============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 43 rings ring int. center anis. iso. PHE 15 1.000 -59.422 62.804 -32.299 -99.200 -91.000 TYR 18 0.840 -52.995 60.555 -30.268 -99.200 -91.000 TYR 21 0.840 -50.959 59.909 -22.376 -99.200 -91.000 TYR 44 0.840 -39.714 63.020 -8.392 -99.200 -91.000 PHE 53 1.000 -24.990 73.358 -8.076 -99.200 -91.000 TYR 57 0.840 -21.146 67.608 -16.061 -99.200 -91.000 PHE 71 1.000 -40.167 58.497 -11.407 -99.200 -91.000 HIS 72 0.900 -42.172 60.061 -20.532 -99.200 -91.000 HIS 74 0.900 -45.087 57.550 -23.645 -99.200 -91.000 TYR 80 0.840 -29.459 61.557 -25.481 -99.200 -91.000 TRP 90 1.040 -29.075 75.905 -30.179 -99.200 -91.000 TRP6 90 1.020 -27.395 74.567 -29.214 -99.200 -91.000 HIS 100 0.900 -18.646 67.673 -19.047 -99.200 -91.000 TYR 116 0.840 -20.852 57.853 -28.907 -99.200 -91.000 TYR 127 0.840 -32.596 78.329 -6.403 -99.200 -91.000 PHE 139 1.000 -44.460 63.695 -5.021 -99.200 -91.000 TRP 141 1.040 -50.047 55.477 -5.881 -99.200 -91.000 TRP6 141 1.020 -48.281 54.415 -4.745 -99.200 -91.000 PHE 143 1.000 -44.287 52.963 -15.648 -99.200 -91.000 PHE 157 1.000 -36.715 79.249 -12.723 -99.200 -91.000 TYR 172 0.840 -57.230 73.173 -27.425 -99.200 -91.000 HIS 179 0.900 -41.445 86.264 -22.420 -99.200 -91.000 TYR 190 0.840 -47.176 97.076 -10.349 -99.200 -91.000 HIS 194 0.900 -49.124 97.958 -6.965 -99.200 -91.000 PHE 205 1.000 -42.679 96.976 -13.040 -99.200 -91.000 PHE 211 1.000 -37.343 85.408 -29.430 -99.200 -91.000 TYR 227 0.840 -45.861 90.183 -23.378 -99.200 -91.000 TYR 259 0.840 -36.309 80.602 -29.649 -99.200 -91.000 TYR 312 0.840 -33.346 89.565 -52.854 -99.200 -91.000 PHE 314 1.000 -32.489 92.724 -42.390 -99.200 -91.000 TYR 316 0.840 -37.353 88.689 -51.888 -99.200 -91.000 TYR 323 0.840 -42.066 83.296 -31.245 -99.200 -91.000 PHE 325 1.000 -45.322 86.906 -28.576 -99.200 -91.000 PHE 333 1.000 -56.927 68.901 -12.924 -99.200 -91.000 TYR 347 0.840 -44.330 81.728 -10.374 -99.200 -91.000 HIS 350 0.900 -47.564 75.725 -8.203 -99.200 -91.000 PHE 361 1.000 -42.854 68.214 5.769 -99.200 -91.000 HIS 371 0.900 -46.549 65.431 22.622 -99.200 -91.000 TYR 407 0.840 -43.828 58.232 36.532 -99.200 -91.000 PHE 409 1.000 -43.367 60.896 30.503 -99.200 -91.000 TYR 423 0.840 -25.012 57.848 22.735 -99.200 -91.000 TYR 458 0.840 -50.589 87.070 -1.571 -99.200 -91.000 PHE 472 1.000 -30.083 80.704 -10.151 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3k9fB1 ASN 3 HA -0.00 -0.04 0.10 -0.75 4.76 4.07 3k9fB1 ILE 4 H -0.00 0.30 0.08 -0.55 8.25 8.08 3k9fB1 ILE 4 HA -0.00 0.09 0.82 -0.75 4.18 4.33 3k9fB1 ILE 4 HB -0.00 0.04 -0.29 -0.04 1.89 1.60 3k9fB1 ILE 4 HG12 -0.00 -0.07 -0.12 -0.04 1.49 1.26 3k9fB1 ILE 4 HG13 -0.00 0.15 0.01 -0.04 1.21 1.33 3k9fB1 ILE 4 HG23 -0.00 -0.01 -0.03 -0.04 0.93 0.84 3k9fB1 ILE 4 HD13 -0.00 -0.01 0.04 -0.04 0.88 0.87 3k9fB1 GLN 5 H -0.00 0.18 0.18 -0.55 8.47 8.28 3k9fB1 GLN 5 HA 0.00 0.19 0.86 -0.75 4.36 4.65 3k9fB1 GLN 5 HB2 0.00 -0.02 -0.00 -0.04 2.15 2.09 3k9fB1 GLN 5 HB3 0.00 0.00 0.07 -0.04 2.02 2.06 3k9fB1 GLN 5 HG2 0.00 0.05 -0.05 -0.04 2.40 2.36 3k9fB1 GLN 5 HG3 -0.00 -0.05 -0.30 -0.04 2.39 1.99 3k9fB1 GLN 5 HE21 -0.00 0.00 -0.04 -0.04 6.97 6.89 3k9fB1 GLN 5 HE22 -0.00 0.02 -0.06 -0.04 7.69 7.61 3k9fB1 ASN 6 H 0.00 0.25 0.17 -0.55 8.53 8.40 3k9fB1 ASN 6 HA 0.00 0.17 0.82 -0.75 4.76 5.00 3k9fB1 ASN 6 HB2 0.00 -0.01 0.08 -0.04 2.88 2.91 3k9fB1 ASN 6 HB3 0.00 -0.02 -0.04 -0.04 2.79 2.70 3k9fB1 ASN 6 HD21 0.00 0.02 -0.12 -0.04 7.03 6.90 3k9fB1 ASN 6 HD22 0.00 -0.02 -0.12 -0.04 7.74 7.56 3k9fB1 MET 7 H 0.00 0.29 0.16 -0.55 8.47 8.37 3k9fB1 MET 7 HA 0.00 0.17 0.73 -0.75 4.52 4.67 3k9fB1 MET 7 HB2 0.01 -0.00 -0.02 -0.04 2.15 2.09 3k9fB1 MET 7 HB3 0.01 -0.03 0.08 -0.04 2.03 2.05 3k9fB1 MET 7 HG2 0.01 0.15 -0.10 -0.04 2.63 2.64 3k9fB1 MET 7 HG3 0.00 -0.05 -0.35 -0.04 2.56 2.12 3k9fB1 MET 7 HE3 0.00 0.01 -0.06 -0.04 2.10 2.01 3k9fB1 SER 8 H 0.01 0.13 0.15 -0.55 8.46 8.20 3k9fB1 SER 8 HA 0.00 0.23 0.74 -0.75 4.49 4.71 3k9fB1 SER 8 HB2 0.00 -0.06 0.15 -0.04 3.95 4.00 3k9fB1 SER 8 HB3 0.00 0.15 0.12 -0.04 3.93 4.16 3k9fB1 LEU 9 H 0.00 0.22 0.23 -0.55 8.37 8.27 3k9fB1 LEU 9 HA 0.00 0.11 0.30 -0.75 4.35 4.01 3k9fB1 LEU 9 HB2 0.00 0.08 0.15 -0.04 1.64 1.83 3k9fB1 LEU 9 HB3 -0.00 -0.02 0.17 -0.04 1.64 1.75 3k9fB1 LEU 9 HG -0.00 0.06 0.04 -0.04 1.64 1.70 3k9fB1 LEU 9 HD13 -0.01 0.01 -0.06 -0.04 0.93 0.83 3k9fB1 LEU 9 HD23 0.00 -0.01 0.06 -0.04 0.89 0.90 3k9fB1 GLU 10 H 0.00 0.02 -0.09 -0.55 8.60 7.99 3k9fB1 GLU 10 HA 0.00 0.12 0.43 -0.75 4.29 4.08 3k9fB1 ASP 11 H 0.01 0.06 -0.26 -0.55 8.40 7.66 3k9fB1 ASP 11 HA 0.02 0.12 0.66 -0.75 4.63 4.68 3k9fB1 ASP 11 HB2 0.01 0.03 0.13 -0.04 2.71 2.84 3k9fB1 ASP 11 HB3 0.02 0.06 -0.01 -0.04 2.70 2.72 3k9fB1 ILE 12 H 0.01 0.44 -0.06 -0.55 8.25 8.09 3k9fB1 ILE 12 HA 0.02 0.05 0.37 -0.75 4.18 3.87 3k9fB1 ILE 12 HB 0.01 0.02 0.15 -0.04 1.89 2.03 3k9fB1 ILE 12 HG12 0.01 0.00 -0.03 -0.04 1.49 1.44 3k9fB1 ILE 12 HG13 0.01 0.09 -0.04 -0.04 1.21 1.23 3k9fB1 ILE 12 HG23 0.01 0.01 -0.10 -0.04 0.93 0.80 3k9fB1 ILE 12 HD13 0.01 -0.02 -0.13 -0.04 0.88 0.69 3k9fB1 MET 13 H 0.02 0.58 -0.09 -0.55 8.47 8.44 3k9fB1 MET 13 HA 0.05 0.00 0.36 -0.75 4.52 4.18 3k9fB1 MET 13 HB2 0.01 0.05 0.15 -0.04 2.15 2.32 3k9fB1 MET 13 HB3 0.00 -0.02 0.02 -0.04 2.03 1.99 3k9fB1 MET 13 HG2 0.01 0.06 0.16 -0.04 2.63 2.81 3k9fB1 MET 13 HG3 -0.01 -0.05 0.01 -0.04 2.56 2.48 3k9fB1 MET 13 HE3 -0.03 0.00 0.00 -0.04 2.10 2.03 3k9fB1 GLY 14 H 0.04 0.36 -0.18 -0.55 8.43 8.10 3k9fB1 GLY 14 HA2 0.10 0.01 0.35 -0.51 4.01 3.96 3k9fB1 GLY 14 HA3 0.06 0.07 0.35 -0.51 4.01 3.97 3k9fB1 GLU 15 H 0.05 0.58 -0.05 -0.55 8.60 8.63 3k9fB1 GLU 15 HA 0.06 0.02 0.43 -0.75 4.29 4.04 3k9fB1 ARG 16 H 0.07 0.66 -0.07 -0.55 8.46 8.57 3k9fB1 ARG 16 HA 0.05 0.03 0.52 -0.75 4.34 4.18 3k9fB1 ARG 16 HB2 0.09 0.03 0.19 -0.04 1.90 2.17 3k9fB1 ARG 16 HB3 0.05 -0.06 0.01 -0.04 1.80 1.77 3k9fB1 ARG 16 HG2 0.04 0.26 0.07 -0.04 1.67 1.99 3k9fB1 ARG 16 HG3 0.02 -0.06 -0.01 -0.04 1.67 1.58 3k9fB1 ARG 16 HD2 0.02 -0.01 0.03 -0.04 3.22 3.21 3k9fB1 ARG 16 HD3 0.03 -0.03 -0.05 -0.04 3.22 3.12 3k9fB1 PHE 17 H 0.23 0.73 0.11 -0.55 8.34 8.85 3k9fB1 PHE 17 HA 0.11 -0.03 0.32 -0.75 4.62 4.27 3k9fB1 PHE 17 HB2 0.04 -0.03 0.13 -0.04 3.15 3.26 