============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 36 rings ring int. center anis. iso. TYR 3 0.840 51.938 -89.551 -5.264 -99.200 -91.000 TYR 10 0.840 53.145 -91.198 10.033 -99.200 -91.000 TYR 11 0.840 56.613 -93.743 6.820 -99.200 -91.000 PHE 23 1.000 65.396 -86.213 29.303 -99.200 -91.000 HIS 26 0.900 74.310 -83.497 26.218 -99.200 -91.000 TYR 46 0.840 65.885 -94.268 21.109 -99.200 -91.000 HIS 47 0.900 74.408 -92.380 19.919 -99.200 -91.000 HIS 54 0.900 77.383 -94.231 15.245 -99.200 -91.000 HIS 58 0.900 70.895-100.075 18.780 -99.200 -91.000 TYR 72 0.840 61.506 -91.587 5.232 -99.200 -91.000 TYR 108 0.840 79.831 -87.789 -5.475 -99.200 -91.000 HIS 119 0.900 70.889 -81.732 0.929 -99.200 -91.000 PHE 131 1.000 77.326 -82.801 17.437 -99.200 -91.000 PHE 138 1.000 83.454 -69.393 21.904 -99.200 -91.000 TYR 140 0.840 71.589 -72.860 22.909 -99.200 -91.000 TRP 161 1.040 69.187 -72.031 43.383 -99.200 -91.000 TRP6 161 1.020 69.955 -70.980 45.323 -99.200 -91.000 HIS 179 0.900 78.388 -82.781 27.786 -99.200 -91.000 TRP 199 1.040 64.664 -90.989 37.094 -99.200 -91.000 TRP6 199 1.020 62.888 -92.315 37.925 -99.200 -91.000 TYR 210 0.840 67.533 -89.498 32.473 -99.200 -91.000 HIS 233 0.900 82.073 -75.688 50.692 -99.200 -91.000 TRP 243 1.040 84.924 -81.477 34.774 -99.200 -91.000 TRP6 243 1.020 84.657 -81.108 32.441 -99.200 -91.000 PHE 244 1.000 85.961 -77.156 42.501 -99.200 -91.000 TRP 254 1.040 90.486 -80.611 45.466 -99.200 -91.000 TRP6 254 1.020 88.642 -79.338 46.168 -99.200 -91.000 HIS 266 0.900 90.635 -59.700 29.428 -99.200 -91.000 HIS 269 0.900 86.783 -60.002 37.103 -99.200 -91.000 TRP 286 1.040 70.351 -75.034 34.344 -99.200 -91.000 TRP6 286 1.020 68.230 -74.226 33.392 -99.200 -91.000 TYR 309 0.840 61.838 -71.335 35.293 -99.200 -91.000 PHE 330 1.000 69.559 -62.068 25.182 -99.200 -91.000 PHE 332 1.000 60.204 -61.654 25.779 -99.200 -91.000 HIS 337 0.900 49.720 -68.957 32.406 -99.200 -91.000 HIS 345 0.900 62.090 -71.368 27.474 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2o7pA1 THR -4 HA -0.54 -0.08 0.15 -0.75 4.39 3.16 2o7pA1 LEU -3 H -0.46 0.17 0.15 -0.55 8.37 7.69 2o7pA1 LEU -3 HA -0.10 0.22 0.83 -0.75 4.35 4.55 2o7pA1 LEU -3 HB2 -0.02 0.06 0.07 -0.04 1.64 1.71 2o7pA1 LEU -3 HB3 0.06 -0.02 0.04 -0.04 1.64 1.68 2o7pA1 LEU -3 HG -0.01 0.04 0.06 -0.04 1.64 1.68 2o7pA1 LEU -3 HD13 0.02 0.01 -0.01 -0.04 0.93 0.91 2o7pA1 LEU -3 HD23 0.02 -0.01 -0.05 -0.04 0.89 0.81 2o7pA1 TYR -2 H -0.13 0.12 0.14 -0.55 8.29 7.86 2o7pA1 TYR -2 HA -0.00 0.13 0.54 -0.75 4.56 4.47 2o7pA1 TYR -2 HB2 0.01 0.06 -0.01 -0.04 3.06 3.08 2o7pA1 TYR -2 HB3 0.00 0.06 0.12 -0.04 2.98 3.12 2o7pA1 TYR -2 HD2 0.01 0.01 0.06 -0.04 7.15 7.19 2o7pA1 TYR -2 HE2 0.01 0.05 0.05 -0.04 6.85 6.92 2o7pA1 ILE -1 H -0.43 0.11 -0.24 -0.55 8.25 7.14 2o7pA1 ILE -1 HA 0.07 0.06 0.25 -0.75 4.18 3.81 2o7pA1 ILE -1 HB -0.07 0.12 -0.12 -0.04 1.89 1.77 2o7pA1 ILE -1 HG12 0.09 -0.04 -0.03 -0.04 1.49 1.47 2o7pA1 ILE -1 HG13 -0.47 -0.06 -0.00 -0.04 1.21 0.63 2o7pA1 ILE -1 HG23 0.10 0.02 -0.04 -0.04 0.93 0.96 2o7pA1 ILE -1 HD13 0.03 0.03 -0.02 -0.04 0.88 0.89 2o7pA1 GLN 0 H -0.11 0.09 -0.59 -0.55 8.47 7.31 2o7pA1 GLN 0 HA -0.01 0.07 0.44 -0.75 4.36 4.10 2o7pA1 GLN 0 HB2 -0.05 0.16 0.20 -0.04 2.15 2.42 2o7pA1 GLN 0 HB3 -0.04 0.27 0.19 -0.04 2.02 2.40 2o7pA1 GLN 0 HG2 -0.02 -0.03 0.02 -0.04 2.40 2.33 2o7pA1 GLN 0 HG3 -0.01 -0.00 -0.19 -0.04 2.39 2.14 2o7pA1 GLN 0 HE21 -0.02 0.00 0.01 -0.04 6.97 6.93 2o7pA1 GLN 0 HE22 -0.03 0.02 0.05 -0.04 7.69 7.69 2o7pA1 GLY 1 H 0.00 0.42 -0.22 -0.55 8.43 8.08 2o7pA1 GLY 1 HA2 0.00 0.07 0.47 -0.51 4.01 4.04 2o7pA1 GLY 1 HA3 0.00 0.04 0.29 -0.51 4.01 3.83 2o7pA1 GLN 2 H 0.03 0.63 0.05 -0.55 8.47 8.63 2o7pA1 GLN 2 HA -0.08 0.02 0.37 -0.75 4.36 3.92 2o7pA1 GLN 2 HB2 0.09 0.07 -0.02 -0.04 2.15 2.24 2o7pA1 GLN 2 HB3 0.13 -0.00 0.07 -0.04 2.02 2.17 2o7pA1 GLN 2 HG2 0.18 -0.04 -0.08 -0.04 2.40 2.42 2o7pA1 GLN 2 HG3 0.30 0.01 -0.12 -0.04 2.39 2.54 2o7pA1 GLN 2 HE21 0.04 0.04 -0.02 -0.04 6.97 6.99 2o7pA1 GLN 2 HE22 0.30 -0.04 -0.05 -0.04 7.69 7.86 2o7pA1 ASP 3 H 0.08 0.91 -0.13 -0.55 8.40 8.72 2o7pA1 ASP 3 HA 0.11 -0.01 0.47 -0.75 4.63 4.45 2o7pA1 ASP 3 HB2 0.11 0.13 0.05 -0.04 2.71 2.96 2o7pA1 ASP 3 HB3 0.25 -0.02 -0.07 -0.04 2.70 2.81 2o7pA1 GLU 4 H 0.02 0.29 -0.37 -0.55 8.60 7.99 2o7pA1 GLU 4 HA -0.00 -0.01 0.32 -0.75 4.29 3.84 2o7pA1 GLU 4 HB2 0.00 0.24 0.33 -0.04 2.09 2.62 2o7pA1 GLU 4 HB3 0.00 -0.01 0.02 -0.04 1.99 1.96 2o7pA1 GLU 4 HG2 -0.00 -0.06 0.02 -0.04 2.34 2.26 2o7pA1 GLU 4 HG3 -0.00 -0.02 0.08 -0.04 2.34 2.36 2o7pA1 TYR 5 H -0.02 0.25 -0.57 -0.55 8.29 7.40 2o7pA1 TYR 5 HA -0.15 0.03 0.47 -0.75 4.56 4.16 2o7pA1 TYR 5 HB2 -0.21 -0.01 0.04 -0.04 3.06 2.84 2o7pA1 TYR 5 HB3 -0.47 0.12 0.13 -0.04 2.98 2.71 2o7pA1 TYR 5 HD2 -0.68 0.00 -0.09 -0.04 7.15 6.34 2o7pA1 TYR 5 HE2 -0.10 -0.02 -0.07 -0.04 6.85 6.61 2o7pA1 TYR 6 H -0.34 0.33 -0.01 -0.55 8.29 7.71 2o7pA1 TYR 6 HA -0.26 -0.01 0.28 -0.75 4.56 3.82 2o7pA1 TYR 6 HB2 -1.23 0.09 0.11 -0.04 3.06 1.99 2o7pA1 TYR 6 HB3 -0.44 -0.04 0.07 -0.04 2.98 2.53 2o7pA1 TYR 6 HD2 -0.07 0.02 -0.05 -0.04 7.15 7.00 2o7pA1 TYR 6 HE2 0.12 -0.04 -0.10 -0.04 6.85 6.78 2o7pA1 ALA 8 HA -0.08 -0.10 0.32 -0.75 4.34 3.72 2o7pA1 ALA 8 HB3 -0.14 0.04 0.14 -0.04 1.41 1.41 2o7pA1 ARG 9 H -0.24 0.59 -0.99 -0.55 8.46 7.27 2o7pA1 ARG 9 HA -0.15 -0.02 0.38 -0.75 4.34 3.80 2o7pA1 ARG 9 HB2 -0.30 -0.00 0.03 -0.04 1.90 1.59 2o7pA1 ARG 9 HB3 -0.11 0.16 0.12 -0.04 1.80 1.93 2o7pA1 ARG 9 HG2 -0.00 -0.01 -0.11 -0.04 1.67 1.51 2o7pA1 ARG 9 HG3 -0.05 -0.10 -0.08 -0.04 1.67 1.40 2o7pA1 ARG 9 HD2 -0.10 -0.01 -0.01 -0.04 3.22 3.05 2o7pA1 ARG 9 HD3 -0.05 -0.00 -0.04 -0.04 3.22 3.09 2o7pA1 ALA 10 H -0.05 0.69 0.34 -0.55 8.40 8.83 2o7pA1 ALA 10 HA 0.01 0.01 0.24 -0.75 4.34 3.85 2o7pA1 ALA 10 HB3 0.05 0.02 -0.14 -0.04 1.41 1.31 2o7pA1 LEU 11 H -0.04 0.25 -0.46 -0.55 8.37 7.57 2o7pA1 LEU 11 HA -0.03 0.03 0.55 -0.75 4.35 4.15 2o7pA1 LEU 11 HB2 -0.05 0.19 0.05 -0.04 1.64 1.80 2o7pA1 LEU 11 HB3 -0.05 -0.01 -0.07 -0.04 1.64 1.47 2o7pA1 LEU 11 HG -0.01 -0.04 -0.12 -0.04 1.64 1.43 2o7pA1 LEU 11 HD13 -0.02 0.02 -0.05 -0.04 0.93 0.83 2o7pA1 LEU 11 HD23 -0.02 -0.00 -0.09 -0.04 0.89 0.74 2o7pA1 LYS 12 H -0.08 0.44 -0.13 -0.55 8.42 8.10 2o7pA1 LYS 12 HA -0.08 0.02 0.33 -0.75 4.32 3.84 2o7pA1 LYS 12 HB2 -0.09 0.07 0.11 -0.04 1.87 1.92 2o7pA1 LYS 12 HB3 -0.09 0.07 0.12 -0.04 1.79 1.85 2o7pA1 LYS 12 HG2 -0.07 -0.03 -0.04 -0.04 1.46 1.29 2o7pA1 LYS 12 HG3 -0.08 -0.02 -0.03 -0.04 1.46 1.28 2o7pA1 LYS 12 HD2 -0.07 0.02 0.01 -0.04 1.69 1.60 2o7pA1 LYS 12 HD3 -0.06 -0.02 -0.02 -0.04 1.68 1.54 2o7pA1 LYS 12 HE2 -0.06 0.00 0.00 -0.04 2.99 2.89 2o7pA1 LYS 12 HE3 -0.05 -0.01 -0.01 -0.04 2.99 2.88 2o7pA1 LEU 13 H -0.08 0.49 -0.27 -0.55 8.37 7.97 2o7pA1 LEU 13 HA -0.24 0.04 0.38 -0.75 4.35 3.78 2o7pA1 LEU 13 HB2 -0.01 0.09 0.12 -0.04 1.64 1.80 2o7pA1 LEU 13 HB3 0.01 -0.03 -0.08 -0.04 1.64 1.50 2o7pA1 LEU 13 HG -0.03 0.08 -0.01 -0.04 1.64 1.64 2o7pA1 LEU 13 HD13 0.08 -0.02 -0.04 -0.04 0.93 0.91 2o7pA1 LEU 13 HD23 -0.03 -0.01 -0.05 -0.04 0.89 0.76 2o7pA1 ALA 14 H -0.06 0.36 -0.22 -0.55 8.40 7.94 2o7pA1 ALA 14 HA 0.01 0.03 0.18 -0.75 4.34 3.81 2o7pA1 ALA 14 HB3 -0.04 0.03 -0.04 -0.04 1.41 1.32 2o7pA1 GLN 15 H -0.14 0.37 -0.59 -0.55 8.47 7.56 2o7pA1 GLN 15 HA -0.15 0.12 0.34 -0.75 4.36 3.91 2o7pA1 GLN 15 HB2 -0.13 0.01 -0.06 -0.04 2.15 1.93 2o7pA1 GLN 15 HB3 -0.15 -0.03 0.11 -0.04 2.02 1.90 2o7pA1 GLN 15 HG2 -0.10 0.01 -0.00 -0.04 2.40 2.26 2o7pA1 GLN 15 HG3 -0.10 0.16 0.10 -0.04 2.39 2.51 2o7pA1 GLN 15 HE21 -0.06 -0.06 -0.04 -0.04 6.97 6.77 2o7pA1 GLN 15 HE22 -0.07 0.02 0.00 -0.04 7.69 7.60 2o7pA1 ARG 16 H -0.32 0.54 -0.25 -0.55 8.46 7.87 2o7pA1 ARG 16 HA -0.12 -0.04 0.40 -0.75 4.34 3.83 2o7pA1 ARG 16 HB2 -1.16 0.10 0.03 -0.04 1.90 0.83 2o7pA1 ARG 16 HB3 -0.24 -0.05 0.06 -0.04 1.80 1.53 2o7pA1 ARG 16 HG2 -0.20 -0.07 0.01 -0.04 1.67 1.36 2o7pA1 ARG 16 HG3 -0.42 0.13 0.15 -0.04 1.67 1.50 2o7pA1 ARG 16 HD2 -0.30 -0.06 -0.02 -0.04 3.22 2.80 2o7pA1 ARG 16 HD3 -0.55 0.00 -0.02 -0.04 3.22 2.61 2o7pA1 GLY 17 H -0.12 0.31 -0.65 -0.55 8.43 7.43 2o7pA1 GLY 17 HA2 0.06 0.08 0.64 -0.51 4.01 4.29 2o7pA1 GLY 17 HA3 0.08 0.31 0.41 -0.51 4.01 4.30 2o7pA1 ARG 18 H -0.24 0.48 -0.29 -0.55 8.46 7.86 2o7pA1 ARG 18 HA -0.24 0.08 0.18 -0.75 4.34 3.60 2o7pA1 ARG 18 HB2 -0.31 -0.00 0.18 -0.04 1.90 1.73 2o7pA1 ARG 18 HB3 -0.28 -0.03 0.19 -0.04 1.80 1.65 2o7pA1 ARG 18 HG2 -0.80 0.10 0.08 -0.04 1.67 1.00 2o7pA1 ARG 18 HG3 -1.18 0.01 -0.19 -0.04 1.67 0.28 2o7pA1 ARG 18 HD2 -0.32 -0.01 0.03 -0.04 3.22 2.88 2o7pA1 ARG 18 HD3 -0.29 -0.02 0.07 -0.04 3.22 2.94 2o7pA1 PHE 19 H -0.18 0.08 -0.28 -0.55 8.34 7.40 2o7pA1 PHE 19 HA -0.08 0.28 0.74 -0.75 4.62 4.81 2o7pA1 PHE 19 HB2 -0.78 -0.06 -0.01 -0.04 3.15 2.27 2o7pA1 PHE 19 HB3 -0.82 0.07 0.09 -0.04 3.06 2.36 2o7pA1 PHE 19 HD2 -0.14 0.15 -0.23 -0.04 7.28 7.02 2o7pA1 PHE 19 HE2 -0.04 0.01 -0.07 -0.04 7.38 7.24 2o7pA1 PHE 19 HZ -0.03 -0.10 -0.06 -0.04 7.32 7.09 2o7pA1 THR 20 H -0.06 0.34 -0.11 -0.55 8.28 7.90 2o7pA1 THR 20 HA 0.08 0.28 1.11 -0.75 4.39 5.10 2o7pA1 THR 20 HB 0.02 -0.07 0.19 -0.04 4.32 4.42 2o7pA1 THR 20 HG23 0.04 -0.03 -0.14 -0.04 1.22 1.05 2o7pA1 THR 21 H -0.12 0.08 0.04 -0.55 8.28 7.74 2o7pA1 THR 21 HA -0.08 0.08 0.30 -0.75 4.39 3.93 2o7pA1 THR 21 HB -0.11 0.50 0.17 -0.04 4.32 4.83 2o7pA1 THR 21 HG23 -0.31 0.04 -0.22 -0.04 1.22 0.69 2o7pA1 HIS 22 H -0.21 0.04 -0.06 -0.55 8.41 7.63 2o7pA1 HIS 22 HA -0.18 0.03 0.33 -0.75 4.63 4.06 2o7pA1 HIS 22 HB2 -0.39 0.06 0.01 -0.04 3.26 2.90 2o7pA1 HIS 22 HB3 -1.38 -0.01 0.06 -0.04 3.20 1.82 2o7pA1 HIS 22 HD2 -0.08 0.09 -0.18 -0.04 6.97 6.75 2o7pA1 HIS 22 HE1 0.02 -0.14 0.05 -0.04 7.75 7.64 2o7pA1 PRO 23 HA 0.02 -0.05 0.37 -0.51 4.44 4.27 2o7pA1 PRO 23 HB2 0.22 -0.00 0.18 -0.04 2.28 2.64 2o7pA1 PRO 23 HB3 0.38 0.22 0.24 -0.04 2.02 2.82 2o7pA1 PRO 23 HG2 0.13 -0.00 -0.02 -0.04 2.03 2.09 2o7pA1 PRO 23 HG3 0.19 0.02 0.10 -0.04 2.03 2.29 2o7pA1 PRO 23 HD2 0.10 0.06 0.34 -0.04 3.68 4.15 2o7pA1 PRO 23 HD3 0.18 0.07 0.24 -0.04 3.65 4.09 2o7pA1 ASN 24 H -0.03 0.49 0.12 -0.55 8.53 8.57 2o7pA1 ASN 24 HA -0.17 0.07 0.60 -0.75 4.76 4.51 2o7pA1 ASN 24 HB2 0.12 0.25 0.09 -0.04 2.88 3.30 2o7pA1 ASN 24 HB3 -0.09 -0.02 0.03 -0.04 2.79 2.67 2o7pA1 ASN 24 HD21 0.08 -0.05 -0.02 -0.04 7.03 7.01 2o7pA1 ASN 24 HD22 -0.00 0.04 -0.03 -0.04 7.74 7.71 2o7pA1 PRO 25 HA -0.47 0.04 0.49 -0.51 4.44 3.98 2o7pA1 PRO 25 HB2 -0.35 0.15 -0.05 -0.04 2.28 1.99 2o7pA1 PRO 25 HB3 -0.94 0.02 0.09 -0.04 2.02 1.15 2o7pA1 PRO 25 HG2 -0.45 -0.07 -0.03 -0.04 2.03 1.44 2o7pA1 PRO 25 HG3 -0.65 0.02 0.03 -0.04 2.03 1.39 2o7pA1 PRO 25 HD2 -0.46 0.04 0.21 -0.04 3.68 3.43 2o7pA1 PRO 25 HD3 -1.48 0.20 0.17 -0.04 3.65 2.49 2o7pA1 ASN 26 H -0.18 0.12 0.13 -0.55 8.53 8.06 2o7pA1 ASN 26 HA -0.04 0.18 0.82 -0.75 4.76 4.96 2o7pA1 ASN 26 HB2 -0.09 -0.03 0.04 -0.04 2.88 2.75 2o7pA1 ASN 26 HB3 -0.07 0.15 0.05 -0.04 2.79 2.88 2o7pA1 ASN 26 HD21 -0.19 0.00 0.09 -0.04 7.03 6.89 2o7pA1 ASN 26 HD22 -0.13 0.19 0.15 -0.04 7.74 7.91 2o7pA1 VAL 27 H 0.03 0.28 0.23 -0.55 8.24 8.23 2o7pA1 VAL 27 HA -0.04 0.13 0.77 -0.75 4.13 4.24 2o7pA1 VAL 27 HB -0.08 -0.11 0.06 -0.04 2.12 1.95 2o7pA1 VAL 27 HG13 -0.04 -0.04 -0.07 -0.04 0.97 0.78 2o7pA1 VAL 27 HG23 -0.19 0.03 -0.37 -0.04 0.95 0.38 2o7pA1 GLY 28 H 0.01 0.15 0.24 -0.55 8.43 8.29 2o7pA1 GLY 28 HA2 0.12 0.23 1.06 -0.51 4.01 4.91 2o7pA1 GLY 28 HA3 0.05 0.28 0.49 -0.51 4.01 4.32 2o7pA1 CYS 29 H 0.10 0.65 0.37 -0.55 8.50 9.08 2o7pA1 CYS 29 HA 0.08 0.32 1.02 -0.75 4.58 5.24 2o7pA1 CYS 29 HB2 0.06 -0.15 -0.31 -0.04 2.97 2.52 2o7pA1 CYS 29 HB3 0.08 -0.01 -0.18 -0.04 2.97 2.82 2o7pA1 VAL 30 H 0.12 0.72 0.36 -0.55 8.24 8.89 2o7pA1 VAL 30 HA 0.07 0.21 1.07 -0.75 4.13 4.72 2o7pA1 VAL 30 HB 0.13 -0.01 0.19 -0.04 2.12 2.39 2o7pA1 VAL 30 HG13 0.07 -0.01 -0.13 -0.04 0.97 0.85 2o7pA1 VAL 30 HG23 0.05 -0.02 -0.16 -0.04 0.95 0.78 2o7pA1 ILE 31 H 0.04 0.64 0.34 -0.55 8.25 8.72 2o7pA1 ILE 31 HA 0.03 0.23 1.27 -0.75 4.18 4.95 2o7pA1 ILE 31 HB 0.02 -0.08 0.22 -0.04 1.89 2.01 2o7pA1 ILE 31 HG12 0.01 -0.01 -0.13 -0.04 1.49 1.33 2o7pA1 ILE 31 HG13 0.04 -0.15 -0.35 -0.04 1.21 0.71 2o7pA1 ILE 31 HG23 -0.01 0.04 -0.12 -0.04 0.93 0.80 2o7pA1 ILE 31 HD13 0.02 0.04 -0.30 -0.04 0.88 0.60 2o7pA1 VAL 32 H -0.01 0.47 0.26 -0.55 8.24 8.41 2o7pA1 VAL 32 HA -0.11 0.12 0.75 -0.75 4.13 4.14 2o7pA1 VAL 32 HB -0.11 -0.01 -0.00 -0.04 2.12 1.96 2o7pA1 VAL 32 HG13 -0.22 -0.05 -0.27 -0.04 0.97 0.39 2o7pA1 VAL 32 HG23 -0.95 -0.00 -0.21 -0.04 0.95 -0.25 2o7pA1 LYS 33 H -0.03 0.74 0.31 -0.55 8.42 8.89 2o7pA1 LYS 33 HA -0.01 0.07 0.69 -0.75 4.32 4.32 2o7pA1 LYS 33 HB2 -0.01 0.14 -0.00 -0.04 1.87 1.96 2o7pA1 LYS 33 HB3 0.00 -0.04 0.09 -0.04 1.79 1.80 2o7pA1 LYS 33 HG2 -0.01 -0.06 0.15 -0.04 1.46 1.50 2o7pA1 LYS 33 HG3 -0.00 0.33 0.11 -0.04 1.46 1.85 2o7pA1 LYS 33 HD2 0.00 0.00 -0.03 -0.04 1.69 1.63 2o7pA1 LYS 33 HD3 0.00 -0.03 -0.19 -0.04 1.68 1.43 2o7pA1 LYS 33 HE2 0.00 -0.04 0.02 -0.04 2.99 2.93 2o7pA1 LYS 33 HE3 0.00 -0.03 0.06 -0.04 2.99 2.98 2o7pA1 ASP 34 H 0.01 0.18 0.06 -0.55 8.40 8.10 2o7pA1 ASP 34 HA 0.03 0.00 0.30 -0.75 4.63 4.20 2o7pA1 ASP 34 HB2 0.01 0.09 -0.19 -0.04 2.71 2.58 2o7pA1 ASP 34 HB3 0.02 0.01 0.21 -0.04 2.70 2.89 2o7pA1 GLY 35 H 0.03 0.03 -0.38 -0.55 8.43 7.57 2o7pA1 GLY 35 HA2 0.12 -0.03 0.18 -0.51 4.01 3.77 2o7pA1 GLY 35 HA3 0.08 0.05 0.29 -0.51 4.01 3.91 2o7pA1 GLU 36 H 0.01 0.40 -0.28 -0.55 8.60 8.19 2o7pA1 GLU 36 HA 0.08 0.05 0.37 -0.75 4.29 4.04 2o7pA1 GLU 36 HB2 0.04 0.00 0.02 -0.04 2.09 2.11 2o7pA1 GLU 36 HB3 0.04 0.07 0.05 -0.04 1.99 2.11 2o7pA1 GLU 36 HG2 0.02 0.14 -0.13 -0.04 2.34 2.33 2o7pA1 GLU 36 HG3 0.02 -0.00 -0.06 -0.04 2.34 2.25 2o7pA1 ILE 37 H 0.07 0.13 0.07 -0.55 8.25 7.98 2o7pA1 ILE 37 HA -0.03 0.12 0.45 -0.75 4.18 3.98 2o7pA1 ILE 37 HB 0.08 -0.01 0.15 -0.04 1.89 2.06 2o7pA1 ILE 37 HG12 0.03 0.02 -0.11 -0.04 1.49 1.39 2o7pA1 ILE 37 HG13 0.13 -0.10 -0.09 -0.04 1.21 1.11 2o7pA1 ILE 37 HG23 0.05 0.01 -0.15 -0.04 0.93 0.79 2o7pA1 ILE 37 HD13 0.25 0.00 -0.04 -0.04 0.88 1.05 2o7pA1 VAL 38 H -0.00 0.62 0.51 -0.55 8.24 8.81 2o7pA1 VAL 38 HA 0.02 0.12 0.88 -0.75 4.13 4.40 2o7pA1 VAL 38 HB 0.01 0.01 0.11 -0.04 2.12 2.21 2o7pA1 VAL 38 HG13 0.01 0.00 -0.01 -0.04 0.97 0.93 2o7pA1 VAL 38 HG23 -0.00 0.06 -0.12 -0.04 0.95 0.85 2o7pA1 GLY 39 H 0.02 0.17 0.18 -0.55 8.43 8.25 2o7pA1 GLY 39 HA2 0.03 0.06 0.55 -0.51 4.01 4.14 2o7pA1 GLY 39 HA3 0.03 0.41 0.46 -0.51 4.01 4.40 2o7pA1 GLU 40 H 0.05 0.33 0.19 -0.55 8.60 8.62 2o7pA1 GLU 40 HA 0.07 0.24 1.02 -0.75 4.29 4.87 2o7pA1 GLU 40 HB2 0.06 -0.01 0.01 -0.04 2.09 2.12 2o7pA1 GLU 40 HB3 0.09 0.00 0.03 -0.04 1.99 2.07 2o7pA1 GLU 40 HG2 0.06 0.02 0.07 -0.04 2.34 2.45 2o7pA1 GLU 40 HG3 0.05 -0.04 -0.30 -0.04 2.34 2.01 2o7pA1 GLY 41 H 0.12 0.50 0.35 -0.55 8.43 8.85 2o7pA1 GLY 41 HA2 0.05 0.09 0.47 -0.51 4.01 4.11 2o7pA1 GLY 41 HA3 0.10 0.04 0.35 -0.51 4.01 3.98 2o7pA1 TYR 42 H -0.24 0.34 0.24 -0.55 8.29 8.08 2o7pA1 TYR 42 HA 0.06 0.10 0.75 -0.75 4.56 4.71 2o7pA1 TYR 42 HB2 0.01 0.11 0.03 -0.04 3.06 3.17 2o7pA1 TYR 42 HB3 0.01 -0.08 -0.26 -0.04 2.98 2.62 2o7pA1 TYR 42 HD2 -0.01 0.06 -0.34 -0.04 7.15 6.82 2o7pA1 TYR 42 HE2 -0.03 0.03 -0.17 -0.04 6.85 6.64 2o7pA1 HIS 43 H 0.26 0.32 0.31 -0.55 8.41 8.76 2o7pA1 HIS 43 HA 0.02 0.04 0.45 -0.75 4.63 4.39 2o7pA1 HIS 43 HB2 0.01 -0.18 0.21 -0.04 3.26 3.27 2o7pA1 HIS 43 HB3 -0.00 0.10 0.18 -0.04 3.20 3.44 2o7pA1 HIS 43 HD2 -0.07 0.17 -0.12 -0.04 6.97 6.90 2o7pA1 HIS 43 HE1 0.17 0.15 -0.11 -0.04 7.75 7.91 2o7pA1 GLN 44 H -0.22 0.07 0.19 -0.55 8.47 7.96 2o7pA1 GLN 44 HA 0.02 0.17 0.90 -0.75 4.36 4.70 2o7pA1 GLN 44 HB2 -0.17 -0.06 0.21 -0.04 2.15 2.08 2o7pA1 GLN 44 HB3 -0.07 0.02 0.01 -0.04 2.02 1.93 2o7pA1 GLN 44 HG2 0.00 -0.01 0.01 -0.04 2.40 2.36 2o7pA1 GLN 44 HG3 -0.00 0.05 -0.10 -0.04 2.39 2.29 2o7pA1 GLN 44 HE21 -0.46 -0.03 0.01 -0.04 6.97 6.44 2o7pA1 GLN 44 HE22 -0.45 0.01 -0.05 -0.04 7.69 7.17 2o7pA1 ARG 45 H -0.20 -0.03 0.15 -0.55 8.46 7.82 2o7pA1 ARG 45 HA -0.08 0.50 0.77 -0.75 4.34 4.77 2o7pA1 ARG 45 HB2 -0.08 -0.11 0.06 -0.04 1.90 1.73 2o7pA1 ARG 45 HB3 -0.04 -0.09 0.14 -0.04 1.80 1.76 2o7pA1 ARG 45 HG2 -0.03 0.04 -0.10 -0.04 1.67 1.54 2o7pA1 ARG 45 HG3 -0.03 -0.06 0.01 -0.04 1.67 1.55 2o7pA1 ARG 45 HD2 0.01 -0.00 0.02 -0.04 3.22 3.21 2o7pA1 ARG 45 HD3 0.00 -0.07 0.04 -0.04 3.22 3.15 2o7pA1 ALA 46 H -0.03 0.18 0.20 -0.55 8.40 8.21 2o7pA1 ALA 46 HA 0.02 0.21 0.53 -0.75 4.34 4.35 2o7pA1 ALA 46 HB3 0.05 0.06 0.08 -0.04 1.41 1.55 2o7pA1 GLY 47 H -0.00 0.05 -0.01 -0.55 8.43 7.92 2o7pA1 GLY 47 HA2 0.04 0.16 0.55 -0.51 4.01 4.25 2o7pA1 GLY 47 HA3 0.02 -0.04 0.32 -0.51 4.01 3.80 2o7pA1 GLU 48 H -0.05 0.22 -0.71 -0.55 8.60 7.52 2o7pA1 GLU 48 HA -0.01 0.09 0.46 -0.75 4.29 4.07 2o7pA1 GLU 48 HB2 -0.11 -0.11 -0.02 -0.04 2.09 1.82 2o7pA1 GLU 48 HB3 -0.08 0.08 -0.03 -0.04 1.99 1.92 2o7pA1 GLU 48 HG2 -0.06 -0.07 0.07 -0.04 2.34 2.25 2o7pA1 GLU 48 HG3 0.04 0.07 0.10 -0.04 2.34 2.51 2o7pA1 PRO 49 HA -0.16 0.08 0.46 -0.51 4.44 4.30 2o7pA1 PRO 49 HB2 -0.28 -0.00 -0.02 -0.04 2.28 1.94 2o7pA1 PRO 49 HB3 -0.15 0.02 0.08 -0.04 2.02 1.93 2o7pA1 PRO 49 HG2 -0.43 0.04 0.04 -0.04 2.03 1.63 2o7pA1 PRO 49 HG3 -0.11 0.03 0.06 -0.04 2.03 1.96 2o7pA1 PRO 49 HD2 0.12 0.05 0.19 -0.04 3.68 4.00 2o7pA1 PRO 49 HD3 0.00 0.13 0.19 -0.04 3.65 3.93 2o7pA1 HIS 50 H -0.27 0.05 0.11 -0.55 8.41 7.76 2o7pA1 HIS 50 HA 0.14 0.19 0.20 -0.75 4.63 4.40 2o7pA1 HIS 50 HB2 -0.04 -0.08 0.03 -0.04 3.26 3.14 2o7pA1 HIS 50 HB3 -0.05 -0.09 0.06 -0.04 3.20 3.08 2o7pA1 HIS 50 HD2 -0.07 0.16 -0.05 -0.04 6.97 6.97 2o7pA1 HIS 50 HE1 -0.03 -0.01 -0.00 -0.04 7.75 7.66 2o7pA1 ALA 51 H 0.15 0.19 0.02 -0.55 8.40 8.21 2o7pA1 ALA 51 HA 0.20 0.13 0.26 -0.75 4.34 4.17 2o7pA1 ALA 51 HB3 0.11 0.04 -0.19 -0.04 1.41 1.33 2o7pA1 GLU 52 H 0.06 0.11 -0.17 -0.55 8.60 8.04 2o7pA1 GLU 52 HA 0.04 0.09 0.17 -0.75 4.29 3.83 2o7pA1 GLU 52 HB2 0.04 -0.03 -0.12 -0.04 2.09 1.94 2o7pA1 GLU 52 HB3 0.02 0.09 -0.06 -0.04 1.99 1.99 2o7pA1 GLU 52 HG2 0.00 0.06 -0.05 -0.04 2.34 2.32 2o7pA1 GLU 52 HG3 0.02 -0.02 -0.03 -0.04 2.34 2.26 2o7pA1 VAL 53 H 0.02 0.11 -0.89 -0.55 8.24 6.93 2o7pA1 VAL 53 HA -0.03 0.09 0.40 -0.75 4.13 3.83 2o7pA1 VAL 53 HB -0.20 0.14 -0.06 -0.04 2.12 1.96 2o7pA1 VAL 53 HG13 -0.11 0.01 -0.09 -0.04 0.97 0.74 2o7pA1 VAL 53 HG23 -0.03 -0.04 -0.11 -0.04 0.95 0.73 2o7pA1 HIS 54 H -0.09 0.41 -0.00 -0.55 8.41 8.18 2o7pA1 HIS 54 HA -0.01 0.00 0.45 -0.75 4.63 4.32 2o7pA1 HIS 54 HB2 -0.03 -0.04 0.20 -0.04 3.26 3.35 2o7pA1 HIS 54 HB3 -0.04 0.04 0.09 -0.04 3.20 3.25 2o7pA1 HIS 54 HD2 -0.05 -0.02 -0.09 -0.04 6.97 6.77 2o7pA1 HIS 54 HE1 -0.06 -0.05 0.03 -0.04 7.75 7.63 2o7pA1 ALA 55 H 0.09 0.45 -0.33 -0.55 8.40 8.07 2o7pA1 ALA 55 HA 0.06 0.06 -0.03 -0.75 4.34 3.68 2o7pA1 ALA 55 HB3 0.05 0.01 -0.30 -0.04 1.41 1.13 2o7pA1 LEU 56 H 0.02 0.23 -0.43 -0.55 8.37 7.64 2o7pA1 LEU 56 HA 0.01 0.09 0.43 -0.75 4.35 4.13 2o7pA1 LEU 56 HB2 -0.00 0.06 0.09 -0.04 1.64 1.75 2o7pA1 LEU 56 HB3 -0.01 -0.06 -0.12 -0.04 1.64 1.42 2o7pA1 LEU 56 HG -0.00 -0.02 -0.07 -0.04 1.64 1.51 2o7pA1 LEU 56 HD13 0.00 0.02 -0.14 -0.04 0.93 0.77 2o7pA1 LEU 56 HD23 -0.00 0.01 -0.20 -0.04 0.89 0.66 2o7pA1 ARG 57 H 0.00 0.51 -0.13 -0.55 8.46 8.28 2o7pA1 ARG 57 HA -0.00 -0.03 0.36 -0.75 4.34 3.91 2o7pA1 ARG 57 HB2 -0.03 -0.01 0.08 -0.04 1.90 1.90 2o7pA1 ARG 57 HB3 0.02 0.11 0.18 -0.04 1.80 2.07 2o7pA1 ARG 57 HG2 0.01 -0.02 0.11 -0.04 1.67 1.72 2o7pA1 ARG 57 HG3 -0.01 -0.07 0.03 -0.04 1.67 1.58 2o7pA1 ARG 57 HD2 0.05 0.08 0.06 -0.04 3.22 3.38 2o7pA1 ARG 57 HD3 0.02 -0.06 0.04 -0.04 3.22 3.18 2o7pA1 ALA 59 HA 0.01 0.17 0.27 -0.75 4.34 4.04 2o7pA1 ALA 59 HB3 0.01 -0.06 -0.12 -0.04 1.41 1.20 2o7pA1 GLY 60 H 0.01 0.56 -0.37 -0.55 8.43 8.08 2o7pA1 GLY 60 HA2 0.00 0.06 0.29 -0.51 4.01 3.85 2o7pA1 GLY 60 HA3 0.00 -0.08 0.39 -0.51 4.01 3.81 2o7pA1 GLU 61 H 0.00 0.10 0.20 -0.55 8.60 8.35 2o7pA1 GLU 61 HA -0.00 0.09 0.35 -0.75 4.29 3.98 2o7pA1 GLU 61 HB2 0.00 -0.02 0.18 -0.04 2.09 2.21 2o7pA1 GLU 61 HB3 0.00 0.00 0.12 -0.04 1.99 2.08 2o7pA1 GLU 61 HG2 0.00 -0.04 0.04 -0.04 2.34 2.29 2o7pA1 GLU 61 HG3 -0.00 0.01 0.02 -0.04 2.34 2.33 2o7pA1 LYS 62 H 0.00 0.34 -0.48 -0.55 8.42 7.74 2o7pA1 LYS 62 HA 0.00 -0.06 0.37 -0.75 4.32 3.88 2o7pA1 LYS 62 HB2 0.01 0.46 0.11 -0.04 1.87 2.40 2o7pA1 LYS 62 HB3 0.00 -0.07 0.08 -0.04 1.79 1.77 2o7pA1 LYS 62 HG2 0.00 -0.08 0.04 -0.04 1.46 1.39 2o7pA1 LYS 62 HG3 0.00 -0.10 0.01 -0.04 1.46 1.33 2o7pA1 LYS 62 HD2 0.01 -0.00 0.04 -0.04 1.69 1.69 2o7pA1 LYS 62 HD3 0.01 -0.10 0.02 -0.04 1.68 1.57 2o7pA1 LYS 62 HE2 0.01 -0.14 0.03 -0.04 2.99 2.85 2o7pA1 LYS 62 HE3 0.01 0.45 0.11 -0.04 2.99 3.51 2o7pA1 ALA 63 H -0.00 0.71 -0.40 -0.55 8.40 8.17 2o7pA1 ALA 63 HA -0.01 0.06 0.39 -0.75 4.34 4.03 2o7pA1 ALA 63 HB3 -0.00 -0.00 -0.10 -0.04 1.41 1.26 2o7pA1 LYS 64 H -0.00 0.30 -0.27 -0.55 8.42 7.90 2o7pA1 LYS 64 HA -0.01 0.14 0.15 -0.75 4.32 3.85 2o7pA1 LYS 64 HB2 -0.00 0.05 0.18 -0.04 1.87 2.06 2o7pA1 LYS 64 HB3 -0.01 -0.10 -0.02 -0.04 1.79 1.62 2o7pA1 LYS 64 HG2 -0.01 0.23 0.18 -0.04 1.46 1.82 2o7pA1 LYS 64 HG3 -0.00 0.00 0.16 -0.04 1.46 1.58 2o7pA1 LYS 64 HD2 -0.01 -0.03 0.02 -0.04 1.69 1.63 2o7pA1 LYS 64 HD3 -0.01 -0.02 0.04 -0.04 1.68 1.65 2o7pA1 LYS 64 HE2 -0.00 -0.02 0.06 -0.04 2.99 2.99 2o7pA1 LYS 64 HE3 -0.00 -0.02 0.04 -0.04 2.99 2.97 2o7pA1 GLY 65 H -0.00 0.08 -0.15 -0.55 8.43 7.81 2o7pA1 GLY 65 HA2 -0.00 -0.06 0.34 -0.51 4.01 3.77 2o7pA1 GLY 65 HA3 -0.00 -0.09 0.36 -0.51 4.01 3.76 2o7pA1 ALA 66 H -0.01 0.37 0.00 -0.55 8.40 8.21 2o7pA1 ALA 66 HA -0.02 0.13 0.97 -0.75 4.34 4.66 2o7pA1 ALA 66 HB3 -0.01 -0.08 -0.06 -0.04 1.41 1.22 2o7pA1 THR 67 H -0.05 -0.09 0.17 -0.55 8.28 7.76 2o7pA1 THR 67 HA -0.13 0.43 0.55 -0.75 4.39 4.48 2o7pA1 THR 67 HB -0.06 -0.09 0.03 -0.04 4.32 4.16 2o7pA1 THR 67 HG23 -0.57 -0.02 -0.20 -0.04 1.22 0.39 2o7pA1 ALA 68 H -0.21 0.34 0.22 -0.55 8.40 8.21 2o7pA1 ALA 68 HA -0.04 0.20 0.96 -0.75 4.34 4.70 2o7pA1 ALA 68 HB3 -0.05 0.00 0.04 -0.04 1.41 1.36 2o7pA1 TYR 69 H 0.17 0.74 0.34 -0.55 8.29 8.98 2o7pA1 TYR 69 HA 0.02 0.33 1.07 -0.75 4.56 5.24 2o7pA1 TYR 69 HB2 0.04 -0.03 0.29 -0.04 3.06 3.32 2o7pA1 TYR 69 HB3 0.05 0.04 0.05 -0.04 2.98 3.07 2o7pA1 TYR 69 HD2 0.01 0.12 -0.00 -0.04 7.15 7.23 2o7pA1 TYR 69 HE2 -0.02 -0.03 -0.07 -0.04 6.85 6.69 2o7pA1 VAL 70 H 0.05 0.46 0.19 -0.55 8.24 8.40 2o7pA1 VAL 70 HA 0.06 0.31 1.13 -0.75 4.13 4.88 2o7pA1 VAL 70 HB 0.01 -0.06 -0.03 -0.04 2.12 2.00 2o7pA1 VAL 70 HG13 0.02 0.00 -0.07 -0.04 0.97 0.88 2o7pA1 VAL 70 HG23 0.01 -0.01 -0.12 -0.04 0.95 0.79 2o7pA1 THR 71 H 0.03 0.36 0.29 -0.55 8.28 8.40 2o7pA1 THR 71 HA 0.03 0.10 0.43 -0.75 4.39 4.20 2o7pA1 THR 71 HB 0.01 -0.01 0.35 -0.04 4.32 4.64 2o7pA1 THR 71 HG23 -0.02 0.02 -0.05 -0.04 1.22 1.14 2o7pA1 LEU 72 H -0.00 0.15 -0.07 -0.55 8.37 7.91 2o7pA1 LEU 72 HA 0.01 0.16 0.72 -0.75 4.35 4.49 2o7pA1 LEU 72 HB2 -0.01 0.12 -0.22 -0.04 1.64 1.49 2o7pA1 LEU 72 HB3 -0.04 -0.10 0.00 -0.04 1.64 1.45 2o7pA1 LEU 72 HG -0.02 -0.02 -0.19 -0.04 1.64 1.36 2o7pA1 LEU 72 HD13 0.03 -0.03 -0.09 -0.04 0.93 0.81 2o7pA1 LEU 72 HD23 0.00 0.02 -0.06 -0.04 0.89 0.81 2o7pA1 GLU 73 H 0.01 0.24 -0.02 -0.55 8.60 8.28 2o7pA1 GLU 73 HA 0.00 0.05 0.18 -0.75 4.29 3.77 2o7pA1 PRO 74 HA -0.04 0.04 0.47 -0.51 4.44 4.41 2o7pA1 PRO 74 HB2 -0.01 -0.00 -0.03 -0.04 2.28 2.20 2o7pA1 PRO 74 HB3 -0.01 0.02 0.04 -0.04 2.02 2.03 2o7pA1 PRO 74 HG2 -0.01 0.01 0.01 -0.04 2.03 2.01 2o7pA1 PRO 74 HG3 -0.01 0.08 -0.02 -0.04 2.03 2.04 2o7pA1 PRO 74 HD2 -0.00 0.03 0.03 -0.04 3.68 3.70 2o7pA1 PRO 74 HD3 -0.00 0.13 -0.00 -0.04 3.65 3.73 2o7pA1 CYS 75 H -0.05 0.23 0.16 -0.55 8.50 8.30 2o7pA1 CYS 75 HA -0.01 -0.04 0.14 -0.75 4.58 3.92 2o7pA1 CYS 75 HB2 -0.00 0.04 0.02 -0.04 2.97 2.99 2o7pA1 CYS 75 HB3 0.00 -0.01 0.08 -0.04 2.97 3.01 2o7pA1 PRO 82 HA -0.01 0.05 0.24 -0.51 4.44 4.21 2o7pA1 PRO 82 HB2 0.02 -0.18 -0.06 -0.04 2.28 2.02 2o7pA1 PRO 82 HB3 -0.03 0.07 -0.02 -0.04 2.02 1.99 2o7pA1 PRO 82 HG2 0.10 -0.14 0.25 -0.04 2.03 2.20 2o7pA1 PRO 82 HG3 0.09 0.10 0.05 -0.04 2.03 2.24 2o7pA1 PRO 82 HD2 0.05 -0.02 0.85 -0.04 3.68 4.52 2o7pA1 PRO 82 HD3 0.05 0.10 0.04 -0.04 3.65 3.81 2o7pA1 PRO 83 HA 0.01 0.10 0.37 -0.51 4.44 4.42 2o7pA1 PRO 83 HB2 0.00 -0.17 0.07 -0.04 2.28 2.14 2o7pA1 PRO 83 HB3 0.01 0.10 0.06 -0.04 2.02 2.15 2o7pA1 PRO 83 HG2 -0.00 -0.00 0.12 -0.04 2.03 2.11 2o7pA1 PRO 83 HG3 -0.00 0.09 0.06 -0.04 2.03 2.13 2o7pA1 PRO 83 HD2 -0.01 0.04 0.18 -0.04 3.68 3.86 2o7pA1 PRO 83 HD3 -0.01 0.25 0.47 -0.04 3.65 4.32 2o7pA1 CYS 84 H 0.03 0.25 0.12 -0.55 8.50 8.36 2o7pA1 CYS 84 HA 0.02 0.11 0.25 -0.75 4.58 4.21 2o7pA1 CYS 84 HB2 0.12 0.06 0.13 -0.04 2.97 3.23 2o7pA1 CYS 84 HB3 0.05 0.02 0.02 -0.04 2.97 3.01 2o7pA1 CYS 85 H 0.01 0.06 -0.24 -0.55 8.50 7.79 2o7pA1 CYS 85 HA 0.00 0.17 0.63 -0.75 4.58 4.62 2o7pA1 CYS 85 HB2 0.01 -0.06 -0.01 -0.04 2.97 2.86 2o7pA1 CYS 85 HB3 -0.00 0.07 -0.10 -0.04 2.97 2.89 2o7pA1 ASP 86 H 0.00 0.08 -0.27 -0.55 8.40 7.66 2o7pA1 ASP 86 HA -0.01 0.11 0.52 -0.75 4.63 4.49 2o7pA1 ASP 86 HB2 -0.00 -0.08 0.09 -0.04 2.71 2.68 2o7pA1 ASP 86 HB3 -0.00 0.13 0.07 -0.04 2.70 2.85 2o7pA1 ALA 87 H -0.00 0.36 -0.17 -0.55 8.40 8.05 2o7pA1 ALA 87 HA -0.01 0.04 0.27 -0.75 4.34 3.88 2o7pA1 ALA 87 HB3 -0.01 0.07 -0.02 -0.04 1.41 1.41 2o7pA1 LEU 88 H -0.00 0.23 -0.39 -0.55 8.37 7.66 2o7pA1 LEU 88 HA -0.01 0.06 0.29 -0.75 4.35 3.93 2o7pA1 LEU 88 HB2 -0.01 0.02 0.07 -0.04 1.64 1.68 2o7pA1 LEU 88 HB3 -0.01 0.09 -0.05 -0.04 1.64 1.63 2o7pA1 LEU 88 HG -0.02 0.06 -0.10 -0.04 1.64 1.54 2o7pA1 LEU 88 HD13 -0.01 -0.01 -0.07 -0.04 0.93 0.81 2o7pA1 LEU 88 HD23 -0.01 -0.02 -0.07 -0.04 0.89 0.75 2o7pA1 ILE 89 H -0.01 0.35 -0.26 -0.55 8.25 7.78 2o7pA1 ILE 89 HA -0.02 0.07 0.44 -0.75 4.18 3.92 2o7pA1 ILE 89 HB -0.01 0.03 0.15 -0.04 1.89 2.01 2o7pA1 ILE 89 HG12 -0.02 -0.01 0.01 -0.04 1.49 1.43 2o7pA1 ILE 89 HG13 -0.01 0.23 0.11 -0.04 1.21 1.50 2o7pA1 ILE 89 HG23 -0.02 -0.01 -0.09 -0.04 0.93 0.78 2o7pA1 ILE 89 HD13 -0.02 -0.06 -0.08 -0.04 0.88 