============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 63 rings ring int. center anis. iso. HIS 3 0.900 65.088 90.938 170.387 -99.200 -91.000 TYR 15 0.840 55.460 81.643 154.572 -99.200 -91.000 HIS 24 0.900 39.549 91.066 155.183 -99.200 -91.000 HIS 25 0.900 32.837 86.460 149.692 -99.200 -91.000 HIS 27 0.900 41.575 91.913 147.755 -99.200 -91.000 PHE 28 1.000 36.828 88.666 143.589 -99.200 -91.000 TRP 60 1.040 52.086 87.862 144.445 -99.200 -91.000 TRP6 60 1.020 52.618 86.735 142.439 -99.200 -91.000 TRP 67 1.040 59.252 91.545 156.989 -99.200 -91.000 TRP6 67 1.020 58.061 89.970 158.283 -99.200 -91.000 TYR 72 0.840 60.782 99.530 157.422 -99.200 -91.000 TRP 86 1.040 48.217 80.601 145.353 -99.200 -91.000 TRP6 86 1.020 46.901 82.464 144.731 -99.200 -91.000 TYR 93 0.840 42.163 82.467 128.832 -99.200 -91.000 PHE 100 1.000 54.397 81.207 131.539 -99.200 -91.000 HIS 104 0.900 58.893 75.008 136.991 -99.200 -91.000 TYR 112 0.840 59.989 100.626 151.819 -99.200 -91.000 TRP 118 1.040 57.924 84.232 139.914 -99.200 -91.000 TRP6 118 1.020 56.324 82.486 139.912 -99.200 -91.000 PHE 124 1.000 54.848 80.953 126.160 -99.200 -91.000 TYR 127 0.840 47.461 75.002 119.519 -99.200 -91.000 HIS 134 0.900 50.746 84.198 109.701 -99.200 -91.000 PHE 135 1.000 52.184 82.907 102.176 -99.200 -91.000 PHE 137 1.000 51.177 89.728 99.180 -99.200 -91.000 TRP 149 1.040 45.886 75.536 134.945 -99.200 -91.000 TRP6 149 1.020 44.059 74.067 134.610 -99.200 -91.000 TYR 151 0.840 44.319 78.553 141.355 -99.200 -91.000 PHE 170 1.000 58.022 90.118 113.191 -99.200 -91.000 TRP 176 1.040 56.047 86.375 111.518 -99.200 -91.000 TRP6 176 1.020 57.694 84.693 111.755 -99.200 -91.000 TYR 181 0.840 50.870 92.330 120.990 -99.200 -91.000 TRP 184 1.040 40.155 94.175 123.915 -99.200 -91.000 TRP6 184 1.020 38.064 93.644 124.898 -99.200 -91.000 HIS 186 0.900 35.481 89.725 128.650 -99.200 -91.000 TRP 187 1.040 34.413 88.713 135.386 -99.200 -91.000 TRP6 187 1.020 32.091 88.979 135.074 -99.200 -91.000 TYR 189 0.840 28.284 87.220 132.134 -99.200 -91.000 TYR 190 0.840 32.983 80.728 131.047 -99.200 -91.000 TYR 198 0.840 39.023 82.266 132.509 -99.200 -91.000 TYR 203 0.840 49.405 88.155 124.944 -99.200 -91.000 HIS 204 0.900 42.529 90.340 118.604 -99.200 -91.000 PHE 205 1.000 50.962 87.852 118.948 -99.200 -91.000 TYR 213 0.840 62.565 82.245 99.018 -99.200 -91.000 PHE 214 1.000 56.553 81.551 96.489 -99.200 -91.000 PHE 225 1.000 53.657 79.783 81.083 -99.200 -91.000 PHE 227 1.000 60.653 85.050 73.716 -99.200 -91.000 PHE 233 1.000 50.835 82.147 72.470 -99.200 -91.000 TYR 234 0.840 54.940 86.594 67.565 -99.200 -91.000 PHE 256 1.000 61.497 72.023 82.065 -99.200 -91.000 TYR 277 0.840 47.988 84.466 99.469 -99.200 -91.000 PHE 280 1.000 46.653 84.450 94.262 -99.200 -91.000 PHE 284 1.000 46.912 83.746 87.864 -99.200 -91.000 HIS 299 0.900 52.167 74.662 67.490 -99.200 -91.000 HIS 300 0.900 50.070 68.700 67.297 -99.200 -91.000 HIS 306 0.900 52.950 72.010 61.538 -99.200 -91.000 TYR 314 0.840 51.628 69.656 25.363 -99.200 -91.000 HIS 318 0.900 47.040 65.255 33.451 -99.200 -91.000 TRP 332 1.040 45.398 75.980 48.412 -99.200 -91.000 TRP6 332 1.020 46.798 77.884 48.542 -99.200 -91.000 TYR 334 0.840 52.540 74.760 55.795 -99.200 -91.000 HIS 341 0.900 43.161 85.457 61.924 -99.200 -91.000 PHE 347 1.000 52.315 86.976 72.684 -99.200 -91.000 PHE 359 1.000 40.823 92.736 89.133 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bg9A1 SER 1 HA 0.00 -0.02 0.21 -0.75 4.49 3.93 2bg9A1 SER 1 HB2 0.01 0.01 0.05 -0.04 3.95 3.98 2bg9A1 SER 1 HB3 0.00 0.05 0.07 -0.04 3.93 4.01 2bg9A1 GLU 2 H 0.01 0.19 0.08 -0.55 8.60 8.33 2bg9A1 GLU 2 HA 0.08 -0.01 0.34 -0.75 4.29 3.95 2bg9A1 GLU 2 HB2 -0.04 0.02 0.06 -0.04 2.09 2.09 2bg9A1 GLU 2 HB3 -0.01 0.02 0.15 -0.04 1.99 2.10 2bg9A1 GLU 2 HG2 -0.02 -0.01 0.07 -0.04 2.34 2.34 2bg9A1 GLU 2 HG3 -0.04 0.02 0.12 -0.04 2.34 2.41 2bg9A1 HIS 3 H 0.28 0.12 0.34 -0.55 8.41 8.60 2bg9A1 HIS 3 HA -0.03 -0.02 0.38 -0.75 4.63 4.20 2bg9A1 HIS 3 HB2 -0.05 0.12 -0.18 -0.04 3.26 3.11 2bg9A1 HIS 3 HB3 -0.04 -0.05 0.16 -0.04 3.20 3.22 2bg9A1 HIS 3 HD2 -0.03 0.03 -0.00 -0.04 6.97 6.92 2bg9A1 HIS 3 HE1 -0.02 0.01 0.01 -0.04 7.75 7.71 2bg9A1 GLU 4 H 0.03 0.46 -1.20 -0.55 8.60 7.34 2bg9A1 GLU 4 HA -0.01 0.11 0.19 -0.75 4.29 3.82 2bg9A1 GLU 4 HB2 -0.00 0.37 -0.07 -0.04 2.09 2.34 2bg9A1 GLU 4 HB3 -0.01 -0.16 0.07 -0.04 1.99 1.85 2bg9A1 GLU 4 HG2 -0.01 -0.03 -0.03 -0.04 2.34 2.23 2bg9A1 GLU 4 HG3 -0.01 -0.03 -0.38 -0.04 2.34 1.87 2bg9A1 THR 5 H -0.02 0.13 -0.04 -0.55 8.28 7.80 2bg9A1 THR 5 HA -0.02 0.09 0.55 -0.75 4.39 4.25 2bg9A1 THR 5 HB -0.03 -0.02 0.08 -0.04 4.32 4.30 2bg9A1 THR 5 HG23 -0.02 0.01 -0.06 -0.04 1.22 1.11 2bg9A1 ARG 6 H -0.03 0.04 -0.23 -0.55 8.46 7.68 2bg9A1 ARG 6 HA -0.02 0.01 0.41 -0.75 4.34 3.98 2bg9A1 ARG 6 HB2 -0.08 -0.10 0.11 -0.04 1.90 1.79 2bg9A1 ARG 6 HB3 0.01 0.08 0.04 -0.04 1.80 1.88 2bg9A1 ARG 6 HG2 -0.01 0.02 0.06 -0.04 1.67 1.71 2bg9A1 ARG 6 HG3 -0.04 -0.02 0.05 -0.04 1.67 1.62 2bg9A1 ARG 6 HD2 -0.08 0.01 0.02 -0.04 3.22 3.13 2bg9A1 ARG 6 HD3 -0.03 0.01 0.02 -0.04 3.22 3.17 2bg9A1 LEU 7 H -0.01 0.97 -0.11 -0.55 8.37 8.67 2bg9A1 LEU 7 HA -0.07 -0.03 0.39 -0.75 4.35 3.88 2bg9A1 LEU 7 HB2 -0.07 -0.11 0.22 -0.04 1.64 1.64 2bg9A1 LEU 7 HB3 -0.14 0.04 0.05 -0.04 1.64 1.55 2bg9A1 LEU 7 HG 0.00 0.27 -1.17 -0.04 1.64 0.70 2bg9A1 LEU 7 HD13 -0.05 0.05 -0.01 -0.04 0.93 0.88 2bg9A1 LEU 7 HD23 -0.05 0.03 -0.00 -0.04 0.89 0.84 2bg9A1 VAL 8 H -0.05 0.42 0.05 -0.55 8.24 8.11 2bg9A1 VAL 8 HA -0.07 0.05 0.35 -0.75 4.13 3.71 2bg9A1 VAL 8 HB -0.02 -0.03 0.01 -0.04 2.12 2.05 2bg9A1 VAL 8 HG13 -0.04 0.04 0.08 -0.04 0.97 1.01 2bg9A1 VAL 8 HG23 -0.02 0.02 0.16 -0.04 0.95 1.06 2bg9A1 ALA 9 H -0.01 0.52 -0.11 -0.55 8.40 8.25 2bg9A1 ALA 9 HA 0.01 0.02 0.49 -0.75 4.34 4.11 2bg9A1 ALA 9 HB3 0.00 -0.01 0.08 -0.04 1.41 1.44 2bg9A1 ASN 10 H -0.00 0.44 -0.07 -0.55 8.53 8.36 2bg9A1 ASN 10 HA 0.03 -0.08 0.40 -0.75 4.76 4.35 2bg9A1 ASN 10 HB2 0.01 -0.02 0.20 -0.04 2.88 3.03 2bg9A1 ASN 10 HB3 -0.01 0.21 0.21 -0.04 2.79 3.16 2bg9A1 ASN 10 HD21 0.07 -0.04 -0.06 -0.04 7.03 6.96 2bg9A1 ASN 10 HD22 0.00 0.05 -0.03 -0.04 7.74 7.72 2bg9A1 LEU 11 H -0.01 0.38 -0.28 -0.55 8.37 7.91 2bg9A1 LEU 11 HA 0.12 0.02 0.26 -0.75 4.35 3.99 2bg9A1 LEU 11 HB2 0.02 0.12 0.04 -0.04 1.64 1.78 2bg9A1 LEU 11 HB3 0.09 -0.03 -0.03 -0.04 1.64 1.63 2bg9A1 LEU 11 HG -0.13 0.37 0.04 -0.04 1.64 1.89 2bg9A1 LEU 11 HD13 -0.30 -0.03 -0.06 -0.04 0.93 0.50 2bg9A1 LEU 11 HD23 -0.21 -0.05 -0.02 -0.04 0.89 0.56 2bg9A1 LEU 12 H 0.06 0.28 -0.17 -0.55 8.37 8.00 2bg9A1 LEU 12 HA 0.17 0.00 0.42 -0.75 4.35 4.18 2bg9A1 LEU 12 HB2 0.07 -0.07 0.10 -0.04 1.64 1.69 2bg9A1 LEU 12 HB3 0.05 0.08 0.22 -0.04 1.64 1.95 2bg9A1 LEU 12 HG 0.05 0.12 -0.69 -0.04 1.64 1.08 2bg9A1 LEU 12 HD13 0.05 -0.02 -0.02 -0.04 0.93 0.90 2bg9A1 LEU 12 HD23 0.03 -0.04 -0.01 -0.04 0.89 0.83 2bg9A1 GLU 13 H 0.06 0.45 -0.06 -0.55 8.60 8.51 2bg9A1 GLU 13 HA 0.04 -0.06 0.37 -0.75 4.29 3.89 2bg9A1 GLU 13 HB2 0.05 0.00 0.21 -0.04 2.09 2.31 2bg9A1 GLU 13 HB3 0.03 -0.10 0.06 -0.04 1.99 1.95 2bg9A1 GLU 13 HG2 0.03 -0.09 0.03 -0.04 2.34 2.27 2bg9A1 GLU 13 HG3 0.04 0.43 0.05 -0.04 2.34 2.82 2bg9A1 ASN 14 H 0.08 0.27 0.01 -0.55 8.53 8.35 2bg9A1 ASN 14 HA 0.07 0.07 0.76 -0.75 4.76 4.91 2bg9A1 ASN 14 HB2 0.08 0.01 0.18 -0.04 2.88 3.10 2bg9A1 ASN 14 HB3 0.08 -0.01 0.13 -0.04 2.79 2.95 2bg9A1 ASN 14 HD21 0.03 -0.04 -0.01 -0.04 7.03 6.97 2bg9A1 ASN 14 HD22 0.04 0.01 0.03 -0.04 7.74 7.78 2bg9A1 TYR 15 H 0.10 0.46 0.12 -0.55 8.29 8.42 2bg9A1 TYR 15 HA 0.03 -0.06 0.45 -0.75 4.56 4.23 2bg9A1 TYR 15 HB2 0.08 0.13 0.04 -0.04 3.06 3.28 2bg9A1 TYR 15 HB3 0.06 0.22 -0.05 -0.04 2.98 3.17 2bg9A1 TYR 15 HD2 0.04 -0.02 -0.05 -0.04 7.15 7.09 2bg9A1 TYR 15 HE2 0.03 -0.00 -0.07 -0.04 6.85 6.77 2bg9A1 ASN 16 H -0.02 0.17 0.09 -0.55 8.53 8.22 2bg9A1 ASN 16 HA -0.30 0.16 0.93 -0.75 4.76 4.78 2bg9A1 ASN 16 HB2 -0.08 0.00 0.17 -0.04 2.88 2.93 2bg9A1 ASN 16 HB3 -0.12 -0.07 0.05 -0.04 2.79 2.61 2bg9A1 ASN 16 HD21 -0.03 0.01 -0.01 -0.04 7.03 6.96 2bg9A1 ASN 16 HD22 -0.04 -0.02 0.01 -0.04 7.74 7.65 2bg9A1 LYS 17 H -0.50 0.20 0.17 -0.55 8.42 7.74 2bg9A1 LYS 17 HA -0.33 0.25 0.44 -0.75 4.32 3.93 2bg9A1 LYS 17 HB2 -0.11 -0.15 0.08 -0.04 1.87 1.64 2bg9A1 LYS 17 HB3 -0.05 0.13 -0.02 -0.04 1.79 1.80 2bg9A1 LYS 17 HG2 -0.22 0.07 0.09 -0.04 1.46 1.36 2bg9A1 LYS 17 HG3 -0.26 -0.01 0.16 -0.04 1.46 1.32 2bg9A1 LYS 17 HD2 -0.02 -0.00 -0.00 -0.04 1.69 1.62 2bg9A1 LYS 17 HD3 -0.05 -0.05 0.00 -0.04 1.68 1.54 2bg9A1 LYS 17 HE2 -0.01 0.07 -0.20 -0.04 2.99 2.82 2bg9A1 LYS 17 HE3 0.02 0.01 -0.48 -0.04 2.99 2.50 2bg9A1 VAL 18 H -0.11 -0.01 -0.12 -0.55 8.24 7.46 2bg9A1 VAL 18 HA 0.02 0.10 0.27 -0.75 4.13 3.75 2bg9A1 VAL 18 HB -0.06 -0.03 -0.08 -0.04 2.12 1.91 2bg9A1 VAL 18 HG13 -0.00 -0.01 0.01 -0.04 0.97 0.92 2bg9A1 VAL 18 HG23 -0.03 -0.01 0.03 -0.04 0.95 0.89 2bg9A1 ILE 19 H -0.10 0.28 -0.66 -0.55 8.25 7.22 2bg9A1 ILE 19 HA -0.16 -0.06 0.45 -0.75 4.18 3.66 2bg9A1 ILE 19 HB -0.04 0.25 0.12 -0.04 1.89 2.18 2bg9A1 ILE 19 HG12 -0.08 -0.02 0.01 -0.04 1.49 1.35 2bg9A1 ILE 19 HG13 -0.08 -0.11 -0.03 -0.04 1.21 0.94 2bg9A1 ILE 19 HG23 -0.09 -0.04 -0.19 -0.04 0.93 0.58 2bg9A1 ILE 19 HD13 -0.03 -0.03 0.04 -0.04 0.88 0.82 2bg9A1 ARG 20 H -0.37 0.06 0.20 -0.55 8.46 7.79 2bg9A1 ARG 20 HA -0.58 0.28 0.91 -0.75 4.34 4.20 2bg9A1 ARG 20 HB2 -1.77 0.02 0.04 -0.04 1.90 0.15 2bg9A1 ARG 20 HB3 -1.88 0.05 0.07 -0.04 1.80 0.00 2bg9A1 ARG 20 HG2 -0.49 0.00 0.21 -0.04 1.67 1.35 2bg9A1 ARG 20 HG3 -0.52 -0.07 0.11 -0.04 1.67 1.14 2bg9A1 ARG 20 HD2 -0.66 0.03 0.01 -0.04 3.22 2.57 2bg9A1 ARG 20 HD3 -0.89 0.02 0.02 -0.04 3.22 2.33 2bg9A1 PRO 21 HA -0.08 0.08 0.37 -0.51 4.44 4.29 2bg9A1 PRO 21 HB2 0.00 0.09 0.31 -0.04 2.28 2.64 2bg9A1 PRO 21 HB3 -0.00 -0.09 0.18 -0.04 2.02 2.06 2bg9A1 PRO 21 HG2 -0.01 0.02 0.06 -0.04 2.03 2.06 2bg9A1 PRO 21 HG3 0.04 0.03 0.05 -0.04 2.03 2.10 2bg9A1 PRO 21 HD2 -0.20 0.09 0.29 -0.04 3.68 3.81 2bg9A1 PRO 21 HD3 -0.06 0.30 0.12 -0.04 3.65 3.98 2bg9A1 VAL 22 H -0.19 1.07 0.56 -0.55 8.24 9.12 2bg9A1 VAL 22 HA -0.13 0.02 0.30 -0.75 4.13 3.57 2bg9A1 VAL 22 HB -0.07 -0.07 0.08 -0.04 2.12 2.02 2bg9A1 VAL 22 HG13 -0.03 0.01 -0.05 -0.04 0.97 0.86 2bg9A1 VAL 22 HG23 -0.22 0.12 0.13 -0.04 0.95 0.94 2bg9A1 GLU 23 H -0.04 0.21 0.08 -0.55 8.60 8.31 2bg9A1 GLU 23 HA -0.10 0.11 0.86 -0.75 4.29 4.41 2bg9A1 GLU 23 HB2 0.07 0.03 0.17 -0.04 2.09 2.33 2bg9A1 GLU 23 HB3 -0.64 -0.06 0.08 -0.04 1.99 1.32 2bg9A1 GLU 23 HG2 -0.05 0.13 -0.27 -0.04 2.34 2.11 2bg9A1 GLU 23 HG3 0.00 0.00 -0.01 -0.04 2.34 2.29 2bg9A1 HIS 24 H 0.17 0.13 -0.03 -0.55 8.41 8.14 2bg9A1 HIS 24 HA 0.03 0.01 0.30 -0.75 4.63 4.22 2bg9A1 HIS 24 HB2 -0.01 0.10 0.00 -0.04 3.26 3.31 2bg9A1 HIS 24 HB3 0.00 -0.04 0.08 -0.04 3.20 3.20 2bg9A1 HIS 24 HD2 -0.05 0.00 -0.09 -0.04 6.97 6.78 2bg9A1 HIS 24 HE1 -0.01 0.03 -0.04 -0.04 7.75 7.68 2bg9A1 HIS 25 H 0.20 0.12 0.09 -0.55 8.41 8.26 2bg9A1 HIS 25 HA 0.06 0.20 0.86 -0.75 4.63 4.99 2bg9A1 HIS 25 HB2 0.05 0.00 0.09 -0.04 3.26 3.37 2bg9A1 HIS 25 HB3 0.05 -0.05 0.22 -0.04 3.20 3.37 2bg9A1 HIS 25 HD2 0.04 -0.03 0.07 -0.04 6.97 7.00 2bg9A1 HIS 25 HE1 0.16 0.01 -0.05 -0.04 7.75 7.83 2bg9A1 THR 26 H 0.03 0.31 -0.05 -0.55 8.28 8.03 2bg9A1 THR 26 HA -0.35 0.13 0.46 -0.75 4.39 3.87 2bg9A1 THR 26 HB -0.10 -0.07 0.15 -0.04 4.32 4.26 2bg9A1 THR 26 HG23 -0.21 0.02 0.08 -0.04 1.22 1.07 2bg9A1 HIS 27 H -0.16 0.10 0.12 -0.55 8.41 7.93 2bg9A1 HIS 27 HA -0.96 0.01 0.28 -0.75 4.63 3.21 2bg9A1 HIS 27 HB2 -0.18 -0.03 0.15 -0.04 3.26 3.16 2bg9A1 HIS 27 HB3 -0.22 -0.08 0.17 -0.04 3.20 3.03 2bg9A1 HIS 27 HD2 -0.19 -0.11 -0.03 -0.04 6.97 6.60 2bg9A1 HIS 27 HE1 -0.02 -0.09 0.09 -0.04 7.75 7.69 2bg9A1 PHE 28 H -0.26 0.03 -0.64 -0.55 8.34 6.91 2bg9A1 PHE 28 HA -0.05 0.10 0.14 -0.75 4.62 4.06 2bg9A1 PHE 28 HB2 0.01 0.06 -0.08 -0.04 3.15 3.10 2bg9A1 PHE 28 HB3 0.06 -0.18 -0.64 -0.04 3.06 2.26 2bg9A1 PHE 28 HD2 0.08 0.07 -0.07 -0.04 7.28 7.32 2bg9A1 PHE 28 HE2 0.07 -0.16 -0.04 -0.04 7.38 7.21 2bg9A1 PHE 28 HZ 0.03 -0.15 -0.10 -0.04 7.32 7.06 2bg9A1 VAL 29 H 0.11 0.31 0.18 -0.55 8.24 8.30 2bg9A1 VAL 29 HA -0.15 0.12 0.72 -0.75 4.13 4.06 2bg9A1 VAL 29 HB 0.37 -0.07 0.07 -0.04 2.12 2.45 2bg9A1 VAL 29 HG13 0.09 0.03 -0.04 -0.04 0.97 1.01 2bg9A1 VAL 29 HG23 -0.20 0.06 0.04 -0.04 0.95 0.81 2bg9A1 ASP 30 H -0.03 0.14 0.12 -0.55 8.40 8.08 2bg9A1 ASP 30 HA 0.17 0.14 0.63 -0.75 4.63 4.82 2bg9A1 ASP 30 HB2 0.18 0.07 0.07 -0.04 2.71 2.99 2bg9A1 ASP 30 HB3 0.19 -0.08 0.21 -0.04 2.70 2.97 2bg9A1 ILE 31 H 0.22 0.55 0.38 -0.55 8.25 8.85 2bg9A1 ILE 31 HA 0.37 0.46 1.11 -0.75 4.18 5.36 2bg9A1 ILE 31 HB 0.23 -0.04 0.04 -0.04 1.89 2.08 2bg9A1 ILE 31 HG12 0.43 0.00 -0.11 -0.04 1.49 1.77 2bg9A1 ILE 31 HG13 0.46 0.14 -0.45 -0.04 1.21 1.32 2bg9A1 ILE 31 HG23 0.45 -0.03 -0.11 -0.04 0.93 1.20 2bg9A1 ILE 31 HD13 0.26 0.04 -0.20 -0.04 0.88 0.94 2bg9A1 THR 32 H 0.19 0.39 0.34 -0.55 8.28 8.66 2bg9A1 THR 32 HA 0.14 -0.06 1.30 -0.75 4.39 5.02 2bg9A1 THR 32 HB 0.07 -0.09 0.05 -0.04 4.32 4.31 2bg9A1 THR 32 HG23 0.07 0.07 -0.29 -0.04 1.22 1.03 2bg9A1 VAL 33 H 0.11 0.77 0.39 -0.55 8.24 8.96 2bg9A1 VAL 33 HA 0.09 0.24 0.86 -0.75 4.13 4.55 2bg9A1 VAL 33 HB 0.11 -0.05 -0.08 -0.04 2.12 2.06 2bg9A1 VAL 33 HG13 0.12 -0.03 -0.08 -0.04 0.97 0.93 2bg9A1 VAL 33 HG23 0.14 0.01 -0.09 -0.04 0.95 0.97 2bg9A1 GLY 34 H 0.03 0.21 0.05 -0.55 8.43 8.18 2bg9A1 GLY 34 HA2 0.04 -0.02 0.58 -0.51 4.01 4.10 2bg9A1 GLY 34 HA3 0.01 0.07 0.35 -0.51 4.01 3.93 2bg9A1 LEU 35 H 0.06 0.14 0.07 -0.55 8.37 8.10 2bg9A1 LEU 35 HA -0.01 0.23 0.85 -0.75 4.35 4.67 2bg9A1 LEU 35 HB2 0.16 -0.03 -0.04 -0.04 1.64 1.69 2bg9A1 LEU 35 HB3 0.14 0.01 0.07 -0.04 1.64 1.82 2bg9A1 LEU 35 HG 0.01 -0.01 -0.19 -0.04 1.64 1.41 2bg9A1 LEU 35 HD13 0.42 -0.00 -0.15 -0.04 0.93 1.16 2bg9A1 LEU 35 HD23 0.04 0.04 -0.56 -0.04 0.89 0.38 2bg9A1 GLN 36 H -0.04 0.35 0.15 -0.55 8.47 8.38 2bg9A1 GLN 36 HA -0.01 0.20 0.88 -0.75 4.36 4.68 2bg9A1 GLN 36 HB2 -0.02 0.02 -0.12 -0.04 2.15 1.99 2bg9A1 GLN 36 HB3 -0.04 -0.02 0.16 -0.04 2.02 2.08 2bg9A1 GLN 36 HG2 -0.01 0.04 -0.09 -0.04 2.40 2.29 2bg9A1 GLN 36 HG3 -0.02 -0.01 -0.08 -0.04 2.39 2.24 2bg9A1 GLN 36 HE21 -0.02 -0.02 -0.10 -0.04 6.97 6.78 2bg9A1 GLN 36 HE22 -0.02 -0.01 -0.08 -0.04 7.69 7.54 2bg9A1 LEU 37 H -0.01 0.16 -0.05 -0.55 8.37 7.93 2bg9A1 LEU 37 HA -0.02 0.46 0.71 -0.75 4.35 4.74 2bg9A1 LEU 37 HB2 0.00 -0.02 0.07 -0.04 1.64 1.66 2bg9A1 LEU 37 HB3 0.04 -0.01 -0.02 -0.04 1.64 1.61 2bg9A1 LEU 37 HG 0.05 -0.01 -0.05 -0.04 1.64 1.59 2bg9A1 LEU 37 HD13 0.17 -0.02 -0.10 -0.04 0.93 0.95 2bg9A1 LEU 37 HD23 0.10 -0.03 -0.20 -0.04 0.89 0.72 2bg9A1 ILE 38 H -0.03 0.21 0.15 -0.55 8.25 8.03 2bg9A1 ILE 38 HA -0.02 0.06 