3k9fB1 PHE 17 HB3 0.05 0.11 0.09 -0.04 3.06 3.27 3k9fB1 PHE 17 HD2 0.07 0.02 -0.09 -0.04 7.28 7.24 3k9fB1 PHE 17 HE2 0.09 0.01 -0.03 -0.04 7.38 7.41 3k9fB1 PHE 17 HZ 0.07 -0.01 -0.03 -0.04 7.32 7.31 3k9fB1 GLY 18 H 0.17 0.54 -0.32 -0.55 8.43 8.27 3k9fB1 GLY 18 HA2 0.06 -0.01 0.44 -0.51 4.01 3.99 3k9fB1 GLY 18 HA3 0.08 0.10 0.31 -0.51 4.01 3.99 3k9fB1 ARG 19 H 0.05 0.50 -0.10 -0.55 8.46 8.35 3k9fB1 ARG 19 HA 0.03 0.00 0.48 -0.75 4.34 4.10 3k9fB1 ARG 19 HB2 0.04 0.18 0.30 -0.04 1.90 2.38 3k9fB1 ARG 19 HB3 0.03 -0.06 0.03 -0.04 1.80 1.76 3k9fB1 ARG 19 HG2 0.03 -0.05 0.08 -0.04 1.67 1.68 3k9fB1 ARG 19 HG3 0.03 0.11 0.14 -0.04 1.67 1.91 3k9fB1 ARG 19 HD2 0.02 -0.04 0.01 -0.04 3.22 3.17 3k9fB1 ARG 19 HD3 0.02 -0.00 0.03 -0.04 3.22 3.23 3k9fB1 TYR 20 H 0.08 0.60 -0.01 -0.55 8.29 8.41 3k9fB1 TYR 20 HA -0.05 0.00 0.38 -0.75 4.56 4.14 3k9fB1 TYR 20 HB2 -0.07 -0.00 0.08 -0.04 3.06 3.02 3k9fB1 TYR 20 HB3 -0.27 0.09 0.09 -0.04 2.98 2.86 3k9fB1 TYR 20 HD2 -0.11 0.01 -0.02 -0.04 7.15 6.98 3k9fB1 TYR 20 HE2 0.02 0.01 -0.03 -0.04 6.85 6.81 3k9fB1 SER 21 H -0.25 0.58 -0.23 -0.55 8.46 8.01 3k9fB1 SER 21 HA -0.37 -0.03 0.35 -0.75 4.49 3.69 3k9fB1 SER 21 HB2 -0.13 -0.02 0.04 -0.04 3.95 3.79 3k9fB1 SER 21 HB3 -0.71 -0.02 0.11 -0.04 3.93 3.26 3k9fB1 LYS 22 H -0.06 0.57 -0.05 -0.55 8.42 8.32 3k9fB1 LYS 22 HA -0.02 0.03 0.39 -0.75 4.32 3.96 3k9fB1 LYS 22 HB2 0.01 0.13 0.21 -0.04 1.87 2.17 3k9fB1 LYS 22 HB3 0.04 0.06 0.20 -0.04 1.79 2.04 3k9fB1 LYS 22 HG2 0.02 -0.04 -0.06 -0.04 1.46 1.34 3k9fB1 LYS 22 HG3 0.01 -0.00 0.08 -0.04 1.46 1.51 3k9fB1 LYS 22 HD2 0.03 0.00 0.01 -0.04 1.69 1.69 3k9fB1 LYS 22 HD3 0.04 -0.01 -0.00 -0.04 1.68 1.67 3k9fB1 LYS 22 HE2 0.01 0.02 0.00 -0.04 2.99 2.98 3k9fB1 LYS 22 HE3 0.01 -0.01 0.01 -0.04 2.99 2.95 3k9fB1 TYR 23 H 0.08 0.50 -0.16 -0.55 8.29 8.16 3k9fB1 TYR 23 HA -0.04 0.00 0.43 -0.75 4.56 4.21 3k9fB1 TYR 23 HB2 -0.02 0.09 0.12 -0.04 3.06 3.21 3k9fB1 TYR 23 HB3 -0.09 0.07 0.10 -0.04 2.98 3.03 3k9fB1 TYR 23 HD2 -0.01 0.00 -0.13 -0.04 7.15 6.97 3k9fB1 TYR 23 HE2 0.05 -0.00 -0.05 -0.04 6.85 6.80 3k9fB1 ILE 24 H -0.15 0.60 -0.08 -0.55 8.25 8.06 3k9fB1 ILE 24 HA -0.12 -0.03 0.42 -0.75 4.18 3.70 3k9fB1 ILE 24 HB -0.38 0.21 0.24 -0.04 1.89 1.92 3k9fB1 ILE 24 HG12 -1.33 0.02 0.02 -0.04 1.49 0.16 3k9fB1 ILE 24 HG13 -0.29 -0.01 0.03 -0.04 1.21 0.89 3k9fB1 ILE 24 HG23 -0.12 0.01 -0.20 -0.04 0.93 0.58 3k9fB1 ILE 24 HD13 -0.13 -0.03 0.01 -0.04 0.88 0.69 3k9fB1 ILE 25 H -0.10 0.48 -0.32 -0.55 8.25 7.76 3k9fB1 ILE 25 HA -0.07 -0.02 0.59 -0.75 4.18 3.92 3k9fB1 ILE 25 HB -0.06 0.13 0.21 -0.04 1.89 2.14 3k9fB1 ILE 25 HG12 0.03 -0.08 0.05 -0.04 1.49 1.45 3k9fB1 ILE 25 HG13 -0.01 -0.15 0.08 -0.04 1.21 1.08 3k9fB1 ILE 25 HG23 -0.13 -0.00 -0.14 -0.04 0.93 0.62 3k9fB1 ILE 25 HD13 0.11 0.07 0.02 -0.04 0.88 1.03 3k9fB1 GLN 26 H -0.10 0.61 0.13 -0.55 8.47 8.57 3k9fB1 GLN 26 HA -0.09 0.12 0.65 -0.75 4.36 4.29 3k9fB1 GLN 26 HB2 -0.09 -0.03 0.18 -0.04 2.15 2.16 3k9fB1 GLN 26 HB3 -0.04 -0.05 -0.02 -0.04 2.02 1.86 3k9fB1 GLN 26 HG2 -0.01 0.13 0.04 -0.04 2.40 2.51 3k9fB1 GLN 26 HG3 -0.03 0.05 0.15 -0.04 2.39 2.51 3k9fB1 GLN 26 HE21 0.06 -0.14 0.04 -0.04 6.97 6.89 3k9fB1 GLN 26 HE22 0.10 0.81 0.23 -0.04 7.69 8.78 3k9fB1 ASP 27 H -0.29 0.39 0.14 -0.55 8.40 8.10 3k9fB1 ASP 27 HA -0.20 0.18 0.84 -0.75 4.63 4.69 3k9fB1 ASP 27 HB2 -1.05 0.01 0.14 -0.04 2.71 1.78 3k9fB1 ASP 27 HB3 -0.75 -0.05 0.15 -0.04 2.70 2.01 3k9fB1 ARG 28 H -0.18 0.12 -0.28 -0.55 8.46 7.56 3k9fB1 ARG 28 HA -0.09 0.12 0.48 -0.75 4.34 4.09 3k9fB1 ARG 28 HB2 -0.08 -0.00 -0.10 -0.04 1.90 1.68 3k9fB1 ARG 28 HB3 -0.07 0.04 0.19 -0.04 1.80 1.92 3k9fB1 ARG 28 HG2 -0.04 -0.05 -0.04 -0.04 1.67 1.51 3k9fB1 ARG 28 HG3 -0.05 0.00 0.03 -0.04 1.67 1.61 3k9fB1 ARG 28 HD2 -0.02 0.06 -0.01 -0.04 3.22 3.21 3k9fB1 ARG 28 HD3 -0.00 -0.05 -0.03 -0.04 3.22 3.09 3k9fB1 ALA 29 H -0.08 0.64 0.21 -0.55 8.40 8.62 3k9fB1 ALA 29 HA -0.03 0.05 0.32 -0.75 4.34 3.93 3k9fB1 ALA 29 HB3 -0.03 -0.04 -0.07 -0.04 1.41 1.24 3k9fB1 LEU 30 H -0.07 0.18 -0.16 -0.55 8.37 7.76 3k9fB1 LEU 30 HA -0.04 0.22 0.96 -0.75 4.35 4.73 3k9fB1 LEU 30 HB2 -0.09 0.29 -0.00 -0.04 1.64 1.80 3k9fB1 LEU 30 HB3 -0.07 0.04 -0.19 -0.04 1.64 1.38 3k9fB1 LEU 30 HG -0.04 -0.15 -0.33 -0.04 1.64 1.08 3k9fB1 LEU 30 HD13 -0.10 0.00 -0.17 -0.04 0.93 0.62 3k9fB1 LEU 30 HD23 -0.01 0.02 -0.35 -0.04 0.89 0.51 3k9fB1 PRO 31 HA -0.07 0.13 -0.06 -0.51 4.44 3.93 3k9fB1 PRO 31 HB2 -0.06 0.02 -0.33 -0.04 2.28 1.87 3k9fB1 PRO 31 HB3 -0.05 0.12 -0.28 -0.04 2.02 1.77 3k9fB1 PRO 31 HG2 -0.03 0.11 -0.01 -0.04 2.03 2.06 3k9fB1 PRO 31 HG3 -0.03 0.02 -0.05 -0.04 2.03 1.93 3k9fB1 PRO 31 HD2 -0.05 0.09 0.08 -0.04 3.68 3.75 3k9fB1 PRO 31 HD3 -0.03 0.15 0.22 -0.04 3.65 3.94 3k9fB1 ASP 32 H -0.10 0.50 0.17 -0.55 8.40 8.41 3k9fB1 ASP 32 HA -0.13 0.17 0.76 -0.75 4.63 4.68 3k9fB1 ASP 32 HB2 -0.13 0.21 0.21 -0.04 2.71 2.96 3k9fB1 ASP 32 HB3 -0.15 -0.22 0.18 -0.04 2.70 2.47 3k9fB1 ILE 33 H -0.13 0.51 0.23 -0.55 8.25 8.31 3k9fB1 ILE 33 HA -0.09 0.11 0.24 -0.75 4.18 3.69 3k9fB1 ILE 33 HB -0.09 0.01 -0.14 -0.04 1.89 1.63 3k9fB1 ILE 33 HG12 -0.05 0.05 -0.06 -0.04 1.49 1.38 3k9fB1 ILE 33 HG13 -0.06 0.01 -0.06 -0.04 1.21 1.06 3k9fB1 ILE 33 HG23 -0.11 0.01 -0.12 -0.04 0.93 0.67 3k9fB1 ILE 33 HD13 -0.05 -0.01 -0.22 -0.04 0.88 0.56 3k9fB1 ARG 34 H -0.18 -0.01 -0.27 -0.55 8.46 7.45 3k9fB1 ARG 34 HA -0.08 0.19 0.53 -0.75 4.34 4.23 3k9fB1 ARG 34 HB2 -0.46 -0.09 0.11 -0.04 1.90 1.41 3k9fB1 ARG 34 HB3 -0.86 0.14 0.01 -0.04 1.80 1.05 3k9fB1 ARG 34 HG2 -0.19 0.15 -0.07 -0.04 1.67 1.52 3k9fB1 ARG 34 HG3 -0.20 -0.14 -0.02 -0.04 1.67 1.27 3k9fB1 ARG 34 HD2 -0.38 0.08 0.02 -0.04 3.22 2.89 3k9fB1 ARG 34 HD3 -0.15 -0.02 0.02 -0.04 3.22 3.03 3k9fB1 ASP 35 H -0.20 0.02 0.00 -0.55 8.40 7.67 3k9fB1 ASP 35 HA -0.13 0.27 0.83 -0.75 4.63 4.84 3k9fB1 ASP 35 HB2 -0.13 -0.01 0.15 -0.04 2.71 2.67 3k9fB1 ASP 35 HB3 -0.14 0.25 0.05 -0.04 2.70 2.83 3k9fB1 GLY 36 H -0.13 0.23 -0.33 -0.55 8.43 7.65 3k9fB1 GLY 36 HA2 -0.10 0.18 0.16 -0.51 4.01 3.75 3k9fB1 GLY 36 HA3 -0.11 -0.02 0.02 -0.51 4.01 3.39 3k9fB1 LEU 37 H -0.11 -0.05 -0.28 -0.55 8.37 7.38 3k9fB1 LEU 37 HA -0.08 0.27 0.87 -0.75 4.35 4.66 3k9fB1 LEU 37 HB2 -0.10 -0.08 -0.09 -0.04 1.64 1.33 3k9fB1 LEU 37 HB3 -0.08 0.01 -0.10 -0.04 1.64 1.43 3k9fB1 