0.69 2o7pA1 ALA 90 H -0.01 0.65 -0.17 -0.55 8.40 8.33 2o7pA1 ALA 90 HA -0.01 -0.04 0.24 -0.75 4.34 3.78 2o7pA1 ALA 90 HB3 -0.01 -0.01 0.01 -0.04 1.41 1.36 2o7pA1 ALA 91 H -0.01 0.37 -0.19 -0.55 8.40 8.02 2o7pA1 ALA 91 HA -0.01 -0.04 0.31 -0.75 4.34 3.85 2o7pA1 ALA 91 HB3 -0.01 -0.00 -0.04 -0.04 1.41 1.32 2o7pA1 GLY 92 H -0.01 0.24 -0.24 -0.55 8.43 7.87 2o7pA1 GLY 92 HA2 -0.01 0.12 0.14 -0.51 4.01 3.75 2o7pA1 GLY 92 HA3 -0.01 0.03 0.43 -0.51 4.01 3.95 2o7pA1 VAL 93 H -0.02 0.05 -0.02 -0.55 8.24 7.71 2o7pA1 VAL 93 HA -0.02 0.32 0.08 -0.75 4.13 3.75 2o7pA1 VAL 93 HB -0.03 0.19 -0.18 -0.04 2.12 2.06 2o7pA1 VAL 93 HG13 -0.02 -0.00 -0.09 -0.04 0.97 0.82 2o7pA1 VAL 93 HG23 -0.04 -0.04 -0.39 -0.04 0.95 0.45 2o7pA1 ALA 94 H -0.02 0.38 0.16 -0.55 8.40 8.36 2o7pA1 ALA 94 HA -0.02 0.02 0.77 -0.75 4.34 4.35 2o7pA1 ALA 94 HB3 -0.02 -0.02 0.26 -0.04 1.41 1.59 2o7pA1 ARG 95 H -0.03 -0.22 0.23 -0.55 8.46 7.89 2o7pA1 ARG 95 HA -0.05 0.46 0.61 -0.75 4.34 4.61 2o7pA1 ARG 95 HB2 -0.04 -0.07 -0.03 -0.04 1.90 1.73 2o7pA1 ARG 95 HB3 -0.07 -0.03 -0.05 -0.04 1.80 1.61 2o7pA1 ARG 95 HG2 -0.14 -0.08 -0.20 -0.04 1.67 1.21 2o7pA1 ARG 95 HG3 -0.07 0.17 -0.11 -0.04 1.67 1.61 2o7pA1 ARG 95 HD2 -0.02 -0.01 -0.05 -0.04 3.22 3.09 2o7pA1 ARG 95 HD3 -0.03 -0.06 -0.06 -0.04 3.22 3.03 2o7pA1 VAL 96 H -0.06 0.65 0.37 -0.55 8.24 8.65 2o7pA1 VAL 96 HA -0.16 0.09 0.48 -0.75 4.13 3.78 2o7pA1 VAL 96 HB -0.07 0.05 0.17 -0.04 2.12 2.23 2o7pA1 VAL 96 HG13 -0.04 0.04 -0.21 -0.04 0.97 0.72 2o7pA1 VAL 96 HG23 -0.03 -0.04 -0.21 -0.04 0.95 0.63 2o7pA1 VAL 97 H -0.20 0.74 0.31 -0.55 8.24 8.54 2o7pA1 VAL 97 HA -0.02 0.16 0.84 -0.75 4.13 4.34 2o7pA1 VAL 97 HB -0.24 -0.02 0.17 -0.04 2.12 1.99 2o7pA1 VAL 97 HG13 0.13 0.00 -0.16 -0.04 0.97 0.91 2o7pA1 VAL 97 HG23 -0.17 -0.02 -0.21 -0.04 0.95 0.51 2o7pA1 ALA 98 H 0.05 0.66 0.34 -0.55 8.40 8.90 2o7pA1 ALA 98 HA 0.05 0.33 0.88 -0.75 4.34 4.85 2o7pA1 ALA 98 HB3 0.04 -0.03 -0.13 -0.04 1.41 1.25 2o7pA1 SER 99 H 0.05 0.34 -0.03 -0.55 8.46 8.28 2o7pA1 SER 99 HA 0.06 0.12 0.14 -0.75 4.49 4.06 2o7pA1 SER 99 HB2 0.05 -0.02 0.08 -0.04 3.95 4.01 2o7pA1 SER 99 HB3 0.03 0.38 0.24 -0.04 3.93 4.54 2o7pA1 GLN 101 HA -0.03 -0.23 0.21 -0.75 4.36 3.55 2o7pA1 GLN 101 HB2 -0.10 0.04 0.03 -0.04 2.15 2.07 2o7pA1 GLN 101 HB3 -0.21 -0.10 0.03 -0.04 2.02 1.70 2o7pA1 GLN 101 HG2 -0.05 -0.06 0.10 -0.04 2.40 2.35 2o7pA1 GLN 101 HG3 -0.04 0.13 -0.05 -0.04 2.39 2.38 2o7pA1 GLN 101 HE21 -0.07 -0.03 -0.03 -0.04 6.97 6.80 2o7pA1 GLN 101 HE22 -0.04 0.11 -0.05 -0.04 7.69 7.66 2o7pA1 ASP 102 H -0.03 -0.07 0.05 -0.55 8.40 7.81 2o7pA1 ASP 102 HA 0.02 0.04 0.29 -0.75 4.63 4.23 2o7pA1 ASP 102 HB2 -0.00 -0.18 0.06 -0.04 2.71 2.55 2o7pA1 ASP 102 HB3 -0.01 0.44 0.13 -0.04 2.70 3.22 2o7pA1 PRO 103 HA -0.01 0.10 0.43 -0.51 4.44 4.45 2o7pA1 PRO 103 HB2 -0.08 0.19 0.04 -0.04 2.28 2.38 2o7pA1 PRO 103 HB3 -0.03 0.02 0.16 -0.04 2.02 2.13 2o7pA1 PRO 103 HG2 -0.03 -0.08 0.12 -0.04 2.03 2.00 2o7pA1 PRO 103 HG3 0.02 0.07 0.08 -0.04 2.03 2.16 2o7pA1 PRO 103 HD2 0.05 -0.03 0.22 -0.04 3.68 3.88 2o7pA1 PRO 103 HD3 0.07 0.14 0.18 -0.04 3.65 3.99 2o7pA1 ASN 104 H -0.02 -0.03 -0.10 -0.55 8.53 7.84 2o7pA1 ASN 104 HA -0.02 0.53 0.67 -0.75 4.76 5.19 2o7pA1 ASN 104 HB2 -0.02 0.08 -0.06 -0.04 2.88 2.83 2o7pA1 ASN 104 HB3 -0.04 0.06 -0.07 -0.04 2.79 2.70 2o7pA1 ASN 104 HD21 0.00 -0.08 0.02 -0.04 7.03 6.93 2o7pA1 ASN 104 HD22 -0.01 0.07 0.01 -0.04 7.74 7.77 2o7pA1 GLN 106 HA -0.02 -0.06 0.30 -0.75 4.36 3.83 2o7pA1 VAL 107 H -0.01 0.08 0.22 -0.55 8.24 7.97 2o7pA1 VAL 107 HA -0.02 0.14 0.74 -0.75 4.13 4.24 2o7pA1 VAL 107 HB -0.01 -0.00 0.07 -0.04 2.12 2.13 2o7pA1 VAL 107 HG13 -0.02 -0.03 0.05 -0.04 0.97 0.93 2o7pA1 VAL 107 HG23 -0.01 0.01 0.02 -0.04 0.95 0.93 2o7pA1 ALA 108 H -0.01 0.45 0.01 -0.55 8.40 8.30 2o7pA1 ALA 108 HA -0.01 -0.07 0.67 -0.75 4.34 4.19 2o7pA1 ALA 108 HB3 0.00 -0.01 0.14 -0.04 1.41 1.49 2o7pA1 GLY 109 H -0.02 0.40 0.01 -0.55 8.43 8.27 2o7pA1 GLY 109 HA2 -0.04 0.06 0.45 -0.51 4.01 3.97 2o7pA1 GLY 109 HA3 -0.05 0.20 0.19 -0.51 4.01 3.84 2o7pA1 ARG 110 H -0.01 0.12 0.12 -0.55 8.46 8.14 2o7pA1 ARG 110 HA 0.00 0.17 0.48 -0.75 4.34 4.23 2o7pA1 GLY 111 H 0.01 0.12 -0.13 -0.55 8.43 7.88 2o7pA1 GLY 111 HA2 0.02 0.05 0.32 -0.51 4.01 3.89 2o7pA1 GLY 111 HA3 0.01 0.13 0.12 -0.51 4.01 3.76 2o7pA1 LEU 112 H 0.01 0.18 -0.46 -0.55 8.37 7.56 2o7pA1 LEU 112 HA 0.02 0.09 0.39 -0.75 4.35 4.10 2o7pA1 LEU 112 HB2 0.01 0.09 -0.00 -0.04 1.64 1.69 2o7pA1 LEU 112 HB3 0.04 0.01 -0.07 -0.04 1.64 1.58 2o7pA1 LEU 112 HG -0.00 -0.08 -0.11 -0.04 1.64 1.40 2o7pA1 LEU 112 HD13 -0.05 0.03 -0.10 -0.04 0.93 0.77 2o7pA1 LEU 112 HD23 0.03 0.00 -0.07 -0.04 0.89 0.81 2o7pA1 TYR 113 H 0.15 0.50 -0.08 -0.55 8.29 8.30 2o7pA1 TYR 113 HA -0.01 0.05 0.43 -0.75 4.56 4.27 2o7pA1 TYR 113 HB2 -0.01 -0.01 0.14 -0.04 3.06 3.14 2o7pA1 TYR 113 HB3 -0.01 0.06 0.13 -0.04 2.98 3.12 2o7pA1 TYR 113 HD2 -0.00 -0.00 -0.05 -0.04 7.15 7.06 2o7pA1 TYR 113 HE2 -0.00 -0.00 -0.03 -0.04 6.85 6.77 2o7pA1 ARG 114 H 0.09 0.31 -0.17 -0.55 8.46 8.14 2o7pA1 ARG 114 HA -0.05 0.02 0.33 -0.75 4.34 3.89 2o7pA1 ARG 114 HB2 0.04 -0.05 0.01 -0.04 1.90 1.86 2o7pA1 ARG 114 HB3 0.01 0.17 0.01 -0.04 1.80 1.95 2o7pA1 ARG 114 HG2 -0.01 0.02 -0.14 -0.04 1.67 1.50 2o7pA1 ARG 114 HG3 -0.00 -0.01 -0.00 -0.04 1.67 1.62 2o7pA1 ARG 114 HD2 0.02 -0.01 -0.05 -0.04 3.22 3.14 2o7pA1 ARG 114 HD3 0.01 -0.07 -0.08 -0.04 3.22 3.04 2o7pA1 LEU 115 H -0.01 0.26 -0.41 -0.55 8.37 7.66 2o7pA1 LEU 115 HA -0.04 0.06 0.47 -0.75 4.35 4.09 2o7pA1 LEU 115 HB2 -0.01 0.10 0.09 -0.04 1.64 1.78 2o7pA1 LEU 115 HB3 -0.02 -0.00 -0.11 -0.04 1.64 1.46 2o7pA1 LEU 115 HG -0.01 0.14 0.02 -0.04 1.64 1.76 2o7pA1 LEU 115 HD13 -0.01 -0.02 -0.08 -0.04 0.93 0.78 2o7pA1 LEU 115 HD23 -0.02 -0.01 -0.09 -0.04 0.89 0.73 2o7pA1 GLN 116 H -0.04 0.67 0.05 -0.55 8.47 8.59 2o7pA1 GLN 116 HA -0.05 0.27 0.34 -0.75 4.36 4.17 2o7pA1 GLN 116 HB2 -0.02 0.06 0.17 -0.04 2.15 2.32 2o7pA1 GLN 116 HB3 -0.19 0.02 0.07 -0.04 2.02 1.88 2o7pA1 GLN 116 HG2 -0.04 -0.03 -0.00 -0.04 2.40 2.29 2o7pA1 GLN 116 HG3 -0.01 0.06 0.10 -0.04 2.39 2.50 2o7pA1 GLN 116 HE21 0.07 -0.03 0.00 -0.04 6.97 6.97 2o7pA1 GLN 116 HE22 0.03 -0.00 0.03 -0.04 7.69 7.70 2o7pA1 GLN 117 H -0.21 0.49 -0.51 -0.55 8.47 7.69 2o7pA1 GLN 117 HA -0.19 -0.04 0.33 -0.75 4.36 3.70 2o7pA1 GLN 117 HB2 -0.27 0.15 0.08 -0.04 2.15 2.07 2o7pA1 GLN 117 HB3 -0.12 0.10 -0.02 -0.04 2.02 1.94 2o7pA1 GLN 117 HG2 -0.12 -0.06 -0.02 -0.04 2.40 2.16 2o7pA1 GLN 117 HG3 -0.12 -0.03 0.03 -0.04 2.39 2.23 2o7pA1 GLN 117 HE21 -0.13 -0.04 -0.02 -0.04 6.97 6.74 2o7pA1 GLN 117 HE22 -0.10 -0.01 0.01 -0.04 7.69 7.55 2o7pA1 ALA 118 H -0.07 0.50 -0.17 -0.55 8.40 8.12 2o7pA1 ALA 118 HA -0.04 0.09 0.74 -0.75 4.34 4.38 2o7pA1 ALA 118 HB3 -0.03 -0.01 0.14 -0.04 1.41 1.46 2o7pA1 GLY 119 H -0.06 0.48 -0.49 -0.55 8.43 7.83 2o7pA1 GLY 119 HA2 -0.03 -0.03 0.29 -0.51 4.01 3.72 2o7pA1 GLY 119 HA3 -0.03 0.08 0.46 -0.51 4.01 4.01 2o7pA1 ILE 120 H -0.03 0.17 -0.56 -0.55 8.25 7.27 2o7pA1 ILE 120 HA -0.03 -0.08 0.44 -0.75 4.18 3.76 2o7pA1 ILE 120 HB -0.03 -0.05 -0.28 -0.04 1.89 1.49 2o7pA1 ILE 120 HG12 -0.03 0.42 -0.01 -0.04 1.49 1.83 2o7pA1 ILE 120 HG13 -0.03 0.03 -0.13 -0.04 1.21 1.03 2o7pA1 ILE 120 HG23 -0.03 0.01 -0.29 -0.04 0.93 0.57 2o7pA1 ILE 120 HD13 -0.03 -0.04 -0.10 -0.04 0.88 0.68 2o7pA1 ASP 121 H -0.02 -0.19 0.31 -0.55 8.40 7.95 2o7pA1 ASP 121 HA -0.01 0.17 0.87 -0.75 4.63 4.91 2o7pA1 ASP 121 HB2 -0.01 0.07 0.17 -0.04 2.71 2.90 2o7pA1 ASP 121 HB3 -0.02 -0.10 0.24 -0.04 2.70 2.78 2o7pA1 VAL 122 H 0.00 0.20 0.21 -0.55 8.24 8.10 2o7pA1 VAL 122 HA -0.01 0.44 1.12 -0.75 4.13 4.92 2o7pA1 VAL 122 HB 0.03 -0.05 0.08 -0.04 2.12 2.14 2o7pA1 VAL 122 HG13 -0.00 0.02 -0.25 -0.04 0.97 0.69 2o7pA1 VAL 122 HG23 0.04 -0.00 -0.09 -0.04 0.95 0.86 2o7pA1 SER 123 H 0.03 0.41 0.34 -0.55 8.46 8.70 2o7pA1 SER 123 HA 0.06 0.04 0.48 -0.75 4.49 4.32 2o7pA1 SER 123 HB2 -0.02 0.05 0.10 -0.04 3.95 4.04 2o7pA1 SER 123 HB3 0.00 0.13 0.04 -0.04 3.93 4.06 2o7pA1 HIS 124 H -0.10 0.22 0.22 -0.55 8.41 8.20 2o7pA1 HIS 124 HA 0.02 0.51 0.91 -0.75 4.63 5.31 2o7pA1 HIS 124 HB2 0.01 0.13 -0.17 -0.04 3.26 3.19 2o7pA1 HIS 124 HB3 0.01 -0.11 -0.14 -0.04 3.20 2.92 2o7pA1 HIS 124 HD2 0.01 0.11 -0.08 -0.04 6.97 6.96 2o7pA1 HIS 124 HE1 0.01 -0.03 -0.01 -0.04 7.75 7.67 2o7pA1 GLY 125 H 0.11 0.54 0.19 -0.55 8.43 8.71 2o7pA1 GLY 125 HA2 0.04 0.09 0.39 -0.51 4.01 4.01 2o7pA1 GLY 125 HA3 -0.10 0.07 0.74 -0.51 4.01 4.21 2o7pA1 LEU 126 H 0.02 0.11 -0.32 -0.55 8.37 7.63 2o7pA1 LEU 126 HA 0.01 0.10 0.20 -0.75 4.35 3.89 2o7pA1 LEU 126 HB2 0.03 -0.01 -0.09 -0.04 1.64 1.53 2o7pA1 LEU 126 HB3 0.07 0.02 -0.10 -0.04 1.64 1.58 2o7pA1 LEU 126 HG 0.04 -0.03 -0.08 -0.04 1.64 1.53 2o7pA1 LEU 126 HD13 0.10 -0.00 -0.22 -0.04 0.93 0.77 2o7pA1 LEU 126 HD23 0.02 0.01 -0.00 -0.04 0.89 0.87 2o7pA1 SER 129 HA 0.01 0.02 0.27 -0.75 4.49 4.02 2o7pA1 SER 129 HB2 0.00 0.04 0.10 -0.04 3.95 4.05 2o7pA1 SER 129 HB3 0.00 -0.02 0.10 -0.04 3.93 3.96 2o7pA1 GLU 130 H -0.00 0.23 0.04 -0.55 8.60 8.31 2o7pA1 GLU 130 HA -0.01 0.10 0.56 -0.75 4.29 4.18 2o7pA1 GLU 130 HB2 -0.01 0.04 0.06 -0.04 2.09 2.13 2o7pA1 GLU 130 HB3 -0.02 0.02 -0.05 -0.04 1.99 1.90 2o7pA1 GLU 130 HG2 -0.02 0.02 -0.01 -0.04 2.34 2.28 2o7pA1 GLU 130 HG3 -0.02 -0.00 -0.02 -0.04 2.34 2.26 2o7pA1 ALA 131 H 0.00 0.18 0.05 -0.55 8.40 8.08 2o7pA1 ALA 131 HA -0.01 0.06 0.48 -0.75 4.34 4.11 2o7pA1 ALA 131 HB3 0.01 0.04 0.12 -0.04 1.41 1.54 2o7pA1 GLU 132 H 0.01 0.11 -0.30 -0.55 8.60 7.87 2o7pA1 GLU 132 HA 0.01 0.10 0.38 -0.75 4.29 4.02 2o7pA1 GLU 132 HB2 0.01 -0.02 0.05 -0.04 2.09 2.08 2o7pA1 GLU 132 HB3 0.00 0.15 0.03 -0.04 1.99 2.13 2o7pA1 GLU 132 HG2 0.01 -0.02 -0.02 -0.04 2.34 2.27 2o7pA1 GLU 132 HG3 0.01 0.00 -0.01 -0.04 2.34 2.30 2o7pA1 GLN 133 H -0.01 0.29 -0.30 -0.55 8.47 7.90 2o7pA1 GLN 133 HA -0.04 -0.00 0.29 -0.75 4.36 3.85 2o7pA1 GLN 133 HB2 -0.02 0.04 0.14 -0.04 2.15 2.27 2o7pA1 GLN 133 HB3 -0.03 0.12 0.09 -0.04 2.02 2.16 2o7pA1 GLN 133 HG2 -0.03 -0.04 -0.00 -0.04 2.40 2.28 2o7pA1 GLN 133 HG3 -0.05 -0.01 0.03 -0.04 2.39 2.33 2o7pA1 GLN 133 HE21 0.00 -0.03 -0.01 -0.04 6.97 6.89 2o7pA1 GLN 133 HE22 -0.02 -0.02 -0.01 -0.04 7.69 7.60 2o7pA1 LEU 134 H -0.03 0.37 -0.55 -0.55 8.37 7.61 2o7pA1 LEU 134 HA -0.07 0.01 0.34 -0.75 4.35 3.87 2o7pA1 LEU 134 HB2 -0.04 0.00 0.09 -0.04 1.64 1.65 2o7pA1 LEU 134 HB3 -0.03 0.25 0.12 -0.04 1.64 1.93 2o7pA1 LEU 134 HG -0.08 -0.02 0.04 -0.04 1.64 1.54 2o7pA1 LEU 134 HD13 -0.07 -0.04 -0.08 -0.04 0.93 0.70 2o7pA1 LEU 134 HD23 -0.05 -0.03 -0.11 -0.04 0.89 0.67 2o7pA1 ASN 135 H -0.03 0.43 -0.42 -0.55 8.53 7.97 2o7pA1 ASN 135 HA -0.02 0.13 0.84 -0.75 4.76 4.96 2o7pA1 ASN 135 HB2 0.07 0.13 0.04 -0.04 2.88 3.08 2o7pA1 ASN 135 HB3 0.19 -0.12 0.17 -0.04 2.79 2.99 2o7pA1 ASN 135 HD21 -0.05 0.21 0.00 -0.04 7.03 7.15 2o7pA1 ASN 135 HD22 0.01 0.07 -0.07 -0.04 7.74 7.71 2o7pA1 LYS 136 H -0.10 0.29 -0.11 -0.55 8.42 7.94 2o7pA1 LYS 136 HA -0.09 0.12 0.32 -0.75 4.32 3.91 2o7pA1 LYS 136 HB2 -0.47 -0.05 0.12 -0.04 1.87 1.42 2o7pA1 LYS 136 HB3 -0.84 -0.02 -0.01 -0.04 1.79 0.88 2o7pA1 LYS 136 HG2 -0.13 -0.01 0.02 -0.04 1.46 1.30 2o7pA1 LYS 136 HG3 -0.14 0.20 0.12 -0.04 1.46 1.60 2o7pA1 LYS 136 HD2 -0.18 -0.05 -0.02 -0.04 1.69 1.40 2o7pA1 LYS 136 HD3 -0.07 -0.03 0.02 -0.04 1.68 1.57 2o7pA1 LYS 136 HE2 -0.20 0.09 0.04 -0.04 2.99 2.88 2o7pA1 LYS 136 HE3 -0.49 -0.05 -0.03 -0.04 2.99 2.38 2o7pA1 GLY 137 H -0.10 0.07 -0.16 -0.55 8.43 7.69 2o7pA1 GLY 137 HA2 0.14 0.01 0.48 -0.51 4.01 4.13 2o7pA1 GLY 137 HA3 0.13 -0.00 0.26 -0.51 4.01 3.89 2o7pA1 PHE 138 H 0.24 0.04 -0.03 -0.55 8.34 8.05 2o7pA1 PHE 138 HA 0.08 0.07 0.38 -0.75 4.62 4.40 2o7pA1 PHE 138 HB2 0.04 0.03 0.02 -0.04 3.15 3.20 2o7pA1 PHE 138 HB3 -0.01 -0.07 0.08 -0.04 3.06 3.03 2o7pA1 PHE 138 HD2 0.02 0.06 -0.07 -0.04 7.28 7.25 2o7pA1 PHE 138 HE2 -0.00 -0.03 -0.01 -0.04 7.38 7.30 2o7pA1 PHE 138 HZ -0.02 -0.09 0.01 -0.04 7.32 7.18 2o7pA1 LEU 139 H 0.12 0.52 -0.30 -0.55 8.37 8.16 2o7pA1 LEU 139 HA -0.19 0.00 0.56 -0.75 4.35 3.96 2o7pA1 LEU 139 HB2 0.02 0.11 0.09 -0.04 1.64 1.82 2o7pA1 LEU 139 HB3 -0.00 -0.05 0.01 -0.04 1.64 1.56 2o7pA1 LEU 139 HG 0.15 0.00 0.03 -0.04 1.64 1.79 2o7pA1 LEU 139 HD13 0.03 0.00 -0.04 -0.04 0.93 0.89 2o7pA1 LEU 139 HD23 0.06 -0.01 0.01 -0.04 0.89 0.91 2o7pA1 LYS 140 H 0.03 0.40 0.03 -0.55 8.42 8.33 2o7pA1 LYS 140 HA 0.02 -0.05 0.49 -0.75 4.32 4.02 2o7pA1 LYS 140 HB2 0.13 -0.10 0.12 -0.04 1.87 1.99 2o7pA1 LYS 140 HB3 0.14 0.06 0.20 -0.04 1.79 2.15 2o7pA1 LYS 140 HG2 0.12 0.25 -0.37 -0.04 1.46 1.42 2o7pA1 LYS 140 HG3 0.05 -0.10 -0.04 -0.04 1.46 1.34 2o7pA1 LYS 140 HD2 0.09 -0.07 -0.05 -0.04 1.69 1.62 2o7pA1 LYS 140 HD3 0.21 -0.09 -0.13 -0.04 1.68 1.63 2o7pA1 LYS 140 HE2 -0.02 -0.04 -0.15 -0.04 2.99 2.74 2o7pA1 LYS 140 HE3 -0.05 -0.06 -0.09 -0.04 2.99 2.75 2o7pA1 ARG 141 H 0.04 0.44 0.03 -0.55 8.46 8.41 2o7pA1 ARG 141 HA 0.08 0.25 0.13 -0.75 4.34 4.05 2o7pA1 ARG 141 HB2 0.08 -0.08 0.03 -0.04 1.90 1.89 2o7pA1 ARG 141 HB3 -0.04 