============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. PHE 10 1.000 25.017 33.925 49.030 -99.200 -91.000 PHE 11 1.000 23.854 41.636 45.404 -99.200 -91.000 TYR 15 0.840 14.648 46.329 49.222 -99.200 -91.000 TYR 16 0.840 14.153 39.310 55.451 -99.200 -91.000 PHE 33 1.000 3.802 29.462 52.282 -99.200 -91.000 HIS 34 0.900 8.780 29.202 58.618 -99.200 -91.000 PHE 54 1.000 19.681 40.499 41.375 -99.200 -91.000 HIS 93 0.900 35.031 42.006 28.426 -99.200 -91.000 PHE 101 1.000 43.023 41.966 22.212 -99.200 -91.000 PHE 105 1.000 29.932 31.397 25.624 -99.200 -91.000 TYR 112 0.840 23.285 21.237 32.329 -99.200 -91.000 HIS 124 0.900 39.512 28.764 27.471 -99.200 -91.000 HIS 128 0.900 43.540 27.331 25.488 -99.200 -91.000 TYR 143 0.840 7.844 29.675 39.863 -99.200 -91.000 TYR 183 0.840 7.880 20.966 25.832 -99.200 -91.000 PHE 185 1.000 10.356 26.606 34.847 -99.200 -91.000 TRP 186 1.040 6.350 25.231 28.066 -99.200 -91.000 TRP6 186 1.020 5.070 23.741 29.395 -99.200 -91.000 HIS 191 0.900 3.389 32.441 27.559 -99.200 -91.000 TYR 193 0.840 4.398 36.314 36.196 -99.200 -91.000 TYR 205 0.840 15.064 17.722 41.917 -99.200 -91.000 PHE 209 1.000 20.079 11.841 43.220 -99.200 -91.000 TRP 213 1.040 23.246 7.038 42.915 -99.200 -91.000 TRP6 213 1.020 25.049 8.017 44.090 -99.200 -91.000 HIS 216 0.900 29.362 9.202 39.543 -99.200 -91.000 PHE 224 1.000 23.373 7.997 47.746 -99.200 -91.000 TYR 227 0.840 30.071 11.075 45.590 -99.200 -91.000 PHE 232 1.000 20.908 16.225 45.835 -99.200 -91.000 HIS 233 0.900 17.741 23.375 40.392 -99.200 -91.000 TYR 236 0.840 9.617 22.359 46.589 -99.200 -91.000 TYR 263 0.840 18.812 18.459 50.968 -99.200 -91.000 TYR 269 0.840 25.247 30.796 53.443 -99.200 -91.000 TYR 277 0.840 14.052 29.863 37.919 -99.200 -91.000 TYR 282 0.840 26.875 25.517 40.226 -99.200 -91.000 PHE 304 1.000 20.095 15.980 40.085 -99.200 -91.000 TYR 306 0.840 15.545 18.768 36.688 -99.200 -91.000 PHE 314 1.000 26.659 12.519 41.315 -99.200 -91.000 PHE 315 1.000 29.290 19.094 38.571 -99.200 -91.000 TYR 323 0.840 37.527 23.455 52.527 -99.200 -91.000 HIS 326 0.900 42.365 30.598 49.721 -99.200 -91.000 HIS 332 0.900 29.138 34.229 50.589 -99.200 -91.000 TYR 347 0.840 5.987 39.484 47.823 -99.200 -91.000 PHE 351 1.000 5.800 38.752 42.040 -99.200 -91.000 TYR 369 0.840 28.697 47.046 39.478 -99.200 -91.000 TYR 381 0.840 22.735 47.322 33.782 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1x9eA1 MET 1 HA -0.00 -0.12 0.25 -0.75 4.52 3.90 1x9eA1 MET 1 HB2 -0.01 0.01 0.06 -0.04 2.15 2.17 1x9eA1 MET 1 HB3 -0.01 0.05 -0.07 -0.04 2.03 1.96 1x9eA1 MET 1 HG2 -0.00 -0.05 0.06 -0.04 2.63 2.60 1x9eA1 MET 1 HG3 -0.01 -0.02 0.05 -0.04 2.56 2.54 1x9eA1 MET 1 HE3 -0.00 0.00 -0.00 -0.04 2.10 2.06 1x9eA1 THR 2 H 0.00 0.05 0.18 -0.55 8.28 7.96 1x9eA1 THR 2 HA 0.01 0.21 0.83 -0.75 4.39 4.68 1x9eA1 THR 2 HB 0.01 -0.01 0.08 -0.04 4.32 4.36 1x9eA1 THR 2 HG23 0.01 0.01 -0.04 -0.04 1.22 1.16 1x9eA1 ILE 3 H 0.01 0.28 0.28 -0.55 8.25 8.27 1x9eA1 ILE 3 HA 0.01 0.25 1.07 -0.75 4.18 4.76 1x9eA1 ILE 3 HB 0.00 -0.02 0.06 -0.04 1.89 1.90 1x9eA1 ILE 3 HG12 -0.01 0.03 -0.28 -0.04 1.49 1.19 1x9eA1 ILE 3 HG13 -0.00 0.08 -0.55 -0.04 1.21 0.69 1x9eA1 ILE 3 HG23 0.01 0.04 -0.09 -0.04 0.93 0.85 1x9eA1 ILE 3 HD13 -0.01 0.02 -0.11 -0.04 0.88 0.74 1x9eA1 GLY 4 H 0.01 0.70 0.38 -0.55 8.43 8.98 1x9eA1 GLY 4 HA2 0.02 -0.02 0.53 -0.51 4.01 4.03 1x9eA1 GLY 4 HA3 0.03 0.36 0.68 -0.51 4.01 4.57 1x9eA1 ILE 5 H 0.05 0.26 0.26 -0.55 8.25 8.27 1x9eA1 ILE 5 HA 0.03 0.19 0.77 -0.75 4.18 4.41 1x9eA1 ILE 5 HB 0.07 -0.08 0.15 -0.04 1.89 1.99 1x9eA1 ILE 5 HG12 0.05 0.02 -0.03 -0.04 1.49 1.49 1x9eA1 ILE 5 HG13 0.06 -0.05 0.07 -0.04 1.21 1.25 1x9eA1 ILE 5 HG23 0.07 -0.00 -0.19 -0.04 0.93 0.77 1x9eA1 ILE 5 HD13 0.16 -0.00 -0.06 -0.04 0.88 0.93 1x9eA1 ASP 6 H 0.02 0.77 0.52 -0.55 8.40 9.17 1x9eA1 ASP 6 HA -0.00 -0.29 0.73 -0.75 4.63 4.31 1x9eA1 ASP 6 HB2 -0.00 0.05 0.04 -0.04 2.71 2.76 1x9eA1 ASP 6 HB3 0.00 0.05 0.09 -0.04 2.70 2.80 1x9eA1 LYS 7 H 0.04 0.22 0.28 -0.55 8.42 8.39 1x9eA1 LYS 7 HA 0.08 0.25 0.71 -0.75 4.32 4.61 1x9eA1 LYS 7 HB2 0.03 -0.11 0.00 -0.04 1.87 1.76 1x9eA1 LYS 7 HB3 0.05 0.02 -0.08 -0.04 1.79 1.74 1x9eA1 LYS 7 HG2 0.06 0.04 0.05 -0.04 1.46 1.57 1x9eA1 LYS 7 HG3 0.07 0.21 0.22 -0.04 1.46 1.92 1x9eA1 LYS 7 HD2 0.04 0.01 -0.02 -0.04 1.69 1.68 1x9eA1 LYS 7 HD3 0.01 -0.12 -0.24 -0.04 1.68 1.28 1x9eA1 LYS 7 HE2 0.02 -0.16 -0.04 -0.04 2.99 2.77 1x9eA1 LYS 7 HE3 0.03 0.16 0.06 -0.04 2.99 3.20 1x9eA1 ILE 8 H 0.12 0.37 0.21 -0.55 8.25 8.40 1x9eA1 ILE 8 HA 0.09 0.42 0.98 -0.75 4.18 4.92 1x9eA1 ILE 8 HB 0.11 -0.04 -0.16 -0.04 1.89 1.76 1x9eA1 ILE 8 HG12 0.17 -0.04 -0.12 -0.04 1.49 1.46 1x9eA1 ILE 8 HG13 0.11 0.18 0.10 -0.04 1.21 1.56 1x9eA1 ILE 8 HG23 0.17 -0.01 -0.08 -0.04 0.93 0.97 1x9eA1 ILE 8 HD13 0.18 -0.04 -0.08 -0.04 0.88 0.90 1x9eA1 SER 9 H 0.14 0.46 0.31 -0.55 8.46 8.83 1x9eA1 SER 9 HA 0.40 0.04 0.57 -0.75 4.49 4.74 1x9eA1 SER 9 HB2 0.13 0.10 -0.19 -0.04 3.95 3.95 1x9eA1 SER 9 HB3 0.11 0.04 -0.08 -0.04 3.93 3.96 1x9eA1 PHE 10 H 0.06 0.18 0.21 -0.55 8.34 8.23 1x9eA1 PHE 10 HA 0.05 0.24 1.26 -0.75 4.62 5.42 1x9eA1 PHE 10 HB2 -0.06 0.08 0.22 -0.04 3.15 3.35 1x9eA1 PHE 10 HB3 -0.08 -0.09 0.01 -0.04 3.06 2.86 1x9eA1 PHE 10 HD2 -0.45 -0.02 -0.11 -0.04 7.28 6.66 1x9eA1 PHE 10 HE2 -0.78 0.02 -0.09 -0.04 7.38 6.49 1x9eA1 PHE 10 HZ -0.76 0.03 -0.07 -0.04 7.32 6.48 1x9eA1 PHE 11 H 0.26 0.52 0.37 -0.55 8.34 8.94 1x9eA1 PHE 11 HA -0.19 0.16 0.51 -0.75 4.62 4.34 1x9eA1 PHE 11 HB2 -0.01 0.09 -0.15 -0.04 3.15 3.04 1x9eA1 PHE 11 HB3 0.05 -0.06 0.02 -0.04 3.06 3.03 1x9eA1 PHE 11 HD2 0.05 -0.07 -0.14 -0.04 7.28 7.09 1x9eA1 PHE 11 HE2 0.23 -0.07 -0.16 -0.04 7.38 7.34 1x9eA1 PHE 11 HZ 0.11 -0.08 -0.06 -0.04 7.32 7.25 1x9eA1 VAL 12 H -1.11 0.33 0.16 -0.55 8.24 7.07 1x9eA1 VAL 12 HA -0.51 0.09 0.76 -0.75 4.13 3.72 1x9eA1 VAL 12 HB -0.21 0.13 0.14 -0.04 2.12 2.14 1x9eA1 VAL 12 HG13 0.01 -0.01 -0.05 -0.04 0.97 0.88 1x9eA1 VAL 12 HG23 -0.22 0.01 -0.12 -0.04 0.95 0.58 1x9eA1 PRO 13 HA 0.01 0.07 0.52 -0.51 4.44 4.54 1x9eA1 PRO 13 HB2 0.20 0.15 0.16 -0.04 2.28 2.75 1x9eA1 PRO 13 HB3 0.29 -0.07 0.09 -0.04 2.02 2.29 1x9eA1 PRO 13 HG2 0.02 0.08 -0.04 -0.04 2.03 2.05 1x9eA1 PRO 13 HG3 -0.01 -0.07 -0.23 -0.04 2.03 1.69 1x9eA1 PRO 13 HD2 -0.25 0.20 0.20 -0.04 3.68 3.79 1x9eA1 PRO 13 HD3 -0.67 0.03 -0.07 -0.04 3.65 2.90 1x9eA1 PRO 14 HA -0.17 0.22 0.48 -0.51 4.44 4.46 1x9eA1 PRO 14 HB2 -0.48 -0.02 0.20 -0.04 2.28 1.94 1x9eA1 PRO 14 HB3 -0.14 0.07 0.15 -0.04 2.02 2.05 1x9eA1 PRO 14 HG2 -0.48 -0.01 0.06 -0.04 2.03 1.56 1x9eA1 PRO 14 HG3 -0.04 -0.02 0.09 -0.04 2.03 2.02 1x9eA1 PRO 14 HD2 0.16 0.05 0.23 -0.04 3.68 4.08 1x9eA1 PRO 14 HD3 0.15 0.14 0.21 -0.04 3.65 4.11 1x9eA1 TYR 15 H 0.04 0.15 -0.73 -0.55 8.29 7.20 1x9eA1 TYR 15 HA 0.08 0.30 1.09 -0.75 4.56 5.27 1x9eA1 TYR 15 HB2 0.09 0.32 0.08 -0.04 3.06 3.51 1x9eA1 TYR 15 HB3 0.07 -0.08 0.02 -0.04 2.98 2.94 1x9eA1 TYR 15 HD2 0.07 0.08 -0.00 -0.04 7.15 7.26 1x9eA1 TYR 15 HE2 0.06 -0.04 -0.02 -0.04 6.85 6.81 1x9eA1 TYR 16 H 0.06 0.43 0.36 -0.55 8.29 8.60 1x9eA1 TYR 16 HA 0.05 0.19 0.57 -0.75 4.56 4.62 1x9eA1 TYR 16 HB2 -0.00 0.10 0.07 -0.04 3.06 3.18 1x9eA1 TYR 16 HB3 0.01 0.12 -0.22 -0.04 2.98 2.85 1x9eA1 TYR 16 HD2 0.00 -0.00 -0.43 -0.04 7.15 6.68 1x9eA1 TYR 16 HE2 0.01 0.05 -0.22 -0.04 6.85 6.65 1x9eA1 ILE 17 H 0.07 0.47 0.26 -0.55 8.25 8.50 1x9eA1 ILE 17 HA -0.22 0.27 1.05 -0.75 4.18 4.52 1x9eA1 ILE 17 HB -0.20 -0.03 -0.02 -0.04 1.89 1.60 1x9eA1 ILE 17 HG12 -0.33 0.08 -0.06 -0.04 1.49 1.13 1x9eA1 ILE 17 HG13 -0.18 -0.08 -0.03 -0.04 1.21 0.88 1x9eA1 ILE 17 HG23 -0.24 0.04 -0.17 -0.04 0.93 0.51 1x9eA1 ILE 17 HD13 -0.68 -0.01 -0.14 -0.04 0.88 0.01 1x9eA1 ASP 18 H -0.02 0.15 0.16 -0.55 8.40 8.14 1x9eA1 ASP 18 HA 0.15 0.31 0.82 -0.75 4.63 5.15 1x9eA1 ASP 18 HB2 0.23 0.14 0.13 -0.04 2.71 3.17 1x9eA1 ASP 18 HB3 0.08 -0.04 0.22 -0.04 2.70 2.91 1x9eA1 MET 19 H 0.00 1.09 0.34 -0.55 8.47 9.35 1x9eA1 MET 19 HA -0.02 0.01 0.37 -0.75 4.52 4.13 1x9eA1 MET 19 HB2 -0.46 0.10 0.14 -0.04 2.15 1.89 1x9eA1 MET 19 HB3 -0.08 -0.11 0.03 -0.04 2.03 1.82 1x9eA1 MET 19 HG2 -0.10 0.07 -0.58 -0.04 2.63 1.98 1x9eA1 MET 19 HG3 -0.17 0.04 -0.73 -0.04 2.56 1.67 1x9eA1 MET 19 HE3 -0.18 0.00 -0.21 -0.04 2.10 1.68 1x9eA1 THR 20 H 0.14 0.17 -0.22 -0.55 8.28 7.82 1x9eA1 THR 20 HA 0.10 0.05 0.53 -0.75 4.39 4.31 1x9eA1 THR 20 HB 0.13 0.01 0.10 -0.04 4.32 4.51 1x9eA1 THR 20 HG23 0.06 0.01 -0.01 -0.04 1.22 1.23 1x9eA1 ALA 21 H 0.05 0.20 -0.11 -0.55 8.40 7.99 1x9eA1 ALA 21 HA 0.02 0.04 0.39 -0.75 4.34 4.04 1x9eA1 ALA 21 HB3 -0.00 0.04 0.14 -0.04 1.41 1.54 1x9eA1 LEU 22 H 0.02 0.35 -0.27 -0.55 8.37 7.92 1x9eA1 LEU 22 HA 0.01 0.01 0.33 -0.75 4.35 3.95 1x9eA1 LEU 22 HB2 -0.10 0.02 -0.05 -0.04 1.64 1.47 1x9eA1 LEU 22 HB3 0.13 0.10 0.05 -0.04 1.64 1.88 1x9eA1 LEU 22 HG 0.09 0.00 -0.18 -0.04 1.64 1.51 1x9eA1 LEU 22 HD13 -0.11 -0.02 -0.05 -0.04 0.93 0.71 1x9eA1 LEU 22 HD23 -0.38 0.01 -0.14 -0.04 0.89 0.34 1x9eA1 ALA 23 H 0.17 0.64 -0.11 -0.55 8.40 8.55 1x9eA1 ALA 23 HA -0.12 0.00 0.19 -0.75 4.34 3.66 1x9eA1 ALA 23 HB3 -0.23 0.02 -0.02 -0.04 1.41 1.14 1x9eA1 GLU 24 H 0.00 0.58 -0.13 -0.55 8.60 8.50 1x9eA1 GLU 24 HA -0.03 0.05 0.48 -0.75 4.29 4.04 1x9eA1 GLU 24 HB2 0.01 0.08 0.16 -0.04 2.09 2.29 1x9eA1 GLU 24 HB3 -0.00 -0.04 0.06 -0.04 1.99 1.97 1x9eA1 GLU 24 HG2 -0.02 -0.00 0.09 -0.04 2.34 2.38 1x9eA1 GLU 24 HG3 -0.00 0.13 0.14 -0.04 2.34 2.57 1x9eA1 ALA 25 H 0.02 0.45 -0.20 -0.55 8.40 8.13 1x9eA1 ALA 25 HA 0.01 0.00 0.47 -0.75 4.34 4.07 1x9eA1 ALA 25 HB3 0.03 -0.01 0.12 -0.04 1.41 1.51 1x9eA1 ARG 26 H 0.04 0.55 -0.24 -0.55 8.46 8.26 1x9eA1 ARG 26 HA 0.02 0.09 0.68 -0.75 4.34 4.38 1x9eA1 ARG 26 HB2 0.10 0.02 0.01 -0.04 1.90 1.99 1x9eA1 ARG 26 HB3 0.06 -0.03 0.12 -0.04 1.80 1.90 1x9eA1 ARG 26 HG2 0.07 0.02 -0.07 -0.04 1.67 1.66 1x9eA1 ARG 26 HG3 0.14 -0.06 -0.07 -0.04 1.67 1.64 1x9eA1 ARG 26 HD2 0.03 0.00 0.01 -0.04 3.22 3.22 1x9eA1 ARG 26 HD3 0.02 0.10 -0.01 -0.04 3.22 3.29 1x9eA1 ASN 27 H -0.01 0.32 -0.68 -0.55 8.53 7.61 1x9eA1 ASN 27 HA -0.03 0.04 0.35 -0.75 4.76 4.37 1x9eA1 ASN 27 HB2 -0.02 0.06 -0.16 -0.04 2.88 2.72 1x9eA1 ASN 27 HB3 -0.02 -0.07 0.17 -0.04 2.79 2.83 1x9eA1 ASN 27 HD21 -0.01 -0.03 0.01 -0.04 7.03 6.97 1x9eA1 ASN 27 HD22 -0.01 -0.02 -0.08 -0.04 7.74 7.59 1x9eA1 VAL 28 H -0.08 0.49 -0.11 -0.55 8.24 7.99 1x9eA1 VAL 28 HA -0.09 0.17 0.77 -0.75 4.13 4.22 1x9eA1 VAL 28 HB -0.20 -0.17 0.08 -0.04 2.12 1.80 1x9eA1 VAL 28 HG13 -0.07 0.15 -0.21 -0.04 0.97 0.80 1x9eA1 VAL 28 HG23 -0.39 0.02 -0.25 -0.04 0.95 0.28 1x9eA1 ASP 29 H -0.14 0.16 0.09 -0.55 8.40 7.96 1x9eA1 ASP 29 HA -0.09 0.29 0.73 -0.75 4.63 4.80 1x9eA1 ASP 29 HB2 -0.07 0.11 0.10 -0.04 2.71 2.81 1x9eA1 ASP 29 HB3 -0.10 -0.04 0.22 -0.04 2.70 2.74 1x9eA1 PRO 30 HA -0.10 0.05 0.37 -0.51 4.44 4.25 1x9eA1 PRO 30 HB2 0.03 0.03 0.01 -0.04 2.28 2.31 1x9eA1 PRO 30 HB3 0.10 -0.01 0.14 -0.04 2.02 2.20 1x9eA1 PRO 30 HG2 -0.01 0.06 0.10 -0.04 2.03 2.13 1x9eA1 PRO 30 HG3 -0.00 0.07 0.15 -0.04 2.03 2.21 1x9eA1 PRO 30 HD2 -0.05 0.08 0.28 -0.04 3.68 3.94 1x9eA1 PRO 30 HD3 -0.07 0.33 0.25 -0.04 3.65 4.12 1x9eA1 GLY 31 H -0.04 0.04 -0.61 -0.55 8.43 7.27 1x9eA1 GLY 31 HA2 0.05 -0.01 0.43 -0.51 4.01 3.97 1x9eA1 GLY 31 HA3 -0.02 0.07 0.32 -0.51 4.01 3.86 1x9eA1 LYS 32 H -0.20 0.82 -0.07 -0.55 8.42 8.41 1x9eA1 LYS 32 HA -0.07 0.06 0.31 -0.75 4.32 3.86 1x9eA1 LYS 32 HB2 -0.18 -0.01 0.09 -0.04 1.87 1.73 1x9eA1 LYS 32 HB3 -0.53 0.03 -0.03 -0.04 1.79 1.22 1x9eA1 LYS 32 HG2 0.03 -0.02 -0.06 -0.04 1.46 1.36 1x9eA1 LYS 32 HG3 -0.05 -0.01 0.07 -0.04 1.46 1.43 1x9eA1 LYS 32 HD2 -0.17 0.03 -0.06 -0.04 1.69 1.44 1x9eA1 LYS 32 HD3 0.01 0.02 -0.03 -0.04 1.68 1.65 1x9eA1 LYS 32 HE2 -0.05 0.00 0.00 -0.04 2.99 2.90 1x9eA1 LYS 32 HE3 -0.12 -0.05 0.02 -0.04 2.99 2.80 1x9eA1 PHE 33 H -0.17 0.43 -0.24 -0.55 8.34 7.81 1x9eA1 PHE 33 HA -0.13 0.13 0.97 -0.75 4.62 4.84 1x9eA1 PHE 33 HB2 -0.25 0.05 0.14 -0.04 3.15 3.04 1x9eA1 PHE 33 HB3 -0.21 0.05 0.07 -0.04 3.06 2.94 1x9eA1 PHE 33 HD2 -0.13 0.15 -0.12 -0.04 7.28 7.13 1x9eA1 PHE 33 HE2 -0.09 -0.00 -0.24 -0.04 7.38 7.00 1x9eA1 PHE 33 HZ -0.08 0.06 -0.13 -0.04 7.32 7.14 1x9eA1 HIS 34 H 0.03 0.32 0.15 -0.55 8.41 8.36 1x9eA1 HIS 34 HA 0.04 0.25 0.45 -0.75 4.63 4.61 1x9eA1 HIS 34 HB2 0.00 -0.03 0.08 -0.04 3.26 3.28 1x9eA1 HIS 34 HB3 0.01 0.02 -0.04 -0.04 3.20 3.15 1x9eA1 HIS 34 HD2 0.01 -0.02 -0.07 -0.04 6.97 6.84 1x9eA1 HIS 34 HE1 0.03 0.02 0.13 -0.04 7.75 7.89 1x9eA1 ILE 35 H 0.08 0.70 0.03 -0.55 8.25 8.51 1x9eA1 ILE 35 HA 0.05 0.23 0.93 -0.75 4.18 4.63 1x9eA1 ILE 35 HB 0.02 0.10 0.05 -0.04 1.89 2.02 1x9eA1 ILE 35 HG12 0.02 0.06 -0.08 -0.04 1.49 1.45 1x9eA1 ILE 35 HG13 0.06 -0.12 -0.11 -0.04 1.21 1.00 1x9eA1 ILE 35 HG23 0.01 -0.01 0.01 -0.04 0.93 0.90 1x9eA1 ILE 35 HD13 -0.00 -0.02 -0.01 -0.04 0.88 0.81 1x9eA1 GLY 36 H 0.03 0.04 -0.30 -0.55 8.43 7.66 1x9eA1 GLY 36 HA2 0.01 0.18 0.85 -0.51 4.01 4.54 1x9eA1 GLY 36 HA3 0.00 0.05 0.32 -0.51 4.01 3.87 1x9eA1 ILE 37 H 0.02 0.24 0.14 -0.55 8.25 8.11 1x9eA1 ILE 37 HA -0.15 0.04 0.51 -0.75 4.18 3.82 1x9eA1 ILE 37 HB -0.04 0.09 0.27 -0.04 1.89 2.17 1x9eA1 ILE 37 HG12 -0.05 0.11 0.10 -0.04 1.49 1.61 1x9eA1 ILE 37 HG13 -0.25 0.01 -0.01 -0.04 1.21 0.92 1x9eA1 ILE 37 HG23 -0.20 0.00 -0.19 -0.04 0.93 0.50 1x9eA1 ILE 37 HD13 -0.70 -0.00 -0.07 -0.04 0.88 0.06 1x9eA1 GLY 38 H 0.04 0.31 -0.08 -0.55 8.43 8.15 1x9eA1 GLY 38 HA2 0.05 0.28 0.20 -0.51 4.01 4.03 1x9eA1 GLY 38 HA3 0.05 -0.02 0.51 -0.51 4.01 4.04 1x9eA1 GLN 39 H -0.00 0.52 0.20 -0.55 8.47 8.64 1x9eA1 GLN 39 HA -0.02 0.15 0.87 -0.75 4.36 4.60 1x9eA1 GLN 39 HB2 -0.10 -0.09 0.03 -0.04 2.15 1.95 1x9eA1 GLN 39 HB3 -0.12 0.01 -0.12 -0.04 2.02 1.75 1x9eA1 GLN 39 HG2 -0.08 -0.04 -0.06 -0.04 2.40 2.18 1x9eA1 GLN 39 HG3 -0.08 0.14 0.03 -0.04 2.39 2.44 1x9eA1 GLN 39 HE21 -0.03 -0.02 -0.01 -0.04 6.97 6.87 1x9eA1 GLN 39 HE22 -0.04 0.07 0.17 -0.04 7.69 7.85 1x9eA1 ASP 40 H -0.02 0.60 0.35 -0.55 8.40 8.78 1x9eA1 ASP 40 HA -0.05 0.06 1.12 -0.75 4.63 5.00 1x9eA1 ASP 40 HB2 0.03 0.26 0.12 -0.04 2.71 3.08 1x9eA1 ASP 40 HB3 0.13 -0.09 0.01 -0.04 2.70 2.71 1x9eA1 GLN 41 H -0.02 0.63 0.38 -0.55 8.47 8.91 1x9eA1 GLN 41 HA 0.07 0.11 0.90 -0.75 4.36 4.69 1x9eA1 GLN 41 HB2 -0.09 0.12 0.11 -0.04 2.15 2.25 1x9eA1 GLN 41 HB3 -0.03 0.04 -0.03 -0.04 2.02 1.96 1x9eA1 GLN 41 HG2 0.06 -0.06 -0.14 -0.04 2.40 2.22 1x9eA1 GLN 