============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 73 rings ring int. center anis. iso. PHE 5 1.000 120.794 44.955 92.562 -99.200 -91.000 PHE 7 1.000 125.721 42.844 100.366 -99.200 -91.000 HIS 9 0.900 134.461 40.100 101.312 -99.200 -91.000 HIS 11 0.900 135.404 48.828 95.050 -99.200 -91.000 HIS 17 0.900 124.485 53.560 88.952 -99.200 -91.000 HIS 25 0.900 111.889 49.174 85.343 -99.200 -91.000 HIS 29 0.900 105.239 46.574 92.282 -99.200 -91.000 TYR 36 0.840 130.584 35.081 103.316 -99.200 -91.000 TYR 42 0.840 124.039 43.619 106.407 -99.200 -91.000 TYR 85 0.840 112.247 39.241 101.756 -99.200 -91.000 PHE 86 1.000 109.610 35.737 94.275 -99.200 -91.000 TRP 92 1.040 107.144 41.716 96.098 -99.200 -91.000 TRP6 92 1.020 105.514 43.416 96.057 -99.200 -91.000 HIS 96 0.900 113.780 41.554 87.149 -99.200 -91.000 PHE 97 1.000 118.111 35.500 92.520 -99.200 -91.000 TYR 98 0.840 119.060 42.298 87.026 -99.200 -91.000 PHE 105 1.000 120.606 46.867 86.969 -99.200 -91.000 TRP 109 1.040 121.220 45.923 82.067 -99.200 -91.000 TRP6 109 1.020 122.973 44.509 82.778 -99.200 -91.000 PHE 119 1.000 106.175 36.816 73.049 -99.200 -91.000 TYR 121 0.840 109.873 33.322 76.189 -99.200 -91.000 HIS 126 0.900 118.680 40.309 82.137 -99.200 -91.000 TYR 127 0.840 122.683 36.128 74.636 -99.200 -91.000 PHE 128 1.000 125.248 40.436 80.603 -99.200 -91.000 TRP 139 1.040 132.379 29.806 75.894 -99.200 -91.000 TRP6 139 1.020 131.034 28.905 74.161 -99.200 -91.000 PHE 146 1.000 124.787 22.273 81.634 -99.200 -91.000 TRP 150 1.040 122.146 15.248 80.684 -99.200 -91.000 TRP6 150 1.020 123.700 16.168 82.224 -99.200 -91.000 HIS 152 0.900 120.214 13.006 71.123 -99.200 -91.000 TRP 157 1.040 121.682 23.428 71.609 -99.200 -91.000 TRP6 157 1.020 122.408 24.165 69.494 -99.200 -91.000 TYR 177 0.840 113.372 27.605 99.711 -99.200 -91.000 TRP 188 1.040 132.351 30.576 93.627 -99.200 -91.000 TRP6 188 1.020 131.439 32.746 93.190 -99.200 -91.000 TYR 194 0.840 119.079 29.257 91.303 -99.200 -91.000 PHE 196 1.000 120.505 18.747 85.066 -99.200 -91.000 TYR 206 0.840 113.546 36.372 74.805 -99.200 -91.000 TYR 209 0.840 123.681 40.883 72.657 -99.200 -91.000 HIS 216 0.900 132.099 40.572 85.524 -99.200 -91.000 TYR 219 0.840 137.414 36.796 86.463 -99.200 -91.000 PHE 233 1.000 134.512 18.019 86.912 -99.200 -91.000 HIS 241 0.900 125.874 8.390 87.375 -99.200 -91.000 HIS 250 0.900 117.418 27.996 74.674 -99.200 -91.000 HIS 254 0.900 120.919 37.908 65.190 -99.200 -91.000 HIS 256 0.900 121.815 44.109 69.164 -99.200 -91.000 HIS 261 0.900 133.280 48.607 75.775 -99.200 -91.000 TYR 268 0.840 144.509 33.801 80.274 -99.200 -91.000 HIS 275 0.900 155.932 32.064 88.623 -99.200 -91.000 HIS 280 0.900 150.617 26.541 94.962 -99.200 -91.000 TRP 281 1.040 153.561 20.582 89.335 -99.200 -91.000 TRP6 281 1.020 152.337 18.837 88.305 -99.200 -91.000 PHE 292 1.000 143.412 12.764 84.398 -99.200 -91.000 PHE 309 1.000 150.839 26.610 75.845 -99.200 -91.000 PHE 311 1.000 148.983 18.717 77.658 -99.200 -91.000 TRP 317 1.040 138.288 20.350 78.239 -99.200 -91.000 TRP6 317 1.020 139.442 20.449 80.304 -99.200 -91.000 TYR 321 0.840 133.818 17.898 81.568 -99.200 -91.000 HIS 322 0.900 133.432 11.353 78.628 -99.200 -91.000 HIS 327 0.900 138.865 7.368 87.776 -99.200 -91.000 PHE 328 1.000 137.159 17.333 91.383 -99.200 -91.000 TRP 335 1.040 141.284 13.264 92.736 -99.200 -91.000 TRP6 335 1.020 141.548 12.855 90.408 -99.200 -91.000 PHE 340 1.000 144.388 26.832 88.779 -99.200 -91.000 TRP 343 1.040 139.441 25.645 83.153 -99.200 -91.000 TRP6 343 1.020 139.947 27.654 84.306 -99.200 -91.000 TYR 350 0.840 139.550 29.809 73.438 -99.200 -91.000 TYR 359 0.840 134.338 38.386 69.496 -99.200 -91.000 TYR 361 0.840 139.751 30.083 63.920 -99.200 -91.000 TYR 365 0.840 138.106 25.723 69.043 -99.200 -91.000 TYR 367 0.840 128.265 29.809 69.816 -99.200 -91.000 TYR 373 0.840 134.139 18.895 73.472 -99.200 -91.000 TYR 375 0.840 128.153 13.105 64.497 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bo8G1 SER 2 HA 0.12 -0.14 0.32 -0.75 4.49 4.04 2bo8G1 SER 2 HB2 -0.01 -0.05 -0.13 -0.04 3.95 3.72 2bo8G1 SER 2 HB3 0.16 0.02 -0.09 -0.04 3.93 3.99 2bo8G1 LEU 3 H 0.03 0.69 0.40 -0.55 8.37 8.94 2bo8G1 LEU 3 HA -0.18 0.31 0.98 -0.75 4.35 4.72 2bo8G1 LEU 3 HB2 0.36 -0.00 0.03 -0.04 1.64 1.98 2bo8G1 LEU 3 HB3 -0.02 -0.03 0.17 -0.04 1.64 1.72 2bo8G1 LEU 3 HG -0.08 -0.05 -0.39 -0.04 1.64 1.08 2bo8G1 LEU 3 HD13 0.18 0.06 -0.16 -0.04 0.93 0.97 2bo8G1 LEU 3 HD23 0.30 -0.02 -0.13 -0.04 0.89 1.00 2bo8G1 VAL 4 H -0.11 0.67 0.35 -0.55 8.24 8.59 2bo8G1 VAL 4 HA -0.14 0.09 0.97 -0.75 4.13 4.30 2bo8G1 VAL 4 HB -0.12 0.05 0.10 -0.04 2.12 2.11 2bo8G1 VAL 4 HG13 -0.30 -0.03 -0.23 -0.04 0.97 0.36 2bo8G1 VAL 4 HG23 -0.26 0.00 -0.16 -0.04 0.95 0.49 2bo8G1 VAL 5 H -0.38 0.61 0.24 -0.55 8.24 8.16 2bo8G1 VAL 5 HA -0.16 0.35 1.09 -0.75 4.13 4.65 2bo8G1 VAL 5 HB -0.78 0.07 0.21 -0.04 2.12 1.58 2bo8G1 VAL 5 HG13 0.01 -0.04 -0.19 -0.04 0.97 0.71 2bo8G1 VAL 5 HG23 -0.29 -0.01 -0.19 -0.04 0.95 0.43 2bo8G1 PHE 6 H 0.11 0.65 0.35 -0.55 8.34 8.90 2bo8G1 PHE 6 HA 0.10 0.38 0.95 -0.75 4.62 5.30 2bo8G1 PHE 6 HB2 0.04 -0.05 0.18 -0.04 3.15 3.28 2bo8G1 PHE 6 HB3 0.05 -0.09 -0.01 -0.04 3.06 2.96 2bo8G1 PHE 6 HD2 -0.07 0.08 -0.19 -0.04 7.28 7.07 2bo8G1 PHE 6 HE2 -0.46 0.00 -0.17 -0.04 7.38 6.71 2bo8G1 PHE 6 HZ -0.46 0.04 -0.24 -0.04 7.32 6.62 2bo8G1 PRO 7 HA 0.15 0.23 0.90 -0.51 4.44 5.21 2bo8G1 PRO 7 HB2 0.09 -0.07 -0.01 -0.04 2.28 2.25 2bo8G1 PRO 7 HB3 0.14 0.05 0.03 -0.04 2.02 2.21 2bo8G1 PRO 7 HG2 0.18 -0.11 0.09 -0.04 2.03 2.14 2bo8G1 PRO 7 HG3 0.23 0.08 0.01 -0.04 2.03 2.31 2bo8G1 PRO 7 HD2 0.24 0.28 0.21 -0.04 3.68 4.37 2bo8G1 PRO 7 HD3 0.27 0.22 -0.06 -0.04 3.65 4.04 2bo8G1 PHE 8 H -0.14 0.86 0.35 -0.55 8.34 8.86 2bo8G1 PHE 8 HA 0.05 0.04 0.89 -0.75 4.62 4.84 2bo8G1 PHE 8 HB2 0.03 -0.12 -0.11 -0.04 3.15 2.91 2bo8G1 PHE 8 HB3 0.05 0.08 -0.27 -0.04 3.06 2.87 2bo8G1 PHE 8 HD2 0.06 0.09 -0.22 -0.04 7.28 7.17 2bo8G1 PHE 8 HE2 0.08 -0.03 -0.21 -0.04 7.38 7.19 2bo8G1 PHE 8 HZ 0.04 0.04 -0.10 -0.04 7.32 7.26 2bo8G1 LYS 9 H 0.09 0.10 0.04 -0.55 8.42 8.10 2bo8G1 LYS 9 HA -0.18 0.13 1.01 -0.75 4.32 4.53 2bo8G1 LYS 9 HB2 -0.24 0.03 0.06 -0.04 1.87 1.68 2bo8G1 LYS 9 HB3 -0.16 -0.07 0.21 -0.04 1.79 1.73 2bo8G1 LYS 9 HG2 -1.03 0.01 -0.08 -0.04 1.46 0.32 2bo8G1 LYS 9 HG3 -0.75 0.00 0.08 -0.04 1.46 0.76 2bo8G1 LYS 9 HD2 -0.65 -0.00 0.02 -0.04 1.69 1.01 2bo8G1 LYS 9 HD3 -0.33 -0.01 0.04 -0.04 1.68 1.33 2bo8G1 LYS 9 HE2 -0.47 -0.00 -0.01 -0.04 2.99 2.47 2bo8G1 LYS 9 HE3 -1.81 0.03 -0.00 -0.04 2.99 1.17 2bo8G1 HIS 10 H 0.00 0.20 0.12 -0.55 8.41 8.19 2bo8G1 HIS 10 HA 0.10 0.14 0.94 -0.75 4.63 5.06 2bo8G1 HIS 10 HB2 0.01 0.00 0.23 -0.04 3.26 3.46 2bo8G1 HIS 10 HB3 0.00 0.04 0.07 -0.04 3.20 3.27 2bo8G1 HIS 10 HD2 0.08 -0.02 0.05 -0.04 6.97 7.04 2bo8G1 HIS 10 HE1 -0.05 0.05 -0.03 -0.04 7.75 7.68 2bo8G1 GLU 11 H 0.13 0.19 0.04 -0.55 8.60 8.42 2bo8G1 GLU 11 HA -0.07 0.23 0.71 -0.75 4.29 4.40 2bo8G1 GLU 11 HB2 0.07 -0.07 -0.17 -0.04 2.09 1.88 2bo8G1 GLU 11 HB3 -0.01 0.13 -0.11 -0.04 1.99 1.97 2bo8G1 GLU 11 HG2 0.05 0.06 -0.08 -0.04 2.34 2.33 2bo8G1 GLU 11 HG3 0.02 0.02 0.19 -0.04 2.34 2.53 2bo8G1 HIS 12 H -0.09 0.18 0.13 -0.55 8.41 8.08 2bo8G1 HIS 12 HA -0.00 0.18 0.70 -0.75 4.63 4.75 2bo8G1 HIS 12 HB2 -0.02 -0.01 0.17 -0.04 3.26 3.37 2bo8G1 HIS 12 HB3 -0.02 -0.01 0.08 -0.04 3.20 3.21 2bo8G1 HIS 12 HD2 -0.00 0.03 0.03 -0.04 6.97 6.98 2bo8G1 HIS 12 HE1 0.01 0.03 0.02 -0.04 7.75 7.76 2bo8G1 PRO 13 HA -0.10 0.07 0.37 -0.51 4.44 4.28 2bo8G1 PRO 13 HB2 -0.02 0.07 0.05 -0.04 2.28 2.34 2bo8G1 PRO 13 HB3 -0.05 0.07 0.08 -0.04 2.02 2.08 2bo8G1 PRO 13 HG2 0.01 0.09 0.06 -0.04 2.03 2.16 2bo8G1 PRO 13 HG3 -0.01 -0.00 0.04 -0.04 2.03 2.02 2bo8G1 PRO 13 HD2 0.08 0.10 0.24 -0.04 3.68 4.06 2bo8G1 PRO 13 HD3 0.03 0.26 0.37 -0.04 3.65 4.28 2bo8G1 GLU 14 H 0.01 0.12 -0.18 -0.55 8.60 8.00 2bo8G1 GLU 14 HA -0.04 0.12 0.29 -0.75 4.29 3.91 2bo8G1 GLU 14 HB2 -0.05 0.06 -0.06 -0.04 2.09 2.00 2bo8G1 GLU 14 HB3 -0.04 0.09 0.05 -0.04 1.99 2.05 2bo8G1 GLU 14 HG2 -0.04 0.09 0.01 -0.04 2.34 2.36 2bo8G1 GLU 14 HG3 -0.02 -0.02 0.03 -0.04 2.34 2.30 2bo8G1 VAL 15 H 0.00 0.08 -0.33 -0.55 8.24 7.45 2bo8G1 VAL 15 HA -0.03 0.11 0.38 -0.75 4.13 3.83 2bo8G1 VAL 15 HB 0.02 0.03 0.12 -0.04 2.12 2.25 2bo8G1 VAL 15 HG13 -0.01 0.05 -0.19 -0.04 0.97 0.77 2bo8G1 VAL 15 HG23 0.04 -0.03 0.02 -0.04 0.95 0.94 2bo8G1 LEU 16 H -0.09 0.28 -0.06 -0.55 8.37 7.94 2bo8G1 LEU 16 HA -0.31 0.18 0.54 -0.75 4.35 4.01 2bo8G1 LEU 16 HB2 -0.19 -0.05 0.01 -0.04 1.64 1.37 2bo8G1 LEU 16 HB3 -0.22 0.01 0.05 -0.04 1.64 1.43 2bo8G1 LEU 16 HG -0.35 0.04 -0.31 -0.04 1.64 0.98 2bo8G1 LEU 16 HD13 -0.38 -0.01 -0.02 -0.04 0.93 0.48 2bo8G1 LEU 16 HD23 -0.60 -0.02 -0.13 -0.04 0.89 0.09 2bo8G1 LEU 17 H -0.14 0.64 -0.06 -0.55 8.37 8.27 2bo8G1 LEU 17 HA -0.18 0.02 0.39 -0.75 4.35 3.83 2bo8G1 LEU 17 HB2 -0.07 0.03 0.07 -0.04 1.64 1.63 2bo8G1 LEU 17 HB3 -0.07 0.01 -0.05 -0.04 1.64 1.49 2bo8G1 LEU 17 HG -0.13 0.04 0.01 -0.04 1.64 1.51 2bo8G1 LEU 17 HD13 -0.06 -0.01 -0.16 -0.04 0.93 0.65 2bo8G1 LEU 17 HD23 -0.14 -0.01 -0.07 -0.04 0.89 0.63 2bo8G1 HIS 18 H -0.01 0.46 -0.32 -0.55 8.41 7.99 2bo8G1 HIS 18 HA -0.09 0.02 0.39 -0.75 4.63 4.21 2bo8G1 HIS 18 HB2 -0.08 0.03 0.14 -0.04 3.26 3.30 2bo8G1 HIS 18 HB3 -0.11 0.16 0.17 -0.04 3.20 3.38 2bo8G1 HIS 18 HD2 -0.05 -0.02 0.00 -0.04 6.97 6.86 2bo8G1 HIS 18 HE1 -0.05 0.10 -0.07 -0.04 7.75 7.69 2bo8G1 ASN 19 H -0.20 0.41 -0.13 -0.55 8.53 8.06 2bo8G1 ASN 19 HA -0.17 -0.02 0.39 -0.75 4.76 4.21 2bo8G1 ASN 19 HB2 -0.81 0.10 0.16 -0.04 2.88 2.29 2bo8G1 ASN 19 HB3 -0.94 -0.07 -0.04 -0.04 2.79 1.70 2bo8G1 ASN 19 HD21 -0.18 0.39 0.08 -0.04 7.03 7.29 2bo8G1 ASN 19 HD22 -0.36 -0.04 0.05 -0.04 7.74 7.35 2bo8G1 VAL 20 H -0.48 0.65 -0.11 -0.55 8.24 7.76 2bo8G1 VAL 20 HA -0.05 -0.00 0.36 -0.75 4.13 3.69 2bo8G1 VAL 20 HB -0.19 0.08 0.09 -0.04 2.12 2.06 2bo8G1 VAL 20 HG13 -0.04 -0.00 -0.21 -0.04 0.97 0.67 2bo8G1 VAL 20 HG23 -0.29 0.01 -0.07 -0.04 0.95 0.57 2bo8G1 ARG 21 H -0.16 0.59 -0.26 -0.55 8.46 8.08 2bo8G1 ARG 21 HA -0.06 0.01 0.35 -0.75 4.34 3.89 2bo8G1 ARG 21 HB2 -0.10 0.17 0.16 -0.04 1.90 2.09 2bo8G1 ARG 21 HB3 -0.15 0.06 0.04 -0.04 1.80 1.71 2bo8G1 ARG 21 HG2 -0.04 -0.03 -0.05 -0.04 1.67 1.50 2bo8G1 ARG 21 HG3 -0.05 0.01 0.01 -0.04 1.67 1.61 2bo8G1 ARG 21 HD2 -0.03 -0.03 -0.05 -0.04 3.22 3.08 2bo8G1 ARG 21 HD3 -0.04 -0.02 -0.04 -0.04 3.22 3.07 2bo8G1 VAL 22 H -0.19 0.46 -0.18 -0.55 8.24 7.79 2bo8G1 VAL 22 HA -0.11 0.01 0.32 -0.75 4.13 3.60 2bo8G1 VAL 22 HB 0.05 0.09 0.09 -0.04 2.12 2.31 2bo8G1 VAL 22 HG13 -0.31 -0.04 -0.32 -0.04 0.97 0.27 2bo8G1 VAL 22 HG23 -0.40 0.06 -0.07 -0.04 0.95 0.49 2bo8G1 ALA 23 H 0.16 0.60 -0.07 -0.55 8.40 8.54 2bo8G1 ALA 23 HA 0.07 -0.07 0.32 -0.75 4.34 3.91 2bo8G1 ALA 23 HB3 0.19 -0.00 -0.00 -0.04 1.41 1.55 2bo8G1 ALA 24 H 0.02 0.58 -0.21 -0.55 8.40 8.24 2bo8G1 ALA 24 HA -0.01 0.04 0.18 -0.75 4.34 3.79 2bo8G1 ALA 24 HB3 -0.01 -0.01 -0.03 -0.04 1.41 1.33 2bo8G1 ALA 25 H -0.01 0.36 -0.40 -0.55 8.40 7.80 2bo8G1 ALA 25 HA -0.02 0.09 0.39 -0.75 4.34 4.04 2bo8G1 ALA 25 HB3 -0.04 -0.02 0.09 -0.04 1.41 1.39 2bo8G1 HIS 26 H 0.06 0.42 -0.43 -0.55 8.41 7.92 2bo8G1 HIS 26 HA -0.06 0.01 0.41 -0.75 4.63 4.24 2bo8G1 HIS 26 HB2 -0.09 0.03 0.10 -0.04 3.26 3.27 2bo8G1 HIS 26 HB3 -0.10 0.05 0.11 -0.04 3.20 3.23 2bo8G1 HIS 26 HD2 -0.09 -0.11 0.04 -0.04 6.97 6.76 2bo8G1 HIS 26 HE1 -0.00 0.04 -0.09 -0.04 7.75 7.65 2bo8G1 PRO 27 HA -0.03 0.18 0.26 -0.51 4.44 4.34 2bo8G1 PRO 27 HB2 -0.02 -0.02 -0.02 -0.04 2.28 2.17 2bo8G1 PRO 27 HB3 -0.03 0.02 0.11 -0.04 2.02 2.08 2bo8G1 PRO 27 HG2 -0.19 -0.05 0.08 -0.04 2.03 1.83 2bo8G1 PRO 27 HG3 -0.13 0.08 0.13 -0.04 2.03 2.07 2bo8G1 PRO 27 HD2 -1.05 -0.03 0.16 -0.04 3.68 2.72 2bo8G1 PRO 27 HD3 -0.37 0.19 0.28 -0.04 3.65 3.71 2bo8G1 ARG 28 H 0.57 -0.05 -0.50 -0.55 8.46 7.93 2bo8G1 ARG 28 HA -0.10 0.19 0.63 -0.75 4.34 4.30 2bo8G1 ARG 28 HB2 0.04 -0.08 -0.06 -0.04 1.90 1.75 2bo8G1 ARG 28 HB3 0.01 0.02 0.04 -0.04 1.80 1.83 2bo8G1 ARG 28 HG2 0.07 0.08 -0.13 -0.04 1.67 1.65 2bo8G1 ARG 28 HG3 0.18 -0.09 -0.14 -0.04 1.67 1.58 2bo8G1 ARG 28 HD2 0.12 -0.04 -0.07 -0.04 3.22 3.19 2bo8G1 ARG 28 HD3 0.13 -0.04 -0.08 -0.04 3.22 3.20 2bo8G1 VAL 29 H -0.09 0.50 -0.20 -0.55 8.24 7.90 2bo8G1 VAL 29 HA -0.32 0.16 0.77 -0.75 4.13 3.99 2bo8G1 VAL 29 HB -0.10 0.28 0.09 -0.04 2.12 2.35 2bo8G1 VAL 29 HG13 -0.15 -0.06 -0.27 -0.04 0.97 0.45 2bo8G1 VAL 29 HG23 -0.23 -0.09 -0.11 -0.04 0.95 0.47 2bo8G1 HIS 30 H -0.53 0.66 0.35 -0.55 8.41 8.36 2bo8G1 HIS 30 HA -0.27 0.23 0.91 -0.75 4.63 4.74 2bo8G1 HIS 30 HB2 -2.03 -0.00 0.06 -0.04 3.26 1.25 2bo8G1 HIS 30 HB3 -1.10 -0.10 0.13 -0.04 3.20 2.09 2bo8G1 HIS 30 HD2 -0.19 0.08 0.05 -0.04 6.97 6.87 2bo8G1 HIS 30 HE1 0.02 -0.04 -0.04 -0.04 7.75 7.65 2bo8G1 GLU 31 H -0.33 0.28 0.16 -0.55 8.60 8.17 2bo8G1 GLU 31 HA -0.01 0.25 0.48 -0.75 4.29 4.26 2bo8G1 GLU 31 HB2 0.18 0.12 -0.11 -0.04 2.09 2.24 2bo8G1 GLU 31 HB3 0.03 -0.14 -0.03 -0.04 1.99 1.81 2bo8G1 GLU 31 HG2 0.17 -0.03 -0.28 -0.04 2.34 2.16 2bo8G1 GLU 31 HG3 0.20 0.11 0.04 -0.04 2.34 2.66 2bo8G1 VAL 32 H 0.03 0.71 0.27 -0.55 8.24 8.70 2bo8G1 VAL 32 HA -0.01 0.23 1.09 -0.75 4.13 4.69 2bo8G1 VAL 32 HB 0.04 -0.03 0.09 -0.04 2.12 2.18 2bo8G1 VAL 32 HG13 0.18 -0.03 -0.13 -0.04 0.97 0.96 2bo8G1 VAL 32 HG23 0.02 0.02 -0.20 -0.04 0.95 0.76 2bo8G1 LEU 33 H -0.00 0.77 0.36 -0.55 8.37 8.95 2bo8G1 LEU 33 HA -0.01 0.26 1.02 -0.75 4.35 4.87 2bo8G1 LEU 33 HB2 -0.04 0.05 -0.16 -0.04 1.64 1.45 2bo8G1 LEU 33 HB3 -0.03 -0.04 0.02 -0.04 1.64 1.54 2bo8G1 LEU 33 HG -0.06 -0.08 -0.42 -0.04 1.64 1.04 2bo8G1 LEU 33 HD13 -0.34 0.04 -0.17 -0.04 0.93 0.41 2bo8G1 LEU 33 HD23 -0.14 -0.01 -0.16 -0.04 0.89 0.53 2bo8G1 CYS 34 H 0.04 0.72 0.36 -0.55 8.50 9.08 2bo8G1 CYS 34 HA 0.26 0.18 1.05 -0.75 4.58 5.31 2bo8G1 CYS 34 HB2 0.11 -0.03 0.18 -0.04 2.97 3.19 2bo8G1 CYS 34 HB3 0.39 -0.06 0.00 -0.04 2.97 3.26 2bo8G1 ILE 35 H 0.21 0.39 0.09 -0.55 8.25 8.38 2bo8G1 ILE 35 HA 0.03 0.34 1.03 -0.75 4.18 4.82 2bo8G1 ILE 35 HB 0.08 -0.12 0.05 -0.04 1.89 1.86 2bo8G1 ILE 35 HG12 0.05 -0.05 -0.28 -0.04 1.49 1.16 2bo8G1 ILE 35 HG13 0.09 0.03 -0.08 -0.04 1.21 1.21 2bo8G1 ILE 35 HG23 -0.00 0.07 -0.11 -0.04 0.93 0.85 2bo8G1 ILE 35 HD13 0.01 0.04 -0.18 -0.04 0.88 0.71 2bo8G1 GLY 36 H -0.08 0.84 0.35 -0.55 8.43 8.99 2bo8G1 GLY 36 HA2 -1.58 0.21 0.88 -0.51 4.01 3.01 2bo8G1 GLY 36 HA3 -0.55 -0.02 0.29 -0.51 4.01 3.22 2bo8G1 TYR 37 H -0.32 0.42 0.42 -0.55 8.29 8.27 2bo8G1 TYR 37 HA -0.19 0.09 0.72 -0.75 4.56 4.42 2bo8G1 TYR 37 HB2 -0.26 -0.02 0.21 -0.04 3.06 2.95 2bo8G1 TYR 37 HB3 -0.26 -0.07 0.28 -0.04 2.98 2.89 2bo8G1 TYR 37 HD2 -0.17 -0.04 -0.08 -0.04 7.15 6.82 2bo8G1 TYR 37 HE2 -0.08 0.13 -0.04 -0.04 6.85 6.81 2bo8G1 GLU 38 H 0.02 0.15 0.16 -0.55 8.60 8.38 2bo8G1 GLU 38 HA -0.23 0.26 0.65 -0.75 4.29 4.21 2bo8G1 GLU 38 HB2 -0.10 0.02 0.09 -0.04 2.09 2.06 2bo8G1 GLU 38 HB3 -0.18 0.06 -0.19 -0.04 1.99 1.64 2bo8G1 GLU 38 HG2 0.16 -0.11 -0.12 -0.04 2.34 2.23 2bo8G1 GLU 38 HG3 0.08 