LEU 37 HG -0.11 0.29 -0.24 -0.04 1.64 1.54 3k9fB1 LEU 37 HD13 -0.09 -0.04 -0.11 -0.04 0.93 0.65 3k9fB1 LEU 37 HD23 -0.07 0.02 -0.13 -0.04 0.89 0.67 3k9fB1 LYS 38 H -0.06 0.16 0.12 -0.55 8.42 8.07 3k9fB1 LYS 38 HA -0.07 0.34 0.64 -0.75 4.32 4.48 3k9fB1 LYS 38 HB2 -0.05 -0.20 0.03 -0.04 1.87 1.60 3k9fB1 LYS 38 HB3 -0.05 0.21 -0.05 -0.04 1.79 1.86 3k9fB1 LYS 38 HG2 -0.05 0.10 -0.49 -0.04 1.46 0.98 3k9fB1 LYS 38 HG3 -0.05 -0.05 -0.17 -0.04 1.46 1.15 3k9fB1 LYS 38 HD2 -0.03 -0.08 -0.01 -0.04 1.69 1.53 3k9fB1 LYS 38 HD3 -0.03 0.03 -0.02 -0.04 1.68 1.61 3k9fB1 LYS 38 HE2 -0.02 0.27 -0.12 -0.04 2.99 3.07 3k9fB1 LYS 38 HE3 -0.02 -0.06 -0.09 -0.04 2.99 2.79 3k9fB1 PRO 39 HA -0.06 0.07 0.24 -0.51 4.44 4.18 3k9fB1 PRO 39 HB2 0.04 0.03 -0.00 -0.04 2.28 2.31 3k9fB1 PRO 39 HB3 0.01 0.05 0.06 -0.04 2.02 2.10 3k9fB1 PRO 39 HG2 -0.10 -0.00 -0.20 -0.04 2.03 1.69 3k9fB1 PRO 39 HG3 -0.08 0.12 0.10 -0.04 2.03 2.13 3k9fB1 PRO 39 HD2 -0.06 0.22 -0.05 -0.04 3.68 3.75 3k9fB1 PRO 39 HD3 -0.08 0.32 0.12 -0.04 3.65 3.98 3k9fB1 VAL 40 H -0.05 0.21 -0.26 -0.55 8.24 7.59 3k9fB1 VAL 40 HA -0.44 0.08 0.39 -0.75 4.13 3.41 3k9fB1 VAL 40 HB -0.11 0.02 -0.08 -0.04 2.12 1.91 3k9fB1 VAL 40 HG13 -0.39 -0.00 -0.10 -0.04 0.97 0.44 3k9fB1 VAL 40 HG23 -0.00 0.03 -0.02 -0.04 0.95 0.91 3k9fB1 GLN 41 H -0.08 0.22 -0.17 -0.55 8.47 7.90 3k9fB1 GLN 41 HA -0.07 0.03 0.39 -0.75 4.36 3.96 3k9fB1 GLN 41 HB2 -0.07 0.12 0.16 -0.04 2.15 2.32 3k9fB1 GLN 41 HB3 -0.06 0.01 0.00 -0.04 2.02 1.93 3k9fB1 GLN 41 HG2 -0.06 0.04 0.02 -0.04 2.40 2.37 3k9fB1 GLN 41 HG3 -0.06 -0.09 0.04 -0.04 2.39 2.24 3k9fB1 GLN 41 HE21 -0.04 0.10 0.04 -0.04 6.97 7.03 3k9fB1 GLN 41 HE22 -0.04 -0.00 0.02 -0.04 7.69 7.62 3k9fB1 ARG 42 H -0.08 0.46 -0.31 -0.55 8.46 7.98 3k9fB1 ARG 42 HA -0.07 -0.00 0.19 -0.75 4.34 3.70 3k9fB1 ARG 42 HB2 -0.10 -0.03 -0.16 -0.04 1.90 1.57 3k9fB1 ARG 42 HB3 -0.10 0.14 -0.07 -0.04 1.80 1.73 3k9fB1 ARG 42 HG2 -0.16 0.02 -0.26 -0.04 1.67 1.22 3k9fB1 ARG 42 HG3 -0.11 -0.09 -0.13 -0.04 1.67 1.29 3k9fB1 ARG 42 HD2 -0.16 0.14 -0.27 -0.04 3.22 2.90 3k9fB1 ARG 42 HD3 -0.21 -0.03 -0.56 -0.04 3.22 2.38 3k9fB1 ARG 43 H -0.08 0.53 -0.27 -0.55 8.46 8.09 3k9fB1 ARG 43 HA -0.11 0.05 0.48 -0.75 4.34 4.00 3k9fB1 ARG 43 HB2 -0.06 0.10 0.15 -0.04 1.90 2.05 3k9fB1 ARG 43 HB3 0.07 -0.08 -0.06 -0.04 1.80 1.68 3k9fB1 ARG 43 HG2 0.03 -0.05 -0.02 -0.04 1.67 1.59 3k9fB1 ARG 43 HG3 -0.03 0.03 -0.02 -0.04 1.67 1.60 3k9fB1 ARG 43 HD2 0.20 0.01 -0.15 -0.04 3.22 3.24 3k9fB1 ARG 43 HD3 0.40 -0.09 -0.31 -0.04 3.22 3.17 3k9fB1 ILE 44 H -0.06 0.64 -0.14 -0.55 8.25 8.15 3k9fB1 ILE 44 HA 0.01 -0.03 0.43 -0.75 4.18 3.83 3k9fB1 ILE 44 HB -0.04 0.17 0.18 -0.04 1.89 2.17 3k9fB1 ILE 44 HG12 0.00 -0.08 -0.02 -0.04 1.49 1.35 3k9fB1 ILE 44 HG13 -0.05 0.02 0.05 -0.04 1.21 1.19 3k9fB1 ILE 44 HG23 -0.01 -0.02 -0.20 -0.04 0.93 0.66 3k9fB1 ILE 44 HD13 -0.05 -0.02 -0.19 -0.04 0.88 0.58 3k9fB1 LEU 45 H -0.03 0.66 -0.09 -0.55 8.37 8.35 3k9fB1 LEU 45 HA -0.02 -0.02 0.32 -0.75 4.35 3.88 3k9fB1 LEU 45 HB2 -0.02 0.09 0.09 -0.04 1.64 1.76 3k9fB1 LEU 45 HB3 -0.01 -0.05 -0.05 -0.04 1.64 1.49 3k9fB1 LEU 45 HG -0.04 0.20 0.01 -0.04 1.64 1.77 3k9fB1 LEU 45 HD13 -0.03 -0.01 -0.03 -0.04 0.93 0.82 3k9fB1 LEU 45 HD23 -0.02 -0.04 -0.04 -0.04 0.89 0.75 3k9fB1 TYR 46 H 0.02 0.72 -0.10 -0.55 8.29 8.39 3k9fB1 TYR 46 HA -0.10 -0.02 0.28 -0.75 4.56 3.96 3k9fB1 TYR 46 HB2 -0.21 0.04 0.10 -0.04 3.06 2.95 3k9fB1 TYR 46 HB3 -0.35 0.05 0.13 -0.04 2.98 2.77 3k9fB1 TYR 46 HD2 -0.56 -0.01 -0.05 -0.04 7.15 6.49 3k9fB1 TYR 46 HE2 0.09 0.02 0.00 -0.04 6.85 6.92 3k9fB1 SER 47 H -0.08 0.66 -0.26 -0.55 8.46 8.23 3k9fB1 SER 47 HA -0.14 0.02 0.46 -0.75 4.49 4.08 3k9fB1 SER 47 HB2 0.06 0.10 0.11 -0.04 3.95 4.19 3k9fB1 SER 47 HB3 0.05 0.05 0.13 -0.04 3.93 4.12 3k9fB1 MET 48 H -0.04 0.68 0.00 -0.55 8.47 8.56 3k9fB1 MET 48 HA -0.01 -0.00 0.33 -0.75 4.52 4.08 3k9fB1 MET 48 HB2 -0.02 0.07 0.08 -0.04 2.15 2.23 3k9fB1 MET 48 HB3 -0.01 0.03 0.01 -0.04 2.03 2.01 3k9fB1 MET 48 HG2 0.02 -0.07 -0.00 -0.04 2.63 2.54 3k9fB1 MET 48 HG3 0.02 0.12 0.06 -0.04 2.56 2.71 3k9fB1 MET 48 HE3 0.01 0.02 -0.20 -0.04 2.10 1.89 3k9fB1 ASN 49 H -0.10 0.58 -0.31 -0.55 8.53 8.15 3k9fB1 ASN 49 HA -0.05 -0.06 0.33 -0.75 4.76 4.22 3k9fB1 ASN 49 HB2 -0.06 0.05 0.03 -0.04 2.88 2.86 3k9fB1 ASN 49 HB3 -0.16 0.13 0.05 -0.04 2.79 2.77 3k9fB1 ASN 49 HD21 -0.03 -0.06 -0.07 -0.04 7.03 6.82 3k9fB1 ASN 49 HD22 -0.09 0.07 -0.14 -0.04 7.74 7.54 3k9fB1 LYS 50 H -0.29 0.53 -0.10 -0.55 8.42 8.00 3k9fB1 LYS 50 HA -0.15 -0.01 0.52 -0.75 4.32 3.92 3k9fB1 LYS 50 HB2 -0.60 0.10 0.19 -0.04 1.87 1.52 3k9fB1 LYS 50 HB3 -0.18 0.08 0.16 -0.04 1.79 1.81 3k9fB1 LYS 50 HG2 -0.03 -0.04 -0.06 -0.04 1.46 1.28 3k9fB1 LYS 50 HG3 -0.08 -0.04 0.05 -0.04 1.46 1.36 3k9fB1 LYS 50 HD2 0.19 0.01 -0.00 -0.04 1.69 1.84 3k9fB1 LYS 50 HD3 0.11 0.03 -0.01 -0.04 1.68 1.77 3k9fB1 LYS 50 HE2 0.05 -0.01 -0.08 -0.04 2.99 2.91 3k9fB1 LYS 50 HE3 0.10 -0.03 -0.02 -0.04 2.99 3.00 3k9fB1 ASP 51 H -0.07 0.53 -0.32 -0.55 8.40 8.00 3k9fB1 ASP 51 HA -0.01 0.06 0.48 -0.75 4.63 4.41 3k9fB1 ASP 51 HB2 -0.00 0.09 0.11 -0.04 2.71 2.87 3k9fB1 ASP 51 HB3 0.01 -0.07 0.15 -0.04 2.70 2.74 3k9fB1 SER 52 H -0.04 0.40 -0.82 -0.55 8.46 7.45 3k9fB1 SER 52 HA -0.03 0.04 0.22 -0.75 4.49 3.97 3k9fB1 SER 52 HB2 -0.02 0.06 0.05 -0.04 3.95 4.00 3k9fB1 SER 52 HB3 -0.03 -0.10 0.23 -0.04 3.93 3.99 3k9fB1 ASN 53 H -0.03 0.67 -0.29 -0.55 8.53 8.33 3k9fB1 ASN 53 HA -0.04 0.18 0.72 -0.75 4.76 4.87 3k9fB1 ASN 53 HB2 -0.01 0.05 0.03 -0.04 2.88 2.90 3k9fB1 ASN 53 HB3 -0.01 -0.03 0.18 -0.04 2.79 2.88 3k9fB1 ASN 53 HD21 0.03 0.02 0.01 -0.04 7.03 7.05 3k9fB1 ASN 53 HD22 0.02 -0.04 0.00 -0.04 7.74 7.68 3k9fB1 THR 54 H -0.04 0.27 -0.45 -0.55 8.28 7.50 3k9fB1 THR 54 HA 0.02 0.10 0.59 -0.75 4.39 4.34 3k9fB1 THR 54 HB 0.11 -0.14 0.06 -0.04 4.32 4.32 3k9fB1 THR 54 HG23 0.01 0.02 -0.11 -0.04 1.22 1.10 3k9fB1 PHE 55 H 0.33 0.10 0.01 -0.55 8.34 8.23 3k9fB1 PHE 55 HA -0.15 0.21 0.27 -0.75 4.62 4.19 3k9fB1 PHE 55 HB2 -0.04 -0.04 0.04 -0.04 3.15 3.07 3k9fB1 PHE 55 HB3 -0.02 -0.00 -0.29 -0.04 3.06 2.70 3k9fB1 PHE 55 HD2 0.01 -0.01 -0.07 -0.04 7.28 7.16 3k9fB1 PHE 55 HE2 0.03 0.02 -0.05 -0.04 7.38 7.33 3k9fB1 PHE 55 HZ 0.03 0.02 -0.04 -0.04 7.32 7.29 3k9fB1 ASP 56 H -0.61 -0.00 -0.31 -0.55 