0.00 0.05 -0.04 1.80 1.76 2o7pA1 ARG 141 HG2 0.05 0.15 -0.00 -0.04 1.67 1.83 2o7pA1 ARG 141 HG3 0.10 -0.06 -0.14 -0.04 1.67 1.53 2o7pA1 ARG 141 HD2 0.06 -0.01 0.01 -0.04 3.22 3.24 2o7pA1 ARG 141 HD3 0.10 -0.07 0.01 -0.04 3.22 3.22 2o7pA1 ARG 143 HA -0.03 -0.14 0.31 -0.75 4.34 3.73 2o7pA1 ARG 143 HB2 -0.01 -0.07 0.03 -0.04 1.90 1.80 2o7pA1 ARG 143 HB3 -0.02 -0.13 0.06 -0.04 1.80 1.67 2o7pA1 ARG 143 HG2 -0.05 0.65 0.26 -0.04 1.67 2.49 2o7pA1 ARG 143 HG3 -0.02 -0.17 0.01 -0.04 1.67 1.46 2o7pA1 ARG 143 HD2 -0.03 -0.00 0.09 -0.04 3.22 3.24 2o7pA1 ARG 143 HD3 -0.05 -0.04 0.09 -0.04 3.22 3.18 2o7pA1 THR 144 H 0.03 0.86 -0.19 -0.55 8.28 8.43 2o7pA1 THR 144 HA 0.06 0.01 0.81 -0.75 4.39 4.52 2o7pA1 THR 144 HB 0.02 -0.17 0.11 -0.04 4.32 4.23 2o7pA1 THR 144 HG23 -0.03 -0.01 -0.05 -0.04 1.22 1.09 2o7pA1 GLY 145 H 0.32 -0.01 0.13 -0.55 8.43 8.32 2o7pA1 GLY 145 HA2 0.07 0.07 0.44 -0.51 4.01 4.08 2o7pA1 GLY 145 HA3 0.09 -0.11 0.36 -0.51 4.01 3.83 2o7pA1 PHE 146 H 0.56 0.00 -0.47 -0.55 8.34 7.88 2o7pA1 PHE 146 HA 0.03 -0.00 -0.12 -0.75 4.62 3.77 2o7pA1 PHE 146 HB2 0.02 0.01 -0.11 -0.04 3.15 3.02 2o7pA1 PHE 146 HB3 0.02 0.06 -0.01 -0.04 3.06 3.10 2o7pA1 PHE 146 HD2 0.00 -0.05 0.04 -0.04 7.28 7.22 2o7pA1 PHE 146 HE2 -0.01 -0.06 0.04 -0.04 7.38 7.32 2o7pA1 PHE 146 HZ -0.01 -0.06 0.00 -0.04 7.32 7.21 2o7pA1 PRO 147 HA 0.17 0.28 0.76 -0.51 4.44 5.15 2o7pA1 PRO 147 HB2 0.14 -0.15 -0.35 -0.04 2.28 1.87 2o7pA1 PRO 147 HB3 0.14 0.36 -0.38 -0.04 2.02 2.10 2o7pA1 PRO 147 HG2 0.08 -0.09 -0.17 -0.04 2.03 1.81 2o7pA1 PRO 147 HG3 0.08 0.09 -0.21 -0.04 2.03 1.95 2o7pA1 PRO 147 HD2 0.16 0.04 0.05 -0.04 3.68 3.89 2o7pA1 PRO 147 HD3 0.07 0.03 0.04 -0.04 3.65 3.75 2o7pA1 TYR 148 H 0.27 0.54 0.33 -0.55 8.29 8.88 2o7pA1 TYR 148 HA 0.07 0.08 0.61 -0.75 4.56 4.57 2o7pA1 TYR 148 HB2 0.08 0.15 0.06 -0.04 3.06 3.31 2o7pA1 TYR 148 HB3 0.11 -0.09 0.21 -0.04 2.98 3.16 2o7pA1 TYR 148 HD2 0.08 0.03 -0.16 -0.04 7.15 7.06 2o7pA1 TYR 148 HE2 0.08 -0.00 -0.10 -0.04 6.85 6.78 2o7pA1 ILE 149 H -0.13 0.23 0.25 -0.55 8.25 8.05 2o7pA1 ILE 149 HA 0.06 0.23 1.06 -0.75 4.18 4.77 2o7pA1 ILE 149 HB -0.05 0.21 0.29 -0.04 1.89 2.30 2o7pA1 ILE 149 HG12 0.01 -0.10 -0.07 -0.04 1.49 1.29 2o7pA1 ILE 149 HG13 0.05 -0.03 -0.14 -0.04 1.21 1.05 2o7pA1 ILE 149 HG23 -0.06 -0.04 -0.27 -0.04 0.93 0.53 2o7pA1 ILE 149 HD13 0.07 0.08 -0.04 -0.04 0.88 0.95 2o7pA1 GLN 150 H 0.08 0.70 0.40 -0.55 8.47 9.10 2o7pA1 GLN 150 HA -0.05 0.18 1.02 -0.75 4.36 4.76 2o7pA1 GLN 150 HB2 0.28 0.05 0.15 -0.04 2.15 2.59 2o7pA1 GLN 150 HB3 0.10 -0.03 -0.07 -0.04 2.02 1.98 2o7pA1 GLN 150 HG2 0.27 -0.01 -0.07 -0.04 2.40 2.55 2o7pA1 GLN 150 HG3 0.40 -0.01 -0.21 -0.04 2.39 2.52 2o7pA1 GLN 150 HE21 0.40 0.09 -0.10 -0.04 6.97 7.31 2o7pA1 GLN 150 HE22 0.48 -0.01 -0.11 -0.04 7.69 8.00 2o7pA1 LEU 151 H -0.18 0.69 0.36 -0.55 8.37 8.70 2o7pA1 LEU 151 HA -0.36 0.12 1.09 -0.75 4.35 4.45 2o7pA1 LEU 151 HB2 -0.16 -0.02 -0.07 -0.04 1.64 1.35 2o7pA1 LEU 151 HB3 -0.18 0.04 0.16 -0.04 1.64 1.62 2o7pA1 LEU 151 HG -0.21 -0.01 -0.28 -0.04 1.64 1.11 2o7pA1 LEU 151 HD13 -0.19 0.01 -0.03 -0.04 0.93 0.68 2o7pA1 LEU 151 HD23 -0.12 -0.02 -0.04 -0.04 0.89 0.68 2o7pA1 LYS 152 H -0.64 0.46 0.30 -0.55 8.42 7.98 2o7pA1 LYS 152 HA -0.34 0.25 0.89 -0.75 4.32 4.36 2o7pA1 LYS 152 HB2 -0.40 -0.01 0.05 -0.04 1.87 1.46 2o7pA1 LYS 152 HB3 -1.67 0.03 0.09 -0.04 1.79 0.20 2o7pA1 LYS 152 HG2 0.18 -0.01 -0.02 -0.04 1.46 1.57 2o7pA1 LYS 152 HG3 -0.17 -0.03 0.01 -0.04 1.46 1.23 2o7pA1 LYS 152 HD2 0.23 0.15 -0.21 -0.04 1.69 1.82 2o7pA1 LYS 152 HD3 0.62 -0.04 -0.13 -0.04 1.68 2.08 2o7pA1 LYS 152 HE2 0.05 -0.15 -0.39 -0.04 2.99 2.47 2o7pA1 LYS 152 HE3 0.21 -0.02 -0.23 -0.04 2.99 2.92 2o7pA1 LEU 153 H -0.15 0.58 0.41 -0.55 8.37 8.67 2o7pA1 LEU 153 HA -0.12 0.18 0.96 -0.75 4.35 4.62 2o7pA1 LEU 153 HB2 -0.12 -0.05 0.12 -0.04 1.64 1.54 2o7pA1 LEU 153 HB3 -0.08 0.01 -0.16 -0.04 1.64 1.37 2o7pA1 LEU 153 HG -0.11 0.06 -0.05 -0.04 1.64 1.50 2o7pA1 LEU 153 HD13 -0.16 0.03 -0.26 -0.04 0.93 0.50 2o7pA1 LEU 153 HD23 -0.14 -0.01 -0.11 -0.04 0.89 0.59 2o7pA1 GLY 154 H -0.06 0.21 0.16 -0.55 8.43 8.20 2o7pA1 GLY 154 HA2 0.11 0.19 1.12 -0.51 4.01 4.92 2o7pA1 GLY 154 HA3 0.05 0.04 0.40 -0.51 4.01 3.99 2o7pA1 ALA 155 H 0.05 0.80 0.41 -0.55 8.40 9.12 2o7pA1 ALA 155 HA -0.01 0.30 0.94 -0.75 4.34 4.82 2o7pA1 ALA 155 HB3 -0.01 -0.02 -0.15 -0.04 1.41 1.19 2o7pA1 SER 156 H 0.00 0.45 0.26 -0.55 8.46 8.63 2o7pA1 SER 156 HA 0.02 0.19 0.99 -0.75 4.49 4.94 2o7pA1 SER 156 HB2 0.01 0.42 0.28 -0.04 3.95 4.62 2o7pA1 SER 156 HB3 0.01 0.00 0.08 -0.04 3.93 3.98 2o7pA1 LEU 157 H 0.01 0.40 0.23 -0.55 8.37 8.47 2o7pA1 LEU 157 HA 0.01 0.09 0.38 -0.75 4.35 4.07 2o7pA1 LEU 157 HB2 0.01 0.02 -0.01 -0.04 1.64 1.62 2o7pA1 LEU 157 HB3 0.01 -0.00 -0.12 -0.04 1.64 1.48 2o7pA1 LEU 157 HG 0.02 0.01 0.02 -0.04 1.64 1.65 2o7pA1 LEU 157 HD13 0.01 0.00 -0.05 -0.04 0.93 0.85 2o7pA1 LEU 157 HD23 0.01 0.00 -0.01 -0.04 0.89 0.85 2o7pA1 ASP 158 H 0.01 0.07 -0.13 -0.55 8.40 7.80 2o7pA1 ASP 158 HA 0.00 0.18 0.53 -0.75 4.63 4.58 2o7pA1 ASP 158 HB2 0.00 0.06 0.14 -0.04 2.71 2.87 2o7pA1 ASP 158 HB3 0.00 0.02 0.09 -0.04 2.70 2.77 2o7pA1 GLY 159 H 0.00 0.54 -0.61 -0.55 8.43 7.81 2o7pA1 GLY 159 HA2 -0.01 0.10 0.24 -0.51 4.01 3.83 2o7pA1 GLY 159 HA3 -0.01 0.07 0.35 -0.51 4.01 3.91 2o7pA1 ARG 160 H -0.00 -0.08 -0.18 -0.55 8.46 7.64 2o7pA1 ARG 160 HA -0.02 0.23 0.66 -0.75 4.34 4.46 2o7pA1 ARG 160 HB2 -0.00 -0.17 -0.11 -0.04 1.90 1.57 2o7pA1 ARG 160 HB3 -0.01 0.22 -0.12 -0.04 1.80 1.85 2o7pA1 ARG 160 HG2 -0.01 0.03 -0.22 -0.04 1.67 1.44 2o7pA1 ARG 160 HG3 -0.01 0.03 -0.31 -0.04 1.67 1.35 2o7pA1 ARG 160 HD2 0.00 -0.04 -0.18 -0.04 3.22 2.96 2o7pA1 ARG 160 HD3 0.00 -0.07 -0.06 -0.04 3.22 3.05 2o7pA1 THR 161 H -0.02 0.56 0.04 -0.55 8.28 8.30 2o7pA1 THR 161 HA -0.02 0.04 0.84 -0.75 4.39 4.50 2o7pA1 THR 161 HB -0.06 0.37 0.06 -0.04 4.32 4.65 2o7pA1 THR 161 HG23 -0.07 -0.03 -0.01 -0.04 1.22 1.07 2o7pA1 ALA 162 H 0.01 0.12 0.02 -0.55 8.40 8.00 2o7pA1 ALA 162 HA 0.05 0.05 0.21 -0.75 4.34 3.90 2o7pA1 ALA 162 HB3 -0.05 0.05 -0.10 -0.04 1.41 1.27 2o7pA1 ALA 164 HA 0.16 -0.05 0.14 -0.75 4.34 3.84 2o7pA1 ALA 164 HB3 0.07 0.00 0.18 -0.04 1.41 1.62 2o7pA1 SER 165 H 0.32 0.06 -0.07 -0.55 8.46 8.22 2o7pA1 SER 165 HA 0.10 0.23 0.63 -0.75 4.49 4.70 2o7pA1 SER 165 HB2 0.12 -0.02 -0.01 -0.04 3.95 4.01 2o7pA1 SER 165 HB3 0.12 0.05 -0.24 -0.04 3.93 3.82 2o7pA1 GLY 166 H 0.21 0.03 -0.11 -0.55 8.43 8.01 2o7pA1 GLY 166 HA2 -0.16 0.15 0.41 -0.51 4.01 3.90 2o7pA1 GLY 166 HA3 -0.10 0.20 0.74 -0.51 4.01 4.33 2o7pA1 GLU 167 H -0.64 0.30 0.12 -0.55 8.60 7.84 2o7pA1 GLU 167 HA -3.22 0.05 0.32 -0.75 4.29 0.69 2o7pA1 GLU 167 HB2 -0.63 0.02 0.15 -0.04 2.09 1.59 2o7pA1 GLU 167 HB3 -0.46 0.01 0.12 -0.04 1.99 1.63 2o7pA1 GLU 167 HG2 -0.48 0.07 -0.10 -0.04 2.34 1.78 2o7pA1 GLU 167 HG3 -0.77 0.04 0.05 -0.04 2.34 1.62 2o7pA1 SER 168 H -0.32 0.09 -0.28 -0.55 8.46 7.41 2o7pA1 SER 168 HA -0.14 0.05 0.30 -0.75 4.49 3.94 2o7pA1 SER 168 HB2 -0.07 0.08 -0.08 -0.04 3.95 3.84 2o7pA1 SER 168 HB3 -0.07 0.02 0.07 -0.04 3.93 3.91 2o7pA1 GLN 169 H -0.08 0.66 -0.45 -0.55 8.47 8.05 2o7pA1 GLN 169 HA 0.08 0.19 0.62 -0.75 4.36 4.49 2o7pA1 GLN 169 HB2 0.18 -0.02 -0.16 -0.04 2.15 2.11 2o7pA1 GLN 169 HB3 0.09 -0.08 0.01 -0.04 2.02 2.01 2o7pA1 GLN 169 HG2 -0.01 -0.07 -0.11 -0.04 2.40 2.17 2o7pA1 GLN 169 HG3 0.05 0.15 -0.02 -0.04 2.39 2.52 2o7pA1 GLN 169 HE21 0.02 -0.03 -0.06 -0.04 6.97 6.85 2o7pA1 GLN 169 HE22 0.04 -0.03 -0.05 -0.04 7.69 7.61 2o7pA1 TRP 170 H 0.27 0.62 -0.17 -0.55 7.97 8.15 2o7pA1 TRP 170 HA 0.02 -0.05 0.44 -0.75 4.62 4.27 2o7pA1 TRP 170 HB2 0.03 0.13 0.12 -0.04 3.23 3.47 2o7pA1 TRP 170 HB3 0.04 -0.05 -0.09 -0.04 3.23 3.09 2o7pA1 TRP 170 HD1 0.10 0.03 -0.01 -0.04 7.22 7.30 2o7pA1 TRP 170 HE1 0.06 0.02 -0.03 -0.04 10.20 10.21 2o7pA1 TRP 170 HE3 0.02 -0.00 -0.31 -0.04 7.59 7.25 2o7pA1 TRP 170 HZ2 0.04 0.01 -0.07 -0.04 7.44 7.38 2o7pA1 TRP 170 HZ3 0.02 -0.15 -0.23 -0.04 7.13 6.73 2o7pA1 TRP 170 HH2 0.03 0.00 -0.10 -0.04 7.19 7.08 2o7pA1 ILE 171 H 0.20 0.33 -0.30 -0.55 8.25 7.92 2o7pA1 ILE 171 HA 0.06 0.08 0.75 -0.75 4.18 4.32 2o7pA1 ILE 171 HB 0.05 0.04 -0.05 -0.04 1.89 1.90 2o7pA1 ILE 171 HG12 0.18 -0.03 -0.36 -0.04 1.49 1.24 2o7pA1 ILE 171 HG13 -0.09 0.01 -0.20 -0.04 1.21 0.89 2o7pA1 ILE 171 HG23 -0.12 0.00 -0.39 -0.04 0.93 0.38 2o7pA1 ILE 171 HD13 0.01 0.09 -0.11 -0.04 0.88 0.82 2o7pA1 THR 172 H 0.03 0.09 0.05 -0.55 8.28 7.90 2o7pA1 THR 172 HA 0.03 0.16 0.26 -0.75 4.39 4.09 2o7pA1 THR 172 HB 0.02 -0.11 0.18 -0.04 4.32 4.37 2o7pA1 THR 172 HG23 0.02 -0.00 -0.08 -0.04 1.22 1.12 2o7pA1 SER 173 H 0.00 0.03 0.07 -0.55 8.46 8.02 2o7pA1 SER 173 HA 0.00 0.20 0.26 -0.75 4.49 4.19 2o7pA1 SER 173 HB2 0.01 0.02 0.15 -0.04 3.95 4.08 2o7pA1 SER 173 HB3 0.01 0.06 0.14 -0.04 3.93 4.10 2o7pA1 PRO 174 HA -0.02 0.15 0.47 -0.51 4.44 4.53 2o7pA1 PRO 174 HB2 -0.01 -0.03 0.05 -0.04 2.28 2.25 2o7pA1 PRO 174 HB3 -0.02 0.09 0.08 -0.04 2.02 2.14 2o7pA1 PRO 174 HG2 -0.01 0.03 0.12 -0.04 2.03 2.13 2o7pA1 PRO 174 HG3 -0.01 0.11 0.13 -0.04 2.03 2.21 2o7pA1 PRO 174 HD2 -0.00 0.03 0.26 -0.04 3.68 3.92 2o7pA1 PRO 174 HD3 -0.00 0.28 0.21 -0.04 3.65 4.10 2o7pA1 GLN 175 H -0.00 0.08 -0.25 -0.55 8.47 7.75 2o7pA1 GLN 175 HA -0.01 0.14 0.27 -0.75 4.36 4.00 2o7pA1 GLN 175 HB2 0.02 0.02 -0.20 -0.04 2.15 1.95 2o7pA1 GLN 175 HB3 0.02 0.03 -0.13 -0.04 2.02 1.90 2o7pA1 GLN 175 HG2 0.01 0.02 -0.01 -0.04 2.40 2.38 2o7pA1 GLN 175 HG3 -0.00 0.05 -0.05 -0.04 2.39 2.35 2o7pA1 GLN 175 HE21 -0.00 0.03 0.05 -0.04 6.97 7.01 2o7pA1 GLN 175 HE22 0.00 0.03 0.03 -0.04 7.69 7.71 2o7pA1 ALA 176 H -0.02 0.06 -0.28 -0.55 8.40 7.61 2o7pA1 ALA 176 HA -0.05 0.08 0.46 -0.75 4.34 4.08 2o7pA1 ALA 176 HB3 -0.14 0.04 0.00 -0.04 1.41 1.27 2o7pA1 ARG 177 H -0.05 0.71 -0.16 -0.55 8.46 8.41 2o7pA1 ARG 177 HA -0.05 -0.01 0.27 -0.75 4.34 3.80 2o7pA1 ARG 177 HB2 -0.03 0.04 0.09 -0.04 1.90 1.96 2o7pA1 ARG 177 HB3 -0.04 -0.02 -0.02 -0.04 1.80 1.68 2o7pA1 ARG 177 HG2 -0.01 -0.12 0.01 -0.04 1.67 1.50 2o7pA1 ARG 177 HG3 -0.02 0.14 -0.20 -0.04 1.67 1.55 2o7pA1 ARG 177 HD2 -0.03 -0.13 0.02 -0.04 3.22 3.04 2o7pA1 ARG 177 HD3 -0.01 0.23 0.12 -0.04 3.22 3.51 2o7pA1 ARG 178 H -0.04 0.46 -0.33 -0.55 8.46 7.99 2o7pA1 ARG 178 HA -0.06 0.12 0.40 -0.75 4.34 4.05 2o7pA1 ARG 178 HB2 -0.04 0.16 0.14 -0.04 1.90 2.12 2o7pA1 ARG 178 HB3 -0.03 0.04 0.08 -0.04 1.80 1.85 2o7pA1 ARG 178 HG2 -0.07 -0.05 0.05 -0.04 1.67 1.56 2o7pA1 ARG 178 HG3 -0.07 0.10 -0.01 -0.04 1.67 1.64 2o7pA1 ARG 178 HD2 -0.03 -0.05 -0.04 -0.04 3.22 3.06 2o7pA1 ARG 178 HD3 -0.05 -0.10 -0.08 -0.04 3.22 2.95 2o7pA1 ASP 179 H -0.01 0.41 -0.25 -0.55 8.40 8.00 2o7pA1 ASP 179 HA 0.03 0.01 0.49 -0.75 4.63 4.41 2o7pA1 ASP 179 HB2 0.09 0.09 0.16 -0.04 2.71 3.01 2o7pA1 ASP 179 HB3 0.14 0.03 0.05 -0.04 2.70 2.88 2o7pA1 VAL 180 H -0.04 0.59 -0.07 -0.55 8.24 8.17 2o7pA1 VAL 180 HA -0.00 -0.00 0.35 -0.75 4.13 3.72 2o7pA1 VAL 180 HB -0.00 0.16 0.05 -0.04 2.12 2.28 2o7pA1 VAL 180 HG13 0.24 -0.01 -0.11 -0.04 0.97 1.05 2o7pA1 VAL 180 HG23 -0.06 0.05 -0.07 -0.04 0.95 0.83 2o7pA1 GLN 181 H -0.07 0.46 -0.29 -0.55 8.47 8.02 2o7pA1 GLN 181 HA -0.12 0.01 0.41 -0.75 4.36 3.91 2o7pA1 GLN 181 HB2 -0.08 0.20 0.14 -0.04 2.15 2.37 2o7pA1 GLN 181 HB3 -0.09 -0.02 -0.06 -0.04 2.02 1.80 2o7pA1 GLN 181 HG2 -0.06 0.11 0.04 -0.04 2.40 2.45 2o7pA1 GLN 181 HG3 -0.07 -0.03 0.02 -0.04 2.39 2.27 2o7pA1 GLN 181 HE21 -0.03 0.16 0.04 -0.04 6.97 7.10 2o7pA1 GLN 181 HE22 -0.03 -0.01 -0.06 -0.04 7.69 7.54 2o7pA1 LEU 182 H -0.06 0.43 -0.15 -0.55 8.37 8.04 2o7pA1 LEU 182 HA 0.01 0.00 0.35 -0.75 4.35 3.96 2o7pA1 LEU 182 HB2 -0.01 -0.00 0.17 -0.04 1.64 1.76 2o7pA1 LEU 182 HB3 0.01 0.20 0.18 -0.04 1.64 1.99 2o7pA1 LEU 182 HG 0.08 0.03 -0.17 -0.04 1.64 1.54 2o7pA1 LEU 182 HD13 0.24 -0.01 0.02 -0.04 0.93 1.14 2o7pA1 LEU 182 HD23 0.05 -0.04 -0.00 -0.04 0.89 0.85 2o7pA1 LEU 183 H -0.17 0.43 -0.23 -0.55 8.37 7.85 2o7pA1 LEU 183 HA -0.09 0.06 0.47 -0.75 4.35 4.04 2o7pA1 LEU 183 HB2 -0.49 0.04 0.09 -0.04 1.64 1.24 2o7pA1 LEU 183 HB3 -0.83 -0.02 -0.11 -0.04 1.64 0.64 2o7pA1 LEU 183 HG 0.17 -0.02 -0.05 -0.04 1.64 1.70 2o7pA1 LEU 183 HD13 0.07 0.03 -0.12 -0.04 0.93 0.86 2o7pA1 LEU 183 HD23 0.34 -0.01 -0.12 -0.04 0.89 1.05 2o7pA1 ARG 184 H -0.56 0.62 -0.08 -0.55 8.46 7.88 2o7pA1 ARG 184 HA -0.74 -0.03 0.37 -0.75 4.34 3.19 2o7pA1 ARG 184 HB2 -0.28 0.10 0.18 -0.04 1.90 1.86 2o7pA1 ARG 184 HB3 -0.20 -0.00 -0.09 -0.04 1.80 1.47 2o7pA1 ARG 184 HG2 -0.51 -0.02 -0.02 -0.04 1.67 1.08 2o7pA1 ARG 184 HG3 -1.01 -0.00 0.01 -0.04 1.67 0.62 2o7pA1 ARG 184 HD2 -0.12 -0.02 -0.13 -0.04 3.22 2.92 2o7pA1 ARG 184 HD3 -0.05 0.04 -0.19 -0.04 3.22 2.97 2o7pA1 ALA 185 H -0.08 0.45 -0.35 -0.55 8.40 7.88 2o7pA1 ALA 185 HA 0.11 0.06 0.23 -0.75 4.34 3.99 2o7pA1 ALA 185 HB3 0.18 -0.01 0.03 -0.04 1.41 1.57 2o7pA1 GLN 186 H 0.07 0.25 -0.45 -0.55 8.47 7.79 2o7pA1 GLN 186 HA 0.11 0.21 0.91 -0.75 4.36 4.83 2o7pA1 GLN 186 HB2 0.01 -0.01 -0.02 -0.04 2.15 2.08 2o7pA1 GLN 186 HB3 -0.09 -0.02 0.13 -0.04 