41 HG3 -0.01 -0.13 -0.32 -0.04 2.39 1.89 1x9eA1 GLN 41 HE21 -0.23 0.05 -0.06 -0.04 6.97 6.70 1x9eA1 GLN 41 HE22 -0.04 -0.09 -0.06 -0.04 7.69 7.46 1x9eA1 MET 42 H 0.05 0.47 0.26 -0.55 8.47 8.70 1x9eA1 MET 42 HA -0.02 0.27 0.70 -0.75 4.52 4.71 1x9eA1 MET 42 HB2 -0.11 -0.09 -0.07 -0.04 2.15 1.85 1x9eA1 MET 42 HB3 -0.09 -0.15 -0.01 -0.04 2.03 1.74 1x9eA1 MET 42 HG2 0.00 0.12 -0.17 -0.04 2.63 2.55 1x9eA1 MET 42 HG3 -0.05 0.21 -0.03 -0.04 2.56 2.65 1x9eA1 MET 42 HE3 0.04 -0.04 -0.10 -0.04 2.10 1.96 1x9eA1 ALA 43 H 0.01 0.48 0.29 -0.55 8.40 8.64 1x9eA1 ALA 43 HA 0.08 0.26 0.81 -0.75 4.34 4.74 1x9eA1 ALA 43 HB3 -0.03 -0.06 0.24 -0.04 1.41 1.52 1x9eA1 VAL 44 H 0.16 0.60 0.12 -0.55 8.24 8.57 1x9eA1 VAL 44 HA 0.21 0.16 0.84 -0.75 4.13 4.59 1x9eA1 VAL 44 HB 0.22 -0.06 -0.17 -0.04 2.12 2.06 1x9eA1 VAL 44 HG13 0.33 -0.00 -0.13 -0.04 0.97 1.12 1x9eA1 VAL 44 HG23 0.15 0.03 -0.36 -0.04 0.95 0.73 1x9eA1 ASN 45 H 0.19 0.23 0.07 -0.55 8.53 8.47 1x9eA1 ASN 45 HA 0.29 0.19 0.97 -0.75 4.76 5.46 1x9eA1 ASN 45 HB2 0.45 0.03 0.05 -0.04 2.88 3.37 1x9eA1 ASN 45 HB3 0.31 -0.05 -0.18 -0.04 2.79 2.83 1x9eA1 ASN 45 HD21 0.16 -0.07 -0.06 -0.04 7.03 7.02 1x9eA1 ASN 45 HD22 0.29 0.16 -0.06 -0.04 7.74 8.09 1x9eA1 PRO 46 HA 0.02 0.25 0.64 -0.51 4.44 4.84 1x9eA1 PRO 46 HB2 0.04 -0.06 0.08 -0.04 2.28 2.31 1x9eA1 PRO 46 HB3 -0.03 0.07 0.07 -0.04 2.02 2.09 1x9eA1 PRO 46 HG2 0.16 -0.06 -0.03 -0.04 2.03 2.06 1x9eA1 PRO 46 HG3 0.23 0.07 0.04 -0.04 2.03 2.32 1x9eA1 PRO 46 HD2 0.30 0.08 0.20 -0.04 3.68 4.21 1x9eA1 PRO 46 HD3 0.36 0.19 0.14 -0.04 3.65 4.29 1x9eA1 ILE 47 H 0.01 0.19 0.12 -0.55 8.25 8.02 1x9eA1 ILE 47 HA 0.01 0.19 0.33 -0.75 4.18 3.96 1x9eA1 ILE 47 HB -0.01 -0.04 -0.10 -0.04 1.89 1.69 1x9eA1 ILE 47 HG12 -0.01 0.06 0.01 -0.04 1.49 1.51 1x9eA1 ILE 47 HG13 -0.00 -0.08 -0.03 -0.04 1.21 1.06 1x9eA1 ILE 47 HG23 -0.03 0.02 -0.22 -0.04 0.93 0.65 1x9eA1 ILE 47 HD13 -0.02 0.01 -0.23 -0.04 0.88 0.60 1x9eA1 SER 48 H 0.05 0.04 -0.49 -0.55 8.46 7.51 1x9eA1 SER 48 HA 0.02 0.15 0.52 -0.75 4.49 4.42 1x9eA1 SER 48 HB2 0.05 0.04 0.05 -0.04 3.95 4.05 1x9eA1 SER 48 HB3 0.03 0.03 -0.05 -0.04 3.93 3.90 1x9eA1 GLN 49 H 0.05 0.57 -0.42 -0.55 8.47 8.12 1x9eA1 GLN 49 HA -0.04 0.06 0.92 -0.75 4.36 4.55 1x9eA1 GLN 49 HB2 0.21 0.09 0.07 -0.04 2.15 2.48 1x9eA1 GLN 49 HB3 0.02 -0.01 -0.04 -0.04 2.02 1.95 1x9eA1 GLN 49 HG2 0.16 0.06 -0.17 -0.04 2.40 2.41 1x9eA1 GLN 49 HG3 0.17 -0.12 -0.31 -0.04 2.39 2.10 1x9eA1 GLN 49 HE21 0.28 0.03 0.04 -0.04 6.97 7.27 1x9eA1 GLN 49 HE22 0.23 -0.06 -0.04 -0.04 7.69 7.78 1x9eA1 ASP 50 H -0.22 0.06 0.08 -0.55 8.40 7.77 1x9eA1 ASP 50 HA -0.17 0.32 0.74 -0.75 4.63 4.77 1x9eA1 ASP 50 HB2 -0.03 -0.10 0.16 -0.04 2.71 2.70 1x9eA1 ASP 50 HB3 -0.01 0.21 -0.10 -0.04 2.70 2.76 1x9eA1 ILE 51 H -0.06 0.27 0.09 -0.55 8.25 8.00 1x9eA1 ILE 51 HA -0.01 0.15 0.19 -0.75 4.18 3.76 1x9eA1 ILE 51 HB 0.03 -0.02 -0.03 -0.04 1.89 1.83 1x9eA1 ILE 51 HG12 0.02 0.13 0.08 -0.04 1.49 1.68 1x9eA1 ILE 51 HG13 -0.01 -0.06 -0.05 -0.04 1.21 1.05 1x9eA1 ILE 51 HG23 0.10 0.03 -0.12 -0.04 0.93 0.90 1x9eA1 ILE 51 HD13 0.04 -0.03 -0.12 -0.04 0.88 0.73 1x9eA1 VAL 52 H -0.14 0.09 -0.27 -0.55 8.24 7.37 1x9eA1 VAL 52 HA -0.21 0.07 0.33 -0.75 4.13 3.57 1x9eA1 VAL 52 HB -0.64 0.02 -0.01 -0.04 2.12 1.44 1x9eA1 VAL 52 HG13 -0.75 0.04 -0.22 -0.04 0.97 0.00 1x9eA1 VAL 52 HG23 -0.14 -0.00 -0.03 -0.04 0.95 0.74 1x9eA1 THR 53 H -0.29 -0.06 -0.29 -0.55 8.28 7.09 1x9eA1 THR 53 HA -0.15 0.25 0.20 -0.75 4.39 3.93 1x9eA1 THR 53 HB -0.64 0.16 0.09 -0.04 4.32 3.88 1x9eA1 THR 53 HG23 0.06 0.02 -0.31 -0.04 1.22 0.95 1x9eA1 PHE 54 H -0.36 0.31 -0.31 -0.55 8.34 7.43 1x9eA1 PHE 54 HA 0.00 0.13 0.44 -0.75 4.62 4.43 1x9eA1 PHE 54 HB2 0.10 -0.00 -0.11 -0.04 3.15 3.10 1x9eA1 PHE 54 HB3 0.26 -0.03 -0.29 -0.04 3.06 2.96 1x9eA1 PHE 54 HD2 0.32 0.03 -0.25 -0.04 7.28 7.33 1x9eA1 PHE 54 HE2 0.20 0.00 -0.18 -0.04 7.38 7.37 1x9eA1 PHE 54 HZ 0.14 0.05 -0.17 -0.04 7.32 7.30 1x9eA1 ALA 55 H 0.04 0.59 -0.11 -0.55 8.40 8.38 1x9eA1 ALA 55 HA 0.04 -0.02 0.26 -0.75 4.34 3.86 1x9eA1 ALA 55 HB3 -0.05 -0.02 -0.01 -0.04 1.41 1.29 1x9eA1 ALA 56 H -0.22 0.66 -0.36 -0.55 8.40 7.94 1x9eA1 ALA 56 HA -0.33 0.03 0.31 -0.75 4.34 3.59 1x9eA1 ALA 56 HB3 -0.83 0.02 -0.06 -0.04 1.41 0.49 1x9eA1 ASN 57 H -0.26 0.43 -0.20 -0.55 8.53 7.96 1x9eA1 ASN 57 HA -0.10 0.04 0.30 -0.75 4.76 4.25 1x9eA1 ASN 57 HB2 -1.05 0.06 0.12 -0.04 2.88 1.97 1x9eA1 ASN 57 HB3 -0.89 -0.02 -0.06 -0.04 2.79 1.78 1x9eA1 ASN 57 HD21 -0.15 0.31 0.02 -0.04 7.03 7.17 1x9eA1 ASN 57 HD22 -0.55 0.11 -0.02 -0.04 7.74 7.23 1x9eA1 ALA 58 H -0.06 0.56 -0.29 -0.55 8.40 8.07 1x9eA1 ALA 58 HA 0.09 0.11 0.13 -0.75 4.34 3.91 1x9eA1 ALA 58 HB3 0.11 -0.01 -0.18 -0.04 1.41 1.29 1x9eA1 ALA 59 H -0.05 0.53 -0.20 -0.55 8.40 8.13 1x9eA1 ALA 59 HA -0.01 0.00 0.40 -0.75 4.34 3.98 1x9eA1 ALA 59 HB3 -0.07 0.01 -0.01 -0.04 1.41 1.29 1x9eA1 GLU 60 H -0.08 0.52 -0.40 -0.55 8.60 8.09 1x9eA1 GLU 60 HA -0.03 0.03 0.37 -0.75 4.29 3.90 1x9eA1 GLU 60 HB2 -0.01 -0.00 0.03 -0.04 2.09 2.06 1x9eA1 GLU 60 HB3 0.01 0.09 0.07 -0.04 1.99 2.11 1x9eA1 GLU 60 HG2 0.03 0.00 -0.16 -0.04 2.34 2.17 1x9eA1 GLU 60 HG3 0.03 -0.00 0.09 -0.04 2.34 2.42 1x9eA1 ALA 61 H -0.00 0.32 -0.71 -0.55 8.40 7.47 1x9eA1 ALA 61 HA 0.00 0.04 0.39 -0.75 4.34 4.01 1x9eA1 ALA 61 HB3 0.02 0.02 0.06 -0.04 1.41 1.47 1x9eA1 ILE 62 H 0.00 0.32 -0.33 -0.55 8.25 7.69 1x9eA1 ILE 62 HA 0.02 0.30 1.11 -0.75 4.18 4.85 1x9eA1 ILE 62 HB 0.03 -0.08 -0.05 -0.04 1.89 1.76 1x9eA1 ILE 62 HG12 0.02 0.06 -0.08 -0.04 1.49 1.45 1x9eA1 ILE 62 HG13 0.00 0.09 -0.20 -0.04 1.21 1.06 1x9eA1 ILE 62 HG23 0.05 -0.01 -0.39 -0.04 0.93 0.54 1x9eA1 ILE 62 HD13 0.02 -0.04 -0.39 -0.04 0.88 0.44 1x9eA1 LEU 63 H -0.01 0.39 0.01 -0.55 8.37 8.21 1x9eA1 LEU 63 HA -0.00 0.08 0.86 -0.75 4.35 4.53 1x9eA1 LEU 63 HB2 -0.03 0.06 0.06 -0.04 1.64 1.69 1x9eA1 LEU 63 HB3 -0.03 0.01 -0.10 -0.04 1.64 1.49 1x9eA1 LEU 63 HG -0.03 0.11 -0.04 -0.04 1.64 1.63 1x9eA1 LEU 63 HD13 -0.06 -0.00 -0.14 -0.04 0.93 0.68 1x9eA1 LEU 63 HD23 -0.02 -0.02 -0.14 -0.04 0.89 0.67 1x9eA1 THR 64 H -0.00 0.07 0.21 -0.55 8.28 8.02 1x9eA1 THR 64 HA -0.00 0.31 0.82 -0.75 4.39 4.76 1x9eA1 THR 64 HB 0.00 -0.08 0.15 -0.04 4.32 4.35 1x9eA1 THR 64 HG23 0.01 0.07 -0.06 -0.04 1.22 1.20 1x9eA1 LYS 65 H -0.00 0.23 0.15 -0.55 8.42 8.24 1x9eA1 LYS 65 HA -0.01 0.18 0.36 -0.75 4.32 4.10 1x9eA1 LYS 65 HB2 -0.00 -0.05 0.15 -0.04 1.87 1.93 1x9eA1 LYS 65 HB3 -0.00 0.05 -0.00 -0.04 1.79 1.80 1x9eA1 LYS 65 HG2 -0.00 0.01 0.04 -0.04 1.46 1.47 1x9eA1 LYS 65 HG3 -0.01 0.08 0.05 -0.04 1.46 1.55 1x9eA1 LYS 65 HD2 -0.00 -0.04 0.10 -0.04 1.69 1.71 1x9eA1 LYS 65 HD3 -0.00 0.05 0.03 -0.04 1.68 1.71 1x9eA1 LYS 65 HE2 -0.01 0.11 -0.03 -0.04 2.99 3.02 1x9eA1 LYS 65 HE3 -0.01 -0.09 -0.05 -0.04 2.99 2.80 1x9eA1 GLU 66 H 0.00 0.06 -0.23 -0.55 8.60 7.88 1x9eA1 GLU 66 HA 0.01 0.12 0.36 -0.75 4.29 4.02 1x9eA1 GLU 66 HB2 0.01 0.00 0.01 -0.04 2.09 2.07 1x9eA1 GLU 66 HB3 0.01 0.09 0.04 -0.04 1.99 2.08 1x9eA1 GLU 66 HG2 0.01 0.07 0.02 -0.04 2.34 2.39 1x9eA1 GLU 66 HG3 0.01 0.03 -0.00 -0.04 2.34 2.33 1x9eA1 ASP 67 H -0.00 0.13 -0.35 -0.55 8.40 7.63 1x9eA1 ASP 67 HA 0.00 0.09 0.45 -0.75 4.63 4.42 1x9eA1 ASP 67 HB2 -0.01 0.13 0.20 -0.04 2.71 2.99 1x9eA1 ASP 67 HB3 -0.01 0.01 0.02 -0.04 2.70 2.69 1x9eA1 LYS 68 H -0.01 0.39 -0.15 -0.55 8.42 8.09 1x9eA1 LYS 68 HA -0.04 0.01 0.35 -0.75 4.32 3.88 1x9eA1 LYS 68 HB2 -0.03 0.01 0.11 -0.04 1.87 1.92 1x9eA1 LYS 68 HB3 -0.05 0.16 0.01 -0.04 1.79 1.86 1x9eA1 LYS 68 HG2 -0.08 0.17 -0.30 -0.04 1.46 1.21 1x9eA1 LYS 68 HG3 -0.05 -0.16 -0.14 -0.04 1.46 1.07 1x9eA1 LYS 68 HD2 -0.02 -0.14 -0.38 -0.04 1.69 1.11 1x9eA1 LYS 68 HD3 -0.03 0.01 -0.09 -0.04 1.68 1.53 1x9eA1 LYS 68 HE2 -0.05 -0.02 -0.10 -0.04 2.99 2.78 1x9eA1 LYS 68 HE3 -0.02 -0.05 -0.29 -0.04 2.99 2.59 1x9eA1 GLU 69 H -0.00 0.19 -0.51 -0.55 8.60 7.74 1x9eA1 GLU 69 HA 0.02 0.08 0.69 -0.75 4.29 4.32 1x9eA1 GLU 69 HB2 0.01 0.04 0.11 -0.04 2.09 2.21 1x9eA1 GLU 69 HB3 0.02 -0.03 0.04 -0.04 1.99 1.97 1x9eA1 GLU 69 HG2 0.00 0.12 -0.00 -0.04 2.34 2.43 1x9eA1 GLU 69 HG3 0.01 -0.08 -0.01 -0.04 2.34 2.22 1x9eA1 ALA 70 H 0.01 0.24 -0.09 -0.55 8.40 8.01 1x9eA1 ALA 70 HA 0.03 0.13 0.73 -0.75 4.34 4.48 1x9eA1 ALA 70 HB3 0.02 0.00 0.13 -0.04 1.41 1.52 1x9eA1 ILE 71 H 0.02 0.40 -0.08 -0.55 8.25 8.03 1x9eA1 ILE 71 HA 0.04 0.23 0.66 -0.75 4.18 4.35 1x9eA1 ILE 71 HB -0.00 0.05 0.07 -0.04 1.89 1.97 1x9eA1 ILE 71 HG12 0.00 -0.11 -0.27 -0.04 1.49 1.07 1x9eA1 ILE 71 HG13 0.00 0.12 0.03 -0.04 1.21 1.33 1x9eA1 ILE 71 HG23 0.00 -0.05 -0.16 -0.04 0.93 0.69 1x9eA1 ILE 71 HD13 -0.02 -0.04 -0.17 -0.04 0.88 0.60 1x9eA1 ASP 72 H 0.07 0.41 0.40 -0.55 8.40 8.73 1x9eA1 ASP 72 HA 0.07 0.28 0.87 -0.75 4.63 5.09 1x9eA1 ASP 72 HB2 0.07 0.03 0.25 -0.04 2.71 3.01 1x9eA1 ASP 72 HB3 0.08 0.09 -0.00 -0.04 2.70 2.82 1x9eA1 MET 73 H 0.00 0.22 0.07 -0.55 8.47 8.21 1x9eA1 MET 73 HA -0.06 0.28 0.77 -0.75 4.52 4.76 1x9eA1 MET 73 HB2 -0.25 0.08 -0.11 -0.04 2.15 1.83 1x9eA1 MET 73 HB3 -0.15 -0.07 0.07 -0.04 2.03 1.84 1x9eA1 MET 73 HG2 -0.18 -0.09 -0.23 -0.04 2.63 2.09 1x9eA1 MET 73 HG3 -0.11 0.12 0.00 -0.04 2.56 2.53 1x9eA1 MET 73 HE3 -0.23 -0.00 -0.13 -0.04 2.10 1.70 1x9eA1 VAL 74 H -0.13 0.72 0.38 -0.55 8.24 8.67 1x9eA1 VAL 74 HA -0.12 0.24 1.07 -0.75 4.13 4.57 1x9eA1 VAL 74 HB -0.05 -0.05 0.07 -0.04 2.12 2.05 1x9eA1 VAL 74 HG13 -0.09 -0.03 -0.16 -0.04 0.97 0.66 1x9eA1 VAL 74 HG23 0.02 0.01 -0.19 -0.04 0.95 0.75 1x9eA1 ILE 75 H -0.20 0.79 0.35 -0.55 8.25 8.65 1x9eA1 ILE 75 HA -0.51 0.28 1.20 -0.75 4.18 4.39 1x9eA1 ILE 75 HB -0.23 -0.00 0.10 -0.04 1.89 1.72 1x9eA1 ILE 75 HG12 -1.23 0.04 -0.19 -0.04 1.49 0.07 1x9eA1 ILE 75 HG13 -0.42 -0.06 -0.56 -0.04 1.21 0.13 1x9eA1 ILE 75 HG23 -0.24 -0.03 -0.19 -0.04 0.93 0.43 1x9eA1 ILE 75 HD13 -0.09 0.00 -0.13 -0.04 0.88 0.61 1x9eA1 VAL 76 H -0.20 0.48 0.38 -0.55 8.24 8.35 1x9eA1 VAL 76 HA -0.09 0.40 1.17 -0.75 4.13 4.85 1x9eA1 VAL 76 HB -0.06 -0.17 0.06 -0.04 2.12 1.91 1x9eA1 VAL 76 HG13 -0.02 -0.01 -0.22 -0.04 0.97 0.68 1x9eA1 VAL 76 HG23 -0.08 0.01 -0.27 -0.04 0.95 0.57 1x9eA1 GLY 77 H -0.04 0.69 0.38 -0.55 8.43 8.91 1x9eA1 GLY 77 HA2 -0.01 0.33 1.07 -0.51 4.01 4.88 1x9eA1 GLY 77 HA3 -0.04 -0.10 0.15 -0.51 4.01 3.52 1x9eA1 THR 78 H 0.02 0.60 0.35 -0.55 8.28 8.71 1x9eA1 THR 78 HA 0.07 0.13 0.77 -0.75 4.39 4.60 1x9eA1 THR 78 HB 0.05 0.08 -0.18 -0.04 4.32 4.22 1x9eA1 THR 78 HG23 0.04 -0.01 -0.16 -0.04 1.22 1.04 1x9eA1 GLU 79 H 0.09 0.22 0.25 -0.55 8.60 8.62 1x9eA1 GLU 79 HA 0.04 0.21 0.84 -0.75 4.29 4.62 1x9eA1 GLU 79 HB2 0.01 0.08 0.26 -0.04 2.09 2.41 1x9eA1 GLU 79 HB3 -0.02 -0.05 0.18 -0.04 1.99 2.05 1x9eA1 GLU 79 HG2 -0.11 -0.05 -0.10 -0.04 2.34 2.03 1x9eA1 GLU 79 HG3 -0.11 0.11 -0.06 -0.04 2.34 2.24 1x9eA1 SER 80 H 0.08 0.01 0.12 -0.55 8.46 8.13 1x9eA1 SER 80 HA 0.08 0.33 0.82 -0.75 4.49 4.97 1x9eA1 SER 80 HB2 0.13 -0.02 0.25 -0.04 3.95 4.27 1x9eA1 SER 80 HB3 0.11 0.12 0.29 -0.04 3.93 4.42 1x9eA1 SER 81 H 0.05 0.09 -0.23 -0.55 8.46 7.82 1x9eA1 SER 81 HA 0.03 -0.01 0.46 -0.75 4.49 4.22 1x9eA1 SER 81 HB2 0.03 -0.00 0.13 -0.04 3.95 4.07 1x9eA1 SER 81 HB3 0.04 -0.05 0.03 -0.04 3.93 3.91 1x9eA1 ILE 82 H 0.02 0.02 0.20 -0.55 8.25 7.94 1x9eA1 ILE 82 HA 0.01 0.29 0.91 -0.75 4.18 4.64 1x9eA1 ILE 82 HB 0.02 0.07 0.15 -0.04 1.89 2.09 1x9eA1 ILE 82 HG12 0.03 -0.13 0.08 -0.04 1.49 1.43 1x9eA1 ILE 82 HG13 0.03 0.06 -0.18 -0.04 1.21 1.09 1x9eA1 ILE 82 HG23 0.02 0.01 -0.06 -0.04 0.93 0.87 1x9eA1 ILE 82 HD13 0.08 -0.01 -0.01 -0.04 0.88 0.90 1x9eA1 ASP 83 H 0.02 0.19 0.13 -0.55 8.40 8.20 1x9eA1 ASP 83 HA 0.01 0.19 0.66 -0.75 4.63 4.73 1x9eA1 ASP 83 HB2 0.02 0.05 -0.11 -0.04 2.71 2.63 1x9eA1 ASP 83 HB3 0.02 0.23 0.11 -0.04 2.70 3.02 1x9eA1 GLU 84 H 0.01 0.19 0.13 -0.55 8.60 8.38 1x9eA1 GLU 84 HA 0.02 0.19 0.76 -0.75 4.29 4.51 1x9eA1 GLU 84 HB2 0.01 0.02 0.02 -0.04 2.09 2.10 1x9eA1 GLU 84 HB3 0.02 0.04 0.13 -0.04 1.99 2.13 1x9eA1 GLU 84 HG2 0.01 -0.05 -0.06 -0.04 2.34 2.20 1x9eA1 GLU 84 HG3 0.01 0.04 -0.00 -0.04 2.34 2.35 1x9eA1 SER 85 H 0.01 -0.13 -0.08 -0.55 8.46 7.72 1x9eA1 SER 85 HA 0.01 0.24 0.85 -0.75 4.49 4.84 1x9eA1 SER 85 HB2 0.01 0.06 -0.11 -0.04 3.95 3.86 1x9eA1 SER 85 HB3 0.01 -0.07 0.09 -0.04 3.93 3.91 1x9eA1 LYS 86 H 0.01 -0.02 0.08 -0.55 8.42 7.93 1x9eA1 LYS 86 HA 0.01 0.16 0.66 -0.75 4.32 4.40 1x9eA1 LYS 86 HB2 0.01 0.04 0.07 -0.04 1.87 1.95 1x9eA1 LYS 86 HB3 0.02 -0.05 0.08 -0.04 1.79 1.79 1x9eA1 LYS 86 HG2 0.02 0.01 -0.27 -0.04 1.46 1.18 1x9eA1 LYS 86 HG3 0.01 0.03 0.02 -0.04 1.46 1.48 1x9eA1 LYS 86 HD2 0.01 0.04 -0.02 -0.04 1.69 1.68 1x9eA1 LYS 86 HD3 0.02 -0.02 -0.04 -0.04 1.68 1.60 1x9eA1 LYS 86 HE2 0.03 -0.05 -0.09 -0.04 2.99 2.84 1x9eA1 LYS 86 HE3 0.01 0.00 -0.07 -0.04 2.99 2.89 1x9eA1 ALA 87 H 0.02 0.24 0.19 -0.55 8.40 8.30 1x9eA1 ALA 87 HA 0.02 0.10 0.50 -0.75 4.34 4.22 1x9eA1 ALA 87 HB3 0.04 0.04 0.09 -0.04 1.41 1.54 1x9eA1 ALA 88 H 0.00 0.20 0.14 -0.55 8.40 8.20 1x9eA1 ALA 88 HA -0.00 0.12 0.35 -0.75 4.34 4.06 1x9eA1 ALA 88 HB3 -0.02 0.02 0.02 -0.04 1.41 1.38 1x9eA1 ALA 89 H -0.03 0.01 -0.61 -0.55 8.40 7.22 1x9eA1 ALA 89 HA -0.07 0.10 0.20 -0.75 4.34 3.82 1x9eA1 ALA 89 HB3 -0.11 0.04 -0.17 -0.04 1.41 1.13 1x9eA1 VAL 90 H -0.02 0.46 -0.35 -0.55 8.24 7.79 1x9eA1 VAL 90 HA -0.03 0.14 0.32 -0.75 4.13 3.81 1x9eA1 VAL 90 HB -0.00 0.03 0.03 -0.04 2.12 2.14 1x9eA1 VAL 90 HG13 -0.02 0.02 -0.09 -0.04 0.97 0.84 1x9eA1 VAL 90 HG23 -0.02 -0.02 0.04 -0.04 0.95 0.92 1x9eA1 VAL 91 H -0.01 0.14 -0.27 -0.55 8.24 7.54 1x9eA1 VAL 91 HA 0.02 0.13 0.49 -0.75 4.13 4.02 1x9eA1 VAL 91 HB -0.05 0.04 0.05 -0.04 2.12 2.12 1x9eA1 VAL 91 HG13 0.02 0.01 -0.09 -0.04 0.97 0.86 1x9eA1 VAL 91 HG23 0.07 0.01 -0.03 -0.04 0.95 0.95 1x9eA1 LEU 92 H -0.07 0.42 -0.18 -0.55 8.37 7.99 1x9eA1 LEU 92 HA -0.17 0.02 0.26 -0.75 4.35 3.70 1x9eA1 LEU 92 HB2 -0.11 -0.05 -0.04 -0.04 1.64 1.40 1x9eA1 LEU 92 HB3 -0.07 0.06 0.02 -0.04 1.64 1.60 1x9eA1 LEU 92 HG -0.10 0.07 -0.28 -0.04 1.64 1.29 1x9eA1 LEU 92 HD13 -0.18 0.00 -0.23 -0.04 0.93 0.48 1x9eA1 LEU 92 HD23 -0.09 -0.03 -0.18 -0.04 0.89 0.55 1x9eA1 HIS 93 H 0.05 0.46 -0.44 -0.55 8.41 7.93 1x9eA1 HIS 93 HA -0.07 0.00 0.22 -0.75 4.63 4.03 1x9eA1 HIS 93 HB2 -0.06 -0.02 0.01 -0.04 3.26 3.15 1x9eA1 HIS 93 HB3 -0.05 0.12 0.08 -0.04 3.20 3.30 1x9eA1 HIS 93 HD2 -0.05 -0.09 -0.21 -0.04 6.97 6.57 1x9eA1 HIS 93 HE1 -0.07 -0.08 -0.24 -0.04 7.75 7.32 1x9eA1 ARG 94 H 0.06 0.29 -0.26 -0.55 8.46 7.99 