0.39 -0.75 4.18 3.86 2bg9A1 ILE 38 HB -0.02 -0.06 0.04 -0.04 1.89 1.80 2bg9A1 ILE 38 HG12 -0.03 -0.02 -0.02 -0.04 1.49 1.38 2bg9A1 ILE 38 HG13 -0.03 0.01 -0.00 -0.04 1.21 1.14 2bg9A1 ILE 38 HG23 -0.02 -0.01 -0.06 -0.04 0.93 0.80 2bg9A1 ILE 38 HD13 -0.06 0.08 -0.04 -0.04 0.88 0.82 2bg9A1 GLN 39 H -0.00 0.15 0.08 -0.55 8.47 8.15 2bg9A1 GLN 39 HA -0.00 0.32 0.29 -0.75 4.36 4.22 2bg9A1 GLN 39 HB2 -0.01 -0.10 -0.16 -0.04 2.15 1.84 2bg9A1 GLN 39 HB3 -0.02 -0.04 0.11 -0.04 2.02 2.03 2bg9A1 GLN 39 HG2 -0.02 0.02 0.31 -0.04 2.40 2.67 2bg9A1 GLN 39 HG3 -0.01 0.25 -0.37 -0.04 2.39 2.22 2bg9A1 GLN 39 HE21 -0.02 -0.07 0.00 -0.04 6.97 6.84 2bg9A1 GLN 39 HE22 -0.02 0.09 0.04 -0.04 7.69 7.76 2bg9A1 LEU 40 H -0.02 0.28 0.18 -0.55 8.37 8.26 2bg9A1 LEU 40 HA 0.07 0.06 1.10 -0.75 4.35 4.83 2bg9A1 LEU 40 HB2 0.02 -0.03 0.02 -0.04 1.64 1.60 2bg9A1 LEU 40 HB3 0.14 0.01 0.02 -0.04 1.64 1.78 2bg9A1 LEU 40 HG 0.02 0.19 0.06 -0.04 1.64 1.87 2bg9A1 LEU 40 HD13 0.24 -0.01 -0.04 -0.04 0.93 1.07 2bg9A1 LEU 40 HD23 0.12 -0.01 -0.40 -0.04 0.89 0.56 2bg9A1 ILE 41 H 0.07 0.59 0.39 -0.55 8.25 8.76 2bg9A1 ILE 41 HA 0.02 0.12 0.61 -0.75 4.18 4.17 2bg9A1 ILE 41 HB 0.03 -0.01 0.02 -0.04 1.89 1.89 2bg9A1 ILE 41 HG12 0.07 0.06 0.03 -0.04 1.49 1.61 2bg9A1 ILE 41 HG13 0.07 -0.11 0.25 -0.04 1.21 1.37 2bg9A1 ILE 41 HG23 0.03 -0.00 -0.11 -0.04 0.93 0.81 2bg9A1 ILE 41 HD13 0.05 -0.01 -0.06 -0.04 0.88 0.82 2bg9A1 ASN 42 H 0.09 0.28 0.29 -0.55 8.53 8.64 2bg9A1 ASN 42 HA 0.15 0.08 0.42 -0.75 4.76 4.65 2bg9A1 ASN 42 HB2 0.05 -0.08 -0.10 -0.04 2.88 2.72 2bg9A1 ASN 42 HB3 0.06 0.02 0.07 -0.04 2.79 2.90 2bg9A1 ASN 42 HD21 0.03 -0.02 -0.02 -0.04 7.03 6.98 2bg9A1 ASN 42 HD22 0.04 -0.14 -0.21 -0.04 7.74 7.38 2bg9A1 VAL 43 H 0.17 0.29 0.22 -0.55 8.24 8.37 2bg9A1 VAL 43 HA -0.02 0.39 1.06 -0.75 4.13 4.80 2bg9A1 VAL 43 HB -0.42 -0.04 -0.04 -0.04 2.12 1.58 2bg9A1 VAL 43 HG13 -0.41 0.00 -0.22 -0.04 0.97 0.31 2bg9A1 VAL 43 HG23 0.27 -0.02 -0.28 -0.04 0.95 0.87 2bg9A1 ASP 44 H -0.16 0.52 0.12 -0.55 8.40 8.34 2bg9A1 ASP 44 HA -0.11 0.20 0.92 -0.75 4.63 4.88 2bg9A1 ASP 44 HB2 -0.06 0.08 -0.06 -0.04 2.71 2.63 2bg9A1 ASP 44 HB3 -0.09 -0.13 0.21 -0.04 2.70 2.66 2bg9A1 GLU 45 H -0.27 0.25 0.09 -0.55 8.60 8.13 2bg9A1 GLU 45 HA -0.43 0.07 0.44 -0.75 4.29 3.63 2bg9A1 GLU 45 HB2 -0.44 -0.01 0.11 -0.04 2.09 1.71 2bg9A1 GLU 45 HB3 -0.17 0.04 0.14 -0.04 1.99 1.96 2bg9A1 GLU 45 HG2 -0.26 0.04 0.01 -0.04 2.34 2.09 2bg9A1 GLU 45 HG3 -1.11 0.00 0.06 -0.04 2.34 1.25 2bg9A1 VAL 46 H -0.14 0.14 -0.16 -0.55 8.24 7.54 2bg9A1 VAL 46 HA -0.12 0.06 0.35 -0.75 4.13 3.67 2bg9A1 VAL 46 HB -0.09 -0.02 0.03 -0.04 2.12 2.01 2bg9A1 VAL 46 HG13 -0.07 0.00 -0.23 -0.04 0.97 0.63 2bg9A1 VAL 46 HG23 -0.10 0.04 -0.61 -0.04 0.95 0.23 2bg9A1 ASN 47 H -0.10 0.05 -0.18 -0.55 8.53 7.75 2bg9A1 ASN 47 HA -0.07 0.18 0.77 -0.75 4.76 4.89 2bg9A1 ASN 47 HB2 -0.06 -0.05 0.08 -0.04 2.88 2.81 2bg9A1 ASN 47 HB3 -0.03 0.01 0.13 -0.04 2.79 2.85 2bg9A1 ASN 47 HD21 -0.04 0.03 -0.01 -0.04 7.03 6.96 2bg9A1 ASN 47 HD22 -0.04 -0.03 0.01 -0.04 7.74 7.64 2bg9A1 GLN 48 H -0.17 0.16 -0.41 -0.55 8.47 7.51 2bg9A1 GLN 48 HA -0.24 -0.06 0.26 -0.75 4.36 3.56 2bg9A1 GLN 48 HB2 -0.27 0.39 0.18 -0.04 2.15 2.42 2bg9A1 GLN 48 HB3 -0.22 -0.04 -0.04 -0.04 2.02 1.68 2bg9A1 GLN 48 HG2 -0.17 0.21 -0.54 -0.04 2.40 1.87 2bg9A1 GLN 48 HG3 -0.36 -0.11 0.12 -0.04 2.39 2.00 2bg9A1 GLN 48 HE21 -0.42 -0.08 -0.06 -0.04 6.97 6.36 2bg9A1 GLN 48 HE22 -0.70 0.06 -0.07 -0.04 7.69 6.94 2bg9A1 ILE 49 H -0.12 0.16 -0.11 -0.55 8.25 7.64 2bg9A1 ILE 49 HA -0.03 0.46 1.04 -0.75 4.18 4.89 2bg9A1 ILE 49 HB -0.04 -0.13 0.03 -0.04 1.89 1.71 2bg9A1 ILE 49 HG12 0.04 0.06 -0.04 -0.04 1.49 1.52 2bg9A1 ILE 49 HG13 0.00 0.33 -0.23 -0.04 1.21 1.28 2bg9A1 ILE 49 HG23 -0.03 -0.00 -0.16 -0.04 0.93 0.70 2bg9A1 ILE 49 HD13 -0.02 -0.03 -0.02 -0.04 0.88 0.76 2bg9A1 VAL 50 H -0.05 0.36 0.23 -0.55 8.24 8.23 2bg9A1 VAL 50 HA 0.01 0.35 1.18 -0.75 4.13 4.92 2bg9A1 VAL 50 HB 0.04 -0.09 -0.07 -0.04 2.12 1.96 2bg9A1 VAL 50 HG13 0.15 0.01 -0.27 -0.04 0.97 0.82 2bg9A1 VAL 50 HG23 -0.05 -0.02 -0.24 -0.04 0.95 0.60 2bg9A1 GLU 51 H 0.08 0.66 0.35 -0.55 8.60 9.14 2bg9A1 GLU 51 HA 0.13 0.48 1.00 -0.75 4.29 5.15 2bg9A1 GLU 51 HB2 0.05 0.01 0.04 -0.04 2.09 2.15 2bg9A1 GLU 51 HB3 0.07 -0.14 0.21 -0.04 1.99 2.09 2bg9A1 GLU 51 HG2 0.09 0.04 -0.06 -0.04 2.34 2.36 2bg9A1 GLU 51 HG3 0.06 0.01 -0.10 -0.04 2.34 2.27 2bg9A1 THR 52 H 0.31 0.48 0.28 -0.55 8.28 8.80 2bg9A1 THR 52 HA 0.11 0.10 1.29 -0.75 4.39 5.13 2bg9A1 THR 52 HB 0.14 0.08 -0.01 -0.04 4.32 4.49 2bg9A1 THR 52 HG23 0.22 -0.00 -0.32 -0.04 1.22 1.08 2bg9A1 ASN 53 H 0.04 0.90 0.48 -0.55 8.53 9.40 2bg9A1 ASN 53 HA -0.04 0.17 0.96 -0.75 4.76 5.10 2bg9A1 ASN 53 HB2 0.00 0.37 0.34 -0.04 2.88 3.55 2bg9A1 ASN 53 HB3 -0.02 -0.24 0.17 -0.04 2.79 2.65 2bg9A1 ASN 53 HD21 -0.00 0.02 -0.08 -0.04 7.03 6.92 2bg9A1 ASN 53 HD22 -0.00 -0.04 -0.12 -0.04 7.74 7.54 2bg9A1 VAL 54 H -0.16 1.26 0.22 -0.55 8.24 9.01 2bg9A1 VAL 54 HA -0.11 0.15 0.82 -0.75 4.13 4.24 2bg9A1 VAL 54 HB -0.21 -0.04 -0.20 -0.04 2.12 1.63 2bg9A1 VAL 54 HG13 -0.33 0.02 -0.50 -0.04 0.97 0.12 2bg9A1 VAL 54 HG23 -0.57 -0.03 -0.26 -0.04 0.95 0.06 2bg9A1 ARG 55 H -0.11 0.32 0.12 -0.55 8.46 8.23 2bg9A1 ARG 55 HA -0.16 0.14 0.80 -0.75 4.34 4.38 2bg9A1 ARG 55 HB2 -0.07 -0.01 0.20 -0.04 1.90 1.98 2bg9A1 ARG 55 HB3 -0.08 0.07 -0.02 -0.04 1.80 1.73 2bg9A1 ARG 55 HG2 -0.07 0.02 -0.02 -0.04 1.67 1.55 2bg9A1 ARG 55 HG3 -0.06 -0.04 -0.09 -0.04 1.67 1.44 2bg9A1 ARG 55 HD2 -0.04 -0.01 -0.01 -0.04 3.22 3.12 2bg9A1 ARG 55 HD3 -0.04 0.04 -0.01 -0.04 3.22 3.16 2bg9A1 LEU 56 H -0.30 0.47 -0.02 -0.55 8.37 7.97 2bg9A1 LEU 56 HA -0.15 0.18 1.16 -0.75 4.35 4.78 2bg9A1 LEU 56 HB2 -0.47 -0.06 -0.05 -0.04 1.64 1.03 2bg9A1 LEU 56 HB3 -0.42 0.06 0.03 -0.04 1.64 1.28 2bg9A1 LEU 56 HG -0.07 -0.10 -0.14 -0.04 1.64 1.28 2bg9A1 LEU 56 HD13 -0.06 -0.01 -0.13 -0.04 0.93 0.70 2bg9A1 LEU 56 HD23 -0.04 -0.05 -0.36 -0.04 0.89 0.39 2bg9A1 ARG 57 H -0.08 0.59 0.27 -0.55 8.46 8.69 2bg9A1 ARG 57 HA -0.09 0.06 0.62 -0.75 4.34 4.17 2bg9A1 ARG 57 HB2 -0.05 -0.03 0.01 -0.04 1.90 1.79 2bg9A1 ARG 57 HB3 -0.05 0.03 0.09 -0.04 1.80 1.83 2bg9A1 ARG 57 HG2 -0.02 -0.14 0.34 -0.04 1.67 1.82 2bg9A1 ARG 57 HG3 -0.02 0.00 -0.14 -0.04 1.67 1.47 2bg9A1 ARG 57 HD2 -0.02 0.06 -0.09 -0.04 3.22 3.13 2bg9A1 ARG 57 HD3 -0.00 -0.08 -0.04 -0.04 3.22 3.06 2bg9A1 GLN 58 H -0.12 0.57 0.32 -0.55 8.47 8.69 2bg9A1 GLN 58 HA 0.01 0.30 1.04 -0.75 4.36 4.96 2bg9A1 GLN 58 HB2 -0.00 0.18 0.28 -0.04 2.15 2.56 2bg9A1 GLN 58 HB3 0.33 -0.03 0.03 -0.04 2.02 2.31 2bg9A1 GLN 58 HG2 0.14 -0.05 -0.06 -0.04 2.40 2.39 2bg9A1 GLN 58 HG3 -0.10 -0.06 -0.37 -0.04 2.39 1.81 2bg9A1 GLN 58 HE21 -2.01 -0.06 -0.04 -0.04 6.97 4.82 2bg9A1 GLN 58 HE22 -0.78 0.22 -0.02 -0.04 7.69 7.07 2bg9A1 GLN 59 H -0.01 0.49 0.34 -0.55 8.47 8.74 2bg9A1 GLN 59 HA -0.59 0.36 1.22 -0.75 4.36 4.60 2bg9A1 GLN 59 HB2 -0.01 -0.08 0.08 -0.04 2.15 2.10 2bg9A1 GLN 59 HB3 -0.08 -0.00 0.05 -0.04 2.02 1.94 2bg9A1 GLN 59 HG2 -0.08 -0.01 -0.26 -0.04 2.40 2.02 2bg9A1 GLN 59 HG3 -0.06 -0.03 -0.08 -0.04 2.39 2.18 2bg9A1 GLN 59 HE21 -0.17 -0.12 -0.18 -0.04 6.97 6.46 2bg9A1 GLN 59 HE22 -0.17 -0.01 -0.00 -0.04 7.69 7.47 2bg9A1 TRP 60 H -0.37 0.52 0.39 -0.55 7.97 7.96 2bg9A1 TRP 60 HA 0.09 0.26 0.64 -0.75 4.62 4.86 2bg9A1 TRP 60 HB2 0.15 -0.01 0.05 -0.04 3.23 3.38 2bg9A1 TRP 60 HB3 0.13 0.11 0.04 -0.04 3.23 3.48 2bg9A1 TRP 60 HD1 0.10 -0.07 -0.43 -0.04 7.22 6.78 2bg9A1 TRP 60 HE1 0.08 -0.00 -0.16 -0.04 10.20 10.07 2bg9A1 TRP 60 HE3 0.11 0.07 -0.23 -0.04 7.59 7.50 2bg9A1 TRP 60 HZ2 0.10 -0.02 -0.21 -0.04 7.44 7.28 2bg9A1 TRP 60 HZ3 0.17 -0.05 -0.08 -0.04 7.13 7.13 2bg9A1 TRP 60 HH2 0.92 -0.02 -0.09 -0.04 7.19 7.96 2bg9A1 ILE 61 H 0.32 0.29 0.23 -0.55 8.25 8.54 2bg9A1 ILE 61 HA 0.19 0.18 1.09 -0.75 4.18 4.87 2bg9A1 ILE 61 HB 0.08 -0.02 -0.06 -0.04 1.89 1.85 2bg9A1 ILE 61 HG12 0.13 0.02 -0.04 -0.04 1.49 1.56 2bg9A1 ILE 61 HG13 0.17 0.05 0.17 -0.04 1.21 1.57 2bg9A1 ILE 61 HG23 0.05 0.00 -0.06 -0.04 0.93 0.87 2bg9A1 ILE 61 HD13 0.08 0.00 0.00 -0.04 0.88 0.92 2bg9A1 ASP 62 H 0.10 0.25 -0.07 -0.55 8.40 8.13 2bg9A1 ASP 62 HA 0.05 0.22 0.86 -0.75 4.63 5.01 2bg9A1 ASP 62 HB2 0.16 0.07 -0.08 -0.04 2.71 2.82 2bg9A1 ASP 62 HB3 0.03 0.02 0.21 -0.04 2.70 2.92 2bg9A1 VAL 63 H 0.01 0.29 -0.02 -0.55 8.24 7.97 2bg9A1 VAL 63 HA -0.06 0.07 0.35 -0.75 4.13 3.74 2bg9A1 VAL 63 HB -0.02 0.02 0.14 -0.04 2.12 2.21 2bg9A1 VAL 63 HG13 0.00 0.01 0.03 -0.04 0.97 0.97 2bg9A1 VAL 63 HG23 -0.01 0.01 -0.14 -0.04 0.95 0.77 2bg9A1 ARG 64 H -0.08 -0.03 -1.24 -0.55 8.46 6.56 2bg9A1 ARG 64 HA -0.12 0.11 0.56 -0.75 4.34 4.14 2bg9A1 ARG 64 HB2 -0.06 -0.04 -0.02 -0.04 1.90 1.74 2bg9A1 ARG 64 HB3 -0.09 0.08 0.02 -0.04 1.80 1.78 2bg9A1 ARG 64 HG2 -0.01 0.03 0.01 -0.04 1.67 1.66 2bg9A1 ARG 64 HG3 -0.02 -0.08 -0.09 -0.04 1.67 1.44 2bg9A1 ARG 64 HD2 0.01 -0.03 -0.06 -0.04 3.22 3.10 2bg9A1 ARG 64 HD3 0.05 0.06 -0.03 -0.04 3.22 3.27 2bg9A1 LEU 65 H -0.23 0.79 0.18 -0.55 8.37 8.56 2bg9A1 LEU 65 HA -0.80 0.18 0.74 -0.75 4.35 3.71 2bg9A1 LEU 65 HB2 -0.19 -0.02 0.13 -0.04 1.64 1.52 2bg9A1 LEU 65 HB3 -0.26 -0.03 0.12 -0.04 1.64 1.42 2bg9A1 LEU 65 HG -0.14 -0.10 0.02 -0.04 1.64 1.38 2bg9A1 LEU 65 HD13 0.01 -0.02 -0.00 -0.04 0.93 0.88 2bg9A1 LEU 65 HD23 -0.25 0.05 -0.17 -0.04 0.89 0.48 2bg9A1 ARG 66 H -0.39 0.04 -0.35 -0.55 8.46 7.21 2bg9A1 ARG 66 HA -0.24 0.07 0.17 -0.75 4.34 3.58 2bg9A1 ARG 66 HB2 -0.04 -0.09 0.20 -0.04 1.90 1.93 2bg9A1 ARG 66 HB3 -0.12 -0.04 0.22 -0.04 1.80 1.82 2bg9A1 ARG 66 HG2 -0.02 -0.06 -0.24 -0.04 1.67 1.30 2bg9A1 ARG 66 HG3 -0.04 -0.09 0.05 -0.04 1.67 1.54 2bg9A1 ARG 66 HD2 -0.14 0.93 0.32 -0.04 3.22 4.29 2bg9A1 ARG 66 HD3 -0.39 -0.24 -0.18 -0.04 3.22 2.38 2bg9A1 TRP 67 H 0.19 0.38 0.22 -0.55 7.97 8.22 2bg9A1 TRP 67 HA 0.06 0.21 0.86 -0.75 4.62 5.00 2bg9A1 TRP 67 HB2 0.20 0.06 0.01 -0.04 3.23 3.45 2bg9A1 TRP 67 HB3 0.07 -0.32 0.18 -0.04 3.23 3.12 2bg9A1 TRP 67 HD1 0.08 0.00 -0.27 -0.04 7.22 6.98 2bg9A1 TRP 67 HE1 0.00 -0.04 -0.11 -0.04 10.20 10.02 2bg9A1 TRP 67 HE3 0.03 -0.16 0.16 -0.04 7.59 7.57 2bg9A1 TRP 67 HZ2 -0.05 -0.03 -0.05 -0.04 7.44 7.27 2bg9A1 TRP 67 HZ3 0.01 -0.08 0.00 -0.04 7.13 7.01 2bg9A1 TRP 67 HH2 -0.03 0.01 0.00 -0.04 7.19 7.13 2bg9A1 ASN 68 H 0.26 0.09 0.16 -0.55 8.53 8.49 2bg9A1 ASN 68 HA 0.03 0.25 0.75 -0.75 4.76 5.03 2bg9A1 ASN 68 HB2 0.03 0.07 0.13 -0.04 2.88 3.06 2bg9A1 ASN 68 HB3 0.11 0.06 -0.05 -0.04 2.79 2.87 2bg9A1 ASN 68 HD21 -0.06 -0.00 0.00 -0.04 7.03 6.93 2bg9A1 ASN 68 HD22 -0.02 0.04 0.04 -0.04 7.74 7.76 2bg9A1 PRO 69 HA -0.37 -0.02 0.51 -0.51 4.44 4.05 2bg9A1 PRO 69 HB2 -0.13 0.05 0.04 -0.04 2.28 2.20 2bg9A1 PRO 69 HB3 -0.14 0.08 0.15 -0.04 2.02 2.06 2bg9A1 PRO 69 HG2 -0.10 0.07 0.09 -0.04 2.03 2.05 2bg9A1 PRO 69 HG3 -0.20 0.07 0.10 -0.04 2.03 1.96 2bg9A1 PRO 69 HD2 -0.09 0.14 0.20 -0.04 3.68 3.89 2bg9A1 PRO 69 HD3 -0.13 0.18 0.20 -0.04 3.65 3.85 2bg9A1 ALA 70 H -0.15 0.04 -0.77 -0.55 8.40 6.98 2bg9A1 ALA 70 HA -0.14 0.26 0.78 -0.75 4.34 4.49 2bg9A1 ALA 70 HB3 -0.16 0.02 0.00 -0.04 1.41 1.23 2bg9A1 ASP 71 H -0.14 -0.02 -0.14 -0.55 8.40 7.55 2bg9A1 ASP 71 HA -0.27 0.17 0.52 -0.75 4.63 4.30 2bg9A1 ASP 71 HB2 -1.07 -0.04 -0.28 -0.04 2.71 1.28 2bg9A1 ASP 71 HB3 -0.68 -0.01 -0.01 -0.04 2.70 1.96 2bg9A1 TYR 72 H 0.13 0.35 0.19 -0.55 8.29 8.42 2bg9A1 TYR 72 HA 0.18 0.38 0.52 -0.75 4.56 4.89 2bg9A1 TYR 72 HB2 0.30 0.01 0.12 -0.04 3.06 3.45 2bg9A1 TYR 72 HB3 0.32 0.01 0.03 -0.04 2.98 3.30 2bg9A1 TYR 72 HD2 0.18 0.13 -0.33 -0.04 7.15 7.09 2bg9A1 TYR 72 HE2 0.06 0.01 -0.08 -0.04 6.85 6.79 2bg9A1 GLY 73 H -0.32 0.15 0.01 -0.55 8.43 7.73 2bg9A1 GLY 73 HA2 -0.10 0.04 0.31 -0.51 4.01 3.75 2bg9A1 GLY 73 HA3 -0.22 0.04 0.33 -0.51 4.01 3.65 2bg9A1 GLY 74 H -0.03 -0.12 -0.90 -0.55 8.43 6.84 2bg9A1 GLY 74 HA2 -0.02 0.03 0.29 -0.51 4.01 3.80 2bg9A1 GLY 74 HA3 -0.02 0.04 0.06 -0.51 4.01 3.58 2bg9A1 ILE 75 H 0.09 0.27 -0.43 -0.55 8.25 7.63 2bg9A1 ILE 75 HA 0.07 0.03 0.41 -0.75 4.18 3.93 2bg9A1 ILE 75 HB 0.03 0.04 0.06 -0.04 1.89 1.98 2bg9A1 ILE 75 HG12 0.02 -0.16 -0.62 -0.04 1.49 0.68 2bg9A1 ILE 75 HG13 0.04 0.09 -0.10 -0.04 1.21 1.19 2bg9A1 ILE 75 HG23 0.03 0.07 0.06 -0.04 0.93 1.04 2bg9A1 ILE 75 HD13 0.02 -0.01 -0.07 -0.04 0.88 0.78 2bg9A1 LYS 76 H 0.18 0.15 0.01 -0.55 8.42 8.21 2bg9A1 LYS 76 HA 0.23 -0.03 0.40 -0.75 4.32 4.17 2bg9A1 LYS 76 HB2 0.11 0.02 0.10 -0.04 1.87 2.06 2bg9A1 LYS 76 HB3 -0.01 -0.05 0.07 -0.04 1.79 1.75 2bg9A1 LYS 76 HG2 -0.62 -0.01 -0.05 -0.04 1.46 0.74 2bg9A1 LYS 76 HG3 0.10 -0.03 0.05 -0.04 1.46 1.54 2bg9A1 LYS 76 HD2 0.06 0.02 0.02 -0.04 1.69 1.75 2bg9A1 LYS 76 HD3 -0.09 0.02 0.04 -0.04 1.68 1.61 2bg9A1 LYS 76 HE2 -0.60 -0.05 0.01 -0.04 2.99 2.31 2bg9A1 LYS 76 HE3 0.14 -0.01 0.01 -0.04 2.99 3.09 2bg9A1 LYS 77 H -0.09 0.01 0.12 -0.55 8.42 7.90 2bg9A1 LYS 77 HA -0.11 0.27 0.97 -0.75 4.32 4.70 2bg9A1 LYS 77 HB2 -0.11 0.07 0.03 -0.04 1.87 1.82 2bg9A1 LYS 77 HB3 -0.26 -0.15 0.08 -0.04 1.79 1.41 2bg9A1 LYS 77 HG2 -0.09 -0.08 0.09 -0.04 1.46 1.34 2bg9A1 LYS 77 HG3 -0.05 0.05 -0.08 -0.04 1.46 1.34 2bg9A1 LYS 77 HD2 -0.11 -0.05 -0.02 -0.04 1.69 1.47 2bg9A1 LYS 77 HD3 -0.05 -0.01 -0.03 -0.04 1.68 1.54 2bg9A1 LYS 77 HE2 -0.04 0.02 -0.11 -0.04 2.99 2.82 2bg9A1 LYS 77 HE3 -0.08 0.04 -0.09 -0.04 2.99 2.82 2bg9A1 ILE 78 H 0.00 0.45 0.36 -0.55 8.25 8.52 2bg9A1 ILE 78 HA 0.01 0.14 0.81 -0.75 4.18 4.39 2bg9A1 ILE 78 HB 0.04 -0.07 0.05 -0.04 1.89 1.88 2bg9A1 ILE 78 HG12 0.10 0.15 -0.15 -0.04 1.49 1.54 2bg9A1 ILE 78 HG13 0.09 -0.09 -0.05 -0.04 1.21 1.12 2bg9A1 ILE 78 HG23 0.03 0.08 -0.09 -0.04 0.93 0.91 2bg9A1 ILE 78 HD13 0.11 -0.01 -0.11 -0.04 0.88 0.83 2bg9A1 ARG 79 H 0.02 0.16 0.16 -0.55 8.46 8.25 2bg9A1 ARG 79 HA 0.02 0.35 1.03 -0.75 4.34 4.98 2bg9A1 ARG 79 HB2 0.02 -0.03 0.03 -0.04 1.90 1.87 2bg9A1 ARG 79 HB3 0.02 -0.03 0.18 -0.04 1.80 1.93 2bg9A1 ARG 79 HG2 0.02 -0.03 -0.29 -0.04 1.67 1.34 2bg9A1 ARG 79 HG3 0.02 0.08 -0.05 -0.04 1.67 1.68 2bg9A1 ARG 79 HD2 0.02 -0.03 -0.07 -0.04 3.22 3.11 2bg9A1 ARG 79 HD3 0.02 -0.01 -0.06 -0.04 3.22 3.13 2bg9A1 LEU 80 H 0.03 0.55 0.30 -0.55 8.37 8.70 2bg9A1 LEU 80 HA 0.04 0.16 0.81 -0.75 4.35 4.61 2bg9A1 LEU 80 HB2 0.05 0.07 -0.00 -0.04 1.64 1.72 2bg9A1 LEU 80 HB3 0.07 -0.01 -0.07 -0.04 1.64 1.58 2bg9A1 LEU 80 HG 0.03 0.00 -0.09 -0.04 1.64 1.55 2bg9A1 LEU 80 HD13 0.03 -0.02 -0.32 -0.04 0.93 0.58 2bg9A1 LEU 80 HD23 0.05 0.01 -0.11 -0.04 0.89 0.80 2bg9A1 PRO 81 HA -0.00 0.03 0.77 -0.51 4.44 4.73 2bg9A1 PRO 81 HB2 0.02 -0.04 0.02 -0.04 2.28 2.24 2bg9A1 PRO 81 HB3 0.02 0.06 0.04 -0.04 2.02 2.10 2bg9A1 PRO 81 HG2 0.03 0.03 0.03 -0.04 2.03 2.08 2bg9A1 PRO 81 HG3 0.03 0.04 -0.06 -0.04 2.03 1.99 2bg9A1 PRO 81 HD2 0.04 0.09 0.19 -0.04 3.68 3.96 2bg9A1 PRO 81 HD3 0.03 0.24 0.19 -0.04 