0.03 -0.34 -0.04 2.34 2.06 2bo8G1 ARG 39 H -0.18 0.22 0.07 -0.55 8.46 8.02 2bo8G1 ARG 39 HA -0.43 0.09 0.64 -0.75 4.34 3.89 2bo8G1 ARG 39 HB2 -0.32 0.02 0.14 -0.04 1.90 1.70 2bo8G1 ARG 39 HB3 -0.14 0.02 0.25 -0.04 1.80 1.89 2bo8G1 ARG 39 HG2 -0.10 0.01 -0.02 -0.04 1.67 1.52 2bo8G1 ARG 39 HG3 -0.85 -0.00 -0.02 -0.04 1.67 0.76 2bo8G1 ARG 39 HD2 -0.23 0.00 0.02 -0.04 3.22 2.97 2bo8G1 ARG 39 HD3 -0.09 0.01 0.02 -0.04 3.22 3.11 2bo8G1 ASP 40 H 0.20 0.28 0.07 -0.55 8.40 8.40 2bo8G1 ASP 40 HA 0.10 0.29 0.79 -0.75 4.63 5.05 2bo8G1 ASP 40 HB2 0.16 -0.09 0.20 -0.04 2.71 2.95 2bo8G1 ASP 40 HB3 0.20 0.07 -0.03 -0.04 2.70 2.90 2bo8G1 GLN 41 H 0.10 0.18 0.15 -0.55 8.47 8.35 2bo8G1 GLN 41 HA 0.07 0.14 0.51 -0.75 4.36 4.32 2bo8G1 GLN 41 HB2 0.07 -0.11 0.20 -0.04 2.15 2.26 2bo8G1 GLN 41 HB3 0.04 0.07 0.07 -0.04 2.02 2.16 2bo8G1 GLN 41 HG2 0.05 -0.04 0.16 -0.04 2.40 2.54 2bo8G1 GLN 41 HG3 0.03 0.04 0.09 -0.04 2.39 2.51 2bo8G1 GLN 41 HE21 0.02 0.05 0.03 -0.04 6.97 7.03 2bo8G1 GLN 41 HE22 0.02 0.00 0.04 -0.04 7.69 7.71 2bo8G1 THR 42 H 0.11 0.12 0.01 -0.55 8.28 7.97 2bo8G1 THR 42 HA -0.03 0.05 0.38 -0.75 4.39 4.03 2bo8G1 THR 42 HB 0.18 0.03 0.00 -0.04 4.32 4.49 2bo8G1 THR 42 HG23 -0.33 -0.00 -0.17 -0.04 1.22 0.68 2bo8G1 TYR 43 H 0.36 0.02 -0.26 -0.55 8.29 7.86 2bo8G1 TYR 43 HA 0.16 0.03 0.33 -0.75 4.56 4.32 2bo8G1 TYR 43 HB2 0.30 0.00 0.21 -0.04 3.06 3.53 2bo8G1 TYR 43 HB3 0.13 0.14 0.07 -0.04 2.98 3.28 2bo8G1 TYR 43 HD2 0.16 0.01 -0.22 -0.04 7.15 7.06 2bo8G1 TYR 43 HE2 0.05 0.03 -0.32 -0.04 6.85 6.57 2bo8G1 GLU 44 H 0.20 0.50 -0.15 -0.55 8.60 8.60 2bo8G1 GLU 44 HA 0.15 0.04 0.36 -0.75 4.29 4.09 2bo8G1 GLU 44 HB2 0.12 0.13 0.14 -0.04 2.09 2.44 2bo8G1 GLU 44 HB3 0.06 -0.01 0.04 -0.04 1.99 2.04 2bo8G1 GLU 44 HG2 0.06 -0.02 -0.02 -0.04 2.34 2.33 2bo8G1 GLU 44 HG3 0.08 -0.00 0.04 -0.04 2.34 2.42 2bo8G1 ALA 45 H 0.02 0.56 -0.03 -0.55 8.40 8.40 2bo8G1 ALA 45 HA -0.02 0.03 0.45 -0.75 4.34 4.04 2bo8G1 ALA 45 HB3 -0.05 0.01 0.11 -0.04 1.41 1.45 2bo8G1 VAL 46 H -0.15 0.53 -0.01 -0.55 8.24 8.06 2bo8G1 VAL 46 HA -0.13 -0.01 0.33 -0.75 4.13 3.56 2bo8G1 VAL 46 HB -0.28 0.10 0.05 -0.04 2.12 1.95 2bo8G1 VAL 46 HG13 -0.17 -0.00 -0.17 -0.04 0.97 0.59 2bo8G1 VAL 46 HG23 -0.40 0.05 -0.02 -0.04 0.95 0.54 2bo8G1 GLU 47 H -0.13 0.53 -0.19 -0.55 8.60 8.27 2bo8G1 GLU 47 HA -0.09 0.01 0.40 -0.75 4.29 3.86 2bo8G1 GLU 47 HB2 -0.15 0.08 0.13 -0.04 2.09 2.10 2bo8G1 GLU 47 HB3 0.01 0.05 0.11 -0.04 1.99 2.12 2bo8G1 GLU 47 HG2 0.02 0.02 -0.02 -0.04 2.34 2.32 2bo8G1 GLU 47 HG3 -0.03 -0.03 0.09 -0.04 2.34 2.33 2bo8G1 ARG 48 H -0.02 0.50 -0.11 -0.55 8.46 8.28 2bo8G1 ARG 48 HA -0.00 0.03 0.51 -0.75 4.34 4.12 2bo8G1 ARG 48 HB2 -0.01 0.16 0.23 -0.04 1.90 2.24 2bo8G1 ARG 48 HB3 -0.01 -0.04 -0.02 -0.04 1.80 1.69 2bo8G1 ARG 48 HG2 0.00 -0.02 0.06 -0.04 1.67 1.68 2bo8G1 ARG 48 HG3 0.01 -0.02 0.05 -0.04 1.67 1.67 2bo8G1 ARG 48 HD2 0.00 -0.02 -0.01 -0.04 3.22 3.15 2bo8G1 ARG 48 HD3 0.01 -0.04 -0.00 -0.04 3.22 3.15 2bo8G1 ALA 49 H -0.04 0.46 -0.09 -0.55 8.40 8.18 2bo8G1 ALA 49 HA -0.03 0.01 0.41 -0.75 4.34 3.98 2bo8G1 ALA 49 HB3 -0.05 -0.02 0.05 -0.04 1.41 1.34 2bo8G1 ALA 50 H -0.05 0.62 -0.12 -0.55 8.40 8.31 2bo8G1 ALA 50 HA -0.03 -0.09 0.23 -0.75 4.34 3.70 2bo8G1 ALA 50 HB3 -0.03 0.07 0.02 -0.04 1.41 1.43 2bo8G1 PRO 51 HA 0.01 0.04 0.33 -0.51 4.44 4.31 2bo8G1 PRO 51 HB2 0.00 0.01 0.00 -0.04 2.28 2.26 2bo8G1 PRO 51 HB3 0.01 -0.00 0.09 -0.04 2.02 2.08 2bo8G1 PRO 51 HG2 0.01 0.03 0.09 -0.04 2.03 2.12 2bo8G1 PRO 51 HG3 0.01 0.00 0.11 -0.04 2.03 2.11 2bo8G1 PRO 51 HD2 -0.01 0.32 -0.32 -0.04 3.68 3.63 2bo8G1 PRO 51 HD3 -0.01 0.26 0.11 -0.04 3.65 3.97 2bo8G1 GLU 52 H -0.01 0.29 -0.24 -0.55 8.60 8.10 2bo8G1 GLU 52 HA -0.00 0.01 0.49 -0.75 4.29 4.04 2bo8G1 GLU 52 HB2 -0.01 0.01 0.14 -0.04 2.09 2.19 2bo8G1 GLU 52 HB3 -0.01 0.13 0.18 -0.04 1.99 2.25 2bo8G1 GLU 52 HG2 -0.00 -0.03 0.04 -0.04 2.34 2.31 2bo8G1 GLU 52 HG3 -0.01 -0.04 0.01 -0.04 2.34 2.27 2bo8G1 ILE 53 H -0.01 0.49 0.01 -0.55 8.25 8.18 2bo8G1 ILE 53 HA -0.01 -0.02 0.32 -0.75 4.18 3.71 2bo8G1 ILE 53 HB -0.02 0.08 0.07 -0.04 1.89 1.98 2bo8G1 ILE 53 HG12 -0.03 -0.02 -0.03 -0.04 1.49 1.36 2bo8G1 ILE 53 HG13 -0.03 0.06 -0.01 -0.04 1.21 1.19 2bo8G1 ILE 53 HG23 -0.02 0.01 -0.25 -0.04 0.93 0.63 2bo8G1 ILE 53 HD13 -0.06 -0.03 -0.15 -0.04 0.88 0.61 2bo8G1 SER 54 H 0.00 0.58 -0.04 -0.55 8.46 8.45 2bo8G1 SER 54 HA 0.01 0.22 0.40 -0.75 4.49 4.36 2bo8G1 SER 54 HB2 0.03 -0.02 -0.16 -0.04 3.95 3.77 2bo8G1 SER 54 HB3 0.03 0.03 0.12 -0.04 3.93 4.07 2bo8G1 ARG 55 H 0.01 0.40 -0.33 -0.55 8.46 7.98 2bo8G1 ARG 55 HA 0.02 0.01 0.46 -0.75 4.34 4.08 2bo8G1 ARG 55 HB2 0.01 0.09 0.17 -0.04 1.90 2.13 2bo8G1 ARG 55 HB3 0.01 0.08 0.20 -0.04 1.80 2.04 2bo8G1 ARG 55 HG2 0.01 -0.00 0.01 -0.04 1.67 1.64 2bo8G1 ARG 55 HG3 0.01 -0.04 0.05 -0.04 1.67 1.65 2bo8G1 ARG 55 HD2 0.01 -0.05 -0.02 -0.04 3.22 3.12 2bo8G1 ARG 55 HD3 0.01 -0.05 0.00 -0.04 3.22 3.14 2bo8G1 ALA 56 H 0.00 0.56 -0.01 -0.55 8.40 8.40 2bo8G1 ALA 56 HA 0.00 -0.02 0.43 -0.75 4.34 4.00 2bo8G1 ALA 56 HB3 -0.01 -0.02 0.07 -0.04 1.41 1.42 2bo8G1 THR 57 H 0.00 0.33 -0.29 -0.55 8.28 7.77 2bo8G1 THR 57 HA -0.00 0.15 0.77 -0.75 4.39 4.55 2bo8G1 THR 57 HB -0.01 0.20 -0.12 -0.04 4.32 4.35 2bo8G1 THR 57 HG23 -0.01 -0.03 -0.18 -0.04 1.22 0.96 2bo8G1 GLY 58 H 0.01 0.34 -0.11 -0.55 8.43 8.13 2bo8G1 GLY 58 HA2 0.03 -0.03 0.34 -0.51 4.01 3.83 2bo8G1 GLY 58 HA3 0.03 0.02 0.46 -0.51 4.01 4.01 2bo8G1 THR 59 H 0.02 0.04 -0.39 -0.55 8.28 7.40 2bo8G1 THR 59 HA 0.05 0.25 0.94 -0.75 4.39 4.88 2bo8G1 THR 59 HB -0.03 -0.05 -0.20 -0.04 4.32 4.01 2bo8G1 THR 59 HG23 0.00 0.11 -0.10 -0.04 1.22 1.19 2bo8G1 PRO 60 HA 0.06 -0.05 0.39 -0.51 4.44 4.33 2bo8G1 PRO 60 HB2 0.14 -0.03 -0.05 -0.04 2.28 2.30 2bo8G1 PRO 60 HB3 0.11 -0.01 0.08 -0.04 2.02 2.16 2bo8G1 PRO 60 HG2 0.17 0.03 0.28 -0.04 2.03 2.48 2bo8G1 PRO 60 HG3 0.21 0.00 0.14 -0.04 2.03 2.34 2bo8G1 PRO 60 HD2 0.09 0.35 0.28 -0.04 3.68 4.35 2bo8G1 PRO 60 HD3 0.11 0.12 0.14 -0.04 3.65 3.97 2bo8G1 VAL 61 H 0.04 0.16 0.20 -0.55 8.24 8.09 2bo8G1 VAL 61 HA 0.04 0.30 1.05 -0.75 4.13 4.77 2bo8G1 VAL 61 HB 0.00 -0.05 0.12 -0.04 2.12 2.15 2bo8G1 VAL 61 HG13 -0.01 -0.03 -0.15 -0.04 0.97 0.74 2bo8G1 VAL 61 HG23 0.01 0.05 -0.15 -0.04 0.95 0.82 2bo8G1 SER 62 H 0.02 0.63 0.34 -0.55 8.46 8.90 2bo8G1 SER 62 HA -0.01 0.14 0.82 -0.75 4.49 4.69 2bo8G1 SER 62 HB2 -0.01 0.03 0.02 -0.04 3.95 3.96 2bo8G1 SER 62 HB3 0.04 0.05 -0.09 -0.04 3.93 3.89 2bo8G1 VAL 63 H -0.05 0.22 0.19 -0.55 8.24 8.06 2bo8G1 VAL 63 HA -0.02 0.23 1.09 -0.75 4.13 4.67 2bo8G1 VAL 63 HB -0.46 -0.01 -0.03 -0.04 2.12 1.58 2bo8G1 VAL 63 HG13 -0.24 -0.02 0.00 -0.04 0.97 0.68 2bo8G1 VAL 63 HG23 -0.19 0.01 -0.18 -0.04 0.95 0.54 2bo8G1 ARG 64 H 0.07 0.68 0.36 -0.55 8.46 9.01 2bo8G1 ARG 64 HA 0.19 0.08 0.60 -0.75 4.34 4.46 2bo8G1 ARG 64 HB2 0.01 -0.04 -0.10 -0.04 1.90 1.73 2bo8G1 ARG 64 HB3 0.05 0.11 0.01 -0.04 1.80 1.94 2bo8G1 ARG 64 HG2 0.02 0.05 -0.06 -0.04 1.67 1.64 2bo8G1 ARG 64 HG3 -0.06 -0.11 -0.69 -0.04 1.67 0.76 2bo8G1 ARG 64 HD2 -0.41 0.01 -0.17 -0.04 3.22 2.61 2bo8G1 ARG 64 HD3 -0.17 -0.03 -0.17 -0.04 3.22 2.80 2bo8G1 LEU 65 H 0.14 0.13 0.10 -0.55 8.37 8.19 2bo8G1 LEU 65 HA 0.01 0.08 0.64 -0.75 4.35 4.32 2bo8G1 LEU 65 HB2 -0.03 -0.03 0.08 -0.04 1.64 1.62 2bo8G1 LEU 65 HB3 -0.10 0.22 -0.05 -0.04 1.64 1.67 2bo8G1 LEU 65 HG -0.18 0.01 -0.02 -0.04 1.64 1.41 2bo8G1 LEU 65 HD13 -0.27 -0.02 -0.36 -0.04 0.93 0.24 2bo8G1 LEU 65 HD23 -0.19 -0.01 -0.02 -0.04 0.89 0.62 2bo8G1 GLN 66 H -0.09 0.63 0.26 -0.55 8.47 8.72 2bo8G1 GLN 66 HA -0.00 0.04 0.44 -0.75 4.36 4.08 2bo8G1 GLN 66 HB2 -0.03 0.07 -0.23 -0.04 2.15 1.92 2bo8G1 GLN 66 HB3 -0.05 -0.06 -0.04 -0.04 2.02 1.83 2bo8G1 GLN 66 HG2 -0.16 0.15 0.18 -0.04 2.40 2.53 2bo8G1 GLN 66 HG3 -0.12 -0.02 -0.22 -0.04 2.39 1.99 2bo8G1 GLN 66 HE21 -0.01 -0.11 -0.18 -0.04 6.97 6.63 2bo8G1 GLN 66 HE22 -0.07 0.10 -0.29 -0.04 7.69 7.38 2bo8G1 GLU 67 H 0.01 0.16 0.14 -0.55 8.60 8.37 2bo8G1 GLU 67 HA -0.02 0.14 0.78 -0.75 4.29 4.42 2bo8G1 GLU 67 HB2 0.04 -0.01 0.00 -0.04 2.09 2.08 2bo8G1 GLU 67 HB3 0.02 0.05 -0.06 -0.04 1.99 1.97 2bo8G1 GLU 67 HG2 0.03 0.00 -0.03 -0.04 2.34 2.30 2bo8G1 GLU 67 HG3 0.03 0.04 -0.15 -0.04 2.34 2.23 2bo8G1 ARG 68 H -0.03 0.16 0.07 -0.55 8.46 8.11 2bo8G1 ARG 68 HA -0.04 -0.03 0.55 -0.75 4.34 4.06 2bo8G1 ARG 68 HB2 -0.05 -0.03 0.07 -0.04 1.90 1.86 2bo8G1 ARG 68 HB3 -0.03 -0.00 0.18 -0.04 1.80 1.91 2bo8G1 ARG 68 HG2 -0.02 -0.02 0.00 -0.04 1.67 1.59 2bo8G1 ARG 68 HG3 -0.03 0.12 -0.23 -0.04 1.67 1.50 2bo8G1 ARG 68 HD2 -0.04 -0.07 -0.02 -0.04 3.22 3.05 2bo8G1 ARG 68 HD3 -0.03 0.05 -0.04 -0.04 3.22 3.16 2bo8G1 LEU 69 H -0.04 0.02 0.21 -0.55 8.37 8.02 2bo8G1 LEU 69 HA -0.02 0.25 0.90 -0.75 4.35 4.72 2bo8G1 LEU 69 HB2 -0.06 -0.06 -0.02 -0.04 1.64 1.47 2bo8G1 LEU 69 HB3 -0.09 0.04 -0.07 -0.04 1.64 1.48 2bo8G1 LEU 69 HG 0.01 0.04 -0.33 -0.04 1.64 1.31 2bo8G1 LEU 69 HD13 -0.01 -0.02 -0.25 -0.04 0.93 0.62 2bo8G1 LEU 69 HD23 0.04 0.04 -0.22 -0.04 0.89 0.71 2bo8G1 GLY 70 H -0.05 -0.14 0.06 -0.55 8.43 7.76 2bo8G1 GLY 70 HA2 -0.04 0.24 0.75 -0.51 4.01 4.45 2bo8G1 GLY 70 HA3 -0.05 -0.09 0.37 -0.51 4.01 3.73 2bo8G1 THR 71 H -0.03 0.24 0.34 -0.55 8.28 8.28 2bo8G1 THR 71 HA -0.02 0.30 0.94 -0.75 4.39 4.85 2bo8G1 THR 71 HB -0.02 0.00 0.05 -0.04 4.32 4.31 2bo8G1 THR 71 HG23 -0.02 0.02 -0.18 -0.04 1.22 1.00 2bo8G1 LEU 72 H -0.03 0.08 0.23 -0.55 8.37 8.11 2bo8G1 LEU 72 HA -0.02 0.29 0.88 -0.75 4.35 4.75 2bo8G1 LEU 72 HB2 -0.03 -0.17 0.25 -0.04 1.64 1.64 2bo8G1 LEU 72 HB3 -0.02 -0.37 0.26 -0.04 1.64 1.47 2bo8G1 LEU 72 HG -0.00 -0.00 0.04 -0.04 1.64 1.64 2bo8G1 LEU 72 HD13 -0.01 0.03 -0.13 -0.04 0.93 0.78 2bo8G1 LEU 72 HD23 -0.03 0.02 -0.02 -0.04 0.89 0.83 2bo8G1 ARG 73 H -0.03 -0.04 0.09 -0.55 8.46 7.93 2bo8G1 ARG 73 HA -0.02 0.25 0.43 -0.75 4.34 4.25 2bo8G1 ARG 73 HB2 -0.01 0.01 0.09 -0.04 1.90 1.95 2bo8G1 ARG 73 HB3 -0.07 -0.21 0.01 -0.04 1.80 1.50 2bo8G1 ARG 73 HG2 -0.04 0.16 -0.15 -0.04 1.67 1.59 2bo8G1 ARG 73 HG3 -0.01 0.09 0.04 -0.04 1.67 1.74 2bo8G1 ARG 73 HD2 -0.04 0.05 -0.02 -0.04 3.22 3.17 2bo8G1 ARG 73 HD3 -0.00 0.01 0.00 -0.04 3.22 3.19 2bo8G1 PRO 74 HA -0.05 0.01 0.71 -0.51 4.44 4.59 2bo8G1 PRO 74 HB2 -0.03 0.03 0.02 -0.04 2.28 2.26 2bo8G1 PRO 74 HB3 -0.05 0.08 0.05 -0.04 2.02 2.06 2bo8G1 PRO 74 HG2 0.02 -0.02 0.13 -0.04 2.03 2.12 2bo8G1 PRO 74 HG3 -0.03 0.09 0.07 -0.04 2.03 2.13 2bo8G1 PRO 74 HD2 -0.01 0.00 0.19 -0.04 3.68 3.83 2bo8G1 PRO 74 HD3 -0.02 0.31 0.14 -0.04 3.65 4.04 2bo8G1 GLY 75 H -0.10 0.29 -0.01 -0.55 8.43 8.07 2bo8G1 GLY 75 HA2 -0.14 0.15 0.56 -0.51 4.01 4.07 2bo8G1 GLY 75 HA3 -0.34 -0.17 0.26 -0.51 4.01 3.25 2bo8G1 LYS 76 H -0.65 0.03 0.05 -0.55 8.42 7.29 2bo8G1 LYS 76 HA -0.22 0.06 0.10 -0.75 4.32 3.50 2bo8G1 LYS 76 HB2 -0.67 -0.06 0.08 -0.04 1.87 1.18 2bo8G1 LYS 76 HB3 -0.21 0.07 0.00 -0.04 1.79 1.61 2bo8G1 LYS 76 HG2 -0.07 -0.01 0.02 -0.04 1.46 1.37 2bo8G1 LYS 76 HG3 -0.06 -0.02 0.00 -0.04 1.46 1.33 2bo8G1 LYS 76 HD2 0.27 -0.03 0.00 -0.04 1.69 1.89 2bo8G1 LYS 76 HD3 0.03 0.03 -0.06 -0.04 1.68 1.63 2bo8G1 LYS 76 HE2 0.06 0.04 -0.01 -0.04 2.99 3.04 2bo8G1 LYS 76 HE3 0.17 -0.06 0.01 -0.04 2.99 3.07 2bo8G1 GLY 77 H -0.19 0.20 -0.24 -0.55 8.43 7.66 2bo8G1 GLY 77 HA2 -0.16 -0.05 0.32 -0.51 4.01 3.62 2bo8G1 GLY 77 HA3 -0.13 0.32 0.30 -0.51 4.01 3.98 2bo8G1 ASP 78 H -0.09 0.39 0.07 -0.55 8.40 8.21 2bo8G1 ASP 78 HA -0.04 0.03 0.41 -0.75 4.63 4.27 2bo8G1 ASP 78 HB2 -0.06 0.01 0.11 -0.04 2.71 2.73 2bo8G1 ASP 78 HB3 -0.05 0.19 -0.02 -0.04 2.70 2.78 2bo8G1 GLY 79 H -0.06 0.39 -0.38 -0.55 8.43 7.84 2bo8G1 GLY 79 HA2 -0.01 -0.01 0.27 -0.51 4.01 3.75 2bo8G1 GLY 79 HA3 -0.01 -0.01 0.28 -0.51 4.01 3.75 2bo8G1 MET 80 H 0.01 0.57 0.07 -0.55 8.47 8.58 2bo8G1 MET 80 HA 0.36 -0.02 0.36 -0.75 4.52 4.47 2bo8G1 MET 80 HB2 -0.04 0.06 0.08 -0.04 2.15 2.20 2bo8G1 MET 80 HB3 -0.08 0.01 -0.03 -0.04 2.03 1.88 2bo8G1 MET 80 HG2 -0.05 -0.01 -0.00 -0.04 2.63 2.52 2bo8G1 MET 80 HG3 -0.03 0.07 0.04 -0.04 2.56 2.60 2bo8G1 MET 80 HE3 -0.75 0.03 -0.07 -0.04 2.10 1.27 2bo8G1 ASN 81 H 0.06 0.72 -0.10 -0.55 8.53 8.67 2bo8G1 ASN 81 HA 0.19 -0.01 0.41 -0.75 4.76 4.60 2bo8G1 ASN 81 HB2 -0.03 0.07 0.01 -0.04 2.88 2.88 2bo8G1 ASN 81 HB3 -0.15 0.00 -0.01 -0.04 2.79 2.58 2bo8G1 ASN 81 HD21 -0.06 0.14 -0.20 -0.04 7.03 6.87 2bo8G1 ASN 81 HD22 -0.08 0.06 -0.16 -0.04 7.74 7.51 2bo8G1 THR 82 H 0.09 0.67 -0.25 -0.55 8.28 8.24 2bo8G1 THR 82 HA 0.17 0.05 0.61 -0.75 4.39 4.46 2bo8G1 THR 82 HB 0.07 0.12 0.20 -0.04 4.32 4.67 2bo8G1 THR 82 HG23 0.10 0.02 -0.04 -0.04 1.22 1.25 2bo8G1 ALA 83 H 0.20 0.51 -0.02 -0.55 8.40 8.53 2bo8G1 ALA 83 HA 0.20 -0.02 0.26 -0.75 4.34 4.03 2bo8G1 ALA 83 HB3 0.20 0.01 0.04 -0.04 1.41 1.62 2bo8G1 LEU 84 H 0.40 0.62 -0.01 -0.55 8.37 8.84 2bo8G1 LEU 84 HA 0.36 -0.03 0.42 -0.75 4.35 4.34 2bo8G1 LEU 84 HB2 0.35 0.02 0.12 -0.04 1.64 2.08 2bo8G1 LEU 84 HB3 0.61 0.05 -0.06 -0.04 1.64 2.20 2bo8G1 LEU 84 HG 0.27 0.08 0.01 -0.04 1.64 1.96 2bo8G1 LEU 84 HD13 0.30 -0.00 -0.06 -0.04 0.93 1.12 2bo8G1 LEU 84 HD23 0.10 -0.03 -0.11 -0.04 0.89 0.81 2bo8G1 ARG 85 H 0.42 0.62 -0.20 -0.55 8.46 8.76 2bo8G1 ARG 85 HA -0.06 -0.01 0.24 -0.75 4.34 3.75 2bo8G1 ARG 85 HB2 0.65 0.06 0.12 -0.04 1.90 2.69 2bo8G1 ARG 85 HB3 0.27 0.05 0.10 -0.04 1.80 2.18 2bo8G1 ARG 85 HG2 0.05 -0.05 -0.09 -0.04 1.67 1.54 2bo8G1 ARG 85 HG3 -0.00 -0.00 0.01 -0.04 1.67 1.64 2bo8G1 ARG 85 HD2 0.11 -0.02 -0.04 -0.04 3.22 3.23 2bo8G1 ARG 85 HD3 0.26 0.00 -0.03 -0.04 3.22 3.42 2bo8G1 TYR 86 H 0.34 0.65 -0.24 -0.55 8.29 8.50 2bo8G1 TYR 86 HA 0.08 -0.04 0.10 -0.75 4.56 3.95 2bo8G1 TYR 86 HB2 0.12 -0.04 -0.03 -0.04 3.06 3.07 2bo8G1 TYR 86 HB3 0.15 0.07 0.10 -0.04 2.98 3.27 2bo8G1 TYR 86 HD2 0.13 -0.01 -0.16 -0.04 7.15 7.07 2bo8G1 TYR 86 HE2 0.15 -0.01 -0.15 -0.04 6.85 6.80 2bo8G1 PHE 87 H 0.46 0.64 -0.06 -0.55 8.34 8.82 2bo8G1 PHE 87 HA 0.08 -0.07 0.25 -0.75 4.62 4.13 2bo8G1 PHE 87 HB2 0.14 -0.05 -0.04 -0.04 3.15 3.16 2bo8G1 PHE 87 HB3 0.10 0.21 0.06 -0.04 3.06 3.39 2bo8G1 PHE 87 HD2 0.16 -0.02 -0.12 -0.04 7.28 7.26 2bo8G1 PHE 87 HE2 0.16 -0.09 -0.29 -0.04 7.38 7.13 2bo8G1 PHE 87 HZ 0.09 -0.04 -0.65 -0.04 7.32 6.68 2bo8G1 LEU 88 H 0.05 0.57 -0.19 -0.55 8.37 8.25 2bo8G1 LEU 88 HA -0.43 0.07 0.60 -0.75 4.35 3.84 2bo8G1 LEU 88 HB2 -0.20 0.04 0.05 -0.04 1.64 1.49 2bo8G1 LEU 88 HB3 -0.19 -0.06 -0.02 -0.04 1.64 1.32 2bo8G1 LEU 88 HG 0.14 0.10 -0.06 -0.04 1.64 1.78 2bo8G1 LEU 88 HD13 -0.04 0.01 -0.24 -0.04 0.93 0.62 2bo8G1 LEU 88 HD23 -0.06 -0.04 -0.17 -0.04 0.89 0.57 2bo8G1 GLU 89 H -0.13 0.86 0.12 -0.55 8.60 8.90 2bo8G1 GLU 89 HA -0.16 0.13 0.62 -0.75 4.29 4.12 2bo8G1 GLU 89 HB2 -0.08 0.05 0.06 -0.04 2.09 2.08 2bo8G1 GLU 89 HB3 -0.09 -0.08 0.08 -0.04 1.99 1.86 2bo8G1 GLU 89 HG2 -0.16 -0.01 -0.06 -0.04 2.34 2.06 2bo8G1 GLU 89 HG3 -0.21 0.04 0.04 -0.04 2.34 2.17 2bo8G1 GLU 90 H -0.28 0.52 -0.07 -0.55 8.60 8.22 2bo8G1 GLU 90 HA -0.21 0.15 0.90 -0.75 4.29 4.38 2bo8G1 GLU 90 HB2 -0.67 0.09 0.01 -0.04 2.09 1.48 2bo8G1 GLU 90 HB3 -0.33 -0.08 0.07 -0.04 1.99 1.61 2bo8G1 GLU 90 HG2 -0.10 0.07 -0.20 -0.04 2.34 2.07 2bo8G1 GLU 90 