2.02 2.01 2o7pA1 GLN 186 HG2 -0.55 -0.06 -0.10 -0.04 2.40 1.64 2o7pA1 GLN 186 HG3 0.12 0.19 0.01 -0.04 2.39 2.66 2o7pA1 GLN 186 HE21 -0.03 -0.10 -0.07 -0.04 6.97 6.74 2o7pA1 GLN 186 HE22 0.05 -0.01 -0.08 -0.04 7.69 7.62 2o7pA1 SER 187 H 0.02 0.58 -0.11 -0.55 8.46 8.42 2o7pA1 SER 187 HA 0.06 0.00 0.72 -0.75 4.49 4.52 2o7pA1 SER 187 HB2 0.09 0.10 -0.09 -0.04 3.95 4.01 2o7pA1 SER 187 HB3 0.18 -0.18 -0.03 -0.04 3.93 3.86 2o7pA1 HIS 188 H -0.13 -0.01 0.24 -0.55 8.41 7.97 2o7pA1 HIS 188 HA -0.55 0.13 0.62 -0.75 4.63 4.09 2o7pA1 HIS 188 HB2 -0.43 -0.12 0.33 -0.04 3.26 3.00 2o7pA1 HIS 188 HB3 -0.14 0.09 0.34 -0.04 3.20 3.44 2o7pA1 HIS 188 HD2 -0.16 0.04 0.13 -0.04 6.97 6.94 2o7pA1 HIS 188 HE1 0.13 0.22 0.10 -0.04 7.75 8.16 2o7pA1 ALA 189 H -0.01 0.66 0.39 -0.55 8.40 8.89 2o7pA1 ALA 189 HA -0.16 0.20 1.03 -0.75 4.34 4.65 2o7pA1 ALA 189 HB3 -0.22 -0.02 0.01 -0.04 1.41 1.14 2o7pA1 ILE 190 H -0.06 0.71 0.22 -0.55 8.25 8.57 2o7pA1 ILE 190 HA 0.22 0.14 0.99 -0.75 4.18 4.78 2o7pA1 ILE 190 HB 0.07 0.04 0.09 -0.04 1.89 2.05 2o7pA1 ILE 190 HG12 0.33 -0.03 0.05 -0.04 1.49 1.80 2o7pA1 ILE 190 HG13 0.09 0.03 -0.25 -0.04 1.21 1.04 2o7pA1 ILE 190 HG23 0.29 0.01 -0.07 -0.04 0.93 1.12 2o7pA1 ILE 190 HD13 0.06 0.01 -0.11 -0.04 0.88 0.79 2o7pA1 LEU 191 H 0.08 0.47 0.11 -0.55 8.37 8.48 2o7pA1 LEU 191 HA -0.00 0.40 1.15 -0.75 4.35 5.13 2o7pA1 LEU 191 HB2 0.00 0.02 -0.13 -0.04 1.64 1.49 2o7pA1 LEU 191 HB3 -0.01 -0.08 -0.09 -0.04 1.64 1.42 2o7pA1 LEU 191 HG -0.00 -0.01 -0.13 -0.04 1.64 1.45 2o7pA1 LEU 191 HD13 0.01 0.01 -0.10 -0.04 0.93 0.81 2o7pA1 LEU 191 HD23 -0.01 -0.03 -0.16 -0.04 0.89 0.64 2o7pA1 THR 192 H 0.01 0.66 0.48 -0.55 8.28 8.88 2o7pA1 THR 192 HA 0.02 0.10 0.77 -0.75 4.39 4.53 2o7pA1 THR 192 HB 0.10 0.15 -0.05 -0.04 4.32 4.47 2o7pA1 THR 192 HG23 0.05 0.01 -0.12 -0.04 1.22 1.12 2o7pA1 SER 193 H 0.03 0.12 0.28 -0.55 8.46 8.34 2o7pA1 SER 193 HA 0.03 0.15 0.68 -0.75 4.49 4.60 2o7pA1 SER 193 HB2 0.02 -0.04 0.26 -0.04 3.95 4.15 2o7pA1 SER 193 HB3 -0.00 0.06 0.21 -0.04 3.93 4.16 2o7pA1 SER 194 H 0.05 0.19 0.35 -0.55 8.46 8.50 2o7pA1 SER 194 HA 0.08 0.18 0.63 -0.75 4.49 4.63 2o7pA1 SER 194 HB2 0.05 -0.05 0.10 -0.04 3.95 4.01 2o7pA1 SER 194 HB3 0.08 0.31 0.31 -0.04 3.93 4.59 2o7pA1 ALA 195 H 0.04 0.06 0.10 -0.55 8.40 8.05 2o7pA1 ALA 195 HA 0.05 0.14 0.56 -0.75 4.34 4.34 2o7pA1 ALA 195 HB3 0.03 0.01 0.11 -0.04 1.41 1.52 2o7pA1 THR 196 H 0.06 0.02 -0.32 -0.55 8.28 7.49 2o7pA1 THR 196 HA 0.13 0.10 0.35 -0.75 4.39 4.21 2o7pA1 THR 196 HB 0.12 0.15 0.09 -0.04 4.32 4.63 2o7pA1 THR 196 HG23 0.34 0.05 -0.11 -0.04 1.22 1.45 2o7pA1 VAL 197 H 0.10 0.22 -0.24 -0.55 8.24 7.77 2o7pA1 VAL 197 HA 0.14 0.07 0.40 -0.75 4.13 4.00 2o7pA1 VAL 197 HB 0.04 -0.01 0.14 -0.04 2.12 2.25 2o7pA1 VAL 197 HG13 0.10 0.01 -0.05 -0.04 0.97 1.00 2o7pA1 VAL 197 HG23 0.10 0.11 0.06 -0.04 0.95 1.18 2o7pA1 LEU 198 H 0.07 0.53 -0.05 -0.55 8.37 8.37 2o7pA1 LEU 198 HA 0.18 0.00 0.38 -0.75 4.35 4.16 2o7pA1 LEU 198 HB2 0.08 0.10 0.23 -0.04 1.64 2.00 2o7pA1 LEU 198 HB3 0.09 0.01 -0.05 -0.04 1.64 1.66 2o7pA1 LEU 198 HG 0.03 0.00 -0.02 -0.04 1.64 1.61 2o7pA1 LEU 198 HD13 0.06 -0.01 -0.02 -0.04 0.93 0.91 2o7pA1 LEU 198 HD23 0.04 0.00 -0.06 -0.04 0.89 0.84 2o7pA1 ALA 199 H 0.12 0.41 -0.17 -0.55 8.40 8.21 2o7pA1 ALA 199 HA 0.10 0.09 0.47 -0.75 4.34 4.25 2o7pA1 ALA 199 HB3 0.11 -0.02 0.10 -0.04 1.41 1.56 2o7pA1 ASP 200 H 0.16 0.36 -0.21 -0.55 8.40 8.17 2o7pA1 ASP 200 HA 0.10 0.24 1.03 -0.75 4.63 5.24 2o7pA1 ASP 200 HB2 0.29 0.31 0.10 -0.04 2.71 3.37 2o7pA1 ASP 200 HB3 -0.03 -0.23 0.07 -0.04 2.70 2.48 2o7pA1 ASP 201 H 0.14 0.35 0.03 -0.55 8.40 8.38 2o7pA1 ASP 201 HA 0.17 0.09 0.40 -0.75 4.63 4.53 2o7pA1 ASP 201 HB2 0.06 0.05 0.03 -0.04 2.71 2.80 2o7pA1 ASP 201 HB3 0.02 0.03 0.21 -0.04 2.70 2.92 2o7pA1 PRO 202 HA -0.08 0.05 0.27 -0.51 4.44 4.17 2o7pA1 PRO 202 HB2 0.01 -0.03 -0.02 -0.04 2.28 2.19 2o7pA1 PRO 202 HB3 -0.11 -0.04 0.04 -0.04 2.02 1.87 2o7pA1 PRO 202 HG2 0.10 0.08 -0.14 -0.04 2.03 2.04 2o7pA1 PRO 202 HG3 0.18 0.03 -0.11 -0.04 2.03 2.09 2o7pA1 PRO 202 HD2 0.13 0.05 0.16 -0.04 3.68 3.98 2o7pA1 PRO 202 HD3 0.12 0.09 -0.04 -0.04 3.65 3.78 2o7pA1 ALA 203 H -0.05 0.01 0.17 -0.55 8.40 7.99 2o7pA1 ALA 203 HA 0.03 0.22 0.67 -0.75 4.34 4.51 2o7pA1 ALA 203 HB3 -0.01 0.01 0.03 -0.04 1.41 1.41 2o7pA1 LEU 204 H -0.01 -0.11 0.06 -0.55 8.37 7.76 2o7pA1 LEU 204 HA 0.05 -0.01 0.27 -0.75 4.35 3.90 2o7pA1 LEU 204 HB2 0.05 0.15 -0.18 -0.04 1.64 1.62 2o7pA1 LEU 204 HB3 0.09 0.07 0.12 -0.04 1.64 1.88 2o7pA1 LEU 204 HG 0.10 -0.14 -0.19 -0.04 1.64 1.38 2o7pA1 LEU 204 HD13 0.14 0.01 -0.12 -0.04 0.93 0.92 2o7pA1 LEU 204 HD23 0.22 -0.01 0.00 -0.04 0.89 1.07 2o7pA1 THR 205 H -0.00 -0.11 -0.26 -0.55 8.28 7.36 2o7pA1 THR 205 HA 0.00 0.35 0.84 -0.75 4.39 4.83 2o7pA1 THR 205 HB 0.00 0.07 0.00 -0.04 4.32 4.35 2o7pA1 THR 205 HG23 0.01 0.07 -0.17 -0.04 1.22 1.08 2o7pA1 VAL 206 H 0.00 0.27 0.07 -0.55 8.24 8.03 2o7pA1 VAL 206 HA -0.03 0.07 0.74 -0.75 4.13 4.16 2o7pA1 VAL 206 HB 0.02 0.05 0.11 -0.04 2.12 2.26 2o7pA1 VAL 206 HG13 -0.01 -0.02 -0.28 -0.04 0.97 0.62 2o7pA1 VAL 206 HG23 -0.01 0.04 -0.12 -0.04 0.95 0.81 2o7pA1 ARG 207 H -0.03 0.19 0.03 -0.55 8.46 8.10 2o7pA1 ARG 207 HA 0.02 0.13 0.66 -0.75 4.34 4.39 2o7pA1 ARG 207 HB2 -0.04 0.01 0.15 -0.04 1.90 1.98 2o7pA1 ARG 207 HB3 -0.01 -0.09 0.01 -0.04 1.80 1.67 2o7pA1 ARG 207 HG2 -0.02 -0.02 -0.01 -0.04 1.67 1.58 2o7pA1 ARG 207 HG3 -0.01 0.06 -0.11 -0.04 1.67 1.57 2o7pA1 ARG 207 HD2 -0.04 0.05 0.03 -0.04 3.22 3.22 2o7pA1 ARG 207 HD3 -0.04 -0.02 -0.01 -0.04 3.22 3.11 2o7pA1 TRP 208 H 0.15 0.22 0.10 -0.55 7.97 7.90 2o7pA1 TRP 208 HA -0.18 0.13 0.09 -0.75 4.62 3.91 2o7pA1 TRP 208 HB2 -0.22 0.10 0.06 -0.04 3.23 3.13 2o7pA1 TRP 208 HB3 -0.14 -0.06 0.08 -0.04 3.23 3.08 2o7pA1 TRP 208 HD1 -0.69 0.02 -0.09 -0.04 7.22 6.42 2o7pA1 TRP 208 HE1 -0.22 0.48 -0.07 -0.04 10.20 10.35 2o7pA1 TRP 208 HE3 -0.09 -0.06 -0.24 -0.04 7.59 7.17 2o7pA1 TRP 208 HZ2 -0.05 0.43 0.19 -0.04 7.44 7.96 2o7pA1 TRP 208 HZ3 -0.05 -0.04 -0.01 -0.04 7.13 6.98 2o7pA1 TRP 208 HH2 -0.04 -0.02 0.02 -0.04 7.19 7.11 2o7pA1 SER 209 H 0.12 0.03 -0.18 -0.55 8.46 7.89 2o7pA1 SER 209 HA -0.12 0.11 0.48 -0.75 4.49 4.21 2o7pA1 SER 209 HB2 -0.00 0.02 0.04 -0.04 3.95 3.97 2o7pA1 SER 209 HB3 0.11 -0.01 0.09 -0.04 3.93 4.08 2o7pA1 GLU 210 H -0.11 0.25 -0.37 -0.55 8.60 7.82 2o7pA1 GLU 210 HA -0.12 0.07 0.34 -0.75 4.29 3.83 2o7pA1 GLU 210 HB2 -0.09 0.13 0.10 -0.04 2.09 2.19 2o7pA1 GLU 210 HB3 -0.09 -0.03 0.16 -0.04 1.99 2.00 2o7pA1 GLU 210 HG2 -0.06 0.01 -0.03 -0.04 2.34 2.22 2o7pA1 GLU 210 HG3 -0.05 -0.08 -0.04 -0.04 2.34 2.13 2o7pA1 LEU 211 H -0.39 0.34 -0.77 -0.55 8.37 7.00 2o7pA1 LEU 211 HA -0.20 0.12 0.87 -0.75 4.35 4.37 2o7pA1 LEU 211 HB2 -0.72 0.16 0.04 -0.04 1.64 1.08 2o7pA1 LEU 211 HB3 -0.35 -0.19 -0.02 -0.04 1.64 1.05 2o7pA1 LEU 211 HG -0.31 -0.03 -0.33 -0.04 1.64 0.93 2o7pA1 LEU 211 HD13 -0.57 0.04 -0.10 -0.04 0.93 0.25 2o7pA1 LEU 211 HD23 -0.17 0.01 -0.20 -0.04 0.89 0.49 2o7pA1 ASP 212 H -0.15 0.08 0.09 -0.55 8.40 7.88 2o7pA1 ASP 212 HA -0.11 0.16 0.45 -0.75 4.63 4.38 2o7pA1 ASP 212 HB2 -0.05 -0.01 0.19 -0.04 2.71 2.79 2o7pA1 ASP 212 HB3 -0.06 0.09 0.11 -0.04 2.70 2.80 2o7pA1 GLU 213 H -0.05 0.17 0.09 -0.55 8.60 8.26 2o7pA1 GLU 213 HA -0.08 0.22 1.00 -0.75 4.29 4.68 2o7pA1 GLU 213 HB2 -0.03 0.01 0.14 -0.04 2.09 2.17 2o7pA1 GLU 213 HB3 -0.02 0.03 0.22 -0.04 1.99 2.18 2o7pA1 GLU 213 HG2 -0.04 -0.02 -0.08 -0.04 2.34 2.15 2o7pA1 GLU 213 HG3 -0.03 0.02 0.01 -0.04 2.34 2.30 2o7pA1 GLN 214 H -0.08 0.05 -0.35 -0.55 8.47 7.54 2o7pA1 GLN 214 HA 0.02 0.10 0.58 -0.75 4.36 4.32 2o7pA1 GLN 214 HB2 -0.20 0.09 -0.20 -0.04 2.15 1.80 2o7pA1 GLN 214 HB3 -0.03 0.08 -0.03 -0.04 2.02 2.00 2o7pA1 GLN 214 HG2 -0.04 -0.22 -0.05 -0.04 2.40 2.06 2o7pA1 GLN 214 HG3 0.03 0.09 -0.04 -0.04 2.39 2.43 2o7pA1 GLN 214 HE21 0.04 0.06 -0.08 -0.04 6.97 6.95 2o7pA1 GLN 214 HE22 0.01 -0.16 -0.10 -0.04 7.69 7.40 2o7pA1 THR 215 H -0.21 0.14 -0.21 -0.55 8.28 7.46 2o7pA1 THR 215 HA -0.22 0.14 0.36 -0.75 4.39 3.91 2o7pA1 THR 215 HB -0.23 0.07 0.17 -0.04 4.32 4.29 2o7pA1 THR 215 HG23 0.02 -0.03 -0.15 -0.04 1.22 1.03 2o7pA1 GLN 216 H 0.00 -0.12 -0.51 -0.55 8.47 7.30 2o7pA1 GLN 216 HA 0.11 0.10 0.62 -0.75 4.36 4.44 2o7pA1 ALA 217 H 0.04 -0.11 -0.29 -0.55 8.40 7.49 2o7pA1 ALA 217 HA 0.04 -0.10 0.23 -0.75 4.34 3.76 2o7pA1 ALA 217 HB3 0.07 0.01 0.17 -0.04 1.41 1.62 2o7pA1 LEU 218 H 0.11 -0.00 0.05 -0.55 8.37 7.99 2o7pA1 LEU 218 HA 0.12 0.18 0.63 -0.75 4.35 4.53 2o7pA1 LEU 218 HB2 0.10 0.11 0.26 -0.04 1.64 2.08 2o7pA1 LEU 218 HB3 0.10 -0.06 0.23 -0.04 1.64 1.87 2o7pA1 LEU 218 HG 0.13 -0.03 0.12 -0.04 1.64 1.81 2o7pA1 LEU 218 HD13 0.19 -0.00 0.05 -0.04 0.93 1.13 2o7pA1 LEU 218 HD23 0.07 0.01 0.06 -0.04 0.89 0.99 2o7pA1 TYR 219 H 0.18 0.08 0.03 -0.55 8.29 8.03 2o7pA1 TYR 219 HA 0.11 0.02 0.21 -0.75 4.56 4.14 2o7pA1 TYR 219 HB2 -0.12 -0.02 -0.39 -0.04 3.06 2.49 2o7pA1 TYR 219 HB3 0.29 -0.05 0.00 -0.04 2.98 3.18 2o7pA1 TYR 219 HD2 -0.28 -0.03 -0.13 -0.04 7.15 6.66 2o7pA1 TYR 219 HE2 -0.02 0.14 -0.15 -0.04 6.85 6.77 2o7pA1 PRO 220 HA 0.05 0.12 0.65 -0.51 4.44 4.75 2o7pA1 PRO 220 HB2 -0.04 -0.19 0.03 -0.04 2.28 2.05 2o7pA1 PRO 220 HB3 -0.03 0.02 0.08 -0.04 2.02 2.05 2o7pA1 PRO 220 HG2 0.05 -0.00 0.03 -0.04 2.03 2.06 2o7pA1 PRO 220 HG3 0.06 0.13 0.01 -0.04 2.03 2.19 2o7pA1 PRO 220 HD2 0.17 -0.02 0.04 -0.04 3.68 3.83 2o7pA1 PRO 220 HD3 0.15 0.24 -0.51 -0.04 3.65 3.49 2o7pA1 GLN 221 H -0.73 0.18 0.13 -0.55 8.47 7.50 2o7pA1 GLN 221 HA -2.00 0.10 0.31 -0.75 4.36 2.02 2o7pA1 GLN 221 HB2 -2.81 0.05 0.11 -0.04 2.15 -0.54 2o7pA1 GLN 221 HB3 -0.92 -0.04 0.12 -0.04 2.02 1.14 2o7pA1 GLN 221 HG2 -0.48 -0.02 -0.05 -0.04 2.40 1.81 2o7pA1 GLN 221 HG3 -0.56 0.05 -0.21 -0.04 2.39 1.63 2o7pA1 GLN 221 HE21 -0.01 -0.05 0.00 -0.04 6.97 6.86 2o7pA1 GLN 221 HE22 -0.22 0.00 -0.00 -0.04 7.69 7.43 2o7pA1 GLN 222 H -0.29 0.02 -0.49 -0.55 8.47 7.16 2o7pA1 GLN 222 HA -0.21 0.18 0.63 -0.75 4.36 4.20 2o7pA1 GLN 222 HB2 -0.11 0.02 0.09 -0.04 2.15 2.11 2o7pA1 GLN 222 HB3 -0.16 -0.07 0.01 -0.04 2.02 1.76 2o7pA1 GLN 222 HG2 -0.06 0.09 -0.30 -0.04 2.40 2.09 2o7pA1 GLN 222 HG3 -0.07 -0.02 -0.05 -0.04 2.39 2.22 2o7pA1 GLN 222 HE21 -0.04 0.01 -0.02 -0.04 6.97 6.87 2o7pA1 GLN 222 HE22 -0.04 0.01 -0.04 -0.04 7.69 7.58 2o7pA1 ASN 223 H -0.10 0.42 -0.13 -0.55 8.53 8.18 2o7pA1 ASN 223 HA 0.02 0.08 0.56 -0.75 4.76 4.68 2o7pA1 ASN 223 HB2 0.21 0.08 0.04 -0.04 2.88 3.17 2o7pA1 ASN 223 HB3 0.16 0.01 0.10 -0.04 2.79 3.02 2o7pA1 ASN 223 HD21 0.04 -0.03 0.01 -0.04 7.03 7.01 2o7pA1 ASN 223 HD22 0.10 -0.00 0.03 -0.04 7.74 7.83 2o7pA1 LEU 224 H -0.18 0.10 -0.79 -0.55 8.37 6.95 2o7pA1 LEU 224 HA -0.28 -0.03 0.13 -0.75 4.35 3.41 2o7pA1 LEU 224 HB2 -0.38 0.16 0.08 -0.04 1.64 1.46 2o7pA1 LEU 224 HB3 -0.15 -0.03 0.07 -0.04 1.64 1.48 2o7pA1 LEU 224 HG -0.12 -0.13 -0.01 -0.04 1.64 1.34 2o7pA1 LEU 224 HD13 -0.04 0.01 -0.11 -0.04 0.93 0.75 2o7pA1 LEU 224 HD23 -0.32 0.01 -0.09 -0.04 0.89 0.45 2o7pA1 ARG 225 H 0.31 0.18 0.16 -0.55 8.46 8.55 2o7pA1 ARG 225 HA 0.08 0.06 0.96 -0.75 4.34 4.69 2o7pA1 ARG 225 HB2 0.14 0.03 0.08 -0.04 1.90 2.11 2o7pA1 ARG 225 HB3 0.25 0.10 0.25 -0.04 1.80 2.36 2o7pA1 ARG 225 HG2 0.11 0.06 -0.39 -0.04 1.67 1.41 2o7pA1 ARG 225 HG3 0.10 -0.08 0.01 -0.04 1.67 1.66 2o7pA1 ARG 225 HD2 0.11 -0.04 0.00 -0.04 3.22 3.24 2o7pA1 ARG 225 HD3 0.16 0.26 0.23 -0.04 3.22 3.83 2o7pA1 GLN 226 H 0.05 0.10 0.10 -0.55 8.47 8.17 2o7pA1 GLN 226 HA 0.04 0.03 0.53 -0.75 4.36 4.20 2o7pA1 GLN 226 HB2 0.02 -0.08 0.06 -0.04 2.15 2.10 2o7pA1 GLN 226 HB3 0.01 -0.00 0.11 -0.04 2.02 2.10 2o7pA1 GLN 226 HG2 0.00 0.22 0.02 -0.04 2.40 2.61 2o7pA1 GLN 226 HG3 0.00 0.12 0.05 -0.04 2.39 2.52 2o7pA1 GLN 226 HE21 -0.00 0.03 0.01 -0.04 6.97 6.97 2o7pA1 GLN 226 HE22 -0.00 0.00 -0.02 -0.04 7.69 7.62 2o7pA1 PRO 227 HA 0.01 0.20 0.46 -0.51 4.44 4.59 2o7pA1 PRO 227 HB2 -0.01 -0.13 -0.13 -0.04 2.28 1.97 2o7pA1 PRO 227 HB3 -0.00 0.08 -0.24 -0.04 2.02 1.82 2o7pA1 PRO 227 HG2 -0.00 -0.12 -0.08 -0.04 2.03 1.78 2o7pA1 PRO 227 HG3 0.04 0.29 0.05 -0.04 2.03 2.37 2o7pA1 PRO 227 HD2 0.01 -0.13 0.20 -0.04 3.68 3.73 2o7pA1 PRO 227 HD3 0.06 0.27 0.34 -0.04 3.65 4.28 2o7pA1 ILE 228 H -0.14 0.54 0.41 -0.55 8.25 8.51 2o7pA1 ILE 228 HA -0.29 0.13 0.48 -0.75 4.18 3.75 2o7pA1 ILE 228 HB -0.56 -0.05 0.12 -0.04 1.89 1.36 2o7pA1 ILE 228 HG12 -0.39 -0.05 0.04 -0.04 1.49 1.04 2o7pA1 ILE 228 HG13 -0.19 0.10 0.09 -0.04 1.21 1.17 2o7pA1 ILE 228 HG23 -1.59 -0.03 -0.30 -0.04 0.93 -1.03 2o7pA1 ILE 228 HD13 -0.51 -0.01 -0.03 -0.04 0.88 0.28 2o7pA1 ARG 229 H -0.26 0.54 0.30 -0.55 8.46 8.49 2o7pA1 ARG 229 HA -0.12 0.14 0.78 -0.75 4.34 4.39 2o7pA1 ARG 229 HB2 -0.13 -0.02 0.26 -0.04 1.90 1.97 2o7pA1 ARG 229 HB3 -0.09 -0.12 0.02 -0.04 1.80 1.58 2o7pA1 ARG 229 HG2 -0.02 0.00 0.05 -0.04 1.67 1.65 2o7pA1 ARG 229 HG3 -0.07 0.17 0.06 -0.04 1.67 1.79 2o7pA1 ARG 229 HD2 -0.03 -0.05 0.05 -0.04 3.22 3.14 2o7pA1 ARG 229 HD3 -0.00 0.06 0.00 -0.04 3.22 3.24 2o7pA1 ILE 230 H -0.12 0.89 0.45 -0.55 