3.65 4.07 2bg9A1 SER 82 H -0.08 0.58 0.32 -0.55 8.46 8.73 2bg9A1 SER 82 HA -0.24 0.07 0.23 -0.75 4.49 3.80 2bg9A1 SER 82 HB2 -0.52 0.06 0.02 -0.04 3.95 3.47 2bg9A1 SER 82 HB3 -0.14 -0.16 0.21 -0.04 3.93 3.79 2bg9A1 ASP 83 H -0.05 0.04 0.02 -0.55 8.40 7.86 2bg9A1 ASP 83 HA -0.01 0.00 0.38 -0.75 4.63 4.25 2bg9A1 ASP 83 HB2 0.03 -0.01 -0.02 -0.04 2.71 2.68 2bg9A1 ASP 83 HB3 0.02 0.02 0.00 -0.04 2.70 2.70 2bg9A1 ASP 84 H 0.06 0.12 -0.09 -0.55 8.40 7.94 2bg9A1 ASP 84 HA 0.09 -0.12 0.40 -0.75 4.63 4.25 2bg9A1 ASP 84 HB2 0.16 0.12 0.02 -0.04 2.71 2.97 2bg9A1 ASP 84 HB3 0.53 -0.01 0.08 -0.04 2.70 3.26 2bg9A1 VAL 85 H -0.01 0.55 -0.65 -0.55 8.24 7.57 2bg9A1 VAL 85 HA 0.10 0.18 0.87 -0.75 4.13 4.54 2bg9A1 VAL 85 HB -0.19 -0.11 -0.16 -0.04 2.12 1.61 2bg9A1 VAL 85 HG13 0.08 -0.04 -0.37 -0.04 0.97 0.60 2bg9A1 VAL 85 HG23 0.09 0.03 -0.14 -0.04 0.95 0.89 2bg9A1 TRP 86 H 0.11 0.17 0.09 -0.55 7.97 7.79 2bg9A1 TRP 86 HA -0.13 0.05 0.55 -0.75 4.62 4.34 2bg9A1 TRP 86 HB2 -0.16 0.25 -0.01 -0.04 3.23 3.27 2bg9A1 TRP 86 HB3 -0.30 -0.05 0.18 -0.04 3.23 3.01 2bg9A1 TRP 86 HD1 -0.15 0.04 -0.08 -0.04 7.22 7.00 2bg9A1 TRP 86 HE1 -0.48 -0.05 -0.10 -0.04 10.20 9.53 2bg9A1 TRP 86 HE3 -0.44 0.04 0.00 -0.04 7.59 7.15 2bg9A1 TRP 86 HZ2 -0.87 -0.06 -0.11 -0.04 7.44 6.35 2bg9A1 TRP 86 HZ3 -0.22 0.01 -0.05 -0.04 7.13 6.83 2bg9A1 TRP 86 HH2 -0.21 -0.02 -0.06 -0.04 7.19 6.87 2bg9A1 LEU 87 H -0.14 0.00 0.07 -0.55 8.37 7.75 2bg9A1 LEU 87 HA -0.04 0.15 0.44 -0.75 4.35 4.14 2bg9A1 LEU 87 HB2 0.38 -0.00 -0.10 -0.04 1.64 1.87 2bg9A1 LEU 87 HB3 0.25 0.02 -0.06 -0.04 1.64 1.81 2bg9A1 LEU 87 HG 0.18 -0.07 0.01 -0.04 1.64 1.71 2bg9A1 LEU 87 HD13 -0.03 0.09 0.01 -0.04 0.93 0.96 2bg9A1 LEU 87 HD23 -0.01 -0.02 0.13 -0.04 0.89 0.95 2bg9A1 PRO 88 HA -0.47 -0.02 0.37 -0.51 4.44 3.82 2bg9A1 PRO 88 HB2 -0.01 -0.07 -0.11 -0.04 2.28 2.05 2bg9A1 PRO 88 HB3 -0.38 0.07 0.02 -0.04 2.02 1.69 2bg9A1 PRO 88 HG2 0.11 -0.05 0.05 -0.04 2.03 2.11 2bg9A1 PRO 88 HG3 0.15 0.08 -0.01 -0.04 2.03 2.20 2bg9A1 PRO 88 HD2 0.16 0.08 0.15 -0.04 3.68 4.03 2bg9A1 PRO 88 HD3 -0.81 0.26 0.16 -0.04 3.65 3.22 2bg9A1 ASP 89 H 0.20 0.08 0.13 -0.55 8.40 8.27 2bg9A1 ASP 89 HA 0.18 0.18 0.60 -0.75 4.63 4.84 2bg9A1 ASP 89 HB2 0.57 0.09 0.20 -0.04 2.71 3.53 2bg9A1 ASP 89 HB3 0.02 0.10 0.18 -0.04 2.70 2.96 2bg9A1 LEU 90 H 0.13 0.58 0.03 -0.55 8.37 8.56 2bg9A1 LEU 90 HA 0.16 -0.04 0.23 -0.75 4.35 3.95 2bg9A1 LEU 90 HB2 0.00 -0.02 -0.04 -0.04 1.64 1.54 2bg9A1 LEU 90 HB3 0.15 -0.07 -0.07 -0.04 1.64 1.60 2bg9A1 LEU 90 HG 0.14 0.28 0.03 -0.04 1.64 2.05 2bg9A1 LEU 90 HD13 0.37 -0.01 -0.05 -0.04 0.93 1.20 2bg9A1 LEU 90 HD23 0.16 -0.02 -0.11 -0.04 0.89 0.88 2bg9A1 VAL 91 H 0.14 0.21 0.10 -0.55 8.24 8.13 2bg9A1 VAL 91 HA -0.15 0.04 0.58 -0.75 4.13 3.84 2bg9A1 VAL 91 HB 0.12 0.06 -0.06 -0.04 2.12 2.20 2bg9A1 VAL 91 HG13 -0.19 -0.02 -0.36 -0.04 0.97 0.36 2bg9A1 VAL 91 HG23 -0.38 0.03 -0.21 -0.04 0.95 0.35 2bg9A1 LEU 92 H -0.10 0.15 0.10 -0.55 8.37 7.97 2bg9A1 LEU 92 HA -0.08 0.24 0.71 -0.75 4.35 4.46 2bg9A1 LEU 92 HB2 -0.10 -0.17 0.24 -0.04 1.64 1.57 2bg9A1 LEU 92 HB3 -0.09 0.04 0.09 -0.04 1.64 1.63 2bg9A1 LEU 92 HG -0.06 -0.05 0.07 -0.04 1.64 1.56 2bg9A1 LEU 92 HD13 0.17 0.01 -0.09 -0.04 0.93 0.98 2bg9A1 LEU 92 HD23 0.12 0.02 -0.05 -0.04 0.89 0.93 2bg9A1 TYR 93 H 0.15 0.47 0.28 -0.55 8.29 8.64 2bg9A1 TYR 93 HA -0.03 0.10 0.27 -0.75 4.56 4.15 2bg9A1 TYR 93 HB2 -0.04 -0.21 0.22 -0.04 3.06 2.99 2bg9A1 TYR 93 HB3 0.00 0.03 0.03 -0.04 2.98 3.00 2bg9A1 TYR 93 HD2 -0.00 0.00 -0.01 -0.04 7.15 7.10 2bg9A1 TYR 93 HE2 -0.09 0.07 -0.09 -0.04 6.85 6.70 2bg9A1 ASN 94 H 0.09 0.02 0.10 -0.55 8.53 8.20 2bg9A1 ASN 94 HA 0.06 0.16 0.63 -0.75 4.76 4.85 2bg9A1 ASN 94 HB2 -0.00 0.01 0.22 -0.04 2.88 3.06 2bg9A1 ASN 94 HB3 0.03 -0.05 0.14 -0.04 2.79 2.87 2bg9A1 ASN 94 HD21 -0.07 0.44 0.15 -0.04 7.03 7.51 2bg9A1 ASN 94 HD22 -0.02 -0.06 0.08 -0.04 7.74 7.70 2bg9A1 ASN 95 H 0.02 0.06 -0.99 -0.55 8.53 7.07 2bg9A1 ASN 95 HA 0.26 0.26 0.88 -0.75 4.76 5.41 2bg9A1 ASN 95 HB2 -0.09 -0.22 0.25 -0.04 2.88 2.78 2bg9A1 ASN 95 HB3 -0.05 -0.20 0.20 -0.04 2.79 2.69 2bg9A1 ASN 95 HD21 -0.12 -0.19 0.06 -0.04 7.03 6.74 2bg9A1 ASN 95 HD22 -0.05 -0.04 -0.49 -0.04 7.74 7.12 2bg9A1 ALA 96 H -0.18 -0.02 0.23 -0.55 8.40 7.88 2bg9A1 ALA 96 HA -0.26 -0.06 0.47 -0.75 4.34 3.73 2bg9A1 ALA 96 HB3 -0.21 0.13 0.10 -0.04 1.41 1.40 2bg9A1 ASP 97 H -0.23 -0.03 -0.33 -0.55 8.40 7.26 2bg9A1 ASP 97 HA -0.32 0.07 0.23 -0.75 4.63 3.85 2bg9A1 ASP 97 HB2 -0.30 -0.01 -0.11 -0.04 2.71 2.25 2bg9A1 ASP 97 HB3 -0.19 -0.02 -0.27 -0.04 2.70 2.17 2bg9A1 GLY 98 H -0.29 0.12 -0.61 -0.55 8.43 7.11 2bg9A1 GLY 98 HA2 -0.11 0.13 0.90 -0.51 4.01 4.42 2bg9A1 GLY 98 HA3 -0.11 -0.10 0.29 -0.51 4.01 3.58 2bg9A1 ASP 99 H -0.00 0.09 0.17 -0.55 8.40 8.11 2bg9A1 ASP 99 HA -0.00 0.08 0.49 -0.75 4.63 4.44 2bg9A1 ASP 99 HB2 0.10 -0.03 0.07 -0.04 2.71 2.81 2bg9A1 ASP 99 HB3 0.15 0.06 0.10 -0.04 2.70 2.97 2bg9A1 PHE 100 H 0.16 0.11 0.20 -0.55 8.34 8.25 2bg9A1 PHE 100 HA 0.19 0.03 0.46 -0.75 4.62 4.54 2bg9A1 PHE 100 HB2 -0.02 -0.00 0.18 -0.04 3.15 3.27 2bg9A1 PHE 100 HB3 -0.08 -0.04 -0.06 -0.04 3.06 2.84 2bg9A1 PHE 100 HD2 0.08 0.01 -0.02 -0.04 7.28 7.31 2bg9A1 PHE 100 HE2 -0.16 -0.02 -0.10 -0.04 7.38 7.07 2bg9A1 PHE 100 HZ -0.02 -0.05 -0.14 -0.04 7.32 7.08 2bg9A1 ALA 101 H 0.18 0.23 0.18 -0.55 8.40 8.44 2bg9A1 ALA 101 HA 0.13 0.06 1.03 -0.75 4.34 4.81 2bg9A1 ALA 101 HB3 0.11 0.21 0.25 -0.04 1.41 1.93 2bg9A1 ILE 102 H 0.11 0.09 0.15 -0.55 8.25 8.06 2bg9A1 ILE 102 HA 0.10 -0.01 0.25 -0.75 4.18 3.77 2bg9A1 ILE 102 HB -0.01 0.52 0.42 -0.04 1.89 2.78 2bg9A1 ILE 102 HG12 0.06 -0.07 -0.07 -0.04 1.49 1.37 2bg9A1 ILE 102 HG13 0.04 -0.18 -0.94 -0.04 1.21 0.09 2bg9A1 ILE 102 HG23 0.05 -0.03 0.10 -0.04 0.93 1.02 2bg9A1 ILE 102 HD13 0.02 0.00 -0.01 -0.04 0.88 0.85 2bg9A1 VAL 103 H -0.03 -0.02 -0.13 -0.55 8.24 7.51 2bg9A1 VAL 103 HA -0.14 0.16 0.36 -0.75 4.13 3.75 2bg9A1 VAL 103 HB -0.15 -0.01 -0.02 -0.04 2.12 1.90 2bg9A1 VAL 103 HG13 -0.02 0.00 -0.24 -0.04 0.97 0.67 2bg9A1 VAL 103 HG23 -0.25 0.01 -0.10 -0.04 0.95 0.56 2bg9A1 HIS 104 H -0.03 -0.09 -0.03 -0.55 8.41 7.72 2bg9A1 HIS 104 HA 0.30 0.09 0.34 -0.75 4.63 4.61 2bg9A1 HIS 104 HB2 0.12 0.04 -0.01 -0.04 3.26 3.37 2bg9A1 HIS 104 HB3 0.13 -0.04 0.12 -0.04 3.20 3.37 2bg9A1 HIS 104 HD2 0.11 -0.04 0.08 -0.04 6.97 7.08 2bg9A1 HIS 104 HE1 0.13 0.03 0.03 -0.04 7.75 7.89 2bg9A1 MET 105 H 0.23 0.06 0.13 -0.55 8.47 8.36 2bg9A1 MET 105 HA 0.09 -0.06 0.42 -0.75 4.52 4.22 2bg9A1 MET 105 HB2 0.07 0.02 0.13 -0.04 2.15 2.34 2bg9A1 MET 105 HB3 0.10 -0.04 0.13 -0.04 2.03 2.17 2bg9A1 MET 105 HG2 0.10 0.09 0.10 -0.04 2.63 2.88 2bg9A1 MET 105 HG3 0.08 -0.01 0.01 -0.04 2.56 2.59 2bg9A1 MET 105 HE3 0.07 0.00 -0.05 -0.04 2.10 2.09 2bg9A1 THR 106 H 0.14 0.02 -0.04 -0.55 8.28 7.85 2bg9A1 THR 106 HA 0.12 0.17 0.83 -0.75 4.39 4.75 2bg9A1 THR 106 HB 0.45 -0.01 0.03 -0.04 4.32 4.76 2bg9A1 THR 106 HG23 0.16 -0.12 0.17 -0.04 1.22 1.38 2bg9A1 LYS 107 H 0.11 0.19 0.17 -0.55 8.42 8.33 2bg9A1 LYS 107 HA -0.01 0.03 1.32 -0.75 4.32 4.91 2bg9A1 LYS 107 HB2 0.03 0.12 -0.03 -0.04 1.87 1.94 2bg9A1 LYS 107 HB3 0.03 -0.02 -0.16 -0.04 1.79 1.60 2bg9A1 LYS 107 HG2 0.06 -0.07 0.06 -0.04 1.46 1.47 2bg9A1 LYS 107 HG3 0.04 0.05 -0.12 -0.04 1.46 1.39 2bg9A1 LYS 107 HD2 0.03 0.02 -0.08 -0.04 1.69 1.62 2bg9A1 LYS 107 HD3 0.04 -0.01 -0.10 -0.04 1.68 1.57 2bg9A1 LYS 107 HE2 0.04 0.00 -0.01 -0.04 2.99 2.98 2bg9A1 LYS 107 HE3 0.04 0.00 -0.02 -0.04 2.99 2.98 2bg9A1 LEU 108 H 0.01 0.81 0.39 -0.55 8.37 9.02 2bg9A1 LEU 108 HA 0.04 0.13 0.91 -0.75 4.35 4.68 2bg9A1 LEU 108 HB2 0.01 -0.02 0.03 -0.04 1.64 1.61 2bg9A1 LEU 108 HB3 0.01 0.68 0.44 -0.04 1.64 2.72 2bg9A1 LEU 108 HG -0.15 -0.03 -0.21 -0.04 1.64 1.21 2bg9A1 LEU 108 HD13 0.08 -0.02 -0.19 -0.04 0.93 0.76 2bg9A1 LEU 108 HD23 -0.31 -0.16 -0.49 -0.04 0.89 -0.12 2bg9A1 LEU 109 H -0.02 0.30 0.36 -0.55 8.37 8.47 2bg9A1 LEU 109 HA 0.00 0.38 1.30 -0.75 4.35 5.28 2bg9A1 LEU 109 HB2 -0.04 -0.09 0.13 -0.04 1.64 1.60 2bg9A1 LEU 109 HB3 -0.03 0.03 0.01 -0.04 1.64 1.61 2bg9A1 LEU 109 HG -0.00 -0.07 -0.27 -0.04 1.64 1.26 2bg9A1 LEU 109 HD13 -0.02 -0.02 -0.09 -0.04 0.93 0.77 2bg9A1 LEU 109 HD23 0.00 0.05 -0.18 -0.04 0.89 0.73 2bg9A1 LEU 110 H 0.01 0.47 0.35 -0.55 8.37 8.65 2bg9A1 LEU 110 HA -0.02 0.32 0.96 -0.75 4.35 4.86 2bg9A1 LEU 110 HB2 0.03 -0.02 -0.01 -0.04 1.64 1.60 2bg9A1 LEU 110 HB3 0.07 -0.05 0.10 -0.04 1.64 1.71 2bg9A1 LEU 110 HG 0.05 0.05 -0.22 -0.04 1.64 1.48 2bg9A1 LEU 110 HD13 -0.09 -0.06 0.02 -0.04 0.93 0.76 2bg9A1 LEU 110 HD23 -0.01 0.03 -0.02 -0.04 0.89 0.86 2bg9A1 ASP 111 H -0.05 0.29 0.04 -0.55 8.40 8.13 2bg9A1 ASP 111 HA -0.22 0.17 0.71 -0.75 4.63 4.53 2bg9A1 ASP 111 HB2 -0.04 -0.16 0.08 -0.04 2.71 2.55 2bg9A1 ASP 111 HB3 -0.16 -0.11 0.11 -0.04 2.70 2.50 2bg9A1 TYR 112 H -0.75 0.11 0.05 -0.55 8.29 7.14 2bg9A1 TYR 112 HA 0.14 0.17 0.35 -0.75 4.56 4.46 2bg9A1 TYR 112 HB2 -0.82 0.02 -0.05 -0.04 3.06 2.16 2bg9A1 TYR 112 HB3 -0.66 0.04 0.09 -0.04 2.98 2.41 2bg9A1 TYR 112 HD2 -0.21 -0.07 0.01 -0.04 7.15 6.84 2bg9A1 TYR 112 HE2 -0.08 0.01 0.01 -0.04 6.85 6.74 2bg9A1 THR 113 H 0.22 -0.13 -0.58 -0.55 8.28 7.24 2bg9A1 THR 113 HA 0.04 0.18 0.73 -0.75 4.39 4.59 2bg9A1 THR 113 HB 0.10 -0.09 0.06 -0.04 4.32 4.34 2bg9A1 THR 113 HG23 0.00 -0.01 -0.21 -0.04 1.22 0.96 2bg9A1 GLY 114 H -0.01 -0.06 -0.10 -0.55 8.43 7.72 2bg9A1 GLY 114 HA2 -0.14 0.23 0.09 -0.51 4.01 3.68 2bg9A1 GLY 114 HA3 -0.08 0.09 0.45 -0.51 4.01 3.96 2bg9A1 LYS 115 H -0.00 0.03 -0.00 -0.55 8.42 7.89 2bg9A1 LYS 115 HA 0.01 0.04 0.44 -0.75 4.32 4.05 2bg9A1 LYS 115 HB2 0.00 -0.02 0.11 -0.04 1.87 1.93 2bg9A1 LYS 115 HB3 -0.02 -0.11 0.11 -0.04 1.79 1.73 2bg9A1 LYS 115 HG2 -0.06 0.16 -0.24 -0.04 1.46 1.27 2bg9A1 LYS 115 HG3 -0.02 0.01 -0.01 -0.04 1.46 1.40 2bg9A1 LYS 115 HD2 -0.01 -0.02 -0.03 -0.04 1.69 1.58 2bg9A1 LYS 115 HD3 -0.03 -0.06 -0.07 -0.04 1.68 1.48 2bg9A1 LYS 115 HE2 -0.07 0.04 -0.17 -0.04 2.99 2.76 2bg9A1 LYS 115 HE3 -0.04 0.02 -0.08 -0.04 2.99 2.85 2bg9A1 ILE 116 H -0.07 0.46 0.45 -0.55 8.25 8.55 2bg9A1 ILE 116 HA -0.08 0.48 1.42 -0.75 4.18 5.23 2bg9A1 ILE 116 HB -0.13 -0.03 -0.10 -0.04 1.89 1.58 2bg9A1 ILE 116 HG12 0.10 0.06 0.04 -0.04 1.49 1.64 2bg9A1 ILE 116 HG13 0.13 0.13 0.10 -0.04 1.21 1.53 2bg9A1 ILE 116 HG23 0.03 -0.00 -0.02 -0.04 0.93 0.90 2bg9A1 ILE 116 HD13 0.54 -0.02 -0.10 -0.04 0.88 1.26 2bg9A1 MET 117 H -0.13 0.28 0.38 -0.55 8.47 8.46 2bg9A1 MET 117 HA -0.37 0.36 1.06 -0.75 4.52 4.83 2bg9A1 MET 117 HB2 -0.12 -0.02 0.00 -0.04 2.15 1.97 2bg9A1 MET 117 HB3 -0.08 -0.06 0.12 -0.04 2.03 1.96 2bg9A1 MET 117 HG2 -0.05 -0.05 -0.17 -0.04 2.63 2.32 2bg9A1 MET 117 HG3 -0.13 0.08 0.03 -0.04 2.56 2.50 2bg9A1 MET 117 HE3 -0.03 -0.00 -0.06 -0.04 2.10 1.96 2bg9A1 TRP 118 H -0.19 0.62 0.25 -0.55 7.97 8.10 2bg9A1 TRP 118 HA -0.06 0.15 0.77 -0.75 4.62 4.74 2bg9A1 TRP 118 HB2 0.08 0.01 -0.05 -0.04 3.23 3.23 2bg9A1 TRP 118 HB3 -0.11 -0.03 0.19 -0.04 3.23 3.24 2bg9A1 TRP 118 HD1 0.02 0.03 -0.00 -0.04 7.22 7.23 2bg9A1 TRP 118 HE1 0.05 0.07 -0.00 -0.04 10.20 10.28 2bg9A1 TRP 118 HE3 0.77 0.01 -0.08 -0.04 7.59 8.25 2bg9A1 TRP 118 HZ2 0.06 0.30 -0.05 -0.04 7.44 7.71 2bg9A1 TRP 118 HZ3 0.06 -0.09 -0.06 -0.04 7.13 7.00 2bg9A1 TRP 118 HH2 0.07 -0.05 -0.10 -0.04 7.19 7.07 2bg9A1 THR 119 H 0.19 0.19 0.03 -0.55 8.28 8.14 2bg9A1 THR 119 HA -0.15 0.93 1.11 -0.75 4.39 5.53 2bg9A1 THR 119 HB -0.06 -0.04 -0.02 -0.04 4.32 4.16 2bg9A1 THR 119 HG23 -0.06 -0.05 -0.08 -0.04 1.22 0.98 2bg9A1 PRO 120 HA 0.02 0.13 0.67 -0.51 4.44 4.75 2bg9A1 PRO 120 HB2 -0.02 0.32 0.06 -0.04 2.28 2.60 2bg9A1 PRO 120 HB3 0.27 -0.03 0.12 -0.04 2.02 2.34 2bg9A1 PRO 120 HG2 -0.62 -0.09 0.10 -0.04 2.03 1.37 2bg9A1 PRO 120 HG3 -0.66 0.09 0.08 -0.04 2.03 1.50 2bg9A1 PRO 120 HD2 -0.76 0.29 -0.12 -0.04 3.68 3.05 2bg9A1 PRO 120 HD3 0.17 0.02 -0.07 -0.04 3.65 3.73 2bg9A1 PRO 121 HA -0.10 -0.02 0.53 -0.51 4.44 4.34 2bg9A1 PRO 121 HB2 -0.03 0.00 0.20 -0.04 2.28 2.41 2bg9A1 PRO 121 HB3 -0.04 -0.01 0.13 -0.04 2.02 2.06 2bg9A1 PRO 121 HG2 0.01 0.01 0.17 -0.04 2.03 2.18 2bg9A1 PRO 121 HG3 -0.01 0.02 0.16 -0.04 2.03 2.16 2bg9A1 PRO 121 HD2 0.02 0.17 0.26 -0.04 3.68 4.09 2bg9A1 PRO 121 HD3 0.01 0.20 0.38 -0.04 3.65 4.20 2bg9A1 ALA 122 H -0.21 0.57 0.70 -0.55 8.40 8.91 2bg9A1 ALA 122 HA -0.15 0.49 0.88 -0.75 4.34 4.81 2bg9A1 ALA 122 HB3 -0.50 -0.07 0.00 -0.04 1.41 0.81 2bg9A1 ILE 123 H -0.07 0.49 0.33 -0.55 8.25 8.46 2bg9A1 ILE 123 HA -0.06 0.36 0.79 -0.75 4.18 4.51 2bg9A1 ILE 123 HB -0.01 0.02 0.03 -0.04 1.89 1.89 2bg9A1 ILE 123 HG12 0.09 -0.05 -0.12 -0.04 1.49 1.37 2bg9A1 ILE 123 HG13 0.04 0.04 -0.91 -0.04 1.21 0.35 2bg9A1 ILE 123 HG23 0.04 0.01 0.01 -0.04 0.93 0.95 2bg9A1 ILE 123 HD13 0.03 -0.02 -0.15 -0.04 0.88 0.70 2bg9A1 PHE 124 H 0.32 0.32 0.30 -0.55 8.34 8.74 2bg9A1 PHE 124 HA 0.07 0.23 0.68 -0.75 4.62 4.85 2bg9A1 PHE 124 HB2 0.13 0.17 0.09 -0.04 3.15 3.49 2bg9A1 PHE 124 HB3 0.23 -0.15 -0.02 -0.04 3.06 3.08 2bg9A1 PHE 124 HD2 0.23 -0.04 -0.19 -0.04 7.28 7.24 2bg9A1 PHE 124 HE2 0.14 -0.04 -0.16 -0.04 7.38 7.27 2bg9A1 PHE 124 HZ 0.12 -0.03 -0.15 -0.04 7.32 7.22 2bg9A1 LYS 125 H -0.00 0.27 0.09 -0.55 8.42 8.22 2bg9A1 LYS 125 HA -0.04 0.22 0.84 -0.75 4.32 4.58 2bg9A1 LYS 125 HB2 -0.05 -0.03 0.07 -0.04 1.87 1.82 2bg9A1 LYS 125 HB3 -0.16 -0.00 -0.23 -0.04 1.79 1.36 2bg9A1 LYS 125 HG2 -0.06 0.05 -0.09 -0.04 1.46 1.32 2bg9A1 LYS 125 HG3 -0.05 0.03 -0.06 -0.04 1.46 1.34 2bg9A1 LYS 125 HD2 0.02 -0.00 -0.14 -0.04 1.69 1.53 2bg9A1 LYS 125 HD3 0.02 -0.02 -0.09 -0.04 1.68 1.55 2bg9A1 LYS 125 HE2 0.01 -0.01 -0.08 -0.04 2.99 2.87 2bg9A1 LYS 125 HE3 -0.01 0.01 -0.05 -0.04 2.99 2.90 2bg9A1 SER 126 H -0.12 0.76 0.41 -0.55 8.46 8.96 2bg9A1 SER 126 HA -0.38 0.05 0.93 -0.75 4.49 4.34 2bg9A1 SER 126 HB2 -0.06 -0.01 -0.12 -0.04 3.95 3.71 2bg9A1 SER 126 HB3 -0.11 -0.05 -0.00 -0.04 3.93 3.73 2bg9A1 TYR 127 H -0.07 0.09 0.07 -0.55 8.29 7.82 2bg9A1 TYR 127 HA -0.15 0.51 0.98 -0.75 4.56 5.15 2bg9A1 TYR 127 HB2 -0.17 -0.07 -0.29 -0.04 3.06 2.50 2bg9A1 TYR 127 HB3 -0.16 -0.21 0.24 -0.04 2.98 2.81 2bg9A1 TYR 127 HD2 -0.12 0.20 0.18 -0.04 7.15 7.37 2bg9A1 TYR 127 HE2 -0.09 -0.01 0.01 -0.04 6.85 6.73 2bg9A1 CYS 128 H -0.22 0.40 0.19 -0.55 8.50 8.32 2bg9A1 CYS 128 HA -0.24 0.22 0.93 -0.75 4.58 4.74 2bg9A1 CYS 128 HB2 -0.24 -0.05 -0.06 -0.04 2.97 2.58 2bg9A1 CYS 128 HB3 -0.25 -0.10 -0.19 -0.04 2.97 2.39 2bg9A1 GLU 129 H -0.18 0.13 0.14 -0.55 8.60 8.14 2bg9A1 GLU 129 HA -0.19 0.01 0.39 -0.75 4.29 3.75 2bg9A1 GLU 129 HB2 -0.11 0.08 0.18 -0.04 2.09 2.19 2bg9A1 GLU 129 HB3 -0.09 -0.14 0.14 -0.04 1.99 1.86 2bg9A1 GLU 129 HG2 -0.06 -0.22 -0.06 -0.04 2.34 1.96 2bg9A1 GLU 129 HG3 -0.05 0.03 -0.00 -0.04 2.34 2.27 2bg9A1 ILE 130 H -0.11 -0.51 0.32 -0.55 8.25 7.40 2bg9A1 