HG3 -0.10 -0.05 -0.31 -0.04 2.34 1.84 2bo8G1 THR 91 H -0.34 0.30 -0.08 -0.55 8.28 7.60 2bo8G1 THR 91 HA -0.44 0.18 0.73 -0.75 4.39 4.10 2bo8G1 THR 91 HB -0.72 -0.09 0.14 -0.04 4.32 3.61 2bo8G1 THR 91 HG23 -0.15 0.05 -0.33 -0.04 1.22 0.75 2bo8G1 GLN 92 H -1.12 0.11 0.11 -0.55 8.47 7.02 2bo8G1 GLN 92 HA -0.35 0.30 0.96 -0.75 4.36 4.51 2bo8G1 GLN 92 HB2 -0.54 -0.03 0.03 -0.04 2.15 1.56 2bo8G1 GLN 92 HB3 -0.45 -0.02 0.00 -0.04 2.02 1.51 2bo8G1 GLN 92 HG2 -0.21 -0.05 0.02 -0.04 2.40 2.12 2bo8G1 GLN 92 HG3 -0.20 0.01 0.11 -0.04 2.39 2.26 2bo8G1 GLN 92 HE21 -0.16 0.00 -0.06 -0.04 6.97 6.71 2bo8G1 GLN 92 HE22 -0.16 -0.05 -0.03 -0.04 7.69 7.42 2bo8G1 TRP 93 H -0.48 0.05 -0.09 -0.55 7.97 6.91 2bo8G1 TRP 93 HA 0.07 0.08 0.25 -0.75 4.62 4.26 2bo8G1 TRP 93 HB2 0.45 0.01 -0.03 -0.04 3.23 3.62 2bo8G1 TRP 93 HB3 0.25 0.02 0.08 -0.04 3.23 3.54 2bo8G1 TRP 93 HD1 0.25 -0.01 -0.05 -0.04 7.22 7.37 2bo8G1 TRP 93 HE1 0.14 0.02 -0.07 -0.04 10.20 10.25 2bo8G1 TRP 93 HE3 0.05 0.00 -0.04 -0.04 7.59 7.56 2bo8G1 TRP 93 HZ2 0.08 0.05 -0.02 -0.04 7.44 7.52 2bo8G1 TRP 93 HZ3 -0.29 0.01 -0.01 -0.04 7.13 6.79 2bo8G1 TRP 93 HH2 -0.03 0.03 0.02 -0.04 7.19 7.16 2bo8G1 GLU 94 H 0.39 0.17 0.21 -0.55 8.60 8.82 2bo8G1 GLU 94 HA 0.16 0.17 0.74 -0.75 4.29 4.60 2bo8G1 GLU 94 HB2 0.19 0.05 0.13 -0.04 2.09 2.41 2bo8G1 GLU 94 HB3 0.14 -0.05 0.09 -0.04 1.99 2.13 2bo8G1 GLU 94 HG2 0.12 0.04 0.06 -0.04 2.34 2.52 2bo8G1 GLU 94 HG3 0.09 -0.01 0.06 -0.04 2.34 2.44 2bo8G1 ARG 95 H 0.41 0.16 -0.00 -0.55 8.46 8.48 2bo8G1 ARG 95 HA 0.18 0.20 1.09 -0.75 4.34 5.05 2bo8G1 ARG 95 HB2 0.10 -0.01 -0.01 -0.04 1.90 1.94 2bo8G1 ARG 95 HB3 -0.02 0.06 -0.09 -0.04 1.80 1.71 2bo8G1 ARG 95 HG2 0.07 0.04 -0.12 -0.04 1.67 1.62 2bo8G1 ARG 95 HG3 0.14 -0.13 -0.45 -0.04 1.67 1.19 2bo8G1 ARG 95 HD2 0.11 0.03 -0.07 -0.04 3.22 3.25 2bo8G1 ARG 95 HD3 0.05 -0.02 -0.12 -0.04 3.22 3.08 2bo8G1 ILE 96 H -0.22 0.74 0.32 -0.55 8.25 8.55 2bo8G1 ILE 96 HA -0.33 0.31 1.16 -0.75 4.18 4.56 2bo8G1 ILE 96 HB -2.12 -0.00 -0.15 -0.04 1.89 -0.41 2bo8G1 ILE 96 HG12 -0.73 0.08 -0.21 -0.04 1.49 0.59 2bo8G1 ILE 96 HG13 -0.55 0.02 -0.04 -0.04 1.21 0.60 2bo8G1 ILE 96 HG23 -0.35 -0.01 -0.02 -0.04 0.93 0.52 2bo8G1 ILE 96 HD13 -0.49 -0.03 -0.21 -0.04 0.88 0.11 2bo8G1 HIS 97 H -0.06 0.83 0.48 -0.55 8.41 9.12 2bo8G1 HIS 97 HA -0.15 0.24 1.13 -0.75 4.63 5.09 2bo8G1 HIS 97 HB2 -0.11 -0.10 0.20 -0.04 3.26 3.21 2bo8G1 HIS 97 HB3 -0.28 -0.01 -0.02 -0.04 3.20 2.85 2bo8G1 HIS 97 HD2 -0.07 0.11 -0.21 -0.04 6.97 6.76 2bo8G1 HIS 97 HE1 0.17 0.02 -0.01 -0.04 7.75 7.89 2bo8G1 PHE 98 H -0.06 0.78 0.44 -0.55 8.34 8.94 2bo8G1 PHE 98 HA -0.20 0.29 0.97 -0.75 4.62 4.93 2bo8G1 PHE 98 HB2 -0.07 -0.03 0.18 -0.04 3.15 3.19 2bo8G1 PHE 98 HB3 -0.03 0.00 0.06 -0.04 3.06 3.05 2bo8G1 PHE 98 HD2 -0.04 0.01 -0.10 -0.04 7.28 7.10 2bo8G1 PHE 98 HE2 -0.03 -0.03 -0.08 -0.04 7.38 7.20 2bo8G1 PHE 98 HZ 0.06 0.03 -0.04 -0.04 7.32 7.32 2bo8G1 TYR 99 H -0.10 0.66 0.33 -0.55 8.29 8.63 2bo8G1 TYR 99 HA 0.16 0.05 0.63 -0.75 4.56 4.65 2bo8G1 TYR 99 HB2 -0.40 0.03 -0.01 -0.04 3.06 2.64 2bo8G1 TYR 99 HB3 -0.12 -0.03 0.00 -0.04 2.98 2.80 2bo8G1 TYR 99 HD2 -0.03 -0.03 -0.09 -0.04 7.15 6.96 2bo8G1 TYR 99 HE2 -0.13 -0.00 -0.12 -0.04 6.85 6.55 2bo8G1 ASP 100 H 0.26 0.05 0.01 -0.55 8.40 8.17 2bo8G1 ASP 100 HA 0.20 0.14 0.58 -0.75 4.63 4.80 2bo8G1 ASP 100 HB2 0.12 0.00 0.09 -0.04 2.71 2.88 2bo8G1 ASP 100 HB3 0.10 -0.16 0.03 -0.04 2.70 2.64 2bo8G1 ALA 101 H 0.18 0.22 0.25 -0.55 8.40 8.51 2bo8G1 ALA 101 HA 0.07 0.19 0.28 -0.75 4.34 4.14 2bo8G1 ALA 101 HB3 0.14 -0.00 -0.03 -0.04 1.41 1.48 2bo8G1 ASP 102 H 0.09 0.01 -0.23 -0.55 8.40 7.73 2bo8G1 ASP 102 HA 0.04 0.14 0.36 -0.75 4.63 4.41 2bo8G1 ASP 102 HB2 0.10 -0.04 0.20 -0.04 2.71 2.94 2bo8G1 ASP 102 HB3 0.10 -0.02 0.08 -0.04 2.70 2.82 2bo8G1 ILE 103 H 0.00 0.25 -0.62 -0.55 8.25 7.33 2bo8G1 ILE 103 HA 0.07 0.11 0.38 -0.75 4.18 3.99 2bo8G1 ILE 103 HB -0.15 0.17 0.03 -0.04 1.89 1.90 2bo8G1 ILE 103 HG12 0.10 -0.03 -0.10 -0.04 1.49 1.43 2bo8G1 ILE 103 HG13 0.06 -0.16 -0.13 -0.04 1.21 0.94 2bo8G1 ILE 103 HG23 -0.22 -0.04 -0.18 -0.04 0.93 0.45 2bo8G1 ILE 103 HD13 0.18 0.07 -0.00 -0.04 0.88 1.09 2bo8G1 THR 104 H 0.04 0.81 0.40 -0.55 8.28 8.99 2bo8G1 THR 104 HA -0.01 0.25 0.99 -0.75 4.39 4.87 2bo8G1 THR 104 HB -0.03 -0.02 0.16 -0.04 4.32 4.39 2bo8G1 THR 104 HG23 -0.00 0.02 -0.07 -0.04 1.22 1.12 2bo8G1 SER 105 H 0.04 0.01 -0.02 -0.55 8.46 7.94 2bo8G1 SER 105 HA 0.07 0.27 0.83 -0.75 4.49 4.90 2bo8G1 SER 105 HB2 0.24 0.07 0.12 -0.04 3.95 4.34 2bo8G1 SER 105 HB3 0.12 0.01 -0.03 -0.04 3.93 3.98 2bo8G1 PHE 106 H -0.05 0.11 -0.29 -0.55 8.34 7.56 2bo8G1 PHE 106 HA -1.79 0.01 0.44 -0.75 4.62 2.53 2bo8G1 PHE 106 HB2 -0.65 -0.05 -0.02 -0.04 3.15 2.40 2bo8G1 PHE 106 HB3 -0.40 0.06 -0.04 -0.04 3.06 2.65 2bo8G1 PHE 106 HD2 -1.23 -0.03 -0.06 -0.04 7.28 5.92 2bo8G1 PHE 106 HE2 -0.91 0.01 -0.09 -0.04 7.38 6.35 2bo8G1 PHE 106 HZ -0.61 0.03 -0.11 -0.04 7.32 6.59 2bo8G1 GLY 107 H -1.65 0.16 0.21 -0.55 8.43 6.60 2bo8G1 GLY 107 HA2 -0.34 0.22 0.54 -0.51 4.01 3.92 2bo8G1 GLY 107 HA3 -0.14 0.05 0.29 -0.51 4.01 3.69 2bo8G1 PRO 108 HA -0.09 0.11 0.30 -0.51 4.44 4.25 2bo8G1 PRO 108 HB2 -0.02 0.03 -0.07 -0.04 2.28 2.19 2bo8G1 PRO 108 HB3 -0.04 0.18 0.05 -0.04 2.02 2.17 2bo8G1 PRO 108 HG2 -0.03 -0.03 0.08 -0.04 2.03 2.01 2bo8G1 PRO 108 HG3 -0.07 0.15 0.06 -0.04 2.03 2.13 2bo8G1 PRO 108 HD2 -0.07 0.10 0.20 -0.04 3.68 3.86 2bo8G1 PRO 108 HD3 -0.14 0.21 0.16 -0.04 3.65 3.84 2bo8G1 ASP 109 H 0.04 0.18 -0.05 -0.55 8.40 8.03 2bo8G1 ASP 109 HA 0.11 0.08 0.38 -0.75 4.63 4.45 2bo8G1 ASP 109 HB2 0.16 -0.11 -0.30 -0.04 2.71 2.43 2bo8G1 ASP 109 HB3 0.73 -0.04 -0.08 -0.04 2.70 3.27 2bo8G1 TRP 110 H 0.47 0.41 -0.23 -0.55 7.97 8.08 2bo8G1 TRP 110 HA 0.12 0.02 0.19 -0.75 4.62 4.20 2bo8G1 TRP 110 HB2 -0.45 0.08 0.07 -0.04 3.23 2.88 2bo8G1 TRP 110 HB3 -0.12 0.01 -0.04 -0.04 3.23 3.03 2bo8G1 TRP 110 HD1 -0.18 -0.12 0.01 -0.04 7.22 6.90 2bo8G1 TRP 110 HE1 -0.02 0.17 0.03 -0.04 10.20 10.34 2bo8G1 TRP 110 HE3 0.17 0.03 -0.05 -0.04 7.59 7.70 2bo8G1 TRP 110 HZ2 0.11 0.25 -0.17 -0.04 7.44 7.58 2bo8G1 TRP 110 HZ3 0.42 -0.05 -0.06 -0.04 7.13 7.39 2bo8G1 TRP 110 HH2 -0.07 -0.10 -0.11 -0.04 7.19 6.87 2bo8G1 ILE 111 H 0.01 0.24 -0.13 -0.55 8.25 7.82 2bo8G1 ILE 111 HA 0.27 0.05 0.48 -0.75 4.18 4.22 2bo8G1 ILE 111 HB -0.39 0.09 0.11 -0.04 1.89 1.66 2bo8G1 ILE 111 HG12 -0.22 0.02 -0.07 -0.04 1.49 1.18 2bo8G1 ILE 111 HG13 -0.14 -0.14 -0.06 -0.04 1.21 0.83 2bo8G1 ILE 111 HG23 -0.67 0.02 -0.15 -0.04 0.93 0.08 2bo8G1 ILE 111 HD13 -0.08 0.02 -0.08 -0.04 0.88 0.69 2bo8G1 THR 112 H 0.19 0.64 -0.01 -0.55 8.28 8.55 2bo8G1 THR 112 HA 0.20 0.04 0.28 -0.75 4.39 4.15 2bo8G1 THR 112 HB 0.14 0.05 0.14 -0.04 4.32 4.61 2bo8G1 THR 112 HG23 0.11 -0.01 -0.10 -0.04 1.22 1.18 2bo8G1 LYS 113 H 0.17 0.58 -0.15 -0.55 8.42 8.46 2bo8G1 LYS 113 HA 0.09 0.01 0.18 -0.75 4.32 3.84 2bo8G1 LYS 113 HB2 0.15 0.05 0.03 -0.04 1.87 2.05 2bo8G1 LYS 113 HB3 0.10 -0.05 -0.06 -0.04 1.79 1.73 2bo8G1 LYS 113 HG2 0.08 -0.02 0.00 -0.04 1.46 1.47 2bo8G1 LYS 113 HG3 0.09 0.09 0.05 -0.04 1.46 1.65 2bo8G1 LYS 113 HD2 0.03 -0.04 -0.02 -0.04 1.69 1.62 2bo8G1 LYS 113 HD3 0.00 -0.02 -0.11 -0.04 1.68 1.51 2bo8G1 LYS 113 HE2 0.07 -0.08 -0.06 -0.04 2.99 2.89 2bo8G1 LYS 113 HE3 0.08 -0.02 -0.00 -0.04 2.99 3.01 2bo8G1 ALA 114 H 0.28 0.44 -0.21 -0.55 8.40 8.36 2bo8G1 ALA 114 HA 0.04 -0.02 0.37 -0.75 4.34 3.97 2bo8G1 ALA 114 HB3 0.23 0.02 0.04 -0.04 1.41 1.67 2bo8G1 GLU 115 H 0.18 0.66 -0.16 -0.55 8.60 8.74 2bo8G1 GLU 115 HA 0.09 -0.00 0.24 -0.75 4.29 3.86 2bo8G1 GLU 115 HB2 0.12 0.10 0.08 -0.04 2.09 2.35 2bo8G1 GLU 115 HB3 0.11 -0.03 -0.01 -0.04 1.99 2.02 2bo8G1 GLU 115 HG2 0.27 -0.01 -0.01 -0.04 2.34 2.54 2bo8G1 GLU 115 HG3 0.04 -0.06 -0.12 -0.04 2.34 2.16 2bo8G1 GLU 116 H 0.09 0.47 -0.30 -0.55 8.60 8.32 2bo8G1 GLU 116 HA 0.08 0.06 0.48 -0.75 4.29 4.15 2bo8G1 GLU 116 HB2 0.05 0.06 0.09 -0.04 2.09 2.25 2bo8G1 GLU 116 HB3 0.04 -0.05 -0.02 -0.04 1.99 1.92 2bo8G1 GLU 116 HG2 0.07 -0.01 -0.03 -0.04 2.34 2.33 2bo8G1 GLU 116 HG3 0.09 0.14 -0.03 -0.04 2.34 2.51 2bo8G1 ALA 117 H -0.02 0.58 0.01 -0.55 8.40 8.42 2bo8G1 ALA 117 HA -0.12 -0.00 0.55 -0.75 4.34 4.01 2bo8G1 ALA 117 HB3 -0.33 0.00 0.06 -0.04 1.41 1.11 2bo8G1 ALA 118 H 0.07 0.57 -0.23 -0.55 8.40 8.26 2bo8G1 ALA 118 HA 0.14 0.04 0.29 -0.75 4.34 4.05 2bo8G1 ALA 118 HB3 0.06 0.00 -0.02 -0.04 1.41 1.40 2bo8G1 ASP 119 H 0.10 0.48 -0.29 -0.55 8.40 8.13 2bo8G1 ASP 119 HA 0.06 0.00 0.39 -0.75 4.63 4.34 2bo8G1 ASP 119 HB2 0.10 0.18 0.21 -0.04 2.71 3.17 2bo8G1 ASP 119 HB3 0.07 -0.09 -0.02 -0.04 2.70 2.62 2bo8G1 PHE 120 H 0.25 0.43 -0.11 -0.55 8.34 8.35 2bo8G1 PHE 120 HA -0.03 -0.02 0.52 -0.75 4.62 4.34 2bo8G1 PHE 120 HB2 -0.00 0.04 0.19 -0.04 3.15 3.34 2bo8G1 PHE 120 HB3 0.05 0.01 0.04 -0.04 3.06 3.12 2bo8G1 PHE 120 HD2 -0.12 0.01 -0.05 -0.04 7.28 7.08 2bo8G1 PHE 120 HE2 -0.01 -0.03 -0.02 -0.04 7.38 7.27 2bo8G1 PHE 120 HZ 0.00 -0.03 -0.01 -0.04 7.32 7.24 2bo8G1 GLY 121 H 0.11 0.39 -0.48 -0.55 8.43 7.91 2bo8G1 GLY 121 HA2 -0.04 0.03 0.25 -0.51 4.01 3.73 2bo8G1 GLY 121 HA3 -0.15 0.08 0.80 -0.51 4.01 4.24 2bo8G1 TYR 122 H 0.20 0.23 0.01 -0.55 8.29 8.17 2bo8G1 TYR 122 HA 0.06 0.01 0.15 -0.75 4.56 4.02 2bo8G1 TYR 122 HB2 0.06 -0.02 -0.17 -0.04 3.06 2.89 2bo8G1 TYR 122 HB3 0.08 0.04 -0.04 -0.04 2.98 3.02 2bo8G1 TYR 122 HD2 0.04 0.11 -0.31 -0.04 7.15 6.95 2bo8G1 TYR 122 HE2 -0.12 -0.01 -0.15 -0.04 6.85 6.53 2bo8G1 GLY 123 H 0.16 0.48 0.34 -0.55 8.43 8.85 2bo8G1 GLY 123 HA2 0.06 0.10 0.70 -0.51 4.01 4.36 2bo8G1 GLY 123 HA3 0.05 -0.04 0.42 -0.51 4.01 3.94 2bo8G1 LEU 124 H 0.14 0.38 0.19 -0.55 8.37 8.53 2bo8G1 LEU 124 HA 0.02 0.28 0.97 -0.75 4.35 4.86 2bo8G1 LEU 124 HB2 0.01 -0.04 -0.20 -0.04 1.64 1.37 2bo8G1 LEU 124 HB3 0.02 -0.04 0.00 -0.04 1.64 1.58 2bo8G1 LEU 124 HG -0.02 -0.02 -0.11 -0.04 1.64 1.45 2bo8G1 LEU 124 HD13 -0.01 -0.01 -0.24 -0.04 0.93 0.63 2bo8G1 LEU 124 HD23 -0.02 0.00 -0.13 -0.04 0.89 0.70 2bo8G1 VAL 125 H -0.02 0.98 0.36 -0.55 8.24 9.01 2bo8G1 VAL 125 HA -0.01 0.34 1.28 -0.75 4.13 4.98 2bo8G1 VAL 125 HB -0.06 -0.08 0.19 -0.04 2.12 2.13 2bo8G1 VAL 125 HG13 -0.05 -0.02 -0.12 -0.04 0.97 0.74 2bo8G1 VAL 125 HG23 0.04 0.03 -0.19 -0.04 0.95 0.79 2bo8G1 ARG 126 H -0.08 0.73 0.39 -0.55 8.46 8.96 2bo8G1 ARG 126 HA -0.02 0.20 1.18 -0.75 4.34 4.94 2bo8G1 ARG 126 HB2 -0.03 -0.11 0.05 -0.04 1.90 1.77 2bo8G1 ARG 126 HB3 0.03 0.09 0.04 -0.04 1.80 1.92 2bo8G1 ARG 126 HG2 0.01 0.03 -0.20 -0.04 1.67 1.46 2bo8G1 ARG 126 HG3 -0.02 0.02 -0.18 -0.04 1.67 1.44 2bo8G1 ARG 126 HD2 -0.02 0.05 -0.14 -0.04 3.22 3.06 2bo8G1 ARG 126 HD3 -0.03 -0.07 -0.13 -0.04 3.22 2.95 2bo8G1 HIS 127 H 0.13 0.53 0.24 -0.55 8.41 8.76 2bo8G1 HIS 127 HA -0.12 0.14 0.73 -0.75 4.63 4.63 2bo8G1 HIS 127 HB2 0.01 -0.07 0.09 -0.04 3.26 3.26 2bo8G1 HIS 127 HB3 -0.49 -0.02 0.02 -0.04 3.20 2.67 2bo8G1 HIS 127 HD2 0.18 -0.03 -0.61 -0.04 6.97 6.46 2bo8G1 HIS 127 HE1 0.35 0.43 0.06 -0.04 7.75 8.54 2bo8G1 TYR 128 H -0.25 0.72 0.43 -0.55 8.29 8.64 2bo8G1 TYR 128 HA -0.40 0.10 0.62 -0.75 4.56 4.13 2bo8G1 TYR 128 HB2 0.00 -0.03 0.07 -0.04 3.06 3.06 2bo8G1 TYR 128 HB3 -0.07 0.02 -0.19 -0.04 2.98 2.69 2bo8G1 TYR 128 HD2 0.02 0.05 -0.20 -0.04 7.15 6.97 2bo8G1 TYR 128 HE2 0.05 0.02 -0.25 -0.04 6.85 6.63 2bo8G1 PHE 129 H 0.17 0.21 0.14 -0.55 8.34 8.32 2bo8G1 PHE 129 HA -0.42 0.28 0.92 -0.75 4.62 4.65 2bo8G1 PHE 129 HB2 0.07 0.01 -0.03 -0.04 3.15 3.16 2bo8G1 PHE 129 HB3 -0.06 -0.01 0.09 -0.04 3.06 3.04 2bo8G1 PHE 129 HD2 -0.11 0.07 -0.10 -0.04 7.28 7.09 2bo8G1 PHE 129 HE2 -0.61 -0.00 -0.13 -0.04 7.38 6.59 2bo8G1 PHE 129 HZ 0.16 -0.01 -0.10 -0.04 7.32 7.33 2bo8G1 PRO 130 HA 0.30 0.10 0.51 -0.51 4.44 4.84 2bo8G1 PRO 130 HB2 0.08 -0.01 -0.04 -0.04 2.28 2.27 2bo8G1 PRO 130 HB3 0.20 0.08 0.10 -0.04 2.02 2.36 2bo8G1 PRO 130 HG2 0.04 -0.09 0.03 -0.04 2.03 1.97 2bo8G1 PRO 130 HG3 -0.01 0.26 0.09 -0.04 2.03 2.33 2bo8G1 PRO 130 HD2 0.02 -0.03 0.28 -0.04 3.68 3.92 2bo8G1 PRO 130 HD3 -0.37 0.20 0.17 -0.04 3.65 3.61 2bo8G1 ARG 131 H 0.32 0.23 0.16 -0.55 8.46 8.62 2bo8G1 ARG 131 HA 0.21 0.13 0.91 -0.75 4.34 4.84 2bo8G1 ARG 131 HB2 0.33 0.01 -0.07 -0.04 1.90 2.13 2bo8G1 ARG 131 HB3 0.28 0.03 -0.02 -0.04 1.80 2.05 2bo8G1 ARG 131 HG2 0.35 0.11 -0.24 -0.04 1.67 1.85 2bo8G1 ARG 131 HG3 0.37 -0.00 -0.11 -0.04 1.67 1.89 2bo8G1 ARG 131 HD2 0.25 0.10 -0.03 -0.04 3.22 3.50 2bo8G1 ARG 131 HD3 0.33 0.03 -0.27 -0.04 3.22 3.27 2bo8G1 ALA 132 H 0.18 0.08 0.16 -0.55 8.40 8.27 2bo8G1 ALA 132 HA 0.22 0.18 0.82 -0.75 4.34 4.81 2bo8G1 ALA 132 HB3 0.11 0.07 0.18 -0.04 1.41 1.74 2bo8G1 SER 133 H 0.24 0.24 0.24 -0.55 8.46 8.63 2bo8G1 SER 133 HA 0.08 0.14 0.22 -0.75 4.49 4.18 2bo8G1 SER 133 HB2 -0.01 0.04 0.11 -0.04 3.95 4.05 2bo8G1 SER 133 HB3 0.11 0.00 0.19 -0.04 3.93 4.19 2bo8G1 THR 134 H 0.12 0.05 -0.24 -0.55 8.28 7.67 2bo8G1 THR 134 HA 0.26 0.31 0.99 -0.75 4.39 5.20 2bo8G1 THR 134 HB 0.30 -0.02 0.15 -0.04 4.32 4.71 2bo8G1 THR 134 HG23 0.01 0.02 -0.03 -0.04 1.22 1.17 2bo8G1 ASP 135 H 0.19 0.66 -0.23 -0.55 8.40 8.47 2bo8G1 ASP 135 HA 0.24 0.04 0.69 -0.75 4.63 4.85 2bo8G1 ASP 135 HB2 0.24 0.23 0.09 -0.04 2.71 3.22 2bo8G1 ASP 135 HB3 0.25 -0.06 0.10 -0.04 2.70 2.95 2bo8G1 ALA 136 H 0.25 0.11 0.16 -0.55 8.40 8.37 2bo8G1 ALA 136 HA 0.19 -0.08 0.38 -0.75 4.34 4.07 2bo8G1 ALA 136 HB3 0.31 0.09 -0.09 -0.04 1.41 1.68 2bo8G1 MET 137 H 0.20 0.09 -0.14 -0.55 8.47 8.08 2bo8G1 MET 137 HA 0.18 0.23 0.48 -0.75 4.52 4.65 2bo8G1 MET 137 HB2 0.20 -0.06 0.00 -0.04 2.15 2.25 2bo8G1 MET 137 HB3 -0.02 0.02 0.00 -0.04 2.03 1.99 2bo8G1 MET 137 HG2 0.09 0.09 -0.35 -0.04 2.63 2.41 2bo8G1 MET 137 HG3 -0.12 -0.02 -0.05 -0.04 2.56 2.32 2bo8G1 MET 137 HE3 -0.21 0.05 -0.15 -0.04 2.10 1.75 2bo8G1 ILE 138 H 0.20 0.02 -0.11 -0.55 8.25 7.81 2bo8G1 ILE 138 HA 0.04 0.18 0.57 -0.75 4.18 4.22 2bo8G1 ILE 138 HB -0.11 -0.04 0.02 -0.04 1.89 1.72 2bo8G1 ILE 138 HG12 -0.82 0.08 -0.05 -0.04 1.49 0.67 2bo8G1 ILE 138 HG13 -0.09 -0.10 0.00 -0.04 1.21 0.99 2bo8G1 ILE 138 HG23 -0.20 0.03 -0.16 -0.04 0.93 0.56 2bo8G1 ILE 138 HD13 -0.40 0.02 -0.08 -0.04 0.88 0.37 2bo8G1 THR 139 H 0.05 -0.01 -0.22 -0.55 8.28 7.55 2bo8G1 THR 139 HA -0.11 0.01 0.29 -0.75 4.39 3.83 2bo8G1 THR 139 HB -0.04 0.20 0.17 -0.04 4.32 4.60 2bo8G1 THR 139 HG23 -0.45 0.04 -0.07 -0.04 1.22 0.70 2bo8G1 TRP 140 H 0.20 0.51 -0.14 -0.55 7.97 8.00 2bo8G1 TRP 140 HA -0.03 0.12 0.44 -0.75 4.62 4.39 2bo8G1 TRP 140 HB2 -0.10 0.02 0.16 -0.04 3.23 3.27 2bo8G1 TRP 140 HB3 -0.13 0.01 -0.01 -0.04 3.23 3.06 2bo8G1 TRP 140 HD1 -0.02 0.25 0.09 -0.04 7.22 7.50 2bo8G1 TRP 140 HE1 0.00 -0.04 -0.02 -0.04 10.20 10.10 2bo8G1 TRP 140 HE3 -0.15 -0.03 0.02 -0.04 7.59 7.39 2bo8G1 TRP 140 HZ2 -0.25 -0.02 -0.02 -0.04 7.44 7.11 2bo8G1 TRP 140 HZ3 -0.37 0.11 -0.12 -0.04 7.13 6.71 2bo8G1 TRP 140 HH2 -1.35 0.01 -0.07 -0.04 7.19 5.74 2bo8G1 MET 141 H 0.29 0.44 -0.09 -0.55 8.47 8.56 2bo8G1 MET 141 HA 0.33 0.10 0.23 -0.75 4.52 4.42 2bo8G1 MET 141 HB2 0.43 0.06 0.04 -0.04 2.15 2.64 2bo8G1 MET 141 HB3 -0.12 -0.02 0.08 -0.04 2.03 1.93 2bo8G1 MET 141 HG2 0.00 0.01 0.10 -0.04 2.63 