1x9eA1 ARG 94 HA -0.01 0.12 0.45 -0.75 4.34 4.15 1x9eA1 ARG 94 HB2 0.06 0.00 0.09 -0.04 1.90 2.01 1x9eA1 ARG 94 HB3 0.02 0.00 0.16 -0.04 1.80 1.95 1x9eA1 ARG 94 HG2 0.02 0.01 -0.39 -0.04 1.67 1.27 1x9eA1 ARG 94 HG3 0.01 0.01 -0.02 -0.04 1.67 1.64 1x9eA1 ARG 94 HD2 0.03 -0.01 -0.04 -0.04 3.22 3.15 1x9eA1 ARG 94 HD3 0.03 -0.01 -0.02 -0.04 3.22 3.18 1x9eA1 LEU 95 H -0.06 0.59 -0.03 -0.55 8.37 8.31 1x9eA1 LEU 95 HA -0.00 0.04 0.43 -0.75 4.35 4.06 1x9eA1 LEU 95 HB2 -0.25 0.04 0.01 -0.04 1.64 1.40 1x9eA1 LEU 95 HB3 -0.26 -0.04 -0.02 -0.04 1.64 1.28 1x9eA1 LEU 95 HG -0.03 0.04 0.01 -0.04 1.64 1.62 1x9eA1 LEU 95 HD13 -0.30 -0.03 -0.17 -0.04 0.93 0.38 1x9eA1 LEU 95 HD23 0.18 -0.02 -0.06 -0.04 0.89 0.95 1x9eA1 MET 96 H -0.14 0.40 -0.47 -0.55 8.47 7.71 1x9eA1 MET 96 HA -0.11 0.11 0.56 -0.75 4.52 4.33 1x9eA1 MET 96 HB2 -0.15 0.13 -0.01 -0.04 2.15 2.08 1x9eA1 MET 96 HB3 -0.12 -0.05 -0.04 -0.04 2.03 1.78 1x9eA1 MET 96 HG2 -0.18 0.02 -0.09 -0.04 2.63 2.33 1x9eA1 MET 96 HG3 -0.12 -0.09 -0.13 -0.04 2.56 2.18 1x9eA1 MET 96 HE3 -0.12 0.05 -0.28 -0.04 2.10 1.70 1x9eA1 GLY 97 H -0.12 0.38 -0.36 -0.55 8.43 7.78 1x9eA1 GLY 97 HA2 -0.10 0.04 0.27 -0.51 4.01 3.71 1x9eA1 GLY 97 HA3 -0.07 -0.03 0.30 -0.51 4.01 3.69 1x9eA1 ILE 98 H -0.34 0.19 -0.19 -0.55 8.25 7.36 1x9eA1 ILE 98 HA -0.13 0.07 0.52 -0.75 4.18 3.89 1x9eA1 ILE 98 HB -0.67 -0.06 0.01 -0.04 1.89 1.13 1x9eA1 ILE 98 HG12 -0.10 -0.00 -0.06 -0.04 1.49 1.29 1x9eA1 ILE 98 HG13 -0.17 -0.02 -0.21 -0.04 1.21 0.77 1x9eA1 ILE 98 HG23 -0.02 0.07 -0.10 -0.04 0.93 0.84 1x9eA1 ILE 98 HD13 -0.09 -0.04 -0.12 -0.04 0.88 0.59 1x9eA1 GLN 99 H -0.04 0.70 0.28 -0.55 8.47 8.87 1x9eA1 GLN 99 HA -0.01 -0.00 0.33 -0.75 4.36 3.92 1x9eA1 GLN 99 HB2 0.08 -0.13 0.08 -0.04 2.15 2.14 1x9eA1 GLN 99 HB3 0.03 -0.03 0.18 -0.04 2.02 2.16 1x9eA1 GLN 99 HG2 0.06 0.15 0.07 -0.04 2.40 2.63 1x9eA1 GLN 99 HG3 0.06 0.06 0.08 -0.04 2.39 2.55 1x9eA1 GLN 99 HE21 0.15 0.06 -0.05 -0.04 6.97 7.08 1x9eA1 GLN 99 HE22 0.09 0.13 -0.20 -0.04 7.69 7.66 1x9eA1 PRO 100 HA 0.10 0.15 0.62 -0.51 4.44 4.80 1x9eA1 PRO 100 HB2 -0.47 -0.02 -0.01 -0.04 2.28 1.74 1x9eA1 PRO 100 HB3 -0.14 0.02 0.11 -0.04 2.02 1.97 1x9eA1 PRO 100 HG2 -0.67 -0.03 0.07 -0.04 2.03 1.37 1x9eA1 PRO 100 HG3 -0.26 0.01 0.07 -0.04 2.03 1.80 1x9eA1 PRO 100 HD2 0.02 0.09 0.15 -0.04 3.68 3.91 1x9eA1 PRO 100 HD3 -0.04 0.14 0.19 -0.04 3.65 3.90 1x9eA1 PHE 101 H 0.03 0.12 -0.17 -0.55 8.34 7.77 1x9eA1 PHE 101 HA -0.00 0.09 0.59 -0.75 4.62 4.54 1x9eA1 PHE 101 HB2 0.01 0.04 0.16 -0.04 3.15 3.33 1x9eA1 PHE 101 HB3 0.00 0.00 0.12 -0.04 3.06 3.14 1x9eA1 PHE 101 HD2 0.01 0.04 0.01 -0.04 7.28 7.29 1x9eA1 PHE 101 HE2 0.00 -0.01 -0.01 -0.04 7.38 7.32 1x9eA1 PHE 101 HZ 0.00 -0.02 -0.01 -0.04 7.32 7.25 1x9eA1 ALA 102 H -0.02 0.59 0.13 -0.55 8.40 8.55 1x9eA1 ALA 102 HA 0.05 0.24 0.80 -0.75 4.34 4.67 1x9eA1 ALA 102 HB3 0.07 0.02 -0.34 -0.04 1.41 1.12 1x9eA1 ARG 103 H -0.00 0.60 0.22 -0.55 8.46 8.73 1x9eA1 ARG 103 HA 0.02 0.05 0.70 -0.75 4.34 4.36 1x9eA1 ARG 103 HB2 0.03 0.04 0.07 -0.04 1.90 2.00 1x9eA1 ARG 103 HB3 0.03 0.03 0.25 -0.04 1.80 2.07 1x9eA1 ARG 103 HG2 0.34 -0.05 -0.16 -0.04 1.67 1.76 1x9eA1 ARG 103 HG3 0.09 -0.00 0.02 -0.04 1.67 1.73 1x9eA1 ARG 103 HD2 0.11 -0.00 -0.03 -0.04 3.22 3.25 1x9eA1 ARG 103 HD3 0.04 -0.04 -0.05 -0.04 3.22 3.13 1x9eA1 SER 104 H 0.04 0.24 0.19 -0.55 8.46 8.38 1x9eA1 SER 104 HA -0.16 0.37 1.02 -0.75 4.49 4.97 1x9eA1 SER 104 HB2 -0.07 -0.02 -0.01 -0.04 3.95 3.80 1x9eA1 SER 104 HB3 -0.07 -0.18 -0.30 -0.04 3.93 3.34 1x9eA1 PHE 105 H -0.49 0.62 0.38 -0.55 8.34 8.30 1x9eA1 PHE 105 HA -0.03 -0.02 0.58 -0.75 4.62 4.39 1x9eA1 PHE 105 HB2 -0.03 0.01 0.15 -0.04 3.15 3.25 1x9eA1 PHE 105 HB3 -0.03 0.19 -0.07 -0.04 3.06 3.10 1x9eA1 PHE 105 HD2 -0.04 0.05 -0.43 -0.04 7.28 6.82 1x9eA1 PHE 105 HE2 -0.06 0.00 -0.17 -0.04 7.38 7.12 1x9eA1 PHE 105 HZ -0.06 0.02 -0.14 -0.04 7.32 7.11 1x9eA1 GLU 106 H 0.18 0.21 0.24 -0.55 8.60 8.69 1x9eA1 GLU 106 HA -0.01 0.23 0.97 -0.75 4.29 4.73 1x9eA1 GLU 106 HB2 0.03 -0.28 0.12 -0.04 2.09 1.92 1x9eA1 GLU 106 HB3 0.07 0.09 0.10 -0.04 1.99 2.20 1x9eA1 GLU 106 HG2 0.04 0.11 -0.10 -0.04 2.34 2.35 1x9eA1 GLU 106 HG3 0.01 -0.02 0.02 -0.04 2.34 2.31 1x9eA1 ILE 107 H 0.03 0.73 0.47 -0.55 8.25 8.93 1x9eA1 ILE 107 HA 0.11 0.22 0.99 -0.75 4.18 4.75 1x9eA1 ILE 107 HB 0.02 -0.01 0.07 -0.04 1.89 1.93 1x9eA1 ILE 107 HG12 0.22 0.08 -0.07 -0.04 1.49 1.68 1x9eA1 ILE 107 HG13 0.26 -0.01 -0.30 -0.04 1.21 1.12 1x9eA1 ILE 107 HG23 0.02 -0.03 -0.20 -0.04 0.93 0.68 1x9eA1 ILE 107 HD13 0.13 -0.01 -0.13 -0.04 0.88 0.83 1x9eA1 LYS 108 H 0.05 0.27 0.12 -0.55 8.42 8.31 1x9eA1 LYS 108 HA 0.04 0.25 1.33 -0.75 4.32 5.18 1x9eA1 LYS 108 HB2 0.04 0.00 0.02 -0.04 1.87 1.89 1x9eA1 LYS 108 HB3 0.04 0.04 0.20 -0.04 1.79 2.03 1x9eA1 LYS 108 HG2 0.04 -0.12 -0.10 -0.04 1.46 1.24 1x9eA1 LYS 108 HG3 0.04 0.03 0.14 -0.04 1.46 1.63 1x9eA1 LYS 108 HD2 0.04 0.01 0.01 -0.04 1.69 1.71 1x9eA1 LYS 108 HD3 0.06 0.00 0.03 -0.04 1.68 1.72 1x9eA1 LYS 108 HE2 0.04 -0.01 0.01 -0.04 2.99 2.99 1x9eA1 LYS 108 HE3 0.04 -0.00 0.02 -0.04 2.99 3.01 1x9eA1 GLU 109 H 0.03 0.20 -0.06 -0.55 8.60 8.23 1x9eA1 GLU 109 HA 0.04 0.19 0.33 -0.75 4.29 4.10 1x9eA1 GLU 109 HB2 0.10 0.18 -0.02 -0.04 2.09 2.31 1x9eA1 GLU 109 HB3 0.21 -0.16 0.01 -0.04 1.99 2.01 1x9eA1 GLU 109 HG2 0.03 0.09 0.02 -0.04 2.34 2.44 1x9eA1 GLU 109 HG3 0.06 -0.05 -0.03 -0.04 2.34 2.28 1x9eA1 ALA 110 H 0.02 0.22 0.11 -0.55 8.40 8.20 1x9eA1 ALA 110 HA -0.07 0.12 0.37 -0.75 4.34 4.01 1x9eA1 ALA 110 HB3 -0.11 0.06 0.11 -0.04 1.41 1.43 1x9eA1 CYS 111 H -0.17 0.08 0.30 -0.55 8.50 8.17 1x9eA1 CYS 111 HA 0.02 -0.01 0.41 -0.75 4.58 4.25 1x9eA1 CYS 111 HB2 -0.38 0.31 0.04 -0.04 2.97 2.90 1x9eA1 CYS 111 HB3 0.10 -0.09 -0.33 -0.04 2.97 2.61 1x9eA1 TYR 112 H 0.05 0.44 -0.17 -0.55 8.29 8.06 1x9eA1 TYR 112 HA -0.03 0.15 0.53 -0.75 4.56 4.46 1x9eA1 TYR 112 HB2 -0.15 -0.03 -0.27 -0.04 3.06 2.57 1x9eA1 TYR 112 HB3 -0.09 0.24 0.03 -0.04 2.98 3.12 1x9eA1 TYR 112 HD2 -0.04 0.01 -0.26 -0.04 7.15 6.82 1x9eA1 TYR 112 HE2 0.01 0.05 -0.17 -0.04 6.85 6.70 1x9eA1 GLY 113 H 0.01 0.26 -0.33 -0.55 8.43 7.83 1x9eA1 GLY 113 HA2 -0.08 0.06 0.17 -0.51 4.01 3.66 1x9eA1 GLY 113 HA3 -0.03 0.10 0.16 -0.51 4.01 3.73 1x9eA1 ALA 114 H -0.05 0.18 -0.27 -0.55 8.40 7.71 1x9eA1 ALA 114 HA -0.13 0.10 0.40 -0.75 4.34 3.95 1x9eA1 ALA 114 HB3 -0.13 0.06 -0.06 -0.04 1.41 1.24 1x9eA1 THR 115 H -0.18 0.27 -0.27 -0.55 8.28 7.56 1x9eA1 THR 115 HA 0.01 0.07 0.31 -0.75 4.39 4.02 1x9eA1 THR 115 HB -0.60 0.16 0.05 -0.04 4.32 3.89 1x9eA1 THR 115 HG23 0.05 0.00 -0.19 -0.04 1.22 1.05 1x9eA1 ALA 116 H -0.59 0.35 -0.26 -0.55 8.40 7.35 1x9eA1 ALA 116 HA -0.19 0.05 0.25 -0.75 4.34 3.69 1x9eA1 ALA 116 HB3 -0.16 0.05 -0.03 -0.04 1.41 1.23 1x9eA1 GLY 117 H -0.14 0.43 -0.25 -0.55 8.43 7.92 1x9eA1 GLY 117 HA2 -0.03 0.02 0.22 -0.51 4.01 3.71 1x9eA1 GLY 117 HA3 -0.10 0.04 0.17 -0.51 4.01 3.61 1x9eA1 LEU 118 H -0.16 0.46 -0.41 -0.55 8.37 7.72 1x9eA1 LEU 118 HA -0.10 0.03 0.33 -0.75 4.35 3.86 1x9eA1 LEU 118 HB2 -0.19 0.02 0.03 -0.04 1.64 1.46 1x9eA1 LEU 118 HB3 -0.15 0.12 0.10 -0.04 1.64 1.66 1x9eA1 LEU 118 HG -0.11 0.01 -0.30 -0.04 1.64 1.20 1x9eA1 LEU 118 HD13 -0.04 -0.01 -0.05 -0.04 0.93 0.78 1x9eA1 LEU 118 HD23 0.09 -0.01 -0.11 -0.04 0.89 0.81 1x9eA1 GLN 119 H -0.15 0.55 -0.11 -0.55 8.47 8.22 1x9eA1 GLN 119 HA -0.12 0.07 0.47 -0.75 4.36 4.02 1x9eA1 GLN 119 HB2 -0.09 0.06 0.07 -0.04 2.15 2.15 1x9eA1 GLN 119 HB3 -0.10 -0.01 -0.00 -0.04 2.02 1.87 1x9eA1 GLN 119 HG2 -0.26 0.26 0.01 -0.04 2.40 2.37 1x9eA1 GLN 119 HG3 -0.19 -0.05 -0.07 -0.04 2.39 2.04 1x9eA1 GLN 119 HE21 -1.40 0.00 -0.11 -0.04 6.97 5.42 1x9eA1 GLN 119 HE22 -0.90 -0.01 -0.09 -0.04 7.69 6.64 1x9eA1 LEU 120 H -0.04 0.59 -0.12 -0.55 8.37 8.25 1x9eA1 LEU 120 HA 0.02 0.04 0.42 -0.75 4.35 4.07 1x9eA1 LEU 120 HB2 0.04 0.06 0.01 -0.04 1.64 1.70 1x9eA1 LEU 120 HB3 0.06 -0.02 -0.03 -0.04 1.64 1.61 1x9eA1 LEU 120 HG -0.00 0.04 -0.01 -0.04 1.64 1.63 1x9eA1 LEU 120 HD13 0.04 -0.03 -0.17 -0.04 0.93 0.73 1x9eA1 LEU 120 HD23 0.02 -0.00 -0.06 -0.04 0.89 0.81 1x9eA1 ALA 121 H -0.02 0.41 -0.42 -0.55 8.40 7.83 1x9eA1 ALA 121 HA 0.05 0.00 0.25 -0.75 4.34 3.89 1x9eA1 ALA 121 HB3 -0.02 0.04 0.02 -0.04 1.41 1.41 1x9eA1 LYS 122 H -0.02 0.54 -0.20 -0.55 8.42 8.18 1x9eA1 LYS 122 HA 0.01 -0.02 0.28 -0.75 4.32 3.83 1x9eA1 LYS 122 HB2 -0.04 -0.01 0.10 -0.04 1.87 1.88 1x9eA1 LYS 122 HB3 -0.03 0.18 0.19 -0.04 1.79 2.08 1x9eA1 LYS 122 HG2 -0.01 0.01 -0.25 -0.04 1.46 1.17 1x9eA1 LYS 122 HG3 -0.01 -0.03 -0.07 -0.04 1.46 1.31 1x9eA1 LYS 122 HD2 -0.01 0.08 -0.09 -0.04 1.69 1.63 1x9eA1 LYS 122 HD3 -0.06 -0.09 -0.02 -0.04 1.68 1.47 1x9eA1 LYS 122 HE2 -0.04 -0.01 -0.00 -0.04 2.99 2.90 1x9eA1 LYS 122 HE3 -0.01 0.00 -0.08 -0.04 2.99 2.86 1x9eA1 ASN 123 H 0.02 0.47 -0.29 -0.55 8.53 8.18 1x9eA1 ASN 123 HA 0.00 0.01 0.29 -0.75 4.76 4.31 1x9eA1 ASN 123 HB2 0.05 0.15 0.14 -0.04 2.88 3.18 1x9eA1 ASN 123 HB3 0.03 -0.05 -0.06 -0.04 2.79 2.67 1x9eA1 ASN 123 HD21 0.00 -0.06 -0.06 -0.04 7.03 6.88 1x9eA1 ASN 123 HD22 0.02 -0.04 -0.02 -0.04 7.74 7.66 1x9eA1 HIS 124 H 0.16 0.53 -0.14 -0.55 8.41 8.41 1x9eA1 HIS 124 HA 0.08 -0.02 0.39 -0.75 4.63 4.33 1x9eA1 HIS 124 HB2 0.07 -0.02 0.06 -0.04 3.26 3.34 1x9eA1 HIS 124 HB3 0.05 0.11 0.10 -0.04 3.20 3.43 1x9eA1 HIS 124 HD2 0.05 0.02 -0.28 -0.04 6.97 6.72 1x9eA1 HIS 124 HE1 -0.10 -0.01 -0.04 -0.04 7.75 7.56 1x9eA1 VAL 125 H 0.09 0.58 -0.19 -0.55 8.24 8.17 1x9eA1 VAL 125 HA -0.06 0.17 0.27 -0.75 4.13 3.76 1x9eA1 VAL 125 HB 0.02 0.03 -0.07 -0.04 2.12 2.06 1x9eA1 VAL 125 HG13 0.01 -0.01 -0.19 -0.04 0.97 0.73 1x9eA1 VAL 125 HG23 0.09 0.04 -0.17 -0.04 0.95 0.87 1x9eA1 ALA 126 H -0.02 0.44 -0.35 -0.55 8.40 7.93 1x9eA1 ALA 126 HA -0.04 0.01 0.28 -0.75 4.34 3.84 1x9eA1 ALA 126 HB3 -0.03 0.03 0.05 -0.04 1.41 1.42 1x9eA1 LEU 127 H -0.15 0.38 -0.36 -0.55 8.37 7.69 1x9eA1 LEU 127 HA -0.20 0.07 0.66 -0.75 4.35 4.12 1x9eA1 LEU 127 HB2 -0.38 0.12 0.12 -0.04 1.64 1.46 1x9eA1 LEU 127 HB3 -0.60 -0.09 0.04 -0.04 1.64 0.94 1x9eA1 LEU 127 HG -0.10 0.10 -0.03 -0.04 1.64 1.57 1x9eA1 LEU 127 HD13 -0.07 -0.04 -0.04 -0.04 0.93 0.75 1x9eA1 LEU 127 HD23 -0.11 -0.01 -0.02 -0.04 0.89 0.71 1x9eA1 HIS 128 H -0.21 0.40 -0.23 -0.55 8.41 7.82 1x9eA1 HIS 128 HA -0.09 0.10 0.80 -0.75 4.63 4.68 1x9eA1 HIS 128 HB2 -0.39 0.04 0.18 -0.04 3.26 3.06 1x9eA1 HIS 128 HB3 -0.13 -0.09 0.14 -0.04 3.20 3.07 1x9eA1 HIS 128 HD2 -0.05 -0.00 -0.01 -0.04 6.97 6.86 1x9eA1 HIS 128 HE1 0.03 -0.06 -0.04 -0.04 7.75 7.64 1x9eA1 PRO 129 HA -0.01 0.20 0.57 -0.51 4.44 4.68 1x9eA1 PRO 129 HB2 -0.01 -0.05 -0.01 -0.04 2.28 2.16 1x9eA1 PRO 129 HB3 -0.02 0.04 0.11 -0.04 2.02 2.10 1x9eA1 PRO 129 HG2 -0.02 -0.06 0.02 -0.04 2.03 1.93 1x9eA1 PRO 129 HG3 -0.03 0.13 0.02 -0.04 2.03 2.10 1x9eA1 PRO 129 HD2 -0.01 -0.02 0.06 -0.04 3.68 3.68 1x9eA1 PRO 129 HD3 -0.07 0.29 -0.38 -0.04 3.65 3.46 1x9eA1 ASP 130 H 0.02 0.04 -0.44 -0.55 8.40 7.47 1x9eA1 ASP 130 HA 0.01 0.10 0.63 -0.75 4.63 4.62 1x9eA1 ASP 130 HB2 0.01 -0.01 0.07 -0.04 2.71 2.75 1x9eA1 ASP 130 HB3 0.01 -0.03 0.04 -0.04 2.70 2.68 1x9eA1 LYS 131 H 0.02 0.54 0.03 -0.55 8.42 8.45 1x9eA1 LYS 131 HA 0.04 0.25 0.94 -0.75 4.32 4.79 1x9eA1 LYS 131 HB2 -0.00 0.09 0.10 -0.04 1.87 2.01 1x9eA1 LYS 131 HB3 0.12 -0.03 0.15 -0.04 1.79 1.99 1x9eA1 LYS 131 HG2 0.01 -0.16 -0.04 -0.04 1.46 1.23 1x9eA1 LYS 131 HG3 -0.05 -0.05 0.04 -0.04 1.46 1.36 1x9eA1 LYS 131 HD2 0.04 -0.02 0.04 -0.04 1.69 1.71 1x9eA1 LYS 131 HD3 0.04 0.24 0.10 -0.04 1.68 2.01 1x9eA1 LYS 131 HE2 -0.02 -0.07 -0.01 -0.04 2.99 2.84 1x9eA1 LYS 131 HE3 0.01 0.02 -0.00 -0.04 2.99 2.97 1x9eA1 LYS 132 H 0.06 0.50 0.23 -0.55 8.42 8.65 1x9eA1 LYS 132 HA 0.05 0.33 1.04 -0.75 4.32 4.99 1x9eA1 LYS 132 HB2 0.03 -0.06 -0.16 -0.04 1.87 1.63 1x9eA1 LYS 132 HB3 0.02 -0.06 0.00 -0.04 1.79 1.71 1x9eA1 LYS 132 HG2 0.02 0.03 -0.05 -0.04 1.46 1.41 1x9eA1 LYS 132 HG3 0.02 0.07 -0.42 -0.04 1.46 1.09 1x9eA1 LYS 132 HD2 0.01 -0.04 -0.06 -0.04 1.69 1.56 1x9eA1 LYS 132 HD3 0.01 -0.08 -0.10 -0.04 1.68 1.47 1x9eA1 LYS 132 HE2 0.01 0.03 -0.09 -0.04 2.99 2.90 1x9eA1 LYS 132 HE3 0.01 0.08 -0.09 -0.04 2.99 2.95 1x9eA1 VAL 133 H 0.03 0.59 0.36 -0.55 8.24 8.67 1x9eA1 VAL 133 HA 0.01 0.22 1.15 -0.75 4.13 4.75 1x9eA1 VAL 133 HB 0.02 -0.07 0.06 -0.04 2.12 2.08 1x9eA1 VAL 133 HG13 -0.07 -0.00 -0.23 -0.04 0.97 0.63 1x9eA1 VAL 133 HG23 0.10 0.01 -0.19 -0.04 0.95 0.83 1x9eA1 LEU 134 H -0.05 0.64 0.36 -0.55 8.37 8.77 1x9eA1 LEU 134 HA -0.04 0.28 1.02 -0.75 4.35 4.85 1x9eA1 LEU 134 HB2 -0.04 0.04 0.05 -0.04 1.64 1.65 1x9eA1 LEU 134 HB3 -0.06 -0.04 0.26 -0.04 1.64 1.76 1x9eA1 LEU 134 HG -0.07 -0.09 -0.27 -0.04 1.64 1.17 1x9eA1 LEU 134 HD13 -0.04 0.06 -0.09 -0.04 0.93 0.82 1x9eA1 LEU 134 HD23 -0.07 -0.00 -0.11 -0.04 0.89 0.66 1x9eA1 VAL 135 H -0.07 0.68 0.30 -0.55 8.24 8.61 1x9eA1 VAL 135 HA -0.13 0.21 1.06 -0.75 4.13 4.52 1x9eA1 VAL 135 HB -0.12 -0.01 0.09 -0.04 2.12 2.04 1x9eA1 VAL 135 HG13 -0.17 -0.02 -0.21 -0.04 0.97 0.53 1x9eA1 VAL 135 HG23 -0.10 -0.01 -0.36 -0.04 0.95 0.44 1x9eA1 VAL 136 H -0.10 0.68 0.34 -0.55 8.24 8.61 1x9eA1 VAL 136 HA -0.06 0.35 1.32 -0.75 4.13 4.99 1x9eA1 VAL 136 HB -0.06 -0.08 0.08 -0.04 2.12 2.02 1x9eA1 VAL 136 HG13 0.00 -0.02 -0.26 -0.04 0.97 0.65 1x9eA1 VAL 136 HG23 -0.06 0.00 -0.17 -0.04 0.95 0.69 1x9eA1 ALA 137 H -0.02 0.78 0.40 -0.55 8.40 9.01 1x9eA1 ALA 137 HA -0.00 0.13 0.97 -0.75 4.34 4.68 1x9eA1 ALA 137 HB3 0.02 -0.06 -0.10 -0.04 1.41 1.24 1x9eA1 ALA 138 H 0.07 0.61 0.35 -0.55 8.40 8.88 1x9eA1 ALA 138 HA 0.16 0.28 1.07 -0.75 4.34 5.09 1x9eA1 ALA 138 HB3 0.11 -0.02 -0.02 -0.04 1.41 1.45 1x9eA1 ASP 139 H 0.20 0.71 0.37 -0.55 8.40 9.13 1x9eA1 ASP 139 HA 0.20 0.04 0.80 -0.75 4.63 4.91 1x9eA1 ASP 139 HB2 0.24 0.18 -0.17 -0.04 2.71 2.92 1x9eA1 ASP 139 HB3 0.40 0.09 -0.18 -0.04 2.70 2.97 1x9eA1 ILE 140 H 0.22 0.24 0.20 -0.55 8.25 8.37 1x9eA1 ILE 140 HA 0.15 0.20 1.00 -0.75 4.18 4.77 1x9eA1 ILE 140 HB 0.13 -0.00 0.18 -0.04 1.89 2.16 1x9eA1 ILE 140 HG12 0.45 0.07 -0.05 -0.04 1.49 1.92 1x9eA1 ILE 140 HG13 0.26 -0.20 -0.34 -0.04 1.21 0.88 1x9eA1 ILE 140 HG23 0.12 0.03 -0.04 -0.04 0.93 1.00 1x9eA1 ILE 140 HD13 0.10 0.01 -0.00 -0.04 0.88 0.94 1x9eA1 ALA 141 H -0.01 0.97 0.32 -0.55 8.40 9.13 1x9eA1 ALA 141 HA 0.05 0.15 1.17 -0.75 4.34 4.96 1x9eA1 ALA 141 HB3 -0.64 -0.03 0.07 -0.04 1.41 0.77 1x9eA1 LYS 142 H 0.04 0.31 0.17 -0.55 8.42 8.38 1x9eA1 LYS 142 HA 0.27 