ILE 130 HA -0.01 0.10 0.50 -0.75 4.18 4.02 2bg9A1 ILE 130 HB -0.34 -0.08 0.21 -0.04 1.89 1.64 2bg9A1 ILE 130 HG12 -0.10 0.16 -0.19 -0.04 1.49 1.32 2bg9A1 ILE 130 HG13 -0.18 0.56 0.16 -0.04 1.21 1.71 2bg9A1 ILE 130 HG23 -0.31 0.04 -0.02 -0.04 0.93 0.60 2bg9A1 ILE 130 HD13 -0.15 -0.61 0.16 -0.04 0.88 0.25 2bg9A1 ILE 131 H -0.09 -0.17 0.27 -0.55 8.25 7.70 2bg9A1 ILE 131 HA -0.06 0.13 0.38 -0.75 4.18 3.88 2bg9A1 ILE 131 HB -0.01 -0.06 0.21 -0.04 1.89 1.98 2bg9A1 ILE 131 HG12 0.01 -0.10 -0.85 -0.04 1.49 0.51 2bg9A1 ILE 131 HG13 0.03 -0.14 -0.12 -0.04 1.21 0.95 2bg9A1 ILE 131 HG23 -0.04 0.02 0.08 -0.04 0.93 0.95 2bg9A1 ILE 131 HD13 0.02 0.03 -0.07 -0.04 0.88 0.83 2bg9A1 VAL 132 H -0.02 0.16 0.15 -0.55 8.24 7.97 2bg9A1 VAL 132 HA -0.04 0.20 0.40 -0.75 4.13 3.95 2bg9A1 VAL 132 HB -0.03 -0.12 0.11 -0.04 2.12 2.04 2bg9A1 VAL 132 HG13 -0.07 0.03 -0.01 -0.04 0.97 0.88 2bg9A1 VAL 132 HG23 -0.02 0.00 0.09 -0.04 0.95 0.98 2bg9A1 THR 133 H 0.03 0.01 -0.74 -0.55 8.28 7.03 2bg9A1 THR 133 HA 0.08 0.05 0.71 -0.75 4.39 4.48 2bg9A1 THR 133 HB 0.05 -0.00 -0.02 -0.04 4.32 4.31 2bg9A1 THR 133 HG23 0.07 0.02 0.07 -0.04 1.22 1.34 2bg9A1 HIS 134 H 0.13 0.29 -0.10 -0.55 8.41 8.18 2bg9A1 HIS 134 HA 0.04 0.08 0.91 -0.75 4.63 4.91 2bg9A1 HIS 134 HB2 -0.03 -0.08 0.26 -0.04 3.26 3.37 2bg9A1 HIS 134 HB3 -0.03 0.07 0.25 -0.04 3.20 3.45 2bg9A1 HIS 134 HD2 -0.04 0.00 0.09 -0.04 6.97 6.98 2bg9A1 HIS 134 HE1 -0.10 -0.08 -0.14 -0.04 7.75 7.39 2bg9A1 PHE 135 H 0.25 0.26 0.14 -0.55 8.34 8.44 2bg9A1 PHE 135 HA 0.05 0.03 0.55 -0.75 4.62 4.50 2bg9A1 PHE 135 HB2 0.01 0.01 -0.06 -0.04 3.15 3.07 2bg9A1 PHE 135 HB3 -0.17 0.02 0.26 -0.04 3.06 3.12 2bg9A1 PHE 135 HD2 -0.43 -0.07 -0.15 -0.04 7.28 6.59 2bg9A1 PHE 135 HE2 -0.13 -0.02 -0.03 -0.04 7.38 7.16 2bg9A1 PHE 135 HZ 0.18 -0.01 -0.05 -0.04 7.32 7.41 2bg9A1 PRO 136 HA 0.59 0.07 0.49 -0.51 4.44 5.08 2bg9A1 PRO 136 HB2 0.20 -0.11 -0.08 -0.04 2.28 2.25 2bg9A1 PRO 136 HB3 0.39 0.00 0.09 -0.04 2.02 2.46 2bg9A1 PRO 136 HG2 0.10 0.60 -0.33 -0.04 2.03 2.36 2bg9A1 PRO 136 HG3 0.15 -0.08 -0.06 -0.04 2.03 2.00 2bg9A1 PRO 136 HD2 0.04 -0.01 -1.67 -0.04 3.68 2.00 2bg9A1 PRO 136 HD3 0.12 -0.05 -0.36 -0.04 3.65 3.31 2bg9A1 PHE 137 H 0.33 0.13 0.19 -0.55 8.34 8.44 2bg9A1 PHE 137 HA 0.03 0.21 0.58 -0.75 4.62 4.68 2bg9A1 PHE 137 HB2 0.03 -0.07 0.15 -0.04 3.15 3.21 2bg9A1 PHE 137 HB3 0.01 0.06 0.08 -0.04 3.06 3.17 2bg9A1 PHE 137 HD2 -0.02 0.05 0.00 -0.04 7.28 7.26 2bg9A1 PHE 137 HE2 -0.00 0.07 -0.01 -0.04 7.38 7.39 2bg9A1 PHE 137 HZ 0.03 -0.04 -0.02 -0.04 7.32 7.26 2bg9A1 ASP 138 H 0.22 -0.10 -0.11 -0.55 8.40 7.86 2bg9A1 ASP 138 HA 0.09 0.21 0.55 -0.75 4.63 4.74 2bg9A1 ASP 138 HB2 0.09 0.05 0.14 -0.04 2.71 2.95 2bg9A1 ASP 138 HB3 0.11 -0.03 0.02 -0.04 2.70 2.76 2bg9A1 GLN 139 H 0.09 0.05 -0.68 -0.55 8.47 7.39 2bg9A1 GLN 139 HA -0.03 0.21 0.28 -0.75 4.36 4.07 2bg9A1 GLN 139 HB2 -0.05 0.57 -0.12 -0.04 2.15 2.51 2bg9A1 GLN 139 HB3 0.02 -0.07 -0.58 -0.04 2.02 1.35 2bg9A1 GLN 139 HG2 0.05 -0.01 -0.28 -0.04 2.40 2.12 2bg9A1 GLN 139 HG3 0.05 -0.21 -0.30 -0.04 2.39 1.88 2bg9A1 GLN 139 HE21 0.06 -0.05 -0.09 -0.04 6.97 6.84 2bg9A1 GLN 139 HE22 0.07 -0.18 -0.27 -0.04 7.69 7.27 2bg9A1 GLN 140 H -0.01 0.31 0.34 -0.55 8.47 8.56 2bg9A1 GLN 140 HA 0.06 0.08 0.54 -0.75 4.36 4.29 2bg9A1 GLN 140 HB2 0.06 0.39 -0.19 -0.04 2.15 2.37 2bg9A1 GLN 140 HB3 0.08 -0.05 -0.16 -0.04 2.02 1.85 2bg9A1 GLN 140 HG2 0.03 -0.13 -0.25 -0.04 2.40 2.02 2bg9A1 GLN 140 HG3 0.04 -0.02 -0.19 -0.04 2.39 2.19 2bg9A1 GLN 140 HE21 0.04 0.01 0.02 -0.04 6.97 7.01 2bg9A1 GLN 140 HE22 0.03 -0.04 -0.01 -0.04 7.69 7.63 2bg9A1 ASN 141 H 0.08 0.13 0.06 -0.55 8.53 8.25 2bg9A1 ASN 141 HA 0.15 0.67 1.06 -0.75 4.76 5.89 2bg9A1 ASN 141 HB2 0.15 -0.05 -0.12 -0.04 2.88 2.82 2bg9A1 ASN 141 HB3 0.19 0.01 -0.09 -0.04 2.79 2.86 2bg9A1 ASN 141 HD21 0.22 0.01 0.02 -0.04 7.03 7.24 2bg9A1 ASN 141 HD22 0.41 0.00 -0.02 -0.04 7.74 8.10 2bg9A1 CYS 142 H 0.17 0.58 0.26 -0.55 8.50 8.96 2bg9A1 CYS 142 HA -0.04 -0.02 0.30 -0.75 4.58 4.07 2bg9A1 CYS 142 HB2 0.10 0.02 0.20 -0.04 2.97 3.26 2bg9A1 CYS 142 HB3 -0.29 -0.09 -0.00 -0.04 2.97 2.55 2bg9A1 THR 143 H -0.11 0.06 0.30 -0.55 8.28 7.98 2bg9A1 THR 143 HA -0.28 0.25 0.70 -0.75 4.39 4.31 2bg9A1 THR 143 HB -0.12 0.02 0.10 -0.04 4.32 4.29 2bg9A1 THR 143 HG23 -0.16 0.00 0.14 -0.04 1.22 1.16 2bg9A1 MET 144 H 0.10 0.81 0.27 -0.55 8.47 9.10 2bg9A1 MET 144 HA -0.11 0.11 0.98 -0.75 4.52 4.75 2bg9A1 MET 144 HB2 0.20 -0.00 0.04 -0.04 2.15 2.34 2bg9A1 MET 144 HB3 -0.21 -0.02 -0.03 -0.04 2.03 1.73 2bg9A1 MET 144 HG2 -0.15 0.15 -0.22 -0.04 2.63 2.37 2bg9A1 MET 144 HG3 -0.26 0.00 -0.31 -0.04 2.56 1.95 2bg9A1 MET 144 HE3 -0.33 -0.00 -0.18 -0.04 2.10 1.55 2bg9A1 LYS 145 H -0.18 0.10 0.14 -0.55 8.42 7.92 2bg9A1 LYS 145 HA -0.37 0.29 0.95 -0.75 4.32 4.45 2bg9A1 LYS 145 HB2 -0.20 -0.06 0.11 -0.04 1.87 1.68 2bg9A1 LYS 145 HB3 -1.34 -0.02 -0.06 -0.04 1.79 0.34 2bg9A1 LYS 145 HG2 -0.58 0.05 -0.16 -0.04 1.46 0.72 2bg9A1 LYS 145 HG3 -0.30 -0.00 -0.12 -0.04 1.46 1.00 2bg9A1 LYS 145 HD2 -0.05 -0.03 -0.06 -0.04 1.69 1.51 2bg9A1 LYS 145 HD3 0.26 0.01 -0.08 -0.04 1.68 1.83 2bg9A1 LYS 145 HE2 -0.19 -0.01 -0.08 -0.04 2.99 2.67 2bg9A1 LYS 145 HE3 -0.19 0.02 -0.11 -0.04 2.99 2.66 2bg9A1 LEU 146 H -0.49 0.75 0.41 -0.55 8.37 8.50 2bg9A1 LEU 146 HA -0.30 0.21 1.04 -0.75 4.35 4.54 2bg9A1 LEU 146 HB2 -0.11 0.00 0.13 -0.04 1.64 1.62 2bg9A1 LEU 146 HB3 -0.03 -0.03 -0.02 -0.04 1.64 1.52 2bg9A1 LEU 146 HG -0.22 -0.00 -0.17 -0.04 1.64 1.21 2bg9A1 LEU 146 HD13 -0.88 -0.14 -0.61 -0.04 0.93 -0.74 2bg9A1 LEU 146 HD23 -0.04 -0.01 -0.13 -0.04 0.89 0.67 2bg9A1 GLY 147 H 0.21 0.41 0.26 -0.55 8.43 8.77 2bg9A1 GLY 147 HA2 0.18 -0.06 0.34 -0.51 4.01 3.96 2bg9A1 GLY 147 HA3 0.32 0.33 0.74 -0.51 4.01 4.89 2bg9A1 ILE 148 H 0.28 0.09 0.19 -0.55 8.25 8.26 2bg9A1 ILE 148 HA 0.23 -0.06 0.28 -0.75 4.18 3.87 2bg9A1 ILE 148 HB 0.26 -0.09 0.18 -0.04 1.89 2.19 2bg9A1 ILE 148 HG12 0.31 -0.09 -0.06 -0.04 1.49 1.61 2bg9A1 ILE 148 HG13 0.22 -0.04 -0.04 -0.04 1.21 1.31 2bg9A1 ILE 148 HG23 0.37 0.05 0.05 -0.04 0.93 1.37 2bg9A1 ILE 148 HD13 0.25 0.04 -0.30 -0.04 0.88 0.83 2bg9A1 TRP 149 H 0.22 0.16 0.15 -0.55 7.97 7.95 2bg9A1 TRP 149 HA -0.11 0.19 0.88 -0.75 4.62 4.83 2bg9A1 TRP 149 HB2 -0.06 -0.03 0.03 -0.04 3.23 3.13 2bg9A1 TRP 149 HB3 -0.04 0.89 0.26 -0.04 3.23 4.30 2bg9A1 TRP 149 HD1 -0.06 -0.01 0.01 -0.04 7.22 7.12 2bg9A1 TRP 149 HE1 -0.06 -0.02 0.01 -0.04 10.20 10.09 2bg9A1 TRP 149 HE3 -0.20 0.03 -0.18 -0.04 7.59 7.19 2bg9A1 TRP 149 HZ2 -0.08 -0.01 -0.01 -0.04 7.44 7.30 2bg9A1 TRP 149 HZ3 -0.16 -0.02 -0.06 -0.04 7.13 6.84 2bg9A1 TRP 149 HH2 -0.11 -0.02 -0.02 -0.04 7.19 7.00 2bg9A1 THR 150 H -1.05 0.07 0.15 -0.55 8.28 6.90 2bg9A1 THR 150 HA -0.70 0.35 0.90 -0.75 4.39 4.18 2bg9A1 THR 150 HB -2.05 0.02 0.05 -0.04 4.32 2.30 2bg9A1 THR 150 HG23 -1.44 -0.01 0.03 -0.04 1.22 -0.24 2bg9A1 TYR 151 H -0.28 0.12 -0.33 -0.55 8.29 7.25 2bg9A1 TYR 151 HA -0.04 0.19 1.06 -0.75 4.56 5.02 2bg9A1 TYR 151 HB2 0.11 -0.01 -0.05 -0.04 3.06 3.07 2bg9A1 TYR 151 HB3 0.12 -0.00 0.02 -0.04 2.98 3.08 2bg9A1 TYR 151 HD2 0.00 0.01 -0.06 -0.04 7.15 7.06 2bg9A1 TYR 151 HE2 -0.08 -0.12 0.01 -0.04 6.85 6.62 2bg9A1 ASP 152 H 0.11 0.10 0.20 -0.55 8.40 8.27 2bg9A1 ASP 152 HA 0.10 0.12 0.69 -0.75 4.63 4.79 2bg9A1 ASP 152 HB2 0.05 -0.04 0.18 -0.04 2.71 2.86 2bg9A1 ASP 152 HB3 0.06 0.09 0.15 -0.04 2.70 2.96 2bg9A1 GLY 153 H 0.13 0.12 0.11 -0.55 8.43 8.24 2bg9A1 GLY 153 HA2 -0.12 0.32 0.35 -0.51 4.01 4.05 2bg9A1 GLY 153 HA3 -0.06 0.12 0.18 -0.51 4.01 3.74 2bg9A1 THR 154 H -0.07 -0.19 -0.71 -0.55 8.28 6.77 2bg9A1 THR 154 HA -0.17 0.24 0.70 -0.75 4.39 4.41 2bg9A1 THR 154 HB 0.06 -0.09 0.03 -0.04 4.32 4.28 2bg9A1 THR 154 HG23 0.22 0.01 -0.02 -0.04 1.22 1.39 2bg9A1 LYS 155 H 0.06 0.06 0.03 -0.55 8.42 8.01 2bg9A1 LYS 155 HA 0.11 0.13 0.71 -0.75 4.32 4.51 2bg9A1 LYS 155 HB2 0.16 -0.12 0.21 -0.04 1.87 2.07 2bg9A1 LYS 155 HB3 0.08 0.02 0.05 -0.04 1.79 1.90 2bg9A1 LYS 155 HG2 0.07 -0.09 0.03 -0.04 1.46 1.43 2bg9A1 LYS 155 HG3 0.08 0.02 0.06 -0.04 1.46 1.57 2bg9A1 LYS 155 HD2 0.01 0.01 0.02 -0.04 1.69 1.69 2bg9A1 LYS 155 HD3 0.07 0.13 -0.04 -0.04 1.68 1.80 2bg9A1 LYS 155 HE2 0.05 -0.06 -0.12 -0.04 2.99 2.82 2bg9A1 LYS 155 HE3 0.02 -0.01 -0.02 -0.04 2.99 2.94 2bg9A1 VAL 156 H 0.14 1.00 0.24 -0.55 8.24 9.07 2bg9A1 VAL 156 HA 0.25 0.05 0.36 -0.75 4.13 4.03 2bg9A1 VAL 156 HB 0.43 0.13 0.05 -0.04 2.12 2.70 2bg9A1 VAL 156 HG13 0.32 -0.05 -0.21 -0.04 0.97 0.99 2bg9A1 VAL 156 HG23 0.25 0.10 0.04 -0.04 0.95 1.30 2bg9A1 SER 157 H 0.23 0.47 0.19 -0.55 8.46 8.80 2bg9A1 SER 157 HA 0.20 -0.05 0.71 -0.75 4.49 4.60 2bg9A1 SER 157 HB2 0.21 -0.01 -0.02 -0.04 3.95 4.09 2bg9A1 SER 157 HB3 0.15 0.11 -0.17 -0.04 3.93 3.97 2bg9A1 ILE 158 H 0.21 0.03 0.22 -0.55 8.25 8.16 2bg9A1 ILE 158 HA 0.18 0.39 0.75 -0.75 4.18 4.75 2bg9A1 ILE 158 HB 0.21 -0.17 0.22 -0.04 1.89 2.11 2bg9A1 ILE 158 HG12 0.16 0.06 -0.04 -0.04 1.49 1.62 2bg9A1 ILE 158 HG13 0.17 0.09 -0.05 -0.04 1.21 1.38 2bg9A1 ILE 158 HG23 0.15 -0.02 -0.09 -0.04 0.93 0.92 2bg9A1 ILE 158 HD13 0.17 -0.01 -0.13 -0.04 0.88 0.87 2bg9A1 SER 159 H 0.15 0.40 0.54 -0.55 8.46 8.99 2bg9A1 SER 159 HA 0.12 0.16 0.97 -0.75 4.49 4.99 2bg9A1 SER 159 HB2 0.11 0.01 0.11 -0.04 3.95 4.14 2bg9A1 SER 159 HB3 0.13 -0.00 -0.09 -0.04 3.93 3.93 2bg9A1 PRO 160 HA 0.08 0.19 0.67 -0.51 4.44 4.87 2bg9A1 PRO 160 HB2 0.06 -0.01 0.07 -0.04 2.28 2.35 2bg9A1 PRO 160 HB3 0.06 0.00 0.04 -0.04 2.02 2.08 2bg9A1 PRO 160 HG2 0.08 0.07 -0.01 -0.04 2.03 2.13 2bg9A1 PRO 160 HG3 0.09 -0.04 0.07 -0.04 2.03 2.10 2bg9A1 PRO 160 HD2 0.10 0.11 0.22 -0.04 3.68 4.07 2bg9A1 PRO 160 HD3 0.09 0.12 0.15 -0.04 3.65 3.97 2bg9A1 GLU 161 H 0.04 -0.04 0.25 -0.55 8.60 8.31 2bg9A1 GLU 161 HA 0.04 0.19 0.94 -0.75 4.29 4.70 2bg9A1 GLU 161 HB2 0.02 -0.01 0.00 -0.04 2.09 2.06 2bg9A1 GLU 161 HB3 0.04 0.40 -0.01 -0.04 1.99 2.38 2bg9A1 GLU 161 HG2 0.01 -0.09 0.03 -0.04 2.34 2.25 2bg9A1 GLU 161 HG3 0.01 0.01 -0.14 -0.04 2.34 2.18 2bg9A1 SER 162 H 0.02 0.11 0.24 -0.55 8.46 8.29 2bg9A1 SER 162 HA 0.01 0.05 0.41 -0.75 4.49 4.21 2bg9A1 SER 162 HB2 0.00 0.02 0.15 -0.04 3.95 4.09 2bg9A1 SER 162 HB3 0.01 0.24 0.04 -0.04 3.93 4.18 2bg9A1 ASP 163 H -0.00 0.13 0.20 -0.55 8.40 8.19 2bg9A1 ASP 163 HA -0.04 0.12 0.86 -0.75 4.63 4.81 2bg9A1 ASP 163 HB2 -0.01 0.00 0.15 -0.04 2.71 2.81 2bg9A1 ASP 163 HB3 -0.01 0.01 0.15 -0.04 2.70 2.81 2bg9A1 ARG 164 H -0.04 0.25 0.23 -0.55 8.46 8.35 2bg9A1 ARG 164 HA 0.02 0.08 0.39 -0.75 4.34 4.07 2bg9A1 ARG 164 HB2 0.04 0.07 -0.01 -0.04 1.90 1.97 2bg9A1 ARG 164 HB3 0.01 0.04 0.18 -0.04 1.80 1.99 2bg9A1 ARG 164 HG2 0.00 0.01 -0.24 -0.04 1.67 1.40 2bg9A1 ARG 164 HG3 -0.01 -0.19 -1.26 -0.04 1.67 0.17 2bg9A1 ARG 164 HD2 -0.01 -0.02 -0.07 -0.04 3.22 3.08 2bg9A1 ARG 164 HD3 0.02 -0.08 -0.03 -0.04 3.22 3.09 2bg9A1 PRO 165 HA 0.26 0.20 0.68 -0.51 4.44 5.06 2bg9A1 PRO 165 HB2 0.01 -0.19 0.05 -0.04 2.28 2.10 2bg9A1 PRO 165 HB3 0.04 0.10 0.14 -0.04 2.02 2.26 2bg9A1 PRO 165 HG2 0.01 -0.03 0.06 -0.04 2.03 2.04 2bg9A1 PRO 165 HG3 0.01 0.12 0.05 -0.04 2.03 2.17 2bg9A1 PRO 165 HD2 0.02 0.16 0.24 -0.04 3.68 4.06 2bg9A1 PRO 165 HD3 0.02 0.15 0.14 -0.04 3.65 3.92 2bg9A1 ASP 166 H -0.07 0.12 0.22 -0.55 8.40 8.12 2bg9A1 ASP 166 HA -0.64 0.25 0.74 -0.75 4.63 4.22 2bg9A1 ASP 166 HB2 -2.74 0.07 0.04 -0.04 2.71 0.04 2bg9A1 ASP 166 HB3 -0.68 -0.01 0.05 -0.04 2.70 2.02 2bg9A1 LEU 167 H -0.09 0.05 0.02 -0.55 8.37 7.80 2bg9A1 LEU 167 HA 0.07 0.12 0.62 -0.75 4.35 4.40 2bg9A1 LEU 167 HB2 -0.15 -0.06 0.01 -0.04 1.64 1.40 2bg9A1 LEU 167 HB3 -0.06 0.08 -0.01 -0.04 1.64 1.61 2bg9A1 LEU 167 HG -0.17 -0.02 0.07 -0.04 1.64 1.47 2bg9A1 LEU 167 HD13 -0.29 0.00 0.01 -0.04 0.93 0.60 2bg9A1 LEU 167 HD23 0.00 0.03 0.05 -0.04 0.89 0.93 2bg9A1 SER 168 H -0.04 0.03 -0.90 -0.55 8.46 7.00 2bg9A1 SER 168 HA 0.00 0.08 0.38 -0.75 4.49 4.20 2bg9A1 SER 168 HB2 -0.00 0.03 0.00 -0.04 3.95 3.93 2bg9A1 SER 168 HB3 0.00 -0.09 0.02 -0.04 3.93 3.81 2bg9A1 THR 169 H 0.01 0.12 -0.46 -0.55 8.28 7.39 2bg9A1 THR 169 HA 0.01 0.23 0.66 -0.75 4.39 4.53 2bg9A1 THR 169 HB -0.00 0.17 -0.11 -0.04 4.32 4.34 2bg9A1 THR 169 HG23 -0.01 -0.01 -0.17 -0.04 1.22 0.99 2bg9A1 PHE 170 H 0.14 0.09 -0.36 -0.55 8.34 7.65 2bg9A1 PHE 170 HA -0.01 0.01 0.46 -0.75 4.62 4.32 2bg9A1 PHE 170 HB2 -0.05 -0.04 0.12 -0.04 3.15 3.13 2bg9A1 PHE 170 HB3 -0.07 0.08 0.07 -0.04 3.06 3.10 2bg9A1 PHE 170 HD2 -0.02 -0.02 -0.16 -0.04 7.28 7.05 2bg9A1 PHE 170 HE2 -0.15 0.03 -0.07 -0.04 7.38 7.14 2bg9A1 PHE 170 HZ -1.15 0.09 -0.42 -0.04 7.32 5.80 2bg9A1 MET 171 H -0.69 0.05 0.14 -0.55 8.47 7.43 2bg9A1 MET 171 HA -0.31 0.13 0.55 -0.75 4.52 4.13 2bg9A1 MET 171 HB2 -0.26 0.14 0.12 -0.04 2.15 2.12 2bg9A1 MET 171 HB3 -0.75 -0.05 0.12 -0.04 2.03 1.31 2bg9A1 MET 171 HG2 -0.50 -0.20 -0.25 -0.04 2.63 1.64 2bg9A1 MET 171 HG3 -0.26 -0.02 0.03 -0.04 2.56 2.26 2bg9A1 MET 171 HE3 0.06 -0.06 -0.25 -0.04 2.10 1.81 2bg9A1 GLU 172 H -0.22 0.22 0.23 -0.55 8.60 8.28 2bg9A1 GLU 172 HA -0.17 0.17 0.56 -0.75 4.29 4.09 2bg9A1 GLU 172 HB2 -0.09 -0.02 0.10 -0.04 2.09 2.03 2bg9A1 GLU 172 HB3 -0.06 0.02 0.15 -0.04 1.99 2.05 2bg9A1 GLU 172 HG2 -0.01 0.03 0.03 -0.04 2.34 2.35 2bg9A1 GLU 172 HG3 -0.06 0.08 0.09 -0.04 2.34 2.40 2bg9A1 SER 173 H -0.30 -0.02 -0.32 -0.55 8.46 7.28 2bg9A1 SER 173 HA -0.12 0.18 0.63 -0.75 4.49 4.42 2bg9A1 SER 173 HB2 -0.10 -0.02 0.05 -0.04 3.95 3.84 2bg9A1 SER 173 HB3 -0.13 0.01 0.01 -0.04 3.93 3.78 2bg9A1 GLY 174 H -0.68 0.28 -0.47 -0.55 8.43 7.01 2bg9A1 GLY 174 HA2 -0.75 0.00 0.43 -0.51 4.01 3.18 2bg9A1 GLY 174 HA3 -2.14 0.05 0.26 -0.51 4.01 1.67 2bg9A1 GLU 175 H 0.77 0.10 0.15 -0.55 8.60 9.07 2bg9A1 GLU 175 HA 0.23 0.12 0.51 -0.75 4.29 4.41 2bg9A1 GLU 175 HB2 0.54 -0.05 0.11 -0.04 2.09 2.66 2bg9A1 GLU 175 HB3 0.35 -0.03 0.23 -0.04 1.99 2.50 2bg9A1 GLU 175 HG2 0.32 0.02 0.10 -0.04 2.34 2.73 2bg9A1 GLU 175 HG3 0.24 -0.01 0.09 -0.04 2.34 2.62 2bg9A1 TRP 176 H 0.16 0.06 -0.81 -0.55 7.97 6.83 2bg9A1 TRP 176 HA 0.15 0.15 0.69 -0.75 4.62 4.85 2bg9A1 TRP 176 HB2 0.20 0.12 -0.20 -0.04 3.23 3.32 2bg9A1 TRP 176 HB3 0.29 -0.06 -0.23 -0.04 3.23 3.20 2bg9A1 TRP 176 HD1 0.36 0.04 -0.30 -0.04 7.22 7.28 2bg9A1 TRP 176 HE1 0.60 -0.03 -0.14 -0.04 10.20 10.60 2bg9A1 TRP 176 HE3 0.16 -0.11 -0.04 -0.04 7.59 7.56 2bg9A1 TRP 176 HZ2 0.03 -0.01 -0.11 -0.04 7.44 7.32 2bg9A1 TRP 176 HZ3 0.04 0.10 0.11 -0.04 7.13 7.35 2bg9A1 TRP 176 HH2 -0.01 -0.01 -0.06 -0.04 7.19 7.07 2bg9A1 VAL 177 H 0.26 0.86 0.20 -0.55 8.24 9.01 2bg9A1 VAL 177 HA -0.19 0.03 0.65 -0.75 4.13 3.86 2bg9A1 VAL 177 HB 0.07 0.01 -0.25 -0.04 2.12 1.91 2bg9A1 VAL 177 HG13 0.03 0.09 -0.04 -0.04 0.97 1.01 2bg9A1 VAL 177 HG23 -0.04 0.00 0.06 -0.04 0.95 0.93 2bg9A1 MET 178 H -0.54 0.14 0.12 -0.55 8.47 7.64 2bg9A1 MET 178 HA -0.14 