2.70 2bo8G1 MET 141 HG3 -0.34 -0.06 -0.03 -0.04 2.56 2.09 2bo8G1 MET 141 HE3 -0.47 0.00 -0.06 -0.04 2.10 1.53 2bo8G1 ILE 142 H 0.20 0.37 -0.33 -0.55 8.25 7.94 2bo8G1 ILE 142 HA 0.58 0.29 1.11 -0.75 4.18 5.41 2bo8G1 ILE 142 HB 0.02 -0.07 0.08 -0.04 1.89 1.88 2bo8G1 ILE 142 HG12 0.33 0.04 0.02 -0.04 1.49 1.84 2bo8G1 ILE 142 HG13 0.56 0.12 -0.40 -0.04 1.21 1.45 2bo8G1 ILE 142 HG23 0.09 -0.00 -0.29 -0.04 0.93 0.69 2bo8G1 ILE 142 HD13 -0.33 -0.03 -0.08 -0.04 0.88 0.40 2bo8G1 THR 143 H -0.03 0.40 0.07 -0.55 8.28 8.17 2bo8G1 THR 143 HA -0.32 0.09 0.39 -0.75 4.39 3.80 2bo8G1 THR 143 HB -0.20 0.09 0.17 -0.04 4.32 4.34 2bo8G1 THR 143 HG23 -0.47 0.01 -0.17 -0.04 1.22 0.55 2bo8G1 ARG 144 H -0.16 0.74 0.21 -0.55 8.46 8.70 2bo8G1 ARG 144 HA -0.04 0.08 0.25 -0.75 4.34 3.88 2bo8G1 ARG 144 HB2 -0.22 0.04 0.20 -0.04 1.90 1.87 2bo8G1 ARG 144 HB3 -0.20 0.08 0.09 -0.04 1.80 1.73 2bo8G1 ARG 144 HG2 -0.19 0.03 -0.02 -0.04 1.67 1.45 2bo8G1 ARG 144 HG3 -0.40 -0.03 0.00 -0.04 1.67 1.19 2bo8G1 ARG 144 HD2 -0.69 0.11 -0.01 -0.04 3.22 2.59 2bo8G1 ARG 144 HD3 -1.71 -0.15 -0.04 -0.04 3.22 1.28 2bo8G1 THR 145 H 0.04 0.17 -0.40 -0.55 8.28 7.54 2bo8G1 THR 145 HA 0.14 0.03 0.35 -0.75 4.39 4.15 2bo8G1 THR 145 HB 0.14 -0.02 -0.33 -0.04 4.32 4.07 2bo8G1 THR 145 HG23 -0.48 -0.00 -0.20 -0.04 1.22 0.50 2bo8G1 GLY 146 H -0.22 0.48 -0.28 -0.55 8.43 7.87 2bo8G1 GLY 146 HA2 -0.58 0.00 0.40 -0.51 4.01 3.33 2bo8G1 GLY 146 HA3 -0.13 0.08 0.29 -0.51 4.01 3.74 2bo8G1 PHE 147 H -0.08 0.62 -0.15 -0.55 8.34 8.18 2bo8G1 PHE 147 HA 0.55 -0.01 0.28 -0.75 4.62 4.68 2bo8G1 PHE 147 HB2 0.06 0.14 -0.02 -0.04 3.15 3.29 2bo8G1 PHE 147 HB3 0.16 -0.15 -0.26 -0.04 3.06 2.78 2bo8G1 PHE 147 HD2 0.26 0.07 -0.18 -0.04 7.28 7.40 2bo8G1 PHE 147 HE2 0.07 -0.03 -0.10 -0.04 7.38 7.28 2bo8G1 PHE 147 HZ 0.08 0.02 -0.07 -0.04 7.32 7.30 2bo8G1 ALA 148 H 0.10 0.56 -0.30 -0.55 8.40 8.21 2bo8G1 ALA 148 HA 0.09 0.03 0.42 -0.75 4.34 4.12 2bo8G1 ALA 148 HB3 0.07 -0.01 0.09 -0.04 1.41 1.52 2bo8G1 LEU 149 H -0.14 0.57 -0.07 -0.55 8.37 8.18 2bo8G1 LEU 149 HA -0.09 0.07 0.33 -0.75 4.35 3.91 2bo8G1 LEU 149 HB2 -0.43 0.05 0.09 -0.04 1.64 1.30 2bo8G1 LEU 149 HB3 -0.29 -0.03 0.02 -0.04 1.64 1.30 2bo8G1 LEU 149 HG -0.48 0.03 0.01 -0.04 1.64 1.15 2bo8G1 LEU 149 HD13 -0.90 -0.04 -0.05 -0.04 0.93 -0.10 2bo8G1 LEU 149 HD23 -0.26 0.00 0.01 -0.04 0.89 0.60 2bo8G1 LEU 150 H -0.16 0.48 -0.14 -0.55 8.37 8.00 2bo8G1 LEU 150 HA -0.48 0.21 0.95 -0.75 4.35 4.27 2bo8G1 LEU 150 HB2 -1.17 -0.03 -0.03 -0.04 1.64 0.37 2bo8G1 LEU 150 HB3 -2.02 0.05 0.02 -0.04 1.64 -0.35 2bo8G1 LEU 150 HG -0.34 -0.06 -0.12 -0.04 1.64 1.07 2bo8G1 LEU 150 HD13 -0.28 -0.04 -0.11 -0.04 0.93 0.46 2bo8G1 LEU 150 HD23 -0.33 0.04 -0.01 -0.04 0.89 0.55 2bo8G1 TRP 151 H 0.18 0.47 -0.13 -0.55 7.97 7.94 2bo8G1 TRP 151 HA 0.09 0.21 0.80 -0.75 4.62 4.97 2bo8G1 TRP 151 HB2 0.07 -0.04 0.12 -0.04 3.23 3.33 2bo8G1 TRP 151 HB3 0.06 -0.14 0.11 -0.04 3.23 3.21 2bo8G1 TRP 151 HD1 0.10 -0.09 0.01 -0.04 7.22 7.19 2bo8G1 TRP 151 HE1 0.15 0.40 -0.18 -0.04 10.20 10.53 2bo8G1 TRP 151 HE3 0.30 -0.03 -0.08 -0.04 7.59 7.74 2bo8G1 TRP 151 HZ2 0.01 0.17 -0.07 -0.04 7.44 7.51 2bo8G1 TRP 151 HZ3 0.28 -0.09 -0.20 -0.04 7.13 7.08 2bo8G1 TRP 151 HH2 -0.15 -0.02 -0.31 -0.04 7.19 6.67 2bo8G1 PRO 152 HA 0.08 0.05 0.35 -0.51 4.44 4.41 2bo8G1 PRO 152 HB2 -0.24 -0.03 -0.03 -0.04 2.28 1.94 2bo8G1 PRO 152 HB3 -0.03 0.12 0.22 -0.04 2.02 2.29 2bo8G1 PRO 152 HG2 0.05 -0.05 -0.01 -0.04 2.03 1.97 2bo8G1 PRO 152 HG3 -0.02 0.07 -0.12 -0.04 2.03 1.92 2bo8G1 PRO 152 HD2 0.04 0.20 -0.24 -0.04 3.68 3.64 2bo8G1 PRO 152 HD3 -0.02 0.24 -0.34 -0.04 3.65 3.49 2bo8G1 HIS 153 H 0.24 0.13 -0.33 -0.55 8.41 7.92 2bo8G1 HIS 153 HA 0.15 0.13 0.56 -0.75 4.63 4.72 2bo8G1 HIS 153 HB2 0.11 0.02 0.02 -0.04 3.26 3.38 2bo8G1 HIS 153 HB3 0.08 -0.05 0.17 -0.04 3.20 3.36 2bo8G1 HIS 153 HD2 0.07 0.06 -0.01 -0.04 6.97 7.04 2bo8G1 HIS 153 HE1 0.05 -0.03 -0.01 -0.04 7.75 7.71 2bo8G1 THR 154 H 0.24 0.58 -0.36 -0.55 8.28 8.19 2bo8G1 THR 154 HA 0.11 0.25 1.12 -0.75 4.39 5.11 2bo8G1 THR 154 HB -0.05 -0.12 0.09 -0.04 4.32 4.21 2bo8G1 THR 154 HG23 0.14 0.01 -0.13 -0.04 1.22 1.20 2bo8G1 GLU 155 H -0.00 0.15 0.11 -0.55 8.60 8.32 2bo8G1 GLU 155 HA 0.20 0.13 0.49 -0.75 4.29 4.35 2bo8G1 GLU 155 HB2 -0.06 0.01 0.14 -0.04 2.09 2.15 2bo8G1 GLU 155 HB3 -0.16 0.02 -0.08 -0.04 1.99 1.73 2bo8G1 GLU 155 HG2 -0.02 0.06 -0.07 -0.04 2.34 2.27 2bo8G1 GLU 155 HG3 -0.12 -0.07 -0.05 -0.04 2.34 2.06 2bo8G1 LEU 156 H -0.09 0.11 -0.29 -0.55 8.37 7.55 2bo8G1 LEU 156 HA -0.33 0.02 0.22 -0.75 4.35 3.51 2bo8G1 LEU 156 HB2 -0.13 0.13 0.01 -0.04 1.64 1.61 2bo8G1 LEU 156 HB3 -1.06 -0.01 -0.09 -0.04 1.64 0.44 2bo8G1 LEU 156 HG -0.50 -0.07 -0.00 -0.04 1.64 1.02 2bo8G1 LEU 156 HD13 -0.76 0.02 -0.06 -0.04 0.93 0.09 2bo8G1 LEU 156 HD23 -0.93 0.01 -0.03 -0.04 0.89 -0.10 2bo8G1 SER 157 H 0.13 0.31 -0.33 -0.55 8.46 8.03 2bo8G1 SER 157 HA 0.21 0.05 0.14 -0.75 4.49 4.13 2bo8G1 SER 157 HB2 -0.01 0.01 0.03 -0.04 3.95 3.94 2bo8G1 SER 157 HB3 0.14 0.01 -0.43 -0.04 3.93 3.61 2bo8G1 TRP 158 H 0.30 0.31 -0.51 -0.55 7.97 7.53 2bo8G1 TRP 158 HA 0.09 0.08 0.51 -0.75 4.62 4.55 2bo8G1 TRP 158 HB2 0.07 0.15 0.02 -0.04 3.23 3.43 2bo8G1 TRP 158 HB3 0.15 -0.10 0.01 -0.04 3.23 3.25 2bo8G1 TRP 158 HD1 0.04 0.09 0.02 -0.04 7.22 7.33 2bo8G1 TRP 158 HE1 0.06 0.14 -0.05 -0.04 10.20 10.30 2bo8G1 TRP 158 HE3 0.07 -0.03 -0.01 -0.04 7.59 7.58 2bo8G1 TRP 158 HZ2 0.05 0.03 -0.04 -0.04 7.44 7.44 2bo8G1 TRP 158 HZ3 0.01 -0.06 -0.03 -0.04 7.13 7.02 2bo8G1 TRP 158 HH2 0.03 -0.04 -0.04 -0.04 7.19 7.10 2bo8G1 ILE 159 H 0.05 0.38 -0.26 -0.55 8.25 7.88 2bo8G1 ILE 159 HA 0.01 -0.04 0.44 -0.75 4.18 3.84 2bo8G1 ILE 159 HB -0.01 0.21 0.05 -0.04 1.89 2.10 2bo8G1 ILE 159 HG12 -0.13 -0.01 -0.08 -0.04 1.49 1.24 2bo8G1 ILE 159 HG13 -0.22 -0.05 -0.08 -0.04 1.21 0.81 2bo8G1 ILE 159 HG23 -0.01 -0.05 -0.34 -0.04 0.93 0.49 2bo8G1 ILE 159 HD13 -0.30 0.02 -0.14 -0.04 0.88 0.43 2bo8G1 GLU 160 H -0.07 0.07 0.09 -0.55 8.60 8.15 2bo8G1 GLU 160 HA -0.04 0.15 0.26 -0.75 4.29 3.90 2bo8G1 GLU 160 HB2 -0.37 -0.09 0.05 -0.04 2.09 1.64 2bo8G1 GLU 160 HB3 -0.01 -0.05 -0.08 -0.04 1.99 1.81 2bo8G1 GLU 160 HG2 -0.28 0.06 0.05 -0.04 2.34 2.13 2bo8G1 GLU 160 HG3 -0.94 -0.03 -0.04 -0.04 2.34 1.29 2bo8G1 GLN 161 H -0.03 0.08 -0.24 -0.55 8.47 7.74 2bo8G1 GLN 161 HA -0.05 0.25 0.91 -0.75 4.36 4.72 2bo8G1 GLN 161 HB2 0.13 0.08 0.13 -0.04 2.15 2.46 2bo8G1 GLN 161 HB3 0.13 -0.15 0.14 -0.04 2.02 2.10 2bo8G1 GLN 161 HG2 0.13 -0.03 0.01 -0.04 2.40 2.47 2bo8G1 GLN 161 HG3 0.14 0.14 -0.54 -0.04 2.39 2.09 2bo8G1 GLN 161 HE21 0.38 0.23 0.16 -0.04 6.97 7.70 2bo8G1 GLN 161 HE22 0.37 0.10 -0.04 -0.04 7.69 8.09 2bo8G1 PRO 162 HA 0.07 0.12 0.22 -0.51 4.44 4.34 2bo8G1 PRO 162 HB2 0.17 -0.01 -0.13 -0.04 2.28 2.28 2bo8G1 PRO 162 HB3 0.27 0.15 -0.02 -0.04 2.02 2.38 2bo8G1 PRO 162 HG2 -0.08 -0.15 -0.08 -0.04 2.03 1.67 2bo8G1 PRO 162 HG3 -0.02 0.16 -0.10 -0.04 2.03 2.03 2bo8G1 PRO 162 HD2 -0.16 0.10 -0.04 -0.04 3.68 3.55 2bo8G1 PRO 162 HD3 -0.06 0.50 -0.37 -0.04 3.65 3.68 2bo8G1 LEU 163 H 0.01 0.03 -0.52 -0.55 8.37 7.34 2bo8G1 LEU 163 HA 0.03 0.21 0.73 -0.75 4.35 4.57 2bo8G1 LEU 163 HB2 0.01 -0.05 -0.05 -0.04 1.64 1.50 2bo8G1 LEU 163 HB3 -0.01 -0.05 0.08 -0.04 1.64 1.62 2bo8G1 LEU 163 HG -0.06 0.02 -0.13 -0.04 1.64 1.44 2bo8G1 LEU 163 HD13 -0.08 -0.03 -0.13 -0.04 0.93 0.65 2bo8G1 LEU 163 HD23 -0.05 0.05 -0.22 -0.04 0.89 0.63 2bo8G1 GLY 164 H 0.08 0.66 -0.18 -0.55 8.43 8.45 2bo8G1 GLY 164 HA2 0.17 -0.13 0.30 -0.51 4.01 3.84 2bo8G1 GLY 164 HA3 0.17 0.20 0.36 -0.51 4.01 4.23 2bo8G1 GLY 165 H 0.17 0.05 0.19 -0.55 8.43 8.29 2bo8G1 GLY 165 HA2 0.10 0.17 0.58 -0.51 4.01 4.35 2bo8G1 GLY 165 HA3 0.15 -0.11 0.33 -0.51 4.01 3.87 2bo8G1 GLU 166 H 0.28 0.07 -0.26 -0.55 8.60 8.13 2bo8G1 GLU 166 HA 0.11 0.51 1.00 -0.75 4.29 5.16 2bo8G1 GLU 166 HB2 0.51 -0.00 0.18 -0.04 2.09 2.74 2bo8G1 GLU 166 HB3 0.47 0.06 0.09 -0.04 1.99 2.56 2bo8G1 GLU 166 HG2 0.98 0.01 0.00 -0.04 2.34 3.29 2bo8G1 GLU 166 HG3 0.68 0.02 0.07 -0.04 2.34 3.06 2bo8G1 LEU 167 H 0.00 0.56 0.43 -0.55 8.37 8.81 2bo8G1 LEU 167 HA 0.12 0.12 0.70 -0.75 4.35 4.53 2bo8G1 LEU 167 HB2 0.03 0.05 0.00 -0.04 1.64 1.68 2bo8G1 LEU 167 HB3 0.07 0.04 0.10 -0.04 1.64 1.82 2bo8G1 LEU 167 HG 0.10 -0.06 -0.51 -0.04 1.64 1.12 2bo8G1 LEU 167 HD13 0.10 -0.04 -0.19 -0.04 0.93 0.76 2bo8G1 LEU 167 HD23 0.07 0.00 -0.18 -0.04 0.89 0.74 2bo8G1 LEU 168 H -0.05 0.76 0.41 -0.55 8.37 8.94 2bo8G1 LEU 168 HA -0.22 0.33 1.10 -0.75 4.35 4.80 2bo8G1 LEU 168 HB2 -0.35 -0.07 -0.02 -0.04 1.64 1.16 2bo8G1 LEU 168 HB3 -0.14 -0.08 0.15 -0.04 1.64 1.54 2bo8G1 LEU 168 HG -0.49 0.11 -0.19 -0.04 1.64 1.03 2bo8G1 LEU 168 HD13 -0.34 0.00 -0.26 -0.04 0.93 0.29 2bo8G1 LEU 168 HD23 -0.07 -0.01 -0.49 -0.04 0.89 0.28 2bo8G1 MET 169 H -0.11 0.57 0.31 -0.55 8.47 8.69 2bo8G1 MET 169 HA -0.02 0.28 1.08 -0.75 4.52 5.11 2bo8G1 MET 169 HB2 -0.02 -0.03 -0.05 -0.04 2.15 2.00 2bo8G1 MET 169 HB3 -0.01 0.03 0.12 -0.04 2.03 2.13 2bo8G1 MET 169 HG2 -0.07 0.01 -0.14 -0.04 2.63 2.40 2bo8G1 MET 169 HG3 -0.01 -0.03 -0.10 -0.04 2.56 2.39 2bo8G1 MET 169 HE3 -0.61 -0.01 -0.13 -0.04 2.10 1.31 2bo8G1 ARG 170 H 0.04 0.50 0.29 -0.55 8.46 8.74 2bo8G1 ARG 170 HA 0.11 0.23 1.15 -0.75 4.34 5.07 2bo8G1 ARG 170 HB2 0.08 -0.03 0.22 -0.04 1.90 2.13 2bo8G1 ARG 170 HB3 0.07 0.08 0.14 -0.04 1.80 2.05 2bo8G1 ARG 170 HG2 0.05 0.14 0.33 -0.04 1.67 2.14 2bo8G1 ARG 170 HG3 0.05 -0.18 0.05 -0.04 1.67 1.55 2bo8G1 ARG 170 HD2 0.06 0.25 0.14 -0.04 3.22 3.63 2bo8G1 ARG 170 HD3 0.04 -0.08 0.09 -0.04 3.22 3.23 2bo8G1 ARG 171 H 0.20 0.75 0.33 -0.55 8.46 9.19 2bo8G1 ARG 171 HA 0.40 0.03 0.22 -0.75 4.34 4.23 2bo8G1 ARG 171 HB2 0.10 0.20 0.15 -0.04 1.90 2.30 2bo8G1 ARG 171 HB3 0.06 -0.11 0.24 -0.04 1.80 1.95 2bo8G1 ARG 171 HG2 -0.04 -0.07 -0.15 -0.04 1.67 1.37 2bo8G1 ARG 171 HG3 -0.15 -0.03 -0.08 -0.04 1.67 1.36 2bo8G1 ARG 171 HD2 -0.07 -0.03 0.01 -0.04 3.22 3.08 2bo8G1 ARG 171 HD3 -0.14 -0.03 -0.03 -0.04 3.22 2.99 2bo8G1 GLU 172 H 0.05 0.14 -0.02 -0.55 8.60 8.23 2bo8G1 GLU 172 HA 0.02 0.05 0.31 -0.75 4.29 3.91 2bo8G1 GLU 172 HB2 0.01 0.04 0.04 -0.04 2.09 2.14 2bo8G1 GLU 172 HB3 0.01 0.02 0.11 -0.04 1.99 2.09 2bo8G1 GLU 172 HG2 0.03 -0.02 -0.06 -0.04 2.34 2.24 2bo8G1 GLU 172 HG3 0.01 0.05 -0.02 -0.04 2.34 2.34 2bo8G1 VAL 173 H 0.05 0.12 -0.16 -0.55 8.24 7.69 2bo8G1 VAL 173 HA 0.02 0.05 0.64 -0.75 4.13 4.09 2bo8G1 VAL 173 HB 0.03 0.16 0.21 -0.04 2.12 2.49 2bo8G1 VAL 173 HG13 -0.02 -0.02 -0.07 -0.04 0.97 0.82 2bo8G1 VAL 173 HG23 0.02 0.01 0.08 -0.04 0.95 1.01 2bo8G1 ALA 174 H 0.12 0.69 -0.04 -0.55 8.40 8.62 2bo8G1 ALA 174 HA 0.06 -0.06 0.20 -0.75 4.34 3.78 2bo8G1 ALA 174 HB3 0.28 0.02 -0.01 -0.04 1.41 1.65 2bo8G1 ALA 175 H 0.09 0.64 -0.09 -0.55 8.40 8.49 2bo8G1 ALA 175 HA 0.05 0.02 0.46 -0.75 4.34 4.12 2bo8G1 ALA 175 HB3 0.01 0.03 0.01 -0.04 1.41 1.42 2bo8G1 MET 176 H 0.06 0.41 -0.67 -0.55 8.47 7.72 2bo8G1 MET 176 HA 0.04 0.03 0.09 -0.75 4.52 3.93 2bo8G1 MET 176 HB2 0.02 0.12 0.16 -0.04 2.15 2.41 2bo8G1 MET 176 HB3 0.03 0.04 0.13 -0.04 2.03 2.18 2bo8G1 MET 176 HG2 0.02 -0.03 0.03 -0.04 2.63 2.61 2bo8G1 MET 176 HG3 0.01 0.01 -0.00 -0.04 2.56 2.54 2bo8G1 MET 176 HE3 -0.00 0.01 -0.15 -0.04 2.10 1.92 2bo8G1 LEU 177 H 0.07 0.38 -0.09 -0.55 8.37 8.18 2bo8G1 LEU 177 HA 0.09 0.02 0.48 -0.75 4.35 4.18 2bo8G1 LEU 177 HB2 0.06 0.04 0.09 -0.04 1.64 1.80 2bo8G1 LEU 177 HB3 0.17 -0.08 -0.05 -0.04 1.64 1.63 2bo8G1 LEU 177 HG 0.02 0.10 0.02 -0.04 1.64 1.74 2bo8G1 LEU 177 HD13 -0.27 -0.00 -0.06 -0.04 0.93 0.55 2bo8G1 LEU 177 HD23 0.13 -0.02 -0.05 -0.04 0.89 0.90 2bo8G1 TYR 178 H 0.22 0.42 -0.06 -0.55 8.29 8.32 2bo8G1 TYR 178 HA 0.10 -0.06 0.19 -0.75 4.56 4.03 2bo8G1 TYR 178 HB2 0.10 0.01 0.05 -0.04 3.06 3.18 2bo8G1 TYR 178 HB3 0.06 0.12 -0.07 -0.04 2.98 3.05 2bo8G1 TYR 178 HD2 0.08 -0.02 -0.19 -0.04 7.15 6.99 2bo8G1 TYR 178 HE2 0.07 -0.01 0.02 -0.04 6.85 6.88 2bo8G1 GLU 179 H 0.16 -0.07 -1.64 -0.55 8.60 6.51 2bo8G1 GLU 179 HA 0.18 0.12 0.74 -0.75 4.29 4.58 2bo8G1 GLU 179 HB2 0.12 0.15 -0.12 -0.04 2.09 2.20 2bo8G1 GLU 179 HB3 0.08 0.04 -0.09 -0.04 1.99 1.97 2bo8G1 GLU 179 HG2 0.05 -0.05 -0.02 -0.04 2.34 2.28 2bo8G1 GLU 179 HG3 0.08 -0.06 0.08 -0.04 2.34 2.41 2bo8G1 ASP 180 H 0.08 0.26 0.21 -0.55 8.40 8.41 2bo8G1 ASP 180 HA 0.05 0.04 0.86 -0.75 4.63 4.82 2bo8G1 ASP 180 HB2 0.06 0.18 0.23 -0.04 2.71 3.15 2bo8G1 ASP 180 HB3 0.07 -0.10 0.21 -0.04 2.70 2.83 2bo8G1 GLU 181 H 0.03 0.20 0.13 -0.55 8.60 8.42 2bo8G1 GLU 181 HA 0.00 0.15 0.47 -0.75 4.29 4.16 2bo8G1 GLU 181 HB2 0.01 0.02 0.07 -0.04 2.09 2.14 2bo8G1 GLU 181 HB3 0.02 0.11 0.09 -0.04 1.99 2.17 2bo8G1 GLU 181 HG2 0.02 0.05 0.03 -0.04 2.34 2.40 2bo8G1 GLU 181 HG3 0.01 -0.07 -0.10 -0.04 2.34 2.14 2bo8G1 ARG 182 H 0.02 0.11 -0.11 -0.55 8.46 7.93 2bo8G1 ARG 182 HA -0.00 0.09 0.41 -0.75 4.34 4.09 2bo8G1 ARG 182 HB2 0.04 -0.04 0.03 -0.04 1.90 1.88 2bo8G1 ARG 182 HB3 0.01 0.04 -0.12 -0.04 1.80 1.69 2bo8G1 ARG 182 HG2 -0.00 0.09 -0.01 -0.04 1.67 1.71 2bo8G1 ARG 182 HG3 0.01 -0.01 0.02 -0.04 1.67 1.64 2bo8G1 ARG 182 HD2 0.03 0.03 0.03 -0.04 3.22 3.27 2bo8G1 ARG 182 HD3 0.04 -0.09 0.05 -0.04 3.22 3.18 2bo8G1 VAL 183 H 0.04 0.17 -0.36 -0.55 8.24 7.54 2bo8G1 VAL 183 HA -0.01 0.04 0.38 -0.75 4.13 3.79 2bo8G1 VAL 183 HB 0.11 -0.07 -0.11 -0.04 2.12 2.01 2bo8G1 VAL 183 HG13 0.10 0.05 -0.01 -0.04 0.97 1.06 2bo8G1 VAL 183 HG23 0.18 0.02 -0.38 -0.04 0.95 0.73 2bo8G1 ARG 184 H -0.01 0.45 -0.28 -0.55 8.46 8.07 2bo8G1 ARG 184 HA -0.12 0.01 0.18 -0.75 4.34 3.66 2bo8G1 ARG 184 HB2 -0.09 0.23 -0.02 -0.04 1.90 1.98 2bo8G1 ARG 184 HB3 -0.04 0.00 0.06 -0.04 1.80 1.78 2bo8G1 ARG 184 HG2 -0.07 -0.00 -0.05 -0.04 1.67 1.51 2bo8G1 ARG 184 HG3 -0.09 0.06 -0.27 -0.04 1.67 1.33 2bo8G1 ARG 184 HD2 -0.23 -0.03 -0.07 -0.04 3.22 2.85 2bo8G1 ARG 184 HD3 -0.31 -0.13 -0.07 -0.04 3.22 2.67 2bo8G1 ARG 185 H -0.03 0.54 -0.37 -0.55 8.46 8.04 2bo8G1 ARG 185 HA -0.04 0.04 0.27 -0.75 4.34 3.86 2bo8G1 ARG 185 HB2 -0.03 -0.18 0.13 -0.04 1.90 1.78 2bo8G1 ARG 185 HB3 -0.02 0.12 0.06 -0.04 1.80 1.92 2bo8G1 ARG 185 HG2 -0.02 0.30 0.09 -0.04 1.67 1.99 2bo8G1 ARG 185 HG3 -0.03 -0.04 -0.16 -0.04 1.67 1.40 2bo8G1 ARG 185 HD2 -0.02 -0.12 -0.05 -0.04 3.22 2.99 2bo8G1 ARG 185 HD3 -0.01 0.03 -0.04 -0.04 3.22 3.15 2bo8G1 ARG 186 H -0.05 0.42 -0.71 -0.55 8.46 7.56 2bo8G1 ARG 186 HA -0.05 -0.04 0.53 -0.75 4.34 4.02 2bo8G1 ARG 186 HB2 -0.06 0.26 0.07 -0.04 1.90 2.13 2bo8G1 ARG 186 HB3 -0.11 -0.02 0.12 -0.04 1.80 1.74 2bo8G1 ARG 186 HG2 -0.07 0.01 -0.18 -0.04 1.67 1.39 2bo8G1 ARG 186 HG3 -0.06 -0.25 -0.11 -0.04 1.67 1.21 2bo8G1 ARG 186 HD2 -0.05 0.01 -0.12 -0.04 3.22 3.02 2bo8G1 ARG 186 HD3 -0.05 0.14 -0.06 -0.04 3.22 3.20 2bo8G1 SER 187 H -0.06 0.43 0.14 -0.55 8.46 8.42 2bo8G1 SER 187 HA -0.09 0.07 0.14 -0.75 4.49 3.86 2bo8G1 SER 187 HB2 -0.07 -0.09 0.04 -0.04 3.95 3.79 2bo8G1 SER 187 HB3 -0.06 -0.02 0.00 -0.04 3.93 3.81 2bo8G1 ASP 188 H -0.07 0.04 -0.14 -0.55 8.40 7.68 2bo8G1 ASP 188 HA -0.23 0.08 0.65 -0.75 4.63 4.38 2bo8G1 ASP 188 HB2 -0.09 -0.06 0.18 -0.04 2.71 2.71 2bo8G1 ASP 188 HB3 -0.07 0.07 0.14 -0.04 2.70 2.80 2bo8G1 TRP 189 H 0.05 0.21 0.12 -0.55 7.97 7.80 2bo8G1 TRP 189 HA -0.06 0.05 0.17 -0.75 4.62 4.03 2bo8G1 TRP 189 HB2 -0.06 0.02 0.07 -0.04 3.23 3.23 2bo8G1 TRP 189 HB3 -0.06 0.09 0.06 -0.04 3.23 3.28 2bo8G1 TRP 189 HD1 -0.05 0.04 -0.23 -0.04 7.22 6.94 2bo8G1 TRP 189 HE1 -0.04 0.01 -0.03 -0.04 10.20 10.10 2bo8G1 TRP 189 HE3 -0.04 0.03 0.07 -0.04 7.59 7.62 2bo8G1 TRP 189 HZ2 -0.01 0.03 0.02 -0.04 7.44 7.44 2bo8G1 TRP 189 HZ3 0.00 0.05 0.02 -0.04 7.13 7.16 2bo8G1 TRP 189 HH2 0.01 0.01 0.02 -0.04 7.19 7.20 2bo8G1 GLY 190 H 0.04 -0.06 -0.71 -0.55 8.43 7.16 2bo8G1 GLY 190 HA2 0.02 0.10 0.11 -0.51 4.01 3.73 2bo8G1 GLY 190 HA3 -0.02 0.09 0.19 -0.51 4.01 3.76 2bo8G1 ILE 191 H -0.04 0.19 -0.63 -0.55 8.25 7.21 2bo8G1 ILE 191 HA -0.25 0.13 -0.07 -0.75 4.18 3.24 2bo8G1 ILE 191 HB -0.23 0.15 0.07 -0.04 1.89 1.84 2bo8G1 ILE 191 HG12 -0.53 -0.01 -0.08 -0.04 1.49 0.83 2bo8G1 ILE 191 HG13 -1.42 -0.03 -0.30 -0.04 1.21 -0.59 2bo8G1 ILE 191 HG23 -0.16 0.01 -0.07 -0.04 0.93 0.67 2bo8G1 ILE 191 HD13 -0.51 0.02 -0.03 -0.04 0.88 0.32 2bo8G1 ASP 192 H -0.08 0.16 -0.01 -0.55 8.40 7.91 2bo8G1 ASP 192 HA -0.13 0.07 0.21 -0.75 4.63 4.03 2bo8G1 ASP 192 HB2 0.02 -0.03 -0.01 -0.04 2.71 2.64 2bo8G1 ASP 192 HB3 0.04 0.14 -0.17 -0.04 2.70 2.67 2bo8G1 THR 193 H -0.04 0.06 -0.63 -0.55 8.28 7.12 2bo8G1 THR 193 HA 0.09 0.14 0.36 -0.75 4.39 4.23 2bo8G1 THR 193 HB -0.02 0.20 0.12 -0.04 4.32 4.58 2bo8G1 THR 193 HG23 0.01 0.00 -0.14 -0.04 1.22 1.06 2bo8G1 LEU 194 H -0.05 0.37 -0.01 -0.55 8.37 8.14 2bo8G1 LEU 194 HA 0.10 0.04 0.38 -0.75 4.35 4.11 2bo8G1 LEU 194 HB2 -0.11 0.06 0.11 -0.04 1.64 1.66 2bo8G1 LEU 194 HB3 0.02 -0.06 -0.09 -0.04 1.64 1.47 2bo8G1 LEU 194 HG -0.05 0.04 -0.10 -0.04 1.64 1.49 2bo8G1 LEU 194 HD13 -0.00 -0.02 -0.17 -0.04 0.93 0.70 2bo8G1 LEU 194 HD23 -0.06 0.02 -0.09 -0.04 0.89 0.73 2bo8G1 TYR 195 H -0.17 0.72 -0.00 -0.55 8.29 8.29 2bo8G1 TYR 195 HA 0.01 -0.05 0.35 -0.75 4.56 4.12 2bo8G1 TYR 195 HB2 -0.02 0.10 0.01 -0.04 3.06 3.11 2bo8G1 TYR 195 HB3 -0.02 -0.01 -0.10 -0.04 2.98 2.81 2bo8G1 TYR 195 HD2 -0.08 -0.01 -0.12 -0.04 7.15 6.91 2bo8G1 TYR 195 HE2 -0.27 -0.01 -0.15 -0.04 6.85 6.37 2bo8G1 THR 196 H 0.14 0.62 -0.35 -0.55 8.28 8.15 2bo8G1 THR 196 HA 0.04 -0.02 0.24 -0.75 4.39 3.89 2bo8G1 THR 196 HB 0.18 0.14 0.19 -0.04 4.32 4.79 2bo8G1 THR 196 HG23 0.00 -0.04 -0.13 -0.04 1.22 1.01 2bo8G1 PHE 197 H 0.20 0.43 -0.23 -0.55 8.34 8.18 2bo8G1 PHE 197 HA -0.31 0.02 0.21 -0.75 4.62 3.78 2bo8G1 PHE 197 HB2 -0.02 0.03 0.00 -0.04 3.15 3.13 2bo8G1 PHE 197 HB3 -0.07 -0.05 0.13 -0.04 3.06 3.03 2bo8G1 PHE 197 HD2 -0.37 -0.04 -0.13 -0.04 7.28 6.70 2bo8G1 PHE 197 HE2 -1.36 0.01 -0.10 -0.04 7.38 5.90 2bo8G1 PHE 197 HZ -0.60 0.05 -0.18 -0.04 7.32 6.54 2bo8G1 VAL 198 H 0.14 0.54 0.04 -0.55 8.24 8.42 2bo8G1 VAL 198 HA -0.20 0.07 0.26 -0.75 4.13 3.50 2bo8G1 VAL 198 HB 0.06 0.01 0.05 -0.04 2.12 2.20 2bo8G1 VAL 198 HG13 0.20 0.04 0.01 -0.04 0.97 1.19 2bo8G1 VAL 198 HG23 0.04 -0.01 -0.12 -0.04 0.95 0.83 2bo8G1 THR 199 H -0.02 0.44 -0.15 -0.55 8.28 8.00 2bo8G1 THR 199 HA -0.05 -0.02 0.40 -0.75 4.39 3.97 2bo8G1 THR 199 HB -0.04 -0.06 -0.03 -0.04 4.32 4.14 2bo8G1 THR 199 HG23 -0.02 -0.01 0.02 -0.04 1.22 1.17 2bo8G1 VAL 200 H -0.22 0.49 -0.25 -0.55 8.24 7.70 2bo8G1 VAL 200 HA -0.18 0.07 0.41 -0.75 4.13 3.68 2bo8G1 VAL 200 HB -0.49 0.16 0.13 -0.04 2.12 1.88 2bo8G1 VAL 200 HG13 -0.28 -0.05 -0.10 -0.04 0.97 0.49 2bo8G1 VAL 200 HG23 -0.25 0.05 0.01 -0.04 0.95 0.72 2bo8G1 GLN 201 H -0.49 0.57 -0.03 -0.55 8.47 7.97 2bo8G1 GLN 201 HA -0.38 -0.04 0.38 -0.75 4.36 3.56 2bo8G1 GLN 201 HB2 -1.02 0.02 0.04 -0.04 2.15 1.14 2bo8G1 GLN 201 HB3 -0.34 0.01 0.09 -0.04 2.02 1.73 2bo8G1 GLN 201 HG2 -0.15 -0.01 -0.02 -0.04 2.40 2.18 2bo8G1 GLN 201 HG3 -0.27 -0.01 0.13 -0.04 2.39 2.19 2bo8G1 GLN 201 HE21 0.19 -0.15 0.04 -0.04 6.97 7.01 2bo8G1 GLN 201 HE22 0.03 0.61 0.13 -0.04 7.69 8.42 2bo8G1 GLN 202 H -0.16 0.53 -0.29 -0.55 8.47 8.00 2bo8G1 GLN 202 HA -0.07 0.06 0.53 -0.75 4.36 4.13 2bo8G1 GLN 202 HB2 -0.06 0.03 0.11 -0.04 2.15 2.19 2bo8G1 GLN 202 HB3 -0.04 -0.07 0.15 -0.04 2.02 2.02 2bo8G1 GLN 202 HG2 -0.06 0.07 -0.01 -0.04 2.40 2.36 2bo8G1 GLN 202 HG3 -0.02 -0.11 -0.07 -0.04 2.39 2.15 2bo8G1 GLN 202 HE21 -0.01 -0.03 0.01 -0.04 6.97 6.90 2bo8G1 GLN 202 HE22 -0.01 -0.01 0.03 -0.04 7.69 7.66 2bo8G1 GLY 203 H -0.12 0.37 -0.59 -0.55 8.43 7.55 2bo8G1 GLY 203 HA2 -0.07 0.05 0.39 -0.51 4.01 3.87 2bo8G1 GLY 203 HA3 -0.05 0.07 0.52 -0.51 4.01 4.04 2bo8G1 VAL 204 H -0.06 0.37 -0.20 -0.55 8.24 7.80 2bo8G1 VAL 204 HA -0.00 0.00 0.56 -0.75 4.13 3.93 2bo8G1 VAL 204 HB -0.03 0.00 -0.02 -0.04 2.12 2.03 2bo8G1 VAL 204 HG13 0.02 -0.02 -0.28 -0.04 0.97 0.65 2bo8G1 VAL 204 HG23 -0.02 -0.00 0.05 -0.04 0.95 0.94 2bo8G1 SER 205 H 0.03 0.08 0.26 -0.55 8.46 8.28 2bo8G1 SER 205 HA 0.09 0.30 0.85 -0.75 4.49 4.97 2bo8G1 SER 205 HB2 0.10 -0.01 0.06 -0.04 3.95 4.07 2bo8G1 SER 205 HB3 0.03 0.06 0.18 -0.04 3.93 4.16 2bo8G1 ILE 206 H 0.19 0.81 0.35 -0.55 8.25 9.05 2bo8G1 ILE 206 HA 0.13 0.26 1.06 -0.75 4.18 4.88 2bo8G1 ILE 206 HB 0.08 -0.01 0.12 -0.04 1.89 2.04 2bo8G1 ILE 206 HG12 0.00 -0.06 -0.24 -0.04 1.49 1.15 2bo8G1 ILE 206 HG13 0.02 0.18 -0.44 -0.04 1.21 0.93 2bo8G1 ILE 206 HG23 0.01 -0.03 -0.24 -0.04 0.93 0.63 2bo8G1 ILE 206 HD13 -0.11 -0.02 -0.15 -0.04 0.88 0.56 2bo8G1 TYR 207 H -0.01 0.68 0.41 -0.55 8.29 8.82 2bo8G1 TYR 207 HA -0.38 0.31 1.09 -0.75 4.56 4.83 2bo8G1 TYR 207 HB2 -2.42 -0.00 -0.01 -0.04 3.06 0.59 2bo8G1 TYR 207 HB3 -0.58 -0.04 0.12 -0.04 2.98 2.43 2bo8G1 TYR 207 HD2 -0.42 -0.03 -0.13 -0.04 7.15 6.52 2bo8G1 TYR 207 HE2 -0.14 -0.05 -0.15 -0.04 6.85 6.46 2bo8G1 GLU 208 H -0.64 0.68 0.41 -0.55 8.60 8.51 2bo8G1 GLU 208 HA -0.20 0.29 1.14 -0.75 4.29 4.77 2bo8G1 GLU 208 HB2 -0.36 -0.04 0.17 -0.04 2.09 1.83 2bo8G1 GLU 208 HB3 -0.30 0.00 -0.01 -0.04 1.99 1.63 2bo8G1 GLU 208 HG2 -0.08 0.04 -0.07 -0.04 2.34 2.18 2bo8G1 GLU 208 HG3 0.00 0.04 -0.20 -0.04 2.34 2.15 2bo8G1 CYS 209 H -0.08 0.81 0.34 -0.55 8.50 9.01 2bo8G1 CYS 209 HA -0.01 0.05 0.42 -0.75 4.58 4.28 2bo8G1 CYS 209 HB2 -0.14 0.06 -0.12 -0.04 2.97 2.73 2bo8G1 CYS 209 HB3 -0.17 -0.12 0.05 -0.04 2.97 2.69 2bo8G1 TYR 210 H 0.09 0.15 0.13 -0.55 8.29 8.11 2bo8G1 TYR 210 HA -0.66 0.26 0.76 -0.75 4.56 4.17 2bo8G1 TYR 210 HB2 -0.22 0.11 -0.18 -0.04 3.06 2.72 2bo8G1 TYR 210 HB3 -0.09 -0.02 0.04 -0.04 2.98 2.86 2bo8G1 TYR 210 HD2 -0.86 0.02 -0.17 -0.04 7.15 6.09 2bo8G1 TYR 210 HE2 -0.27 -0.01 -0.15 -0.04 6.85 6.38 2bo8G1 ILE 211 H -0.88 0.66 0.31 -0.55 8.25 7.79 2bo8G1 ILE 211 HA -0.49 0.23 1.01 -0.75 4.18 4.17 2bo8G1 ILE 211 HB -0.87 0.04 0.07 -0.04 1.89 1.09 2bo8G1 ILE 211 HG12 -1.77 -0.05 -0.07 -0.04 1.49 -0.45 2bo8G1 ILE 211 HG13 -0.65 0.03 -0.06 -0.04 1.21 0.49 2bo8G1 ILE 211 HG23 -0.71 -0.06 -0.16 -0.04 0.93 -0.04 2bo8G1 ILE 211 HD13 -0.17 -0.00 -0.30 -0.04 0.88 0.37 2bo8G1 PRO 212 HA -0.61 0.10 0.20 -0.51 4.44 3.62 2bo8G1 PRO 212 HB2 -0.18 0.03 -0.02 -0.04 2.28 2.06 2bo8G1 PRO 212 HB3 -0.47 0.04 0.06 -0.04 2.02 1.61 2bo8G1 PRO 212 HG2 -0.14 -0.02 0.11 -0.04 2.03 1.94 2bo8G1 PRO 212 HG3 -0.22 0.08 0.09 -0.04 2.03 1.94 2bo8G1 PRO 212 HD2 -0.25 0.02 0.20 -0.04 3.68 3.61 2bo8G1 PRO 212 HD3 -0.28 0.44 0.28 -0.04 3.65 4.05 2bo8G1 GLU 213 H -0.11 0.12 -0.06 -0.55 8.60 8.00 2bo8G1 GLU 213 HA 0.04 0.05 0.38 -0.75 4.29 4.00 2bo8G1 GLU 213 HB2 0.12 -0.02 0.13 -0.04 2.09 2.28 2bo8G1 GLU 213 HB3 0.06 -0.04 0.09 -0.04 1.99 2.06 2bo8G1 GLU 213 HG2 0.24 0.21 -0.20 -0.04 2.34 2.55 2bo8G1 GLU 213 HG3 0.24 0.05 0.00 -0.04 2.34 2.59 2bo8G1 GLY 214 H -0.06 0.20 -0.65 -0.55 8.43 7.38 2bo8G1 GLY 214 HA2 0.12 0.07 0.30 -0.51 4.01 3.99 2bo8G1 GLY 214 HA3 0.06 0.09 0.36 -0.51 4.01 4.01 2bo8G1 LYS 215 H -0.15 0.24 0.04 -0.55 8.42 7.99 2bo8G1 LYS 215 HA 0.05 0.10 0.69 -0.75 4.32 4.41 2bo8G1 LYS 215 HB2 -2.37 0.03 -0.06 -0.04 1.87 -0.56 2bo8G1 LYS 215 HB3 -0.56 0.03 0.14 -0.04 1.79 1.36 2bo8G1 LYS 215 HG2 0.04 -0.03 -0.25 -0.04 1.46 1.18 2bo8G1 LYS 215 HG3 -0.06 -0.01 -0.11 -0.04 1.46 1.24 2bo8G1 LYS 215 HD2 -0.19 0.02 -0.04 -0.04 1.69 1.44 2bo8G1 LYS 215 HD3 -0.19 0.02 -0.02 -0.04 1.68 1.46 2bo8G1 LYS 215 HE2 -0.61 -0.00 -0.08 -0.04 2.99 2.26 2bo8G1 LYS 215 HE3 -0.04 -0.02 -0.07 -0.04 2.99 2.81 2bo8G1 ALA 216 H 0.12 0.19 -0.02 -0.55 8.40 8.15 2bo8G1 ALA 216 HA 0.03 0.16 0.70 -0.75 4.34 4.47 2bo8G1 ALA 216 HB3 0.05 0.01 0.01 -0.04 1.41 1.45 2bo8G1 HIS 217 H -0.17 0.32 0.17 -0.55 8.41 8.18 2bo8G1 HIS 217 HA -0.00 0.34 0.73 -0.75 4.63 4.94 2bo8G1 HIS 217 HB2 0.02 -0.15 -0.02 -0.04 3.26 3.07 2bo8G1 HIS 217 HB3 0.01 -0.06 -0.40 -0.04 3.20 2.70 2bo8G1 HIS 217 HD2 -0.03 -0.08 -0.04 -0.04 6.97 6.77 2bo8G1 HIS 217 HE1 0.06 -0.04 0.01 -0.04 7.75 7.74 2bo8G1 ARG 218 H 0.14 0.06 0.13 -0.55 8.46 8.23 2bo8G1 ARG 218 HA -0.06 0.01 0.41 -0.75 4.34 3.94 2bo8G1 ARG 218 HB2 0.09 -0.05 0.20 -0.04 1.90 2.10 2bo8G1 ARG 218 HB3 0.06 -0.01 0.09 -0.04 1.80 1.90 2bo8G1 ARG 218 HG2 0.03 0.07 0.03 -0.04 1.67 1.76 2bo8G1 ARG 218 HG3 0.02 -0.00 0.12 -0.04 1.67 1.77 2bo8G1 ARG 218 HD2 0.06 0.01 0.07 -0.04 3.22 3.32 2bo8G1 ARG 218 HD3 0.06 -0.02 0.09 -0.04 3.22 3.30 2bo8G1 LEU 219 H -0.14 0.06 0.20 -0.55 8.37 7.95 2bo8G1 LEU 219 HA -0.54 0.19 0.80 -0.75 4.35 4.04 2bo8G1 LEU 219 HB2 -0.09 -0.04 0.05 -0.04 1.64 1.52 2bo8G1 LEU 219 HB3 -0.11 0.03 0.12 -0.04 1.64 1.64 2bo8G1 LEU 219 HG -0.16 0.01 0.02 -0.04 1.64 1.46 2bo8G1 LEU 219 HD13 -0.06 -0.00 0.00 -0.04 0.93 0.83 2bo8G1 LEU 219 HD23 -0.21 0.02 -0.02 -0.04 0.89 0.64 2bo8G1 TYR 220 H -0.08 0.22 0.17 -0.55 8.29 8.05 2bo8G1 TYR 220 HA 0.05 0.11 0.78 -0.75 4.56 4.75 2bo8G1 TYR 220 HB2 0.10 0.20 0.05 -0.04 3.06 3.37 2bo8G1 TYR 220 HB3 0.09 -0.06 -0.06 -0.04 2.98 2.90 2bo8G1 TYR 220 HD2 0.07 0.09 -0.02 -0.04 7.15 7.26 2bo8G1 TYR 220 HE2 0.08 -0.05 0.01 -0.04 6.85 6.85 2bo8G1 GLY 221 H 0.19 0.09 0.10 -0.55 8.43 8.26 2bo8G1 GLY 221 HA2 0.11 0.16 0.64 -0.51 4.01 4.41 2bo8G1 GLY 221 HA3 0.11 -0.03 0.42 -0.51 4.01 4.00 2bo8G1 GLY 222 H 0.11 0.13 0.15 -0.55 8.43 8.27 2bo8G1 GLY 222 HA2 0.15 0.14 0.73 -0.51 4.01 4.52 2bo8G1 GLY 222 HA3 0.12 0.07 0.31 -0.51 4.01 3.99 2bo8G1 LEU 223 H 0.04 0.22 0.09 -0.55 8.37 8.17 2bo8G1 LEU 223 HA 0.05 0.10 0.43 -0.75 4.35 4.18 2bo8G1 LEU 223 HB2 -0.09 0.00 0.12 -0.04 1.64 1.63 2bo8G1 LEU 223 HB3 0.21 0.07 -0.10 -0.04 1.64 1.78 2bo8G1 LEU 223 HG -0.44 -0.01 0.01 -0.04 1.64 1.16 2bo8G1 LEU 223 HD13 -0.68 0.01 -0.02 -0.04 0.93 0.19 2bo8G1 LEU 223 HD23 -0.80 0.02 0.01 -0.04 0.89 0.08 2bo8G1 ASP 224 H 0.19 0.07 -0.53 -0.55 8.40 7.59 2bo8G1 ASP 224 HA -0.09 0.14 0.33 -0.75 4.63 4.26 2bo8G1 ASP 224 HB2 -0.39 0.04 0.12 -0.04 2.71 2.44 2bo8G1 ASP 224 HB3 0.12 0.08 0.01 -0.04 2.70 2.87 2bo8G1 ASP 225 H 0.06 0.43 -0.30 -0.55 8.40 8.05 2bo8G1 ASP 225 HA -0.01 0.20 0.97 -0.75 4.63 5.04 2bo8G1 ASP 225 HB2 0.09 0.02 0.22 -0.04 2.71 3.00 2bo8G1 ASP 225 HB3 0.05 0.03 0.12 -0.04 2.70 2.87 2bo8G1 LEU 226 H 0.01 0.43 -0.26 -0.55 8.37 8.00 2bo8G1 LEU 226 HA -0.21 0.15 0.79 -0.75 4.35 4.32 2bo8G1 LEU 226 HB2 0.04 0.36 0.16 -0.04 1.64 2.16 2bo8G1 LEU 226 HB3 -0.21 -0.09 0.14 -0.04 1.64 1.45 2bo8G1 LEU 226 HG -0.61 0.01 -0.14 -0.04 1.64 0.86 2bo8G1 LEU 226 HD13 -0.32 -0.01 0.02 -0.04 0.93 0.58 2bo8G1 LEU 226 HD23 -0.52 0.01 0.06 -0.04 0.89 0.40 2bo8G1 ARG 227 H -0.13 0.30 -0.31 -0.55 8.46 7.77 2bo8G1 ARG 227 HA -0.12 0.11 0.12 -0.75 4.34 3.69 2bo8G1 ARG 227 HB2 -0.59 0.04 0.15 -0.04 1.90 1.46 2bo8G1 ARG 227 HB3 -0.25 0.03 0.11 -0.04 1.80 1.65 2bo8G1 ARG 227 HG2 -0.20 -0.04 -0.17 -0.04 1.67 1.22 2bo8G1 ARG 227 HG3 -0.54 0.03 0.00 -0.04 1.67 1.11 2bo8G1 ARG 227 HD2 -0.84 0.01 0.03 -0.04 3.22 2.38 2bo8G1 ARG 227 HD3 -0.32 -0.01 -0.02 -0.04 3.22 2.84 2bo8G1 THR 228 H -0.05 0.16 -0.06 -0.55 8.28 7.79 2bo8G1 THR 228 HA 0.03 0.13 0.54 -0.75 4.39 4.34 2bo8G1 THR 228 HB 0.20 -0.01 0.06 -0.04 4.32 4.52 2bo8G1 THR 228 HG23 0.22 0.00 -0.06 -0.04 1.22 1.33 2bo8G1 MET 229 H -0.17 0.11 -0.36 -0.55 8.47 7.50 2bo8G1 MET 229 HA -0.24 -0.04 0.28 -0.75 4.52 3.77 2bo8G1 MET 229 HB2 -1.16 -0.03 0.06 -0.04 2.15 0.98 2bo8G1 MET 229 HB3 -0.53 0.16 0.07 -0.04 2.03 1.70 2bo8G1 MET 229 HG2 -0.48 0.02 -0.14 -0.04 2.63 2.00 2bo8G1 MET 229 HG3 -1.12 -0.05 0.04 -0.04 2.56 1.39 2bo8G1 MET 229 HE3 -1.57 -0.00 0.03 -0.04 2.10 0.51 2bo8G1 LEU 230 H -0.28 0.58 -0.14 -0.55 8.37 7.98 2bo8G1 LEU 230 HA -0.43 -0.00 0.31 -0.75 4.35 3.48 2bo8G1 LEU 230 HB2 -0.80 -0.02 0.01 -0.04 1.64 0.79 2bo8G1 LEU 230 HB3 -0.26 0.07 0.10 -0.04 1.64 1.52 2bo8G1 LEU 230 HG -0.30 0.03 -0.44 -0.04 1.64 0.89 2bo8G1 LEU 230 HD13 -1.26 -0.01 -0.08 -0.04 0.93 -0.46 2bo8G1 LEU 230 HD23 -0.03 0.02 -0.18 -0.04 0.89 0.66 2bo8G1 VAL 231 H -0.07 0.52 -0.09 -0.55 8.24 8.05 2bo8G1 VAL 231 HA -0.06 0.07 0.27 -0.75 4.13 3.65 2bo8G1 VAL 231 HB 0.28 -0.03 0.05 -0.04 2.12 2.38 2bo8G1 VAL 231 HG13 0.09 0.07 0.08 -0.04 0.97 1.16 2bo8G1 VAL 231 HG23 0.09 0.01 0.11 -0.04 0.95 1.12 2bo8G1 GLU 232 H 0.06 0.64 -0.08 -0.55 8.60 8.67 2bo8G1 GLU 232 HA 0.07 0.02 0.33 -0.75 4.29 3.95 2bo8G1 GLU 232 HB2 0.21 0.07 0.11 -0.04 2.09 2.43 2bo8G1 GLU 232 HB3 0.11 -0.19 0.04 -0.04 1.99 1.92 2bo8G1 GLU 232 HG2 0.08 0.02 0.05 -0.04 2.34 2.45 2bo8G1 GLU 232 HG3 0.12 0.17 0.12 -0.04 2.34 2.71 2bo8G1 CYS 233 H -0.05 0.81 -0.16 -0.55 8.50 8.55 2bo8G1 CYS 233 HA -0.04 -0.04 0.22 -0.75 4.58 3.96 2bo8G1 CYS 233 HB2 -0.14 0.06 0.01 -0.04 2.97 2.86 2bo8G1 CYS 233 HB3 -0.10 -0.03 -0.04 -0.04 2.97 2.75 2bo8G1 PHE 234 H -0.02 0.62 -0.22 -0.55 8.34 8.17 2bo8G1 PHE 234 HA -0.19 0.08 0.61 -0.75 4.62 4.37 2bo8G1 PHE 234 HB2 -0.33 -0.04 0.04 -0.04 3.15 2.78 2bo8G1 PHE 234 HB3 -0.47 0.05 0.10 -0.04 3.06 2.70 2bo8G1 PHE 234 HD2 -0.73 -0.02 -0.12 -0.04 7.28 6.37 2bo8G1 PHE 234 HE2 -0.91 0.09 -0.09 -0.04 7.38 6.43 2bo8G1 PHE 234 HZ -0.44 0.06 -0.29 -0.04 7.32 6.61 2bo8G1 ALA 235 H -0.02 0.60 0.02 -0.55 8.40 8.45 2bo8G1 ALA 235 HA -0.09 0.08 0.29 -0.75 4.34 3.86 2bo8G1 ALA 235 HB3 0.10 -0.02 0.07 -0.04 1.41 1.52 2bo8G1 ALA 236 H -0.12 0.32 -0.55 -0.55 8.40 7.50 2bo8G1 ALA 236 HA -0.10 -0.00 0.29 -0.75 4.34 3.77 2bo8G1 ALA 236 HB3 -0.08 0.01 0.08 -0.04 1.41 1.37 2bo8G1 ILE 237 H -0.22 0.36 -0.05 -0.55 8.25 7.79 2bo8G1 ILE 237 HA -0.07 0.02 0.40 -0.75 4.18 3.77 2bo8G1 ILE 237 HB -0.30 0.05 0.16 -0.04 1.89 1.76 2bo8G1 ILE 237 HG12 -0.15 0.02 0.02 -0.04 1.49 1.33 2bo8G1 ILE 237 HG13 -0.02 -0.01 -0.01 -0.04 1.21 1.14 2bo8G1 ILE 237 HG23 -0.03 0.01 -0.15 -0.04 0.93 0.72 2bo8G1 ILE 237 HD13 -0.27 -0.04 -0.00 -0.04 0.88 0.53 2bo8G1 GLN 238 H -0.62 0.55 -0.21 -0.55 8.47 7.65 2bo8G1 GLN 238 HA -0.32 0.04 0.33 -0.75 4.36 3.66 2bo8G1 GLN 238 HB2 -0.75 -0.02 0.06 -0.04 2.15 1.39 2bo8G1 GLN 238 HB3 -0.25 0.02 0.12 -0.04 2.02 1.88 2bo8G1 GLN 238 HG2 -0.12 -0.04 -0.08 -0.04 2.40 2.12 2bo8G1 GLN 238 HG3 -0.16 0.11 0.15 -0.04 2.39 2.45 2bo8G1 GLN 238 HE21 0.15 0.28 0.08 -0.04 6.97 7.43 2bo8G1 GLN 238 HE22 0.04 0.30 0.09 -0.04 7.69 8.08 2bo8G1 SER 239 H -0.17 0.60 -0.15 -0.55 8.46 8.19 2bo8G1 SER 239 HA -0.07 -0.00 0.33 -0.75 4.49 4.00 2bo8G1 SER 239 HB2 -0.05 -0.11 0.11 -0.04 3.95 3.85 2bo8G1 SER 239 HB3 -0.07 0.02 0.14 -0.04 3.93 3.98 