8.25 8.93 2o7pA1 ILE 230 HA -0.10 0.28 1.27 -0.75 4.18 4.88 2o7pA1 ILE 230 HB -0.03 -0.12 0.10 -0.04 1.89 1.80 2o7pA1 ILE 230 HG12 -0.12 0.03 -0.17 -0.04 1.49 1.18 2o7pA1 ILE 230 HG13 -0.26 0.12 -0.19 -0.04 1.21 0.84 2o7pA1 ILE 230 HG23 0.08 -0.02 -0.15 -0.04 0.93 0.79 2o7pA1 ILE 230 HD13 -0.04 -0.02 -0.13 -0.04 0.88 0.65 2o7pA1 VAL 231 H -0.20 0.68 0.28 -0.55 8.24 8.45 2o7pA1 VAL 231 HA -0.01 0.32 1.21 -0.75 4.13 4.90 2o7pA1 VAL 231 HB -0.38 0.04 0.05 -0.04 2.12 1.78 2o7pA1 VAL 231 HG13 0.23 -0.06 -0.43 -0.04 0.97 0.67 2o7pA1 VAL 231 HG23 -0.07 0.01 -0.21 -0.04 0.95 0.64 2o7pA1 ILE 232 H 0.04 0.53 0.32 -0.55 8.25 8.59 2o7pA1 ILE 232 HA 0.07 0.16 0.80 -0.75 4.18 4.46 2o7pA1 ILE 232 HB 0.03 -0.13 0.19 -0.04 1.89 1.94 2o7pA1 ILE 232 HG12 0.03 0.07 -0.03 -0.04 1.49 1.52 2o7pA1 ILE 232 HG13 0.02 0.06 -0.08 -0.04 1.21 1.17 2o7pA1 ILE 232 HG23 0.03 -0.03 -0.11 -0.04 0.93 0.78 2o7pA1 ILE 232 HD13 -0.00 -0.00 -0.06 -0.04 0.88 0.77 2o7pA1 ASP 233 H 0.10 0.69 0.26 -0.55 8.40 8.90 2o7pA1 ASP 233 HA 0.05 -0.10 0.03 -0.75 4.63 3.86 2o7pA1 ASP 233 HB2 0.04 -0.20 0.07 -0.04 2.71 2.58 2o7pA1 ASP 233 HB3 0.06 0.08 0.46 -0.04 2.70 3.27 2o7pA1 SER 234 H 0.05 0.13 0.15 -0.55 8.46 8.25 2o7pA1 SER 234 HA 0.04 0.02 0.52 -0.75 4.49 4.31 2o7pA1 SER 234 HB2 0.05 0.08 0.04 -0.04 3.95 4.08 2o7pA1 SER 234 HB3 0.05 0.08 0.14 -0.04 3.93 4.16 2o7pA1 GLN 235 H 0.03 -0.01 -0.18 -0.55 8.47 7.77 2o7pA1 GLN 235 HA 0.02 0.20 0.29 -0.75 4.36 4.12 2o7pA1 GLN 235 HB2 0.03 -0.10 0.03 -0.04 2.15 2.07 2o7pA1 GLN 235 HB3 0.02 0.10 0.09 -0.04 2.02 2.20 2o7pA1 GLN 235 HG2 0.02 0.09 -0.01 -0.04 2.40 2.46 2o7pA1 GLN 235 HG3 0.03 -0.10 0.01 -0.04 2.39 2.29 2o7pA1 GLN 235 HE21 0.02 0.01 0.00 -0.04 6.97 6.97 2o7pA1 GLN 235 HE22 0.02 0.04 0.01 -0.04 7.69 7.72 2o7pA1 ASN 236 H 0.01 0.24 -0.49 -0.55 8.53 7.75 2o7pA1 ASN 236 HA -0.03 0.03 0.29 -0.75 4.76 4.29 2o7pA1 ASN 236 HB2 0.02 0.09 -0.01 -0.04 2.88 2.94 2o7pA1 ASN 236 HB3 0.03 0.01 0.18 -0.04 2.79 2.97 2o7pA1 ASN 236 HD21 0.02 0.54 -0.01 -0.04 7.03 7.53 2o7pA1 ASN 236 HD22 0.03 -0.07 -0.03 -0.04 7.74 7.62 2o7pA1 ARG 237 H 0.01 -0.11 -0.19 -0.55 8.46 7.62 2o7pA1 ARG 237 HA 0.03 0.24 0.61 -0.75 4.34 4.47 2o7pA1 ARG 237 HB2 0.02 -0.11 -0.00 -0.04 1.90 1.77 2o7pA1 ARG 237 HB3 0.03 0.03 -0.01 -0.04 1.80 1.82 2o7pA1 ARG 237 HG2 0.03 0.05 -0.03 -0.04 1.67 1.68 2o7pA1 ARG 237 HG3 0.02 0.12 -0.23 -0.04 1.67 1.55 2o7pA1 ARG 237 HD2 0.03 -0.00 -0.02 -0.04 3.22 3.19 2o7pA1 ARG 237 HD3 0.03 -0.13 -0.03 -0.04 3.22 3.05 2o7pA1 VAL 238 H -0.02 -0.05 -0.05 -0.55 8.24 7.56 2o7pA1 VAL 238 HA -0.19 0.06 0.44 -0.75 4.13 3.68 2o7pA1 VAL 238 HB -0.09 0.03 -0.07 -0.04 2.12 1.95 2o7pA1 VAL 238 HG13 0.02 0.05 -0.09 -0.04 0.97 0.91 2o7pA1 VAL 238 HG23 0.05 -0.02 0.01 -0.04 0.95 0.94 2o7pA1 THR 239 H 0.07 0.08 0.17 -0.55 8.28 8.05 2o7pA1 THR 239 HA 0.01 0.32 0.85 -0.75 4.39 4.82 2o7pA1 THR 239 HB 0.00 0.05 0.09 -0.04 4.32 4.42 2o7pA1 THR 239 HG23 0.11 0.04 -0.12 -0.04 1.22 1.21 2o7pA1 PRO 240 HA -0.04 0.13 0.39 -0.51 4.44 4.40 2o7pA1 PRO 240 HB2 -0.26 -0.03 -0.02 -0.04 2.28 1.94 2o7pA1 PRO 240 HB3 -0.42 0.15 0.16 -0.04 2.02 1.86 2o7pA1 PRO 240 HG2 -0.61 0.02 0.05 -0.04 2.03 1.45 2o7pA1 PRO 240 HG3 -1.81 0.10 -0.01 -0.04 2.03 0.28 2o7pA1 PRO 240 HD2 -0.28 0.06 0.16 -0.04 3.68 3.59 2o7pA1 PRO 240 HD3 -0.58 0.17 0.19 -0.04 3.65 3.39 2o7pA1 VAL 241 H 0.04 -0.05 -0.59 -0.55 8.24 7.09 2o7pA1 VAL 241 HA 0.02 0.23 0.64 -0.75 4.13 4.27 2o7pA1 VAL 241 HB -0.04 -0.04 -0.03 -0.04 2.12 1.96 2o7pA1 VAL 241 HG13 -0.07 -0.02 -0.13 -0.04 0.97 0.71 2o7pA1 VAL 241 HG23 -0.03 0.01 0.02 -0.04 0.95 0.92 2o7pA1 HIS 242 H 0.31 0.34 -0.16 -0.55 8.41 8.35 2o7pA1 HIS 242 HA 0.07 0.06 0.40 -0.75 4.63 4.41 2o7pA1 HIS 242 HB2 0.20 0.19 0.12 -0.04 3.26 3.73 2o7pA1 HIS 242 HB3 0.14 -0.08 0.01 -0.04 3.20 3.23 2o7pA1 HIS 242 HD2 0.09 0.07 -0.01 -0.04 6.97 7.07 2o7pA1 HIS 242 HE1 0.06 0.08 0.05 -0.04 7.75 7.89 2o7pA1 ARG 243 H 0.13 0.14 0.15 -0.55 8.46 8.32 2o7pA1 ARG 243 HA 0.07 0.09 0.22 -0.75 4.34 3.96 2o7pA1 ARG 243 HB2 0.06 0.22 -0.07 -0.04 1.90 2.07 2o7pA1 ARG 243 HB3 0.04 -0.05 -0.03 -0.04 1.80 1.72 2o7pA1 ARG 243 HG2 0.02 -0.03 0.05 -0.04 1.67 1.67 2o7pA1 ARG 243 HG3 0.02 -0.08 0.12 -0.04 1.67 1.69 2o7pA1 ARG 243 HD2 -0.01 -0.09 0.07 -0.04 3.22 3.16 2o7pA1 ARG 243 HD3 0.01 0.65 0.17 -0.04 3.22 4.00 2o7pA1 ILE 244 H 0.18 -0.04 -0.34 -0.55 8.25 7.49 2o7pA1 ILE 244 HA 0.07 0.14 0.19 -0.75 4.18 3.83 2o7pA1 ILE 244 HB 0.11 0.02 -0.03 -0.04 1.89 1.95 2o7pA1 ILE 244 HG12 0.01 0.06 -0.06 -0.04 1.49 1.46 2o7pA1 ILE 244 HG13 0.04 0.16 -0.11 -0.04 1.21 1.26 2o7pA1 ILE 244 HG23 0.19 -0.03 -0.26 -0.04 0.93 0.78 2o7pA1 ILE 244 HD13 0.02 -0.04 -0.17 -0.04 0.88 0.65 2o7pA1 VAL 245 H 0.20 0.38 -0.47 -0.55 8.24 7.81 2o7pA1 VAL 245 HA 0.14 0.31 1.02 -0.75 4.13 4.84 2o7pA1 VAL 245 HB 0.33 -0.02 0.11 -0.04 2.12 2.49 2o7pA1 VAL 245 HG13 0.45 -0.04 -0.21 -0.04 0.97 1.13 2o7pA1 VAL 245 HG23 0.37 -0.00 -0.10 -0.04 0.95 1.18 2o7pA1 GLN 246 H 0.10 0.52 -0.13 -0.55 8.47 8.42 2o7pA1 GLN 246 HA 0.09 0.11 0.66 -0.75 4.36 4.46 2o7pA1 GLN 246 HB2 0.06 0.08 0.07 -0.04 2.15 2.32 2o7pA1 GLN 246 HB3 0.05 -0.10 0.11 -0.04 2.02 2.04 2o7pA1 GLN 246 HG2 0.07 -0.06 -0.05 -0.04 2.40 2.32 2o7pA1 GLN 246 HG3 0.11 0.01 -0.23 -0.04 2.39 2.23 2o7pA1 GLN 246 HE21 0.02 -0.01 -0.02 -0.04 6.97 6.92 2o7pA1 GLN 246 HE22 0.04 -0.02 -0.02 -0.04 7.69 7.65 2o7pA1 GLN 247 H 0.06 0.12 -0.31 -0.55 8.47 7.80 2o7pA1 GLN 247 HA 0.03 -0.01 0.45 -0.75 4.36 4.07 2o7pA1 GLN 247 HB2 0.02 0.16 -0.08 -0.04 2.15 2.22 2o7pA1 GLN 247 HB3 0.02 -0.03 0.05 -0.04 2.02 2.02 2o7pA1 GLN 247 HG2 0.05 0.03 0.00 -0.04 2.40 2.44 2o7pA1 GLN 247 HG3 0.02 0.15 -0.00 -0.04 2.39 2.52 2o7pA1 GLN 247 HE21 0.02 -0.11 -0.06 -0.04 6.97 6.77 2o7pA1 GLN 247 HE22 0.04 0.37 -0.02 -0.04 7.69 8.04 2o7pA1 PRO 248 HA 0.03 0.01 0.59 -0.51 4.44 4.56 2o7pA1 PRO 248 HB2 0.01 0.05 0.01 -0.04 2.28 2.30 2o7pA1 PRO 248 HB3 0.01 -0.03 0.14 -0.04 2.02 2.09 2o7pA1 PRO 248 HG2 0.00 0.04 0.10 -0.04 2.03 2.12 2o7pA1 PRO 248 HG3 -0.00 -0.02 0.09 -0.04 2.03 2.06 2o7pA1 PRO 248 HD2 0.01 0.02 0.24 -0.04 3.68 3.90 2o7pA1 PRO 248 HD3 0.01 0.10 0.17 -0.04 3.65 3.89 2o7pA1 GLY 249 H 0.03 -0.02 0.10 -0.55 8.43 8.00 2o7pA1 GLY 249 HA2 0.02 -0.08 0.39 -0.51 4.01 3.83 2o7pA1 GLY 249 HA3 0.00 0.27 0.76 -0.51 4.01 4.54 2o7pA1 GLU 250 H -0.00 0.08 0.17 -0.55 8.60 8.30 2o7pA1 GLU 250 HA 0.09 0.21 0.60 -0.75 4.29 4.43 2o7pA1 GLU 250 HB2 -0.06 -0.04 0.13 -0.04 2.09 2.08 2o7pA1 GLU 250 HB3 0.23 0.01 0.01 -0.04 1.99 2.21 2o7pA1 GLU 250 HG2 0.18 0.05 0.07 -0.04 2.34 2.60 2o7pA1 GLU 250 HG3 0.11 -0.07 0.09 -0.04 2.34 2.43 2o7pA1 THR 251 H 0.10 0.56 0.40 -0.55 8.28 8.80 2o7pA1 THR 251 HA -0.18 0.17 0.73 -0.75 4.39 4.35 2o7pA1 THR 251 HB -0.11 0.09 0.17 -0.04 4.32 4.43 2o7pA1 THR 251 HG23 0.05 0.03 -0.03 -0.04 1.22 1.22 2o7pA1 TRP 252 H -0.14 0.99 0.39 -0.55 7.97 8.66 2o7pA1 TRP 252 HA -0.20 0.27 1.19 -0.75 4.62 5.13 2o7pA1 TRP 252 HB2 -0.14 -0.03 0.07 -0.04 3.23 3.09 2o7pA1 TRP 252 HB3 -0.11 -0.04 -0.16 -0.04 3.23 2.88 2o7pA1 TRP 252 HD1 -0.09 0.13 -0.63 -0.04 7.22 6.59 2o7pA1 TRP 252 HE1 -0.03 0.01 -0.11 -0.04 10.20 10.03 2o7pA1 TRP 252 HE3 -0.07 -0.07 -0.14 -0.04 7.59 7.26 2o7pA1 TRP 252 HZ2 -0.03 0.02 -0.06 -0.04 7.44 7.34 2o7pA1 TRP 252 HZ3 -0.07 -0.01 -0.09 -0.04 7.13 6.92 2o7pA1 TRP 252 HH2 -0.07 0.17 -0.06 -0.04 7.19 7.19 2o7pA1 PHE 253 H 0.03 0.74 0.41 -0.55 8.34 8.97 2o7pA1 PHE 253 HA -0.02 0.27 1.10 -0.75 4.62 5.22 2o7pA1 PHE 253 HB2 -0.24 -0.00 0.11 -0.04 3.15 2.98 2o7pA1 PHE 253 HB3 -0.13 -0.04 -0.10 -0.04 3.06 2.75 2o7pA1 PHE 253 HD2 -0.33 0.05 -0.11 -0.04 7.28 6.86 2o7pA1 PHE 253 HE2 -0.32 -0.03 -0.16 -0.04 7.38 6.83 2o7pA1 PHE 253 HZ 0.00 -0.01 -0.21 -0.04 7.32 7.06 2o7pA1 ALA 254 H 0.11 0.50 0.26 -0.55 8.40 8.72 2o7pA1 ALA 254 HA 0.04 0.25 0.87 -0.75 4.34 4.75 2o7pA1 ALA 254 HB3 0.05 -0.03 0.05 -0.04 1.41 1.44 2o7pA1 ARG 255 H 0.02 0.97 0.36 -0.55 8.46 9.26 2o7pA1 ARG 255 HA 0.03 0.21 1.01 -0.75 4.34 4.84 2o7pA1 ARG 255 HB2 -0.00 -0.04 -0.24 -0.04 1.90 1.58 2o7pA1 ARG 255 HB3 -0.00 -0.01 0.03 -0.04 1.80 1.78 2o7pA1 ARG 255 HG2 0.03 -0.03 -0.45 -0.04 1.67 1.19 2o7pA1 ARG 255 HG3 0.00 0.10 -0.16 -0.04 1.67 1.56 2o7pA1 ARG 255 HD2 -0.09 0.03 -0.07 -0.04 3.22 3.05 2o7pA1 ARG 255 HD3 -0.03 -0.01 -0.11 -0.04 3.22 3.02 2o7pA1 THR 256 H 0.02 0.20 0.27 -0.55 8.28 8.22 2o7pA1 THR 256 HA 0.02 0.34 0.76 -0.75 4.39 4.75 2o7pA1 THR 256 HB 0.03 -0.18 0.17 -0.04 4.32 4.30 2o7pA1 THR 256 HG23 0.02 0.06 0.01 -0.04 1.22 1.27 2o7pA1 GLN 257 H 0.01 0.10 0.08 -0.55 8.47 8.11 2o7pA1 GLN 257 HA 0.01 0.07 0.33 -0.75 4.36 4.01 2o7pA1 GLN 257 HB2 0.01 0.00 0.04 -0.04 2.15 2.17 2o7pA1 GLN 257 HB3 0.01 0.10 -0.09 -0.04 2.02 2.00 2o7pA1 GLN 257 HG2 0.01 -0.05 0.01 -0.04 2.40 2.33 2o7pA1 GLN 257 HG3 0.01 0.10 -0.21 -0.04 2.39 2.26 2o7pA1 GLN 257 HE21 0.01 -0.03 -0.03 -0.04 6.97 6.87 2o7pA1 GLN 257 HE22 0.01 0.03 -0.05 -0.04 7.69 7.64 2o7pA1 GLU 258 H 0.01 0.12 0.03 -0.55 8.60 8.21 2o7pA1 GLU 258 HA 0.01 -0.01 0.21 -0.75 4.29 3.74 2o7pA1 GLU 258 HB2 0.01 -0.03 0.10 -0.04 2.09 2.13 2o7pA1 GLU 258 HB3 0.02 -0.02 0.04 -0.04 1.99 1.99 2o7pA1 GLU 258 HG2 0.03 0.18 -0.11 -0.04 2.34 2.41 2o7pA1 GLU 258 HG3 0.01 -0.01 -0.01 -0.04 2.34 2.28 2o7pA1 ASP 259 H 0.03 0.08 0.15 -0.55 8.40 8.11 2o7pA1 ASP 259 HA 0.07 0.07 0.73 -0.75 4.63 4.74 2o7pA1 ASP 259 HB2 0.06 0.01 0.11 -0.04 2.71 2.86 2o7pA1 ASP 259 HB3 0.10 0.00 0.10 -0.04 2.70 2.87 2o7pA1 SER 260 H 0.07 0.05 0.15 -0.55 8.46 8.19 2o7pA1 SER 260 HA 0.09 0.20 0.33 -0.75 4.49 4.35 2o7pA1 SER 260 HB2 0.03 -0.04 0.07 -0.04 3.95 3.96 2o7pA1 SER 260 HB3 0.03 0.00 0.02 -0.04 3.93 3.94 2o7pA1 ARG 261 H 0.03 -0.03 0.03 -0.55 8.46 7.94 2o7pA1 ARG 261 HA -0.08 -0.05 0.45 -0.75 4.34 3.90 2o7pA1 ARG 261 HB2 -0.29 0.02 -0.14 -0.04 1.90 1.45 2o7pA1 ARG 261 HB3 -0.47 0.11 -0.09 -0.04 1.80 1.31 2o7pA1 ARG 261 HG2 -0.13 -0.02 0.07 -0.04 1.67 1.56 2o7pA1 ARG 261 HG3 -0.05 -0.10 0.08 -0.04 1.67 1.57 2o7pA1 ARG 261 HD2 -0.46 0.04 -0.01 -0.04 3.22 2.75 2o7pA1 ARG 261 HD3 -0.16 -0.03 0.02 -0.04 3.22 3.02 2o7pA1 GLU 262 H -0.13 0.02 0.15 -0.55 8.60 8.09 2o7pA1 GLU 262 HA 0.02 0.11 0.66 -0.75 4.29 4.33 2o7pA1 GLU 262 HB2 -0.10 -0.07 0.15 -0.04 2.09 2.03 2o7pA1 GLU 262 HB3 -0.03 0.08 0.01 -0.04 1.99 2.00 2o7pA1 GLU 262 HG2 0.01 0.06 0.06 -0.04 2.34 2.43 2o7pA1 GLU 262 HG3 -0.03 -0.04 0.09 -0.04 2.34 2.33 2o7pA1 TRP 263 H 0.28 0.20 0.21 -0.55 7.97 8.11 2o7pA1 TRP 263 HA 0.05 0.15 0.87 -0.75 4.62 4.93 2o7pA1 TRP 263 HB2 0.07 0.06 0.04 -0.04 3.23 3.36 2o7pA1 TRP 263 HB3 0.11 0.03 0.11 -0.04 3.23 3.44 2o7pA1 TRP 263 HD1 0.02 0.11 -0.06 -0.04 7.22 7.25 2o7pA1 TRP 263 HE1 -0.06 -0.04 -0.22 -0.04 10.20 9.85 2o7pA1 TRP 263 HE3 0.15 0.09 -0.03 -0.04 7.59 7.76 2o7pA1 TRP 263 HZ2 -0.23 -0.02 -0.13 -0.04 7.44 7.01 2o7pA1 TRP 263 HZ3 0.10 0.04 -0.42 -0.04 7.13 6.81 2o7pA1 TRP 263 HH2 -0.30 0.07 -0.49 -0.04 7.19 6.43 2o7pA1 PRO 264 HA 0.12 0.08 0.52 -0.51 4.44 4.65 2o7pA1 PRO 264 HB2 0.13 -0.07 0.11 -0.04 2.28 2.40 2o7pA1 PRO 264 HB3 0.11 0.04 0.14 -0.04 2.02 2.27 2o7pA1 PRO 264 HG2 0.23 0.03 0.06 -0.04 2.03 2.31 2o7pA1 PRO 264 HG3 0.19 0.20 0.09 -0.04 2.03 2.47 2o7pA1 PRO 264 HD2 0.55 0.08 0.21 -0.04 3.68 4.48 2o7pA1 PRO 264 HD3 0.25 0.16 0.18 -0.04 3.65 4.19 2o7pA1 GLU 265 H 0.09 0.11 0.17 -0.55 8.60 8.42 2o7pA1 GLU 265 HA 0.10 0.16 0.49 -0.75 4.29 4.28 2o7pA1 GLU 265 HB2 0.06 -0.04 0.16 -0.04 2.09 2.24 2o7pA1 GLU 265 HB3 0.07 0.02 0.06 -0.04 1.99 2.09 2o7pA1 GLU 265 HG2 0.06 0.05 0.14 -0.04 2.34 2.54 2o7pA1 GLU 265 HG3 0.06 -0.00 0.10 -0.04 2.34 2.45 2o7pA1 THR 266 H 0.12 0.06 -0.40 -0.55 8.28 7.51 2o7pA1 THR 266 HA 0.10 0.19 0.66 -0.75 4.39 4.58 2o7pA1 THR 266 HB 0.09 -0.04 0.01 -0.04 4.32 4.34 2o7pA1 THR 266 HG23 0.08 -0.03 -0.07 -0.04 1.22 1.16 2o7pA1 VAL 267 H 0.15 0.31 -0.37 -0.55 8.24 7.77 2o7pA1 VAL 267 HA 0.12 0.36 1.09 -0.75 4.13 4.95 2o7pA1 VAL 267 HB 0.24 0.02 0.08 -0.04 2.12 2.41 2o7pA1 VAL 267 HG13 -0.10 -0.02 -0.13 -0.04 0.97 0.69 2o7pA1 VAL 267 HG23 0.26 -0.02 -0.04 -0.04 0.95 1.11 2o7pA1 ARG 268 H 0.10 0.57 0.39 -0.55 8.46 8.97 2o7pA1 ARG 268 HA -0.07 0.16 0.90 -0.75 4.34 4.58 2o7pA1 ARG 268 HB2 -0.42 0.00 0.03 -0.04 1.90 1.47 2o7pA1 ARG 268 HB3 -0.39 0.01 -0.09 -0.04 1.80 1.29 2o7pA1 ARG 268 HG2 -0.14 -0.00 0.01 -0.04 1.67 1.50 2o7pA1 ARG 268 HG3 -0.04 0.04 -0.21 -0.04 1.67 1.41 2o7pA1 ARG 268 HD2 -0.19 -0.00 -0.05 -0.04 3.22 2.94 2o7pA1 ARG 268 HD3 -0.56 0.01 -0.08 -0.04 3.22 2.55 2o7pA1 THR 269 H -0.11 0.20 0.16 -0.55 8.28 7.98 2o7pA1 THR 269 HA -0.04 0.21 1.08 -0.75 4.39 4.88 2o7pA1 THR 269 HB -0.04 0.01 0.09 -0.04 4.32 4.34 2o7pA1 THR 269 HG23 -0.11 0.01 -0.12 -0.04 1.22 0.96 2o7pA1 LEU 270 H -0.04 0.80 0.30 -0.55 8.37 8.88 2o7pA1 LEU 270 HA -0.11 0.15 0.86 -0.75 4.35 4.49 2o7pA1 LEU 270 HB2 -0.02 -0.06 0.07 -0.04 1.64 1.58 2o7pA1 LEU 270 HB3 -0.06 0.07 -0.13 -0.04 1.64 1.48 2o7pA1 LEU 270 HG -0.26 -0.04 -0.27 -0.04 1.64 1.03 2o7pA1 LEU 270 HD13 -0.03 0.01 -0.17 -0.04 0.93 0.69 