0.03 0.60 -0.75 4.52 4.26 2bg9A1 MET 178 HB2 -0.38 0.04 0.04 -0.04 2.15 1.81 2bg9A1 MET 178 HB3 -0.21 -0.05 -0.04 -0.04 2.03 1.68 2bg9A1 MET 178 HG2 -2.00 0.02 -0.07 -0.04 2.63 0.53 2bg9A1 MET 178 HG3 -0.72 -0.06 -0.09 -0.04 2.56 1.66 2bg9A1 MET 178 HE3 -0.15 -0.03 -0.20 -0.04 2.10 1.68 2bg9A1 LYS 179 H -0.02 0.68 0.48 -0.55 8.42 9.01 2bg9A1 LYS 179 HA -0.03 0.19 0.92 -0.75 4.32 4.65 2bg9A1 LYS 179 HB2 0.03 0.01 0.11 -0.04 1.87 1.97 2bg9A1 LYS 179 HB3 0.01 -0.00 0.03 -0.04 1.79 1.79 2bg9A1 LYS 179 HG2 0.00 -0.09 -0.26 -0.04 1.46 1.07 2bg9A1 LYS 179 HG3 0.02 -0.02 -0.18 -0.04 1.46 1.24 2bg9A1 LYS 179 HD2 0.00 0.01 -0.01 -0.04 1.69 1.65 2bg9A1 LYS 179 HD3 -0.01 0.03 0.01 -0.04 1.68 1.66 2bg9A1 LYS 179 HE2 0.00 -0.05 -0.07 -0.04 2.99 2.83 2bg9A1 LYS 179 HE3 0.02 -0.00 -0.04 -0.04 2.99 2.92 2bg9A1 ASP 180 H 0.03 0.47 0.41 -0.55 8.40 8.76 2bg9A1 ASP 180 HA 0.02 -0.01 0.43 -0.75 4.63 4.32 2bg9A1 ASP 180 HB2 0.02 0.09 -0.40 -0.04 2.71 2.39 2bg9A1 ASP 180 HB3 0.04 -0.04 -0.04 -0.04 2.70 2.63 2bg9A1 TYR 181 H 0.11 0.24 0.23 -0.55 8.29 8.33 2bg9A1 TYR 181 HA 0.00 0.17 0.47 -0.75 4.56 4.45 2bg9A1 TYR 181 HB2 -0.22 0.09 0.51 -0.04 3.06 3.40 2bg9A1 TYR 181 HB3 -0.18 -0.33 0.06 -0.04 2.98 2.49 2bg9A1 TYR 181 HD2 -0.40 -0.11 -0.06 -0.04 7.15 6.54 2bg9A1 TYR 181 HE2 -0.30 0.13 -0.20 -0.04 6.85 6.43 2bg9A1 ARG 182 H -0.07 0.29 0.27 -0.55 8.46 8.40 2bg9A1 ARG 182 HA -0.28 0.20 1.01 -0.75 4.34 4.52 2bg9A1 ARG 182 HB2 -0.04 0.01 0.08 -0.04 1.90 1.91 2bg9A1 ARG 182 HB3 -0.04 -0.01 -0.11 -0.04 1.80 1.60 2bg9A1 ARG 182 HG2 0.01 -0.03 0.01 -0.04 1.67 1.61 2bg9A1 ARG 182 HG3 0.04 0.03 -0.24 -0.04 1.67 1.46 2bg9A1 ARG 182 HD2 -0.01 0.01 -0.07 -0.04 3.22 3.11 2bg9A1 ARG 182 HD3 -0.02 0.00 -0.06 -0.04 3.22 3.10 2bg9A1 GLY 183 H -0.13 0.20 0.18 -0.55 8.43 8.14 2bg9A1 GLY 183 HA2 -0.03 0.42 1.03 -0.51 4.01 4.92 2bg9A1 GLY 183 HA3 -0.16 -0.02 0.32 -0.51 4.01 3.63 2bg9A1 TRP 184 H -0.09 0.32 0.25 -0.55 7.97 7.90 2bg9A1 TRP 184 HA -0.01 0.19 1.07 -0.75 4.62 5.11 2bg9A1 TRP 184 HB2 0.00 0.01 0.15 -0.04 3.23 3.35 2bg9A1 TRP 184 HB3 -0.03 -0.03 -0.01 -0.04 3.23 3.11 2bg9A1 TRP 184 HD1 -0.10 -0.06 -0.05 -0.04 7.22 6.97 2bg9A1 TRP 184 HE1 -0.13 -0.01 -0.03 -0.04 10.20 9.98 2bg9A1 TRP 184 HE3 0.04 0.05 0.05 -0.04 7.59 7.69 2bg9A1 TRP 184 HZ2 0.05 -0.03 -0.02 -0.04 7.44 7.39 2bg9A1 TRP 184 HZ3 0.02 -0.04 0.08 -0.04 7.13 7.15 2bg9A1 TRP 184 HH2 0.16 -0.03 0.00 -0.04 7.19 7.28 2bg9A1 LYS 185 H 0.27 0.08 0.19 -0.55 8.42 8.41 2bg9A1 LYS 185 HA -0.05 0.24 0.77 -0.75 4.32 4.53 2bg9A1 LYS 185 HB2 0.10 0.03 0.21 -0.04 1.87 2.17 2bg9A1 LYS 185 HB3 0.11 -0.04 0.16 -0.04 1.79 1.97 2bg9A1 LYS 185 HG2 0.22 -0.05 0.02 -0.04 1.46 1.61 2bg9A1 LYS 185 HG3 0.16 0.01 -0.13 -0.04 1.46 1.46 2bg9A1 LYS 185 HD2 0.11 0.00 0.00 -0.04 1.69 1.76 2bg9A1 LYS 185 HD3 0.11 0.04 0.04 -0.04 1.68 1.82 2bg9A1 LYS 185 HE2 0.12 -0.06 0.08 -0.04 2.99 3.08 2bg9A1 LYS 185 HE3 0.11 -0.01 0.03 -0.04 2.99 3.08 2bg9A1 HIS 186 H 0.07 0.34 0.37 -0.55 8.41 8.64 2bg9A1 HIS 186 HA 0.14 0.02 0.50 -0.75 4.63 4.54 2bg9A1 HIS 186 HB2 -0.52 0.18 -0.09 -0.04 3.26 2.79 2bg9A1 HIS 186 HB3 -0.29 -0.03 -0.08 -0.04 3.20 2.75 2bg9A1 HIS 186 HD2 0.07 -0.02 -0.00 -0.04 6.97 6.98 2bg9A1 HIS 186 HE1 -0.05 0.08 0.16 -0.04 7.75 7.90 2bg9A1 TRP 187 H 0.35 0.21 0.19 -0.55 7.97 8.17 2bg9A1 TRP 187 HA 0.11 0.20 0.98 -0.75 4.62 5.16 2bg9A1 TRP 187 HB2 0.09 -0.00 0.06 -0.04 3.23 3.33 2bg9A1 TRP 187 HB3 0.06 -0.06 0.18 -0.04 3.23 3.37 2bg9A1 TRP 187 HD1 0.08 -0.00 -0.05 -0.04 7.22 7.20 2bg9A1 TRP 187 HE1 0.08 -0.09 -0.31 -0.04 10.20 9.83 2bg9A1 TRP 187 HE3 0.01 -0.04 0.04 -0.04 7.59 7.56 2bg9A1 TRP 187 HZ2 0.15 -0.10 0.06 -0.04 7.44 7.50 2bg9A1 TRP 187 HZ3 -0.38 -0.01 0.01 -0.04 7.13 6.71 2bg9A1 TRP 187 HH2 -0.06 0.04 -0.03 -0.04 7.19 7.10 2bg9A1 VAL 188 H -0.37 0.61 0.15 -0.55 8.24 8.08 2bg9A1 VAL 188 HA -0.31 0.14 0.96 -0.75 4.13 4.16 2bg9A1 VAL 188 HB -0.38 0.03 0.09 -0.04 2.12 1.81 2bg9A1 VAL 188 HG13 -0.85 -0.02 -0.20 -0.04 0.97 -0.14 2bg9A1 VAL 188 HG23 -0.53 -0.00 -0.16 -0.04 0.95 0.22 2bg9A1 TYR 189 H -0.50 0.21 0.15 -0.55 8.29 7.59 2bg9A1 TYR 189 HA -0.43 0.12 0.82 -0.75 4.56 4.31 2bg9A1 TYR 189 HB2 -0.17 0.21 0.13 -0.04 3.06 3.19 2bg9A1 TYR 189 HB3 -2.80 -0.04 0.04 -0.04 2.98 0.14 2bg9A1 TYR 189 HD2 -0.12 0.07 0.03 -0.04 7.15 7.09 2bg9A1 TYR 189 HE2 0.06 -0.01 -0.03 -0.04 6.85 6.83 2bg9A1 TYR 190 H 0.10 0.20 0.18 -0.55 8.29 8.22 2bg9A1 TYR 190 HA -0.43 0.24 1.14 -0.75 4.56 4.77 2bg9A1 TYR 190 HB2 -0.13 -0.08 0.15 -0.04 3.06 2.96 2bg9A1 TYR 190 HB3 -0.15 -0.06 0.09 -0.04 2.98 2.82 2bg9A1 TYR 190 HD2 -0.11 -0.02 0.02 -0.04 7.15 7.00 2bg9A1 TYR 190 HE2 -0.01 0.01 -0.01 -0.04 6.85 6.80 2bg9A1 THR 191 H -0.18 0.17 0.14 -0.55 8.28 7.85 2bg9A1 THR 191 HA -0.06 0.11 0.24 -0.75 4.39 3.93 2bg9A1 THR 191 HB -0.02 -0.03 0.00 -0.04 4.32 4.23 2bg9A1 THR 191 HG23 0.02 0.01 0.04 -0.04 1.22 1.24 2bg9A1 CYS 192 H 0.02 -0.15 -0.83 -0.55 8.50 7.00 2bg9A1 CYS 192 HA -0.01 0.01 0.32 -0.75 4.58 4.15 2bg9A1 CYS 192 HB2 -0.07 0.01 -0.01 -0.04 2.97 2.87 2bg9A1 CYS 192 HB3 -0.06 -0.03 0.06 -0.04 2.97 2.90 2bg9A1 CYS 193 H 0.01 0.10 0.05 -0.55 8.50 8.11 2bg9A1 CYS 193 HA 0.02 0.18 0.73 -0.75 4.58 4.75 2bg9A1 CYS 193 HB2 0.04 -0.08 0.02 -0.04 2.97 2.91 2bg9A1 CYS 193 HB3 0.01 0.02 0.08 -0.04 2.97 3.05 2bg9A1 PRO 194 HA 0.15 0.15 0.41 -0.51 4.44 4.64 2bg9A1 PRO 194 HB2 0.10 0.00 0.09 -0.04 2.28 2.43 2bg9A1 PRO 194 HB3 0.09 0.04 0.09 -0.04 2.02 2.19 2bg9A1 PRO 194 HG2 0.08 -0.00 -0.02 -0.04 2.03 2.04 2bg9A1 PRO 194 HG3 0.06 0.03 0.06 -0.04 2.03 2.14 2bg9A1 PRO 194 HD2 0.04 0.03 0.23 -0.04 3.68 3.95 2bg9A1 PRO 194 HD3 0.05 0.22 0.20 -0.04 3.65 4.08 2bg9A1 ASP 195 H 0.11 -0.07 -0.59 -0.55 8.40 7.30 2bg9A1 ASP 195 HA 0.18 0.10 0.40 -0.75 4.63 4.55 2bg9A1 ASP 195 HB2 0.10 0.01 0.02 -0.04 2.71 2.80 2bg9A1 ASP 195 HB3 0.09 -0.05 0.00 -0.04 2.70 2.70 2bg9A1 THR 196 H 0.24 0.11 0.06 -0.55 8.28 8.14 2bg9A1 THR 196 HA 0.87 0.20 0.76 -0.75 4.39 5.46 2bg9A1 THR 196 HB 0.25 -0.05 0.12 -0.04 4.32 4.59 2bg9A1 THR 196 HG23 0.39 0.02 -0.09 -0.04 1.22 1.50 2bg9A1 PRO 197 HA 0.20 -0.15 0.69 -0.51 4.44 4.67 2bg9A1 PRO 197 HB2 0.13 0.75 0.27 -0.04 2.28 3.40 2bg9A1 PRO 197 HB3 0.30 -0.10 0.18 -0.04 2.02 2.36 2bg9A1 PRO 197 HG2 0.30 -0.17 0.26 -0.04 2.03 2.37 2bg9A1 PRO 197 HG3 0.18 -0.07 -0.05 -0.04 2.03 2.05 2bg9A1 PRO 197 HD2 -0.30 0.09 0.18 -0.04 3.68 3.61 2bg9A1 PRO 197 HD3 0.25 0.64 0.25 -0.04 3.65 4.75 2bg9A1 TYR 198 H 0.35 0.07 0.22 -0.55 8.29 8.38 2bg9A1 TYR 198 HA 0.15 0.04 0.42 -0.75 4.56 4.41 2bg9A1 TYR 198 HB2 0.13 -0.02 0.22 -0.04 3.06 3.36 2bg9A1 TYR 198 HB3 0.08 0.06 0.20 -0.04 2.98 3.28 2bg9A1 TYR 198 HD2 0.08 0.03 -0.02 -0.04 7.15 7.20 2bg9A1 TYR 198 HE2 -0.50 -0.02 -0.06 -0.04 6.85 6.22 2bg9A1 LEU 199 H 0.26 -0.01 0.35 -0.55 8.37 8.42 2bg9A1 LEU 199 HA 0.13 0.16 1.12 -0.75 4.35 5.01 2bg9A1 LEU 199 HB2 0.18 0.14 0.32 -0.04 1.64 2.24 2bg9A1 LEU 199 HB3 0.17 0.00 0.29 -0.04 1.64 2.06 2bg9A1 LEU 199 HG 0.26 -0.11 0.09 -0.04 1.64 1.85 2bg9A1 LEU 199 HD13 0.19 -0.01 -0.15 -0.04 0.93 0.91 2bg9A1 LEU 199 HD23 0.47 0.02 -0.03 -0.04 0.89 1.32 2bg9A1 ASP 200 H 0.01 0.61 0.46 -0.55 8.40 8.94 2bg9A1 ASP 200 HA -0.02 0.18 1.00 -0.75 4.63 5.03 2bg9A1 ASP 200 HB2 -0.31 -0.09 -0.19 -0.04 2.71 2.08 2bg9A1 ASP 200 HB3 -0.07 0.03 -0.15 -0.04 2.70 2.47 2bg9A1 ILE 201 H -0.13 1.11 0.46 -0.55 8.25 9.14 2bg9A1 ILE 201 HA -0.04 0.15 0.80 -0.75 4.18 4.33 2bg9A1 ILE 201 HB 0.06 -0.05 0.16 -0.04 1.89 2.02 2bg9A1 ILE 201 HG12 0.06 0.02 -0.08 -0.04 1.49 1.46 2bg9A1 ILE 201 HG13 0.08 0.02 -0.19 -0.04 1.21 1.07 2bg9A1 ILE 201 HG23 0.37 -0.01 -0.29 -0.04 0.93 0.97 2bg9A1 ILE 201 HD13 0.14 -0.00 -0.08 -0.04 0.88 0.89 2bg9A1 THR 202 H -0.20 0.45 0.18 -0.55 8.28 8.16 2bg9A1 THR 202 HA -0.12 0.15 1.05 -0.75 4.39 4.72 2bg9A1 THR 202 HB -0.06 0.03 -0.08 -0.04 4.32 4.17 2bg9A1 THR 202 HG23 -0.30 -0.02 -0.14 -0.04 1.22 0.72 2bg9A1 TYR 203 H 0.23 1.25 0.43 -0.55 8.29 9.65 2bg9A1 TYR 203 HA 0.03 0.10 0.60 -0.75 4.56 4.54 2bg9A1 TYR 203 HB2 0.39 -0.12 0.15 -0.04 3.06 3.45 2bg9A1 TYR 203 HB3 0.77 -0.03 -0.02 -0.04 2.98 3.66 2bg9A1 TYR 203 HD2 0.38 -0.09 -0.23 -0.04 7.15 7.18 2bg9A1 TYR 203 HE2 0.17 -0.04 -0.13 -0.04 6.85 6.81 2bg9A1 HIS 204 H 0.18 0.31 0.21 -0.55 8.41 8.57 2bg9A1 HIS 204 HA 0.30 0.26 0.69 -0.75 4.63 5.13 2bg9A1 HIS 204 HB2 0.10 0.13 0.15 -0.04 3.26 3.60 2bg9A1 HIS 204 HB3 0.15 -0.07 -0.03 -0.04 3.20 3.20 2bg9A1 HIS 204 HD2 0.10 0.06 -0.46 -0.04 6.97 6.62 2bg9A1 HIS 204 HE1 0.13 -0.02 -0.02 -0.04 7.75 7.79 2bg9A1 PHE 205 H 0.51 0.49 -0.03 -0.55 8.34 8.76 2bg9A1 PHE 205 HA 0.30 0.11 0.90 -0.75 4.62 5.17 2bg9A1 PHE 205 HB2 0.14 -0.07 0.27 -0.04 3.15 3.45 2bg9A1 PHE 205 HB3 0.17 0.03 0.03 -0.04 3.06 3.24 2bg9A1 PHE 205 HD2 0.25 0.03 -0.18 -0.04 7.28 7.34 2bg9A1 PHE 205 HE2 0.40 -0.01 -0.11 -0.04 7.38 7.62 2bg9A1 PHE 205 HZ 0.26 -0.00 -0.11 -0.04 7.32 7.43 2bg9A1 ILE 206 H 0.19 0.52 0.25 -0.55 8.25 8.66 2bg9A1 ILE 206 HA 0.15 0.30 1.03 -0.75 4.18 4.90 2bg9A1 ILE 206 HB 0.10 -0.01 0.31 -0.04 1.89 2.25 2bg9A1 ILE 206 HG12 0.13 0.03 -0.08 -0.04 1.49 1.54 2bg9A1 ILE 206 HG13 0.18 -0.03 -0.21 -0.04 1.21 1.12 2bg9A1 ILE 206 HG23 0.07 0.01 -0.09 -0.04 0.93 0.88 2bg9A1 ILE 206 HD13 0.19 -0.02 -0.22 -0.04 0.88 0.79 2bg9A1 MET 207 H 0.11 0.43 0.11 -0.55 8.47 8.57 2bg9A1 MET 207 HA 0.03 0.02 0.41 -0.75 4.52 4.23 2bg9A1 MET 207 HB2 0.12 0.32 -0.41 -0.04 2.15 2.14 2bg9A1 MET 207 HB3 0.11 -0.14 -0.07 -0.04 2.03 1.89 2bg9A1 MET 207 HG2 0.22 0.08 -0.27 -0.04 2.63 2.62 2bg9A1 MET 207 HG3 0.75 -0.08 -0.23 -0.04 2.56 2.96 2bg9A1 MET 207 HE3 0.00 0.02 0.26 -0.04 2.10 2.34 2bg9A1 GLN 208 H 0.03 0.43 0.23 -0.55 8.47 8.61 2bg9A1 GLN 208 HA -0.03 0.13 0.71 -0.75 4.36 4.41 2bg9A1 GLN 208 HB2 0.11 0.04 0.02 -0.04 2.15 2.28 2bg9A1 GLN 208 HB3 0.05 -0.05 -0.11 -0.04 2.02 1.87 2bg9A1 GLN 208 HG2 0.02 -0.02 0.03 -0.04 2.40 2.39 2bg9A1 GLN 208 HG3 0.06 0.02 -0.10 -0.04 2.39 2.33 2bg9A1 GLN 208 HE21 -0.05 0.05 -0.08 -0.04 6.97 6.86 2bg9A1 GLN 208 HE22 -0.02 -0.07 -0.07 -0.04 7.69 7.50 2bg9A1 ARG 209 H -0.05 0.39 0.18 -0.55 8.46 8.43 2bg9A1 ARG 209 HA 0.23 -0.04 0.61 -0.75 4.34 4.38 2bg9A1 ARG 209 HB2 0.01 0.06 0.13 -0.04 1.90 2.06 2bg9A1 ARG 209 HB3 -0.49 0.15 0.24 -0.04 1.80 1.66 2bg9A1 ARG 209 HG2 0.26 -0.01 0.15 -0.04 1.67 2.03 2bg9A1 ARG 209 HG3 0.33 0.46 0.15 -0.04 1.67 2.57 2bg9A1 ARG 209 HD2 0.54 -0.02 -0.15 -0.04 3.22 3.55 2bg9A1 ARG 209 HD3 0.44 0.01 -0.06 -0.04 3.22 3.57 2bg9A1 ILE 210 H 0.04 0.11 0.22 -0.55 8.25 8.08 2bg9A1 ILE 210 HA 0.14 -0.03 0.39 -0.75 4.18 3.93 2bg9A1 ILE 210 HB 0.14 0.03 0.05 -0.04 1.89 2.07 2bg9A1 ILE 210 HG12 -2.28 0.00 -0.08 -0.04 1.49 -0.91 2bg9A1 ILE 210 HG13 -0.52 -0.22 -0.97 -0.04 1.21 -0.54 2bg9A1 ILE 210 HG23 0.30 -0.01 -0.10 -0.04 0.93 1.08 2bg9A1 ILE 210 HD13 -0.51 -0.01 -0.13 -0.04 0.88 0.19 2bg9A1 PRO 211 HA 0.18 0.11 0.51 -0.51 4.44 4.73 2bg9A1 PRO 211 HB2 0.35 -0.12 0.08 -0.04 2.28 2.55 2bg9A1 PRO 211 HB3 0.21 0.14 0.12 -0.04 2.02 2.45 2bg9A1 PRO 211 HG2 0.37 -0.08 0.19 -0.04 2.03 2.48 2bg9A1 PRO 211 HG3 0.30 0.04 0.16 -0.04 2.03 2.49 2bg9A1 PRO 211 HD2 0.30 -0.02 0.33 -0.04 3.68 4.25 2bg9A1 PRO 211 HD3 0.29 0.61 0.32 -0.04 3.65 4.82 2bg9A1 LEU 212 H 0.15 0.21 0.18 -0.55 8.37 8.37 2bg9A1 LEU 212 HA 0.12 0.09 0.34 -0.75 4.35 4.14 2bg9A1 LEU 212 HB2 0.11 0.00 0.06 -0.04 1.64 1.77 2bg9A1 LEU 212 HB3 0.08 -0.02 0.11 -0.04 1.64 1.77 2bg9A1 LEU 212 HG 0.09 0.06 0.14 -0.04 1.64 1.89 2bg9A1 LEU 212 HD13 0.04 0.01 0.03 -0.04 0.93 0.97 2bg9A1 LEU 212 HD23 0.08 0.02 0.03 -0.04 0.89 0.98 2bg9A1 TYR 213 H 0.35 0.14 -0.30 -0.55 8.29 7.92 2bg9A1 TYR 213 HA 0.10 0.06 0.39 -0.75 4.56 4.36 2bg9A1 TYR 213 HB2 0.09 0.03 0.07 -0.04 3.06 3.21 2bg9A1 TYR 213 HB3 0.10 0.02 0.09 -0.04 2.98 3.15 2bg9A1 TYR 213 HD2 0.13 -0.01 -0.10 -0.04 7.15 7.13 2bg9A1 TYR 213 HE2 0.09 0.03 -0.00 -0.04 6.85 6.93 2bg9A1 PHE 214 H -0.88 0.25 -0.10 -0.55 8.34 7.07 2bg9A1 PHE 214 HA -0.57 0.00 0.31 -0.75 4.62 3.60 2bg9A1 PHE 214 HB2 -0.71 0.01 0.11 -0.04 3.15 2.52 2bg9A1 PHE 214 HB3 -0.23 0.14 0.08 -0.04 3.06 3.00 2bg9A1 PHE 214 HD2 0.00 -0.01 0.01 -0.04 7.28 7.24 2bg9A1 PHE 214 HE2 0.08 -0.00 -0.04 -0.04 7.38 7.38 2bg9A1 PHE 214 HZ 0.03 -0.00 -0.03 -0.04 7.32 7.28 2bg9A1 VAL 215 H -0.05 0.14 -0.40 -0.55 8.24 7.38 2bg9A1 VAL 215 HA -0.27 -0.02 0.31 -0.75 4.13 3.40 2bg9A1 VAL 215 HB 0.02 0.10 0.15 -0.04 2.12 2.34 2bg9A1 VAL 215 HG13 0.02 -0.01 -0.01 -0.04 0.97 0.93 2bg9A1 VAL 215 HG23 0.06 -0.05 0.02 -0.04 0.95 0.93 2bg9A1 VAL 216 H 0.03 0.36 -0.08 -0.55 8.24 8.00 2bg9A1 VAL 216 HA 0.02 0.00 0.31 -0.75 4.13 3.72 2bg9A1 VAL 216 HB 0.08 0.04 0.16 -0.04 2.12 2.36 2bg9A1 VAL 216 HG13 0.05 -0.01 -0.10 -0.04 0.97 0.87 2bg9A1 VAL 216 HG23 0.05 0.02 0.05 -0.04 0.95 1.04 2bg9A1 ASN 217 H 0.10 0.31 0.02 -0.55 8.53 8.42 2bg9A1 ASN 217 HA 0.10 -0.01 0.41 -0.75 4.76 4.50 2bg9A1 ASN 217 HB2 0.17 -0.02 0.11 -0.04 2.88 3.10 2bg9A1 ASN 217 HB3 0.18 0.05 0.12 -0.04 2.79 3.09 2bg9A1 ASN 217 HD21 0.12 -0.02 -0.06 -0.04 7.03 7.03 2bg9A1 ASN 217 HD22 0.18 0.01 -0.08 -0.04 7.74 7.80 2bg9A1 VAL 218 H 0.06 0.46 -0.10 -0.55 8.24 8.11 2bg9A1 VAL 218 HA 0.12 0.04 0.48 -0.75 4.13 4.02 2bg9A1 VAL 218 HB 0.12 0.02 0.10 -0.04 2.12 2.32 2bg9A1 VAL 218 HG13 -0.15 0.05 -0.07 -0.04 0.97 0.77 2bg9A1 VAL 218 HG23 0.15 -0.02 -0.02 -0.04 0.95 1.02 2bg9A1 ILE 219 H -0.00 0.55 0.08 -0.55 8.25 8.33 2bg9A1 ILE 219 HA 0.08 0.04 0.51 -0.75 4.18 4.05 2bg9A1 ILE 219 HB 0.01 0.14 0.13 -0.04 1.89 2.13 2bg9A1 ILE 219 HG12 0.07 -0.04 0.03 -0.04 1.49 1.51 2bg9A1 ILE 219 HG13 0.02 0.04 0.05 -0.04 1.21 1.27 2bg9A1 ILE 219 HG23 0.02 -0.02 -0.05 -0.04 0.93 0.83 2bg9A1 ILE 219 HD13 0.03 -0.00 -0.00 -0.04 0.88 0.86 2bg9A1 ILE 220 H 0.06 0.51 -0.30 -0.55 8.25 7.96 2bg9A1 ILE 220 HA 0.04 0.04 0.61 -0.75 4.18 4.12 2bg9A1 ILE 220 HB 0.07 0.14 0.08 -0.04 1.89 2.14 2bg9A1 ILE 220 HG12 0.03 -0.08 -0.03 -0.04 1.49 1.38 2bg9A1 ILE 220 HG13 0.04 0.26 0.10 -0.04 1.21 1.57 2bg9A1 ILE 220 HG23 0.05 -0.03 -0.02 -0.04 0.93 0.89 2bg9A1 ILE 220 HD13 0.04 -0.03 -0.04 -0.04 0.88 0.81 2bg9A1 PRO 221 HA 0.14 0.04 0.60 -0.51 4.44 4.71 2bg9A1 PRO 221 HB2 0.19 -0.03 0.08 -0.04 2.28 2.49 2bg9A1 PRO 221 HB3 0.13 0.03 0.14 -0.04 2.02 2.28 2bg9A1 PRO 221 HG2 0.17 0.05 0.04 -0.04 2.03 2.25 2bg9A1 PRO 221 HG3 0.14 -0.01 0.12 -0.04 2.03 2.24 2bg9A1 PRO 221 HD2 0.10 0.17 -0.32 -0.04 3.68 3.59 2bg9A1 PRO 221 HD3 0.10 0.59 0.37 -0.04 3.65 4.68 2bg9A1 CYS 222 H 0.12 0.35 -0.62 -0.55 8.50 7.80 2bg9A1 CYS 222 HA 0.42 0.06 0.52 -0.75 4.58 4.83 2bg9A1 CYS 222 HB2 0.09 0.27 0.19 -0.04 2.97 3.48 2bg9A1 CYS 222 HB3 0.08 -0.05 -0.02 -0.04 2.97 2.94 2bg9A1 LEU 223 H 0.00 0.51 0.09 -0.55 8.37 8.42 2bg9A1 LEU 223 HA -0.13 0.05 0.57 -0.75 4.35 4.08 2bg9A1 LEU 223 HB2 -0.00 0.08 0.12 -0.04 1.64 1.79 2bg9A1 LEU 223 HB3 -0.04 -0.03 0.09 -0.04 1.64 1.62 2bg9A1 LEU 223 HG -0.02 0.19 0.13 -0.04 1.64 1.90 2bg9A1 LEU 223 HD13 -0.03 -0.01 0.01 -0.04 0.93 0.86 2bg9A1 LEU 223 HD23 -0.07 -0.02 -0.03 -0.04 0.89 0.73 2bg9A1 LEU 224 H 0.06 0.40 -0.54 -0.55 8.37 7.74 2bg9A1 LEU 224 HA 0.13 0.03 0.40 -0.75 4.35 4.16 2bg9A1 LEU 224 HB2 0.14 -0.01 0.11 -0.04 1.64 1.83 2bg9A1 LEU 224 HB3 0.14 -0.18 0.40 -0.04 1.64 1.96 2bg9A1 LEU 224 HG 0.25 0.07 -0.05 -0.04 1.64 1.87 2bg9A1 LEU 224 HD13 0.17 -0.04 -0.17 -0.04 0.93 0.85 2bg9A1 LEU 224 HD23 0.22 -0.03 0.10 -0.04 0.89 1.14 2bg9A1 PHE 225 H 0.21 1.10 0.06 -0.55 8.34 9.17 2bg9A1 PHE 225 HA 0.09 -0.05 0.42 -0.75 4.62 4.33 2bg9A1 PHE 225 HB2 0.07 -0.07 0.11 -0.04 3.15 3.22 2bg9A1 PHE 225 HB3 0.10 0.31 0.26 -0.04 3.06 3.69 2bg9A1 PHE 225 HD2 0.08 -0.08 -0.07 -0.04 7.28 7.17 2bg9A1 PHE 225 HE2 0.09 -0.04 -0.05 -0.04 7.38 7.34 2bg9A1 PHE 225 HZ 0.08 -0.01 -0.03 -0.04 7.32 7.32 2bg9A1 SER 226 H -0.43 0.59 -0.56 -0.55 8.46 7.51 2bg9A1 SER 226 HA -0.41 -0.03 0.34 -0.75 4.49 3.63 2bg9A1 SER 226 HB2 -0.11 0.29 0.29 -0.04 3.95 4.38 2bg9A1 SER 226 HB3 -0.08 -0.08 0.07 -0.04 3.93 3.80 2bg9A1 PHE 227 H 0.18 0.63 -0.16 -0.55 8.34 8.43 2bg9A1 PHE 227 HA 0.14 -0.01 0.37 -0.75 4.62 4.37 2bg9A1 PHE 227 HB2 0.06 0.06 0.16 -0.04 3.15 3.38 2bg9A1 PHE 227 HB3 0.07 0.10 0.12 -0.04 3.06 3.31 2bg9A1 PHE 227 HD2 0.12 -0.03 0.05 -0.04 7.28 7.38 2bg9A1 PHE 227 HE2 0.08 0.00 -0.04 -0.04 7.38 7.38 2bg9A1 PHE 227 HZ 0.02 0.00 -0.03 -0.04 7.32 7.28 2bg9A1 LEU 228 H 0.19 0.49 -0.07 -0.55 8.37 8.44 2bg9A1 LEU 228 HA -0.05 0.05 0.51 -0.75 4.35 4.10 2bg9A1 LEU 228 HB2 0.14 0.06 0.16 -0.04 1.64 1.95 2bg9A1 LEU 228 HB3 0.04 -0.02 -0.05 -0.04 1.64 1.57 2bg9A1 LEU 228 HG 0.07 0.03 -0.01 -0.04 1.64 1.69 2bg9A1 LEU 228 HD13 -0.01 -0.01 -0.02 -0.04 0.93 0.85 2bg9A1 LEU 228 HD23 -0.04 -0.01 0.00 -0.04 0.89 0.80 2bg9A1 THR 229 H 0.24 1.02 0.00 -0.55 8.28 9.00 2bg9A1 THR 229 HA 0.02 0.04 0.51 -0.75 4.39 4.20 2bg9A1 THR 229 HB 0.34 0.09 0.09 -0.04 4.32 4.81 2bg9A1 THR 229 HG23 -0.09 -0.02 0.00 -0.04 1.22 1.07 2bg9A1 VAL 230 H 0.31 0.73 -0.08 -0.55 8.24 8.64 2bg9A1 VAL 230 HA -0.01 -0.03 0.41 -0.75 4.13 3.74 2bg9A1 VAL 230 HB 0.67 -0.05 0.39 -0.04 2.12 3.09 2bg9A1 VAL 230 HG13 0.87 -0.03 -0.12 -0.04 0.97 1.64 2bg9A1 VAL 230 HG23 0.35 0.07 -0.12 -0.04 0.95 1.21 2bg9A1 LEU 231 H 0.19 0.52 -0.34 -0.55 8.37 8.19 2bg9A1 LEU 231 HA 0.19 -0.04 0.56 -0.75 4.35 4.30 2bg9A1 LEU 231 HB2 -0.05 0.14 0.26 -0.04 1.64 1.95 2bg9A1 LEU 231 HB3 -0.05 -0.09 0.06 -0.04 1.64 1.52 2bg9A1 LEU 231 HG -0.78 0.34 0.04 -0.04 1.64 1.20 2bg9A1 LEU 231 HD13 -0.45 -0.04 -0.04 -0.04 0.93 0.37 2bg9A1 LEU 231 HD23 -0.33 -0.03 -0.02 -0.04 0.89 0.48 2bg9A1 VAL 232 H 0.11 0.29 -0.36 -0.55 8.24 7.73 2bg9A1 VAL 232 HA 0.05 -0.05 0.36 -0.75 4.13 3.73 2bg9A1 VAL 232 HB -0.14 -0.04 0.44 -0.04 2.12 2.34 2bg9A1 VAL 232 HG13 -0.29 -0.03 -0.07 -0.04 0.97 0.53 2bg9A1 VAL 232 HG23 -0.05 0.01 -0.01 -0.04 0.95 0.86 2bg9A1 PHE 233 H 0.34 0.17 -0.86 -0.55 8.34 7.45 2bg9A1 PHE 233 HA -0.14 0.09 0.61 -0.75 4.62 4.42 2bg9A1 PHE 233 HB2 -0.31 0.08 0.18 -0.04 3.15 3.06 2bg9A1 PHE 233 HB3 -0.29 -0.09 0.01 -0.04 3.06 2.65 2bg9A1 PHE 233 HD2 -0.21 0.01 0.21 -0.04 7.28 7.24 2bg9A1 PHE 233 HE2 -0.18 -0.10 -0.31 -0.04 7.38 6.74 2bg9A1 PHE 233 HZ -0.16 -0.06 -0.12 -0.04 7.32 6.93 2bg9A1 TYR 234 H 0.32 0.66 0.21 -0.55 8.29 8.93 2bg9A1 TYR 234 HA 0.12 -0.00 0.43 -0.75 4.56 4.35 2bg9A1 TYR 234 HB2 0.21 0.12 0.19 -0.04 3.06 3.54 2bg9A1 TYR 234 HB3 0.13 -0.04 -0.01 -0.04 2.98 3.02 2bg9A1 TYR 234 HD2 0.26 0.04 0.04 -0.04 7.15 7.45 2bg9A1 TYR 234 HE2 0.13 -0.02 -0.01 -0.04 6.85 6.91 2bg9A1 LEU 235 H 0.16 1.04 -0.04 -0.55 8.37 8.99 2bg9A1 LEU 235 HA 0.10 -0.05 0.41 -0.75 4.35 4.06 2bg9A1 LEU 235 HB2 0.07 -0.03 0.06 -0.04 1.64 1.70 2bg9A1 LEU 235 HB3 0.10 0.08 -0.01 -0.04 1.64 1.76 2bg9A1 LEU 235 HG 0.07 -0.05 0.02 -0.04 1.64 1.63 2bg9A1 LEU 235 HD13 0.02 -0.03 -0.05 -0.04 0.93 0.83 2bg9A1 LEU 235 HD23 0.09 -0.00 -0.18 -0.04 0.89 0.76 2bg9A1 PRO 236 HA 0.06 0.09 0.23 -0.51 4.44 4.31 2bg9A1 PRO 236 HB2 -0.32 -0.01 -0.03 -0.04 2.28 1.88 2bg9A1 PRO 236 HB3 -0.68 -0.00 0.08 -0.04 2.02 1.37 2bg9A1 PRO 236 HG2 -0.10 0.11 0.19 -0.04 2.03 2.18 2bg9A1 PRO 236 HG3 -0.33 0.20 0.20 -0.04 2.03 2.07 2bg9A1 PRO 236 HD2 0.06 -0.12 -0.87 -0.04 3.68 2.72 2bg9A1 PRO 236 HD3 0.04 0.12 -0.07 -0.04 3.65 3.69 2bg9A1 THR 237 H 0.01 0.44 -0.11 -0.55 8.28 8.07 2bg9A1 THR 237 HA 0.01 0.07 0.39 -0.75 4.39 4.11 2bg9A1 THR 237 HB -0.00 0.00 -0.10 -0.04 4.32 4.18 2bg9A1 THR 237 HG23 0.10 0.03 -0.08 -0.04 1.22 1.23 2bg9A1 ASP 238 H 0.11 0.38 -0.39 -0.55 8.40 7.94 2bg9A1 ASP 238 HA 0.07 0.08 0.72 -0.75 4.63 4.74 2bg9A1 ASP 238 HB2 0.18 0.29 0.13 -0.04 2.71 3.26 2bg9A1 ASP 238 HB3 0.09 -0.03 0.01 -0.04 2.70 2.73 2bg9A1 SER 239 H 0.08 0.16 -0.49 -0.55 8.46 7.67 2bg9A1 SER 239 HA 0.08 -0.05 0.40 -0.75 4.49 4.17 2bg9A1 SER 239 HB2 0.06 0.13 -0.13 -0.04 3.95 3.97 2bg9A1 SER 239 HB3 0.08 0.00 0.15 -0.04 3.93 4.13 2bg9A1 GLY 240 H 0.15 0.19 0.11 -0.55 8.43 8.33 2bg9A1 GLY 240 HA2 0.32 0.12 0.64 -0.51 4.01 4.58 2bg9A1 GLY 240 HA3 0.42 0.12 0.40 -0.51 4.01 4.44 2bg9A1 GLU 241 H 0.14 0.09 -0.44 -0.55 8.60 7.84 2bg9A1 GLU 241 HA 0.08 0.13 0.44 -0.75 4.29 4.18 2bg9A1 GLU 241 HB2 0.07 0.01 0.08 -0.04 2.09 2.21 2bg9A1 GLU 241 HB3 0.07 0.02 -0.00 -0.04 1.99 2.04 2bg9A1 GLU 241 HG2 0.04 -0.03 0.03 -0.04 2.34 2.35 2bg9A1 GLU 241 HG3 0.03 0.02 0.10 -0.04 2.34 2.45 2bg9A1 LYS 242 H 0.14 0.32 -0.39 -0.55 8.42 7.93 2bg9A1 LYS 242 HA 0.07 0.19 1.02 -0.75 4.32 4.85 2bg9A1 LYS 242 HB2 0.04 -0.09 0.14 -0.04 1.87 1.92 2bg9A1 LYS 242 HB3 0.05 0.05 -0.13 -0.04 1.79 1.71 2bg9A1 LYS 242 HG2 0.08 0.13 -0.04 -0.04 1.46 1.59 2bg9A1 LYS 242 HG3 0.06 -0.02 0.01 -0.04 1.46 1.47 2bg9A1 LYS 242 HD2 0.03 -0.04 -0.01 -0.04 1.69 1.62 2bg9A1 LYS 242 HD3 0.04 0.00 -0.04 -0.04 1.68 1.64 2bg9A1 LYS 242 HE2 0.05 0.09 -0.02 -0.04 2.99 3.06 2bg9A1 LYS 242 HE3 0.03 -0.01 -0.04 -0.04 2.99 2.94 2bg9A1 MET 243 H 0.21 0.40 -0.29 -0.55 8.47 8.25 2bg9A1 MET 243 HA 0.11 0.13 0.41 -0.75 4.52 4.42 2bg9A1 MET 243 HB2 -0.02 0.07 0.00 -0.04 2.15 2.16 2bg9A1 MET 243 HB3 0.04 0.17 0.14 -0.04 2.03 2.33 2bg9A1 MET 243 HG2 0.15 -0.33 0.12 -0.04 2.63 2.52 2bg9A1 MET 243 HG3 0.51 0.15 0.07 -0.04 2.56 3.24 2bg9A1 MET 243 HE3 0.08 -0.04 0.05 -0.04 2.10 2.16 2bg9A1 THR 244 H 0.08 0.20 -0.03 -0.55 8.28 7.99 2bg9A1 THR 244 HA 0.02 0.12 0.40 -0.75 4.39 4.18 2bg9A1 THR 244 HB 0.02 0.09 0.10 -0.04 4.32 4.48 2bg9A1 THR 244 HG23 0.02 0.02 -0.02 -0.04 1.22 1.21 2bg9A1 LEU 245 H 0.03 0.04 -0.40 -0.55 8.37 7.50 2bg9A1 LEU 245 HA 0.00 0.01 0.31 -0.75 4.35 3.93 2bg9A1 LEU 245 HB2 0.03 -0.06 0.13 -0.04 1.64 1.70 2bg9A1 LEU 245 HB3 0.02 0.26 0.11 -0.04 1.64 2.00 2bg9A1 LEU 245 HG 0.00 -0.01 -0.03 -0.04 1.64 1.56 2bg9A1 LEU 245 HD13 0.01 -0.01 0.05 -0.04 0.93 0.94 2bg9A1 LEU 245 HD23 0.02 0.01 -0.00 -0.04 0.89 0.87 2bg9A1 SER 246 H -0.01 0.53 -0.42 -0.55 8.46 8.02 2bg9A1 SER 246 HA -0.04 -0.05 0.39 -0.75 4.49 4.03 2bg9A1 SER 246 HB2 -0.01 0.13 0.13 -0.04 3.95 4.17 2bg9A1 SER 246 HB3 -0.17 0.10 0.05 -0.04 3.93 3.87 2bg9A1 ILE 247 H -0.05 0.27 -0.27 -0.55 8.25 7.65 2bg9A1 ILE 247 HA -0.09 -0.01 0.38 -0.75 4.18 3.71 2bg9A1 ILE 247 HB -0.00 -0.11 0.26 -0.04 1.89 2.00 2bg9A1 ILE 247 HG12 0.04 0.02 0.04 -0.04 1.49 1.55 2bg9A1 ILE 247 HG13 -0.00 -0.03 -0.01 -0.04 1.21 1.13 2bg9A1 ILE 247 HG23 -0.02 0.08 -0.09 -0.04 0.93 0.87 2bg9A1 ILE 247 HD13 -0.03 -0.03 0.01 -0.04 0.88 0.79 2bg9A1 SER 248 H -0.03 0.50 -0.28 -0.55 8.46 8.10 2bg9A1 SER 248 HA -0.04 -0.03 0.47 -0.75 4.49 4.13 2bg9A1 SER 248 HB2 -0.02 -0.09 0.05 -0.04 3.95 3.85 2bg9A1 SER 248 HB3 -0.02 -0.01 0.12 -0.04 3.93 3.98 2bg9A1 VAL 249 H -0.07 0.27 -0.07 -0.55 8.24 7.83 2bg9A1 VAL 249 HA -0.13 -0.03 0.59 -0.75 4.13 3.80 2bg9A1 VAL 249 HB -0.07 0.06 0.18 -0.04 2.12 2.26 2bg9A1 VAL 249 HG13 -0.09 -0.02 -0.33 -0.04 0.97 0.49 2bg9A1 VAL 249 HG23 -0.08 -0.02 0.03 -0.04 0.95 0.85 2bg9A1 LEU 250 H -0.11 0.75 -0.11 -0.55 8.37 8.36 2bg9A1 LEU 250 HA -0.13 -0.03 0.43 -0.75 4.35 3.86 2bg9A1 LEU 250 HB2 -0.11 0.18 0.16 -0.04 1.64 1.83 2bg9A1 LEU 250 HB3 -0.12 -0.07 0.04 -0.04 1.64 1.46 2bg9A1 LEU 250 HG -0.14 -0.01 0.02 -0.04 1.64 1.47 2bg9A1 LEU 250 HD13 -0.23 0.02 -0.11 -0.04 0.93 0.56 2bg9A1 LEU 250 HD23 -0.14 -0.02 0.03 -0.04 0.89 0.71 2bg9A1 LEU 251 H -0.09 0.46 -0.30 -0.55 8.37 7.89 2bg9A1 LEU 251 HA -0.07 0.01 0.54 -0.75 4.35 4.07 2bg9A1 LEU 251 HB2 -0.06 0.09 0.24 -0.04 1.64 1.87 2bg9A1 LEU 251 HB3 -0.04 -0.07 0.04 -0.04 1.64 1.53 2bg9A1 LEU 251 HG -0.05 0.30 0.10 -0.04 1.64 1.95 2bg9A1 LEU 251 HD13 -0.02 -0.02 -0.01 -0.04 0.93 0.83 2bg9A1 LEU 251 HD23 -0.04 -0.02 -0.02 -0.04 0.89 0.77 2bg9A1 SER 252 H -0.15 0.72 0.17 -0.55 8.46 8.65 2bg9A1 SER 252 HA -0.15 -0.01 0.44 -0.75 4.49 4.01 2bg9A1 SER 252 HB2 -0.48 -0.06 0.07 -0.04 3.95 3.45 2bg9A1 SER 252 HB3 -0.13 -0.00 0.13 -0.04 3.93 3.89 2bg9A1 LEU 253 H -0.32 0.89 -0.24 -0.55 8.37 8.15 2bg9A1 LEU 253 HA -0.76 0.16 1.10 -0.75 4.35 4.09 2bg9A1 LEU 253 HB2 -0.13 -0.07 0.08 -0.04 1.64 1.48 2bg9A1 LEU 253 HB3 -0.28 -0.02 0.04 -0.04 1.64 1.34 2bg9A1 LEU 253 HG -0.15 0.13 0.02 -0.04 1.64 1.60 2bg9A1 LEU 253 HD13 -0.17 -0.01 -0.10 -0.04 0.93 0.61 2bg9A1 LEU 253 HD23 -0.02 -0.02 -0.07 -0.04 0.89 0.73 2bg9A1 THR 254 H -0.14 0.61 0.11 -0.55 8.28 8.31 2bg9A1 THR 254 HA -0.10 0.04 0.46 -0.75 4.39 4.04 2bg9A1 THR 254 HB -0.08 0.19 0.20 -0.04 4.32 4.59 2bg9A1 THR 254 HG23 -0.03 -0.01 -0.19 -0.04 1.22 0.94 2bg9A1 VAL 255 H -0.05 0.49 -0.29 -0.55 8.24 7.83 2bg9A1 VAL 255 HA 0.05 0.01 0.47 -0.75 4.13 3.91 2bg9A1 VAL 255 HB 0.03 0.30 0.16 -0.04 2.12 2.56 2bg9A1 VAL 255 HG13 0.24 0.02 -0.04 -0.04 0.97 1.15 2bg9A1 VAL 255 HG23 0.05 -0.03 0.04 -0.04 0.95 0.98 2bg9A1 PHE 256 H 0.23 0.40 -0.26 -0.55 8.34 8.15 2bg9A1 PHE 256 HA 0.02 -0.03 0.47 -0.75 4.62 4.33 2bg9A1 PHE 256 HB2 0.02 0.17 0.27 -0.04 3.15 3.57 2bg9A1 PHE 256 HB3 0.04 -0.08 0.06 -0.04 3.06 3.04 2bg9A1 PHE 256 HD2 0.03 -0.19 0.04 -0.04 7.28 7.13 2bg9A1 PHE 256 HE2 0.02 -0.08 0.04 -0.04 7.38 7.32 2bg9A1 PHE 256 HZ 0.02 -0.06 0.01 -0.04 7.32 7.25 2bg9A1 LEU 257 H 0.09 0.60 -0.22 -0.55 8.37 8.30 2bg9A1 LEU 257 HA 0.08 -0.00 0.50 -0.75 4.35 4.17 2bg9A1 LEU 257 HB2 -0.03 0.11 0.23 -0.04 1.64 1.91 2bg9A1 LEU 257 HB3 -0.02 -0.06 0.01 -0.04 1.64 1.54 2bg9A1 LEU 257 HG -0.21 0.00 -0.01 -0.04 1.64 1.39 2bg9A1 LEU 257 HD13 -0.13 -0.01 0.04 -0.04 0.93 0.79 2bg9A1 LEU 257 HD23 -0.00 -0.01 -0.02 -0.04 0.89 0.82 2bg9A1 LEU 258 H 0.06 0.46 -0.22 -0.55 8.37 8.12 2bg9A1 LEU 258 HA 0.02 0.02 0.48 -0.75 4.35 4.11 2bg9A1 LEU 258 HB2 0.04 0.09 0.25 -0.04 1.64 1.98 2bg9A1 LEU 258 HB3 0.02 -0.08 0.06 -0.04 1.64 1.60 2bg9A1 LEU 258 HG 0.01 0.49 -0.11 -0.04 1.64 1.99 2bg9A1 LEU 258 HD13 0.01 -0.03 -0.02 -0.04 0.93 0.85 2bg9A1 LEU 258 HD23 -0.01 -0.03 -0.04 -0.04 0.89 0.77 2bg9A1 VAL 259 H 0.07 0.80 0.06 -0.55 8.24 8.61 2bg9A1 VAL 259 HA 0.02 0.01 0.43 -0.75 4.13 3.84 2bg9A1 VAL 259 HB 0.00 0.06 0.06 -0.04 2.12 2.20 2bg9A1 VAL 259 HG13 -0.00 -0.02 0.06 -0.04 0.97 0.96 2bg9A1 VAL 259 HG23 0.05 0.18 0.08 -0.04 0.95 1.22 2bg9A1 ILE 260 H 0.06 0.43 -0.39 -0.55 8.25 7.80 2bg9A1 ILE 260 HA 0.04 0.01 0.46 -0.75 4.18 3.94 2bg9A1 ILE 260 HB 0.08 0.22 0.18 -0.04 1.89 2.33 2bg9A1 ILE 260 HG12 0.12 0.00 0.02 -0.04 1.49 1.59 2bg9A1 ILE 260 HG13 0.09 -0.10 0.11 -0.04 1.21 1.28 2bg9A1 ILE 260 HG23 0.07 0.10 -0.10 -0.04 0.93 0.96 2bg9A1 ILE 260 HD13 0.09 -0.00 0.01 -0.04 0.88 0.94 2bg9A1 VAL 261 H 0.03 0.36 -0.51 -0.55 8.24 7.57 2bg9A1 VAL 261 HA 0.02 -0.02 0.48 -0.75 4.13 3.85 2bg9A1 VAL 261 HB 0.01 0.45 0.27 -0.04 2.12 2.81 2bg9A1 VAL 261 HG13 -0.01 -0.04 -0.14 -0.04 0.97 0.74 2bg9A1 VAL 261 HG23 0.01 0.02 0.07 -0.04 0.95 1.00 2bg9A1 GLU 262 H 0.01 0.30 -0.22 -0.55 8.60 8.14 2bg9A1 GLU 262 HA -0.01 0.05 0.56 -0.75 4.29 4.14 2bg9A1 GLU 262 HB2 -0.00 0.13 0.15 -0.04 2.09 2.33 2bg9A1 GLU 262 HB3 -0.01 -0.03 0.04 -0.04 1.99 1.94 2bg9A1 GLU 262 HG2 -0.01 -0.03 0.03 -0.04 2.34 2.30 2bg9A1 GLU 262 HG3 0.00 0.08 0.05 -0.04 2.34 2.44 2bg9A1 LEU 263 H 0.00 0.30 -0.21 -0.55 8.37 7.92 2bg9A1 LEU 263 HA -0.02 0.04 0.45 -0.75 4.35 4.08 2bg9A1 LEU 263 HB2 0.02 0.11 0.18 -0.04 1.64 1.91 2bg9A1 LEU 263 HB3 0.01 -0.05 0.08 -0.04 1.64 1.64 2bg9A1 LEU 263 HG 0.01 0.48 0.29 -0.04 1.64 2.37 2bg9A1 LEU 263 HD13 0.01 -0.03 0.01 -0.04 0.93 0.88 2bg9A1 LEU 263 HD23 -0.00 -0.05 -0.08 -0.04 0.89 0.72 2bg9A1 ILE 264 H 0.00 0.57 0.02 -0.55 8.25 8.30 2bg9A1 ILE 264 HA -0.11 0.08 0.62 -0.75 4.18 4.02 2bg9A1 ILE 264 HB 0.04 -0.05 0.13 -0.04 1.89 1.96 2bg9A1 ILE 264 HG12 0.02 0.14 0.05 -0.04 1.49 1.66 2bg9A1 ILE 264 HG13 -0.01 -0.05 -0.43 -0.04 1.21 0.68 2bg9A1 ILE 264 HG23 0.10 0.17 0.09 -0.04 0.93 1.24 2bg9A1 ILE 264 HD13 0.09 -0.02 -0.04 -0.04 0.88 0.87 2bg9A1 PRO 265 HA -0.08 0.09 0.66 -0.51 4.44 4.60 2bg9A1 PRO 265 HB2 -0.05 -0.03 0.04 -0.04 2.28 2.19 2bg9A1 PRO 265 HB3 -0.04 0.05 0.13 -0.04 2.02 2.12 2bg9A1 PRO 265 HG2 -0.04 0.01 0.02 -0.04 2.03 1.98 2bg9A1 PRO 265 HG3 -0.03 0.09 0.26 -0.04 2.03 2.31 2bg9A1 PRO 265 HD2 -0.04 0.27 -1.04 -0.04 3.68 2.83 2bg9A1 PRO 265 HD3 -0.02 0.33 -0.52 -0.04 3.65 3.40 2bg9A1 SER 266 H -0.06 0.49 -0.14 -0.55 8.46 8.21 2bg9A1 SER 266 HA -0.06 0.06 0.48 -0.75 4.49 4.22 2bg9A1 SER 266 HB2 -0.05 -0.04 0.01 -0.04 3.95 3.83 2bg9A1 SER 266 HB3 -0.04 -0.01 0.12 -0.04 3.93 3.96 2bg9A1 THR 267 H -0.10 0.16 -0.44 -0.55 8.28 7.35 2bg9A1 THR 267 HA -0.13 0.05 0.39 -0.75 4.39 3.95 2bg9A1 THR 267 HB -0.23 0.32 0.18 -0.04 4.32 4.55 2bg9A1 THR 267 HG23 -0.43 -0.01 -0.05 -0.04 1.22 0.69 2bg9A1 SER 268 H -0.15 0.31 -0.36 -0.55 8.46 7.72 2bg9A1 SER 268 HA -0.27 0.05 0.44 -0.75 4.49 3.96 2bg9A1 SER 268 HB2 -0.15 -0.06 0.22 -0.04 3.95 3.92 2bg9A1 SER 268 HB3 -0.11 -0.18 0.48 -0.04 3.93 4.07 2bg9A1 SER 269 H -0.11 0.54 -0.31 -0.55 8.46 8.04 2bg9A1 SER 269 HA -0.10 0.02 0.50 -0.75 4.49 4.16 2bg9A1 SER 269 HB2 -0.07 -0.02 0.18 -0.04 3.95 4.01 2bg9A1 SER 269 HB3 -0.06 -0.06 0.04 -0.04 3.93 3.80 2bg9A1 ALA 270 H -0.11 0.21 -0.60 -0.55 8.40 7.34 2bg9A1 ALA 270 HA -0.07 -0.04 0.59 -0.75 4.34 4.07 2bg9A1 ALA 270 HB3 -0.07 -0.03 0.17 -0.04 1.41 1.44 2bg9A1 VAL 271 H -0.17 0.74 -0.06 -0.55 8.24 8.20 2bg9A1 VAL 271 HA -0.10 -0.04 0.71 -0.75 4.13 3.93 2bg9A1 VAL 271 HB -0.03 -0.04 -0.08 -0.04 2.12 1.92 2bg9A1 VAL 271 HG13 0.03 -0.04 -0.16 -0.04 0.97 0.76 2bg9A1 VAL 271 HG23 -0.29 0.02 -0.03 -0.04 0.95 0.62 2bg9A1 PRO 272 HA -0.19 0.17 0.56 -0.51 4.44 4.47 2bg9A1 PRO 272 HB2 -0.08 -0.02 -0.03 -0.04 2.28 2.10 2bg9A1 PRO 272 HB3 -0.11 0.08 0.02 -0.04 2.02 1.97 2bg9A1 PRO 272 HG2 -0.03 -0.08 0.10 -0.04 2.03 1.97 2bg9A1 PRO 272 HG3 -0.13 0.36 -0.28 -0.04 2.03 1.94 2bg9A1 PRO 272 