0.13 0.92 -0.75 4.32 4.89 1x9eA1 LYS 142 HB2 0.19 0.09 0.06 -0.04 1.87 2.17 1x9eA1 LYS 142 HB3 0.24 -0.05 0.01 -0.04 1.79 1.95 1x9eA1 LYS 142 HG2 0.06 -0.01 -0.30 -0.04 1.46 1.17 1x9eA1 LYS 142 HG3 -0.02 0.04 -0.08 -0.04 1.46 1.36 1x9eA1 LYS 142 HD2 -0.79 -0.00 -0.00 -0.04 1.69 0.85 1x9eA1 LYS 142 HD3 -0.49 -0.02 -0.01 -0.04 1.68 1.12 1x9eA1 LYS 142 HE2 -0.13 -0.03 -0.02 -0.04 2.99 2.77 1x9eA1 LYS 142 HE3 -0.20 -0.03 -0.01 -0.04 2.99 2.71 1x9eA1 TYR 143 H 0.35 0.00 0.14 -0.55 8.29 8.24 1x9eA1 TYR 143 HA 0.11 0.27 0.95 -0.75 4.56 5.13 1x9eA1 TYR 143 HB2 0.03 -0.02 -0.16 -0.04 3.06 2.88 1x9eA1 TYR 143 HB3 0.00 -0.09 0.02 -0.04 2.98 2.87 1x9eA1 TYR 143 HD2 0.10 0.05 -0.17 -0.04 7.15 7.09 1x9eA1 TYR 143 HE2 0.29 0.04 -0.16 -0.04 6.85 6.97 1x9eA1 GLY 144 H 0.27 -0.09 0.06 -0.55 8.43 8.12 1x9eA1 GLY 144 HA2 -0.03 0.05 0.32 -0.51 4.01 3.84 1x9eA1 GLY 144 HA3 -0.34 0.30 0.88 -0.51 4.01 4.33 1x9eA1 LEU 145 H -0.10 0.17 0.11 -0.55 8.37 8.00 1x9eA1 LEU 145 HA -0.33 0.02 0.47 -0.75 4.35 3.76 1x9eA1 LEU 145 HB2 -0.09 0.04 0.06 -0.04 1.64 1.60 1x9eA1 LEU 145 HB3 -0.14 0.03 0.03 -0.04 1.64 1.52 1x9eA1 LEU 145 HG -0.79 -0.03 0.03 -0.04 1.64 0.82 1x9eA1 LEU 145 HD13 0.16 0.00 0.02 -0.04 0.93 1.07 1x9eA1 LEU 145 HD23 -0.17 0.02 0.03 -0.04 0.89 0.73 1x9eA1 ASN 146 H -0.08 0.11 0.16 -0.55 8.53 8.17 1x9eA1 ASN 146 HA -0.03 0.04 0.31 -0.75 4.76 4.33 1x9eA1 ASN 146 HB2 -0.04 0.17 -0.05 -0.04 2.88 2.93 1x9eA1 ASN 146 HB3 -0.02 0.01 0.17 -0.04 2.79 2.90 1x9eA1 ASN 146 HD21 -0.03 0.00 -0.09 -0.04 7.03 6.87 1x9eA1 ASN 146 HD22 -0.03 0.06 -0.22 -0.04 7.74 7.51 1x9eA1 SER 147 H -0.07 0.16 -0.41 -0.55 8.46 7.58 1x9eA1 SER 147 HA -0.04 0.19 0.56 -0.75 4.49 4.44 1x9eA1 SER 147 HB2 -0.02 -0.18 -0.11 -0.04 3.95 3.60 1x9eA1 SER 147 HB3 -0.01 -0.17 -0.00 -0.04 3.93 3.70 1x9eA1 GLY 148 H -0.04 0.16 0.13 -0.55 8.43 8.14 1x9eA1 GLY 148 HA2 -0.04 0.17 0.47 -0.51 4.01 4.10 1x9eA1 GLY 148 HA3 -0.05 0.02 0.35 -0.51 4.01 3.82 1x9eA1 GLY 149 H -0.13 0.08 -0.04 -0.55 8.43 7.79 1x9eA1 GLY 149 HA2 -0.33 0.10 0.29 -0.51 4.01 3.57 1x9eA1 GLY 149 HA3 -0.71 0.03 0.24 -0.51 4.01 3.06 1x9eA1 GLU 150 H -0.07 0.12 -0.66 -0.55 8.60 7.44 1x9eA1 GLU 150 HA 0.05 -0.07 0.24 -0.75 4.29 3.75 1x9eA1 GLU 150 HB2 -0.08 0.08 0.12 -0.04 2.09 2.17 1x9eA1 GLU 150 HB3 -0.10 0.19 0.02 -0.04 1.99 2.05 1x9eA1 GLU 150 HG2 -0.15 0.04 -0.26 -0.04 2.34 1.93 1x9eA1 GLU 150 HG3 -0.08 -0.04 0.02 -0.04 2.34 2.20 1x9eA1 PRO 151 HA -0.44 0.07 0.44 -0.51 4.44 4.00 1x9eA1 PRO 151 HB2 -0.51 0.01 -0.06 -0.04 2.28 1.68 1x9eA1 PRO 151 HB3 -1.43 -0.05 0.06 -0.04 2.02 0.56 1x9eA1 PRO 151 HG2 -0.27 0.05 -0.01 -0.04 2.03 1.75 1x9eA1 PRO 151 HG3 -0.63 -0.01 -0.03 -0.04 2.03 1.33 1x9eA1 PRO 151 HD2 -0.24 0.15 -0.25 -0.04 3.68 3.31 1x9eA1 PRO 151 HD3 -0.18 0.16 -0.13 -0.04 3.65 3.45 1x9eA1 THR 152 H -0.15 0.74 -0.26 -0.55 8.28 8.06 1x9eA1 THR 152 HA -0.08 0.16 0.92 -0.75 4.39 4.64 1x9eA1 THR 152 HB 0.06 0.12 0.20 -0.04 4.32 4.66 1x9eA1 THR 152 HG23 -0.27 -0.03 -0.09 -0.04 1.22 0.80 1x9eA1 GLN 153 H 0.02 0.27 -0.22 -0.55 8.47 8.00 1x9eA1 GLN 153 HA 0.18 0.03 0.52 -0.75 4.36 4.34 1x9eA1 GLN 153 HB2 0.10 0.06 0.15 -0.04 2.15 2.42 1x9eA1 GLN 153 HB3 0.20 0.10 0.23 -0.04 2.02 2.50 1x9eA1 GLN 153 HG2 0.36 0.01 0.06 -0.04 2.40 2.79 1x9eA1 GLN 153 HG3 0.29 -0.01 -0.03 -0.04 2.39 2.60 1x9eA1 GLN 153 HE21 0.03 -0.08 0.00 -0.04 6.97 6.88 1x9eA1 GLN 153 HE22 0.19 0.15 0.07 -0.04 7.69 8.05 1x9eA1 GLY 154 H 0.03 0.42 0.47 -0.55 8.43 8.80 1x9eA1 GLY 154 HA2 0.01 0.15 0.51 -0.51 4.01 4.17 1x9eA1 GLY 154 HA3 -0.03 0.01 0.35 -0.51 4.01 3.82 1x9eA1 ALA 155 H -0.05 0.36 0.15 -0.55 8.40 8.32 1x9eA1 ALA 155 HA 0.01 0.09 0.65 -0.75 4.34 4.34 1x9eA1 ALA 155 HB3 0.06 0.02 -0.06 -0.04 1.41 1.38 1x9eA1 GLY 156 H -0.04 0.53 0.37 -0.55 8.43 8.74 1x9eA1 GLY 156 HA2 -0.79 0.00 0.27 -0.51 4.01 2.98 1x9eA1 GLY 156 HA3 -0.19 0.24 0.94 -0.51 4.01 4.48 1x9eA1 ALA 157 H 0.11 0.62 0.38 -0.55 8.40 8.96 1x9eA1 ALA 157 HA 0.13 0.09 0.64 -0.75 4.34 4.45 1x9eA1 ALA 157 HB3 0.21 0.01 -0.13 -0.04 1.41 1.46 1x9eA1 VAL 158 H 0.09 0.56 0.39 -0.55 8.24 8.73 1x9eA1 VAL 158 HA 0.17 0.31 1.12 -0.75 4.13 4.97 1x9eA1 VAL 158 HB 0.09 -0.15 0.12 -0.04 2.12 2.14 1x9eA1 VAL 158 HG13 0.13 0.03 -0.19 -0.04 0.97 0.89 1x9eA1 VAL 158 HG23 0.13 -0.02 -0.18 -0.04 0.95 0.83 1x9eA1 ALA 159 H 0.10 0.73 0.29 -0.55 8.40 8.98 1x9eA1 ALA 159 HA -0.01 0.14 1.09 -0.75 4.34 4.80 1x9eA1 ALA 159 HB3 0.02 0.02 -0.18 -0.04 1.41 1.23 1x9eA1 MET 160 H -0.04 0.56 0.29 -0.55 8.47 8.73 1x9eA1 MET 160 HA 0.02 0.37 1.14 -0.75 4.52 5.29 1x9eA1 MET 160 HB2 -0.08 0.06 0.18 -0.04 2.15 2.26 1x9eA1 MET 160 HB3 -0.02 -0.01 -0.02 -0.04 2.03 1.93 1x9eA1 MET 160 HG2 0.03 0.03 -0.00 -0.04 2.63 2.65 1x9eA1 MET 160 HG3 -0.02 -0.04 -0.42 -0.04 2.56 2.04 1x9eA1 MET 160 HE3 -0.45 0.01 -0.14 -0.04 2.10 1.48 1x9eA1 LEU 161 H 0.02 0.55 0.33 -0.55 8.37 8.72 1x9eA1 LEU 161 HA -0.01 0.17 0.79 -0.75 4.35 4.55 1x9eA1 LEU 161 HB2 0.01 0.04 0.04 -0.04 1.64 1.69 1x9eA1 LEU 161 HB3 0.01 -0.16 0.21 -0.04 1.64 1.66 1x9eA1 LEU 161 HG 0.00 0.00 -0.05 -0.04 1.64 1.55 1x9eA1 LEU 161 HD13 0.01 -0.00 -0.10 -0.04 0.93 0.79 1x9eA1 LEU 161 HD23 0.00 0.03 -0.08 -0.04 0.89 0.80 1x9eA1 VAL 162 H -0.00 0.77 0.34 -0.55 8.24 8.80 1x9eA1 VAL 162 HA 0.01 0.18 0.89 -0.75 4.13 4.46 1x9eA1 VAL 162 HB 0.01 -0.03 0.14 -0.04 2.12 2.19 1x9eA1 VAL 162 HG13 0.01 0.00 -0.20 -0.04 0.97 0.74 1x9eA1 VAL 162 HG23 -0.02 -0.01 -0.18 -0.04 0.95 0.69 1x9eA1 ALA 163 H 0.01 0.59 0.39 -0.55 8.40 8.84 1x9eA1 ALA 163 HA 0.02 0.25 0.78 -0.75 4.34 4.63 1x9eA1 ALA 163 HB3 0.01 -0.01 -0.12 -0.04 1.41 1.25 1x9eA1 SER 164 H 0.01 0.26 0.16 -0.55 8.46 8.35 1x9eA1 SER 164 HA 0.00 0.14 0.82 -0.75 4.49 4.69 1x9eA1 SER 164 HB2 -0.00 -0.00 0.10 -0.04 3.95 4.01 1x9eA1 SER 164 HB3 -0.00 0.07 0.13 -0.04 3.93 4.08 1x9eA1 GLU 165 H 0.00 0.73 0.30 -0.55 8.60 9.09 1x9eA1 GLU 165 HA 0.00 -0.07 0.31 -0.75 4.29 3.78 1x9eA1 GLU 165 HB2 -0.00 0.13 0.19 -0.04 2.09 2.37 1x9eA1 GLU 165 HB3 0.00 -0.04 0.14 -0.04 1.99 2.05 1x9eA1 GLU 165 HG2 0.00 -0.00 -0.19 -0.04 2.34 2.11 1x9eA1 GLU 165 HG3 0.00 -0.02 -0.02 -0.04 2.34 2.27 1x9eA1 PRO 166 HA -0.01 0.07 0.23 -0.51 4.44 4.21 1x9eA1 PRO 166 HB2 0.02 -0.01 -0.61 -0.04 2.28 1.63 1x9eA1 PRO 166 HB3 0.01 0.18 -0.45 -0.04 2.02 1.72 1x9eA1 PRO 166 HG2 0.02 -0.03 -0.46 -0.04 2.03 1.52 1x9eA1 PRO 166 HG3 0.02 -0.01 -0.57 -0.04 2.03 1.43 1x9eA1 PRO 166 HD2 0.01 -0.02 -0.19 -0.04 3.68 3.44 1x9eA1 PRO 166 HD3 0.01 0.20 -0.20 -0.04 3.65 3.62 1x9eA1 ARG 167 H -0.04 0.08 0.15 -0.55 8.46 8.10 1x9eA1 ARG 167 HA -0.04 0.20 0.63 -0.75 4.34 4.38 1x9eA1 ARG 167 HB2 -0.25 0.14 0.17 -0.04 1.90 1.92 1x9eA1 ARG 167 HB3 -0.50 -0.01 0.05 -0.04 1.80 1.30 1x9eA1 ARG 167 HG2 -0.17 0.02 -0.06 -0.04 1.67 1.41 1x9eA1 ARG 167 HG3 -0.13 0.02 -0.04 -0.04 1.67 1.48 1x9eA1 ARG 167 HD2 -1.06 0.01 0.01 -0.04 3.22 2.14 1x9eA1 ARG 167 HD3 -0.21 -0.03 -0.01 -0.04 3.22 2.92 1x9eA1 ILE 168 H 0.03 0.20 -0.00 -0.55 8.25 7.92 1x9eA1 ILE 168 HA 0.17 0.22 1.26 -0.75 4.18 5.07 1x9eA1 ILE 168 HB 0.08 0.08 0.05 -0.04 1.89 2.06 1x9eA1 ILE 168 HG12 0.20 0.06 -0.11 -0.04 1.49 1.60 1x9eA1 ILE 168 HG13 0.07 0.00 -0.25 -0.04 1.21 1.00 1x9eA1 ILE 168 HG23 0.11 -0.03 -0.17 -0.04 0.93 0.80 1x9eA1 ILE 168 HD13 0.13 0.01 -0.16 -0.04 0.88 0.82 1x9eA1 LEU 169 H 0.04 0.51 0.14 -0.55 8.37 8.51 1x9eA1 LEU 169 HA 0.01 0.40 1.17 -0.75 4.35 5.18 1x9eA1 LEU 169 HB2 0.03 0.01 -0.22 -0.04 1.64 1.41 1x9eA1 LEU 169 HB3 0.06 -0.14 0.11 -0.04 1.64 1.63 1x9eA1 LEU 169 HG 0.06 0.01 -0.31 -0.04 1.64 1.36 1x9eA1 LEU 169 HD13 -0.02 0.06 -0.32 -0.04 0.93 0.61 1x9eA1 LEU 169 HD23 0.09 -0.01 -0.16 -0.04 0.89 0.76 1x9eA1 ALA 170 H 0.02 0.54 0.18 -0.55 8.40 8.59 1x9eA1 ALA 170 HA 0.03 0.15 0.48 -0.75 4.34 4.24 1x9eA1 ALA 170 HB3 0.02 0.00 0.03 -0.04 1.41 1.43 1x9eA1 LEU 171 H 0.04 0.66 0.50 -0.55 8.37 9.01 1x9eA1 LEU 171 HA 0.09 0.08 0.91 -0.75 4.35 4.68 1x9eA1 LEU 171 HB2 0.02 0.06 0.15 -0.04 1.64 1.83 1x9eA1 LEU 171 HB3 0.06 0.02 0.10 -0.04 1.64 1.78 1x9eA1 LEU 171 HG 0.05 -0.02 0.20 -0.04 1.64 1.83 1x9eA1 LEU 171 HD13 -0.02 -0.01 -0.05 -0.04 0.93 0.81 1x9eA1 LEU 171 HD23 0.18 -0.03 -0.11 -0.04 0.89 0.89 1x9eA1 LYS 172 H 0.10 0.46 0.33 -0.55 8.42 8.75 1x9eA1 LYS 172 HA 0.04 0.20 0.67 -0.75 4.32 4.48 1x9eA1 LYS 172 HB2 0.10 -0.13 0.05 -0.04 1.87 1.85 1x9eA1 LYS 172 HB3 0.06 -0.04 0.10 -0.04 1.79 1.86 1x9eA1 LYS 172 HG2 0.05 0.04 -0.16 -0.04 1.46 1.35 1x9eA1 LYS 172 HG3 0.06 -0.06 -0.18 -0.04 1.46 1.25 1x9eA1 LYS 172 HD2 0.03 -0.00 -0.06 -0.04 1.69 1.62 1x9eA1 LYS 172 HD3 0.03 0.03 -0.04 -0.04 1.68 1.65 1x9eA1 LYS 172 HE2 0.02 -0.02 -0.15 -0.04 2.99 2.80 1x9eA1 LYS 172 HE3 0.01 0.02 -0.07 -0.04 2.99 2.91 1x9eA1 GLU 173 H 0.04 0.21 0.06 -0.55 8.60 8.37 1x9eA1 GLU 173 HA 0.05 0.17 1.05 -0.75 4.29 4.80 1x9eA1 GLU 173 HB2 0.02 0.01 0.18 -0.04 2.09 2.26 1x9eA1 GLU 173 HB3 0.02 0.08 0.00 -0.04 1.99 2.05 1x9eA1 GLU 173 HG2 0.02 -0.02 0.10 -0.04 2.34 2.39 1x9eA1 GLU 173 HG3 0.01 0.02 0.18 -0.04 2.34 2.51 1x9eA1 ASP 174 H 0.12 0.12 -0.13 -0.55 8.40 7.96 1x9eA1 ASP 174 HA 0.07 0.28 0.80 -0.75 4.63 5.03 1x9eA1 ASP 174 HB2 0.27 0.06 0.09 -0.04 2.71 3.09 1x9eA1 ASP 174 HB3 0.13 0.02 -0.08 -0.04 2.70 2.74 1x9eA1 ASN 175 H 0.12 -0.01 -0.04 -0.55 8.53 8.05 1x9eA1 ASN 175 HA 0.24 0.23 0.49 -0.75 4.76 4.96 1x9eA1 ASN 175 HB2 0.07 0.01 0.05 -0.04 2.88 2.96 1x9eA1 ASN 175 HB3 0.11 -0.01 -0.03 -0.04 2.79 2.82 1x9eA1 ASN 175 HD21 -0.17 0.04 0.00 -0.04 7.03 6.86 1x9eA1 ASN 175 HD22 -0.07 -0.02 -0.05 -0.04 7.74 7.56 1x9eA1 VAL 176 H 0.26 0.48 0.36 -0.55 8.24 8.79 1x9eA1 VAL 176 HA 0.10 0.24 0.97 -0.75 4.13 4.69 1x9eA1 VAL 176 HB 0.20 -0.06 0.22 -0.04 2.12 2.44 1x9eA1 VAL 176 HG13 0.06 -0.01 -0.03 -0.04 0.97 0.94 1x9eA1 VAL 176 HG23 0.13 0.05 -0.07 -0.04 0.95 1.02 1x9eA1 MET 177 H 0.07 0.24 0.12 -0.55 8.47 8.36 1x9eA1 MET 177 HA 0.08 0.22 1.07 -0.75 4.52 5.13 1x9eA1 MET 177 HB2 -0.01 0.01 0.08 -0.04 2.15 2.19 1x9eA1 MET 177 HB3 0.08 -0.04 0.01 -0.04 2.03 2.04 1x9eA1 MET 177 HG2 0.04 0.00 0.05 -0.04 2.63 2.68 1x9eA1 MET 177 HG3 0.02 -0.01 -0.09 -0.04 2.56 2.44 1x9eA1 MET 177 HE3 0.06 -0.04 -0.23 -0.04 2.10 1.85 1x9eA1 LEU 178 H -0.04 0.61 0.34 -0.55 8.37 8.73 1x9eA1 LEU 178 HA -0.01 0.17 0.87 -0.75 4.35 4.63 1x9eA1 LEU 178 HB2 0.05 -0.01 -0.31 -0.04 1.64 1.33 1x9eA1 LEU 178 HB3 0.02 -0.07 -0.05 -0.04 1.64 1.50 1x9eA1 LEU 178 HG 0.02 0.05 -0.08 -0.04 1.64 1.59 1x9eA1 LEU 178 HD13 0.06 -0.01 -0.14 -0.04 0.93 0.79 1x9eA1 LEU 178 HD23 0.00 -0.05 -0.10 -0.04 0.89 0.70 1x9eA1 THR 179 H -0.03 0.28 0.20 -0.55 8.28 8.18 1x9eA1 THR 179 HA -0.10 0.27 1.09 -0.75 4.39 4.90 1x9eA1 THR 179 HB -0.04 -0.01 0.08 -0.04 4.32 4.31 1x9eA1 THR 179 HG23 -0.06 -0.00 -0.07 -0.04 1.22 1.05 1x9eA1 GLN 180 H -0.07 0.60 0.30 -0.55 8.47 8.76 1x9eA1 GLN 180 HA -0.02 0.11 0.68 -0.75 4.36 4.37 1x9eA1 GLN 180 HB2 0.00 -0.05 -0.00 -0.04 2.15 2.06 1x9eA1 GLN 180 HB3 0.00 0.01 -0.10 -0.04 2.02 1.89 1x9eA1 GLN 180 HG2 0.01 0.05 0.02 -0.04 2.40 2.44 1x9eA1 GLN 180 HG3 0.00 -0.00 -0.53 -0.04 2.39 1.82 1x9eA1 GLN 180 HE21 0.08 0.00 -0.14 -0.04 6.97 6.87 1x9eA1 GLN 180 HE22 0.06 -0.02 -0.22 -0.04 7.69 7.47 1x9eA1 ASP 181 H -0.04 0.16 0.12 -0.55 8.40 8.09 1x9eA1 ASP 181 HA -0.15 0.26 0.78 -0.75 4.63 4.77 1x9eA1 ASP 181 HB2 -0.05 -0.01 0.12 -0.04 2.71 2.72 1x9eA1 ASP 181 HB3 -0.03 -0.02 0.23 -0.04 2.70 2.84 1x9eA1 ILE 182 H -0.18 1.40 0.34 -0.55 8.25 9.26 1x9eA1 ILE 182 HA -0.03 0.10 0.76 -0.75 4.18 4.26 1x9eA1 ILE 182 HB 0.01 -0.04 -0.16 -0.04 1.89 1.66 1x9eA1 ILE 182 HG12 0.03 0.04 -0.15 -0.04 1.49 1.36 1x9eA1 ILE 182 HG13 -0.01 -0.03 -0.93 -0.04 1.21 0.19 1x9eA1 ILE 182 HG23 0.09 -0.05 -0.20 -0.04 0.93 0.73 1x9eA1 ILE 182 HD13 0.05 0.01 -0.16 -0.04 0.88 0.74 1x9eA1 TYR 183 H 0.07 0.21 0.03 -0.55 8.29 8.05 1x9eA1 TYR 183 HA -0.13 0.18 0.83 -0.75 4.56 4.68 1x9eA1 TYR 183 HB2 -0.40 0.02 0.14 -0.04 3.06 2.77 1x9eA1 TYR 183 HB3 -1.29 0.01 0.08 -0.04 2.98 1.74 1x9eA1 TYR 183 HD2 -1.10 -0.01 -0.08 -0.04 7.15 5.92 1x9eA1 TYR 183 HE2 -0.33 0.00 -0.06 -0.04 6.85 6.42 1x9eA1 ASP 184 H 0.16 0.37 -0.09 -0.55 8.40 8.29 1x9eA1 ASP 184 HA 0.32 0.09 0.48 -0.75 4.63 4.77 1x9eA1 ASP 184 HB2 0.30 -0.02 -0.07 -0.04 2.71 2.89 1x9eA1 ASP 184 HB3 0.23 0.06 -0.10 -0.04 2.70 2.85 1x9eA1 PHE 185 H 0.53 0.18 0.08 -0.55 8.34 8.57 1x9eA1 PHE 185 HA 0.36 0.39 0.83 -0.75 4.62 5.45 1x9eA1 PHE 185 HB2 0.26 0.06 -0.21 -0.04 3.15 3.23 1x9eA1 PHE 185 HB3 0.24 -0.18 0.04 -0.04 3.06 3.11 1x9eA1 PHE 185 HD2 0.22 -0.02 -0.32 -0.04 7.28 7.12 1x9eA1 PHE 185 HE2 0.24 0.00 -0.07 -0.04 7.38 7.51 1x9eA1 PHE 185 HZ -0.05 0.06 -0.03 -0.04 7.32 7.26 1x9eA1 TRP 186 H -0.32 0.69 0.37 -0.55 7.97 8.15 1x9eA1 TRP 186 HA 0.14 0.08 0.55 -0.75 4.62 4.63 1x9eA1 TRP 186 HB2 0.14 -0.03 0.10 -0.04 3.23 3.40 1x9eA1 TRP 186 HB3 0.19 0.08 -0.26 -0.04 3.23 3.20 1x9eA1 TRP 186 HD1 0.03 -0.01 -0.13 -0.04 7.22 7.08 1x9eA1 TRP 186 HE1 -0.08 0.03 -0.05 -0.04 10.20 10.05 1x9eA1 TRP 186 HE3 0.20 -0.29 -0.54 -0.04 7.59 6.91 1x9eA1 TRP 186 HZ2 -0.03 0.02 -0.06 -0.04 7.44 7.33 1x9eA1 TRP 186 HZ3 0.16 0.13 -0.34 -0.04 7.13 7.04 1x9eA1 TRP 186 HH2 0.06 0.00 -0.12 -0.04 7.19 7.09 1x9eA1 ARG 187 H 0.23 0.19 0.03 -0.55 8.46 8.36 1x9eA1 ARG 187 HA -0.24 0.16 0.76 -0.75 4.34 4.27 1x9eA1 ARG 187 HB2 -0.04 -0.15 -0.26 -0.04 1.90 1.41 1x9eA1 ARG 187 HB3 0.03 -0.02 0.14 -0.04 1.80 1.90 1x9eA1 ARG 187 HG2 -0.00 0.29 -0.12 -0.04 1.67 1.79 1x9eA1 ARG 187 HG3 -0.10 -0.07 -0.34 -0.04 1.67 1.12 1x9eA1 ARG 187 HD2 0.01 -0.00 -0.11 -0.04 3.22 3.07 1x9eA1 ARG 187 HD3 0.04 -0.13 -0.01 -0.04 3.22 3.08 1x9eA1 PRO 188 HA 0.07 -0.01 0.42 -0.51 4.44 4.40 1x9eA1 PRO 188 HB2 -0.33 0.12 -0.05 -0.04 2.28 1.98 1x9eA1 PRO 188 HB3 -0.04 0.01 0.10 -0.04 2.02 2.05 1x9eA1 PRO 188 HG2 -0.56 0.07 0.04 -0.04 2.03 1.54 1x9eA1 PRO 188 HG3 0.12 -0.00 0.04 -0.04 2.03 2.14 1x9eA1 PRO 188 HD2 -0.69 0.19 0.16 -0.04 3.68 3.30 1x9eA1 PRO 188 HD3 -0.44 0.04 -0.01 -0.04 3.65 3.20 1x9eA1 THR 189 H 0.04 0.06 0.19 -0.55 8.28 8.01 1x9eA1 THR 189 HA 0.04 0.06 0.36 -0.75 4.39 4.10 1x9eA1 THR 189 HB 0.04 0.01 0.07 -0.04 4.32 4.39 1x9eA1 THR 189 HG23 0.03 0.01 -0.00 -0.04 1.22 1.21 1x9eA1 GLY 190 H 0.04 0.12 0.12 -0.55 8.43 8.16 1x9eA1 GLY 190 HA2 0.03 -0.03 0.35 -0.51 4.01 3.84 1x9eA1 GLY 190 HA3 0.07 0.16 0.72 -0.51 4.01 4.45 1x9eA1 HIS 191 H 0.15 0.52 -0.33 -0.55 8.41 8.22 1x9eA1 HIS 191 HA -0.05 0.13 0.74 -0.75 4.63 4.70 1x9eA1 