04 0.97 0.76 1rh1A1 VAL 192 HG23 0.12 0.01 -0.20 -0.04 0.95 0.84 1rh1A1 PRO 193 HA -0.01 0.02 0.48 -0.51 4.44 4.42 1rh1A1 PRO 193 HB2 0.02 0.06 -0.11 -0.04 2.28 2.21 1rh1A1 PRO 193 HB3 0.02 -0.09 -0.04 -0.04 2.02 1.87 1rh1A1 PRO 193 HG2 -0.13 0.09 0.22 -0.04 2.03 2.16 1rh1A1 PRO 193 HG3 -0.05 0.15 0.01 -0.04 2.03 2.10 1rh1A1 PRO 193 HD2 -0.09 0.20 0.25 -0.04 3.68 4.00 1rh1A1 PRO 193 HD3 -0.03 0.05 -0.02 -0.04 3.65 3.61 1rh1A1 VAL 194 H -0.01 0.84 0.42 -0.55 8.24 8.94 1rh1A1 VAL 194 HA -0.02 0.18 0.93 -0.75 4.13 4.47 1rh1A1 VAL 194 HB -0.01 -0.06 0.12 -0.04 2.12 2.12 1rh1A1 VAL 194 HG13 -0.02 0.04 -0.11 -0.04 0.97 0.84 1rh1A1 VAL 194 HG23 -0.00 -0.00 0.04 -0.04 0.95 0.94 1rh1A1 VAL 195 H -0.05 0.64 0.32 -0.55 8.24 8.60 1rh1A1 VAL 195 HA -0.03 0.12 0.97 -0.75 4.13 4.44 1rh1A1 VAL 195 HB -0.04 -0.07 0.06 -0.04 2.12 2.03 1rh1A1 VAL 195 HG13 0.01 0.07 -0.16 -0.04 0.97 0.85 1rh1A1 VAL 195 HG23 -0.08 -0.01 -0.38 -0.04 0.95 0.44 1rh1A1 ASP 196 H -0.05 0.17 0.15 -0.55 8.40 8.13 1rh1A1 ASP 196 HA -0.12 0.25 1.08 -0.75 4.63 5.08 1rh1A1 ASP 196 HB2 -0.04 -0.08 0.05 -0.04 2.71 2.60 1rh1A1 ASP 196 HB3 -0.04 0.01 0.01 -0.04 2.70 2.64 1rh1A1 ALA 197 H -0.26 0.53 0.23 -0.55 8.40 8.36 1rh1A1 ALA 197 HA -0.11 0.28 0.60 -0.75 4.34 4.35 1rh1A1 ALA 197 HB3 -0.49 -0.04 -0.11 -0.04 1.41 0.74 1rh1A1 VAL 198 H 0.03 0.57 0.37 -0.55 8.24 8.65 1rh1A1 VAL 198 HA 0.08 0.13 0.80 -0.75 4.13 4.39 1rh1A1 VAL 198 HB 0.02 0.03 0.18 -0.04 2.12 2.31 1rh1A1 VAL 198 HG13 0.02 0.03 -0.04 -0.04 0.97 0.94 1rh1A1 VAL 198 HG23 0.00 0.01 -0.16 -0.04 0.95 0.77 1rh1A1 PRO 199 HA -0.08 0.15 0.66 -0.51 4.44 4.65 1rh1A1 PRO 199 HB2 -0.04 0.03 0.01 -0.04 2.28 2.24 1rh1A1 PRO 199 HB3 0.06 -0.02 0.13 -0.04 2.02 2.15 1rh1A1 PRO 199 HG2 0.03 0.04 0.10 -0.04 2.03 2.16 1rh1A1 PRO 199 HG3 0.06 0.01 0.09 -0.04 2.03 2.15 1rh1A1 PRO 199 HD2 0.08 0.10 0.26 -0.04 3.68 4.08 1rh1A1 PRO 199 HD3 0.19 0.10 0.20 -0.04 3.65 4.10 1rh1A1 VAL 200 H -0.14 0.41 0.24 -0.55 8.24 8.19 1rh1A1 VAL 200 HA -0.05 0.21 0.78 -0.75 4.13 4.31 1rh1A1 VAL 200 HB -0.10 -0.04 0.00 -0.04 2.12 1.94 1rh1A1 VAL 200 HG13 -0.10 0.03 -0.13 -0.04 0.97 0.74 1rh1A1 VAL 200 HG23 -0.03 -0.02 -0.19 -0.04 0.95 0.68 1rh1A1 PRO 201 HA -0.07 -0.06 0.80 -0.51 4.44 4.60 1rh1A1 PRO 201 HB2 -0.07 0.06 -0.17 -0.04 2.28 2.06 1rh1A1 PRO 201 HB3 -0.05 0.04 0.02 -0.04 2.02 1.99 1rh1A1 PRO 201 HG2 -0.07 0.02 0.09 -0.04 2.03 2.03 1rh1A1 PRO 201 HG3 -0.04 0.04 0.05 -0.04 2.03 2.03 1rh1A1 PRO 201 HD2 -0.05 0.10 0.30 -0.04 3.68 3.99 1rh1A1 PRO 201 HD3 -0.04 0.20 0.07 -0.04 3.65 3.84 1rh1A1 ASP 202 H -0.07 0.36 0.21 -0.55 8.40 8.35 1rh1A1 ASP 202 HA -0.12 0.12 0.66 -0.75 4.63 4.54 1rh1A1 ASP 202 HB2 -0.06 0.00 -0.22 -0.04 2.71 2.39 1rh1A1 ASP 202 HB3 -0.05 0.23 0.04 -0.04 2.70 2.88 1rh1A1 ARG 203 H -0.19 0.80 0.29 -0.55 8.46 8.81 1rh1A1 ARG 203 HA -0.08 0.03 0.32 -0.75 4.34 3.86 1rh1A1 ARG 203 HB2 -0.35 0.06 -0.22 -0.04 1.90 1.36 1rh1A1 ARG 203 HB3 -0.10 0.10 -0.04 -0.04 1.80 1.72 1rh1A1 ARG 203 HG2 -0.24 -0.02 -0.00 -0.04 1.67 1.37 1rh1A1 ARG 203 HG3 -0.07 -0.05 0.04 -0.04 1.67 1.55 1rh1A1 ARG 203 HD2 -0.13 -0.07 -0.02 -0.04 3.22 2.97 1rh1A1 ARG 203 HD3 -0.14 -0.04 -0.15 -0.04 3.22 2.84 1rh1A1 SER 204 H -0.05 -0.08 -0.39 -0.55 8.46 7.39 1rh1A1 SER 204 HA 0.03 0.22 0.64 -0.75 4.49 4.62 1rh1A1 SER 204 HB2 0.03 0.03 0.01 -0.04 3.95 3.97 1rh1A1 SER 204 HB3 0.04 -0.09 -0.25 -0.04 3.93 3.59 1rh1A1 ARG 205 H -0.02 0.15 -0.38 -0.55 8.46 7.65 1rh1A1 ARG 205 HA -0.00 0.16 0.72 -0.75 4.34 4.47 1rh1A1 ARG 205 HB2 -0.01 -0.09 -0.15 -0.04 1.90 1.61 1rh1A1 ARG 205 HB3 -0.02 -0.03 0.14 -0.04 1.80 1.85 1rh1A1 ARG 205 HG2 -0.01 -0.04 0.01 -0.04 1.67 1.59 1rh1A1 ARG 205 HG3 -0.00 0.09 0.05 -0.04 1.67 1.76 1rh1A1 ARG 205 HD2 -0.01 -0.06 -0.04 -0.04 3.22 3.08 1rh1A1 ARG 205 HD3 -0.00 -0.02 -0.01 -0.04 3.22 3.15 1rh1A1 PRO 206 HA -0.02 0.14 0.29 -0.51 4.44 4.35 1rh1A1 PRO 206 HB2 -0.00 -0.02 -0.00 -0.04 2.28 2.21 1rh1A1 PRO 206 HB3 -0.01 -0.00 0.06 -0.04 2.02 2.03 1rh1A1 PRO 206 HG2 0.01 0.01 0.00 -0.04 2.03 2.00 1rh1A1 PRO 206 HG3 -0.00 0.16 -0.07 -0.04 2.03 2.08 1rh1A1 PRO 206 HD2 0.00 0.05 0.08 -0.04 3.68 3.77 1rh1A1 PRO 206 HD3 0.00 0.26 -0.33 -0.04 3.65 3.54 1rh1A1 GLY 207 H -0.02 0.14 0.10 -0.55 8.43 8.11 1rh1A1 GLY 207 HA2 -0.01 -0.03 0.38 -0.51 4.01 3.84 1rh1A1 GLY 207 HA3 -0.01 0.11 0.65 -0.51 4.01 4.25 1rh1A1 THR 208 H -0.02 0.42 -0.45 -0.55 8.28 7.68 1rh1A1 THR 208 HA -0.02 0.06 0.73 -0.75 4.39 4.40 1rh1A1 THR 208 HB -0.02 -0.06 0.13 -0.04 4.32 4.33 1rh1A1 THR 208 HG23 -0.01 0.04 -0.02 -0.04 1.22 1.19 1rh1A1 ASN 209 H -0.03 0.09 0.13 -0.55 8.53 8.18 1rh1A1 ASN 209 HA -0.06 -0.04 0.80 -0.75 4.76 4.71 1rh1A1 ASN 209 HB2 -0.05 -0.06 -0.03 -0.04 2.88 2.70 1rh1A1 ASN 209 HB3 -0.08 0.15 -0.17 -0.04 2.79 2.65 1rh1A1 ASN 209 HD21 -0.00 0.02 -0.04 -0.04 7.03 6.96 1rh1A1 ASN 209 HD22 -0.01 -0.04 -0.03 -0.04 7.74 7.62 1rh1A1 ILE 210 H -0.10 0.85 0.30 -0.55 8.25 8.75 1rh1A1 ILE 210 HA -0.08 -0.02 0.54 -0.75 4.18 3.87 1rh1A1 ILE 210 HB -0.13 0.04 0.08 -0.04 1.89 1.84 1rh1A1 ILE 210 HG12 -0.09 -0.10 -0.03 -0.04 1.49 1.23 1rh1A1 ILE 210 HG13 -0.10 -0.04 -0.26 -0.04 1.21 0.76 1rh1A1 ILE 210 HG23 -0.08 0.02 -0.15 -0.04 0.93 0.67 1rh1A1 ILE 210 HD13 -0.13 0.03 -0.18 -0.04 0.88 0.56 1rh1A1 LYS 211 H -0.07 0.10 0.18 -0.55 8.42 8.08 1rh1A1 LYS 211 HA -0.09 0.01 0.37 -0.75 4.32 3.85 1rh1A1 LYS 211 HB2 -0.04 0.04 0.15 -0.04 1.87 1.98 1rh1A1 LYS 211 HB3 -0.05 -0.02 0.13 -0.04 1.79 1.81 1rh1A1 LYS 211 HG2 -0.04 0.03 -0.15 -0.04 1.46 1.26 1rh1A1 LYS 211 HG3 -0.03 0.01 0.05 -0.04 1.46 1.45 1rh1A1 LYS 211 HD2 -0.02 0.00 0.02 -0.04 1.69 1.65 1rh1A1 LYS 211 HD3 -0.03 -0.02 -0.03 -0.04 1.68 1.56 1rh1A1 LYS 211 HE2 -0.01 -0.01 -0.01 -0.04 2.99 2.92 1rh1A1 LYS 211 HE3 -0.02 0.01 -0.02 -0.04 2.99 2.92 1rh1A1 ASP 212 H -0.15 0.14 0.20 -0.55 8.40 8.04 1rh1A1 ASP 212 HA -0.09 0.05 0.31 -0.75 4.63 4.14 1rh1A1 ASP 212 HB2 -0.04 0.12 -0.34 -0.04 2.71 2.40 1rh1A1 ASP 212 HB3 -0.01 -0.13 0.16 -0.04 2.70 2.69 1rh1A1 VAL 213 H -0.51 0.42 -0.05 -0.55 8.24 7.55 1rh1A1 VAL 213 HA -0.08 0.17 0.86 -0.75 4.13 4.33 1rh1A1 VAL 213 HB -0.17 0.09 -0.14 -0.04 2.12 1.86 1rh1A1 VAL 213 HG13 -0.09 -0.03 -0.17 -0.04 0.97 0.64 1rh1A1 VAL 213 HG23 -0.06 0.00 -0.14 -0.04 0.95 0.70 1rh1A1 TYR 214 H 0.12 0.60 0.33 -0.55 8.29 8.79 1rh1A1 TYR 214 HA 0.04 0.17 0.81 -0.75 4.56 4.83 1rh1A1 TYR 214 HB2 0.27 -0.02 -0.07 -0.04 3.06 3.20 1rh1A1 TYR 214 HB3 0.08 0.00 -0.17 -0.04 2.98 2.85 1rh1A1 TYR 214 HD2 0.11 0.03 -0.26 -0.04 7.15 6.99 1rh1A1 TYR 214 HE2 0.01 0.00 -0.10 -0.04 6.85 6.72 1rh1A1 SER 215 H 0.10 0.71 0.33 -0.55 8.46 9.05 1rh1A1 SER 215 HA 0.04 0.24 1.20 -0.75 4.49 5.22 1rh1A1 SER 215 HB2 0.03 0.02 -0.12 -0.04 3.95 3.84 1rh1A1 SER 215 HB3 0.02 -0.04 -0.07 -0.04 3.93 3.80 1rh1A1 ALA 216 H -0.01 0.68 0.26 -0.55 8.40 8.78 1rh1A1 ALA 216 HA -0.05 0.38 0.97 -0.75 4.34 4.88 1rh1A1 ALA 216 HB3 -0.13 -0.01 -0.22 -0.04 1.41 1.01 1rh1A1 PRO 217 HA 0.02 0.01 0.66 -0.51 4.44 4.62 1rh1A1 PRO 217 HB2 0.01 0.08 0.10 -0.04 2.28 2.43 1rh1A1 PRO 217 HB3 0.01 0.02 0.07 -0.04 2.02 2.08 1rh1A1 PRO 217 HG2 -0.01 0.02 0.07 -0.04 2.03 2.07 1rh1A1 PRO 217 HG3 -0.01 0.05 0.10 -0.04 2.03 2.13 1rh1A1 PRO 217 HD2 -0.05 0.14 0.10 -0.04 3.68 3.84 1rh1A1 PRO 217 HD3 -0.02 0.18 0.11 -0.04 3.65 3.89 1rh1A1 VAL 218 H -0.03 0.32 0.02 -0.55 8.24 8.01 1rh1A1 VAL 218 HA -0.01 0.08 0.40 -0.75 4.13 3.85 1rh1A1 VAL 218 HB -0.14 -0.04 0.00 -0.04 2.12 1.91 1rh1A1 VAL 218 HG13 -0.11 0.03 -0.24 -0.04 0.97 0.62 1rh1A1 VAL 218 HG23 -0.11 0.01 -0.13 -0.04 0.95 0.67 1rh1A1 SER 219 H 0.06 -0.04 -0.09 -0.55 8.46 7.85 1rh1A1 SER 219 HA 0.16 0.08 0.05 -0.75 4.49 4.03 1rh1A1 SER 219 HB2 0.04 -0.15 -0.48 -0.04 3.95 3.31 1rh1A1 SER 219 HB3 -0.01 0.23 -0.36 -0.04 3.93 3.75 1rh1A1 PRO 220 HA -0.04 -0.02 0.31 -0.51 4.44 4.18 1rh1A1 PRO 220 HB2 -0.10 -0.00 -0.00 -0.04 2.28 2.14 1rh1A1 PRO 220 HB3 -0.29 0.10 0.05 -0.04 2.02 1.84 1rh1A1 PRO 220 HG2 0.00 -0.07 0.04 -0.04 2.03 1.97 1rh1A1 PRO 220 HG3 -0.05 0.12 -0.24 -0.04 2.03 1.82 1rh1A1 PRO 220 HD2 0.09 0.25 0.42 -0.04 3.68 4.39 1rh1A1 PRO 220 HD3 0.07 0.14 -0.29 -0.04 3.65 3.53 1rh1A1 ASN 221 H -0.02 0.15 0.04 -0.55 8.53 8.15 1rh1A1 ASN 221 HA -0.01 -0.00 0.31 -0.75 4.76 4.30 1rh1A1 ASN 221 HB2 -0.00 0.25 0.14 -0.04 2.88 3.23 1rh1A1 ASN 221 HB3 -0.02 -0.04 0.06 -0.04 2.79 2.75 1rh1A1 ASN 221 HD21 -0.03 -0.00 -0.12 -0.04 7.03 6.84 1rh1A1 ASN 221 HD22 -0.01 0.12 -0.29 -0.04 7.74 7.52 1rh1A1 LEU 222 H 0.06 0.20 -1.08 -0.55 8.37 7.02 1rh1A1 LEU 222 HA -0.04 0.09 0.52 -0.75 4.35 4.17 1rh1A1 LEU 222 HB2 0.29 0.05 -0.18 -0.04 1.64 1.76 1rh1A1 LEU 222 HB3 -0.13 -0.04 -0.00 -0.04 1.64 1.43 1rh1A1 LEU 222 HG 0.06 0.27 -0.08 -0.04 1.64 1.85 1rh1A1 LEU 222 HD13 0.05 -0.00 -0.09 -0.04 0.93 0.85 1rh1A1 LEU 222 HD23 -0.10 -0.03 -0.12 -0.04 0.89 0.60 1rh1A1 PRO 223 HA 0.07 0.05 0.52 -0.51 4.44 4.57 1rh1A1 PRO 223 HB2 0.07 0.08 0.03 -0.04 2.28 2.41 1rh1A1 PRO 223 HB3 0.01 0.03 0.09 -0.04 2.02 2.11 1rh1A1 PRO 223 HG2 -0.03 -0.00 0.00 -0.04 2.03 1.96 1rh1A1 PRO 223 HG3 -0.10 -0.03 0.05 -0.04 2.03 1.90 1rh1A1 PRO 223 HD2 -0.23 0.07 0.17 -0.04 3.68 3.64 1rh1A1 PRO 223 HD3 -0.09 0.16 0.14 -0.04 3.65 3.82 1rh1A1 ASP 224 H 0.08 0.08 0.08 -0.55 8.40 8.09 1rh1A1 ASP 224 HA 0.09 -0.02 0.35 -0.75 4.63 4.31 1rh1A1 ASP 224 HB2 0.05 -0.02 0.03 -0.04 2.71 2.73 1rh1A1 ASP 224 HB3 0.04 0.03 -0.22 -0.04 2.70 2.51 1rh1A1 LEU 225 H 0.02 0.29 0.33 -0.55 8.37 8.46 1rh1A1 LEU 225 HA 0.06 0.06 0.61 -0.75 4.35 4.33 1rh1A1 LEU 225 HB2 -0.36 0.03 0.07 -0.04 1.64 1.34 1rh1A1 LEU 225 HB3 -0.14 -0.02 0.13 -0.04 1.64 1.57 1rh1A1 LEU 225 HG -0.17 0.06 -0.32 -0.04 1.64 1.17 1rh1A1 LEU 225 HD13 -0.64 -0.03 -0.12 -0.04 0.93 0.10 1rh1A1 LEU 225 HD23 -0.34 0.00 -0.14 -0.04 0.89 0.38 1rh1A1 VAL 226 H 0.03 0.26 0.08 -0.55 8.24 8.06 1rh1A1 VAL 226 HA 0.03 0.18 0.94 -0.75 4.13 4.53 1rh1A1 VAL 226 HB 0.04 0.19 0.45 -0.04 2.12 2.76 1rh1A1 VAL 226 HG13 -0.00 -0.02 -0.17 -0.04 0.97 0.74 1rh1A1 VAL 226 HG23 0.02 -0.00 -0.03 -0.04 0.95 0.89 1rh1A1 LEU 227 H 0.09 0.85 0.35 -0.55 8.37 9.11 1rh1A1 LEU 227 HA 0.03 0.24 0.93 -0.75 4.35 4.80 1rh1A1 LEU 227 HB2 0.30 -0.02 0.06 -0.04 1.64 1.94 1rh1A1 LEU 227 HB3 0.20 -0.00 -0.09 -0.04 1.64 1.71 1rh1A1 LEU 227 HG 0.01 -0.05 -0.51 -0.04 1.64 1.05 1rh1A1 LEU 227 HD13 0.03 -0.00 -0.20 -0.04 0.93 0.72 1rh1A1 LEU 227 HD23 0.02 0.01 -0.19 -0.04 0.89 0.70 1rh1A1 SER 228 H 0.01 0.72 0.32 -0.55 8.46 8.96 1rh1A1 SER 228 HA 0.01 0.19 1.02 -0.75 4.49 4.95 1rh1A1 SER 228 HB2 -0.01 0.01 0.02 -0.04 3.95 3.94 1rh1A1 SER 228 HB3 -0.02 0.01 0.21 -0.04 3.93 4.09 1rh1A1 VAL 229 H 0.06 0.42 0.14 -0.55 8.24 8.32 1rh1A1 VAL 229 HA -0.06 0.18 0.68 -0.75 4.13 4.17 1rh1A1 VAL 229 HB -0.22 0.01 0.07 -0.04 2.12 1.94 1rh1A1 VAL 229 HG13 -0.23 0.01 -0.18 -0.04 0.97 0.53 1rh1A1 VAL 229 HG23 0.06 0.02 -0.21 -0.04 0.95 0.78 1rh1A1 GLY 230 H -0.02 0.16 -0.16 -0.55 8.43 7.86 1rh1A1 GLY 230 HA2 -0.03 0.04 0.39 -0.51 4.01 3.90 1rh1A1 GLY 230 HA3 -0.03 0.04 0.32 -0.51 4.01 3.83 1rh1A1 GLN 231 H -0.04 0.16 -0.11 -0.55 8.47 7.93 1rh1A1 GLN 231 HA -0.05 0.12 0.67 -0.75 4.36 4.35 1rh1A1 GLN 231 HB2 -0.02 -0.02 0.14 -0.04 2.15 2.21 1rh1A1 GLN 231 HB3 -0.02 0.01 -0.00 -0.04 2.02 1.96 1rh1A1 GLN 231 HG2 -0.03 -0.05 0.05 -0.04 2.40 2.33 1rh1A1 GLN 231 HG3 -0.01 0.07 0.04 -0.04 2.39 2.45 1rh1A1 GLN 231 HE21 -0.01 0.01 -0.01 -0.04 6.97 6.91 1rh1A1 GLN 231 HE22 -0.02 -0.02 -0.01 -0.04 7.69 7.60 1rh1A1 MET 232 H -0.10 0.46 -0.32 -0.55 8.47 7.97 1rh1A1 MET 232 HA -0.23 0.23 0.45 -0.75 4.52 4.22 1rh1A1 MET 232 HB2 -0.12 0.24 0.04 -0.04 2.15 2.27 1rh1A1 MET 232 HB3 -0.13 -0.03 0.07 -0.04 2.03 1.90 1rh1A1 MET 232 HG2 -0.14 -0.06 -0.10 -0.04 2.63 2.29 1rh1A1 MET 232 HG3 -0.19 -0.14 0.01 -0.04 2.56 2.20 1rh1A1 MET 232 HE3 -0.04 -0.02 -0.36 -0.04 2.10 1.63 1rh1A1 ASN 233 H -0.14 0.06 -0.14 -0.55 8.53 7.76 1rh1A1 ASN 233 HA -0.30 0.29 1.05 -0.75 4.76 5.04 1rh1A1 ASN 233 HB2 -0.07 -0.03 0.04 -0.04 2.88 2.79 1rh1A1 ASN 233 HB3 -0.03 -0.00 0.13 -0.04 2.79 2.84 1rh1A1 ASN 233 HD21 -0.03 -0.03 -0.00 -0.04 7.03 6.93 1rh1A1 ASN 233 HD22 -0.02 0.05 0.05 -0.04 7.74 7.79 1rh1A1 THR 234 H -0.05 0.17 -0.30 -0.55 8.28 7.56 1rh1A1 THR 234 HA 0.01 0.02 0.28 -0.75 4.39 3.94 1rh1A1 THR 234 HB 0.01 0.05 0.03 -0.04 4.32 4.37 1rh1A1 THR 234 HG23 -0.01 -0.05 0.02 -0.04 1.22 1.14 1rh1A1 PRO 235 HA 0.00 0.02 0.57 -0.51 4.44 4.52 1rh1A1 PRO 235 HB2 -0.01 -0.03 0.09 -0.04 2.28 2.29 1rh1A1 PRO 235 HB3 0.01 0.01 0.05 -0.04 2.02 2.04 1rh1A1 PRO 235 HG2 0.01 0.00 0.08 -0.04 2.03 2.08 1rh1A1 PRO 235 HG3 0.02 0.08 0.08 -0.04 2.03 2.17 1rh1A1 PRO 235 HD2 0.00 0.05 0.20 -0.04 3.68 3.90 1rh1A1 PRO 235 HD3 0.01 0.17 0.16 -0.04 3.65 3.95 1rh1A1 VAL 236 H -0.18 0.21 0.09 -0.55 8.24 7.80 1rh1A1 VAL 236 HA -0.30 0.20 0.84 -0.75 4.13 4.11 1rh1A1 VAL 236 HB -2.04 -0.05 0.16 -0.04 2.12 0.16 1rh1A1 VAL 236 HG13 -1.02 -0.04 -0.09 -0.04 0.97 -0.22 1rh1A1 VAL 236 HG23 -0.68 0.06 -0.12 -0.04 0.95 0.17 1rh1A1 ARG 237 H -0.09 0.23 -0.11 -0.55 8.46 7.95 1rh1A1 ARG 237 HA 0.14 0.21 0.90 -0.75 4.34 4.83 1rh1A1 ARG 237 HB2 0.01 0.02 0.08 -0.04 1.90 1.97 1rh1A1 ARG 237 HB3 0.05 -0.01 0.15 -0.04 1.80 1.95 1rh1A1 ARG 237 HG2 0.09 0.06 -0.10 -0.04 1.67 1.69 1rh1A1 ARG 237 HG3 0.02 -0.12 -0.59 -0.04 1.67 0.94 1rh1A1 ARG 237 HD2 0.02 0.01 -0.06 -0.04 3.22 3.15 1rh1A1 ARG 237 HD3 0.04 -0.00 -0.02 -0.04 3.22 3.19 1rh1A1 SER 238 H -0.00 0.28 -0.57 -0.55 8.46 7.62 1rh1A1 SER 238 HA 0.07 0.14 0.81 -0.75 4.49 4.76 1rh1A1 SER 238 HB2 0.04 0.03 0.07 -0.04 3.95 4.05 1rh1A1 SER 238 HB3 -0.02 -0.00 -0.11 -0.04 3.93 3.76 1rh1A1 ASN 239 H 0.15 0.16 -0.06 -0.55 8.53 8.24 1rh1A1 ASN 239 HA 0.11 0.07 0.39 -0.75 4.76 4.58 1rh1A1 ASN 239 HB2 0.07 0.03 0.04 -0.04 2.88 2.98 1rh1A1 ASN 239 HB3 0.09 0.00 0.02 -0.04 2.79 2.86 1rh1A1 ASN 239 HD21 0.01 0.01 0.03 -0.04 7.03 7.04 1rh1A1 ASN 239 HD22 0.03 0.03 0.05 -0.04 7.74 7.81 1rh1A1 PRO 240 HA -0.87 0.13 0.22 -0.51 4.44 3.41 1rh1A1 PRO 240 HB2 -0.39 -0.01 0.12 -0.04 2.28 1.96 1rh1A1 PRO 240 HB3 -0.64 0.02 0.15 -0.04 2.02 1.51 1rh1A1 PRO 240 HG2 -0.13 0.04 0.05 -0.04 2.03 1.95 1rh1A1 PRO 240 HG3 -0.17 0.06 0.07 -0.04 2.03 1.96 1rh1A1 PRO 240 HD2 -0.02 0.07 0.20 -0.04 3.68 3.88 1rh1A1 PRO 240 HD3 -0.05 0.14 0.15 -0.04 3.65 3.84 1rh1A1 GLU 241 H -0.03 -0.02 -0.48 -0.55 8.60 7.52 1rh1A1 GLU 241 HA -0.07 0.13 0.58 -0.75 4.29 4.19 1rh1A1 GLU 241 HB2 0.00 -0.06 0.09 -0.04 2.09 2.08 1rh1A1 GLU 241 HB3 0.01 0.00 -0.10 -0.04 1.99 1.87 1rh1A1 GLU 241 HG2 -0.04 -0.06 -0.01 -0.04 2.34 2.20 1rh1A1 GLU 241 HG3 -0.01 -0.01 0.00 -0.04 2.34 2.28 1rh1A1 ILE 242 H 0.07 0.08 0.06 -0.55 8.25 7.91 1rh1A1 ILE 242 HA 0.11 -0.03 0.37 -0.75 4.18 3.88 1rh1A1 ILE 242 HB 0.12 0.28 0.23 -0.04 1.89 2.47 1rh1A1 ILE 242 HG12 0.38 0.01 -0.04 -0.04 1.49 1.79 1rh1A1 ILE 242 HG13 0.27 -0.05 0.03 -0.04 1.21 1.43 1rh1A1 ILE 242 HG23 0.17 -0.01 0.01 -0.04 0.93 1.05 1rh1A1 ILE 242 HD13 0.30 0.04 -0.22 -0.04 0.88 0.97 1rh1A1 GLN 243 H 0.06 0.05 0.07 -0.55 8.47 8.11 1rh1A1 GLN 243 HA 0.04 0.21 0.87 -0.75 4.36 4.73 1rh1A1 GLN 243 HB2 0.03 -0.05 0.15 -0.04 2.15 2.24 1rh1A1 GLN 243 HB3 0.03 0.05 0.05 -0.04 2.02 2.11 1rh1A1 GLN 243 HG2 0.02 0.11 -0.10 -0.04 2.40 2.40 1rh1A1 GLN 243 HG3 0.03 -0.12 -0.03 -0.04 2.39 2.23 1rh1A1 GLN 243 HE21 0.01 0.00 0.01 -0.04 6.97 6.96 1rh1A1 GLN 243 HE22 0.02 -0.04 0.02 -0.04 7.69 7.66 1rh1A1 GLU 244 H 0.05 0.25 0.16 -0.55 8.60 8.50 1rh1A1 GLU 244 HA 0.04 0.13 0.81 -0.75 4.29 4.52 1rh1A1 GLU 244 HB2 0.04 0.03 0.03 -0.04 2.09 2.16 1rh1A1 GLU 244 HB3 0.04 0.01 -0.03 -0.04 1.99 1.97 1rh1A1 GLU 244 HG2 0.07 0.19 -0.01 -0.04 2.34 2.55 1rh1A1 GLU 244 HG3 0.06 -0.06 -0.05 -0.04 2.34 2.25 1rh1A1 ASP 245 H 0.03 0.15 0.15 -0.55 8.40 8.18 1rh1A1 ASP 245 HA 0.02 0.09 0.74 -0.75 4.63 4.72 1rh1A1 ASP 245 HB2 0.02 -0.01 0.16 -0.04 2.71 2.85 1rh1A1 ASP 245 HB3 0.01 0.00 0.06 -0.04 2.70 2.74 1rh1A1 GLY 246 H 0.00 0.18 0.14 -0.55 8.43 8.20 1rh1A1 GLY 246 HA2 -0.01 -0.01 0.33 -0.51 4.01 3.81 1rh1A1 GLY 246 HA3 -0.00 0.14 0.44 -0.51 4.01 4.08 1rh1A1 VAL 247 H 0.00 0.28 -0.39 -0.55 8.24 7.58 1rh1A1 VAL 247 HA -0.03 0.20 0.70 -0.75 4.13 4.24 1rh1A1 VAL 247 HB 0.02 -0.04 -0.05 -0.04 2.12 2.01 1rh1A1 VAL 247 HG13 0.02 -0.00 -0.18 -0.04 0.97 0.76 1rh1A1 VAL 247 HG23 0.01 0.01 -0.29 -0.04 0.95 0.63 1rh1A1 ILE 248 H -0.04 0.70 0.19 -0.55 8.25 8.55 1rh1A1 ILE 248 HA -0.00 0.08 0.67 -0.75 4.18 4.17 1rh1A1 ILE 248 HB -0.04 -0.02 0.15 -0.04 1.89 1.94 1rh1A1 ILE 248 HG12 -0.04 -0.01 -0.04 -0.04 1.49 1.35 1rh1A1 ILE 248 HG13 -0.04 0.00 -0.06 -0.04 1.21 1.07 1rh1A1 ILE 248 HG23 -0.00 0.02 -0.08 -0.04 0.93 0.83 1rh1A1 ILE 248 HD13 -0.01 0.00 -0.06 -0.04 0.88 0.77 1rh1A1 SER 249 H 0.02 0.19 0.20 -0.55 8.46 8.32 1rh1A1 SER 249 HA 0.04 0.10 0.88 -0.75 4.49 4.75 1rh1A1 SER 249 HB2 0.04 -0.01 0.25 -0.04 3.95 4.18 1rh1A1 SER 249 HB3 0.05 -0.02 0.12 -0.04 3.93 4.04 1rh1A1 GLU 250 H 0.05 0.24 0.05 -0.55 8.60 8.39 1rh1A1 GLU 250 HA 0.04 0.14 0.87 -0.75 4.29 4.59 1rh1A1 GLU 250 HB2 0.08 -0.04 -0.10 -0.04 2.09 1.99 1rh1A1 GLU 250 HB3 0.05 0.07 -0.05 -0.04 1.99 2.03 1rh1A1 GLU 250 HG2 0.03 0.05 -0.18 -0.04 2.34 2.21 1rh1A1 GLU 250 HG3 0.03 -0.11 -0.57 -0.04 2.34 1.64 1rh1A1 THR 251 H 0.05 0.07 0.10 -0.55 8.28 7.95 1rh1A1 THR 251 HA 0.09 0.28 0.61 -0.75 4.39 4.62 1rh1A1 THR 251 HB 0.03 -0.04 0.05 -0.04 4.32 4.33 1rh1A1 THR 251 HG23 0.04 -0.01 -0.08 -0.04 1.22 1.13 1rh1A1 GLY 252 H 0.05 0.34 0.13 -0.55 8.43 8.40 1rh1A1 GLY 252 HA2 0.02 -0.05 0.32 -0.51 4.01 3.79 1rh1A1 GLY 252 HA3 0.00 0.08 0.44 -0.51 4.01 4.03 1rh1A1 ASN 253 H 0.02 0.07 0.06 -0.55 8.53 8.14 1rh1A1 ASN 253 HA 0.05 -0.05 0.45 -0.75 4.76 4.46 1rh1A1 ASN 253 HB2 -0.02 0.07 -0.28 -0.04 2.88 2.61 1rh1A1 ASN 253 HB3 0.02 0.09 -0.10 -0.04 2.79 2.76 1rh1A1 ASN 253 HD21 0.00 -0.00 -0.03 -0.04 7.03 6.96 1rh1A1 ASN 253 HD22 -0.01 0.03 -0.08 -0.04 7.74 7.64 1rh1A1 TYR 254 H 0.17 0.07 0.12 -0.55 8.29 8.10 1rh1A1 TYR 254 HA -0.00 0.15 0.52 -0.75 4.56 4.47 1rh1A1 TYR 254 HB2 0.00 -0.05 0.11 -0.04 3.06 3.09 1rh1A1 TYR 254 HB3 -0.00 -0.04 0.23 -0.04 2.98 3.12 1rh1A1 TYR 254 HD2 0.01 -0.07 -0.05 -0.04 7.15 7.00 1rh1A1 TYR 254 HE2 0.01 0.08 -0.11 -0.04 6.85 6.79 1rh1A1 VAL 255 H -0.12 0.64 0.54 -0.55 8.24 8.75 1rh1A1 VAL 255 HA -0.15 0.17 1.03 -0.75 4.13 4.43 1rh1A1 VAL 255 HB -0.09 -0.06 0.16 -0.04 2.12 2.09 1rh1A1 VAL 255 HG13 -0.07 0.02 -0.18 -0.04 0.97 0.70 1rh1A1 VAL 255 HG23 -0.10 0.03 -0.07 -0.04 0.95 0.77 1rh1A1 GLU 256 H -0.11 0.09 0.18 -0.55 8.60 8.22 1rh1A1 GLU 256 HA -0.17 0.16 0.86 -0.75 4.29 4.38 1rh1A1 GLU 256 HB2 -0.07 -0.04 0.09 -0.04 2.09 2.03 1rh1A1 GLU 256 HB3 -0.03 -0.08 0.10 -0.04 1.99 1.94 1rh1A1 GLU 256 HG2 -0.14 0.35 -0.17 -0.04 2.34 2.34 1rh1A1 GLU 256 HG3 -0.13 0.06 0.08 -0.04 2.34 2.31 1rh1A1 ALA 257 H -0.15 0.38 0.06 -0.55 8.40 8.15 1rh1A1 ALA 257 HA -0.08 -0.02 0.31 -0.75 4.34 3.79 1rh1A1 ALA 257 HB3 -0.11 0.01 -0.13 -0.04 1.41 1.14 1rh1A1 GLY 258 H -0.05 0.04 0.08 -0.55 8.43 7.95 1rh1A1 GLY 258 HA2 0.04 0.05 0.39 -0.51 4.01 3.98 1rh1A1 GLY 258 HA3 -0.00 -0.05 0.36 -0.51 4.01 3.80 1rh1A1 TYR 259 H 0.22 -0.01 0.19 -0.55 8.29 8.14 1rh1A1 TYR 259 HA -0.07 0.36 0.90 -0.75 4.56 5.00 1rh1A1 TYR 259 HB2 -0.04 -0.08 0.12 -0.04 3.06 3.02 1rh1A1 TYR 259 HB3 -0.04 -0.01 0.08 -0.04 2.98 2.97 1rh1A1 TYR 259 HD2 -0.12 -0.05 -0.02 -0.04 7.15 6.92 1rh1A1 TYR 259 HE2 -0.41 -0.01 -0.02 -0.04 6.85 6.37 1rh1A1 THR 260 H 0.08 -0.02 0.07 -0.55 8.28 7.86 1rh1A1 THR 260 HA 0.12 0.63 1.14 -0.75 4.39 5.53 1rh1A1 THR 260 HB 0.23 -0.03 -0.19 -0.04 4.32 4.29 1rh1A1 THR 260 HG23 0.13 -0.01 -0.31 -0.04 1.22 0.99 1rh1A1 MET 261 H 0.12 0.52 0.08 -0.55 8.47 8.65 1rh1A1 MET 261 HA 0.11 0.09 0.99 -0.75 4.52 4.95 1rh1A1 MET 261 HB2 0.11 0.14 -0.06 -0.04 2.15 2.30 1rh1A1 MET 261 HB3 0.08 0.02 0.02 -0.04 2.03 2.11 1rh1A1 MET 261 HG2 0.08 0.04 -0.22 -0.04 2.63 2.49 1rh1A1 MET 261 HG3 0.10 -0.08 -0.10 -0.04 2.56 2.44 1rh1A1 MET 261 HE3 0.05 -0.01 -0.04 -0.04 2.10 2.05 1rh1A1 SER 262 H 0.18 0.10 0.11 -0.55 8.46 8.30 1rh1A1 SER 262 HA 0.53 0.16 0.52 -0.75 4.49 4.95 1rh1A1 SER 262 HB2 0.33 0.02 0.12 -0.04 3.95 4.38 1rh1A1 SER 262 HB3 0.19 0.01 0.17 -0.04 3.93 4.27 1rh1A1 SER 263 H 0.04 0.10 0.36 -0.55 8.46 8.41 1rh1A1 SER 263 HA 0.05 0.20 0.31 -0.75 4.49 4.30 1rh1A1 SER 263 HB2 -0.03 0.08 0.15 -0.04 3.95 4.11 1rh1A1 SER 263 HB3 -0.07 -0.02 0.29 -0.04 3.93 4.09 1rh1A1 ASN 264 H 0.08 -0.12 -0.29 -0.55 8.53 7.65 1rh1A1 ASN 264 HA 0.03 0.28 0.72 -0.75 4.76 5.04 1rh1A1 ASN 264 HB2 0.07 -0.16 0.03 -0.04 2.88 2.78 1rh1A1 ASN 264 HB3 0.06 0.11 0.14 -0.04 2.79 3.05 1rh1A1 ASN 264 HD21 -0.02 0.03 -0.11 -0.04 7.03 6.88 1rh1A1 ASN 264 HD22 -0.00 0.17 -0.23 -0.04 7.74 7.64 1rh1A1 ASN 265 H 0.11 0.28 -0.25 -0.55 8.53 8.11 1rh1A1 ASN 265 HA 0.11 0.37 0.98 -0.75 4.76 5.46 1rh1A1 ASN 265 HB2 0.12 0.08 0.13 -0.04 2.88 3.18 1rh1A1 ASN 265 HB3 0.10 0.02 -0.01 -0.04 2.79 2.86 1rh1A1 ASN 265 HD21 0.09 -0.01 0.06 -0.04 7.03 7.13 1rh1A1 ASN 265 HD22 0.10 0.01 0.07 -0.04 7.74 7.88 1rh1A1 HIS 266 H 0.12 0.46 0.30 -0.55 8.41 8.75 1rh1A1 HIS 266 HA 0.02 0.09 0.75 -0.75 4.63 4.74 1rh1A1 HIS 266 HB2 0.02 -0.02 -0.31 -0.04 3.26 2.91 1rh1A1 HIS 266 HB3 -0.01 0.10 -0.10 -0.04 3.20 3.15 1rh1A1 HIS 266 HD2 0.02 0.05 0.20 -0.04 6.97 7.21 1rh1A1 HIS 266 HE1 -0.00 -0.04 0.01 -0.04 7.75 7.67 1rh1A1 ASP 267 H -0.38 0.30 0.23 -0.55 8.40 8.00 1rh1A1 ASP 267 HA -0.24 0.29 0.93 -0.75 4.63 4.86 1rh1A1 ASP 267 HB2 -0.44 0.01 0.07 -0.04 2.71 2.31 1rh1A1 ASP 267 HB3 -0.11 -0.00 0.16 -0.04 2.70 2.70 1rh1A1 VAL 268 H -0.31 0.47 0.35 -0.55 8.24 8.20 1rh1A1 VAL 268 HA -0.12 0.23 0.80 -0.75 4.13 4.29 1rh1A1 VAL 268 HB -0.05 0.04 0.02 -0.04 2.12 2.09 1rh1A1 VAL 268 HG13 -0.03 0.01 -0.21 -0.04 0.97 0.70 1rh1A1 VAL 268 HG23 -0.08 -0.02 -0.24 -0.04 0.95 0.57 1rh1A1 ILE 269 H -0.02 0.63 0.23 -0.55 8.25 8.54 1rh1A1 ILE 269 HA 0.03 0.23 1.06 -0.75 4.18 4.74 1rh1A1 ILE 269 HB 0.03 0.02 0.09 -0.04 1.89 1.98 1rh1A1 ILE 269 HG12 0.22 -0.01 -0.11 -0.04 1.49 1.54 1rh1A1 ILE 269 HG13 0.21 -0.04 -0.33 -0.04 1.21 1.01 1rh1A1 ILE 269 HG23 0.03 -0.02 -0.24 -0.04 0.93 0.67 1rh1A1 ILE 269 HD13 0.07 0.00 -0.13 -0.04 0.88 0.78 1rh1A1 VAL 270 H -0.05 0.76 0.25 -0.55 8.24 8.64 1rh1A1 VAL 270 HA -0.17 0.10 0.60 -0.75 4.13 3.91 1rh1A1 VAL 270 HB -0.14 -0.01 0.12 -0.04 2.12 2.04 1rh1A1 VAL 270 HG13 -0.60 -0.02 -0.30 -0.04 0.97 0.01 1rh1A1 VAL 270 HG23 -0.12 0.00 -0.20 -0.04 0.95 0.58 1rh1A1 ARG 271 H -0.19 0.64 0.38 -0.55 8.46 8.73 1rh1A1 ARG 271 HA -0.05 0.02 0.78 -0.75 4.34 4.35 1rh1A1 ARG 271 HB2 -0.05 0.02 0.04 -0.04 1.90 1.87 1rh1A1 ARG 271 HB3 -0.09 0.06 0.24 -0.04 1.80 1.97 1rh1A1 ARG 271 HG2 -0.04 0.10 -0.15 -0.04 1.67 1.53 1rh1A1 ARG 271 HG3 -0.01 -0.01 0.02 -0.04 1.67 1.62 1rh1A1 ARG 271 HD2 -0.03 0.03 -0.02 -0.04 3.22 3.16 1rh1A1 ARG 271 HD3 -0.03 -0.13 -0.02 -0.04 3.22 3.00 1rh1A1 PHE 272 H 0.17 0.18 0.06 -0.55 8.34 8.20 1rh1A1 PHE 272 HA -0.21 0.09 0.53 -0.75 4.62 4.27 1rh1A1 PHE 272 HB2 -0.19 0.31 0.08 -0.04 3.15 3.31 1rh1A1 PHE 272 HB3 -0.46 -0.05 0.08 -0.04 3.06 2.59 1rh1A1 PHE 272 HD2 -0.47 0.03 -0.22 -0.04 7.28 6.58 1rh1A1 PHE 272 HE2 -0.01 -0.00 -0.13 -0.04 7.38 7.20 1rh1A1 PHE 272 HZ -0.03 -0.03 -0.16 -0.04 7.32 7.06 1rh1A1 PRO 273 HA -0.01 0.15 0.45 -0.51 4.44 4.53 1rh1A1 PRO 273 HB2 0.08 -0.09 0.01 -0.04 2.28 2.24 1rh1A1 PRO 273 HB3 0.06 0.01 0.16 -0.04 2.02 2.20 1rh1A1 PRO 273 HG2 0.28 -0.03 0.00 -0.04 2.03 2.25 1rh1A1 PRO 273 HG3 0.05 0.44 0.10 -0.04 2.03 2.57 1rh1A1 PRO 273 HD2 -0.53 0.01 0.13 -0.04 3.68 3.25 1rh1A1 PRO 273 HD3 -0.27 0.09 0.12 -0.04 3.65 3.55 1rh1A1 GLU 274 H 0.01 0.17 0.16 -0.55 8.60 8.40 1rh1A1 GLU 274 HA 0.01 0.10 0.41 -0.75 4.29 4.06 1rh1A1 GLU 274 HB2 