HD2 -0.08 0.00 0.02 -0.04 3.68 3.59 2bg9A1 PRO 272 HD3 -0.12 0.06 -0.16 -0.04 3.65 3.38 2bg9A1 LEU 273 H -0.36 0.31 0.30 -0.55 8.37 8.08 2bg9A1 LEU 273 HA -0.17 0.03 0.76 -0.75 4.35 4.21 2bg9A1 LEU 273 HB2 -0.92 0.00 -0.05 -0.04 1.64 0.64 2bg9A1 LEU 273 HB3 -1.69 0.08 -0.07 -0.04 1.64 -0.08 2bg9A1 LEU 273 HG -0.42 -0.06 -0.20 -0.04 1.64 0.91 2bg9A1 LEU 273 HD13 -0.43 0.02 -0.04 -0.04 0.93 0.43 2bg9A1 LEU 273 HD23 -0.31 0.02 0.14 -0.04 0.89 0.71 2bg9A1 ILE 274 H -0.13 0.05 0.08 -0.55 8.25 7.69 2bg9A1 ILE 274 HA -0.00 0.15 0.52 -0.75 4.18 4.09 2bg9A1 ILE 274 HB 0.13 -0.09 0.09 -0.04 1.89 1.99 2bg9A1 ILE 274 HG12 0.77 0.00 0.10 -0.04 1.49 2.32 2bg9A1 ILE 274 HG13 0.62 -0.20 0.06 -0.04 1.21 1.64 2bg9A1 ILE 274 HG23 0.13 0.02 0.21 -0.04 0.93 1.25 2bg9A1 ILE 274 HD13 0.26 0.02 0.01 -0.04 0.88 1.13 2bg9A1 GLY 275 H -0.03 0.19 0.30 -0.55 8.43 8.34 2bg9A1 GLY 275 HA2 -0.08 0.11 0.49 -0.51 4.01 4.01 2bg9A1 GLY 275 HA3 -0.04 0.08 0.40 -0.51 4.01 3.94 2bg9A1 LYS 276 H 0.06 0.12 -0.40 -0.55 8.42 7.64 2bg9A1 LYS 276 HA -0.00 0.02 0.39 -0.75 4.32 3.97 2bg9A1 LYS 276 HB2 0.14 0.05 -0.02 -0.04 1.87 1.99 2bg9A1 LYS 276 HB3 0.11 0.03 0.11 -0.04 1.79 2.00 2bg9A1 LYS 276 HG2 0.07 0.06 0.02 -0.04 1.46 1.56 2bg9A1 LYS 276 HG3 0.04 -0.00 0.02 -0.04 1.46 1.47 2bg9A1 LYS 276 HD2 0.05 -0.20 -0.01 -0.04 1.69 1.50 2bg9A1 LYS 276 HD3 0.10 0.06 -0.01 -0.04 1.68 1.78 2bg9A1 LYS 276 HE2 0.05 0.06 0.00 -0.04 2.99 3.05 2bg9A1 LYS 276 HE3 0.03 0.01 -0.00 -0.04 2.99 2.98 2bg9A1 TYR 277 H 0.04 0.65 -0.54 -0.55 8.29 7.89 2bg9A1 TYR 277 HA -1.89 0.06 0.48 -0.75 4.56 2.45 2bg9A1 TYR 277 HB2 -0.25 0.17 -0.02 -0.04 3.06 2.91 2bg9A1 TYR 277 HB3 -0.43 -0.03 -0.10 -0.04 2.98 2.37 2bg9A1 TYR 277 HD2 0.12 0.05 -0.00 -0.04 7.15 7.28 2bg9A1 TYR 277 HE2 -0.07 -0.01 0.01 -0.04 6.85 6.74 2bg9A1 MET 278 H -0.23 0.35 0.02 -0.55 8.47 8.06 2bg9A1 MET 278 HA -0.24 0.02 0.38 -0.75 4.52 3.93 2bg9A1 MET 278 HB2 -0.14 0.06 0.30 -0.04 2.15 2.33 2bg9A1 MET 278 HB3 -0.13 -0.02 0.07 -0.04 2.03 1.91 2bg9A1 MET 278 HG2 -0.12 -0.01 0.08 -0.04 2.63 2.55 2bg9A1 MET 278 HG3 -0.10 0.03 0.08 -0.04 2.56 2.52 2bg9A1 MET 278 HE3 -0.07 -0.00 -0.03 -0.04 2.10 1.96 2bg9A1 LEU 279 H -0.20 0.26 -0.25 -0.55 8.37 7.63 2bg9A1 LEU 279 HA -0.11 -0.02 0.31 -0.75 4.35 3.76 2bg9A1 LEU 279 HB2 -0.04 0.03 0.08 -0.04 1.64 1.67 2bg9A1 LEU 279 HB3 0.01 0.08 -0.10 -0.04 1.64 1.58 2bg9A1 LEU 279 HG 0.00 0.03 0.01 -0.04 1.64 1.65 2bg9A1 LEU 279 HD13 -0.03 -0.02 0.08 -0.04 0.93 0.92 2bg9A1 LEU 279 HD23 -0.02 0.00 -0.00 -0.04 0.89 0.83 2bg9A1 PHE 280 H -0.45 0.40 -0.54 -0.55 8.34 7.20 2bg9A1 PHE 280 HA -0.89 -0.00 0.33 -0.75 4.62 3.31 2bg9A1 PHE 280 HB2 -0.26 -0.08 0.12 -0.04 3.15 2.89 2bg9A1 PHE 280 HB3 -0.27 -0.03 0.05 -0.04 3.06 2.76 2bg9A1 PHE 280 HD2 -0.04 -0.10 0.04 -0.04 7.28 7.13 2bg9A1 PHE 280 HE2 -0.15 0.03 0.05 -0.04 7.38 7.26 2bg9A1 PHE 280 HZ -0.64 -0.07 -0.02 -0.04 7.32 6.55 2bg9A1 THR 281 H -0.24 0.26 -0.05 -0.55 8.28 7.70 2bg9A1 THR 281 HA -0.03 -0.04 0.33 -0.75 4.39 3.89 2bg9A1 THR 281 HB -0.01 -0.00 0.11 -0.04 4.32 4.38 2bg9A1 THR 281 HG23 -0.09 0.14 0.08 -0.04 1.22 1.30 2bg9A1 MET 282 H -0.18 0.61 -0.19 -0.55 8.47 8.17 2bg9A1 MET 282 HA -0.05 -0.02 0.26 -0.75 4.52 3.96 2bg9A1 MET 282 HB2 -0.11 -0.05 0.16 -0.04 2.15 2.11 2bg9A1 MET 282 HB3 -0.06 -0.12 0.24 -0.04 2.03 2.05 2bg9A1 MET 282 HG2 -0.04 -0.02 0.00 -0.04 2.63 2.53 2bg9A1 MET 282 HG3 -0.03 -0.01 -0.01 -0.04 2.56 2.47 2bg9A1 MET 282 HE3 -0.04 -0.00 -0.03 -0.04 2.10 1.98 2bg9A1 ILE 283 H -0.04 0.31 0.10 -0.55 8.25 8.06 2bg9A1 ILE 283 HA 0.07 -0.03 0.30 -0.75 4.18 3.76 2bg9A1 ILE 283 HB 0.26 0.07 0.06 -0.04 1.89 2.23 2bg9A1 ILE 283 HG12 0.04 -0.04 0.06 -0.04 1.49 1.51 2bg9A1 ILE 283 HG13 0.03 0.09 0.13 -0.04 1.21 1.42 2bg9A1 ILE 283 HG23 0.11 -0.02 -0.02 -0.04 0.93 0.97 2bg9A1 ILE 283 HD13 0.07 -0.00 0.01 -0.04 0.88 0.92 2bg9A1 PHE 284 H 0.16 0.53 -0.17 -0.55 8.34 8.31 2bg9A1 PHE 284 HA 0.10 -0.05 0.38 -0.75 4.62 4.30 2bg9A1 PHE 284 HB2 0.13 -0.03 0.17 -0.04 3.15 3.38 2bg9A1 PHE 284 HB3 0.15 -0.07 0.00 -0.04 3.06 3.10 2bg9A1 PHE 284 HD2 0.11 -0.14 -0.05 -0.04 7.28 7.16 2bg9A1 PHE 284 HE2 0.08 -0.02 0.01 -0.04 7.38 7.40 2bg9A1 PHE 284 HZ 0.01 0.01 0.12 -0.04 7.32 7.42 2bg9A1 VAL 285 H 0.19 0.76 0.16 -0.55 8.24 8.80 2bg9A1 VAL 285 HA 0.07 -0.04 0.43 -0.75 4.13 3.84 2bg9A1 VAL 285 HB 0.08 -0.05 0.16 -0.04 2.12 2.28 2bg9A1 VAL 285 HG13 0.01 0.17 0.03 -0.04 0.97 1.14 2bg9A1 VAL 285 HG23 -0.01 -0.03 -0.01 -0.04 0.95 0.87 2bg9A1 ILE 286 H 0.07 0.81 -0.09 -0.55 8.25 8.49 2bg9A1 ILE 286 HA 0.00 0.02 0.48 -0.75 4.18 3.92 2bg9A1 ILE 286 HB 0.03 0.03 0.03 -0.04 1.89 1.94 2bg9A1 ILE 286 HG12 -0.00 -0.07 -0.04 -0.04 1.49 1.33 2bg9A1 ILE 286 HG13 0.01 0.47 0.15 -0.04 1.21 1.80 2bg9A1 ILE 286 HG23 0.01 -0.03 0.03 -0.04 0.93 0.89 2bg9A1 ILE 286 HD13 -0.01 -0.04 -0.06 -0.04 0.88 0.73 2bg9A1 SER 287 H 0.11 0.78 -0.14 -0.55 8.46 8.67 2bg9A1 SER 287 HA 0.05 -0.06 0.58 -0.75 4.49 4.31 2bg9A1 SER 287 HB2 0.10 -0.00 0.12 -0.04 3.95 4.13 2bg9A1 SER 287 HB3 0.14 0.22 0.18 -0.04 3.93 4.44 2bg9A1 SER 288 H 0.06 0.46 -0.18 -0.55 8.46 8.26 2bg9A1 SER 288 HA 0.06 -0.02 0.38 -0.75 4.49 4.16 2bg9A1 SER 288 HB2 -0.30 -0.02 0.15 -0.04 3.95 3.74 2bg9A1 SER 288 HB3 -0.18 0.41 0.22 -0.04 3.93 4.34 2bg9A1 ILE 289 H -0.02 0.16 -0.78 -0.55 8.25 7.06 2bg9A1 ILE 289 HA -0.06 -0.01 0.47 -0.75 4.18 3.83 2bg9A1 ILE 289 HB -0.01 0.15 0.38 -0.04 1.89 2.37 2bg9A1 ILE 289 HG12 -0.04 0.18 -0.00 -0.04 1.49 1.58 2bg9A1 ILE 289 HG13 -0.03 -0.04 0.01 -0.04 1.21 1.10 2bg9A1 ILE 289 HG23 -0.02 -0.04 -0.05 -0.04 0.93 0.79 2bg9A1 ILE 289 HD13 -0.08 -0.03 -0.09 -0.04 0.88 0.65 2bg9A1 ILE 290 H 0.00 0.69 0.34 -0.55 8.25 8.73 2bg9A1 ILE 290 HA -0.01 0.02 0.34 -0.75 4.18 3.77 2bg9A1 ILE 290 HB 0.01 -0.00 -0.01 -0.04 1.89 1.85 2bg9A1 ILE 290 HG12 0.01 0.10 0.11 -0.04 1.49 1.67 2bg9A1 ILE 290 HG13 0.03 -0.06 0.12 -0.04 1.21 1.26 2bg9A1 ILE 290 HG23 0.00 -0.01 0.04 -0.04 0.93 0.92 2bg9A1 ILE 290 HD13 0.02 -0.02 -0.02 -0.04 0.88 0.82 2bg9A1 VAL 291 H 0.01 0.82 -0.09 -0.55 8.24 8.43 2bg9A1 VAL 291 HA -0.01 -0.04 0.38 -0.75 4.13 3.71 2bg9A1 VAL 291 HB 0.01 0.09 0.10 -0.04 2.12 2.29 2bg9A1 VAL 291 HG13 -0.03 -0.02 -0.09 -0.04 0.97 0.79 2bg9A1 VAL 291 HG23 0.07 -0.01 0.03 -0.04 0.95 0.99 2bg9A1 THR 292 H -0.06 0.51 -0.15 -0.55 8.28 8.03 2bg9A1 THR 292 HA -0.14 -0.03 0.40 -0.75 4.39 3.87 2bg9A1 THR 292 HB -0.11 -0.05 0.08 -0.04 4.32 4.20 2bg9A1 THR 292 HG23 -0.12 -0.01 0.12 -0.04 1.22 1.18 2bg9A1 VAL 293 H -0.07 0.42 0.02 -0.55 8.24 8.06 2bg9A1 VAL 293 HA -0.07 -0.03 0.32 -0.75 4.13 3.59 2bg9A1 VAL 293 HB -0.04 0.14 0.14 -0.04 2.12 2.32 2bg9A1 VAL 293 HG13 -0.03 0.09 -0.01 -0.04 0.97 0.99 2bg9A1 VAL 293 HG23 -0.03 -0.02 0.03 -0.04 0.95 0.89 2bg9A1 VAL 294 H -0.05 0.51 -0.36 -0.55 8.24 7.80 2bg9A1 VAL 294 HA -0.03 0.03 0.62 -0.75 4.13 3.99 2bg9A1 VAL 294 HB -0.02 0.01 0.13 -0.04 2.12 2.21 2bg9A1 VAL 294 HG13 -0.03 0.06 0.13 -0.04 0.97 1.09 2bg9A1 VAL 294 HG23 -0.01 -0.03 -0.03 -0.04 0.95 0.83 2bg9A1 VAL 295 H -0.08 1.05 0.35 -0.55 8.24 9.01 2bg9A1 VAL 295 HA -0.08 -0.07 0.45 -0.75 4.13 3.67 2bg9A1 VAL 295 HB -0.18 -0.04 0.13 -0.04 2.12 2.00 2bg9A1 VAL 295 HG13 -0.29 -0.02 -0.11 -0.04 0.97 0.51 2bg9A1 VAL 295 HG23 -0.21 0.07 0.00 -0.04 0.95 0.77 2bg9A1 ILE 296 H -0.13 1.06 0.03 -0.55 8.25 8.65 2bg9A1 ILE 296 HA -0.09 0.10 0.61 -0.75 4.18 4.04 2bg9A1 ILE 296 HB -0.47 -0.01 -0.09 -0.04 1.89 1.28 2bg9A1 ILE 296 HG12 -0.16 0.34 -0.55 -0.04 1.49 1.07 2bg9A1 ILE 296 HG13 -0.19 -0.06 -0.17 -0.04 1.21 0.75 2bg9A1 ILE 296 HG23 -0.53 -0.00 -0.01 -0.04 0.93 0.35 2bg9A1 ILE 296 HD13 -0.16 -0.09 0.07 -0.04 0.88 0.67 2bg9A1 ASN 297 H -0.10 0.50 -0.26 -0.55 8.53 8.13 2bg9A1 ASN 297 HA -0.01 -0.00 0.57 -0.75 4.76 4.56 2bg9A1 ASN 297 HB2 -0.01 -0.12 0.19 -0.04 2.88 2.90 2bg9A1 ASN 297 HB3 -0.03 0.42 0.48 -0.04 2.79 3.62 2bg9A1 ASN 297 HD21 0.01 -0.07 -0.02 -0.04 7.03 6.91 2bg9A1 ASN 297 HD22 -0.01 0.01 0.04 -0.04 7.74 7.74 2bg9A1 THR 298 H -0.03 0.94 -0.02 -0.55 8.28 8.62 2bg9A1 THR 298 HA 0.02 -0.01 0.40 -0.75 4.39 4.05 2bg9A1 THR 298 HB -0.03 0.19 0.19 -0.04 4.32 4.64 2bg9A1 THR 298 HG23 -0.02 -0.01 -0.20 -0.04 1.22 0.94 2bg9A1 HIS 299 H 0.02 0.73 0.08 -0.55 8.41 8.69 2bg9A1 HIS 299 HA -0.11 -0.08 0.40 -0.75 4.63 4.09 2bg9A1 HIS 299 HB2 -0.24 0.04 0.48 -0.04 3.26 3.51 2bg9A1 HIS 299 HB3 -0.33 0.13 0.15 -0.04 3.20 3.11 2bg9A1 HIS 299 HD2 -0.29 0.03 -0.01 -0.04 6.97 6.66 2bg9A1 HIS 299 HE1 -0.10 0.02 0.09 -0.04 7.75 7.71 2bg9A1 HIS 300 H 0.04 0.31 -0.65 -0.55 8.41 7.56 2bg9A1 HIS 300 HA 0.01 0.25 0.44 -0.75 4.63 4.57 2bg9A1 HIS 300 HB2 -0.01 0.11 0.28 -0.04 3.26 3.60 2bg9A1 HIS 300 HB3 0.00 -0.16 0.06 -0.04 3.20 3.06 2bg9A1 HIS 300 HD2 -0.12 0.03 -0.17 -0.04 6.97 6.68 2bg9A1 HIS 300 HE1 -0.08 -0.09 -0.03 -0.04 7.75 7.51 2bg9A1 ARG 301 H 0.10 0.24 0.05 -0.55 8.46 8.29 2bg9A1 ARG 301 HA 0.07 -0.07 0.22 -0.75 4.34 3.81 2bg9A1 ARG 301 HB2 0.04 -0.14 0.20 -0.04 1.90 1.95 2bg9A1 ARG 301 HB3 0.04 -0.12 0.31 -0.04 1.80 1.99 2bg9A1 ARG 301 HG2 0.06 0.41 -0.03 -0.04 1.67 2.06 2bg9A1 ARG 301 HG3 0.05 -0.09 -0.12 -0.04 1.67 1.47 2bg9A1 ARG 301 HD2 0.01 -0.09 0.05 -0.04 3.22 3.15 2bg9A1 ARG 301 HD3 0.01 -0.06 0.04 -0.04 3.22 3.16 2bg9A1 SER 302 H 0.11 0.74 0.32 -0.55 8.46 9.09 2bg9A1 SER 302 HA 0.07 0.31 1.20 -0.75 4.49 5.31 2bg9A1 SER 302 HB2 0.17 -0.13 -0.02 -0.04 3.95 3.93 2bg9A1 SER 302 HB3 0.10 -0.25 -0.16 -0.04 3.93 3.59 2bg9A1 PRO 303 HA 0.02 0.07 0.40 -0.51 4.44 4.42 2bg9A1 PRO 303 HB2 0.04 -0.11 0.14 -0.04 2.28 2.31 2bg9A1 PRO 303 HB3 0.02 0.03 0.08 -0.04 2.02 2.11 2bg9A1 PRO 303 HG2 0.05 0.06 0.11 -0.04 2.03 2.20 2bg9A1 PRO 303 HG3 0.03 0.04 0.13 -0.04 2.03 2.19 2bg9A1 PRO 303 HD2 0.07 0.10 0.26 -0.04 3.68 4.07 2bg9A1 PRO 303 HD3 0.05 0.25 0.28 -0.04 3.65 4.19 2bg9A1 SER 304 H -0.00 -0.04 0.01 -0.55 8.46 7.88 2bg9A1 SER 304 HA -0.03 0.29 1.07 -0.75 4.49 5.06 2bg9A1 SER 304 HB2 -0.05 -0.05 0.05 -0.04 3.95 3.86 2bg9A1 SER 304 HB3 -0.06 0.01 0.07 -0.04 3.93 3.92 2bg9A1 THR 305 H -0.04 -0.07 0.03 -0.55 8.28 7.65 2bg9A1 THR 305 HA -0.28 0.13 0.62 -0.75 4.39 4.11 2bg9A1 THR 305 HB -0.27 0.05 -0.04 -0.04 4.32 4.02 2bg9A1 THR 305 HG23 -1.15 -0.02 0.05 -0.04 1.22 0.06 2bg9A1 HIS 306 H 0.07 0.23 -0.12 -0.55 8.41 8.04 2bg9A1 HIS 306 HA -0.01 0.09 0.20 -0.75 4.63 4.16 2bg9A1 HIS 306 HB2 0.04 -0.11 0.12 -0.04 3.26 3.27 2bg9A1 HIS 306 HB3 -0.02 0.04 0.12 -0.04 3.20 3.30 2bg9A1 HIS 306 HD2 0.16 -0.05 -0.13 -0.04 6.97 6.90 2bg9A1 HIS 306 HE1 0.16 0.20 0.36 -0.04 7.75 8.42 2bg9A1 SER 374 HA -0.07 0.07 0.21 -0.75 4.49 3.94 2bg9A1 SER 374 HB2 -0.03 -0.14 0.19 -0.04 3.95 3.93 2bg9A1 SER 374 HB3 -0.04 0.06 0.06 -0.04 3.93 3.97 2bg9A1 ALA 375 H -0.04 0.19 0.14 -0.55 8.40 8.15 2bg9A1 ALA 375 HA -0.06 0.12 0.53 -0.75 4.34 4.18 2bg9A1 ALA 375 HB3 -0.03 0.03 0.10 -0.04 1.41 1.47 2bg9A1 ILE 376 H -0.04 0.15 -0.04 -0.55 8.25 7.78 2bg9A1 ILE 376 HA -0.02 0.09 0.47 -0.75 4.18 3.96 2bg9A1 ILE 376 HB -0.02 -0.01 0.13 -0.04 1.89 1.94 2bg9A1 ILE 376 HG12 -0.01 0.04 0.02 -0.04 1.49 1.51 2bg9A1 ILE 376 HG13 -0.01 -0.00 0.08 -0.04 1.21 1.25 2bg9A1 ILE 376 HG23 -0.02 0.01 -0.17 -0.04 0.93 0.72 2bg9A1 ILE 376 HD13 -0.01 0.00 0.02 -0.04 0.88 0.85 2bg9A1 GLU 377 H -0.08 0.19 -0.44 -0.55 8.60 7.72 2bg9A1 GLU 377 HA -0.08 0.05 0.34 -0.75 4.29 3.85 2bg9A1 GLU 377 HB2 -0.21 0.25 0.11 -0.04 2.09 2.20 2bg9A1 GLU 377 HB3 -0.46 -0.03 -0.05 -0.04 1.99 1.40 2bg9A1 GLU 377 HG2 -0.06 -0.02 0.02 -0.04 2.34 2.24 2bg9A1 GLU 377 HG3 -0.06 -0.08 0.00 -0.04 2.34 2.17 2bg9A1 GLY 378 H -0.16 0.43 -0.19 -0.55 8.43 7.97 2bg9A1 GLY 378 HA2 -0.26 0.03 0.42 -0.51 4.01 3.70 2bg9A1 GLY 378 HA3 -0.11 0.10 0.32 -0.51 4.01 3.81 2bg9A1 VAL 379 H -0.04 0.50 -0.28 -0.55 8.24 7.86 2bg9A1 VAL 379 HA 0.00 0.01 0.40 -0.75 4.13 3.79 2bg9A1 VAL 379 HB 0.00 0.37 0.22 -0.04 2.12 2.67 2bg9A1 VAL 379 HG13 0.01 -0.02 -0.13 -0.04 0.97 0.80 2bg9A1 VAL 379 HG23 -0.01 0.05 0.11 -0.04 0.95 1.05 2bg9A1 LYS 380 H 0.04 0.40 -0.31 -0.55 8.42 8.00 2bg9A1 LYS 380 HA 0.10 -0.00 0.42 -0.75 4.32 4.09 2bg9A1 LYS 380 HB2 0.35 0.23 0.14 -0.04 1.87 2.55 2bg9A1 LYS 380 HB3 0.18 -0.06 0.12 -0.04 1.79 1.98 2bg9A1 LYS 380 HG2 0.06 -0.07 0.06 -0.04 1.46 1.47 2bg9A1 LYS 380 HG3 0.03 0.37 0.27 -0.04 1.46 2.09 2bg9A1 LYS 380 HD2 0.10 -0.00 0.06 -0.04 1.69 1.80 2bg9A1 LYS 380 HD3 0.08 -0.03 0.01 -0.04 1.68 1.70 2bg9A1 LYS 380 HE2 -0.01 -0.14 -0.74 -0.04 2.99 2.06 2bg9A1 LYS 380 HE3 0.02 -0.02 -0.11 -0.04 2.99 2.84 2bg9A1 TYR 381 H 0.21 0.33 -0.36 -0.55 8.29 7.92 2bg9A1 TYR 381 HA 0.04 0.07 0.82 -0.75 4.56 4.74 2bg9A1 TYR 381 HB2 0.02 0.05 0.16 -0.04 3.06 3.25 2bg9A1 TYR 381 HB3 0.04 -0.04 0.09 -0.04 2.98 3.04 2bg9A1 TYR 381 HD2 0.02 -0.16 -0.25 -0.04 7.15 6.71 2bg9A1 TYR 381 HE2 0.01 -0.02 -0.03 -0.04 6.85 6.77 2bg9A1 ILE 382 H 0.10 0.67 0.09 -0.55 8.25 8.56 2bg9A1 ILE 382 HA -0.01 0.06 0.58 -0.75 4.18 4.06 2bg9A1 ILE 382 HB -0.02 -0.01 0.02 -0.04 1.89 1.83 2bg9A1 ILE 382 HG12 0.03 0.52 0.16 -0.04 1.49 2.15 2bg9A1 ILE 382 HG13 0.02 0.29 0.34 -0.04 1.21 1.82 2bg9A1 ILE 382 HG23 -0.05 -0.01 0.04 -0.04 0.93 0.86 2bg9A1 ILE 382 HD13 -0.01 -0.04 -0.03 -0.04 0.88 0.76 2bg9A1 ALA 383 H 0.07 0.46 -0.15 -0.55 8.40 8.24 2bg9A1 ALA 383 HA 0.03 0.08 0.50 -0.75 4.34 4.19 2bg9A1 ALA 383 HB3 0.04 0.01 0.10 -0.04 1.41 1.52 2bg9A1 GLU 384 H 0.09 0.49 -0.08 -0.55 8.60 8.55 2bg9A1 GLU 384 HA 0.01 0.02 0.52 -0.75 4.29 4.09 2bg9A1 GLU 384 HB2 0.01 0.53 0.35 -0.04 2.09 2.94 2bg9A1 GLU 384 HB3 -0.06 -0.02 0.14 -0.04 1.99 2.01 2bg9A1 GLU 384 HG2 -0.15 -0.01 0.04 -0.04 2.34 2.18 2bg9A1 GLU 384 HG3 -0.07 -0.06 0.07 -0.04 2.34 2.24 2bg9A1 HIS 385 H 0.16 0.36 -0.48 -0.55 8.41 7.89 2bg9A1 HIS 385 HA -0.01 0.00 0.48 -0.75 4.63 4.35 2bg9A1 HIS 385 HB2 0.03 0.09 0.21 -0.04 3.26 3.56 2bg9A1 HIS 385 HB3 0.03 0.08 0.18 -0.04 3.20 3.45 2bg9A1 HIS 385 HD2 0.03 -0.00 0.03 -0.04 6.97 6.98 2bg9A1 HIS 385 HE1 0.01 -0.02 -0.01 -0.04 7.75 7.69 2bg9A1 MET 386 H 0.12 0.27 -0.54 -0.55 8.47 7.77 2bg9A1 MET 386 HA 0.16 0.03 0.48 -0.75 4.52 4.43 2bg9A1 MET 386 HB2 0.04 0.21 0.16 -0.04 2.15 2.52 2bg9A1 MET 386 HB3 0.03 -0.06 0.04 -0.04 2.03 2.00 2bg9A1 MET 386 HG2 0.02 0.50 0.38 -0.04 2.63 3.49 2bg9A1 MET 386 HG3 0.00 -0.09 0.07 -0.04 2.56 2.50 2bg9A1 MET 386 HE3 -0.29 -0.06 0.07 -0.04 2.10 1.78 2bg9A1 LYS 387 H 0.04 0.35 -0.17 -0.55 8.42 8.09 2bg9A1 LYS 387 HA 0.00 0.05 0.20 -0.75 4.32 3.82 2bg9A1 LYS 387 HB2 -0.01 0.00 0.08 -0.04 1.87 1.90 2bg9A1 LYS 387 HB3 -0.00 -0.02 0.08 -0.04 1.79 1.81 2bg9A1 LYS 387 HG2 0.02 0.29 0.35 -0.04 1.46 2.08 2bg9A1 LYS 387 HG3 0.00 0.11 0.33 -0.04 1.46 1.86 2bg9A1 LYS 387 HD2 0.01 -0.02 -0.01 -0.04 1.69 1.63 2bg9A1 LYS 387 HD3 0.01 -0.07 -0.14 -0.04 1.68 1.44 2bg9A1 LYS 387 HE2 -0.01 -0.00 0.04 -0.04 2.99 2.98 