2bo8G1 LEU 240 H -0.13 0.53 -0.52 -0.55 8.37 7.70 2bo8G1 LEU 240 HA -0.13 0.07 0.80 -0.75 4.35 4.33 2bo8G1 LEU 240 HB2 -0.17 0.17 0.06 -0.04 1.64 1.66 2bo8G1 LEU 240 HB3 -0.74 -0.07 0.10 -0.04 1.64 0.88 2bo8G1 LEU 240 HG -0.24 -0.00 -0.16 -0.04 1.64 1.19 2bo8G1 LEU 240 HD13 -0.49 -0.03 -0.18 -0.04 0.93 0.19 2bo8G1 LEU 240 HD23 -0.69 -0.02 -0.05 -0.04 0.89 0.08 2bo8G1 GLN 241 H -0.12 0.58 -0.20 -0.55 8.47 8.19 2bo8G1 GLN 241 HA -0.05 0.05 0.09 -0.75 4.36 3.70 2bo8G1 GLN 241 HB2 -0.30 -0.04 0.11 -0.04 2.15 1.88 2bo8G1 GLN 241 HB3 -0.22 0.01 0.15 -0.04 2.02 1.92 2bo8G1 GLN 241 HG2 -0.43 0.08 0.07 -0.04 2.40 2.08 2bo8G1 GLN 241 HG3 -1.05 -0.04 -0.23 -0.04 2.39 1.03 2bo8G1 GLN 241 HE21 -0.13 0.36 0.08 -0.04 6.97 7.23 2bo8G1 GLN 241 HE22 -0.17 0.04 0.06 -0.04 7.69 7.59 2bo8G1 HIS 242 H 0.01 0.05 -0.38 -0.55 8.41 7.55 2bo8G1 HIS 242 HA 0.05 0.23 0.86 -0.75 4.63 5.02 2bo8G1 HIS 242 HB2 0.03 -0.04 -0.01 -0.04 3.26 3.21 2bo8G1 HIS 242 HB3 0.04 -0.04 0.11 -0.04 3.20 3.27 2bo8G1 HIS 242 HD2 -0.02 -0.01 -0.03 -0.04 6.97 6.86 2bo8G1 HIS 242 HE1 -0.04 -0.01 -0.04 -0.04 7.75 7.62 2bo8G1 GLU 243 H 0.29 0.41 -0.09 -0.55 8.60 8.67 2bo8G1 GLU 243 HA 0.22 -0.05 0.45 -0.75 4.29 4.15 2bo8G1 GLU 243 HB2 0.36 0.13 0.06 -0.04 2.09 2.60 2bo8G1 GLU 243 HB3 0.34 -0.02 0.02 -0.04 1.99 2.29 2bo8G1 GLU 243 HG2 0.06 -0.06 0.08 -0.04 2.34 2.38 2bo8G1 GLU 243 HG3 -0.23 -0.06 0.08 -0.04 2.34 2.09 2bo8G1 VAL 244 H 0.20 0.10 0.20 -0.55 8.24 8.20 2bo8G1 VAL 244 HA 0.35 0.22 0.82 -0.75 4.13 4.76 2bo8G1 VAL 244 HB 0.12 -0.07 0.10 -0.04 2.12 2.23 2bo8G1 VAL 244 HG13 0.09 -0.02 -0.21 -0.04 0.97 0.79 2bo8G1 VAL 244 HG23 0.14 0.04 -0.05 -0.04 0.95 1.04 2bo8G1 VAL 245 H 0.23 0.29 0.11 -0.55 8.24 8.32 2bo8G1 VAL 245 HA -0.05 0.17 0.88 -0.75 4.13 4.37 2bo8G1 VAL 245 HB -0.02 0.00 0.03 -0.04 2.12 2.10 2bo8G1 VAL 245 HG13 -0.23 -0.02 -0.07 -0.04 0.97 0.62 2bo8G1 VAL 245 HG23 -0.50 0.02 -0.27 -0.04 0.95 0.16 2bo8G1 GLY 246 H -0.03 0.20 -0.05 -0.55 8.43 8.01 2bo8G1 GLY 246 HA2 0.01 0.08 0.31 -0.51 4.01 3.89 2bo8G1 GLY 246 HA3 0.01 0.03 0.47 -0.51 4.01 4.01 2bo8G1 GLN 247 H -0.05 0.20 0.01 -0.55 8.47 8.08 2bo8G1 GLN 247 HA -0.02 0.02 -0.16 -0.75 4.36 3.44 2bo8G1 GLN 247 HB2 -0.02 -0.05 0.06 -0.04 2.15 2.10 2bo8G1 GLN 247 HB3 -0.02 0.17 0.62 -0.04 2.02 2.75 2bo8G1 GLN 247 HG2 -0.03 0.28 -0.03 -0.04 2.40 2.57 2bo8G1 GLN 247 HG3 -0.02 -0.07 0.05 -0.04 2.39 2.31 2bo8G1 GLN 247 HE21 -0.04 0.00 -0.07 -0.04 6.97 6.82 2bo8G1 GLN 247 HE22 -0.03 -0.06 -0.01 -0.04 7.69 7.56 2bo8G1 PRO 248 HA -0.02 0.04 0.44 -0.51 4.44 4.39 2bo8G1 PRO 248 HB2 -0.02 0.04 -0.14 -0.04 2.28 2.13 2bo8G1 PRO 248 HB3 -0.01 0.03 -0.03 -0.04 2.02 1.96 2bo8G1 PRO 248 HG2 -0.01 0.06 -0.06 -0.04 2.03 1.97 2bo8G1 PRO 248 HG3 -0.01 0.05 0.01 -0.04 2.03 2.05 2bo8G1 PRO 248 HD2 -0.01 0.10 0.03 -0.04 3.68 3.76 2bo8G1 PRO 248 HD3 -0.00 0.17 0.12 -0.04 3.65 3.90 2bo8G1 ALA 249 H -0.05 0.02 0.24 -0.55 8.40 8.05 2bo8G1 ALA 249 HA -0.02 0.22 0.39 -0.75 4.34 4.18 2bo8G1 ALA 249 HB3 -0.05 0.06 0.09 -0.04 1.41 1.46 2bo8G1 ILE 250 H 0.02 0.18 -0.02 -0.55 8.25 7.88 2bo8G1 ILE 250 HA 0.05 0.08 0.73 -0.75 4.18 4.29 2bo8G1 ILE 250 HB 0.06 -0.04 0.15 -0.04 1.89 2.02 2bo8G1 ILE 250 HG12 0.02 0.00 0.00 -0.04 1.49 1.47 2bo8G1 ILE 250 HG13 0.02 0.02 0.04 -0.04 1.21 1.25 2bo8G1 ILE 250 HG23 0.15 -0.01 -0.21 -0.04 0.93 0.83 2bo8G1 ILE 250 HD13 0.00 0.01 -0.03 -0.04 0.88 0.82 2bo8G1 HIS 251 H 0.10 0.19 0.09 -0.55 8.41 8.25 2bo8G1 HIS 251 HA 0.04 0.32 0.97 -0.75 4.63 5.21 2bo8G1 HIS 251 HB2 -0.03 0.05 -0.29 -0.04 3.26 2.96 2bo8G1 HIS 251 HB3 -0.06 -0.00 0.04 -0.04 3.20 3.13 2bo8G1 HIS 251 HD2 -0.07 0.06 -0.15 -0.04 6.97 6.76 2bo8G1 HIS 251 HE1 0.07 0.15 -0.37 -0.04 7.75 7.56 2bo8G1 ARG 252 H -0.02 0.68 0.37 -0.55 8.46 8.94 2bo8G1 ARG 252 HA -0.25 0.17 0.99 -0.75 4.34 4.50 2bo8G1 ARG 252 HB2 0.21 -0.02 0.03 -0.04 1.90 2.08 2bo8G1 ARG 252 HB3 0.05 0.01 0.00 -0.04 1.80 1.82 2bo8G1 ARG 252 HG2 0.03 0.17 -0.68 -0.04 1.67 1.14 2bo8G1 ARG 252 HG3 0.26 -0.02 -0.23 -0.04 1.67 1.64 2bo8G1 ARG 252 HD2 0.07 0.00 -0.04 -0.04 3.22 3.21 2bo8G1 ARG 252 HD3 0.06 0.01 -0.06 -0.04 3.22 3.19 2bo8G1 GLN 253 H -0.26 0.24 0.17 -0.55 8.47 8.06 2bo8G1 GLN 253 HA -0.48 0.08 1.09 -0.75 4.36 4.30 2bo8G1 GLN 253 HB2 -0.16 0.01 0.03 -0.04 2.15 1.99 2bo8G1 GLN 253 HB3 -0.28 0.04 0.00 -0.04 2.02 1.75 2bo8G1 GLN 253 HG2 -0.36 -0.03 -0.21 -0.04 2.40 1.76 2bo8G1 GLN 253 HG3 -0.43 -0.02 -0.10 -0.04 2.39 1.80 2bo8G1 GLN 253 HE21 0.09 0.18 0.04 -0.04 6.97 7.24 2bo8G1 GLN 253 HE22 0.08 -0.10 -0.05 -0.04 7.69 7.58 2bo8G1 GLU 254 H -0.46 0.77 0.32 -0.55 8.60 8.69 2bo8G1 GLU 254 HA 0.03 0.00 0.54 -0.75 4.29 4.11 2bo8G1 GLU 254 HB2 -0.04 0.06 0.26 -0.04 2.09 2.32 2bo8G1 GLU 254 HB3 0.11 -0.09 0.13 -0.04 1.99 2.10 2bo8G1 GLU 254 HG2 0.13 0.15 -0.03 -0.04 2.34 2.55 2bo8G1 GLU 254 HG3 0.15 0.00 0.11 -0.04 2.34 2.56 2bo8G1 HIS 255 H 0.11 0.05 0.16 -0.55 8.41 8.18 2bo8G1 HIS 255 HA -0.05 0.16 0.43 -0.75 4.63 4.42 2bo8G1 HIS 255 HB2 -0.05 0.02 0.11 -0.04 3.26 3.30 2bo8G1 HIS 255 HB3 -0.07 -0.08 0.15 -0.04 3.20 3.16 2bo8G1 HIS 255 HD2 -0.14 -0.09 -0.10 -0.04 6.97 6.59 2bo8G1 HIS 255 HE1 -0.05 -0.06 -0.01 -0.04 7.75 7.58 2bo8G1 PRO 256 HA -1.34 -0.01 0.31 -0.51 4.44 2.89 2bo8G1 PRO 256 HB2 -0.39 0.10 -0.09 -0.04 2.28 1.85 2bo8G1 PRO 256 HB3 -0.35 -0.00 0.00 -0.04 2.02 1.63 2bo8G1 PRO 256 HG2 -0.29 -0.02 0.02 -0.04 2.03 1.71 2bo8G1 PRO 256 HG3 -0.04 0.03 0.02 -0.04 2.03 2.00 2bo8G1 PRO 256 HD2 -0.33 0.03 0.18 -0.04 3.68 3.53 2bo8G1 PRO 256 HD3 -0.04 0.24 0.20 -0.04 3.65 4.00 2bo8G1 HIS 257 H -0.64 0.05 0.09 -0.55 8.41 7.36 2bo8G1 HIS 257 HA -0.18 0.12 0.62 -0.75 4.63 4.45 2bo8G1 HIS 257 HB2 0.11 0.06 -0.03 -0.04 3.26 3.37 2bo8G1 HIS 257 HB3 0.01 -0.06 0.13 -0.04 3.20 3.23 2bo8G1 HIS 257 HD2 0.05 -0.02 0.02 -0.04 6.97 6.97 2bo8G1 HIS 257 HE1 0.11 0.01 0.01 -0.04 7.75 7.83 2bo8G1 ARG 258 H 0.06 0.07 0.10 -0.55 8.46 8.14 2bo8G1 ARG 258 HA 0.04 0.03 0.44 -0.75 4.34 4.10 2bo8G1 ARG 258 HB2 0.05 -0.03 0.14 -0.04 1.90 2.01 2bo8G1 ARG 258 HB3 0.03 0.07 -0.10 -0.04 1.80 1.76 2bo8G1 ARG 258 HG2 0.04 0.02 0.06 -0.04 1.67 1.75 2bo8G1 ARG 258 HG3 0.03 -0.00 0.04 -0.04 1.67 1.70 2bo8G1 ARG 258 HD2 0.01 0.02 -0.01 -0.04 3.22 3.20 2bo8G1 ARG 258 HD3 0.02 -0.06 0.08 -0.04 3.22 3.22 2bo8G1 VAL 259 H 0.01 0.04 0.14 -0.55 8.24 7.87 2bo8G1 VAL 259 HA 0.03 0.12 0.29 -0.75 4.13 3.82 2bo8G1 VAL 259 HB -0.35 -0.06 -0.07 -0.04 2.12 1.60 2bo8G1 VAL 259 HG13 -0.19 0.02 -0.06 -0.04 0.97 0.70 2bo8G1 VAL 259 HG23 -0.35 -0.00 0.10 -0.04 0.95 0.66 2bo8G1 PRO 260 HA -0.05 0.11 0.55 -0.51 4.44 4.54 2bo8G1 PRO 260 HB2 -0.42 -0.15 -0.03 -0.04 2.28 1.63 2bo8G1 PRO 260 HB3 -0.05 0.04 0.11 -0.04 2.02 2.07 2bo8G1 PRO 260 HG2 -0.09 0.12 0.05 -0.04 2.03 2.08 2bo8G1 PRO 260 HG3 -0.02 0.10 0.06 -0.04 2.03 2.13 2bo8G1 PRO 260 HD2 -0.10 -0.01 0.14 -0.04 3.68 3.68 2bo8G1 PRO 260 HD3 0.01 0.24 0.21 -0.04 3.65 4.07 2bo8G1 VAL 261 H -0.04 0.18 0.17 -0.55 8.24 8.00 2bo8G1 VAL 261 HA -0.10 0.11 0.29 -0.75 4.13 3.68 2bo8G1 VAL 261 HB 0.01 -0.02 0.18 -0.04 2.12 2.25 2bo8G1 VAL 261 HG13 0.00 0.02 -0.11 -0.04 0.97 0.84 2bo8G1 VAL 261 HG23 -0.02 0.03 0.05 -0.04 0.95 0.97 2bo8G1 HIS 262 H 0.04 0.10 -0.05 -0.55 8.41 7.96 2bo8G1 HIS 262 HA -0.02 0.10 0.29 -0.75 4.63 4.25 2bo8G1 HIS 262 HB2 -0.01 0.05 0.05 -0.04 3.26 3.31 2bo8G1 HIS 262 HB3 -0.01 -0.02 0.08 -0.04 3.20 3.21 2bo8G1 HIS 262 HD2 -0.00 -0.05 -0.00 -0.04 6.97 6.88 2bo8G1 HIS 262 HE1 0.01 0.08 -0.10 -0.04 7.75 7.70 2bo8G1 ILE 263 H -0.50 0.14 -0.68 -0.55 8.25 6.66 2bo8G1 ILE 263 HA -0.07 0.13 0.59 -0.75 4.18 4.08 2bo8G1 ILE 263 HB -0.23 0.09 -0.07 -0.04 1.89 1.64 2bo8G1 ILE 263 HG12 -0.02 -0.02 -0.12 -0.04 1.49 1.29 2bo8G1 ILE 263 HG13 -0.52 -0.09 -0.25 -0.04 1.21 0.31 2bo8G1 ILE 263 HG23 0.01 0.01 -0.39 -0.04 0.93 0.51 2bo8G1 ILE 263 HD13 -0.11 0.04 -0.12 -0.04 0.88 0.65 2bo8G1 ALA 264 H -0.20 0.47 -0.04 -0.55 8.40 8.08 2bo8G1 ALA 264 HA -0.15 0.03 0.59 -0.75 4.34 4.05 2bo8G1 ALA 264 HB3 -0.35 -0.02 0.09 -0.04 1.41 1.09 2bo8G1 GLU 265 H -0.05 0.56 -0.27 -0.55 8.60 8.29 2bo8G1 GLU 265 HA -0.01 0.07 0.33 -0.75 4.29 3.93 2bo8G1 GLU 265 HB2 -0.00 0.07 0.04 -0.04 2.09 2.16 2bo8G1 GLU 265 HB3 -0.00 -0.05 0.17 -0.04 1.99 2.07 2bo8G1 GLU 265 HG2 -0.01 -0.02 -0.05 -0.04 2.34 2.22 2bo8G1 GLU 265 HG3 -0.03 0.01 -0.01 -0.04 2.34 2.27 2bo8G1 ARG 266 H 0.02 0.34 -0.43 -0.55 8.46 7.83 2bo8G1 ARG 266 HA 0.00 0.20 0.97 -0.75 4.34 4.76 2bo8G1 ARG 266 HB2 0.02 -0.01 -0.16 -0.04 1.90 1.71 2bo8G1 ARG 266 HB3 0.02 0.02 0.03 -0.04 1.80 1.83 2bo8G1 ARG 266 HG2 0.03 0.23 -0.17 -0.04 1.67 1.73 2bo8G1 ARG 266 HG3 0.03 0.10 -0.06 -0.04 1.67 1.69 2bo8G1 ARG 266 HD2 0.03 -0.03 -0.05 -0.04 3.22 3.13 2bo8G1 ARG 266 HD3 0.05 0.01 -0.01 -0.04 3.22 3.23 2bo8G1 VAL 267 H -0.02 0.17 0.14 -0.55 8.24 7.99 2bo8G1 VAL 267 HA -0.04 0.10 0.78 -0.75 4.13 4.21 2bo8G1 VAL 267 HB -0.08 0.02 0.17 -0.04 2.12 2.19 2bo8G1 VAL 267 HG13 -0.24 -0.06 0.07 -0.04 0.97 0.70 2bo8G1 VAL 267 HG23 -0.07 0.02 0.04 -0.04 0.95 0.89 2bo8G1 GLY 268 H 0.06 0.10 0.08 -0.55 8.43 8.12 2bo8G1 GLY 268 HA2 0.13 0.08 0.44 -0.51 4.01 4.15 2bo8G1 GLY 268 HA3 0.21 0.06 0.14 -0.51 4.01 3.90 2bo8G1 TYR 269 H -0.06 0.16 -0.31 -0.55 8.29 7.53 2bo8G1 TYR 269 HA 0.08 0.28 0.34 -0.75 4.56 4.51 2bo8G1 TYR 269 HB2 0.04 -0.07 0.08 -0.04 3.06 3.07 2bo8G1 TYR 269 HB3 0.06 0.18 -0.13 -0.04 2.98 3.05 2bo8G1 TYR 269 HD2 -0.02 0.04 -0.35 -0.04 7.15 6.78 2bo8G1 TYR 269 HE2 -0.12 0.03 -0.10 -0.04 6.85 6.62 2bo8G1 ASP 270 H 0.24 0.53 0.15 -0.55 8.40 8.77 2bo8G1 ASP 270 HA -0.03 0.13 0.67 -0.75 4.63 4.64 2bo8G1 ASP 270 HB2 0.06 0.13 -0.02 -0.04 2.71 2.84 2bo8G1 ASP 270 HB3 0.11 -0.05 -0.09 -0.04 2.70 2.63 2bo8G1 VAL 271 H -0.14 0.28 0.17 -0.55 8.24 8.00 2bo8G1 VAL 271 HA 0.09 0.08 0.31 -0.75 4.13 3.86 2bo8G1 VAL 271 HB -0.10 -0.00 0.16 -0.04 2.12 2.13 2bo8G1 VAL 271 HG13 -0.06 0.03 -0.11 -0.04 0.97 0.78 2bo8G1 VAL 271 HG23 -0.34 0.04 0.02 -0.04 0.95 0.63 2bo8G1 GLU 272 H -0.00 0.14 -0.00 -0.55 8.60 8.19 2bo8G1 GLU 272 HA 0.03 0.13 0.29 -0.75 4.29 3.99 2bo8G1 GLU 272 HB2 0.01 0.06 0.10 -0.04 2.09 2.22 2bo8G1 GLU 272 HB3 0.03 -0.05 0.06 -0.04 1.99 1.99 2bo8G1 GLU 272 HG2 0.05 -0.01 -0.31 -0.04 2.34 2.03 2bo8G1 GLU 272 HG3 0.02 0.05 0.04 -0.04 2.34 2.40 2bo8G1 ALA 273 H 0.08 0.07 -0.32 -0.55 8.40 7.68 2bo8G1 ALA 273 HA 0.15 0.12 0.42 -0.75 4.34 4.27 2bo8G1 ALA 273 HB3 0.10 0.02 0.08 -0.04 1.41 1.57 2bo8G1 THR 274 H 0.12 0.40 -0.16 -0.55 8.28 8.09 2bo8G1 THR 274 HA 0.08 -0.08 0.35 -0.75 4.39 3.98 2bo8G1 THR 274 HB 0.13 0.14 0.17 -0.04 4.32 4.72 2bo8G1 THR 274 HG23 -0.17 0.01 -0.05 -0.04 1.22 0.96 2bo8G1 LEU 275 H 0.07 0.53 -0.10 -0.55 8.37 8.32 2bo8G1 LEU 275 HA 0.07 0.04 0.37 -0.75 4.35 4.08 2bo8G1 LEU 275 HB2 0.07 0.09 0.12 -0.04 1.64 1.88 2bo8G1 LEU 275 HB3 0.10 0.03 0.01 -0.04 1.64 1.73 2bo8G1 LEU 275 HG 0.02 0.10 0.02 -0.04 1.64 1.73 2bo8G1 LEU 275 HD13 0.04 -0.02 -0.07 -0.04 0.93 0.84 2bo8G1 LEU 275 HD23 0.04 -0.00 -0.05 -0.04 0.89 0.83 2bo8G1 HIS 276 H 0.18 0.49 -0.12 -0.55 8.41 8.42 2bo8G1 HIS 276 HA 0.06 0.08 0.44 -0.75 4.63 4.46 2bo8G1 HIS 276 HB2 0.04 0.05 0.16 -0.04 3.26 3.48 2bo8G1 HIS 276 HB3 0.05 0.06 0.17 -0.04 3.20 3.44 2bo8G1 HIS 276 HD2 0.05 0.05 0.07 -0.04 6.97 7.09 2bo8G1 HIS 276 HE1 0.02 -0.02 -0.01 -0.04 7.75 7.69 2bo8G1 ARG 277 H 0.12 0.44 -0.23 -0.55 8.46 8.24 2bo8G1 ARG 277 HA -0.01 -0.01 0.23 -0.75 4.34 3.80 2bo8G1 ARG 277 HB2 0.08 -0.06 0.09 -0.04 1.90 1.97 2bo8G1 ARG 277 HB3 0.13 0.07 0.13 -0.04 1.80 2.09 2bo8G1 ARG 277 HG2 0.28 -0.19 -0.02 -0.04 1.67 1.69 2bo8G1 ARG 277 HG3 0.37 0.09 -0.12 -0.04 1.67 1.97 2bo8G1 ARG 277 HD2 0.11 0.05 0.08 -0.04 3.22 3.42 2bo8G1 ARG 277 HD3 0.08 -0.05 0.01 -0.04 3.22 3.22 2bo8G1 LEU 278 H 0.10 0.36 -0.37 -0.55 8.37 7.92 2bo8G1 LEU 278 HA 0.04 -0.03 0.41 -0.75 4.35 4.02 2bo8G1 LEU 278 HB2 0.05 -0.00 0.15 -0.04 1.64 1.80 2bo8G1 LEU 278 HB3 0.14 0.19 0.06 -0.04 1.64 1.99 2bo8G1 LEU 278 HG 0.19 0.06 0.08 -0.04 1.64 1.93 2bo8G1 LEU 278 HD13 -0.01 -0.02 0.08 -0.04 0.93 0.94 2bo8G1 LEU 278 HD23 0.13 -0.02 0.01 -0.04 0.89 0.96 2bo8G1 MET 279 H 0.18 0.45 -0.44 -0.55 8.47 8.11 2bo8G1 MET 279 HA 0.48 0.41 0.80 -0.75 4.52 5.46 2bo8G1 MET 279 HB2 0.22 -0.02 0.04 -0.04 2.15 2.34 2bo8G1 MET 279 HB3 0.18 0.00 0.08 -0.04 2.03 2.25 2bo8G1 MET 279 HG2 0.16 0.25 -0.32 -0.04 2.63 2.68 2bo8G1 MET 279 HG3 0.18 -0.05 -0.20 -0.04 2.56 2.45 2bo8G1 MET 279 HE3 0.06 -0.00 -0.11 -0.04 2.10 2.01 2bo8G1 GLN 280 H 0.09 0.44 -0.28 -0.55 8.47 8.17 2bo8G1 GLN 280 HA 0.06 0.17 0.87 -0.75 4.36 4.72 2bo8G1 GLN 280 HB2 -0.12 0.08 0.09 -0.04 2.15 2.16 2bo8G1 GLN 280 HB3 -0.52 -0.14 0.12 -0.04 2.02 1.44 2bo8G1 GLN 280 HG2 -0.10 -0.01 -0.05 -0.04 2.40 2.20 2bo8G1 GLN 280 HG3 -0.02 0.15 -0.17 -0.04 2.39 2.31 2bo8G1 GLN 280 HE21 -0.39 -0.07 -0.04 -0.04 6.97 6.42 2bo8G1 GLN 280 HE22 -0.19 0.03 -0.03 -0.04 7.69 7.46 2bo8G1 HIS 281 H -0.26 0.10 0.16 -0.55 8.41 7.87 2bo8G1 HIS 281 HA 0.03 0.02 0.36 -0.75 4.63 4.28 2bo8G1 HIS 281 HB2 -0.09 0.17 -0.13 -0.04 3.26 3.18 2bo8G1 HIS 281 HB3 -0.05 -0.05 0.17 -0.04 3.20 3.22 2bo8G1 HIS 281 HD2 -0.00 0.03 0.06 -0.04 6.97 7.02 2bo8G1 HIS 281 HE1 -0.03 -0.04 -0.01 -0.04 7.75 7.63 2bo8G1 TRP 282 H 0.29 0.06 -0.32 -0.55 7.97 7.45 2bo8G1 TRP 282 HA 0.04 0.12 0.63 -0.75 4.62 4.66 2bo8G1 TRP 282 HB2 0.01 0.01 -0.01 -0.04 3.23 3.20 2bo8G1 TRP 282 HB3 0.00 -0.08 -0.03 -0.04 3.23 3.09 2bo8G1 TRP 282 HD1 0.02 0.17 -0.35 -0.04 7.22 7.02 2bo8G1 TRP 282 HE1 0.03 0.33 -0.15 -0.04 10.20 10.37 2bo8G1 TRP 282 HE3 -0.01 -0.17 0.01 -0.04 7.59 7.37 2bo8G1 TRP 282 HZ2 0.01 0.11 -0.03 -0.04 7.44 7.49 2bo8G1 TRP 282 HZ3 -0.04 -0.05 -0.22 -0.04 7.13 6.77 2bo8G1 TRP 282 HH2 -0.03 -0.04 -0.18 -0.04 7.19 6.89 2bo8G1 THR 283 H 0.43 0.29 0.15 -0.55 8.28 8.60 2bo8G1 THR 283 HA 0.12 0.21 0.69 -0.75 4.39 4.66 2bo8G1 THR 283 HB 0.05 0.11 -0.17 -0.04 4.32 4.27 2bo8G1 THR 283 HG23 0.02 -0.29 -0.06 -0.04 1.22 0.84 2bo8G1 PRO 284 HA 0.04 0.14 0.43 -0.51 4.44 4.54 2bo8G1 PRO 284 HB2 0.02 0.02 0.07 -0.04 2.28 2.34 2bo8G1 PRO 284 HB3 0.01 0.09 0.10 -0.04 2.02 2.19 2bo8G1 PRO 284 HG2 0.02 0.08 0.10 -0.04 2.03 2.19 2bo8G1 PRO 284 HG3 0.03 0.10 0.09 -0.04 2.03 2.20 2bo8G1 PRO 284 HD2 0.04 0.07 0.21 -0.04 3.68 3.96 2bo8G1 PRO 284 HD3 0.06 0.21 0.20 -0.04 3.65 4.08 2bo8G1 ARG 285 H 0.02 0.13 -0.14 -0.55 8.46 7.92 2bo8G1 ARG 285 HA -0.02 0.12 0.48 -0.75 4.34 4.17 2bo8G1 ARG 285 HB2 -0.01 0.05 0.08 -0.04 1.90 1.98 2bo8G1 ARG 285 HB3 -0.03 -0.04 0.04 -0.04 1.80 1.73 2bo8G1 ARG 285 HG2 -0.12 -0.03 -0.15 -0.04 1.67 1.34 2bo8G1 ARG 285 HG3 -0.07 0.02 0.05 -0.04 1.67 1.63 2bo8G1 ARG 285 HD2 -0.01 0.03 0.01 -0.04 3.22 3.21 2bo8G1 ARG 285 HD3 -0.02 -0.03 0.00 -0.04 3.22 3.13 2bo8G1 GLN 286 H 0.02 0.09 -0.22 -0.55 8.47 7.81 2bo8G1 GLN 286 HA -0.15 0.05 0.48 -0.75 4.36 3.98 2bo8G1 GLN 286 HB2 0.19 0.08 0.18 -0.04 2.15 2.56 2bo8G1 GLN 286 HB3 0.01 0.08 -0.01 -0.04 2.02 2.05 2bo8G1 GLN 286 HG2 -0.16 0.09 0.08 -0.04 2.40 2.38 2bo8G1 GLN 286 HG3 -0.07 -0.17 0.06 -0.04 2.39 2.17 2bo8G1 GLN 286 HE21 -0.07 0.49 0.06 -0.04 6.97 7.41 2bo8G1 GLN 