0.01 0.05 -0.00 -0.04 2.09 2.11 1rh1A1 GLU 274 HB3 0.02 0.04 0.14 -0.04 1.99 2.15 1rh1A1 GLU 274 HG2 0.04 0.03 0.02 -0.04 2.34 2.39 1rh1A1 GLU 274 HG3 0.03 -0.39 -0.01 -0.04 2.34 1.93 1rh1A1 GLY 275 H 0.03 0.09 -0.17 -0.55 8.43 7.83 1rh1A1 GLY 275 HA2 0.01 0.17 0.77 -0.51 4.01 4.44 1rh1A1 GLY 275 HA3 0.01 0.01 0.33 -0.51 4.01 3.86 1rh1A1 SER 276 H 0.00 0.80 -0.03 -0.55 8.46 8.69 1rh1A1 SER 276 HA 0.07 0.05 0.41 -0.75 4.49 4.27 1rh1A1 SER 276 HB2 -0.17 -0.02 0.01 -0.04 3.95 3.73 1rh1A1 SER 276 HB3 -0.08 -0.04 0.08 -0.04 3.93 3.84 1rh1A1 GLY 277 H -0.02 0.14 -0.20 -0.55 8.43 7.80 1rh1A1 GLY 277 HA2 -0.03 0.02 0.16 -0.51 4.01 3.65 1rh1A1 GLY 277 HA3 -0.03 0.13 0.42 -0.51 4.01 4.02 1rh1A1 VAL 278 H -0.09 0.06 -0.24 -0.55 8.24 7.42 1rh1A1 VAL 278 HA -0.20 0.12 0.70 -0.75 4.13 4.00 1rh1A1 VAL 278 HB -0.43 -0.09 -0.00 -0.04 2.12 1.56 1rh1A1 VAL 278 HG13 -1.06 0.04 -0.15 -0.04 0.97 -0.24 1rh1A1 VAL 278 HG23 -0.25 0.03 -0.29 -0.04 0.95 0.40 1rh1A1 SER 279 H -0.10 0.16 0.11 -0.55 8.46 8.09 1rh1A1 SER 279 HA 0.02 0.13 0.55 -0.75 4.49 4.43 1rh1A1 SER 279 HB2 0.01 0.02 0.07 -0.04 3.95 4.01 1rh1A1 SER 279 HB3 -0.01 -0.01 0.08 -0.04 3.93 3.95 1rh1A1 PRO 280 HA 0.20 0.21 0.67 -0.51 4.44 5.00 1rh1A1 PRO 280 HB2 0.06 0.00 -0.05 -0.04 2.28 2.25 1rh1A1 PRO 280 HB3 0.04 0.07 0.10 -0.04 2.02 2.19 1rh1A1 PRO 280 HG2 0.04 -0.10 0.17 -0.04 2.03 2.10 1rh1A1 PRO 280 HG3 0.03 0.09 0.15 -0.04 2.03 2.26 1rh1A1 PRO 280 HD2 0.04 -0.00 0.29 -0.04 3.68 3.97 1rh1A1 PRO 280 HD3 0.07 0.19 0.24 -0.04 3.65 4.11 1rh1A1 LEU 281 H 0.17 0.59 0.34 -0.55 8.37 8.93 1rh1A1 LEU 281 HA 0.12 0.11 0.95 -0.75 4.35 4.78 1rh1A1 LEU 281 HB2 0.25 0.07 0.01 -0.04 1.64 1.92 1rh1A1 LEU 281 HB3 0.18 -0.07 0.09 -0.04 1.64 1.80 1rh1A1 LEU 281 HG 0.08 0.12 -0.19 -0.04 1.64 1.61 1rh1A1 LEU 281 HD13 0.08 0.01 -0.07 -0.04 0.93 0.91 1rh1A1 LEU 281 HD23 0.10 -0.02 -0.12 -0.04 0.89 0.81 1rh1A1 TYR 282 H 0.18 0.60 0.29 -0.55 8.29 8.81 1rh1A1 TYR 282 HA -0.00 0.26 0.99 -0.75 4.56 5.04 1rh1A1 TYR 282 HB2 0.01 -0.00 -0.01 -0.04 3.06 3.01 1rh1A1 TYR 282 HB3 0.01 0.04 0.13 -0.04 2.98 3.12 1rh1A1 TYR 282 HD2 0.00 -0.05 -0.23 -0.04 7.15 6.82 1rh1A1 TYR 282 HE2 0.01 -0.01 -0.14 -0.04 6.85 6.67 1rh1A1 ILE 283 H -0.45 0.64 0.33 -0.55 8.25 8.23 1rh1A1 ILE 283 HA -0.17 0.26 0.97 -0.75 4.18 4.48 1rh1A1 ILE 283 HB -0.07 -0.01 -0.38 -0.04 1.89 1.38 1rh1A1 ILE 283 HG12 -0.14 0.01 -0.23 -0.04 1.49 1.09 1rh1A1 ILE 283 HG13 -0.09 0.08 -0.02 -0.04 1.21 1.13 1rh1A1 ILE 283 HG23 -0.14 0.01 -0.07 -0.04 0.93 0.69 1rh1A1 ILE 283 HD13 -0.10 -0.02 -0.17 -0.04 0.88 0.55 1rh1A1 SER 284 H -0.13 0.72 0.40 -0.55 8.46 8.91 1rh1A1 SER 284 HA -0.18 0.25 1.25 -0.75 4.49 5.05 1rh1A1 SER 284 HB2 -0.03 -0.03 0.06 -0.04 3.95 3.90 1rh1A1 SER 284 HB3 0.05 -0.16 0.16 -0.04 3.93 3.93 1rh1A1 ALA 285 H -0.02 0.90 0.37 -0.55 8.40 9.10 1rh1A1 ALA 285 HA 0.00 0.25 1.06 -0.75 4.34 4.89 1rh1A1 ALA 285 HB3 -0.01 0.01 -0.05 -0.04 1.41 1.32 1rh1A1 VAL 286 H 0.05 0.69 0.27 -0.55 8.24 8.71 1rh1A1 VAL 286 HA 0.08 0.10 0.80 -0.75 4.13 4.35 1rh1A1 VAL 286 HB 0.05 0.05 0.03 -0.04 2.12 2.21 1rh1A1 VAL 286 HG13 0.04 -0.04 -0.26 -0.04 0.97 0.67 1rh1A1 VAL 286 HG23 0.06 -0.00 -0.20 -0.04 0.95 0.77 1rh1A1 GLU 287 H 0.09 0.14 0.09 -0.55 8.60 8.37 1rh1A1 GLU 287 HA 0.08 0.16 0.78 -0.75 4.29 4.55 1rh1A1 GLU 287 HB2 0.10 0.20 -0.04 -0.04 2.09 2.31 1rh1A1 GLU 287 HB3 0.11 -0.11 0.09 -0.04 1.99 2.05 1rh1A1 GLU 287 HG2 0.10 -0.03 -0.37 -0.04 2.34 2.00 1rh1A1 GLU 287 HG3 0.08 0.11 -0.03 -0.04 2.34 2.46 1rh1A1 ILE 288 H 0.06 0.19 0.05 -0.55 8.25 8.00 1rh1A1 ILE 288 HA 0.02 0.07 0.37 -0.75 4.18 3.89 1rh1A1 ILE 288 HB 0.02 -0.11 0.04 -0.04 1.89 1.81 1rh1A1 ILE 288 HG12 0.03 0.05 -0.02 -0.04 1.49 1.51 1rh1A1 ILE 288 HG13 0.04 0.02 0.02 -0.04 1.21 1.25 1rh1A1 ILE 288 HG23 -0.00 0.04 -0.03 -0.04 0.93 0.90 1rh1A1 ILE 288 HD13 0.05 -0.04 0.00 -0.04 0.88 0.86 1rh1A1 LEU 289 H 0.01 0.18 0.21 -0.55 8.37 8.23 1rh1A1 LEU 289 HA 0.08 0.02 0.64 -0.75 4.35 4.33 1rh1A1 LEU 289 HB2 -0.01 0.04 0.15 -0.04 1.64 1.78 1rh1A1 LEU 289 HB3 -0.01 -0.01 -0.08 -0.04 1.64 1.50 1rh1A1 LEU 289 HG 0.19 -0.10 0.01 -0.04 1.64 1.70 1rh1A1 LEU 289 HD13 0.22 0.02 -0.02 -0.04 0.93 1.11 1rh1A1 LEU 289 HD23 -0.32 0.01 -0.10 -0.04 0.89 0.45 1rh1A1 ASP 290 H 0.06 0.08 0.20 -0.55 8.40 8.19 1rh1A1 ASP 290 HA 0.01 0.22 0.75 -0.75 4.63 4.87 1rh1A1 ASP 290 HB2 0.03 0.08 0.04 -0.04 2.71 2.81 1rh1A1 ASP 290 HB3 0.03 -0.04 -0.01 -0.04 2.70 2.63 1rh1A1 SER 291 H 0.01 0.34 0.15 -0.55 8.46 8.41 1rh1A1 SER 291 HA -0.00 0.09 0.32 -0.75 4.49 4.14 1rh1A1 SER 291 HB2 0.01 0.03 0.16 -0.04 3.95 4.10 1rh1A1 SER 291 HB3 0.01 0.05 -0.06 -0.04 3.93 3.88 1rh1A1 ASN 292 H 0.03 0.08 -0.15 -0.55 8.53 7.95 1rh1A1 ASN 292 HA 0.02 0.22 0.97 -0.75 4.76 5.22 1rh1A1 ASN 292 HB2 0.04 -0.01 0.08 -0.04 2.88 2.94 1rh1A1 ASN 292 HB3 0.04 0.06 0.08 -0.04 2.79 2.93 1rh1A1 ASN 292 HD21 0.02 0.04 -0.02 -0.04 7.03 7.03 1rh1A1 ASN 292 HD22 0.02 0.00 -0.01 -0.04 7.74 7.72 1rh1A1 SER 293 H 0.06 0.22 -0.01 -0.55 8.46 8.18 1rh1A1 SER 293 HA 0.21 0.14 0.61 -0.75 4.49 4.69 1rh1A1 SER 293 HB2 0.15 -0.04 0.16 -0.04 3.95 4.18 1rh1A1 SER 293 HB3 0.11 0.04 0.17 -0.04 3.93 4.21 1rh1A1 LEU 294 H -0.01 0.42 -0.14 -0.55 8.37 8.09 1rh1A1 LEU 294 HA -0.17 0.01 0.38 -0.75 4.35 3.82 1rh1A1 LEU 294 HB2 -0.04 0.05 0.08 -0.04 1.64 1.69 1rh1A1 LEU 294 HB3 -0.06 0.43 0.08 -0.04 1.64 2.05 1rh1A1 LEU 294 HG -0.03 0.02 -0.25 -0.04 1.64 1.33 1rh1A1 LEU 294 HD13 -0.03 0.02 -0.04 -0.04 0.93 0.84 1rh1A1 LEU 294 HD23 -0.08 0.01 -0.03 -0.04 0.89 0.75 1rh1A1 SER 295 H -0.03 0.29 -0.15 -0.55 8.46 8.03 1rh1A1 SER 295 HA -0.04 0.02 0.45 -0.75 4.49 4.17 1rh1A1 SER 295 HB2 0.01 0.10 0.09 -0.04 3.95 4.10 1rh1A1 SER 295 HB3 -0.00 0.01 0.05 -0.04 3.93 3.94 1rh1A1 GLN 296 H 0.02 0.32 -0.38 -0.55 8.47 7.87 1rh1A1 GLN 296 HA 0.08 0.04 0.41 -0.75 4.36 4.14 1rh1A1 GLN 296 HB2 0.22 0.12 0.24 -0.04 2.15 2.69 1rh1A1 GLN 296 HB3 0.49 -0.00 -0.08 -0.04 2.02 2.39 1rh1A1 GLN 296 HG2 0.16 -0.02 0.07 -0.04 2.40 2.57 1rh1A1 GLN 296 HG3 0.16 0.13 0.10 -0.04 2.39 2.74 1rh1A1 GLN 296 HE21 0.13 0.08 -0.02 -0.04 6.97 7.12 1rh1A1 GLN 296 HE22 0.34 -0.02 -0.01 -0.04 7.69 7.96 1rh1A1 ARG 297 H -0.33 0.55 -0.11 -0.55 8.46 8.02 1rh1A1 ARG 297 HA -0.91 0.06 0.49 -0.75 4.34 3.22 1rh1A1 ARG 297 HB2 -1.61 0.02 0.09 -0.04 1.90 0.36 1rh1A1 ARG 297 HB3 -0.55 0.08 0.10 -0.04 1.80 1.39 1rh1A1 ARG 297 HG2 -0.41 -0.05 -0.09 -0.04 1.67 1.08 1rh1A1 ARG 297 HG3 -0.94 0.00 0.03 -0.04 1.67 0.73 1rh1A1 ARG 297 HD2 -0.79 -0.03 -0.03 -0.04 3.22 2.33 1rh1A1 ARG 297 HD3 -0.36 -0.03 -0.05 -0.04 3.22 2.74 1rh1A1 GLN 298 H -0.16 0.59 -0.07 -0.55 8.47 8.28 1rh1A1 GLN 298 HA -0.11 0.02 0.50 -0.75 4.36 4.02 1rh1A1 GLN 298 HB2 -0.08 0.05 0.10 -0.04 2.15 2.18 1rh1A1 GLN 298 HB3 -0.05 0.11 0.08 -0.04 2.02 2.12 1rh1A1 GLN 298 HG2 -0.03 0.00 -0.04 -0.04 2.40 2.29 1rh1A1 GLN 298 HG3 -0.04 0.04 -0.01 -0.04 2.39 2.34 1rh1A1 GLN 298 HE21 -0.03 0.12 0.06 -0.04 6.97 7.08 1rh1A1 GLN 298 HE22 -0.05 -0.08 0.22 -0.04 7.69 7.75 1rh1A1 GLU 299 H -0.05 0.49 -0.21 -0.55 8.60 8.29 1rh1A1 GLU 299 HA -0.02 0.05 0.63 -0.75 4.29 4.19 1rh1A1 GLU 299 HB2 0.02 0.14 0.13 -0.04 2.09 2.33 1rh1A1 GLU 299 HB3 0.01 -0.03 0.07 -0.04 1.99 2.00 1rh1A1 GLU 299 HG2 -0.00 0.26 0.09 -0.04 2.34 2.65 1rh1A1 GLU 299 HG3 0.01 -0.02 0.03 -0.04 2.34 2.32 1rh1A1 ALA 300 H -0.04 0.36 -0.14 -0.55 8.40 8.03 1rh1A1 ALA 300 HA 0.06 0.05 0.41 -0.75 4.34 4.11 1rh1A1 ALA 300 HB3 0.08 0.06 0.12 -0.04 1.41 1.63 1rh1A1 GLU 301 H -0.08 0.40 -0.35 -0.55 8.60 8.02 1rh1A1 GLU 301 HA -0.01 0.02 0.44 -0.75 4.29 3.98 1rh1A1 GLU 301 HB2 -0.07 0.12 0.26 -0.04 2.09 2.36 1rh1A1 GLU 301 HB3 -0.03 0.01 -0.00 -0.04 1.99 1.92 1rh1A1 GLU 301 HG2 -0.10 0.14 0.09 -0.04 2.34 2.43 1rh1A1 GLU 301 HG3 -0.06 -0.06 0.06 -0.04 2.34 2.24 1rh1A1 ASN 302 H -0.05 0.62 0.04 -0.55 8.53 8.59 1rh1A1 ASN 302 HA -0.08 0.01 0.41 -0.75 4.76 4.35 1rh1A1 ASN 302 HB2 -0.03 0.04 0.27 -0.04 2.88 3.12 1rh1A1 ASN 302 HB3 -0.04 -0.03 0.06 -0.04 2.79 2.74 1rh1A1 ASN 302 HD21 -0.02 -0.06 -0.01 -0.04 7.03 6.90 1rh1A1 ASN 302 HD22 -0.02 -0.02 0.01 -0.04 7.74 7.67 1rh1A1 ASN 303 H -0.03 0.72 -0.22 -0.55 8.53 8.45 1rh1A1 ASN 303 HA -0.03 0.00 0.49 -0.75 4.76 4.46 1rh1A1 ASN 303 HB2 0.01 0.12 0.13 -0.04 2.88 3.10 1rh1A1 ASN 303 HB3 0.00 -0.04 -0.02 -0.04 2.79 2.69 1rh1A1 ASN 303 HD21 -0.00 -0.04 -0.01 -0.04 7.03 6.94 1rh1A1 ASN 303 HD22 -0.01 -0.07 -0.10 -0.04 7.74 7.52 1rh1A1 ALA 304 H -0.05 0.51 -0.10 -0.55 8.40 8.21 1rh1A1 ALA 304 HA -0.00 -0.00 0.47 -0.75 4.34 4.05 1rh1A1 ALA 304 HB3 0.02 0.03 0.13 -0.04 1.41 1.55 1rh1A1 LYS 305 H -0.34 0.55 -0.18 -0.55 8.42 7.89 1rh1A1 LYS 305 HA -1.07 0.09 0.55 -0.75 4.32 3.14 1rh1A1 LYS 305 HB2 -0.68 0.03 0.09 -0.04 1.87 1.27 1rh1A1 LYS 305 HB3 -0.26 0.11 0.20 -0.04 1.79 1.80 1rh1A1 LYS 305 HG2 -0.11 -0.03 -0.10 -0.04 1.46 1.17 1rh1A1 LYS 305 HG3 -0.19 -0.02 -0.01 -0.04 1.46 1.19 1rh1A1 LYS 305 HD2 -0.05 0.05 -0.01 -0.04 1.69 1.64 1rh1A1 LYS 305 HD3 -0.08 -0.05 -0.01 -0.04 1.68 1.49 1rh1A1 LYS 305 HE2 0.01 -0.04 -0.02 -0.04 2.99 2.90 1rh1A1 LYS 305 HE3 0.09 0.02 -0.03 -0.04 2.99 3.04 1rh1A1 ASP 306 H -0.11 0.51 0.06 -0.55 8.40 8.31 1rh1A1 ASP 306 HA -0.02 0.03 0.42 -0.75 4.63 4.30 1rh1A1 ASP 306 HB2 -0.03 0.09 0.16 -0.04 2.71 2.89 1rh1A1 ASP 306 HB3 -0.02 -0.05 0.08 -0.04 2.70 2.67 1rh1A1 ASP 307 H -0.02 0.44 -0.25 -0.55 8.40 8.03 1rh1A1 ASP 307 HA 0.01 0.03 0.55 -0.75 4.63 4.46 1rh1A1 ASP 307 HB2 0.04 0.13 0.13 -0.04 2.71 2.97 1rh1A1 ASP 307 HB3 0.04 -0.04 0.08 -0.04 2.70 2.73 1rh1A1 PHE 308 H 0.14 0.39 -0.22 -0.55 8.34 8.10 1rh1A1 PHE 308 HA 0.04 0.02 0.52 -0.75 4.62 4.44 1rh1A1 PHE 308 HB2 0.12 0.10 0.21 -0.04 3.15 3.54 1rh1A1 PHE 308 HB3 0.02 0.18 0.28 -0.04 3.06 3.50 1rh1A1 PHE 308 HD2 0.13 -0.01 -0.00 -0.04 7.28 7.36 1rh1A1 PHE 308 HE2 0.08 -0.01 -0.03 -0.04 7.38 7.37 1rh1A1 PHE 308 HZ 0.04 0.12 -0.07 -0.04 7.32 7.38 1rh1A1 ARG 309 H 0.11 0.56 -0.06 -0.55 8.46 8.51 1rh1A1 ARG 309 HA -0.13 0.03 0.47 -0.75 4.34 3.96 1rh1A1 ARG 309 HB2 0.06 0.06 0.11 -0.04 1.90 2.09 1rh1A1 ARG 309 HB3 0.01 0.10 0.21 -0.04 1.80 2.07 1rh1A1 ARG 309 HG2 0.00 -0.03 0.01 -0.04 1.67 1.61 1rh1A1 ARG 309 HG3 -0.02 -0.01 -0.14 -0.04 1.67 1.46 1rh1A1 ARG 309 HD2 -0.01 -0.03 0.02 -0.04 3.22 3.15 1rh1A1 ARG 309 HD3 -0.04 -0.06 0.11 -0.04 3.22 3.19 1rh1A1 VAL 310 H -0.03 0.40 -0.30 -0.55 8.24 7.77 1rh1A1 VAL 310 HA -0.04 0.01 0.56 -0.75 4.13 3.90 1rh1A1 VAL 310 HB -0.01 0.11 0.27 -0.04 2.12 2.45 1rh1A1 VAL 310 HG13 -0.01 -0.02 -0.02 -0.04 0.97 0.87 1rh1A1 VAL 310 HG23 -0.02 0.00 0.06 -0.04 0.95 0.96 1rh1A1 LYS 311 H -0.06 0.58 -0.04 -0.55 8.42 8.35 1rh1A1 LYS 311 HA -0.04 -0.04 0.35 -0.75 4.32 3.83 1rh1A1 LYS 311 HB2 -0.01 0.03 0.19 -0.04 1.87 2.04 1rh1A1 LYS 311 HB3 -0.08 0.14 0.24 -0.04 1.79 2.05 1rh1A1 LYS 311 HG2 -0.04 -0.01 -0.09 -0.04 1.46 1.28 1rh1A1 LYS 311 HG3 -0.01 -0.07 0.08 -0.04 1.46 1.41 1rh1A1 LYS 311 HD2 0.02 -0.03 0.02 -0.04 1.69 1.66 1rh1A1 LYS 311 HD3 0.03 -0.02 0.04 -0.04 1.68 1.69 1rh1A1 LYS 311 HE2 0.07 0.06 0.08 -0.04 2.99 3.17 1rh1A1 LYS 311 HE3 0.07 0.00 0.01 -0.04 2.99 3.04 1rh1A1 LYS 312 H -0.26 0.52 -0.30 -0.55 8.42 7.82 1rh1A1 LYS 312 HA -0.19 0.01 0.30 -0.75 4.32 3.69 1rh1A1 LYS 312 HB2 -0.58 0.30 0.20 -0.04 1.87 1.76 1rh1A1 LYS 312 HB3 -0.22 -0.01 0.12 -0.04 1.79 1.64 1rh1A1 LYS 312 HG2 -0.19 -0.07 0.06 -0.04 1.46 1.22 1rh1A1 LYS 312 HG3 -0.51 0.07 0.02 -0.04 1.46 1.00 1rh1A1 LYS 312 HD2 -0.09 -0.08 -0.07 -0.04 1.69 1.40 1rh1A1 LYS 312 HD3 -0.07 0.04 -0.00 -0.04 1.68 1.61 1rh1A1 LYS 312 HE2 -0.12 0.04 0.01 -0.04 2.99 2.88 1rh1A1 LYS 312 HE3 -0.14 0.02 0.04 -0.04 2.99 2.87 1rh1A1 GLU 313 H -0.10 0.48 -0.01 -0.55 8.60 8.42 1rh1A1 GLU 313 HA -0.05 -0.01 0.46 -0.75 4.29 3.94 1rh1A1 GLU 313 HB2 -0.05 0.09 0.18 -0.04 2.09 2.27 1rh1A1 GLU 313 HB3 -0.04 -0.07 0.11 -0.04 1.99 1.94 