2bg9A1 LYS 387 HE3 -0.01 -0.01 0.03 -0.04 2.99 2.96 2bg9A1 SER 388 H -0.00 0.38 0.39 -0.55 8.46 8.69 2bg9A1 SER 388 HA -0.04 0.07 -0.31 -0.75 4.49 3.46 2bg9A1 SER 388 HB2 -0.08 -0.05 -0.09 -0.04 3.95 3.69 2bg9A1 SER 388 HB3 -0.06 0.05 0.05 -0.04 3.93 3.93 2bg9A1 ASP 389 H -0.02 0.52 0.20 -0.55 8.40 8.55 2bg9A1 ASP 389 HA -0.05 0.10 0.72 -0.75 4.63 4.65 2bg9A1 ASP 389 HB2 -0.05 0.15 0.21 -0.04 2.71 2.97 2bg9A1 ASP 389 HB3 0.01 0.02 0.04 -0.04 2.70 2.73 2bg9A1 GLU 390 H -0.00 0.41 -0.14 -0.55 8.60 8.32 2bg9A1 GLU 390 HA -0.02 0.06 0.81 -0.75 4.29 4.38 2bg9A1 GLU 390 HB2 -0.02 -0.04 0.11 -0.04 2.09 2.10 2bg9A1 GLU 390 HB3 -0.00 0.04 0.12 -0.04 1.99 2.11 2bg9A1 GLU 390 HG2 -0.01 -0.04 -0.02 -0.04 2.34 2.24 2bg9A1 GLU 390 HG3 -0.01 0.17 -0.03 -0.04 2.34 2.43 2bg9A1 GLU 391 H -0.03 0.12 -0.38 -0.55 8.60 7.76 2bg9A1 GLU 391 HA -0.06 -0.00 0.41 -0.75 4.29 3.89 2bg9A1 GLU 391 HB2 -0.04 0.11 0.29 -0.04 2.09 2.40 2bg9A1 GLU 391 HB3 -0.05 0.53 0.35 -0.04 1.99 2.78 2bg9A1 GLU 391 HG2 -0.07 -0.04 -0.13 -0.04 2.34 2.06 2bg9A1 GLU 391 HG3 -0.05 -0.03 0.03 -0.04 2.34 2.25 2bg9A1 SER 392 H -0.05 0.52 -0.04 -0.55 8.46 8.34 2bg9A1 SER 392 HA -0.07 -0.01 0.34 -0.75 4.49 3.99 2bg9A1 SER 392 HB2 -0.03 -0.02 0.17 -0.04 3.95 4.03 2bg9A1 SER 392 HB3 -0.03 0.42 0.29 -0.04 3.93 4.57 2bg9A1 SER 393 H -0.05 0.44 -0.24 -0.55 8.46 8.07 2bg9A1 SER 393 HA -0.04 -0.03 0.31 -0.75 4.49 3.97 2bg9A1 SER 393 HB2 -0.03 -0.05 0.09 -0.04 3.95 3.91 2bg9A1 SER 393 HB3 -0.02 0.04 0.20 -0.04 3.93 4.10 2bg9A1 ASN 394 H -0.08 0.61 -0.19 -0.55 8.53 8.32 2bg9A1 ASN 394 HA -0.10 -0.04 0.33 -0.75 4.76 4.20 2bg9A1 ASN 394 HB2 -0.10 -0.07 0.06 -0.04 2.88 2.72 2bg9A1 ASN 394 HB3 -0.08 0.01 0.16 -0.04 2.79 2.84 2bg9A1 ASN 394 HD21 -0.09 -0.15 0.18 -0.04 7.03 6.93 2bg9A1 ASN 394 HD22 -0.07 -0.09 0.12 -0.04 7.74 7.66 2bg9A1 ALA 395 H -0.23 0.48 -0.10 -0.55 8.40 8.00 2bg9A1 ALA 395 HA -0.58 -0.02 0.42 -0.75 4.34 3.41 2bg9A1 ALA 395 HB3 -0.67 0.04 0.11 -0.04 1.41 0.85 2bg9A1 ALA 396 H -0.19 0.51 -0.24 -0.55 8.40 7.93 2bg9A1 ALA 396 HA 0.05 0.01 0.40 -0.75 4.34 4.05 2bg9A1 ALA 396 HB3 0.01 0.03 0.11 -0.04 1.41 1.52 2bg9A1 GLU 397 H -0.06 0.44 0.04 -0.55 8.60 8.47 2bg9A1 GLU 397 HA 0.01 -0.04 0.35 -0.75 4.29 3.86 2bg9A1 GLU 397 HB2 -0.09 0.15 0.12 -0.04 2.09 2.23 2bg9A1 GLU 397 HB3 -0.13 -0.01 -0.03 -0.04 1.99 1.78 2bg9A1 GLU 397 HG2 -0.05 -0.14 0.03 -0.04 2.34 2.14 2bg9A1 GLU 397 HG3 -0.04 0.00 0.04 -0.04 2.34 2.30 2bg9A1 GLU 398 H -0.09 0.36 -0.43 -0.55 8.60 7.90 2bg9A1 GLU 398 HA 0.43 0.05 0.62 -0.75 4.29 4.64 2bg9A1 GLU 398 HB2 -0.21 0.08 0.11 -0.04 2.09 2.02 2bg9A1 GLU 398 HB3 0.19 -0.03 0.10 -0.04 1.99 2.21 2bg9A1 GLU 398 HG2 0.08 -0.05 0.02 -0.04 2.34 2.34 2bg9A1 GLU 398 HG3 -0.09 0.43 0.14 -0.04 2.34 2.77 2bg9A1 TRP 399 H 0.13 0.51 -0.13 -0.55 7.97 7.93 2bg9A1 TRP 399 HA 0.05 -0.06 0.39 -0.75 4.62 4.24 2bg9A1 TRP 399 HB2 0.03 0.19 0.31 -0.04 3.23 3.71 2bg9A1 TRP 399 HB3 0.02 -0.12 0.15 -0.04 3.23 3.25 2bg9A1 TRP 399 HD1 0.01 -0.05 -0.04 -0.04 7.22 7.10 2bg9A1 TRP 399 HE1 0.01 -0.06 -0.03 -0.04 10.20 10.08 2bg9A1 TRP 399 HE3 0.04 0.09 -0.22 -0.04 7.59 7.45 2bg9A1 TRP 399 HZ2 0.01 -0.04 -0.01 -0.04 7.44 7.36 2bg9A1 TRP 399 HZ3 0.01 -0.03 -0.04 -0.04 7.13 7.03 2bg9A1 TRP 399 HH2 0.01 -0.03 -0.01 -0.04 7.19 7.11 2bg9A1 LYS 400 H 0.26 0.05 -1.42 -0.55 8.42 6.75 2bg9A1 LYS 400 HA 0.15 0.09 0.74 -0.75 4.32 4.54 2bg9A1 LYS 400 HB2 0.08 0.62 0.34 -0.04 1.87 2.87 2bg9A1 LYS 400 HB3 0.09 -0.22 0.05 -0.04 1.79 1.66 2bg9A1 LYS 400 HG2 0.09 0.03 0.00 -0.04 1.46 1.54 2bg9A1 LYS 400 HG3 0.10 0.24 -0.05 -0.04 1.46 1.71 2bg9A1 LYS 400 HD2 -0.01 0.04 0.13 -0.04 1.69 1.82 2bg9A1 LYS 400 HD3 0.02 -0.54 0.14 -0.04 1.68 1.26 2bg9A1 LYS 400 HE2 0.04 0.06 -0.02 -0.04 2.99 3.02 2bg9A1 LYS 400 HE3 0.03 0.03 -0.16 -0.04 2.99 2.85 2bg9A1 TYR 401 H 0.41 0.31 0.13 -0.55 8.29 8.58 2bg9A1 TYR 401 HA 0.10 0.13 0.77 -0.75 4.56 4.80 2bg9A1 TYR 401 HB2 0.14 0.08 0.05 -0.04 3.06 3.29 2bg9A1 TYR 401 HB3 0.06 -0.13 0.05 -0.04 2.98 2.92 2bg9A1 TYR 401 HD2 0.01 0.08 0.19 -0.04 7.15 7.39 2bg9A1 TYR 401 HE2 -0.03 -0.07 0.07 -0.04 6.85 6.77 2bg9A1 VAL 402 H 0.11 0.22 0.05 -0.55 8.24 8.08 2bg9A1 VAL 402 HA 0.04 0.20 0.58 -0.75 4.13 4.19 2bg9A1 VAL 402 HB -0.01 -0.29 0.04 -0.04 2.12 1.81 2bg9A1 VAL 402 HG13 0.02 -0.01 0.09 -0.04 0.97 1.03 2bg9A1 VAL 402 HG23 0.05 0.07 -0.03 -0.04 0.95 1.00 2bg9A1 ALA 403 H -0.02 0.16 0.20 -0.55 8.40 8.18 2bg9A1 ALA 403 HA -0.03 0.23 0.84 -0.75 4.34 4.62 2bg9A1 ALA 403 HB3 -0.05 0.06 0.11 -0.04 1.41 1.49 2bg9A1 MET 404 H -0.02 0.07 0.01 -0.55 8.47 7.98 2bg9A1 MET 404 HA 0.04 0.21 0.66 -0.75 4.52 4.68 2bg9A1 MET 404 HB2 0.04 0.05 0.07 -0.04 2.15 2.27 2bg9A1 MET 404 HB3 0.01 0.04 0.10 -0.04 2.03 2.14 2bg9A1 MET 404 HG2 -0.04 -0.07 0.12 -0.04 2.63 2.60 2bg9A1 MET 404 HG3 -0.09 0.01 0.02 -0.04 2.56 2.46 2bg9A1 MET 404 HE3 -0.04 0.01 0.00 -0.04 2.10 2.03 2bg9A1 VAL 405 H -0.12 0.17 -0.02 -0.55 8.24 7.72 2bg9A1 VAL 405 HA -0.59 0.21 0.94 -0.75 4.13 3.94 2bg9A1 VAL 405 HB -0.74 0.02 0.11 -0.04 2.12 1.47 2bg9A1 VAL 405 HG13 -0.25 0.02 0.01 -0.04 0.97 0.72 2bg9A1 VAL 405 HG23 -0.12 0.02 -0.14 -0.04 0.95 0.67 2bg9A1 ILE 406 H -0.04 0.17 -0.30 -0.55 8.25 7.54 2bg9A1 ILE 406 HA -0.04 0.12 0.40 -0.75 4.18 3.91 2bg9A1 ILE 406 HB -0.01 0.05 -0.00 -0.04 1.89 1.88 2bg9A1 ILE 406 HG12 -0.02 0.02 0.07 -0.04 1.49 1.52 2bg9A1 ILE 406 HG13 -0.01 0.13 -0.02 -0.04 1.21 1.26 2bg9A1 ILE 406 HG23 -0.09 0.02 -0.02 -0.04 0.93 0.80 2bg9A1 ILE 406 HD13 -0.03 -0.02 -0.11 -0.04 0.88 0.68 2bg9A1 ASP 407 H 0.05 0.10 -0.70 -0.55 8.40 7.30 2bg9A1 ASP 407 HA 0.02 0.10 0.45 -0.75 4.63 4.45 2bg9A1 ASP 407 HB2 0.14 0.26 0.08 -0.04 2.71 3.16 2bg9A1 ASP 407 HB3 0.08 -0.04 0.01 -0.04 2.70 2.71 2bg9A1 HIS 408 H 0.25 0.04 -0.23 -0.55 8.41 7.92 2bg9A1 HIS 408 HA 0.00 0.04 0.37 -0.75 4.63 4.29 2bg9A1 HIS 408 HB2 0.00 0.20 0.26 -0.04 3.26 3.68 2bg9A1 HIS 408 HB3 0.00 -0.02 0.01 -0.04 3.20 3.15 2bg9A1 HIS 408 HD2 -0.00 0.01 0.02 -0.04 6.97 6.95 2bg9A1 HIS 408 HE1 -0.01 -0.00 -0.08 -0.04 7.75 7.62 2bg9A1 ILE 409 H 0.07 0.65 -0.06 -0.55 8.25 8.36 2bg9A1 ILE 409 HA 0.07 -0.03 0.36 -0.75 4.18 3.83 2bg9A1 ILE 409 HB 0.05 0.06 -0.03 -0.04 1.89 1.93 2bg9A1 ILE 409 HG12 -0.01 -0.02 0.03 -0.04 1.49 1.45 2bg9A1 ILE 409 HG13 0.01 0.01 0.21 -0.04 1.21 1.41 2bg9A1 ILE 409 HG23 0.02 -0.01 0.04 -0.04 0.93 0.93 2bg9A1 ILE 409 HD13 -0.06 0.01 0.03 -0.04 0.88 0.82 2bg9A1 LEU 410 H 0.03 0.27 -0.69 -0.55 8.37 7.44 2bg9A1 LEU 410 HA -0.10 0.02 0.37 -0.75 4.35 3.88 2bg9A1 LEU 410 HB2 -0.11 0.23 0.18 -0.04 1.64 1.90 2bg9A1 LEU 410 HB3 -0.06 0.21 0.20 -0.04 1.64 1.95 2bg9A1 LEU 410 HG -0.54 -0.01 -0.02 -0.04 1.64 1.03 2bg9A1 LEU 410 HD13 -0.06 -0.03 -0.16 -0.04 0.93 0.64 2bg9A1 LEU 410 HD23 -1.24 0.01 -0.13 -0.04 0.89 -0.51 2bg9A1 LEU 411 H 0.02 0.56 0.03 -0.55 8.37 8.43 2bg9A1 LEU 411 HA 0.06 0.04 0.61 -0.75 4.35 4.31 2bg9A1 LEU 411 HB2 0.00 0.08 0.11 -0.04 1.64 1.79 2bg9A1 LEU 411 HB3 0.00 -0.04 0.04 -0.04 1.64 1.60 2bg9A1 LEU 411 HG 0.01 0.06 0.02 -0.04 1.64 1.69 2bg9A1 LEU 411 HD13 -0.01 -0.01 -0.01 -0.04 0.93 0.86 2bg9A1 LEU 411 HD23 0.01 -0.01 -0.04 -0.04 0.89 0.82 2bg9A1 CYS 412 H 0.05 0.94 -0.02 -0.55 8.50 8.92 2bg9A1 CYS 412 HA 0.03 -0.02 0.34 -0.75 4.58 4.18 2bg9A1 CYS 412 HB2 0.07 -0.06 0.24 -0.04 2.97 3.18 2bg9A1 CYS 412 HB3 0.05 -0.05 -0.03 -0.04 2.97 2.91 2bg9A1 VAL 413 H 0.06 0.70 -0.06 -0.55 8.24 8.38 2bg9A1 VAL 413 HA 0.06 0.06 0.65 -0.75 4.13 4.14 2bg9A1 VAL 413 HB 0.33 0.19 0.09 -0.04 2.12 2.68 2bg9A1 VAL 413 HG13 0.21 -0.03 -0.06 -0.04 0.97 1.05 2bg9A1 VAL 413 HG23 0.12 0.01 0.04 -0.04 0.95 1.08 2bg9A1 PHE 414 H -0.05 0.57 -0.11 -0.55 8.34 8.20 2bg9A1 PHE 414 HA -0.27 0.01 0.46 -0.75 4.62 4.06 2bg9A1 PHE 414 HB2 -0.24 0.55 0.38 -0.04 3.15 3.79 2bg9A1 PHE 414 HB3 -0.15 -0.05 0.02 -0.04 3.06 2.84 2bg9A1 PHE 414 HD2 -0.29 -0.02 0.06 -0.04 7.28 6.99 2bg9A1 PHE 414 HE2 -0.03 -0.00 0.02 -0.04 7.38 7.33 2bg9A1 PHE 414 HZ 0.10 -0.02 0.04 -0.04 7.32 7.40 2bg9A1 MET 415 H 0.06 0.50 -0.35 -0.55 8.47 8.13 2bg9A1 MET 415 HA 0.01 0.05 0.46 -0.75 4.52 4.28 2bg9A1 MET 415 HB2 0.02 0.39 0.14 -0.04 2.15 2.67 2bg9A1 MET 415 HB3 0.01 0.00 -0.08 -0.04 2.03 1.93 2bg9A1 MET 415 HG2 -0.00 -0.00 0.01 -0.04 2.63 2.59 2bg9A1 MET 415 HG3 -0.00 -0.05 0.03 -0.04 2.56 2.50 2bg9A1 MET 415 HE3 -0.03 -0.03 -0.11 -0.04 2.10 1.89 2bg9A1 LEU 416 H 0.04 0.13 -0.33 -0.55 8.37 7.66 2bg9A1 LEU 416 HA 0.03 0.01 0.56 -0.75 4.35 4.19 2bg9A1 LEU 416 HB2 0.04 0.16 0.27 -0.04 1.64 2.08 2bg9A1 LEU 416 HB3 0.06 0.19 0.35 -0.04 1.64 2.20 2bg9A1 LEU 416 HG 0.05 -0.08 -0.03 -0.04 1.64 1.53 2bg9A1 LEU 416 HD13 0.03 -0.00 0.06 -0.04 0.93 0.98 2bg9A1 LEU 416 HD23 0.06 0.00 -0.00 -0.04 0.89 0.91 2bg9A1 ILE 417 H 0.04 1.03 0.06 -0.55 8.25 8.83 2bg9A1 ILE 417 HA 0.04 -0.01 0.42 -0.75 4.18 3.86 2bg9A1 ILE 417 HB 0.11 0.12 0.08 -0.04 1.89 2.16 2bg9A1 ILE 417 HG12 0.11 -0.06 -0.05 -0.04 1.49 1.45 2bg9A1 ILE 417 HG13 0.02 0.48 0.01 -0.04 1.21 1.67 2bg9A1 ILE 417 HG23 0.03 -0.02 -0.01 -0.04 0.93 0.90 2bg9A1 ILE 417 HD13 -0.48 -0.02 -0.11 -0.04 0.88 0.23 2bg9A1 CYS 418 H 0.04 0.54 -0.28 -0.55 8.50 8.26 2bg9A1 CYS 418 HA -0.01 0.02 0.57 -0.75 4.58 4.40 2bg9A1 CYS 418 HB2 -0.00 0.07 0.25 -0.04 2.97 3.26 2bg9A1 CYS 418 HB3 -0.02 -0.05 0.11 -0.04 2.97 2.96 2bg9A1 ILE 419 H 0.01 0.15 -0.81 -0.55 8.25 7.05 2bg9A1 ILE 419 HA 0.00 0.06 0.56 -0.75 4.18 4.05 2bg9A1 ILE 419 HB 0.01 0.36 0.18 -0.04 1.89 2.39 2bg9A1 ILE 419 HG12 0.01 -0.01 0.02 -0.04 1.49 1.47 2bg9A1 ILE 419 HG13 0.01 -0.02 0.00 -0.04 1.21 1.16 2bg9A1 ILE 419 HG23 0.01 0.11 0.27 -0.04 0.93 1.28 2bg9A1 ILE 419 HD13 0.01 -0.03 -0.09 -0.04 0.88 0.73 2bg9A1 ILE 420 H 0.00 0.88 0.29 -0.55 8.25 8.88 2bg9A1 ILE 420 HA -0.03 -0.02 0.35 -0.75 4.18 3.73 2bg9A1 ILE 420 HB -0.01 -0.04 0.06 -0.04 1.89 1.86 2bg9A1 ILE 420 HG12 0.01 0.11 0.34 -0.04 1.49 1.91 2bg9A1 ILE 420 HG13 -0.05 0.10 0.09 -0.04 1.21 1.31 2bg9A1 ILE 420 HG23 0.03 0.07 0.10 -0.04 0.93 1.09 2bg9A1 ILE 420 HD13 0.07 -0.01 -0.03 -0.04 0.88 0.87 2bg9A1 GLY 421 H -0.04 0.52 -0.21 -0.55 8.43 8.14 2bg9A1 GLY 421 HA2 -0.19 -0.05 0.33 -0.51 4.01 3.59 2bg9A1 GLY 421 HA3 -0.08 0.22 0.36 -0.51 4.01 4.01 2bg9A1 THR 422 H -0.04 0.39 -0.41 -0.55 8.28 7.67 2bg9A1 THR 422 HA -0.03 -0.03 0.52 -0.75 4.39 4.10 2bg9A1 THR 422 HB -0.00 0.25 0.32 -0.04 4.32 4.85 2bg9A1 THR 422 HG23 0.01 -0.05 0.06 -0.04 1.22 1.20 2bg9A1 VAL 423 H -0.04 0.66 -0.47 -0.55 8.24 7.84 2bg9A1 VAL 423 HA 0.11 0.03 0.66 -0.75 4.13 4.18 2bg9A1 VAL 423 HB -0.04 0.08 0.06 -0.04 2.12 2.18 2bg9A1 VAL 423 HG13 -0.13 -0.04 -0.00 -0.04 0.97 0.76 2bg9A1 VAL 423 HG23 -0.00 0.18 -0.26 -0.04 0.95 0.82 2bg9A1 SER 424 H -0.18 0.84 0.15 -0.55 8.46 8.72 2bg9A1 SER 424 HA -0.03 0.01 0.65 -0.75 4.49 4.36 2bg9A1 SER 424 HB2 -0.54 0.12 0.15 -0.04 3.95 3.64 2bg9A1 SER 424 HB3 -1.66 -0.08 0.10 -0.04 3.93 2.24 2bg9A1 VAL 425 H -0.07 0.42 -0.22 -0.55 8.24 7.83 2bg9A1 VAL 425 HA -0.03 0.03 0.44 -0.75 4.13 3.81 2bg9A1 VAL 425 HB -0.05 0.19 0.15 -0.04 2.12 2.36 2bg9A1 VAL 425 HG13 -0.01 0.11 0.02 -0.04 0.97 1.06 2bg9A1 VAL 425 HG23 -0.03 -0.02 0.03 -0.04 0.95 0.89 2bg9A1 PHE 426 H 0.13 0.19 -0.57 -0.55 8.34 7.54 2bg9A1 PHE 426 HA -0.04 0.02 0.40 -0.75 4.62 4.26 2bg9A1 PHE 426 HB2 -0.02 0.10 0.30 -0.04 3.15 3.48 2bg9A1 PHE 426 HB3 -0.02 0.54 0.33 -0.04 3.06 3.87 2bg9A1 PHE 426 HD2 -0.01 0.08 -0.07 -0.04 7.28 7.24 2bg9A1 PHE 426 HE2 -0.00 -0.02 -0.02 -0.04 7.38 7.30 2bg9A1 PHE 426 HZ 0.00 -0.01 -0.02 -0.04 7.32 7.26 2bg9A1 ALA 427 H 0.46 0.38 0.01 -0.55 8.40 8.70 2bg9A1 ALA 427 HA 0.31 -0.04 0.32 -0.75 4.34 4.18 2bg9A1 ALA 427 HB3 0.09 0.02 0.08 -0.04 1.41 1.55 2bg9A1 GLY 428 H 0.02 0.20 -0.84 -0.55 8.43 7.26 2bg9A1 GLY 428 HA2 -0.14 -0.02 0.42 -0.51 4.01 3.76 2bg9A1 GLY 428 HA3 -0.05 0.07 0.31 -0.51 4.01 3.83 2bg9A1 ARG 429 H -0.03 1.19 0.19 -0.55 8.46 9.26 2bg9A1 ARG 429 HA -0.06 -0.04 0.39 -0.75 4.34 3.89 2bg9A1 ARG 429 HB2 -0.11 0.12 0.23 -0.04 1.90 2.11 2bg9A1 ARG 429 HB3 -0.09 -0.09 0.02 -0.04 1.80 1.59 2bg9A1 ARG 429 HG2 -0.04 0.22 0.14 -0.04 1.67 1.95 2bg9A1 ARG 429 HG3 -0.06 -0.08 -0.01 -0.04 1.67 1.49 2bg9A1 ARG 429 HD2 -0.04 -0.03 -0.00 -0.04 3.22 3.10 2bg9A1 ARG 429 HD3 -0.04 -0.04 0.01 -0.04 3.22 3.11 2bg9A1 LEU 430 H -0.12 0.96 0.03 -0.55 8.37 8.70 2bg9A1 LEU 430 HA -0.14 0.04 0.37 -0.75 4.35 3.86 2bg9A1 LEU 430 HB2 -0.31 0.07 -0.02 -0.04 1.64 1.34 2bg9A1 LEU 430 HB3 -0.01 -0.05 0.12 -0.04 1.64 1.66 2bg9A1 LEU 430 HG -0.24 0.00 -0.02 -0.04 1.64 1.34 2bg9A1 LEU 430 HD13 0.13 -0.01 -0.04 -0.04 0.93 0.98 2bg9A1 LEU 430 HD23 -0.04 -0.01 -0.16 -0.04 0.89 0.64 2bg9A1 ILE 431 H -0.00 0.51 0.03 -0.55 8.25 8.24 2bg9A1 ILE 431 HA 0.00 0.08 0.60 -0.75 4.18 4.11 2bg9A1 ILE 431 HB 0.04 0.14 0.14 -0.04 1.89 2.17 2bg9A1 ILE 431 HG12 0.06 -0.02 0.05 -0.04 1.49 1.54 2bg9A1 ILE 431 HG13 0.04 0.01 0.03 -0.04 1.21 1.26 2bg9A1 ILE 431 HG23 0.09 -0.02 0.11 -0.04 0.93 1.07 2bg9A1 ILE 431 HD13 0.05 -0.01 -0.01 -0.04 0.88 0.87 2bg9A1 GLU 432 H -0.04 0.35 -0.96 -0.55 8.60 7.40 2bg9A1 GLU 432 HA -0.17 0.00 0.79 -0.75 4.29 4.15 2bg9A1 GLU 432 HB2 -0.07 0.18 0.11 -0.04 2.09 2.27 2bg9A1 GLU 432 HB3 -0.08 0.12 0.17 -0.04 1.99 2.17 2bg9A1 GLU 432 HG2 -0.13 -0.03 0.03 -0.04 2.34 2.17 2bg9A1 GLU 432 HG3 -0.15 -0.04 0.12 -0.04 2.34 2.23 2bg9A1 LEU 433 H -0.06 0.61 -0.08 -0.55 8.37 8.29 2bg9A1 LEU 433 HA -0.07 0.05 0.54 -0.75 4.35 4.12 2bg9A1 LEU 433 HB2 -0.08 -0.05 0.12 -0.04 1.64 1.60 2bg9A1 LEU 433 HB3 -0.07 0.31 0.29 -0.04 1.64 2.13 2bg9A1 LEU 433 HG -0.04 -0.02 -0.09 -0.04 1.64 1.45 2bg9A1 LEU 433 HD13 -0.05 -0.01 0.10 -0.04 0.93 0.93 2bg9A1 LEU 433 HD23 -0.07 -0.03 0.00 -0.04 0.89 0.76 2bg9A1 SER 434 H -0.04 -0.03 -0.50 -0.55 8.46 7.35 2bg9A1 SER 434 HA -0.02 0.17 0.70 -0.75 4.49 4.59 2bg9A1 SER 434 HB2 0.00 -0.07 0.12 -0.04 3.95 3.96 2bg9A1 SER 434 HB3 0.02 0.05 -0.01 -0.04 3.93 3.95 2bg9A1 GLN 435 H -0.04 0.53 0.00 -0.55 8.47 8.41 2bg9A1 GLN 435 HA -0.01 0.12 0.43 -0.75 4.36 4.14 2bg9A1 GLN 435 HB2 -0.00 -0.02 0.14 -0.04 2.15 2.23 2bg9A1 GLN 435 HB3 -0.25 -0.09 0.22 -0.04 2.02 1.85 2bg9A1 GLN 435 HG2 -0.09 -0.04 -0.03 -0.04 2.40 2.20 2bg9A1 GLN 435 HG3 0.08 1.07 0.32 -0.04 2.39 3.81 2bg9A1 GLN 435 HE21 -0.51 0.00 0.02 -0.04 6.97 6.44 2bg9A1 GLN 435 HE22 -0.03 0.05 0.02 -0.04 7.69 7.70 2bg9A1 GLU 436 H -0.13 0.28 -0.11 -0.55 8.60 8.09 2bg9A1 GLU 436 HA -0.11 0.01 0.29 -0.75 4.29 3.73 2bg9A1 GLU 436 HB2 -0.08 0.07 0.01 -0.04 2.09 2.05 2bg9A1 GLU 436 HB3 -0.08 -0.09 0.09 -0.04 1.99 1.87 2bg9A1 GLU 436 HG2 -0.18 -0.09 0.09 -0.04 2.34 2.12 2bg9A1 GLU 436 HG3 -0.17 0.24 0.28 -0.04 2.34 2.65 2bg9A1 GLY 437 H -0.05 0.13 -1.25 -0.55 8.43 6.71 2bg9A1 GLY 437 HA2 -0.03 0.05 0.31 -0.51 4.01 3.83 2bg9A1 GLY 437 HA3 -0.03 0.04 0.05 -0.51 4.01 3.56