8.40 6.93 3k9fB1 ASP 56 HA -0.70 0.15 0.52 -0.75 4.63 3.85 3k9fB1 ASP 56 HB2 -0.44 0.02 0.12 -0.04 2.71 2.36 3k9fB1 ASP 56 HB3 -1.47 -0.03 0.01 -0.04 2.70 1.17 3k9fB1 LYS 57 H -0.23 0.36 -0.44 -0.55 8.42 7.55 3k9fB1 LYS 57 HA -0.11 0.14 0.77 -0.75 4.32 4.37 3k9fB1 LYS 57 HB2 -0.09 0.14 0.03 -0.04 1.87 1.91 3k9fB1 LYS 57 HB3 -0.06 -0.09 0.17 -0.04 1.79 1.76 3k9fB1 LYS 57 HG2 -0.11 0.10 -0.22 -0.04 1.46 1.20 3k9fB1 LYS 57 HG3 -0.13 -0.21 -0.36 -0.04 1.46 0.72 3k9fB1 LYS 57 HD2 -0.05 0.22 0.06 -0.04 1.69 1.87 3k9fB1 LYS 57 HD3 -0.05 -0.01 0.04 -0.04 1.68 1.62 3k9fB1 LYS 57 HE2 -0.06 -0.01 -0.04 -0.04 2.99 2.84 3k9fB1 LYS 57 HE3 -0.06 -0.07 -0.05 -0.04 2.99 2.77 3k9fB1 SER 58 H -0.03 0.07 0.11 -0.55 8.46 8.06 3k9fB1 SER 58 HA 0.05 0.01 0.24 -0.75 4.49 4.04 3k9fB1 SER 58 HB2 0.04 -0.04 0.09 -0.04 3.95 3.99 3k9fB1 SER 58 HB3 0.02 -0.02 0.13 -0.04 3.93 4.02 3k9fB1 TYR 59 H 0.39 0.01 0.11 -0.55 8.29 8.24 3k9fB1 TYR 59 HA -0.02 0.24 0.40 -0.75 4.56 4.42 3k9fB1 TYR 59 HB2 0.02 -0.07 0.00 -0.04 3.06 2.97 3k9fB1 TYR 59 HB3 0.00 -0.10 -0.18 -0.04 2.98 2.67 3k9fB1 TYR 59 HD2 -0.09 -0.05 -0.19 -0.04 7.15 6.78 3k9fB1 TYR 59 HE2 -0.18 -0.02 -0.27 -0.04 6.85 6.34 3k9fB1 ARG 60 H 0.09 0.77 0.39 -0.55 8.46 9.17 3k9fB1 ARG 60 HA 0.09 0.15 0.96 -0.75 4.34 4.79 3k9fB1 ARG 60 HB2 0.04 0.10 0.11 -0.04 1.90 2.11 3k9fB1 ARG 60 HB3 0.05 -0.06 -0.03 -0.04 1.80 1.71 3k9fB1 ARG 60 HG2 0.04 -0.09 0.06 -0.04 1.67 1.63 3k9fB1 ARG 60 HG3 0.05 0.16 -0.04 -0.04 1.67 1.79 3k9fB1 ARG 60 HD2 0.01 -0.03 -0.03 -0.04 3.22 3.13 3k9fB1 ARG 60 HD3 0.01 0.11 -0.06 -0.04 3.22 3.25 3k9fB1 LYS 61 H 0.07 0.18 0.13 -0.55 8.42 8.24 3k9fB1 LYS 61 HA 0.08 0.24 0.58 -0.75 4.32 4.47 3k9fB1 LYS 61 HB2 0.04 0.09 0.16 -0.04 1.87 2.12 3k9fB1 LYS 61 HB3 0.04 -0.05 0.19 -0.04 1.79 1.92 3k9fB1 LYS 61 HG2 0.01 -0.03 0.00 -0.04 1.46 1.40 3k9fB1 LYS 61 HG3 0.02 -0.19 -0.17 -0.04 1.46 1.08 3k9fB1 LYS 61 HD2 0.02 0.02 0.01 -0.04 1.69 1.71 3k9fB1 LYS 61 HD3 -0.01 -0.01 -0.01 -0.04 1.68 1.60 3k9fB1 LYS 61 HE2 -0.00 0.02 0.03 -0.04 2.99 3.00 3k9fB1 LYS 61 HE3 0.05 0.32 0.08 -0.04 2.99 3.40 3k9fB1 SER 62 H 0.10 0.53 0.19 -0.55 8.46 8.74 3k9fB1 SER 62 HA 0.12 0.06 0.35 -0.75 4.49 4.27 3k9fB1 SER 62 HB2 0.10 0.19 0.16 -0.04 3.95 4.36 3k9fB1 SER 62 HB3 0.24 -0.08 -0.01 -0.04 3.93 4.04 3k9fB1 ALA 63 H -0.00 0.34 -0.22 -0.55 8.40 7.98 3k9fB1 ALA 63 HA -0.02 -0.05 0.35 -0.75 4.34 3.87 3k9fB1 ALA 63 HB3 -0.04 0.01 -0.08 -0.04 1.41 1.26 3k9fB1 LYS 64 H 0.03 0.40 -0.21 -0.55 8.42 8.09 3k9fB1 LYS 64 HA 0.03 0.04 0.54 -0.75 4.32 4.17 3k9fB1 LYS 64 HB2 0.03 -0.04 0.09 -0.04 1.87 1.90 3k9fB1 LYS 64 HB3 0.04 0.16 0.09 -0.04 1.79 2.04 3k9fB1 LYS 64 HG2 0.04 0.03 -0.34 -0.04 1.46 1.15 3k9fB1 LYS 64 HG3 0.03 -0.03 -0.01 -0.04 1.46 1.41 3k9fB1 LYS 64 HD2 0.03 -0.04 0.00 -0.04 1.69 1.64 3k9fB1 LYS 64 HD3 0.03 0.03 -0.04 -0.04 1.68 1.66 3k9fB1 LYS 64 HE2 0.02 0.06 -0.04 -0.04 2.99 2.99 3k9fB1 LYS 64 HE3 0.02 -0.03 -0.03 -0.04 2.99 2.91 3k9fB1 SER 65 H 0.06 0.34 -0.13 -0.55 8.46 8.19 3k9fB1 SER 65 HA 0.06 0.08 0.41 -0.75 4.49 4.29 3k9fB1 SER 65 HB2 0.09 0.11 0.11 -0.04 3.95 4.21 3k9fB1 SER 65 HB3 0.07 -0.03 -0.06 -0.04 3.93 3.88 3k9fB1 VAL 66 H 0.08 0.48 -0.23 -0.55 8.24 8.02 3k9fB1 VAL 66 HA 0.11 0.06 0.39 -0.75 4.13 3.94 3k9fB1 VAL 66 HB 0.06 0.03 0.12 -0.04 2.12 2.29 3k9fB1 VAL 66 HG13 0.10 -0.02 -0.11 -0.04 0.97 0.91 3k9fB1 VAL 66 HG23 0.19 0.02 -0.07 -0.04 0.95 1.04 3k9fB1 GLY 67 H 0.06 0.65 0.03 -0.55 8.43 8.62 3k9fB1 GLY 67 HA2 0.06 -0.04 0.40 -0.51 4.01 3.93 3k9fB1 GLY 67 HA3 0.05 0.09 0.32 -0.51 4.01 3.95 3k9fB1 ASN 68 H 0.08 0.39 -0.61 -0.55 8.53 7.84 3k9fB1 ASN 68 HA 0.07 0.04 0.47 -0.75 4.76 4.59 3k9fB1 ASN 68 HB2 0.08 0.11 0.13 -0.04 2.88 3.17 3k9fB1 ASN 68 HB3 0.10 -0.03 -0.05 -0.04 2.79 2.78 3k9fB1 ASN 68 HD21 0.04 -0.08 -0.06 -0.04 7.03 6.89 3k9fB1 ASN 68 HD22 0.05 -0.00 -0.15 -0.04 7.74 7.59 3k9fB1 ILE 69 H 0.14 0.58 0.01 -0.55 8.25 8.43 3k9fB1 ILE 69 HA 0.35 0.03 0.45 -0.75 4.18 4.25 3k9fB1 ILE 69 HB 0.15 0.07 0.21 -0.04 1.89 2.27 3k9fB1 ILE 69 HG12 0.14 0.03 -0.02 -0.04 1.49 1.60 3k9fB1 ILE 69 HG13 0.13 0.15 0.12 -0.04 1.21 1.57 3k9fB1 ILE 69 HG23 0.17 -0.02 -0.17 -0.04 0.93 0.87 3k9fB1 ILE 69 HD13 0.07 -0.03 -0.05 -0.04 0.88 0.83 3k9fB1 MET 70 H 0.16 0.62 -0.18 -0.55 8.47 8.52 3k9fB1 MET 70 HA 0.22 0.21 0.52 -0.75 4.52 4.72 3k9fB1 MET 70 HB2 0.14 -0.09 0.05 -0.04 2.15 2.21 3k9fB1 MET 70 HB3 0.10 0.05 0.10 -0.04 2.03 2.24 3k9fB1 MET 70 HG2 0.06 -0.01 -0.18 -0.04 2.63 2.45 3k9fB1 MET 70 HG3 0.07 0.17 0.08 -0.04 2.56 2.84 3k9fB1 MET 70 HE3 0.09 -0.01 -0.07 -0.04 2.10 2.06 3k9fB1 GLY 71 H 0.12 0.44 -0.17 -0.55 8.43 8.27 3k9fB1 GLY 71 HA2 0.15 0.05 0.47 -0.51 4.01 4.17 3k9fB1 GLY 71 HA3 0.08 0.02 0.29 -0.51 4.01 3.89 3k9fB1 ASN 72 H 0.06 0.36 -0.18 -0.55 8.53 8.22 3k9fB1 ASN 72 HA -0.30 0.13 0.92 -0.75 4.76 4.76 3k9fB1 ASN 72 HB2 -0.39 0.11 0.04 -0.04 2.88 2.60 3k9fB1 ASN 72 HB3 -1.11 -0.06 -0.07 -0.04 2.79 1.52 3k9fB1 ASN 72 HD21 -0.01 -0.06 -0.04 -0.04 7.03 6.88 3k9fB1 ASN 72 HD22 0.02 0.03 -0.04 -0.04 7.74 7.72 3k9fB1 PHE 73 H 0.24 0.46 0.07 -0.55 8.34 8.56 3k9fB1 PHE 73 HA 0.12 0.14 1.10 -0.75 4.62 5.23 3k9fB1 PHE 73 HB2 0.19 0.05 0.12 -0.04 3.15 3.47 3k9fB1 PHE 73 HB3 0.17 -0.03 0.01 -0.04 3.06 3.18 3k9fB1 PHE 73 HD2 0.10 -0.01 -0.04 -0.04 7.28 7.29 3k9fB1 PHE 73 HE2 0.12 0.03 -0.17 -0.04 7.38 7.32 3k9fB1 PHE 73 HZ 0.27 0.02 -0.07 -0.04 7.32 7.49 3k9fB1 HIS 74 H 0.46 0.50 0.23 -0.55 8.41 9.06 3k9fB1 HIS 74 HA 0.31 0.24 0.81 -0.75 4.63 5.23 3k9fB1 HIS 74 HB2 0.24 -0.00 -0.09 -0.04 3.26 3.37 3k9fB1 HIS 74 HB3 0.20 -0.05 0.02 -0.04 3.20 3.34 3k9fB1 HIS 74 HD2 0.18 -0.06 -0.15 -0.04 6.97 6.89 3k9fB1 HIS 74 HE1 0.04 0.05 -0.09 -0.04 7.75 7.71 3k9fB1 PRO 75 HA -0.38 0.19 0.23 -0.51 4.44 3.97 3k9fB1 PRO 75 HB2 -0.58 -0.02 0.18 -0.04 2.28 1.82 3k9fB1 PRO 75 HB3 -0.79 0.02 0.07 -0.04 2.02 1.28 3k9fB1 PRO 75 HG2 -0.20 0.02 0.04 -0.04 2.03 1.85 3k9fB1 PRO 75 HG3 -0.09 0.04 0.06 -0.04 2.03 2.00 3k9fB1 PRO 75 HD2 -0.16 0.06 0.02 -0.04 3.68 3.56 3k9fB1 PRO 75 HD3 0.13 0.29 0.33 -0.04 3.65 4.35 3k9fB1 HIS 76 H -0.04 0.27 -0.54 -0.55 8.41 7.56 3k9fB1 HIS 76 HA -0.06 0.21 0.89 -0.75 4.63 4.92 3k9fB1 HIS 76 HB2 0.00 0.00 -0.04 -0.04 3.26 3.18 3k9fB1 HIS 76 HB3 0.01 -0.15 0.14 -0.04 3.20 3.17 