1rh1A1 GLU 313 HG2 -0.04 -0.05 0.09 -0.04 2.34 2.29 1rh1A1 GLU 313 HG3 -0.07 0.10 0.19 -0.04 2.34 2.52 1rh1A1 GLN 314 H -0.05 0.57 -0.12 -0.55 8.47 8.33 1rh1A1 GLN 314 HA -0.01 -0.02 0.43 -0.75 4.36 4.01 1rh1A1 GLN 314 HB2 -0.02 0.00 0.14 -0.04 2.15 2.24 1rh1A1 GLN 314 HB3 -0.03 0.22 0.23 -0.04 2.02 2.40 1rh1A1 GLN 314 HG2 0.00 -0.05 -0.19 -0.04 2.40 2.12 1rh1A1 GLN 314 HG3 0.01 -0.06 0.06 -0.04 2.39 2.36 1rh1A1 GLN 314 HE21 -0.00 -0.01 0.02 -0.04 6.97 6.94 1rh1A1 GLN 314 HE22 -0.00 -0.01 0.01 -0.04 7.69 7.65 1rh1A1 GLU 315 H -0.04 0.63 -0.09 -0.55 8.60 8.55 1rh1A1 GLU 315 HA 0.00 -0.03 0.37 -0.75 4.29 3.88 1rh1A1 GLU 315 HB2 -0.03 0.13 0.13 -0.04 2.09 2.28 1rh1A1 GLU 315 HB3 -0.01 -0.06 0.08 -0.04 1.99 1.96 1rh1A1 GLU 315 HG2 -0.00 -0.10 0.04 -0.04 2.34 2.24 1rh1A1 GLU 315 HG3 -0.02 0.18 0.16 -0.04 2.34 2.61 1rh1A1 ASN 316 H -0.03 0.53 -0.07 -0.55 8.53 8.41 1rh1A1 ASN 316 HA -0.01 0.05 0.53 -0.75 4.76 4.57 1rh1A1 ASN 316 HB2 -0.03 0.12 0.17 -0.04 2.88 3.10 1rh1A1 ASN 316 HB3 -0.03 -0.02 0.27 -0.04 2.79 2.97 1rh1A1 ASN 316 HD21 -0.02 -0.02 -0.02 -0.04 7.03 6.93 1rh1A1 ASN 316 HD22 -0.02 0.01 0.02 -0.04 7.74 7.71 1rh1A1 ASP 317 H -0.02 0.70 0.15 -0.55 8.40 8.68 1rh1A1 ASP 317 HA -0.02 -0.05 0.34 -0.75 4.63 4.14 1rh1A1 ASP 317 HB2 -0.01 0.19 0.20 -0.04 2.71 3.05 1rh1A1 ASP 317 HB3 -0.02 -0.06 0.13 -0.04 2.70 2.71 1rh1A1 GLU 318 H 0.01 0.43 -0.45 -0.55 8.60 8.04 1rh1A1 GLU 318 HA 0.05 -0.06 0.44 -0.75 4.29 3.97 1rh1A1 GLU 318 HB2 0.03 0.22 0.20 -0.04 2.09 2.51 1rh1A1 GLU 318 HB3 0.03 0.14 0.20 -0.04 1.99 2.32 1rh1A1 GLU 318 HG2 0.07 0.01 -0.04 -0.04 2.34 2.34 1rh1A1 GLU 318 HG3 0.08 -0.12 0.05 -0.04 2.34 2.31 1rh1A1 LYS 319 H 0.01 0.67 0.03 -0.55 8.42 8.57 1rh1A1 LYS 319 HA 0.03 -0.02 0.44 -0.75 4.32 4.01 1rh1A1 LYS 319 HB2 0.01 0.07 0.26 -0.04 1.87 2.17 1rh1A1 LYS 319 HB3 0.00 0.22 0.33 -0.04 1.79 2.30 1rh1A1 LYS 319 HG2 0.00 -0.01 0.04 -0.04 1.46 1.46 1rh1A1 LYS 319 HG3 0.00 -0.08 -0.09 -0.04 1.46 1.25 1rh1A1 LYS 319 HD2 0.02 -0.04 0.10 -0.04 1.69 1.73 1rh1A1 LYS 319 HD3 0.02 0.01 0.10 -0.04 1.68 1.77 1rh1A1 LYS 319 HE2 0.01 0.01 0.03 -0.04 2.99 3.01 1rh1A1 LYS 319 HE3 0.01 -0.03 0.03 -0.04 2.99 2.96 1rh1A1 THR 320 H -0.01 0.46 -0.21 -0.55 8.28 7.97 1rh1A1 THR 320 HA -0.02 0.07 0.45 -0.75 4.39 4.13 1rh1A1 THR 320 HB -0.04 -0.07 0.00 -0.04 4.32 4.17 1rh1A1 THR 320 HG23 -0.02 0.07 -0.10 -0.04 1.22 1.13 1rh1A1 VAL 321 H -0.02 0.54 -0.05 -0.55 8.24 8.17 1rh1A1 VAL 321 HA -0.12 0.01 0.54 -0.75 4.13 3.81 1rh1A1 VAL 321 HB -0.02 -0.07 0.06 -0.04 2.12 2.05 1rh1A1 VAL 321 HG13 -0.11 0.06 0.10 -0.04 0.97 0.99 1rh1A1 VAL 321 HG23 0.10 0.05 0.06 -0.04 0.95 1.13 1rh1A1 LEU 322 H 0.03 0.52 -0.14 -0.55 8.37 8.23 1rh1A1 LEU 322 HA 0.04 0.00 0.48 -0.75 4.35 4.12 1rh1A1 LEU 322 HB2 0.05 0.12 0.13 -0.04 1.64 1.90 1rh1A1 LEU 322 HB3 0.06 0.04 -0.05 -0.04 1.64 1.65 1rh1A1 LEU 322 HG 0.09 0.01 -0.03 -0.04 1.64 1.67 1rh1A1 LEU 322 HD13 0.10 -0.02 -0.14 -0.04 0.93 0.83 1rh1A1 LEU 322 HD23 0.13 0.07 -0.01 -0.04 0.89 1.03 1rh1A1 THR 323 H 0.00 0.49 -0.15 -0.55 8.28 8.07 1rh1A1 THR 323 HA 0.01 0.05 0.35 -0.75 4.39 4.05 1rh1A1 THR 323 HB -0.01 -0.06 0.04 -0.04 4.32 4.26 1rh1A1 THR 323 HG23 0.00 0.12 0.10 -0.04 1.22 1.41 1rh1A1 LYS 324 H -0.03 0.56 -0.07 -0.55 8.42 8.32 1rh1A1 LYS 324 HA -0.03 0.02 0.48 -0.75 4.32 4.03 1rh1A1 LYS 324 HB2 -0.07 0.05 0.12 -0.04 1.87 1.93 1rh1A1 LYS 324 HB3 -0.09 0.05 0.09 -0.04 1.79 1.81 1rh1A1 LYS 324 HG2 -0.11 -0.05 -0.05 -0.04 1.46 1.22 1rh1A1 LYS 324 HG3 -0.06 -0.03 -0.11 -0.04 1.46 1.22 1rh1A1 LYS 324 HD2 -0.04 -0.06 0.08 -0.04 1.69 1.63 1rh1A1 LYS 324 HD3 -0.05 0.04 0.02 -0.04 1.68 1.65 1rh1A1 LYS 324 HE2 -0.04 0.04 0.02 -0.04 2.99 2.97 1rh1A1 LYS 324 HE3 -0.06 -0.04 0.00 -0.04 2.99 2.85 1rh1A1 THR 325 H -0.01 0.55 -0.35 -0.55 8.28 7.92 1rh1A1 THR 325 HA 0.01 -0.05 0.27 -0.75 4.39 3.86 1rh1A1 THR 325 HB 0.02 0.14 0.17 -0.04 4.32 4.62 1rh1A1 THR 325 HG23 0.03 -0.03 -0.11 -0.04 1.22 1.07 1rh1A1 SER 326 H 0.00 0.64 -0.10 -0.55 8.46 8.45 1rh1A1 SER 326 HA -0.01 -0.05 0.37 -0.75 4.49 4.04 1rh1A1 SER 326 HB2 0.01 0.11 0.18 -0.04 3.95 4.20 1rh1A1 SER 326 HB3 -0.00 0.17 0.20 -0.04 3.93 4.26 1rh1A1 GLU 327 H -0.01 0.52 -0.22 -0.55 8.60 8.35 1rh1A1 GLU 327 HA -0.01 -0.02 0.36 -0.75 4.29 3.86 1rh1A1 GLU 327 HB2 -0.01 0.07 0.13 -0.04 2.09 2.24 1rh1A1 GLU 327 HB3 -0.02 0.18 0.21 -0.04 1.99 2.33 1rh1A1 GLU 327 HG2 -0.02 -0.04 -0.07 -0.04 2.34 2.17 1rh1A1 GLU 327 HG3 -0.01 -0.04 0.03 -0.04 2.34 2.28 1rh1A1 VAL 328 H -0.01 0.60 -0.08 -0.55 8.24 8.20 1rh1A1 VAL 328 HA -0.02 -0.01 0.43 -0.75 4.13 3.77 1rh1A1 VAL 328 HB -0.01 0.14 0.14 -0.04 2.12 2.35 1rh1A1 VAL 328 HG13 -0.01 -0.02 -0.11 -0.04 0.97 0.78 1rh1A1 VAL 328 HG23 -0.02 0.05 0.02 -0.04 0.95 0.96 1rh1A1 ILE 329 H -0.02 0.81 -0.04 -0.55 8.25 8.46 1rh1A1 ILE 329 HA -0.02 -0.03 0.47 -0.75 4.18 3.84 1rh1A1 ILE 329 HB -0.04 0.16 0.09 -0.04 1.89 2.07 1rh1A1 ILE 329 HG12 -0.01 0.29 -0.04 -0.04 1.49 1.68 1rh1A1 ILE 329 HG13 -0.03 -0.04 -0.12 -0.04 1.21 0.98 1rh1A1 ILE 329 HG23 -0.09 -0.03 -0.06 -0.04 0.93 0.72 1rh1A1 ILE 329 HD13 -0.02 -0.04 -0.06 -0.04 0.88 0.72 1rh1A1 ILE 330 H -0.02 0.47 -0.32 -0.55 8.25 7.82 1rh1A1 ILE 330 HA -0.03 0.02 0.61 -0.75 4.18 4.02 1rh1A1 ILE 330 HB -0.02 0.16 0.15 -0.04 1.89 2.14 1rh1A1 ILE 330 HG12 -0.04 -0.08 -0.11 -0.04 1.49 1.22 1rh1A1 ILE 330 HG13 -0.04 0.04 -0.11 -0.04 1.21 1.06 1rh1A1 ILE 330 HG23 -0.01 -0.03 -0.14 -0.04 0.93 0.72 1rh1A1 ILE 330 HD13 -0.02 -0.01 -0.09 -0.04 0.88 0.73 1rh1A1 SER 331 H -0.01 0.56 0.02 -0.55 8.46 8.48 1rh1A1 SER 331 HA 0.00 0.01 0.51 -0.75 4.49 4.26 1rh1A1 SER 331 HB2 -0.01 -0.03 0.11 -0.04 3.95 3.98 1rh1A1 SER 331 HB3 -0.01 0.17 0.20 -0.04 3.93 4.25 1rh1A1 VAL 332 H 0.00 0.64 -0.11 -0.55 8.24 8.23 1rh1A1 VAL 332 HA 0.03 -0.02 0.31 -0.75 4.13 3.69 1rh1A1 VAL 332 HB 0.01 0.14 0.15 -0.04 2.12 2.38 1rh1A1 VAL 332 HG13 0.09 -0.02 -0.11 -0.04 0.97 0.90 1rh1A1 VAL 332 HG23 -0.01 0.01 0.06 -0.04 0.95 0.96 1rh1A1 GLY 333 H 0.03 0.35 -0.47 -0.55 8.43 7.80 1rh1A1 GLY 333 HA2 0.22 -0.04 0.29 -0.51 4.01 3.97 1rh1A1 GLY 333 HA3 0.00 0.08 0.31 -0.51 4.01 3.90 1rh1A1 ASP 334 H 0.04 0.58 -0.10 -0.55 8.40 8.37 1rh1A1 ASP 334 HA 0.05 -0.06 0.42 -0.75 4.63 4.28 1rh1A1 ASP 334 HB2 0.02 0.15 0.30 -0.04 2.71 3.13 1rh1A1 ASP 334 HB3 0.02 -0.06 0.06 -0.04 2.70 2.68 1rh1A1 LYS 335 H 0.03 0.65 0.04 -0.55 8.42 8.59 1rh1A1 LYS 335 HA 0.03 -0.02 0.28 -0.75 4.32 3.85 1rh1A1 LYS 335 HB2 0.01 -0.01 0.05 -0.04 1.87 1.88 1rh1A1 LYS 335 HB3 0.02 0.02 0.09 -0.04 1.79 1.87 1rh1A1 LYS 335 HG2 0.00 -0.01 -0.29 -0.04 1.46 1.12 1rh1A1 LYS 335 HG3 -0.00 -0.04 -0.10 -0.04 1.46 1.28 1rh1A1 LYS 335 HD2 -0.01 0.01 -0.02 -0.04 1.69 1.62 1rh1A1 LYS 335 HD3 -0.02 -0.04 -0.12 -0.04 1.68 1.46 1rh1A1 LYS 335 HE2 -0.01 -0.06 -0.05 -0.04 2.99 2.83 1rh1A1 LYS 335 HE3 -0.02 0.08 -0.03 -0.04 2.99 2.98 1rh1A1 VAL 336 H 0.06 0.69 0.01 -0.55 8.24 8.46 1rh1A1 VAL 336 HA -0.01 -0.01 0.41 -0.75 4.13 3.76 1rh1A1 VAL 336 HB 0.01 0.14 0.08 -0.04 2.12 2.31 1rh1A1 VAL 336 HG13 -0.62 -0.05 -0.04 -0.04 0.97 0.23 1rh1A1 VAL 336 HG23 -0.01 -0.01 0.03 -0.04 0.95 0.91 1rh1A1 GLY 337 H 0.14 0.52 -0.39 -0.55 8.43 8.16 1rh1A1 GLY 337 HA2 0.16 -0.05 0.36 -0.51 4.01 3.97 1rh1A1 GLY 337 HA3 0.13 0.16 0.42 -0.51 4.01 4.22 1rh1A1 GLU 338 H 0.06 0.53 0.01 -0.55 8.60 8.65 1rh1A1 GLU 338 HA 0.04 -0.03 0.35 -0.75 4.29 3.90 1rh1A1 GLU 338 HB2 0.04 0.10 0.13 -0.04 2.09 2.32 1rh1A1 GLU 338 HB3 0.04 -0.04 0.21 -0.04 1.99 2.16 1rh1A1 GLU 338 HG2 0.03 -0.01 0.03 -0.04 2.34 2.35 1rh1A1 GLU 338 HG3 0.03 0.00 0.03 -0.04 2.34 2.36 1rh1A1 TYR 339 H 0.06 0.29 -0.73 -0.55 8.29 7.36 1rh1A1 TYR 339 HA -0.01 0.05 0.70 -0.75 4.56 4.54 1rh1A1 TYR 339 HB2 -0.02 -0.00 -0.06 -0.04 3.06 2.93 1rh1A1 TYR 339 HB3 -0.06 0.15 0.08 -0.04 2.98 3.11 1rh1A1 TYR 339 HD2 -0.03 0.02 0.04 -0.04 7.15 7.13 1rh1A1 TYR 339 HE2 -0.00 -0.04 0.01 -0.04 6.85 6.78 1rh1A1 LEU 340 H -0.08 0.62 0.33 -0.55 8.37 8.69 1rh1A1 LEU 340 HA -0.36 0.16 0.87 -0.75 4.35 4.26 1rh1A1 LEU 340 HB2 -0.33 0.06 0.03 -0.04 1.64 1.36 1rh1A1 LEU 340 HB3 -0.16 -0.07 0.07 -0.04 1.64 1.44 1rh1A1 LEU 340 HG -0.12 -0.00 0.04 -0.04 1.64 1.51 1rh1A1 LEU 340 HD13 -0.40 0.00 -0.02 -0.04 0.93 0.47 1rh1A1 LEU 340 HD23 -0.16 0.01 0.04 -0.04 0.89 0.74 1rh1A1 GLY 341 H -0.03 0.59 0.18 -0.55 8.43 8.62 1rh1A1 GLY 341 HA2 -0.01 0.04 0.34 -0.51 4.01 3.88 1rh1A1 GLY 341 HA3 0.00 0.19 0.95 -0.51 4.01 4.63 1rh1A1 ASP 342 H 0.02 0.21 0.19 -0.55 8.40 8.28 1rh1A1 ASP 342 HA 0.05 0.11 0.59 -0.75 4.63 4.62 1rh1A1 ASP 342 HB2 0.02 0.03 0.10 -0.04 2.71 2.82 1rh1A1 ASP 342 HB3 0.02 0.04 0.08 -0.04 2.70 2.79 1rh1A1 LYS 343 H 0.04 0.14 -0.05 -0.55 8.42 7.99 1rh1A1 LYS 343 HA 0.01 0.10 0.52 -0.75 4.32 4.20 1rh1A1 LYS 343 HB2 0.03 -0.02 0.11 -0.04 1.87 1.94 1rh1A1 LYS 343 HB3 0.04 0.12 -0.09 -0.04 1.79 1.82 1rh1A1 LYS 343 HG2 0.02 0.01 -0.02 -0.04 1.46 1.43 1rh1A1 LYS 343 HG3 0.02 -0.02 0.04 -0.04 1.46 1.45 1rh1A1 LYS 343 HD2 0.02 -0.01 0.00 -0.04 1.69 1.66 1rh1A1 LYS 343 HD3 0.02 -0.03 0.02 -0.04 1.68 1.64 1rh1A1 LYS 343 HE2 0.03 -0.04 -0.00 -0.04 2.99 2.93 1rh1A1 LYS 343 HE3 0.02 -0.02 0.04 -0.04 2.99 2.99 1rh1A1 TYR 344 H 0.14 0.14 -0.46 -0.55 8.29 7.55 1rh1A1 TYR 344 HA -0.02 0.06 0.44 -0.75 4.56 4.29 1rh1A1 TYR 344 HB2 -0.02 0.05 -0.09 -0.04 3.06 2.96 1rh1A1 TYR 344 HB3 -0.01 0.31 0.02 -0.04 2.98 3.26 1rh1A1 TYR 344 HD2 -0.01 0.05 -0.13 -0.04 7.15 7.02 1rh1A1 TYR 344 HE2 -0.02 0.05 -0.14 -0.04 6.85 6.70 1rh1A1 LYS 345 H 0.12 0.31 -0.01 -0.55 8.42 8.28 1rh1A1 LYS 345 HA -0.03 0.05 0.33 -0.75 4.32 3.91 1rh1A1 LYS 345 HB2 0.02 0.10 0.14 -0.04 1.87 2.08 1rh1A1 LYS 345 HB3 0.00 -0.01 -0.07 -0.04 1.79 1.67 1rh1A1 LYS 345 HG2 0.08 0.17 -0.06 -0.04 1.46 1.62 1rh1A1 LYS 345 HG3 0.08 0.03 0.06 -0.04 1.46 1.59 1rh1A1 LYS 345 HD2 0.03 -0.04 -0.01 -0.04 1.69 1.62 1rh1A1 LYS 345 HD3 0.02 -0.01 -0.04 -0.04 1.68 1.61 1rh1A1 LYS 345 HE2 0.03 -0.01 -0.02 -0.04 2.99 2.94 1rh1A1 LYS 345 HE3 0.04 0.08 0.05 -0.04 2.99 3.12 1rh1A1 ALA 346 H -0.04 0.33 -0.48 -0.55 8.40 7.67 1rh1A1 ALA 346 HA -0.04 0.03 0.39 -0.75 4.34 3.96 1rh1A1 ALA 346 HB3 -0.02 0.04 0.04 -0.04 1.41 1.43 1rh1A1 LEU 347 H -0.14 0.41 -0.22 -0.55 8.37 7.87 1rh1A1 LEU 347 HA -0.11 -0.01 0.52 -0.75 4.35 4.00 1rh1A1 LEU 347 HB2 -0.11 0.03 0.11 -0.04 1.64 1.63 1rh1A1 LEU 347 HB3 -0.35 0.23 0.19 -0.04 1.64 1.67 1rh1A1 LEU 347 HG -0.31 -0.03 -0.22 -0.04 1.64 1.04 1rh1A1 LEU 347 HD13 -0.02 -0.03 0.00 -0.04 0.93 0.84 1rh1A1 LEU 347 HD23 -0.15 0.01 -0.05 -0.04 0.89 0.66 1rh1A1 SER 348 H -0.39 0.44 -0.08 -0.55 8.46 7.89 1rh1A1 SER 348 HA -0.26 -0.06 0.33 -0.75 4.49 3.75 1rh1A1 SER 348 HB2 -0.17 0.15 0.17 -0.04 3.95 4.06 1rh1A1 SER 348 HB3 -0.12 0.10 0.05 -0.04 3.93 3.91 1rh1A1 ARG 349 H -0.11 0.40 -0.33 -0.55 8.46 7.87 1rh1A1 ARG 349 HA -0.05 0.01 0.28 -0.75 4.34 3.82 1rh1A1 ARG 349 HB2 -0.04 0.12 0.14 -0.04 1.90 2.08 1rh1A1 ARG 349 HB3 -0.02 -0.05 0.03 -0.04 1.80 1.72 1rh1A1 ARG 349 HG2 -0.05 0.12 0.10 -0.04 1.67 1.80 1rh1A1 ARG 349 HG3 -0.02 -0.05 0.03 -0.04 1.67 1.59 1rh1A1 ARG 349 HD2 -0.01 -0.03 -0.03 -0.04 3.22 3.10 1rh1A1 ARG 349 HD3 -0.02 -0.03 0.00 -0.04 3.22 3.13 1rh1A1 GLU 350 H -0.08 0.47 -0.09 -0.55 8.60 8.35 1rh1A1 GLU 350 HA 0.01 -0.03 0.35 -0.75 4.29 3.86 1rh1A1 GLU 350 HB2 -0.13 0.22 0.26 -0.04 2.09 2.40 1rh1A1 GLU 350 HB3 0.14 -0.10 -0.01 -0.04 1.99 1.97 1rh1A1 GLU 350 HG2 0.02 0.11 0.10 -0.04 2.34 2.53 1rh1A1 GLU 350 HG3 0.09 -0.06 0.03 -0.04 2.34 2.37 1rh1A1 ILE 351 H -0.36 0.52 -0.07 -0.55 8.25 7.79 1rh1A1 ILE 351 HA -0.51 -0.01 0.38 -0.75 4.18 3.29 1rh1A1 ILE 351 HB -0.28 0.07 0.10 -0.04 1.89 1.74 1rh1A1 ILE 351 HG12 -1.46 -0.07 -0.03 -0.04 1.49 -0.12 1rh1A1 ILE 351 HG13 -0.71 0.08 -0.09 -0.04 1.21 0.45 1rh1A1 ILE 351 HG23 -0.17 -0.01 -0.14 -0.04 0.93 0.58 1rh1A1 ILE 351 HD13 -0.28 -0.02 -0.05 -0.04 0.88 0.50 1rh1A1 