HIS 191 HB2 -0.05 0.14 0.08 -0.04 3.26 3.40 1x9eA1 HIS 191 HB3 -0.07 0.23 0.02 -0.04 3.20 3.34 1x9eA1 HIS 191 HD2 -0.11 0.06 0.01 -0.04 6.97 6.88 1x9eA1 HIS 191 HE1 0.01 -0.03 -0.05 -0.04 7.75 7.64 1x9eA1 PRO 192 HA -0.17 0.03 0.37 -0.51 4.44 4.15 1x9eA1 PRO 192 HB2 -0.78 -0.00 0.00 -0.04 2.28 1.46 1x9eA1 PRO 192 HB3 -0.43 0.02 0.06 -0.04 2.02 1.62 1x9eA1 PRO 192 HG2 -0.21 0.01 0.09 -0.04 2.03 1.88 1x9eA1 PRO 192 HG3 -0.16 0.02 0.04 -0.04 2.03 1.89 1x9eA1 PRO 192 HD2 -0.17 0.04 0.26 -0.04 3.68 3.77 1x9eA1 PRO 192 HD3 -0.11 0.53 0.29 -0.04 3.65 4.31 1x9eA1 TYR 193 H -0.10 0.08 -0.12 -0.55 8.29 7.60 1x9eA1 TYR 193 HA -0.04 0.24 0.91 -0.75 4.56 4.92 1x9eA1 TYR 193 HB2 -0.02 -0.07 0.04 -0.04 3.06 2.96 1x9eA1 TYR 193 HB3 0.00 0.11 0.07 -0.04 2.98 3.11 1x9eA1 TYR 193 HD2 -0.01 0.11 -0.13 -0.04 7.15 7.07 1x9eA1 TYR 193 HE2 0.00 -0.04 -0.13 -0.04 6.85 6.65 1x9eA1 PRO 194 HA -0.28 0.12 0.60 -0.51 4.44 4.37 1x9eA1 PRO 194 HB2 -1.10 -0.02 -0.05 -0.04 2.28 1.06 1x9eA1 PRO 194 HB3 -0.55 -0.03 0.03 -0.04 2.02 1.43 1x9eA1 PRO 194 HG2 -0.01 -0.05 0.08 -0.04 2.03 2.00 1x9eA1 PRO 194 HG3 -0.05 -0.02 0.07 -0.04 2.03 1.99 1x9eA1 PRO 194 HD2 0.08 0.18 0.37 -0.04 3.68 4.28 1x9eA1 PRO 194 HD3 0.02 0.19 0.22 -0.04 3.65 4.04 1x9eA1 MET 195 H -0.74 0.92 0.49 -0.55 8.47 8.60 1x9eA1 MET 195 HA -0.44 0.09 0.61 -0.75 4.52 4.03 1x9eA1 MET 195 HB2 -2.47 -0.08 0.14 -0.04 2.15 -0.30 1x9eA1 MET 195 HB3 -1.71 -0.01 -0.01 -0.04 2.03 0.25 1x9eA1 MET 195 HG2 -0.52 0.08 0.03 -0.04 2.63 2.18 1x9eA1 MET 195 HG3 -0.81 -0.05 -0.01 -0.04 2.56 1.65 1x9eA1 MET 195 HE3 -0.01 -0.01 -0.01 -0.04 2.10 2.03 1x9eA1 VAL 196 H -0.22 0.22 0.18 -0.55 8.24 7.87 1x9eA1 VAL 196 HA -0.01 0.30 1.32 -0.75 4.13 4.99 1x9eA1 VAL 196 HB 0.02 0.00 0.12 -0.04 2.12 2.23 1x9eA1 VAL 196 HG13 0.14 -0.04 -0.28 -0.04 0.97 0.75 1x9eA1 VAL 196 HG23 0.16 0.01 -0.22 -0.04 0.95 0.86 1x9eA1 ASP 197 H 0.31 0.80 0.22 -0.55 8.40 9.19 1x9eA1 ASP 197 HA 0.17 0.15 0.82 -0.75 4.63 5.01 1x9eA1 ASP 197 HB2 0.37 0.12 0.10 -0.04 2.71 3.26 1x9eA1 ASP 197 HB3 0.31 -0.00 0.32 -0.04 2.70 3.28 1x9eA1 GLY 198 H 0.10 0.28 -0.03 -0.55 8.43 8.24 1x9eA1 GLY 198 HA2 0.12 0.06 0.37 -0.51 4.01 4.05 1x9eA1 GLY 198 HA3 0.08 0.12 0.34 -0.51 4.01 4.03 1x9eA1 PRO 199 HA 0.08 0.09 0.43 -0.51 4.44 4.53 1x9eA1 PRO 199 HB2 0.08 0.03 -0.00 -0.04 2.28 2.35 1x9eA1 PRO 199 HB3 0.06 0.08 0.06 -0.04 2.02 2.18 1x9eA1 PRO 199 HG2 0.06 0.10 0.06 -0.04 2.03 2.21 1x9eA1 PRO 199 HG3 0.05 0.08 0.04 -0.04 2.03 2.16 1x9eA1 PRO 199 HD2 0.09 0.09 0.08 -0.04 3.68 3.90 1x9eA1 PRO 199 HD3 0.07 0.11 0.18 -0.04 3.65 3.96 1x9eA1 LEU 200 H 0.13 0.16 -0.32 -0.55 8.37 7.79 1x9eA1 LEU 200 HA 0.11 0.07 0.46 -0.75 4.35 4.24 1x9eA1 LEU 200 HB2 0.13 0.01 0.04 -0.04 1.64 1.79 1x9eA1 LEU 200 HB3 0.19 0.14 0.08 -0.04 1.64 2.02 1x9eA1 LEU 200 HG 0.17 -0.08 -0.21 -0.04 1.64 1.48 1x9eA1 LEU 200 HD13 0.10 -0.00 -0.01 -0.04 0.93 0.98 1x9eA1 LEU 200 HD23 0.15 0.05 -0.24 -0.04 0.89 0.81 1x9eA1 SER 201 H 0.17 0.47 -0.21 -0.55 8.46 8.35 1x9eA1 SER 201 HA 0.24 -0.07 0.36 -0.75 4.49 4.27 1x9eA1 SER 201 HB2 0.26 0.19 0.10 -0.04 3.95 4.45 1x9eA1 SER 201 HB3 0.17 0.10 0.11 -0.04 3.93 4.27 1x9eA1 ASN 202 H 0.11 0.45 -0.15 -0.55 8.53 8.40 1x9eA1 ASN 202 HA 0.05 0.01 0.35 -0.75 4.76 4.41 1x9eA1 ASN 202 HB2 0.08 0.09 0.24 -0.04 2.88 3.25 1x9eA1 ASN 202 HB3 0.06 0.02 -0.03 -0.04 2.79 2.81 1x9eA1 ASN 202 HD21 0.10 -0.00 -0.03 -0.04 7.03 7.06 1x9eA1 ASN 202 HD22 0.09 0.14 0.04 -0.04 7.74 7.96 1x9eA1 GLU 203 H 0.08 0.55 0.01 -0.55 8.60 8.69 1x9eA1 GLU 203 HA 0.06 0.04 0.47 -0.75 4.29 4.10 1x9eA1 GLU 203 HB2 0.08 0.04 0.10 -0.04 2.09 2.27 1x9eA1 GLU 203 HB3 0.06 -0.01 0.01 -0.04 1.99 2.01 1x9eA1 GLU 203 HG2 0.04 -0.01 0.03 -0.04 2.34 2.36 1x9eA1 GLU 203 HG3 0.06 0.06 0.12 -0.04 2.34 2.53 1x9eA1 THR 204 H 0.13 0.54 -0.32 -0.55 8.28 8.08 1x9eA1 THR 204 HA 0.12 0.05 0.43 -0.75 4.39 4.25 1x9eA1 THR 204 HB 0.25 0.03 0.08 -0.04 4.32 4.64 1x9eA1 THR 204 HG23 0.22 -0.03 -0.06 -0.04 1.22 1.31 1x9eA1 TYR 205 H 0.15 0.54 -0.21 -0.55 8.29 8.21 1x9eA1 TYR 205 HA -0.55 -0.01 0.36 -0.75 4.56 3.60 1x9eA1 TYR 205 HB2 -0.43 -0.04 0.07 -0.04 3.06 2.62 1x9eA1 TYR 205 HB3 -0.15 0.17 0.19 -0.04 2.98 3.15 1x9eA1 TYR 205 HD2 -0.50 -0.01 -0.11 -0.04 7.15 6.49 1x9eA1 TYR 205 HE2 0.07 0.05 -0.20 -0.04 6.85 6.73 1x9eA1 ILE 206 H 0.09 0.57 -0.04 -0.55 8.25 8.33 1x9eA1 ILE 206 HA -0.18 0.02 0.41 -0.75 4.18 3.67 1x9eA1 ILE 206 HB 0.02 0.06 0.09 -0.04 1.89 2.02 1x9eA1 ILE 206 HG12 -0.01 -0.04 -0.08 -0.04 1.49 1.32 1x9eA1 ILE 206 HG13 0.15 0.01 0.06 -0.04 1.21 1.39 1x9eA1 ILE 206 HG23 -0.03 -0.00 -0.14 -0.04 0.93 0.73 1x9eA1 ILE 206 HD13 0.01 -0.01 -0.13 -0.04 0.88 0.71 1x9eA1 GLN 207 H 0.03 0.59 -0.20 -0.55 8.47 8.35 1x9eA1 GLN 207 HA 0.02 0.03 0.50 -0.75 4.36 4.15 1x9eA1 GLN 207 HB2 0.06 0.17 0.12 -0.04 2.15 2.46 1x9eA1 GLN 207 HB3 0.05 -0.06 -0.06 -0.04 2.02 1.91 1x9eA1 GLN 207 HG2 0.03 -0.00 0.02 -0.04 2.40 2.41 1x9eA1 GLN 207 HG3 0.04 -0.04 -0.03 -0.04 2.39 2.32 1x9eA1 GLN 207 HE21 0.02 0.01 -0.02 -0.04 6.97 6.93 1x9eA1 GLN 207 HE22 0.02 -0.01 -0.03 -0.04 7.69 7.64 1x9eA1 SER 208 H 0.08 0.54 -0.25 -0.55 8.46 8.28 1x9eA1 SER 208 HA 0.13 0.01 0.34 -0.75 4.49 4.22 1x9eA1 SER 208 HB2 0.34 0.10 0.15 -0.04 3.95 4.50 1x9eA1 SER 208 HB3 0.43 -0.08 -0.09 -0.04 3.93 4.16 1x9eA1 PHE 209 H -0.08 0.50 -0.21 -0.55 8.34 8.00 1x9eA1 PHE 209 HA -0.51 -0.02 0.30 -0.75 4.62 3.64 1x9eA1 PHE 209 HB2 -1.63 -0.03 0.05 -0.04 3.15 1.50 1x9eA1 PHE 209 HB3 -0.56 0.17 0.10 -0.04 3.06 2.73 1x9eA1 PHE 209 HD2 -0.76 0.03 -0.09 -0.04 7.28 6.41 1x9eA1 PHE 209 HE2 -0.21 0.01 -0.09 -0.04 7.38 7.04 1x9eA1 PHE 209 HZ -0.31 -0.00 -0.11 -0.04 7.32 6.86 1x9eA1 ALA 210 H -0.04 0.37 -0.28 -0.55 8.40 7.91 1x9eA1 ALA 210 HA -0.21 0.03 0.35 -0.75 4.34 3.75 1x9eA1 ALA 210 HB3 -0.01 0.04 0.07 -0.04 1.41 1.48 1x9eA1 GLN 211 H -0.02 0.62 -0.07 -0.55 8.47 8.45 1x9eA1 GLN 211 HA -0.02 0.00 0.39 -0.75 4.36 3.98 1x9eA1 GLN 211 HB2 0.03 0.11 0.12 -0.04 2.15 2.36 1x9eA1 GLN 211 HB3 0.01 -0.04 -0.07 -0.04 2.02 1.88 1x9eA1 GLN 211 HG2 0.01 -0.05 0.02 -0.04 2.40 2.34 1x9eA1 GLN 211 HG3 0.01 0.12 0.09 -0.04 2.39 2.57 1x9eA1 GLN 211 HE21 0.05 -0.07 -0.16 -0.04 6.97 6.76 1x9eA1 GLN 211 HE22 0.05 0.20 -0.42 -0.04 7.69 7.48 1x9eA1 VAL 212 H -0.02 0.62 -0.23 -0.55 8.24 8.06 1x9eA1 VAL 212 HA 0.02 0.03 0.47 -0.75 4.13 3.89 1x9eA1 VAL 212 HB 0.14 0.20 0.04 -0.04 2.12 2.46 1x9eA1 VAL 212 HG13 0.22 -0.01 -0.23 -0.04 0.97 0.92 1x9eA1 VAL 212 HG23 0.15 -0.04 -0.26 -0.04 0.95 0.76 1x9eA1 TRP 213 H -0.26 0.68 -0.12 -0.55 7.97 7.73 1x9eA1 TRP 213 HA -0.75 -0.01 0.33 -0.75 4.62 3.43 1x9eA1 TRP 213 HB2 -1.33 -0.04 0.07 -0.04 3.23 1.90 1x9eA1 TRP 213 HB3 -0.76 0.16 0.20 -0.04 3.23 2.80 1x9eA1 TRP 213 HD1 -0.23 0.04 -0.14 -0.04 7.22 6.86 1x9eA1 TRP 213 HE1 -0.12 -0.01 -0.05 -0.04 10.20 9.97 1x9eA1 TRP 213 HE3 -1.37 -0.02 -0.07 -0.04 7.59 6.09 1x9eA1 TRP 213 HZ2 -0.64 -0.21 0.01 -0.04 7.44 6.55 1x9eA1 TRP 213 HZ3 -0.67 -0.01 -0.18 -0.04 7.13 6.23 1x9eA1 TRP 213 HH2 -0.50 -0.02 -0.55 -0.04 7.19 6.09 1x9eA1 ASP 214 H -0.05 0.74 -0.06 -0.55 8.40 8.48 1x9eA1 ASP 214 HA -0.25 0.01 0.38 -0.75 4.63 4.02 1x9eA1 ASP 214 HB2 -0.05 0.09 0.10 -0.04 2.71 2.81 1x9eA1 ASP 214 HB3 -0.05 -0.05 -0.02 -0.04 2.70 2.54 1x9eA1 GLU 215 H -0.12 0.44 -0.30 -0.55 8.60 8.08 1x9eA1 GLU 215 HA -0.09 0.02 0.47 -0.75 4.29 3.93 1x9eA1 GLU 215 HB2 -0.04 0.05 0.13 -0.04 2.09 2.19 1x9eA1 GLU 215 HB3 -0.04 0.12 0.18 -0.04 1.99 2.21 1x9eA1 GLU 215 HG2 -0.01 -0.01 0.01 -0.04 2.34 2.29 1x9eA1 GLU 215 HG3 -0.03 0.01 -0.16 -0.04 2.34 2.12 1x9eA1 HIS 216 H -0.13 0.58 -0.06 -0.55 8.41 8.25 1x9eA1 HIS 216 HA -0.11 0.06 0.40 -0.75 4.63 4.23 1x9eA1 HIS 216 HB2 -0.07 0.01 0.13 -0.04 3.26 3.30 1x9eA1 HIS 216 HB3 -0.57 0.09 0.16 -0.04 3.20 2.84 1x9eA1 HIS 216 HD2 0.20 0.36 0.01 -0.04 6.97 7.49 1x9eA1 HIS 216 HE1 0.24 -0.03 -0.15 -0.04 7.75 7.77 1x9eA1 LYS 217 H -0.58 0.66 -0.15 -0.55 8.42 7.79 1x9eA1 LYS 217 HA -0.44 0.06 0.42 -0.75 4.32 3.61 1x9eA1 LYS 217 HB2 -1.06 0.02 0.09 -0.04 1.87 0.88 1x9eA1 LYS 217 HB3 -0.43 0.09 0.11 -0.04 1.79 1.51 1x9eA1 LYS 217 HG2 -0.18 -0.02 -0.24 -0.04 1.46 0.98 1x9eA1 LYS 217 HG3 -0.25 0.06 -0.21 -0.04 1.46 1.02 1x9eA1 LYS 217 HD2 0.01 -0.09 -0.11 -0.04 1.69 1.46 1x9eA1 LYS 217 HD3 -0.10 -0.02 -0.03 -0.04 1.68 1.48 1x9eA1 LYS 217 HE2 -0.08 0.07 -0.05 -0.04 2.99 2.90 1x9eA1 LYS 217 HE3 0.00 -0.02 -0.06 -0.04 2.99 2.86 1x9eA1 LYS 218 H -0.23 0.55 -0.20 -0.55 8.42 7.98 1x9eA1 LYS 218 HA -0.12 -0.02 0.44 -0.75 4.32 3.87 1x9eA1 LYS 218 HB2 -0.11 0.05 0.17 -0.04 1.87 1.94 1x9eA1 LYS 218 HB3 -0.11 0.13 0.24 -0.04 1.79 2.01 1x9eA1 LYS 218 HG2 -0.07 0.01 -0.07 -0.04 1.46 1.29 1x9eA1 LYS 218 HG3 -0.06 -0.06 0.05 -0.04 1.46 1.35 1x9eA1 LYS 218 HD2 -0.05 -0.05 -0.00 -0.04 1.69 1.55 1x9eA1 LYS 218 HD3 -0.06 0.02 0.02 -0.04 1.68 1.62 1x9eA1 LYS 218 HE2 -0.04 0.03 -0.04 -0.04 2.99 2.89 1x9eA1 LYS 218 HE3 -0.04 -0.04 -0.01 -0.04 2.99 2.87 1x9eA1 ARG 219 H -0.19 0.50 -0.17 -0.55 8.46 8.04 1x9eA1 ARG 219 HA -0.10 0.11 0.75 -0.75 4.34 4.34 1x9eA1 ARG 219 HB2 -0.17 0.05 0.10 -0.04 1.90 1.84 1x9eA1 ARG 219 HB3 -0.10 -0.06 0.10 -0.04 1.80 1.71 1x9eA1 ARG 219 HG2 -0.06 -0.06 0.00 -0.04 1.67 1.50 1x9eA1 ARG 219 HG3 -0.09 0.14 0.03 -0.04 1.67 1.71 1x9eA1 ARG 219 HD2 -0.05 0.03 -0.06 -0.04 3.22 3.10 1x9eA1 ARG 219 HD3 -0.04 -0.01 -0.00 -0.04 3.22 3.12 1x9eA1 THR 220 H -0.28 0.31 -0.08 -0.55 8.28 7.67 1x9eA1 THR 220 HA -0.15 0.25 1.11 -0.75 4.39 4.85 1x9eA1 THR 220 HB -0.18 -0.07 0.12 -0.04 4.32 4.15 1x9eA1 THR 220 HG23 -0.39 0.01 -0.08 -0.04 1.22 0.72 1x9eA1 GLY 221 H -0.19 0.63 0.10 -0.55 8.43 8.43 1x9eA1 GLY 221 HA2 -0.11 0.08 0.35 -0.51 4.01 3.82 1x9eA1 GLY 221 HA3 -0.08 0.02 0.39 -0.51 4.01 3.82 1x9eA1 LEU 222 H -0.17 0.04 -0.48 -0.55 8.37 7.22 1x9eA1 LEU 222 HA -0.03 0.05 0.57 -0.75 4.35 4.19 1x9eA1 LEU 222 HB2 0.10 -0.04 -0.06 -0.04 1.64 1.60 1x9eA1 LEU 222 HB3 -0.01 0.00 -0.07 -0.04 1.64 1.52 1x9eA1 LEU 222 HG -0.08 0.15 -0.11 -0.04 1.64 1.57 1x9eA1 LEU 222 HD13 0.03 -0.01 -0.07 -0.04 0.93 0.84 1x9eA1 LEU 222 HD23 -0.07 0.01 -0.04 -0.04 0.89 0.74 1x9eA1 ASP 223 H 0.08 0.08 0.15 -0.55 8.40 8.17 1x9eA1 ASP 223 HA 0.18 0.25 0.75 -0.75 4.63 5.06 1x9eA1 ASP 223 HB2 0.09 0.16 -0.10 -0.04 2.71 2.83 1x9eA1 ASP 223 HB3 0.19 -0.12 0.03 -0.04 2.70 2.76 1x9eA1 PHE 224 H 0.49 0.19 0.10 -0.55 8.34 8.57 1x9eA1 PHE 224 HA 0.45 0.12 0.28 -0.75 4.62 4.73 1x9eA1 PHE 224 HB2 0.11 -0.05 0.11 -0.04 3.15 3.27 1x9eA1 PHE 224 HB3 0.07 0.07 -0.01 -0.04 3.06 3.15 1x9eA1 PHE 224 HD2 -0.03 -0.00 -0.00 -0.04 7.28 7.20 1x9eA1 PHE 224 HE2 -0.48 0.07 -0.10 -0.04 7.38 6.83 1x9eA1 PHE 224 HZ -0.96 0.02 -0.12 -0.04 7.32 6.21 1x9eA1 ALA 225 H 0.29 0.03 -0.22 -0.55 8.40 7.95 1x9eA1 ALA 225 HA 0.17 0.10 0.40 -0.75 4.34 4.26 1x9eA1 ALA 225 HB3 0.12 -0.00 0.04 -0.04 1.41 1.53 1x9eA1 ASP 226 H 0.19 0.28 -0.38 -0.55 8.40 7.94 1x9eA1 ASP 226 HA 0.02 0.09 0.39 -0.75 4.63 4.37 1x9eA1 ASP 226 HB2 -0.06 0.12 0.02 -0.04 2.71 2.76 1x9eA1 ASP 226 HB3 -0.13 0.01 0.12 -0.04 2.70 2.67 1x9eA1 TYR 227 H 0.30 0.45 -0.52 -0.55 8.29 7.97 1x9eA1 TYR 227 HA 0.11 0.14 1.09 -0.75 4.56 5.15 1x9eA1 TYR 227 HB2 0.23 0.05 0.03 -0.04 3.06 3.33 1x9eA1 TYR 227 HB3 0.17 -0.01 -0.12 -0.04 2.98 2.98 1x9eA1 TYR 227 HD2 0.19 0.09 -0.30 -0.04 7.15 7.10 1x9eA1 TYR 227 HE2 0.09 0.01 -0.32 -0.04 6.85 6.58 1x9eA1 ASP 228 H 0.15 0.30 0.33 -0.55 8.40 8.64 1x9eA1 ASP 228 HA 0.11 0.08 0.55 -0.75 4.63 4.62 1x9eA1 ASP 228 HB2 0.08 0.04 0.06 -0.04 2.71 2.84 1x9eA1 ASP 228 HB3 0.07 -0.01 0.03 -0.04 2.70 2.75 1x9eA1 ALA 229 H 0.19 0.43 0.18 -0.55 8.40 8.65 1x9eA1 ALA 229 HA 0.13 0.14 0.26 -0.75 4.34 4.11 1x9eA1 ALA 229 HB3 0.06 0.03 0.01 -0.04 1.41 1.47 1x9eA1 LEU 230 H 0.13 0.29 0.11 -0.55 8.37 8.36 1x9eA1 LEU 230 HA -0.04 0.19 0.99 -0.75 4.35 4.73 1x9eA1 LEU 230 HB2 0.29 -0.01 0.01 -0.04 1.64 1.90 1x9eA1 LEU 230 HB3 0.01 0.01 -0.09 -0.04 1.64 1.52 1x9eA1 LEU 230 HG 0.16 -0.02 -0.37 -0.04 1.64 1.36 1x9eA1 LEU 230 HD13 0.34 0.00 -0.10 -0.04 0.93 1.13 1x9eA1 LEU 230 HD23 -0.10 -0.01 -0.06 -0.04 0.89 0.68 1x9eA1 ALA 231 H -0.20 0.79 0.37 -0.55 8.40 8.82 1x9eA1 ALA 231 HA 0.10 0.17 0.86 -0.75 4.34 4.73 1x9eA1 ALA 231 HB3 -0.10 0.00 -0.07 -0.04 1.41 1.21 1x9eA1 PHE 232 H 0.30 0.20 0.11 -0.55 8.34 8.40 1x9eA1 PHE 232 HA 0.15 0.29 1.36 -0.75 4.62 5.67 1x9eA1 PHE 232 HB2 0.20 -0.05 -0.04 -0.04 3.15 3.22 1x9eA1 PHE 232 HB3 0.24 0.24 -0.07 -0.04 3.06 3.44 1x9eA1 PHE 232 HD2 0.15 0.03 -0.15 -0.04 7.28 7.27 1x9eA1 PHE 232 HE2 -0.89 0.01 -0.15 -0.04 7.38 6.32 1x9eA1 PHE 232 HZ -0.57 0.02 -0.13 -0.04 7.32 6.59 1x9eA1 HIS 233 H 0.38 0.40 0.29 -0.55 8.41 8.94 1x9eA1 HIS 233 HA 0.10 -0.04 0.54 -0.75 4.63 4.47 1x9eA1 HIS 233 HB2 0.10 -0.04 0.22 -0.04 3.26 3.50 1x9eA1 HIS 233 HB3 0.22 0.02 0.17 -0.04 3.20 3.56 1x9eA1 HIS 233 HD2 0.40 -0.01 -0.30 -0.04 6.97 7.01 1x9eA1 HIS 233 HE1 0.21 -0.11 0.00 -0.04 7.75 7.81 1x9eA1 ILE 234 H -0.61 0.19 0.08 -0.55 8.25 7.36 1x9eA1 ILE 234 HA -0.36 0.22 0.73 -0.75 4.18 4.02 1x9eA1 ILE 234 HB -0.22 -0.02 -0.17 -0.04 1.89 1.45 1x9eA1 ILE 234 HG12 -0.06 0.07 -0.18 -0.04 1.49 1.29 1x9eA1 ILE 234 HG13 -0.13 -0.03 -0.22 -0.04 1.21 0.79 1x9eA1 ILE 234 HG23 0.10 0.01 -0.33 -0.04 0.93 0.66 1x9eA1 ILE 234 HD13 -0.03 -0.00 -0.20 -0.04 0.88 0.61 1x9eA1 PRO 235 HA -0.00 0.06 0.58 -0.51 4.44 4.56 1x9eA1 PRO 235 HB2 0.14 0.07 0.01 -0.04 2.28 2.46 1x9eA1 PRO 235 HB3 0.06 -0.02 0.03 -0.04 2.02 2.05 1x9eA1 PRO 235 HG2 -0.74 0.07 0.04 -0.04 2.03 1.35 1x9eA1 PRO 235 HG3 -0.37 0.04 -0.01 -0.04 2.03 1.66 1x9eA1 PRO 235 HD2 -0.78 0.13 0.19 -0.04 3.68 3.18 1x9eA1 PRO 235 HD3 -0.54 0.12 -0.06 -0.04 3.65 3.13 1x9eA1 TYR 236 H -0.40 0.18 0.03 -0.55 8.29 7.55 1x9eA1 TYR 236 HA -0.08 0.11 0.28 -0.75 4.56 4.11 1x9eA1 TYR 236 HB2 -0.07 0.10 0.06 -0.04 3.06 3.11 1x9eA1 TYR 236 HB3 -0.08 0.27 0.10 -0.04 2.98 3.22 1x9eA1 TYR 236 HD2 -0.07 0.09 -0.21 -0.04 7.15 6.91 1x9eA1 TYR 236 HE2 -0.07 0.04 -0.08 -0.04 6.85 6.70 1x9eA1 THR 237 H 0.07 0.30 0.06 -0.55 8.28 8.16 1x9eA1 THR 237 HA 0.05 -0.05 0.50 -0.75 4.39 4.13 1x9eA1 THR 237 HB 0.05 0.26 0.29 -0.04 4.32 4.87 1x9eA1 THR 237 HG23 0.05 -0.01 -0.13 -0.04 1.22 1.10 1x9eA1 LYS 238 H 0.23 0.63 -0.04 -0.55 8.42 8.69 1x9eA1 LYS 238 HA 0.04 0.06 0.36 -0.75 4.32 4.02 1x9eA1 LYS 238 HB2 0.15 0.14 -0.08 -0.04 1.87 2.03 1x9eA1 LYS 238 HB3 0.34 -0.07 0.03 -0.04 1.79 2.04 1x9eA1 LYS 238 HG2 