============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 49 rings ring int. center anis. iso. TRP 15 1.040 22.046 46.181 48.356 -99.200 -91.000 TRP6 15 1.020 20.616 45.495 46.594 -99.200 -91.000 TYR 30 0.840 20.562 28.294 43.966 -99.200 -91.000 TYR 33 0.840 11.047 29.577 45.696 -99.200 -91.000 TYR 50 0.840 11.138 34.090 34.349 -99.200 -91.000 PHE 52 1.000 20.112 32.411 41.160 -99.200 -91.000 TYR 54 0.840 13.111 37.867 33.592 -99.200 -91.000 TYR 66 0.840 15.146 32.130 30.737 -99.200 -91.000 TYR 74 0.840 20.567 26.332 22.695 -99.200 -91.000 PHE 79 1.000 33.560 36.886 15.801 -99.200 -91.000 PHE 111 1.000 26.405 44.981 28.122 -99.200 -91.000 TRP 113 1.040 26.974 47.424 32.373 -99.200 -91.000 TRP6 113 1.020 26.379 45.232 33.139 -99.200 -91.000 TYR 137 0.840 33.309 16.316 25.219 -99.200 -91.000 HIS 139 0.900 40.341 22.729 19.548 -99.200 -91.000 TYR 154 0.840 21.240 25.654 29.103 -99.200 -91.000 PHE 158 1.000 26.925 20.821 27.721 -99.200 -91.000 PHE 163 1.000 28.913 13.212 26.334 -99.200 -91.000 TYR 182 0.840 29.349 22.832 40.566 -99.200 -91.000 HIS 185 0.900 27.905 28.493 47.861 -99.200 -91.000 TYR 205 0.840 28.532 39.798 25.908 -99.200 -91.000 HIS 220 0.900 35.661 29.606 42.768 -99.200 -91.000 PHE 231 1.000 37.982 11.503 44.824 -99.200 -91.000 TRP 243 1.040 47.241 9.861 47.645 -99.200 -91.000 TRP6 243 1.020 45.827 11.660 48.276 -99.200 -91.000 PHE 244 1.000 43.782 11.838 55.325 -99.200 -91.000 PHE 258 1.000 37.037 16.262 53.219 -99.200 -91.000 HIS 260 0.900 32.290 27.078 50.775 -99.200 -91.000 TYR 263 0.840 28.030 25.759 52.449 -99.200 -91.000 TYR 266 0.840 28.920 16.021 53.538 -99.200 -91.000 PHE 273 1.000 27.128 18.331 42.221 -99.200 -91.000 HIS 288 0.900 30.187 1.548 43.094 -99.200 -91.000 TYR 291 0.840 30.038 6.757 45.815 -99.200 -91.000 PHE 300 1.000 40.788 6.291 56.050 -99.200 -91.000 PHE 305 1.000 42.221 17.676 57.080 -99.200 -91.000 TYR 311 0.840 32.429 18.891 58.717 -99.200 -91.000 TYR 316 0.840 35.859 13.966 48.533 -99.200 -91.000 PHE 317 1.000 31.122 12.648 47.529 -99.200 -91.000 TYR 322 0.840 30.049 17.986 36.014 -99.200 -91.000 PHE 327 1.000 30.287 16.047 29.679 -99.200 -91.000 TYR 334 0.840 35.321 15.602 35.178 -99.200 -91.000 PHE 338 1.000 31.886 25.705 40.058 -99.200 -91.000 TRP 346 1.040 30.365 33.643 37.682 -99.200 -91.000 TRP6 346 1.020 31.520 32.445 36.018 -99.200 -91.000 HIS 349 0.900 25.277 37.304 43.075 -99.200 -91.000 PHE 350 1.000 29.383 39.425 36.655 -99.200 -91.000 TYR 353 0.840 28.635 46.435 42.571 -99.200 -91.000 TYR 367 0.840 55.746 51.631 50.724 -99.200 -91.000 TYR 375 0.840 66.912 57.124 38.889 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2r9eA1 THR 3 HA 0.01 -0.01 0.11 -0.75 4.39 3.74 2r9eA1 THR 3 HB 0.01 0.01 0.14 -0.04 4.32 4.44 2r9eA1 THR 3 HG23 0.01 0.00 0.02 -0.04 1.22 1.21 2r9eA1 GLU 4 H 0.01 0.10 0.11 -0.55 8.60 8.27 2r9eA1 GLU 4 HA 0.01 0.27 1.07 -0.75 4.29 4.88 2r9eA1 GLU 4 HB2 0.01 -0.01 0.10 -0.04 2.09 2.15 2r9eA1 GLU 4 HB3 0.01 0.01 0.02 -0.04 1.99 1.99 2r9eA1 GLU 4 HG2 0.01 0.00 0.04 -0.04 2.34 2.35 2r9eA1 GLU 4 HG3 0.01 0.01 -0.18 -0.04 2.34 2.14 2r9eA1 GLU 5 H 0.01 0.04 0.06 -0.55 8.60 8.16 2r9eA1 GLU 5 HA 0.01 0.13 0.58 -0.75 4.29 4.25 2r9eA1 GLU 5 HB2 0.01 -0.02 0.08 -0.04 2.09 2.11 2r9eA1 GLU 5 HB3 0.01 0.04 -0.16 -0.04 1.99 1.83 2r9eA1 GLU 5 HG2 0.01 0.01 -0.01 -0.04 2.34 2.31 2r9eA1 GLU 5 HG3 0.00 0.01 0.05 -0.04 2.34 2.36 2r9eA1 ILE 6 H 0.00 0.16 0.16 -0.55 8.25 8.03 2r9eA1 ILE 6 HA 0.00 0.16 0.74 -0.75 4.18 4.33 2r9eA1 ILE 6 HB 0.00 -0.01 0.16 -0.04 1.89 2.00 2r9eA1 ILE 6 HG12 0.00 -0.01 -0.03 -0.04 1.49 1.41 2r9eA1 ILE 6 HG13 0.00 0.08 -0.15 -0.04 1.21 1.10 2r9eA1 ILE 6 HG23 -0.00 -0.03 -0.22 -0.04 0.93 0.64 2r9eA1 ILE 6 HD13 -0.00 0.01 0.01 -0.04 0.88 0.85 2r9eA1 SER 7 H 0.00 0.24 0.06 -0.55 8.46 8.21 2r9eA1 SER 7 HA 0.00 0.17 0.66 -0.75 4.49 4.56 2r9eA1 SER 7 HB2 -0.00 -0.01 0.19 -0.04 3.95 4.09 2r9eA1 SER 7 HB3 0.00 0.02 0.05 -0.04 3.93 3.95 2r9eA1 LYS 8 H 0.00 0.41 -0.04 -0.55 8.42 8.23 2r9eA1 LYS 8 HA -0.00 -0.03 0.33 -0.75 4.32 3.86 2r9eA1 LYS 8 HB2 0.00 0.03 0.15 -0.04 1.87 2.01 2r9eA1 LYS 8 HB3 -0.00 0.02 0.01 -0.04 1.79 1.78 2r9eA1 LYS 8 HG2 -0.00 -0.01 0.02 -0.04 1.46 1.43 2r9eA1 LYS 8 HG3 -0.00 0.06 0.01 -0.04 1.46 1.49 2r9eA1 LYS 8 HD2 0.00 0.02 0.07 -0.04 1.69 1.74 2r9eA1 LYS 8 HD3 0.00 -0.00 0.03 -0.04 1.68 1.67 2r9eA1 LYS 8 HE2 -0.00 -0.02 0.03 -0.04 2.99 2.96 2r9eA1 LYS 8 HE3 0.00 0.02 0.07 -0.04 2.99 3.04 2r9eA1 GLY 9 H -0.01 0.14 0.19 -0.55 8.43 8.20 2r9eA1 GLY 9 HA2 -0.02 0.02 0.35 -0.51 4.01 3.85 2r9eA1 GLY 9 HA3 -0.01 0.05 0.51 -0.51 4.01 4.05 2r9eA1 LEU 10 H -0.01 0.60 -0.20 -0.55 8.37 8.21 2r9eA1 LEU 10 HA -0.01 0.06 0.20 -0.75 4.35 3.85 2r9eA1 LEU 10 HB2 -0.02 0.12 -0.05 -0.04 1.64 1.64 2r9eA1 LEU 10 HB3 -0.01 -0.03 0.17 -0.04 1.64 1.73 2r9eA1 LEU 10 HG -0.02 -0.07 -0.14 -0.04 1.64 1.37 2r9eA1 LEU 10 HD13 -0.03 -0.00 -0.06 -0.04 0.93 0.80 2r9eA1 LEU 10 HD23 -0.01 0.03 0.04 -0.04 0.89 0.91 2r9eA1 GLU 11 H -0.00 0.38 -0.55 -0.55 8.60 7.88 2r9eA1 GLU 11 HA -0.00 0.01 0.33 -0.75 4.29 3.87 2r9eA1 GLU 11 HB2 0.00 0.05 0.09 -0.04 2.09 2.19 2r9eA1 GLU 11 HB3 0.01 -0.01 0.07 -0.04 1.99 2.01 2r9eA1 GLU 11 HG2 0.01 -0.02 -0.21 -0.04 2.34 2.09 2r9eA1 GLU 11 HG3 0.01 -0.06 0.06 -0.04 2.34 2.31 2r9eA1 ASP 12 H 0.01 0.10 0.19 -0.55 8.40 8.15 2r9eA1 ASP 12 HA 0.01 -0.03 0.30 -0.75 4.63 4.15 2r9eA1 ASP 12 HB2 0.01 0.16 -0.09 -0.04 2.71 2.75 2r9eA1 ASP 12 HB3 0.02 -0.04 0.15 -0.04 2.70 2.78 2r9eA1 VAL 13 H 0.00 0.51 -0.58 -0.55 8.24 7.62 2r9eA1 VAL 13 HA 0.01 0.04 0.65 -0.75 4.13 4.09 2r9eA1 VAL 13 HB -0.00 0.08 0.07 -0.04 2.12 2.23 2r9eA1 VAL 13 HG13 0.01 -0.01 -0.15 -0.04 0.97 0.77 2r9eA1 VAL 13 HG23 0.00 0.02 -0.14 -0.04 0.95 0.79 2r9eA1 ASN 14 H 0.02 0.16 0.12 -0.55 8.53 8.29 2r9eA1 ASN 14 HA 0.03 0.08 0.85 -0.75 4.76 4.96 2r9eA1 ASN 14 HB2 0.05 0.00 0.13 -0.04 2.88 3.02 2r9eA1 ASN 14 HB3 0.06 0.04 0.02 -0.04 2.79 2.87 2r9eA1 ASN 14 HD21 0.04 -0.03 -0.03 -0.04 7.03 6.96 2r9eA1 ASN 14 HD22 0.04 -0.01 0.03 -0.04 7.74 7.76 2r9eA1 ILE 15 H 0.02 0.11 0.15 -0.55 8.25 7.97 2r9eA1 ILE 15 HA 0.02 0.23 0.75 -0.75 4.18 4.42 2r9eA1 ILE 15 HB -0.02 0.02 -0.06 -0.04 1.89 1.79 2r9eA1 ILE 15 HG12 -0.07 0.03 0.03 -0.04 1.49 1.44 2r9eA1 ILE 15 HG13 -0.03 0.03 0.04 -0.04 1.21 1.21 2r9eA1 ILE 15 HG23 -0.04 -0.01 -0.06 -0.04 0.93 0.78 2r9eA1 ILE 15 HD13 -0.09 -0.01 -0.04 -0.04 0.88 0.70 2r9eA1 LYS 16 H 0.04 0.20 0.09 -0.55 8.42 8.19 2r9eA1 LYS 16 HA -0.02 0.17 0.48 -0.75 4.32 4.20 2r9eA1 LYS 16 HB2 -0.16 0.08 0.10 -0.04 1.87 1.84 2r9eA1 LYS 16 HB3 0.10 0.14 -0.13 -0.04 1.79 1.86 2r9eA1 LYS 16 HG2 0.01 -0.16 -0.20 -0.04 1.46 1.07 2r9eA1 LYS 16 HG3 0.03 -0.02 -0.48 -0.04 1.46 0.95 2r9eA1 LYS 16 HD2 0.01 0.02 -0.13 -0.04 1.69 1.55 2r9eA1 LYS 16 HD3 0.09 -0.11 -0.16 -0.04 1.68 1.46 2r9eA1 LYS 16 HE2 -0.09 0.36 -0.03 -0.04 2.99 3.19 2r9eA1 LYS 16 HE3 0.07 0.02 -0.05 -0.04 2.99 2.99 2r9eA1 TRP 17 H -0.53 0.20 0.12 -0.55 7.97 7.22 2r9eA1 TRP 17 HA 0.05 0.15 0.90 -0.75 4.62 4.97 2r9eA1 TRP 17 HB2 0.02 0.00 0.06 -0.04 3.23 3.28 2r9eA1 TRP 17 HB3 0.02 0.03 0.06 -0.04 3.23 3.31 2r9eA1 TRP 17 HD1 0.01 0.01 -0.01 -0.04 7.22 7.19 2r9eA1 TRP 17 HE1 -0.03 0.10 -0.01 -0.04 10.20 10.22 2r9eA1 TRP 17 HE3 0.02 -0.08 -0.54 -0.04 7.59 6.95 2r9eA1 TRP 17 HZ2 -0.04 0.17 -0.08 -0.04 7.44 7.44 2r9eA1 TRP 17 HZ3 -0.01 -0.09 -0.10 -0.04 7.13 6.89 2r9eA1 TRP 17 HH2 -0.02 0.01 -0.04 -0.04 7.19 7.10 2r9eA1 THR 18 H 0.33 0.23 0.15 -0.55 8.28 8.43 2r9eA1 THR 18 HA 0.29 0.25 0.58 -0.75 4.39 4.75 2r9eA1 THR 18 HB 0.21 0.14 -0.16 -0.04 4.32 4.47 2r9eA1 THR 18 HG23 0.19 -0.01 -0.03 -0.04 1.22 1.33 2r9eA1 ARG 19 H 0.22 0.22 0.11 -0.55 8.46 8.46 2r9eA1 ARG 19 HA 0.10 0.22 0.88 -0.75 4.34 4.79 2r9eA1 ARG 19 HB2 0.08 0.05 0.01 -0.04 1.90 2.00 2r9eA1 ARG 19 HB3 0.03 0.03 0.12 -0.04 1.80 1.95 2r9eA1 ARG 19 HG2 0.07 0.02 -0.08 -0.04 1.67 1.64 2r9eA1 ARG 19 HG3 0.37 -0.02 -0.07 -0.04 1.67 1.91 2r9eA1 ARG 19 HD2 0.08 0.04 -0.02 -0.04 3.22 3.28 2r9eA1 ARG 19 HD3 0.01 0.00 0.00 -0.04 3.22 3.20 2r9eA1 LEU 20 H 0.06 0.03 -0.09 -0.55 8.37 7.82 2r9eA1 LEU 20 HA -0.19 0.20 0.31 -0.75 4.35 3.92 2r9eA1 LEU 20 HB2 -0.09 -0.03 0.07 -0.04 1.64 1.54 2r9eA1 LEU 20 HB3 -0.11 -0.00 -0.04 -0.04 1.64 1.45 2r9eA1 LEU 20 HG -0.12 -0.12 0.01 -0.04 1.64 1.37 2r9eA1 LEU 20 HD13 -0.53 0.04 -0.16 -0.04 0.93 0.24 2r9eA1 LEU 20 HD23 -0.19 0.04 -0.02 -0.04 0.89 0.68 2r9eA1 THR 21 H 0.13 0.22 -0.02 -0.55 8.28 8.06 2r9eA1 THR 21 HA 0.22 0.26 1.01 -0.75 4.39 5.13 2r9eA1 THR 21 HB 0.28 -0.09 -0.05 -0.04 4.32 4.42 2r9eA1 THR 21 HG23 0.35 0.02 -0.20 -0.04 1.22 1.35 2r9eA1 THR 22 H 0.12 0.54 0.27 -0.55 8.28 8.67 2r9eA1 THR 22 HA 0.06 0.20 0.90 -0.75 4.39 4.79 2r9eA1 THR 22 HB 0.05 0.06 -0.16 -0.04 4.32 4.22 2r9eA1 THR 22 HG23 0.03 -0.01 -0.10 -0.04 1.22 1.10 2r9eA1 ILE 23 H 0.01 0.29 0.14 -0.55 8.25 8.14 2r9eA1 ILE 23 HA 0.04 0.33 1.06 -0.75 4.18 4.85 2r9eA1 ILE 23 HB -0.13 0.01 0.03 -0.04 1.89 1.76 2r9eA1 ILE 23 HG12 -0.25 0.03 -0.15 -0.04 1.49 1.08 2r9eA1 ILE 23 HG13 -0.12 -0.10 -0.47 -0.04 1.21 0.48 2r9eA1 ILE 23 HG23 -0.29 -0.02 -0.23 -0.04 0.93 0.35 2r9eA1 ILE 23 HD13 -0.57 0.00 -0.15 -0.04 0.88 0.12 2r9eA1 ASP 24 H 0.09 0.73 0.26 -0.55 8.40 8.93 2r9eA1 ASP 24 HA 0.03 0.22 0.92 -0.75 4.63 5.04 2r9eA1 ASP 24 HB2 0.04 0.11 0.05 -0.04 2.71 2.86 2r9eA1 ASP 24 HB3 0.06 -0.20 0.24 -0.04 2.70 2.77 2r9eA1 GLY 25 H 0.02 0.30 0.05 -0.55 8.43 8.25 2r9eA1 GLY 25 HA2 0.11 -0.01 0.24 -0.51 4.01 3.84 2r9eA1 GLY 25 HA3 0.03 0.34 0.20 -0.51 4.01 4.06 2r9eA1 ASN 26 H 0.06 0.01 -0.07 -0.55 8.53 7.98 2r9eA1 ASN 26 HA 0.06 0.25 0.77 -0.75 4.76 5.09 2r9eA1 ASN 26 HB2 0.04 -0.06 0.06 -0.04 2.88 2.88 2r9eA1 ASN 26 HB3 0.04 0.09 0.06 -0.04 2.79 2.94 2r9eA1 ASN 26 HD21 0.04 0.07 0.02 -0.04 7.03 7.12 2r9eA1 ASN 26 HD22 0.03 -0.05 0.05 -0.04 7.74 7.73 2r9eA1 LYS 27 H 0.05 -0.09 -0.13 -0.55 8.42 7.70 2r9eA1 LYS 27 HA 0.01 0.27 0.76 -0.75 4.32 4.60 2r9eA1 LYS 27 HB2 0.02 -0.10 0.04 -0.04 1.87 1.79 2r9eA1 LYS 27 HB3 0.01 0.02 -0.00 -0.04 1.79 1.78 2r9eA1 LYS 27 HG2 0.01 0.05 -0.16 -0.04 1.46 1.31 2r9eA1 LYS 27 HG3 0.01 -0.01 -0.04 -0.04 1.46 1.38 2r9eA1 LYS 27 HD2 -0.00 -0.02 -0.01 -0.04 1.69 1.62 2r9eA1 LYS 27 HD3 -0.01 0.01 0.03 -0.04 1.68 1.68 2r9eA1 LYS 27 HE2 0.00 0.01 -0.04 -0.04 2.99 2.92 2r9eA1 LYS 27 HE3 -0.00 -0.01 -0.01 -0.04 2.99 2.93 2r9eA1 GLY 28 H 0.11 0.27 -0.15 -0.55 8.43 8.11 2r9eA1 GLY 28 HA2 0.12 0.01 0.26 -0.51 4.01 3.88 2r9eA1 GLY 28 HA3 -0.05 0.16 0.30 -0.51 4.01 3.91 2r9eA1 ILE 29 H 0.13 0.25 0.20 -0.55 8.25 8.28 2r9eA1 ILE 29 HA 0.02 0.18 0.93 -0.75 4.18 4.56 2r9eA1 ILE 29 HB 0.04 -0.09 0.03 -0.04 1.89 1.83 2r9eA1 ILE 29 HG12 0.00 0.10 -0.19 -0.04 1.49 1.36 2r9eA1 ILE 29 HG13 0.02 -0.08 -0.57 -0.04 1.21 0.54 2r9eA1 ILE 29 HG23 0.01 0.01 -0.12 -0.04 0.93 0.78 2r9eA1 ILE 29 HD13 0.01 0.01 -0.08 -0.04 0.88 0.78 2r9eA1 LEU 30 H 0.02 0.17 0.17 -0.55 8.37 8.19 2r9eA1 LEU 30 HA 0.09 0.39 0.99 -0.75 4.35 5.06 2r9eA1 LEU 30 HB2 0.25 0.00 0.01 -0.04 1.64 1.86 2r9eA1 LEU 30 HB3 0.01 -0.14 0.18 -0.04 1.64 1.65 2r9eA1 LEU 30 HG -0.15 -0.03 -0.25 -0.04 1.64 1.17 2r9eA1 LEU 30 HD13 0.24 0.07 -0.00 -0.04 0.93 1.20 2r9eA1 LEU 30 HD23 0.15 0.00 0.02 -0.04 0.89 1.01 2r9eA1 ARG 31 H 0.05 0.56 0.21 -0.55 8.46 8.73 2r9eA1 ARG 31 HA -0.03 0.20 0.89 -0.75 4.34 4.65 2r9eA1 ARG 31 HB2 0.03 -0.05 -0.13 -0.04 1.90 1.71 2r9eA1 ARG 31 HB3 0.02 -0.01 -0.57 -0.04 1.80 1.20 2r9eA1 ARG 31 HG2 -0.00 -0.06 -0.33 -0.04 1.67 1.23 2r9eA1 ARG 31 HG3 0.01 -0.07 -0.37 -0.04 1.67 1.19 2r9eA1 ARG 31 HD2 -0.03 -0.02 -0.20 -0.04 3.22 2.94 2r9eA1 ARG 31 HD3 -0.03 0.14 -0.18 -0.04 3.22 3.11 2r9eA1 TYR 32 H 0.12 0.66 0.16 -0.55 8.29 8.68 2r9eA1 TYR 32 HA 0.07 0.24 0.94 -0.75 4.56 5.05 2r9eA1 TYR 32 HB2 0.18 -0.02 0.16 -0.04 3.06 3.34 2r9eA1 TYR 32 HB3 0.11 0.08 -0.01 -0.04 2.98 3.12 2r9eA1 TYR 32 HD2 0.27 0.02 -0.05 -0.04 7.15 7.35 2r9eA1 TYR 32 HE2 0.18 0.17 -0.02 -0.04 6.85 7.14 2r9eA1 GLY 33 H -0.02 0.58 0.08 -0.55 8.43 8.53 2r9eA1 GLY 33 HA2 -0.05 0.21 0.30 -0.51 4.01 3.95 2r9eA1 GLY 33 HA3 -0.00 0.08 0.37 -0.51 4.01 3.94 2r9eA1 GLY 34 H -0.02 0.03 -0.43 -0.55 8.43 7.47 2r9eA1 GLY 34 HA2 -0.10 -0.03 0.18 -0.51 4.01 3.55 2r9eA1 GLY 34 HA3 -0.26 0.19 0.60 -0.51 4.01 4.03 2r9eA1 TYR 35 H 0.06 0.62 -0.47 -0.55 8.29 7.95 2r9eA1 TYR 35 HA 0.00 0.12 0.75 -0.75 4.56 4.68 2r9eA1 TYR 35 HB2 0.06 0.07 0.09 -0.04 3.06 3.24 2r9eA1 TYR 35 HB3 0.02 -0.05 -0.04 -0.04 2.98 2.87 2r9eA1 TYR 35 HD2 0.02 0.08 -0.01 -0.04 7.15 7.19 2r9eA1 TYR 35 HE2 0.00 0.01 0.00 -0.04 6.85 6.82 2r9eA1 SER 36 H 0.06 0.19 0.17 -0.55 8.46 8.34 2r9eA1 SER 36 HA -0.02 0.24 0.58 -0.75 4.49 4.53 2r9eA1 SER 36 HB2 -0.02 0.09 0.15 -0.04 3.95 4.13 2r9eA1 SER 36 HB3 0.00 0.13 0.18 -0.04 3.93 4.20 2r9eA1 VAL 37 H -0.11 0.49 0.36 -0.55 8.24 8.43 2r9eA1 VAL 37 HA -0.13 0.00 0.45 -0.75 4.13 3.69 2r9eA1 VAL 37 HB -0.17 0.00 0.14 -0.04 2.12 2.05 2r9eA1 VAL 37 HG13 -0.17 0.01 -0.06 -0.04 0.97 0.71 2r9eA1 VAL 37 HG23 -0.64 0.04 -0.02 -0.04 0.95 0.30 2r9eA1 GLU 38 H -0.07 0.12 -0.10 -0.55 8.60 8.01 2r9eA1 GLU 38 HA -0.08 0.11 0.43 -0.75 4.29 4.00 2r9eA1 GLU 38 HB2 -0.05 -0.05 0.12 -0.04 2.09 2.07 2r9eA1 GLU 38 HB3 -0.05 0.09 -0.02 -0.04 1.99 1.98 2r9eA1 GLU 38 HG2 -0.07 0.08 0.03 -0.04 2.34 2.34 2r9eA1 GLU 38 HG3 -0.09 0.01 0.05 -0.04 2.34 2.26 2r9eA1 ASP 39 H -0.02 0.02 -0.30 -0.55 8.40 7.55 2r9eA1 ASP 39 HA -0.01 0.09 0.43 -0.75 4.63 4.38 2r9eA1 ASP 39 HB2 0.01 -0.06 0.11 -0.04 2.71 2.73 2r9eA1 ASP 39 HB3 0.05 0.11 0.11 -0.04 2.70 2.94 2r9eA1 ILE 40 H 0.00 0.55 -0.09 -0.55 8.25 8.16 2r9eA1 ILE 40 HA -0.02 0.04 0.42 -0.75 4.18 3.87 2r9eA1 ILE 40 HB -0.00 0.01 0.12 -0.04 1.89 1.97 2r9eA1 ILE 40 HG12 -0.00 -0.01 -0.04 -0.04 1.49 1.40 2r9eA1 ILE 40 HG13 0.06 0.00 -0.08 -0.04 1.21 1.16 2r9eA1 ILE 40 HG23 0.03 -0.01 -0.25 -0.04 0.93 0.67 2r9eA1 ILE 40 HD13 0.18 -0.01 -0.12 -0.04 0.88 0.90 2r9eA1 ILE 41 H -0.04 0.52 -0.12 -0.55 8.25 8.06 2r9eA1 ILE 41 HA -0.04 0.06 0.50 -0.75 4.18 3.95 2r9eA1 ILE 41 HB -0.08 0.04 0.15 -0.04 1.89 1.96 2r9eA1 ILE 41 HG12 -0.12 -0.02 0.01 -0.04 1.49 1.32 2r9eA1 ILE 41 HG13 -0.06 -0.01 -0.01 -0.04 1.21 1.09 2r9eA1 ILE 41 HG23 -0.08 0.00 -0.11 -0.04 0.93 0.70 2r9eA1 ILE 41 HD13 -0.10 0.02 -0.00 -0.04 0.88 0.76 2r9eA1 ALA 42 H -0.04 0.56 -0.02 -0.55 8.40 8.35 2r9eA1 ALA 42 HA -0.04 0.00 0.36 -0.75 4.34 3.91 2r9eA1 ALA 42 HB3 -0.03 -0.01 0.12 -0.04 1.41 1.45 2r9eA1 SER 43 H -0.02 0.51 -0.29 -0.55 8.46 8.11 2r9eA1 SER 43 HA -0.02 0.03 0.31 -0.75 4.49 4.05 2r9eA1 SER 43 HB2 -0.03 0.01 0.06 -0.04 3.95 3.94 2r9eA1 SER 43 HB3 -0.03 -0.07 0.10 -0.04 3.93 3.89 2r9eA1 GLY 44 H -0.02 0.51 -0.56 -0.55 8.43 7.81 2r9eA1 GLY 44 HA2 -0.01 0.04 0.29 -0.51 4.01 3.81 2r9eA1 GLY 44 HA3 -0.01 0.00 0.46 -0.51 4.01 3.95 2r9eA1 