ALA 352 H -0.13 0.77 -0.03 -0.55 8.40 8.46 1rh1A1 ALA 352 HA -0.04 -0.05 0.38 -0.75 4.34 3.87 1rh1A1 ALA 352 HB3 -0.04 0.01 0.10 -0.04 1.41 1.44 1rh1A1 GLU 353 H -0.03 0.69 -0.10 -0.55 8.60 8.62 1rh1A1 GLU 353 HA 0.02 -0.01 0.38 -0.75 4.29 3.94 1rh1A1 GLU 353 HB2 0.04 0.08 0.18 -0.04 2.09 2.34 1rh1A1 GLU 353 HB3 0.05 -0.05 -0.02 -0.04 1.99 1.93 1rh1A1 GLU 353 HG2 0.02 -0.04 -0.01 -0.04 2.34 2.27 1rh1A1 GLU 353 HG3 0.00 0.12 -0.02 -0.04 2.34 2.40 1rh1A1 ASN 354 H 0.07 0.69 -0.02 -0.55 8.53 8.72 1rh1A1 ASN 354 HA 0.16 -0.00 0.34 -0.75 4.76 4.51 1rh1A1 ASN 354 HB2 0.18 0.18 0.21 -0.04 2.88 3.41 1rh1A1 ASN 354 HB3 0.27 -0.04 -0.04 -0.04 2.79 2.94 1rh1A1 ASN 354 HD21 0.15 -0.05 -0.02 -0.04 7.03 7.07 1rh1A1 ASN 354 HD22 0.28 0.02 -0.01 -0.04 7.74 7.99 1rh1A1 ILE 355 H 0.04 0.51 -0.23 -0.55 8.25 8.03 1rh1A1 ILE 355 HA 0.04 0.03 0.56 -0.75 4.18 4.05 1rh1A1 ILE 355 HB 0.00 0.09 0.13 -0.04 1.89 2.07 1rh1A1 ILE 355 HG12 -0.10 -0.05 -0.05 -0.04 1.49 1.26 1rh1A1 ILE 355 HG13 -0.03 0.29 0.00 -0.04 1.21 1.43 1rh1A1 ILE 355 HG23 -0.01 -0.03 -0.07 -0.04 0.93 0.79 1rh1A1 ILE 355 HD13 -0.02 -0.03 -0.14 -0.04 0.88 0.64 1rh1A1 ASN 356 H 0.05 0.67 -0.02 -0.55 8.53 8.69 1rh1A1 ASN 356 HA 0.06 -0.02 0.17 -0.75 4.76 4.21 1rh1A1 ASN 356 HB2 0.03 0.15 0.18 -0.04 2.88 3.20 1rh1A1 ASN 356 HB3 0.04 0.04 0.06 -0.04 2.79 2.88 1rh1A1 ASN 356 HD21 0.02 -0.04 0.04 -0.04 7.03 7.01 1rh1A1 ASN 356 HD22 0.03 0.02 0.02 -0.04 7.74 7.76 1rh1A1 ASN 357 H 0.12 0.19 -0.71 -0.55 8.53 7.59 1rh1A1 ASN 357 HA 0.07 0.17 0.98 -0.75 4.76 5.23 1rh1A1 ASN 357 HB2 0.09 0.04 -0.01 -0.04 2.88 2.96 1rh1A1 ASN 357 HB3 0.05 -0.05 0.11 -0.04 2.79 2.86 1rh1A1 ASN 357 HD21 0.04 -0.06 -0.13 -0.04 7.03 6.83 1rh1A1 ASN 357 HD22 0.04 0.20 -0.19 -0.04 7.74 7.75 1rh1A1 PHE 358 H 0.27 0.33 -0.13 -0.55 8.34 8.26 1rh1A1 PHE 358 HA 0.04 0.00 0.34 -0.75 4.62 4.25 1rh1A1 PHE 358 HB2 0.06 0.27 0.39 -0.04 3.15 3.83 1rh1A1 PHE 358 HB3 0.05 -0.01 0.10 -0.04 3.06 3.16 1rh1A1 PHE 358 HD2 0.06 0.00 -0.07 -0.04 7.28 7.24 1rh1A1 PHE 358 HE2 0.06 -0.06 -0.24 -0.04 7.38 7.11 1rh1A1 PHE 358 HZ 0.06 0.03 -0.66 -0.04 7.32 6.70 1rh1A1 GLN 359 H 0.11 0.12 -0.71 -0.55 8.47 7.46 1rh1A1 GLN 359 HA 0.08 -0.15 0.50 -0.75 4.36 4.04 1rh1A1 GLN 359 HB2 0.07 0.02 0.03 -0.04 2.15 2.22 1rh1A1 GLN 359 HB3 0.03 0.09 0.08 -0.04 2.02 2.19 1rh1A1 GLN 359 HG2 0.02 0.02 -0.08 -0.04 2.40 2.32 1rh1A1 GLN 359 HG3 0.04 -0.11 0.07 -0.04 2.39 2.35 1rh1A1 GLN 359 HE21 0.02 0.16 0.13 -0.04 6.97 7.23 1rh1A1 GLN 359 HE22 0.02 -0.07 0.08 -0.04 7.69 7.68 1rh1A1 GLY 360 H 0.00 0.03 0.24 -0.55 8.43 8.16 1rh1A1 GLY 360 HA2 -0.03 -0.05 0.42 -0.51 4.01 3.84 1rh1A1 GLY 360 HA3 -0.05 0.15 0.59 -0.51 4.01 4.19 1rh1A1 LYS 361 H -0.30 0.54 -0.47 -0.55 8.42 7.63 1rh1A1 LYS 361 HA -0.26 0.07 0.66 -0.75 4.32 4.04 1rh1A1 LYS 361 HB2 -1.60 0.12 0.10 -0.04 1.87 0.45 1rh1A1 LYS 361 HB3 -0.73 -0.07 0.13 -0.04 1.79 1.08 1rh1A1 LYS 361 HG2 -0.22 -0.06 -0.01 -0.04 1.46 1.12 1rh1A1 LYS 361 HG3 -0.25 0.13 -0.14 -0.04 1.46 1.16 1rh1A1 LYS 361 HD2 -0.27 -0.02 -0.02 -0.04 1.69 1.33 1rh1A1 LYS 361 HD3 -0.15 -0.07 -0.01 -0.04 1.68 1.41 1rh1A1 LYS 361 HE2 -0.05 -0.09 -0.04 -0.04 2.99 2.77 1rh1A1 LYS 361 HE3 -0.07 0.17 -0.05 -0.04 2.99 3.00 1rh1A1 THR 362 H -0.25 0.20 0.18 -0.55 8.28 7.87 1rh1A1 THR 362 HA 0.05 0.01 0.86 -0.75 4.39 4.56 1rh1A1 THR 362 HB -0.03 -0.02 0.13 -0.04 4.32 4.36 1rh1A1 THR 362 HG23 0.02 0.06 -0.03 -0.04 1.22 1.22 1rh1A1 ILE 363 H 0.21 -0.01 0.16 -0.55 8.25 8.06 1rh1A1 ILE 363 HA 0.49 0.18 0.38 -0.75 4.18 4.48 1rh1A1 ILE 363 HB 0.28 0.01 0.17 -0.04 1.89 2.32 1rh1A1 ILE 363 HG12 0.06 -0.11 0.11 -0.04 1.49 1.51 1rh1A1 ILE 363 HG13 0.07 0.08 -0.10 -0.04 1.21 1.22 1rh1A1 ILE 363 HG23 -0.04 -0.01 0.01 -0.04 0.93 0.85 1rh1A1 ILE 363 HD13 -0.24 -0.01 -0.08 -0.04 0.88 0.51 1rh1A1 ARG 364 H 0.21 0.50 0.25 -0.55 8.46 8.87 1rh1A1 ARG 364 HA 0.01 0.07 0.45 -0.75 4.34 4.12 1rh1A1 ARG 364 HB2 -0.01 0.05 0.10 -0.04 1.90 2.00 1rh1A1 ARG 364 HB3 -0.06 -0.16 0.08 -0.04 1.80 1.62 1rh1A1 ARG 364 HG2 0.04 0.06 -0.07 -0.04 1.67 1.65 1rh1A1 ARG 364 HG3 0.05 0.01 -0.59 -0.04 1.67 1.09 1rh1A1 ARG 364 HD2 -0.04 -0.10 -0.04 -0.04 3.22 3.00 1rh1A1 ARG 364 HD3 -0.03 -0.04 -0.14 -0.04 3.22 2.97 1rh1A1 SER 365 H -0.12 0.07 0.15 -0.55 8.46 8.02 1rh1A1 SER 365 HA -0.57 0.21 0.57 -0.75 4.49 3.94 1rh1A1 SER 365 HB2 -0.63 0.01 0.16 -0.04 3.95 3.45 1rh1A1 SER 365 HB3 -0.22 0.14 0.16 -0.04 3.93 3.96 1rh1A1 TYR 366 H -1.38 0.22 0.17 -0.55 8.29 6.75 1rh1A1 TYR 366 HA -0.01 0.13 0.41 -0.75 4.56 4.34 1rh1A1 TYR 366 HB2 -0.02 0.04 -0.03 -0.04 3.06 3.01 1rh1A1 TYR 366 HB3 -0.00 0.08 0.08 -0.04 2.98 3.10 1rh1A1 TYR 366 HD2 -0.00 -0.07 0.09 -0.04 7.15 7.12 1rh1A1 TYR 366 HE2 0.01 0.05 0.04 -0.04 6.85 6.91 1rh1A1 ASP 367 H 0.29 0.12 -0.08 -0.55 8.40 8.18 1rh1A1 ASP 367 HA 0.06 0.10 0.30 -0.75 4.63 4.34 1rh1A1 ASP 367 HB2 0.10 -0.02 0.03 -0.04 2.71 2.79 1rh1A1 ASP 367 HB3 0.05 0.07 0.00 -0.04 2.70 2.78 1rh1A1 ASP 368 H -0.06 0.04 -0.40 -0.55 8.40 7.43 1rh1A1 ASP 368 HA -0.04 0.11 0.50 -0.75 4.63 4.43 1rh1A1 ASP 368 HB2 -0.09 0.06 0.11 -0.04 2.71 2.74 1rh1A1 ASP 368 HB3 -0.07 0.05 -0.04 -0.04 2.70 2.59 1rh1A1 ALA 369 H -0.15 0.69 -0.04 -0.55 8.40 8.35 1rh1A1 ALA 369 HA -0.23 0.16 0.50 -0.75 4.34 4.02 1rh1A1 ALA 369 HB3 -0.57 0.02 -0.06 -0.04 1.41 0.76 1rh1A1 MET 370 H -0.10 0.59 -0.09 -0.55 8.47 8.33 1rh1A1 MET 370 HA -0.07 -0.01 0.39 -0.75 4.52 4.07 1rh1A1 MET 370 HB2 -0.01 0.12 0.05 -0.04 2.15 2.27 1rh1A1 MET 370 HB3 -0.01 -0.02 -0.01 -0.04 2.03 1.95 1rh1A1 MET 370 HG2 -0.04 0.04 0.01 -0.04 2.63 2.60 1rh1A1 MET 370 HG3 0.01 -0.03 -0.04 -0.04 2.56 2.46 1rh1A1 MET 370 HE3 0.05 -0.02 -0.04 -0.04 2.10 2.04 1rh1A1 SER 371 H -0.06 0.26 -0.58 -0.55 8.46 7.54 1rh1A1 SER 371 HA -0.02 0.09 0.69 -0.75 4.49 4.49 1rh1A1 SER 371 HB2 -0.02 -0.05 0.08 -0.04 3.95 3.91 1rh1A1 SER 371 HB3 -0.02 0.07 0.12 -0.04 3.93 4.06 1rh1A1 SER 372 H -0.08 0.35 -0.21 -0.55 8.46 7.98 1rh1A1 SER 372 HA -0.06 0.04 0.40 -0.75 4.49 4.12 1rh1A1 SER 372 HB2 -0.12 0.19 0.33 -0.04 3.95 4.31 1rh1A1 SER 372 HB3 -0.08 -0.05 0.06 -0.04 3.93 3.82 1rh1A1 ILE 373 H -0.11 0.59 0.10 -0.55 8.25 8.28 1rh1A1 ILE 373 HA -0.11 0.04 0.29 -0.75 4.18 3.64 1rh1A1 ILE 373 HB -0.23 -0.02 0.05 -0.04 1.89 1.66 1rh1A1 ILE 373 HG12 -0.07 -0.01 -0.07 -0.04 1.49 1.30 1rh1A1 ILE 373 HG13 -0.04 0.05 -0.06 -0.04 1.21 1.13 1rh1A1 ILE 373 HG23 -0.18 0.08 -0.01 -0.04 0.93 0.78 1rh1A1 ILE 373 HD13 -0.03 -0.03 -0.15 -0.04 0.88 0.63 1rh1A1 ASN 374 H -0.03 0.33 -0.56 -0.55 8.53 7.72 1rh1A1 ASN 374 HA 0.03 0.03 0.42 -0.75 4.76 4.48 1rh1A1 ASN 374 HB2 -0.01 0.16 0.08 -0.04 2.88 3.06 1rh1A1 ASN 374 HB3 0.01 -0.04 -0.02 -0.04 2.79 2.70 1rh1A1 ASN 374 HD21 0.05 -0.09 0.01 -0.04 7.03 6.96 1rh1A1 ASN 374 HD22 0.07 -0.01 -0.01 -0.04 7.74 7.75 1rh1A1 LYS 375 H -0.04 0.40 -0.35 -0.55 8.42 7.88 1rh1A1 LYS 375 HA -0.02 0.03 0.53 -0.75 4.32 4.11 1rh1A1 LYS 375 HB2 -0.04 0.06 0.15 -0.04 1.87 2.00 1rh1A1 LYS 375 HB3 -0.05 0.31 0.26 -0.04 1.79 2.27 1rh1A1 LYS 375 HG2 -0.08 -0.03 -0.13 -0.04 1.46 1.18 1rh1A1 LYS 375 HG3 -0.05 -0.04 0.04 -0.04 1.46 1.37 1rh1A1 LYS 375 HD2 -0.07 0.01 -0.06 -0.04 1.69 1.53 1rh1A1 LYS 375 HD3 -0.08 -0.06 -0.04 -0.04 1.68 1.46 1rh1A1 LYS 375 HE2 -0.03 0.00 -0.01 -0.04 2.99 2.91 1rh1A1 LYS 375 HE3 -0.04 0.03 -0.03 -0.04 2.99 2.90 1rh1A1 LEU 376 H -0.06 0.32 -0.12 -0.55 8.37 7.96 1rh1A1 LEU 376 HA -0.06 0.02 0.52 -0.75 4.35 4.08 1rh1A1 LEU 376 HB2 -0.08 -0.01 0.14 -0.04 1.64 1.64 1rh1A1 LEU 376 HB3 -0.10 0.12 0.24 -0.04 1.64 1.86 1rh1A1 LEU 376 HG -0.11 0.06 -0.28 -0.04 1.64 1.26 1rh1A1 LEU 376 HD13 -0.07 -0.02 0.02 -0.04 0.93 0.81 1rh1A1 LEU 376 HD23 -0.16 -0.01 -0.03 -0.04 0.89 0.65 1rh1A1 MET 377 H -0.03 0.58 0.04 -0.55 8.47 8.51 1rh1A1 MET 377 HA 0.04 0.09 0.41 -0.75 4.52 4.31 1rh1A1 MET 377 HB2 0.04 0.18 0.17 -0.04 2.15 2.50 1rh1A1 MET 377 HB3 0.12 0.02 0.03 -0.04 2.03 2.16 1rh1A1 MET 377 HG2 0.33 -0.05 0.02 -0.04 2.63 2.88 1rh1A1 MET 377 HG3 0.23 0.04 0.09 -0.04 2.56 2.88 1rh1A1 MET 377 HE3 0.21 0.00 -0.03 -0.04 2.10 2.24 1rh1A1 ALA 378 H 0.01 0.05 -1.04 -0.55 8.40 6.87 1rh1A1 ALA 378 HA 0.04 0.08 0.64 -0.75 4.34 4.35 1rh1A1 ALA 378 HB3 0.01 0.07 0.09 -0.04 1.41 1.54 1rh1A1 ASN 379 H 0.01 0.39 -0.17 -0.55 8.53 8.21 1rh1A1 ASN 379 HA 0.02 -0.00 0.46 -0.75 4.76 4.48 1rh1A1 ASN 379 HB2 -0.02 0.09 0.25 -0.04 2.88 3.16 1rh1A1 ASN 379 HB3 0.01 0.09 0.22 -0.04 2.79 3.07 1rh1A1 ASN 379 HD21 0.01 -0.13 0.05 -0.04 7.03 6.92 1rh1A1 ASN 379 HD22 -0.02 0.03 0.10 -0.04 7.74 7.81 1rh1A1 PRO 380 HA 0.06 0.20 0.47 -0.51 4.44 4.65 1rh1A1 PRO 380 HB2 0.04 -0.02 0.04 -0.04 2.28 2.29 1rh1A1 PRO 380 HB3 0.04 0.10 0.13 -0.04 2.02 2.25 1rh1A1 PRO 380 HG2 0.03 -0.09 0.04 -0.04 2.03 1.98 1rh1A1 PRO 380 HG3 0.03 0.04 0.09 -0.04 2.03 2.15 1rh1A1 PRO 380 HD2 0.03 -0.04 0.27 -0.04 3.68 3.90 1rh1A1 PRO 380 HD3 0.03 0.39 0.33 -0.04 3.65 4.35 1rh1A1 SER 381 H 0.04 0.06 -0.28 -0.55 8.46 7.73 1rh1A1 SER 381 HA 0.06 0.20 0.76 -0.75 4.49 4.75 1rh1A1 SER 381 HB2 0.04 0.07 0.12 -0.04 3.95 4.14 1rh1A1 SER 381 HB3 0.04 -0.02 0.02 -0.04 3.93 3.93 1rh1A1 LEU 382 H 0.08 0.42 -0.66 -0.55 8.37 7.67 1rh1A1 LEU 382 HA 0.16 0.09 0.71 -0.75 4.35 4.56 1rh1A1 LEU 382 HB2 0.04 -0.13 0.01 -0.04 1.64 1.52 1rh1A1 LEU 382 HB3 0.09 0.19 0.22 -0.04 1.64 2.09 1rh1A1 LEU 382 HG -0.06 -0.07 -0.03 -0.04 1.64 1.44 1rh1A1 LEU 382 HD13 -0.09 0.00 -0.10 -0.04 0.93 0.71 1rh1A1 LEU 382 HD23 -0.08 -0.00 -0.04 -0.04 0.89 0.73 1rh1A1 LYS 383 H 0.21 0.24 -0.15 -0.55 8.42 8.16 1rh1A1 LYS 383 HA 0.19 0.18 0.77 -0.75 4.32 4.71 1rh1A1 LYS 383 HB2 0.08 -0.03 -0.05 -0.04 1.87 1.83 1rh1A1 LYS 383 HB3 0.04 -0.03 -0.03 -0.04 1.79 1.73 1rh1A1 LYS 383 HG2 0.09 0.06 -0.03 -0.04 1.46 1.54 1rh1A1 LYS 383 HG3 0.09 0.09 -0.35 -0.04 1.46 1.25 1rh1A1 LYS 383 HD2 0.05 0.00 0.01 -0.04 1.69 1.71 1rh1A1 LYS 383 HD3 0.04 -0.08 -0.02 -0.04 1.68 1.59 1rh1A1 LYS 383 HE2 0.04 -0.08 0.02 -0.04 2.99 2.92 1rh1A1 LYS 383 HE3 0.05 0.01 0.01 -0.04 2.99 3.02 1rh1A1 ILE 384 H -0.09 0.27 0.14 -0.55 8.25 8.02 1rh1A1 ILE 384 HA -0.23 0.20 0.92 -0.75 4.18 4.32 1rh1A1 ILE 384 HB -0.26 -0.07 -0.13 -0.04 1.89 1.38 1rh1A1 ILE 384 HG12 -0.13 -0.02 -0.04 -0.04 1.49 1.25 1rh1A1 ILE 384 HG13 -0.22 0.00 -0.07 -0.04 1.21 0.88 1rh1A1 ILE 384 HG23 -1.16 0.01 -0.10 -0.04 0.93 -0.36 1rh1A1 ILE 384 HD13 -0.19 0.02 0.01 -0.04 0.88 0.67 1rh1A1 ASN 385 H -0.08 0.11 0.15 -0.55 8.53 8.17 1rh1A1 ASN 385 HA -0.04 0.30 0.95 -0.75 4.76 5.22 1rh1A1 ASN 385 HB2 -0.03 0.01 0.13 -0.04 2.88 2.96 1rh1A1 ASN 385 HB3 -0.02 0.13 0.10 -0.04 2.79 2.96 1rh1A1 ASN 385 HD21 -0.03 0.06 0.03 -0.04 7.03 7.05 1rh1A1 ASN 385 HD22 -0.02 0.06 0.01 -0.04 7.74 7.75 1rh1A1 ALA 386 H -0.03 0.26 0.18 -0.55 8.40 8.27 1rh1A1 ALA 386 HA -0.03 0.09 0.26 -0.75 4.34 3.91 1rh1A1 ALA 386 HB3 -0.02 0.05 0.12 -0.04 1.41 1.52 1rh1A1 THR 387 H -0.04 0.02 -0.52 -0.55 8.28 7.19 1rh1A1 THR 387 HA -0.03 0.17 0.59 -0.75 4.39 4.36 1rh1A1 THR 387 HB -0.03 -0.03 0.05 -0.04 4.32 4.26 1rh1A1 THR 387 HG23 -0.03 0.03 0.00 -0.04 1.22 1.18 1rh1A1 ASP 388 H -0.06 0.21 0.10 -0.55 8.40 8.10 1rh1A1 ASP 388 HA -0.07 0.08 0.60 -0.75 4.63 4.49 1rh1A1 ASP 388 HB2 -0.12 0.06 0.18 -0.04 2.71 2.80 1rh1A1 ASP 388 HB3 -0.11 0.02 0.02 -0.04 2.70 2.59 1rh1A1 LYS 389 H -0.08 0.46 -0.17 -0.55 8.42 8.07 1rh1A1 LYS 389 HA -0.09 0.06 0.33 -0.75 4.32 3.87 1rh1A1 LYS 389 HB2 -0.06 0.00 -0.14 -0.04 1.87 1.63 1rh1A1 LYS 389 HB3 -0.03 0.01 -0.02 -0.04 1.79 1.71 1rh1A1 LYS 389 HG2 0.04 -0.05 -0.20 -0.04 1.46 1.20 1rh1A1 LYS 389 HG3 0.08 0.04 -0.03 -0.04 1.46 1.50 1rh1A1 LYS 389 HD2 0.00 -0.10 -0.04 -0.04 1.69 1.51 1rh1A1 LYS 389 HD3 0.03 0.16 -0.01 -0.04 1.68 1.82 1rh1A1 LYS 389 HE2 0.04 0.13 0.01 -0.04 2.99 3.13 1rh1A1 LYS 389 HE3 -0.02 -0.10 -0.07 -0.04 2.99 2.76 1rh1A1 GLU 390 H -0.04 0.32 -0.40 -0.55 8.60 7.93 1rh1A1 GLU 390 HA -0.02 -0.00 0.24 -0.75 4.29 3.76 1rh1A1 GLU 390 HB2 -0.02 0.20 0.22 -0.04 2.09 2.45 1rh1A1 GLU 390 HB3 -0.04 0.11 0.16 -0.04 1.99 2.18 1rh1A1 GLU 390 HG2 -0.02 -0.01 0.03 -0.04 2.34 2.30 1rh1A1 GLU 390 HG3 -0.03 -0.03 -0.06 -0.04 2.34 2.18 1rh1A1 ALA 391 H -0.07 0.27 -0.44 -0.55 8.40 7.61 1rh1A1 ALA 391 HA -0.09 0.04 0.43 -0.75 4.34 3.97 1rh1A1 ALA 391 HB3 -0.09 0.04 0.14 -0.04 1.41 1.47 1rh1A1 ILE 392 H -0.13 0.46 -0.10 -0.55 8.25 7.93 1rh1A1 ILE 392 HA -0.26 0.05 0.38 -0.75 4.18 3.59 1rh1A1 ILE 392 HB -0.39 0.05 0.05 -0.04 1.89 1.56 1rh1A1 ILE 392 HG12 -0.12 -0.09 -0.03 -0.04 1.49 1.21 1rh1A1 ILE 392 HG13 -0.15 0.34 0.17 -0.04 1.21 1.52 1rh1A1 ILE 392 HG23 -0.28 -0.01 -0.05 -0.04 0.93 0.55 1rh1A1 ILE 392 HD13 -0.18 -0.03 -0.07 -0.04 0.88 0.56 1rh1A1 VAL 393 H -0.04 0.50 -0.05 -0.55 8.24 8.09 1rh1A1 VAL 393 HA 0.20 0.04 0.46 -0.75 4.13 4.08 1rh1A1 VAL 393 HB 0.02 0.08 0.13 -0.04 2.12 2.30 1rh1A1 VAL 393 HG13 0.06 -0.01 -0.08 -0.04 0.97 0.89 1rh1A1 VAL 393 HG23 0.09 0.04 -0.02 -0.04 0.95 1.02 1rh1A1 ASN 394 H -0.03 0.59 -0.07 -0.55 8.53 8.47 1rh1A1 ASN 394 HA 0.00 -0.03 0.28 -0.75 4.76 4.26 1rh1A1 ASN 394 HB2 -0.07 0.14 0.15 -0.04 2.88 3.05 1rh1A1 ASN 394 HB3 -0.05 -0.03 0.02 -0.04 2.79 2.69 1rh1A1 ASN 394 HD21 -0.02 -0.08 0.01 -0.04 7.03 6.90 1rh1A1 ASN 394 HD22 -0.04 0.01 -0.05 -0.04 7.74 7.63 1rh1A1 ALA 395 H -0.24 0.32 -0.50 -0.55 8.40 7.43 1rh1A1 ALA 395 HA -0.35 0.03 0.56 -0.75 4.34 3.82 1rh1A1 ALA 395 HB3 -1.21 0.04 0.09 -0.04 1.41 0.29 1rh1A1 TRP 396 H -0.01 0.59 -0.01 -0.55 7.97 7.99 1rh1A1 TRP 396 HA 0.14 0.03 0.67 -0.75 4.62 4.71 1rh1A1 TRP 396 HB2 0.03 0.18 0.26 -0.04 3.23 3.66 1rh1A1 TRP 396 HB3 0.08 -0.06 0.03 -0.04 3.23 3.24 1rh1A1 TRP 396 HD1 0.09 0.07 -0.14 -0.04 7.22 7.20 1rh1A1 TRP 396 HE1 0.52 -0.05 -0.08 -0.04 10.20 10.54 1rh1A1 TRP 396 HE3 -0.22 -0.05 0.07 -0.04 7.59 7.35 1rh1A1 TRP 396 HZ2 0.09 -0.02 -0.04 -0.04 7.44 7.43 1rh1A1 TRP 396 HZ3 -1.43 -0.02 -0.07 -0.04 7.13 5.56 1rh1A1 TRP 396 HH2 -0.26 0.09 -0.18 -0.04 7.19 6.80 1rh1A1 LYS 397 H 0.15 0.42 -0.10 -0.55 8.42 8.34 1rh1A1 LYS 397 HA 0.17 -0.01 0.29 -0.75 4.32 4.02 1rh1A1 LYS 397 HB2 0.05 0.14 0.04 -0.04 1.87 2.07 1rh1A1 LYS 397 HB3 0.07 -0.05 0.03 -0.04 1.79 1.80 1rh1A1 LYS 397 HG2 0.09 -0.04 -0.02 -0.04 1.46 1.45 1rh1A1 LYS 397 HG3 0.09 0.14 -0.14 -0.04 1.46 1.51 1rh1A1 LYS 397 HD2 0.03 -0.04 -0.08 -0.04 1.69 1.56 1rh1A1 LYS 397 HD3 0.04 0.01 -0.02 -0.04 1.68 1.67 1rh1A1 LYS 397 HE2 0.04 -0.03 -0.06 -0.04 2.99 2.90 1rh1A1 LYS 397 HE3 0.03 -0.02 -0.03 -0.04 2.99 2.92 1rh1A1 ALA 398 H 0.08 0.24 -0.58 -0.55 8.40 7.59 1rh1A1 ALA 398 HA 0.08 0.11 0.81 -0.75 4.34 4.58 1rh1A1 ALA 398 HB3 0.01 -0.01 0.07 -0.04 1.41 1.44 1rh1A1 PHE 399 H 0.34 0.31 -0.22 -0.55 8.34 8.22 1rh1A1 PHE 399 HA 0.11 -0.03 0.42 -0.75 4.62 4.38 1rh1A1 PHE 399 HB2 0.25 0.09 0.20 -0.04 3.15 3.64 1rh1A1 PHE 399 HB3 0.39 0.18 0.17 -0.04 3.06 3.76 1rh1A1 PHE 399 HD2 0.17 -0.02 -0.13 -0.04 7.28 7.26 1rh1A1 PHE 399 HE2 0.13 -0.01 -0.12 -0.04 7.38 7.34 1rh1A1 PHE 399 HZ 0.20 -0.03 -0.06 -0.04 7.32 7.39 1rh1A1 ASN 400 H -0.46 0.18 0.12 -0.55 8.53 7.82 1rh1A1 ASN 400 HA -0.07 0.14 0.79 -0.75 4.76 4.87 1rh1A1 ASN 400 HB2 -0.11 0.18 0.13 -0.04 2.88 3.03 1rh1A1 ASN 400 HB3 -0.25 0.00 0.23 -0.04 2.79 2.73 1rh1A1 ASN 400 HD21 -0.05 -0.00 -0.00 -0.04 7.03 6.94 1rh1A1 ASN 400 HD22 -0.07 0.11 0.03 -0.04 7.74 7.78 1rh1A1 ALA 401 H 0.09 0.41 -0.06 -0.55 8.40 8.29 1rh1A1 ALA 401 HA 0.30 0.12 0.36 -0.75 4.34 4.37 1rh1A1 ALA 401 HB3 0.26 0.05 -0.01 -0.04 1.41 1.66 1rh1A1 GLU 402 H 0.01 0.16 -0.13 -0.55 8.60 8.10 1rh1A1 GLU 402 HA 0.04 0.01 0.20 -0.75 4.29 3.79 1rh1A1 GLU 402 HB2 -0.01 0.02 0.03 -0.04 2.09 2.10 1rh1A1 GLU 402 HB3 0.01 0.03 -0.04 -0.04 1.99 1.95 1rh1A1 GLU 402 HG2 0.04 -0.02 0.02 -0.04 2.34 2.33 1rh1A1 GLU 402 HG3 0.02 0.07 0.01 -0.04 2.34 2.41 1rh1A1 ASP 403 H -0.09 0.18 -0.33 -0.55 8.40 7.61 1rh1A1 ASP 403 HA -0.07 0.09 0.74 -0.75 4.63 4.64 1rh1A1 ASP 403 HB2 -0.08 -0.02 0.06 -0.04 2.71 2.62 1rh1A1 ASP 403 HB3 -0.13 0.12 0.02 -0.04 2.70 2.67 1rh1A1 MET 404 H -0.12 0.41 -0.13 -0.55 8.47 8.09 1rh1A1 MET 404 HA 0.01 0.05 0.39 -0.75 4.52 4.22 1rh1A1 MET 404 HB2 -0.03 0.06 0.07 -0.04 2.15 2.22 1rh1A1 MET 404 HB3 0.19 0.09 0.08 -0.04 2.03 2.35 1rh1A1 MET 404 HG2 0.59 0.02 -0.03 -0.04 2.63 3.16 1rh1A1 MET 404 HG3 0.28 -0.02 -0.12 -0.04 2.56 2.67 1rh1A1 MET 404 HE3 0.20 0.02 -0.12 -0.04 2.10 2.17 1rh1A1 GLY 405 H 0.03 0.26 -0.48 -0.55 8.43 7.70 1rh1A1 GLY 405 HA2 0.12 0.05 0.20 -0.51 4.01 3.88 1rh1A1 GLY 405 HA3 0.08 -0.09 0.13 -0.51 4.01 3.62 1rh1A1 ASN 406 H -0.08 0.38 -0.08 -0.55 8.53 8.20 1rh1A1 ASN 406 HA -0.35 -0.04 0.19 -0.75 4.76 3.80 1rh1A1 ASN 406 HB2 -0.13 0.12 0.13 -0.04 2.88 2.96 1rh1A1 ASN 406 HB3 -0.15 -0.09 0.07 -0.04 2.79 2.57 1rh1A1 ASN 406 HD21 -0.01 -0.05 -0.01 -0.04 7.03 6.93 1rh1A1 ASN 406 HD22 -0.04 -0.05 0.01 -0.04 7.74 7.62 1rh1A1 LYS 407 H -0.25 0.30 -0.78 -0.55 8.42 7.13 1rh1A1 LYS 407 HA -0.34 -0.44 0.64 -0.75 4.32 3.43 1rh1A1 LYS 407 HB2 -0.08 0.22 0.14 -0.04 1.87 2.11 1rh1A1 LYS 407 HB3 -0.18 -0.09 0.01 -0.04 1.79 1.49 1rh1A1 LYS 407 HG2 -0.10 0.28 0.02 -0.04 1.46 1.62 1rh1A1 LYS 407 HG3 -0.06 0.02 -0.05 -0.04 1.46 1.33 1rh1A1 LYS 407 HD2 -0.11 -0.08 -0.26 -0.04 1.69 1.20 1rh1A1 LYS 407 HD3 -0.14 -0.15 -0.14 -0.04 1.68 1.20 1rh1A1 LYS 407 HE2 -0.08 -0.00 -0.14 -0.04 2.99 2.72 1rh1A1 LYS 407 HE3 -0.07 0.04 -0.10 -0.04 2.99 2.82 1rh1A1 PHE 408 H -0.43 -0.36 0.54 -0.55 8.34 7.54 1rh1A1 PHE 408 HA -0.18 -0.33 0.18 -0.75 4.62 3.54 1rh1A1 PHE 408 HB2 -0.07 0.02 -0.09 -0.04 3.15 2.97 1rh1A1 PHE 408 HB3 -0.14 -0.05 -0.57 -0.04 3.06 2.27 1rh1A1 PHE 408 HD2 -0.03 0.34 0.00 -0.04 7.28 7.56 1rh1A1 PHE 408 HE2 -0.08 -0.02 -0.14 -0.04 7.38 7.09 1rh1A1 PHE 408 HZ 0.02 -0.19 -0.48 -0.04 7.32 6.63 1rh1A1 ALA 409 H -0.18 -0.28 0.32 -0.55 8.40 7.71 1rh1A1 ALA 409 HA 0.02 0.39 0.87 -0.75 4.34 4.86 1rh1A1 ALA 409 HB3 -0.01 0.04 0.03 -0.04 1.41 1.43 1rh1A1 ALA 410 H -0.11 0.08 0.09 -0.55 8.40 7.91 1rh1A1 ALA 410 HA -0.04 0.30 0.86 -0.75 4.34 4.70 1rh1A1 ALA 410 HB3 -0.06 0.02 0.08 -0.04 1.41 1.41 1rh1A1 LEU 411 H -0.07 -0.25 -0.40 -0.55 8.37 7.11 1rh1A1 LEU 411 HA -0.06 0.22 0.60 -0.75 4.35 4.36 1rh1A1 LEU 411 HB2 -0.13 -0.19 -0.12 -0.04 1.64 1.16 1rh1A1 LEU 411 HB3 -0.12 -0.02 -0.13 -0.04 1.64 1.33 1rh1A1 LEU 411 HG -0.08 0.03 0.01 -0.04 1.64 1.56 1rh1A1 LEU 411 HD13 -0.06 0.04 -0.01 -0.04 0.93 0.86 1rh1A1 LEU 411 HD23 -0.12 0.00 -0.07 -0.04 0.89 0.66 1rh1A1 GLY 412 H -0.06 -0.20 -0.31 -0.55 8.43 7.31 1rh1A1 GLY 412 HA2 -0.03 0.14 0.26 -0.51 4.01 3.88 1rh1A1 GLY 412 HA3 -0.04 0.11 0.41 -0.51 4.01 3.98 1rh1A1 LYS 413 H -0.04 0.11 -0.01 -0.55 8.42 7.92 1rh1A1 LYS 413 HA 0.06 0.51 0.63 -0.75 4.32 4.77 1rh1A1 LYS 413 HB2 -0.01 -0.06 -0.15 -0.04 1.87 1.60 1rh1A1 LYS 413 HB3 -0.02 -0.03 0.16 -0.04 1.79 1.87 1rh1A1 LYS 413 HG2 -0.00 -0.04 0.11 -0.04 1.46 1.48 1rh1A1 LYS 413 HG3 0.01 0.19 0.12 -0.04 1.46 1.74 1rh1A1 LYS 413 HD2 -0.01 -0.03 -0.01 -0.04 1.69 1.59 1rh1A1 LYS 413 HD3 -0.01 -0.00 0.02 -0.04 1.68 1.65 1rh1A1 LYS 413 HE2 -0.01 0.00 -0.02 -0.04 2.99 2.92 1rh1A1 LYS 413 HE3 -0.00 0.03 -0.01 -0.04 2.99 2.97 1rh1A1 THR 414 H -0.03 -0.05 -0.02 -0.55 8.28 7.62 1rh1A1 THR 414 HA -0.18 0.10 0.33 -0.75 4.39 3.89 1rh1A1 THR 414 HB -0.33 0.04 -0.17 -0.04 4.32 3.82 1rh1A1 THR 414 HG23 -0.60 0.03 -0.10 -0.04 1.22 0.51 1rh1A1 PHE 415 H -0.07 0.26 0.25 -0.55 8.34 8.23 1rh1A1 PHE 415 HA -0.10 -0.02 0.40 -0.75 4.62 4.15 1rh1A1 PHE 415 HB2 -0.24 -0.06 0.35 -0.04 3.15 3.16 1rh1A1 PHE 415 HB3 -0.95 0.01 -0.04 -0.04 3.06 2.04 1rh1A1 PHE 415 HD2 -0.02 0.02 0.07 -0.04 7.28 7.31 1rh1A1 PHE 415 HE2 0.00 0.00 0.01 -0.04 7.38 7.36 1rh1A1 PHE 415 HZ 0.05 -0.06 -0.04 -0.04 7.32 7.23 1rh1A1 LYS 416 H -0.78 0.14 -0.05 -0.55 8.42 7.18 1rh1A1 LYS 416 HA -0.71 -0.04 0.26 -0.75 4.32 3.08 1rh1A1 LYS 416 HB2 -0.15 0.09 0.09 -0.04 1.87 1.86 1rh1A1 LYS 416 HB3 -0.09 0.05 0.28 -0.04 1.79 1.99 1rh1A1 LYS 416 HG2 -0.08 0.02 0.01 -0.04 1.46 1.38 1rh1A1 LYS 416 HG3 -0.13 -0.04 -0.11 -0.04 1.46 1.14 1rh1A1 LYS 416 HD2 -0.10 -0.02 0.01 -0.04 1.69 1.54 1rh1A1 LYS 416 HD3 -0.21 -0.05 0.03 -0.04 1.68 1.41 1rh1A1 LYS 416 HE2 -0.09 0.04 -0.01 -0.04 2.99 2.88 1rh1A1 LYS 416 HE3 -0.07 0.01 0.01 -0.04 2.99 2.90 1rh1A1 ALA 417 H -0.52 0.09 0.05 -0.55 8.40 7.47 1rh1A1 ALA 417 HA -0.09 -0.02 0.39 -0.75 4.34 3.86 1rh1A1 ALA 417 HB3 0.01 0.07 -0.03 -0.04 1.41 1.41 1rh1A1 ALA 418 H 0.17 0.18 0.03 -0.55 8.40 8.23 1rh1A1 ALA 418 HA 0.36 -0.04 0.63 -0.75 4.34 4.53 1rh1A1 ALA 418 HB3 0.20 0.04 0.08 -0.04 1.41 1.69 1rh1A1 ASP 419 H 0.25 0.83 0.43 -0.55 8.40 9.36 1rh1A1 ASP 419 HA 0.02 0.11 0.61 -0.75 4.63 4.61 1rh1A1 ASP 419 HB2 0.05 0.20 0.01 -0.04 2.71 2.93 1rh1A1 ASP 419 HB3 -0.15 0.03 -0.05 -0.04 2.70 2.49 1rh1A1 TYR 420 H 0.33 0.09 0.32 -0.55 8.29 8.47 1rh1A1 TYR 420 HA -0.21 0.13 0.65 -0.75 4.56 4.38 1rh1A1 TYR 420 HB2 0.10 0.03 0.07 -0.04 3.06 3.22 1rh1A1 TYR 420 HB3 -0.18 0.07 0.02 -0.04 2.98 2.84 1rh1A1 TYR 420 HD2 -0.47 0.12 0.12 -0.04 7.15 6.88 1rh1A1 TYR 420 HE2 -0.38 0.11 0.04 -0.04 6.85 6.58 1rh1A1 ALA 421 H 0.14 0.09 -0.21 -0.55 8.40 7.87 1rh1A1 ALA 421 HA 0.11 0.18 0.34 -0.75 4.34 4.23 1rh1A1 ALA 421 HB3 0.08 0.03 -0.04 -0.04 1.41 1.44 1rh1A1 ILE 422 H 0.05 0.10 -0.54 -0.55 8.25 7.31 1rh1A1 ILE 422 HA 0.07 0.06 0.28 -0.75 4.18 3.84 1rh1A1 ILE 422 HB -0.00 0.27 -0.01 -0.04 1.89 2.10 1rh1A1 ILE 422 HG12 0.04 0.01 -0.03 -0.04 1.49 1.46 1rh1A1 ILE 422 HG13 0.04 -0.12 -0.07 -0.04 1.21 1.03 1rh1A1 ILE 422 HG23 0.04 0.01 -0.14 -0.04 0.93 0.80 1rh1A1 ILE 422 HD13 0.02 0.02 0.02 -0.04 0.88 0.90 1rh1A1 LYS 423 H -0.04 0.17 -0.29 -0.55 8.42 7.70 1rh1A1 LYS 423 HA 0.24 0.07 0.42 -0.75 4.32 4.30 1rh1A1 LYS 423 HB2 -0.34 0.07 0.15 -0.04 1.87 1.72 1rh1A1 LYS 423 HB3 -0.23 0.01 0.02 -0.04 1.79 1.54 1rh1A1 LYS 423 HG2 -0.03 -0.02 0.01 -0.04 1.46 1.37 1rh1A1 LYS 423 HG3 -0.32 0.20 0.19 -0.04 1.46 1.49 1rh1A1 LYS 423 HD2 -1.23 -0.01 0.01 -0.04 1.69 0.42 1rh1A1 LYS 423 HD3 -2.11 -0.01 -0.00 -0.04 1.68 -0.49 1rh1A1 LYS 423 HE2 -0.60 0.02 -0.03 -0.04 2.99 2.34 1rh1A1 LYS 423 HE3 -0.21 -0.03 -0.02 -0.04 2.99 2.68 1rh1A1 ALA 424 H 0.09 0.66 -0.15 -0.55 8.40 8.45 1rh1A1 ALA 424 HA 0.23 0.04 0.33 -0.75 4.34 4.19 1rh1A1 ALA 424 HB3 0.26 0.04 0.02 -0.04 1.41 1.69 1rh1A1 ASN 425 H 0.16 0.46 -0.31 -0.55 8.53 8.29 1rh1A1 ASN 425 HA 0.22 0.02 0.51 -0.75 4.76 4.76 1rh1A1 ASN 425 HB2 0.14 -0.03 0.07 -0.04 2.88 3.03 1rh1A1 ASN 425 HB3 0.11 0.14 0.10 -0.04 2.79 3.10 1rh1A1 ASN 425 HD21 0.07 -0.02 -0.06 -0.04 7.03 6.98 1rh1A1 ASN 425 HD22 0.07 0.05 -0.09 -0.04 7.74 7.73 1rh1A1 ASN 426 H 0.14 0.39 -0.29 -0.55 8.53 8.23 1rh1A1 ASN 426 HA 0.05 0.01 0.51 -0.75 4.76 4.58 1rh1A1 ASN 426 HB2 0.19 0.16 0.18 -0.04 2.88 3.37 1rh1A1 ASN 426 HB3 0.06 -0.05 0.01 -0.04 2.79 2.78 1rh1A1 ASN 426 HD21 0.05 -0.02 -0.04 -0.04 7.03 6.98 1rh1A1 ASN 426 HD22 0.04 -0.04 -0.02 -0.04 7.74 7.68 1rh1A1 ILE 427 H 0.17 0.54 -0.10 -0.55 8.25 8.30 1rh1A1 ILE 427 HA 0.02 0.00 0.23 -0.75 4.18 3.68 1rh1A1 ILE 427 HB 0.07 0.13 0.08 -0.04 1.89 2.13 1rh1A1 ILE 427 HG12 0.42 0.28 0.01 -0.04 1.49 2.17 1rh1A1 ILE 427 HG13 0.46 -0.01 -0.08 -0.04 1.21 1.54 1rh1A1 ILE 427 HG23 -0.04 -0.01 -0.09 -0.04 0.93 0.75 1rh1A1 ILE 427 HD13 0.25 -0.02 -0.07 -0.04 0.88 0.99 1rh1A1 ARG 428 H -0.03 0.33 -0.48 -0.55 8.46 7.72 1rh1A1 ARG 428 HA -0.83 0.03 0.35 -0.75 4.34 3.13 1rh1A1 ARG 428 HB2 0.11 0.05 0.10 -0.04 1.90 2.13 1rh1A1 ARG 428 HB3 0.11 0.12 0.21 -0.04 1.80 2.20 1rh1A1 ARG 428 HG2 0.27 -0.12 -0.07 -0.04 1.67 1.71 1rh1A1 ARG 428 HG3 0.53 0.08 0.02 -0.04 1.67 2.26 1rh1A1 ARG 428 HD2 0.11 -0.05 -0.20 -0.04 3.22 3.04 1rh1A1 ARG 428 HD3 0.23 0.04 -0.21 -0.04 3.22 3.24 1rh1A1 GLU 429 H -0.01 0.63 0.08 -0.55 8.60 8.76 1rh1A1 GLU 429 HA -0.02 -0.02 0.35 -0.75 4.29 3.85 1rh1A1 GLU 429 HB2 -0.01 0.09 0.13 -0.04 2.09 2.27 1rh1A1 GLU 429 HB3 -0.02 -0.08 0.05 -0.04 1.99 1.90 1rh1A1 GLU 429 HG2 0.03 -0.05 0.06 -0.04 2.34 2.34 1rh1A1 GLU 429 HG3 0.05 0.11 0.13 -0.04 2.34 2.59 1rh1A1 LYS 430 H -0.10 0.63 -0.39 -0.55 8.42 8.01 1rh1A1 LYS 430 HA -0.12 -0.03 0.55 -0.75 4.32 3.97 1rh1A1 LYS 430 HB2 -0.05 0.19 -0.08 -0.04 1.87 1.89 1rh1A1 LYS 430 HB3 -0.05 -0.16 -0.24 -0.04 1.79 1.30 1rh1A1 LYS 430 HG2 -0.06 -0.11 -0.13 -0.04 1.46 1.11 1rh1A1 LYS 430 HG3 -0.05 -0.04 -0.12 -0.04 1.46 1.20 1rh1A1 LYS 430 HD2 -0.03 -0.00 -0.14 -0.04 1.69 1.48 1rh1A1 LYS 430 HD3 -0.05 0.24 -0.19 -0.04 1.68 1.63 1rh1A1 LYS 430 HE2 -0.04 -0.07 -0.06 -0.04 2.99 2.78 1rh1A1 LYS 430 HE3 -0.02 -0.01 -0.04 -0.04 2.99 2.88 1rh1A1 SER 431 H -0.33 0.54 -0.04 -0.55 8.46 8.07 1rh1A1 SER 431 HA 0.01 0.01 0.74 -0.75 4.49 4.50 1rh1A1 SER 431 HB2 -1.25 0.09 0.18 -0.04 3.95 2.93 1rh1A1 SER 431 HB3 -0.29 -0.12 0.01 -0.04 3.93 3.49 1rh1A1 ILE 432 H -0.23 0.49 -0.09 -0.55 8.25 7.87 1rh1A1 ILE 432 HA 0.14 -0.05 0.34 -0.75 4.18 3.86 1rh1A1 ILE 432 HB -0.04 0.21 0.21 -0.04 1.89 2.23 1rh1A1 ILE 432 HG12 0.17 -0.04 0.07 -0.04 1.49 1.65 1rh1A1 ILE 432 HG13 -0.05 0.25 0.04 -0.04 1.21 1.41 1rh1A1 ILE 432 HG23 0.03 -0.05 -0.10 -0.04 0.93 0.78 1rh1A1 ILE 432 HD13 0.12 -0.03 -0.15 -0.04 0.88 0.77 1rh1A1 GLU 433 H -0.13 0.54 0.02 -0.55 8.60 8.48 1rh1A1 GLU 433 HA -0.17 -0.13 0.57 -0.75 4.29 3.81 1rh1A1 GLU 433 HB2 -0.12 0.03 0.14 -0.04 2.09 2.10 1rh1A1 GLU 433 HB3 -0.18 0.12 0.14 -0.04 1.99 2.02 1rh1A1 GLU 433 HG2 -0.25 0.11 -0.08 -0.04 2.34 2.08 1rh1A1 GLU 433 HG3 -0.16 -0.11 0.07 -0.04 2.34 2.10 1rh1A1 GLY 434 H -0.39 -0.32 0.10 -0.55 8.43 7.27 1rh1A1 GLY 434 HA2 -1.22 -0.26 0.23 -0.51 4.01 2.25 1rh1A1 GLY 434 HA3 -2.01 0.50 0.82 -0.51 4.01 2.80 1rh1A1 TYR 435 H -0.38 0.71 -0.48 -0.55 8.29 7.59 1rh1A1 TYR 435 HA 0.17 0.07 0.61 -0.75 4.56 4.65 1rh1A1 TYR 435 HB2 0.06 0.18 0.16 -0.04 3.06 3.42 1rh1A1 TYR 435 HB3 0.12 -0.11 0.03 -0.04 2.98 2.98 1rh1A1 TYR 435 HD2 0.35 0.02 -0.13 -0.04 7.15 7.35 1rh1A1 TYR 435 HE2 0.62 -0.02 -0.11 -0.04 6.85 7.30 1rh1A1 GLN 436 H -0.04 0.64 0.19 -0.55 8.47 8.71 1rh1A1 GLN 436 HA 0.01 0.08 0.35 -0.75 4.36 4.06 1rh1A1 GLN 436 HB2 -0.07 -0.13 0.13 -0.04 2.15 2.04 1rh1A1 GLN 436 HB3 -0.03 0.00 -0.05 -0.04 2.02 1.90 1rh1A1 GLN 436 HG2 0.04 0.01 -0.01 -0.04 2.40 2.40 1rh1A1 GLN 436 HG3 -0.00 -0.01 -0.14 -0.04 2.39 2.19 1rh1A1 GLN 436 HE21 0.01 -0.00 -0.03 -0.04 6.97 6.90 1rh1A1 GLN 436 HE22 0.01 0.01 -0.06 -0.04 7.69 7.62 1rh1A1 THR 437 H -0.19 -0.43 0.00 -0.55 8.28 7.11 1rh1A1 THR 437 HA -0.07 0.33 0.94 -0.75 4.39 4.84 1rh1A1 THR 437 HB -0.09 0.09 0.09 -0.04 4.32 4.37 1rh1A1 THR 437 HG23 -0.08 0.02 -0.07 -0.04 1.22 1.05 1rh1A1 GLY 438 H -0.31 0.15 -0.08 -0.55 8.43 7.65 1rh1A1 GLY 438 HA2 -0.12 0.21 0.37 -0.51 4.01 3.96 1rh1A1 GLY 438 HA3 -0.03 0.14 0.60 -0.51 4.01 4.21 1rh1A1 ASN 439 H -0.43 -0.11 -0.18 -0.55 8.53 7.26 1rh1A1 ASN 439 HA -0.13 0.18 0.83 -0.75 4.76 4.88 1rh1A1 ASN 439 HB2 -0.13 0.14 -0.09 -0.04 2.88 2.75 1rh1A1 ASN 439 HB3 -0.21 -0.06 0.11 -0.04 2.79 2.59 1rh1A1 ASN 439 HD21 -0.05 0.00 -0.01 -0.04 7.03 6.92 1rh1A1 ASN 439 HD22 -0.07 0.05 -0.02 -0.04 7.74 7.67 1rh1A1 TRP 440 H 0.05 0.30 -0.01 -0.55 7.97 7.77 1rh1A1 TRP 440 HA -0.07 0.28 0.64 -0.75 4.62 4.71 1rh1A1 TRP 440 HB2 -0.05 0.02 0.01 -0.04 3.23 3.17 1rh1A1 TRP 440 HB3 -0.05 -0.02 0.10 -0.04 3.23 3.22 1rh1A1 TRP 440 HD1 -0.04 0.07 -0.10 -0.04 7.22 7.12 1rh1A1 TRP 440 HE1 -0.03 0.09 -0.08 -0.04 10.20 10.15 1rh1A1 TRP 440 HE3 -0.11 -0.05 0.02 -0.04 7.59 7.41 1rh1A1 TRP 440 HZ2 -0.22 0.05 -0.24 -0.04 7.44 6.99 1rh1A1 TRP 440 HZ3 -0.36 0.02 0.05 -0.04 7.13 6.80 1rh1A1 TRP 440 HH2 -1.75 0.00 -0.12 -0.04 7.19 5.28 1rh1A1 GLY 441 H 0.00 0.08 -0.39 -0.55 8.43 7.57 1rh1A1 GLY 441 HA2 0.03 0.04 0.37 -0.51 4.01 3.93 1rh1A1 GLY 441 HA3 -0.01 0.10 0.24 -0.51 4.01 3.83 1rh1A1 PRO 442 HA -0.05 0.02 0.43 -0.51 4.44 4.33 1rh1A1 PRO 442 HB2 -0.07 0.09 -0.06 -0.04 2.28 2.20 1rh1A1 PRO 442 HB3 -0.06 0.02 0.06 -0.04 2.02 1.99 1rh1A1 PRO 442 HG2 -0.12 0.20 -0.01 -0.04 2.03 2.06 1rh1A1 PRO 442 HG3 -0.11 0.03 0.01 -0.04 2.03 1.93 1rh1A1 PRO 442 HD2 -0.07 -0.03 -0.04 -0.04 3.68 3.50 1rh1A1 PRO 442 HD3 -0.06 0.13 0.02 -0.04 3.65 3.70 1rh1A1 LEU 443 H 0.03 0.18 -0.54 -0.55 8.37 7.49 1rh1A1 LEU 443 HA 0.00 0.08 0.38 -0.75 4.35 4.06 1rh1A1 LEU 443 HB2 0.23 0.10 0.04 -0.04 1.64 1.97 1rh1A1 LEU 443 HB3 0.25 0.02 -0.03 -0.04 1.64 1.84 1rh1A1 LEU 443 HG 0.17 0.13 -0.29 -0.04 1.64 1.61 1rh1A1 LEU 443 HD13 0.42 -0.01 -0.09 -0.04 0.93 1.21 1rh1A1 LEU 443 HD23 0.26 -0.02 -0.07 -0.04 0.89 1.02 1rh1A1 MET 444 H 0.07 0.62 0.08 -0.55 8.47 8.69 1rh1A1 MET 444 HA 0.06 0.07 0.38 -0.75 4.52 4.28 1rh1A1 MET 444 HB2 0.02 0.03 0.11 -0.04 2.15 2.27 1rh1A1 MET 444 HB3 -0.02 -0.05 0.05 -0.04 2.03 1.96 1rh1A1 MET 444 HG2 0.11 0.30 0.08 -0.04 2.63 3.08 1rh1A1 MET 444 HG3 -0.06 -0.07 -0.07 -0.04 2.56 2.32 1rh1A1 MET 444 HE3 -0.41 -0.01 -0.06 -0.04 2.10 1.58 1rh1A1 LEU 445 H -0.03 0.56 -0.22 -0.55 8.37 8.13 1rh1A1 LEU 445 HA -0.02 -0.02 0.38 -0.75 4.35 3.94 1rh1A1 LEU 445 HB2 -0.03 0.12 0.05 -0.04 1.64 1.75 1rh1A1 LEU 445 HB3 -0.06 0.07 -0.00 -0.04 1.64 1.61 1rh1A1 LEU 445 HG -0.06 0.00 -0.09 -0.04 1.64 1.45 1rh1A1 LEU 445 HD13 -0.05 -0.02 -0.01 -0.04 0.93 0.81 1rh1A1 LEU 445 HD23 -0.04 -0.01 -0.11 -0.04 0.89 0.69 1rh1A1 GLU 446 H -0.17 0.43 -0.28 -0.55 8.60 8.03 1rh1A1 GLU 446 HA -0.26 0.01 0.46 -0.75 4.29 3.74 1rh1A1 GLU 446 HB2 -0.15 0.10 0.12 -0.04 2.09 2.11 1rh1A1 GLU 446 HB3 -0.30 0.19 0.11 -0.04 1.99 1.95 1rh1A1 GLU 446 HG2 -0.06 -0.01 -0.09 -0.04 2.34 2.13 1rh1A1 GLU 446 HG3 -0.53 -0.02 -0.17 -0.04 2.34 1.58 1rh1A1 VAL 447 H -0.50 0.31 -0.40 -0.55 8.24 7.10 1rh1A1 VAL 447 HA -1.82 0.05 0.32 -0.75 4.13 1.93 1rh1A1 VAL 447 HB -0.67 0.09 0.09 -0.04 2.12 1.59 1rh1A1 VAL 447 HG13 -0.93 -0.01 -0.06 -0.04 0.97 -0.07 1rh1A1 VAL 447 HG23 -0.97 0.08 0.02 -0.04 0.95 0.04 1rh1A1 GLU 448 H -0.20 0.38 -0.10 -0.55 8.60 8.14 1rh1A1 GLU 448 HA -0.03 0.04 0.46 -0.75 4.29 4.01 1rh1A1 GLU 448 HB2 0.06 0.12 0.18 -0.04 2.09 2.41 1rh1A1 GLU 448 HB3 0.26 -0.06 0.06 -0.04 1.99 2.21 1rh1A1 GLU 448 HG2 0.16 0.17 0.10 -0.04 2.34 2.73 1rh1A1 GLU 448 HG3 0.31 -0.12 0.05 -0.04 2.34 2.54 1rh1A1 SER 449 H -0.17 0.57 -0.20 -0.55 8.46 8.11 1rh1A1 SER 449 HA -0.01 -0.05 0.31 -0.75 4.49 3.99 1rh1A1 SER 449 HB2 -0.18 0.27 0.13 -0.04 3.95 4.13 1rh1A1 SER 449 HB3 0.00 -0.06 0.01 -0.04 3.93 3.85 1rh1A1 TRP 450 H -0.21 0.40 -0.38 -0.55 7.97 7.23 1rh1A1 TRP 450 HA -0.06 0.00 0.23 -0.75 4.62 4.04 1rh1A1 TRP 450 HB2 -0.09 0.19 0.10 -0.04 3.23 3.39 1rh1A1 TRP 450 HB3 -0.08 -0.09 -0.04 -0.04 3.23 2.99 1rh1A1 TRP 450 HD1 -0.08 -0.06 -0.06 -0.04 7.22 6.98 1rh1A1 TRP 450 HE1 -0.06 -0.08 -0.02 -0.04 10.20 10.00 1rh1A1 TRP 450 HE3 -0.11 0.01 0.07 -0.04 7.59 7.52 1rh1A1 TRP 450 HZ2 -0.00 0.02 -0.09 -0.04 7.44 7.33 1rh1A1 TRP 450 HZ3 0.04 0.08 0.01 -0.04 7.13 7.22 1rh1A1 TRP 450 HH2 0.13 -0.01 -0.18 -0.04 7.19 7.09 1rh1A1 VAL 451 H 0.12 0.35 -0.15 -0.55 8.24 8.00 1rh1A1 VAL 451 HA 0.11 0.26 0.51 -0.75 4.13 4.25 1rh1A1 VAL 451 HB 0.07 0.04 0.23 -0.04 2.12 2.42 1rh1A1 VAL 451 HG13 0.07 0.01 -0.01 -0.04 0.97 1.00 1rh1A1 VAL 451 HG23 0.05 0.02 0.03 -0.04 0.95 1.02 1rh1A1 ILE 452 H 0.08 0.54 0.06 -0.55 8.25 8.38 1rh1A1 ILE 452 HA 0.06 -0.01 0.37 -0.75 4.18 3.85 1rh1A1 ILE 452 HB 0.05 0.07 0.13 -0.04 1.89 2.10 1rh1A1 ILE 452 HG12 0.09 -0.03 0.04 -0.04 1.49 1.56 1rh1A1 ILE 452 HG13 0.12 -0.00 0.08 -0.04 1.21 1.37 1rh1A1 ILE 452 HG23 0.02 -0.01 -0.09 -0.04 0.93 0.81 1rh1A1 ILE 452 HD13 0.09 -0.04 -0.10 -0.04 0.88 0.80 1rh1A1 SER 453 H 0.07 0.71 -0.08 -0.55 8.46 8.61 1rh1A1 SER 453 HA 0.03 0.02 0.41 -0.75 4.49 4.20 1rh1A1 SER 453 HB2 0.07 0.08 0.05 -0.04 3.95 4.11 1rh1A1 SER 453 HB3 0.03 -0.06 0.16 -0.04 3.93 4.02 1rh1A1 GLY 454 H 0.05 0.56 -0.73 -0.55 8.43 7.77 1rh1A1 GLY 454 HA2 0.03 -0.03 0.25 -0.51 4.01 3.75 1rh1A1 GLY 454 HA3 0.02 0.08 0.77 -0.51 4.01 4.38 1rh1A1 MET 455 H 0.07 0.59 0.27 -0.55 8.47 8.85 1rh1A1 MET 455 HA 0.03 0.03 0.63 -0.75 4.52 4.45 1rh1A1 MET 455 HB2 -0.01 0.04 0.01 -0.04 2.15 2.14 1rh1A1 MET 455 HB3 0.11 -0.05 -0.30 -0.04 2.03 1.75 1rh1A1 MET 455 HG2 0.07 0.03 -0.22 -0.04 2.63 2.47 1rh1A1 MET 455 HG3 0.01 -0.02 -0.02 -0.04 2.56 2.49 1rh1A1 MET 455 HE3 -0.51 0.01 -0.06 -0.04 2.10 1.51 1rh1A1 ALA 456 H 0.05 0.13 0.18 -0.55 8.40 8.22 1rh1A1 ALA 456 HA 0.06 0.14 0.53 -0.75 4.34 4.31 1rh1A1 ALA 456 HB3 0.07 0.00 0.18 -0.04 1.41 1.62 1rh1A1 SER 457 H 0.10 0.24 0.23 -0.55 8.46 8.48 1rh1A1 SER 457 HA 0.13 0.06 0.34 -0.75 4.49 4.26 1rh1A1 SER 457 HB2 0.22 0.38 0.33 -0.04 3.95 4.84 1rh1A1 SER 457 HB3 0.42 -0.01 0.04 -0.04 3.93 4.35 1rh1A1 ALA 458 H 0.23 0.15 -0.17 -0.55 8.40 8.07 1rh1A1 ALA 458 HA 0.32 0.10 0.34 -0.75 4.34 4.35 1rh1A1 ALA 458 HB3 0.22 0.04 -0.00 -0.04 1.41 1.63 1rh1A1 VAL 459 H 0.13 0.14 -0.13 -0.55 8.24 7.82 1rh1A1 VAL 459 HA 0.17 0.02 0.43 -0.75 4.13 4.00 1rh1A1 VAL 459 HB 0.10 0.10 0.13 -0.04 2.12 2.40 1rh1A1 VAL 459 HG13 0.19 0.01 0.02 -0.04 0.97 1.15 1rh1A1 VAL 459 HG23 0.10 -0.00 0.10 -0.04 0.95 1.11 1rh1A1 ALA 460 H 0.12 0.54 -0.22 -0.55 8.40 8.29 1rh1A1 ALA 460 HA 0.15 -0.01 0.37 -0.75 4.34 4.10 1rh1A1 ALA 460 HB3 0.23 0.02 -0.03 -0.04 1.41 1.60 1rh1A1 LEU 461 H 0.07 0.55 -0.21 -0.55 8.37 8.23 1rh1A1 LEU 461 HA -0.02 0.01 0.52 -0.75 4.35 4.11 1rh1A1 LEU 461 HB2 -0.17 0.15 0.16 -0.04 1.64 1.75 1rh1A1 LEU 461 HB3 -0.12 -0.01 -0.06 -0.04 1.64 1.41 1rh1A1 LEU 461 HG -0.35 -0.02 -0.02 -0.04 1.64 1.21 1rh1A1 LEU 461 HD13 -1.03 -0.00 -0.07 -0.04 0.93 -0.21 1rh1A1 LEU 461 HD23 -0.03 -0.01 0.01 -0.04 0.89 0.82 1rh1A1 SER 462 H 0.13 0.49 -0.10 -0.55 8.46 8.43 1rh1A1 SER 462 HA 0.12 -0.00 0.39 -0.75 4.49 4.25 1rh1A1 SER 462 HB2 0.25 0.10 0.21 -0.04 3.95 4.46 1rh1A1 SER 462 HB3 0.21 -0.02 -0.01 -0.04 3.93 4.07 1rh1A1 LEU 463 H 0.27 0.48 0.03 -0.55 8.37 8.61 1rh1A1 LEU 463 HA 0.33 0.00 0.36 -0.75 4.35 4.29 1rh1A1 LEU 463 HB2 -0.38 0.04 0.12 -0.04 1.64 1.38 1rh1A1 LEU 463 HB3 -0.10 0.09 0.09 -0.04 1.64 1.68 1rh1A1 LEU 463 HG -0.18 -0.01 -0.22 -0.04 1.64 1.18 1rh1A1 LEU 463 HD13 -0.36 -0.01 0.00 -0.04 0.93 0.52 1rh1A1 LEU 463 HD23 -1.05 -0.01 -0.02 -0.04 0.89 -0.24 1rh1A1 PHE 464 H 0.43 0.38 -0.46 -0.55 8.34 8.14 1rh1A1 PHE 464 HA 0.27 -0.01 0.35 -0.75 4.62 4.49 1rh1A1 PHE 464 HB2 0.26 0.06 0.09 -0.04 3.15 3.52 1rh1A1 PHE 464 HB3 0.07 0.13 0.13 -0.04 3.06 3.35 1rh1A1 PHE 464 HD2 0.06 0.02 -0.09 -0.04 7.28 7.23 1rh1A1 PHE 464 HE2 0.09 -0.02 -0.24 -0.04 7.38 7.17 1rh1A1 PHE 464 HZ 0.08 -0.04 -0.14 -0.04 7.32 7.18 1rh1A1 SER 465 H 0.23 0.68 0.00 -0.55 8.46 8.83 1rh1A1 SER 465 HA -0.07 -0.02 0.54 -0.75 4.49 4.19 1rh1A1 SER 465 HB2 0.08 0.07 0.19 -0.04 3.95 4.25 1rh1A1 SER 465 HB3 0.03 -0.09 0.03 -0.04 3.93 3.85 1rh1A1 LEU 466 H 0.14 1.02 0.07 -0.55 8.37 9.06 1rh1A1 LEU 466 HA 0.06 -0.05 0.43 -0.75 4.35 4.03 1rh1A1 LEU 466 HB2 0.28 0.08 0.03 -0.04 1.64 1.99 1rh1A1 LEU 466 HB3 0.17 -0.02 -0.09 -0.04 1.64 1.65 1rh1A1 LEU 466 HG 0.11 0.05 -0.04 -0.04 1.64 1.71 1rh1A1 LEU 466 HD13 0.03 -0.01 -0.12 -0.04 0.93 0.79 1rh1A1 LEU 466 HD23 0.01 -0.03 -0.14 -0.04 0.89 0.69 1rh1A1 THR 467 H 0.17 0.71 -0.08 -0.55 8.28 8.54 1rh1A1 THR 467 HA 0.26 -0.02 0.28 -0.75 4.39 4.15 1rh1A1 THR 467 HB 0.12 0.07 0.10 -0.04 4.32 4.58 1rh1A1 THR 467 HG23 0.20 -0.03 -0.09 -0.04 1.22 1.27 1rh1A1 LEU 468 H -0.07 0.51 -0.29 -0.55 8.37 7.97 1rh1A1 LEU 468 HA 0.21 0.04 0.42 -0.75 4.35 4.27 1rh1A1 LEU 468 HB2 -0.18 0.09 0.18 -0.04 1.64 1.69 1rh1A1 LEU 468 HB3 -0.05 -0.10 0.02 -0.04 1.64 1.47 1rh1A1 LEU 468 HG -0.87 0.37 0.10 -0.04 1.64 1.20 1rh1A1 LEU 468 HD13 -0.36 -0.03 -0.01 -0.04 0.93 0.49 1rh1A1 LEU 468 HD23 -0.07 -0.03 -0.07 -0.04 0.89 0.67 1rh1A1 GLY 469 H -0.03 0.72 0.01 -0.55 8.43 8.59 1rh1A1 GLY 469 HA2 -0.05 -0.01 0.40 -0.51 4.01 3.84 1rh1A1 GLY 469 HA3 -0.03 