0.02 -0.16 0.08 -0.04 1.46 1.37 1x9eA1 LYS 238 HG3 0.05 0.04 -0.01 -0.04 1.46 1.49 1x9eA1 LYS 238 HD2 0.14 0.11 0.03 -0.04 1.69 1.92 1x9eA1 LYS 238 HD3 0.08 -0.14 -0.05 -0.04 1.68 1.53 1x9eA1 LYS 238 HE2 0.02 -0.09 0.01 -0.04 2.99 2.89 1x9eA1 LYS 238 HE3 0.03 0.09 0.08 -0.04 2.99 3.15 1x9eA1 MET 239 H -0.41 0.43 -0.32 -0.55 8.47 7.62 1x9eA1 MET 239 HA -0.27 0.07 0.50 -0.75 4.52 4.07 1x9eA1 MET 239 HB2 -1.52 -0.00 0.09 -0.04 2.15 0.69 1x9eA1 MET 239 HB3 -0.80 0.06 0.18 -0.04 2.03 1.43 1x9eA1 MET 239 HG2 -0.81 -0.03 -0.00 -0.04 2.63 1.75 1x9eA1 MET 239 HG3 -1.10 0.00 -0.11 -0.04 2.56 1.32 1x9eA1 MET 239 HE3 -0.12 0.00 -0.04 -0.04 2.10 1.90 1x9eA1 GLY 240 H -0.22 0.34 0.00 -0.55 8.43 8.00 1x9eA1 GLY 240 HA2 -0.23 0.07 0.41 -0.51 4.01 3.75 1x9eA1 GLY 240 HA3 -0.36 0.11 0.24 -0.51 4.01 3.49 1x9eA1 LYS 241 H -0.28 0.34 -0.36 -0.55 8.42 7.56 1x9eA1 LYS 241 HA -0.77 0.05 0.41 -0.75 4.32 3.26 1x9eA1 LYS 241 HB2 0.00 0.09 0.05 -0.04 1.87 1.98 1x9eA1 LYS 241 HB3 -0.11 0.16 0.07 -0.04 1.79 1.86 1x9eA1 LYS 241 HG2 -0.15 -0.04 -0.13 -0.04 1.46 1.10 1x9eA1 LYS 241 HG3 -0.15 -0.03 0.02 -0.04 1.46 1.26 1x9eA1 LYS 241 HD2 0.04 0.02 -0.06 -0.04 1.69 1.65 1x9eA1 LYS 241 HD3 -0.03 0.03 -0.05 -0.04 1.68 1.58 1x9eA1 LYS 241 HE2 -0.05 -0.02 -0.05 -0.04 2.99 2.84 1x9eA1 LYS 241 HE3 -0.02 -0.02 -0.03 -0.04 2.99 2.88 1x9eA1 LYS 242 H -0.21 0.40 -0.23 -0.55 8.42 7.83 1x9eA1 LYS 242 HA -0.15 0.03 0.41 -0.75 4.32 3.86 1x9eA1 LYS 242 HB2 -0.11 0.10 0.19 -0.04 1.87 2.02 1x9eA1 LYS 242 HB3 -0.08 -0.06 0.02 -0.04 1.79 1.62 1x9eA1 LYS 242 HG2 -0.07 0.33 0.13 -0.04 1.46 1.80 1x9eA1 LYS 242 HG3 -0.03 -0.07 0.01 -0.04 1.46 1.33 1x9eA1 LYS 242 HD2 -0.05 -0.04 0.01 -0.04 1.69 1.57 1x9eA1 LYS 242 HD3 -0.07 -0.02 -0.03 -0.04 1.68 1.52 1x9eA1 LYS 242 HE2 -0.01 0.06 -0.01 -0.04 2.99 2.98 1x9eA1 LYS 242 HE3 -0.01 -0.04 -0.01 -0.04 2.99 2.89 1x9eA1 ALA 243 H -0.28 0.42 -0.22 -0.55 8.40 7.77 1x9eA1 ALA 243 HA -0.20 0.01 0.35 -0.75 4.34 3.75 1x9eA1 ALA 243 HB3 -0.45 0.01 0.06 -0.04 1.41 0.99 1x9eA1 LEU 244 H -0.67 0.53 -0.29 -0.55 8.37 7.40 1x9eA1 LEU 244 HA -0.62 0.00 0.30 -0.75 4.35 3.28 1x9eA1 LEU 244 HB2 -0.95 0.28 0.19 -0.04 1.64 1.12 1x9eA1 LEU 244 HB3 -0.52 0.04 0.10 -0.04 1.64 1.22 1x9eA1 LEU 244 HG -0.44 -0.00 -0.09 -0.04 1.64 1.07 1x9eA1 LEU 244 HD13 -0.38 -0.02 -0.11 -0.04 0.93 0.38 1x9eA1 LEU 244 HD23 -0.49 -0.01 -0.07 -0.04 0.89 0.28 1x9eA1 LEU 245 H -0.33 0.77 -0.08 -0.55 8.37 8.19 1x9eA1 LEU 245 HA -0.23 -0.04 0.36 -0.75 4.35 3.69 1x9eA1 LEU 245 HB2 -0.17 0.09 0.17 -0.04 1.64 1.69 1x9eA1 LEU 245 HB3 -0.13 -0.05 -0.05 -0.04 1.64 1.37 1x9eA1 LEU 245 HG -0.21 0.02 0.05 -0.04 1.64 1.46 1x9eA1 LEU 245 HD13 -0.11 -0.01 -0.08 -0.04 0.93 0.68 1x9eA1 LEU 245 HD23 -0.13 -0.02 -0.03 -0.04 0.89 0.67 1x9eA1 ALA 246 H -0.16 0.56 -0.26 -0.55 8.40 7.98 1x9eA1 ALA 246 HA -0.08 -0.01 0.33 -0.75 4.34 3.83 1x9eA1 ALA 246 HB3 -0.06 0.02 0.08 -0.04 1.41 1.41 1x9eA1 LYS 247 H -0.14 0.43 -0.46 -0.55 8.42 7.70 1x9eA1 LYS 247 HA -0.03 0.15 0.87 -0.75 4.32 4.55 1x9eA1 LYS 247 HB2 0.16 0.12 0.04 -0.04 1.87 2.15 1x9eA1 LYS 247 HB3 0.03 0.01 -0.02 -0.04 1.79 1.78 1x9eA1 LYS 247 HG2 -0.37 -0.02 -0.04 -0.04 1.46 0.99 1x9eA1 LYS 247 HG3 -0.10 -0.05 0.05 -0.04 1.46 1.33 1x9eA1 LYS 247 HD2 0.01 0.06 -0.09 -0.04 1.69 1.63 1x9eA1 LYS 247 HD3 -0.03 -0.07 -0.01 -0.04 1.68 1.52 1x9eA1 LYS 247 HE2 0.19 0.01 0.02 -0.04 2.99 3.17 1x9eA1 LYS 247 HE3 0.12 -0.02 0.05 -0.04 2.99 3.10 1x9eA1 ILE 248 H -0.28 0.43 -0.01 -0.55 8.25 7.84 1x9eA1 ILE 248 HA -0.37 0.16 0.88 -0.75 4.18 4.09 1x9eA1 ILE 248 HB -0.49 -0.10 0.09 -0.04 1.89 1.34 1x9eA1 ILE 248 HG12 -0.33 0.17 -0.13 -0.04 1.49 1.15 1x9eA1 ILE 248 HG13 -0.24 0.04 -0.31 -0.04 1.21 0.66 1x9eA1 ILE 248 HG23 -1.38 0.04 -0.07 -0.04 0.93 -0.52 1x9eA1 ILE 248 HD13 -0.27 -0.04 -0.08 -0.04 0.88 0.46 1x9eA1 SER 249 H -0.12 0.27 -0.31 -0.55 8.46 7.76 1x9eA1 SER 249 HA -0.09 0.04 0.33 -0.75 4.49 4.02 1x9eA1 SER 249 HB2 -0.05 -0.04 0.04 -0.04 3.95 3.86 1x9eA1 SER 249 HB3 -0.07 0.15 0.06 -0.04 3.93 4.02 1x9eA1 ASP 250 H -0.03 0.12 -0.33 -0.55 8.40 7.62 1x9eA1 ASP 250 HA -0.01 0.22 0.80 -0.75 4.63 4.89 1x9eA1 ASP 250 HB2 0.03 -0.02 0.13 -0.04 2.71 2.81 1x9eA1 ASP 250 HB3 0.01 -0.01 0.01 -0.04 2.70 2.68 1x9eA1 GLN 251 H -0.05 0.45 -0.43 -0.55 8.47 7.89 1x9eA1 GLN 251 HA 0.03 0.07 0.57 -0.75 4.36 4.28 1x9eA1 GLN 251 HB2 -0.09 0.14 -0.03 -0.04 2.15 2.13 1x9eA1 GLN 251 HB3 0.00 -0.15 0.08 -0.04 2.02 1.90 1x9eA1 GLN 251 HG2 -0.08 -0.01 -0.01 -0.04 2.40 2.25 1x9eA1 GLN 251 HG3 -0.23 -0.01 0.01 -0.04 2.39 2.12 1x9eA1 GLN 251 HE21 0.29 -0.02 -0.03 -0.04 6.97 7.17 1x9eA1 GLN 251 HE22 0.20 0.07 -0.07 -0.04 7.69 7.84 1x9eA1 THR 252 H 0.02 0.06 0.14 -0.55 8.28 7.95 1x9eA1 THR 252 HA -0.00 0.20 0.46 -0.75 4.39 4.29 1x9eA1 THR 252 HB 0.01 -0.05 0.11 -0.04 4.32 4.34 1x9eA1 THR 252 HG23 0.02 0.05 0.07 -0.04 1.22 1.32 1x9eA1 GLU 253 H -0.01 0.20 0.18 -0.55 8.60 8.43 1x9eA1 GLU 253 HA -0.03 0.15 0.35 -0.75 4.29 4.01 1x9eA1 GLU 253 HB2 -0.01 -0.06 0.16 -0.04 2.09 2.14 1x9eA1 GLU 253 HB3 -0.01 0.04 0.03 -0.04 1.99 2.00 1x9eA1 GLU 253 HG2 -0.02 0.06 0.07 -0.04 2.34 2.41 1x9eA1 GLU 253 HG3 -0.01 0.02 0.13 -0.04 2.34 2.44 1x9eA1 ALA 254 H -0.00 0.09 -0.18 -0.55 8.40 7.77 1x9eA1 ALA 254 HA -0.00 0.10 0.45 -0.75 4.34 4.14 1x9eA1 ALA 254 HB3 0.01 0.03 0.04 -0.04 1.41 1.45 1x9eA1 GLU 255 H 0.00 0.09 -0.28 -0.55 8.60 7.88 1x9eA1 GLU 255 HA 0.03 0.10 0.42 -0.75 4.29 4.08 1x9eA1 GLU 255 HB2 0.02 -0.08 0.17 -0.04 2.09 2.15 1x9eA1 GLU 255 HB3 0.01 0.04 -0.06 -0.04 1.99 1.94 1x9eA1 GLU 255 HG2 0.05 -0.01 0.04 -0.04 2.34 2.38 1x9eA1 GLU 255 HG3 0.08 -0.04 0.05 -0.04 2.34 2.38 1x9eA1 GLN 256 H -0.04 0.52 -0.29 -0.55 8.47 8.11 1x9eA1 GLN 256 HA -0.13 0.04 0.41 -0.75 4.36 3.93 1x9eA1 GLN 256 HB2 -0.06 0.11 0.04 -0.04 2.15 2.20 1x9eA1 GLN 256 HB3 -0.10 -0.05 -0.05 -0.04 2.02 1.78 1x9eA1 GLN 256 HG2 -0.15 -0.02 -0.09 -0.04 2.40 2.11 1x9eA1 GLN 256 HG3 -0.07 0.14 -0.34 -0.04 2.39 2.09 1x9eA1 GLN 256 HE21 -0.06 0.02 0.00 -0.04 6.97 6.90 1x9eA1 GLN 256 HE22 -0.05 0.35 -0.23 -0.04 7.69 7.72 1x9eA1 GLU 257 H -0.03 0.41 -0.14 -0.55 8.60 8.30 1x9eA1 GLU 257 HA -0.03 0.03 0.43 -0.75 4.29 3.97 1x9eA1 GLU 257 HB2 -0.01 0.08 0.18 -0.04 2.09 2.31 1x9eA1 GLU 257 HB3 -0.01 -0.02 0.00 -0.04 1.99 1.92 1x9eA1 GLU 257 HG2 -0.02 -0.03 0.02 -0.04 2.34 2.28 1x9eA1 GLU 257 HG3 -0.02 0.15 0.03 -0.04 2.34 2.47 1x9eA1 ARG 258 H -0.00 0.46 -0.23 -0.55 8.46 8.13 1x9eA1 ARG 258 HA 0.02 0.03 0.42 -0.75 4.34 4.05 1x9eA1 ARG 258 HB2 0.03 0.01 0.12 -0.04 1.90 2.02 1x9eA1 ARG 258 HB3 0.03 0.10 0.15 -0.04 1.80 2.04 1x9eA1 ARG 258 HG2 0.06 0.04 -0.18 -0.04 1.67 1.54 1x9eA1 ARG 258 HG3 0.04 -0.05 0.06 -0.04 1.67 1.67 1x9eA1 ARG 258 HD2 0.06 0.03 0.01 -0.04 3.22 3.28 1x9eA1 ARG 258 HD3 0.05 -0.06 0.01 -0.04 3.22 3.17 1x9eA1 ILE 259 H -0.01 0.48 -0.12 -0.55 8.25 8.05 1x9eA1 ILE 259 HA 0.06 0.10 0.42 -0.75 4.18 4.00 1x9eA1 ILE 259 HB -0.13 0.04 0.07 -0.04 1.89 1.82 1x9eA1 ILE 259 HG12 0.12 0.03 -0.01 -0.04 1.49 1.59 1x9eA1 ILE 259 HG13 0.03 0.12 0.11 -0.04 1.21 1.43 1x9eA1 ILE 259 HG23 -0.03 -0.02 -0.08 -0.04 0.93 0.75 1x9eA1 ILE 259 HD13 -0.24 -0.06 -0.10 -0.04 0.88 0.45 1x9eA1 LEU 260 H -0.04 0.53 -0.23 -0.55 8.37 8.09 1x9eA1 LEU 260 HA 0.01 0.02 0.46 -0.75 4.35 4.09 1x9eA1 LEU 260 HB2 -0.03 0.11 0.12 -0.04 1.64 1.80 1x9eA1 LEU 260 HB3 -0.01 -0.06 -0.00 -0.04 1.64 1.53 1x9eA1 LEU 260 HG -0.11 0.14 0.06 -0.04 1.64 1.69 1x9eA1 LEU 260 HD13 -0.07 -0.02 -0.06 -0.04 0.93 0.74 1x9eA1 LEU 260 HD23 -0.14 -0.02 -0.03 -0.04 0.89 0.66 1x9eA1 ALA 261 H 0.01 0.55 -0.19 -0.55 8.40 8.22 1x9eA1 ALA 261 HA 0.00 -0.01 0.42 -0.75 4.34 4.01 1x9eA1 ALA 261 HB3 0.01 0.05 0.14 -0.04 1.41 1.57 1x9eA1 ARG 262 H 0.04 0.56 -0.16 -0.55 8.46 8.35 1x9eA1 ARG 262 HA 0.02 -0.00 0.37 -0.75 4.34 3.98 1x9eA1 ARG 262 HB2 0.08 0.12 0.19 -0.04 1.90 2.25 1x9eA1 ARG 262 HB3 0.08 -0.12 0.10 -0.04 1.80 1.81 1x9eA1 ARG 262 HG2 0.06 0.15 0.12 -0.04 1.67 1.96 1x9eA1 ARG 262 HG3 0.08 0.33 0.25 -0.04 1.67 2.28 1x9eA1 ARG 262 HD2 0.05 -0.03 0.05 -0.04 3.22 3.24 1x9eA1 ARG 262 HD3 0.03 0.00 0.02 -0.04 3.22 3.23 1x9eA1 TYR 263 H 0.13 0.37 -0.31 -0.55 8.29 7.93 1x9eA1 TYR 263 HA 0.02 0.06 0.44 -0.75 4.56 4.32 1x9eA1 TYR 263 HB2 -0.06 0.04 0.10 -0.04 3.06 3.10 1x9eA1 TYR 263 HB3 -0.08 0.10 0.18 -0.04 2.98 3.13 1x9eA1 TYR 263 HD2 -0.05 0.05 -0.06 -0.04 7.15 7.05 1x9eA1 TYR 263 HE2 -0.13 -0.00 -0.08 -0.04 6.85 6.61 1x9eA1 GLU 264 H 0.02 0.73 -0.10 -0.55 8.60 8.71 1x9eA1 GLU 264 HA -0.23 -0.04 0.36 -0.75 4.29 3.63 1x9eA1 GLU 264 HB2 -0.02 0.22 0.24 -0.04 2.09 2.48 1x9eA1 GLU 264 HB3 -0.06 -0.04 -0.03 -0.04 1.99 1.81 1x9eA1 GLU 264 HG2 0.01 -0.00 0.02 -0.04 2.34 2.34 1x9eA1 GLU 264 HG3 -0.02 -0.03 -0.00 -0.04 2.34 2.25 1x9eA1 GLU 265 H -0.06 0.44 -0.31 -0.55 8.60 8.13 1x9eA1 GLU 265 HA -0.10 0.01 0.41 -0.75 4.29 3.85 1x9eA1 GLU 265 HB2 -0.03 0.16 0.14 -0.04 2.09 2.32 1x9eA1 GLU 265 HB3 -0.05 -0.06 -0.07 -0.04 1.99 1.77 1x9eA1 GLU 265 HG2 -0.04 -0.00 -0.02 -0.04 2.34 2.24 1x9eA1 GLU 265 HG3 -0.03 0.09 0.01 -0.04 2.34 2.37 1x9eA1 SER 266 H -0.13 0.42 -0.31 -0.55 8.46 7.89 1x9eA1 SER 266 HA -0.10 0.05 0.44 -0.75 4.49 4.13 1x9eA1 SER 266 HB2 -0.03 -0.13 0.16 -0.04 3.95 3.91 1x9eA1 SER 266 HB3 -0.01 0.10 0.18 -0.04 3.93 4.15 1x9eA1 ILE 267 H -0.29 0.43 -0.34 -0.55 8.25 7.50 1x9eA1 ILE 267 HA -0.17 0.12 1.00 -0.75 4.18 4.38 1x9eA1 ILE 267 HB -0.21 -0.10 0.16 -0.04 1.89 1.70 1x9eA1 ILE 267 HG12 -0.46 0.19 0.13 -0.04 1.49 1.31 1x9eA1 ILE 267 HG13 -0.22 0.09 -0.16 -0.04 1.21 0.88 1x9eA1 ILE 267 HG23 -0.58 0.03 -0.06 -0.04 0.93 0.27 1x9eA1 ILE 267 HD13 -0.23 -0.02 -0.01 -0.04 0.88 0.58 1x9eA1 ILE 268 H -0.20 0.38 -0.30 -0.55 8.25 7.58 1x9eA1 ILE 268 HA -0.11 0.09 0.45 -0.75 4.18 3.86 1x9eA1 ILE 268 HB -0.35 0.01 0.12 -0.04 1.89 1.63 1x9eA1 ILE 268 HG12 -0.12 -0.04 0.03 -0.04 1.49 1.32 1x9eA1 ILE 268 HG13 -0.16 0.15 0.11 -0.04 1.21 1.27 1x9eA1 ILE 268 HG23 -0.14 -0.00 -0.11 -0.04 0.93 0.63 1x9eA1 ILE 268 HD13 -0.13 0.00 0.04 -0.04 0.88 0.75 1x9eA1 TYR 269 H -0.24 0.18 -0.07 -0.55 8.29 7.62 1x9eA1 TYR 269 HA -0.08 0.12 0.27 -0.75 4.56 4.13 1x9eA1 TYR 269 HB2 -0.24 0.01 0.02 -0.04 3.06 2.81 1x9eA1 TYR 269 HB3 -0.36 0.03 -0.07 -0.04 2.98 2.54 1x9eA1 TYR 269 HD2 -0.09 0.02 -0.06 -0.04 7.15 6.98 1x9eA1 TYR 269 HE2 0.11 0.00 -0.16 -0.04 6.85 6.77 1x9eA1 SER 270 H -0.06 0.10 -0.40 -0.55 8.46 7.55 1x9eA1 SER 270 HA -0.08 0.06 0.45 -0.75 4.49 4.16 1x9eA1 SER 270 HB2 -0.09 0.09 0.00 -0.04 3.95 3.91 1x9eA1 SER 270 HB3 -0.08 -0.01 0.06 -0.04 3.93 3.86 1x9eA1 ARG 271 H -0.06 0.52 -0.29 -0.55 8.46 8.08 1x9eA1 ARG 271 HA -0.03 0.04 0.56 -0.75 4.34 4.16 1x9eA1 ARG 271 HB2 -0.04 0.24 0.17 -0.04 1.90 2.22 1x9eA1 ARG 271 HB3 -0.01 -0.15 0.07 -0.04 1.80 1.67 1x9eA1 ARG 271 HG2 -0.03 0.19 0.15 -0.04 1.67 1.94 1x9eA1 ARG 271 HG3 -0.07 0.20 0.12 -0.04 1.67 1.88 1x9eA1 ARG 271 HD2 -0.04 0.01 -0.01 -0.04 3.22 3.13 1x9eA1 ARG 271 HD3 0.00 -0.09 -0.04 -0.04 3.22 3.05 1x9eA1 ARG 272 H -0.02 0.35 -0.59 -0.55 8.46 7.65 1x9eA1 ARG 272 HA -0.05 -0.03 0.90 -0.75 4.34 4.41 1x9eA1 ARG 272 HB2 0.01 0.10 0.08 -0.04 1.90 2.05 1x9eA1 ARG 272 HB3 -0.08 -0.01 0.10 -0.04 1.80 1.77 1x9eA1 ARG 272 HG2 -0.04 -0.06 -0.07 -0.04 1.67 1.46 1x9eA1 ARG 272 HG3 -0.01 0.03 -0.12 -0.04 1.67 1.53 1x9eA1 ARG 272 HD2 0.01 -0.03 -0.07 -0.04 3.22 3.09 1x9eA1 ARG 272 HD3 0.07 -0.01 -0.05 -0.04 3.22 3.18 1x9eA1 VAL 273 H -0.05 0.17 -0.11 -0.55 8.24 7.70 1x9eA1 VAL 273 HA -0.04 0.23 1.17 -0.75 4.13 4.73 1x9eA1 VAL 273 HB -0.10 -0.05 0.11 -0.04 2.12 2.05 1x9eA1 VAL 273 HG13 -0.08 -0.04 -0.13 -0.04 0.97 0.68 1x9eA1 VAL 273 HG23 -0.09 0.06 -0.19 -0.04 0.95 0.69 1x9eA1 GLY 274 H -0.05 0.41 0.34 -0.55 8.43 8.59 1x9eA1 GLY 274 HA2 -0.04 0.03 0.42 -0.51 4.01 3.92 1x9eA1 GLY 274 HA3 -0.03 0.40 1.22 -0.51 4.01 5.09 1x9eA1 ASN 275 H -0.02 0.51 -0.08 -0.55 8.53 8.39 1x9eA1 ASN 275 HA -0.04 -0.05 0.64 -0.75 4.76 4.55 1x9eA1 ASN 275 HB2 0.02 0.31 0.24 -0.04 2.88 3.41 1x9eA1 ASN 275 HB3 -0.06 0.09 0.23 -0.04 2.79 3.01 1x9eA1 ASN 275 HD21 0.33 -0.13 0.03 -0.04 7.03 7.23 1x9eA1 ASN 275 HD22 0.20 0.17 0.10 -0.04 7.74 8.17 1x9eA1 LEU 276 H -0.00 0.18 0.12 -0.55 8.37 8.12 1x9eA1 LEU 276 HA -0.03 0.28 0.54 -0.75 4.35 4.39 1x9eA1 LEU 276 HB2 0.02 0.02 -0.19 -0.04 1.64 1.45 1x9eA1 LEU 276 HB3 0.08 -0.22 -0.11 -0.04 1.64 1.34 1x9eA1 LEU 276 HG 0.00 -0.05 -0.28 -0.04 1.64 1.27 1x9eA1 LEU 276 HD13 -0.06 0.02 -0.34 -0.04 0.93 0.51 1x9eA1 LEU 276 HD23 -0.04 -0.02 -0.20 -0.04 0.89 0.59 1x9eA1 TYR 277 H 0.06 0.17 -0.36 -0.55 8.29 7.60 1x9eA1 TYR 277 HA 0.23 0.09 0.26 -0.75 4.56 4.39 1x9eA1 TYR 277 HB2 0.11 0.11 -0.14 -0.04 3.06 3.09 1x9eA1 TYR 277 HB3 0.08 -0.05 0.08 -0.04 2.98 3.05 1x9eA1 TYR 277 HD2 0.11 -0.07 -0.11 -0.04 7.15 7.04 1x9eA1 TYR 277 HE2 0.14 0.11 -0.02 -0.04 6.85 7.04 1x9eA1 THR 278 H 0.28 0.16 0.19 -0.55 8.28 8.36 1x9eA1 THR 278 HA 0.16 0.34 0.50 -0.75 4.39 4.64 1x9eA1 THR 278 HB 0.07 -0.11 -0.01 -0.04 4.32 4.24 1x9eA1 THR 278 HG23 0.06 -0.06 -0.15 -0.04 1.22 1.03 1x9eA1 GLY 279 H 0.18 0.52 -0.46 -0.55 8.43 8.13 1x9eA1 GLY 279 HA2 0.29 0.15 0.64 -0.51 4.01 4.58 1x9eA1 GLY 279 HA3 0.15 0.10 0.16 -0.51 4.01 3.91 1x9eA1 SER 280 H 0.22 0.38 -0.53 -0.55 8.46 7.99 1x9eA1 SER 280 HA 0.03 0.10 0.31 -0.75 4.49 4.17 1x9eA1 SER 280 HB2 0.05 -0.16 0.16 -0.04 3.95 3.97 1x9eA1 SER 280 HB3 0.29 0.16 0.18 -0.04 3.93 4.52 1x9eA1 LEU 281 H 0.17 0.19 -0.16 -0.55 8.37 8.02 1x9eA1 LEU 281 HA -0.03 0.32 0.17 -0.75 4.35 4.05 1x9eA1 LEU 281 HB2 -0.01 -0.01 -0.08 -0.04 1.64 1.50 1x9eA1 LEU 281 HB3 -0.23 0.01 -0.01 -0.04 1.64 1.37 1x9eA1 LEU 281 HG -0.92 0.00 -0.53 -0.04 1.64 0.16 1x9eA1 LEU 281 HD13 -0.23 0.03 -0.34 -0.04 0.93 0.36 1x9eA1 LEU 281 HD23 -0.33 -0.00 -0.24 -0.04 0.89 0.28 1x9eA1 TYR 282 H 0.12 0.13 -0.41 -0.55 8.29 7.58 1x9eA1 TYR 282 HA 0.04 0.05 0.49 -0.75 4.56 4.38 1x9eA1 TYR 282 HB2 0.05 0.06 0.04 -0.04 3.06 3.16 1x9eA1 TYR 282 HB3 0.05 0.03 -0.02 -0.04 2.98 3.00 1x9eA1 TYR 282 HD2 0.07 0.07 -0.04 -0.04 7.15 7.21 1x9eA1 TYR 282 HE2 0.11 0.01 -0.13 -0.04 6.85 6.80 1x9eA1 LEU 283 H 0.04 0.44 -0.28 -0.55 8.37 8.03 1x9eA1 LEU 283 HA -0.15 0.04 0.35 -0.75 4.35 3.84 1x9eA1 LEU 283 HB2 -0.14 -0.01 -0.03 -0.04 1.64 1.42 1x9eA1 LEU 283 HB3 -0.09 0.14 0.11 -0.04 1.64 1.76 1x9eA1 LEU 283 HG -0.21 -0.07 -0.21 -0.04 1.64 1.11 1x9eA1 LEU 283 HD13 -1.09 -0.00 -0.04 -0.04 0.93 -0.24 1x9eA1 LEU 283 