============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. PHE 5 1.000 18.750 29.406 94.530 -99.200 -91.000 TYR 7 0.840 16.923 28.377 90.153 -99.200 -91.000 TYR 10 0.840 12.015 38.288 95.563 -99.200 -91.000 HIS 11 0.900 16.794 31.370 97.220 -99.200 -91.000 TYR 17 0.840 28.262 35.993 96.271 -99.200 -91.000 HIS 18 0.900 25.698 25.976 98.167 -99.200 -91.000 PHE 27 1.000 24.290 21.636 83.956 -99.200 -91.000 HIS 38 0.900 37.846 40.213 97.300 -99.200 -91.000 PHE 40 1.000 33.747 51.023 102.089 -99.200 -91.000 TYR 46 0.840 32.419 34.407 94.355 -99.200 -91.000 PHE 50 1.000 26.347 30.944 82.241 -99.200 -91.000 TRP 62 1.040 28.825 42.706 82.765 -99.200 -91.000 TRP6 62 1.020 30.756 41.683 83.690 -99.200 -91.000 HIS 68 0.900 20.546 51.404 90.912 -99.200 -91.000 TRP 72 1.040 15.519 42.421 97.430 -99.200 -91.000 TRP6 72 1.020 14.408 41.315 99.206 -99.200 -91.000 TRP 80 1.040 14.150 31.159 85.773 -99.200 -91.000 TRP6 80 1.020 14.291 31.612 83.447 -99.200 -91.000 TYR 89 0.840 25.871 24.430 74.853 -99.200 -91.000 PHE 105 1.000 33.051 36.656 80.567 -99.200 -91.000 TYR 115 0.840 20.293 40.403 97.438 -99.200 -91.000 TYR 117 0.840 21.948 49.020 105.243 -99.200 -91.000 TRP 125 1.040 21.803 51.100 100.778 -99.200 -91.000 TRP6 125 1.020 21.881 53.112 102.019 -99.200 -91.000 TRP 146 1.040 28.976 52.406 85.858 -99.200 -91.000 TRP6 146 1.020 29.879 50.363 85.035 -99.200 -91.000 PHE 150 1.000 31.962 60.979 88.673 -99.200 -91.000 TYR 164 0.840 28.015 61.274 96.658 -99.200 -91.000 HIS 165 0.900 28.730 63.386 91.822 -99.200 -91.000 HIS 168 0.900 37.726 58.668 92.675 -99.200 -91.000 PHE 181 1.000 36.170 39.573 83.622 -99.200 -91.000 HIS 185 0.900 36.591 39.497 76.759 -99.200 -91.000 PHE 188 1.000 32.841 41.454 78.285 -99.200 -91.000 PHE 191 1.000 27.377 46.783 81.023 -99.200 -91.000 HIS 195 0.900 19.516 49.357 86.782 -99.200 -91.000 TYR 197 0.840 8.929 50.779 90.486 -99.200 -91.000 TYR 203 0.840 17.360 53.392 72.256 -99.200 -91.000 TYR 205 0.840 25.258 58.823 74.207 -99.200 -91.000 TYR 207 0.840 26.885 61.087 78.005 -99.200 -91.000 TYR 237 0.840 9.748 45.178 79.826 -99.200 -91.000 TYR 247 0.840 15.677 58.430 86.134 -99.200 -91.000 TRP 256 1.040 32.882 52.971 81.031 -99.200 -91.000 TRP6 256 1.020 33.186 50.633 80.700 -99.200 -91.000 TYR 258 0.840 26.446 53.937 71.863 -99.200 -91.000 PHE 264 1.000 24.945 45.357 68.597 -99.200 -91.000 PHE 266 1.000 19.920 47.146 73.361 -99.200 -91.000 PHE 268 1.000 15.819 43.646 78.816 -99.200 -91.000 TYR 276 0.840 2.208 43.534 94.408 -99.200 -91.000 PHE 278 1.000 12.318 50.388 94.055 -99.200 -91.000 TRP 293 1.040 16.122 32.500 78.095 -99.200 -91.000 TRP6 293 1.020 18.406 33.128 78.227 -99.200 -91.000 HIS 302 0.900 21.025 43.348 65.817 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bo9A1 SER 3 HA 0.01 -0.05 0.18 -0.75 4.49 3.88 2bo9A1 SER 3 HB2 0.02 -0.02 -0.05 -0.04 3.95 3.86 2bo9A1 SER 3 HB3 -0.01 0.03 0.03 -0.04 3.93 3.94 2bo9A1 SER 4 H 0.05 0.25 0.14 -0.55 8.46 8.36 2bo9A1 SER 4 HA 0.06 0.15 0.63 -0.75 4.49 4.58 2bo9A1 SER 4 HB2 0.09 0.15 -0.07 -0.04 3.95 4.08 2bo9A1 SER 4 HB3 0.07 0.02 0.01 -0.04 3.93 3.99 2bo9A1 ASN 5 H 0.04 0.19 0.06 -0.55 8.53 8.28 2bo9A1 ASN 5 HA 0.06 0.27 0.92 -0.75 4.76 5.26 2bo9A1 ASN 5 HB2 0.03 0.01 0.18 -0.04 2.88 3.07 2bo9A1 ASN 5 HB3 0.03 0.06 -0.03 -0.04 2.79 2.82 2bo9A1 ASN 5 HD21 0.02 0.01 -0.03 -0.04 7.03 6.98 2bo9A1 ASN 5 HD22 0.02 0.03 -0.02 -0.04 7.74 7.72 2bo9A1 ASN 6 H 0.08 0.06 -0.15 -0.55 8.53 7.97 2bo9A1 ASN 6 HA 0.04 0.23 0.79 -0.75 4.76 5.07 2bo9A1 ASN 6 HB2 0.02 0.00 -0.17 -0.04 2.88 2.69 2bo9A1 ASN 6 HB3 0.02 0.00 -0.00 -0.04 2.79 2.77 2bo9A1 ASN 6 HD21 -0.00 -0.01 0.04 -0.04 7.03 7.02 2bo9A1 ASN 6 HD22 -0.01 -0.01 0.01 -0.04 7.74 7.69 2bo9A1 PHE 7 H 0.14 0.17 -0.17 -0.55 8.34 7.93 2bo9A1 PHE 7 HA -0.12 0.19 0.87 -0.75 4.62 4.80 2bo9A1 PHE 7 HB2 -0.16 -0.03 -0.11 -0.04 3.15 2.81 2bo9A1 PHE 7 HB3 -0.18 0.03 0.07 -0.04 3.06 2.94 2bo9A1 PHE 7 HD2 -0.78 -0.03 -0.22 -0.04 7.28 6.21 2bo9A1 PHE 7 HE2 -0.76 -0.05 -0.30 -0.04 7.38 6.23 2bo9A1 PHE 7 HZ -0.31 -0.04 -0.12 -0.04 7.32 6.81 2bo9A1 ASN 8 H -0.12 0.22 -0.08 -0.55 8.53 8.01 2bo9A1 ASN 8 HA 0.09 0.12 0.61 -0.75 4.76 4.82 2bo9A1 ASN 8 HB2 -0.00 0.07 -0.04 -0.04 2.88 2.86 2bo9A1 ASN 8 HB3 -0.07 0.02 0.06 -0.04 2.79 2.77 2bo9A1 ASN 8 HD21 -0.02 0.05 -0.14 -0.04 7.03 6.88 2bo9A1 ASN 8 HD22 -0.04 0.03 -0.10 -0.04 7.74 7.60 2bo9A1 TYR 9 H 0.36 0.24 0.13 -0.55 8.29 8.47 2bo9A1 TYR 9 HA 0.20 0.15 0.40 -0.75 4.56 4.56 2bo9A1 TYR 9 HB2 0.22 -0.00 0.08 -0.04 3.06 3.32 2bo9A1 TYR 9 HB3 0.40 0.00 0.07 -0.04 2.98 3.41 2bo9A1 TYR 9 HD2 0.25 -0.01 -0.00 -0.04 7.15 7.35 2bo9A1 TYR 9 HE2 0.02 0.08 -0.18 -0.04 6.85 6.73 2bo9A1 GLY 10 H 0.10 0.01 -0.42 -0.55 8.43 7.57 2bo9A1 GLY 10 HA2 -0.02 0.11 0.69 -0.51 4.01 4.28 2bo9A1 GLY 10 HA3 0.00 -0.01 0.27 -0.51 4.01 3.77 2bo9A1 ALA 11 H -0.13 0.45 -0.42 -0.55 8.40 7.75 2bo9A1 ALA 11 HA -0.25 0.06 0.70 -0.75 4.34 4.10 2bo9A1 ALA 11 HB3 -0.30 0.02 -0.01 -0.04 1.41 1.08 2bo9A1 TYR 12 H -0.13 0.09 0.13 -0.55 8.29 7.83 2bo9A1 TYR 12 HA -0.12 0.11 0.67 -0.75 4.56 4.46 2bo9A1 TYR 12 HB2 -0.08 -0.01 0.10 -0.04 3.06 3.02 2bo9A1 TYR 12 HB3 -0.39 0.06 0.01 -0.04 2.98 2.61 2bo9A1 TYR 12 HD2 0.12 -0.01 0.02 -0.04 7.15 7.24 2bo9A1 TYR 12 HE2 0.20 0.00 -0.23 -0.04 6.85 6.78 2bo9A1 HIS 13 H 0.05 0.17 0.15 -0.55 8.41 8.23 2bo9A1 HIS 13 HA -0.12 0.19 0.91 -0.75 4.63 4.86 2bo9A1 HIS 13 HB2 0.01 0.01 -0.03 -0.04 3.26 3.20 2bo9A1 HIS 13 HB3 0.01 -0.07 -0.02 -0.04 3.20 3.07 2bo9A1 HIS 13 HD2 -0.49 0.08 -0.11 -0.04 6.97 6.41 2bo9A1 HIS 13 HE1 -0.50 -0.04 0.01 -0.04 7.75 7.18 2bo9A1 SER 14 H 0.06 0.12 0.14 -0.55 8.46 8.24 2bo9A1 SER 14 HA -0.10 0.20 0.54 -0.75 4.49 4.38 2bo9A1 SER 14 HB2 -0.03 -0.01 0.15 -0.04 3.95 4.02 2bo9A1 SER 14 HB3 -0.03 0.16 0.14 -0.04 3.93 4.15 2bo9A1 LEU 15 H 0.02 0.22 0.14 -0.55 8.37 8.20 2bo9A1 LEU 15 HA -0.03 0.12 0.44 -0.75 4.35 4.12 2bo9A1 LEU 15 HB2 0.12 0.05 0.13 -0.04 1.64 1.89 2bo9A1 LEU 15 HB3 -0.07 -0.02 0.12 -0.04 1.64 1.63 2bo9A1 LEU 15 HG -0.95 0.01 -0.18 -0.04 1.64 0.48 2bo9A1 LEU 15 HD13 -0.22 0.01 0.05 -0.04 0.93 0.74 2bo9A1 LEU 15 HD23 -0.05 0.03 -0.01 -0.04 0.89 0.82 2bo9A1 GLU 16 H -0.04 0.11 -0.09 -0.55 8.60 8.04 2bo9A1 GLU 16 HA 0.02 0.12 0.39 -0.75 4.29 4.07 2bo9A1 GLU 16 HB2 0.02 0.04 0.09 -0.04 2.09 2.20 2bo9A1 GLU 16 HB3 0.02 -0.04 0.04 -0.04 1.99 1.97 2bo9A1 GLU 16 HG2 0.05 0.01 -0.24 -0.04 2.34 2.12 2bo9A1 GLU 16 HG3 0.09 0.03 0.01 -0.04 2.34 2.43 2bo9A1 ALA 17 H 0.05 0.02 -0.37 -0.55 8.40 7.55 2bo9A1 ALA 17 HA 0.08 0.10 0.37 -0.75 4.34 4.14 2bo9A1 ALA 17 HB3 0.13 0.03 0.05 -0.04 1.41 1.57 2bo9A1 ILE 18 H 0.11 0.52 -0.19 -0.55 8.25 8.13 2bo9A1 ILE 18 HA 0.08 0.05 0.46 -0.75 4.18 4.01 2bo9A1 ILE 18 HB 0.02 0.07 0.11 -0.04 1.89 2.05 2bo9A1 ILE 18 HG12 0.21 -0.01 -0.06 -0.04 1.49 1.59 2bo9A1 ILE 18 HG13 0.20 0.04 -0.11 -0.04 1.21 1.30 2bo9A1 ILE 18 HG23 0.10 -0.01 -0.16 -0.04 0.93 0.82 2bo9A1 ILE 18 HD13 -0.02 -0.02 -0.15 -0.04 0.88 0.65 2bo9A1 TYR 19 H 0.12 0.61 -0.11 -0.55 8.29 8.36 2bo9A1 TYR 19 HA -0.03 0.02 0.32 -0.75 4.56 4.12 2bo9A1 TYR 19 HB2 0.08 0.08 0.15 -0.04 3.06 3.33 2bo9A1 TYR 19 HB3 -0.00 -0.00 -0.04 -0.04 2.98 2.90 2bo9A1 TYR 19 HD2 0.16 -0.04 -0.07 -0.04 7.15 7.16 2bo9A1 TYR 19 HE2 0.10 -0.00 0.01 -0.04 6.85 6.91 2bo9A1 HIS 20 H 0.20 0.53 -0.21 -0.55 8.41 8.38 2bo9A1 HIS 20 HA -0.04 0.03 0.42 -0.75 4.63 4.29 2bo9A1 HIS 20 HB2 0.03 0.04 0.10 -0.04 3.26 3.39 2bo9A1 HIS 20 HB3 -0.00 0.07 0.11 -0.04 3.20 3.34 2bo9A1 HIS 20 HD2 0.00 -0.01 -0.01 -0.04 6.97 6.91 2bo9A1 HIS 20 HE1 -0.02 0.04 -0.05 -0.04 7.75 7.68 2bo9A1 GLU 21 H -0.05 0.53 -0.21 -0.55 8.60 8.33 2bo9A1 GLU 21 HA -0.21 0.02 0.42 -0.75 4.29 3.77 2bo9A1 GLU 21 HB2 -1.01 0.00 0.06 -0.04 2.09 1.10 2bo9A1 GLU 21 HB3 -0.69 0.07 0.11 -0.04 1.99 1.44 2bo9A1 GLU 21 HG2 -1.99 -0.02 -0.08 -0.04 2.34 0.21 2bo9A1 GLU 21 HG3 -0.50 0.01 -0.14 -0.04 2.34 1.67 2bo9A1 MET 22 H -0.11 0.60 -0.13 -0.55 8.47 8.28 2bo9A1 MET 22 HA -0.12 0.01 0.48 -0.75 4.52 4.14 2bo9A1 MET 22 HB2 -0.14 0.15 0.10 -0.04 2.15 2.21 2bo9A1 MET 22 HB3 -0.16 -0.03 -0.08 -0.04 2.03 1.72 2bo9A1 MET 22 HG2 -0.05 -0.04 -0.03 -0.04 2.63 2.47 2bo9A1 MET 22 HG3 -0.03 0.18 0.02 -0.04 2.56 2.69 2bo9A1 MET 22 HE3 -0.06 0.07 -0.29 -0.04 2.10 1.79 2bo9A1 ASP 23 H -0.20 0.48 -0.22 -0.55 8.40 7.92 2bo9A1 ASP 23 HA -0.21 -0.00 0.45 -0.75 4.63 4.12 2bo9A1 ASP 23 HB2 -0.26 0.11 0.19 -0.04 2.71 2.70 2bo9A1 ASP 23 HB3 -0.31 0.06 0.01 -0.04 2.70 2.42 2bo9A1 ASN 24 H -0.22 0.50 -0.15 -0.55 8.53 8.12 2bo9A1 ASN 24 HA -0.13 0.05 0.38 -0.75 4.76 4.31 2bo9A1 ASN 24 HB2 -0.14 0.00 0.05 -0.04 2.88 2.75 2bo9A1 ASN 24 HB3 -0.13 0.07 0.15 -0.04 2.79 2.84 2bo9A1 ASN 24 HD21 0.02 -0.14 -0.13 -0.04 7.03 6.73 2bo9A1 ASN 24 HD22 -0.06 -0.04 -0.08 -0.04 7.74 7.52 2bo9A1 ILE 25 H -0.10 0.54 -0.19 -0.55 8.25 7.95 2bo9A1 ILE 25 HA 0.10 0.03 0.40 -0.75 4.18 3.96 2bo9A1 ILE 25 HB -0.07 0.08 0.13 -0.04 1.89 1.99 2bo9A1 ILE 25 HG12 -0.04 -0.02 -0.04 -0.04 1.49 1.35 2bo9A1 ILE 25 HG13 -0.07 0.06 0.02 -0.04 1.21 1.18 2bo9A1 ILE 25 HG23 -0.00 -0.01 -0.22 -0.04 0.93 0.66 2bo9A1 ILE 25 HD13 -0.05 -0.04 -0.16 -0.04 0.88 0.58 2bo9A1 ALA 26 H -0.09 0.51 -0.16 -0.55 8.40 8.11 2bo9A1 ALA 26 HA -0.04 0.06 0.27 -0.75 4.34 3.88 2bo9A1 ALA 26 HB3 -0.14 0.01 -0.02 -0.04 1.41 1.22 2bo9A1 ALA 27 H -0.08 0.47 -0.29 -0.55 8.40 7.96 2bo9A1 ALA 27 HA -0.07 0.02 0.47 -0.75 4.34 4.00 2bo9A1 ALA 27 HB3 -0.09 -0.01 0.09 -0.04 1.41 1.36 2bo9A1 ASP 28 H -0.03 0.39 -0.20 -0.55 8.40 8.01 2bo9A1 ASP 28 HA -0.22 0.10 0.74 -0.75 4.63 4.49 2bo9A1 ASP 28 HB2 -0.09 0.06 0.12 -0.04 2.71 2.76 2bo9A1 ASP 28 HB3 -0.64 -0.08 0.07 -0.04 2.70 2.01 2bo9A1 PHE 29 H 0.08 0.35 -0.22 -0.55 8.34 8.00 2bo9A1 PHE 29 HA -0.03 0.15 0.87 -0.75 4.62 4.86 2bo9A1 PHE 29 HB2 -0.03 0.06 0.18 -0.04 3.15 3.31 2bo9A1 PHE 29 HB3 -0.02 -0.10 0.21 -0.04 3.06 3.11 2bo9A1 PHE 29 HD2 -0.02 0.09 0.04 -0.04 7.28 7.35 2bo9A1 PHE 29 HE2 -0.04 -0.02 -0.03 -0.04 7.38 7.25 2bo9A1 PHE 29 HZ -0.05 -0.05 -0.06 -0.04 7.32 7.11 2bo9A1 PRO 30 HA -0.03 0.36 0.40 -0.51 4.44 4.67 2bo9A1 PRO 30 HB2 -0.04 -0.07 0.05 -0.04 2.28 2.18 2bo9A1 PRO 30 HB3 -0.05 0.10 0.16 -0.04 2.02 2.20 2bo9A1 PRO 30 HG2 -0.04 -0.07 -0.00 -0.04 2.03 1.88 2bo9A1 PRO 30 HG3 -0.06 0.05 0.04 -0.04 2.03 2.02 2bo9A1 PRO 30 HD2 -0.10 0.12 -0.17 -0.04 3.68 3.50 2bo9A1 PRO 30 HD3 -0.10 0.26 -0.55 -0.04 3.65 3.23 2bo9A1 ASP 31 H 0.01 0.11 -0.28 -0.55 8.40 7.70 2bo9A1 ASP 31 HA -0.01 0.14 0.71 -0.75 4.63 4.71 2bo9A1 ASP 31 HB2 0.03 0.00 0.02 -0.04 2.71 2.73 2bo9A1 ASP 31 HB3 0.02 0.01 0.12 -0.04 2.70 2.81 2bo9A1 LEU 32 H 0.02 0.36 -0.14 -0.55 8.37 8.06 2bo9A1 LEU 32 HA -0.10 0.35 1.04 -0.75 4.35 4.88 2bo9A1 LEU 32 HB2 -0.08 -0.03 -0.06 -0.04 1.64 1.43 2bo9A1 LEU 32 HB3 0.04 0.09 0.11 -0.04 1.64 1.84 2bo9A1 LEU 32 HG 0.02 -0.07 -0.17 -0.04 1.64 1.38 2bo9A1 LEU 32 HD13 -0.54 0.02 -0.04 -0.04 0.93 0.33 2bo9A1 LEU 32 HD23 -0.18 -0.01 -0.08 -0.04 0.89 0.58 2bo9A1 ALA 33 H -0.02 0.53 0.31 -0.55 8.40 8.67 2bo9A1 ALA 33 HA -0.35 0.41 1.13 -0.75 4.34 4.78 2bo9A1 ALA 33 HB3 -0.15 -0.03 -0.07 -0.04 1.41 1.12 2bo9A1 ARG 34 H -0.36 0.48 0.34 -0.55 8.46 8.37 2bo9A1 ARG 34 HA -0.14 0.15 0.82 -0.75 4.34 4.42 2bo9A1 ARG 34 HB2 -0.09 0.11 -0.14 -0.04 1.90 1.73 2bo9A1 ARG 34 HB3 -0.12 -0.08 0.03 -0.04 1.80 1.59 2bo9A1 ARG 34 HG2 -0.05 0.03 -0.28 -0.04 1.67 1.33 2bo9A1 ARG 34 HG3 -0.07 -0.00 0.07 -0.04 1.67 1.63 2bo9A1 ARG 34 HD2 -0.01 -0.03 -0.03 -0.04 3.22 3.11 2bo9A1 ARG 34 HD3 -0.03 0.05 -0.04 -0.04 3.22 3.16 2bo9A1 ARG 35 H -0.14 0.18 0.14 -0.55 8.46 8.09 2bo9A1 ARG 35 HA -0.17 0.27 0.95 -0.75 4.34 4.64 2bo9A1 ARG 35 HB2 -0.22 0.03 -0.04 -0.04 1.90 1.64 2bo9A1 ARG 35 HB3 -0.22 -0.02 0.09 -0.04 1.80 1.60 2bo9A1 ARG 35 HG2 -0.28 -0.01 -0.18 -0.04 1.67 1.15 2bo9A1 ARG 35 HG3 -0.24 0.03 -0.10 -0.04 1.67 1.32 2bo9A1 ARG 35 HD2 -0.77 -0.06 -0.10 -0.04 3.22 2.25 2bo9A1 ARG 35 HD3 -0.39 -0.02 -0.19 -0.04 3.22 2.58 2bo9A1 VAL 36 H -0.03 0.68 0.35 -0.55 8.24 8.69 2bo9A1 VAL 36 HA 0.06 0.16 0.89 -0.75 4.13 4.50 2bo9A1 VAL 36 HB 0.07 -0.08 0.02 -0.04 2.12 2.09 2bo9A1 VAL 36 HG13 0.23 0.02 -0.19 -0.04 0.97 0.98 2bo9A1 VAL 36 HG23 0.07 0.04 -0.26 -0.04 0.95 0.76 2bo9A1 LYS 37 H 0.11 0.19 0.15 -0.55 8.42 8.32 2bo9A1 LYS 37 HA -0.09 0.20 0.82 -0.75 4.32 4.50 2bo9A1 LYS 37 HB2 0.12 -0.00 0.10 -0.04 1.87 2.04 2bo9A1 LYS 37 HB3 0.03 0.02 0.15 -0.04 1.79 1.95 2bo9A1 LYS 37 HG2 -0.26 -0.07 -0.01 -0.04 1.46 1.07 2bo9A1 LYS 37 HG3 -0.57 -0.01 0.09 -0.04 1.46 0.92 2bo9A1 LYS 37 HD2 -0.01 0.01 -0.02 -0.04 1.69 1.62 2bo9A1 LYS 37 HD3 -0.41 -0.01 -0.01 -0.04 1.68 1.21 2bo9A1 LYS 37 HE2 -0.10 -0.04 -0.01 -0.04 2.99 2.81 2bo9A1 LYS 37 HE3 0.10 0.02 0.00 -0.04 2.99 3.07 2bo9A1 ILE 38 H -0.11 0.56 0.34 -0.55 8.25 8.49 2bo9A1 ILE 38 HA 0.13 0.26 0.92 -0.75 4.18 4.74 2bo9A1 ILE 38 HB 0.11 0.04 0.04 -0.04 1.89 2.04 2bo9A1 ILE 38 HG12 -0.02 0.02 -0.22 -0.04 1.49 1.23 2bo9A1 ILE 38 HG13 0.00 -0.03 -0.39 -0.04 1.21 0.75 2bo9A1 ILE 38 HG23 -0.13 0.03 -0.20 -0.04 0.93 0.59 2bo9A1 ILE 38 HD13 0.18 -0.01 -0.22 -0.04 0.88 0.79 2bo9A1 GLY 39 H -0.18 0.22 0.20 -0.55 8.43 8.13 2bo9A1 GLY 39 HA2 0.02 0.09 0.24 -0.51 4.01 3.85 2bo9A1 GLY 39 HA3 -0.01 0.11 0.60 -0.51 4.01 4.20 2bo9A1 HIS 40 H 0.07 0.31 0.18 -0.55 8.41 8.42 2bo9A1 HIS 40 HA -0.04 0.27 0.80 -0.75 4.63 4.90 2bo9A1 HIS 40 HB2 -0.02 0.00 -0.02 -0.04 3.26 3.17 2bo9A1 HIS 40 HB3 -0.02 0.00 -0.12 -0.04 3.20 3.02 2bo9A1 HIS 40 HD2 -0.03 0.14 -0.46 -0.04 6.97 6.58 2bo9A1 HIS 40 HE1 -0.02 0.02 -0.10 -0.04 7.75 7.61 2bo9A1 SER 41 H 0.09 0.63 0.16 -0.55 8.46 8.79 2bo9A1 SER 41 HA 0.09 0.09 0.57 -0.75 4.49 4.49 2bo9A1 SER 41 HB2 0.13 -0.20 0.21 -0.04 3.95 4.06 2bo9A1 SER 41 HB3 0.10 0.18 0.10 -0.04 3.93 4.27 2bo9A1 PHE 42 H 0.23 0.03 0.20 -0.55 8.34 8.25 2bo9A1 PHE 42 HA 0.02 0.19 0.50 -0.75 4.62 4.58 2bo9A1 PHE 42 HB2 0.02 -0.08 0.20 -0.04 3.15 3.25 2bo9A1 PHE 42 HB3 0.03 -0.11 0.09 -0.04 3.06 3.03 2bo9A1 PHE 42 HD2 0.01 -0.00 -0.07 -0.04 7.28 7.18 2bo9A1 PHE 42 HE2 0.01 0.10 0.05 -0.04 7.38 7.50 2bo9A1 PHE 42 HZ 0.01 0.09 0.09 -0.04 7.32 7.47 2bo9A1 GLU 43 H 0.17 -0.07 -0.17 -0.55 8.60 7.97 2bo9A1 GLU 43 HA -0.10 0.27 0.63 -0.75 4.29 4.34 2bo9A1 GLU 43 HB2 0.10 -0.12 0.05 -0.04 2.09 2.08 2bo9A1 GLU 43 HB3 0.05 0.11 0.15 -0.04 1.99 2.26 2bo9A1 GLU 43 HG2 0.16 0.14 -0.04 -0.04 2.34 2.56 2bo9A1 GLU 43 HG3 0.34 -0.19 -0.09 -0.04 2.34 2.36 2bo9A1 ASN 44 H 0.00 0.44 -0.73 -0.55 8.53 7.69 2bo9A1 ASN 44 HA 0.05 0.10 0.17 -0.75 4.76 4.33 2bo9A1 ASN 44 HB2 -0.08 0.00 -0.22 -0.04 2.88 2.53 2bo9A1 ASN 44 HB3 -0.02 0.00 0.09 -0.04 2.79 2.82 2bo9A1 ASN 44 HD21 -0.16 -0.00 0.01 -0.04 7.03 6.83 2bo9A1 ASN 44 HD22 -0.06 0.01 0.02 -0.04 7.74 7.67 2bo9A1 ARG 45 H 0.10 -0.16 -0.32 -0.55 8.46 7.52 2bo9A1 ARG 45 HA 0.13 0.26 0.75 -0.75 4.34 4.73 2bo9A1 ARG 45 HB2 0.12 -0.22 0.00 -0.04 1.90 1.76 2bo9A1 ARG 45 HB3 0.16 0.15 -0.00 -0.04 1.80 2.07 2bo9A1 ARG 45 HG2 0.10 0.14 -0.07 -0.04 1.67 1.80 2bo9A1 ARG 45 HG3 0.09 -0.09 -0.15 -0.04 1.67 1.48 2bo9A1 ARG 45 HD2 0.10 -0.16 -0.19 -0.04 3.22 2.93 2bo9A1 ARG 45 HD3 0.09 0.04 -0.06 -0.04 3.22 3.25 2bo9A1 PRO 46 HA -0.68 0.19 0.57 -0.51 4.44 4.02 2bo9A1 PRO 46 HB2 -1.13 0.04 -0.09 -0.04 2.28 1.06 2bo9A1 PRO 46 HB3 -0.35 0.06 0.09 -0.04 2.02 1.78 2bo9A1 PRO 46 HG2 0.02 -0.03 0.04 -0.04 2.03 2.02 2bo9A1 PRO 46 HG3 0.09 0.07 0.05 -0.04 2.03 2.20 2bo9A1 PRO 46 HD2 0.17 0.01 0.23 -0.04 3.68 4.04 2bo9A1 PRO 46 HD3 0.13 0.24 0.22 -0.04 3.65 4.19 2bo9A1 MET 47 H -0.48 0.66 0.32 -0.55 8.47 8.43 2bo9A1 MET 47 HA -0.14 0.12 0.81 -0.75 4.52 4.56 2bo9A1 MET 47 HB2 -0.13 -0.07 -0.05 -0.04 2.15 1.86 2bo9A1 MET 47 HB3 -0.03 0.06 -0.09 -0.04 2.03 1.93 2bo9A1 MET 47 HG2 0.03 0.04 -0.11 -0.04 2.63 2.55 2bo9A1 MET 47 HG3 -0.05 -0.03 -0.39 -0.04 2.56 2.05 2bo9A1 MET 47 HE3 0.07 0.04 0.00 -0.04 2.10 2.17 2bo9A1 TYR 48 H -0.14 0.20 0.13 -0.55 8.29 7.93 2bo9A1 TYR 48 HA -0.17 0.31 1.10 -0.75 4.56 5.05 2bo9A1 TYR 48 HB2 -0.47 -0.08 0.02 -0.04 3.06 2.49 2bo9A1 TYR 48 HB3 -0.25 0.11 -0.12 -0.04 2.98 2.68 2bo9A1 TYR 48 HD2 -1.08 0.02 -0.25 -0.04 7.15 5.80 2bo9A1 TYR 48 HE2 -0.24 -0.00 -0.10 -0.04 6.85 6.47 2bo9A1 VAL 49 H 0.01 0.68 0.37 -0.55 8.24 8.74 2bo9A1 VAL 49 HA -0.10 0.26 1.10 -0.75 4.13 4.64 2bo9A1 VAL 49 HB -0.25 0.05 -0.04 -0.04 2.12 1.83 2bo9A1 VAL 49 HG13 -0.18 -0.04 -0.22 -0.04 0.97 0.49 2bo9A1 VAL 49 HG23 -0.07 0.02 -0.15 -0.04 0.95 0.72 2bo9A1 LEU 50 H -0.17 0.53 0.36 -0.55 8.37 8.54 2bo9A1 LEU 50 HA -0.31 0.29 0.95 -0.75 4.35 4.53 2bo9A1 LEU 50 HB2 -0.22 -0.06 0.17 -0.04 1.64 1.49 2bo9A1 LEU 50 HB3 -1.01 0.07 -0.06 -0.04 1.64 0.60 2bo9A1 LEU 50 HG -0.18 -0.07 -0.11 -0.04 1.64 1.24 2bo9A1 LEU 50 HD13 -0.05 -0.01 -0.01 -0.04 0.93 0.82 2bo9A1 LEU 50 HD23 -0.29 0.07 -0.18 -0.04 0.89 0.45 2bo9A1 LYS 51 H -0.38 0.73 0.31 -0.55 8.42 8.52 2bo9A1 LYS 51 HA -0.67 0.22 1.04 -0.75 4.32 4.16 2bo9A1 LYS 51 HB2 -0.25 -0.06 0.02 -0.04 1.87 1.53 2bo9A1 LYS 51 HB3 -0.24 0.01 0.16 -0.04 1.79 1.68 2bo9A1 LYS 51 HG2 -0.35 0.03 -0.40 -0.04 1.46 0.70 2bo9A1 LYS 51 HG3 -1.08 0.02 -0.09 -0.04 1.46 0.27 2bo9A1 LYS 51 HD2 0.22 -0.03 -0.09 -0.04 1.69 1.74 2bo9A1 LYS 51 HD3 -0.01 -0.01 -0.11 -0.04 1.68 1.51 2bo9A1 LYS 51 HE2 -0.04 -0.03 -0.18 -0.04 2.99 2.70 2bo9A1 LYS 51 HE3 0.06 0.01 -0.13 -0.04 2.99 2.90 2bo9A1 PHE 52 H -0.23 0.75 0.39 -0.55 8.34 8.70 2bo9A1 PHE 52 HA -0.19 0.46 1.06 -0.75 4.62 5.19 2bo9A1 PHE 52 HB2 -0.16 -0.12 0.21 -0.04 3.15 3.05 2bo9A1 PHE 52 HB3 -0.18 0.04 0.03 -0.04 3.06 2.91 2bo9A1 PHE 52 HD2 -0.18 0.09 -0.10 -0.04 7.28 7.05 2bo9A1 PHE 52 HE2 -0.18 -0.02 -0.07 -0.04 7.38 7.08 2bo9A1 PHE 52 HZ -0.17 -0.09 -0.01 -0.04 7.32 7.01 2bo9A1 SER 53 H -0.08 0.78 0.36 -0.55 8.46 8.97 2bo9A1 SER 53 HA -0.05 0.18 0.89 -0.75 4.49 4.75 2bo9A1 SER 53 HB2 -0.11 0.04 -0.33 -0.04 3.95 3.51 2bo9A1 SER 53 HB3 -0.08 0.05 -0.11 -0.04 3.93 3.75 2bo9A1 THR 54 H -0.03 0.35 0.15 -0.55 8.28 8.19 2bo9A1 THR 54 HA -0.05 0.25 0.89 -0.75 4.39 4.72 2bo9A1 THR 54 HB 0.04 -0.05 0.20 -0.04 4.32 4.47 2bo9A1 THR 54 HG23 -0.10 -0.01 -0.13 -0.04 1.22 0.95 2bo9A1 GLY 55 H -0.01 0.05 -0.15 -0.55 8.43 7.78 2bo9A1 GLY 55 HA2 0.02 0.19 0.26 -0.51 4.01 3.97 2bo9A1 GLY 55 HA3 0.02 0.10 0.21 -0.51 4.01 3.83 2bo9A1 LYS 55 H -0.00 0.14 -0.36 -0.55 8.42 7.65 2bo9A1 LYS 55 HA 0.00 0.06 0.23 -0.75 4.32 3.86 2bo9A1 LYS 55 HB2 0.01 0.10 -0.02 -0.04 1.87 1.92 2bo9A1 LYS 55 HB3 0.01 -0.04 0.14 -0.04 1.79 1.86 2bo9A1 LYS 55 HG2 0.01 -0.01 -0.02 -0.04 1.46 1.39 2bo9A1 LYS 55 HG3 0.01 0.08 -0.25 -0.04 1.46 1.26 2bo9A1 LYS 55 HD2 0.01 0.02 -0.11 -0.04 1.69 1.58 2bo9A1 LYS 55 HD3 0.01 -0.07 -0.02 -0.04 1.68 1.56 2bo9A1 LYS 55 HE2 0.02 0.23 0.03 -0.04 2.99 3.23 2bo9A1 LYS 55 HE3 0.02 -0.04 0.00 -0.04 2.99 2.93 2bo9A1 GLY 56 H 0.02 0.02 -0.44 -0.55 8.43 7.49 2bo9A1 GLY 56 HA2 0.03 -0.03 0.17 -0.51 4.01 3.68 2bo9A1 GLY 56 HA3 0.02 0.12 0.44 -0.51 4.01 4.08 2bo9A1 VAL 57 H 0.02 0.45 -0.37 -0.55 8.24 7.79 2bo9A1 VAL 57 HA 0.02 -0.01 0.47 -0.75 4.13 3.85 2bo9A1 VAL 57 HB 0.02 0.06 0.05 -0.04 2.12 2.21 2bo9A1 VAL 57 HG13 0.01 0.04 -0.04 -0.04 0.97 0.95 2bo9A1 VAL 57 HG23 0.01 0.01 0.00 -0.04 0.95 0.93 2bo9A1 ARG 58 H -0.00 0.07 0.15 -0.55 8.46 8.12 2bo9A1 ARG 58 HA 0.04 0.01 0.50 -0.75 4.34 4.14 2bo9A1 ARG 58 HB2 -0.09 -0.01 0.13 -0.04 1.90 1.89 2bo9A1 ARG 58 HB3 -0.07 -0.03 0.09 -0.04 1.80 1.74 2bo9A1 ARG 58 HG2 -0.18 0.11 -0.23 -0.04 1.67 1.33 2bo9A1 ARG 58 HG3 -0.52 -0.06 0.03 -0.04 1.67 1.07 2bo9A1 ARG 58 HD2 -0.65 0.04 -0.09 -0.04 3.22 2.49 2bo9A1 ARG 58 HD3 -0.26 0.02 0.04 -0.04 3.22 2.98 2bo9A1 ARG 59 H 0.16 0.12 0.17 -0.55 8.46 8.36 2bo9A1 ARG 59 HA 0.06 0.21 0.88 -0.75 4.34 4.73 2bo9A1 ARG 59 HB2 0.11 -0.15 0.02 -0.04 1.90 1.84 2bo9A1 ARG 59 HB3 0.07 0.18 0.06 -0.04 1.80 2.07 2bo9A1 ARG 59 HG2 0.05 0.08 -0.41 -0.04 1.67 1.35 2bo9A1 ARG 59 HG3 0.05 -0.15 -0.14 -0.04 1.67 1.39 2bo9A1 ARG 59 HD2 0.04 0.16 -0.16 -0.04 3.22 3.22 2bo9A1 ARG 59 HD3 0.04 0.02 0.00 -0.04 3.22 3.24 2bo9A1 PRO 60 HA 0.11 0.29 0.67 -0.51 4.44 5.00 2bo9A1 PRO 60 HB2 0.08 -0.02 0.01 -0.04 2.28 2.30 2bo9A1 PRO 60 HB3 0.08 0.01 0.16 -0.04 2.02 2.23 2bo9A1 PRO 60 HG2 0.06 0.25 0.22 -0.04 2.03 2.51 2bo9A1 PRO 60 HG3 0.05 -0.02 0.15 -0.04 2.03 2.17 2bo9A1 PRO 60 HD2 0.06 0.17 0.34 -0.04 3.68 4.21 2bo9A1 PRO 60 HD3 0.05 0.09 0.21 -0.04 3.65 3.96 2bo9A1 ALA 61 H -0.03 0.32 0.44 -0.55 8.40 8.58 2bo9A1 ALA 61 HA 0.04 0.35 1.10 -0.75 4.34 5.08 2bo9A1 ALA 61 HB3 -0.68 -0.01 -0.11 -0.04 1.41 0.56 2bo9A1 VAL 62 H 0.20 0.69 0.39 -0.55 8.24 8.98 2bo9A1 VAL 62 HA 0.44 0.12 1.03 -0.75 4.13 4.96 2bo9A1 VAL 62 HB 0.19 0.03 0.11 -0.04 2.12 2.40 2bo9A1 VAL 62 HG13 0.23 -0.04 -0.29 -0.04 0.97 0.84 2bo9A1 VAL 62 HG23 0.18 0.00 -0.15 -0.04 0.95 0.95 2bo9A1 TRP 63 H 0.65 0.62 0.28 -0.55 7.97 8.97 2bo9A1 TRP 63 HA 0.32 0.24 0.94 -0.75 4.62 5.37 2bo9A1 TRP 63 HB2 -0.07 0.03 0.07 -0.04 3.23 3.22 2bo9A1 TRP 63 HB3 -0.14 -0.08 0.24 -0.04 3.23 3.21 2bo9A1 TRP 63 HD1 -0.93 -0.10 -0.33 -0.04 7.22 5.81 2bo9A1 TRP 63 HE1 -0.04 -0.11 -0.12 -0.04 10.20 9.89 2bo9A1 TRP 63 HE3 -0.26 0.03 -0.08 -0.04 7.59 7.24 2bo9A1 TRP 63 HZ2 -0.02 -0.05 -0.09 -0.04 7.44 7.24 2bo9A1 TRP 63 HZ3 -0.66 0.05 -0.11 -0.04 7.13 6.36 2bo9A1 TRP 63 HH2 -0.32 0.01 -0.11 -0.04 7.19 6.72 2bo9A1 LEU 64 H -0.42 0.87 0.41 -0.55 8.37 8.69 2bo9A1 LEU 64 HA -0.02 0.19 1.00 -0.75 4.35 4.76 2bo9A1 LEU 64 HB2 -0.10 -0.05 0.20 -0.04 1.64 1.65 2bo9A1 LEU 64 HB3 -0.01 -0.01 0.02 -0.04 1.64 1.59 2bo9A1 LEU 64 HG 0.06 0.05 -0.23 -0.04 1.64 1.47 2bo9A1 LEU 64 HD13 0.09 -0.00 -0.11 -0.04 0.93 0.87 2bo9A1 LEU 64 HD23 0.09 0.02 -0.13 -0.04 0.89 0.84 2bo9A1 ASN 65 H -0.01 0.78 0.41 -0.55 8.53 9.16 2bo9A1 ASN 65 HA 0.09 0.12 0.81 -0.75 4.76 5.02 2bo9A1 ASN 65 HB2 0.10 0.04 -0.00 -0.04 2.88 2.98 2bo9A1 ASN 65 HB3 0.16 -0.15 0.13 -0.04 2.79 2.89 2bo9A1 ASN 65 HD21 0.39 -0.01 -0.07 -0.04 7.03 7.30 2bo9A1 ASN 65 HD22 0.27 -0.09 -0.11 -0.04 7.74 7.77 2bo9A1 ALA 66 H 0.07 0.56 0.31 -0.55 8.40 8.80 2bo9A1 ALA 66 HA 0.03 0.15 0.72 -0.75 4.34 4.49 2bo9A1 ALA 66 HB3 0.04 0.01 -0.03 -0.04 1.41 1.39 2bo9A1 GLY 67 H 0.02 0.30 0.20 -0.55 8.43 8.40 2bo9A1 GLY 67 HA2 0.09 0.15 0.30 -0.51 4.01 4.03 2bo9A1 GLY 67 HA3 0.03 0.11 0.30 -0.51 4.01 3.94 2bo9A1 ILE 68 H -0.06 0.14 -0.28 -0.55 8.25 7.50 2bo9A1 ILE 68 HA 0.09 0.05 0.42 -0.75 4.18 3.98 2bo9A1 ILE 68 HB 0.08 0.02 -0.05 -0.04 1.89 1.90 2bo9A1 ILE 68 HG12 0.11 -0.04 -0.04 -0.04 1.49 1.47 2bo9A1 ILE 68 HG13 0.18 0.07 -0.08 -0.04 1.21 1.34 2bo9A1 ILE 68 HG23 -0.36 -0.00 -0.16 -0.04 0.93 0.37 2bo9A1 ILE 68 HD13 0.43 0.00 -0.17 -0.04 0.88 1.10 2bo9A1 HIS 69 H -0.01 0.04 -0.16 -0.55 8.41 7.74 2bo9A1 HIS 69 HA 0.12 0.44 0.92 -0.75 4.63 5.36 2bo9A1 HIS 69 HB2 0.17 -0.08 0.19 -0.04 3.26 3.51 2bo9A1 HIS 69 HB3 0.10 0.02 0.08 -0.04 3.20 3.35 2bo9A1 HIS 69 HD2 0.10 0.24 0.01 -0.04 6.97 7.29 2bo9A1 HIS 69 HE1 0.26 0.05 -0.06 -0.04 7.75 7.96 2bo9A1 SER 70 H 0.27 0.39 0.08 -0.55 8.46 8.66 2bo9A1 SER 70 HA 0.36 0.02 -0.01 -0.75 4.49 4.11 2bo9A1 SER 70 HB2 0.46 0.10 -0.47 -0.04 3.95 3.99 2bo9A1 SER 70 HB3 0.38 -0.11 -0.24 -0.04 3.93 3.92 2bo9A1 ARG 71 H 0.12 0.16 -0.06 -0.55 8.46 8.13 2bo9A1 ARG 71 HA 0.06 0.17 0.46 -0.75 4.34 4.27 2bo9A1 ARG 71 HB2 -0.41 -0.02 0.19 -0.04 1.90 1.62 2bo9A1 ARG 71 HB3 -0.14 0.10 -0.08 -0.04 1.80 1.64 2bo9A1 ARG 71 HG2 -0.23 -0.10 -0.10 -0.04 1.67 1.21 2bo9A1 ARG 71 HG3 -0.74 -0.05 -0.22 -0.04 1.67 0.61 2bo9A1 ARG 71 HD2 -1.15 -0.07 -0.03 -0.04 3.22 1.93 2bo9A1 ARG 71 HD3 -0.40 0.25 -0.34 -0.04 3.22 2.69 2bo9A1 GLU 72 H 0.28 0.43 -0.45 -0.55 8.60 8.32 2bo9A1 GLU 72 HA 0.41 0.12 0.54 -0.75 