286 HE22 -0.04 -0.18 -0.03 -0.04 7.69 7.40 2bo8G1 VAL 287 H 0.14 0.37 -0.20 -0.55 8.24 7.99 2bo8G1 VAL 287 HA 0.15 0.07 0.33 -0.75 4.13 3.92 2bo8G1 VAL 287 HB 0.02 0.13 0.16 -0.04 2.12 2.39 2bo8G1 VAL 287 HG13 -0.05 -0.00 -0.07 -0.04 0.97 0.80 2bo8G1 VAL 287 HG23 -0.01 0.03 0.02 -0.04 0.95 0.95 2bo8G1 GLU 288 H 0.01 0.31 -0.18 -0.55 8.60 8.20 2bo8G1 GLU 288 HA 0.00 0.05 0.40 -0.75 4.29 3.98 2bo8G1 GLU 288 HB2 -0.01 0.03 0.12 -0.04 2.09 2.20 2bo8G1 GLU 288 HB3 -0.03 0.06 0.17 -0.04 1.99 2.16 2bo8G1 GLU 288 HG2 -0.00 0.01 -0.07 -0.04 2.34 2.24 2bo8G1 GLU 288 HG3 -0.00 -0.01 0.02 -0.04 2.34 2.30 2bo8G1 LEU 289 H -0.09 0.70 -0.01 -0.55 8.37 8.43 2bo8G1 LEU 289 HA -0.08 0.01 0.39 -0.75 4.35 3.92 2bo8G1 LEU 289 HB2 -0.31 0.12 0.19 -0.04 1.64 1.60 2bo8G1 LEU 289 HB3 -0.49 -0.00 -0.07 -0.04 1.64 1.03 2bo8G1 LEU 289 HG -1.21 0.03 -0.01 -0.04 1.64 0.41 2bo8G1 LEU 289 HD13 -0.09 0.00 -0.00 -0.04 0.93 0.80 2bo8G1 LEU 289 HD23 -0.85 -0.03 -0.16 -0.04 0.89 -0.19 2bo8G1 LEU 290 H 0.03 0.41 -0.54 -0.55 8.37 7.72 2bo8G1 LEU 290 HA 0.31 -0.00 0.40 -0.75 4.35 4.31 2bo8G1 LEU 290 HB2 0.06 0.33 0.09 -0.04 1.64 2.08 2bo8G1 LEU 290 HB3 0.07 -0.09 0.03 -0.04 1.64 1.62 2bo8G1 LEU 290 HG 0.06 0.10 -0.01 -0.04 1.64 1.75 2bo8G1 LEU 290 HD13 0.14 0.01 -0.04 -0.04 0.93 1.01 2bo8G1 LEU 290 HD23 -0.18 -0.02 -0.04 -0.04 0.89 0.61 2bo8G1 GLU 291 H 0.06 0.64 -0.35 -0.55 8.60 8.40 2bo8G1 GLU 291 HA 0.05 -0.00 0.45 -0.75 4.29 4.04 2bo8G1 GLU 291 HB2 0.02 0.39 0.22 -0.04 2.09 2.68 2bo8G1 GLU 291 HB3 0.01 -0.04 -0.03 -0.04 1.99 1.90 2bo8G1 GLU 291 HG2 0.01 -0.05 0.04 -0.04 2.34 2.30 2bo8G1 GLU 291 HG3 0.01 -0.03 0.05 -0.04 2.34 2.33 2bo8G1 LEU 292 H 0.10 0.44 -0.40 -0.55 8.37 7.97 2bo8G1 LEU 292 HA -0.10 0.07 0.47 -0.75 4.35 4.04 2bo8G1 LEU 292 HB2 -0.11 0.13 0.05 -0.04 1.64 1.67 2bo8G1 LEU 292 HB3 -0.42 -0.04 0.07 -0.04 1.64 1.21 2bo8G1 LEU 292 HG -0.04 -0.04 0.01 -0.04 1.64 1.53 2bo8G1 LEU 292 HD13 0.03 -0.01 0.01 -0.04 0.93 0.93 2bo8G1 LEU 292 HD23 -0.33 -0.00 -0.02 -0.04 0.89 0.49 2bo8G1 PHE 293 H 0.26 0.55 -0.39 -0.55 8.34 8.21 2bo8G1 PHE 293 HA 0.07 0.13 0.72 -0.75 4.62 4.78 2bo8G1 PHE 293 HB2 0.06 0.13 0.01 -0.04 3.15 3.31 2bo8G1 PHE 293 HB3 0.09 -0.12 -0.00 -0.04 3.06 2.98 2bo8G1 PHE 293 HD2 0.08 -0.02 -0.01 -0.04 7.28 7.29 2bo8G1 PHE 293 HE2 0.11 0.05 -0.10 -0.04 7.38 7.39 2bo8G1 PHE 293 HZ 0.44 -0.04 -0.16 -0.04 7.32 7.53 2bo8G1 THR 294 H 0.21 0.10 0.10 -0.55 8.28 8.13 2bo8G1 THR 294 HA 0.09 0.12 0.45 -0.75 4.39 4.30 2bo8G1 THR 294 HB 0.10 -0.02 0.11 -0.04 4.32 4.47 2bo8G1 THR 294 HG23 0.10 0.04 0.07 -0.04 1.22 1.39 2bo8G1 THR 295 H 0.06 0.14 0.17 -0.55 8.28 8.11 2bo8G1 THR 295 HA 0.04 0.13 0.34 -0.75 4.39 4.14 2bo8G1 THR 295 HB 0.03 0.01 0.16 -0.04 4.32 4.48 2bo8G1 THR 295 HG23 0.01 -0.00 -0.07 -0.04 1.22 1.12 2bo8G1 PRO 296 HA -0.01 0.06 0.37 -0.51 4.44 4.35 2bo8G1 PRO 296 HB2 0.17 0.04 0.00 -0.04 2.28 2.45 2bo8G1 PRO 296 HB3 0.11 0.04 0.07 -0.04 2.02 2.21 2bo8G1 PRO 296 HG2 0.10 0.07 0.04 -0.04 2.03 2.20 2bo8G1 PRO 296 HG3 0.07 0.07 0.06 -0.04 2.03 2.18 2bo8G1 PRO 296 HD2 0.09 0.04 -0.13 -0.04 3.68 3.65 2bo8G1 PRO 296 HD3 0.06 0.10 0.14 -0.04 3.65 3.90 2bo8G1 VAL 297 H 0.13 0.16 -0.31 -0.55 8.24 7.66 2bo8G1 VAL 297 HA -0.01 -0.00 0.39 -0.75 4.13 3.75 2bo8G1 VAL 297 HB 0.21 0.15 -0.01 -0.04 2.12 2.43 2bo8G1 VAL 297 HG13 0.13 0.01 -0.12 -0.04 0.97 0.94 2bo8G1 VAL 297 HG23 0.33 -0.01 -0.04 -0.04 0.95 1.19 2bo8G1 ARG 298 H 0.04 0.60 -0.17 -0.55 8.46 8.37 2bo8G1 ARG 298 HA -0.00 0.04 0.43 -0.75 4.34 4.05 2bo8G1 ARG 298 HB2 0.11 0.22 -0.02 -0.04 1.90 2.17 2bo8G1 ARG 298 HB3 0.03 -0.05 0.05 -0.04 1.80 1.78 2bo8G1 ARG 298 HG2 -0.01 -0.08 -0.27 -0.04 1.67 1.27 2bo8G1 ARG 298 HG3 0.04 -0.05 -0.14 -0.04 1.67 1.48 2bo8G1 ARG 298 HD2 0.02 -0.06 -0.16 -0.04 3.22 2.98 2bo8G1 ARG 298 HD3 0.06 0.16 -0.19 -0.04 3.22 3.20 2bo8G1 GLU 299 H -0.08 0.78 0.02 -0.55 8.60 8.77 2bo8G1 GLU 299 HA -0.10 0.03 0.39 -0.75 4.29 3.85 2bo8G1 GLU 299 HB2 -0.10 0.04 0.09 -0.04 2.09 2.09 2bo8G1 GLU 299 HB3 -0.10 -0.05 0.01 -0.04 1.99 1.81 2bo8G1 GLU 299 HG2 -0.04 0.06 0.03 -0.04 2.34 2.35 2bo8G1 GLU 299 HG3 -0.04 -0.04 -0.01 -0.04 2.34 2.21 2bo8G1 GLY 300 H -0.42 0.58 -0.25 -0.55 8.43 7.79 2bo8G1 GLY 300 HA2 -0.57 -0.08 0.30 -0.51 4.01 3.15 2bo8G1 GLY 300 HA3 -1.98 0.04 0.29 -0.51 4.01 1.85 2bo8G1 LEU 301 H -0.32 0.71 -0.06 -0.55 8.37 8.16 2bo8G1 LEU 301 HA 0.16 0.02 0.31 -0.75 4.35 4.08 2bo8G1 LEU 301 HB2 0.01 0.23 0.17 -0.04 1.64 2.00 2bo8G1 LEU 301 HB3 0.20 0.01 -0.05 -0.04 1.64 1.77 2bo8G1 LEU 301 HG 0.15 -0.03 -0.01 -0.04 1.64 1.71 2bo8G1 LEU 301 HD13 0.12 -0.02 -0.04 -0.04 0.93 0.95 2bo8G1 LEU 301 HD23 0.28 -0.01 -0.01 -0.04 0.89 1.11 2bo8G1 ARG 302 H -0.10 0.41 -0.40 -0.55 8.46 7.81 2bo8G1 ARG 302 HA -0.31 0.02 0.43 -0.75 4.34 3.72 2bo8G1 ARG 302 HB2 -0.13 0.15 0.14 -0.04 1.90 2.02 2bo8G1 ARG 302 HB3 -0.18 -0.08 -0.04 -0.04 1.80 1.46 2bo8G1 ARG 302 HG2 -0.18 -0.08 0.03 -0.04 1.67 1.39 2bo8G1 ARG 302 HG3 -0.06 0.14 0.04 -0.04 1.67 1.74 2bo8G1 ARG 302 HD2 -0.08 -0.01 -0.08 -0.04 3.22 3.01 2bo8G1 ARG 302 HD3 -0.11 -0.07 -0.03 -0.04 3.22 2.97 2bo8G1 THR 303 H -0.12 0.49 -0.10 -0.55 8.28 8.01 2bo8G1 THR 303 HA -0.11 -0.02 0.47 -0.75 4.39 3.98 2bo8G1 THR 303 HB -0.04 0.12 0.12 -0.04 4.32 4.48 2bo8G1 THR 303 HG23 -0.04 -0.03 -0.07 -0.04 1.22 1.04 2bo8G1 CYS 304 H 0.06 0.26 -0.24 -0.55 8.50 8.03 2bo8G1 CYS 304 HA 0.13 0.40 0.45 -0.75 4.58 4.80 2bo8G1 CYS 304 HB2 0.51 0.31 0.14 -0.04 2.97 3.89 2bo8G1 CYS 304 HB3 0.40 0.13 0.09 -0.04 2.97 3.55 2bo8G1 GLN 305 H -0.31 0.45 -0.60 -0.55 8.47 7.47 2bo8G1 GLN 305 HA -0.38 0.10 0.58 -0.75 4.36 3.91 2bo8G1 GLN 305 HB2 -0.44 0.04 0.07 -0.04 2.15 1.78 2bo8G1 GLN 305 HB3 -0.51 -0.11 0.07 -0.04 2.02 1.43 2bo8G1 GLN 305 HG2 -2.73 -0.07 0.00 -0.04 2.40 -0.44 2bo8G1 GLN 305 HG3 -1.53 0.14 0.08 -0.04 2.39 1.04 2bo8G1 GLN 305 HE21 -0.38 -0.10 0.01 -0.04 6.97 6.46 2bo8G1 GLN 305 HE22 -0.60 0.15 0.12 -0.04 7.69 7.32 2bo8G1 ARG 306 H -0.09 0.68 0.06 -0.55 8.46 8.55 2bo8G1 ARG 306 HA -0.04 0.12 0.88 -0.75 4.34 4.54 2bo8G1 ARG 306 HB2 -0.06 0.03 0.14 -0.04 1.90 1.97 2bo8G1 ARG 306 HB3 -0.05 -0.08 0.05 -0.04 1.80 1.68 2bo8G1 ARG 306 HG2 -0.09 -0.00 -0.08 -0.04 1.67 1.45 2bo8G1 ARG 306 HG3 -0.14 0.03 -0.04 -0.04 1.67 1.49 2bo8G1 ARG 306 HD2 -0.06 -0.04 -0.01 -0.04 3.22 3.07 2bo8G1 ARG 306 HD3 -0.09 -0.03 -0.02 -0.04 3.22 3.05 2bo8G1 ARG 307 H -0.01 0.54 0.15 -0.55 8.46 8.60 2bo8G1 ARG 307 HA 0.04 0.14 0.53 -0.75 4.34 4.29 2bo8G1 ARG 307 HB2 0.01 -0.01 0.08 -0.04 1.90 1.94 2bo8G1 ARG 307 HB3 -0.00 0.01 -0.25 -0.04 1.80 1.52 2bo8G1 ARG 307 HG2 -0.02 -0.02 -0.12 -0.04 1.67 1.48 2bo8G1 ARG 307 HG3 -0.00 0.08 -0.41 -0.04 1.67 1.30 2bo8G1 ARG 307 HD2 -0.02 -0.01 -0.07 -0.04 3.22 3.09 2bo8G1 ARG 307 HD3 -0.02 -0.01 -0.10 -0.04 3.22 3.05 2bo8G1 PRO 308 HA 0.16 0.15 0.61 -0.51 4.44 4.86 2bo8G1 PRO 308 HB2 0.26 -0.06 0.00 -0.04 2.28 2.44 2bo8G1 PRO 308 HB3 0.20 0.03 0.06 -0.04 2.02 2.27 2bo8G1 PRO 308 HG2 0.11 -0.05 0.03 -0.04 2.03 2.09 2bo8G1 PRO 308 HG3 0.11 0.14 -0.03 -0.04 2.03 2.22 2bo8G1 PRO 308 HD2 0.06 0.05 0.15 -0.04 3.68 3.90 2bo8G1 PRO 308 HD3 0.06 0.16 0.14 -0.04 3.65 3.97 2bo8G1 ALA 309 H 0.19 0.32 0.21 -0.55 8.40 8.58 2bo8G1 ALA 309 HA -0.17 0.09 0.80 -0.75 4.34 4.31 2bo8G1 ALA 309 HB3 0.09 0.03 0.01 -0.04 1.41 1.51 2bo8G1 PHE 310 H -0.55 -0.10 0.17 -0.55 8.34 7.30 2bo8G1 PHE 310 HA -0.30 0.17 0.60 -0.75 4.62 4.34 2bo8G1 PHE 310 HB2 -0.20 0.14 0.08 -0.04 3.15 3.13 2bo8G1 PHE 310 HB3 -0.10 0.11 -0.06 -0.04 3.06 2.97 2bo8G1 PHE 310 HD2 -0.06 0.03 -0.44 -0.04 7.28 6.77 2bo8G1 PHE 310 HE2 -0.04 0.03 -0.13 -0.04 7.38 7.20 2bo8G1 PHE 310 HZ -0.03 0.01 -0.08 -0.04 7.32 7.18 2bo8G1 ASN 311 H -0.40 -0.02 0.15 -0.55 8.53 7.71 2bo8G1 ASN 311 HA -0.02 0.14 0.36 -0.75 4.76 4.49 2bo8G1 ASN 311 HB2 -0.08 -0.02 0.09 -0.04 2.88 2.82 2bo8G1 ASN 311 HB3 -0.03 0.06 0.01 -0.04 2.79 2.79 2bo8G1 ASN 311 HD21 -0.13 0.04 0.00 -0.04 7.03 6.90 2bo8G1 ASN 311 HD22 -0.11 0.01 0.02 -0.04 7.74 7.62 2bo8G1 PHE 312 H 0.21 0.02 -0.39 -0.55 8.34 7.64 2bo8G1 PHE 312 HA 0.04 0.06 0.32 -0.75 4.62 4.28 2bo8G1 PHE 312 HB2 0.05 -0.03 -0.06 -0.04 3.15 3.07 2bo8G1 PHE 312 HB3 0.01 -0.01 0.01 -0.04 3.06 3.03 2bo8G1 PHE 312 HD2 0.04 -0.12 -0.32 -0.04 7.28 6.84 2bo8G1 PHE 312 HE2 0.07 0.13 -0.27 -0.04 7.38 7.27 2bo8G1 PHE 312 HZ 0.07 0.08 -0.12 -0.04 7.32 7.31 2bo8G1 MET 313 H -0.75 0.44 -0.49 -0.55 8.47 7.12 2bo8G1 MET 313 HA -0.04 0.06 0.45 -0.75 4.52 4.23 2bo8G1 MET 313 HB2 -0.98 -0.07 -0.07 -0.04 2.15 0.99 2bo8G1 MET 313 HB3 -0.39 0.17 0.04 -0.04 2.03 1.81 2bo8G1 MET 313 HG2 -0.11 -0.01 -0.12 -0.04 2.63 2.35 2bo8G1 MET 313 HG3 0.02 0.03 -0.04 -0.04 2.56 2.52 2bo8G1 MET 313 HE3 0.38 0.01 -0.06 -0.04 2.10 2.38 2bo8G1 ASP 314 H 0.07 0.30 -0.13 -0.55 8.40 8.10 2bo8G1 ASP 314 HA 0.07 0.21 0.57 -0.75 4.63 4.73 2bo8G1 ASP 314 HB2 0.13 -0.16 0.20 -0.04 2.71 2.83 2bo8G1 ASP 314 HB3 0.08 0.15 0.08 -0.04 2.70 2.96 2bo8G1 GLU 315 H 0.19 0.19 0.13 -0.55 8.60 8.56 2bo8G1 GLU 315 HA 0.36 0.13 0.30 -0.75 4.29 4.33 2bo8G1 GLU 315 HB2 0.15 -0.06 0.18 -0.04 2.09 2.33 2bo8G1 GLU 315 HB3 0.19 0.08 -0.07 -0.04 1.99 2.15 2bo8G1 GLU 315 HG2 -0.20 0.06 0.03 -0.04 2.34 2.19 2bo8G1 GLU 315 HG3 0.16 -0.01 0.05 -0.04 2.34 2.51 2bo8G1 MET 316 H 0.20 0.07 -0.11 -0.55 8.47 8.08 2bo8G1 MET 316 HA 0.24 0.15 0.31 -0.75 4.52 4.47 2bo8G1 MET 316 HB2 0.14 -0.04 0.09 -0.04 2.15 2.31 2bo8G1 MET 316 HB3 0.14 0.07 0.03 -0.04 2.03 2.23 2bo8G1 MET 316 HG2 0.13 -0.02 0.03 -0.04 2.63 2.72 2bo8G1 MET 316 HG3 0.12 0.08 0.01 -0.04 2.56 2.73 2bo8G1 MET 316 HE3 0.08 0.02 -0.04 -0.04 2.10 2.13 2bo8G1 ALA 317 H 0.20 0.05 -0.15 -0.55 8.40 7.95 2bo8G1 ALA 317 HA 0.20 0.03 0.51 -0.75 4.34 4.32 2bo8G1 ALA 317 HB3 0.24 0.02 0.07 -0.04 1.41 1.70 2bo8G1 TRP 318 H 0.41 0.46 -0.45 -0.55 7.97 7.84 2bo8G1 TRP 318 HA 0.13 -0.01 0.30 -0.75 4.62 4.30 2bo8G1 TRP 318 HB2 0.12 0.07 -0.02 -0.04 3.23 3.36 2bo8G1 TRP 318 HB3 0.22 0.13 0.12 -0.04 3.23 3.66 2bo8G1 TRP 318 HD1 0.24 0.01 -0.06 -0.04 7.22 7.37 2bo8G1 TRP 318 HE1 0.26 0.43 0.15 -0.04 10.20 11.00 2bo8G1 TRP 318 HE3 0.09 -0.01 -0.05 -0.04 7.59 7.59 2bo8G1 TRP 318 HZ2 0.30 0.08 -0.01 -0.04 7.44 7.76 2bo8G1 TRP 318 HZ3 0.07 -0.05 -0.28 -0.04 7.13 6.82 2bo8G1 TRP 318 HH2 0.14 -0.05 -0.06 -0.04 7.19 7.18 2bo8G1 ALA 319 H 0.21 0.50 -0.04 -0.55 8.40 8.53 2bo8G1 ALA 319 HA -0.41 0.05 0.42 -0.75 4.34 3.65 2bo8G1 ALA 319 HB3 -0.15 0.03 0.10 -0.04 1.41 1.34 2bo8G1 ALA 320 H 0.10 0.56 -0.07 -0.55 8.40 8.44 2bo8G1 ALA 320 HA 0.14 0.05 0.40 -0.75 4.34 4.18 2bo8G1 ALA 320 HB3 0.13 0.01 0.13 -0.04 1.41 1.63 2bo8G1 THR 321 H 0.05 0.45 -0.38 -0.55 8.28 7.86 2bo8G1 THR 321 HA 0.29 -0.04 0.36 -0.75 4.39 4.24 2bo8G1 THR 321 HB -0.14 0.17 0.18 -0.04 4.32 4.49 2bo8G1 THR 321 HG23 0.09 -0.03 -0.09 -0.04 1.22 1.15 2bo8G1 TYR 322 H -0.37 0.73 -0.01 -0.55 8.29 8.09 2bo8G1 TYR 322 HA -0.48 -0.07 0.38 -0.75 4.56 3.63 2bo8G1 TYR 322 HB2 -0.85 0.11 0.16 -0.04 3.06 2.43 2bo8G1 TYR 322 HB3 -0.60 0.10 0.11 -0.04 2.98 2.55 2bo8G1 TYR 322 HD2 -0.52 0.04 -0.09 -0.04 7.15 6.54 2bo8G1 TYR 322 HE2 0.01 0.02 0.07 -0.04 6.85 6.91 2bo8G1 HIS 323 H -0.07 0.54 -0.17 -0.55 8.41 8.16 2bo8G1 HIS 323 HA -0.00 0.05 0.44 -0.75 4.63 4.36 2bo8G1 HIS 323 HB2 -0.03 0.08 0.16 -0.04 3.26 3.44 2bo8G1 HIS 323 HB3 -0.04 -0.02 0.02 -0.04 3.20 3.12 2bo8G1 HIS 323 HD2 -0.06 -0.07 -0.12 -0.04 6.97 6.68 2bo8G1 HIS 323 HE1 -0.12 0.14 -0.02 -0.04 7.75 7.71 2bo8G1 VAL 324 H 0.04 0.49 -0.01 -0.55 8.24 8.21 2bo8G1 VAL 324 HA 0.02 0.04 0.40 -0.75 4.13 3.83 2bo8G1 VAL 324 HB -0.29 0.03 0.11 -0.04 2.12 1.93 2bo8G1 VAL 324 HG13 -0.75 -0.02 -0.15 -0.04 0.97 0.00 2bo8G1 VAL 324 HG23 -0.11 0.04 0.11 -0.04 0.95 0.95 2bo8G1 LEU 325 H -0.06 0.54 -0.30 -0.55 8.37 8.00 2bo8G1 LEU 325 HA -0.00 -0.07 0.33 -0.75 4.35 3.85 2bo8G1 LEU 325 HB2 -0.44 0.21 0.19 -0.04 1.64 1.56 2bo8G1 LEU 325 HB3 -0.74 -0.09 -0.04 -0.04 1.64 0.73 2bo8G1 LEU 325 HG 0.17 0.09 -0.03 -0.04 1.64 1.83 2bo8G1 LEU 325 HD13 -0.56 -0.03 -0.10 -0.04 0.93 0.20 2bo8G1 LEU 325 HD23 0.18 -0.04 -0.05 -0.04 0.89 0.94 2bo8G1 LEU 326 H -0.02 0.76 0.06 -0.55 8.37 8.62 2bo8G1 LEU 326 HA 0.07 -0.07 0.36 -0.75 4.35 3.96 2bo8G1 LEU 326 HB2 0.01 0.14 0.22 -0.04 1.64 1.97 2bo8G1 LEU 326 HB3 -0.06 -0.00 0.01 -0.04 1.64 1.54 2bo8G1 LEU 326 HG 0.03 0.08 0.04 -0.04 1.64 1.75 2bo8G1 LEU 326 HD13 -0.00 -0.01 -0.05 -0.04 0.93 0.83 2bo8G1 LEU 326 HD23 -0.21 -0.03 -0.02 -0.04 0.89 0.60 2bo8G1 GLU 327 H -0.06 0.35 -0.49 -0.55 8.60 7.85 2bo8G1 GLU 327 HA -0.17 0.10 0.46 -0.75 4.29 3.93 2bo8G1 GLU 327 HB2 -0.11 -0.01 0.03 -0.04 2.09 1.95 2bo8G1 GLU 327 HB3 -0.16 0.09 0.08 -0.04 1.99 1.96 2bo8G1 GLU 327 HG2 -0.76 -0.02 -0.02 -0.04 2.34 1.50 2bo8G1 GLU 327 HG3 -0.22 -0.03 0.07 -0.04 2.34 2.11 2bo8G1 HIS 328 H -0.15 0.26 -0.06 -0.55 8.41 7.91 2bo8G1 HIS 328 HA -0.23 0.16 0.95 -0.75 4.63 4.76 2bo8G1 HIS 328 HB2 -0.22 0.14 0.03 -0.04 3.26 3.18 2bo8G1 HIS 328 HB3 -0.12 -0.15 0.05 -0.04 3.20 2.93 2bo8G1 HIS 328 HD2 0.02 -0.07 0.03 -0.04 6.97 6.91 2bo8G1 HIS 328 HE1 -0.05 -0.02 -0.02 -0.04 7.75 7.61 2bo8G1 PHE 329 H -0.24 0.67 0.18 -0.55 8.34 8.41 2bo8G1 PHE 329 HA -1.82 -0.11 0.38 -0.75 4.62 2.32 2bo8G1 PHE 329 HB2 -0.32 -0.06 0.10 -0.04 3.15 2.83 2bo8G1 PHE 329 HB3 -0.03 0.17 0.08 -0.04 3.06 3.23 2bo8G1 PHE 329 HD2 0.12 0.07 -0.17 -0.04 7.28 7.27 2bo8G1 PHE 329 HE2 0.12 -0.02 -0.28 -0.04 7.38 7.16 2bo8G1 PHE 329 HZ 0.09 -0.14 -0.13 -0.04 7.32 7.10 2bo8G1 GLN 330 H -1.59 0.01 0.16 -0.55 8.47 6.51 2bo8G1 GLN 330 HA -0.41 0.33 0.86 -0.75 4.36 4.38 2bo8G1 GLN 330 HB2 -0.32 -0.08 0.18 -0.04 2.15 1.90 2bo8G1 GLN 330 HB3 -0.14 -0.09 0.03 -0.04 2.02 1.78 2bo8G1 GLN 330 HG2 -0.27 0.19 -0.14 -0.04 2.40 2.14 2bo8G1 GLN 330 HG3 -0.02 -0.07 -0.00 -0.04 2.39 2.25 2bo8G1 GLN 330 HE21 -0.04 -0.01 -0.02 -0.04 6.97 6.85 2bo8G1 GLN 330 HE22 -0.04 -0.01 -0.03 -0.04 7.69 7.58 2bo8G1 PRO 331 HA -0.10 -0.07 0.28 -0.51 4.44 4.03 2bo8G1 PRO 331 HB2 0.01 0.04 0.02 -0.04 2.28 2.31 2bo8G1 PRO 331 HB3 0.15 -0.06 0.05 -0.04 2.02 2.12 2bo8G1 PRO 331 HG2 0.03 0.08 0.06 -0.04 2.03 2.16 2bo8G1 PRO 331 HG3 0.25 0.04 0.03 -0.04 2.03 2.31 2bo8G1 PRO 331 HD2 -0.11 0.10 0.16 -0.04 3.68 3.79 2bo8G1 PRO 331 HD3 -0.10 0.47 0.18 -0.04 3.65 4.15 2bo8G1 GLY 332 H 0.02 0.06 0.13 -0.55 8.43 8.10 2bo8G1 GLY 332 HA2 0.02 -0.06 0.32 -0.51 4.01 3.78 2bo8G1 GLY 332 HA3 -0.00 0.19 0.50 -0.51 4.01 4.19 2bo8G1 ASP 333 H -0.08 0.55 -0.35 -0.55 8.40 7.97 2bo8G1 ASP 333 HA 0.03 0.20 0.78 -0.75 4.63 4.89 2bo8G1 ASP 333 HB2 0.08 0.13 0.06 -0.04 2.71 2.93 2bo8G1 ASP 333 HB3 0.15 0.07 0.22 -0.04 2.70 3.10 2bo8G1 PRO 334 HA 0.02 0.03 0.23 -0.51 4.44 4.21 2bo8G1 PRO 334 HB2 -0.01 0.05 0.01 -0.04 2.28 2.29 2bo8G1 PRO 334 HB3 -0.01 0.06 0.11 -0.04 2.02 2.15 2bo8G1 PRO 334 HG2 0.00 -0.06 0.12 -0.04 2.03 2.05 2bo8G1 PRO 334 HG3 0.00 0.10 0.11 -0.04 2.03 2.21 2bo8G1 PRO 334 HD2 0.02 0.10 0.28 -0.04 3.68 4.04 2bo8G1 PRO 334 HD3 0.01 0.32 0.28 -0.04 3.65 4.22 2bo8G1 ASP 335 H -0.01 0.15 -0.13 -0.55 8.40 7.86 2bo8G1 ASP 335 HA -0.07 0.11 0.52 -0.75 4.63 4.43 2bo8G1 ASP 335 