HD23 -0.22 0.02 -0.18 -0.04 0.89 0.47 1x9eA1 GLY 284 H -0.04 0.46 -0.11 -0.55 8.43 8.20 1x9eA1 GLY 284 HA2 -0.06 0.35 0.53 -0.51 4.01 4.32 1x9eA1 GLY 284 HA3 -0.03 0.02 0.33 -0.51 4.01 3.82 1x9eA1 LEU 285 H -0.03 0.38 -0.28 -0.55 8.37 7.89 1x9eA1 LEU 285 HA -0.01 0.04 0.39 -0.75 4.35 4.02 1x9eA1 LEU 285 HB2 -0.06 -0.00 -0.02 -0.04 1.64 1.52 1x9eA1 LEU 285 HB3 0.05 0.04 0.08 -0.04 1.64 1.76 1x9eA1 LEU 285 HG 0.08 0.02 -0.40 -0.04 1.64 1.30 1x9eA1 LEU 285 HD13 -0.00 -0.01 -0.12 -0.04 0.93 0.76 1x9eA1 LEU 285 HD23 0.14 -0.01 -0.13 -0.04 0.89 0.85 1x9eA1 ILE 286 H 0.07 0.54 -0.21 -0.55 8.25 8.10 1x9eA1 ILE 286 HA 0.16 0.01 0.29 -0.75 4.18 3.89 1x9eA1 ILE 286 HB 0.05 0.11 0.19 -0.04 1.89 2.20 1x9eA1 ILE 286 HG12 0.21 -0.02 -0.09 -0.04 1.49 1.55 1x9eA1 ILE 286 HG13 0.15 0.14 0.04 -0.04 1.21 1.50 1x9eA1 ILE 286 HG23 0.28 -0.02 -0.16 -0.04 0.93 0.98 1x9eA1 ILE 286 HD13 0.17 -0.04 -0.18 -0.04 0.88 0.80 1x9eA1 SER 287 H 0.06 0.72 -0.13 -0.55 8.46 8.57 1x9eA1 SER 287 HA -0.19 -0.09 0.35 -0.75 4.49 3.81 1x9eA1 SER 287 HB2 -0.07 -0.06 0.14 -0.04 3.95 3.92 1x9eA1 SER 287 HB3 -0.11 0.34 0.24 -0.04 3.93 4.37 1x9eA1 LEU 288 H -0.01 0.46 -0.31 -0.55 8.37 7.97 1x9eA1 LEU 288 HA -0.02 -0.01 0.28 -0.75 4.35 3.84 1x9eA1 LEU 288 HB2 -0.00 0.14 0.21 -0.04 1.64 1.94 1x9eA1 LEU 288 HB3 0.01 0.01 -0.08 -0.04 1.64 1.53 1x9eA1 LEU 288 HG 0.01 -0.05 -0.07 -0.04 1.64 1.50 1x9eA1 LEU 288 HD13 -0.00 -0.01 -0.02 -0.04 0.93 0.85 1x9eA1 LEU 288 HD23 0.01 -0.02 -0.20 -0.04 0.89 0.63 1x9eA1 LEU 289 H 0.07 0.55 -0.12 -0.55 8.37 8.32 1x9eA1 LEU 289 HA 0.12 0.03 0.40 -0.75 4.35 4.15 1x9eA1 LEU 289 HB2 0.17 0.06 0.12 -0.04 1.64 1.95 1x9eA1 LEU 289 HB3 0.22 -0.05 -0.03 -0.04 1.64 1.73 1x9eA1 LEU 289 HG 0.05 0.24 -0.03 -0.04 1.64 1.87 1x9eA1 LEU 289 HD13 0.13 -0.04 -0.15 -0.04 0.93 0.82 1x9eA1 LEU 289 HD23 -0.06 -0.02 -0.13 -0.04 0.89 0.63 1x9eA1 GLU 290 H 0.13 0.49 -0.10 -0.55 8.60 8.58 1x9eA1 GLU 290 HA 0.13 0.17 0.78 -0.75 4.29 4.61 1x9eA1 GLU 290 HB2 0.27 0.03 0.01 -0.04 2.09 2.36 1x9eA1 GLU 290 HB3 0.24 -0.11 0.07 -0.04 1.99 2.15 1x9eA1 GLU 290 HG2 0.23 -0.01 -0.08 -0.04 2.34 2.44 1x9eA1 GLU 290 HG3 0.29 0.21 -0.01 -0.04 2.34 2.79 1x9eA1 ASN 291 H -0.02 0.59 -0.01 -0.55 8.53 8.55 1x9eA1 ASN 291 HA -0.03 0.15 0.93 -0.75 4.76 5.06 1x9eA1 ASN 291 HB2 -0.16 0.31 0.16 -0.04 2.88 3.14 1x9eA1 ASN 291 HB3 -0.12 -0.10 0.10 -0.04 2.79 2.64 1x9eA1 ASN 291 HD21 -1.49 -0.11 -0.02 -0.04 7.03 5.37 1x9eA1 ASN 291 HD22 -0.58 0.10 0.12 -0.04 7.74 7.34 1x9eA1 ALA 292 H 0.01 0.43 -0.01 -0.55 8.40 8.28 1x9eA1 ALA 292 HA 0.00 -0.02 0.62 -0.75 4.34 4.19 1x9eA1 ALA 292 HB3 0.03 0.04 0.18 -0.04 1.41 1.63 1x9eA1 THR 293 H 0.01 0.25 0.25 -0.55 8.28 8.25 1x9eA1 THR 293 HA 0.04 0.16 0.37 -0.75 4.39 4.20 1x9eA1 THR 293 HB 0.02 -0.01 0.09 -0.04 4.32 4.38 1x9eA1 THR 293 HG23 0.01 0.04 0.08 -0.04 1.22 1.31 1x9eA1 THR 294 H 0.04 0.01 -0.22 -0.55 8.28 7.56 1x9eA1 THR 294 HA 0.04 0.25 0.76 -0.75 4.39 4.69 1x9eA1 THR 294 HB 0.04 0.01 0.09 -0.04 4.32 4.42 1x9eA1 THR 294 HG23 0.03 -0.01 -0.01 -0.04 1.22 1.18 1x9eA1 LEU 295 H 0.08 0.26 -0.25 -0.55 8.37 7.91 1x9eA1 LEU 295 HA 0.07 0.03 0.54 -0.75 4.35 4.24 1x9eA1 LEU 295 HB2 0.13 0.17 -0.00 -0.04 1.64 1.89 1x9eA1 LEU 295 HB3 0.04 -0.06 -0.02 -0.04 1.64 1.56 1x9eA1 LEU 295 HG 0.05 -0.07 -0.03 -0.04 1.64 1.56 1x9eA1 LEU 295 HD13 0.01 0.02 -0.12 -0.04 0.93 0.80 1x9eA1 LEU 295 HD23 0.05 0.01 -0.14 -0.04 0.89 0.77 1x9eA1 THR 296 H 0.10 0.19 0.20 -0.55 8.28 8.22 1x9eA1 THR 296 HA 0.28 0.09 0.61 -0.75 4.39 4.62 1x9eA1 THR 296 HB 0.09 0.20 -0.39 -0.04 4.32 4.18 1x9eA1 THR 296 HG23 0.07 0.01 -0.12 -0.04 1.22 1.14 1x9eA1 ALA 297 H 0.19 0.10 0.12 -0.55 8.40 8.27 1x9eA1 ALA 297 HA 0.17 0.04 0.27 -0.75 4.34 4.06 1x9eA1 ALA 297 HB3 0.13 -0.01 0.01 -0.04 1.41 1.50 1x9eA1 GLY 298 H 0.04 0.60 0.35 -0.55 8.43 8.88 1x9eA1 GLY 298 HA2 0.03 0.01 0.43 -0.51 4.01 3.96 1x9eA1 GLY 298 HA3 0.04 0.18 0.89 -0.51 4.01 4.60 1x9eA1 ASN 299 H 0.03 0.37 -0.05 -0.55 8.53 8.33 1x9eA1 ASN 299 HA 0.02 0.08 0.46 -0.75 4.76 4.57 1x9eA1 ASN 299 HB2 0.00 -0.00 0.13 -0.04 2.88 2.97 1x9eA1 ASN 299 HB3 0.03 -0.02 0.03 -0.04 2.79 2.79 1x9eA1 ASN 299 HD21 0.05 0.02 -0.06 -0.04 7.03 7.00 1x9eA1 ASN 299 HD22 0.04 -0.01 -0.15 -0.04 7.74 7.57 1x9eA1 GLN 300 H 0.02 0.10 0.28 -0.55 8.47 8.33 1x9eA1 GLN 300 HA 0.02 0.28 0.99 -0.75 4.36 4.89 1x9eA1 GLN 300 HB2 -0.11 0.01 0.30 -0.04 2.15 2.31 1x9eA1 GLN 300 HB3 -0.11 -0.01 0.04 -0.04 2.02 1.90 1x9eA1 GLN 300 HG2 -0.04 -0.00 0.07 -0.04 2.40 2.39 1x9eA1 GLN 300 HG3 -0.12 0.06 0.07 -0.04 2.39 2.37 1x9eA1 GLN 300 HE21 -0.00 -0.07 -0.07 -0.04 6.97 6.78 1x9eA1 GLN 300 HE22 -0.01 0.31 -0.04 -0.04 7.69 7.91 1x9eA1 ILE 301 H 0.06 0.87 0.42 -0.55 8.25 9.05 1x9eA1 ILE 301 HA 0.14 0.33 1.13 -0.75 4.18 5.02 1x9eA1 ILE 301 HB -0.02 -0.07 0.06 -0.04 1.89 1.82 1x9eA1 ILE 301 HG12 0.02 0.01 -0.37 -0.04 1.49 1.12 1x9eA1 ILE 301 HG13 -0.02 0.05 -0.24 -0.04 1.21 0.95 1x9eA1 ILE 301 HG23 -0.06 -0.01 -0.31 -0.04 0.93 0.51 1x9eA1 ILE 301 HD13 -0.04 -0.00 -0.19 -0.04 0.88 0.60 1x9eA1 GLY 302 H 0.02 0.68 0.44 -0.55 8.43 9.02 1x9eA1 GLY 302 HA2 -0.42 0.21 0.87 -0.51 4.01 4.16 1x9eA1 GLY 302 HA3 -0.52 0.00 0.32 -0.51 4.01 3.30 1x9eA1 LEU 303 H -1.07 0.70 0.36 -0.55 8.37 7.82 1x9eA1 LEU 303 HA -0.46 0.25 1.05 -0.75 4.35 4.44 1x9eA1 LEU 303 HB2 -1.71 0.03 0.02 -0.04 1.64 -0.06 1x9eA1 LEU 303 HB3 -0.94 -0.06 -0.13 -0.04 1.64 0.48 1x9eA1 LEU 303 HG -0.34 0.05 -0.21 -0.04 1.64 1.10 1x9eA1 LEU 303 HD13 -0.28 -0.00 -0.41 -0.04 0.93 0.20 1x9eA1 LEU 303 HD23 -0.17 -0.02 -0.20 -0.04 0.89 0.46 1x9eA1 PHE 304 H -0.31 0.67 0.30 -0.55 8.34 8.45 1x9eA1 PHE 304 HA 0.09 0.28 1.12 -0.75 4.62 5.36 1x9eA1 PHE 304 HB2 0.15 0.02 0.04 -0.04 3.15 3.31 1x9eA1 PHE 304 HB3 -0.59 -0.02 0.22 -0.04 3.06 2.62 1x9eA1 PHE 304 HD2 0.33 0.00 -0.01 -0.04 7.28 7.55 1x9eA1 PHE 304 HE2 -0.08 -0.00 -0.17 -0.04 7.38 7.08 1x9eA1 PHE 304 HZ 0.11 -0.01 -0.10 -0.04 7.32 7.28 1x9eA1 SER 305 H -0.16 0.85 0.34 -0.55 8.46 8.94 1x9eA1 SER 305 HA -0.09 0.03 0.84 -0.75 4.49 4.52 1x9eA1 SER 305 HB2 0.21 0.02 -0.09 -0.04 3.95 4.04 1x9eA1 SER 305 HB3 0.26 0.02 0.06 -0.04 3.93 4.23 1x9eA1 TYR 306 H -0.02 0.17 0.16 -0.55 8.29 8.05 1x9eA1 TYR 306 HA -0.19 0.31 1.05 -0.75 4.56 4.98 1x9eA1 TYR 306 HB2 -0.17 0.06 -0.14 -0.04 3.06 2.76 1x9eA1 TYR 306 HB3 0.14 -0.07 -0.03 -0.04 2.98 2.98 1x9eA1 TYR 306 HD2 0.18 -0.03 -0.16 -0.04 7.15 7.09 1x9eA1 TYR 306 HE2 0.16 -0.00 -0.16 -0.04 6.85 6.80 1x9eA1 GLY 307 H -0.93 0.85 0.27 -0.55 8.43 8.07 1x9eA1 GLY 307 HA2 -0.27 -0.18 0.74 -0.51 4.01 3.79 1x9eA1 GLY 307 HA3 -0.22 0.06 0.32 -0.51 4.01 3.66 1x9eA1 SER 308 H -0.21 -0.01 0.15 -0.55 8.46 7.84 1x9eA1 SER 308 HA -0.03 0.06 0.45 -0.75 4.49 4.21 1x9eA1 SER 308 HB2 0.03 0.00 0.13 -0.04 3.95 4.07 1x9eA1 SER 308 HB3 0.28 0.01 0.18 -0.04 3.93 4.36 1x9eA1 GLY 309 H 0.06 0.03 0.29 -0.55 8.43 8.27 1x9eA1 GLY 309 HA2 -0.10 0.22 0.63 -0.51 4.01 4.24 1x9eA1 GLY 309 HA3 -0.09 0.19 0.86 -0.51 4.01 4.45 1x9eA1 ALA 310 H -0.10 0.75 0.49 -0.55 8.40 8.99 1x9eA1 ALA 310 HA -0.17 0.03 -0.40 -0.75 4.34 3.05 1x9eA1 ALA 310 HB3 -0.09 -0.01 0.07 -0.04 1.41 1.34 1x9eA1 VAL 311 H -0.41 0.68 0.31 -0.55 8.24 8.27 1x9eA1 VAL 311 HA -0.24 0.35 1.06 -0.75 4.13 4.55 1x9eA1 VAL 311 HB -0.48 -0.15 0.06 -0.04 2.12 1.51 1x9eA1 VAL 311 HG13 -1.14 0.03 -0.03 -0.04 0.97 -0.21 1x9eA1 VAL 311 HG23 -0.20 -0.01 -0.07 -0.04 0.95 0.63 1x9eA1 ALA 312 H -0.26 0.57 0.36 -0.55 8.40 8.53 1x9eA1 ALA 312 HA -0.17 0.16 0.64 -0.75 4.34 4.22 1x9eA1 ALA 312 HB3 0.26 0.00 0.04 -0.04 1.41 1.67 1x9eA1 GLU 313 H -0.02 0.69 0.43 -0.55 8.60 9.15 1x9eA1 GLU 313 HA 0.17 0.32 0.78 -0.75 4.29 4.81 1x9eA1 GLU 313 HB2 0.18 -0.00 -0.05 -0.04 2.09 2.18 1x9eA1 GLU 313 HB3 0.38 -0.11 -0.01 -0.04 1.99 2.20 1x9eA1 GLU 313 HG2 0.42 -0.00 -0.28 -0.04 2.34 2.43 1x9eA1 GLU 313 HG3 0.22 0.13 -0.10 -0.04 2.34 2.55 1x9eA1 PHE 314 H 0.33 0.65 0.39 -0.55 8.34 9.16 1x9eA1 PHE 314 HA 0.06 0.36 1.15 -0.75 4.62 5.44 1x9eA1 PHE 314 HB2 0.15 -0.06 -0.06 -0.04 3.15 3.14 1x9eA1 PHE 314 HB3 0.02 0.02 0.12 -0.04 3.06 3.18 1x9eA1 PHE 314 HD2 -0.34 -0.01 -0.17 -0.04 7.28 6.73 1x9eA1 PHE 314 HE2 -0.51 -0.01 -0.19 -0.04 7.38 6.63 1x9eA1 PHE 314 HZ -0.64 0.00 -0.12 -0.04 7.32 6.52 1x9eA1 PHE 315 H -0.99 0.55 0.37 -0.55 8.34 7.72 1x9eA1 PHE 315 HA -0.14 0.12 0.47 -0.75 4.62 4.31 1x9eA1 PHE 315 HB2 -0.04 0.02 0.12 -0.04 3.15 3.21 1x9eA1 PHE 315 HB3 -0.01 0.04 -0.08 -0.04 3.06 2.97 1x9eA1 PHE 315 HD2 -0.02 0.03 -0.33 -0.04 7.28 6.91 1x9eA1 PHE 315 HE2 0.02 -0.03 -0.19 -0.04 7.38 7.14 1x9eA1 PHE 315 HZ 0.08 -0.05 -0.17 -0.04 7.32 7.14 1x9eA1 THR 316 H 0.14 0.11 0.15 -0.55 8.28 8.13 1x9eA1 THR 316 HA -0.14 0.43 1.25 -0.75 4.39 5.17 1x9eA1 THR 316 HB 0.11 -0.10 0.01 -0.04 4.32 4.30 1x9eA1 THR 316 HG23 0.12 0.03 -0.13 -0.04 1.22 1.20 1x9eA1 GLY 317 H 0.03 0.65 0.41 -0.55 8.43 8.97 1x9eA1 GLY 317 HA2 0.07 0.26 0.90 -0.51 4.01 4.74 1x9eA1 GLY 317 HA3 0.05 -0.03 0.19 -0.51 4.01 3.71 1x9eA1 GLU 318 H 0.03 0.58 0.29 -0.55 8.60 8.95 1x9eA1 GLU 318 HA 0.00 0.33 1.08 -0.75 4.29 4.95 1x9eA1 GLU 318 HB2 0.02 -0.03 -0.04 -0.04 2.09 1.99 1x9eA1 GLU 318 HB3 0.02 -0.05 0.05 -0.04 1.99 1.97 1x9eA1 GLU 318 HG2 0.01 0.04 -0.15 -0.04 2.34 2.20 1x9eA1 GLU 318 HG3 0.01 0.17 -0.14 -0.04 2.34 2.34 1x9eA1 LEU 319 H -0.04 0.52 0.20 -0.55 8.37 8.51 1x9eA1 LEU 319 HA -0.16 0.21 0.61 -0.75 4.35 4.25 1x9eA1 LEU 319 HB2 -0.06 -0.07 0.28 -0.04 1.64 1.74 1x9eA1 LEU 319 HB3 -0.17 -0.02 -0.14 -0.04 1.64 1.26 1x9eA1 LEU 319 HG -0.30 -0.01 -0.09 -0.04 1.64 1.20 1x9eA1 LEU 319 HD13 -1.45 0.02 -0.09 -0.04 0.93 -0.62 1x9eA1 LEU 319 HD23 -0.14 0.03 -0.19 -0.04 0.89 0.54 1x9eA1 VAL 320 H 0.02 0.64 0.29 -0.55 8.24 8.63 1x9eA1 VAL 320 HA 0.07 0.04 0.57 -0.75 4.13 4.06 1x9eA1 VAL 320 HB 0.10 0.11 -0.41 -0.04 2.12 1.89 1x9eA1 VAL 320 HG13 0.06 0.08 -0.15 -0.04 0.97 0.92 1x9eA1 VAL 320 HG23 0.03 0.02 -0.36 -0.04 0.95 0.60 1x9eA1 ALA 321 H 0.08 0.15 0.13 -0.55 8.40 8.22 1x9eA1 ALA 321 HA 0.13 -0.08 0.49 -0.75 4.34 4.13 1x9eA1 ALA 321 HB3 0.06 0.03 0.12 -0.04 1.41 1.57 1x9eA1 GLY 322 H 0.06 0.05 0.26 -0.55 8.43 8.26 1x9eA1 GLY 322 HA2 -0.01 -0.03 0.35 -0.51 4.01 3.81 1x9eA1 GLY 322 HA3 0.09 0.21 0.67 -0.51 4.01 4.47 1x9eA1 TYR 323 H 0.26 0.46 -0.00 -0.55 8.29 8.46 1x9eA1 TYR 323 HA 0.18 0.30 0.39 -0.75 4.56 4.67 1x9eA1 TYR 323 HB2 0.09 -0.09 0.16 -0.04 3.06 3.18 1x9eA1 TYR 323 HB3 0.07 0.19 0.29 -0.04 2.98 3.49 1x9eA1 TYR 323 HD2 0.07 0.14 -0.14 -0.04 7.15 7.18 1x9eA1 TYR 323 HE2 0.05 0.01 -0.15 -0.04 6.85 6.71 1x9eA1 GLN 324 H -0.91 0.03 -0.22 -0.55 8.47 6.82 1x9eA1 GLN 324 HA -0.19 0.10 0.36 -0.75 4.36 3.87 1x9eA1 GLN 324 HB2 -0.25 0.01 -0.04 -0.04 2.15 1.83 1x9eA1 GLN 324 HB3 -0.26 0.08 0.12 -0.04 2.02 1.91 1x9eA1 GLN 324 HG2 -0.48 0.11 0.03 -0.04 2.40 2.02 1x9eA1 GLN 324 HG3 -2.18 -0.03 0.03 -0.04 2.39 0.17 1x9eA1 GLN 324 HE21 -0.11 -0.08 0.11 -0.04 6.97 6.84 1x9eA1 GLN 324 HE22 -0.28 0.03 0.06 -0.04 7.69 7.45 1x9eA1 ASN 325 H -0.07 0.51 -0.62 -0.55 8.53 7.80 1x9eA1 ASN 325 HA -0.15 0.12 0.81 -0.75 4.76 4.79 1x9eA1 ASN 325 HB2 -0.27 0.23 0.11 -0.04 2.88 2.91 1x9eA1 ASN 325 HB3 -0.37 -0.03 0.16 -0.04 2.79 2.51 1x9eA1 ASN 325 HD21 -0.08 -0.04 -0.02 -0.04 7.03 6.85 1x9eA1 ASN 325 HD22 -0.12 0.03 0.07 -0.04 7.74 7.68 1x9eA1 HIS 326 H 0.09 0.59 -0.07 -0.55 8.41 8.47 1x9eA1 HIS 326 HA 0.02 0.20 0.95 -0.75 4.63 5.05 1x9eA1 HIS 326 HB2 0.07 0.05 0.15 -0.04 3.26 3.50 1x9eA1 HIS 326 HB3 0.05 -0.01 0.23 -0.04 3.20 3.43 1x9eA1 HIS 326 HD2 0.02 -0.02 0.02 -0.04 6.97 6.95 1x9eA1 HIS 326 HE1 0.02 -0.03 -0.03 -0.04 7.75 7.66 1x9eA1 LEU 327 H 0.04 0.15 -0.15 -0.55 8.37 7.86 1x9eA1 LEU 327 HA 0.13 0.23 0.89 -0.75 4.35 4.86 1x9eA1 LEU 327 HB2 0.08 -0.05 -0.00 -0.04 1.64 1.63 1x9eA1 LEU 327 HB3 0.16 -0.11 0.10 -0.04 1.64 1.76 1x9eA1 LEU 327 HG 0.11 0.01 -0.17 -0.04 1.64 1.55 1x9eA1 LEU 327 HD13 0.17 -0.02 -0.16 -0.04 0.93 0.89 1x9eA1 LEU 327 HD23 0.25 0.04 -0.27 -0.04 0.89 0.87 1x9eA1 GLN 328 H 0.05 0.15 0.11 -0.55 8.47 8.23 1x9eA1 GLN 328 HA -0.14 0.23 0.82 -0.75 4.36 4.52 1x9eA1 GLN 328 HB2 -1.00 -0.03 0.13 -0.04 2.15 1.21 1x9eA1 GLN 328 HB3 -0.43 -0.04 0.18 -0.04 2.02 1.69 1x9eA1 GLN 328 HG2 -0.01 -0.06 -0.27 -0.04 2.40 2.02 1x9eA1 GLN 328 HG3 -0.05 0.04 0.00 -0.04 2.39 2.35 1x9eA1 GLN 328 HE21 0.00 0.08 -0.01 -0.04 6.97 7.00 1x9eA1 GLN 328 HE22 0.02 -0.05 -0.13 -0.04 7.69 7.49 1x9eA1 LYS 329 H 0.03 0.21 -0.09 -0.55 8.42 8.02 1x9eA1 LYS 329 HA 0.28 0.08 0.30 -0.75 4.32 4.22 1x9eA1 LYS 329 HB2 0.08 0.10 0.15 -0.04 1.87 2.16 1x9eA1 LYS 329 HB3 0.06 -0.18 0.19 -0.04 1.79 1.82 1x9eA1 LYS 329 HG2 0.21 -0.05 -0.03 -0.04 1.46 1.56 1x9eA1 LYS 329 HG3 0.21 0.01 0.06 -0.04 1.46 1.71 1x9eA1 LYS 329 HD2 0.08 0.11 0.08 -0.04 1.69 1.92 1x9eA1 LYS 329 HD3 0.07 -0.08 0.03 -0.04 1.68 1.66 1x9eA1 LYS 329 HE2 0.10 -0.12 -0.03 -0.04 2.99 2.90 1x9eA1 LYS 329 HE3 0.07 0.36 0.01 -0.04 2.99 3.40 1x9eA1 GLU 330 H 0.01 0.00 -0.01 -0.55 8.60 8.05 1x9eA1 GLU 330 HA 0.01 0.05 0.39 -0.75 4.29 3.98 1x9eA1 GLU 330 HB2 -0.04 0.03 0.01 -0.04 2.09 2.05 1x9eA1 GLU 330 HB3 -0.02 0.06 0.04 -0.04 1.99 2.04 1x9eA1 GLU 330 HG2 -0.01 0.10 0.03 -0.04 2.34 2.42 1x9eA1 GLU 330 HG3 0.00 0.00 0.13 -0.04 2.34 2.43 1x9eA1 THR 331 H -0.13 0.18 -0.18 -0.55 8.28 7.61 1x9eA1 THR 331 HA -0.07 0.02 0.42 -0.75 4.39 4.01 1x9eA1 THR 331 HB -0.30 0.14 0.12 -0.04 4.32 4.24 1x9eA1 THR 331 HG23 -0.08 0.01 -0.02 -0.04 1.22 1.09 1x9eA1 HIS 332 H -0.23 0.71 -0.01 -0.55 8.41 8.33 1x9eA1 HIS 332 HA -0.44 0.01 0.55 -0.75 4.63 3.99 1x9eA1 HIS 332 HB2 -0.05 0.26 0.29 -0.04 3.26 3.72 1x9eA1 HIS 332 HB3 -0.30 -0.12 0.01 -0.04 3.20 2.75 1x9eA1 HIS 332 HD2 -0.65 0.10 -0.00 -0.04 6.97 6.38 1x9eA1 HIS 332 HE1 0.16 0.05 0.01 -0.04 7.75 7.92 1x9eA1 LEU 333 H 0.05 0.41 -0.05 -0.55 8.37 8.23 1x9eA1 LEU 333 HA 0.06 0.02 0.37 -0.75 4.35 4.04 1x9eA1 LEU 333 HB2 0.05 0.02 0.06 -0.04 1.64 1.73 1x9eA1 LEU 333 HB3 0.05 -0.01 -0.03 -0.04 1.64 1.61 1x9eA1 LEU 333 HG 0.22 -0.02 -0.12 -0.04 1.64 1.69 1x9eA1 LEU 333 HD13 0.09 -0.02 -0.08 -0.04 0.93 0.88 1x9eA1 LEU 333 HD23 0.15 0.00 -0.04 -0.04 0.89 0.96 1x9eA1 ALA 334 H -0.02 0.90 -0.03 -0.55 8.40 8.71 1x9eA1 ALA 334 HA -0.01 -0.01 0.41 -0.75 4.34 3.97 1x9eA1 ALA 334 HB3 -0.02 -0.00 0.09 -0.04 1.41 1.43 1x9eA1 LEU 335 H -0.07 0.57 -0.17 -0.55 8.37 8.16 1x9eA1 LEU 335 HA -0.08 -0.03 0.32 -0.75 4.35 3.81 1x9eA1 LEU 335 HB2 -0.15 0.36 0.28 -0.04 1.64 