4.29 4.61 2bo9A1 GLU 72 HB2 0.29 0.11 0.26 -0.04 2.09 2.72 2bo9A1 GLU 72 HB3 0.34 -0.14 0.19 -0.04 1.99 2.33 2bo9A1 GLU 72 HG2 0.60 0.15 0.02 -0.04 2.34 3.06 2bo9A1 GLU 72 HG3 0.26 -0.05 -0.07 -0.04 2.34 2.44 2bo9A1 TRP 73 H 0.38 0.63 0.03 -0.55 7.97 8.45 2bo9A1 TRP 73 HA 0.22 0.03 0.25 -0.75 4.62 4.37 2bo9A1 TRP 73 HB2 -0.16 0.12 0.18 -0.04 3.23 3.32 2bo9A1 TRP 73 HB3 -0.34 -0.06 0.01 -0.04 3.23 2.80 2bo9A1 TRP 73 HD1 0.22 0.11 -0.02 -0.04 7.22 7.50 2bo9A1 TRP 73 HE1 -0.02 0.01 -0.01 -0.04 10.20 10.13 2bo9A1 TRP 73 HE3 -1.27 -0.04 0.00 -0.04 7.59 6.25 2bo9A1 TRP 73 HZ2 -0.17 0.12 -0.24 -0.04 7.44 7.12 2bo9A1 TRP 73 HZ3 -0.20 -0.04 -0.01 -0.04 7.13 6.84 2bo9A1 TRP 73 HH2 -0.12 0.01 -0.01 -0.04 7.19 7.03 2bo9A1 ILE 74 H 0.38 0.18 -0.24 -0.55 8.25 8.02 2bo9A1 ILE 74 HA 0.41 0.07 0.43 -0.75 4.18 4.33 2bo9A1 ILE 74 HB 0.29 0.05 0.04 -0.04 1.89 2.22 2bo9A1 ILE 74 HG12 0.15 -0.00 -0.03 -0.04 1.49 1.56 2bo9A1 ILE 74 HG13 0.15 -0.03 -0.05 -0.04 1.21 1.24 2bo9A1 ILE 74 HG23 0.24 0.04 -0.11 -0.04 0.93 1.06 2bo9A1 ILE 74 HD13 0.13 0.02 -0.02 -0.04 0.88 0.96 2bo9A1 SER 75 H 0.27 0.62 -0.20 -0.55 8.46 8.60 2bo9A1 SER 75 HA 0.15 0.08 0.48 -0.75 4.49 4.44 2bo9A1 SER 75 HB2 0.11 0.02 0.08 -0.04 3.95 4.11 2bo9A1 SER 75 HB3 0.18 -0.02 -0.11 -0.04 3.93 3.94 2bo9A1 GLN 76 H 0.15 0.24 -0.02 -0.55 8.47 8.30 2bo9A1 GLN 76 HA 0.03 0.21 0.50 -0.75 4.36 4.34 2bo9A1 GLN 76 HB2 -0.07 0.06 0.10 -0.04 2.15 2.19 2bo9A1 GLN 76 HB3 -0.18 -0.04 -0.03 -0.04 2.02 1.72 2bo9A1 GLN 76 HG2 -0.60 -0.06 0.02 -0.04 2.40 1.72 2bo9A1 GLN 76 HG3 -0.10 0.15 0.08 -0.04 2.39 2.48 2bo9A1 GLN 76 HE21 0.33 0.21 -0.07 -0.04 6.97 7.40 2bo9A1 GLN 76 HE22 -0.02 -0.06 0.00 -0.04 7.69 7.57 2bo9A1 ALA 77 H 0.22 0.50 -0.15 -0.55 8.40 8.43 2bo9A1 ALA 77 HA 0.19 0.03 0.49 -0.75 4.34 4.30 2bo9A1 ALA 77 HB3 0.19 0.02 0.06 -0.04 1.41 1.63 2bo9A1 THR 78 H 0.14 0.52 -0.21 -0.55 8.28 8.18 2bo9A1 THR 78 HA 0.08 0.03 0.52 -0.75 4.39 4.27 2bo9A1 THR 78 HB 0.09 0.10 0.21 -0.04 4.32 4.68 2bo9A1 THR 78 HG23 0.02 -0.03 -0.07 -0.04 1.22 1.10 2bo9A1 ALA 79 H 0.11 0.50 -0.20 -0.55 8.40 8.27 2bo9A1 ALA 79 HA 0.08 0.01 0.29 -0.75 4.34 3.97 2bo9A1 ALA 79 HB3 0.05 0.02 0.08 -0.04 1.41 1.52 2bo9A1 ILE 80 H 0.16 0.55 -0.11 -0.55 8.25 8.30 2bo9A1 ILE 80 HA 0.08 0.02 0.30 -0.75 4.18 3.83 2bo9A1 ILE 80 HB 0.12 -0.01 0.07 -0.04 1.89 2.02 2bo9A1 ILE 80 HG12 -0.10 -0.03 -0.03 -0.04 1.49 1.28 2bo9A1 ILE 80 HG13 0.03 0.00 -0.10 -0.04 1.21 1.10 2bo9A1 ILE 80 HG23 0.33 0.03 0.04 -0.04 0.93 1.28 2bo9A1 ILE 80 HD13 -0.06 -0.01 -0.05 -0.04 0.88 0.72 2bo9A1 TRP 81 H 0.41 0.49 -0.22 -0.55 7.97 8.10 2bo9A1 TRP 81 HA 0.02 -0.01 0.47 -0.75 4.62 4.34 2bo9A1 TRP 81 HB2 0.16 0.08 0.13 -0.04 3.23 3.56 2bo9A1 TRP 81 HB3 0.00 0.13 0.15 -0.04 3.23 3.47 2bo9A1 TRP 81 HD1 -0.02 -0.02 -0.02 -0.04 7.22 7.11 2bo9A1 TRP 81 HE1 -0.12 -0.02 -0.05 -0.04 10.20 9.97 2bo9A1 TRP 81 HE3 -0.23 0.12 -0.35 -0.04 7.59 7.09 2bo9A1 TRP 81 HZ2 -0.13 0.01 -0.07 -0.04 7.44 7.22 2bo9A1 TRP 81 HZ3 -0.45 0.00 -0.10 -0.04 7.13 6.54 2bo9A1 TRP 81 HH2 -0.19 0.02 -0.07 -0.04 7.19 6.91 2bo9A1 THR 82 H 0.24 0.59 -0.20 -0.55 8.28 8.36 2bo9A1 THR 82 HA -0.43 -0.02 0.39 -0.75 4.39 3.58 2bo9A1 THR 82 HB 0.00 0.16 0.13 -0.04 4.32 4.57 2bo9A1 THR 82 HG23 -0.21 -0.03 -0.10 -0.04 1.22 0.85 2bo9A1 ALA 83 H -0.08 0.46 -0.20 -0.55 8.40 8.04 2bo9A1 ALA 83 HA -0.20 0.02 0.41 -0.75 4.34 3.80 2bo9A1 ALA 83 HB3 0.07 0.04 0.07 -0.04 1.41 1.54 2bo9A1 ARG 84 H -0.28 0.44 -0.16 -0.55 8.46 7.90 2bo9A1 ARG 84 HA -0.36 0.03 0.44 -0.75 4.34 3.71 2bo9A1 ARG 84 HB2 -0.33 -0.02 0.09 -0.04 1.90 1.60 2bo9A1 ARG 84 HB3 -0.91 0.13 0.16 -0.04 1.80 1.14 2bo9A1 ARG 84 HG2 -0.95 -0.05 -0.01 -0.04 1.67 0.61 2bo9A1 ARG 84 HG3 -0.71 0.00 -0.18 -0.04 1.67 0.75 2bo9A1 ARG 84 HD2 -0.24 0.00 -0.01 -0.04 3.22 2.94 2bo9A1 ARG 84 HD3 -0.33 -0.01 0.09 -0.04 3.22 2.93 2bo9A1 LYS 85 H -0.98 0.54 -0.17 -0.55 8.42 7.25 2bo9A1 LYS 85 HA -0.87 0.00 0.36 -0.75 4.32 3.06 2bo9A1 LYS 85 HB2 -2.26 0.02 0.05 -0.04 1.87 -0.35 2bo9A1 LYS 85 HB3 -1.48 0.11 0.13 -0.04 1.79 0.51 2bo9A1 LYS 85 HG2 -1.62 -0.03 -0.05 -0.04 1.46 -0.28 2bo9A1 LYS 85 HG3 -1.00 -0.03 -0.16 -0.04 1.46 0.23 2bo9A1 LYS 85 HD2 -0.49 -0.01 0.03 -0.04 1.69 1.17 2bo9A1 LYS 85 HD3 -0.91 -0.00 -0.02 -0.04 1.68 0.71 2bo9A1 LYS 85 HE2 0.18 0.00 -0.03 -0.04 2.99 3.10 2bo9A1 LYS 85 HE3 0.08 -0.03 -0.04 -0.04 2.99 2.96 2bo9A1 ILE 86 H -0.75 0.57 -0.19 -0.55 8.25 7.33 2bo9A1 ILE 86 HA -0.34 -0.05 0.32 -0.75 4.18 3.36 2bo9A1 ILE 86 HB -0.92 0.14 0.15 -0.04 1.89 1.22 2bo9A1 ILE 86 HG12 -0.19 -0.07 -0.02 -0.04 1.49 1.17 2bo9A1 ILE 86 HG13 -0.82 0.07 0.03 -0.04 1.21 0.45 2bo9A1 ILE 86 HG23 -0.60 -0.01 -0.15 -0.04 0.93 0.13 2bo9A1 ILE 86 HD13 -0.70 -0.02 -0.10 -0.04 0.88 0.02 2bo9A1 VAL 87 H -0.46 0.45 -0.10 -0.55 8.24 7.58 2bo9A1 VAL 87 HA -0.35 0.05 0.37 -0.75 4.13 3.45 2bo9A1 VAL 87 HB -1.79 0.01 0.06 -0.04 2.12 0.36 2bo9A1 VAL 87 HG13 -0.11 0.02 -0.01 -0.04 0.97 0.83 2bo9A1 VAL 87 HG23 -0.62 0.02 0.02 -0.04 0.95 0.34 2bo9A1 SER 88 H -0.47 0.44 -0.29 -0.55 8.46 7.59 2bo9A1 SER 88 HA -0.24 0.05 0.48 -0.75 4.49 4.03 2bo9A1 SER 88 HB2 -0.38 0.04 0.11 -0.04 3.95 3.68 2bo9A1 SER 88 HB3 -0.22 -0.09 0.03 -0.04 3.93 3.60 2bo9A1 ASP 89 H -0.22 0.40 -0.24 -0.55 8.40 7.80 2bo9A1 ASP 89 HA -0.07 0.15 0.68 -0.75 4.63 4.64 2bo9A1 ASP 89 HB2 -0.08 0.24 0.10 -0.04 2.71 2.92 2bo9A1 ASP 89 HB3 0.03 -0.24 0.09 -0.04 2.70 2.54 2bo9A1 TYR 90 H -0.00 0.42 -0.10 -0.55 8.29 8.06 2bo9A1 TYR 90 HA -0.04 -0.10 0.41 -0.75 4.56 4.09 2bo9A1 TYR 90 HB2 -0.09 0.05 0.06 -0.04 3.06 3.05 2bo9A1 TYR 90 HB3 -0.08 0.09 0.08 -0.04 2.98 3.04 2bo9A1 TYR 90 HD2 -0.00 -0.01 -0.11 -0.04 7.15 6.99 2bo9A1 TYR 90 HE2 0.01 0.04 -0.04 -0.04 6.85 6.82 2bo9A1 GLN 91 H -0.56 0.07 0.15 -0.55 8.47 7.58 2bo9A1 GLN 91 HA -0.35 -0.03 0.24 -0.75 4.36 3.46 2bo9A1 GLN 91 HB2 -0.29 0.24 -0.05 -0.04 2.15 2.02 2bo9A1 GLN 91 HB3 -0.20 -0.03 0.17 -0.04 2.02 1.93 2bo9A1 GLN 91 HG2 -0.52 -0.03 0.03 -0.04 2.40 1.84 2bo9A1 GLN 91 HG3 -1.52 -0.02 -0.15 -0.04 2.39 0.67 2bo9A1 GLN 91 HE21 -0.03 -0.01 -0.00 -0.04 6.97 6.88 2bo9A1 GLN 91 HE22 -0.12 -0.01 -0.00 -0.04 7.69 7.51 2bo9A1 ARG 92 H -0.11 0.45 -0.42 -0.55 8.46 7.82 2bo9A1 ARG 92 HA -0.06 0.16 0.80 -0.75 4.34 4.48 2bo9A1 ARG 92 HB2 -0.04 -0.02 0.09 -0.04 1.90 1.89 2bo9A1 ARG 92 HB3 -0.03 -0.09 0.02 -0.04 1.80 1.66 2bo9A1 ARG 92 HG2 -0.04 -0.04 -0.08 -0.04 1.67 1.47 2bo9A1 ARG 92 HG3 -0.06 0.08 -0.50 -0.04 1.67 1.15 2bo9A1 ARG 92 HD2 -0.02 0.00 -0.02 -0.04 3.22 3.15 2bo9A1 ARG 92 HD3 -0.05 0.29 0.15 -0.04 3.22 3.57 2bo9A1 ASP 93 H -0.03 0.62 0.25 -0.55 8.40 8.69 2bo9A1 ASP 93 HA -0.00 0.20 0.76 -0.75 4.63 4.83 2bo9A1 ASP 93 HB2 0.05 0.08 0.11 -0.04 2.71 2.91 2bo9A1 ASP 93 HB3 0.05 0.06 0.18 -0.04 2.70 2.95 2bo9A1 PRO 94 HA -0.04 0.09 0.32 -0.51 4.44 4.30 2bo9A1 PRO 94 HB2 -0.02 0.01 0.00 -0.04 2.28 2.23 2bo9A1 PRO 94 HB3 -0.03 0.06 0.06 -0.04 2.02 2.08 2bo9A1 PRO 94 HG2 -0.02 0.04 0.08 -0.04 2.03 2.08 2bo9A1 PRO 94 HG3 -0.03 0.12 0.05 -0.04 2.03 2.13 2bo9A1 PRO 94 HD2 -0.01 0.02 0.22 -0.04 3.68 3.87 2bo9A1 PRO 94 HD3 -0.02 0.39 0.35 -0.04 3.65 4.33 2bo9A1 ALA 95 H -0.02 0.11 -0.25 -0.55 8.40 7.70 2bo9A1 ALA 95 HA -0.04 0.13 0.34 -0.75 4.34 4.01 2bo9A1 ALA 95 HB3 -0.08 0.01 0.03 -0.04 1.41 1.33 2bo9A1 ILE 96 H 0.03 0.11 -0.10 -0.55 8.25 7.73 2bo9A1 ILE 96 HA 0.02 0.07 0.37 -0.75 4.18 3.89 2bo9A1 ILE 96 HB 0.25 -0.03 0.03 -0.04 1.89 2.10 2bo9A1 ILE 96 HG12 0.29 0.02 -0.04 -0.04 1.49 1.72 2bo9A1 ILE 96 HG13 0.13 0.04 -0.07 -0.04 1.21 1.27 2bo9A1 ILE 96 HG23 0.13 0.01 -0.15 -0.04 0.93 0.88 2bo9A1 ILE 96 HD13 0.14 -0.01 -0.02 -0.04 0.88 0.96 2bo9A1 THR 97 H 0.02 0.38 -0.39 -0.55 8.28 7.75 2bo9A1 THR 97 HA 0.20 0.03 0.42 -0.75 4.39 4.28 2bo9A1 THR 97 HB -0.05 0.10 0.08 -0.04 4.32 4.40 2bo9A1 THR 97 HG23 -0.22 0.01 -0.05 -0.04 1.22 0.92 2bo9A1 SER 98 H 0.01 0.59 -0.09 -0.55 8.46 8.43 2bo9A1 SER 98 HA 0.02 0.03 0.41 -0.75 4.49 4.19 2bo9A1 SER 98 HB2 -0.01 -0.02 0.12 -0.04 3.95 4.00 2bo9A1 SER 98 HB3 -0.01 0.00 0.16 -0.04 3.93 4.04 2bo9A1 ILE 99 H 0.01 0.45 -0.19 -0.55 8.25 7.97 2bo9A1 ILE 99 HA 0.00 0.04 0.41 -0.75 4.18 3.88 2bo9A1 ILE 99 HB 0.01 0.07 0.12 -0.04 1.89 2.05 2bo9A1 ILE 99 HG12 -0.04 0.03 -0.25 -0.04 1.49 1.19 2bo9A1 ILE 99 HG13 -0.04 0.07 -0.03 -0.04 1.21 1.17 2bo9A1 ILE 99 HG23 0.01 -0.01 -0.20 -0.04 0.93 0.69 2bo9A1 ILE 99 HD13 -0.12 -0.04 -0.18 -0.04 0.88 0.50 2bo9A1 LEU 100 H 0.09 0.52 -0.14 -0.55 8.37 8.30 2bo9A1 LEU 100 HA 0.03 0.28 0.41 -0.75 4.35 4.31 2bo9A1 LEU 100 HB2 0.16 0.07 0.11 -0.04 1.64 1.94 2bo9A1 LEU 100 HB3 -0.07 -0.07 0.00 -0.04 1.64 1.47 2bo9A1 LEU 100 HG 0.03 -0.05 -0.02 -0.04 1.64 1.55 2bo9A1 LEU 100 HD13 -0.09 -0.03 -0.08 -0.04 0.93 0.69 2bo9A1 LEU 100 HD23 -0.01 0.03 -0.08 -0.04 0.89 0.79 2bo9A1 GLU 101 H 0.09 0.32 -0.39 -0.55 8.60 8.07 2bo9A1 GLU 101 HA 0.08 0.01 0.54 -0.75 4.29 4.17 2bo9A1 GLU 101 HB2 0.05 0.11 0.15 -0.04 2.09 2.36 2bo9A1 GLU 101 HB3 0.04 -0.06 0.05 -0.04 1.99 1.98 2bo9A1 GLU 101 HG2 0.10 -0.04 0.04 -0.04 2.34 2.40 2bo9A1 GLU 101 HG3 0.15 0.14 0.04 -0.04 2.34 2.63 2bo9A1 LYS 102 H 0.04 0.33 -0.32 -0.55 8.42 7.91 2bo9A1 LYS 102 HA 0.03 0.14 0.83 -0.75 4.32 4.56 2bo9A1 LYS 102 HB2 0.02 0.07 0.10 -0.04 1.87 2.02 2bo9A1 LYS 102 HB3 0.02 -0.05 0.07 -0.04 1.79 1.78 2bo9A1 LYS 102 HG2 0.02 -0.02 -0.18 -0.04 1.46 1.24 2bo9A1 LYS 102 HG3 0.01 0.08 -0.00 -0.04 1.46 1.51 2bo9A1 LYS 102 HD2 0.00 0.11 0.04 -0.04 1.69 1.81 2bo9A1 LYS 102 HD3 0.01 -0.04 0.04 -0.04 1.68 1.66 2bo9A1 LYS 102 HE2 0.00 -0.02 -0.02 -0.04 2.99 2.91 2bo9A1 LYS 102 HE3 0.00 -0.03 0.01 -0.04 2.99 2.93 2bo9A1 MET 103 H 0.04 0.40 0.16 -0.55 8.47 8.51 2bo9A1 MET 103 HA 0.05 0.24 0.94 -0.75 4.52 5.00 2bo9A1 MET 103 HB2 0.07 0.00 -0.09 -0.04 2.15 2.09 2bo9A1 MET 103 HB3 0.05 0.00 -0.26 -0.04 2.03 1.78 2bo9A1 MET 103 HG2 0.04 0.18 -0.12 -0.04 2.63 2.69 2bo9A1 MET 103 HG3 0.06 0.00 -0.42 -0.04 2.56 2.16 2bo9A1 MET 103 HE3 0.02 0.04 -0.10 -0.04 2.10 2.01 2bo9A1 ASP 104 H 0.08 0.54 0.27 -0.55 8.40 8.73 2bo9A1 ASP 104 HA -0.01 0.27 1.03 -0.75 4.63 5.17 2bo9A1 ASP 104 HB2 0.18 -0.01 0.04 -0.04 2.71 2.88 2bo9A1 ASP 104 HB3 -0.19 -0.02 -0.02 -0.04 2.70 2.43 2bo9A1 ILE 105 H -0.02 0.59 0.37 -0.55 8.25 8.64 2bo9A1 ILE 105 HA 0.16 0.19 1.03 -0.75 4.18 4.81 2bo9A1 ILE 105 HB 0.13 -0.02 0.13 -0.04 1.89 2.09 2bo9A1 ILE 105 HG12 0.09 -0.01 -0.09 -0.04 1.49 1.44 2bo9A1 ILE 105 HG13 0.06 0.07 -0.37 -0.04 1.21 0.92 2bo9A1 ILE 105 HG23 0.10 -0.02 -0.21 -0.04 0.93 0.76 2bo9A1 ILE 105 HD13 0.02 -0.01 -0.10 -0.04 0.88 0.75 2bo9A1 PHE 106 H 0.35 0.72 0.37 -0.55 8.34 9.23 2bo9A1 PHE 106 HA -0.11 0.31 1.10 -0.75 4.62 5.17 2bo9A1 PHE 106 HB2 0.16 -0.05 0.13 -0.04 3.15 3.36 2bo9A1 PHE 106 HB3 -0.53 -0.04 -0.04 -0.04 3.06 2.42 2bo9A1 PHE 106 HD2 0.06 -0.01 -0.18 -0.04 7.28 7.11 2bo9A1 PHE 106 HE2 0.22 0.03 -0.13 -0.04 7.38 7.46 2bo9A1 PHE 106 HZ 0.34 0.04 -0.10 -0.04 7.32 7.57 2bo9A1 LEU 107 H -0.17 0.72 0.33 -0.55 8.37 8.70 2bo9A1 LEU 107 HA -0.30 0.23 1.03 -0.75 4.35 4.56 2bo9A1 LEU 107 HB2 0.08 0.02 -0.07 -0.04 1.64 1.63 2bo9A1 LEU 107 HB3 0.11 0.03 0.19 -0.04 1.64 1.92 2bo9A1 LEU 107 HG -0.03 -0.07 -0.34 -0.04 1.64 1.16 2bo9A1 LEU 107 HD13 -0.02 0.02 -0.09 -0.04 0.93 0.79 2bo9A1 LEU 107 HD23 0.08 0.05 -0.07 -0.04 0.89 0.91 2bo9A1 LEU 108 H -0.35 0.76 0.31 -0.55 8.37 8.55 2bo9A1 LEU 108 HA -0.10 0.28 0.97 -0.75 4.35 4.75 2bo9A1 LEU 108 HB2 -0.12 0.04 -0.05 -0.04 1.64 1.47 2bo9A1 LEU 108 HB3 0.01 -0.06 0.23 -0.04 1.64 1.79 2bo9A1 LEU 108 HG 0.14 -0.12 -0.24 -0.04 1.64 1.38 2bo9A1 LEU 108 HD13 0.08 0.04 -0.17 -0.04 0.93 0.84 2bo9A1 LEU 108 HD23 0.42 -0.00 -0.05 -0.04 0.89 1.22 2bo9A1 PRO 109 HA 0.02 0.05 0.43 -0.51 4.44 4.43 2bo9A1 PRO 109 HB2 0.06 -0.00 -0.05 -0.04 2.28 2.24 2bo9A1 PRO 109 HB3 0.04 0.02 0.00 -0.04 2.02 2.04 