ALA 45 H -0.02 0.39 -0.06 -0.55 8.40 8.16 2r9eA1 ALA 45 HA -0.02 -0.00 0.44 -0.75 4.34 4.00 2r9eA1 ALA 45 HB3 -0.02 -0.01 0.01 -0.04 1.41 1.35 2r9eA1 GLN 46 H -0.00 0.09 0.21 -0.55 8.47 8.22 2r9eA1 GLN 46 HA 0.04 0.16 0.71 -0.75 4.36 4.52 2r9eA1 GLN 46 HB2 0.02 0.13 0.21 -0.04 2.15 2.47 2r9eA1 GLN 46 HB3 0.04 -0.25 0.08 -0.04 2.02 1.85 2r9eA1 GLN 46 HG2 0.08 -0.20 0.18 -0.04 2.40 2.42 2r9eA1 GLN 46 HG3 0.05 0.13 0.12 -0.04 2.39 2.65 2r9eA1 GLN 46 HE21 0.07 0.26 0.20 -0.04 6.97 7.46 2r9eA1 GLN 46 HE22 0.09 -0.19 0.19 -0.04 7.69 7.73 2r9eA1 ASP 47 H 0.07 0.15 0.17 -0.55 8.40 8.25 2r9eA1 ASP 47 HA 0.04 0.16 0.41 -0.75 4.63 4.48 2r9eA1 ASP 47 HB2 0.07 0.16 0.17 -0.04 2.71 3.07 2r9eA1 ASP 47 HB3 0.09 -0.12 0.13 -0.04 2.70 2.76 2r9eA1 GLU 48 H 0.07 0.05 -0.13 -0.55 8.60 8.05 2r9eA1 GLU 48 HA 0.09 0.11 0.43 -0.75 4.29 4.17 2r9eA1 GLU 48 HB2 0.11 0.02 0.05 -0.04 2.09 2.23 2r9eA1 GLU 48 HB3 0.28 0.09 0.03 -0.04 1.99 2.35 2r9eA1 GLU 48 HG2 0.18 0.13 0.05 -0.04 2.34 2.66 2r9eA1 GLU 48 HG3 0.09 0.03 0.04 -0.04 2.34 2.47 2r9eA1 GLU 49 H 0.02 0.17 -0.30 -0.55 8.60 7.95 2r9eA1 GLU 49 HA -0.06 0.09 0.56 -0.75 4.29 4.12 2r9eA1 GLU 49 HB2 -0.02 0.14 0.11 -0.04 2.09 2.28 2r9eA1 GLU 49 HB3 -0.06 0.03 0.07 -0.04 1.99 1.99 2r9eA1 GLU 49 HG2 -0.08 0.04 0.05 -0.04 2.34 2.31 2r9eA1 GLU 49 HG3 -0.02 -0.12 0.08 -0.04 2.34 2.24 2r9eA1 ILE 50 H 0.03 0.30 -0.30 -0.55 8.25 7.72 2r9eA1 ILE 50 HA 0.10 0.08 0.45 -0.75 4.18 4.06 2r9eA1 ILE 50 HB 0.06 0.11 0.10 -0.04 1.89 2.11 2r9eA1 ILE 50 HG12 0.05 0.12 -0.05 -0.04 1.49 1.57 2r9eA1 ILE 50 HG13 0.12 -0.01 -0.06 -0.04 1.21 1.22 2r9eA1 ILE 50 HG23 0.21 0.00 -0.07 -0.04 0.93 1.03 2r9eA1 ILE 50 HD13 0.06 -0.00 -0.15 -0.04 0.88 0.74 2r9eA1 GLN 51 H 0.00 0.46 -0.01 -0.55 8.47 8.37 2r9eA1 GLN 51 HA 0.00 0.06 0.48 -0.75 4.36 4.14 2r9eA1 GLN 51 HB2 0.01 0.03 0.16 -0.04 2.15 2.31 2r9eA1 GLN 51 HB3 0.11 0.02 -0.01 -0.04 2.02 2.10 2r9eA1 GLN 51 HG2 -0.10 0.03 0.02 -0.04 2.40 2.31 2r9eA1 GLN 51 HG3 -0.07 0.14 -0.01 -0.04 2.39 2.41 2r9eA1 GLN 51 HE21 -1.13 -0.02 -0.09 -0.04 6.97 5.68 2r9eA1 GLN 51 HE22 -0.42 0.01 -0.13 -0.04 7.69 7.11 2r9eA1 TYR 52 H -0.17 0.51 -0.16 -0.55 8.29 7.92 2r9eA1 TYR 52 HA -0.26 0.01 0.42 -0.75 4.56 3.97 2r9eA1 TYR 52 HB2 -0.68 0.04 0.13 -0.04 3.06 2.51 2r9eA1 TYR 52 HB3 -0.21 0.12 0.14 -0.04 2.98 2.99 2r9eA1 TYR 52 HD2 -0.23 0.14 -0.17 -0.04 7.15 6.85 2r9eA1 TYR 52 HE2 -0.24 0.05 -0.12 -0.04 6.85 6.50 2r9eA1 LEU 53 H 0.12 0.43 -0.27 -0.55 8.37 8.11 2r9eA1 LEU 53 HA 0.12 0.12 0.14 -0.75 4.35 3.99 2r9eA1 LEU 53 HB2 0.05 0.01 -0.01 -0.04 1.64 1.65 2r9eA1 LEU 53 HB3 0.11 0.14 0.11 -0.04 1.64 1.96 2r9eA1 LEU 53 HG -0.18 0.02 -0.43 -0.04 1.64 1.01 2r9eA1 LEU 53 HD13 0.11 -0.03 -0.24 -0.04 0.93 0.74 2r9eA1 LEU 53 HD23 0.13 0.01 -0.17 -0.04 0.89 0.83 2r9eA1 PHE 54 H 0.21 0.50 -0.30 -0.55 8.34 8.20 2r9eA1 PHE 54 HA -0.07 0.01 0.47 -0.75 4.62 4.28 2r9eA1 PHE 54 HB2 -0.11 0.10 0.13 -0.04 3.15 3.23 2r9eA1 PHE 54 HB3 -0.12 -0.02 -0.10 -0.04 3.06 2.78 2r9eA1 PHE 54 HD2 -0.16 0.18 -0.02 -0.04 7.28 7.24 2r9eA1 PHE 54 HE2 -0.46 -0.08 -0.09 -0.04 7.38 6.71 2r9eA1 PHE 54 HZ -0.68 -0.06 -0.08 -0.04 7.32 6.46 2r9eA1 LEU 55 H -0.03 0.52 -0.06 -0.55 8.37 8.25 2r9eA1 LEU 55 HA -0.14 0.06 0.53 -0.75 4.35 4.04 2r9eA1 LEU 55 HB2 -0.25 0.03 0.11 -0.04 1.64 1.49 2r9eA1 LEU 55 HB3 -0.47 -0.09 0.07 -0.04 1.64 1.11 2r9eA1 LEU 55 HG 0.01 0.11 -0.01 -0.04 1.64 1.70 2r9eA1 LEU 55 HD13 0.18 -0.01 -0.09 -0.04 0.93 0.97 2r9eA1 LEU 55 HD23 -0.02 -0.01 -0.06 -0.04 0.89 0.75 2r9eA1 TYR 56 H -0.12 0.44 -0.13 -0.55 8.29 7.93 2r9eA1 TYR 56 HA -0.13 0.16 0.78 -0.75 4.56 4.62 2r9eA1 TYR 56 HB2 -0.62 0.13 0.01 -0.04 3.06 2.54 2r9eA1 TYR 56 HB3 -0.18 -0.06 0.02 -0.04 2.98 2.72 2r9eA1 TYR 56 HD2 -0.65 0.07 0.03 -0.04 7.15 6.55 2r9eA1 TYR 56 HE2 -0.07 -0.02 -0.04 -0.04 6.85 6.68 2r9eA1 GLY 57 H -0.02 0.51 0.05 -0.55 8.43 8.42 2r9eA1 GLY 57 HA2 -0.03 0.03 0.33 -0.51 4.01 3.83 2r9eA1 GLY 57 HA3 0.02 0.11 0.60 -0.51 4.01 4.23 2r9eA1 ASN 58 H 0.15 0.16 -0.28 -0.55 8.53 8.01 2r9eA1 ASN 58 HA 0.14 0.13 0.51 -0.75 4.76 4.79 2r9eA1 ASN 58 HB2 0.12 -0.03 -0.08 -0.04 2.88 2.85 2r9eA1 ASN 58 HB3 0.10 0.01 0.07 -0.04 2.79 2.93 2r9eA1 ASN 58 HD21 0.05 -0.01 -0.06 -0.04 7.03 6.96 2r9eA1 ASN 58 HD22 0.07 -0.03 -0.18 -0.04 7.74 7.56 2r9eA1 LEU 59 H 0.08 0.11 0.10 -0.55 8.37 8.12 2r9eA1 LEU 59 HA 0.01 0.13 0.57 -0.75 4.35 4.30 2r9eA1 LEU 59 HB2 -0.07 -0.03 0.05 -0.04 1.64 1.56 2r9eA1 LEU 59 HB3 -0.11 0.05 0.06 -0.04 1.64 1.60 2r9eA1 LEU 59 HG -0.20 -0.02 0.05 -0.04 1.64 1.43 2r9eA1 LEU 59 HD13 -0.53 -0.00 -0.01 -0.04 0.93 0.35 2r9eA1 LEU 59 HD23 -0.17 0.01 -0.04 -0.04 0.89 0.65 2r9eA1 PRO 60 HA -0.41 0.10 0.64 -0.51 4.44 4.26 2r9eA1 PRO 60 HB2 -0.67 0.02 -0.08 -0.04 2.28 1.51 2r9eA1 PRO 60 HB3 -2.37 0.05 -0.01 -0.04 2.02 -0.35 2r9eA1 PRO 60 HG2 -0.29 -0.01 0.06 -0.04 2.03 1.75 2r9eA1 PRO 60 HG3 -0.45 0.02 0.07 -0.04 2.03 1.63 2r9eA1 PRO 60 HD2 -0.15 0.04 0.24 -0.04 3.68 3.76 2r9eA1 PRO 60 HD3 -0.11 0.24 0.27 -0.04 3.65 4.01 2r9eA1 THR 61 H -0.18 0.12 0.16 -0.55 8.28 7.84 2r9eA1 THR 61 HA -0.09 0.18 0.59 -0.75 4.39 4.32 2r9eA1 THR 61 HB -0.06 -0.04 0.16 -0.04 4.32 4.34 2r9eA1 THR 61 HG23 -0.04 0.06 0.08 -0.04 1.22 1.28 2r9eA1 GLU 62 H -0.06 0.21 0.15 -0.55 8.60 8.36 2r9eA1 GLU 62 HA -0.06 0.11 0.31 -0.75 4.29 3.89 2r9eA1 GLU 62 HB2 -0.04 0.03 0.17 -0.04 2.09 2.21 2r9eA1 GLU 62 HB3 -0.03 0.02 0.01 -0.04 1.99 1.95 2r9eA1 GLU 62 HG2 -0.02 0.03 -0.01 -0.04 2.34 2.30 2r9eA1 GLU 62 HG3 -0.03 -0.01 0.08 -0.04 2.34 2.35 2r9eA1 GLN 63 H -0.05 0.05 -0.21 -0.55 8.47 7.71 2r9eA1 GLN 63 HA -0.02 0.14 0.56 -0.75 4.36 4.28 2r9eA1 GLN 63 HB2 -0.02 0.07 -0.01 -0.04 2.15 2.16 2r9eA1 GLN 63 HB3 -0.02 0.07 0.07 -0.04 2.02 2.10 2r9eA1 GLN 63 HG2 -0.05 -0.20 0.05 -0.04 2.40 2.16 2r9eA1 GLN 63 HG3 -0.02 0.11 0.02 -0.04 2.39 2.46 2r9eA1 GLN 63 HE21 -0.02 0.04 0.03 -0.04 6.97 6.99 2r9eA1 GLN 63 HE22 -0.02 0.06 0.02 -0.04 7.69 7.72 2r9eA1 GLU 64 H -0.10 0.06 -0.13 -0.55 8.60 7.89 2r9eA1 GLU 64 HA -0.03 0.07 0.34 -0.75 4.29 3.91 2r9eA1 GLU 64 HB2 -0.38 0.05 0.11 -0.04 2.09 1.83 2r9eA1 GLU 64 HB3 -0.28 0.06 0.04 -0.04 1.99 1.78 2r9eA1 GLU 64 HG2 -0.03 0.06 0.05 -0.04 2.34 2.38 2r9eA1 GLU 64 HG3 -0.08 -0.11 0.09 -0.04 2.34 2.20 2r9eA1 LEU 65 H -0.16 0.45 -0.37 -0.55 8.37 7.75 2r9eA1 LEU 65 HA -0.06 0.02 0.38 -0.75 4.35 3.94 2r9eA1 LEU 65 HB2 -0.19 0.07 -0.04 -0.04 1.64 1.44 2r9eA1 LEU 65 HB3 -0.07 0.09 0.02 -0.04 1.64 1.64 2r9eA1 LEU 65 HG 0.01 0.02 -0.19 -0.04 1.64 1.45 2r9eA1 LEU 65 HD13 0.04 -0.04 -0.08 -0.04 0.93 0.81 2r9eA1 LEU 65 HD23 -0.05 0.00 -0.04 -0.04 0.89 0.77 2r9eA1 ARG 66 H -0.02 0.41 -0.10 -0.55 8.46 8.20 2r9eA1 ARG 66 HA 0.03 0.02 0.50 -0.75 4.34 4.14 2r9eA1 ARG 66 HB2 -0.00 0.07 0.18 -0.04 1.90 2.11 2r9eA1 ARG 66 HB3 0.00 0.08 0.15 -0.04 1.80 1.99 2r9eA1 ARG 66 HG2 0.01 0.00 -0.10 -0.04 1.67 1.54 2r9eA1 ARG 66 HG3 0.01 -0.02 0.05 -0.04 1.67 1.67 2r9eA1 ARG 66 HD2 0.01 0.00 -0.01 -0.04 3.22 3.18 2r9eA1 ARG 66 HD3 0.00 -0.01 0.02 -0.04 3.22 3.19 2r9eA1 LYS 67 H 0.02 0.40 -0.18 -0.55 8.42 8.11 2r9eA1 LYS 67 HA 0.02 0.06 0.48 -0.75 4.32 4.12 2r9eA1 LYS 67 HB2 0.02 0.01 0.08 -0.04 1.87 1.94 2r9eA1 LYS 67 HB3 0.05 0.07 0.14 -0.04 1.79 2.01 2r9eA1 LYS 67 HG2 0.07 -0.01 -0.26 -0.04 1.46 1.22 2r9eA1 LYS 67 HG3 0.03 -0.01 0.01 -0.04 1.46 1.45 2r9eA1 LYS 67 HD2 0.05 -0.01 -0.02 -0.04 1.69 1.67 2r9eA1 LYS 67 HD3 0.05 0.01 -0.03 -0.04 1.68 1.66 2r9eA1 LYS 67 HE2 0.02 0.00 -0.01 -0.04 2.99 2.96 2r9eA1 LYS 67 HE3 0.02 -0.02 -0.04 -0.04 2.99 2.91 2r9eA1 TYR 68 H 0.18 0.65 0.00 -0.55 8.29 8.58 2r9eA1 TYR 68 HA 0.10 -0.00 0.41 -0.75 4.56 4.32 2r9eA1 TYR 68 HB2 0.30 0.05 0.12 -0.04 3.06 3.49 2r9eA1 TYR 68 HB3 0.10 0.04 0.18 -0.04 2.98 3.26 2r9eA1 TYR 68 HD2 0.17 0.01 -0.07 -0.04 7.15 7.22 2r9eA1 TYR 68 HE2 0.08 -0.03 -0.03 -0.04 6.85 6.83 2r9eA1 LYS 69 H 0.13 0.63 -0.14 -0.55 8.42 8.49 2r9eA1 LYS 69 HA -0.09 -0.06 0.46 -0.75 4.32 3.88 2r9eA1 LYS 69 HB2 0.05 0.18 0.13 -0.04 1.87 2.18 2r9eA1 LYS 69 HB3 0.03 -0.03 0.00 -0.04 1.79 1.76 2r9eA1 LYS 69 HG2 0.13 -0.14 0.05 -0.04 1.46 1.45 2r9eA1 LYS 69 HG3 0.19 0.03 0.07 -0.04 1.46 1.70 2r9eA1 LYS 69 HD2 0.06 0.06 -0.08 -0.04 1.69 1.69 2r9eA1 LYS 69 HD3 0.07 0.04 -0.01 -0.04 1.68 1.74 2r9eA1 LYS 69 HE2 0.10 -0.10 0.04 -0.04 2.99 2.99 2r9eA1 LYS 69 HE3 0.10 -0.09 -0.02 -0.04 2.99 2.94 2r9eA1 GLU 70 H -0.03 0.41 -0.31 -0.55 8.60 8.12 2r9eA1 GLU 70 HA -0.06 0.02 0.51 -0.75 4.29 4.01 2r9eA1 GLU 70 HB2 -0.02 0.12 0.19 -0.04 2.09 2.35 2r9eA1 GLU 70 HB3 -0.02 -0.04 0.03 -0.04 1.99 1.91 2r9eA1 GLU 70 HG2 -0.01 -0.07 0.02 -0.04 2.34 2.24 2r9eA1 GLU 70 HG3 0.00 0.40 0.16 -0.04 2.34 2.86 2r9eA1 THR 71 H -0.09 0.49 -0.01 -0.55 8.28 8.12 2r9eA1 THR 71 HA -0.06 0.02 0.43 -0.75 4.39 4.03 2r9eA1 THR 71 HB -0.17 0.10 0.15 -0.04 4.32 4.35 2r9eA1 THR 71 HG23 -0.01 -0.03 0.02 -0.04 1.22 1.15 2r9eA1 VAL 72 H -0.34 0.51 -0.17 -0.55 8.24 7.70 2r9eA1 VAL 72 HA -0.17 0.13 0.18 -0.75 4.13 3.51 2r9eA1 VAL 72 HB -0.22 0.07 0.14 -0.04 2.12 2.07 2r9eA1 VAL 72 HG13 0.03 -0.03 -0.14 -0.04 0.97 0.79 2r9eA1 VAL 72 HG23 -0.57 0.04 0.02 -0.04 0.95 0.40 2r9eA1 GLN 73 H -0.26 0.44 -0.24 -0.55 8.47 7.87 2r9eA1 GLN 73 HA -1.28 -0.01 0.30 -0.75 4.36 2.61 2r9eA1 GLN 73 HB2 -0.18 0.15 0.14 -0.04 2.15 2.22 2r9eA1 GLN 73 HB3 -0.23 -0.03 0.04 -0.04 2.02 1.76 2r9eA1 GLN 73 HG2 -0.29 -0.08 -0.02 -0.04 2.40 1.97 2r9eA1 GLN 73 HG3 -0.23 0.08 0.09 -0.04 2.39 2.29 2r9eA1 GLN 73 HE21 0.05 0.01 -0.03 -0.04 6.97 6.97 2r9eA1 GLN 73 HE22 0.09 -0.09 -0.02 -0.04 7.69 7.62 2r9eA1 LYS 74 H -0.14 0.41 -0.23 -0.55 8.42 7.90 2r9eA1 LYS 74 HA -0.04 0.01 0.60 -0.75 4.32 4.13 2r9eA1 LYS 74 HB2 -0.04 0.14 0.15 -0.04 1.87 2.08 2r9eA1 LYS 74 HB3 -0.02 -0.06 0.10 -0.04 1.79 1.77 2r9eA1 LYS 74 HG2 -0.03 -0.06 0.06 -0.04 1.46 1.39 2r9eA1 LYS 74 HG3 -0.06 0.26 0.15 -0.04 1.46 1.77 2r9eA1 LYS 74 HD2 -0.02 -0.06 -0.02 -0.04 1.69 1.55 2r9eA1 LYS 74 HD3 -0.02 0.00 0.07 -0.04 1.68 1.69 2r9eA1 LYS 74 HE2 -0.00 0.03 0.03 -0.04 2.99 3.00 2r9eA1 LYS 74 HE3 -0.00 -0.02 0.01 -0.04 2.99 2.93 2r9eA1 GLY 75 H -0.09 0.43 -0.13 -0.55 8.43 8.09 2r9eA1 GLY 75 HA2 0.04 0.03 0.39 -0.51 4.01 3.96 2r9eA1 GLY 75 HA3 0.05 0.06 0.38 -0.51 4.01 4.00 2r9eA1 TYR 76 H -0.03 0.38 -0.57 -0.55 8.29 7.53 2r9eA1 TYR 76 HA 0.02 0.02 0.34 -0.75 4.56 4.18 2r9eA1 TYR 76 HB2 0.01 0.13 0.05 -0.04 3.06 3.22 2r9eA1 TYR 76 HB3 0.01 0.19 0.03 -0.04 2.98 3.17 2r9eA1 TYR 76 HD2 0.03 0.07 -0.25 -0.04 7.15 6.96 2r9eA1 TYR 76 HE2 0.04 -0.06 -0.22 -0.04 6.85 6.57 2r9eA1 LYS 77 H 0.08 0.37 -0.30 -0.55 8.42 8.02 2r9eA1 LYS 77 HA 0.04 0.08 0.81 -0.75 4.32 4.50 2r9eA1 LYS 77 HB2 0.02 0.06 0.17 -0.04 1.87 2.09 2r9eA1 LYS 77 HB3 0.02 -0.07 0.02 -0.04 1.79 1.72 2r9eA1 LYS 77 HG2 0.05 0.03 -0.06 -0.04 1.46 1.44 2r9eA1 LYS 77 HG3 0.06 0.03 -0.03 -0.04 1.46 1.48 2r9eA1 LYS 77 HD2 0.02 -0.01 0.03 -0.04 1.69 1.68 2r9eA1 LYS 77 HD3 0.02 -0.04 -0.00 -0.04 1.68 1.62 2r9eA1 LYS 77 HE2 0.04 0.05 -0.03 -0.04 2.99 3.01 2r9eA1 LYS 77 HE3 0.03 -0.01 -0.01 -0.04 2.99 2.96 2r9eA1 ILE 78 H -0.00 0.24 0.11 -0.55 8.25 8.05 2r9eA1 ILE 78 HA -0.06 0.19 0.84 -0.75 4.18 4.40 2r9eA1 ILE 78 HB -0.10 -0.06 -0.00 -0.04 1.89 1.68 2r9eA1 ILE 78 HG12 0.00 0.13 -0.06 -0.04 1.49 1.52 2r9eA1 ILE 78 HG13 -0.04 -0.06 0.03 -0.04 1.21 1.11 2r9eA1 ILE 78 HG23 0.01 0.05 -0.10 -0.04 0.93 0.85 2r9eA1 ILE 78 HD13 -0.03 -0.01 -0.17 -0.04 0.88 0.62 2r9eA1 PRO 79 HA -0.12 0.13 0.36 -0.51 4.44 4.30 2r9eA1 PRO 79 HB2 -0.72 -0.17 0.04 -0.04 2.28 1.39 2r9eA1 PRO 79 HB3 -0.13 0.10 0.11 -0.04 2.02 2.06 2r9eA1 PRO 79 HG2 -0.92 -0.03 0.05 -0.04 2.03 1.09 2r9eA1 PRO 79 HG3 -0.24 0.11 0.06 -0.04 2.03 1.92 2r9eA1 PRO 79 HD2 -0.24 0.10 0.18 -0.04 3.68 3.69 2r9eA1 PRO 79 HD3 -0.13 0.23 0.16 -0.04 3.65 3.87 2r9eA1 ASP 80 H -0.06 0.18 0.18 -0.55 8.40 8.15 2r9eA1 ASP 80 HA -0.07 0.15 0.46 -0.75 4.63 4.42 2r9eA1 ASP 80 HB2 0.02 -0.01 0.15 -0.04 2.71 2.82 2r9eA1 ASP 80 HB3 0.01 0.04 0.07 -0.04 2.70 2.78 2r9eA1 PHE 81 H -0.08 0.07 -0.19 -0.55 8.34 7.59 2r9eA1 PHE 81 HA -0.02 0.13 0.49 -0.75 4.62 4.46 2r9eA1 PHE 81 HB2 -0.02 0.06 0.04 -0.04 3.15 3.18 2r9eA1 PHE 81 HB3 -0.02 0.01 0.04 -0.04 3.06 3.04 2r9eA1 PHE 81 HD2 -0.02 -0.01 -0.17 -0.04 7.28 7.03 2r9eA1 PHE 81 HE2 -0.04 0.08 -0.08 -0.04 7.38 7.30 2r9eA1 PHE 81 HZ -0.05 0.03 -0.03 -0.04 7.32 7.23 2r9eA1 VAL 82 H -0.71 0.15 -0.37 -0.55 8.24 6.76 2r9eA1 VAL 82 HA -0.10 0.09 0.59 -0.75 4.13 3.95 2r9eA1 VAL 82 HB -0.30 0.15 0.05 -0.04 2.12 1.98 2r9eA1 VAL 82 HG13 -0.08 0.03 -0.12 -0.04 0.97 0.75 2r9eA1 VAL 82 HG23 -0.50 -0.02 -0.05 -0.04 0.95 0.34 2r9eA1 ILE 83 H -0.14 0.43 -0.07 -0.55 8.25 7.92 2r9eA1 ILE 83 HA -0.05 0.07 0.48 -0.75 4.18 3.92 2r9eA1 ILE 83 HB -0.05 0.04 0.10 -0.04 1.89 1.94 2r9eA1 ILE 83 HG12 -0.04 0.04 0.00 -0.04 1.49 1.45 2r9eA1 ILE 83 HG13 -0.07 0.03 -0.03 -0.04 1.21 1.10 2r9eA1 ILE 83 HG23 -0.04 -0.01 -0.08 -0.04 0.93 0.77 2r9eA1 ILE 83 HD13 -0.03 -0.01 -0.06 -0.04 0.88 0.74 2r9eA1 ASN 84 H -0.03 0.54 -0.22 -0.55 8.53 8.27 2r9eA1 ASN 84 HA -0.05 0.01 0.45 -0.75 4.76 4.41 2r9eA1 ASN 84 HB2 0.01 0.04 0.08 -0.04 2.88 2.97 2r9eA1 ASN 84 HB3 0.05 0.02 0.06 -0.04 2.79 2.87 2r9eA1 ASN 84 HD21 0.01 -0.00 -0.06 -0.04 7.03 6.94 2r9eA1 ASN 84 HD22 0.03 0.00 -0.10 -0.04 7.74 7.64 2r9eA1 ALA 85 H 0.00 0.38 -0.39 -0.55 8.40 7.85 2r9eA1 ALA 85 HA 0.01 0.00 0.42 -0.75 4.34 4.02 2r9eA1 ALA 85 HB3 0.03 0.03 0.02 -0.04 1.41 1.45 2r9eA1 ILE 86 H -0.06 0.35 -0.40 -0.55 8.25 7.59 2r9eA1 ILE 86 HA -0.05 0.06 0.66 -0.75 4.18 4.10 2r9eA1 ILE 86 HB -0.09 0.18 0.13 -0.04 1.89 2.07 2r9eA1 ILE 86 HG12 0.00 -0.02 -0.09 -0.04 1.49 1.34 2r9eA1 ILE 86 HG13 -0.02 0.01 -0.02 -0.04 1.21 1.13 2r9eA1 ILE 86 HG23 -0.02 -0.02 -0.19 -0.04 0.93 0.66 2r9eA1 ILE 86 HD13 -0.00 -0.03 -0.03 -0.04 0.88 0.77 2r9eA1 ARG 87 H -0.18 0.33 0.06 -0.55 8.46 8.11 2r9eA1 ARG 87 HA -1.40 0.11 0.12 -0.75 4.34 2.42 2r9eA1 ARG 87 HB2 -0.14 -0.05 0.07 -0.04 1.90 1.74 2r9eA1 ARG 87 HB3 -0.16 -0.01 0.07 -0.04 1.80 1.66 2r9eA1 ARG 87 HG2 -0.17 0.04 0.01 -0.04 1.67 1.52 2r9eA1 ARG 87 HG3 -0.16 0.05 0.05 -0.04 1.67 1.57 2r9eA1 ARG 87 HD2 -0.02 -0.03 -0.00 -0.04 3.22 3.12 2r9eA1 ARG 87 HD3 -0.05 -0.06 -0.05 -0.04 3.22 3.02 2r9eA1 GLN 88 H -0.12 0.42 -0.31 -0.55 8.47 7.90 2r9eA1 GLN 88 HA -0.03 0.09 0.67 -0.75 4.36 4.34 2r9eA1 GLN 88 HB2 -0.01 -0.08 0.10 -0.04 2.15 2.12 2r9eA1 GLN 88 HB3 -0.03 -0.07 0.04 -0.04 2.02 1.92 2r9eA1 GLN 88 HG2 -0.01 -0.07 -0.06 -0.04 2.40 2.21 2r9eA1 GLN 88 HG3 -0.03 0.14 -0.06 -0.04 2.39 2.40 2r9eA1 GLN 88 HE21 -0.00 -0.08 -0.07 -0.04 6.97 6.77 2r9eA1 GLN 88 HE22 -0.00 0.09 -0.07 -0.04 7.69 7.67 2r9eA1 LEU 89 H -0.09 0.42 -0.35 -0.55 8.37 7.81 2r9eA1 LEU 89 HA 0.03 0.03 0.55 -0.75 4.35 4.20 2r9eA1 LEU 89 HB2 0.08 0.17 0.03 -0.04 1.64 1.87 2r9eA1 LEU 89 HB3 0.06 -0.08 0.04 -0.04 1.64 