3k9fB1 HIS 76 HD2 -1.01 -0.03 -0.19 -0.04 6.97 5.70 3k9fB1 HIS 76 HE1 -0.00 -0.00 -0.06 -0.04 7.75 7.64 3k9fB1 GLY 77 H 0.17 0.10 0.13 -0.55 8.43 8.28 3k9fB1 GLY 77 HA2 0.07 0.14 0.34 -0.51 4.01 4.05 3k9fB1 GLY 77 HA3 0.09 -0.01 0.36 -0.51 4.01 3.94 3k9fB1 ASP 78 H 0.07 0.21 0.18 -0.55 8.40 8.31 3k9fB1 ASP 78 HA 0.12 0.14 0.40 -0.75 4.63 4.54 3k9fB1 ASP 78 HB2 0.05 -0.02 0.01 -0.04 2.71 2.72 3k9fB1 ASP 78 HB3 0.06 0.11 0.10 -0.04 2.70 2.93 3k9fB1 SER 79 H 0.09 0.09 -0.19 -0.55 8.46 7.90 3k9fB1 SER 79 HA 0.15 0.06 0.38 -0.75 4.49 4.32 3k9fB1 SER 79 HB2 0.10 0.08 0.01 -0.04 3.95 4.10 3k9fB1 SER 79 HB3 0.08 0.01 0.08 -0.04 3.93 4.05 3k9fB1 SER 80 H 0.11 0.11 -0.26 -0.55 8.46 7.88 3k9fB1 SER 80 HA 0.08 0.07 0.38 -0.75 4.49 4.27 3k9fB1 SER 80 HB2 0.17 0.11 0.06 -0.04 3.95 4.24 3k9fB1 SER 80 HB3 0.10 0.06 -0.01 -0.04 3.93 4.04 3k9fB1 ILE 81 H 0.15 0.41 -0.15 -0.55 8.25 8.11 3k9fB1 ILE 81 HA 0.03 0.05 0.35 -0.75 4.18 3.85 3k9fB1 ILE 81 HB 0.15 0.04 0.12 -0.04 1.89 2.16 3k9fB1 ILE 81 HG12 0.16 -0.01 -0.06 -0.04 1.49 1.53 3k9fB1 ILE 81 HG13 0.25 0.06 -0.06 -0.04 1.21 1.42 3k9fB1 ILE 81 HG23 0.09 0.00 -0.14 -0.04 0.93 0.84 3k9fB1 ILE 81 HD13 0.22 0.01 -0.11 -0.04 0.88 0.96 3k9fB1 TYR 82 H 0.22 0.66 -0.10 -0.55 8.29 8.52 3k9fB1 TYR 82 HA 0.04 0.02 0.31 -0.75 4.56 4.18 3k9fB1 TYR 82 HB2 0.05 -0.02 0.07 -0.04 3.06 3.12 3k9fB1 TYR 82 HB3 0.05 0.05 0.09 -0.04 2.98 3.13 3k9fB1 TYR 82 HD2 0.05 0.03 -0.08 -0.04 7.15 7.11 3k9fB1 TYR 82 HE2 0.07 0.09 -0.12 -0.04 6.85 6.85 3k9fB1 ASP 83 H 0.10 0.67 -0.11 -0.55 8.40 8.51 3k9fB1 ASP 83 HA -0.14 0.02 0.47 -0.75 4.63 4.22 3k9fB1 ASP 83 HB2 0.03 0.08 0.14 -0.04 2.71 2.93 3k9fB1 ASP 83 HB3 0.00 -0.01 0.02 -0.04 2.70 2.67 3k9fB1 ALA 84 H -0.01 0.54 -0.18 -0.55 8.40 8.20 3k9fB1 ALA 84 HA -0.05 0.03 0.40 -0.75 4.34 3.96 3k9fB1 ALA 84 HB3 -0.04 0.02 0.05 -0.04 1.41 1.41 3k9fB1 MET 85 H -0.07 0.46 -0.27 -0.55 8.47 8.05 3k9fB1 MET 85 HA -0.06 0.01 0.44 -0.75 4.52 4.16 3k9fB1 MET 85 HB2 0.00 0.07 0.05 -0.04 2.15 2.23 3k9fB1 MET 85 HB3 -0.14 0.09 0.13 -0.04 2.03 2.06 3k9fB1 MET 85 HG2 -0.01 -0.01 -0.23 -0.04 2.63 2.34 3k9fB1 MET 85 HG3 -0.00 -0.01 -0.07 -0.04 2.56 2.44 3k9fB1 VAL 86 H -0.34 0.68 -0.02 -0.55 8.24 8.01 3k9fB1 VAL 86 HA -0.18 -0.02 0.33 -0.75 4.13 3.51 3k9fB1 VAL 86 HB -0.25 0.13 0.18 -0.04 2.12 2.14 3k9fB1 VAL 86 HG13 -0.07 -0.02 -0.17 -0.04 0.97 0.67 3k9fB1 VAL 86 HG23 -0.68 0.01 -0.01 -0.04 0.95 0.24 3k9fB1 ARG 87 H -0.13 0.49 -0.35 -0.55 8.46 7.92 3k9fB1 ARG 87 HA -0.18 -0.01 0.29 -0.75 4.34 3.68 3k9fB1 ARG 87 HB2 -0.09 0.04 0.10 -0.04 1.90 1.90 3k9fB1 ARG 87 HB3 -0.09 0.10 0.11 -0.04 1.80 1.88 3k9fB1 ARG 87 HG2 -0.12 -0.01 -0.09 -0.04 1.67 1.41 3k9fB1 ARG 87 HG3 -0.13 -0.06 0.04 -0.04 1.67 1.48 3k9fB1 ARG 87 HD2 -0.04 -0.03 -0.00 -0.04 3.22 3.10 3k9fB1 ARG 87 HD3 -0.05 0.02 -0.01 -0.04 3.22 3.14 3k9fB1 MET 88 H -0.10 0.45 -0.15 -0.55 8.47 8.12 3k9fB1 MET 88 HA -0.09 0.05 0.49 -0.75 4.52 4.21 3k9fB1 MET 88 HB2 -0.06 0.17 0.09 -0.04 2.15 2.31 3k9fB1 MET 88 HB3 -0.05 -0.20 0.10 -0.04 2.03 1.84 3k9fB1 MET 88 HG2 -0.05 -0.01 0.06 -0.04 2.63 2.58 3k9fB1 MET 88 HG3 -0.06 0.17 0.10 -0.04 2.56 2.72 3k9fB1 MET 88 HE3 -0.05 0.01 -0.15 -0.04 2.10 1.87 3k9fB1 SER 89 H -0.12 0.48 -0.68 -0.55 8.46 7.59 3k9fB1 SER 89 HA -0.06 0.25 1.05 -0.75 4.49 4.97 3k9fB1 SER 89 HB2 0.00 -0.18 0.18 -0.04 3.95 3.91 3k9fB1 SER 89 HB3 -0.04 -0.04 -0.04 -0.04 3.93 3.77 3k9fB1 GLN 90 H -0.27 0.49 -0.15 -0.55 8.47 7.99 3k9fB1 GLN 90 HA -0.56 0.15 1.03 -0.75 4.36 4.22 3k9fB1 GLN 90 HB2 -0.74 0.16 0.26 -0.04 2.15 1.79 3k9fB1 GLN 90 HB3 -2.33 -0.22 0.10 -0.04 2.02 -0.47 3k9fB1 GLN 90 HG2 -0.94 -0.02 -0.02 -0.04 2.40 1.38 3k9fB1 GLN 90 HG3 -0.37 0.14 -0.18 -0.04 2.39 1.94 3k9fB1 GLN 90 HE21 0.08 -0.09 -0.08 -0.04 6.97 6.84 3k9fB1 GLN 90 HE22 0.14 0.48 0.03 -0.04 7.69 8.30 3k9fB1 ASN 91 H -0.09 0.23 0.14 -0.55 8.53 8.26 3k9fB1 ASN 91 HA -0.03 0.23 0.54 -0.75 4.76 4.74 3k9fB1 ASN 91 HB2 0.11 0.09 0.08 -0.04 2.88 3.12 3k9fB1 ASN 91 HB3 0.07 0.01 0.15 -0.04 2.79 2.97 3k9fB1 ASN 91 HD21 0.25 -0.07 0.01 -0.04 7.03 7.18 3k9fB1 ASN 91 HD22 0.15 0.06 0.02 -0.04 7.74 7.93 3k9fB1 TRP 92 H 0.05 -0.03 -0.34 -0.55 7.97 7.10 3k9fB1 TRP 92 HA 0.08 0.22 0.73 -0.75 4.62 4.90 3k9fB1 TRP 92 HB2 0.04 -0.00 0.02 -0.04 3.23 3.25 3k9fB1 TRP 92 HB3 0.03 -0.03 -0.00 -0.04 3.23 3.18 3k9fB1 TRP 92 HD1 -0.03 0.01 -0.20 -0.04 7.22 6.96 3k9fB1 TRP 92 HE1 -0.02 0.06 -0.14 -0.04 10.20 10.06 3k9fB1 TRP 92 HE3 0.03 -0.00 -0.02 -0.04 7.59 7.55 3k9fB1 TRP 92 HZ2 -0.00 0.04 -0.13 -0.04 7.44 7.30 3k9fB1 TRP 92 HZ3 0.02 0.05 0.01 -0.04 7.13 7.16 3k9fB1 TRP 92 HH2 0.01 0.23 -0.38 -0.04 7.19 7.01 3k9fB1 LYS 93 H -0.62 0.21 -0.14 -0.55 8.42 7.31 3k9fB1 LYS 93 HA 0.08 0.11 0.96 -0.75 4.32 4.72 3k9fB1 LYS 93 HB2 -0.36 0.11 0.15 -0.04 1.87 1.72 3k9fB1 LYS 93 HB3 -0.12 0.02 0.01 -0.04 1.79 1.66 3k9fB1 LYS 93 HG2 -0.16 -0.01 -0.07 -0.04 1.46 1.18 3k9fB1 LYS 93 HG3 -0.85 -0.11 -0.05 -0.04 1.46 0.40 3k9fB1 LYS 93 HD2 -0.20 0.01 0.01 -0.04 1.69 1.46 3k9fB1 LYS 93 HD3 -0.11 0.04 0.00 -0.04 1.68 1.57 3k9fB1 LYS 93 HE2 0.19 -0.06 -0.06 -0.04 2.99 3.02 3k9fB1 LYS 93 HE3 0.03 -0.00 -0.03 -0.04 2.99 2.95 3k9fB1 ASN 94 H -0.15 0.49 0.15 -0.55 8.53 8.47 3k9fB1 ASN 94 HA 0.02 0.31 1.05 -0.75 4.76 5.39 3k9fB1 ASN 94 HB2 -0.07 -0.06 -0.12 -0.04 2.88 2.58 3k9fB1 ASN 94 HB3 -0.03 -0.03 -0.20 -0.04 2.79 2.49 3k9fB1 ASN 94 HD21 -0.09 -0.04 -0.18 -0.04 7.03 6.68 3k9fB1 ASN 94 HD22 -0.14 0.04 0.04 -0.04 7.74 7.64 3k9fB1 ARG 95 H -0.01 0.24 0.11 -0.55 8.46 8.25 3k9fB1 ARG 95 HA 0.00 0.10 0.46 -0.75 4.34 4.15 3k9fB1 ARG 95 HB2 -0.06 0.08 0.05 -0.04 1.90 1.93 3k9fB1 ARG 95 HB3 -0.04 0.13 0.11 -0.04 1.80 1.95 3k9fB1 ARG 95 HG2 -0.04 -0.07 -0.21 -0.04 1.67 1.31 3k9fB1 ARG 95 HG3 -0.03 -0.02 -0.26 -0.04 1.67 1.31 3k9fB1 ARG 95 HD2 -0.06 0.18 -0.29 -0.04 3.22 3.01 3k9fB1 ARG 95 HD3 -0.04 -0.23 -0.01 -0.04 3.22 2.90 3k9fB1 GLU 96 H -0.03 0.10 -0.17 -0.55 8.60 7.95 3k9fB1 GLU 96 HA -0.05 0.17 0.74 -0.75 4.29 4.39 3k9fB1 GLU 96 HB2 -0.10 -0.06 0.01 -0.04 2.09 1.89 3k9fB1 GLU 96 HB3 -0.16 -0.01 -0.00 -0.04 1.99 1.77 3k9fB1 GLU 96 HG2 -0.19 -0.04 0.04 -0.04 2.34 2.11 3k9fB1 GLU 96 HG3 -0.08 0.19 0.18 -0.04 2.34 2.58 3k9fB1 ILE 97 H -0.04 0.15 -0.06 -0.55 8.25 7.75 3k9fB1 ILE 97 HA -0.06 