2o7pA1 LEU 270 HD23 -0.29 0.05 -0.08 -0.04 0.89 0.52 2o7pA1 LEU 271 H -0.05 0.18 0.05 -0.55 8.37 8.00 2o7pA1 LEU 271 HA -0.01 0.20 0.74 -0.75 4.35 4.53 2o7pA1 LEU 271 HB2 -0.03 0.00 0.12 -0.04 1.64 1.68 2o7pA1 LEU 271 HB3 -0.02 0.03 -0.12 -0.04 1.64 1.50 2o7pA1 LEU 271 HG -0.02 -0.04 -0.21 -0.04 1.64 1.33 2o7pA1 LEU 271 HD13 -0.02 -0.01 -0.04 -0.04 0.93 0.83 2o7pA1 LEU 271 HD23 -0.00 -0.02 -0.25 -0.04 0.89 0.58 2o7pA1 ILE 272 H 0.00 0.68 0.28 -0.55 8.25 8.67 2o7pA1 ILE 272 HA -0.01 0.24 0.87 -0.75 4.18 4.53 2o7pA1 ILE 272 HB 0.01 -0.05 -0.08 -0.04 1.89 1.73 2o7pA1 ILE 272 HG12 0.00 -0.08 -0.26 -0.04 1.49 1.12 2o7pA1 ILE 272 HG13 -0.01 0.12 -0.23 -0.04 1.21 1.04 2o7pA1 ILE 272 HG23 0.02 0.01 -0.23 -0.04 0.93 0.68 2o7pA1 ILE 272 HD13 -0.01 0.04 -0.62 -0.04 0.88 0.25 2o7pA1 PRO 273 HA 0.02 0.04 0.54 -0.51 4.44 4.53 2o7pA1 PRO 273 HB2 0.02 0.07 -0.05 -0.04 2.28 2.28 2o7pA1 PRO 273 HB3 0.01 0.02 0.12 -0.04 2.02 2.13 2o7pA1 PRO 273 HG2 -0.01 -0.02 0.07 -0.04 2.03 2.03 2o7pA1 PRO 273 HG3 -0.01 0.07 0.08 -0.04 2.03 2.12 2o7pA1 PRO 273 HD2 -0.01 0.13 0.20 -0.04 3.68 3.96 2o7pA1 PRO 273 HD3 -0.01 0.17 0.10 -0.04 3.65 3.88 2o7pA1 GLU 274 H 0.04 0.11 0.17 -0.55 8.60 8.38 2o7pA1 GLU 274 HA 0.08 0.05 0.51 -0.75 4.29 4.17 2o7pA1 GLU 274 HB2 0.04 0.05 0.07 -0.04 2.09 2.21 2o7pA1 GLU 274 HB3 0.04 -0.03 -0.06 -0.04 1.99 1.90 2o7pA1 GLU 274 HG2 0.04 -0.10 -0.48 -0.04 2.34 1.76 2o7pA1 GLU 274 HG3 0.06 -0.09 -0.27 -0.04 2.34 1.99 2o7pA1 HIS 275 H 0.14 0.65 -0.02 -0.55 8.41 8.63 2o7pA1 HIS 275 HA 0.02 0.07 0.68 -0.75 4.63 4.64 2o7pA1 HIS 275 HB2 0.03 0.08 -0.21 -0.04 3.26 3.12 2o7pA1 HIS 275 HB3 0.05 -0.02 -0.02 -0.04 3.20 3.17 2o7pA1 HIS 275 HD2 0.02 -0.02 0.04 -0.04 6.97 6.96 2o7pA1 HIS 275 HE1 0.02 0.04 -0.05 -0.04 7.75 7.72 2o7pA1 LYS 276 H -0.12 0.16 0.07 -0.55 8.42 7.98 2o7pA1 LYS 276 HA -0.13 0.02 0.32 -0.75 4.32 3.78 2o7pA1 GLY 277 H -0.07 0.06 -0.27 -0.55 8.43 7.60 2o7pA1 GLY 277 HA2 -0.11 -0.01 0.28 -0.51 4.01 3.66 2o7pA1 GLY 277 HA3 -0.31 0.18 0.52 -0.51 4.01 3.89 2o7pA1 HIS 278 H -0.01 0.43 -0.19 -0.55 8.41 8.09 2o7pA1 HIS 278 HA 0.01 0.17 0.90 -0.75 4.63 4.95 2o7pA1 HIS 278 HB2 0.01 -0.06 0.11 -0.04 3.26 3.29 2o7pA1 HIS 278 HB3 0.01 -0.01 0.03 -0.04 3.20 3.19 2o7pA1 HIS 278 HD2 -0.00 -0.06 -0.01 -0.04 6.97 6.86 2o7pA1 HIS 278 HE1 -0.03 0.06 0.06 -0.04 7.75 7.79 2o7pA1 LEU 279 H 0.12 0.00 0.12 -0.55 8.37 8.06 2o7pA1 LEU 279 HA 0.07 0.14 0.26 -0.75 4.35 4.06 2o7pA1 LEU 279 HB2 0.05 -0.10 0.05 -0.04 1.64 1.60 2o7pA1 LEU 279 HB3 0.03 -0.07 0.05 -0.04 1.64 1.61 2o7pA1 LEU 279 HG 0.03 0.15 -0.24 -0.04 1.64 1.55 2o7pA1 LEU 279 HD13 0.04 -0.04 -0.31 -0.04 0.93 0.57 2o7pA1 LEU 279 HD23 0.02 -0.01 -0.45 -0.04 0.89 0.42 2o7pA1 ASP 280 H 0.07 0.60 0.16 -0.55 8.40 8.68 2o7pA1 ASP 280 HA 0.11 0.06 0.38 -0.75 4.63 4.43 2o7pA1 ASP 280 HB2 0.09 0.07 -0.07 -0.04 2.71 2.75 2o7pA1 ASP 280 HB3 0.02 0.03 0.13 -0.04 2.70 2.85 2o7pA1 LEU 281 H 0.04 0.26 0.25 -0.55 8.37 8.38 2o7pA1 LEU 281 HA 0.02 0.01 0.25 -0.75 4.35 3.87 2o7pA1 LEU 281 HB2 0.02 -0.01 0.09 -0.04 1.64 1.70 2o7pA1 LEU 281 HB3 0.02 0.08 -0.10 -0.04 1.64 1.60 2o7pA1 LEU 281 HG -0.03 0.07 0.06 -0.04 1.64 1.70 2o7pA1 LEU 281 HD13 -0.04 -0.00 -0.10 -0.04 0.93 0.76 2o7pA1 LEU 281 HD23 -0.01 -0.02 -0.04 -0.04 0.89 0.79 2o7pA1 VAL 282 H 0.05 0.03 -0.25 -0.55 8.24 7.52 2o7pA1 VAL 282 HA 0.11 0.13 0.34 -0.75 4.13 3.97 2o7pA1 VAL 282 HB 0.03 -0.08 0.02 -0.04 2.12 2.06 2o7pA1 VAL 282 HG13 0.19 0.03 -0.08 -0.04 0.97 1.07 2o7pA1 VAL 282 HG23 0.07 0.01 -0.01 -0.04 0.95 0.98 2o7pA1 VAL 283 H -0.00 0.07 -0.19 -0.55 8.24 7.57 2o7pA1 VAL 283 HA -0.08 0.13 0.48 -0.75 4.13 3.90 2o7pA1 VAL 283 HB -0.02 0.02 0.05 -0.04 2.12 2.13 2o7pA1 VAL 283 HG13 -0.04 0.01 0.04 -0.04 0.97 0.93 2o7pA1 VAL 283 HG23 -0.04 -0.03 0.01 -0.04 0.95 0.85 2o7pA1 LEU 284 H -0.01 0.28 -0.45 -0.55 8.37 7.65 2o7pA1 LEU 284 HA -0.01 0.04 0.27 -0.75 4.35 3.90 2o7pA1 LEU 284 HB2 0.01 -0.08 -0.12 -0.04 1.64 1.41 2o7pA1 LEU 284 HB3 0.01 0.24 0.04 -0.04 1.64 1.89 2o7pA1 LEU 284 HG 0.03 0.04 -0.02 -0.04 1.64 1.65 2o7pA1 LEU 284 HD13 0.04 -0.01 -0.07 -0.04 0.93 0.85 2o7pA1 LEU 284 HD23 0.03 -0.04 -0.10 -0.04 0.89 0.74 2o7pA1 GLN 287 HA -0.06 -0.10 0.31 -0.75 4.36 3.75 2o7pA1 GLN 287 HB2 -0.06 0.33 -0.26 -0.04 2.15 2.13 2o7pA1 GLN 287 HB3 -0.03 0.01 -0.62 -0.04 2.02 1.35 2o7pA1 GLN 287 HG2 -0.05 -0.01 -0.15 -0.04 2.40 2.15 2o7pA1 GLN 287 HG3 -0.06 -0.05 -0.20 -0.04 2.39 2.04 2o7pA1 GLN 287 HE21 -0.05 -0.04 0.03 -0.04 6.97 6.86 2o7pA1 GLN 287 HE22 -0.05 0.06 0.01 -0.04 7.69 7.67 2o7pA1 LEU 288 H -0.01 0.86 0.98 -0.55 8.37 9.66 2o7pA1 LEU 288 HA 0.14 0.01 0.45 -0.75 4.35 4.20 2o7pA1 LEU 288 HB2 0.04 0.03 0.04 -0.04 1.64 1.72 2o7pA1 LEU 288 HB3 0.10 -0.06 -0.02 -0.04 1.64 1.62 2o7pA1 LEU 288 HG 0.08 0.16 0.10 -0.04 1.64 1.94 2o7pA1 LEU 288 HD13 0.06 -0.04 -0.06 -0.04 0.93 0.86 2o7pA1 LEU 288 HD23 0.30 -0.02 -0.08 -0.04 0.89 1.05 2o7pA1 GLY 289 H -0.04 0.19 -0.31 -0.55 8.43 7.72 2o7pA1 GLY 289 HA2 0.06 0.10 0.48 -0.51 4.01 4.13 2o7pA1 GLY 289 HA3 -0.02 0.29 0.24 -0.51 4.01 4.00 2o7pA1 LYS 290 H -0.04 0.14 -0.20 -0.55 8.42 7.77 2o7pA1 LYS 290 HA 0.00 0.07 0.53 -0.75 4.32 4.16 2o7pA1 LYS 290 HB2 -0.04 0.14 0.16 -0.04 1.87 2.09 2o7pA1 LYS 290 HB3 -0.02 -0.07 0.02 -0.04 1.79 1.68 2o7pA1 LYS 290 HG2 -0.02 -0.05 0.08 -0.04 1.46 1.43 2o7pA1 LYS 290 HG3 -0.04 0.03 0.07 -0.04 1.46 1.47 2o7pA1 LYS 290 HD2 -0.06 0.08 0.10 -0.04 1.69 1.77 2o7pA1 LYS 290 HD3 -0.04 -0.06 0.04 -0.04 1.68 1.59 2o7pA1 LYS 290 HE2 -0.04 -0.06 0.04 -0.04 2.99 2.89 2o7pA1 LYS 290 HE3 -0.03 -0.04 0.04 -0.04 2.99 2.91 2o7pA1 GLN 291 H 0.04 0.32 -0.53 -0.55 8.47 7.76 2o7pA1 GLN 291 HA 0.04 0.09 0.65 -0.75 4.36 4.39 2o7pA1 GLN 291 HB2 0.01 0.10 0.04 -0.04 2.15 2.27 2o7pA1 GLN 291 HB3 0.24 -0.02 0.03 -0.04 2.02 2.23 2o7pA1 GLN 291 HG2 -0.38 -0.07 -0.02 -0.04 2.40 1.90 2o7pA1 GLN 291 HG3 -0.02 0.01 0.08 -0.04 2.39 2.42 2o7pA1 GLN 291 HE21 -0.14 -0.06 -0.05 -0.04 6.97 6.69 2o7pA1 GLN 291 HE22 -0.12 0.00 -0.02 -0.04 7.69 7.51 2o7pA1 GLN 292 H 0.09 0.40 -0.56 -0.55 8.47 7.86 2o7pA1 GLN 292 HA 0.15 0.15 0.23 -0.75 4.36 4.14 2o7pA1 GLN 292 HB2 0.20 0.13 -0.00 -0.04 2.15 2.44 2o7pA1 GLN 292 HB3 0.22 -0.06 0.18 -0.04 2.02 2.32 2o7pA1 GLN 292 HG2 0.12 0.04 -0.03 -0.04 2.40 2.49 2o7pA1 GLN 292 HG3 0.11 0.05 -0.32 -0.04 2.39 2.19 2o7pA1 GLN 292 HE21 0.09 -0.09 -0.02 -0.04 6.97 6.91 2o7pA1 GLN 292 HE22 0.08 0.03 -0.02 -0.04 7.69 7.75 2o7pA1 ILE 293 H 0.11 0.50 -0.08 -0.55 8.25 8.23 2o7pA1 ILE 293 HA -0.16 0.06 0.69 -0.75 4.18 4.02 2o7pA1 ILE 293 HB 0.05 -0.01 -0.13 -0.04 1.89 1.76 2o7pA1 ILE 293 HG12 0.16 0.14 -0.13 -0.04 1.49 1.62 2o7pA1 ILE 293 HG13 -0.06 -0.10 -0.10 -0.04 1.21 0.91 2o7pA1 ILE 293 HG23 -0.10 -0.05 -0.26 -0.04 0.93 0.49 2o7pA1 ILE 293 HD13 -0.55 0.02 -0.17 -0.04 0.88 0.14 2o7pA1 ASN 294 H 0.77 0.16 0.19 -0.55 8.53 9.09 2o7pA1 ASN 294 HA 0.25 0.22 0.42 -0.75 4.76 4.90 2o7pA1 ASN 294 HB2 0.45 -0.02 0.17 -0.04 2.88 3.44 2o7pA1 ASN 294 HB3 0.31 -0.21 0.00 -0.04 2.79 2.84 2o7pA1 ASN 294 HD21 0.25 0.57 -0.08 -0.04 7.03 7.73 2o7pA1 ASN 294 HD22 0.25 -0.08 -0.08 -0.04 7.74 7.80 2o7pA1 SER 295 H 0.21 0.11 0.08 -0.55 8.46 8.31 2o7pA1 SER 295 HA 0.21 0.25 0.94 -0.75 4.49 5.13 2o7pA1 SER 295 HB2 0.24 0.09 0.05 -0.04 3.95 4.28 2o7pA1 SER 295 HB3 0.21 -0.02 -0.14 -0.04 3.93 3.94 2o7pA1 ILE 296 H 0.17 0.64 0.24 -0.55 8.25 8.75 2o7pA1 ILE 296 HA 0.09 0.26 0.99 -0.75 4.18 4.76 2o7pA1 ILE 296 HB 0.07 0.01 -0.00 -0.04 1.89 1.93 2o7pA1 ILE 296 HG12 -0.00 0.02 -0.19 -0.04 1.49 1.27 2o7pA1 ILE 296 HG13 0.04 -0.05 -0.57 -0.04 1.21 0.58 2o7pA1 ILE 296 HG23 0.03 -0.02 -0.30 -0.04 0.93 0.60 2o7pA1 ILE 296 HD13 0.05 0.01 -0.18 -0.04 0.88 0.71 2o7pA1 TRP 297 H 0.28 0.78 0.32 -0.55 7.97 8.80 2o7pA1 TRP 297 HA 0.06 0.14 0.96 -0.75 4.62 5.02 2o7pA1 TRP 297 HB2 0.07 0.01 0.04 -0.04 3.23 3.32 2o7pA1 TRP 297 HB3 0.04 0.16 0.29 -0.04 3.23 3.68 2o7pA1 TRP 297 HD1 0.06 -0.05 -0.03 -0.04 7.22 7.16 2o7pA1 TRP 297 HE1 0.11 -0.06 -0.11 -0.04 10.20 10.10 2o7pA1 TRP 297 HE3 0.10 0.02 -0.12 -0.04 7.59 7.56 2o7pA1 TRP 297 HZ2 0.16 -0.05 -0.06 -0.04 7.44 7.45 2o7pA1 TRP 297 HZ3 0.10 -0.03 -0.12 -0.04 7.13 7.05 2o7pA1 TRP 297 HH2 0.22 -0.05 -0.09 -0.04 7.19 7.23 2o7pA1 VAL 298 H -0.35 0.83 0.43 -0.55 8.24 8.60 2o7pA1 VAL 298 HA -0.11 0.09 0.52 -0.75 4.13 3.87 2o7pA1 VAL 298 HB -0.26 -0.08 0.26 -0.04 2.12 1.99 2o7pA1 VAL 298 HG13 -0.12 -0.04 -0.18 -0.04 0.97 0.59 2o7pA1 VAL 298 HG23 -0.09 0.04 -0.08 -0.04 0.95 0.78 2o7pA1 GLU 299 H -0.04 0.81 0.38 -0.55 8.60 9.20 2o7pA1 GLU 299 HA -0.15 0.21 1.03 -0.75 4.29 4.62 2o7pA1 GLU 299 HB2 0.19 0.02 0.26 -0.04 2.09 2.52 2o7pA1 GLU 299 HB3 0.23 -0.08 0.10 -0.04 1.99 2.20 2o7pA1 GLU 299 HG2 0.16 0.06 -0.29 -0.04 2.34 2.23 2o7pA1 GLU 299 HG3 0.48 0.02 -0.02 -0.04 2.34 2.77 2o7pA1 ALA 300 H -0.17 0.40 0.13 -0.55 8.40 8.21 2o7pA1 ALA 300 HA -0.06 0.02 1.01 -0.75 4.34 4.55 2o7pA1 ALA 300 HB3 -0.08 -0.02 -0.02 -0.04 1.41 1.25 2o7pA1 GLY 301 H -0.09 -0.06 0.17 -0.55 8.43 7.91 2o7pA1 GLY 301 HA2 -0.18 0.27 0.71 -0.51 4.01 4.30 2o7pA1 GLY 301 HA3 -0.10 -0.02 0.41 -0.51 4.01 3.79 2o7pA1 PRO 302 HA -0.08 0.25 0.32 -0.51 4.44 4.42 2o7pA1 PRO 302 HB2 -0.04 -0.03 -0.01 -0.04 2.28 2.16 2o7pA1 PRO 302 HB3 -0.05 0.11 -0.21 -0.04 2.02 1.83 2o7pA1 PRO 302 HG2 -0.05 0.06 0.05 -0.04 2.03 2.04 2o7pA1 PRO 302 HG3 -0.08 0.20 0.09 -0.04 2.03 2.20 2o7pA1 PRO 302 HD2 -0.06 -0.00 0.20 -0.04 3.68 3.78 2o7pA1 PRO 302 HD3 -0.10 0.14 0.27 -0.04 3.65 3.91 2o7pA1 THR 303 H -0.04 0.10 -0.02 -0.55 8.28 7.76 2o7pA1 THR 303 HA -0.03 0.19 0.40 -0.75 4.39 4.19 2o7pA1 THR 303 HB -0.03 -0.13 0.12 -0.04 4.32 4.24 2o7pA1 THR 303 HG23 -0.01 0.02 -0.01 -0.04 1.22 1.17 2o7pA1 LEU 304 H -0.05 0.03 -0.24 -0.55 8.37 7.57 2o7pA1 LEU 304 HA -0.06 0.05 0.28 -0.75 4.35 3.86 2o7pA1 LEU 304 HB2 -0.04 -0.14 0.10 -0.04 1.64 1.52 2o7pA1 LEU 304 HB3 -0.06 0.12 -0.03 -0.04 1.64 1.63 2o7pA1 LEU 304 HG -0.04 -0.07 0.02 -0.04 1.64 1.51 2o7pA1 LEU 304 HD13 -0.03 0.01 -0.11 -0.04 0.93 0.75 2o7pA1 LEU 304 HD23 -0.05 0.02 0.01 -0.04 0.89 0.83 2o7pA1 ALA 305 H -0.08 0.46 -0.17 -0.55 8.40 8.06 2o7pA1 ALA 305 HA -0.08 -0.00 0.35 -0.75 4.34 3.85 2o7pA1 ALA 305 HB3 -0.10 0.05 0.03 -0.04 1.41 1.34 2o7pA1 GLY 306 H -0.05 0.36 -0.53 -0.55 8.43 7.66 2o7pA1 GLY 306 HA2 -0.04 0.00 0.33 -0.51 4.01 3.80 2o7pA1 GLY 306 HA3 -0.03 0.14 0.34 -0.51 4.01 3.95 2o7pA1 ALA 307 H -0.05 0.39 0.03 -0.55 8.40 8.23 2o7pA1 ALA 307 HA -0.03 0.04 0.37 -0.75 4.34 3.96 2o7pA1 ALA 307 HB3 -0.07 -0.00 0.09 -0.04 1.41 1.39 2o7pA1 LEU 308 H -0.04 0.56 -0.06 -0.55 8.37 8.28 2o7pA1 LEU 308 HA -0.02 0.01 0.30 -0.75 4.35 3.89 2o7pA1 LEU 308 HB2 -0.05 0.08 0.06 -0.04 1.64 1.69 2o7pA1 LEU 308 HB3 -0.03 -0.01 -0.10 -0.04 1.64 1.45 2o7pA1 LEU 308 HG -0.04 -0.01 0.02 -0.04 1.64 1.57 2o7pA1 LEU 308 HD13 -0.05 -0.01 -0.14 -0.04 0.93 0.68 2o7pA1 LEU 308 HD23 -0.01 0.00 -0.09 -0.04 0.89 0.75 2o7pA1 LEU 309 H -0.02 0.52 -0.27 -0.55 8.37 8.04 2o7pA1 LEU 309 HA 0.03 -0.06 0.40 -0.75 4.35 3.97 2o7pA1 LEU 309 HB2 -0.01 0.17 0.14 -0.04 1.64 1.90 2o7pA1 LEU 309 HB3 0.05 -0.05 -0.03 -0.04 1.64 1.57 2o7pA1 LEU 309 HG -0.02 -0.02 0.03 -0.04 1.64 1.58 2o7pA1 LEU 309 HD13 -0.06 -0.00 -0.07 -0.04 0.93 0.76 2o7pA1 LEU 309 HD23 0.12 -0.02 -0.05 -0.04 0.89 0.90 2o7pA1 GLN 310 H -0.01 0.54 -0.08 -0.55 8.47 8.38 2o7pA1 GLN 310 HA -0.01 0.00 0.37 -0.75 4.36 3.98 2o7pA1 GLN 310 HB2 -0.01 0.06 0.08 -0.04 2.15 2.24 2o7pA1 GLN 310 HB3 -0.01 -0.01 0.07 -0.04 2.02 2.04 2o7pA1 GLN 310 HG2 0.00 -0.01 -0.05 -0.04 2.40 2.30 2o7pA1 GLN 310 HG3 -0.00 -0.03 0.05 -0.04 2.39 2.36 2o7pA1 GLN 310 HE21 -0.00 -0.00 -0.65 -0.04 6.97 6.28 2o7pA1 GLN 310 HE22 -0.00 -0.11 -0.20 -0.04 7.69 7.33 2o7pA1 ALA 311 H -0.01 0.65 -0.19 -0.55 8.40 8.31 2o7pA1 ALA 311 HA 0.00 -0.01 0.37 -0.75 4.34 3.96 2o7pA1 ALA 311 HB3 0.01 -0.03 -0.01 -0.04 1.41 1.34 2o7pA1 GLY 312 H -0.02 0.26 -0.74 -0.55 8.43 7.39 2o7pA1 GLY 312 HA2 -0.06 0.02 0.33 -0.51 4.01 3.80 2o7pA1 GLY 312 HA3 -0.07 0.03 0.39 -0.51 4.01 3.85 2o7pA1 LEU 313 H -0.02 0.23 0.02 -0.55 8.37 8.05 2o7pA1 LEU 313 HA -0.06 0.26 0.80 -0.75 4.35 4.59 2o7pA1 LEU 313 HB2 -0.00 -0.04 -0.07 -0.04 1.64 1.49 2o7pA1 LEU 313 HB3 0.02 -0.03 0.02 -0.04 1.64 1.61 2o7pA1 LEU 313 HG 0.02 0.12 -0.44 -0.04 1.64 1.29 2o7pA1 LEU 313 HD13 0.05 -0.05 -0.19 -0.04 0.93 0.70 2o7pA1 LEU 313 HD23 0.13 0.01 -0.04 -0.04 0.89 0.95 2o7pA1 VAL 314 H -0.02 0.08 -0.03 -0.55 8.24 7.72 2o7pA1 VAL 314 HA -0.06 0.09 0.52 -0.75 4.13 3.93 2o7pA1 VAL 314 HB 0.15 0.02 0.03 -0.04 2.12 2.28 2o7pA1 VAL 314 HG13 0.00 -0.01 -0.31 -0.04 0.97 0.62 2o7pA1 VAL 314 HG23 -0.03 -0.02 -0.21 -0.04 0.95 0.66 2o7pA1 ASP 315 H -0.21 0.43 0.37 -0.55 8.40 8.45 2o7pA1 ASP 315 HA -0.14 0.16 0.78 -0.75 4.63 4.68 2o7pA1 ASP 315 HB2 -1.21 0.00 0.09 -0.04 2.71 1.56 2o7pA1 ASP 315 HB3 -0.56 -0.05 0.06 -0.04 2.70 2.11 2o7pA1 GLU 316 H -0.19 0.42 0.31 -0.55 8.60 8.60 2o7pA1 GLU 316 HA 0.07 0.17 0.63 -0.75 4.29 4.40 2o7pA1 GLU 316 HB2 0.13 0.22 0.26 -0.04 2.09 