1.61 2r9eA1 LEU 89 HG -0.02 0.15 0.03 -0.04 1.64 1.77 2r9eA1 LEU 89 HD13 0.02 -0.05 0.06 -0.04 0.93 0.91 2r9eA1 LEU 89 HD23 0.01 -0.04 -0.01 -0.04 0.89 0.81 2r9eA1 PRO 90 HA 0.05 0.07 0.56 -0.51 4.44 4.61 2r9eA1 PRO 90 HB2 0.02 -0.09 0.04 -0.04 2.28 2.21 2r9eA1 PRO 90 HB3 0.01 0.02 0.10 -0.04 2.02 2.11 2r9eA1 PRO 90 HG2 0.02 -0.01 0.08 -0.04 2.03 2.07 2r9eA1 PRO 90 HG3 0.02 0.07 0.09 -0.04 2.03 2.17 2r9eA1 PRO 90 HD2 0.03 0.04 0.19 -0.04 3.68 3.90 2r9eA1 PRO 90 HD3 0.03 0.19 0.20 -0.04 3.65 4.02 2r9eA1 ARG 91 H -0.02 0.16 0.18 -0.55 8.46 8.23 2r9eA1 ARG 91 HA -0.34 0.15 0.37 -0.75 4.34 3.76 2r9eA1 ARG 91 HB2 -0.18 0.01 0.18 -0.04 1.90 1.87 2r9eA1 ARG 91 HB3 -0.11 -0.09 0.04 -0.04 1.80 1.59 2r9eA1 ARG 91 HG2 -0.19 0.04 0.10 -0.04 1.67 1.59 2r9eA1 ARG 91 HG3 -0.46 0.14 0.12 -0.04 1.67 1.42 2r9eA1 ARG 91 HD2 -0.11 -0.14 0.04 -0.04 3.22 2.97 2r9eA1 ARG 91 HD3 -0.15 0.06 0.01 -0.04 3.22 3.10 2r9eA1 GLU 92 H -0.03 -0.01 -0.38 -0.55 8.60 7.63 2r9eA1 GLU 92 HA -0.04 0.14 0.55 -0.75 4.29 4.19 2r9eA1 GLU 92 HB2 -0.02 -0.04 0.08 -0.04 2.09 2.07 2r9eA1 GLU 92 HB3 -0.03 0.01 0.05 -0.04 1.99 1.99 2r9eA1 GLU 92 HG2 -0.01 0.02 -0.11 -0.04 2.34 2.20 2r9eA1 GLU 92 HG3 -0.01 -0.01 -0.05 -0.04 2.34 2.23 2r9eA1 SER 93 H -0.01 0.50 -0.44 -0.55 8.46 7.97 2r9eA1 SER 93 HA 0.00 -0.06 0.26 -0.75 4.49 3.93 2r9eA1 SER 93 HB2 0.04 0.12 -0.06 -0.04 3.95 4.01 2r9eA1 SER 93 HB3 0.02 -0.12 0.01 -0.04 3.93 3.80 2r9eA1 ASP 94 H -0.00 0.06 0.13 -0.55 8.40 8.04 2r9eA1 ASP 94 HA -0.01 0.10 0.48 -0.75 4.63 4.44 2r9eA1 ASP 94 HB2 -0.01 0.10 0.13 -0.04 2.71 2.89 2r9eA1 ASP 94 HB3 -0.00 -0.07 0.15 -0.04 2.70 2.74 2r9eA1 ALA 95 H -0.01 0.89 0.33 -0.55 8.40 9.06 2r9eA1 ALA 95 HA 0.02 0.17 0.42 -0.75 4.34 4.19 2r9eA1 ALA 95 HB3 0.00 0.03 -0.03 -0.04 1.41 1.36 2r9eA1 VAL 96 H -0.01 0.11 -0.14 -0.55 8.24 7.64 2r9eA1 VAL 96 HA 0.01 0.09 0.41 -0.75 4.13 3.89 2r9eA1 VAL 96 HB -0.02 -0.00 -0.00 -0.04 2.12 2.06 2r9eA1 VAL 96 HG13 0.00 0.01 -0.12 -0.04 0.97 0.82 2r9eA1 VAL 96 HG23 -0.03 0.02 -0.17 -0.04 0.95 0.73 2r9eA1 ALA 97 H -0.00 0.06 -0.27 -0.55 8.40 7.64 2r9eA1 ALA 97 HA 0.00 0.06 0.53 -0.75 4.34 4.17 2r9eA1 ALA 97 HB3 0.00 0.04 0.07 -0.04 1.41 1.47 2r9eA1 MET 98 H 0.02 0.43 -0.33 -0.55 8.47 8.05 2r9eA1 MET 98 HA 0.02 0.09 0.52 -0.75 4.52 4.40 2r9eA1 MET 98 HB2 0.04 0.06 0.10 -0.04 2.15 2.31 2r9eA1 MET 98 HB3 0.04 -0.01 -0.02 -0.04 2.03 2.00 2r9eA1 MET 98 HG2 0.07 0.05 -0.02 -0.04 2.63 2.69 2r9eA1 MET 98 HG3 0.04 0.03 -0.13 -0.04 2.56 2.47 2r9eA1 MET 98 HE3 0.06 0.07 -0.16 -0.04 2.10 2.03 2r9eA1 GLN 99 H 0.03 0.51 -0.06 -0.55 8.47 8.40 2r9eA1 GLN 99 HA 0.03 0.06 0.55 -0.75 4.36 4.25 2r9eA1 GLN 99 HB2 0.04 0.08 0.16 -0.04 2.15 2.39 2r9eA1 GLN 99 HB3 0.06 -0.06 -0.08 -0.04 2.02 1.91 2r9eA1 GLN 99 HG2 0.04 -0.01 -0.03 -0.04 2.40 2.36 2r9eA1 GLN 99 HG3 0.03 0.11 0.03 -0.04 2.39 2.52 2r9eA1 GLN 99 HE21 -0.04 0.27 0.09 -0.04 6.97 7.25 2r9eA1 GLN 99 HE22 -0.00 0.01 -0.02 -0.04 7.69 7.64 2r9eA1 MET 100 H 0.02 0.57 -0.21 -0.55 8.47 8.31 2r9eA1 MET 100 HA 0.02 -0.04 0.47 -0.75 4.52 4.22 2r9eA1 MET 100 HB2 0.00 0.12 0.14 -0.04 2.15 2.37 2r9eA1 MET 100 HB3 0.00 0.10 0.02 -0.04 2.03 2.10 2r9eA1 MET 100 HG2 -0.02 -0.06 0.02 -0.04 2.63 2.54 2r9eA1 MET 100 HG3 -0.02 -0.03 0.06 -0.04 2.56 2.53 2r9eA1 MET 100 HE3 -0.01 0.00 -0.17 -0.04 2.10 1.88 2r9eA1 ALA 101 H 0.01 0.58 -0.16 -0.55 8.40 8.28 2r9eA1 ALA 101 HA 0.01 -0.03 0.48 -0.75 4.34 4.05 2r9eA1 ALA 101 HB3 0.01 0.05 0.10 -0.04 1.41 1.52 2r9eA1 ALA 102 H 0.02 0.52 -0.24 -0.55 8.40 8.15 2r9eA1 ALA 102 HA 0.01 0.04 0.39 -0.75 4.34 4.02 2r9eA1 ALA 102 HB3 0.01 0.02 0.05 -0.04 1.41 1.44 2r9eA1 VAL 103 H 0.04 0.68 -0.05 -0.55 8.24 8.36 2r9eA1 VAL 103 HA 0.05 0.01 0.58 -0.75 4.13 4.01 2r9eA1 VAL 103 HB 0.06 0.06 0.05 -0.04 2.12 2.25 2r9eA1 VAL 103 HG13 0.13 -0.04 -0.09 -0.04 0.97 0.94 2r9eA1 VAL 103 HG23 0.10 0.05 -0.03 -0.04 0.95 1.03 2r9eA1 ALA 104 H 0.02 0.73 -0.14 -0.55 8.40 8.46 2r9eA1 ALA 104 HA 0.01 -0.06 0.46 -0.75 4.34 4.00 2r9eA1 ALA 104 HB3 0.01 0.03 0.08 -0.04 1.41 1.48 2r9eA1 ALA 105 H 0.03 0.59 -0.17 -0.55 8.40 8.31 2r9eA1 ALA 105 HA 0.07 0.01 0.47 -0.75 4.34 4.13 2r9eA1 ALA 105 HB3 0.14 0.05 0.08 -0.04 1.41 1.65 2r9eA1 MET 106 H -0.01 0.41 -0.24 -0.55 8.47 8.08 2r9eA1 MET 106 HA -0.08 0.01 0.56 -0.75 4.52 4.26 2r9eA1 MET 106 HB2 -0.12 0.18 0.17 -0.04 2.15 2.34 2r9eA1 MET 106 HB3 -0.58 -0.10 -0.01 -0.04 2.03 1.29 2r9eA1 MET 106 HG2 -0.15 -0.05 0.04 -0.04 2.63 2.42 2r9eA1 MET 106 HG3 -0.07 0.18 0.08 -0.04 2.56 2.71 2r9eA1 MET 106 HE3 0.02 0.01 -0.11 -0.04 2.10 1.99 2r9eA1 ALA 107 H -0.03 0.66 -0.05 -0.55 8.40 8.43 2r9eA1 ALA 107 HA -0.03 -0.11 0.37 -0.75 4.34 3.81 2r9eA1 ALA 107 HB3 0.03 0.01 -0.02 -0.04 1.41 1.39 2r9eA1 ALA 108 H -0.01 0.55 -0.30 -0.55 8.40 8.08 2r9eA1 ALA 108 HA -0.02 0.01 0.32 -0.75 4.34 3.91 2r9eA1 ALA 108 HB3 -0.02 0.02 0.06 -0.04 1.41 1.43 2r9eA1 SER 109 H -0.01 0.31 -0.23 -0.55 8.46 7.99 2r9eA1 SER 109 HA -0.03 0.11 0.43 -0.75 4.49 4.25 2r9eA1 SER 109 HB2 0.07 -0.08 0.10 -0.04 3.95 4.00 2r9eA1 SER 109 HB3 0.02 0.03 0.06 -0.04 3.93 3.99 2r9eA1 GLU 110 H -0.10 0.58 -0.11 -0.55 8.60 8.42 2r9eA1 GLU 110 HA -0.02 0.04 0.66 -0.75 4.29 4.21 2r9eA1 GLU 110 HB2 -0.18 0.04 0.19 -0.04 2.09 2.10 2r9eA1 GLU 110 HB3 0.03 -0.14 0.16 -0.04 1.99 2.00 2r9eA1 GLU 110 HG2 -0.36 0.18 0.10 -0.04 2.34 2.21 2r9eA1 GLU 110 HG3 -1.19 -0.10 -0.00 -0.04 2.34 1.01 2r9eA1 THR 111 H 0.01 0.53 -0.04 -0.55 8.28 8.23 2r9eA1 THR 111 HA 0.03 0.13 0.26 -0.75 4.39 4.06 2r9eA1 THR 111 HB 0.01 -0.01 0.09 -0.04 4.32 4.38 2r9eA1 THR 111 HG23 -0.01 0.06 0.05 -0.04 1.22 1.28 2r9eA1 LYS 112 H 0.05 -0.01 -0.33 -0.55 8.42 7.58 2r9eA1 LYS 112 HA 0.02 0.23 0.64 -0.75 4.32 4.46 2r9eA1 LYS 112 HB2 0.03 -0.03 -0.00 -0.04 1.87 1.82 2r9eA1 LYS 112 HB3 0.01 -0.00 0.08 -0.04 1.79 1.83 2r9eA1 LYS 112 HG2 0.01 0.06 -0.10 -0.04 1.46 1.39 2r9eA1 LYS 112 HG3 0.02 -0.03 -0.02 -0.04 1.46 1.39 2r9eA1 LYS 112 HD2 0.01 -0.01 -0.01 -0.04 1.69 1.64 2r9eA1 LYS 112 HD3 0.01 0.00 -0.00 -0.04 1.68 1.64 2r9eA1 LYS 112 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.94 2r9eA1 LYS 112 HE3 0.01 0.02 -0.02 -0.04 2.99 2.95 2r9eA1 PHE 113 H 0.18 0.28 -0.23 -0.55 8.34 8.02 2r9eA1 PHE 113 HA -0.04 -0.05 0.36 -0.75 4.62 4.15 2r9eA1 PHE 113 HB2 0.10 -0.03 0.12 -0.04 3.15 3.30 2r9eA1 PHE 113 HB3 -0.02 0.12 0.10 -0.04 3.06 3.22 2r9eA1 PHE 113 HD2 -0.20 0.08 -0.14 -0.04 7.28 6.97 2r9eA1 PHE 113 HE2 -1.24 0.08 -0.08 -0.04 7.38 6.09 2r9eA1 PHE 113 HZ -2.17 0.04 -0.07 -0.04 7.32 5.08 2r9eA1 LYS 114 H -1.01 0.18 0.20 -0.55 8.42 7.24 2r9eA1 LYS 114 HA -0.35 0.15 0.63 -0.75 4.32 4.00 2r9eA1 LYS 114 HB2 -0.22 -0.05 0.02 -0.04 1.87 1.58 2r9eA1 LYS 114 HB3 -0.14 0.05 -0.07 -0.04 1.79 1.59 2r9eA1 LYS 114 HG2 -0.04 -0.02 0.08 -0.04 1.46 1.45 2r9eA1 LYS 114 HG3 -0.08 0.29 -0.29 -0.04 1.46 1.33 2r9eA1 LYS 114 HD2 -0.06 -0.03 -0.04 -0.04 1.69 1.52 2r9eA1 LYS 114 HD3 -0.03 -0.05 -0.01 -0.04 1.68 1.55 2r9eA1 LYS 114 HE2 -0.00 0.05 -0.00 -0.04 2.99 3.00 2r9eA1 LYS 114 HE3 -0.01 0.02 -0.02 -0.04 2.99 2.93 2r9eA1 TRP 115 H -0.03 0.22 0.10 -0.55 7.97 7.72 2r9eA1 TRP 115 HA -0.15 -0.04 0.49 -0.75 4.62 4.17 2r9eA1 TRP 115 HB2 0.00 0.06 0.15 -0.04 3.23 3.40 2r9eA1 TRP 115 HB3 0.02 0.01 -0.01 -0.04 3.23 3.21 2r9eA1 TRP 115 HD1 0.13 0.09 0.00 -0.04 7.22 7.41 2r9eA1 TRP 115 HE1 0.13 0.53 -0.26 -0.04 10.20 10.56 2r9eA1 TRP 115 HE3 0.15 -0.05 0.01 -0.04 7.59 7.65 2r9eA1 TRP 115 HZ2 -0.04 0.10 -0.21 -0.04 7.44 7.25 2r9eA1 TRP 115 HZ3 0.18 -0.03 -0.09 -0.04 7.13 7.16 2r9eA1 TRP 115 HH2 0.17 -0.05 -0.10 -0.04 7.19 7.17 2r9eA1 ASN 116 H 0.14 0.14 0.17 -0.55 8.53 8.43 2r9eA1 ASN 116 HA 0.06 0.14 0.65 -0.75 4.76 4.86 2r9eA1 ASN 116 HB2 -0.04 0.24 -0.26 -0.04 2.88 2.77 2r9eA1 ASN 116 HB3 -0.05 -0.07 0.08 -0.04 2.79 2.70 2r9eA1 ASN 116 HD21 -0.00 0.03 0.00 -0.04 7.03 7.02 2r9eA1 ASN 116 HD22 -0.03 0.09 -0.02 -0.04 7.74 7.74 2r9eA1 LYS 117 H 0.06 0.29 0.16 -0.55 8.42 8.37 2r9eA1 LYS 117 HA 0.07 0.07 0.46 -0.75 4.32 4.17 2r9eA1 LYS 117 HB2 0.04 0.06 0.09 -0.04 1.87 2.02 2r9eA1 LYS 117 HB3 0.05 0.09 0.16 -0.04 1.79 2.05 2r9eA1 LYS 117 HG2 0.04 -0.09 0.15 -0.04 1.46 1.51 2r9eA1 LYS 117 HG3 0.03 0.02 -0.07 -0.04 1.46 1.40 2r9eA1 LYS 117 HD2 0.03 0.03 0.03 -0.04 1.69 1.74 2r9eA1 LYS 117 HD3 0.03 0.06 0.06 -0.04 1.68 1.79 2r9eA1 LYS 117 HE2 0.03 -0.01 0.00 -0.04 2.99 2.97 2r9eA1 LYS 117 HE3 0.02 0.04 0.02 -0.04 2.99 3.03 2r9eA1 ASP 118 H 0.03 0.04 -0.36 -0.55 8.40 7.56 2r9eA1 ASP 118 HA 0.04 0.13 0.42 -0.75 4.63 4.47 2r9eA1 ASP 118 HB2 0.01 -0.03 0.06 -0.04 2.71 2.71 2r9eA1 ASP 118 HB3 0.02 0.04 -0.04 -0.04 2.70 2.68 2r9eA1 THR 119 H 0.02 0.28 -0.10 -0.55 8.28 7.93 2r9eA1 THR 119 HA 0.03 0.24 1.01 -0.75 4.39 4.92 2r9eA1 THR 119 HB -0.01 -0.04 0.09 -0.04 4.32 4.33 2r9eA1 THR 119 HG23 -0.00 0.01 -0.13 -0.04 1.22 1.05 2r9eA1 ASP 120 H 0.05 0.50 0.13 -0.55 8.40 8.53 2r9eA1 ASP 120 HA 0.08 0.02 0.38 -0.75 4.63 4.35 2r9eA1 ASP 120 HB2 0.11 0.07 0.13 -0.04 2.71 2.98 2r9eA1 ASP 120 HB3 0.21 0.02 0.03 -0.04 2.70 2.92 2r9eA1 ARG 121 H 0.02 0.20 -0.24 -0.55 8.46 7.88 2r9eA1 ARG 121 HA -0.03 0.08 0.34 -0.75 4.34 3.98 2r9eA1 ARG 121 HB2 -0.10 0.03 0.05 -0.04 1.90 1.84 2r9eA1 ARG 121 HB3 -0.36 -0.01 0.01 -0.04 1.80 1.39 2r9eA1 ARG 121 HG2 -0.32 0.07 0.07 -0.04 1.67 1.45 2r9eA1 ARG 121 HG3 -0.10 -0.13 0.01 -0.04 1.67 1.41 2r9eA1 ARG 121 HD2 -0.18 -0.03 0.04 -0.04 3.22 3.01 2r9eA1 ARG 121 HD3 -0.92 -0.01 -0.02 -0.04 3.22 2.23 2r9eA1 ASP 122 H 0.06 0.17 -0.12 -0.55 8.40 7.97 2r9eA1 ASP 122 HA 0.09 0.04 0.61 -0.75 4.63 4.60 2r9eA1 ASP 122 HB2 0.05 0.11 0.14 -0.04 2.71 2.97 2r9eA1 ASP 122 HB3 0.05 0.01 -0.00 -0.04 2.70 2.72 2r9eA1 VAL 123 H 0.06 0.54 -0.07 -0.55 8.24 8.22 2r9eA1 VAL 123 HA 0.08 0.05 0.53 -0.75 4.13 4.04 2r9eA1 VAL 123 HB 0.09 0.12 0.14 -0.04 2.12 2.43 2r9eA1 VAL 123 HG13 0.10 -0.02 -0.09 -0.04 0.97 0.92 2r9eA1 VAL 123 HG23 0.09 0.04 0.01 -0.04 0.95 1.05 2r9eA1 ALA 124 H 0.05 0.60 -0.08 -0.55 8.40 8.42 2r9eA1 ALA 124 HA 0.01 -0.01 0.37 -0.75 4.34 3.95 2r9eA1 ALA 124 HB3 0.04 0.02 0.06 -0.04 1.41 1.49 2r9eA1 ALA 125 H 0.07 0.66 -0.06 -0.55 8.40 8.52 2r9eA1 ALA 125 HA 0.07 -0.02 0.47 -0.75 4.34 4.11 2r9eA1 ALA 125 HB3 -0.01 0.01 0.07 -0.04 1.41 1.43 2r9eA1 GLU 126 H 0.02 0.58 -0.14 -0.55 8.60 8.52 2r9eA1 GLU 126 HA -0.02 0.10 0.53 -0.75 4.29 4.15 2r9eA1 GLU 126 HB2 0.02 0.02 0.12 -0.04 2.09 2.21 2r9eA1 GLU 126 HB3 0.06 0.10 0.15 -0.04 1.99 2.25 2r9eA1 GLU 126 HG2 0.07 -0.02 -0.18 -0.04 2.34 2.17 2r9eA1 GLU 126 HG3 0.02 -0.07 -0.01 -0.04 2.34 2.24 2r9eA1 MET 127 H 0.06 0.50 -0.24 -0.55 8.47 8.24 2r9eA1 MET 127 HA 0.13 0.01 0.46 -0.75 4.52 4.37 2r9eA1 MET 127 HB2 0.09 0.02 0.06 -0.04 2.15 2.28 2r9eA1 MET 127 HB3 0.04 0.13 0.12 -0.04 2.03 2.27 2r9eA1 MET 127 HG2 0.02 -0.05 -0.07 -0.04 2.63 2.49 2r9eA1 MET 127 HG3 0.10 -0.01 -0.18 -0.04 2.56 2.43 2r9eA1 MET 127 HE3 0.14 -0.03 -0.06 -0.04 2.10 2.11 2r9eA1 ILE 128 H 0.06 0.49 -0.15 -0.55 8.25 8.10 2r9eA1 ILE 128 HA 0.09 0.01 0.59 -0.75 4.18 4.11 2r9eA1 ILE 128 HB 0.03 0.19 0.18 -0.04 1.89 2.25 2r9eA1 ILE 128 HG12 -0.01 -0.06 -0.06 -0.04 1.49 1.31 2r9eA1 ILE 128 HG13 0.03 0.18 0.02 -0.04 1.21 1.41 2r9eA1 ILE 128 HG23 -0.11 -0.03 -0.11 -0.04 0.93 0.64 2r9eA1 ILE 128 HD13 0.05 -0.04 -0.03 -0.04 0.88 0.82 2r9eA1 GLY 129 H 0.09 0.43 -0.07 -0.55 8.43 8.34 2r9eA1 GLY 129 HA2 0.49 -0.07 0.50 -0.51 4.01 4.42 2r9eA1 GLY 129 HA3 0.11 0.33 0.32 -0.51 4.01 4.26 2r9eA1 ARG 130 H 0.13 0.47 -0.05 -0.55 8.46 8.45 2r9eA1 ARG 130 HA 0.12 0.33 0.42 -0.75 4.34 4.46 2r9eA1 ARG 130 HB2 0.11 0.02 0.16 -0.04 1.90 2.15 2r9eA1 ARG 130 HB3 0.07 -0.10 0.01 -0.04 1.80 1.74 2r9eA1 ARG 130 HG2 0.06 0.19 0.08 -0.04 1.67 1.96 2r9eA1 ARG 130 HG3 0.08 0.19 0.11 -0.04 1.67 2.00 2r9eA1 ARG 130 HD2 0.14 -0.09 -0.02 -0.04 3.22 3.21 2r9eA1 ARG 130 HD3 0.02 -0.06 0.01 -0.04 3.22 3.15 2r9eA1 MET 131 H 0.13 0.59 -0.18 -0.55 8.47 8.46 2r9eA1 MET 131 HA 0.08 -0.02 0.53 -0.75 4.52 4.35 2r9eA1 MET 131 HB2 0.10 0.07 0.13 -0.04 2.15 2.41 2r9eA1 MET 131 HB3 0.10 0.13 0.12 -0.04 2.03 2.35 2r9eA1 MET 131 HG2 0.02 0.07 0.02 -0.04 2.63 2.69 2r9eA1 MET 131 HG3 0.01 -0.07 -0.02 -0.04 2.56 2.43 2r9eA1 MET 131 HE3 0.08 -0.02 -0.12 -0.04 2.10 2.00 2r9eA1 SER 132 H 0.17 0.43 -0.30 -0.55 8.46 8.22 2r9eA1 SER 132 HA -0.07 -0.03 0.48 -0.75 4.49 4.12 2r9eA1 SER 132 HB2 -0.22 -0.06 0.08 -0.04 3.95 3.71 2r9eA1 SER 132 HB3 0.09 0.24 0.15 -0.04 3.93 4.37 2r9eA1 ALA 133 H 0.10 0.50 -0.11 -0.55 8.40 8.34 2r9eA1 ALA 133 HA -0.01 0.03 0.45 -0.75 4.34 4.06 2r9eA1 ALA 133 HB3 0.05 0.03 0.13 -0.04 1.41 1.58 2r9eA1 ILE 134 H 0.06 0.65 -0.13 -0.55 8.25 8.28 2r9eA1 ILE 134 HA 0.02 0.02 0.40 -0.75 4.18 3.87 2r9eA1 ILE 134 HB 0.05 0.06 0.18 -0.04 1.89 2.13 2r9eA1 ILE 134 HG12 0.01 -0.05 -0.06 -0.04 1.49 1.35 2r9eA1 ILE 134 HG13 0.02 0.08 0.00 -0.04 1.21 1.27 2r9eA1 ILE 134 HG23 0.04 -0.02 -0.12 -0.04 0.93 0.79 2r9eA1 ILE 134 HD13 0.05 -0.03 -0.17 -0.04 0.88 0.69 2r9eA1 THR 135 H 0.06 0.63 -0.15 -0.55 8.28 8.28 2r9eA1 THR 135 HA 0.08 -0.05 0.33 -0.75 4.39 3.99 2r9eA1 THR 135 HB 0.06 0.10 0.12 -0.04 4.32 4.56 2r9eA1 THR 135 HG23 0.03 -0.04 -0.13 -0.04 1.22 1.04 2r9eA1 VAL 136 H 0.20 0.64 -0.08 -0.55 8.24 8.45 2r9eA1 VAL 136 HA 0.02 -0.04 0.46 -0.75 4.13 3.82 2r9eA1 VAL 136 HB 0.01 0.18 0.15 -0.04 2.12 2.42 2r9eA1 VAL 136 HG13 -0.06 -0.01 -0.35 -0.04 0.97 0.51 2r9eA1 VAL 136 HG23 -0.08 0.04 0.02 -0.04 0.95 0.89 2r9eA1 ASN 137 H 0.06 0.44 -0.30 -0.55 8.53 8.18 2r9eA1 ASN 137 HA 0.04 0.04 0.42 -0.75 4.76 4.50 2r9eA1 ASN 137 HB2 0.02 0.17 0.22 -0.04 2.88 3.25 2r9eA1 ASN 137 HB3 0.01 -0.07 0.08 -0.04 2.79 2.76 2r9eA1 ASN 137 HD21 -0.01 0.12 0.09 -0.04 7.03 7.18 2r9eA1 ASN 137 HD22 0.00 0.31 0.14 -0.04 7.74 8.15 2r9eA1 VAL 138 H 0.08 0.53 -0.03 -0.55 8.24 8.27 2r9eA1 VAL 138 HA 0.09 0.05 0.56 -0.75 4.13 4.07 2r9eA1 VAL 138 HB 0.08 0.05 0.15 -0.04 2.12 2.35 2r9eA1 VAL 138 HG13 0.06 -0.01 -0.11 -0.04 0.97 0.87 2r9eA1 VAL 138 HG23 0.05 0.01 -0.10 -0.04 0.95 0.87 2r9eA1 TYR 139 H 0.20 0.61 -0.08 -0.55 8.29 8.47 2r9eA1 TYR 139 HA 0.03 -0.06 0.42 -0.75 4.56 4.20 2r9eA1 TYR 139 HB2 0.06 -0.11 0.09 -0.04 3.06 3.06 2r9eA1 TYR 139 HB3 -0.01 0.19 0.18 -0.04 2.98 3.31 2r9eA1 TYR 139 HD2 0.02 0.04 -0.02 -0.04 7.15 7.15 2r9eA1 TYR 139 HE2 0.11 0.07 -0.05 -0.04 6.85 6.94 2r9eA1 ARG 140 H 0.09 0.62 -0.08 -0.55 8.46 8.53 2r9eA1 ARG 140 HA -0.16 0.03 0.37 -0.75 4.34 3.82 2r9eA1 ARG 140 HB2 0.03 -0.02 0.08 -0.04 1.90 1.95 2r9eA1 ARG 140 HB3 0.01 0.08 -0.28 -0.04 1.80 1.57 2r9eA1 ARG 140 HG2 0.01 -0.04 -0.05 -0.04 1.67 1.55 2r9eA1 ARG 140 HG3 0.08 0.02 0.04 -0.04 1.67 1.77 2r9eA1 ARG 140 HD2 0.01 -0.07 -0.13 -0.04 3.22 2.99 2r9eA1 ARG 140 HD3 0.01 0.04 -0.05 -0.04 3.22 3.17 2r9eA1 HIS 141 H 0.09 0.54 -0.19 -0.55 8.41 8.30 2r9eA1 HIS 141 HA -0.04 0.04 0.45 -0.75 4.63 