2bo9A1 PRO 109 HG2 0.03 0.06 -0.06 -0.04 2.03 2.01 2bo9A1 PRO 109 HG3 0.02 0.04 -0.18 -0.04 2.03 1.87 2bo9A1 PRO 109 HD2 0.03 0.20 0.18 -0.04 3.68 4.05 2bo9A1 PRO 109 HD3 -0.05 0.37 -0.10 -0.04 3.65 3.83 2bo9A1 VAL 110 H 0.08 0.21 -0.25 -0.55 8.24 7.73 2bo9A1 VAL 110 HA -0.03 0.18 0.82 -0.75 4.13 4.34 2bo9A1 VAL 110 HB 0.13 0.00 0.11 -0.04 2.12 2.33 2bo9A1 VAL 110 HG13 -0.08 -0.04 -0.19 -0.04 0.97 0.62 2bo9A1 VAL 110 HG23 -0.17 0.01 -0.21 -0.04 0.95 0.55 2bo9A1 ALA 111 H 0.08 0.56 -0.04 -0.55 8.40 8.45 2bo9A1 ALA 111 HA 0.14 0.08 0.31 -0.75 4.34 4.12 2bo9A1 ALA 111 HB3 0.17 -0.03 -0.09 -0.04 1.41 1.42 2bo9A1 ASN 112 H 0.11 0.20 -0.46 -0.55 8.53 7.84 2bo9A1 ASN 112 HA 0.13 0.04 0.78 -0.75 4.76 4.96 2bo9A1 ASN 112 HB2 0.14 0.11 0.01 -0.04 2.88 3.10 2bo9A1 ASN 112 HB3 0.18 0.18 0.07 -0.04 2.79 3.18 2bo9A1 ASN 112 HD21 0.28 0.42 -0.21 -0.04 7.03 7.47 2bo9A1 ASN 112 HD22 0.23 0.32 0.07 -0.04 7.74 8.32 2bo9A1 PRO 113 HA 0.16 0.10 0.40 -0.51 4.44 4.59 2bo9A1 PRO 113 HB2 0.14 -0.01 -0.05 -0.04 2.28 2.32 2bo9A1 PRO 113 HB3 0.17 0.12 0.08 -0.04 2.02 2.35 2bo9A1 PRO 113 HG2 0.12 -0.10 0.01 -0.04 2.03 2.02 2bo9A1 PRO 113 HG3 0.16 0.23 -0.02 -0.04 2.03 2.36 2bo9A1 PRO 113 HD2 0.12 -0.00 0.09 -0.04 3.68 3.85 2bo9A1 PRO 113 HD3 0.13 0.39 -0.31 -0.04 3.65 3.81 2bo9A1 ASP 114 H 0.15 0.08 -0.09 -0.55 8.40 7.99 2bo9A1 ASP 114 HA 0.12 0.14 0.40 -0.75 4.63 4.54 2bo9A1 ASP 114 HB2 0.13 -0.10 0.10 -0.04 2.71 2.81 2bo9A1 ASP 114 HB3 0.09 0.14 0.01 -0.04 2.70 2.90 2bo9A1 GLY 115 H 0.21 0.04 -0.17 -0.55 8.43 7.97 2bo9A1 GLY 115 HA2 0.24 0.08 0.43 -0.51 4.01 4.25 2bo9A1 GLY 115 HA3 0.40 0.19 0.23 -0.51 4.01 4.32 2bo9A1 TYR 116 H 0.32 0.36 -0.26 -0.55 8.29 8.16 2bo9A1 TYR 116 HA 0.22 0.12 0.39 -0.75 4.56 4.54 2bo9A1 TYR 116 HB2 0.11 0.08 0.10 -0.04 3.06 3.30 2bo9A1 TYR 116 HB3 0.04 0.00 0.15 -0.04 2.98 3.14 2bo9A1 TYR 116 HD2 0.03 0.02 0.01 -0.04 7.15 7.17 2bo9A1 TYR 116 HE2 -0.45 0.00 -0.10 -0.04 6.85 6.26 2bo9A1 VAL 117 H 0.16 0.56 -0.00 -0.55 8.24 8.41 2bo9A1 VAL 117 HA -0.07 -0.03 0.48 -0.75 4.13 3.76 2bo9A1 VAL 117 HB 0.08 0.10 0.17 -0.04 2.12 2.43 2bo9A1 VAL 117 HG13 0.02 -0.00 -0.06 -0.04 0.97 0.88 2bo9A1 VAL 117 HG23 0.05 0.01 0.10 -0.04 0.95 1.06 2bo9A1 TYR 118 H 0.19 0.44 -0.34 -0.55 8.29 8.03 2bo9A1 TYR 118 HA -0.08 -0.02 0.35 -0.75 4.56 4.06 2bo9A1 TYR 118 HB2 -0.16 0.10 0.15 -0.04 3.06 3.10 2bo9A1 TYR 118 HB3 -0.10 0.15 0.14 -0.04 2.98 3.13 2bo9A1 TYR 118 HD2 -0.22 0.04 -0.03 -0.04 7.15 6.90 2bo9A1 TYR 118 HE2 -0.28 0.02 -0.03 -0.04 6.85 6.51 2bo9A1 THR 119 H 0.22 0.58 -0.15 -0.55 8.28 8.38 2bo9A1 THR 119 HA 0.14 0.20 0.22 -0.75 4.39 4.19 2bo9A1 THR 119 HB 0.30 -0.01 0.13 -0.04 4.32 4.70 2bo9A1 THR 119 HG23 0.37 0.01 -0.14 -0.04 1.22 1.43 2bo9A1 GLN 120 H -0.02 0.39 -0.43 -0.55 8.47 7.87 2bo9A1 GLN 120 HA 0.16 0.16 0.81 -0.75 4.36 4.74 2bo9A1 GLN 120 HB2 -0.16 0.01 0.10 -0.04 2.15 2.07 2bo9A1 GLN 120 HB3 -0.11 -0.06 0.13 -0.04 2.02 1.93 2bo9A1 GLN 120 HG2 -0.14 0.04 -0.13 -0.04 2.40 2.13 2bo9A1 GLN 120 HG3 -0.55 0.20 -0.05 -0.04 2.39 1.94 2bo9A1 GLN 120 HE21 -0.68 0.23 -0.22 -0.04 6.97 6.26 2bo9A1 GLN 120 HE22 -1.79 0.01 -0.09 -0.04 7.69 5.78 2bo9A1 THR 121 H -0.09 0.16 -0.24 -0.55 8.28 7.55 2bo9A1 THR 121 HA -0.07 0.19 0.96 -0.75 4.39 4.72 2bo9A1 THR 121 HB -0.09 -0.03 0.00 -0.04 4.32 4.16 2bo9A1 THR 121 HG23 -0.05 -0.01 -0.14 -0.04 1.22 0.98 2bo9A1 GLN 122 H -0.35 0.53 0.27 -0.55 8.47 8.37 2bo9A1 GLN 122 HA -0.25 0.24 0.90 -0.75 4.36 4.50 2bo9A1 GLN 122 HB2 -1.89 0.00 0.11 -0.04 2.15 0.33 2bo9A1 GLN 122 HB3 -0.58 -0.01 0.03 -0.04 2.02 1.42 2bo9A1 GLN 122 HG2 -0.42 -0.05 -0.04 -0.04 2.40 1.84 2bo9A1 GLN 122 HG3 -0.34 -0.01 -0.02 -0.04 2.39 1.98 2bo9A1 GLN 122 HE21 -0.09 0.01 -0.01 -0.04 6.97 6.84 2bo9A1 GLN 122 HE22 -0.15 -0.03 0.02 -0.04 7.69 7.49 2bo9A1 ASN 123 H -0.31 0.49 0.11 -0.55 8.53 8.28 2bo9A1 ASN 123 HA -0.04 0.10 0.74 -0.75 4.76 4.81 2bo9A1 ASN 123 HB2 0.01 0.16 -0.29 -0.04 2.88 2.73 2bo9A1 ASN 123 HB3 0.24 -0.04 0.01 -0.04 2.79 2.96 2bo9A1 ASN 123 HD21 0.24 0.02 -0.07 -0.04 7.03 7.17 2bo9A1 ASN 123 HD22 0.35 0.04 -0.05 -0.04 7.74 8.04 2bo9A1 ARG 124 H -0.04 0.21 0.12 -0.55 8.46 8.19 2bo9A1 ARG 124 HA -0.04 0.28 0.48 -0.75 4.34 4.32 2bo9A1 ARG 124 HB2 -0.14 0.07 0.14 -0.04 1.90 1.93 2bo9A1 ARG 124 HB3 -0.12 -0.05 0.10 -0.04 1.80 1.69 2bo9A1 ARG 124 HG2 -0.35 -0.02 0.01 -0.04 1.67 1.27 2bo9A1 ARG 124 HG3 -0.39 -0.03 -0.11 -0.04 1.67 1.10 2bo9A1 ARG 124 HD2 -0.88 0.02 0.18 -0.04 3.22 2.50 2bo9A1 ARG 124 HD3 -0.76 0.05 0.07 -0.04 3.22 2.54 2bo9A1 LEU 125 H 0.04 0.01 -0.46 -0.55 8.37 7.41 2bo9A1 LEU 125 HA -0.18 0.21 0.72 -0.75 4.35 4.35 2bo9A1 LEU 125 HB2 -0.00 -0.00 0.02 -0.04 1.64 1.61 2bo9A1 LEU 125 HB3 -0.10 -0.00 0.14 -0.04 1.64 1.63 2bo9A1 LEU 125 HG -0.07 -0.08 -0.15 -0.04 1.64 1.31 2bo9A1 LEU 125 HD13 0.02 0.01 -0.01 -0.04 0.93 0.91 2bo9A1 LEU 125 HD23 -0.07 0.04 -0.07 -0.04 0.89 0.75 2bo9A1 TRP 126 H 0.31 0.44 -0.27 -0.55 7.97 7.90 2bo9A1 TRP 126 HA 0.03 0.03 0.61 -0.75 4.62 4.53 2bo9A1 TRP 126 HB2 0.32 0.05 0.07 -0.04 3.23 3.64 2bo9A1 TRP 126 HB3 0.22 0.04 0.03 -0.04 3.23 3.48 2bo9A1 TRP 126 HD1 0.08 -0.05 -0.19 -0.04 7.22 7.01 2bo9A1 TRP 126 HE1 -0.08 0.26 -0.35 -0.04 10.20 9.99 2bo9A1 TRP 126 HE3 0.12 -0.02 -0.00 -0.04 7.59 7.64 2bo9A1 TRP 126 HZ2 -0.12 0.14 -0.13 -0.04 7.44 7.28 2bo9A1 TRP 126 HZ3 0.00 -0.00 0.02 -0.04 7.13 7.11 2bo9A1 TRP 126 HH2 -0.09 0.08 0.08 -0.04 7.19 7.23 2bo9A1 ARG 127 H -0.94 0.09 0.24 -0.55 8.46 7.30 2bo9A1 ARG 127 HA -0.08 -0.06 0.91 -0.75 4.34 4.36 2bo9A1 ARG 127 HB2 -0.31 0.06 0.03 -0.04 1.90 1.64 2bo9A1 ARG 127 HB3 -0.44 0.03 0.19 -0.04 1.80 1.54 2bo9A1 ARG 127 HG2 -0.21 0.01 -0.22 -0.04 1.67 1.21 2bo9A1 ARG 127 HG3 -0.45 -0.11 0.05 -0.04 1.67 1.12 2bo9A1 ARG 127 HD2 -0.30 -0.01 0.00 -0.04 3.22 2.87 2bo9A1 ARG 127 HD3 -0.28 0.03 0.06 -0.04 3.22 2.99 2bo9A1 LYS 128 H -1.18 0.01 0.17 -0.55 8.42 6.86 2bo9A1 LYS 128 HA 0.02 0.07 0.40 -0.75 4.32 4.05 2bo9A1 LYS 128 HB2 -0.40 0.09 0.08 -0.04 1.87 1.59 2bo9A1 LYS 128 HB3 0.02 -0.07 -0.03 -0.04 1.79 1.67 2bo9A1 LYS 128 HG2 -0.13 -0.01 -0.22 -0.04 1.46 1.06 2bo9A1 LYS 128 HG3 -0.47 -0.12 0.03 -0.04 1.46 0.86 2bo9A1 LYS 128 HD2 0.01 -0.12 -0.59 -0.04 1.69 0.95 2bo9A1 LYS 128 HD3 -0.09 -0.00 -0.11 -0.04 1.68 1.43 2bo9A1 LYS 128 HE2 -0.40 -0.16 -0.13 -0.04 2.99 2.27 2bo9A1 LYS 128 HE3 -0.27 0.05 -0.00 -0.04 2.99 2.73 2bo9A1 THR 129 H 0.13 0.55 0.37 -0.55 8.28 8.78 2bo9A1 THR 129 HA 0.22 0.06 0.79 -0.75 4.39 4.70 2bo9A1 THR 129 HB 0.07 -0.20 0.31 -0.04 4.32 4.45 2bo9A1 THR 129 HG23 0.07 0.07 0.19 -0.04 1.22 1.51 2bo9A1 ARG 130 H 0.05 -0.00 0.13 -0.55 8.46 8.09 2bo9A1 ARG 130 HA -0.04 0.35 0.81 -0.75 4.34 4.71 2bo9A1 ARG 130 HB2 0.01 -0.15 0.03 -0.04 1.90 1.76 2bo9A1 ARG 130 HB3 -0.16 0.10 0.12 -0.04 1.80 1.83 2bo9A1 ARG 130 HG2 -0.06 -0.12 -0.50 -0.04 1.67 0.95 2bo9A1 ARG 130 HG3 -0.22 0.04 -0.22 -0.04 1.67 1.23 2bo9A1 ARG 130 HD2 -0.85 0.16 -0.12 -0.04 3.22 2.38 2bo9A1 ARG 130 HD3 -1.80 0.00 -0.12 -0.04 3.22 1.25 2bo9A1 SER 131 H -0.20 -0.07 -0.07 -0.55 8.46 7.58 2bo9A1 SER 131 HA -2.33 0.11 0.46 -0.75 4.49 1.98 2bo9A1 SER 131 HB2 -0.54 0.18 0.05 -0.04 3.95 3.61 2bo9A1 SER 131 HB3 -0.48 -0.11 0.14 -0.04 3.93 3.44 2bo9A1 ARG 132 H -0.68 0.14 0.18 -0.55 8.46 7.55 2bo9A1 ARG 132 HA -0.10 0.16 0.71 -0.75 4.34 4.36 2bo9A1 ARG 132 HB2 0.11 -0.03 0.12 -0.04 1.90 2.05 2bo9A1 ARG 132 HB3 0.03 0.11 -0.05 -0.04 1.80 1.85 2bo9A1 ARG 132 HG2 0.17 -0.06 0.03 -0.04 1.67 1.77 2bo9A1 ARG 132 HG3 0.12 0.03 -0.00 -0.04 1.67 1.77 2bo9A1 ARG 132 HD2 -0.02 0.07 -0.05 -0.04 3.22 3.18 2bo9A1 ARG 132 HD3 -0.09 0.03 -0.31 -0.04 3.22 2.80 2bo9A1 ASN 133 H -0.03 0.36 0.15 -0.55 8.53 8.47 2bo9A1 ASN 133 HA 0.03 0.04 0.55 -0.75 4.76 4.62 2bo9A1 ASN 133 HB2 -0.03 0.42 0.12 -0.04 2.88 3.35 2bo9A1 ASN 133 HB3 -0.04 -0.14 0.01 -0.04 2.79 2.57 2bo9A1 ASN 133 HD21 0.04 0.33 -0.30 -0.04 7.03 7.05 2bo9A1 ASN 133 HD22 -0.06 0.10 -0.57 -0.04 7.74 7.17 2bo9A1 PRO 134 HA 0.03 0.11 0.22 -0.51 4.44 4.29 2bo9A1 PRO 134 HB2 0.04 0.03 0.00 -0.04 2.28 2.32 2bo9A1 PRO 134 HB3 0.05 0.03 0.09 -0.04 2.02 2.16 2bo9A1 PRO 134 HG2 0.06 -0.02 0.09 -0.04 2.03 2.12 2bo9A1 PRO 134 HG3 0.06 0.05 0.11 -0.04 2.03 2.21 2bo9A1 PRO 134 HD2 0.06 0.01 0.24 -0.04 3.68 3.94 2bo9A1 PRO 134 HD3 0.04 0.46 0.41 -0.04 3.65 4.52 2bo9A1 GLY 135 H 0.03 0.09 -0.14 -0.55 8.43 7.86 2bo9A1 GLY 135 HA2 0.01 0.17 0.77 -0.51 4.01 4.45 2bo9A1 GLY 135 HA3 0.02 -0.02 0.32 -0.51 4.01 3.82 2bo9A1 SER 136 H -0.00 0.77 -0.45 -0.55 8.46 8.23 2bo9A1 SER 136 HA -0.03 0.08 0.72 -0.75 4.49 4.51 2bo9A1 SER 136 HB2 -0.08 0.06 -0.17 -0.04 3.95 3.72 2bo9A1 SER 136 HB3 -0.07 -0.01 -0.06 -0.04 3.93 3.75 2bo9A1 SER 137 H -0.02 0.08 0.13 -0.55 8.46 8.10 2bo9A1 SER 137 HA -0.01 0.21 0.74 -0.75 4.49 4.67 2bo9A1 SER 137 HB2 -0.00 0.01 0.09 -0.04 3.95 4.01 2bo9A1 SER 137 HB3 -0.01 0.01 0.07 -0.04 3.93 3.97 2bo9A1 CYS 138 H -0.04 -0.06 -0.11 -0.55 8.50 7.74 2bo9A1 CYS 138 HA 0.02 0.09 0.59 -0.75 4.58 4.53 2bo9A1 CYS 138 HB2 -0.09 -0.12 -0.19 -0.04 2.97 2.53 2bo9A1 CYS 138 HB3 -0.02 0.23 -0.14 -0.04 2.97 3.00 2bo9A1 ILE 139 H 0.14 0.14 0.15 -0.55 8.25 8.13 2bo9A1 ILE 139 HA 0.01 0.12 0.89 -0.75 4.18 4.45 2bo9A1 ILE 139 HB 0.01 -0.05 0.08 -0.04 1.89 1.89 2bo9A1 ILE 139 HG12 -0.05 0.00 -0.12 -0.04 1.49 1.28 2bo9A1 ILE 139 HG13 -0.01 0.07 -0.33 -0.04 1.21 0.90 2bo9A1 ILE 139 HG23 -0.11 0.03 -0.22 -0.04 0.93 0.59 2bo9A1 ILE 139 HD13 -0.10 -0.01 -0.03 -0.04 0.88 0.70 2bo9A1 GLY 140 H 0.01 0.51 0.07 -0.55 8.43 8.47 2bo9A1 GLY 140 HA2 0.06 -0.37 0.13 -0.51 4.01 3.32 2bo9A1 GLY 140 HA3 0.30 0.29 0.22 -0.51 4.01 4.31 2bo9A1 ALA 141 H 0.07 -0.05 0.16 -0.55 8.40 8.03 2bo9A1 ALA 141 HA 0.20 0.29 0.66 -0.75 4.34 4.73 2bo9A1 ALA 141 HB3 -0.06 0.02 -0.18 -0.04 1.41 1.14 2bo9A1 ASP 142 H 0.01 0.77 0.06 -0.55 8.40 8.69 2bo9A1 ASP 142 HA 0.09 0.09 0.62 -0.75 4.63 4.68 2bo9A1 ASP 142 HB2 0.01 0.15 -0.01 -0.04 2.71 2.82 2bo9A1 ASP 142 HB3 0.06 0.11 -0.05 -0.04 2.70 2.77 2bo9A1 PRO 143 HA 0.06 0.04 0.41 -0.51 4.44 4.44 2bo9A1 PRO 143 HB2 0.14 0.02 0.02 -0.04 2.28 2.43 2bo9A1 PRO 143 HB3 0.07 -0.08 0.15 -0.04 2.02 2.12 2bo9A1 PRO 143 HG2 0.11 -0.04 -0.00 -0.04 2.03 2.06 2bo9A1 PRO 143 HG3 0.15 0.26 0.16 -0.04 2.03 2.56 2bo9A1 PRO 143 HD2 0.26 0.14 0.28 -0.04 3.68 4.33 2bo9A1 PRO 143 HD3 0.14 0.09 0.39 -0.04 3.65 4.23 2bo9A1 ASN 144 H 0.32 0.16 -0.34 -0.55 8.53 8.12 2bo9A1 ASN 144 HA 0.51 0.12 0.81 -0.75 4.76 5.44 2bo9A1 ASN 144 HB2 0.13 -0.03 -0.01 -0.04 2.88 2.93 2bo9A1 ASN 144 HB3 0.36 0.11 0.01 -0.04 2.79 3.23 2bo9A1 ASN 144 HD21 0.05 -0.09 0.01 -0.04 7.03 6.96 2bo9A1 ASN 144 HD22 0.14 0.12 -0.02 -0.04 7.74 7.95 2bo9A1 ARG 145 H 0.23 0.44 -0.47 -0.55 8.46 8.11 2bo9A1 ARG 145 HA 0.20 0.35 0.54 -0.75 4.34 4.68 2bo9A1 ARG 145 HB2 0.08 0.07 -0.09 -0.04 1.90 1.92 2bo9A1 ARG 145 HB3 0.07 -0.06 0.15 -0.04 1.80 1.92 2bo9A1 ARG 145 HG2 0.13 -0.21 -0.33 -0.04 1.67 1.22 2bo9A1 ARG 145 HG3 0.04 0.03 0.01 -0.04 1.67 1.70 2bo9A1 ARG 145 HD2 0.06 0.04 0.21 -0.04 3.22 3.49 2bo9A1 ARG 145 HD3 0.13 0.14 0.09 -0.04 3.22 3.53 2bo9A1 ASN 146 H 0.33 0.19 -0.06 -0.55 8.53 8.44 2bo9A1 ASN 146 HA 0.38 0.31 0.68 -0.75 4.76 5.37 2bo9A1 ASN 146 HB2 0.03 0.11 0.05 -0.04 2.88 3.03 2bo9A1 ASN 146 HB3 -0.15 0.04 0.15 -0.04 2.79 2.78 2bo9A1 ASN 146 HD21 -0.18 -0.09 0.16 -0.04 7.03 6.87 2bo9A1 ASN 146 HD22 0.09 0.72 0.19 -0.04 7.74 8.69 2bo9A1 TRP 147 H 0.61 0.58 -0.07 -0.55 7.97 8.54 2bo9A1 TRP 147 HA -0.17 0.05 0.55 -0.75 4.62 4.31 2bo9A1 TRP 147 HB2 0.10 0.01 -0.54 -0.04 3.23 2.75 2bo9A1 TRP 147 HB3 -0.14 -0.01 -0.15 -0.04 3.23 2.88 2bo9A1 TRP 147 HD1 0.05 0.15 0.10 -0.04 7.22 7.48 2bo9A1 TRP 147 HE1 0.03 0.02 -0.01 -0.04 10.20 10.20 2bo9A1 TRP 147 HE3 -1.24 0.03 -0.08 -0.04 7.59 6.26 2bo9A1 TRP 147 HZ2 0.06 -0.02 -0.03 -0.04 7.44 