0.11 0.29 -0.75 4.18 3.78 3k9fB1 ILE 97 HB -0.03 0.01 0.05 -0.04 1.89 1.88 3k9fB1 ILE 97 HG12 -0.07 0.31 0.07 -0.04 1.49 1.75 3k9fB1 ILE 97 HG13 -0.09 -0.05 -0.51 -0.04 1.21 0.52 3k9fB1 ILE 97 HG23 -0.01 -0.03 -0.15 -0.04 0.93 0.70 3k9fB1 ILE 97 HD13 -0.02 0.16 -0.14 -0.04 0.88 0.84 3k9fB1 LEU 98 H -0.04 0.60 0.39 -0.55 8.37 8.77 3k9fB1 LEU 98 HA -0.03 0.08 1.02 -0.75 4.35 4.67 3k9fB1 LEU 98 HB2 -0.03 0.05 0.13 -0.04 1.64 1.75 3k9fB1 LEU 98 HB3 -0.01 -0.10 0.15 -0.04 1.64 1.64 3k9fB1 LEU 98 HG -0.00 0.20 -0.08 -0.04 1.64 1.72 3k9fB1 LEU 98 HD13 -0.02 -0.00 0.00 -0.04 0.93 0.87 3k9fB1 LEU 98 HD23 0.06 -0.02 -0.05 -0.04 0.89 0.84 3k9fB1 VAL 99 H -0.03 0.46 0.16 -0.55 8.24 8.27 3k9fB1 VAL 99 HA -0.01 0.17 0.93 -0.75 4.13 4.47 3k9fB1 VAL 99 HB -0.03 -0.00 -0.23 -0.04 2.12 1.81 3k9fB1 VAL 99 HG13 0.01 -0.01 -0.34 -0.04 0.97 0.59 3k9fB1 VAL 99 HG23 -0.01 -0.01 -0.20 -0.04 0.95 0.69 3k9fB1 GLU 100 H 0.00 0.63 0.13 -0.55 8.60 8.81 3k9fB1 GLU 100 HA 0.07 0.20 1.10 -0.75 4.29 4.90 3k9fB1 GLU 100 HB2 0.18 0.02 -0.05 -0.04 2.09 2.20 3k9fB1 GLU 100 HB3 0.09 0.01 0.06 -0.04 1.99 2.11 3k9fB1 GLU 100 HG2 0.01 -0.13 -0.24 -0.04 2.34 1.94 3k9fB1 GLU 100 HG3 -0.08 0.10 -0.18 -0.04 2.34 2.14 3k9fB1 MET 101 H 0.13 0.24 0.22 -0.55 8.47 8.50 3k9fB1 MET 101 HA 0.21 0.28 1.14 -0.75 4.52 5.39 3k9fB1 MET 101 HB2 0.08 -0.00 -0.16 -0.04 2.15 2.03 3k9fB1 MET 101 HB3 0.10 0.03 0.02 -0.04 2.03 2.13 3k9fB1 MET 101 HG2 0.14 -0.04 -0.26 -0.04 2.63 2.44 3k9fB1 MET 101 HG3 0.17 0.20 0.09 -0.04 2.56 2.97 3k9fB1 MET 101 HE3 0.03 0.02 -0.22 -0.04 2.10 1.88 3k9fB1 HIS 102 H 0.19 0.65 0.34 -0.55 8.41 9.05 3k9fB1 HIS 102 HA -0.06 0.14 0.94 -0.75 4.63 4.90 3k9fB1 HIS 102 HB2 -0.23 0.01 0.07 -0.04 3.26 3.07 3k9fB1 HIS 102 HB3 -0.14 -0.01 0.00 -0.04 3.20 3.02 3k9fB1 HIS 102 HD2 -0.15 0.13 0.04 -0.04 6.97 6.95 3k9fB1 HIS 102 HE1 -0.30 -0.00 -0.03 -0.04 7.75 7.37 3k9fB1 GLY 103 H 0.05 0.24 0.16 -0.55 8.43 8.33 3k9fB1 GLY 103 HA2 0.02 0.02 0.28 -0.51 4.01 3.82 3k9fB1 GLY 103 HA3 0.08 0.18 0.77 -0.51 4.01 4.54 3k9fB1 ASN 104 H 0.02 0.13 0.11 -0.55 8.53 8.25 3k9fB1 ASN 104 HA 0.05 0.13 0.69 -0.75 4.76 4.87 3k9fB1 ASN 104 HB2 -0.01 0.04 0.13 -0.04 2.88 2.99 3k9fB1 ASN 104 HB3 -0.02 -0.05 0.24 -0.04 2.79 2.92 3k9fB1 ASN 104 HD21 0.00 0.12 -0.08 -0.04 7.03 7.03 3k9fB1 ASN 104 HD22 -0.03 -0.03 -0.00 -0.04 7.74 7.64 3k9fB1 ASN 105 H 0.12 0.28 0.16 -0.55 8.53 8.54 3k9fB1 ASN 105 HA 0.11 0.14 0.92 -0.75 4.76 5.17 3k9fB1 ASN 105 HB2 0.05 0.03 0.11 -0.04 2.88 3.02 3k9fB1 ASN 105 HB3 0.10 -0.02 -0.18 -0.04 2.79 2.65 3k9fB1 ASN 105 HD21 0.09 0.05 0.10 -0.04 7.03 7.22 3k9fB1 ASN 105 HD22 0.02 0.00 0.01 -0.04 7.74 7.74 3k9fB1 GLY 106 H 0.11 0.02 -0.29 -0.55 8.43 7.73 3k9fB1 GLY 106 HA2 0.11 0.20 0.07 -0.51 4.01 3.88 3k9fB1 GLY 106 HA3 0.28 0.17 0.55 -0.51 4.01 4.50 3k9fB1 SER 107 H 0.07 0.39 0.18 -0.55 8.46 8.55 3k9fB1 SER 107 HA -0.96 0.18 0.41 -0.75 4.49 3.36 3k9fB1 SER 107 HB2 -0.34 0.01 0.15 -0.04 3.95 3.72 3k9fB1 SER 107 HB3 -0.15 0.18 -0.32 -0.04 3.93 3.60 3k9fB1 MET 108 H -0.86 0.22 0.13 -0.55 8.47 7.41 3k9fB1 MET 108 HA -0.66 0.22 0.57 -0.75 4.52 3.90 3k9fB1 MET 108 HB2 -0.36 -0.02 0.09 -0.04 2.15 1.83 3k9fB1 MET 108 HB3 -0.27 0.02 0.10 -0.04 2.03 1.83 3k9fB1 MET 108 HG2 -0.98 0.06 0.02 -0.04 2.63 1.69 3k9fB1 MET 108 HG3 -0.75 -0.02 0.06 -0.04 2.56 1.82 3k9fB1 MET 108 HE3 -0.07 -0.00 0.03 -0.04 2.10 2.01 3k9fB1 ASP 109 H -0.24 0.13 -0.18 -0.55 8.40 7.56 3k9fB1 ASP 109 HA -0.10 -0.23 0.43 -0.75 4.63 3.98 3k9fB1 GLY 110 H -0.12 0.21 -1.12 -0.55 8.43 6.85 3k9fB1 GLY 110 HA2 0.03 0.14 0.21 -0.51 4.01 3.88 3k9fB1 GLY 110 HA3 -0.00 0.03 0.21 -0.51 4.01 3.73 3k9fB1 ASP 111 H -0.03 -0.13 -0.40 -0.55 8.40 7.29 3k9fB1 ASP 111 HA 0.01 0.16 0.42 -0.75 4.63 4.47 3k9fB1 ASP 111 HB2 0.00 0.10 -0.12 -0.04 2.71 2.65 3k9fB1 ASP 111 HB3 -0.01 0.03 -0.01 -0.04 2.70 2.67 3k9fB1 PRO 112 HA 0.06 0.13 0.42 -0.51 4.44 4.54 3k9fB1 PRO 112 HB2 0.04 0.00 0.00 -0.04 2.28 2.28 3k9fB1 PRO 112 HB3 0.05 0.03 0.07 -0.04 2.02 2.13 3k9fB1 PRO 112 HG2 0.02 0.00 0.07 -0.04 2.03 2.08 3k9fB1 PRO 112 HG3 0.03 0.07 0.08 -0.04 2.03 2.16 3k9fB1 PRO 112 HD2 0.01 0.05 0.15 -0.04 3.68 3.84 3k9fB1 PRO 112 HD3 0.01 0.15 0.21 -0.04 3.65 3.98 3k9fB1 PRO 113 HA 0.09 -0.15 0.37 -0.51 4.44 4.24 3k9fB1 PRO 113 HB2 0.13 0.03 -0.12 -0.04 2.28 2.29 3k9fB1 PRO 113 HB3 0.09 0.01 -0.02 -0.04 2.02 2.06 3k9fB1 PRO 113 HG2 0.05 0.03 -0.04 -0.04 2.03 2.03 3k9fB1 PRO 113 HG3 0.10 0.09 -0.20 -0.04 2.03 1.97 3k9fB1 PRO 113 HD2 0.08 0.05 0.14 -0.04 3.68 3.91 3k9fB1 PRO 113 HD3 0.08 0.26 0.18 -0.04 3.65 4.13 3k9fB1 ALA 114 H 0.09 0.54 0.23 -0.55 8.40 8.71 3k9fB1 ALA 114 HA 0.03 0.02 0.58 -0.75 4.34 4.22 3k9fB1 ALA 114 HB3 -0.02 -0.01 0.15 -0.04 1.41 1.49 3k9fB1 ALA 115 H 0.21 0.09 0.15 -0.55 8.40 8.31 3k9fB1 ALA 115 HA 0.07 0.11 0.42 -0.75 4.34 4.18 3k9fB1 ALA 115 HB3 0.13 0.01 0.10 -0.04 1.41 1.62 3k9fB1 MET 116 H -0.56 0.17 0.13 -0.55 8.47 7.66 3k9fB1 MET 116 HA -0.42 0.12 0.30 -0.75 4.52 3.77 3k9fB1 MET 116 HB2 -0.31 -0.06 -0.05 -0.04 2.15 1.70 3k9fB1 MET 116 HB3 -1.36 0.08 0.07 -0.04 2.03 0.77 3k9fB1 MET 116 HG2 -0.29 -0.04 0.06 -0.04 2.63 2.31 3k9fB1 MET 116 HG3 -0.18 0.03 -0.13 -0.04 2.56 2.24 3k9fB1 MET 116 HE3 -0.04 0.01 -0.02 -0.04 2.10 2.01 3k9fB1 ARG 117 H -0.14 0.03 -0.58 -0.55 8.46 7.22 3k9fB1 ARG 117 HA -0.12 0.08 0.43 -0.75 4.34 3.97 3k9fB1 ARG 117 HB2 -0.20 0.05 0.12 -0.04 1.90 1.83 3k9fB1 ARG 117 HB3 -0.17 -0.07 0.04 -0.04 1.80 1.56 3k9fB1 ARG 117 HG2 -0.56 -0.04 -0.16 -0.04 1.67 0.87 3k9fB1 ARG 117 HG3 -0.79 0.06 -0.16 -0.04 1.67 0.74 3k9fB1 ARG 117 HD2 -0.20 0.02 -0.00 -0.04 3.22 3.00 3k9fB1 ARG 117 HD3 -0.15 -0.05 -0.02 -0.04 3.22 2.96 3k9fB1 TYR 118 H 0.09 0.26 -0.40 -0.55 8.29 7.69 3k9fB1 TYR 118 HA 0.02 0.18 0.93 -0.75 4.56 4.94 3k9fB1 TYR 118 HB2 0.04 0.09 0.02 -0.04 3.06 3.17 3k9fB1 TYR 118 HB3 0.03 -0.04 0.00 -0.04 2.98 2.93 3k9fB1 TYR 118 HD2 0.01 0.03 0.01 -0.04 7.15 7.16 3k9fB1 TYR 118 HE2 0.01 -0.02 0.00 -0.04 6.85 6.80 3k9fB1 THR 119 H 0.17 0.02 0.02 -0.55 8.28 7.95 3k9fB1 THR 119 HA 0.16 0.28 0.53 -0.75 4.39 4.60 3k9fB1 THR 119 HB 0.20 0.04 0.08 -0.04 4.32 4.60 3k9fB1 THR 119 HG23 0.22 -0.01 -0.11 -0.04 1.22 1.28 3k9fB1 GLU 120 H 0.17 0.45 0.39 -0.55 8.60 9.06 3k9fB1 GLU 120 HA 0.14 0.06 0.65 -0.75 