4.32 2r9eA1 HIS 141 HB2 -0.02 -0.03 0.08 -0.04 3.26 3.25 2r9eA1 HIS 141 HB3 -0.02 0.07 0.14 -0.04 3.20 3.35 2r9eA1 HIS 141 HD2 -0.01 -0.06 -0.17 -0.04 6.97 6.68 2r9eA1 HIS 141 HE1 -0.01 0.02 0.06 -0.04 7.75 7.77 2r9eA1 ILE 142 H -0.08 0.53 -0.16 -0.55 8.25 7.99 2r9eA1 ILE 142 HA -0.24 0.08 0.40 -0.75 4.18 3.67 2r9eA1 ILE 142 HB -0.13 0.09 0.18 -0.04 1.89 1.99 2r9eA1 ILE 142 HG12 -0.07 0.14 0.05 -0.04 1.49 1.57 2r9eA1 ILE 142 HG13 -0.03 0.04 0.05 -0.04 1.21 1.24 2r9eA1 ILE 142 HG23 -0.09 -0.03 -0.12 -0.04 0.93 0.64 2r9eA1 ILE 142 HD13 0.01 -0.07 -0.07 -0.04 0.88 0.71 2r9eA1 MET 143 H -0.28 0.46 -0.24 -0.55 8.47 7.86 2r9eA1 MET 143 HA -0.15 0.02 0.45 -0.75 4.52 4.08 2r9eA1 MET 143 HB2 -0.36 0.10 0.02 -0.04 2.15 1.87 2r9eA1 MET 143 HB3 -0.17 -0.06 0.10 -0.04 2.03 1.86 2r9eA1 MET 143 HG2 -0.82 0.14 0.03 -0.04 2.63 1.94 2r9eA1 MET 143 HG3 -0.72 -0.03 -0.02 -0.04 2.56 1.75 2r9eA1 MET 143 HE3 0.05 -0.01 0.01 -0.04 2.10 2.11 2r9eA1 ASN 144 H -0.15 0.36 -0.59 -0.55 8.53 7.61 2r9eA1 ASN 144 HA -0.06 0.04 0.33 -0.75 4.76 4.30 2r9eA1 ASN 144 HB2 -0.08 -0.01 -0.20 -0.04 2.88 2.55 2r9eA1 ASN 144 HB3 -0.05 0.08 0.07 -0.04 2.79 2.85 2r9eA1 ASN 144 HD21 -0.02 -0.08 0.03 -0.04 7.03 6.92 2r9eA1 ASN 144 HD22 -0.03 -0.01 0.03 -0.04 7.74 7.68 2r9eA1 MET 145 H -0.06 0.72 0.01 -0.55 8.47 8.60 2r9eA1 MET 145 HA -0.01 0.10 0.82 -0.75 4.52 4.67 2r9eA1 MET 145 HB2 -0.03 -0.04 0.00 -0.04 2.15 2.04 2r9eA1 MET 145 HB3 -0.00 0.01 0.07 -0.04 2.03 2.07 2r9eA1 MET 145 HG2 -0.01 -0.04 -0.05 -0.04 2.63 2.48 2r9eA1 MET 145 HG3 -0.07 0.09 -0.39 -0.04 2.56 2.14 2r9eA1 MET 145 HE3 0.08 0.03 -0.04 -0.04 2.10 2.13 2r9eA1 PRO 146 HA 0.01 0.00 0.49 -0.51 4.44 4.43 2r9eA1 PRO 146 HB2 0.00 0.10 -0.06 -0.04 2.28 2.28 2r9eA1 PRO 146 HB3 0.00 -0.05 0.09 -0.04 2.02 2.02 2r9eA1 PRO 146 HG2 0.00 0.00 0.06 -0.04 2.03 2.06 2r9eA1 PRO 146 HG3 0.00 0.01 0.05 -0.04 2.03 2.05 2r9eA1 PRO 146 HD2 0.00 0.12 0.16 -0.04 3.68 3.92 2r9eA1 PRO 146 HD3 -0.00 0.15 0.22 -0.04 3.65 3.97 2r9eA1 ALA 147 H 0.00 0.01 0.12 -0.55 8.40 7.99 2r9eA1 ALA 147 HA 0.00 0.09 0.44 -0.75 4.34 4.12 2r9eA1 ALA 147 HB3 -0.01 -0.01 0.06 -0.04 1.41 1.41 2r9eA1 GLU 148 H -0.01 0.26 0.18 -0.55 8.60 8.49 2r9eA1 GLU 148 HA -0.01 0.03 0.48 -0.75 4.29 4.03 2r9eA1 GLU 148 HB2 -0.01 0.06 0.01 -0.04 2.09 2.11 2r9eA1 GLU 148 HB3 -0.02 0.10 -0.11 -0.04 1.99 1.92 2r9eA1 GLU 148 HG2 -0.06 0.02 -0.18 -0.04 2.34 2.08 2r9eA1 GLU 148 HG3 -0.04 0.05 -0.11 -0.04 2.34 2.19 2r9eA1 LEU 149 H -0.03 0.16 0.13 -0.55 8.37 8.09 2r9eA1 LEU 149 HA -0.04 0.22 1.00 -0.75 4.35 4.77 2r9eA1 LEU 149 HB2 -0.01 -0.10 0.08 -0.04 1.64 1.57 2r9eA1 LEU 149 HB3 0.00 0.27 0.12 -0.04 1.64 1.99 2r9eA1 LEU 149 HG -0.01 -0.14 -0.27 -0.04 1.64 1.18 2r9eA1 LEU 149 HD13 0.00 -0.02 0.03 -0.04 0.93 0.91 2r9eA1 LEU 149 HD23 -0.00 0.11 0.11 -0.04 0.89 1.07 2r9eA1 PRO 150 HA -0.20 0.08 0.57 -0.51 4.44 4.38 2r9eA1 PRO 150 HB2 -1.18 -0.03 -0.17 -0.04 2.28 0.86 2r9eA1 PRO 150 HB3 -0.42 0.06 -0.10 -0.04 2.02 1.52 2r9eA1 PRO 150 HG2 -0.64 0.02 0.02 -0.04 2.03 1.39 2r9eA1 PRO 150 HG3 -0.33 -0.03 -0.19 -0.04 2.03 1.44 2r9eA1 PRO 150 HD2 -0.08 0.19 0.30 -0.04 3.68 4.05 2r9eA1 PRO 150 HD3 -0.11 0.17 0.12 -0.04 3.65 3.78 2r9eA1 LYS 151 H -0.12 0.16 0.18 -0.55 8.42 8.09 2r9eA1 LYS 151 HA 0.13 0.21 0.80 -0.75 4.32 4.71 2r9eA1 LYS 151 HB2 0.02 -0.03 -0.01 -0.04 1.87 1.81 2r9eA1 LYS 151 HB3 0.05 0.02 0.07 -0.04 1.79 1.88 2r9eA1 LYS 151 HG2 0.02 0.05 -0.13 -0.04 1.46 1.36 2r9eA1 LYS 151 HG3 -0.02 0.05 -0.15 -0.04 1.46 1.30 2r9eA1 LYS 151 HD2 0.00 -0.04 -0.03 -0.04 1.69 1.58 2r9eA1 LYS 151 HD3 0.02 -0.03 -0.02 -0.04 1.68 1.61 2r9eA1 LYS 151 HE2 0.00 -0.05 -0.03 -0.04 2.99 2.88 2r9eA1 LYS 151 HE3 0.00 0.02 -0.03 -0.04 2.99 2.93 2r9eA1 PRO 152 HA 0.25 -0.02 0.46 -0.51 4.44 4.61 2r9eA1 PRO 152 HB2 0.07 0.01 -0.04 -0.04 2.28 2.29 2r9eA1 PRO 152 HB3 0.08 0.02 0.09 -0.04 2.02 2.17 2r9eA1 PRO 152 HG2 0.07 0.02 0.07 -0.04 2.03 2.15 2r9eA1 PRO 152 HG3 0.06 0.05 0.06 -0.04 2.03 2.17 2r9eA1 PRO 152 HD2 0.12 0.12 0.22 -0.04 3.68 4.10 2r9eA1 PRO 152 HD3 0.23 0.18 0.11 -0.04 3.65 4.12 2r9eA1 SER 153 H 0.13 0.26 0.20 -0.55 8.46 8.50 2r9eA1 SER 153 HA 0.05 0.16 0.46 -0.75 4.49 4.41 2r9eA1 SER 153 HB2 0.05 -0.07 0.15 -0.04 3.95 4.03 2r9eA1 SER 153 HB3 0.05 0.25 -0.15 -0.04 3.93 4.04 2r9eA1 ASP 154 H 0.05 0.18 0.13 -0.55 8.40 8.21 2r9eA1 ASP 154 HA 0.06 0.14 0.47 -0.75 4.63 4.54 2r9eA1 ASP 154 HB2 0.05 -0.04 0.09 -0.04 2.71 2.77 2r9eA1 ASP 154 HB3 0.04 0.02 0.09 -0.04 2.70 2.82 2r9eA1 SER 155 H 0.09 0.13 -0.24 -0.55 8.46 7.89 2r9eA1 SER 155 HA 0.14 0.21 0.80 -0.75 4.49 4.88 2r9eA1 SER 155 HB2 0.13 -0.05 0.15 -0.04 3.95 4.13 2r9eA1 SER 155 HB3 0.09 0.16 -0.24 -0.04 3.93 3.89 2r9eA1 TYR 156 H 0.29 0.16 0.14 -0.55 8.29 8.32 2r9eA1 TYR 156 HA 0.21 0.20 0.55 -0.75 4.56 4.77 2r9eA1 TYR 156 HB2 0.14 0.05 0.12 -0.04 3.06 3.34 2r9eA1 TYR 156 HB3 0.12 -0.14 0.14 -0.04 2.98 3.06 2r9eA1 TYR 156 HD2 0.14 -0.04 -0.13 -0.04 7.15 7.08 2r9eA1 TYR 156 HE2 0.07 0.07 -0.17 -0.04 6.85 6.78 2r9eA1 ALA 157 H 0.26 0.04 -0.07 -0.55 8.40 8.08 2r9eA1 ALA 157 HA 0.18 0.16 0.33 -0.75 4.34 4.26 2r9eA1 ALA 157 HB3 0.17 0.02 0.02 -0.04 1.41 1.58 2r9eA1 GLU 158 H 0.11 -0.01 -0.31 -0.55 8.60 7.85 2r9eA1 GLU 158 HA 0.07 0.07 0.44 -0.75 4.29 4.12 2r9eA1 GLU 158 HB2 0.07 -0.03 0.06 -0.04 2.09 2.15 2r9eA1 GLU 158 HB3 0.07 -0.04 0.09 -0.04 1.99 2.07 2r9eA1 GLU 158 HG2 0.03 0.09 -0.18 -0.04 2.34 2.23 2r9eA1 GLU 158 HG3 0.04 0.01 0.06 -0.04 2.34 2.40 2r9eA1 SER 159 H 0.05 0.54 -0.12 -0.55 8.46 8.38 2r9eA1 SER 159 HA -0.05 0.06 0.41 -0.75 4.49 4.17 2r9eA1 SER 159 HB2 -0.04 0.01 0.17 -0.04 3.95 4.05 2r9eA1 SER 159 HB3 -0.28 -0.00 -0.03 -0.04 3.93 3.57 2r9eA1 PHE 160 H 0.00 0.38 -0.31 -0.55 8.34 7.86 2r9eA1 PHE 160 HA -0.25 0.09 0.33 -0.75 4.62 4.04 2r9eA1 PHE 160 HB2 -0.35 -0.00 0.05 -0.04 3.15 2.80 2r9eA1 PHE 160 HB3 -0.13 0.01 0.14 -0.04 3.06 3.04 2r9eA1 PHE 160 HD2 -0.08 0.01 -0.03 -0.04 7.28 7.15 2r9eA1 PHE 160 HE2 -0.10 -0.02 -0.14 -0.04 7.38 7.07 2r9eA1 PHE 160 HZ -0.26 0.02 -0.15 -0.04 7.32 6.89 2r9eA1 LEU 161 H 0.04 0.51 0.01 -0.55 8.37 8.38 2r9eA1 LEU 161 HA -0.42 0.05 0.34 -0.75 4.35 3.57 2r9eA1 LEU 161 HB2 0.06 -0.03 0.15 -0.04 1.64 1.78 2r9eA1 LEU 161 HB3 0.12 0.02 -0.00 -0.04 1.64 1.73 2r9eA1 LEU 161 HG 0.25 0.11 0.05 -0.04 1.64 2.01 2r9eA1 LEU 161 HD13 0.17 -0.01 -0.18 -0.04 0.93 0.87 2r9eA1 LEU 161 HD23 0.36 0.01 -0.05 -0.04 0.89 1.16 2r9eA1 ASN 162 H -0.06 0.55 -0.12 -0.55 8.53 8.35 2r9eA1 ASN 162 HA -0.01 0.27 0.40 -0.75 4.76 4.67 2r9eA1 ASN 162 HB2 -0.05 0.12 0.13 -0.04 2.88 3.04 2r9eA1 ASN 162 HB3 -0.03 -0.01 -0.03 -0.04 2.79 2.67 2r9eA1 ASN 162 HD21 0.01 -0.12 0.01 -0.04 7.03 6.90 2r9eA1 ASN 162 HD22 -0.00 0.06 -0.04 -0.04 7.74 7.72 2r9eA1 ALA 163 H -0.18 0.34 -0.30 -0.55 8.40 7.71 2r9eA1 ALA 163 HA -0.09 0.04 0.29 -0.75 4.34 3.83 2r9eA1 ALA 163 HB3 -0.17 -0.00 -0.09 -0.04 1.41 1.11 2r9eA1 ALA 164 H -0.49 0.56 -0.03 -0.55 8.40 7.89 2r9eA1 ALA 164 HA -0.21 0.05 0.38 -0.75 4.34 3.80 2r9eA1 ALA 164 HB3 -0.98 -0.04 0.06 -0.04 1.41 0.40 2r9eA1 PHE 165 H -0.25 0.53 -0.12 -0.55 8.34 7.95 2r9eA1 PHE 165 HA 0.01 0.18 0.61 -0.75 4.62 4.66 2r9eA1 PHE 165 HB2 -0.14 0.03 -0.01 -0.04 3.15 2.99 2r9eA1 PHE 165 HB3 -0.09 -0.04 -0.01 -0.04 3.06 2.88 2r9eA1 PHE 165 HD2 -0.16 0.02 -0.05 -0.04 7.28 7.04 2r9eA1 PHE 165 HE2 -0.52 -0.00 -0.15 -0.04 7.38 6.67 2r9eA1 PHE 165 HZ -1.96 -0.14 -0.46 -0.04 7.32 4.73 2r9eA1 GLY 166 H -0.00 0.36 -0.19 -0.55 8.43 8.05 2r9eA1 GLY 166 HA2 0.00 0.01 0.30 -0.51 4.01 3.81 2r9eA1 GLY 166 HA3 0.03 0.05 0.44 -0.51 4.01 4.03 2r9eA1 ARG 167 H 0.04 0.38 0.06 -0.55 8.46 8.39 2r9eA1 ARG 167 HA 0.01 0.04 0.51 -0.75 4.34 4.15 2r9eA1 ARG 167 HB2 -0.01 -0.08 0.09 -0.04 1.90 1.86 2r9eA1 ARG 167 HB3 0.01 0.18 -0.40 -0.04 1.80 1.55 2r9eA1 ARG 167 HG2 0.02 -0.06 -0.32 -0.04 1.67 1.27 2r9eA1 ARG 167 HG3 -0.02 0.11 -0.41 -0.04 1.67 1.31 2r9eA1 ARG 167 HD2 -0.07 -0.05 -0.07 -0.04 3.22 2.99 2r9eA1 ARG 167 HD3 -0.05 0.06 -0.10 -0.04 3.22 3.09 2r9eA1 LYS 168 H -0.00 0.13 0.09 -0.55 8.42 8.09 2r9eA1 LYS 168 HA 0.01 0.00 0.58 -0.75 4.32 4.15 2r9eA1 LYS 168 HB2 0.00 0.01 0.10 -0.04 1.87 1.94 2r9eA1 LYS 168 HB3 -0.00 -0.01 0.13 -0.04 1.79 1.87 2r9eA1 LYS 168 HG2 0.00 -0.04 -0.01 -0.04 1.46 1.37 2r9eA1 LYS 168 HG3 0.00 0.18 -0.20 -0.04 1.46 1.40 2r9eA1 LYS 168 HD2 0.01 0.01 0.04 -0.04 1.69 1.70 2r9eA1 LYS 168 HD3 0.01 -0.04 0.01 -0.04 1.68 1.62 2r9eA1 LYS 168 HE2 0.01 -0.17 0.17 -0.04 2.99 2.96 2r9eA1 LYS 168 HE3 0.02 -0.08 0.04 -0.04 2.99 2.93 2r9eA1 ALA 169 H 0.02 0.06 0.19 -0.55 8.40 8.12 2r9eA1 ALA 169 HA 0.00 0.15 0.50 -0.75 4.34 4.24 2r9eA1 ALA 169 HB3 0.06 -0.02 0.04 -0.04 1.41 1.45 2r9eA1 THR 170 H -0.01 0.17 0.17 -0.55 8.28 8.06 2r9eA1 THR 170 HA 0.00 0.21 0.71 -0.75 4.39 4.56 2r9eA1 THR 170 HB -0.01 -0.06 0.15 -0.04 4.32 4.37 2r9eA1 THR 170 HG23 -0.02 0.07 0.08 -0.04 1.22 1.30 2r9eA1 LYS 171 H 0.01 0.23 0.16 -0.55 8.42 8.26 2r9eA1 LYS 171 HA 0.02 0.07 0.34 -0.75 4.32 4.00 2r9eA1 LYS 171 HB2 0.01 0.07 0.13 -0.04 1.87 2.04 2r9eA1 LYS 171 HB3 0.00 0.01 0.11 -0.04 1.79 1.87 2r9eA1 LYS 171 HG2 0.01 -0.00 -0.14 -0.04 1.46 1.29 2r9eA1 LYS 171 HG3 0.02 -0.02 0.04 -0.04 1.46 1.46 2r9eA1 LYS 171 HD2 0.01 0.02 0.01 -0.04 1.69 1.68 2r9eA1 LYS 171 HD3 0.00 0.01 0.01 -0.04 1.68 1.66 2r9eA1 LYS 171 HE2 0.00 -0.02 -0.06 -0.04 2.99 2.88 2r9eA1 LYS 171 HE3 0.00 0.02 -0.02 -0.04 2.99 2.95 2r9eA1 GLU 172 H 0.00 0.11 -0.13 -0.55 8.60 8.04 2r9eA1 GLU 172 HA 0.01 0.10 0.48 -0.75 4.29 4.12 2r9eA1 GLU 172 HB2 -0.01 0.03 0.08 -0.04 2.09 2.15 2r9eA1 GLU 172 HB3 -0.00 -0.02 0.05 -0.04 1.99 1.97 2r9eA1 GLU 172 HG2 -0.00 0.02 -0.20 -0.04 2.34 2.12 2r9eA1 GLU 172 HG3 -0.01 0.00 -0.00 -0.04 2.34 2.29 2r9eA1 GLU 173 H 0.02 0.09 -0.24 -0.55 8.60 7.92 2r9eA1 GLU 173 HA 0.06 0.11 0.41 -0.75 4.29 4.12 2r9eA1 GLU 173 HB2 0.03 0.02 0.17 -0.04 2.09 2.27 2r9eA1 GLU 173 HB3 0.07 0.05 0.03 -0.04 1.99 2.11 2r9eA1 GLU 173 HG2 -0.00 0.15 0.11 -0.04 2.34 2.56 2r9eA1 GLU 173 HG3 -0.01 -0.09 0.05 -0.04 2.34 2.25 2r9eA1 ILE 174 H 0.05 0.59 -0.14 -0.55 8.25 8.21 2r9eA1 ILE 174 HA 0.11 0.01 0.24 -0.75 4.18 3.78 2r9eA1 ILE 174 HB 0.05 0.13 0.08 -0.04 1.89 2.10 2r9eA1 ILE 174 HG12 0.07 -0.09 -0.08 -0.04 1.49 1.36 2r9eA1 ILE 174 HG13 0.06 0.14 -0.10 -0.04 1.21 1.26 2r9eA1 ILE 174 HG23 0.07 -0.04 -0.16 -0.04 0.93 0.76 2r9eA1 ILE 174 HD13 0.04 -0.01 -0.16 -0.04 0.88 0.70 2r9eA1 ASP 175 H 0.04 0.54 -0.27 -0.55 8.40 8.17 2r9eA1 ASP 175 HA 0.04 -0.02 0.40 -0.75 4.63 4.29 2r9eA1 ASP 175 HB2 0.02 0.01 0.10 -0.04 2.71 2.80 2r9eA1 ASP 175 HB3 0.02 0.10 0.15 -0.04 2.70 2.93 2r9eA1 ALA 176 H 0.05 0.54 -0.16 -0.55 8.40 8.28 2r9eA1 ALA 176 HA 0.03 -0.00 0.49 -0.75 4.34 4.10 2r9eA1 ALA 176 HB3 0.07 0.05 0.09 -0.04 1.41 1.58 2r9eA1 MET 177 H 0.14 0.67 -0.09 -0.55 8.47 8.65 2r9eA1 MET 177 HA 0.25 0.02 0.37 -0.75 4.52 4.41 2r9eA1 MET 177 HB2 0.27 0.11 0.07 -0.04 2.15 2.56 2r9eA1 MET 177 HB3 0.20 -0.00 0.08 -0.04 2.03 2.27 2r9eA1 MET 177 HG2 0.38 0.05 -0.02 -0.04 2.63 3.01 2r9eA1 MET 177 HG3 0.23 -0.09 -0.12 -0.04 2.56 2.54 2r9eA1 MET 177 HE3 0.03 -0.02 -0.07 -0.04 2.10 2.01 2r9eA1 ASN 178 H 0.11 0.72 -0.09 -0.55 8.53 8.73 2r9eA1 ASN 178 HA 0.12 -0.10 0.49 -0.75 4.76 4.51 2r9eA1 ASN 178 HB2 0.09 -0.01 0.16 -0.04 2.88 3.08 2r9eA1 ASN 178 HB3 0.06 0.22 0.17 -0.04 2.79 3.19 2r9eA1 ASN 178 HD21 0.03 0.25 0.11 -0.04 7.03 7.38 2r9eA1 ASN 178 HD22 0.03 0.12 -0.09 -0.04 7.74 7.75 2r9eA1 THR 179 H 0.03 0.55 -0.24 -0.55 8.28 8.08 2r9eA1 THR 179 HA -0.04 0.01 0.41 -0.75 4.39 4.01 2r9eA1 THR 179 HB -0.08 0.12 0.15 -0.04 4.32 4.47 2r9eA1 THR 179 HG23 -0.22 -0.03 -0.08 -0.04 1.22 0.85 2r9eA1 ALA 180 H 0.05 0.67 -0.05 -0.55 8.40 8.53 2r9eA1 ALA 180 HA -0.05 -0.05 0.37 -0.75 4.34 3.85 2r9eA1 ALA 180 HB3 0.30 0.02 0.05 -0.04 1.41 1.74 2r9eA1 LEU 181 H 0.12 0.60 -0.24 -0.55 8.37 8.30 2r9eA1 LEU 181 HA 0.11 0.04 0.45 -0.75 4.35 4.20 2r9eA1 LEU 181 HB2 0.10 0.09 0.16 -0.04 1.64 1.95 2r9eA1 LEU 181 HB3 0.06 -0.06 -0.02 -0.04 1.64 1.58 2r9eA1 LEU 181 HG 0.14 0.14 -0.01 -0.04 1.64 1.87 2r9eA1 LEU 181 HD13 0.26 -0.04 -0.11 -0.04 0.93 0.99 2r9eA1 LEU 181 HD23 0.06 0.01 -0.11 -0.04 0.89 0.80 2r9eA1 ILE 182 H 0.03 0.49 -0.08 -0.55 8.25 8.14 2r9eA1 ILE 182 HA 0.07 0.02 0.51 -0.75 4.18 4.03 2r9eA1 ILE 182 HB -0.00 0.12 0.15 -0.04 1.89 2.12 2r9eA1 ILE 182 HG12 0.06 -0.08 -0.05 -0.04 1.49 1.39 2r9eA1 ILE 182 HG13 0.04 0.05 0.04 -0.04 1.21 1.29 2r9eA1 ILE 182 HG23 0.13 -0.03 -0.13 -0.04 0.93 0.86 2r9eA1 ILE 182 HD13 0.02 -0.01 -0.28 -0.04 0.88 0.57 2r9eA1 LEU 183 H -0.09 0.62 -0.09 -0.55 8.37 8.26 2r9eA1 LEU 183 HA -0.07 -0.04 0.24 -0.75 4.35 3.73 2r9eA1 LEU 183 HB2 -0.53 0.11 0.10 -0.04 1.64 1.27 2r9eA1 LEU 183 HB3 -0.47 -0.11 0.03 -0.04 1.64 1.04 2r9eA1 LEU 183 HG -0.40 0.18 0.01 -0.04 1.64 1.39 2r9eA1 LEU 183 HD13 -1.32 -0.01 -0.06 -0.04 0.93 -0.50 2r9eA1 LEU 183 HD23 -0.26 -0.04 -0.00 -0.04 0.89 0.54 2r9eA1 TYR 184 H 0.10 0.43 -0.38 -0.55 8.29 7.89 2r9eA1 TYR 184 HA -0.07 0.05 0.63 -0.75 4.56 4.42 2r9eA1 TYR 184 HB2 -0.03 0.27 0.10 -0.04 3.06 3.36 2r9eA1 TYR 184 HB3 -0.15 -0.01 0.09 -0.04 2.98 2.87 2r9eA1 TYR 184 HD2 -0.26 0.08 -0.03 -0.04 7.15 6.89 2r9eA1 TYR 184 HE2 -0.38 -0.05 -0.08 -0.04 6.85 6.29 2r9eA1 THR 185 H 0.09 0.43 -0.41 -0.55 8.28 7.84 2r9eA1 THR 185 HA -0.20 0.13 0.14 -0.75 4.39 3.71 2r9eA1 THR 185 HB -0.45 0.01 0.10 -0.04 4.32 3.94 2r9eA1 THR 185 HG23 -0.96 -0.04 -0.16 -0.04 1.22 0.03 2r9eA1 ASP 186 H 0.07 0.28 -0.17 -0.55 8.40 8.03 2r9eA1 ASP 186 HA 0.01 0.11 0.60 -0.75 4.63 4.60 2r9eA1 ASP 186 HB2 -0.71 0.07 -0.32 -0.04 2.71 1.71 2r9eA1 ASP 186 HB3 -0.03 -0.00 -0.13 -0.04 2.70 2.50 2r9eA1 HIS 187 H 0.26 0.21 -0.01 -0.55 8.41 8.32 2r9eA1 HIS 187 HA 0.28 0.13 0.46 -0.75 4.63 4.75 2r9eA1 HIS 187 HB2 0.29 0.06 -0.37 -0.04 3.26 3.21 2r9eA1 HIS 187 HB3 0.26 -0.05 0.06 -0.04 3.20 3.43 2r9eA1 HIS 187 HD2 0.26 0.14 0.09 -0.04 6.97 7.42 2r9eA1 HIS 187 HE1 -0.27 -0.06 0.02 -0.04 7.75 7.40 2r9eA1 GLU 188 H 0.27 0.11 -0.04 -0.55 8.60 8.39 2r9eA1 GLU 188 HA 0.17 0.05 0.28 -0.75 4.29 4.03 2r9eA1 GLU 188 HB2 -0.01 -0.07 -0.40 -0.04 2.09 1.57 2r9eA1 GLU 188 HB3 -0.03 0.08 0.21 -0.04 1.99 2.21 2r9eA1 GLU 188 HG2 0.06 0.04 -0.00 -0.04 2.34 2.40 2r9eA1 GLU 188 HG3 0.09 0.12 -0.00 -0.04 2.34 2.50 2r9eA1 VAL 189 H -0.02 0.15 0.10 -0.55 8.24 7.92 2r9eA1 VAL 189 HA -0.10 0.18 0.95 -0.75 4.13 4.41 2r9eA1 VAL 189 HB -0.06 0.03 0.07 -0.04 2.12 2.12 2r9eA1 VAL 189 HG13 -0.12 -0.01 -0.23 -0.04 0.97 0.57 2r9eA1 VAL 189 HG23 -0.02 -0.01 0.09 -0.04 0.95 0.96 2r9eA1 PRO 190 HA -0.04 0.18 0.55 -0.51 4.44 4.61 2r9eA1 PRO 190 HB2 -0.05 -0.10 0.11 -0.04 2.28 2.20 2r9eA1 PRO 190 HB3 0.17 0.10 0.10 -0.04 2.02 2.35 2r9eA1 PRO 190 HG2 0.30 -0.24 -0.08 -0.04 2.03 1.97 2r9eA1 PRO 190 HG3 0.35 0.07 -0.07 -0.04 2.03 2.34 2r9eA1 PRO 