7.40 2bo9A1 TRP 147 HZ3 -0.99 0.08 -0.10 -0.04 7.13 6.08 2bo9A1 TRP 147 HH2 -0.14 0.03 -0.05 -0.04 7.19 6.99 2bo9A1 ASN 148 H 0.09 0.19 0.03 -0.55 8.53 8.29 2bo9A1 ASN 148 HA 0.18 0.06 0.44 -0.75 4.76 4.69 2bo9A1 ASN 148 HB2 0.04 0.01 0.06 -0.04 2.88 2.95 2bo9A1 ASN 148 HB3 0.38 0.06 0.18 -0.04 2.79 3.36 2bo9A1 ASN 148 HD21 0.09 0.03 0.01 -0.04 7.03 7.12 2bo9A1 ASN 148 HD22 0.21 0.04 0.03 -0.04 7.74 7.97 2bo9A1 ALA 149 H 0.27 0.54 -0.16 -0.55 8.40 8.51 2bo9A1 ALA 149 HA 0.10 0.21 0.67 -0.75 4.34 4.56 2bo9A1 ALA 149 HB3 0.34 -0.01 -0.22 -0.04 1.41 1.48 2bo9A1 SER 150 H -0.20 0.24 0.02 -0.55 8.46 7.97 2bo9A1 SER 150 HA -0.19 0.11 0.29 -0.75 4.49 3.94 2bo9A1 SER 150 HB2 -1.28 -0.02 -0.02 -0.04 3.95 2.58 2bo9A1 SER 150 HB3 -0.44 0.02 0.23 -0.04 3.93 3.70 2bo9A1 PHE 151 H 0.14 0.01 -0.23 -0.55 8.34 7.72 2bo9A1 PHE 151 HA -0.01 0.11 0.24 -0.75 4.62 4.21 2bo9A1 PHE 151 HB2 0.01 0.01 0.01 -0.04 3.15 3.14 2bo9A1 PHE 151 HB3 -0.04 -0.03 0.00 -0.04 3.06 2.95 2bo9A1 PHE 151 HD2 -0.05 0.05 -0.21 -0.04 7.28 7.03 2bo9A1 PHE 151 HE2 -0.10 0.16 -0.15 -0.04 7.38 7.25 2bo9A1 PHE 151 HZ -0.08 0.21 -0.59 -0.04 7.32 6.82 2bo9A1 ALA 152 H -0.83 0.22 0.06 -0.55 8.40 7.31 2bo9A1 ALA 152 HA -0.71 0.01 0.21 -0.75 4.34 3.10 2bo9A1 ALA 152 HB3 -0.81 0.04 -0.02 -0.04 1.41 0.58 2bo9A1 GLY 153 H -0.16 0.44 -0.44 -0.55 8.43 7.72 2bo9A1 GLY 153 HA2 -0.06 0.02 0.41 -0.51 4.01 3.86 2bo9A1 GLY 153 HA3 -0.06 0.06 0.28 -0.51 4.01 3.78 2bo9A1 LYS 154 H -0.00 0.07 0.13 -0.55 8.42 8.06 2bo9A1 LYS 154 HA 0.00 0.00 0.45 -0.75 4.32 4.03 2bo9A1 LYS 154 HB2 0.01 -0.00 0.16 -0.04 1.87 1.99 2bo9A1 LYS 154 HB3 0.03 0.03 0.10 -0.04 1.79 1.90 2bo9A1 LYS 154 HG2 0.02 0.04 -0.17 -0.04 1.46 1.31 2bo9A1 LYS 154 HG3 0.01 -0.02 0.07 -0.04 1.46 1.47 2bo9A1 LYS 154 HD2 0.01 -0.01 0.02 -0.04 1.69 1.68 2bo9A1 LYS 154 HD3 0.02 -0.01 -0.01 -0.04 1.68 1.64 2bo9A1 LYS 154 HE2 0.02 0.02 -0.02 -0.04 2.99 2.97 2bo9A1 LYS 154 HE3 0.01 -0.00 0.01 -0.04 2.99 2.96 2bo9A1 GLY 155 H 0.01 0.10 0.20 -0.55 8.43 8.19 2bo9A1 GLY 155 HA2 0.02 0.16 0.09 -0.51 4.01 3.77 2bo9A1 GLY 155 HA3 0.06 0.03 0.43 -0.51 4.01 4.02 2bo9A1 ALA 156 H 0.01 0.20 0.17 -0.55 8.40 8.22 2bo9A1 ALA 156 HA -0.02 0.15 0.50 -0.75 4.34 4.21 2bo9A1 ALA 156 HB3 0.03 0.04 0.04 -0.04 1.41 1.48 2bo9A1 SER 157 H -0.06 0.50 0.18 -0.55 8.46 8.53 2bo9A1 SER 157 HA -0.01 0.21 0.97 -0.75 4.49 4.91 2bo9A1 SER 157 HB2 -0.04 0.08 -0.19 -0.04 3.95 3.75 2bo9A1 SER 157 HB3 -0.03 -0.03 -0.21 -0.04 3.93 3.62 2bo9A1 ASP 158 H 0.00 0.20 0.13 -0.55 8.40 8.19 2bo9A1 ASP 158 HA -0.12 0.17 0.66 -0.75 4.63 4.58 2bo9A1 ASP 158 HB2 0.03 -0.02 0.02 -0.04 2.71 2.70 2bo9A1 ASP 158 HB3 0.08 0.03 0.07 -0.04 2.70 2.84 2bo9A1 ASN 159 H -0.05 -0.01 -0.20 -0.55 8.53 7.72 2bo9A1 ASN 159 HA -0.13 0.23 0.55 -0.75 4.76 4.65 2bo9A1 ASN 159 HB2 -0.06 0.06 0.07 -0.04 2.88 2.91 2bo9A1 ASN 159 HB3 -0.08 -0.07 0.13 -0.04 2.79 2.73 2bo9A1 ASN 159 HD21 -0.05 0.05 -0.02 -0.04 7.03 6.96 2bo9A1 ASN 159 HD22 -0.05 0.03 -0.00 -0.04 7.74 7.67 2bo9A1 PRO 160 HA -1.80 0.08 0.30 -0.51 4.44 2.52 2bo9A1 PRO 160 HB2 -0.30 -0.04 -0.05 -0.04 2.28 1.84 2bo9A1 PRO 160 HB3 -0.60 0.05 -0.01 -0.04 2.02 1.42 2bo9A1 PRO 160 HG2 -0.22 0.05 0.02 -0.04 2.03 1.84 2bo9A1 PRO 160 HG3 -0.48 0.09 0.02 -0.04 2.03 1.62 2bo9A1 PRO 160 HD2 -0.20 0.04 0.20 -0.04 3.68 3.67 2bo9A1 PRO 160 HD3 -0.21 0.35 0.36 -0.04 3.65 4.11 2bo9A1 CYS 161 H -0.19 0.01 -0.44 -0.55 8.50 7.33 2bo9A1 CYS 161 HA -0.08 0.16 0.49 -0.75 4.58 4.40 2bo9A1 CYS 161 HB2 -0.08 -0.03 -0.03 -0.04 2.97 2.80 2bo9A1 CYS 161 HB3 -0.05 0.03 0.07 -0.04 2.97 2.98 2bo9A1 SER 162 H -0.13 0.42 -0.32 -0.55 8.46 7.88 2bo9A1 SER 162 HA -0.08 0.06 0.39 -0.75 4.49 4.11 2bo9A1 SER 162 HB2 -0.06 -0.01 0.05 -0.04 3.95 3.88 2bo9A1 SER 162 HB3 -0.04 0.20 0.04 -0.04 3.93 4.09 2bo9A1 GLU 163 H -0.11 0.17 0.16 -0.55 8.60 8.27 2bo9A1 GLU 163 HA -0.22 0.13 0.49 -0.75 4.29 3.94 2bo9A1 GLU 163 HB2 -0.14 0.01 0.06 -0.04 2.09 1.98 2bo9A1 GLU 163 HB3 -0.20 -0.01 0.10 -0.04 1.99 1.83 2bo9A1 GLU 163 HG2 -0.15 0.01 0.11 -0.04 2.34 2.27 2bo9A1 GLU 163 HG3 -0.14 0.04 0.06 -0.04 2.34 2.26 2bo9A1 VAL 164 H -0.07 0.01 -0.40 -0.55 8.24 7.23 2bo9A1 VAL 164 HA -0.04 0.23 0.83 -0.75 4.13 4.40 2bo9A1 VAL 164 HB -0.05 0.08 0.14 -0.04 2.12 2.24 2bo9A1 VAL 164 HG13 -0.14 0.01 -0.18 -0.04 0.97 0.61 2bo9A1 VAL 164 HG23 -0.09 -0.02 -0.16 -0.04 0.95 0.64 2bo9A1 TYR 165 H 0.05 0.41 -0.37 -0.55 8.29 7.82 2bo9A1 TYR 165 HA -0.24 0.16 0.47 -0.75 4.56 4.20 2bo9A1 TYR 165 HB2 -0.13 0.18 0.05 -0.04 3.06 3.12 2bo9A1 TYR 165 HB3 -0.10 -0.00 0.09 -0.04 2.98 2.93 2bo9A1 TYR 165 HD2 -0.21 0.21 -0.12 -0.04 7.15 6.99 2bo9A1 TYR 165 HE2 -0.10 0.06 -0.15 -0.04 6.85 6.62 2bo9A1 HIS 166 H -0.82 0.46 0.28 -0.55 8.41 7.78 2bo9A1 HIS 166 HA -0.16 0.09 0.38 -0.75 4.63 4.19 2bo9A1 HIS 166 HB2 -0.59 0.00 0.05 -0.04 3.26 2.68 2bo9A1 HIS 166 HB3 -0.31 -0.01 0.11 -0.04 3.20 2.94 2bo9A1 HIS 166 HD2 -0.20 -0.07 -0.21 -0.04 6.97 6.45 2bo9A1 HIS 166 HE1 0.06 -0.01 -0.03 -0.04 7.75 7.71 2bo9A1 GLY 167 H -2.18 0.02 -0.34 -0.55 8.43 5.38 2bo9A1 GLY 167 HA2 -0.56 0.02 0.21 -0.51 4.01 3.16 2bo9A1 GLY 167 HA3 -0.20 0.09 0.63 -0.51 4.01 4.02 2bo9A1 PRO 168 HA 0.22 0.11 0.38 -0.51 4.44 4.64 2bo9A1 PRO 168 HB2 0.18 0.06 -0.03 -0.04 2.28 2.45 2bo9A1 PRO 168 HB3 0.14 0.00 0.08 -0.04 2.02 2.20 2bo9A1 PRO 168 HG2 -0.26 0.04 0.07 -0.04 2.03 1.83 2bo9A1 PRO 168 HG3 0.02 0.05 0.06 -0.04 2.03 2.12 2bo9A1 PRO 168 HD2 -0.13 0.06 0.15 -0.04 3.68 3.72 2bo9A1 PRO 168 HD3 0.07 0.10 0.09 -0.04 3.65 3.87 2bo9A1 HIS 169 H -0.30 0.20 -0.13 -0.55 8.41 7.63 2bo9A1 HIS 169 HA -0.28 0.13 0.39 -0.75 4.63 4.12 2bo9A1 HIS 169 HB2 -0.23 -0.01 0.05 -0.04 3.26 3.03 2bo9A1 HIS 169 HB3 -0.07 0.15 -0.08 -0.04 3.20 3.15 2bo9A1 HIS 169 HD2 -0.01 0.01 -0.20 -0.04 6.97 6.72 2bo9A1 HIS 169 HE1 -0.09 0.06 -0.14 -0.04 7.75 7.53 2bo9A1 ALA 170 H -0.90 0.12 0.04 -0.55 8.40 7.12 2bo9A1 ALA 170 HA -0.90 0.22 0.37 -0.75 4.34 3.28 2bo9A1 ALA 170 HB3 -0.41 -0.02 -0.05 -0.04 1.41 0.89 2bo9A1 ASN 171 H -0.32 0.75 0.35 -0.55 8.53 8.76 2bo9A1 ASN 171 HA -0.37 -0.08 0.33 -0.75 4.76 3.89 2bo9A1 ASN 171 HB2 -0.16 0.25 -0.03 -0.04 2.88 2.90 2bo9A1 ASN 171 HB3 -0.24 -0.06 0.15 -0.04 2.79 2.61 2bo9A1 ASN 171 HD21 -0.17 -0.02 -0.06 -0.04 7.03 6.73 2bo9A1 ASN 171 HD22 -0.13 0.10 -0.14 -0.04 7.74 7.53 2bo9A1 SER 172 H -0.38 0.45 -0.32 -0.55 8.46 7.66 2bo9A1 SER 172 HA -0.24 0.13 0.43 -0.75 4.49 4.04 2bo9A1 SER 172 HB2 -0.43 -0.04 0.05 -0.04 3.95 3.49 2bo9A1 SER 172 HB3 -1.26 0.05 0.06 -0.04 3.93 2.74 2bo9A1 GLU 173 H -0.21 0.09 -0.21 -0.55 8.60 7.72 2bo9A1 GLU 173 HA -0.05 0.10 0.71 -0.75 4.29 4.29 2bo9A1 GLU 173 HB2 -0.16 -0.01 0.18 -0.04 2.09 2.06 2bo9A1 GLU 173 HB3 -0.05 -0.11 0.12 -0.04 1.99 1.91 2bo9A1 GLU 173 HG2 -0.11 0.12 -0.01 -0.04 2.34 2.30 2bo9A1 GLU 173 HG3 -0.04 0.02 -0.07 -0.04 2.34 2.21 2bo9A1 VAL 174 H 0.03 0.19 0.23 -0.55 8.24 8.13 2bo9A1 VAL 174 HA -0.06 0.16 0.31 -0.75 4.13 3.79 2bo9A1 VAL 174 HB 0.04 0.10 0.13 -0.04 2.12 2.35 2bo9A1 VAL 174 HG13 0.09 0.00 -0.07 -0.04 0.97 0.96 2bo9A1 VAL 174 HG23 0.01 0.03 0.06 -0.04 0.95 1.01 2bo9A1 GLU 175 H -0.01 -0.06 -0.21 -0.55 8.60 7.78 2bo9A1 GLU 175 HA -0.01 0.15 0.44 -0.75 4.29 4.12 2bo9A1 GLU 175 HB2 0.00 -0.10 0.10 -0.04 2.09 2.06 2bo9A1 GLU 175 HB3 0.04 0.35 0.13 -0.04 1.99 2.47 2bo9A1 GLU 175 HG2 0.09 0.03 0.19 -0.04 2.34 2.61 2bo9A1 GLU 175 HG3 0.06 0.06 0.08 -0.04 2.34 2.50 2bo9A1 VAL 176 H -0.21 0.14 -0.18 -0.55 8.24 7.44 2bo9A1 VAL 176 HA -0.57 0.08 0.64 -0.75 4.13 3.53 2bo9A1 VAL 176 HB -0.51 0.09 0.17 -0.04 2.12 1.82 2bo9A1 VAL 176 HG13 -1.85 0.00 -0.14 -0.04 0.97 -1.06 2bo9A1 VAL 176 HG23 -0.35 0.00 0.08 -0.04 0.95 0.63 2bo9A1 LYS 177 H -0.29 0.53 0.01 -0.55 8.42 8.12 2bo9A1 LYS 177 HA -0.35 -0.01 0.41 -0.75 4.32 3.62 2bo9A1 LYS 177 HB2 -0.18 0.22 0.09 -0.04 1.87 1.97 2bo9A1 LYS 177 HB3 -0.12 0.02 0.09 -0.04 1.79 1.74 2bo9A1 LYS 177 HG2 -0.10 -0.02 -0.10 -0.04 1.46 1.19 2bo9A1 LYS 177 HG3 -0.13 -0.02 0.06 -0.04 1.46 1.32 2bo9A1 LYS 177 HD2 -0.06 0.09 -0.00 -0.04 1.69 1.68 2bo9A1 LYS 177 HD3 -0.05 -0.03 -0.02 -0.04 1.68 1.54 2bo9A1 LYS 177 HE2 -0.05 -0.01 -0.02 -0.04 2.99 2.87 2bo9A1 LYS 177 HE3 -0.03 0.01 -0.02 -0.04 2.99 2.91 2bo9A1 SER 178 H -0.14 0.50 -0.32 -0.55 8.46 7.96 2bo9A1 SER 178 HA -0.04 0.07 0.41 -0.75 4.49 4.18 2bo9A1 SER 178 HB2 -0.03 0.04 0.03 -0.04 3.95 3.95 2bo9A1 SER 178 HB3 0.01 0.13 -0.09 -0.04 3.93 3.93 2bo9A1 VAL 179 H -0.20 0.28 -0.26 -0.55 8.24 7.51 2bo9A1 VAL 179 HA -0.19 0.07 0.49 -0.75 4.13 3.74 2bo9A1 VAL 179 HB -0.24 0.06 0.18 -0.04 2.12 2.07 2bo9A1 VAL 179 HG13 -0.58 -0.02 -0.11 -0.04 0.97 0.22 2bo9A1 VAL 179 HG23 0.15 0.03 0.03 -0.04 0.95 1.12 2bo9A1 VAL 180 H -0.49 0.57 -0.01 -0.55 8.24 7.76 2bo9A1 VAL 180 HA -0.45 -0.00 0.36 -0.75 4.13 3.28 2bo9A1 VAL 180 HB -0.43 0.09 0.16 -0.04 2.12 1.89 2bo9A1 VAL 180 HG13 -0.15 0.00 -0.14 -0.04 0.97 0.65 2bo9A1 VAL 180 HG23 -1.26 0.00 -0.01 -0.04 0.95 -0.36 2bo9A1 ASP 181 H -0.14 0.74 -0.12 -0.55 8.40 8.34 2bo9A1 ASP 181 HA -0.01 0.00 0.35 -0.75 4.63 4.22 2bo9A1 ASP 181 HB2 -0.01 0.13 0.14 -0.04 2.71 2.93 2bo9A1 ASP 181 HB3 0.01 -0.02 -0.02 -0.04 2.70 2.62 2bo9A1 PHE 182 H 0.09 0.44 -0.23 -0.55 8.34 8.08 2bo9A1 PHE 182 HA 0.04 0.05 0.47 -0.75 4.62 4.42 2bo9A1 PHE 182 HB2 0.02 0.13 0.16 -0.04 3.15 3.43 2bo9A1 PHE 182 HB3 -0.15 0.02 0.14 -0.04 3.06 3.03 2bo9A1 PHE 182 HD2 0.05 0.02 -0.19 -0.04 7.28 7.12 2bo9A1 PHE 182 HE2 -0.20 0.01 -0.10 -0.04 7.38 7.04 2bo9A1 PHE 182 HZ 0.32 0.02 -0.09 -0.04 7.32 7.53 2bo9A1 ILE 183 H -0.04 0.60 -0.07 -0.55 8.25 8.20 2bo9A1 ILE 183 HA -0.04 -0.02 0.40 -0.75 4.18 3.77 2bo9A1 ILE 183 HB 0.04 0.08 0.13 -0.04 1.89 2.10 2bo9A1 ILE 183 HG12 -1.34 -0.03 -0.02 -0.04 1.49 0.05 2bo9A1 ILE 183 HG13 -0.77 0.08 0.04 -0.04 1.21 0.51 2bo9A1 ILE 183 HG23 0.11 -0.02 -0.12 -0.04 0.93 0.86 2bo9A1 ILE 183 HD13 -0.61 -0.03 -0.08 -0.04 0.88 0.12 2bo9A1 GLN 184 H 0.11 0.61 -0.12 -0.55 8.47 8.53 2bo9A1 GLN 184 HA 0.15 0.04 0.38 -0.75 4.36 4.17 2bo9A1 GLN 184 HB2 0.09 0.05 0.11 -0.04 2.15 2.36 2bo9A1 GLN 184 HB3 0.10 -0.03 -0.00 -0.04 2.02 2.05 2bo9A1 GLN 184 HG2 0.24 0.00 0.01 -0.04 2.40 2.61 2bo9A1 GLN 184 HG3 0.37 0.08 0.06 -0.04 2.39 2.87 2bo9A1 GLN 184 HE21 0.10 -0.07 -0.06 -0.04 6.97 6.90 2bo9A1 GLN 184 HE22 0.08 0.06 -0.09 -0.04 7.69 7.71 2bo9A1 LYS 185 H 0.01 0.50 -0.20 -0.55 8.42 8.19 2bo9A1 LYS 185 HA 0.00 -0.00 0.41 -0.75 4.32 3.97 2bo9A1 LYS 185 HB2 -0.04 -0.01 0.13 -0.04 1.87 1.91 2bo9A1 LYS 185 HB3 -0.15 0.08 0.17 -0.04 1.79 1.84 2bo9A1 LYS 185 HG2 -0.10 -0.06 -0.03 -0.04 1.46 1.24 2bo9A1 LYS 185 HG3 -0.07 0.04 -0.16 -0.04 1.46 1.22 2bo9A1 LYS 185 HD2 -0.02 0.02 0.06 -0.04 1.69 1.71 2bo9A1 LYS 185 HD3 -0.02 -0.04 0.02 -0.04 1.68 1.60 2bo9A1 LYS 185 HE2 -0.02 0.01 0.01 -0.04 2.99 2.95 2bo9A1 LYS 185 HE3 -0.01 -0.05 0.00 -0.04 2.99 2.89 2bo9A1 HIS 186 H 0.06 0.42 -0.21 -0.55 8.41 8.13 2bo9A1 HIS 186 HA -0.04 0.02 0.44 -0.75 4.63 4.30 2bo9A1 HIS 186 HB2 -0.08 0.02 0.08 -0.04 3.26 3.24 2bo9A1 HIS 186 HB3 0.35 0.02 0.18 -0.04 3.20 3.70 2bo9A1 HIS 186 HD2 0.10 -0.02 -0.04 -0.04 6.97 6.96 2bo9A1 HIS 186 HE1 -0.12 0.21 -0.15 -0.04 7.75 7.65 2bo9A1 GLY 187 H 0.35 0.53 0.04 -0.55 8.43 8.80 2bo9A1 GLY 187 HA2 0.15 0.03 0.30 -0.51 4.01 3.99 2bo9A1 GLY 187 HA3 0.08 0.13 0.25 -0.51 4.01 3.96 2bo9A1 ASN 188 H 0.79 0.02 -0.32 -0.55 8.53 8.47 2bo9A1 ASN 188 HA 0.17 0.24 0.76 -0.75 4.76 5.17 2bo9A1 ASN 188 HB2 0.04 0.07 -0.27 -0.04 2.88 2.68 2bo9A1 ASN 188 HB3 0.19 0.04 -0.06 -0.04 2.79 2.91 2bo9A1 ASN 188 HD21 0.06 -0.01 -0.00 -0.04 7.03 7.03 2bo9A1 ASN 188 HD22 0.06 0.02 -0.27 -0.04 7.74 7.51 2bo9A1 PHE 189 H 0.48 0.10 -0.00 -0.55 8.34 8.37 2bo9A1 PHE 189 HA 0.17 0.09 0.90 -0.75 4.62 5.02 2bo9A1 PHE 189 HB2 0.16 0.01 0.06 -0.04 3.15 3.34 2bo9A1 PHE 189 HB3 0.23 