2.66 2o7pA1 GLU 316 HB3 0.14 -0.02 -0.02 -0.04 1.99 2.05 2o7pA1 GLU 316 HG2 0.22 -0.03 -0.06 -0.04 2.34 2.44 2o7pA1 GLU 316 HG3 0.13 -0.08 -0.22 -0.04 2.34 2.12 2o7pA1 LEU 317 H -0.11 0.64 0.30 -0.55 8.37 8.65 2o7pA1 LEU 317 HA -0.21 0.25 0.97 -0.75 4.35 4.60 2o7pA1 LEU 317 HB2 -0.40 -0.08 0.14 -0.04 1.64 1.26 2o7pA1 LEU 317 HB3 -0.29 -0.00 -0.07 -0.04 1.64 1.23 2o7pA1 LEU 317 HG -0.39 0.01 -0.16 -0.04 1.64 1.06 2o7pA1 LEU 317 HD13 -1.19 -0.00 -0.14 -0.04 0.93 -0.44 2o7pA1 LEU 317 HD23 -0.28 0.02 -0.07 -0.04 0.89 0.52 2o7pA1 ILE 318 H -0.23 0.56 0.15 -0.55 8.25 8.18 2o7pA1 ILE 318 HA -0.37 0.20 1.00 -0.75 4.18 4.25 2o7pA1 ILE 318 HB -0.15 -0.04 0.09 -0.04 1.89 1.75 2o7pA1 ILE 318 HG12 0.33 0.02 -0.10 -0.04 1.49 1.70 2o7pA1 ILE 318 HG13 -0.02 0.04 -0.11 -0.04 1.21 1.08 2o7pA1 ILE 318 HG23 -0.50 -0.01 -0.17 -0.04 0.93 0.21 2o7pA1 ILE 318 HD13 0.08 -0.03 -0.34 -0.04 0.88 0.54 2o7pA1 VAL 319 H -0.30 0.79 0.23 -0.55 8.24 8.41 2o7pA1 VAL 319 HA -0.16 0.22 0.99 -0.75 4.13 4.43 2o7pA1 VAL 319 HB -0.10 -0.07 0.22 -0.04 2.12 2.13 2o7pA1 VAL 319 HG13 -0.05 -0.01 -0.21 -0.04 0.97 0.65 2o7pA1 VAL 319 HG23 -0.15 0.02 -0.10 -0.04 0.95 0.69 2o7pA1 TYR 320 H 0.05 0.89 0.45 -0.55 8.29 9.13 2o7pA1 TYR 320 HA -0.00 0.28 1.14 -0.75 4.56 5.23 2o7pA1 TYR 320 HB2 0.02 -0.01 0.25 -0.04 3.06 3.28 2o7pA1 TYR 320 HB3 0.04 -0.05 0.02 -0.04 2.98 2.95 2o7pA1 TYR 320 HD2 0.06 0.06 -0.13 -0.04 7.15 7.10 2o7pA1 TYR 320 HE2 0.22 0.01 -0.13 -0.04 6.85 6.90 2o7pA1 ILE 321 H 0.06 0.40 0.23 -0.55 8.25 8.39 2o7pA1 ILE 321 HA 0.05 0.28 1.03 -0.75 4.18 4.78 2o7pA1 ILE 321 HB 0.03 -0.11 0.09 -0.04 1.89 1.85 2o7pA1 ILE 321 HG12 0.00 0.03 -0.06 -0.04 1.49 1.41 2o7pA1 ILE 321 HG13 -0.00 -0.01 -0.07 -0.04 1.21 1.08 2o7pA1 ILE 321 HG23 0.02 0.03 -0.25 -0.04 0.93 0.68 2o7pA1 ILE 321 HD13 0.00 0.01 -0.22 -0.04 0.88 0.63 2o7pA1 ALA 322 H 0.05 0.75 0.47 -0.55 8.40 9.12 2o7pA1 ALA 322 HA 0.05 0.21 1.04 -0.75 4.34 4.89 2o7pA1 ALA 322 HB3 0.04 -0.02 0.15 -0.04 1.41 1.54 2o7pA1 PRO 323 HA 0.02 0.12 0.43 -0.51 4.44 4.51 2o7pA1 PRO 323 HB2 0.02 -0.02 0.23 -0.04 2.28 2.47 2o7pA1 PRO 323 HB3 0.03 0.08 0.14 -0.04 2.02 2.23 2o7pA1 PRO 323 HG2 0.02 -0.03 -0.02 -0.04 2.03 1.96 2o7pA1 PRO 323 HG3 0.03 0.12 0.14 -0.04 2.03 2.29 2o7pA1 PRO 323 HD2 0.03 -0.01 0.16 -0.04 3.68 3.82 2o7pA1 PRO 323 HD3 0.04 0.38 0.27 -0.04 3.65 4.30 2o7pA1 LYS 324 H 0.02 0.10 -0.47 -0.55 8.42 7.52 2o7pA1 LYS 324 HA 0.02 0.19 0.83 -0.75 4.32 4.59 2o7pA1 LYS 324 HB2 0.02 -0.04 0.00 -0.04 1.87 1.82 2o7pA1 LYS 324 HB3 0.02 0.09 0.03 -0.04 1.79 1.89 2o7pA1 LYS 324 HG2 0.02 0.05 -0.04 -0.04 1.46 1.45 2o7pA1 LYS 324 HG3 0.02 -0.08 -0.09 -0.04 1.46 1.27 2o7pA1 LYS 324 HD2 0.02 0.04 -0.02 -0.04 1.69 1.69 2o7pA1 LYS 324 HD3 0.02 0.01 -0.02 -0.04 1.68 1.65 2o7pA1 LYS 324 HE2 0.03 -0.04 0.00 -0.04 2.99 2.94 2o7pA1 LYS 324 HE3 0.03 -0.05 -0.01 -0.04 2.99 2.91 2o7pA1 LEU 325 H 0.01 0.19 0.20 -0.55 8.37 8.22 2o7pA1 LEU 325 HA 0.01 -0.00 0.96 -0.75 4.35 4.56 2o7pA1 LEU 325 HB2 0.01 0.03 0.13 -0.04 1.64 1.76 2o7pA1 LEU 325 HB3 0.01 0.07 0.09 -0.04 1.64 1.77 2o7pA1 LEU 325 HG 0.01 0.01 -0.08 -0.04 1.64 1.54 2o7pA1 LEU 325 HD13 0.01 0.01 0.01 -0.04 0.93 0.92 2o7pA1 LEU 325 HD23 0.01 -0.01 -0.03 -0.04 0.89 0.81 2o7pA1 LEU 326 H 0.01 0.04 0.07 -0.55 8.37 7.94 2o7pA1 LEU 326 HA 0.01 0.24 0.74 -0.75 4.35 4.58 2o7pA1 LEU 326 HB2 0.01 -0.00 0.03 -0.04 1.64 1.63 2o7pA1 LEU 326 HB3 0.01 -0.07 0.11 -0.04 1.64 1.65 2o7pA1 LEU 326 HG 0.01 -0.07 -0.33 -0.04 1.64 1.21 2o7pA1 LEU 326 HD13 0.01 0.01 -0.19 -0.04 0.93 0.73 2o7pA1 LEU 326 HD23 0.02 0.09 -0.21 -0.04 0.89 0.75 2o7pA1 GLY 327 H 0.01 0.04 0.02 -0.55 8.43 7.95 2o7pA1 GLY 327 HA2 0.00 0.05 0.28 -0.51 4.01 3.83 2o7pA1 GLY 327 HA3 0.00 0.17 0.66 -0.51 4.01 4.33 2o7pA1 SER 328 H 0.00 0.22 0.03 -0.55 8.46 8.17 2o7pA1 SER 328 HA 0.00 0.04 0.26 -0.75 4.49 4.04 2o7pA1 SER 328 HB2 0.01 0.40 0.42 -0.04 3.95 4.74 2o7pA1 SER 328 HB3 0.00 0.01 -0.05 -0.04 3.93 3.86 2o7pA1 ASP 329 H 0.01 0.23 -0.07 -0.55 8.40 8.02 2o7pA1 ASP 329 HA 0.01 0.07 0.48 -0.75 4.63 4.44 2o7pA1 ASP 329 HB2 0.02 0.09 -0.03 -0.04 2.71 2.75 2o7pA1 ASP 329 HB3 0.01 0.03 0.08 -0.04 2.70 2.78 2o7pA1 ALA 330 H 0.01 -0.10 -0.22 -0.55 8.40 7.54 2o7pA1 ALA 330 HA 0.00 0.22 0.76 -0.75 4.34 4.57 2o7pA1 ALA 330 HB3 0.01 0.04 -0.21 -0.04 1.41 1.21 2o7pA1 ARG 331 H -0.01 0.17 0.17 -0.55 8.46 8.23 2o7pA1 ARG 331 HA -0.01 0.01 0.26 -0.75 4.34 3.85 2o7pA1 GLY 332 H -0.02 0.03 0.14 -0.55 8.43 8.03 2o7pA1 GLY 332 HA2 -0.02 0.12 0.36 -0.51 4.01 3.95 2o7pA1 GLY 332 HA3 -0.02 -0.07 0.35 -0.51 4.01 3.76 2o7pA1 LEU 333 H -0.03 0.02 0.20 -0.55 8.37 8.02 2o7pA1 LEU 333 HA -0.06 0.26 0.73 -0.75 4.35 4.53 2o7pA1 LEU 333 HB2 -0.04 0.37 0.13 -0.04 1.64 2.07 2o7pA1 LEU 333 HB3 -0.05 -0.07 -0.02 -0.04 1.64 1.47 2o7pA1 LEU 333 HG -0.06 -0.05 -0.12 -0.04 1.64 1.37 2o7pA1 LEU 333 HD13 -0.08 -0.01 0.06 -0.04 0.93 0.86 2o7pA1 LEU 333 HD23 -0.04 0.03 -0.28 -0.04 0.89 0.56 2o7pA1 CYS 334 H -0.03 -0.13 0.01 -0.55 8.50 7.80 2o7pA1 CYS 334 HA -0.05 0.17 0.52 -0.75 4.58 4.47 2o7pA1 CYS 334 HB2 -0.04 -0.11 -0.03 -0.04 2.97 2.75 2o7pA1 CYS 334 HB3 -0.04 0.07 -0.10 -0.04 2.97 2.86 2o7pA1 THR 335 H -0.02 -0.00 0.07 -0.55 8.28 7.78 2o7pA1 THR 335 HA -0.01 -0.04 0.37 -0.75 4.39 3.95 2o7pA1 THR 335 HB -0.01 0.20 0.32 -0.04 4.32 4.78 2o7pA1 THR 335 HG23 -0.01 -0.00 -0.11 -0.04 1.22 1.06 2o7pA1 LEU 336 H -0.01 0.09 0.03 -0.55 8.37 7.94 2o7pA1 LEU 336 HA -0.01 0.28 0.82 -0.75 4.35 4.69 2o7pA1 LEU 336 HB2 -0.01 -0.07 0.01 -0.04 1.64 1.53 2o7pA1 LEU 336 HB3 -0.01 0.02 -0.10 -0.04 1.64 1.51 2o7pA1 LEU 336 HG -0.02 -0.02 -0.91 -0.04 1.64 0.65 2o7pA1 LEU 336 HD13 -0.01 -0.01 -0.14 -0.04 0.93 0.73 2o7pA1 LEU 336 HD23 -0.01 0.02 -0.03 -0.04 0.89 0.83 2o7pA1 PRO 337 HA -0.00 0.09 0.85 -0.51 4.44 4.86 2o7pA1 PRO 337 HB2 -0.00 0.06 0.05 -0.04 2.28 2.34 2o7pA1 PRO 337 HB3 -0.00 -0.00 0.03 -0.04 2.02 2.00 2o7pA1 PRO 337 HG2 0.00 0.05 0.11 -0.04 2.03 2.15 2o7pA1 PRO 337 HG3 -0.00 0.00 0.02 -0.04 2.03 2.01 2o7pA1 PRO 337 HD2 -0.00 0.15 0.14 -0.04 3.68 3.92 2o7pA1 PRO 337 HD3 -0.00 0.14 0.03 -0.04 3.65 3.77 2o7pA1 GLY 338 H -0.00 0.12 -0.00 -0.55 8.43 7.99 2o7pA1 GLY 338 HA2 -0.00 0.11 0.57 -0.51 4.01 4.18 2o7pA1 GLY 338 HA3 -0.00 0.07 0.23 -0.51 4.01 3.79 2o7pA1 LEU 339 H -0.01 0.13 0.02 -0.55 8.37 7.97 2o7pA1 LEU 339 HA -0.01 0.07 0.22 -0.75 4.35 3.88 2o7pA1 GLN 347 HA -0.27 0.03 0.27 -0.75 4.36 3.63 2o7pA1 GLN 347 HB2 -0.09 -0.11 0.13 -0.04 2.15 2.03 2o7pA1 GLN 347 HB3 -0.40 -0.02 -0.05 -0.04 2.02 1.51 2o7pA1 GLN 347 HG2 -0.27 0.07 0.04 -0.04 2.40 2.21 2o7pA1 GLN 347 HG3 -0.13 -0.04 0.02 -0.04 2.39 2.20 2o7pA1 GLN 347 HE21 -0.02 0.07 0.00 -0.04 6.97 6.98 2o7pA1 GLN 347 HE22 -0.18 0.01 0.01 -0.04 7.69 7.50 2o7pA1 PHE 348 H 0.00 0.04 0.12 -0.55 8.34 7.95 2o7pA1 PHE 348 HA -0.09 0.51 1.08 -0.75 4.62 5.37 2o7pA1 PHE 348 HB2 -0.15 -0.09 -0.05 -0.04 3.15 2.82 2o7pA1 PHE 348 HB3 -0.20 -0.12 -0.06 -0.04 3.06 2.63 2o7pA1 PHE 348 HD2 -0.10 -0.02 -0.35 -0.04 7.28 6.77 2o7pA1 PHE 348 HE2 -0.09 -0.02 -0.25 -0.04 7.38 6.97 2o7pA1 PHE 348 HZ -0.10 -0.03 -0.16 -0.04 7.32 6.99 2o7pA1 LYS 349 H 0.13 0.31 0.22 -0.55 8.42 8.52 2o7pA1 LYS 349 HA -0.03 0.04 0.70 -0.75 4.32 4.27 2o7pA1 LYS 349 HB2 0.01 0.14 -0.12 -0.04 1.87 1.86 2o7pA1 LYS 349 HB3 0.03 0.01 -0.08 -0.04 1.79 1.71 2o7pA1 LYS 349 HG2 0.07 0.17 -0.20 -0.04 1.46 1.46 2o7pA1 LYS 349 HG3 0.05 -0.04 0.06 -0.04 1.46 1.48 2o7pA1 LYS 349 HD2 0.04 0.01 -0.05 -0.04 1.69 1.65 2o7pA1 LYS 349 HD3 0.03 -0.01 -0.04 -0.04 1.68 1.62 2o7pA1 LYS 349 HE2 0.01 -0.06 -0.09 -0.04 2.99 2.81 2o7pA1 LYS 349 HE3 0.04 0.03 -0.10 -0.04 2.99 2.92 2o7pA1 PHE 350 H 0.13 0.13 0.18 -0.55 8.34 8.23 2o7pA1 PHE 350 HA 0.03 0.10 0.62 -0.75 4.62 4.62 2o7pA1 PHE 350 HB2 0.01 -0.05 0.16 -0.04 3.15 3.23 2o7pA1 PHE 350 HB3 0.01 0.11 -0.07 -0.04 3.06 3.07 2o7pA1 PHE 350 HD2 -0.00 0.09 -0.03 -0.04 7.28 7.29 2o7pA1 PHE 350 HE2 -0.04 -0.02 -0.10 -0.04 7.38 7.18 2o7pA1 PHE 350 HZ -0.04 -0.02 -0.08 -0.04 7.32 7.13 2o7pA1 LYS 351 H 0.24 0.67 0.24 -0.55 8.42 9.01 2o7pA1 LYS 351 HA 0.09 0.15 0.82 -0.75 4.32 4.63 2o7pA1 LYS 351 HB2 0.11 0.01 -0.05 -0.04 1.87 1.90 2o7pA1 LYS 351 HB3 0.08 -0.27 0.21 -0.04 1.79 1.77 2o7pA1 LYS 351 HG2 0.05 -0.00 -0.02 -0.04 1.46 1.45 2o7pA1 LYS 351 HG3 0.04 -0.01 0.02 -0.04 1.46 1.47 2o7pA1 LYS 351 HD2 0.07 0.14 -0.13 -0.04 1.69 1.73 2o7pA1 LYS 351 HD3 0.06 -0.02 -0.10 -0.04 1.68 1.58 2o7pA1 LYS 351 HE2 0.03 -0.00 -0.02 -0.04 2.99 2.95 2o7pA1 LYS 351 HE3 0.04 -0.02 -0.00 -0.04 2.99 2.97 2o7pA1 GLU 352 H 0.08 0.08 0.17 -0.55 8.60 8.38 2o7pA1 GLU 352 HA 0.03 0.17 0.65 -0.75 4.29 4.39 2o7pA1 GLU 352 HB2 -0.06 0.00 0.10 -0.04 2.09 2.09 2o7pA1 GLU 352 HB3 -0.02 -0.03 0.02 -0.04 1.99 1.92 2o7pA1 GLU 352 HG2 0.02 0.03 0.00 -0.04 2.34 2.34 2o7pA1 GLU 352 HG3 -0.01 0.01 0.02 -0.04 2.34 2.33 2o7pA1 ILE 353 H 0.01 0.23 0.23 -0.55 8.25 8.17 2o7pA1 ILE 353 HA 0.03 0.27 0.93 -0.75 4.18 4.66 2o7pA1 ILE 353 HB -0.11 0.02 0.10 -0.04 1.89 1.87 2o7pA1 ILE 353 HG12 -0.06 -0.02 0.20 -0.04 1.49 1.56 2o7pA1 ILE 353 HG13 -0.09 -0.02 -0.10 -0.04 1.21 0.96 2o7pA1 ILE 353 HG23 -0.13 0.02 -0.12 -0.04 0.93 0.65 2o7pA1 ILE 353 HD13 -0.14 -0.00 -0.01 -0.04 0.88 0.69 2o7pA1 ARG 354 H 0.01 0.57 0.31 -0.55 8.46 8.79 2o7pA1 ARG 354 HA -0.02 0.16 1.00 -0.75 4.34 4.72 2o7pA1 ARG 354 HB2 0.07 0.10 0.10 -0.04 1.90 2.13 2o7pA1 ARG 354 HB3 0.05 0.01 -0.12 -0.04 1.80 1.70 2o7pA1 ARG 354 HG2 0.10 -0.01 0.01 -0.04 1.67 1.73 2o7pA1 ARG 354 HG3 0.11 0.06 -0.19 -0.04 1.67 1.61 2o7pA1 ARG 354 HD2 0.08 0.03 -0.07 -0.04 3.22 3.21 2o7pA1 ARG 354 HD3 0.08 -0.04 -0.16 -0.04 3.22 3.06 2o7pA1 HIS 355 H 0.09 0.10 0.18 -0.55 8.41 8.23 2o7pA1 HIS 355 HA 0.04 0.19 0.95 -0.75 4.63 5.06 2o7pA1 HIS 355 HB2 0.02 -0.06 0.15 -0.04 3.26 3.33 2o7pA1 HIS 355 HB3 0.03 0.12 0.05 -0.04 3.20 3.35 2o7pA1 HIS 355 HD2 0.02 0.10 -0.09 -0.04 6.97 6.96 2o7pA1 HIS 355 HE1 0.00 -0.01 -0.02 -0.04 7.75 7.68 2o7pA1 VAL 356 H 0.16 1.02 0.07 -0.55 8.24 8.94 2o7pA1 VAL 356 HA 0.10 0.07 0.51 -0.75 4.13 4.06 2o7pA1 VAL 356 HB 0.18 -0.00 -0.16 -0.04 2.12 2.09 2o7pA1 VAL 356 HG13 0.10 -0.04 -0.26 -0.04 0.97 0.73 2o7pA1 VAL 356 HG23 0.18 0.01 -0.32 -0.04 0.95 0.77 2o7pA1 GLY 357 H 0.06 0.17 -0.05 -0.55 8.43 8.07 2o7pA1 GLY 357 HA2 0.02 0.05 0.33 -0.51 4.01 3.90 2o7pA1 GLY 357 HA3 0.03 -0.02 0.54 -0.51 4.01 4.06 2o7pA1 PRO 358 HA 0.04 0.14 0.48 -0.51 4.44 4.59 2o7pA1 PRO 358 HB2 0.03 0.02 0.15 -0.04 2.28 2.44 2o7pA1 PRO 358 HB3 0.01 0.01 0.11 -0.04 2.02 2.12 2o7pA1 PRO 358 HG2 0.03 0.00 0.07 -0.04 2.03 2.09 2o7pA1 PRO 358 HG3 0.01 0.02 0.12 -0.04 2.03 2.14 2o7pA1 PRO 358 HD2 0.03 0.14 0.33 -0.04 3.68 4.14 2o7pA1 PRO 358 HD3 0.02 0.02 0.29 -0.04 3.65 3.94 2o7pA1 ASP 359 H 0.08 0.48 -0.18 -0.55 8.40 8.23 2o7pA1 ASP 359 HA 0.08 0.22 1.05 -0.75 4.63 5.23 2o7pA1 ASP 359 HB2 0.10 0.04 0.06 -0.04 2.71 2.88 2o7pA1 ASP 359 HB3 0.14 0.17 0.02 -0.04 2.70 2.98 2o7pA1 VAL 360 H 0.07 0.45 0.33 -0.55 8.24 8.54 2o7pA1 VAL 360 HA 0.03 0.19 1.13 -0.75 4.13 4.73 2o7pA1 VAL 360 HB -0.09 0.08 0.05 -0.04 2.12 2.12 2o7pA1 VAL 360 HG13 -0.10 -0.01 -0.11 -0.04 0.97 0.71 2o7pA1 VAL 360 HG23 -0.01 -0.01 -0.02 -0.04 0.95 0.87 2o7pA1 CYS 361 H 0.01 0.69 0.31 -0.55 8.50 8.96 2o7pA1 CYS 361 HA -0.15 0.27 0.99 -0.75 4.58 4.94 2o7pA1 CYS 361 HB2 0.13 -0.03 -0.16 -0.04 2.97 2.87 2o7pA1 CYS 361 HB3 0.04 -0.04 0.03 -0.04 2.97 2.95 2o7pA1 LEU 362 H -0.23 0.68 0.29 -0.55 8.37 8.57 2o7pA1 LEU 362 HA 0.01 0.21 1.17 -0.75 4.35 4.98 2o7pA1 LEU 362 HB2 0.01 -0.05 0.17 -0.04 1.64 1.73 2o7pA1 LEU 362 HB3 0.19 0.04 -0.02 -0.04 1.64 1.80 2o7pA1 LEU 362 HG -0.04 -0.01 -0.20 -0.04 1.64 1.35 2o7pA1 LEU 362 HD13 0.00 -0.01 -0.08 -0.04 0.93 0.80 2o7pA1 LEU 362 HD23 -0.11 0.05 -0.13 -0.04 0.89 0.66 2o7pA1 HIS 363 H 0.20 0.79 0.33 -0.55 8.41 9.18 2o7pA1 HIS 363 HA -0.01 0.25 1.04 -0.75 4.63 5.15 2o7pA1 HIS 363 HB2 0.05 -0.11 0.29 -0.04 3.26 3.45 2o7pA1 HIS 363 HB3 0.05 0.04 0.07 -0.04 3.20 3.32 2o7pA1 HIS 363 HD2 0.01 0.04 -0.16 -0.04 6.97 6.81 2o7pA1 HIS 363 HE1 0.11 0.03 -0.08 -0.04 7.75 7.77 2o7pA1 LEU 364 H -0.03 0.71 0.45 -0.55 8.37 8.96 2o7pA1 LEU 364 HA -0.00 0.20 0.98 -0.75 4.35 4.78 2o7pA1 LEU 364 HB2 -0.37 -0.05 0.05 -0.04 1.64 1.24 2o7pA1 LEU 364 HB3 -0.28 0.03 -0.04 -0.04 1.64 1.30 2o7pA1 LEU 364 HG -0.50 0.05 -0.18 -0.04 1.64 0.96 2o7pA1 LEU 364 HD13 -0.17 -0.00 -0.24 -0.04 0.93 0.47 2o7pA1 LEU 364 HD23 -0.96 -0.01 -0.21 -0.04 0.89 -0.33 2o7pA1 VAL 365 H 0.09 0.70 0.35 -0.55 8.24 8.82 2o7pA1 VAL 365 HA 0.14 0.22 1.10 -0.75 4.13 4.84 2o7pA1 VAL 365 HB 0.10 -0.01 -0.02 -0.04 2.12 2.14 2o7pA1 VAL 365 HG13 0.07 -0.05 -0.11 -0.04 0.97 0.84 2o7pA1 VAL 365 HG23 0.14 0.02 -0.02 -0.04 0.95 1.05 2o7pA1 GLY 366 H 0.10 0.75 0.39 -0.55 8.43 9.13 2o7pA1 GLY 366 HA2 -0.42 0.06 0.36 -0.51 4.01 3.50 2o7pA1 GLY 366 HA3 -0.12 0.06 0.41 -0.51 4.01 3.85 2o7pA1 ALA 367 H 0.00 -0.05 -0.28 -0.55 8.40 7.53 2o7pA1 ALA 367 HA -0.06 0.10 0.10 -0.75 4.34 3.72 2o7pA1 ALA 367 HB3 0.01 -0.00 0.01 -0.04 1.41 1.38