0.08 0.30 -0.51 4.01 3.85 1rh1A1 SER 470 H 0.00 0.63 0.07 -0.55 8.46 8.61 1rh1A1 SER 470 HA -0.06 0.00 0.37 -0.75 4.49 4.05 1rh1A1 SER 470 HB2 -0.00 -0.03 0.08 -0.04 3.95 3.95 1rh1A1 SER 470 HB3 0.00 -0.07 0.08 -0.04 3.93 3.91 1rh1A1 ALA 471 H -0.15 0.21 -0.84 -0.55 8.40 7.08 1rh1A1 ALA 471 HA -0.21 0.10 0.72 -0.75 4.34 4.19 1rh1A1 ALA 471 HB3 -0.77 0.05 0.06 -0.04 1.41 0.70 1rh1A1 LEU 472 H -0.38 0.45 0.04 -0.55 8.37 7.94 1rh1A1 LEU 472 HA -0.60 -0.01 0.42 -0.75 4.35 3.40 1rh1A1 LEU 472 HB2 -0.13 -0.01 0.11 -0.04 1.64 1.56 1rh1A1 LEU 472 HB3 -0.13 0.14 0.25 -0.04 1.64 1.85 1rh1A1 LEU 472 HG -0.05 0.01 -0.28 -0.04 1.64 1.28 1rh1A1 LEU 472 HD13 0.02 -0.02 0.00 -0.04 0.93 0.89 1rh1A1 LEU 472 HD23 0.01 -0.00 -0.09 -0.04 0.89 0.76 1rh1A1 ILE 473 H -0.15 0.53 -0.03 -0.55 8.25 8.04 1rh1A1 ILE 473 HA -0.06 0.07 0.38 -0.75 4.18 3.81 1rh1A1 ILE 473 HB -0.04 -0.02 0.11 -0.04 1.89 1.90 1rh1A1 ILE 473 HG12 -0.07 0.04 -0.05 -0.04 1.49 1.37 1rh1A1 ILE 473 HG13 -0.06 0.09 -0.37 -0.04 1.21 0.83 1rh1A1 ILE 473 HG23 -0.03 0.01 -0.06 -0.04 0.93 0.80 1rh1A1 ILE 473 HD13 -0.03 -0.02 -0.04 -0.04 0.88 0.74 1rh1A1 ALA 474 H -0.21 0.15 -1.05 -0.55 8.40 6.74 1rh1A1 ALA 474 HA -0.03 0.13 0.80 -0.75 4.34 4.48 1rh1A1 ALA 474 HB3 -0.06 0.01 -0.03 -0.04 1.41 1.30 1rh1A1 PHE 475 H -0.06 0.20 -0.00 -0.55 8.34 7.92 1rh1A1 PHE 475 HA -0.10 0.08 0.59 -0.75 4.62 4.43 1rh1A1 PHE 475 HB2 -0.13 0.05 0.13 -0.04 3.15 3.16 1rh1A1 PHE 475 HB3 -0.13 -0.07 -0.16 -0.04 3.06 2.66 1rh1A1 PHE 475 HD2 -0.19 -0.04 -0.11 -0.04 7.28 6.90 1rh1A1 PHE 475 HE2 -0.55 -0.03 -0.10 -0.04 7.38 6.66 1rh1A1 PHE 475 HZ -2.92 -0.03 -0.16 -0.04 7.32 4.17 1rh1A1 GLY 476 H 0.02 0.16 0.11 -0.55 8.43 8.17 1rh1A1 GLY 476 HA2 0.01 0.16 0.73 -0.51 4.01 4.39 1rh1A1 GLY 476 HA3 -0.02 -0.01 0.38 -0.51 4.01 3.85 1rh1A1 LEU 477 H 0.01 0.46 -0.03 -0.55 8.37 8.26 1rh1A1 LEU 477 HA -0.05 0.16 0.87 -0.75 4.35 4.58 1rh1A1 LEU 477 HB2 0.01 0.05 -0.11 -0.04 1.64 1.55 1rh1A1 LEU 477 HB3 -0.03 -0.15 0.00 -0.04 1.64 1.42 1rh1A1 LEU 477 HG 0.05 -0.05 -0.47 -0.04 1.64 1.13 1rh1A1 LEU 477 HD13 0.13 -0.00 -0.15 -0.04 0.93 0.87 1rh1A1 LEU 477 HD23 -0.20 0.05 -0.19 -0.04 0.89 0.51 1rh1A1 SER 478 H -0.05 0.07 0.12 -0.55 8.46 8.06 1rh1A1 SER 478 HA -0.07 0.20 0.43 -0.75 4.49 4.30 1rh1A1 SER 478 HB2 -0.07 0.05 0.18 -0.04 3.95 4.07 1rh1A1 SER 478 HB3 -0.06 0.09 0.15 -0.04 3.93 4.08 1rh1A1 ALA 479 H -0.17 0.19 0.17 -0.55 8.40 8.04 1rh1A1 ALA 479 HA -0.30 0.18 0.44 -0.75 4.34 3.90 1rh1A1 ALA 479 HB3 -0.71 0.04 0.11 -0.04 1.41 0.81 1rh1A1 THR 480 H -0.16 0.03 -0.17 -0.55 8.28 7.44 1rh1A1 THR 480 HA 0.03 0.18 0.36 -0.75 4.39 4.20 1rh1A1 THR 480 HB -0.02 -0.06 0.06 -0.04 4.32 4.27 1rh1A1 THR 480 HG23 0.06 0.03 0.04 -0.04 1.22 1.31 1rh1A1 VAL 481 H -0.05 0.00 -0.20 -0.55 8.24 7.45 1rh1A1 VAL 481 HA 0.07 0.04 0.36 -0.75 4.13 3.84 1rh1A1 VAL 481 HB -0.03 0.14 0.06 -0.04 2.12 2.25 1rh1A1 VAL 481 HG13 -0.02 0.03 -0.11 -0.04 0.97 0.84 1rh1A1 VAL 481 HG23 -0.05 -0.03 0.07 -0.04 0.95 0.90 1rh1A1 VAL 482 H -0.04 0.66 -0.09 -0.55 8.24 8.23 1rh1A1 VAL 482 HA 0.04 -0.00 0.29 -0.75 4.13 3.71 1rh1A1 VAL 482 HB -0.09 0.02 0.03 -0.04 2.12 2.04 1rh1A1 VAL 482 HG13 -0.01 0.01 -0.16 -0.04 0.97 0.76 1rh1A1 VAL 482 HG23 -0.01 0.04 -0.08 -0.04 0.95 0.85 1rh1A1 GLY 483 H 0.04 0.41 -0.53 -0.55 8.43 7.81 1rh1A1 GLY 483 HA2 0.03 0.03 0.49 -0.51 4.01 4.06 1rh1A1 GLY 483 HA3 0.22 0.12 0.30 -0.51 4.01 4.14 1rh1A1 PHE 484 H 0.24 0.42 0.05 -0.55 8.34 8.51 1rh1A1 PHE 484 HA 0.06 0.03 0.39 -0.75 4.62 4.35 1rh1A1 PHE 484 HB2 0.07 0.05 0.13 -0.04 3.15 3.35 1rh1A1 PHE 484 HB3 0.07 0.03 0.15 -0.04 3.06 3.27 1rh1A1 PHE 484 HD2 0.15 0.04 -0.17 -0.04 7.28 7.26 1rh1A1 PHE 484 HE2 0.30 0.02 -0.34 -0.04 7.38 7.32 1rh1A1 PHE 484 HZ 0.21 0.09 -0.12 -0.04 7.32 7.46 1rh1A1 VAL 485 H 0.23 0.59 -0.07 -0.55 8.24 8.44 1rh1A1 VAL 485 HA 0.22 -0.01 0.43 -0.75 4.13 4.01 1rh1A1 VAL 485 HB 0.14 0.10 0.03 -0.04 2.12 2.35 1rh1A1 VAL 485 HG13 0.22 -0.00 -0.06 -0.04 0.97 1.10 1rh1A1 VAL 485 HG23 0.26 -0.00 -0.04 -0.04 0.95 1.13 1rh1A1 GLY 486 H 0.02 0.43 -0.42 -0.55 8.43 7.92 1rh1A1 GLY 486 HA2 0.04 -0.02 0.34 -0.51 4.01 3.85 1rh1A1 GLY 486 HA3 -0.09 0.09 0.31 -0.51 4.01 3.81 1rh1A1 VAL 487 H -0.08 0.51 -0.24 -0.55 8.24 7.88 1rh1A1 VAL 487 HA 0.05 -0.00 0.59 -0.75 4.13 4.01 1rh1A1 VAL 487 HB -0.20 0.19 0.22 -0.04 2.12 2.29 1rh1A1 VAL 487 HG13 -0.14 -0.03 -0.12 -0.04 0.97 0.64 1rh1A1 VAL 487 HG23 -0.04 -0.00 -0.01 -0.04 0.95 0.85 1rh1A1 VAL 488 H -0.25 0.68 0.09 -0.55 8.24 8.20 1rh1A1 VAL 488 HA -0.31 -0.01 0.34 -0.75 4.13 3.39 1rh1A1 VAL 488 HB -0.01 0.03 0.17 -0.04 2.12 2.27 1rh1A1 VAL 488 HG13 -0.51 -0.01 -0.18 -0.04 0.97 0.23 1rh1A1 VAL 488 HG23 -0.35 0.03 -0.00 -0.04 0.95 0.58 1rh1A1 ILE 489 H -0.01 0.70 -0.05 -0.55 8.25 8.34 1rh1A1 ILE 489 HA -0.08 0.01 0.31 -0.75 4.18 3.67 1rh1A1 ILE 489 HB -0.04 -0.06 0.03 -0.04 1.89 1.78 1rh1A1 ILE 489 HG12 0.04 0.30 0.04 -0.04 1.49 1.83 1rh1A1 ILE 489 HG13 0.03 0.03 -0.20 -0.04 1.21 1.03 1rh1A1 ILE 489 HG23 0.10 0.04 0.03 -0.04 0.93 1.06 1rh1A1 ILE 489 HD13 0.00 -0.00 -0.15 -0.04 0.88 0.69 1rh1A1 ALA 490 H 0.00 0.37 -0.50 -0.55 8.40 7.73 1rh1A1 ALA 490 HA -0.03 0.02 0.44 -0.75 4.34 4.01 1rh1A1 ALA 490 HB3 0.04 0.04 0.12 -0.04 1.41 1.57 1rh1A1 GLY 491 H -0.06 0.79 0.04 -0.55 8.43 8.66 1rh1A1 GLY 491 HA2 -0.02 -0.04 0.41 -0.51 4.01 3.84 1rh1A1 GLY 491 HA3 -0.09 0.06 0.30 -0.51 4.01 3.77 1rh1A1 ALA 492 H -0.08 0.46 -0.33 -0.55 8.40 7.90 1rh1A1 ALA 492 HA -0.07 -0.00 0.45 -0.75 4.34 3.97 1rh1A1 ALA 492 HB3 0.05 0.02 0.04 -0.04 1.41 1.47 1rh1A1 ILE 493 H 0.10 0.71 0.08 -0.55 8.25 8.60 1rh1A1 ILE 493 HA 0.41 0.01 0.43 -0.75 4.18 4.27 1rh1A1 ILE 493 HB 0.03 0.06 0.13 -0.04 1.89 2.07 1rh1A1 ILE 493 HG12 0.16 -0.04 0.01 -0.04 1.49 1.58 1rh1A1 ILE 493 HG13 0.07 0.02 0.11 -0.04 1.21 1.37 1rh1A1 ILE 493 HG23 0.06 -0.01 -0.07 -0.04 0.93 0.86 1rh1A1 ILE 493 HD13 -0.03 0.00 0.02 -0.04 0.88 0.84 1rh1A1 GLY 494 H 0.05 0.44 -0.52 -0.55 8.43 7.86 1rh1A1 GLY 494 HA2 0.26 -0.05 0.35 -0.51 4.01 4.07 1rh1A1 GLY 494 HA3 0.14 0.07 0.27 -0.51 4.01 3.99 1rh1A1 ALA 495 H -0.01 0.55 -0.12 -0.55 8.40 8.27 1rh1A1 ALA 495 HA -0.07 -0.01 0.29 -0.75 4.34 3.79 1rh1A1 ALA 495 HB3 -0.24 0.03 0.16 -0.04 1.41 1.32 1rh1A1 PHE 496 H 0.07 0.41 -0.43 -0.55 8.34 7.84 1rh1A1 PHE 496 HA -0.04 0.04 0.67 -0.75 4.62 4.54 1rh1A1 PHE 496 HB2 -0.04 0.18 0.05 -0.04 3.15 3.31 1rh1A1 PHE 496 HB3 -0.06 -0.07 0.11 -0.04 3.06 3.00 1rh1A1 PHE 496 HD2 -0.12 0.08 -0.03 -0.04 7.28 7.17 1rh1A1 PHE 496 HE2 -0.43 -0.02 -0.08 -0.04 7.38 6.80 1rh1A1 PHE 496 HZ -0.32 0.02 0.08 -0.04 7.32 7.06 1rh1A1 ILE 497 H 0.14 0.54 -0.13 -0.55 8.25 8.25 1rh1A1 ILE 497 HA 0.24 0.17 0.97 -0.75 4.18 4.81 1rh1A1 ILE 497 HB 0.45 0.01 0.20 -0.04 1.89 2.50 1rh1A1 ILE 497 HG12 -0.04 -0.02 -0.16 -0.04 1.49 1.22 1rh1A1 ILE 497 HG13 0.15 0.28 -0.02 -0.04 1.21 1.58 1rh1A1 ILE 497 HG23 0.33 -0.02 -0.05 -0.04 0.93 1.15 1rh1A1 ILE 497 HD13 0.07 -0.04 -0.08 -0.04 0.88 0.78 1rh1A1 ASP 498 H 0.09 0.87 0.32 -0.55 8.40 9.13 1rh1A1 ASP 498 HA -0.12 0.14 0.77 -0.75 4.63 4.67 1rh1A1 ASP 498 HB2 -0.43 0.13 -0.47 -0.04 2.71 1.89 1rh1A1 ASP 498 HB3 -1.10 -0.21 -0.05 -0.04 2.70 1.31 1rh1A1 ASP 499 H -0.13 0.21 0.15 -0.55 8.40 8.09 1rh1A1 ASP 499 HA -0.07 0.15 0.59 -0.75 4.63 4.55 1rh1A1 ASP 499 HB2 -0.07 0.07 0.08 -0.04 2.71 2.75 1rh1A1 ASP 499 HB3 -0.07 0.01 0.06 -0.04 2.70 2.66 1rh1A1 LYS 500 H -0.23 0.11 -0.09 -0.55 8.42 7.65 1rh1A1 LYS 500 HA -0.08 0.09 0.37 -0.75 4.32 3.95 1rh1A1 LYS 500 HB2 -0.55 -0.04 0.07 -0.04 1.87 1.31 1rh1A1 LYS 500 HB3 -0.10 0.05 0.01 -0.04 1.79 1.70 1rh1A1 LYS 500 HG2 -0.25 -0.02 0.06 -0.04 1.46 1.22 1rh1A1 LYS 500 HG3 -0.16 0.08 0.02 -0.04 1.46 1.36 1rh1A1 LYS 500 HD2 -0.05 0.03 0.02 -0.04 1.69 1.65 1rh1A1 LYS 500 HD3 -0.08 -0.07 0.02 -0.04 1.68 1.51 1rh1A1 LYS 500 HE2 -0.09 -0.00 0.02 -0.04 2.99 2.88 1rh1A1 LYS 500 HE3 -0.06 0.05 0.01 -0.04 2.99 2.95 1rh1A1 PHE 501 H -0.41 0.16 -0.31 -0.55 8.34 7.22 1rh1A1 PHE 501 HA -0.03 0.02 0.17 -0.75 4.62 4.03 1rh1A1 PHE 501 HB2 -0.03 0.16 0.02 -0.04 3.15 3.26 1rh1A1 PHE 501 HB3 -0.03 0.05 0.00 -0.04 3.06 3.04 1rh1A1 PHE 501 HD2 -0.01 0.04 0.04 -0.04 7.28 7.30 1rh1A1 PHE 501 HE2 0.01 0.04 -0.06 -0.04 7.38 7.33 1rh1A1 PHE 501 HZ 0.02 0.09 -0.12 -0.04 7.32 7.27 1rh1A1 VAL 502 H 0.04 0.24 -0.37 -0.55 8.24 7.60 1rh1A1 VAL 502 HA 0.01 0.07 0.68 -0.75 4.13 4.13 1rh1A1 VAL 502 HB -0.03 0.07 0.10 -0.04 2.12 2.21 1rh1A1 VAL 502 HG13 -0.06 0.01 0.00 -0.04 0.97 0.88 1rh1A1 VAL 502 HG23 -0.01 -0.02 0.00 -0.04 0.95 0.88 1rh1A1 ASP 503 H -0.01 0.55 -0.01 -0.55 8.40 8.39 1rh1A1 ASP 503 HA -0.13 0.07 0.82 -0.75 4.63 4.63 1rh1A1 ASP 503 HB2 0.01 0.14 0.24 -0.04 2.71 3.05 1rh1A1 ASP 503 HB3 0.07 -0.06 0.03 -0.04 2.70 2.71 1rh1A1 GLU 504 H 0.05 0.51 -0.05 -0.55 8.60 8.57 1rh1A1 GLU 504 HA 0.06 0.01 0.27 -0.75 4.29 3.88 1rh1A1 GLU 504 HB2 0.09 0.08 0.03 -0.04 2.09 2.25 1rh1A1 GLU 504 HB3 0.04 0.03 -0.15 -0.04 1.99 1.87 1rh1A1 GLU 504 HG2 0.06 0.02 -0.05 -0.04 2.34 2.34 1rh1A1 GLU 504 HG3 0.05 -0.02 -0.01 -0.04 2.34 2.33 1rh1A1 LEU 505 H 0.02 0.30 -0.33 -0.55 8.37 7.82 1rh1A1 LEU 505 HA 0.04 0.05 0.42 -0.75 4.35 4.10 1rh1A1 LEU 505 HB2 0.00 0.11 0.17 -0.04 1.64 1.87 1rh1A1 LEU 505 HB3 -0.02 0.02 0.02 -0.04 1.64 1.62 1rh1A1 LEU 505 HG 0.01 -0.00 0.02 -0.04 1.64 1.63 1rh1A1 LEU 505 HD13 0.10 -0.01 -0.02 -0.04 0.93 0.97 1rh1A1 LEU 505 HD23 0.00 0.04 -0.06 -0.04 0.89 0.84 1rh1A1 ASN 506 H -0.06 0.40 -0.05 -0.55 8.53 8.28 1rh1A1 ASN 506 HA -0.03 -0.04 0.46 -0.75 4.76 4.40 1rh1A1 ASN 506 HB2 -0.23 0.14 0.23 -0.04 2.88 2.98 1rh1A1 ASN 506 HB3 -0.20 -0.03 0.02 -0.04 2.79 2.54 1rh1A1 ASN 506 HD21 -0.07 0.37 0.05 -0.04 7.03 7.34 1rh1A1 ASN 506 HD22 -0.16 -0.05 0.02 -0.04 7.74 7.51 1rh1A1 HIS 507 H -0.02 0.59 -0.07 -0.55 8.41 8.37 1rh1A1 HIS 507 HA 0.01 0.02 0.34 -0.75 4.63 4.25 1rh1A1 HIS 507 HB2 0.01 0.15 0.07 -0.04 3.26 3.46 1rh1A1 HIS 507 HB3 0.01 -0.02 -0.00 -0.04 3.20 3.15 1rh1A1 HIS 507 HD2 0.00 -0.01 -0.00 -0.04 6.97 6.91 1rh1A1 HIS 507 HE1 0.00 0.00 -0.01 -0.04 7.75 7.70 1rh1A1 LYS 508 H 0.08 0.39 -0.12 -0.55 8.42 8.21 1rh1A1 LYS 508 HA 0.05 0.23 1.12 -0.75 4.32 4.98 1rh1A1 LYS 508 HB2 0.05 0.18 0.09 -0.04 1.87 2.15 1rh1A1 LYS 508 HB3 0.04 -0.05 0.07 -0.04 1.79 1.80 1rh1A1 LYS 508 HG2 0.04 0.03 -0.11 -0.04 1.46 1.38 1rh1A1 LYS 508 HG3 0.07 -0.07 -0.15 -0.04 1.46 1.27 1rh1A1 LYS 508 HD2 0.03 -0.01 -0.01 -0.04 1.69 1.65 1rh1A1 LYS 508 HD3 0.03 -0.02 -0.04 -0.04 1.68 1.61 1rh1A1 LYS 508 HE2 0.05 -0.05 -0.01 -0.04 2.99 2.94 1rh1A1 LYS 508 HE3 0.04 0.05 -0.03 -0.04 2.99 3.01 1rh1A1 ILE 509 H 0.04 0.34 0.02 -0.55 8.25 8.10 1rh1A1 ILE 509 HA 0.04 0.18 0.82 -0.75 4.18 4.47 1rh1A1 ILE 509 HB 0.06 0.07 0.21 -0.04 1.89 2.19 1rh1A1 ILE 509 HG12 0.07 -0.04 -0.31 -0.04 1.49 1.17 1rh1A1 ILE 509 HG13 0.06 0.21 -0.12 -0.04 1.21 1.32 1rh1A1 ILE 509 HG23 0.10 -0.00 -0.12 -0.04 0.93 0.87 1rh1A1 ILE 509 HD13 0.13 -0.01 -0.19 -0.04 0.88 0.77 1rh1A1 ILE 510 H 0.02 0.42 0.18 -0.55 8.25 8.33 1rh1A1 ILE 510 HA 0.01 0.15 0.57 -0.75 4.18 4.16 1rh1A1 ILE 510 HB 0.01 -0.06 0.16 -0.04 1.89 1.97 1rh1A1 ILE 510 HG12 -0.00 0.04 -0.04 -0.04 1.49 1.45 1rh1A1 ILE 510 HG13 0.01 0.01 -0.07 -0.04 1.21 1.12 1rh1A1 ILE 510 HG23 0.03 -0.03 -0.23 -0.04 0.93 0.67 1rh1A1 ILE 510 HD13 -0.02 -0.01 -0.13 -0.04 0.88 0.68 1rh1A1 LYS 511 H 0.03 0.37 0.01 -0.55 8.42 8.27 1rh1A1 LYS 511 HA 0.04 0.15 0.14 -0.75 4.32 3.90 1rh1A1 LYS 511 HB2 0.02 0.12 -0.07 -0.04 1.87 1.90 1rh1A1 LYS 511 HB3 0.03 -0.04 -0.02 -0.04 1.79 1.71 1rh1A1 LYS 511 HG2 0.04 0.11 -0.35 -0.04 1.46 1.22 1rh1A1 LYS 511 HG3 0.03 -0.12 -0.97 -0.04 1.46 0.36 1rh1A1 LYS 511 HD2 0.02 -0.09 -0.09 -0.04 1.69 1.49 1rh1A1 LYS 511 HD3 0.02 0.19 -0.15 -0.04 1.68 1.69 1rh1A1 LYS 511 HE2 0.01 -0.07 -0.07 -0.04 2.99 2.82 1rh1A1 LYS 511 HE3 0.00 -0.08 -0.04 -0.04 2.99 2.82