0.01 -0.07 -0.04 3.06 3.19 2bo9A1 PHE 189 HD2 0.19 0.03 -0.03 -0.04 7.28 7.43 2bo9A1 PHE 189 HE2 0.11 0.03 -0.25 -0.04 7.38 7.23 2bo9A1 PHE 189 HZ -0.59 -0.00 -0.14 -0.04 7.32 6.56 2bo9A1 LYS 190 H 0.26 0.80 0.51 -0.55 8.42 9.43 2bo9A1 LYS 190 HA 0.22 0.20 0.91 -0.75 4.32 4.90 2bo9A1 LYS 190 HB2 0.23 0.02 0.00 -0.04 1.87 2.08 2bo9A1 LYS 190 HB3 0.30 -0.02 0.07 -0.04 1.79 2.10 2bo9A1 LYS 190 HG2 0.13 -0.01 0.01 -0.04 1.46 1.56 2bo9A1 LYS 190 HG3 0.14 0.03 -0.02 -0.04 1.46 1.57 2bo9A1 LYS 190 HD2 0.15 -0.01 0.04 -0.04 1.69 1.83 2bo9A1 LYS 190 HD3 0.14 0.10 -0.23 -0.04 1.68 1.64 2bo9A1 LYS 190 HE2 0.10 0.05 0.00 -0.04 2.99 3.10 2bo9A1 LYS 190 HE3 0.09 -0.02 0.04 -0.04 2.99 3.05 2bo9A1 GLY 191 H 0.42 0.30 0.39 -0.55 8.43 9.00 2bo9A1 GLY 191 HA2 0.44 0.20 0.81 -0.51 4.01 4.96 2bo9A1 GLY 191 HA3 0.40 0.01 0.32 -0.51 4.01 4.23 2bo9A1 PHE 192 H 0.48 0.77 0.25 -0.55 8.34 9.29 2bo9A1 PHE 192 HA 0.42 0.19 0.84 -0.75 4.62 5.32 2bo9A1 PHE 192 HB2 0.21 0.07 -0.22 -0.04 3.15 3.17 2bo9A1 PHE 192 HB3 0.17 -0.05 0.06 -0.04 3.06 3.20 2bo9A1 PHE 192 HD2 0.07 0.01 -0.25 -0.04 7.28 7.08 2bo9A1 PHE 192 HE2 -0.25 -0.06 -0.17 -0.04 7.38 6.85 2bo9A1 PHE 192 HZ -0.11 -0.06 -0.12 -0.04 7.32 7.00 2bo9A1 ILE 193 H 0.08 0.73 0.38 -0.55 8.25 8.88 2bo9A1 ILE 193 HA 0.42 0.30 1.12 -0.75 4.18 5.27 2bo9A1 ILE 193 HB 0.18 -0.02 0.17 -0.04 1.89 2.17 2bo9A1 ILE 193 HG12 0.47 0.04 -0.13 -0.04 1.49 1.83 2bo9A1 ILE 193 HG13 0.34 -0.07 -0.31 -0.04 1.21 1.13 2bo9A1 ILE 193 HG23 0.35 -0.01 -0.15 -0.04 0.93 1.08 2bo9A1 ILE 193 HD13 0.18 0.00 -0.10 -0.04 0.88 0.93 2bo9A1 ASP 194 H 0.38 0.68 0.44 -0.55 8.40 9.36 2bo9A1 ASP 194 HA 0.19 0.14 0.93 -0.75 4.63 5.14 2bo9A1 ASP 194 HB2 0.48 -0.01 -0.05 -0.04 2.71 3.08 2bo9A1 ASP 194 HB3 0.40 -0.04 0.18 -0.04 2.70 3.19 2bo9A1 LEU 195 H 0.13 0.80 0.38 -0.55 8.37 9.14 2bo9A1 LEU 195 HA 0.30 0.15 0.99 -0.75 4.35 5.03 2bo9A1 LEU 195 HB2 0.09 -0.10 0.32 -0.04 1.64 1.91 2bo9A1 LEU 195 HB3 0.12 0.01 0.10 -0.04 1.64 1.83 2bo9A1 LEU 195 HG 0.06 0.12 0.02 -0.04 1.64 1.80 2bo9A1 LEU 195 HD13 0.03 -0.00 -0.05 -0.04 0.93 0.86 2bo9A1 LEU 195 HD23 -0.09 -0.01 -0.11 -0.04 0.89 0.64 2bo9A1 HIS 196 H 0.39 0.87 0.49 -0.55 8.41 9.62 2bo9A1 HIS 196 HA 0.24 0.04 0.92 -0.75 4.63 5.08 2bo9A1 HIS 196 HB2 0.20 0.14 0.05 -0.04 3.26 3.61 2bo9A1 HIS 196 HB3 0.24 0.07 0.12 -0.04 3.20 3.59 2bo9A1 HIS 196 HD2 0.20 0.14 -0.40 -0.04 6.97 6.87 2bo9A1 HIS 196 HE1 -0.15 -0.03 -0.07 -0.04 7.75 7.45 2bo9A1 SER 197 H 0.40 0.28 0.28 -0.55 8.46 8.88 2bo9A1 SER 197 HA 0.24 -0.03 0.24 -0.75 4.49 4.19 2bo9A1 SER 197 HB2 0.28 0.24 0.05 -0.04 3.95 4.47 2bo9A1 SER 197 HB3 0.29 -0.05 -0.02 -0.04 3.93 4.10 2bo9A1 TYR 198 H -0.51 0.21 0.09 -0.55 8.29 7.53 2bo9A1 TYR 198 HA 0.05 0.13 0.20 -0.75 4.56 4.19 2bo9A1 TYR 198 HB2 -0.06 0.17 -0.25 -0.04 3.06 2.89 2bo9A1 TYR 198 HB3 -0.05 0.06 -0.17 -0.04 2.98 2.78 2bo9A1 TYR 198 HD2 -0.48 0.07 -0.45 -0.04 7.15 6.25 2bo9A1 TYR 198 HE2 -0.88 0.10 -0.14 -0.04 6.85 5.89 2bo9A1 SER 199 H 0.06 0.37 0.13 -0.55 8.46 8.48 2bo9A1 SER 199 HA 0.05 -0.01 0.27 -0.75 4.49 4.04 2bo9A1 SER 199 HB2 -0.14 -0.07 -0.01 -0.04 3.95 3.69 2bo9A1 SER 199 HB3 -0.11 0.01 0.06 -0.04 3.93 3.85 2bo9A1 GLN 200 H -0.13 0.22 -0.00 -0.55 8.47 8.01 2bo9A1 GLN 200 HA -1.12 0.07 0.35 -0.75 4.36 2.91 2bo9A1 GLN 200 HB2 -0.27 0.16 0.05 -0.04 2.15 2.05 2bo9A1 GLN 200 HB3 -0.72 0.09 0.13 -0.04 2.02 1.47 2bo9A1 GLN 200 HG2 -0.26 -0.04 -0.17 -0.04 2.40 1.89 2bo9A1 GLN 200 HG3 -0.13 -0.05 -0.38 -0.04 2.39 1.79 2bo9A1 GLN 200 HE21 0.01 -0.10 0.02 -0.04 6.97 6.85 2bo9A1 GLN 200 HE22 -0.09 0.46 0.06 -0.04 7.69 8.08 2bo9A1 LEU 201 H -0.18 0.33 0.21 -0.55 8.37 8.18 2bo9A1 LEU 201 HA -0.05 0.33 0.97 -0.75 4.35 4.85 2bo9A1 LEU 201 HB2 -0.07 -0.15 -0.10 -0.04 1.64 1.28 2bo9A1 LEU 201 HB3 -0.08 0.03 -0.15 -0.04 1.64 1.40 2bo9A1 LEU 201 HG -0.13 -0.01 -0.65 -0.04 1.64 0.81 2bo9A1 LEU 201 HD13 -0.14 -0.01 -0.20 -0.04 0.93 0.54 2bo9A1 LEU 201 HD23 -0.09 0.02 -0.10 -0.04 0.89 0.68 2bo9A1 LEU 202 H 0.05 0.73 0.30 -0.55 8.37 8.90 2bo9A1 LEU 202 HA -0.17 0.24 0.99 -0.75 4.35 4.66 2bo9A1 LEU 202 HB2 -0.28 -0.03 -0.04 -0.04 1.64 1.25 2bo9A1 LEU 202 HB3 -0.08 0.01 0.12 -0.04 1.64 1.64 2bo9A1 LEU 202 HG -0.17 -0.03 -0.12 -0.04 1.64 1.28 2bo9A1 LEU 202 HD13 -0.90 0.01 -0.09 -0.04 0.93 -0.09 2bo9A1 LEU 202 HD23 -0.48 0.04 -0.04 -0.04 0.89 0.36 2bo9A1 MET 203 H 0.00 0.65 0.32 -0.55 8.47 8.89 2bo9A1 MET 203 HA -0.17 0.31 1.06 -0.75 4.52 4.97 2bo9A1 MET 203 HB2 -0.09 -0.10 -0.00 -0.04 2.15 1.92 2bo9A1 MET 203 HB3 -0.22 -0.04 0.03 -0.04 2.03 1.76 2bo9A1 MET 203 HG2 -0.18 0.14 -0.26 -0.04 2.63 2.28 2bo9A1 MET 203 HG3 -0.09 -0.12 -0.47 -0.04 2.56 1.83 2bo9A1 MET 203 HE3 -0.13 -0.02 -0.19 -0.04 2.10 1.72 2bo9A1 TYR 204 H -0.67 0.37 0.29 -0.55 8.29 7.73 2bo9A1 TYR 204 HA -0.24 0.21 0.82 -0.75 4.56 4.59 2bo9A1 TYR 204 HB2 -0.47 0.07 0.20 -0.04 3.06 2.82 2bo9A1 TYR 204 HB3 -0.33 0.07 -0.02 -0.04 2.98 2.65 2bo9A1 TYR 204 HD2 -0.11 0.16 -0.19 -0.04 7.15 6.96 2bo9A1 TYR 204 HE2 -0.07 0.00 -0.07 -0.04 6.85 6.68 2bo9A1 PRO 205 HA -0.30 -0.15 0.44 -0.51 4.44 3.93 2bo9A1 PRO 205 HB2 -1.31 0.04 0.04 -0.04 2.28 1.01 2bo9A1 PRO 205 HB3 -0.82 -0.07 0.12 -0.04 2.02 1.20 2bo9A1 PRO 205 HG2 -0.83 0.15 0.09 -0.04 2.03 1.40 2bo9A1 PRO 205 HG3 -0.32 -0.07 -0.14 -0.04 2.03 1.46 2bo9A1 PRO 205 HD2 -0.57 0.12 0.25 -0.04 3.68 3.44 2bo9A1 PRO 205 HD3 -0.34 0.44 0.29 -0.04 3.65 4.00 2bo9A1 TYR 206 H -0.08 0.26 0.21 -0.55 8.29 8.13 2bo9A1 TYR 206 HA -0.25 -0.06 0.49 -0.75 4.56 3.98 2bo9A1 TYR 206 HB2 -0.28 0.34 0.12 -0.04 3.06 3.20 2bo9A1 TYR 206 HB3 -0.57 -0.25 0.08 -0.04 2.98 2.19 2bo9A1 TYR 206 HD2 -0.33 0.07 -0.05 -0.04 7.15 6.80 2bo9A1 TYR 206 HE2 0.09 0.07 -0.07 -0.04 6.85 6.91 2bo9A1 GLY 207 H 0.00 0.08 0.22 -0.55 8.43 8.19 2bo9A1 GLY 207 HA2 -0.02 0.11 0.87 -0.51 4.01 4.46 2bo9A1 GLY 207 HA3 0.04 0.15 0.43 -0.51 4.01 4.12 2bo9A1 TYR 208 H -0.14 -0.07 0.14 -0.55 8.29 7.67 2bo9A1 TYR 208 HA 0.03 0.27 0.31 -0.75 4.56 4.41 2bo9A1 TYR 208 HB2 0.00 0.08 0.15 -0.04 3.06 3.24 2bo9A1 TYR 208 HB3 0.05 -0.05 0.16 -0.04 2.98 3.10 2bo9A1 TYR 208 HD2 0.00 -0.01 -0.18 -0.04 7.15 6.92 2bo9A1 TYR 208 HE2 -0.08 0.04 -0.09 -0.04 6.85 6.68 2bo9A1 SER 209 H -0.15 0.13 -0.36 -0.55 8.46 7.55 2bo9A1 SER 209 HA 0.02 0.16 0.60 -0.75 4.49 4.51 2bo9A1 SER 209 HB2 0.03 0.13 -0.18 -0.04 3.95 3.89 2bo9A1 SER 209 HB3 -0.38 -0.01 -0.08 -0.04 3.93 3.42 2bo9A1 VAL 210 H -0.01 0.17 0.08 -0.55 8.24 7.93 2bo9A1 VAL 210 HA -0.01 0.17 0.69 -0.75 4.13 4.23 2bo9A1 VAL 210 HB -0.01 0.03 0.08 -0.04 2.12 2.19 2bo9A1 VAL 210 HG13 -0.00 0.01 -0.10 -0.04 0.97 0.84 2bo9A1 VAL 210 HG23 0.00 -0.00 -0.08 -0.04 0.95 0.83 2bo9A1 LYS 211 H -0.03 -0.06 -0.24 -0.55 8.42 7.54 2bo9A1 LYS 211 HA 0.01 0.04 0.39 -0.75 4.32 4.01 2bo9A1 LYS 211 HB2 0.01 0.09 0.01 -0.04 1.87 1.94 2bo9A1 LYS 211 HB3 -0.02 -0.03 0.05 -0.04 1.79 1.75 2bo9A1 LYS 211 HG2 -0.19 -0.13 -0.12 -0.04 1.46 0.97 2bo9A1 LYS 211 HG3 0.04 0.07 -0.42 -0.04 1.46 1.11 2bo9A1 LYS 211 HD2 -0.05 0.08 -0.08 -0.04 1.69 1.60 2bo9A1 LYS 211 HD3 -0.08 -0.00 -0.05 -0.04 1.68 1.51 2bo9A1 LYS 211 HE2 -0.69 -0.08 -0.09 -0.04 2.99 2.09 2bo9A1 LYS 211 HE3 -1.01 -0.01 -0.11 -0.04 2.99 1.82 2bo9A1 LYS 212 H 0.04 0.09 0.15 -0.55 8.42 8.14 2bo9A1 LYS 212 HA 0.05 0.06 0.58 -0.75 4.32 4.25 2bo9A1 LYS 212 HB2 0.03 0.02 0.13 -0.04 1.87 2.00 2bo9A1 LYS 212 HB3 0.04 -0.02 0.07 -0.04 1.79 1.84 2bo9A1 LYS 212 HG2 0.02 0.23 -0.14 -0.04 1.46 1.53 2bo9A1 LYS 212 HG3 0.03 -0.03 0.05 -0.04 1.46 1.48 2bo9A1 LYS 212 HD2 0.01 -0.04 -0.01 -0.04 1.69 1.60 2bo9A1 LYS 212 HD3 0.02 0.00 0.01 -0.04 1.68 1.67 2bo9A1 LYS 212 HE2 0.01 -0.01 -0.01 -0.04 2.99 2.95 2bo9A1 LYS 212 HE3 0.02 -0.02 -0.04 -0.04 2.99 2.91 2bo9A1 ALA 213 H -0.00 0.16 0.16 -0.55 8.40 8.17 2bo9A1 ALA 213 HA 0.17 0.13 0.45 -0.75 4.34 4.34 2bo9A1 ALA 213 HB3 -0.43 -0.00 0.00 -0.04 1.41 0.94 2bo9A1 PRO 214 HA 0.05 0.10 0.41 -0.51 4.44 4.49 2bo9A1 PRO 214 HB2 0.06 0.04 0.03 -0.04 2.28 2.37 2bo9A1 PRO 214 HB3 0.04 0.05 0.11 -0.04 2.02 2.18 2bo9A1 PRO 214 HG2 0.08 0.08 0.08 -0.04 2.03 2.23 2bo9A1 PRO 214 HG3 0.09 0.06 0.10 -0.04 2.03 2.24 2bo9A1 PRO 214 HD2 0.36 0.08 0.19 -0.04 3.68 4.26 2bo9A1 PRO 214 HD3 0.27 0.18 0.21 -0.04 3.65 4.27 2bo9A1 ASP 215 H 0.10 0.10 -0.37 -0.55 8.40 7.69 2bo9A1 ASP 215 HA -0.01 0.21 0.77 -0.75 4.63 4.85 2bo9A1 ASP 215 HB2 0.04 0.05 0.04 -0.04 2.71 2.80 2bo9A1 ASP 215 HB3 -0.03 -0.03 0.16 -0.04 2.70 2.76 2bo9A1 ALA 216 H -0.06 0.66 -0.37 -0.55 8.40 8.09 2bo9A1 ALA 216 HA -0.31 0.03 0.30 -0.75 4.34 3.60 2bo9A1 ALA 216 HB3 -0.01 0.00 0.08 -0.04 1.41 1.44 2bo9A1 GLU 217 H -0.05 0.19 -0.20 -0.55 8.60 8.00 2bo9A1 GLU 217 HA -0.06 0.08 0.41 -0.75 4.29 3.97 2bo9A1 GLU 217 HB2 -0.02 0.02 0.08 -0.04 2.09 2.13 2bo9A1 GLU 217 HB3 -0.02 0.04 -0.01 -0.04 1.99 1.96 2bo9A1 GLU 217 HG2 -0.01 0.05 0.02 -0.04 2.34 2.36 2bo9A1 GLU 217 HG3 -0.01 0.02 0.03 -0.04 2.34 2.33 2bo9A1 GLU 218 H -0.05 0.16 -0.18 -0.55 8.60 7.99 2bo9A1 GLU 218 HA -0.01 0.06 0.43 -0.75 4.29 4.02 2bo9A1 GLU 218 HB2 0.06 -0.00 0.08 -0.04 2.09 2.19 2bo9A1 GLU 218 HB3 0.03 0.09 0.13 -0.04 1.99 2.19 2bo9A1 GLU 218 HG2 0.20 -0.01 -0.27 -0.04 2.34 2.22 2bo9A1 GLU 218 HG3 0.14 -0.02 0.01 -0.04 2.34 2.43 2bo9A1 LEU 219 H -0.19 0.59 -0.04 -0.55 8.37 8.18 2bo9A1 LEU 219 HA 0.06 0.05 0.39 -0.75 4.35 4.09 2bo9A1 LEU 219 HB2 -0.76 0.01 0.06 -0.04 1.64 0.91 2bo9A1 LEU 219 HB3 -0.58 -0.02 0.02 -0.04 1.64 1.02 2bo9A1 LEU 219 HG -0.22 0.12 0.02 -0.04 1.64 1.51 2bo9A1 LEU 219 HD13 -0.52 0.02 0.06 -0.04 0.93 0.45 2bo9A1 LEU 219 HD23 -0.11 0.02 -0.03 -0.04 0.89 0.73 2bo9A1 ASP 220 H -0.42 0.68 -0.19 -0.55 8.40 7.93 2bo9A1 ASP 220 HA -0.14 -0.01 0.36 -0.75 4.63 4.09 2bo9A1 ASP 220 HB2 -0.19 0.05 0.10 -0.04 2.71 2.62 2bo9A1 ASP 220 HB3 -0.09 0.09 0.12 -0.04 2.70 2.78 2bo9A1 LYS 221 H -0.09 0.50 -0.16 -0.55 8.42 8.12 2bo9A1 LYS 221 HA -0.04 -0.00 0.40 -0.75 4.32 3.93 2bo9A1 LYS 221 HB2 -0.03 0.02 0.13 -0.04 1.87 1.94 2bo9A1 LYS 221 HB3 -0.05 0.13 0.20 -0.04 1.79 2.02 2bo9A1 LYS 221 HG2 -0.05 -0.00 -0.25 -0.04 1.46 1.12 2bo9A1 LYS 221 HG3 -0.02 -0.05 0.01 -0.04 1.46 1.36 2bo9A1 LYS 221 HD2 0.01 -0.01 -0.03 -0.04 1.69 1.61 2bo9A1 LYS 221 HD3 0.00 -0.02 -0.01 -0.04 1.68 1.60 2bo9A1 LYS 221 HE2 -0.00 0.02 0.04 -0.04 2.99 3.02 2bo9A1 LYS 221 HE3 0.02 0.02 -0.04 -0.04 2.99 2.95 2bo9A1 VAL 222 H -0.09 0.60 -0.13 -0.55 8.24 8.06 2bo9A1 VAL 222 HA -0.18 0.02 0.39 -0.75 4.13 3.61 2bo9A1 VAL 222 HB 0.03 0.08 0.12 -0.04 2.12 2.31 2bo9A1 VAL 222 HG13 -0.29 -0.01 -0.13 -0.04 0.97 0.50 2bo9A1 VAL 222 HG23 -0.66 0.05 0.01 -0.04 0.95 0.31 2bo9A1 ALA 223 H 0.00 0.65 -0.16 -0.55 8.40 8.35 2bo9A1 ALA 223 HA -0.25 -0.03 0.38 -0.75 4.34 3.69 2bo9A1 ALA 223 HB3 0.15 0.02 0.03 -0.04 1.41 1.57 2bo9A1 ARG 224 H -0.03 0.61 -0.21 -0.55 8.46 8.28 2bo9A1 ARG 224 HA -0.02 0.01 0.46 -0.75 4.34 4.03 2bo9A1 ARG 224 HB2 -0.02 0.11 0.14 -0.04 1.90 2.09 2bo9A1 ARG 224 HB3 -0.01 -0.05 0.01 -0.04 1.80 1.70 2bo9A1 ARG 224 HG2 0.01 -0.06 0.01 -0.04 1.67 1.60 2bo9A1 ARG 224 HG3 0.02 0.21 0.06 -0.04 1.67 1.93 2bo9A1 ARG 224 HD2 0.00 -0.01 -0.04 -0.04 3.22 3.13 2bo9A1 ARG 224 HD3 0.01 -0.03 -0.01 -0.04 3.22 3.15 2bo9A1 LEU 225 H -0.07 0.58 -0.10 -0.55 8.37 8.24 2bo9A1 LEU 225 HA -0.05 0.00 0.50 -0.75 4.35 4.05 2bo9A1 LEU 225 HB2 -0.10 0.15 0.17 -0.04 1.64 1.82 2bo9A1 LEU 225 HB3 -0.07 -0.05 -0.01 -0.04 1.64 1.47 2bo9A1 LEU 225 HG -0.05 0.07 0.06 -0.04 1.64 1.68 2bo9A1 LEU 225 HD13 -0.04 -0.01 -0.06 -0.04 0.93 0.78 2bo9A1 LEU 225 HD23 -0.03 -0.02 0.01 -0.04 0.89 0.81 2bo9A1 ALA 226 H -0.13 0.62 -0.18 -0.55 8.40 8.15 2bo9A1 ALA 226 HA -0.10 0.02 0.46 -0.75 4.34 3.96 2bo9A1 ALA 226 HB3 -0.16 0.01 0.10 -0.04 1.41 1.31 2bo9A1 ALA 227 H -0.10 0.65 -0.11 -0.55 8.40 8.29 2bo9A1 ALA 227 HA -0.16 -0.04 0.44 -0.75 4.34 3.82 