2.09 1x9eA1 LEU 335 HB3 -0.22 0.07 0.12 -0.04 1.64 1.57 1x9eA1 LEU 335 HG -0.27 0.03 -0.02 -0.04 1.64 1.34 1x9eA1 LEU 335 HD13 0.01 -0.01 0.04 -0.04 0.93 0.93 1x9eA1 LEU 335 HD23 -0.48 -0.07 -0.02 -0.04 0.89 0.28 1x9eA1 LEU 336 H -0.07 0.44 -0.24 -0.55 8.37 7.95 1x9eA1 LEU 336 HA -0.09 0.08 0.45 -0.75 4.35 4.04 1x9eA1 LEU 336 HB2 -0.01 0.02 0.11 -0.04 1.64 1.71 1x9eA1 LEU 336 HB3 -0.06 -0.04 -0.04 -0.04 1.64 1.46 1x9eA1 LEU 336 HG -0.02 0.18 0.02 -0.04 1.64 1.77 1x9eA1 LEU 336 HD13 0.06 -0.04 -0.06 -0.04 0.93 0.85 1x9eA1 LEU 336 HD23 0.02 0.00 -0.09 -0.04 0.89 0.77 1x9eA1 ASP 337 H -0.03 0.63 -0.01 -0.55 8.40 8.45 1x9eA1 ASP 337 HA -0.04 -0.00 0.42 -0.75 4.63 4.25 1x9eA1 ASP 337 HB2 -0.01 0.04 0.15 -0.04 2.71 2.86 1x9eA1 ASP 337 HB3 -0.00 -0.09 0.05 -0.04 2.70 2.62 1x9eA1 ASN 338 H -0.03 0.69 -0.25 -0.55 8.53 8.40 1x9eA1 ASN 338 HA 0.01 0.09 0.71 -0.75 4.76 4.82 1x9eA1 ASN 338 HB2 -0.02 0.11 0.00 -0.04 2.88 2.93 1x9eA1 ASN 338 HB3 -0.01 -0.11 0.13 -0.04 2.79 2.75 1x9eA1 ASN 338 HD21 -0.01 -0.09 -0.02 -0.04 7.03 6.87 1x9eA1 ASN 338 HD22 -0.01 -0.02 -0.07 -0.04 7.74 7.59 1x9eA1 ARG 339 H -0.00 0.30 -0.46 -0.55 8.46 7.75 1x9eA1 ARG 339 HA -0.05 0.04 0.49 -0.75 4.34 4.07 1x9eA1 ARG 339 HB2 0.16 -0.02 -0.10 -0.04 1.90 1.90 1x9eA1 ARG 339 HB3 0.21 -0.08 -0.32 -0.04 1.80 1.57 1x9eA1 ARG 339 HG2 -0.07 -0.06 -0.02 -0.04 1.67 1.47 1x9eA1 ARG 339 HG3 -0.06 0.21 0.13 -0.04 1.67 1.91 1x9eA1 ARG 339 HD2 0.07 -0.01 -0.22 -0.04 3.22 3.02 1x9eA1 ARG 339 HD3 -0.08 -0.04 -0.06 -0.04 3.22 2.99 1x9eA1 THR 340 H -0.06 0.84 0.45 -0.55 8.28 8.97 1x9eA1 THR 340 HA 0.07 0.10 0.72 -0.75 4.39 4.52 1x9eA1 THR 340 HB 0.15 -0.04 0.16 -0.04 4.32 4.56 1x9eA1 THR 340 HG23 0.11 -0.03 -0.13 -0.04 1.22 1.13 1x9eA1 GLU 341 H -0.03 0.15 0.16 -0.55 8.60 8.33 1x9eA1 GLU 341 HA -0.75 0.28 0.83 -0.75 4.29 3.89 1x9eA1 GLU 341 HB2 -0.25 0.07 0.09 -0.04 2.09 1.96 1x9eA1 GLU 341 HB3 -0.13 -0.07 0.18 -0.04 1.99 1.93 1x9eA1 GLU 341 HG2 -0.30 0.14 -0.09 -0.04 2.34 2.04 1x9eA1 GLU 341 HG3 -0.89 -0.00 -0.02 -0.04 2.34 1.39 1x9eA1 LEU 342 H -0.19 0.56 0.39 -0.55 8.37 8.58 1x9eA1 LEU 342 HA -0.02 0.07 0.61 -0.75 4.35 4.26 1x9eA1 LEU 342 HB2 0.01 -0.00 0.01 -0.04 1.64 1.62 1x9eA1 LEU 342 HB3 0.03 -0.10 0.02 -0.04 1.64 1.55 1x9eA1 LEU 342 HG 0.10 0.10 0.06 -0.04 1.64 1.86 1x9eA1 LEU 342 HD13 -0.02 -0.00 -0.17 -0.04 0.93 0.69 1x9eA1 LEU 342 HD23 -0.07 -0.01 -0.11 -0.04 0.89 0.66 1x9eA1 SER 343 H 0.00 0.06 0.23 -0.55 8.46 8.20 1x9eA1 SER 343 HA -0.01 0.20 0.60 -0.75 4.49 4.52 1x9eA1 SER 343 HB2 0.01 -0.01 0.18 -0.04 3.95 4.09 1x9eA1 SER 343 HB3 0.00 0.17 0.16 -0.04 3.93 4.22 1x9eA1 ILE 344 H 0.02 0.22 0.15 -0.55 8.25 8.09 1x9eA1 ILE 344 HA 0.14 0.11 0.30 -0.75 4.18 3.97 1x9eA1 ILE 344 HB 0.04 -0.01 0.13 -0.04 1.89 2.01 1x9eA1 ILE 344 HG12 -0.00 -0.06 -0.02 -0.04 1.49 1.36 1x9eA1 ILE 344 HG13 0.02 0.18 -0.05 -0.04 1.21 1.31 1x9eA1 ILE 344 HG23 0.09 0.02 -0.09 -0.04 0.93 0.91 1x9eA1 ILE 344 HD13 -0.03 -0.00 -0.12 -0.04 0.88 0.68 1x9eA1 ALA 345 H 0.03 0.06 -0.17 -0.55 8.40 7.78 1x9eA1 ALA 345 HA 0.02 0.13 0.35 -0.75 4.34 4.09 1x9eA1 ALA 345 HB3 0.01 0.01 0.06 -0.04 1.41 1.46 1x9eA1 GLU 346 H 0.02 0.00 -0.16 -0.55 8.60 7.92 1x9eA1 GLU 346 HA -0.01 0.06 0.38 -0.75 4.29 3.97 1x9eA1 GLU 346 HB2 0.02 -0.06 0.19 -0.04 2.09 2.20 1x9eA1 GLU 346 HB3 -0.02 0.08 0.03 -0.04 1.99 2.03 1x9eA1 GLU 346 HG2 -0.01 0.08 0.06 -0.04 2.34 2.43 1x9eA1 GLU 346 HG3 0.01 -0.08 0.10 -0.04 2.34 2.32 1x9eA1 TYR 347 H 0.14 0.76 -0.26 -0.55 8.29 8.38 1x9eA1 TYR 347 HA -0.01 0.01 0.28 -0.75 4.56 4.09 1x9eA1 TYR 347 HB2 -0.02 -0.01 -0.09 -0.04 3.06 2.91 1x9eA1 TYR 347 HB3 -0.03 0.03 0.09 -0.04 2.98 3.03 1x9eA1 TYR 347 HD2 0.00 0.01 -0.05 -0.04 7.15 7.07 1x9eA1 TYR 347 HE2 -0.03 0.00 -0.07 -0.04 6.85 6.71 1x9eA1 GLU 348 H -0.02 0.63 -0.15 -0.55 8.60 8.51 1x9eA1 GLU 348 HA -0.44 -0.01 0.53 -0.75 4.29 3.62 1x9eA1 GLU 348 HB2 -0.05 0.09 0.17 -0.04 2.09 2.26 1x9eA1 GLU 348 HB3 -0.10 -0.05 0.09 -0.04 1.99 1.89 1x9eA1 GLU 348 HG2 -0.31 -0.08 -0.00 -0.04 2.34 1.91 1x9eA1 GLU 348 HG3 0.05 0.22 0.09 -0.04 2.34 2.66 1x9eA1 ALA 349 H -0.05 0.44 -0.24 -0.55 8.40 8.01 1x9eA1 ALA 349 HA -0.02 0.03 0.39 -0.75 4.34 3.98 1x9eA1 ALA 349 HB3 -0.02 0.02 0.09 -0.04 1.41 1.45 1x9eA1 MET 350 H -0.05 0.47 -0.10 -0.55 8.47 8.25 1x9eA1 MET 350 HA -0.03 0.01 0.52 -0.75 4.52 4.27 1x9eA1 MET 350 HB2 -0.07 0.03 0.07 -0.04 2.15 2.14 1x9eA1 MET 350 HB3 0.01 0.09 0.04 -0.04 2.03 2.13 1x9eA1 MET 350 HG2 -0.01 0.11 -0.18 -0.04 2.63 2.51 1x9eA1 MET 350 HG3 -0.09 -0.08 -0.01 -0.04 2.56 2.33 1x9eA1 MET 350 HE3 -0.81 -0.01 -0.09 -0.04 2.10 1.15 1x9eA1 PHE 351 H -0.02 0.41 -0.12 -0.55 8.34 8.06 1x9eA1 PHE 351 HA -0.05 0.11 0.47 -0.75 4.62 4.40 1x9eA1 PHE 351 HB2 -0.46 0.05 0.08 -0.04 3.15 2.78 1x9eA1 PHE 351 HB3 -0.36 0.00 0.09 -0.04 3.06 2.76 1x9eA1 PHE 351 HD2 0.01 0.07 -0.17 -0.04 7.28 7.15 1x9eA1 PHE 351 HE2 0.08 -0.02 0.02 -0.04 7.38 7.41 1x9eA1 PHE 351 HZ 0.05 -0.31 0.01 -0.04 7.32 7.03 1x9eA1 ALA 352 H 0.07 0.34 -0.20 -0.55 8.40 8.06 1x9eA1 ALA 352 HA 0.09 0.07 0.60 -0.75 4.34 4.35 1x9eA1 ALA 352 HB3 0.06 -0.01 0.10 -0.04 1.41 1.51 1x9eA1 GLU 353 H -0.02 0.23 -0.30 -0.55 8.60 7.96 1x9eA1 GLU 353 HA -0.02 -0.05 0.45 -0.75 4.29 3.92 1x9eA1 GLU 353 HB2 -0.02 0.19 0.17 -0.04 2.09 2.39 1x9eA1 GLU 353 HB3 -0.03 -0.04 0.05 -0.04 1.99 1.93 1x9eA1 GLU 353 HG2 -0.02 0.08 0.06 -0.04 2.34 2.42 1x9eA1 GLU 353 HG3 -0.01 -0.04 0.08 -0.04 2.34 2.32 1x9eA1 THR 354 H -0.02 0.06 0.21 -0.55 8.28 7.98 1x9eA1 THR 354 HA -0.05 0.28 0.93 -0.75 4.39 4.80 1x9eA1 THR 354 HB -0.03 -0.09 -0.12 -0.04 4.32 4.04 1x9eA1 THR 354 HG23 -0.05 0.01 -0.05 -0.04 1.22 1.09 1x9eA1 LEU 355 H -0.05 0.25 0.09 -0.55 8.37 8.12 1x9eA1 LEU 355 HA -0.03 0.19 0.76 -0.75 4.35 4.52 1x9eA1 LEU 355 HB2 -0.03 0.07 0.02 -0.04 1.64 1.66 1x9eA1 LEU 355 HB3 -0.03 -0.04 0.17 -0.04 1.64 1.69 1x9eA1 LEU 355 HG -0.03 -0.00 -0.34 -0.04 1.64 1.23 1x9eA1 LEU 355 HD13 -0.03 0.04 -0.14 -0.04 0.93 0.76 1x9eA1 LEU 355 HD23 -0.03 0.01 -0.07 -0.04 0.89 0.76 1x9eA1 ASP 356 H -0.03 0.26 -0.04 -0.55 8.40 8.05 1x9eA1 ASP 356 HA -0.03 0.10 0.69 -0.75 4.63 4.64 1x9eA1 ASP 356 HB2 -0.02 0.07 0.04 -0.04 2.71 2.75 1x9eA1 ASP 356 HB3 -0.02 0.04 0.16 -0.04 2.70 2.84 1x9eA1 THR 357 H -0.03 0.26 0.11 -0.55 8.28 8.07 1x9eA1 THR 357 HA -0.03 0.17 0.41 -0.75 4.39 4.19 1x9eA1 THR 357 HB -0.02 0.03 0.12 -0.04 4.32 4.41 1x9eA1 THR 357 HG23 -0.02 -0.02 -0.10 -0.04 1.22 1.04 1x9eA1 ASP 358 H -0.02 0.00 -0.28 -0.55 8.40 7.56 1x9eA1 ASP 358 HA -0.02 0.09 0.43 -0.75 4.63 4.38 1x9eA1 ASP 358 HB2 -0.02 -0.03 0.02 -0.04 2.71 2.65 1x9eA1 ASP 358 HB3 -0.01 0.02 -0.01 -0.04 2.70 2.66 1x9eA1 ILE 359 H -0.02 0.12 -0.35 -0.55 8.25 7.45 1x9eA1 ILE 359 HA -0.02 0.08 0.68 -0.75 4.18 4.17 1x9eA1 ILE 359 HB -0.02 0.05 0.06 -0.04 1.89 1.95 1x9eA1 ILE 359 HG12 -0.01 0.03 -0.03 -0.04 1.49 1.44 1x9eA1 ILE 359 HG13 -0.02 -0.13 -0.06 -0.04 1.21 0.96 1x9eA1 ILE 359 HG23 -0.01 0.01 -0.19 -0.04 0.93 0.70 1x9eA1 ILE 359 HD13 -0.01 0.00 -0.00 -0.04 0.88 0.82 1x9eA1 ASP 360 H -0.02 0.09 0.19 -0.55 8.40 8.11 1x9eA1 ASP 360 HA -0.02 0.22 0.51 -0.75 4.63 4.58 1x9eA1 ASP 360 HB2 -0.02 -0.04 0.17 -0.04 2.71 2.79 1x9eA1 ASP 360 HB3 -0.02 0.05 0.11 -0.04 2.70 2.81 1x9eA1 GLN 361 H -0.03 0.46 0.40 -0.55 8.47 8.76 1x9eA1 GLN 361 HA -0.02 0.06 0.63 -0.75 4.36 4.28 1x9eA1 GLN 361 HB2 -0.02 0.03 -0.02 -0.04 2.15 2.09 1x9eA1 GLN 361 HB3 -0.02 0.10 -0.35 -0.04 2.02 1.71 1x9eA1 GLN 361 HG2 -0.03 0.17 -0.13 -0.04 2.40 2.37 1x9eA1 GLN 361 HG3 -0.03 -0.09 -0.30 -0.04 2.39 1.93 1x9eA1 GLN 361 HE21 -0.02 -0.24 0.01 -0.04 6.97 6.68 1x9eA1 GLN 361 HE22 -0.02 0.56 -0.01 -0.04 7.69 8.17 1x9eA1 THR 362 H -0.02 0.24 0.20 -0.55 8.28 8.16 1x9eA1 THR 362 HA -0.02 0.24 1.09 -0.75 4.39 4.94 1x9eA1 THR 362 HB -0.01 0.05 -0.08 -0.04 4.32 4.24 1x9eA1 THR 362 HG23 -0.02 0.02 0.01 -0.04 1.22 1.20 1x9eA1 LEU 363 H -0.02 0.74 0.20 -0.55 8.37 8.75 1x9eA1 LEU 363 HA -0.00 0.12 0.90 -0.75 4.35 4.61 1x9eA1 LEU 363 HB2 -0.01 0.22 -0.11 -0.04 1.64 1.69 1x9eA1 LEU 363 HB3 0.00 -0.04 -0.05 -0.04 1.64 1.52 1x9eA1 LEU 363 HG -0.01 0.08 -0.31 -0.04 1.64 1.35 1x9eA1 LEU 363 HD13 -0.04 -0.04 -0.52 -0.04 0.93 0.29 1x9eA1 LEU 363 HD23 -0.01 -0.02 -0.20 -0.04 0.89 0.62 1x9eA1 GLU 364 H 0.01 0.17 0.14 -0.55 8.60 8.38 1x9eA1 GLU 364 HA 0.01 0.23 0.99 -0.75 4.29 4.77 1x9eA1 GLU 364 HB2 0.01 -0.03 0.09 -0.04 2.09 2.12 1x9eA1 GLU 364 HB3 0.02 -0.01 -0.02 -0.04 1.99 1.93 1x9eA1 GLU 364 HG2 0.00 0.09 -0.03 -0.04 2.34 2.37 1x9eA1 GLU 364 HG3 0.00 -0.03 -0.26 -0.04 2.34 2.02 1x9eA1 ASP 365 H 0.03 0.40 0.05 -0.55 8.40 8.33 1x9eA1 ASP 365 HA 0.07 0.02 0.51 -0.75 4.63 4.48 1x9eA1 ASP 365 HB2 0.06 0.08 -0.26 -0.04 2.71 2.55 1x9eA1 ASP 365 HB3 0.06 0.09 -0.08 -0.04 2.70 2.72 1x9eA1 GLU 366 H 0.07 0.14 0.11 -0.55 8.60 8.37 1x9eA1 GLU 366 HA 0.02 0.13 0.51 -0.75 4.29 4.20 1x9eA1 GLU 366 HB2 0.05 -0.03 0.12 -0.04 2.09 2.19 1x9eA1 GLU 366 HB3 0.03 0.04 0.01 -0.04 1.99 2.03 1x9eA1 GLU 366 HG2 0.02 0.03 0.04 -0.04 2.34 2.38 1x9eA1 GLU 366 HG3 0.03 -0.04 0.01 -0.04 2.34 2.30 1x9eA1 LEU 367 H 0.08 -0.06 -0.24 -0.55 8.37 7.61 1x9eA1 LEU 367 HA 0.05 0.06 0.40 -0.75 4.35 4.11 1x9eA1 LEU 367 HB2 0.15 -0.04 0.06 -0.04 1.64 1.77 1x9eA1 LEU 367 HB3 0.13 -0.06 -0.03 -0.04 1.64 1.63 1x9eA1 LEU 367 HG 0.09 0.36 -0.18 -0.04 1.64 1.87 1x9eA1 LEU 367 HD13 0.20 -0.03 0.05 -0.04 0.93 1.12 1x9eA1 LEU 367 HD23 0.39 -0.03 -0.08 -0.04 0.89 1.13 1x9eA1 LYS 368 H -0.03 0.09 0.20 -0.55 8.42 8.13 1x9eA1 LYS 368 HA -0.18 0.19 0.56 -0.75 4.32 4.14 1x9eA1 LYS 368 HB2 -0.17 0.03 0.16 -0.04 1.87 1.84 1x9eA1 LYS 368 HB3 -0.18 -0.02 0.09 -0.04 1.79 1.65 1x9eA1 LYS 368 HG2 -1.53 -0.00 -0.10 -0.04 1.46 -0.21 1x9eA1 LYS 368 HG3 -0.55 -0.04 0.15 -0.04 1.46 0.99 1x9eA1 LYS 368 HD2 -0.20 0.01 0.02 -0.04 1.69 1.47 1x9eA1 LYS 368 HD3 -0.23 0.03 -0.04 -0.04 1.68 1.40 1x9eA1 LYS 368 HE2 -0.69 -0.05 0.00 -0.04 2.99 2.21 1x9eA1 LYS 368 HE3 -0.25 -0.03 0.02 -0.04 2.99 2.69 1x9eA1 TYR 369 H -0.28 0.79 0.21 -0.55 8.29 8.45 1x9eA1 TYR 369 HA 0.00 -0.07 0.08 -0.75 4.56 3.82 1x9eA1 TYR 369 HB2 -0.15 0.29 0.03 -0.04 3.06 3.18 1x9eA1 TYR 369 HB3 -0.18 -0.12 0.03 -0.04 2.98 2.66 1x9eA1 TYR 369 HD2 -0.11 0.00 -0.26 -0.04 7.15 6.74 1x9eA1 TYR 369 HE2 -0.07 0.06 -0.11 -0.04 6.85 6.68 1x9eA1 SER 370 H 0.06 0.36 -0.36 -0.55 8.46 7.98 1x9eA1 SER 370 HA 0.11 0.01 0.59 -0.75 4.49 4.44 1x9eA1 SER 370 HB2 0.08 0.09 0.04 -0.04 3.95 4.13 1x9eA1 SER 370 HB3 0.10 -0.12 -0.06 -0.04 3.93 3.81 1x9eA1 ILE 371 H 0.09 0.67 0.25 -0.55 8.25 8.71 1x9eA1 ILE 371 HA -0.11 0.18 0.66 -0.75 4.18 4.16 1x9eA1 ILE 371 HB -0.01 -0.05 0.13 -0.04 1.89 1.92 1x9eA1 ILE 371 HG12 -0.08 -0.03 -0.06 -0.04 1.49 1.28 1x9eA1 ILE 371 HG13 0.12 -0.01 -0.05 -0.04 1.21 1.23 1x9eA1 ILE 371 HG23 -0.15 -0.01 -0.13 -0.04 0.93 0.60 1x9eA1 ILE 371 HD13 0.00 0.03 -0.08 -0.04 0.88 0.78 1x9eA1 SER 372 H -0.09 0.43 0.24 -0.55 8.46 8.49 1x9eA1 SER 372 HA -0.02 0.27 0.71 -0.75 4.49 4.70 1x9eA1 SER 372 HB2 -0.02 -0.01 -0.04 -0.04 3.95 3.84 1x9eA1 SER 372 HB3 -0.01 0.01 -0.09 -0.04 3.93 3.80 1x9eA1 ALA 373 H -0.12 0.18 0.23 -0.55 8.40 8.15 1x9eA1 ALA 373 HA -0.05 0.16 0.58 -0.75 4.34 4.27 1x9eA1 ALA 373 HB3 -0.05 0.02 -0.02 -0.04 1.41 1.32 1x9eA1 ILE 374 H -0.05 0.58 0.27 -0.55 8.25 8.51 1x9eA1 ILE 374 HA -0.08 0.39 0.83 -0.75 4.18 4.57 1x9eA1 ILE 374 HB -0.04 0.01 0.10 -0.04 1.89 1.91 1x9eA1 ILE 374 HG12 -0.08 0.03 -0.17 -0.04 1.49 1.23 1x9eA1 ILE 374 HG13 -0.07 -0.11 -0.64 -0.04 1.21 0.34 1x9eA1 ILE 374 HG23 -0.04 -0.04 -0.30 -0.04 0.93 0.51 1x9eA1 ILE 374 HD13 -0.04 -0.00 -0.21 -0.04 0.88 0.58 1x9eA1 ASN 375 H -0.05 0.71 0.14 -0.55 8.53 8.78 1x9eA1 ASN 375 HA -0.03 0.13 0.83 -0.75 4.76 4.93 1x9eA1 ASN 375 HB2 -0.03 0.04 -0.06 -0.04 2.88 2.79 1x9eA1 ASN 375 HB3 -0.03 0.02 0.08 -0.04 2.79 2.82 1x9eA1 ASN 375 HD21 -0.02 -0.00 0.03 -0.04 7.03 7.00 1x9eA1 ASN 375 HD22 -0.02 0.04 0.11 -0.04 7.74 7.83 1x9eA1 ASN 376 H -0.02 0.20 0.07 -0.55 8.53 8.24 1x9eA1 ASN 376 HA -0.02 0.07 0.30 -0.75 4.76 4.37 1x9eA1 ASN 376 HB2 -0.01 -0.04 -0.22 -0.04 2.88 2.56 1x9eA1 ASN 376 HB3 -0.02 0.11 0.21 -0.04 2.79 3.06 1x9eA1 ASN 376 HD21 -0.01 -0.00 0.04 -0.04 7.03 7.02 1x9eA1 ASN 376 HD22 -0.01 0.01 0.05 -0.04 7.74 7.75 1x9eA1 THR 377 H -0.02 0.11 -0.33 -0.55 8.28 7.49 1x9eA1 THR 377 HA -0.03 0.43 0.25 -0.75 4.39 4.29 1x9eA1 THR 377 HB -0.02 -0.08 0.11 -0.04 4.32 4.29 1x9eA1 THR 377 HG23 -0.01 -0.03 -0.26 -0.04 1.22 0.88 1x9eA1 VAL 378 H -0.03 0.44 -0.68 -0.55 8.24 7.42 1x9eA1 VAL 378 HA -0.03 0.04 0.64 -0.75 4.13 4.02 1x9eA1 VAL 378 HB -0.03 0.05 0.08 -0.04 2.12 2.18 1x9eA1 VAL 378 HG13 -0.03 0.01 -0.10 -0.04 0.97 0.81 1x9eA1 VAL 378 HG23 -0.02 0.02 -0.03 -0.04 0.95 0.89 1x9eA1 ARG 379 H -0.08 0.09 0.19 -0.55 8.46 8.11 1x9eA1 ARG 379 HA -0.18 0.34 0.91 -0.75 4.34 4.65 1x9eA1 ARG 379 HB2 -0.29 -0.09 0.05 -0.04 1.90 1.52 1x9eA1 ARG 379 HB3 -0.51 0.05 0.01 -0.04 1.80 1.31 1x9eA1 ARG 379 HG2 -0.11 0.07 -0.07 -0.04 1.67 1.52 1x9eA1 ARG 379 HG3 -0.07 0.05 0.05 -0.04 1.67 1.66 1x9eA1 ARG 379 HD2 0.04 -0.10 -0.01 -0.04 3.22 3.11 1x9eA1 ARG 379 HD3 -0.05 -0.00 -0.04 -0.04 3.22 3.09 1x9eA1 SER 380 H -0.27 0.49 0.35 -0.55 8.46 8.49 1x9eA1 SER 380 HA -0.15 0.18 0.83 -0.75 4.49 4.60 1x9eA1 SER 380 HB2 -0.11 -0.12 0.08 -0.04 3.95 3.76 1x9eA1 SER 380 HB3 -0.06 0.07 -0.01 -0.04 3.93 3.90 1x9eA1 TYR 381 H 0.07 0.23 0.15 -0.55 8.29 8.19 1x9eA1 TYR 381 HA 0.01 0.29 0.88 -0.75 4.56 4.99 1x9eA1 TYR 381 HB2 0.06 -0.01 -0.03 -0.04 3.06 3.03 1x9eA1 TYR 381 HB3 0.10 0.04 -0.19 -0.04 2.98 2.89 1x9eA1 TYR 381 HD2 0.00 0.10 -0.34 -0.04 7.15 6.88 1x9eA1 TYR 381 HE2 -0.03 -0.05 -0.13 -0.04 6.85 6.60 1x9eA1 ARG 382 H 0.13 0.87 0.12 -0.55 8.46 9.03 1x9eA1 ARG 382 HA 0.01 0.11 0.63 -0.75 4.34 4.33 1x9eA1 ARG 382 HB2 0.01 -0.00 0.01 -0.04 1.90 1.88 1x9eA1 ARG 382 HB3 0.01 0.01 0.23 -0.04 1.80 2.01 1x9eA1 ARG 382 HG2 -0.05 -0.07 0.00 -0.04 1.67 1.51 1x9eA1 ARG 382 HG3 -0.02 -0.01 -0.01 -0.04 1.67 1.59 1x9eA1 ARG 382 HD2 0.00 0.16 -0.00 -0.04 3.22 3.34 1x9eA1 ARG 382 HD3 -0.01 -0.03 -0.01 -0.04 3.22 3.13 1x9eA1 ASN 383 H 0.02 0.33 0.01 -0.55 8.53 8.35 1x9eA1 ASN 383 HA -0.52 0.13 0.64 -0.75 4.76 4.25 1x9eA1 ASN 383 HB2 0.10 0.11 0.04 -0.04 2.88 3.09 1x9eA1 ASN 383 HB3 0.23 -0.03 -0.07 -0.04 2.79 2.87 1x9eA1 ASN 383 HD21 0.04 -0.01 0.01 -0.04 7.03 7.03 1x9eA1 ASN 383 HD22 0.10 0.09 0.01 -0.04 7.74 7.89