190 HD2 0.08 0.29 -0.37 -0.04 3.68 3.63 2r9eA1 PRO 190 HD3 0.15 0.40 -0.47 -0.04 3.65 3.69 2r9eA1 ALA 191 H -0.38 0.15 0.12 -0.55 8.40 7.74 2r9eA1 ALA 191 HA -0.07 0.18 0.32 -0.75 4.34 4.01 2r9eA1 ALA 191 HB3 -0.13 0.03 0.07 -0.04 1.41 1.33 2r9eA1 SER 192 H 0.29 0.04 -0.18 -0.55 8.46 8.06 2r9eA1 SER 192 HA -0.01 0.13 0.40 -0.75 4.49 4.25 2r9eA1 SER 192 HB2 0.08 0.05 -0.02 -0.04 3.95 4.02 2r9eA1 SER 192 HB3 0.22 -0.01 0.06 -0.04 3.93 4.15 2r9eA1 THR 193 H 0.27 0.05 -0.29 -0.55 8.28 7.75 2r9eA1 THR 193 HA 0.07 0.04 0.26 -0.75 4.39 4.00 2r9eA1 THR 193 HB 0.05 0.05 0.01 -0.04 4.32 4.38 2r9eA1 THR 193 HG23 -0.07 0.05 -0.04 -0.04 1.22 1.13 2r9eA1 THR 194 H 0.00 0.49 -0.36 -0.55 8.28 7.86 2r9eA1 THR 194 HA -0.07 0.03 0.38 -0.75 4.39 3.98 2r9eA1 THR 194 HB -0.05 0.04 0.06 -0.04 4.32 4.33 2r9eA1 THR 194 HG23 -0.07 -0.00 -0.12 -0.04 1.22 0.99 2r9eA1 ALA 195 H -0.08 0.56 -0.13 -0.55 8.40 8.21 2r9eA1 ALA 195 HA -0.11 0.04 0.39 -0.75 4.34 3.91 2r9eA1 ALA 195 HB3 -0.12 0.00 -0.02 -0.04 1.41 1.24 2r9eA1 GLY 196 H -0.17 0.50 -0.15 -0.55 8.43 8.07 2r9eA1 GLY 196 HA2 -0.36 0.03 0.56 -0.51 4.01 3.73 2r9eA1 GLY 196 HA3 -0.16 0.05 0.27 -0.51 4.01 3.67 2r9eA1 LEU 197 H -0.06 0.55 -0.16 -0.55 8.37 8.16 2r9eA1 LEU 197 HA -0.30 -0.02 0.41 -0.75 4.35 3.68 2r9eA1 LEU 197 HB2 -0.17 0.08 0.16 -0.04 1.64 1.68 2r9eA1 LEU 197 HB3 -0.45 0.02 -0.04 -0.04 1.64 1.12 2r9eA1 LEU 197 HG 0.17 0.05 -0.05 -0.04 1.64 1.77 2r9eA1 LEU 197 HD13 -0.10 -0.02 -0.14 -0.04 0.93 0.62 2r9eA1 LEU 197 HD23 -0.11 0.00 -0.11 -0.04 0.89 0.64 2r9eA1 VAL 198 H -0.19 0.55 -0.15 -0.55 8.24 7.90 2r9eA1 VAL 198 HA -0.17 0.02 0.45 -0.75 4.13 3.68 2r9eA1 VAL 198 HB -0.13 0.12 0.18 -0.04 2.12 2.25 2r9eA1 VAL 198 HG13 -0.08 -0.00 -0.08 -0.04 0.97 0.77 2r9eA1 VAL 198 HG23 -0.11 0.06 0.05 -0.04 0.95 0.91 2r9eA1 ALA 199 H -0.21 0.46 -0.15 -0.55 8.40 7.95 2r9eA1 ALA 199 HA -0.10 0.02 0.41 -0.75 4.34 3.91 2r9eA1 ALA 199 HB3 -0.18 0.00 0.04 -0.04 1.41 1.22 2r9eA1 VAL 200 H -0.33 0.58 -0.11 -0.55 8.24 7.83 2r9eA1 VAL 200 HA -0.03 0.08 0.19 -0.75 4.13 3.62 2r9eA1 VAL 200 HB -0.30 -0.03 0.08 -0.04 2.12 1.82 2r9eA1 VAL 200 HG13 -0.04 0.01 -0.07 -0.04 0.97 0.83 2r9eA1 VAL 200 HG23 -0.28 0.02 0.01 -0.04 0.95 0.67 2r9eA1 SER 201 H -0.18 0.49 -0.31 -0.55 8.46 7.92 2r9eA1 SER 201 HA 0.05 0.02 0.44 -0.75 4.49 4.26 2r9eA1 SER 201 HB2 0.09 0.23 0.20 -0.04 3.95 4.43 2r9eA1 SER 201 HB3 -0.20 0.13 0.18 -0.04 3.93 4.00 2r9eA1 THR 202 H -0.04 0.39 -0.35 -0.55 8.28 7.73 2r9eA1 THR 202 HA -0.00 0.10 0.70 -0.75 4.39 4.44 2r9eA1 THR 202 HB 0.00 -0.04 0.14 -0.04 4.32 4.39 2r9eA1 THR 202 HG23 -0.03 0.03 0.06 -0.04 1.22 1.24 2r9eA1 LEU 203 H -0.01 0.45 -0.49 -0.55 8.37 7.77 2r9eA1 LEU 203 HA 0.04 0.12 0.30 -0.75 4.35 4.05 2r9eA1 LEU 203 HB2 0.09 0.15 0.16 -0.04 1.64 1.99 2r9eA1 LEU 203 HB3 0.19 -0.10 0.19 -0.04 1.64 1.88 2r9eA1 LEU 203 HG -0.02 0.05 -0.31 -0.04 1.64 1.32 2r9eA1 LEU 203 HD13 0.02 -0.02 -0.02 -0.04 0.93 0.87 2r9eA1 LEU 203 HD23 -0.18 0.03 0.03 -0.04 0.89 0.72 2r9eA1 SER 204 H 0.10 0.12 -0.23 -0.55 8.46 7.90 2r9eA1 SER 204 HA 0.14 0.07 0.53 -0.75 4.49 4.48 2r9eA1 SER 204 HB2 0.03 0.08 0.04 -0.04 3.95 4.06 2r9eA1 SER 204 HB3 0.03 -0.01 -0.19 -0.04 3.93 3.72 2r9eA1 ASP 205 H 0.06 0.09 0.10 -0.55 8.40 8.11 2r9eA1 ASP 205 HA -0.23 0.15 0.28 -0.75 4.63 4.08 2r9eA1 ASP 205 HB2 -0.62 -0.08 0.12 -0.04 2.71 2.09 2r9eA1 ASP 205 HB3 0.02 0.21 0.11 -0.04 2.70 3.00 2r9eA1 MET 206 H -1.89 0.18 0.10 -0.55 8.47 6.32 2r9eA1 MET 206 HA -0.06 0.12 0.34 -0.75 4.52 4.17 2r9eA1 MET 206 HB2 -0.97 0.05 0.08 -0.04 2.15 1.27 2r9eA1 MET 206 HB3 -1.34 -0.01 0.08 -0.04 2.03 0.72 2r9eA1 MET 206 HG2 -0.40 0.04 -0.11 -0.04 2.63 2.11 2r9eA1 MET 206 HG3 -0.11 -0.05 -0.11 -0.04 2.56 2.25 2r9eA1 MET 206 HE3 0.05 -0.01 -0.01 -0.04 2.10 2.09 2r9eA1 TYR 207 H -0.59 0.11 -0.16 -0.55 8.29 7.10 2r9eA1 TYR 207 HA -0.06 0.08 0.32 -0.75 4.56 4.15 2r9eA1 TYR 207 HB2 -0.13 0.02 -0.02 -0.04 3.06 2.89 2r9eA1 TYR 207 HB3 -0.06 0.11 -0.02 -0.04 2.98 2.97 2r9eA1 TYR 207 HD2 -0.18 0.02 -0.01 -0.04 7.15 6.94 2r9eA1 TYR 207 HE2 -0.07 0.02 -0.01 -0.04 6.85 6.76 2r9eA1 SER 208 H -0.04 0.11 -0.28 -0.55 8.46 7.70 2r9eA1 SER 208 HA -0.02 0.05 0.51 -0.75 4.49 4.28 2r9eA1 SER 208 HB2 -0.04 0.14 -0.04 -0.04 3.95 3.97 2r9eA1 SER 208 HB3 -0.04 0.02 -0.04 -0.04 3.93 3.83 2r9eA1 GLY 209 H -0.12 0.50 -0.24 -0.55 8.43 8.02 2r9eA1 GLY 209 HA2 -0.36 0.04 0.48 -0.51 4.01 3.66 2r9eA1 GLY 209 HA3 -0.56 0.10 0.26 -0.51 4.01 3.30 2r9eA1 ILE 210 H 0.05 0.53 -0.19 -0.55 8.25 8.09 2r9eA1 ILE 210 HA -0.02 -0.02 0.43 -0.75 4.18 3.82 2r9eA1 ILE 210 HB 0.11 0.12 0.08 -0.04 1.89 2.16 2r9eA1 ILE 210 HG12 0.38 -0.05 -0.01 -0.04 1.49 1.77 2r9eA1 ILE 210 HG13 0.30 0.10 0.01 -0.04 1.21 1.57 2r9eA1 ILE 210 HG23 0.25 -0.01 -0.14 -0.04 0.93 0.99 2r9eA1 ILE 210 HD13 0.09 -0.01 -0.08 -0.04 0.88 0.84 2r9eA1 THR 211 H -0.04 0.43 -0.24 -0.55 8.28 7.88 2r9eA1 THR 211 HA -0.04 -0.01 0.42 -0.75 4.39 4.01 2r9eA1 THR 211 HB -0.05 0.10 0.16 -0.04 4.32 4.50 2r9eA1 THR 211 HG23 -0.03 -0.01 -0.06 -0.04 1.22 1.09 2r9eA1 ALA 212 H -0.14 0.61 -0.13 -0.55 8.40 8.19 2r9eA1 ALA 212 HA -0.12 0.01 0.40 -0.75 4.34 3.88 2r9eA1 ALA 212 HB3 -0.16 0.04 -0.02 -0.04 1.41 1.23 2r9eA1 ALA 213 H -0.37 0.50 -0.25 -0.55 8.40 7.74 2r9eA1 ALA 213 HA -0.44 0.08 0.51 -0.75 4.34 3.74 2r9eA1 ALA 213 HB3 -1.72 -0.00 0.01 -0.04 1.41 -0.35 2r9eA1 LEU 214 H -0.39 0.69 -0.11 -0.55 8.37 8.02 2r9eA1 LEU 214 HA 0.01 -0.08 0.40 -0.75 4.35 3.93 2r9eA1 LEU 214 HB2 -0.05 0.19 0.13 -0.04 1.64 1.87 2r9eA1 LEU 214 HB3 0.01 -0.04 -0.06 -0.04 1.64 1.51 2r9eA1 LEU 214 HG 0.11 0.06 0.01 -0.04 1.64 1.78 2r9eA1 LEU 214 HD13 0.09 -0.01 -0.21 -0.04 0.93 0.76 2r9eA1 LEU 214 HD23 0.25 -0.03 -0.04 -0.04 0.89 1.03 2r9eA1 ALA 215 H -0.12 0.56 -0.21 -0.55 8.40 8.09 2r9eA1 ALA 215 HA -0.04 -0.02 0.38 -0.75 4.34 3.90 2r9eA1 ALA 215 HB3 -0.07 0.07 0.08 -0.04 1.41 1.45 2r9eA1 ALA 216 H -0.10 0.49 -0.17 -0.55 8.40 8.07 2r9eA1 ALA 216 HA -0.01 0.09 0.63 -0.75 4.34 4.30 2r9eA1 ALA 216 HB3 -0.01 -0.01 -0.03 -0.04 1.41 1.32 2r9eA1 LEU 217 H -0.06 0.62 -0.03 -0.55 8.37 8.36 2r9eA1 LEU 217 HA -0.36 -0.16 0.39 -0.75 4.35 3.47 2r9eA1 LEU 217 HB2 0.08 0.08 0.09 -0.04 1.64 1.85 2r9eA1 LEU 217 HB3 -0.05 0.14 0.07 -0.04 1.64 1.76 2r9eA1 LEU 217 HG -0.54 -0.11 -0.05 -0.04 1.64 0.90 2r9eA1 LEU 217 HD13 -1.41 -0.04 0.03 -0.04 0.93 -0.52 2r9eA1 LEU 217 HD23 -0.26 0.02 -0.09 -0.04 0.89 0.51 2r9eA1 LYS 218 H -0.06 0.53 -0.32 -0.55 8.42 8.02 2r9eA1 LYS 218 HA -0.06 -0.08 0.28 -0.75 4.32 3.70 2r9eA1 LYS 218 HB2 -0.03 0.01 0.02 -0.04 1.87 1.83 2r9eA1 LYS 218 HB3 -0.03 0.28 0.04 -0.04 1.79 2.04 2r9eA1 LYS 218 HG2 -0.02 0.02 -0.19 -0.04 1.46 1.23 2r9eA1 LYS 218 HG3 -0.02 -0.14 0.02 -0.04 1.46 1.28 2r9eA1 LYS 218 HD2 -0.01 -0.08 -0.08 -0.04 1.69 1.47 2r9eA1 LYS 218 HD3 -0.02 0.12 -0.03 -0.04 1.68 1.72 2r9eA1 LYS 218 HE2 -0.01 -0.11 0.00 -0.04 2.99 2.83 2r9eA1 LYS 218 HE3 -0.01 0.02 0.00 -0.04 2.99 2.96 2r9eA1 GLY 219 H -0.01 0.35 -0.42 -0.55 8.43 7.81 2r9eA1 GLY 219 HA2 0.01 0.12 0.24 -0.51 4.01 3.87 2r9eA1 GLY 219 HA3 0.02 0.05 0.30 -0.51 4.01 3.87 2r9eA1 PRO 220 HA 0.04 -0.08 0.17 -0.51 4.44 4.06 2r9eA1 PRO 220 HB2 0.03 0.06 -0.04 -0.04 2.28 2.29 2r9eA1 PRO 220 HB3 0.02 0.04 0.05 -0.04 2.02 2.10 2r9eA1 PRO 220 HG2 0.02 0.04 0.04 -0.04 2.03 2.08 2r9eA1 PRO 220 HG3 0.02 0.10 0.06 -0.04 2.03 2.16 2r9eA1 PRO 220 HD2 0.01 0.10 0.21 -0.04 3.68 3.97 2r9eA1 PRO 220 HD3 0.01 0.19 0.18 -0.04 3.65 3.99 2r9eA1 LEU 221 H 0.05 0.11 -0.27 -0.55 8.37 7.71 2r9eA1 LEU 221 HA 0.06 0.17 0.68 -0.75 4.35 4.51 2r9eA1 LEU 221 HB2 0.03 -0.02 -0.03 -0.04 1.64 1.58 2r9eA1 LEU 221 HB3 0.03 0.03 0.09 -0.04 1.64 1.74 2r9eA1 LEU 221 HG 0.02 -0.04 -0.01 -0.04 1.64 1.57 2r9eA1 LEU 221 HD13 0.01 0.02 -0.01 -0.04 0.93 0.90 2r9eA1 LEU 221 HD23 0.02 0.02 -0.07 -0.04 0.89 0.82 2r9eA1 HIS 222 H 0.12 0.25 -0.39 -0.55 8.41 7.85 2r9eA1 HIS 222 HA 0.05 0.13 0.73 -0.75 4.63 4.79 2r9eA1 HIS 222 HB2 0.00 0.00 -0.01 -0.04 3.26 3.21 2r9eA1 HIS 222 HB3 -0.02 0.21 0.21 -0.04 3.20 3.55 2r9eA1 HIS 222 HD2 -0.01 0.12 -0.21 -0.04 6.97 6.84 2r9eA1 HIS 222 HE1 0.19 0.05 0.01 -0.04 7.75 7.95 2r9eA1 GLY 223 H -0.52 0.20 0.26 -0.55 8.43 7.82 2r9eA1 GLY 223 HA2 -0.09 -0.05 0.30 -0.51 4.01 3.66 2r9eA1 GLY 223 HA3 -0.59 0.07 0.36 -0.51 4.01 3.34 2r9eA1 GLY 224 H -0.04 0.59 -0.31 -0.55 8.43 8.12 2r9eA1 GLY 224 HA2 0.01 -0.08 0.45 -0.51 4.01 3.88 2r9eA1 GLY 224 HA3 0.01 0.17 -0.03 -0.51 4.01 3.65 2r9eA1 ALA 225 H 0.09 0.61 -0.43 -0.55 8.40 8.12 2r9eA1 ALA 225 HA 0.07 0.03 0.55 -0.75 4.34 4.23 2r9eA1 ALA 225 HB3 0.13 0.05 0.05 -0.04 1.41 1.60 2r9eA1 ALA 226 H 0.15 0.60 -0.25 -0.55 8.40 8.35 2r9eA1 ALA 226 HA 0.13 0.07 0.36 -0.75 4.34 4.15 2r9eA1 ALA 226 HB3 0.25 -0.00 -0.08 -0.04 1.41 1.54 2r9eA1 GLU 227 H 0.09 0.28 -0.41 -0.55 8.60 8.01 2r9eA1 GLU 227 HA 0.20 0.18 0.95 -0.75 4.29 4.86 2r9eA1 GLU 227 HB2 0.03 -0.18 0.03 -0.04 2.09 1.93 2r9eA1 GLU 227 HB3 0.02 0.16 0.07 -0.04 1.99 2.19 2r9eA1 GLU 227 HG2 -0.01 0.08 -0.12 -0.04 2.34 2.24 2r9eA1 GLU 227 HG3 -0.06 0.01 0.04 -0.04 2.34 2.29 2r9eA1 ALA 228 H 0.03 0.44 0.11 -0.55 8.40 8.44 2r9eA1 ALA 228 HA -0.02 0.06 0.36 -0.75 4.34 3.99 2r9eA1 ALA 228 HB3 0.03 0.01 0.08 -0.04 1.41 1.49 2r9eA1 ALA 229 H -0.05 0.71 -0.13 -0.55 8.40 8.39 2r9eA1 ALA 229 HA -0.22 0.09 0.47 -0.75 4.34 3.93 2r9eA1 ALA 229 HB3 -0.15 0.01 -0.15 -0.04 1.41 1.07 2r9eA1 ILE 230 H -0.24 0.19 -0.23 -0.55 8.25 7.42 2r9eA1 ILE 230 HA -1.16 0.06 0.41 -0.75 4.18 2.74 2r9eA1 ILE 230 HB -0.03 -0.05 0.03 -0.04 1.89 1.80 2r9eA1 ILE 230 HG12 0.09 0.01 -0.06 -0.04 1.49 1.48 2r9eA1 ILE 230 HG13 0.26 -0.01 0.02 -0.04 1.21 1.44 2r9eA1 ILE 230 HG23 0.19 0.03 0.01 -0.04 0.93 1.12 2r9eA1 ILE 230 HD13 0.18 -0.02 -0.23 -0.04 0.88 0.77 2r9eA1 ALA 231 H -0.17 0.45 -0.36 -0.55 8.40 7.77 2r9eA1 ALA 231 HA -0.08 0.02 0.48 -0.75 4.34 4.01 2r9eA1 ALA 231 HB3 -0.04 0.02 0.05 -0.04 1.41 1.40 2r9eA1 GLN 232 H -0.35 0.42 -0.30 -0.55 8.47 7.68 2r9eA1 GLN 232 HA -0.19 0.04 0.51 -0.75 4.36 3.97 2r9eA1 GLN 232 HB2 -0.52 0.18 0.17 -0.04 2.15 1.93 2r9eA1 GLN 232 HB3 -0.64 -0.07 0.01 -0.04 2.02 1.27 2r9eA1 GLN 232 HG2 0.33 -0.03 0.05 -0.04 2.40 2.71 2r9eA1 GLN 232 HG3 -0.04 0.22 0.18 -0.04 2.39 2.70 2r9eA1 GLN 232 HE21 0.18 0.21 0.09 -0.04 6.97 7.41 2r9eA1 GLN 232 HE22 -0.32 0.18 0.17 -0.04 7.69 7.68 2r9eA1 PHE 233 H -0.79 0.32 -0.14 -0.55 8.34 7.17 2r9eA1 PHE 233 HA -0.30 -0.01 0.33 -0.75 4.62 3.88 2r9eA1 PHE 233 HB2 -0.12 0.07 0.09 -0.04 3.15 3.14 2r9eA1 PHE 233 HB3 -0.16 -0.02 0.08 -0.04 3.06 2.92 2r9eA1 PHE 233 HD2 -0.22 -0.05 -0.06 -0.04 7.28 6.90 2r9eA1 PHE 233 HE2 -0.42 0.01 -0.02 -0.04 7.38 6.90 2r9eA1 PHE 233 HZ -1.83 0.03 0.00 -0.04 7.32 5.48 2r9eA1 ASP 234 H -0.06 0.56 -0.10 -0.55 8.40 8.26 2r9eA1 ASP 234 HA 0.01 -0.00 0.40 -0.75 4.63 4.29 2r9eA1 ASP 234 HB2 0.01 -0.01 0.11 -0.04 2.71 2.77 2r9eA1 ASP 234 HB3 -0.03 0.12 0.10 -0.04 2.70 2.85 2r9eA1 GLU 235 H -0.12 0.36 -0.43 -0.55 8.60 7.86 2r9eA1 GLU 235 HA 0.00 0.02 0.41 -0.75 4.29 3.97 2r9eA1 GLU 235 HB2 0.04 -0.01 0.10 -0.04 2.09 2.17 2r9eA1 GLU 235 HB3 -0.14 0.15 0.20 -0.04 1.99 2.16 2r9eA1 GLU 235 HG2 0.24 -0.01 -0.21 -0.04 2.34 2.32 2r9eA1 GLU 235 HG3 0.16 -0.03 0.01 -0.04 2.34 2.44 2r9eA1 ILE 236 H -0.28 0.38 -0.13 -0.55 8.25 7.67 2r9eA1 ILE 236 HA -0.11 0.02 0.35 -0.75 4.18 3.68 2r9eA1 ILE 236 HB -0.22 0.08 0.09 -0.04 1.89 1.80 2r9eA1 ILE 236 HG12 -0.61 -0.05 -0.00 -0.04 1.49 0.78 2r9eA1 ILE 236 HG13 -1.32 0.14 0.04 -0.04 1.21 0.03 2r9eA1 ILE 236 HG23 -0.02 -0.07 -0.28 -0.04 0.93 0.51 2r9eA1 ILE 236 HD13 -0.61 -0.04 -0.08 -0.04 0.88 0.11 2r9eA1 LYS 237 H -0.05 0.41 -0.13 -0.55 8.42 8.09 2r9eA1 LYS 237 HA -0.00 0.02 0.29 -0.75 4.32 3.88 2r9eA1 LYS 237 HB2 0.01 0.19 -0.53 -0.04 1.87 1.50 2r9eA1 LYS 237 HB3 0.02 0.01 -0.09 -0.04 1.79 1.68 2r9eA1 LYS 237 HG2 0.02 -0.04 -0.02 -0.04 1.46 1.37 2r9eA1 LYS 237 HG3 0.02 -0.09 0.06 -0.04 1.46 1.41 2r9eA1 LYS 237 HD2 0.02 -0.12 0.06 -0.04 1.69 1.61 2r9eA1 LYS 237 HD3 0.01 0.30 0.08 -0.04 1.68 2.03 2r9eA1 LYS 237 HE2 0.02 -0.09 0.01 -0.04 2.99 2.89 2r9eA1 LYS 237 HE3 0.02 -0.06 0.04 -0.04 2.99 2.94 2r9eA1 ASP 238 H 0.01 0.50 -0.41 -0.55 8.40 7.95 2r9eA1 ASP 238 HA 0.01 0.18 0.81 -0.75 4.63 4.89 2r9eA1 ASP 238 HB2 0.03 0.11 -0.07 -0.04 2.71 2.73 2r9eA1 ASP 238 HB3 0.04 0.04 0.14 -0.04 2.70 2.88 2r9eA1 PRO 239 HA 0.01 0.07 0.44 -0.51 4.44 4.45 2r9eA1 PRO 239 HB2 0.01 0.05 -0.04 -0.04 2.28 2.25 2r9eA1 PRO 239 HB3 -0.02 0.06 0.03 -0.04 2.02 2.05 2r9eA1 PRO 239 HG2 0.02 -0.03 0.10 -0.04 2.03 2.07 2r9eA1 PRO 239 HG3 0.00 0.10 0.06 -0.04 2.03 2.15 2r9eA1 PRO 239 HD2 0.01 0.17 0.26 -0.04 3.68 4.08 2r9eA1 PRO 239 HD3 -0.01 0.20 0.07 -0.04 3.65 3.88 2r9eA1 ALA 240 H 0.04 0.16 -0.16 -0.55 8.40 7.89 2r9eA1 ALA 240 HA 0.06 0.07 0.49 -0.75 4.34 4.21 2r9eA1 ALA 240 HB3 0.04 0.02 0.04 -0.04 1.41 1.47 2r9eA1 MET 241 H 0.06 0.43 -0.47 -0.55 8.47 7.94 2r9eA1 MET 241 HA 0.09 0.09 0.61 -0.75 4.52 4.55 2r9eA1 MET 241 HB2 0.07 0.29 0.16 -0.04 2.15 2.62 2r9eA1 MET 241 HB3 0.12 -0.04 0.17 -0.04 2.03 2.24 2r9eA1 MET 241 HG2 0.05 -0.13 -0.05 -0.04 2.63 2.47 2r9eA1 MET 241 HG3 0.06 0.10 0.06 -0.04 2.56 2.74 2r9eA1 MET 241 HE3 0.04 0.00 -0.02 -0.04 2.10 2.09 2r9eA1 VAL 242 H 0.12 0.44 -0.28 -0.55 8.24 7.96 2r9eA1 VAL 242 HA 0.18 0.07 0.28 -0.75 4.13 3.91 2r9eA1 VAL 242 HB 0.27 0.06 0.13 -0.04 2.12 2.54 2r9eA1 VAL 242 HG13 0.31 -0.02 -0.21 -0.04 0.97 1.01 2r9eA1 VAL 242 HG23 0.04 0.01 0.10 -0.04 0.95 1.06 2r9eA1 GLU 243 H 0.11 0.22 -0.07 -0.55 8.60 8.32 2r9eA1 GLU 243 HA -0.20 0.06 0.30 -0.75 4.29 3.70 2r9eA1 GLU 243 HB2 -0.25 0.03 0.11 -0.04 2.09 1.94 2r9eA1 GLU 243 HB3 -0.16 0.05 -0.02 -0.04 1.99 1.82 2r9eA1 GLU 243 HG2 -0.48 -0.03 0.10 -0.04 2.34 1.88 2r9eA1 GLU 243 HG3 -2.30 0.01 0.03 -0.04 2.34 0.04 2r9eA1 LYS 244 H 0.08 0.15 -0.29 -0.55 8.42 7.79 2r9eA1 LYS 244 HA 0.02 0.05 0.46 -0.75 4.32 4.10 2r9eA1 LYS 244 HB2 0.06 -0.01 0.10 -0.04 1.87 1.98 2r9eA1 LYS 244 HB3 0.12 0.15 0.07 -0.04 1.79 2.09 2r9eA1 LYS 244 HG2 0.02 -0.04 0.05 -0.04 1.46 1.45 2r9eA1 LYS 244 HG3 0.03 -0.00 0.03 -0.04 1.46 1.47 2r9eA1 LYS 244 HD2 0.06 0.01 -0.01 -0.04 1.69 1.71 2r9eA1 LYS 244 HD3 0.07 0.03 -0.13 -0.04 1.68 1.62 2r9eA1 LYS 244 HE2 0.01 -0.02 -0.02 -0.04 2.99 2.92 2r9eA1 LYS 244 HE3 0.02 -0.01 -0.01 -0.04 2.99 2.95 2r9eA1 TRP 245 H 0.33 0.56 -0.05 -0.55 7.97 8.26 2r9eA1 TRP 245 HA 0.04 0.04 0.45 -0.75 4.62 4.40 2r9eA1 TRP 245 HB2 0.07 0.09 0.13 -0.04 3.23 3.48 2r9eA1 TRP 245 HB3 0.12 0.11 0.17 -0.04 3.23 3.59 2r9eA1 TRP 245 HD1 0.04 0.05 -0.04 -0.04 7.22 7.23 2r9eA1 TRP 245 HE1 0.03 0.02 -0.05 -0.04 10.20 10.16 2r9eA1 TRP 245 HE3 0.23 0.05 -0.23 -0.04 7.59 7.60 2r9eA1 TRP 245 HZ2 0.03 0.01 -0.03 -0.04 7.44 7.42 2r9eA1 TRP 245 HZ3 0.26 -0.02 -0.09 -0.04 7.13 7.23 2r9eA1 TRP 245 HH2 0.08 -0.01 -0.05 -0.04 7.19 7.17 2r9eA1 PHE 246 H 0.49 0.56 -0.14 -0.55 8.34 8.71 2r9eA1 PHE 246 HA 0.10 -0.00 0.30 -0.75 4.62 4.27 2r9eA1 PHE 246 HB2 0.32 0.04 0.08 -0.04 3.15 3.55 2r9eA1 PHE 246 HB3 -0.00 0.12 0.17 -0.04 3.06 3.30 2r9eA1 PHE 246 HD2 0.08 0.02 -0.04 -0.04 7.28 7.30 2r9eA1 PHE 246 HE2 0.04 0.02 -0.07 -0.04 7.38 7.33 2r9eA1 PHE 246 HZ -0.26 0.05 -0.10 -0.04 7.32 6.97 2r9eA1 ASN 247 H 0.03 0.59 -0.12 -0.55 8.53 8.49 2r9eA1 ASN 247 HA -0.29 -0.06 0.55 -0.75 4.76 4.20 2r9eA1 ASN 247 HB2 -0.06 0.10 0.19 -0.04 2.88 3.07 2r9eA1 ASN 247 HB3 -0.10 -0.02 0.05 -0.04 2.79 2.68 2r9eA1 ASN 247 HD21 -0.07 -0.05 -0.01 -0.04 7.03 6.87 2r9eA1 ASN 247 HD22 -0.06 -0.01 -0.05 -0.04 7.74 7.58 2r9eA1 ASP 248 H -0.15 0.60 -0.11 -0.55 8.40 8.19 2r9eA1 ASP 248 HA -0.16 0.04 0.44 -0.75 4.63 4.19 2r9eA1 ASP 248 HB2 -0.22 0.06 0.13 -0.04 2.71 2.64 2r9eA1 ASP 248 HB3 -0.17 -0.04 -0.00 -0.04 2.70 2.45 2r9eA1 ASN 249 H -0.54 0.45 -0.14 -0.55 8.53 7.75 2r9eA1 ASN 249 HA -0.37 0.18 0.87 -0.75 4.76 4.69 2r9eA1 ASN 249 HB2 -1.60 0.10 0.05 -0.04 2.88 1.39 2r9eA1 ASN 249 HB3 -0.79 -0.05 -0.09 -0.04 2.79 1.82 2r9eA1 ASN 249 HD21 -0.66 -0.03 -0.04 -0.04 7.03 6.25 2r9eA1 ASN 249 HD22 -1.51 0.31 0.11 -0.04 7.74 6.61 2r9eA1 ILE 250 H -0.48 0.42 0.08 -0.55 8.25 7.71 2r9eA1 ILE 250 HA -0.19 0.33 0.71 -0.75 4.18 4.28 2r9eA1 ILE 250 HB -0.78 0.10 0.18 -0.04 1.89 1.35 2r9eA1 ILE 250 HG12 -0.28 -0.01 -0.01 -0.04 1.49 1.15 2r9eA1 ILE 250 HG13 0.31 -0.07 -0.07 -0.04 1.21 1.35 2r9eA1 ILE 250 HG23 0.17 0.00 -0.11 -0.04 0.93 0.95 2r9eA1 ILE 250 HD13 -0.04 -0.01 -0.51 -0.04 0.88 0.28 2r9eA1 ILE 251 H -0.53 0.41 0.24 -0.55 8.25 7.82 2r9eA1 ILE 251 HA -0.24 0.09 0.32 -0.75 4.18 3.60 2r9eA1 ILE 251 HB -0.31 0.03 0.21 -0.04 1.89 1.78 2r9eA1 ILE 251 HG12 -1.16 0.01 -0.05 -0.04 1.49 0.25 2r9eA1 ILE 251 HG13 -0.30 -0.01 -0.00 -0.04 1.21 0.86 2r9eA1 ILE 251 HG23 -0.16 0.00 -0.01 -0.04 0.93 0.73 2r9eA1 ILE 251 HD13 -0.40 0.00 -0.08 -0.04 0.88 0.37 2r9eA1 ASN 252 H -0.20 0.38 -0.10 -0.55 8.53 8.06 2r9eA1 ASN 252 HA -0.10 0.07 0.51 -0.75 4.76 4.48 2r9eA1 ASN 252 HB2 -0.09 -0.03 0.10 -0.04 2.88 2.82 2r9eA1 ASN 252 HB3 -0.12 0.04 0.10 -0.04 2.79 2.77 2r9eA1 ASN 252 HD21 -0.14 0.21 0.11 -0.04 7.03 7.17 2r9eA1 ASN 252 HD22 -0.11 -0.13 0.04 -0.04 7.74 7.51 2r9eA1 GLY 253 H -0.13 0.36 -0.85 -0.55 8.43 7.27 2r9eA1 GLY 253 HA2 -0.05 0.09 0.22 -0.51 4.01 3.75 2r9eA1 GLY 253 HA3 -0.05 0.04 0.25 -0.51 4.01 3.74 2r9eA1 LYS 254 H -0.12 0.03 -0.41 -0.55 8.42 7.37 2r9eA1 LYS 254 HA -0.07 0.02 0.44 -0.75 4.32 3.96 2r9eA1 LYS 254 HB2 -0.12 -0.01 0.03 -0.04 1.87 1.73 2r9eA1 LYS 254 HB3 -0.15 0.18 0.18 -0.04 1.79 1.95 2r9eA1 LYS 254 HG2 -0.08 -0.05 -0.02 -0.04 1.46 1.26 2r9eA1 LYS 254 HG3 -0.07 -0.04 0.06 -0.04 1.46 1.37 2r9eA1 LYS 254 HD2 -0.13 0.16 0.08 -0.04 1.69 1.75 2r9eA1 LYS 254 HD3 -0.09 -0.08 0.01 -0.04 1.68 1.49 2r9eA1 LYS 254 HE2 -0.07 -0.04 0.01 -0.04 2.99 2.85 2r9eA1 LYS 254 HE3 -0.06 -0.05 0.01 -0.04 2.99 2.85 2r9eA1 LYS 255 H -0.11 0.43 0.09 -0.55 8.42 8.27 2r9eA1 LYS 255 HA -0.04 0.09 0.75 -0.75 4.32 4.37 2r9eA1 LYS 255 HB2 -0.11 0.00 -0.14 -0.04 1.87 1.59 2r9eA1 LYS 255 HB3 -0.01 -0.02 0.00 -0.04 1.79 1.72 2r9eA1 LYS 255 HG2 -0.03 0.07 -0.15 -0.04 1.46 1.30 2r9eA1 LYS 255 HG3 -0.10 -0.02 -0.34 -0.04 1.46 0.96 2r9eA1 LYS 255 HD2 -0.03 -0.02 -0.08 -0.04 1.69 1.51 2r9eA1 LYS 255 HD3 0.02 -0.04 -0.04 -0.04 1.68 1.58 2r9eA1 LYS 255 HE2 0.03 -0.04 -0.04 -0.04 2.99 2.90 2r9eA1 LYS 255 HE3 -0.01 0.01 -0.05 -0.04 2.99 2.90 2r9eA1 ARG 256 H -0.01 0.08 0.08 -0.55 8.46 8.07 2r9eA1 ARG 256 HA -0.05 0.15 0.65 -0.75 4.34 4.33 2r9eA1 ARG 256 HB2 0.01 -0.06 0.03 -0.04 1.90 1.84 2r9eA1 ARG 256 HB3 -0.01 0.06 -0.12 -0.04 1.80 1.68 2r9eA1 ARG 256 HG2 -0.06 0.05 -0.01 -0.04 1.67 1.60 2r9eA1 ARG 256 HG3 -0.02 0.02 -0.06 -0.04 1.67 1.56 2r9eA1 ARG 256 HD2 -0.00 -0.05 -0.03 -0.04 3.22 3.10 2r9eA1 ARG 256 HD3 -0.01 0.02 -0.04 -0.04 3.22 3.14 2r9eA1 LEU 257 H -0.10 0.17 0.05 -0.55 8.37 7.95 2r9eA1 LEU 257 HA 0.21 0.09 0.57 -0.75 4.35 4.46 2r9eA1 LEU 257 HB2 0.18 0.04 0.03 -0.04 1.64 1.85 2r9eA1 LEU 257 HB3 -0.17 -0.01 0.08 -0.04 1.64 1.50 2r9eA1 LEU 257 HG 0.07 -0.02 -0.33 -0.04 1.64 1.32 2r9eA1 LEU 257 HD13 0.41 -0.00 -0.07 -0.04 0.93 1.23 2r9eA1 LEU 257 HD23 -0.63 0.00 -0.09 -0.04 0.89 0.12 2r9eA1 MET 258 H 0.19 0.19 0.11 -0.55 8.47 8.42 2r9eA1 MET 258 HA 0.13 0.07 0.32 -0.75 4.52 4.29 2r9eA1 MET 258 HB2 0.06 0.04 -0.06 -0.04 2.15 2.15 2r9eA1 MET 258 HB3 0.07 -0.09 -0.08 -0.04 2.03 1.89 2r9eA1 MET 258 HG2 0.11 0.16 0.01 -0.04 2.63 2.87 2r9eA1 MET 258 HG3 0.06 -0.03 -0.08 -0.04 2.56 2.47 2r9eA1 MET 258 HE3 0.06 -0.04 -0.05 -0.04 2.10 2.02 2r9eA1 GLY 259 H 0.18 0.21 0.13 -0.55 8.43 8.40 2r9eA1 GLY 259 HA2 0.21 -0.16 0.20 -0.51 4.01 3.74 2r9eA1 GLY 259 HA3 0.39 0.12 0.49 -0.51 4.01 4.50 2r9eA1 PHE 260 H 0.34 0.43 -0.23 -0.55 8.34 8.33 2r9eA1 PHE 260 HA -0.01 0.12 0.72 -0.75 4.62 4.69 2r9eA1 PHE 260 HB2 -0.00 0.16 -0.10 -0.04 3.15 3.16 2r9eA1 PHE 260 HB3 -0.09 0.01 -0.30 -0.04 3.06 2.64 2r9eA1 PHE 260 HD2 -0.03 0.06 -0.54 -0.04 7.28 6.73 2r9eA1 PHE 260 HE2 -0.44 0.02 -0.25 -0.04 7.38 6.67 2r9eA1 PHE 260 HZ -0.17 0.11 0.04 -0.04 7.32 7.27 2r9eA1 GLY 261 H 0.06 0.57 0.10 -0.55 8.43 8.61 2r9eA1 GLY 261 HA2 0.14 0.06 0.40 -0.51 4.01 4.10 2r9eA1 GLY 261 HA3 0.09 0.15 0.45 -0.51 4.01 4.19 2r9eA1 HIS 262 H 0.17 0.41 0.16 -0.55 8.41 8.61 2r9eA1 HIS 262 HA 0.11 0.03 0.66 -0.75 4.63 4.68 2r9eA1 HIS 262 HB2 0.20 0.08 -0.36 -0.04 3.26 3.13 2r9eA1 HIS 262 HB3 0.20 0.20 0.05 -0.04 3.20 3.60 2r9eA1 HIS 262 HD2 0.21 0.03 0.12 -0.04 6.97 7.29 2r9eA1 HIS 262 HE1 0.13 0.08 0.06 -0.04 7.75 7.97 2r9eA1 ARG 263 H -0.30 0.10 0.16 -0.55 8.46 7.87 2r9eA1 ARG 263 HA 0.02 0.16 0.53 -0.75 4.34 4.29 2r9eA1 ARG 263 HB2 -0.08 0.02 0.15 -0.04 1.90 1.95 2r9eA1 ARG 263 HB3 -0.11 -0.11 0.14 -0.04 1.80 1.68 2r9eA1 ARG 263 HG2 -0.03 0.03 0.02 -0.04 1.67 1.65 2r9eA1 ARG 263 HG3 -0.00 -0.01 -0.17 -0.04 1.67 1.44 2r9eA1 ARG 263 HD2 -0.00 -0.04 0.06 -0.04 3.22 3.20 2r9eA1 ARG 263 HD3 0.01 0.07 0.17 -0.04 3.22 3.43 2r9eA1 VAL 264 H 0.56 -0.13 -0.21 -0.55 8.24 7.91 2r9eA1 VAL 264 HA 0.05 0.23 0.67 -0.75 4.13 4.33 2r9eA1 VAL 264 HB -0.08 -0.10 0.08 -0.04 2.12 1.98 2r9eA1 VAL 264 HG13 -0.15 -0.01 -0.12 -0.04 0.97 0.65 2r9eA1 VAL 264 HG23 0.03 0.01 -0.07 -0.04 0.95 0.87 2r9eA1 TYR 265 H 0.02 -0.09 0.04 -0.55 8.29 7.70 2r9eA1 TYR 265 HA 0.03 0.05 0.57 -0.75 4.56 4.45 2r9eA1 TYR 265 HB2 -0.11 -0.07 0.11 -0.04 3.06 2.96 2r9eA1 TYR 265 HB3 -0.04 0.26 -0.05 -0.04 2.98 3.11 2r9eA1 TYR 265 HD2 -0.43 0.05 0.04 -0.04 7.15 6.77 2r9eA1 TYR 265 HE2 -0.06 -0.01 -0.07 -0.04 6.85 6.66 2r9eA1 LYS 266 H 0.17 0.63 0.30 -0.55 8.42 8.97 2r9eA1 LYS 266 HA 0.22 0.44 0.89 -0.75 4.32 5.11 2r9eA1 LYS 266 HB2 0.11 -0.06 0.12 -0.04 1.87 2.00 2r9eA1 LYS 266 HB3 0.15 -0.01 0.24 -0.04 1.79 2.12 2r9eA1 LYS 266 HG2 0.12 0.07 -0.32 -0.04 1.46 1.29 2r9eA1 LYS 266 HG3 0.09 -0.11 -0.03 -0.04 1.46 1.38 2r9eA1 LYS 266 HD2 0.09 -0.08 -0.01 -0.04 1.69 1.65 2r9eA1 LYS 266 HD3 0.13 0.04 0.09 -0.04 1.68 1.90 2r9eA1 LYS 266 HE2 0.13 -0.00 0.02 -0.04 2.99 3.10 2r9eA1 LYS 266 HE3 0.16 0.18 -0.26 -0.04 2.99 3.04 2r9eA1 THR 267 H 0.09 0.16 -0.18 -0.55 8.28 7.80 2r9eA1 THR 267 HA -0.84 0.12 0.45 -0.75 4.39 3.36 2r9eA1 THR 267 HB -0.10 0.18 -0.16 -0.04 4.32 4.19 2r9eA1 THR 267 HG23 -0.05 0.05 -0.38 -0.04 1.22 0.80 2r9eA1 TYR 268 H -0.43 0.13 0.04 -0.55 8.29 7.48 2r9eA1 TYR 268 HA -0.14 0.08 0.40 -0.75 4.56 4.15 2r9eA1 TYR 268 HB2 -0.24 0.02 0.11 -0.04 3.06 2.91 2r9eA1 TYR 268 HB3 -0.19 -0.01 -0.04 -0.04 2.98 2.71 2r9eA1 TYR 268 HD2 -0.04 0.08 -0.11 -0.04 7.15 7.04 2r9eA1 TYR 268 HE2 0.02 -0.04 -0.23 -0.04 6.85 6.57 2r9eA1 ASP 269 H -0.31 0.48 0.20 -0.55 8.40 8.21 2r9eA1 ASP 269 HA -0.98 0.13 0.47 -0.75 4.63 3.49 2r9eA1 ASP 269 HB2 -0.21 0.22 0.27 -0.04 2.71 2.95 2r9eA1 ASP 269 HB3 -0.14 -0.09 0.09 -0.04 2.70 2.51 2r9eA1 PRO 270 HA -0.10 0.14 0.44 -0.51 4.44 4.41 2r9eA1 PRO 270 HB2 -0.09 -0.09 0.03 -0.04 2.28 2.09 2r9eA1 PRO 270 HB3 -0.11 0.33 0.19 -0.04 2.02 2.39 2r9eA1 PRO 270 HG2 -0.07 -0.08 0.05 -0.04 2.03 1.89 2r9eA1 PRO 270 HG3 -0.04 0.01 -0.22 -0.04 2.03 1.75 2r9eA1 PRO 270 HD2 -1.24 0.01 0.19 -0.04 3.68 2.60 2r9eA1 PRO 270 HD3 -0.57 0.32 0.15 -0.04 3.65 3.51 2r9eA1 ARG 271 H -0.12 0.15 -0.15 -0.55 8.46 7.79 2r9eA1 ARG 271 HA -0.14 0.11 0.60 -0.75 4.34 4.15 2r9eA1 ARG 271 HB2 -0.03 -0.08 0.02 -0.04 1.90 1.77 2r9eA1 ARG 271 HB3 -0.10 0.04 0.02 -0.04 1.80 1.72 2r9eA1 ARG 271 HG2 -0.10 0.06 0.08 -0.04 1.67 1.67 2r9eA1 ARG 271 HG3 -0.04 -0.10 0.06 -0.04 1.67 1.54 2r9eA1 ARG 271 HD2 -0.05 0.15 0.05 -0.04 3.22 3.33 2r9eA1 ARG 271 HD3 0.08 0.10 0.08 -0.04 3.22 3.44 2r9eA1 ALA 272 H 0.02 0.19 -0.43 -0.55 8.40 7.63 2r9eA1 ALA 272 HA 0.31 0.03 0.33 -0.75 4.34 4.26 2r9eA1 ALA 272 HB3 0.14 0.03 -0.30 -0.04 1.41 1.24 2r9eA1 LYS 273 H 0.11 0.40 -0.22 -0.55 8.42 8.15 2r9eA1 LYS 273 HA -0.05 0.07 0.48 -0.75 4.32 4.07 2r9eA1 LYS 273 HB2 -0.09 0.13 0.11 -0.04 1.87 1.98 2r9eA1 LYS 273 HB3 -0.15 0.00 -0.03 -0.04 1.79 1.57 2r9eA1 LYS 273 HG2 -0.55 -0.02 -0.03 -0.04 1.46 0.82 2r9eA1 LYS 273 HG3 -0.04 0.11 -0.08 -0.04 1.46 1.41 2r9eA1 LYS 273 HD2 -0.16 -0.01 -0.00 -0.04 1.69 1.47 2r9eA1 LYS 273 HD3 -0.28 -0.01 -0.02 -0.04 1.68 1.34 2r9eA1 LYS 273 HE2 -0.18 0.02 -0.02 -0.04 2.99 2.78 2r9eA1 LYS 273 HE3 -0.40 -0.02 -0.04 -0.04 2.99 2.49 2r9eA1 ILE 274 H -0.08 0.29 -0.28 -0.55 8.25 7.64 2r9eA1 ILE 274 HA -0.12 0.08 0.44 -0.75 4.18 3.82 2r9eA1 ILE 274 HB -0.26 0.06 0.12 -0.04 1.89 1.78 2r9eA1 ILE 274 HG12 -0.12 0.01 0.01 -0.04 1.49 1.34 2r9eA1 ILE 274 HG13 -0.12 0.09 0.08 -0.04 1.21 1.21 2r9eA1 ILE 274 HG23 -0.23 -0.00 -0.11 -0.04 0.93 0.54 2r9eA1 ILE 274 HD13 -0.14 -0.03 -0.07 -0.04 0.88 0.59 2r9eA1 PHE 275 H -0.02 0.62 -0.04 -0.55 8.34 8.36 2r9eA1 PHE 275 HA -0.09 0.02 0.35 -0.75 4.62 4.15 2r9eA1 PHE 275 HB2 0.02 0.04 0.10 -0.04 3.15 3.27 2r9eA1 PHE 275 HB3 0.06 -0.06 -0.21 -0.04 3.06 2.81 2r9eA1 PHE 275 HD2 -0.17 -0.02 -0.08 -0.04 7.28 6.97 2r9eA1 PHE 275 HE2 -0.59 -0.01 -0.06 -0.04 7.38 6.68 2r9eA1 PHE 275 HZ -0.66 0.08 -0.00 -0.04 7.32 6.69 2r9eA1 LYS 276 H -0.04 0.49 -0.42 -0.55 8.42 7.89 2r9eA1 LYS 276 HA -0.61 -0.02 0.37 -0.75 4.32 3.31 2r9eA1 LYS 276 HB2 -0.79 0.08 0.10 -0.04 1.87 1.21 2r9eA1 LYS 276 HB3 -0.28 0.11 0.12 -0.04 1.79 1.70 2r9eA1 LYS 276 HG2 -0.26 -0.02 -0.21 -0.04 1.46 0.92 2r9eA1 LYS 276 HG3 -1.36 -0.04 0.00 -0.04 1.46 0.03 2r9eA1 LYS 276 HD2 -0.18 -0.01 -0.04 -0.04 1.69 1.42 2r9eA1 LYS 276 HD3 -0.18 0.01 -0.04 -0.04 1.68 1.43 2r9eA1 LYS 276 HE2 -0.02 0.00 -0.06 -0.04 2.99 2.87 2r9eA1 LYS 276 HE3 -0.07 -0.02 -0.04 -0.04 2.99 2.82 2r9eA1 GLY 277 H -0.13 0.51 -0.11 -0.55 8.43 8.16 2r9eA1 GLY 277 HA2 -0.10 0.02 0.43 -0.51 4.01 3.85 2r9eA1 GLY 277 HA3 -0.10 0.07 0.30 -0.51 4.01 3.78 2r9eA1 ILE 278 H -0.07 0.44 -0.19 -0.55 8.25 7.88 2r9eA1 ILE 278 HA -0.06 0.03 0.51 -0.75 4.18 3.91 2r9eA1 ILE 278 HB 0.01 0.09 0.11 -0.04 1.89 2.06 2r9eA1 ILE 278 HG12 -0.06 -0.02 -0.00 -0.04 1.49 1.37 2r9eA1 ILE 278 HG13 -0.08 0.05 0.02 -0.04 1.21 1.15 2r9eA1 ILE 278 HG23 0.01 -0.01 -0.14 -0.04 0.93 0.74 2r9eA1 ILE 278 HD13 -0.13 -0.02 -0.06 -0.04 0.88 0.63 2r9eA1 ALA 279 H -0.00 0.66 -0.06 -0.55 8.40 8.45 2r9eA1 ALA 279 HA 0.01 -0.02 0.32 -0.75 4.34 3.89 2r9eA1 ALA 279 HB3 0.18 0.03 0.09 -0.04 1.41 1.67 2r9eA1 GLU 280 H -0.24 0.53 -0.25 -0.55 8.60 8.10 2r9eA1 GLU 280 HA -1.19 -0.01 0.28 -0.75 4.29 2.63 2r9eA1 GLU 280 HB2 -0.27 0.14 0.12 -0.04 2.09 2.04 2r9eA1 GLU 280 HB3 -0.20 0.07 0.14 -0.04 1.99 1.96 2r9eA1 GLU 280 HG2 -0.46 -0.04 0.01 -0.04 2.34 1.81 2r9eA1 GLU 280 HG3 0.03 -0.02 -0.02 -0.04 2.34 2.30 2r9eA1 LYS 281 H -0.15 0.41 -0.08 -0.55 8.42 8.05 2r9eA1 LYS 281 HA -0.11 0.02 0.34 -0.75 4.32 3.81 2r9eA1 LYS 281 HB2 -0.07 0.03 0.16 -0.04 1.87 1.95 2r9eA1 LYS 281 HB3 -0.07 -0.04 0.02 -0.04 1.79 1.66 2r9eA1 LYS 281 HG2 -0.07 -0.04 0.04 -0.04 1.46 1.34 2r9eA1 LYS 281 HG3 -0.09 0.12 0.12 -0.04 1.46 1.57 2r9eA1 LYS 281 HD2 -0.07 0.00 -0.06 -0.04 1.69 1.53 2r9eA1 LYS 281 HD3 -0.05 -0.04 -0.01 -0.04 1.68 1.54 2r9eA1 LYS 281 HE2 -0.05 -0.03 -0.03 -0.04 2.99 2.84 2r9eA1 LYS 281 HE3 -0.06 -0.01 -0.01 -0.04 2.99 2.87 2r9eA1 LEU 282 H -0.08 0.67 -0.07 -0.55 8.37 8.35 2r9eA1 LEU 282 HA -0.04 0.04 0.44 -0.75 4.35 4.03 2r9eA1 LEU 282 HB2 -0.01 0.06 0.05 -0.04 1.64 1.70 2r9eA1 LEU 282 HB3 -0.00 -0.00 -0.07 -0.04 1.64 1.52 2r9eA1 LEU 282 HG -0.02 0.03 0.04 -0.04 1.64 1.64 2r9eA1 LEU 282 HD13 0.03 -0.02 -0.08 -0.04 0.93 0.81 2r9eA1 LEU 282 HD23 -0.01 -0.01 -0.10 -0.04 0.89 0.74 2r9eA1 SER 283 H -0.07 0.68 -0.06 -0.55 8.46 8.47 2r9eA1 SER 283 HA 0.03 0.03 0.51 -0.75 4.49 4.30 2r9eA1 SER 283 HB2 0.11 -0.11 -0.34 -0.04 3.95 3.57 2r9eA1 SER 283 HB3 0.03 0.01 0.05 -0.04 3.93 3.98 2r9eA1 SER 284 H -0.10 0.51 -0.26 -0.55 8.46 8.06 2r9eA1 SER 284 HA -0.46 -0.03 0.32 -0.75 4.49 3.57 2r9eA1 SER 284 HB2 -0.36 -0.09 0.08 -0.04 3.95 3.55 2r9eA1 SER 284 HB3 -0.28 0.07 0.11 -0.04 3.93 3.78 2r9eA1 LYS 285 H -0.06 0.30 -0.56 -0.55 8.42 7.54 2r9eA1 LYS 285 HA -0.06 0.07 0.57 -0.75 4.32 4.15 2r9eA1 LYS 285 HB2 -0.04 0.21 0.10 -0.04 1.87 2.11 2r9eA1 LYS 285 HB3 -0.04 -0.07 0.11 -0.04 1.79 1.76 2r9eA1 LYS 285 HG2 -0.05 -0.04 0.01 -0.04 1.46 1.34 2r9eA1 LYS 285 HG3 -0.06 0.09 0.01 -0.04 1.46 1.46 2r9eA1 LYS 285 HD2 -0.04 0.02 0.02 -0.04 1.69 1.66 2r9eA1 LYS 285 HD3 -0.03 -0.05 0.02 -0.04 1.68 1.58 2r9eA1 LYS 285 HE2 -0.05 0.07 -0.02 -0.04 2.99 2.95 2r9eA1 LYS 285 HE3 -0.03 -0.09 -0.02 -0.04 2.99 2.80 2r9eA1 LYS 286 H -0.01 0.56 -0.32 -0.55 8.42 8.10 2r9eA1 LYS 286 HA -0.00 0.18 0.86 -0.75 4.32 4.61 2r9eA1 LYS 286 HB2 0.03 -0.00 0.22 -0.04 1.87 2.07 2r9eA1 LYS 286 HB3 0.02 -0.14 0.10 -0.04 1.79 1.74 2r9eA1 LYS 286 HG2 -0.01 0.02 0.01 -0.04 1.46 1.43 2r9eA1 LYS 286 HG3 -0.01 0.01 -0.25 -0.04 1.46 1.17 2r9eA1 LYS 286 HD2 0.01 0.04 0.06 -0.04 1.69 1.75 2r9eA1 LYS 286 HD3 0.01 -0.08 0.02 -0.04 1.68 1.59 2r9eA1 LYS 286 HE2 -0.04 -0.07 -0.01 -0.04 2.99 2.84 2r9eA1 LYS 286 HE3 -0.04 -0.02 0.00 -0.04 2.99 2.89 2r9eA1 PRO 287 HA 0.09 0.10 0.33 -0.51 4.44 4.46 2r9eA1 PRO 287 HB2 0.04 0.02 -0.04 -0.04 2.28 2.26 2r9eA1 PRO 287 HB3 0.03 0.06 0.08 -0.04 2.02 2.15 2r9eA1 PRO 287 HG2 0.02 0.00 0.11 -0.04 2.03 2.11 2r9eA1 PRO 287 HG3 0.01 0.07 0.07 -0.04 2.03 2.14 2r9eA1 PRO 287 HD2 0.00 0.14 0.23 -0.04 3.68 4.01 2r9eA1 PRO 287 HD3 -0.01 0.24 -0.05 -0.04 3.65 3.80 2r9eA1 GLU 288 H 0.04 0.16 -0.13 -0.55 8.60 8.12 2r9eA1 GLU 288 HA 0.05 0.09 0.56 -0.75 4.29 4.23 2r9eA1 GLU 288 HB2 0.04 0.02 0.07 -0.04 2.09 2.18 2r9eA1 GLU 288 HB3 0.04 0.04 0.06 -0.04 1.99 2.10 2r9eA1 GLU 288 HG2 0.03 -0.00 0.05 -0.04 2.34 2.37 2r9eA1 GLU 288 HG3 0.03 0.05 0.04 -0.04 2.34 2.41 2r9eA1 VAL 289 H 0.06 0.18 -0.19 -0.55 8.24 7.74 2r9eA1 VAL 289 HA 0.08 0.05 0.56 -0.75 4.13 4.07 