2bo9A1 ALA 227 HB3 -0.02 0.02 0.06 -0.04 1.41 1.42 2bo9A1 LYS 228 H -0.05 0.57 -0.22 -0.55 8.42 8.17 2bo9A1 LYS 228 HA -0.02 0.02 0.48 -0.75 4.32 4.05 2bo9A1 LYS 228 HB2 -0.03 0.12 0.19 -0.04 1.87 2.11 2bo9A1 LYS 228 HB3 -0.02 -0.05 -0.01 -0.04 1.79 1.67 2bo9A1 LYS 228 HG2 -0.01 -0.05 0.02 -0.04 1.46 1.39 2bo9A1 LYS 228 HG3 -0.02 0.16 0.05 -0.04 1.46 1.61 2bo9A1 LYS 228 HD2 -0.02 -0.01 -0.04 -0.04 1.69 1.58 2bo9A1 LYS 228 HD3 -0.01 -0.02 -0.01 -0.04 1.68 1.60 2bo9A1 LYS 228 HE2 -0.00 -0.01 -0.01 -0.04 2.99 2.92 2bo9A1 LYS 228 HE3 -0.00 -0.00 -0.02 -0.04 2.99 2.92 2bo9A1 ALA 229 H -0.06 0.55 -0.15 -0.55 8.40 8.20 2bo9A1 ALA 229 HA -0.04 0.02 0.40 -0.75 4.34 3.96 2bo9A1 ALA 229 HB3 -0.07 0.01 0.01 -0.04 1.41 1.32 2bo9A1 LEU 230 H -0.07 0.66 -0.15 -0.55 8.37 8.26 2bo9A1 LEU 230 HA -0.04 0.09 0.47 -0.75 4.35 4.11 2bo9A1 LEU 230 HB2 -0.11 0.00 0.11 -0.04 1.64 1.59 2bo9A1 LEU 230 HB3 -0.16 0.16 0.15 -0.04 1.64 1.74 2bo9A1 LEU 230 HG -0.08 -0.09 -0.26 -0.04 1.64 1.17 2bo9A1 LEU 230 HD13 -0.44 -0.03 -0.10 -0.04 0.93 0.32 2bo9A1 LEU 230 HD23 -0.03 -0.02 -0.26 -0.04 0.89 0.53 2bo9A1 ALA 231 H -0.03 0.55 -0.24 -0.55 8.40 8.13 2bo9A1 ALA 231 HA 0.03 -0.04 0.26 -0.75 4.34 3.84 2bo9A1 ALA 231 HB3 0.02 0.03 0.04 -0.04 1.41 1.46 2bo9A1 SER 232 H -0.01 0.42 -0.64 -0.55 8.46 7.68 2bo9A1 SER 232 HA 0.00 0.02 0.28 -0.75 4.49 4.03 2bo9A1 SER 232 HB2 -0.00 -0.08 0.10 -0.04 3.95 3.92 2bo9A1 SER 232 HB3 -0.01 0.07 0.12 -0.04 3.93 4.07 2bo9A1 VAL 233 H 0.00 0.36 -0.28 -0.55 8.24 7.77 2bo9A1 VAL 233 HA 0.01 0.09 0.43 -0.75 4.13 3.91 2bo9A1 VAL 233 HB 0.01 -0.04 0.16 -0.04 2.12 2.20 2bo9A1 VAL 233 HG13 0.01 -0.02 -0.11 -0.04 0.97 0.80 2bo9A1 VAL 233 HG23 0.02 0.04 0.01 -0.04 0.95 0.98 2bo9A1 SER 234 H 0.02 0.02 0.07 -0.55 8.46 8.02 2bo9A1 SER 234 HA 0.01 0.25 0.79 -0.75 4.49 4.79 2bo9A1 SER 234 HB2 0.01 -0.01 0.16 -0.04 3.95 4.07 2bo9A1 SER 234 HB3 0.01 0.05 -0.14 -0.04 3.93 3.81 2bo9A1 GLY 235 H 0.02 0.40 0.09 -0.55 8.43 8.39 2bo9A1 GLY 235 HA2 0.02 0.17 0.32 -0.51 4.01 4.02 2bo9A1 GLY 235 HA3 0.02 0.07 0.47 -0.51 4.01 4.06 2bo9A1 THR 236 H 0.05 -0.03 -0.14 -0.55 8.28 7.61 2bo9A1 THR 236 HA 0.08 0.03 0.40 -0.75 4.39 4.15 2bo9A1 THR 236 HB 0.14 0.01 -0.00 -0.04 4.32 4.42 2bo9A1 THR 236 HG23 0.21 -0.00 -0.15 -0.04 1.22 1.24 2bo9A1 GLU 237 H 0.08 0.10 0.20 -0.55 8.60 8.44 2bo9A1 GLU 237 HA 0.12 0.15 0.80 -0.75 4.29 4.60 2bo9A1 GLU 237 HB2 0.04 -0.07 0.16 -0.04 2.09 2.18 2bo9A1 GLU 237 HB3 0.05 0.05 -0.00 -0.04 1.99 2.05 2bo9A1 GLU 237 HG2 0.04 0.03 -0.08 -0.04 2.34 2.30 2bo9A1 GLU 237 HG3 0.04 0.17 0.05 -0.04 2.34 2.56 2bo9A1 TYR 238 H 0.25 0.20 0.16 -0.55 8.29 8.34 2bo9A1 TYR 238 HA 0.01 0.38 0.92 -0.75 4.56 5.12 2bo9A1 TYR 238 HB2 -0.00 -0.04 0.03 -0.04 3.06 3.01 2bo9A1 TYR 238 HB3 -0.03 0.06 -0.17 -0.04 2.98 2.80 2bo9A1 TYR 238 HD2 -0.01 -0.03 -0.60 -0.04 7.15 6.47 2bo9A1 TYR 238 HE2 0.15 -0.03 -0.18 -0.04 6.85 6.74 2bo9A1 GLN 239 H -0.02 0.50 0.34 -0.55 8.47 8.74 2bo9A1 GLN 239 HA 0.03 0.17 0.91 -0.75 4.36 4.71 2bo9A1 GLN 239 HB2 -0.04 0.03 0.06 -0.04 2.15 2.16 2bo9A1 GLN 239 HB3 -0.02 -0.00 0.10 -0.04 2.02 2.05 2bo9A1 GLN 239 HG2 -0.02 0.03 -0.07 -0.04 2.40 2.30 2bo9A1 GLN 239 HG3 -0.02 0.00 0.01 -0.04 2.39 2.33 2bo9A1 GLN 239 HE21 0.01 -0.02 -0.08 -0.04 6.97 6.85 2bo9A1 GLN 239 HE22 0.00 -0.01 -0.18 -0.04 7.69 7.47 2bo9A1 VAL 240 H 0.01 0.24 0.19 -0.55 8.24 8.13 2bo9A1 VAL 240 HA 0.00 0.33 0.99 -0.75 4.13 4.70 2bo9A1 VAL 240 HB 0.05 -0.04 0.05 -0.04 2.12 2.14 2bo9A1 VAL 240 HG13 0.19 0.01 -0.11 -0.04 0.97 1.02 2bo9A1 VAL 240 HG23 0.02 0.00 -0.34 -0.04 0.95 0.60 2bo9A1 GLY 241 H -0.13 0.44 0.32 -0.55 8.43 8.51 2bo9A1 GLY 241 HA2 -0.12 0.03 0.29 -0.51 4.01 3.69 2bo9A1 GLY 241 HA3 -0.16 0.13 0.52 -0.51 4.01 3.99 2bo9A1 PRO 242 HA -0.82 0.24 0.57 -0.51 4.44 3.92 2bo9A1 PRO 242 HB2 -0.20 0.02 -0.03 -0.04 2.28 2.04 2bo9A1 PRO 242 HB3 -0.25 0.13 0.03 -0.04 2.02 1.89 2bo9A1 PRO 242 HG2 -0.14 -0.09 0.05 -0.04 2.03 1.81 2bo9A1 PRO 242 HG3 -0.08 0.08 0.07 -0.04 2.03 2.07 2bo9A1 PRO 242 HD2 -0.16 0.15 0.19 -0.04 3.68 3.82 2bo9A1 PRO 242 HD3 -0.14 0.14 0.16 -0.04 3.65 3.77 2bo9A1 THR 243 H -0.27 0.42 0.12 -0.55 8.28 7.99 2bo9A1 THR 243 HA -0.21 0.03 0.25 -0.75 4.39 3.70 2bo9A1 THR 243 HB -0.10 -0.04 -0.07 -0.04 4.32 4.07 2bo9A1 THR 243 HG23 -0.11 0.05 -0.07 -0.04 1.22 1.05 2bo9A1 CYS 244 H -0.11 0.56 0.09 -0.55 8.50 8.49 2bo9A1 CYS 244 HA -0.02 0.20 0.03 -0.75 4.58 4.03 2bo9A1 CYS 244 HB2 -0.03 0.10 -0.04 -0.04 2.97 2.96 2bo9A1 CYS 244 HB3 -0.04 0.00 -0.11 -0.04 2.97 2.78 2bo9A1 THR 245 H -0.10 0.14 -0.32 -0.55 8.28 7.45 2bo9A1 THR 245 HA -0.04 0.18 0.69 -0.75 4.39 4.47 2bo9A1 THR 245 HB -0.04 0.02 0.05 -0.04 4.32 4.30 2bo9A1 THR 245 HG23 -0.03 -0.02 -0.09 -0.04 1.22 1.05 2bo9A1 THR 246 H -0.15 0.29 -0.22 -0.55 8.28 7.66 2bo9A1 THR 246 HA -0.10 0.12 0.59 -0.75 4.39 4.24 2bo9A1 THR 246 HB -0.19 -0.04 -0.13 -0.04 4.32 3.92 2bo9A1 THR 246 HG23 -0.12 -0.02 -0.24 -0.04 1.22 0.81 2bo9A1 VAL 247 H -0.24 0.42 0.03 -0.55 8.24 7.90 2bo9A1 VAL 247 HA -0.23 0.24 0.98 -0.75 4.13 4.36 2bo9A1 VAL 247 HB -1.02 -0.02 -0.07 -0.04 2.12 0.97 2bo9A1 VAL 247 HG13 -0.28 -0.02 -0.21 -0.04 0.97 0.42 2bo9A1 VAL 247 HG23 -0.73 0.00 -0.00 -0.04 0.95 0.18 2bo9A1 TYR 248 H -0.27 0.35 0.10 -0.55 8.29 7.91 2bo9A1 TYR 248 HA -0.03 0.09 0.42 -0.75 4.56 4.29 2bo9A1 TYR 248 HB2 -0.02 0.08 0.01 -0.04 3.06 3.09 2bo9A1 TYR 248 HB3 -0.03 0.09 0.13 -0.04 2.98 3.13 2bo9A1 TYR 248 HD2 -0.03 0.13 -0.38 -0.04 7.15 6.83 2bo9A1 TYR 248 HE2 -0.04 -0.04 -0.11 -0.04 6.85 6.62 2bo9A1 PRO 249 HA 0.08 0.18 0.63 -0.51 4.44 4.82 2bo9A1 PRO 249 HB2 0.06 -0.11 -0.06 -0.04 2.28 2.13 2bo9A1 PRO 249 HB3 0.06 0.07 -0.09 -0.04 2.02 2.02 2bo9A1 PRO 249 HG2 0.04 -0.03 0.03 -0.04 2.03 2.03 2bo9A1 PRO 249 HG3 0.04 0.05 0.02 -0.04 2.03 2.09 2bo9A1 PRO 249 HD2 0.10 0.05 0.19 -0.04 3.68 3.98 2bo9A1 PRO 249 HD3 0.08 0.19 0.17 -0.04 3.65 4.04 2bo9A1 ALA 250 H 0.12 0.54 0.10 -0.55 8.40 8.61 2bo9A1 ALA 250 HA 0.11 0.39 0.76 -0.75 4.34 4.84 2bo9A1 ALA 250 HB3 0.21 -0.03 -0.03 -0.04 1.41 1.52 2bo9A1 SER 251 H 0.08 0.43 -0.06 -0.55 8.46 8.36 2bo9A1 SER 251 HA 0.20 -0.01 0.79 -0.75 4.49 4.72 2bo9A1 SER 251 HB2 0.00 0.16 0.04 -0.04 3.95 4.11 2bo9A1 SER 251 HB3 0.06 0.22 -0.24 -0.04 3.93 3.92 2bo9A1 GLY 252 H 0.16 0.58 0.11 -0.55 8.43 8.73 2bo9A1 GLY 252 HA2 0.29 0.00 0.17 -0.51 4.01 3.96 2bo9A1 GLY 252 HA3 0.25 0.20 0.20 -0.51 4.01 4.15 2bo9A1 SER 253 H 0.19 0.03 -0.28 -0.55 8.46 7.85 2bo9A1 SER 253 HA 0.08 0.34 0.62 -0.75 4.49 4.77 2bo9A1 SER 253 HB2 0.01 -0.06 0.06 -0.04 3.95 3.92 2bo9A1 SER 253 HB3 0.10 0.23 -0.11 -0.04 3.93 4.11 2bo9A1 SER 254 H -0.41 0.21 0.11 -0.55 8.46 7.82 2bo9A1 SER 254 HA -2.24 0.10 0.26 -0.75 4.49 1.86 2bo9A1 SER 254 HB2 -1.20 0.08 -0.04 -0.04 3.95 2.75 2bo9A1 SER 254 HB3 -0.97 0.04 0.07 -0.04 3.93 3.03 2bo9A1 ILE 255 H -0.17 0.10 -0.18 -0.55 8.25 7.45 2bo9A1 ILE 255 HA -0.27 0.18 0.28 -0.75 4.18 3.61 2bo9A1 ILE 255 HB -0.03 0.11 -0.18 -0.04 1.89 1.76 2bo9A1 ILE 255 HG12 -0.02 -0.04 -0.12 -0.04 1.49 1.26 2bo9A1 ILE 255 HG13 -0.07 -0.06 -0.25 -0.04 1.21 0.79 2bo9A1 ILE 255 HG23 0.24 0.01 -0.26 -0.04 0.93 0.88 2bo9A1 ILE 255 HD13 -0.06 0.04 -0.31 -0.04 0.88 0.50 2bo9A1 ASP 256 H -0.04 0.05 -0.38 -0.55 8.40 7.48 2bo9A1 ASP 256 HA 0.08 0.10 0.51 -0.75 4.63 4.56 2bo9A1 ASP 256 HB2 0.23 0.07 0.05 -0.04 2.71 3.02 2bo9A1 ASP 256 HB3 0.49 0.06 -0.02 -0.04 2.70 3.18 2bo9A1 TRP 257 H 0.13 0.43 -0.28 -0.55 7.97 7.70 2bo9A1 TRP 257 HA 0.07 0.08 0.31 -0.75 4.62 4.33 2bo9A1 TRP 257 HB2 0.16 -0.12 -0.23 -0.04 3.23 3.00 2bo9A1 TRP 257 HB3 -0.24 0.11 0.02 -0.04 3.23 3.08 2bo9A1 TRP 257 HD1 0.13 0.15 -0.12 -0.04 7.22 7.34 2bo9A1 TRP 257 HE1 0.06 0.04 -0.03 -0.04 10.20 10.23 2bo9A1 TRP 257 HE3 -0.40 0.04 -0.18 -0.04 7.59 7.01 2bo9A1 TRP 257 HZ2 0.02 0.05 -0.04 -0.04 7.44 7.43 2bo9A1 TRP 257 HZ3 -0.14 0.00 -0.12 -0.04 7.13 6.83 2bo9A1 TRP 257 HH2 -0.03 0.06 -0.05 -0.04 7.19 7.13 2bo9A1 ALA 258 H -0.14 0.52 -0.19 -0.55 8.40 8.04 2bo9A1 ALA 258 HA -0.68 0.05 0.24 -0.75 4.34 3.20 2bo9A1 ALA 258 HB3 -0.37 0.01 0.01 -0.04 1.41 1.02 2bo9A1 TYR 259 H -0.03 0.45 -0.21 -0.55 8.29 7.95 2bo9A1 TYR 259 HA -0.19 0.28 0.19 -0.75 4.56 4.08 2bo9A1 TYR 259 HB2 -0.21 0.07 0.16 -0.04 3.06 3.04 2bo9A1 TYR 259 HB3 -0.16 -0.07 0.19 -0.04 2.98 2.89 2bo9A1 TYR 259 HD2 -0.25 0.11 0.02 -0.04 7.15 6.99 2bo9A1 TYR 259 HE2 -0.21 -0.00 0.03 -0.04 6.85 6.62 2bo9A1 ASP 260 H -0.02 0.56 -0.15 -0.55 8.40 8.24 2bo9A1 ASP 260 HA -0.14 0.01 0.38 -0.75 4.63 4.13 2bo9A1 ASP 260 HB2 0.02 0.13 0.16 -0.04 2.71 2.98 2bo9A1 ASP 260 HB3 -0.02 -0.02 0.08 -0.04 2.70 2.70 2bo9A1 ASN 261 H -0.47 0.36 -0.61 -0.55 8.53 7.27 2bo9A1 ASN 261 HA -0.29 0.14 0.86 -0.75 4.76 4.71 2bo9A1 ASN 261 HB2 -1.19 0.10 0.07 -0.04 2.88 1.82 2bo9A1 ASN 261 HB3 -0.55 -0.03 0.15 -0.04 2.79 2.32 2bo9A1 ASN 261 HD21 -0.44 -0.07 -0.05 -0.04 7.03 6.43 2bo9A1 ASN 261 HD22 -1.34 0.48 0.01 -0.04 7.74 6.85 2bo9A1 GLY 262 H -0.32 0.46 -0.31 -0.55 8.43 7.72 2bo9A1 GLY 262 HA2 -0.23 -0.04 0.22 -0.51 4.01 3.45 2bo9A1 GLY 262 HA3 -0.15 0.12 0.39 -0.51 4.01 3.85 2bo9A1 ILE 263 H -0.21 0.53 -0.22 -0.55 8.25 7.80 2bo9A1 ILE 263 HA 0.03 0.22 0.61 -0.75 4.18 4.28 2bo9A1 ILE 263 HB -0.04 -0.14 -0.19 -0.04 1.89 1.48 2bo9A1 ILE 263 HG12 0.16 0.25 -0.25 -0.04 1.49 1.60 2bo9A1 ILE 263 HG13 -0.09 0.10 -0.29 -0.04 1.21 0.89 2bo9A1 ILE 263 HG23 0.28 -0.03 -0.66 -0.04 0.93 0.48 2bo9A1 ILE 263 HD13 0.05 -0.05 -0.14 -0.04 0.88 0.70 2bo9A1 LYS 264 H -0.12 0.33 0.08 -0.55 8.42 8.17 2bo9A1 LYS 264 HA -0.13 -0.01 0.12 -0.75 4.32 3.55 2bo9A1 LYS 264 HB2 -0.31 0.06 0.07 -0.04 1.87 1.64 2bo9A1 LYS 264 HB3 -0.71 0.10 0.16 -0.04 1.79 1.30 2bo9A1 LYS 264 HG2 -0.97 -0.03 -0.20 -0.04 1.46 0.22 2bo9A1 LYS 264 HG3 -0.22 -0.11 0.03 -0.04 1.46 1.12 2bo9A1 LYS 264 HD2 -0.22 -0.00 0.01 -0.04 1.69 1.43 2bo9A1 LYS 264 HD3 -0.51 0.11 0.02 -0.04 1.68 1.26 2bo9A1 LYS 264 HE2 -0.17 0.02 -0.04 -0.04 2.99 2.76 2bo9A1 LYS 264 HE3 -0.11 -0.12 -0.01 -0.04 2.99 2.71 2bo9A1 PHE 265 H 0.05 0.43 -0.09 -0.55 8.34 8.18 2bo9A1 PHE 265 HA 0.03 0.07 0.50 -0.75 4.62 4.47 2bo9A1 PHE 265 HB2 0.26 0.06 0.26 -0.04 3.15 3.69 2bo9A1 PHE 265 HB3 0.45 -0.04 0.05 -0.04 3.06 3.48 2bo9A1 PHE 265 HD2 0.21 0.10 -0.02 -0.04 7.28 7.53 2bo9A1 PHE 265 HE2 0.19 0.05 -0.04 -0.04 7.38 7.53 2bo9A1 PHE 265 HZ 0.15 0.03 -0.04 -0.04 7.32 7.42 2bo9A1 ALA 266 H -0.30 0.39 0.23 -0.55 8.40 8.17 2bo9A1 ALA 266 HA 0.24 0.32 0.92 -0.75 4.34 5.07 2bo9A1 ALA 266 HB3 -0.03 -0.00 0.05 -0.04 1.41 1.39 2bo9A1 PHE 267 H 0.40 0.58 0.45 -0.55 8.34 9.22 2bo9A1 PHE 267 HA 0.10 0.30 1.10 -0.75 4.62 5.37 2bo9A1 PHE 267 HB2 0.23 -0.07 -0.01 -0.04 3.15 3.26 2bo9A1 PHE 267 HB3 0.05 0.04 -0.07 -0.04 3.06 3.04 2bo9A1 PHE 267 HD2 0.15 0.06 -0.26 -0.04 7.28 7.18 2bo9A1 PHE 267 HE2 0.12 0.07 -0.10 -0.04 7.38 7.43 2bo9A1 PHE 267 HZ 0.03 -0.00 -0.03 -0.04 7.32 7.28 2bo9A1 THR 268 H 0.18 0.68 0.30 -0.55 8.28 8.90 2bo9A1 THR 268 HA 0.33 0.19 1.06 -0.75 4.39 5.21 2bo9A1 THR 268 HB 0.04 -0.04 0.08 -0.04 4.32 4.36 2bo9A1 THR 268 HG23 0.09 0.01 -0.25 -0.04 1.22 1.03 2bo9A1 PHE 269 H 0.54 0.52 0.28 -0.55 8.34 9.13 2bo9A1 PHE 269 HA 0.22 0.33 1.07 -0.75 4.62 5.48 2bo9A1 PHE 269 HB2 0.19 -0.08 0.17 -0.04 3.15 3.40 2bo9A1 PHE 269 HB3 0.24 -0.01 -0.10 -0.04 3.06 3.16 2bo9A1 PHE 269 HD2 0.11 -0.03 -0.15 -0.04 7.28 7.16 2bo9A1 PHE 269 HE2 -0.11 0.01 -0.12 -0.04 7.38 7.11 2bo9A1 PHE 269 HZ -0.13 0.03 -0.28 -0.04 7.32 6.89 2bo9A1 GLU 270 H 0.20 0.79 0.19 -0.55 8.60 9.23 2bo9A1 GLU 270 HA 0.24 0.06 0.56 -0.75 4.29 4.40 2bo9A1 GLU 270 HB2 -0.01 -0.09 0.05 -0.04 2.09 1.99 2bo9A1 GLU 270 HB3 0.02 -0.03 -0.40 -0.04 1.99 1.54 2bo9A1 GLU 270 HG2 0.03 -0.04 -0.30 -0.04 2.34 1.99 2bo9A1 GLU 270 HG3 -0.07 0.08 -0.21 -0.04 2.34 2.10 2bo9A1 LEU 271 H 0.26 0.70 0.20 -0.55 