HB2 -0.14 0.03 0.02 -0.04 2.71 2.58 2bo8G1 ASP 335 HB3 -0.21 0.04 -0.10 -0.04 2.70 2.39 2bo8G1 TRP 336 H 0.08 0.14 -0.15 -0.55 7.97 7.49 2bo8G1 TRP 336 HA 0.06 0.09 0.47 -0.75 4.62 4.48 2bo8G1 TRP 336 HB2 -0.28 0.14 0.20 -0.04 3.23 3.25 2bo8G1 TRP 336 HB3 -0.46 -0.02 -0.02 -0.04 3.23 2.69 2bo8G1 TRP 336 HD1 -0.10 -0.02 0.09 -0.04 7.22 7.15 2bo8G1 TRP 336 HE1 0.01 0.04 0.03 -0.04 10.20 10.24 2bo8G1 TRP 336 HE3 0.28 -0.11 0.03 -0.04 7.59 7.75 2bo8G1 TRP 336 HZ2 0.05 0.03 -0.03 -0.04 7.44 7.45 2bo8G1 TRP 336 HZ3 0.45 -0.00 -0.13 -0.04 7.13 7.40 2bo8G1 TRP 336 HH2 0.08 0.07 -0.12 -0.04 7.19 7.18 2bo8G1 GLU 337 H 0.17 0.60 -0.15 -0.55 8.60 8.67 2bo8G1 GLU 337 HA 0.45 0.02 0.42 -0.75 4.29 4.42 2bo8G1 GLU 337 HB2 0.09 0.10 0.05 -0.04 2.09 2.29 2bo8G1 GLU 337 HB3 0.11 -0.05 -0.03 -0.04 1.99 1.99 2bo8G1 GLU 337 HG2 0.33 -0.04 -0.00 -0.04 2.34 2.58 2bo8G1 GLU 337 HG3 0.16 0.07 -0.05 -0.04 2.34 2.49 2bo8G1 GLU 338 H 0.06 0.62 -0.07 -0.55 8.60 8.66 2bo8G1 GLU 338 HA 0.09 -0.04 0.36 -0.75 4.29 3.94 2bo8G1 GLU 338 HB2 -0.04 -0.01 0.14 -0.04 2.09 2.14 2bo8G1 GLU 338 HB3 -0.07 0.03 0.19 -0.04 1.99 2.10 2bo8G1 GLU 338 HG2 -0.09 0.21 0.08 -0.04 2.34 2.50 2bo8G1 GLU 338 HG3 -0.23 0.00 -0.12 -0.04 2.34 1.96 2bo8G1 LEU 339 H 0.01 0.54 -0.18 -0.55 8.37 8.19 2bo8G1 LEU 339 HA -0.14 0.04 0.40 -0.75 4.35 3.89 2bo8G1 LEU 339 HB2 -0.17 0.10 0.14 -0.04 1.64 1.68 2bo8G1 LEU 339 HB3 0.09 0.06 0.10 -0.04 1.64 1.84 2bo8G1 LEU 339 HG -0.11 -0.04 -0.14 -0.04 1.64 1.31 2bo8G1 LEU 339 HD13 -0.14 -0.01 -0.01 -0.04 0.93 0.72 2bo8G1 LEU 339 HD23 -0.31 0.00 -0.12 -0.04 0.89 0.42 2bo8G1 LEU 340 H 0.27 0.68 -0.07 -0.55 8.37 8.69 2bo8G1 LEU 340 HA 0.08 0.03 0.42 -0.75 4.35 4.13 2bo8G1 LEU 340 HB2 0.03 0.04 0.07 -0.04 1.64 1.74 2bo8G1 LEU 340 HB3 0.19 0.09 0.15 -0.04 1.64 2.02 2bo8G1 LEU 340 HG -0.09 -0.06 -0.35 -0.04 1.64 1.10 2bo8G1 LEU 340 HD13 -0.46 -0.00 -0.03 -0.04 0.93 0.40 2bo8G1 LEU 340 HD23 -0.57 -0.01 -0.11 -0.04 0.89 0.16 2bo8G1 PHE 341 H 0.24 0.62 -0.23 -0.55 8.34 8.42 2bo8G1 PHE 341 HA 0.15 -0.07 0.36 -0.75 4.62 4.31 2bo8G1 PHE 341 HB2 0.02 -0.05 0.07 -0.04 3.15 3.16 2bo8G1 PHE 341 HB3 0.01 0.22 0.16 -0.04 3.06 3.41 2bo8G1 PHE 341 HD2 0.06 0.07 -0.07 -0.04 7.28 7.30 2bo8G1 PHE 341 HE2 0.15 0.05 -0.24 -0.04 7.38 7.30 2bo8G1 PHE 341 HZ 0.05 -0.19 -0.21 -0.04 7.32 6.93 2bo8G1 LYS 342 H -0.01 0.55 -0.09 -0.55 8.42 8.32 2bo8G1 LYS 342 HA -0.32 -0.04 0.35 -0.75 4.32 3.56 2bo8G1 LYS 342 HB2 -0.17 0.05 0.16 -0.04 1.87 1.87 2bo8G1 LYS 342 HB3 -0.11 0.01 0.05 -0.04 1.79 1.70 2bo8G1 LYS 342 HG2 -0.14 -0.08 -0.01 -0.04 1.46 1.19 2bo8G1 LYS 342 HG3 -0.21 0.15 0.02 -0.04 1.46 1.38 2bo8G1 LYS 342 HD2 -1.15 -0.08 -0.04 -0.04 1.69 0.37 2bo8G1 LYS 342 HD3 -0.36 0.11 0.03 -0.04 1.68 1.42 2bo8G1 LYS 342 HE2 -1.54 0.07 -0.16 -0.04 2.99 1.32 2bo8G1 LYS 342 HE3 -0.40 0.00 -0.06 -0.04 2.99 2.50 2bo8G1 LEU 343 H 0.01 0.77 -0.01 -0.55 8.37 8.59 2bo8G1 LEU 343 HA 0.13 -0.01 0.38 -0.75 4.35 4.10 2bo8G1 LEU 343 HB2 0.11 0.18 0.23 -0.04 1.64 2.12 2bo8G1 LEU 343 HB3 0.39 -0.03 -0.01 -0.04 1.64 1.95 2bo8G1 LEU 343 HG 0.02 -0.03 -0.03 -0.04 1.64 1.56 2bo8G1 LEU 343 HD13 -0.09 -0.02 -0.01 -0.04 0.93 0.77 2bo8G1 LEU 343 HD23 -0.25 0.03 -0.15 -0.04 0.89 0.47 2bo8G1 TRP 344 H 0.28 0.74 -0.13 -0.55 7.97 8.30 2bo8G1 TRP 344 HA -0.41 0.02 0.29 -0.75 4.62 3.77 2bo8G1 TRP 344 HB2 0.12 0.05 0.05 -0.04 3.23 3.41 2bo8G1 TRP 344 HB3 -0.12 0.10 0.10 -0.04 3.23 3.27 2bo8G1 TRP 344 HD1 -0.16 0.10 -0.06 -0.04 7.22 7.05 2bo8G1 TRP 344 HE1 -0.10 0.20 -0.22 -0.04 10.20 10.04 2bo8G1 TRP 344 HE3 -0.23 0.16 -0.07 -0.04 7.59 7.41 2bo8G1 TRP 344 HZ2 -0.13 -0.22 -0.30 -0.04 7.44 6.76 2bo8G1 TRP 344 HZ3 0.06 0.01 -0.09 -0.04 7.13 7.07 2bo8G1 TRP 344 HH2 -0.16 -0.05 -0.03 -0.04 7.19 6.90 2bo8G1 THR 345 H -0.23 0.70 -0.11 -0.55 8.28 8.09 2bo8G1 THR 345 HA -0.85 -0.13 0.46 -0.75 4.39 3.11 2bo8G1 THR 345 HB -0.36 0.26 0.20 -0.04 4.32 4.38 2bo8G1 THR 345 HG23 -0.33 -0.04 -0.11 -0.04 1.22 0.70 2bo8G1 THR 346 H -0.18 0.77 -0.07 -0.55 8.28 8.26 2bo8G1 THR 346 HA -0.14 -0.07 0.41 -0.75 4.39 3.84 2bo8G1 THR 346 HB -0.13 -0.13 0.20 -0.04 4.32 4.21 2bo8G1 THR 346 HG23 0.18 0.07 0.09 -0.04 1.22 1.52 2bo8G1 ARG 347 H -0.42 0.43 -0.23 -0.55 8.46 7.69 2bo8G1 ARG 347 HA -0.37 0.16 0.59 -0.75 4.34 3.97 2bo8G1 ARG 347 HB2 -1.00 0.01 0.09 -0.04 1.90 0.96 2bo8G1 ARG 347 HB3 -1.12 0.13 0.22 -0.04 1.80 0.98 2bo8G1 ARG 347 HG2 -2.18 0.02 -0.00 -0.04 1.67 -0.53 2bo8G1 ARG 347 HG3 -0.77 -0.07 -0.16 -0.04 1.67 0.62 2bo8G1 ARG 347 HD2 -0.30 0.04 0.14 -0.04 3.22 3.06 2bo8G1 ARG 347 HD3 -0.25 0.02 -0.04 -0.04 3.22 2.91 2bo8G1 VAL 348 H -0.82 0.64 0.06 -0.55 8.24 7.57 2bo8G1 VAL 348 HA -0.38 0.01 0.39 -0.75 4.13 3.40 2bo8G1 VAL 348 HB -0.88 0.11 0.19 -0.04 2.12 1.50 2bo8G1 VAL 348 HG13 -0.53 -0.03 -0.11 -0.04 0.97 0.26 2bo8G1 VAL 348 HG23 -1.37 0.03 0.01 -0.04 0.95 -0.42 2bo8G1 LEU 349 H -0.44 0.75 -0.03 -0.55 8.37 8.11 2bo8G1 LEU 349 HA -0.34 -0.07 0.41 -0.75 4.35 3.59 2bo8G1 LEU 349 HB2 -0.41 0.16 0.10 -0.04 1.64 1.44 2bo8G1 LEU 349 HB3 -1.32 -0.07 -0.08 -0.04 1.64 0.13 2bo8G1 LEU 349 HG -0.35 0.03 0.01 -0.04 1.64 1.28 2bo8G1 LEU 349 HD13 -0.18 0.00 -0.17 -0.04 0.93 0.54 2bo8G1 LEU 349 HD23 -0.27 -0.04 -0.03 -0.04 0.89 0.51 2bo8G1 ASN 350 H -0.24 0.68 -0.24 -0.55 8.53 8.19 2bo8G1 ASN 350 HA 0.07 -0.09 0.33 -0.75 4.76 4.32 2bo8G1 ASN 350 HB2 -0.10 0.17 0.18 -0.04 2.88 3.09 2bo8G1 ASN 350 HB3 -0.14 0.22 0.23 -0.04 2.79 3.06 2bo8G1 ASN 350 HD21 -0.01 0.01 -0.16 -0.04 7.03 6.83 2bo8G1 ASN 350 HD22 -0.06 0.35 -0.01 -0.04 7.74 7.98 2bo8G1 TYR 351 H -0.10 0.68 -0.08 -0.55 8.29 8.24 2bo8G1 TYR 351 HA -0.27 0.00 0.35 -0.75 4.56 3.90 2bo8G1 TYR 351 HB2 -0.22 0.01 0.07 -0.04 3.06 2.88 2bo8G1 TYR 351 HB3 -0.26 0.10 0.19 -0.04 2.98 2.96 2bo8G1 TYR 351 HD2 -0.29 0.00 -0.01 -0.04 7.15 6.81 2bo8G1 TYR 351 HE2 -0.16 0.10 0.06 -0.04 6.85 6.80 2bo8G1 THR 352 H -0.15 0.85 -0.02 -0.55 8.28 8.41 2bo8G1 THR 352 HA -0.43 -0.05 0.52 -0.75 4.39 3.68 2bo8G1 THR 352 HB -0.17 0.10 0.15 -0.04 4.32 4.36 2bo8G1 THR 352 HG23 -0.19 -0.03 -0.09 -0.04 1.22 0.86 2bo8G1 MET 353 H -0.23 0.65 -0.11 -0.55 8.47 8.25 2bo8G1 MET 353 HA -0.15 0.02 0.28 -0.75 4.52 3.92 2bo8G1 MET 353 HB2 0.05 0.07 0.05 -0.04 2.15 2.28 2bo8G1 MET 353 HB3 0.02 -0.03 0.02 -0.04 2.03 2.00 2bo8G1 MET 353 HG2 -0.42 0.25 0.07 -0.04 2.63 2.50 2bo8G1 MET 353 HG3 -0.11 -0.05 -0.03 -0.04 2.56 2.33 2bo8G1 MET 353 HE3 -0.23 -0.02 -0.03 -0.04 2.10 1.78 2bo8G1 THR 354 H -0.17 0.57 -0.04 -0.55 8.28 8.09 2bo8G1 THR 354 HA -0.13 0.16 0.74 -0.75 4.39 4.41 2bo8G1 THR 354 HB -0.09 -0.05 0.09 -0.04 4.32 4.24 2bo8G1 THR 354 HG23 -0.01 -0.01 -0.02 -0.04 1.22 1.15 2bo8G1 VAL 355 H -0.39 0.26 -0.21 -0.55 8.24 7.36 2bo8G1 VAL 355 HA -0.32 0.21 0.99 -0.75 4.13 4.25 2bo8G1 VAL 355 HB -0.80 0.24 0.23 -0.04 2.12 1.74 2bo8G1 VAL 355 HG13 -0.23 -0.02 -0.13 -0.04 0.97 0.55 2bo8G1 VAL 355 HG23 -0.86 -0.02 -0.12 -0.04 0.95 -0.08 2bo8G1 ALA 356 H -0.69 0.57 0.31 -0.55 8.40 8.05 2bo8G1 ALA 356 HA -0.34 0.03 0.22 -0.75 4.34 3.49 2bo8G1 ALA 356 HB3 -0.43 0.03 0.11 -0.04 1.41 1.08 2bo8G1 LEU 357 H -0.27 0.38 -0.23 -0.55 8.37 7.70 2bo8G1 LEU 357 HA -0.14 -0.03 0.29 -0.75 4.35 3.72 2bo8G1 LEU 357 HB2 -0.18 0.14 0.11 -0.04 1.64 1.67 2bo8G1 LEU 357 HB3 -0.17 0.09 -0.14 -0.04 1.64 1.38 2bo8G1 LEU 357 HG -0.10 -0.01 0.04 -0.04 1.64 1.52 2bo8G1 LEU 357 HD13 -0.10 -0.03 0.03 -0.04 0.93 0.79 2bo8G1 LEU 357 HD23 -0.10 0.02 0.04 -0.04 0.89 0.80 2bo8G1 ARG 358 H -0.26 0.61 -0.67 -0.55 8.46 7.59 2bo8G1 ARG 358 HA -0.20 0.14 0.76 -0.75 4.34 4.28 2bo8G1 ARG 358 HB2 -0.65 0.18 0.06 -0.04 1.90 1.45 2bo8G1 ARG 358 HB3 -0.58 -0.12 0.13 -0.04 1.80 1.19 2bo8G1 ARG 358 HG2 -0.37 -0.05 -0.02 -0.04 1.67 1.18 2bo8G1 ARG 358 HG3 -0.36 -0.05 -0.24 -0.04 1.67 0.98 2bo8G1 ARG 358 HD2 -0.69 0.12 0.13 -0.04 3.22 2.74 2bo8G1 ARG 358 HD3 -1.60 -0.11 0.04 -0.04 3.22 1.51 2bo8G1 GLY 359 H -0.09 0.58 -0.11 -0.55 8.43 8.26 2bo8G1 GLY 359 HA2 0.02 -0.00 0.33 -0.51 4.01 3.85 2bo8G1 GLY 359 HA3 0.03 0.15 0.92 -0.51 4.01 4.59 2bo8G1 TYR 360 H 0.17 0.16 0.17 -0.55 8.29 8.25 2bo8G1 TYR 360 HA 0.02 0.10 0.55 -0.75 4.56 4.47 2bo8G1 TYR 360 HB2 0.02 0.07 0.20 -0.04 3.06 3.30 2bo8G1 TYR 360 HB3 0.03 -0.06 0.20 -0.04 2.98 3.11 2bo8G1 TYR 360 HD2 0.04 -0.07 0.03 -0.04 7.15 7.11 2bo8G1 TYR 360 HE2 0.08 0.26 0.10 -0.04 6.85 7.24 2bo8G1 ASP 361 H 0.19 0.10 0.02 -0.55 8.40 8.17 2bo8G1 ASP 361 HA -0.02 0.10 0.48 -0.75 4.63 4.43 2bo8G1 ASP 361 HB2 0.10 -0.03 0.12 -0.04 2.71 2.87 2bo8G1 ASP 361 HB3 0.07 0.07 -0.03 -0.04 2.70 2.76 2bo8G1 TYR 362 H 0.16 0.11 -0.21 -0.55 8.29 7.80 2bo8G1 TYR 362 HA -0.01 0.03 0.42 -0.75 4.56 4.24 2bo8G1 TYR 362 HB2 -0.03 0.02 0.02 -0.04 3.06 3.03 2bo8G1 TYR 362 HB3 -0.07 0.15 -0.15 -0.04 2.98 2.87 2bo8G1 TYR 362 HD2 -0.06 0.01 -0.23 -0.04 7.15 6.83 2bo8G1 TYR 362 HE2 -0.05 -0.01 -0.00 -0.04 6.85 6.74 2bo8G1 ALA 363 H 0.02 0.45 -0.38 -0.55 8.40 7.94 2bo8G1 ALA 363 HA 0.10 -0.01 0.13 -0.75 4.34 3.81 2bo8G1 ALA 363 HB3 -0.09 0.03 0.06 -0.04 1.41 1.37 2bo8G1 GLN 364 H -0.21 0.41 -0.19 -0.55 8.47 7.94 2bo8G1 GLN 364 HA -0.26 0.06 0.65 -0.75 4.36 4.06 2bo8G1 GLN 364 HB2 -0.15 0.05 0.21 -0.04 2.15 2.22 2bo8G1 GLN 364 HB3 0.07 -0.01 0.00 -0.04 2.02 2.04 2bo8G1 GLN 364 HG2 -0.34 -0.03 -0.02 -0.04 2.40 1.97 2bo8G1 GLN 364 HG3 -0.77 0.02 0.03 -0.04 2.39 1.63 2bo8G1 GLN 364 HE21 0.30 0.02 -0.02 -0.04 6.97 7.23 2bo8G1 GLN 364 HE22 0.13 -0.02 -0.01 -0.04 7.69 7.75 2bo8G1 GLN 365 H -0.08 0.51 0.05 -0.55 8.47 8.41 2bo8G1 GLN 365 HA -0.02 -0.01 0.39 -0.75 4.36 3.97 2bo8G1 GLN 365 HB2 -0.14 -0.04 0.06 -0.04 2.15 2.00 2bo8G1 GLN 365 HB3 -0.13 -0.02 0.12 -0.04 2.02 1.95 2bo8G1 GLN 365 HG2 -0.62 -0.11 0.20 -0.04 2.40 1.83 2bo8G1 GLN 365 HG3 -0.42 0.03 0.14 -0.04 2.39 2.11 2bo8G1 GLN 365 HE21 -0.23 -0.02 -0.04 -0.04 6.97 6.64 2bo8G1 GLN 365 HE22 -0.29 -0.01 -0.07 -0.04 7.69 7.27 2bo8G1 TYR 366 H -0.11 0.68 -0.28 -0.55 8.29 8.02 2bo8G1 TYR 366 HA -0.20 -0.03 0.14 -0.75 4.56 3.72 2bo8G1 TYR 366 HB2 -0.20 0.01 0.04 -0.04 3.06 2.87 2bo8G1 TYR 366 HB3 -0.08 0.14 0.13 -0.04 2.98 3.12 2bo8G1 TYR 366 HD2 -0.04 0.05 -0.10 -0.04 7.15 7.02 2bo8G1 TYR 366 HE2 -0.02 -0.02 -0.05 -0.04 6.85 6.72 2bo8G1 LEU 367 H -0.17 0.58 -0.01 -0.55 8.37 8.21 2bo8G1 LEU 367 HA -0.38 -0.04 0.31 -0.75 4.35 3.48 2bo8G1 LEU 367 HB2 -1.15 0.10 0.18 -0.04 1.64 0.73 2bo8G1 LEU 367 HB3 -2.11 -0.04 0.02 -0.04 1.64 -0.52 2bo8G1 LEU 367 HG -0.34 0.19 0.14 -0.04 1.64 1.59 2bo8G1 LEU 367 HD13 -1.87 -0.01 0.01 -0.04 0.93 -0.99 2bo8G1 LEU 367 HD23 -0.59 -0.04 0.00 -0.04 0.89 0.23 2bo8G1 TYR 368 H -0.16 0.58 -0.15 -0.55 8.29 8.01 2bo8G1 TYR 368 HA 0.08 0.06 0.47 -0.75 4.56 4.42 2bo8G1 TYR 368 HB2 -0.06 0.12 0.17 -0.04 3.06 3.24 2bo8G1 TYR 368 HB3 -0.01 -0.03 0.02 -0.04 2.98 2.91 2bo8G1 TYR 368 HD2 0.03 0.04 -0.04 -0.04 7.15 7.15 2bo8G1 TYR 368 HE2 0.18 0.01 -0.03 -0.04 6.85 6.97 2bo8G1 ARG 369 H -0.08 0.70 0.04 -0.55 8.46 8.57 2bo8G1 ARG 369 HA -0.09 -0.03 0.32 -0.75 4.34 3.79 2bo8G1 ARG 369 HB2 -0.11 -0.00 0.09 -0.04 1.90 1.84 2bo8G1 ARG 369 HB3 -0.24 0.11 0.08 -0.04 1.80 1.70 2bo8G1 ARG 369 HG2 -0.17 -0.02 -0.07 -0.04 1.67 1.36 2bo8G1 ARG 369 HG3 -0.12 -0.04 0.05 -0.04 1.67 1.53 2bo8G1 ARG 369 HD2 -0.07 -0.00 -0.00 -0.04 3.22 3.10 2bo8G1 ARG 369 HD3 -0.11 0.00 -0.03 -0.04 3.22 3.04 2bo8G1 MET 370 H -0.43 0.65 -0.28 -0.55 8.47 7.85 2bo8G1 MET 370 HA -0.53 -0.08 0.47 -0.75 4.52 3.63 2bo8G1 MET 370 HB2 -0.74 0.03 0.10 -0.04 2.15 1.50 2bo8G1 MET 370 HB3 -0.30 0.27 0.23 -0.04 2.03 2.18 2bo8G1 MET 370 HG2 -0.82 -0.00 -0.15 -0.04 2.63 1.62 2bo8G1 MET 370 HG3 -0.46 -0.12 0.02 -0.04 2.56 1.97 2bo8G1 MET 370 HE3 0.21 0.03 -0.06 -0.04 2.10 2.24 2bo8G1 LEU 371 H -0.12 0.51 0.05 -0.55 8.37 8.27 2bo8G1 LEU 371 HA -0.00 -0.03 0.41 -0.75 4.35 3.97 2bo8G1 LEU 371 HB2 -0.10 0.12 0.13 -0.04 1.64 1.74 2bo8G1 LEU 371 HB3 -0.12 -0.01 0.02 -0.04 1.64 1.49 2bo8G1 LEU 371 HG 0.22 0.19 0.17 -0.04 1.64 2.18 2bo8G1 LEU 371 HD13 -0.07 0.00 0.02 -0.04 0.93 0.84 2bo8G1 LEU 371 HD23 0.13 -0.02 -0.10 -0.04 0.89 0.86 2bo8G1 GLY 372 H -0.12 0.49 -0.23 -0.55 8.43 8.03 2bo8G1 GLY 372 HA2 -0.07 0.04 0.30 -0.51 4.01 3.77 2bo8G1 GLY 372 HA3 -0.06 0.00 0.29 -0.51 4.01 3.73 2bo8G1 ARG 373 H -0.14 0.66 -0.12 -0.55 8.46 8.30 2bo8G1 ARG 373 HA 0.03 -0.02 0.45 -0.75 4.34 4.05 2bo8G1 ARG 373 HB2 -0.21 0.16 0.23 -0.04 1.90 2.04 2bo8G1 ARG 373 HB3 -0.01 -0.10 0.02 -0.04 1.80 1.67 2bo8G1 ARG 373 HG2 -0.04 -0.04 0.05 -0.04 1.67 1.60 2bo8G1 ARG 373 HG3 -0.11 0.10 0.05 -0.04 1.67 1.67 2bo8G1 ARG 373 HD2 -0.02 -0.06 0.00 -0.04 3.22 3.10 2bo8G1 ARG 373 HD3 -0.05 -0.04 -0.01 -0.04 3.22 3.09 2bo8G1 TYR 374 H -0.05 0.59 -0.07 -0.55 8.29 8.20 2bo8G1 TYR 374 HA 0.02 -0.05 0.34 -0.75 4.56 4.11 2bo8G1 TYR 374 HB2 -0.03 0.12 0.16 -0.04 3.06 3.28 2bo8G1 TYR 374 HB3 -0.04 0.01 -0.06 -0.04 2.98 2.85 2bo8G1 TYR 374 HD2 0.02 -0.00 -0.07 -0.04 7.15 7.05 2bo8G1 TYR 374 HE2 0.15 -0.06 -0.10 -0.04 6.85 6.81 2bo8G1 ARG 375 H 0.09 0.60 -0.17 -0.55 8.46 8.42 2bo8G1 ARG 375 HA 0.04 0.20 0.41 -0.75 4.34 4.23 2bo8G1 ARG 375 HB2 0.04 0.06 0.20 -0.04 1.90 2.16 2bo8G1 ARG 375 HB3 0.05 -0.03 0.00 -0.04 1.80 1.78 2bo8G1 ARG 375 HG2 0.02 0.05 0.13 -0.04 1.67 1.84 2bo8G1 ARG 375 HG3 -0.04 0.00 0.03 -0.04 1.67 1.62 2bo8G1 ARG 375 HD2 0.07 -0.06 0.01 -0.04 3.22 3.20 2bo8G1 ARG 375 HD3 0.12 0.25 0.09 -0.04 3.22 3.65 2bo8G1 TYR 376 H 0.19 0.55 -0.07 -0.55 8.29 8.41 2bo8G1 TYR 376 HA 0.01 0.01 0.39 -0.75 4.56 4.22 2bo8G1 TYR 376 HB2 0.02 0.03 0.14 -0.04 3.06 3.21 2bo8G1 TYR 376 HB3 0.03 0.04 0.14 -0.04 2.98 3.15 2bo8G1 TYR 376 HD2 0.03 0.01 -0.06 -0.04 7.15 7.08 2bo8G1 TYR 376 HE2 0.03 -0.03 -0.03 -0.04 6.85 6.79 2bo8G1 GLN 377 H 0.18 0.57 -0.14 -0.55 8.47 8.53 2bo8G1 GLN 377 HA 0.02 -0.03 0.43 -0.75 4.36 4.03 2bo8G1 GLN 377 HB2 0.15 -0.09 0.09 -0.04 2.15 2.27 2bo8G1 GLN 377 HB3 0.15 0.10 0.16 -0.04 2.02 2.39 2bo8G1 GLN 377 HG2 0.05 0.09 -0.20 -0.04 2.40 2.30 2bo8G1 GLN 377 HG3 0.07 -0.08 0.01 -0.04 2.39 2.35 2bo8G1 GLN 377 HE21 0.18 -0.11 -0.03 -0.04 6.97 6.96 2bo8G1 GLN 377 HE22 0.17 0.01 -0.04 -0.04 7.69 7.80 2bo8G1 ALA 378 H 0.04 0.66 -0.06 -0.55 8.40 8.49 2bo8G1 ALA 378 HA -0.01 -0.04 0.40 -0.75 4.34 3.93 2bo8G1 ALA 378 HB3 -0.02 0.01 0.18 -0.04 1.41 1.55 2bo8G1 ALA 379 H -0.06 0.54 -0.04 -0.55 8.40 8.29 2bo8G1 ALA 379 HA 0.05 0.04 0.42 -0.75 4.34 4.09 2bo8G1 ALA 379 HB3 -0.10 -0.03 0.07 -0.04 1.41 1.31 2bo8G1 LEU 380 H -0.14 0.30 -0.54 -0.55 8.37 7.45 2bo8G1 LEU 380 HA -0.13 -0.02 0.54 -0.75 4.35 3.99 2bo8G1 LEU 380 HB2 -0.12 0.20 0.20 -0.04 1.64 1.87 2bo8G1 LEU 380 HB3 -0.08 -0.12 -0.00 -0.04 1.64 1.40 2bo8G1 LEU 380 HG -0.61 0.17 0.02 -0.04 1.64 1.18 2bo8G1 LEU 380 HD13 -0.02 -0.06 -0.01 -0.04 0.93 0.81 2bo8G1 LEU 380 HD23 -0.23 -0.03 0.01 -0.04 0.89 0.60 2bo8G1 GLU 381 H -0.04 0.30 -0.12 -0.55 8.60 8.19 2bo8G1 GLU 381 HA -0.03 0.08 0.97 -0.75 4.29 4.55 2bo8G1 GLU 381 HB2 -0.04 -0.14 0.09 -0.04 2.09 1.96 2bo8G1 GLU 381 HB3 -0.04 -0.16 0.01 -0.04 1.99 1.77 2bo8G1 GLU 381 HG2 -0.05 0.31 0.08 -0.04 2.34 2.64 2bo8G1 GLU 381 HG3 -0.07 -0.19 0.05 -0.04 2.34 2.09