2r9eA1 VAL 289 HB 0.07 0.18 0.15 -0.04 2.12 2.48 2r9eA1 VAL 289 HG13 0.09 -0.02 -0.04 -0.04 0.97 0.95 2r9eA1 VAL 289 HG23 0.06 0.01 -0.07 -0.04 0.95 0.92 2r9eA1 HIS 290 H 0.15 0.72 0.06 -0.55 8.41 8.79 2r9eA1 HIS 290 HA 0.06 -0.06 0.31 -0.75 4.63 4.19 2r9eA1 HIS 290 HB2 0.00 0.29 -0.08 -0.04 3.26 3.44 2r9eA1 HIS 290 HB3 0.03 0.05 0.03 -0.04 3.20 3.26 2r9eA1 HIS 290 HD2 0.03 0.01 -0.10 -0.04 6.97 6.87 2r9eA1 HIS 290 HE1 -0.01 -0.01 -0.03 -0.04 7.75 7.65 2r9eA1 LYS 291 H 0.08 0.51 -0.31 -0.55 8.42 8.14 2r9eA1 LYS 291 HA -0.04 -0.03 0.46 -0.75 4.32 3.96 2r9eA1 LYS 291 HB2 0.04 0.23 0.16 -0.04 1.87 2.25 2r9eA1 LYS 291 HB3 0.01 -0.01 -0.04 -0.04 1.79 1.71 2r9eA1 LYS 291 HG2 0.02 -0.08 0.06 -0.04 1.46 1.42 2r9eA1 LYS 291 HG3 0.05 0.09 0.08 -0.04 1.46 1.64 2r9eA1 LYS 291 HD2 0.03 0.03 0.06 -0.04 1.69 1.77 2r9eA1 LYS 291 HD3 0.02 0.00 0.04 -0.04 1.68 1.71 2r9eA1 LYS 291 HE2 0.03 -0.04 0.01 -0.04 2.99 2.95 2r9eA1 LYS 291 HE3 0.04 0.01 -0.05 -0.04 2.99 2.95 2r9eA1 VAL 292 H 0.04 0.35 -0.19 -0.55 8.24 7.88 2r9eA1 VAL 292 HA -0.00 0.02 0.51 -0.75 4.13 3.91 2r9eA1 VAL 292 HB 0.09 0.16 0.16 -0.04 2.12 2.49 2r9eA1 VAL 292 HG13 0.17 -0.03 -0.09 -0.04 0.97 0.97 2r9eA1 VAL 292 HG23 0.07 0.06 0.06 -0.04 0.95 1.11 2r9eA1 TYR 293 H 0.10 0.55 -0.04 -0.55 8.29 8.34 2r9eA1 TYR 293 HA -0.11 -0.04 0.45 -0.75 4.56 4.11 2r9eA1 TYR 293 HB2 0.00 0.01 0.04 -0.04 3.06 3.07 2r9eA1 TYR 293 HB3 -0.19 0.18 0.10 -0.04 2.98 3.03 2r9eA1 TYR 293 HD2 -0.04 0.02 -0.14 -0.04 7.15 6.94 2r9eA1 TYR 293 HE2 -0.07 0.01 -0.04 -0.04 6.85 6.72 2r9eA1 GLU 294 H -0.17 0.66 -0.15 -0.55 8.60 8.39 2r9eA1 GLU 294 HA -0.24 -0.00 0.56 -0.75 4.29 3.86 2r9eA1 GLU 294 HB2 -0.13 0.11 0.13 -0.04 2.09 2.15 2r9eA1 GLU 294 HB3 -0.10 -0.07 0.04 -0.04 1.99 1.83 2r9eA1 GLU 294 HG2 -0.13 -0.07 -0.03 -0.04 2.34 2.07 2r9eA1 GLU 294 HG3 -0.61 0.19 -0.02 -0.04 2.34 1.87 2r9eA1 ILE 295 H -0.15 0.59 -0.07 -0.55 8.25 8.06 2r9eA1 ILE 295 HA -0.11 -0.03 0.52 -0.75 4.18 3.80 2r9eA1 ILE 295 HB -0.14 0.15 0.17 -0.04 1.89 2.03 2r9eA1 ILE 295 HG12 -0.05 -0.12 -0.19 -0.04 1.49 1.09 2r9eA1 ILE 295 HG13 -0.06 0.07 0.01 -0.04 1.21 1.19 2r9eA1 ILE 295 HG23 -0.10 -0.00 -0.09 -0.04 0.93 0.70 2r9eA1 ILE 295 HD13 -0.03 0.02 -0.24 -0.04 0.88 0.59 2r9eA1 ALA 296 H -0.53 0.65 -0.10 -0.55 8.40 7.87 2r9eA1 ALA 296 HA -1.05 -0.02 0.33 -0.75 4.34 2.85 2r9eA1 ALA 296 HB3 -1.10 0.03 0.09 -0.04 1.41 0.39 2r9eA1 THR 297 H -0.40 0.62 -0.09 -0.55 8.28 7.85 2r9eA1 THR 297 HA -0.01 0.01 0.46 -0.75 4.39 4.10 2r9eA1 THR 297 HB -0.12 -0.05 0.03 -0.04 4.32 4.13 2r9eA1 THR 297 HG23 -0.55 0.03 0.01 -0.04 1.22 0.67 2r9eA1 LYS 298 H -0.18 0.51 -0.21 -0.55 8.42 7.98 2r9eA1 LYS 298 HA -0.27 0.02 0.58 -0.75 4.32 3.89 2r9eA1 LYS 298 HB2 -0.11 0.12 0.17 -0.04 1.87 2.00 2r9eA1 LYS 298 HB3 -0.07 0.05 0.19 -0.04 1.79 1.92 2r9eA1 LYS 298 HG2 -0.13 -0.07 -0.04 -0.04 1.46 1.17 2r9eA1 LYS 298 HG3 -0.18 -0.02 0.08 -0.04 1.46 1.30 2r9eA1 LYS 298 HD2 0.01 -0.02 0.02 -0.04 1.69 1.65 2r9eA1 LYS 298 HD3 0.10 0.06 0.10 -0.04 1.68 1.91 2r9eA1 LYS 298 HE2 0.29 -0.08 0.02 -0.04 2.99 3.19 2r9eA1 LYS 298 HE3 0.06 -0.01 0.01 -0.04 2.99 3.00 2r9eA1 LEU 299 H -0.09 0.72 0.01 -0.55 8.37 8.46 2r9eA1 LEU 299 HA 0.09 -0.02 0.45 -0.75 4.35 4.12 2r9eA1 LEU 299 HB2 0.08 -0.01 0.08 -0.04 1.64 1.75 2r9eA1 LEU 299 HB3 0.08 0.13 0.12 -0.04 1.64 1.93 2r9eA1 LEU 299 HG 0.28 -0.01 -0.19 -0.04 1.64 1.68 2r9eA1 LEU 299 HD13 0.30 -0.02 0.01 -0.04 0.93 1.18 2r9eA1 LEU 299 HD23 0.24 0.00 -0.08 -0.04 0.89 1.01 2r9eA1 GLU 300 H 0.03 0.52 -0.27 -0.55 8.60 8.33 2r9eA1 GLU 300 HA 0.16 -0.02 0.32 -0.75 4.29 4.00 2r9eA1 GLU 300 HB2 0.09 0.09 0.11 -0.04 2.09 2.34 2r9eA1 GLU 300 HB3 0.06 0.16 0.16 -0.04 1.99 2.33 2r9eA1 GLU 300 HG2 0.13 -0.04 -0.16 -0.04 2.34 2.23 2r9eA1 GLU 300 HG3 -0.11 -0.06 0.02 -0.04 2.34 2.16 2r9eA1 ASP 301 H -0.18 0.43 -0.29 -0.55 8.40 7.81 2r9eA1 ASP 301 HA -0.05 -0.01 0.46 -0.75 4.63 4.28 2r9eA1 ASP 301 HB2 -0.14 -0.05 0.11 -0.04 2.71 2.59 2r9eA1 ASP 301 HB3 -0.23 0.16 0.20 -0.04 2.70 2.80 2r9eA1 PHE 302 H -0.54 0.42 -0.10 -0.55 8.34 7.56 2r9eA1 PHE 302 HA -0.18 0.03 0.44 -0.75 4.62 4.15 2r9eA1 PHE 302 HB2 -0.74 0.10 0.11 -0.04 3.15 2.58 2r9eA1 PHE 302 HB3 -0.79 -0.03 0.01 -0.04 3.06 2.20 2r9eA1 PHE 302 HD2 -0.12 -0.01 -0.06 -0.04 7.28 7.05 2r9eA1 PHE 302 HE2 -0.01 -0.05 -0.05 -0.04 7.38 7.23 2r9eA1 PHE 302 HZ -0.00 -0.01 0.01 -0.04 7.32 7.27 2r9eA1 GLY 303 H -0.22 0.63 -0.12 -0.55 8.43 8.17 2r9eA1 GLY 303 HA2 -0.10 0.01 0.38 -0.51 4.01 3.79 2r9eA1 GLY 303 HA3 -0.53 0.06 0.25 -0.51 4.01 3.28 2r9eA1 ILE 304 H 0.14 0.61 -0.08 -0.55 8.25 8.37 2r9eA1 ILE 304 HA 0.17 0.08 0.42 -0.75 4.18 4.10 2r9eA1 ILE 304 HB 0.12 0.09 0.15 -0.04 1.89 2.21 2r9eA1 ILE 304 HG12 0.14 -0.05 0.07 -0.04 1.49 1.61 2r9eA1 ILE 304 HG13 0.32 0.07 0.09 -0.04 1.21 1.65 2r9eA1 ILE 304 HG23 0.11 -0.01 -0.03 -0.04 0.93 0.95 2r9eA1 ILE 304 HD13 0.25 -0.02 -0.00 -0.04 0.88 1.07 2r9eA1 LYS 305 H 0.03 0.46 -0.15 -0.55 8.42 8.20 2r9eA1 LYS 305 HA 0.03 0.00 0.48 -0.75 4.32 4.07 2r9eA1 LYS 305 HB2 0.05 0.11 0.17 -0.04 1.87 2.17 2r9eA1 LYS 305 HB3 0.04 -0.04 0.04 -0.04 1.79 1.79 2r9eA1 LYS 305 HG2 0.04 -0.05 0.05 -0.04 1.46 1.45 2r9eA1 LYS 305 HG3 0.03 0.06 0.09 -0.04 1.46 1.60 2r9eA1 LYS 305 HD2 0.06 0.01 -0.06 -0.04 1.69 1.66 2r9eA1 LYS 305 HD3 0.07 -0.02 0.00 -0.04 1.68 1.69 2r9eA1 LYS 305 HE2 0.04 -0.03 -0.01 -0.04 2.99 2.95 2r9eA1 LYS 305 HE3 0.03 -0.01 0.01 -0.04 2.99 2.97 2r9eA1 ALA 306 H -0.07 0.50 -0.13 -0.55 8.40 8.16 2r9eA1 ALA 306 HA -0.15 0.07 0.62 -0.75 4.34 4.12 2r9eA1 ALA 306 HB3 -0.43 -0.01 0.08 -0.04 1.41 1.01 2r9eA1 PHE 307 H -0.00 0.40 -0.09 -0.55 8.34 8.10 2r9eA1 PHE 307 HA 0.02 0.18 0.80 -0.75 4.62 4.85 2r9eA1 PHE 307 HB2 0.06 0.19 0.01 -0.04 3.15 3.36 2r9eA1 PHE 307 HB3 0.05 -0.12 0.05 -0.04 3.06 3.00 2r9eA1 PHE 307 HD2 -0.07 0.03 -0.02 -0.04 7.28 7.18 2r9eA1 PHE 307 HE2 0.07 -0.01 -0.05 -0.04 7.38 7.34 2r9eA1 PHE 307 HZ -0.07 0.03 -0.09 -0.04 7.32 7.16 2r9eA1 GLY 308 H -0.01 0.54 0.13 -0.55 8.43 8.54 2r9eA1 GLY 308 HA2 -0.79 0.01 0.37 -0.51 4.01 3.09 2r9eA1 GLY 308 HA3 -0.15 0.13 0.38 -0.51 4.01 3.87 2r9eA1 SER 309 H 0.03 0.21 -0.21 -0.55 8.46 7.95 2r9eA1 SER 309 HA 0.09 0.05 0.30 -0.75 4.49 4.18 2r9eA1 SER 309 HB2 0.05 -0.01 0.09 -0.04 3.95 4.04 2r9eA1 SER 309 HB3 0.05 0.00 0.08 -0.04 3.93 4.01 2r9eA1 LYS 310 H 0.09 0.30 -0.51 -0.55 8.42 7.75 2r9eA1 LYS 310 HA 0.09 0.15 0.81 -0.75 4.32 4.62 2r9eA1 LYS 310 HB2 0.16 0.08 0.08 -0.04 1.87 2.15 2r9eA1 LYS 310 HB3 0.10 -0.03 0.15 -0.04 1.79 1.97 2r9eA1 LYS 310 HG2 0.13 0.03 0.01 -0.04 1.46 1.59 2r9eA1 LYS 310 HG3 0.13 -0.02 0.02 -0.04 1.46 1.55 2r9eA1 LYS 310 HD2 0.07 -0.02 -0.39 -0.04 1.69 1.32 2r9eA1 LYS 310 HD3 0.07 -0.01 -0.06 -0.04 1.68 1.63 2r9eA1 LYS 310 HE2 0.06 -0.03 0.01 -0.04 2.99 2.99 2r9eA1 LYS 310 HE3 0.07 0.03 0.06 -0.04 2.99 3.11 2r9eA1 GLY 311 H 0.14 0.57 -0.27 -0.55 8.43 8.33 2r9eA1 GLY 311 HA2 0.44 0.12 0.27 -0.51 4.01 4.33 2r9eA1 GLY 311 HA3 0.21 0.01 0.50 -0.51 4.01 4.23 2r9eA1 ILE 312 H 0.04 0.44 -0.21 -0.55 8.25 7.97 2r9eA1 ILE 312 HA 0.15 0.07 0.83 -0.75 4.18 4.47 2r9eA1 ILE 312 HB 0.14 0.07 0.02 -0.04 1.89 2.09 2r9eA1 ILE 312 HG12 0.04 -0.09 -0.05 -0.04 1.49 1.35 2r9eA1 ILE 312 HG13 0.09 0.17 -0.37 -0.04 1.21 1.06 2r9eA1 ILE 312 HG23 0.02 -0.04 -0.26 -0.04 0.93 0.61 2r9eA1 ILE 312 HD13 -0.02 -0.01 -0.05 -0.04 0.88 0.77 2r9eA1 TYR 313 H 0.15 0.19 -0.01 -0.55 8.29 8.07 2r9eA1 TYR 313 HA -0.21 0.20 0.67 -0.75 4.56 4.47 2r9eA1 TYR 313 HB2 -0.13 0.15 -0.49 -0.04 3.06 2.55 2r9eA1 TYR 313 HB3 -0.38 -0.03 -0.14 -0.04 2.98 2.39 2r9eA1 TYR 313 HD2 0.05 0.04 -0.43 -0.04 7.15 6.77 2r9eA1 TYR 313 HE2 0.10 0.09 -0.03 -0.04 6.85 6.97 2r9eA1 PRO 314 HA -0.95 0.29 0.64 -0.51 4.44 3.92 2r9eA1 PRO 314 HB2 -1.04 -0.10 0.08 -0.04 2.28 1.17 2r9eA1 PRO 314 HB3 -0.62 0.05 0.10 -0.04 2.02 1.51 2r9eA1 PRO 314 HG2 -0.49 0.04 0.05 -0.04 2.03 1.59 2r9eA1 PRO 314 HG3 -1.37 0.09 0.05 -0.04 2.03 0.76 2r9eA1 PRO 314 HD2 -0.71 0.04 0.16 -0.04 3.68 3.14 2r9eA1 PRO 314 HD3 -0.80 0.18 0.14 -0.04 3.65 3.13 2r9eA1 ASN 315 H -0.13 0.72 0.33 -0.55 8.53 8.90 2r9eA1 ASN 315 HA -0.05 0.11 0.84 -0.75 4.76 4.90 2r9eA1 ASN 315 HB2 0.24 -0.17 0.17 -0.04 2.88 3.08 2r9eA1 ASN 315 HB3 0.18 0.29 -0.00 -0.04 2.79 3.21 2r9eA1 ASN 315 HD21 0.17 -0.15 -0.22 -0.04 7.03 6.79 2r9eA1 ASN 315 HD22 0.16 0.56 -0.40 -0.04 7.74 8.02 2r9eA1 THR 316 H 0.09 0.19 0.11 -0.55 8.28 8.13 2r9eA1 THR 316 HA 0.12 0.04 0.30 -0.75 4.39 4.09 2r9eA1 THR 316 HB 0.04 -0.02 0.10 -0.04 4.32 4.40 2r9eA1 THR 316 HG23 0.24 0.03 -0.03 -0.04 1.22 1.42 2r9eA1 ASP 317 H 0.16 0.14 -0.30 -0.55 8.40 7.85 2r9eA1 ASP 317 HA 0.06 0.05 0.28 -0.75 4.63 4.26 2r9eA1 ASP 317 HB2 0.17 0.06 -0.08 -0.04 2.71 2.82 2r9eA1 ASP 317 HB3 0.15 -0.01 -0.37 -0.04 2.70 2.43 2r9eA1 TYR 318 H 0.15 0.47 -0.30 -0.55 8.29 8.06 2r9eA1 TYR 318 HA -0.00 0.09 0.39 -0.75 4.56 4.29 2r9eA1 TYR 318 HB2 -0.10 0.22 0.26 -0.04 3.06 3.40 2r9eA1 TYR 318 HB3 -0.32 -0.01 0.06 -0.04 2.98 2.67 2r9eA1 TYR 318 HD2 -0.92 0.00 -0.11 -0.04 7.15 6.08 2r9eA1 TYR 318 HE2 -0.06 0.04 -0.11 -0.04 6.85 6.67 2r9eA1 PHE 319 H 0.13 0.20 -0.12 -0.55 8.34 8.00 2r9eA1 PHE 319 HA 0.07 0.25 0.93 -0.75 4.62 5.12 2r9eA1 PHE 319 HB2 0.12 0.00 -0.07 -0.04 3.15 3.17 2r9eA1 PHE 319 HB3 0.12 0.02 -0.14 -0.04 3.06 3.02 2r9eA1 PHE 319 HD2 0.17 -0.02 -0.03 -0.04 7.28 7.36 2r9eA1 PHE 319 HE2 -0.00 0.01 -0.09 -0.04 7.38 7.26 2r9eA1 PHE 319 HZ 0.10 0.03 -0.08 -0.04 7.32 7.32 2r9eA1 SER 320 H -0.23 0.25 -0.07 -0.55 8.46 7.87 2r9eA1 SER 320 HA -0.93 0.05 0.27 -0.75 4.49 3.13 2r9eA1 SER 320 HB2 -0.79 0.01 0.01 -0.04 3.95 3.14 2r9eA1 SER 320 HB3 -1.13 0.14 0.07 -0.04 3.93 2.97 2r9eA1 GLY 321 H -0.12 0.24 -0.13 -0.55 8.43 7.87 2r9eA1 GLY 321 HA2 -0.57 0.02 0.42 -0.51 4.01 3.37 2r9eA1 GLY 321 HA3 -0.11 0.15 0.29 -0.51 4.01 3.83 2r9eA1 ILE 322 H -0.01 0.21 -0.45 -0.55 8.25 7.45 2r9eA1 ILE 322 HA 0.06 0.08 0.37 -0.75 4.18 3.94 2r9eA1 ILE 322 HB 0.20 0.14 0.11 -0.04 1.89 2.30 2r9eA1 ILE 322 HG12 0.17 0.00 -0.06 -0.04 1.49 1.56 2r9eA1 ILE 322 HG13 0.19 -0.06 -0.03 -0.04 1.21 1.26 2r9eA1 ILE 322 HG23 0.17 0.00 -0.07 -0.04 0.93 1.00 2r9eA1 ILE 322 HD13 0.14 0.00 -0.02 -0.04 0.88 0.96 2r9eA1 VAL 323 H -0.11 0.32 -0.16 -0.55 8.24 7.74 2r9eA1 VAL 323 HA 0.02 0.05 0.30 -0.75 4.13 3.75 2r9eA1 VAL 323 HB -0.27 0.12 0.16 -0.04 2.12 2.08 2r9eA1 VAL 323 HG13 0.04 -0.01 -0.19 -0.04 0.97 0.77 2r9eA1 VAL 323 HG23 0.13 0.02 -0.03 -0.04 0.95 1.03 2r9eA1 TYR 324 H -0.31 0.50 -0.10 -0.55 8.29 7.82 2r9eA1 TYR 324 HA 0.20 0.00 0.30 -0.75 4.56 4.31 2r9eA1 TYR 324 HB2 -0.71 0.07 0.09 -0.04 3.06 2.47 2r9eA1 TYR 324 HB3 0.12 -0.00 -0.05 -0.04 2.98 3.01 2r9eA1 TYR 324 HD2 -0.06 -0.03 -0.10 -0.04 7.15 6.92 2r9eA1 TYR 324 HE2 0.11 -0.02 -0.10 -0.04 6.85 6.79 2r9eA1 MET 325 H -0.06 0.54 -0.21 -0.55 8.47 8.19 2r9eA1 MET 325 HA 0.30 0.35 0.53 -0.75 4.52 4.95 2r9eA1 MET 325 HB2 0.18 0.01 0.10 -0.04 2.15 2.40 2r9eA1 MET 325 HB3 0.10 0.03 0.11 -0.04 2.03 2.23 2r9eA1 MET 325 HG2 0.12 -0.02 -0.19 -0.04 2.63 2.50 2r9eA1 MET 325 HG3 0.21 0.04 0.02 -0.04 2.56 2.78 2r9eA1 MET 325 HE3 0.22 -0.01 -0.02 -0.04 2.10 2.24 2r9eA1 SER 326 H 0.08 0.52 -0.20 -0.55 8.46 8.32 2r9eA1 SER 326 HA 0.05 0.03 0.42 -0.75 4.49 4.22 2r9eA1 SER 326 HB2 0.05 0.08 0.05 -0.04 3.95 4.09 2r9eA1 SER 326 HB3 0.02 -0.03 -0.17 -0.04 3.93 3.71 2r9eA1 ILE 327 H 0.15 0.40 -0.20 -0.55 8.25 8.05 2r9eA1 ILE 327 HA 0.05 -0.04 0.51 -0.75 4.18 3.95 2r9eA1 ILE 327 HB 0.39 0.13 0.15 -0.04 1.89 2.52 2r9eA1 ILE 327 HG12 0.27 -0.05 -0.09 -0.04 1.49 1.59 2r9eA1 ILE 327 HG13 0.23 -0.05 0.04 -0.04 1.21 1.38 2r9eA1 ILE 327 HG23 0.30 -0.03 -0.10 -0.04 0.93 1.05 2r9eA1 ILE 327 HD13 0.09 0.00 -0.06 -0.04 0.88 0.87 2r9eA1 GLY 328 H 0.08 0.30 -0.42 -0.55 8.43 7.84 2r9eA1 GLY 328 HA2 -0.16 0.02 0.23 -0.51 4.01 3.59 2r9eA1 GLY 328 HA3 -0.59 0.15 0.82 -0.51 4.01 3.89 2r9eA1 PHE 329 H 0.32 0.38 0.09 -0.55 8.34 8.58 2r9eA1 PHE 329 HA 0.32 0.19 0.58 -0.75 4.62 4.97 2r9eA1 PHE 329 HB2 0.43 -0.08 -0.08 -0.04 3.15 3.38 2r9eA1 PHE 329 HB3 0.32 0.00 -0.09 -0.04 3.06 3.25 2r9eA1 PHE 329 HD2 -0.04 0.05 -0.04 -0.04 7.28 7.22 2r9eA1 PHE 329 HE2 -0.48 -0.01 -0.10 -0.04 7.38 6.75 2r9eA1 PHE 329 HZ -0.46 -0.03 -0.11 -0.04 7.32 6.68 2r9eA1 PRO 330 HA 0.21 0.09 0.47 -0.51 4.44 4.70 2r9eA1 PRO 330 HB2 0.09 -0.01 -0.12 -0.04 2.28 2.21 2r9eA1 PRO 330 HB3 0.14 0.09 0.04 -0.04 2.02 2.25 2r9eA1 PRO 330 HG2 0.19 -0.06 -0.03 -0.04 2.03 2.10 2r9eA1 PRO 330 HG3 0.21 0.13 0.01 -0.04 2.03 2.34 2r9eA1 PRO 330 HD2 0.64 0.02 0.19 -0.04 3.68 4.49 2r9eA1 PRO 330 HD3 0.41 0.34 0.24 -0.04 3.65 4.60 2r9eA1 LEU 331 H 0.10 0.20 0.08 -0.55 8.37 8.20 2r9eA1 LEU 331 HA -0.34 0.01 0.60 -0.75 4.35 3.86 2r9eA1 LEU 331 HB2 0.17 0.04 0.09 -0.04 1.64 1.89 2r9eA1 LEU 331 HB3 0.05 0.05 0.22 -0.04 1.64 1.92 2r9eA1 LEU 331 HG 0.14 -0.04 -0.02 -0.04 1.64 1.67 2r9eA1 LEU 331 HD13 0.05 0.01 -0.07 -0.04 0.93 0.88 2r9eA1 LEU 331 HD23 -0.04 -0.01 -0.15 -0.04 0.89 0.65 2r9eA1 ARG 332 H -0.21 0.35 0.15 -0.55 8.46 8.19 2r9eA1 ARG 332 HA -0.06 0.06 0.50 -0.75 4.34 4.09 2r9eA1 ARG 332 HB2 -0.03 0.05 0.02 -0.04 1.90 1.90 2r9eA1 ARG 332 HB3 -0.02 0.18 -0.15 -0.04 1.80 1.77 2r9eA1 ARG 332 HG2 0.00 -0.12 -0.47 -0.04 1.67 1.04 2r9eA1 ARG 332 HG3 -0.02 0.01 -0.24 -0.04 1.67 1.39 2r9eA1 ARG 332 HD2 0.01 -0.01 -0.15 -0.04 3.22 3.03 2r9eA1 ARG 332 HD3 0.02 0.05 -0.13 -0.04 3.22 3.12 2r9eA1 ASN 333 H -0.04 0.23 0.12 -0.55 8.53 8.29 2r9eA1 ASN 333 HA -0.03 0.12 0.30 -0.75 4.76 4.39 2r9eA1 ASN 333 HB2 -0.03 0.09 -0.22 -0.04 2.88 2.68 2r9eA1 ASN 333 HB3 -0.03 0.09 0.20 -0.04 2.79 3.02 2r9eA1 ASN 333 HD21 -0.05 0.06 0.09 -0.04 7.03 7.08 2r9eA1 ASN 333 HD22 -0.03 0.37 -0.12 -0.04 7.74 7.91 2r9eA1 ASN 334 H -0.08 0.10 -0.35 -0.55 8.53 7.66 2r9eA1 ASN 334 HA -0.06 -0.01 0.30 -0.75 4.76 4.24 2r9eA1 ASN 334 HB2 -0.03 0.04 -0.29 -0.04 2.88 2.56 2r9eA1 ASN 334 HB3 -0.03 -0.12 0.28 -0.04 2.79 2.88 2r9eA1 ASN 334 HD21 -0.02 0.22 0.10 -0.04 7.03 7.28 2r9eA1 ASN 334 HD22 -0.02 -0.11 0.06 -0.04 7.74 7.63 2r9eA1 ILE 335 H -0.14 0.54 -0.17 -0.55 8.25 7.93 2r9eA1 ILE 335 HA -0.04 0.06 0.45 -0.75 4.18 3.89 2r9eA1 ILE 335 HB -0.18 0.08 0.14 -0.04 1.89 1.89 2r9eA1 ILE 335 HG12 0.11 -0.02 0.01 -0.04 1.49 1.54 2r9eA1 ILE 335 HG13 -0.01 0.03 0.02 -0.04 1.21 1.21 2r9eA1 ILE 335 HG23 0.05 -0.00 -0.16 -0.04 0.93 0.77 2r9eA1 ILE 335 HD13 0.18 0.03 -0.02 -0.04 0.88 1.03 2r9eA1 TYR 336 H -0.30 0.11 -0.20 -0.55 8.29 7.35 2r9eA1 TYR 336 HA -0.24 0.14 0.37 -0.75 4.56 4.07 2r9eA1 TYR 336 HB2 0.08 -0.05 -0.26 -0.04 3.06 2.79 2r9eA1 TYR 336 HB3 0.24 -0.01 -0.10 -0.04 2.98 3.06 2r9eA1 TYR 336 HD2 0.01 0.04 -0.06 -0.04 7.15 7.10 2r9eA1 TYR 336 HE2 0.20 0.03 -0.20 -0.04 6.85 6.84 2r9eA1 THR 337 H 0.05 0.12 -0.36 -0.55 8.28 7.55 2r9eA1 THR 337 HA 0.07 0.07 0.55 -0.75 4.39 4.33 