8.37 8.98 2bo9A1 LEU 271 HA 0.38 0.11 0.35 -0.75 4.35 4.44 2bo9A1 LEU 271 HB2 0.22 0.03 0.12 -0.04 1.64 1.98 2bo9A1 LEU 271 HB3 0.21 -0.13 0.17 -0.04 1.64 1.85 2bo9A1 LEU 271 HG 0.29 0.11 0.03 -0.04 1.64 2.02 2bo9A1 LEU 271 HD13 0.15 -0.02 -0.10 -0.04 0.93 0.92 2bo9A1 LEU 271 HD23 0.24 0.01 -0.06 -0.04 0.89 1.04 2bo9A1 ARG 272 H 0.17 0.11 0.15 -0.55 8.46 8.34 2bo9A1 ARG 272 HA 0.06 0.07 0.35 -0.75 4.34 4.06 2bo9A1 ARG 272 HB2 0.10 0.00 0.06 -0.04 1.90 2.02 2bo9A1 ARG 272 HB3 0.07 -0.05 0.08 -0.04 1.80 1.86 2bo9A1 ARG 272 HG2 0.11 0.04 0.03 -0.04 1.67 1.81 2bo9A1 ARG 272 HG3 0.14 0.00 0.09 -0.04 1.67 1.86 2bo9A1 ARG 272 HD2 0.05 0.01 0.01 -0.04 3.22 3.25 2bo9A1 ARG 272 HD3 0.06 -0.02 0.01 -0.04 3.22 3.22 2bo9A1 ASP 273 H 0.00 0.03 0.08 -0.55 8.40 7.96 2bo9A1 ASP 273 HA 0.04 0.13 0.36 -0.75 4.63 4.40 2bo9A1 ASP 273 HB2 0.03 0.03 0.23 -0.04 2.71 2.96 2bo9A1 ASP 273 HB3 0.06 0.13 0.11 -0.04 2.70 2.96 2bo9A1 THR 274 H 0.01 0.10 0.15 -0.55 8.28 8.00 2bo9A1 THR 274 HA 0.10 0.30 0.99 -0.75 4.39 5.03 2bo9A1 THR 274 HB 0.01 0.11 0.18 -0.04 4.32 4.59 2bo9A1 THR 274 HG23 -0.03 0.06 -0.09 -0.04 1.22 1.12 2bo9A1 GLY 275 H -0.09 -0.23 -0.00 -0.55 8.43 7.57 2bo9A1 GLY 275 HA2 -0.46 -0.01 0.14 -0.51 4.01 3.16 2bo9A1 GLY 275 HA3 -0.01 0.36 0.81 -0.51 4.01 4.66 2bo9A1 THR 276 H -0.08 -0.05 0.10 -0.55 8.28 7.69 2bo9A1 THR 276 HA -0.16 0.19 0.48 -0.75 4.39 4.15 2bo9A1 THR 276 HB -0.07 -0.16 0.16 -0.04 4.32 4.21 2bo9A1 THR 276 HG23 -0.36 0.04 -0.07 -0.04 1.22 0.79 2bo9A1 TYR 277 H -0.00 -0.12 -0.03 -0.55 8.29 7.59 2bo9A1 TYR 277 HA -0.11 0.30 0.79 -0.75 4.56 4.78 2bo9A1 TYR 277 HB2 -0.09 -0.12 -0.12 -0.04 3.06 2.69 2bo9A1 TYR 277 HB3 -0.08 0.13 -0.48 -0.04 2.98 2.51 2bo9A1 TYR 277 HD2 -0.04 -0.02 0.01 -0.04 7.15 7.06 2bo9A1 TYR 277 HE2 -0.01 0.01 -0.00 -0.04 6.85 6.80 2bo9A1 GLY 278 H -0.33 -0.24 -0.16 -0.55 8.43 7.15 2bo9A1 GLY 278 HA2 -1.97 0.01 0.18 -0.51 4.01 1.72 2bo9A1 GLY 278 HA3 -1.03 0.15 0.25 -0.51 4.01 2.88 2bo9A1 PHE 279 H -0.40 0.19 0.17 -0.55 8.34 7.75 2bo9A1 PHE 279 HA 0.06 0.02 0.43 -0.75 4.62 4.38 2bo9A1 PHE 279 HB2 -0.07 0.02 0.08 -0.04 3.15 3.13 2bo9A1 PHE 279 HB3 -0.08 0.19 0.11 -0.04 3.06 3.23 2bo9A1 PHE 279 HD2 0.12 -0.01 -0.05 -0.04 7.28 7.30 2bo9A1 PHE 279 HE2 0.15 0.09 -0.03 -0.04 7.38 7.54 2bo9A1 PHE 279 HZ 0.05 0.02 -0.00 -0.04 7.32 7.36 2bo9A1 LEU 280 H -0.01 0.45 -0.26 -0.55 8.37 8.01 2bo9A1 LEU 280 HA -0.14 0.14 0.47 -0.75 4.35 4.06 2bo9A1 LEU 280 HB2 0.05 0.07 0.15 -0.04 1.64 1.88 2bo9A1 LEU 280 HB3 -0.03 -0.02 0.11 -0.04 1.64 1.66 2bo9A1 LEU 280 HG 0.00 -0.04 0.03 -0.04 1.64 1.59 2bo9A1 LEU 280 HD13 -0.02 0.00 0.02 -0.04 0.93 0.89 2bo9A1 LEU 280 HD23 -0.21 0.01 -0.11 -0.04 0.89 0.53 2bo9A1 LEU 281 H 0.04 0.35 -0.48 -0.55 8.37 7.73 2bo9A1 LEU 281 HA -0.14 0.00 0.29 -0.75 4.35 3.74 2bo9A1 LEU 281 HB2 0.08 0.10 -0.07 -0.04 1.64 1.72 2bo9A1 LEU 281 HB3 0.19 -0.04 -0.05 -0.04 1.64 1.70 2bo9A1 LEU 281 HG -0.02 0.10 -0.11 -0.04 1.64 1.57 2bo9A1 LEU 281 HD13 0.01 -0.03 -0.12 -0.04 0.93 0.75 2bo9A1 LEU 281 HD23 0.10 0.02 -0.16 -0.04 0.89 0.81 2bo9A1 PRO 282 HA -0.01 0.11 0.45 -0.51 4.44 4.48 2bo9A1 PRO 282 HB2 -0.17 -0.09 -0.01 -0.04 2.28 1.97 2bo9A1 PRO 282 HB3 -0.13 0.05 0.11 -0.04 2.02 2.00 2bo9A1 PRO 282 HG2 -0.74 0.04 0.06 -0.04 2.03 1.35 2bo9A1 PRO 282 HG3 -0.71 0.13 0.10 -0.04 2.03 1.51 2bo9A1 PRO 282 HD2 -0.52 0.02 0.15 -0.04 3.68 3.29 2bo9A1 PRO 282 HD3 -1.26 0.21 0.22 -0.04 3.65 2.78 2bo9A1 ALA 283 H 0.09 0.19 0.18 -0.55 8.40 8.31 2bo9A1 ALA 283 HA -0.29 0.08 0.29 -0.75 4.34 3.67 2bo9A1 ALA 283 HB3 -0.10 0.07 0.12 -0.04 1.41 1.46 2bo9A1 ASN 284 H -0.05 0.05 -0.30 -0.55 8.53 7.69 2bo9A1 ASN 284 HA -0.05 0.14 0.49 -0.75 4.76 4.59 2bo9A1 ASN 284 HB2 -0.02 0.04 0.14 -0.04 2.88 3.00 2bo9A1 ASN 284 HB3 -0.03 0.01 0.09 -0.04 2.79 2.82 2bo9A1 ASN 284 HD21 -0.02 0.02 -0.01 -0.04 7.03 6.97 2bo9A1 ASN 284 HD22 -0.01 0.03 0.01 -0.04 7.74 7.73 2bo9A1 GLN 285 H -0.06 0.51 -0.55 -0.55 8.47 7.82 2bo9A1 GLN 285 HA -0.04 0.19 0.85 -0.75 4.36 4.61 2bo9A1 GLN 285 HB2 -0.02 0.18 -0.03 -0.04 2.15 2.23 2bo9A1 GLN 285 HB3 -0.01 -0.09 0.07 -0.04 2.02 1.96 2bo9A1 GLN 285 HG2 -0.02 0.07 -0.08 -0.04 2.40 2.32 2bo9A1 GLN 285 HG3 -0.07 -0.04 -0.14 -0.04 2.39 2.10 2bo9A1 GLN 285 HE21 0.06 -0.07 -0.00 -0.04 6.97 6.91 2bo9A1 GLN 285 HE22 -0.11 0.03 -0.02 -0.04 7.69 7.55 2bo9A1 ILE 286 H -0.10 0.59 -0.14 -0.55 8.25 8.06 2bo9A1 ILE 286 HA -0.05 0.00 0.29 -0.75 4.18 3.66 2bo9A1 ILE 286 HB -0.13 0.07 0.17 -0.04 1.89 1.95 2bo9A1 ILE 286 HG12 -0.21 -0.08 -0.07 -0.04 1.49 1.08 2bo9A1 ILE 286 HG13 -0.29 -0.02 -0.01 -0.04 1.21 0.85 2bo9A1 ILE 286 HG23 -0.04 0.01 -0.18 -0.04 0.93 0.68 2bo9A1 ILE 286 HD13 -0.85 0.04 -0.31 -0.04 0.88 -0.29 2bo9A1 ILE 287 H -0.10 0.17 -0.11 -0.55 8.25 7.67 2bo9A1 ILE 287 HA -0.50 0.07 0.38 -0.75 4.18 3.37 2bo9A1 ILE 287 HB -0.04 0.05 0.05 -0.04 1.89 1.91 2bo9A1 ILE 287 HG12 0.14 0.02 -0.10 -0.04 1.49 1.52 2bo9A1 ILE 287 HG13 0.03 0.04 -0.15 -0.04 1.21 1.09 2bo9A1 ILE 287 HG23 -0.01 0.01 -0.12 -0.04 0.93 0.77 2bo9A1 ILE 287 HD13 0.15 -0.02 -0.12 -0.04 0.88 0.85 2bo9A1 PRO 288 HA -0.10 0.07 0.45 -0.51 4.44 4.34 2bo9A1 PRO 288 HB2 -0.04 0.03 0.02 -0.04 2.28 2.25 2bo9A1 PRO 288 HB3 -0.03 0.04 0.06 -0.04 2.02 2.05 2bo9A1 PRO 288 HG2 -0.03 0.16 0.12 -0.04 2.03 2.23 2bo9A1 PRO 288 HG3 -0.03 0.04 0.05 -0.04 2.03 2.04 2bo9A1 PRO 288 HD2 -0.08 -0.05 -0.43 -0.04 3.68 3.08 2bo9A1 PRO 288 HD3 -0.06 0.07 0.02 -0.04 3.65 3.64 2bo9A1 THR 289 H -0.11 0.60 -0.30 -0.55 8.28 7.92 2bo9A1 THR 289 HA -0.02 -0.02 0.45 -0.75 4.39 4.04 2bo9A1 THR 289 HB -0.06 0.20 0.19 -0.04 4.32 4.60 2bo9A1 THR 289 HG23 0.06 -0.05 -0.05 -0.04 1.22 1.15 2bo9A1 ALA 290 H -0.38 0.66 -0.04 -0.55 8.40 8.09 2bo9A1 ALA 290 HA -0.29 -0.03 0.43 -0.75 4.34 3.70 2bo9A1 ALA 290 HB3 -1.04 0.01 0.11 -0.04 1.41 0.45 2bo9A1 GLU 291 H -0.62 0.68 -0.11 -0.55 8.60 8.02 2bo9A1 GLU 291 HA -0.22 0.02 0.40 -0.75 4.29 3.73 2bo9A1 GLU 291 HB2 -0.15 0.08 0.13 -0.04 2.09 2.11 2bo9A1 GLU 291 HB3 0.00 -0.02 -0.03 -0.04 1.99 1.91 2bo9A1 GLU 291 HG2 -0.39 0.02 0.03 -0.04 2.34 1.95 2bo9A1 GLU 291 HG3 -0.04 -0.04 -0.08 -0.04 2.34 2.14 2bo9A1 GLU 292 H -0.11 0.46 -0.13 -0.55 8.60 8.28 2bo9A1 GLU 292 HA 0.00 0.09 0.53 -0.75 4.29 4.16 2bo9A1 GLU 292 HB2 -0.00 0.17 0.18 -0.04 2.09 2.40 2bo9A1 GLU 292 HB3 -0.01 -0.02 0.17 -0.04 1.99 2.08 2bo9A1 GLU 292 HG2 -0.03 0.21 0.27 -0.04 2.34 2.75 2bo9A1 GLU 292 HG3 0.01 -0.06 -0.06 -0.04 2.34 2.20 2bo9A1 THR 293 H -0.06 0.60 -0.08 -0.55 8.28 8.19 2bo9A1 THR 293 HA -0.06 -0.02 0.38 -0.75 4.39 3.93 2bo9A1 THR 293 HB -0.05 0.12 0.11 -0.04 4.32 4.45 2bo9A1 THR 293 HG23 -0.31 -0.04 -0.05 -0.04 1.22 0.78 2bo9A1 TRP 294 H 0.18 0.48 -0.44 -0.55 7.97 7.63 2bo9A1 TRP 294 HA -0.01 -0.04 0.31 -0.75 4.62 4.13 2bo9A1 TRP 294 HB2 0.32 0.10 0.11 -0.04 3.23 3.71 2bo9A1 TRP 294 HB3 0.12 0.21 0.13 -0.04 3.23 3.65 2bo9A1 TRP 294 HD1 0.13 0.05 -0.07 -0.04 7.22 7.29 2bo9A1 TRP 294 HE1 -0.03 -0.02 -0.08 -0.04 10.20 10.04 2bo9A1 TRP 294 HE3 0.03 -0.02 -0.01 -0.04 7.59 7.56 2bo9A1 TRP 294 HZ2 -0.11 -0.01 -0.09 -0.04 7.44 7.19 2bo9A1 TRP 294 HZ3 -0.08 -0.00 -0.09 -0.04 7.13 6.92 2bo9A1 TRP 294 HH2 -0.16 0.04 -0.08 -0.04 7.19 6.95 2bo9A1 LEU 295 H 0.06 0.41 -0.25 -0.55 8.37 8.05 2bo9A1 LEU 295 HA -0.27 -0.00 0.43 -0.75 4.35 3.76 2bo9A1 LEU 295 HB2 -0.04 0.16 -0.05 -0.04 1.64 1.67 2bo9A1 LEU 295 HB3 -0.07 -0.05 -0.08 -0.04 1.64 1.39 2bo9A1 LEU 295 HG 0.06 0.13 0.08 -0.04 1.64 1.87 2bo9A1 LEU 295 HD13 -0.00 0.02 -0.00 -0.04 0.93 0.91 2bo9A1 LEU 295 HD23 -0.02 -0.03 -0.06 -0.04 0.89 0.73 2bo9A1 GLY 296 H -0.05 0.37 -0.20 -0.55 8.43 8.01 2bo9A1 GLY 296 HA2 -0.05 0.05 0.56 -0.51 4.01 4.06 2bo9A1 GLY 296 HA3 0.08 0.03 0.27 -0.51 4.01 3.88 2bo9A1 LEU 297 H -0.14 0.70 -0.03 -0.55 8.37 8.35 2bo9A1 LEU 297 HA -0.06 -0.02 0.37 -0.75 4.35 3.88 2bo9A1 LEU 297 HB2 -0.13 0.10 0.10 -0.04 1.64 1.67 2bo9A1 LEU 297 HB3 -0.07 -0.04 -0.07 -0.04 1.64 1.43 2bo9A1 LEU 297 HG -0.31 0.15 -0.03 -0.04 1.64 1.41 2bo9A1 LEU 297 HD13 0.16 -0.01 -0.11 -0.04 0.93 0.92 2bo9A1 LEU 297 HD23 -0.23 -0.02 -0.08 -0.04 0.89 0.51 2bo9A1 LYS 298 H -0.59 0.76 -0.11 -0.55 8.42 7.93 2bo9A1 LYS 298 HA -0.45 -0.00 0.37 -0.75 4.32 3.48 2bo9A1 LYS 298 HB2 -0.54 0.12 0.10 -0.04 1.87 1.51 2bo9A1 LYS 298 HB3 -0.39 -0.07 -0.06 -0.04 1.79 1.23 2bo9A1 LYS 298 HG2 -1.11 -0.04 -0.05 -0.04 1.46 0.22 2bo9A1 LYS 298 HG3 -2.28 0.17 0.01 -0.04 1.46 -0.69 2bo9A1 LYS 298 HD2 -0.33 -0.11 -0.08 -0.04 1.69 1.13 2bo9A1 LYS 298 HD3 -0.36 -0.03 -0.06 -0.04 1.68 1.18 2bo9A1 LYS 298 HE2 -0.81 0.03 -0.15 -0.04 2.99 2.03 2bo9A1 LYS 298 HE3 -0.40 0.05 -0.05 -0.04 2.99 2.55 2bo9A1 THR 299 H -0.21 0.49 -0.33 -0.55 8.28 7.69 2bo9A1 THR 299 HA -0.12 0.00 0.39 -0.75 4.39 3.90 2bo9A1 THR 299 HB -0.12 0.12 0.18 -0.04 4.32 4.46 2bo9A1 THR 299 HG23 -0.10 -0.03 -0.26 -0.04 1.22 0.79 2bo9A1 ILE 300 H -0.13 0.50 -0.14 -0.55 8.25 7.93 2bo9A1 ILE 300 HA -0.16 0.01 0.41 -0.75 4.18 3.69 2bo9A1 ILE 300 HB -0.05 0.11 0.10 -0.04 1.89 2.01 2bo9A1 ILE 300 HG12 -0.63 -0.05 -0.09 -0.04 1.49 0.68 2bo9A1 ILE 300 HG13 -0.22 0.11 0.03 -0.04 1.21 1.09 2bo9A1 ILE 300 HG23 0.04 -0.02 -0.17 -0.04 0.93 0.75 2bo9A1 ILE 300 HD13 -0.21 -0.03 -0.12 -0.04 0.88 0.48 2bo9A1 MET 301 H -0.11 0.64 -0.13 -0.55 8.47 8.33 2bo9A1 MET 301 HA -0.01 -0.00 0.30 -0.75 4.52 4.05 2bo9A1 MET 301 HB2 -0.13 0.04 0.03 -0.04 2.15 2.06 2bo9A1 MET 301 HB3 -0.03 -0.01 -0.04 -0.04 2.03 1.91 2bo9A1 MET 301 HG2 0.05 -0.06 -0.08 -0.04 2.63 2.51 2bo9A1 MET 301 HG3 -0.03 0.15 -0.02 -0.04 2.56 2.62 2bo9A1 MET 301 HE3 -0.11 -0.01 -0.21 -0.04 2.10 1.72 2bo9A1 GLU 302 H -0.11 0.70 -0.23 -0.55 8.60 8.42 2bo9A1 GLU 302 HA -0.07 0.02 0.49 -0.75 4.29 3.98 2bo9A1 GLU 302 HB2 -0.08 0.14 0.12 -0.04 2.09 2.23 2bo9A1 GLU 302 HB3 -0.06 -0.05 -0.03 -0.04 1.99 1.80 2bo9A1 GLU 302 HG2 -0.08 -0.04 -0.01 -0.04 2.34 2.17 2bo9A1 GLU 302 HG3 -0.13 0.13 0.01 -0.04 2.34 2.31 2bo9A1 HIS 303 H -0.02 0.44 -0.25 -0.55 8.41 8.04 2bo9A1 HIS 303 HA -0.13 0.02 0.45 -0.75 4.63 4.21 2bo9A1 HIS 303 HB2 -0.15 0.02 0.11 -0.04 3.26 3.20 2bo9A1 HIS 303 HB3 -0.27 0.13 0.16 -0.04 3.20 3.17 2bo9A1 HIS 303 HD2 -1.10 0.01 -0.20 -0.04 6.97 5.63 2bo9A1 HIS 303 HE1 0.02 -0.03 -0.04 -0.04 7.75 7.66 2bo9A1 VAL 304 H -0.14 0.47 -0.12 -0.55 8.24 7.90 2bo9A1 VAL 304 HA -0.40 0.03 0.31 -0.75 4.13 3.32 2bo9A1 VAL 304 HB -0.01 0.09 0.06 -0.04 2.12 2.22 2bo9A1 VAL 304 HG13 0.13 -0.00 -0.23 -0.04 0.97 0.83 2bo9A1 VAL 304 HG23 -0.07 0.04 -0.05 -0.04 0.95 0.82 2bo9A1 ARG 305 H -0.07 0.62 -0.20 -0.55 8.46 8.25 2bo9A1 ARG 305 HA -0.01 0.02 0.32 -0.75 4.34 3.91 2bo9A1 ARG 305 HB2 -0.03 0.00 0.10 -0.04 1.90 1.93 2bo9A1 ARG 305 HB3 -0.05 0.14 0.12 -0.04 1.80 1.96 2bo9A1 ARG 305 HG2 -0.02 -0.02 -0.20 -0.04 1.67 1.38 2bo9A1 ARG 305 HG3 -0.01 0.05 -0.02 -0.04 1.67 1.66 2bo9A1 ARG 305 HD2 -0.02 -0.02 -0.16 -0.04 3.22 2.99 2bo9A1 ARG 305 HD3 -0.02 -0.08 -0.24 -0.04 3.22 2.84 2bo9A1 ASP 306 H -0.14 0.41 -0.42 -0.55 8.40 7.70 2bo9A1 ASP 306 HA -0.06 0.05 0.52 -0.75 4.63 4.39 2bo9A1 ASP 306 HB2 -0.20 0.09 0.10 -0.04 2.71 2.67 2bo9A1 ASP 306 HB3 -0.11 -0.10 0.14 -0.04 2.70 2.59 2bo9A1 ASN 307 H -0.10 0.50 -0.58 -0.55 8.53 7.81 2bo9A1 ASN 307 HA -0.02 0.13 0.83 -0.75 4.76 4.94 2bo9A1 ASN 307 HB2 -0.16 0.11 0.07 -0.04 2.88 2.86 2bo9A1 ASN 307 HB3 0.17 -0.10 0.19 -0.04 2.79 3.00 2bo9A1 ASN 307 HD21 -0.66 -0.13 -0.11 -0.04 7.03 6.09 2bo9A1 ASN 307 HD22 -0.79 0.61 -0.06 -0.04 7.74 7.45 2bo9A1 LEU 308 H 0.00 0.21 -0.26 -0.55 8.37 7.78 2bo9A1 LEU 308 HA 0.07 0.19 0.68 -0.75 4.35 4.54 2bo9A1 LEU 308 HB2 0.02 0.03 0.09 -0.04 1.64 1.74 2bo9A1 LEU 308 HB3 0.04 -0.02 0.09 -0.04 1.64 1.71 2bo9A1 LEU 308 HG 0.02 0.14 -0.06 -0.04 1.64 1.70 2bo9A1 LEU 308 HD13 0.03 0.01 -0.00 -0.04 0.93 0.92 2bo9A1 LEU 308 HD23 0.08 -0.02 -0.10 -0.04 0.89 0.81