2r9eA1 THR 337 HB -0.02 0.11 0.03 -0.04 4.32 4.39 2r9eA1 THR 337 HG23 -0.12 -0.00 -0.29 -0.04 1.22 0.77 2r9eA1 ALA 338 H -0.04 0.41 -0.17 -0.55 8.40 8.05 2r9eA1 ALA 338 HA -0.04 0.00 0.49 -0.75 4.34 4.04 2r9eA1 ALA 338 HB3 -0.04 0.05 -0.01 -0.04 1.41 1.37 2r9eA1 LEU 339 H -0.18 0.38 -0.33 -0.55 8.37 7.69 2r9eA1 LEU 339 HA -0.29 0.09 0.49 -0.75 4.35 3.89 2r9eA1 LEU 339 HB2 -0.87 0.06 0.05 -0.04 1.64 0.84 2r9eA1 LEU 339 HB3 -0.68 -0.04 -0.02 -0.04 1.64 0.86 2r9eA1 LEU 339 HG -0.48 0.25 -0.04 -0.04 1.64 1.33 2r9eA1 LEU 339 HD13 -1.30 -0.02 -0.09 -0.04 0.93 -0.52 2r9eA1 LEU 339 HD23 -0.54 0.00 -0.11 -0.04 0.89 0.20 2r9eA1 PHE 340 H 0.00 0.41 -0.15 -0.55 8.34 8.06 2r9eA1 PHE 340 HA -0.49 0.03 0.50 -0.75 4.62 3.90 2r9eA1 PHE 340 HB2 -0.36 0.03 0.16 -0.04 3.15 2.93 2r9eA1 PHE 340 HB3 -0.27 0.22 0.20 -0.04 3.06 3.17 2r9eA1 PHE 340 HD2 -0.39 0.01 -0.07 -0.04 7.28 6.80 2r9eA1 PHE 340 HE2 -0.07 0.02 -0.06 -0.04 7.38 7.23 2r9eA1 PHE 340 HZ 0.14 -0.04 -0.05 -0.04 7.32 7.33 2r9eA1 ALA 341 H -0.06 0.48 -0.27 -0.55 8.40 8.00 2r9eA1 ALA 341 HA -0.34 -0.05 0.19 -0.75 4.34 3.38 2r9eA1 ALA 341 HB3 0.02 0.03 0.03 -0.04 1.41 1.45 2r9eA1 LEU 342 H -0.12 0.56 -0.24 -0.55 8.37 8.02 2r9eA1 LEU 342 HA -0.09 0.01 0.38 -0.75 4.35 3.89 2r9eA1 LEU 342 HB2 -0.25 0.06 0.09 -0.04 1.64 1.50 2r9eA1 LEU 342 HB3 -0.23 0.14 0.11 -0.04 1.64 1.63 2r9eA1 LEU 342 HG -0.15 -0.03 -0.29 -0.04 1.64 1.12 2r9eA1 LEU 342 HD13 -0.17 0.01 -0.14 -0.04 0.93 0.59 2r9eA1 LEU 342 HD23 -1.06 -0.01 -0.07 -0.04 0.89 -0.29 2r9eA1 SER 343 H -0.07 0.41 -0.31 -0.55 8.46 7.94 2r9eA1 SER 343 HA -0.06 -0.02 0.43 -0.75 4.49 4.08 2r9eA1 SER 343 HB2 0.09 -0.06 0.06 -0.04 3.95 4.00 2r9eA1 SER 343 HB3 0.04 0.16 0.12 -0.04 3.93 4.21 2r9eA1 ARG 344 H -0.26 0.46 -0.05 -0.55 8.46 8.06 2r9eA1 ARG 344 HA -0.36 0.27 0.26 -0.75 4.34 3.75 2r9eA1 ARG 344 HB2 -0.06 0.09 0.04 -0.04 1.90 1.93 2r9eA1 ARG 344 HB3 -0.91 -0.00 0.01 -0.04 1.80 0.86 2r9eA1 ARG 344 HG2 -0.44 -0.12 -0.07 -0.04 1.67 1.01 2r9eA1 ARG 344 HG3 -2.37 -0.08 -0.09 -0.04 1.67 -0.91 2r9eA1 ARG 344 HD2 -0.08 -0.16 -0.03 -0.04 3.22 2.91 2r9eA1 ARG 344 HD3 -0.36 0.16 0.14 -0.04 3.22 3.12 2r9eA1 VAL 345 H -0.44 0.50 -0.41 -0.55 8.24 7.35 2r9eA1 VAL 345 HA -0.12 -0.07 0.36 -0.75 4.13 3.54 2r9eA1 VAL 345 HB -0.04 0.13 0.07 -0.04 2.12 2.22 2r9eA1 VAL 345 HG13 -0.03 0.07 -0.07 -0.04 0.97 0.89 2r9eA1 VAL 345 HG23 0.19 -0.03 -0.03 -0.04 0.95 1.03 2r9eA1 THR 346 H -0.24 0.45 -0.30 -0.55 8.28 7.64 2r9eA1 THR 346 HA -0.09 0.02 0.41 -0.75 4.39 3.97 2r9eA1 THR 346 HB -0.33 0.09 0.15 -0.04 4.32 4.19 2r9eA1 THR 346 HG23 -0.16 -0.03 -0.07 -0.04 1.22 0.92 2r9eA1 GLY 347 H -0.39 0.47 0.08 -0.55 8.43 8.05 2r9eA1 GLY 347 HA2 -0.27 -0.04 0.42 -0.51 4.01 3.61 2r9eA1 GLY 347 HA3 -0.23 0.13 0.43 -0.51 4.01 3.82 2r9eA1 TRP 348 H -0.20 0.63 -0.09 -0.55 7.97 7.77 2r9eA1 TRP 348 HA -0.43 -0.02 0.38 -0.75 4.62 3.80 2r9eA1 TRP 348 HB2 -0.22 0.13 0.12 -0.04 3.23 3.22 2r9eA1 TRP 348 HB3 -0.54 -0.03 -0.06 -0.04 3.23 2.56 2r9eA1 TRP 348 HD1 -0.07 -0.04 -0.07 -0.04 7.22 7.00 2r9eA1 TRP 348 HE1 0.04 -0.19 -0.15 -0.04 10.20 9.85 2r9eA1 TRP 348 HE3 0.00 0.03 -0.04 -0.04 7.59 7.54 2r9eA1 TRP 348 HZ2 -0.17 -0.09 -0.14 -0.04 7.44 7.00 2r9eA1 TRP 348 HZ3 -0.01 0.04 -0.08 -0.04 7.13 7.04 2r9eA1 TRP 348 HH2 -0.11 -0.03 -0.14 -0.04 7.19 6.86 2r9eA1 GLN 349 H -0.05 0.59 -0.14 -0.55 8.47 8.32 2r9eA1 GLN 349 HA -0.10 -0.04 0.27 -0.75 4.36 3.74 2r9eA1 GLN 349 HB2 -0.00 0.14 0.14 -0.04 2.15 2.39 2r9eA1 GLN 349 HB3 0.06 -0.08 -0.00 -0.04 2.02 1.96 2r9eA1 GLN 349 HG2 0.10 -0.09 0.00 -0.04 2.40 2.38 2r9eA1 GLN 349 HG3 0.07 0.23 0.11 -0.04 2.39 2.76 2r9eA1 GLN 349 HE21 0.04 0.16 0.03 -0.04 6.97 7.15 2r9eA1 GLN 349 HE22 0.02 0.09 -0.08 -0.04 7.69 7.68 2r9eA1 ALA 350 H -0.04 0.59 -0.14 -0.55 8.40 8.26 2r9eA1 ALA 350 HA 0.01 0.02 0.44 -0.75 4.34 4.05 2r9eA1 ALA 350 HB3 0.07 0.03 0.04 -0.04 1.41 1.51 2r9eA1 HIS 351 H 0.03 0.74 -0.11 -0.55 8.41 8.52 2r9eA1 HIS 351 HA 0.05 -0.01 0.58 -0.75 4.63 4.50 2r9eA1 HIS 351 HB2 -0.04 0.12 0.15 -0.04 3.26 3.45 2r9eA1 HIS 351 HB3 0.07 -0.04 -0.04 -0.04 3.20 3.15 2r9eA1 HIS 351 HD2 0.07 0.12 -0.00 -0.04 6.97 7.11 2r9eA1 HIS 351 HE1 0.10 -0.11 -0.02 -0.04 7.75 7.68 2r9eA1 PHE 352 H -0.06 0.55 -0.07 -0.55 8.34 8.21 2r9eA1 PHE 352 HA 0.02 0.05 0.38 -0.75 4.62 4.32 2r9eA1 PHE 352 HB2 0.28 0.05 0.09 -0.04 3.15 3.53 2r9eA1 PHE 352 HB3 0.21 -0.04 -0.02 -0.04 3.06 3.18 2r9eA1 PHE 352 HD2 0.09 -0.04 -0.13 -0.04 7.28 7.17 2r9eA1 PHE 352 HE2 -0.05 0.03 -0.21 -0.04 7.38 7.11 2r9eA1 PHE 352 HZ -0.35 -0.00 -0.16 -0.04 7.32 6.77 2r9eA1 ILE 353 H 0.23 0.66 -0.11 -0.55 8.25 8.48 2r9eA1 ILE 353 HA 0.23 -0.05 0.44 -0.75 4.18 4.05 2r9eA1 ILE 353 HB 0.11 0.18 0.18 -0.04 1.89 2.32 2r9eA1 ILE 353 HG12 0.40 -0.13 0.02 -0.04 1.49 1.74 2r9eA1 ILE 353 HG13 0.44 0.01 0.05 -0.04 1.21 1.67 2r9eA1 ILE 353 HG23 0.08 -0.02 -0.11 -0.04 0.93 0.85 2r9eA1 ILE 353 HD13 0.10 0.00 -0.14 -0.04 0.88 0.80 2r9eA1 GLU 354 H 0.04 0.51 -0.17 -0.55 8.60 8.44 2r9eA1 GLU 354 HA -0.02 -0.01 0.38 -0.75 4.29 3.88 2r9eA1 GLU 354 HB2 -0.04 0.09 0.16 -0.04 2.09 2.27 2r9eA1 GLU 354 HB3 -0.05 0.10 0.19 -0.04 1.99 2.19 2r9eA1 GLU 354 HG2 -0.38 0.06 -0.07 -0.04 2.34 1.91 2r9eA1 GLU 354 HG3 0.04 -0.02 0.05 -0.04 2.34 2.37 2r9eA1 TYR 355 H 0.07 0.45 -0.31 -0.55 8.29 7.95 2r9eA1 TYR 355 HA -0.31 0.04 0.31 -0.75 4.56 3.85 2r9eA1 TYR 355 HB2 -0.08 0.04 0.09 -0.04 3.06 3.06 2r9eA1 TYR 355 HB3 -0.14 0.03 0.13 -0.04 2.98 2.95 2r9eA1 TYR 355 HD2 -0.22 -0.04 -0.12 -0.04 7.15 6.73 2r9eA1 TYR 355 HE2 -0.14 0.07 0.06 -0.04 6.85 6.80 2r9eA1 VAL 356 H -0.16 0.59 0.01 -0.55 8.24 8.13 2r9eA1 VAL 356 HA -0.33 0.04 0.34 -0.75 4.13 3.43 2r9eA1 VAL 356 HB -0.75 0.00 0.15 -0.04 2.12 1.48 2r9eA1 VAL 356 HG13 -0.84 -0.02 -0.09 -0.04 0.97 -0.02 2r9eA1 VAL 356 HG23 -1.09 0.03 0.02 -0.04 0.95 -0.13 2r9eA1 GLU 357 H -0.13 0.52 -0.10 -0.55 8.60 8.35 2r9eA1 GLU 357 HA -0.04 -0.02 0.36 -0.75 4.29 3.83 2r9eA1 GLU 357 HB2 -0.00 0.23 0.12 -0.04 2.09 2.41 2r9eA1 GLU 357 HB3 0.02 -0.04 -0.01 -0.04 1.99 1.93 2r9eA1 GLU 357 HG2 0.07 -0.12 0.02 -0.04 2.34 2.26 2r9eA1 GLU 357 HG3 0.09 0.01 0.06 -0.04 2.34 2.45 2r9eA1 GLU 358 H -0.14 0.30 -0.31 -0.55 8.60 7.90 2r9eA1 GLU 358 HA 0.04 0.18 0.93 -0.75 4.29 4.70 2r9eA1 GLU 358 HB2 0.07 0.21 0.08 -0.04 2.09 2.41 2r9eA1 GLU 358 HB3 0.45 -0.06 0.08 -0.04 1.99 2.41 2r9eA1 GLU 358 HG2 0.11 0.05 -0.20 -0.04 2.34 2.25 2r9eA1 GLU 358 HG3 0.08 -0.06 -0.18 -0.04 2.34 2.13 2r9eA1 GLN 359 H -0.33 0.50 0.09 -0.55 8.47 8.19 2r9eA1 GLN 359 HA -0.10 0.12 0.79 -0.75 4.36 4.41 2r9eA1 GLN 359 HB2 -0.34 -0.03 0.19 -0.04 2.15 1.93 2r9eA1 GLN 359 HB3 -0.18 0.00 -0.10 -0.04 2.02 1.70 2r9eA1 GLN 359 HG2 -0.68 0.11 0.04 -0.04 2.40 1.83 2r9eA1 GLN 359 HG3 -0.88 0.01 0.03 -0.04 2.39 1.51 2r9eA1 GLN 359 HE21 -1.42 0.35 0.05 -0.04 6.97 5.90 2r9eA1 GLN 359 HE22 -1.03 0.09 -0.25 -0.04 7.69 6.46 2r9eA1 GLN 360 H -0.28 0.09 0.03 -0.55 8.47 7.76 2r9eA1 GLN 360 HA -0.64 -0.01 0.37 -0.75 4.36 3.33 2r9eA1 GLN 360 HB2 -0.26 0.13 0.24 -0.04 2.15 2.22 2r9eA1 GLN 360 HB3 -0.17 -0.05 0.16 -0.04 2.02 1.92 2r9eA1 GLN 360 HG2 -0.13 -0.04 0.01 -0.04 2.40 2.20 2r9eA1 GLN 360 HG3 -0.10 -0.07 -0.18 -0.04 2.39 2.00 2r9eA1 GLN 360 HE21 -0.00 0.53 -0.02 -0.04 6.97 7.43 2r9eA1 GLN 360 HE22 -0.04 -0.13 -0.10 -0.04 7.69 7.38 2r9eA1 ARG 361 H -0.15 0.27 0.24 -0.55 8.46 8.27 2r9eA1 ARG 361 HA -0.04 -0.01 0.16 -0.75 4.34 3.69 2r9eA1 ARG 361 HB2 -0.06 0.12 0.07 -0.04 1.90 1.99 2r9eA1 ARG 361 HB3 0.02 -0.00 0.04 -0.04 1.80 1.82 2r9eA1 ARG 361 HG2 0.01 0.09 0.04 -0.04 1.67 1.77 2r9eA1 ARG 361 HG3 -0.01 -0.05 0.14 -0.04 1.67 1.70 2r9eA1 ARG 361 HD2 -0.00 -0.02 0.02 -0.04 3.22 3.17 2r9eA1 ARG 361 HD3 0.01 0.01 0.00 -0.04 3.22 3.21 2r9eA1 LEU 362 H 0.00 0.07 0.11 -0.55 8.37 8.00 2r9eA1 LEU 362 HA 0.01 0.14 0.44 -0.75 4.35 4.19 2r9eA1 LEU 362 HB2 -0.00 0.02 0.12 -0.04 1.64 1.74 2r9eA1 LEU 362 HB3 0.00 -0.05 0.08 -0.04 1.64 1.63 2r9eA1 LEU 362 HG -0.01 0.04 -0.45 -0.04 1.64 1.19 2r9eA1 LEU 362 HD13 -0.01 -0.01 -0.05 -0.04 0.93 0.82 2r9eA1 LEU 362 HD23 -0.01 -0.02 -0.06 -0.04 0.89 0.76 2r9eA1 ILE 363 H -0.02 0.12 0.19 -0.55 8.25 7.99 2r9eA1 ILE 363 HA -0.00 0.16 0.87 -0.75 4.18 4.45 2r9eA1 ILE 363 HB -0.09 -0.04 0.19 -0.04 1.89 1.92 2r9eA1 ILE 363 HG12 -0.02 0.06 -0.01 -0.04 1.49 1.47 2r9eA1 ILE 363 HG13 -0.05 0.12 0.03 -0.04 1.21 1.28 2r9eA1 ILE 363 HG23 -0.06 -0.02 -0.12 -0.04 0.93 0.70 2r9eA1 ILE 363 HD13 -0.33 -0.02 -0.15 -0.04 0.88 0.34 2r9eA1 ARG 364 H -0.01 0.18 -0.08 -0.55 8.46 7.99 2r9eA1 ARG 364 HA -0.02 0.10 0.76 -0.75 4.34 4.43 2r9eA1 ARG 364 HB2 -0.01 -0.03 -0.58 -0.04 1.90 1.24 2r9eA1 ARG 364 HB3 -0.01 -0.01 0.06 -0.04 1.80 1.80 2r9eA1 ARG 364 HG2 -0.01 0.00 0.01 -0.04 1.67 1.63 2r9eA1 ARG 364 HG3 -0.01 -0.06 -0.05 -0.04 1.67 1.51 2r9eA1 ARG 364 HD2 -0.01 -0.04 -0.07 -0.04 3.22 3.06 2r9eA1 ARG 364 HD3 -0.01 0.22 -0.15 -0.04 3.22 3.23 2r9eA1 PRO 365 HA -0.00 0.12 0.54 -0.51 4.44 4.58 2r9eA1 PRO 365 HB2 -0.01 0.07 0.20 -0.04 2.28 2.51 2r9eA1 PRO 365 HB3 -0.01 0.00 0.10 -0.04 2.02 2.07 2r9eA1 PRO 365 HG2 -0.01 0.05 -0.06 -0.04 2.03 1.97 2r9eA1 PRO 365 HG3 -0.02 0.00 0.01 -0.04 2.03 1.98 2r9eA1 PRO 365 HD2 -0.02 0.11 0.10 -0.04 3.68 3.83 2r9eA1 PRO 365 HD3 -0.02 0.10 -0.05 -0.04 3.65 3.64 2r9eA1 ARG 366 H 0.00 0.15 0.19 -0.55 8.46 8.25 2r9eA1 ARG 366 HA 0.00 0.17 0.70 -0.75 4.34 4.47 2r9eA1 ARG 366 HB2 0.01 -0.01 0.01 -0.04 1.90 1.86 2r9eA1 ARG 366 HB3 0.01 0.04 0.16 -0.04 1.80 1.97 2r9eA1 ARG 366 HG2 0.00 -0.04 -0.22 -0.04 1.67 1.37 2r9eA1 ARG 366 HG3 0.00 0.00 -0.02 -0.04 1.67 1.62 2r9eA1 ARG 366 HD2 -0.00 0.24 -0.05 -0.04 3.22 3.37 2r9eA1 ARG 366 HD3 -0.00 -0.03 -0.03 -0.04 3.22 3.13 2r9eA1 ALA 367 H 0.02 0.26 0.17 -0.55 8.40 8.30 2r9eA1 ALA 367 HA 0.02 0.12 0.62 -0.75 4.34 4.34 2r9eA1 ALA 367 HB3 0.03 0.02 -0.03 -0.04 1.41 1.38 2r9eA1 VAL 368 H 0.02 0.13 0.08 -0.55 8.24 7.92 2r9eA1 VAL 368 HA 0.05 0.18 0.77 -0.75 4.13 4.37 2r9eA1 VAL 368 HB 0.01 -0.07 0.07 -0.04 2.12 2.08 2r9eA1 VAL 368 HG13 0.02 0.03 -0.14 -0.04 0.97 0.83 2r9eA1 VAL 368 HG23 0.01 0.05 -0.16 -0.04 0.95 0.82 2r9eA1 TYR 369 H 0.15 0.19 0.14 -0.55 8.29 8.22 2r9eA1 TYR 369 HA -0.00 0.05 0.58 -0.75 4.56 4.44 2r9eA1 TYR 369 HB2 -0.00 0.03 0.05 -0.04 3.06 3.10 2r9eA1 TYR 369 HB3 -0.00 0.03 0.15 -0.04 2.98 3.12 2r9eA1 TYR 369 HD2 0.00 0.02 -0.06 -0.04 7.15 7.07 2r9eA1 TYR 369 HE2 0.00 0.11 -0.16 -0.04 6.85 6.76 2r9eA1 VAL 370 H -0.41 0.13 0.15 -0.55 8.24 7.56 2r9eA1 VAL 370 HA -0.23 0.21 0.75 -0.75 4.13 4.11 2r9eA1 VAL 370 HB -0.12 -0.00 0.18 -0.04 2.12 2.13 2r9eA1 VAL 370 HG13 -0.06 0.02 -0.21 -0.04 0.97 0.67 2r9eA1 VAL 370 HG23 -0.12 -0.00 -0.03 -0.04 0.95 0.75 2r9eA1 GLY 371 H -2.08 -0.00 -0.04 -0.55 8.43 5.76 2r9eA1 GLY 371 HA2 -0.26 0.17 0.70 -0.51 4.01 4.11 2r9eA1 GLY 371 HA3 -0.41 0.01 0.34 -0.51 4.01 3.45 2r9eA1 PRO 372 HA 0.03 -0.01 0.37 -0.51 4.44 4.31 2r9eA1 PRO 372 HB2 0.09 0.05 0.00 -0.04 2.28 2.39 2r9eA1 PRO 372 HB3 0.04 0.03 0.08 -0.04 2.02 2.13 2r9eA1 PRO 372 HG2 0.05 0.02 0.07 -0.04 2.03 2.13 2r9eA1 PRO 372 HG3 0.01 0.03 0.08 -0.04 2.03 2.12 2r9eA1 PRO 372 HD2 0.12 0.08 0.16 -0.04 3.68 4.00 2r9eA1 PRO 372 HD3 -0.02 0.10 0.20 -0.04 3.65 3.89 2r9eA1 ALA 373 H 0.05 0.05 0.13 -0.55 8.40 8.09 2r9eA1 ALA 373 HA 0.12 0.08 0.59 -0.75 4.34 4.38 2r9eA1 ALA 373 HB3 0.04 -0.01 0.10 -0.04 1.41 1.51 2r9eA1 GLU 374 H 0.04 0.05 0.11 -0.55 8.60 8.26 2r9eA1 GLU 374 HA 0.02 0.04 0.32 -0.75 4.29 3.92 2r9eA1 GLU 374 HB2 0.01 0.01 0.12 -0.04 2.09 2.18 2r9eA1 GLU 374 HB3 0.02 -0.03 0.12 -0.04 1.99 2.05 2r9eA1 GLU 374 HG2 0.01 -0.01 -0.32 -0.04 2.34 1.99 2r9eA1 GLU 374 HG3 0.01 0.02 -0.02 -0.04 2.34 2.31 2r9eA1 ARG 375 H 0.03 0.23 0.20 -0.55 8.46 8.37 2r9eA1 ARG 375 HA 0.02 0.09 0.69 -0.75 4.34 4.39 2r9eA1 ARG 375 HB2 0.01 0.00 0.03 -0.04 1.90 1.90 2r9eA1 ARG 375 HB3 0.02 0.08 -0.08 -0.04 1.80 1.77 2r9eA1 ARG 375 HG2 0.04 0.13 -0.06 -0.04 1.67 1.74 2r9eA1 ARG 375 HG3 0.03 -0.04 -0.12 -0.04 1.67 1.49 2r9eA1 ARG 375 HD2 0.00 -0.00 -0.06 -0.04 3.22 3.12 2r9eA1 ARG 375 HD3 0.02 -0.00 -0.06 -0.04 3.22 3.14 2r9eA1 LYS 376 H 0.02 0.13 0.11 -0.55 8.42 8.13 2r9eA1 LYS 376 HA 0.05 0.03 0.45 -0.75 4.32 4.09 2r9eA1 LYS 376 HB2 0.02 -0.03 0.08 -0.04 1.87 1.90 2r9eA1 LYS 376 HB3 0.02 0.00 0.05 -0.04 1.79 1.82 2r9eA1 LYS 376 HG2 0.06 0.26 -0.11 -0.04 1.46 1.63 2r9eA1 LYS 376 HG3 0.04 -0.05 0.05 -0.04 1.46 1.45 2r9eA1 LYS 376 HD2 0.02 -0.04 -0.00 -0.04 1.69 1.63 2r9eA1 LYS 376 HD3 0.02 -0.00 -0.03 -0.04 1.68 1.62 2r9eA1 LYS 376 HE2 0.02 -0.03 0.00 -0.04 2.99 2.94 2r9eA1 LYS 376 HE3 0.03 0.06 0.01 -0.04 2.99 3.06 2r9eA1 TYR 377 H 0.16 0.08 0.17 -0.55 8.29 8.15 2r9eA1 TYR 377 HA 0.00 0.07 0.51 -0.75 4.56 4.39 2r9eA1 TYR 377 HB2 -0.00 0.03 0.11 -0.04 3.06 3.15 2r9eA1 TYR 377 HB3 -0.00 -0.03 0.10 -0.04 2.98 3.01 2r9eA1 TYR 377 HD2 0.00 -0.01 -0.19 -0.04 7.15 6.90 2r9eA1 TYR 377 HE2 -0.00 -0.06 -0.10 -0.04 6.85 6.64 2r9eA1 VAL 378 H -0.58 0.19 0.15 -0.55 8.24 7.44 2r9eA1 VAL 378 HA -0.09 0.18 0.82 -0.75 4.13 4.30 2r9eA1 VAL 378 HB -0.20 -0.05 0.09 -0.04 2.12 1.91 2r9eA1 VAL 378 HG13 -0.09 0.03 -0.25 -0.04 0.97 0.62 2r9eA1 VAL 378 HG23 -0.06 0.04 -0.11 -0.04 0.95 0.78 2r9eA1 PRO 379 HA 0.12 0.08 0.37 -0.51 4.44 4.50 2r9eA1 PRO 379 HB2 0.03 -0.07 -0.02 -0.04 2.28 2.18 2r9eA1 PRO 379 HB3 0.10 0.04 0.09 -0.04 2.02 2.21 2r9eA1 PRO 379 HG2 0.05 0.05 0.06 -0.04 2.03 2.14 2r9eA1 PRO 379 HG3 0.13 0.07 0.03 -0.04 2.03 2.22 2r9eA1 PRO 379 HD2 -0.01 0.08 0.14 -0.04 3.68 3.85 2r9eA1 PRO 379 HD3 0.02 0.26 0.23 -0.04 3.65 4.12 2r9eA1 ILE 380 H 0.05 0.13 0.16 -0.55 8.25 8.04 2r9eA1 ILE 380 HA -0.05 0.14 0.15 -0.75 4.18 3.67 2r9eA1 ILE 380 HB 0.03 0.02 0.13 -0.04 1.89 2.03 2r9eA1 ILE 380 HG12 -0.00 0.03 -0.05 -0.04 1.49 1.43 2r9eA1 ILE 380 HG13 -0.01 0.02 0.07 -0.04 1.21 1.25 2r9eA1 ILE 380 HG23 0.03 0.00 0.02 -0.04 0.93 0.94 2r9eA1 ILE 380 HD13 0.01 0.00 0.01 -0.04 0.88 0.86 2r9eA1 ALA 381 H 0.01 0.01 -0.15 -0.55 8.40 7.73 2r9eA1 ALA 381 HA -0.00 0.10 0.49 -0.75 4.34 4.17 2r9eA1 ALA 381 HB3 0.01 -0.00 0.04 -0.04 1.41 1.41 2r9eA1 GLU 382 H -0.02 0.32 -0.35 -0.55 8.60 8.01 2r9eA1 GLU 382 HA -0.01 0.18 0.71 -0.75 4.29 4.41 2r9eA1 GLU 382 HB2 -0.02 0.07 0.01 -0.04 2.09 2.11 2r9eA1 GLU 382 HB3 -0.02 -0.02 0.15 -0.04 1.99 2.06 2r9eA1 GLU 382 HG2 -0.01 0.01 -0.01 -0.04 2.34 2.29 2r9eA1 GLU 382 HG3 -0.00 -0.05 -0.22 -0.04 2.34 2.02 2r9eA1 ARG 383 H -0.03 0.36 -0.43 -0.55 8.46 7.81 2r9eA1 ARG 383 HA -0.04 0.16 0.44 -0.75 4.34 4.14 2r9eA1 ARG 383 HB2 -0.04 0.12 0.07 -0.04 1.90 2.01 2r9eA1 ARG 383 HB3 -0.04 -0.03 0.04 -0.04 1.80 1.72 2r9eA1 ARG 383 HG2 -0.10 -0.01 -0.10 -0.04 1.67 1.42 2r9eA1 ARG 383 HG3 -0.09 0.11 -0.28 -0.04 1.67 1.36 2r9eA1 ARG 383 HD2 -0.06 -0.02 -0.00 -0.04 3.22 3.09 2r9eA1 ARG 383 HD3 -0.09 -0.03 -0.02 -0.04 3.22 3.04