4.29 4.39 3k9fB1 GLU 120 HB2 0.15 -0.04 -0.00 -0.04 2.09 2.15 3k9fB1 GLU 120 HB3 0.20 -0.02 -0.25 -0.04 1.99 1.88 3k9fB1 GLU 120 HG2 0.10 0.07 -0.26 -0.04 2.34 2.22 3k9fB1 GLU 120 HG3 0.10 0.06 -0.25 -0.04 2.34 2.22 3k9fB1 ALA 121 H 0.17 0.62 0.31 -0.55 8.40 8.96 3k9fB1 ALA 121 HA 0.25 0.29 1.10 -0.75 4.34 5.22 3k9fB1 ALA 121 HB3 0.11 -0.01 -0.06 -0.04 1.41 1.40 3k9fB1 ARG 122 H -0.01 0.66 0.36 -0.55 8.46 8.92 3k9fB1 ARG 122 HA -0.05 0.10 0.12 -0.75 4.34 3.75 3k9fB1 ARG 122 HB2 -0.17 0.13 -0.12 -0.04 1.90 1.70 3k9fB1 ARG 122 HB3 -0.33 0.02 0.03 -0.04 1.80 1.49 3k9fB1 ARG 122 HG2 -0.51 -0.14 -0.14 -0.04 1.67 0.83 3k9fB1 ARG 122 HG3 -0.20 0.25 -0.38 -0.04 1.67 1.31 3k9fB1 ARG 122 HD2 -0.36 0.20 -0.07 -0.04 3.22 2.94 3k9fB1 ARG 122 HD3 -1.05 -0.10 -0.21 -0.04 3.22 1.82 3k9fB1 LEU 123 H -0.03 0.52 0.21 -0.55 8.37 8.52 3k9fB1 LEU 123 HA -0.01 0.14 0.58 -0.75 4.35 4.31 3k9fB1 LEU 123 HB2 0.02 -0.12 0.11 -0.04 1.64 1.61 3k9fB1 LEU 123 HB3 0.01 0.02 0.09 -0.04 1.64 1.72 3k9fB1 LEU 123 HG -0.01 0.09 -0.07 -0.04 1.64 1.61 3k9fB1 LEU 123 HD13 -0.01 0.01 -0.09 -0.04 0.93 0.80 3k9fB1 LEU 123 HD23 -0.01 0.00 -0.02 -0.04 0.89 0.82 3k9fB1 SER 124 H -0.00 0.46 0.08 -0.55 8.46 8.45 3k9fB1 SER 124 HA 0.04 0.19 0.62 -0.75 4.49 4.58 3k9fB1 SER 124 HB2 -0.02 -0.04 0.01 -0.04 3.95 3.86 3k9fB1 SER 124 HB3 -0.01 0.03 -0.36 -0.04 3.93 3.55 3k9fB1 GLU 125 H -0.09 0.21 0.13 -0.55 8.60 8.30 3k9fB1 GLU 125 HA -0.50 0.05 0.25 -0.75 4.29 3.34 3k9fB1 GLU 125 HB2 -0.72 0.05 0.11 -0.04 2.09 1.48 3k9fB1 GLU 125 HB3 -0.11 0.02 0.14 -0.04 1.99 1.99 3k9fB1 GLU 125 HG2 0.08 0.03 -0.17 -0.04 2.34 2.24 3k9fB1 GLU 125 HG3 -0.96 -0.04 0.00 -0.04 2.34 1.30 3k9fB1 ILE 126 H -0.20 0.15 -0.02 -0.55 8.25 7.64 3k9fB1 ILE 126 HA -0.49 0.10 0.37 -0.75 4.18 3.40 3k9fB1 ILE 126 HB -0.86 0.04 0.08 -0.04 1.89 1.11 3k9fB1 ILE 126 HG12 -0.93 -0.08 0.02 -0.04 1.49 0.46 3k9fB1 ILE 126 HG13 -2.44 0.03 0.02 -0.04 1.21 -1.22 3k9fB1 ILE 126 HG23 -0.23 0.00 -0.19 -0.04 0.93 0.47 3k9fB1 ILE 126 HD13 -1.09 0.03 -0.05 -0.04 0.88 -0.27 3k9fB1 ALA 127 H -0.06 0.10 -0.43 -0.55 8.40 7.47 3k9fB1 ALA 127 HA 0.07 0.06 0.58 -0.75 4.34 4.29 3k9fB1 ALA 127 HB3 0.00 0.05 0.14 -0.04 1.41 1.56 3k9fB1 GLY 128 H 0.02 0.41 -0.24 -0.55 8.43 8.08 3k9fB1 GLY 128 HA2 0.00 0.02 0.43 -0.51 4.01 3.96 3k9fB1 GLY 128 HA3 -0.01 0.08 0.27 -0.51 4.01 3.84 3k9fB1 TYR 129 H 0.23 0.31 -0.47 -0.55 8.29 7.80 3k9fB1 TYR 129 HA 0.07 0.07 0.61 -0.75 4.56 4.55 3k9fB1 TYR 129 HB2 0.03 0.29 0.16 -0.04 3.06 3.50 3k9fB1 TYR 129 HB3 0.22 -0.07 -0.05 -0.04 2.98 3.03 3k9fB1 TYR 129 HD2 0.08 0.04 -0.02 -0.04 7.15 7.22 3k9fB1 TYR 129 HE2 0.16 -0.00 -0.08 -0.04 6.85 6.89 3k9fB1 LEU 130 H 0.17 0.36 -0.08 -0.55 8.37 8.28 3k9fB1 LEU 130 HA -0.04 -0.12 0.67 -0.75 4.35 4.11 3k9fB1 LEU 130 HB2 0.00 0.21 0.15 -0.04 1.64 1.96 3k9fB1 LEU 130 HB3 -0.06 -0.05 0.04 -0.04 1.64 1.53 3k9fB1 LEU 130 HG 0.00 0.03 0.08 -0.04 1.64 1.71 3k9fB1 LEU 130 HD13 -0.08 0.01 0.02 -0.04 0.93 0.84 3k9fB1 LEU 130 HD23 -0.49 -0.04 0.08 -0.04 0.89 0.40 3k9fB1 LEU 131 H 0.02 0.29 -0.51 -0.55 8.37 7.62 3k9fB1 LEU 131 HA 0.01 0.09 0.55 -0.75 4.35 4.24 3k9fB1 LEU 131 HB2 -0.01 0.11 0.07 -0.04 1.64 1.77 3k9fB1 LEU 131 HB3 0.01 -0.09 0.08 -0.04 1.64 1.59 3k9fB1 LEU 131 HG 0.01 -0.04 -0.14 -0.04 1.64 1.42 3k9fB1 LEU 131 HD13 -0.01 0.00 -0.12 -0.04 0.93 0.77 3k9fB1 LEU 131 HD23 0.06 -0.01 -0.09 -0.04 0.89 0.81 3k9fB1 GLN 132 H -0.01 0.24 -0.47 -0.55 8.47 7.69 3k9fB1 GLN 132 HA -0.07 -0.07 0.38 -0.75 4.36 3.85 3k9fB1 GLN 132 HB2 -0.15 0.02 0.15 -0.04 2.15 2.13 3k9fB1 GLN 132 HB3 0.00 0.09 0.10 -0.04 2.02 2.18 3k9fB1 GLN 132 HG2 -0.03 0.01 -0.26 -0.04 2.40 2.08 3k9fB1 GLN 132 HG3 -0.10 -0.06 -0.01 -0.04 2.39 2.18 3k9fB1 GLN 132 HE21 0.10 0.02 -0.04 -0.04 6.97 7.01 3k9fB1 GLN 132 HE22 0.02 0.01 -0.10 -0.04 7.69 7.58 3k9fB1 ASP 133 H -0.05 0.10 0.21 -0.55 8.40 8.11 3k9fB1 ASP 133 HA -0.06 -0.03 0.30 -0.75 4.63 4.09 3k9fB1 ASP 133 HB2 -0.05 0.43 0.11 -0.04 2.71 3.16 3k9fB1 ASP 133 HB3 -0.07 -0.03 0.14 -0.04 2.70 2.70 3k9fB1 ILE 134 H -0.02 0.41 -0.07 -0.55 8.25 8.03 3k9fB1 ILE 134 HA 0.01 0.07 0.15 -0.75 4.18 3.67 3k9fB1 ILE 134 HB 0.05 0.15 0.08 -0.04 1.89 2.13 3k9fB1 ILE 134 HG12 0.30 -0.03 -0.03 -0.04 1.49 1.69 3k9fB1 ILE 134 HG13 0.13 -0.00 0.07 -0.04 1.21 1.37 3k9fB1 ILE 134 HG23 0.08 -0.01 -0.03 -0.04 0.93 0.93 3k9fB1 ILE 134 HD13 0.16 -0.00 0.01 -0.04 0.88 1.01 3k9fB1 GLU 135 H -0.06 0.03 -0.31 -0.55 8.60 7.72 3k9fB1 GLU 135 HA -0.13 0.17 0.70 -0.75 4.29 4.29 3k9fB1 GLU 135 HB2 -0.08 0.02 0.15 -0.04 2.09 2.14 3k9fB1 GLU 135 HB3 -0.04 0.00 0.05 -0.04 1.99 1.96 3k9fB1 GLU 135 HG2 -0.09 0.04 -0.24 -0.04 2.34 2.00 3k9fB1 GLU 135 HG3 -0.04 0.01 -0.03 -0.04 2.34 2.24 3k9fB1 LYS 136 H -0.23 0.63 -0.42 -0.55 8.42 7.84 3k9fB1 LYS 136 HA -1.47 0.21 0.91 -0.75 4.32 3.22 3k9fB1 LYS 136 HB2 -0.26 0.09 0.12 -0.04 1.87 1.79 3k9fB1 LYS 136 HB3 -0.50 0.03 0.21 -0.04 1.79 1.48 3k9fB1 LYS 136 HG2 -0.20 0.03 -0.02 -0.04 1.46 1.23 3k9fB1 LYS 136 HG3 -0.19 -0.12 -0.22 -0.04 1.46 0.89 3k9fB1 LYS 136 HD2 -0.04 0.00 0.02 -0.04 1.69 1.64 3k9fB1 LYS 136 HD3 0.11 0.04 0.03 -0.04 1.68 1.83 3k9fB1 LYS 136 HE2 0.09 0.00 -0.03 -0.04 2.99 3.01 3k9fB1 LYS 136 HE3 -0.00 -0.06 -0.04 -0.04 2.99 2.85 3k9fB1 LYS 137 H -0.32 0.16 -0.32 -0.55 8.42 7.38 3k9fB1 LYS 137 HA -0.12 0.03 0.33 -0.75 4.32 3.80 3k9fB1 LYS 137 HB2 -0.09 0.11 -0.31 -0.04 1.87 1.54 3k9fB1 LYS 137 HB3 -0.02 -0.03 0.10 -0.04 1.79 1.80 3k9fB1 LYS 137 HG2 -0.15 0.01 0.00 -0.04 1.46 1.29 3k9fB1 LYS 137 HG3 -0.22 0.01 -0.15 -0.04 1.46 1.06 3k9fB1 LYS 137 HD2 0.27 -0.01 -0.06 -0.04 1.69 1.85 3k9fB1 LYS 137 HD3 0.07 -0.01 -0.03 -0.04 1.68 1.67 3k9fB1 LYS 137 HE2 -0.07 0.01 -0.02 -0.04 2.99 2.86 3k9fB1 LYS 137 HE3 0.02 0.01 -0.03 -0.04 2.99 2.94 3k9fB1 THR 138 H -0.05 0.15 -0.03 -0.55 8.28 7.80 3k9fB1 THR 138 HA -0.07 0.17 0.54 -0.75 4.39 4.28 3k9fB1 THR 138 HB -0.09 -0.03 0.10 -0.04 4.32 4.26 3k9fB1 THR 138 HG23 -0.11 -0.03 -0.19 -0.04 1.22 0.85 3k9fB1 VAL 139 H 0.01 0.18 -0.24 -0.55 8.24 7.64 3k9fB1 VAL 139 HA -0.01 0.15 0.68 -0.75 4.13 4.19 3k9fB1 VAL 139 HB -0.00 -0.15 -0.47 -0.04 2.12 1.46 3k9fB1 VAL 139 HG13 -0.05 0.00 -0.18 -0.04 0.97 0.71 3k9fB1 VAL 139 HG23 0.00 0.04 -0.29 -0.04 0.95 0.66 3k9fB1 PRO 140 HA 0.05 0.03 0.45 -0.51 4.44 4.46 3k9fB1 PRO 140 HB2 -0.03 -0.02 0.03 -0.04 2.28 2.22 3k9fB1 PRO 140 HB3 0.02 0.05 0.06 -0.04 2.02 2.11 3k9fB1 PRO 140 HG2 -0.02 0.02 0.05 -0.04 2.03 2.05 3k9fB1 PRO 140 HG3 0.01 0.06 0.06 -0.04 2.03 2.12 3k9fB1 PRO 140 HD2 -0.03 0.08 0.14 -0.04 3.68 3.83 3k9fB1 PRO 140 HD3 0.00 0.20 0.21 -0.04 3.65 4.02 3k9fB1 PHE 141 H 0.14 0.12 0.24 -0.55 8.34 8.29 3k9fB1 PHE 141 HA -0.15 0.30 1.07 -0.75 4.62 5.09 3k9fB1 PHE 141 HB2 -0.15 -0.04 0.11 -0.04 3.15 3.02 3k9fB1 PHE 141 HB3 -0.24 -0.03 -0.05 -0.04 3.06 2.70 3k9fB1 PHE 141 HD2 -0.17 0.00 -0.28 -0.04 7.28 6.79 3k9fB1 PHE 141 HE2 -0.17 0.09 -0.15 -0.04 7.38 7.12 3k9fB1 PHE 141 HZ -0.07 -0.01 -0.08 -0.04 7.32 7.12 3k9fB1 ALA 142 H -0.14 0.66 0.33 -0.55 8.40 8.71 3k9fB1 ALA 142 HA -0.04 0.14 0.74 -0.75 4.34 4.42 3k9fB1 ALA 142 HB3 0.03 0.01 0.02 -0.04 1.41 1.43 3k9fB1 TRP 143 H 0.25 0.12 0.16 -0.55 7.97 7.96 3k9fB1 TRP 143 HA 0.06 0.15 0.67 -0.75 4.62 4.74 3k9fB1 TRP 143 HB2 0.03 -0.01 0.15 -0.04 3.23 3.36 3k9fB1 TRP 143 HB3 0.01 0.04 0.12 -0.04 3.23 3.36 3k9fB1 TRP 143 HD1 0.03 -0.01 0.02 -0.04 7.22 7.23 3k9fB1 TRP 143 HE1 0.02 -0.00 -0.05 -0.04 10.20 10.13 3k9fB1 TRP 143 HE3 -0.00 -0.12 -0.15 -0.04 7.59 7.28 3k9fB1 TRP 143 HZ2 0.01 -0.01 -0.08 -0.04 7.44 7.31 3k9fB1 TRP 143 HZ3 0.00 0.01 -0.59 -0.04 7.13 6.51 3k9fB1 TRP 143 HH2 0.01 0.01 -0.15 -0.04 7.19 7.02 3k9fB1 ASN 144 H 0.26 0.53 0.39 -0.55 8.53 9.17 3k9fB1 ASN 144 HA 0.13 0.19 0.72 -0.75 4.76 5.05 3k9fB1 ASN 144 HB2 -0.43 0.06 0.26 -0.04 2.88 2.73 3k9fB1 ASN 144 HB3 0.02 0.10 0.15 -0.04 2.79 3.01 3k9fB1 ASN 144 HD21 -0.24 -0.13 0.03 -0.04 7.03 6.65 3k9fB1 ASN 144 HD22 -0.59 0.50 0.14 -0.04 7.74 7.74 3k9fB1 PHE 145 H -0.21 0.25 0.12 -0.55 8.34 7.94 3k9fB1 PHE 145 HA 0.07 0.12 0.39 -0.75 4.62 4.44 3k9fB1 PHE 145 HB2 0.01 0.01 0.01 -0.04 3.15 3.14 3k9fB1 PHE 145 HB3 0.05 0.04 0.09 -0.04 3.06 3.19 3k9fB1 PHE 145 HD2 0.04 0.06 -0.15 -0.04 7.28 7.18 3k9fB1 PHE 145 HE2 0.03 -0.04 -0.49 -0.04 7.38 6.84 3k9fB1 PHE 145 HZ -0.01 0.12 -0.51 -0.04 7.32 6.88 3k9fB1 ASP 146 H -0.73 0.11 -0.14 -0.55 8.40 7.09 3k9fB1 ASP 146 HA 0.07 0.09 0.40 -0.75 4.63 4.43 3k9fB1 ASP 146 HB2 -0.32 -0.06 0.05 -0.04 2.71 2.34 3k9fB1 ASP 146 HB3 -0.08 0.01 -0.18 -0.04 2.70 2.41 3k9fB1 ASP 147 H -0.01 0.35 -0.68 -0.55 8.40 7.51 3k9fB1 ASP 147 HA -0.01 -0.00 0.25 -0.75 4.63 4.12 3k9fB1 ASP 147 HB2 -0.21 0.20 0.30 -0.04 2.71 2.96 3k9fB1 ASP 147 HB3 -0.59 -0.07 0.22 -0.04 2.70 2.21 3k9fB1 THR 148 H 0.09 -0.04 -0.03 -0.55 8.28 7.75 3k9fB1 THR 148 HA 0.07 0.26 0.90 -0.75 4.39 4.87 3k9fB1 THR 148 HB 0.01 0.00 0.07 -0.04 4.32 4.37 3k9fB1 THR 148 HG23 -0.04 -0.00 -0.28 -0.04 1.22 0.86 3k9fB1 GLU 149 H 0.41 0.03 0.18 -0.55 8.60 8.66 3k9fB1 GLU 149 HA 0.16 0.14 0.68 -0.75 4.29 4.52 3k9fB1 GLU 149 HB2 0.03 0.11 -0.30 -0.04 2.09 1.89 3k9fB1 GLU 149 HB3 -0.04 -0.02 -0.08 -0.04 1.99 1.80 3k9fB1 GLU 149 HG2 0.27 0.20 -0.07 -0.04 2.34 2.70 3k9fB1 GLU 149 HG3 0.13 -0.04 0.14 -0.04 2.34 2.53 3k9fB1 LYS 150 H 0.02 0.18 0.16 -0.55 8.42 8.22 3k9fB1 LYS 150 HA -0.09 0.30 1.05 -0.75 4.32 4.83 3k9fB1 LYS 150 HB2 -0.21 -0.03 0.04 -0.04 1.87 1.63 3k9fB1 LYS 150 HB3 0.08 0.03 -0.04 -0.04 1.79 1.82 3k9fB1 LYS 150 HG2 -1.40 0.01 -0.34 -0.04 1.46 -0.32 3k9fB1 LYS 150 HG3 -1.09 -0.03 -0.17 -0.04 1.46 0.13 3k9fB1 LYS 150 HD2 -0.46 -0.00 -0.11 -0.04 1.69 1.08 3k9fB1 LYS 150 HD3 -0.44 0.02 -0.29 -0.04 1.68 0.93 3k9fB1 LYS 150 HE2 -1.74 -0.03 -0.18 -0.04 2.99 1.00 3k9fB1 LYS 150 HE3 -1.17 -0.01 -0.13 -0.04 2.99 1.64 3k9fB1 GLU 151 H 0.01 0.63 0.37 -0.55 8.60 9.06 3k9fB1 GLU 151 HA -0.47 0.17 0.79 -0.75 4.29 4.01 3k9fB1 GLU 151 HB2 0.23 -0.04 -0.23 -0.04 2.09 2.01 3k9fB1 GLU 151 HB3 -0.04 -0.00 -0.07 -0.04 1.99 1.83 3k9fB1 GLU 151 HG2 -0.43 0.20 -0.03 -0.04 2.34 2.04 3k9fB1 GLU 151 HG3 -0.42 -0.05 -0.02 -0.04 2.34 1.81 3k9fB1 PRO 152 HA -1.27 0.19 0.74 -0.51 4.44 3.59 3k9fB1 PRO 152 HB2 -0.47 -0.01 -0.21 -0.04 2.28 1.55 3k9fB1 PRO 152 HB3 -0.70 0.10 0.04 -0.04 2.02 1.42 3k9fB1 PRO 152 HG2 -0.62 -0.00 0.00 -0.04 2.03 1.37 3k9fB1 PRO 152 HG3 -0.85 0.04 0.02 -0.04 2.03 1.20 3k9fB1 PRO 152 HD2 -1.12 0.08 0.15 -0.04 3.68 2.75 3k9fB1 PRO 152 HD3 -2.05 0.15 0.17 -0.04 3.65 1.88 3k9fB1 THR 153 H -0.33 0.67 0.31 -0.55 8.28 8.39 3k9fB1 THR 153 HA -0.17 0.14 0.74 -0.75 4.39 4.34 3k9fB1 THR 153 HB -0.06 -0.05 0.05 -0.04 4.32 4.21 3k9fB1 THR 153 HG23 -0.08 0.01 -0.13 -0.04 1.22 0.99 3k9fB1 VAL 154 H -0.21 0.29 0.05 -0.55 8.24 7.82 3k9fB1 VAL 154 HA -0.15 0.04 0.34 -0.75 4.13 3.61 3k9fB1 VAL 154 HB -0.15 0.05 -0.06 -0.04 2.12 1.93 3k9fB1 VAL 154 HG13 -0.00 0.00 -0.12 -0.04 0.97 0.81 3k9fB1 VAL 154 HG23 -0.27 0.04 0.07 -0.04 0.95 0.75 3k9fB1 LEU 155 H -0.11 0.05 0.07 -0.55 8.37 7.83 3k9fB1 LEU 155 HA -0.07 0.22 0.91 -0.75 4.35 4.65 3k9fB1 LEU 155 HB2 -0.07 -0.07 0.05 -0.04 1.64 1.50 3k9fB1 LEU 155 HB3 -0.03 0.22 0.07 -0.04 1.64 1.86 3k9fB1 LEU 155 HG -0.10 -0.09 -0.12 -0.04 1.64 1.29 3k9fB1 LEU 155 HD13 -0.05 -0.00 -0.10 -0.04 0.93 0.73 3k9fB1 LEU 155 HD23 -0.09 0.04 -0.14 -0.04 0.89 0.66 3k9fB1 PRO 156 HA -0.01 0.05 0.34 -0.51 4.44 4.31 3k9fB1 PRO 156 HB2 -0.00 0.04 -0.11 -0.04 2.28 2.17 3k9fB1 PRO 156 HB3 -0.04 0.05 -0.03 -0.04 2.02 1.95 3k9fB1 PRO 156 HG2 -0.01 -0.02 -0.29 -0.04 2.03 1.67 3k9fB1 PRO 156 HG3 -0.02 -0.01 -0.15 -0.04 2.03 1.80 3k9fB1 PRO 156 HD2 -0.01 0.12 0.22 -0.04 3.68 3.98 3k9fB1 PRO 156 HD3 -0.02 0.14 0.13 -0.04 3.65 3.86 3k9fB1 ALA 157 H -0.00 0.49 -0.05 -0.55 8.40 8.29 3k9fB1 ALA 157 HA -0.09 -0.18 0.47 -0.75 4.34 3.78 3k9fB1 ALA 157 HB3 0.02 0.03 -0.03 -0.04 1.41 1.39 3k9fB1 ALA 158 H 0.09 0.22 0.04 -0.55 8.40 8.21 3k9fB1 ALA 158 HA 0.14 0.16 0.33 -0.75 4.34 4.21 3k9fB1 ALA 158 HB3 0.27 -0.03 0.05 -0.04 1.41 1.66 3k9fB1 PHE 159 H -0.02 -0.01 -0.19 -0.55 8.34 7.56 3k9fB1 PHE 159 HA 0.09 0.22 0.29 -0.75 4.62 4.46 3k9fB1 PHE 159 HB2 -0.08 0.03 0.05 -0.04 3.15 3.11 3k9fB1 PHE 159 HB3 -0.04 0.03 0.02 -0.04 3.06 3.04 3k9fB1 PHE 159 HD2 -0.07 -0.01 -0.25 -0.04 7.28 6.90 3k9fB1 PHE 159 HE2 -0.10 0.05 -0.09 -0.04 7.38 7.19 3k9fB1 PHE 159 HZ -0.13 0.02 -0.12 -0.04 7.32 7.06 3k9fB1 PRO 160 HA -0.71 0.26 0.57 -0.51 4.44 4.05 3k9fB1 PRO 160 HB2 -0.39 -0.11 0.15 -0.04 2.28 1.89 3k9fB1 PRO 160 HB3 -1.16 0.11 0.04 -0.04 2.02 0.97 3k9fB1 PRO 160 HG2 -0.23 0.01 -0.08 -0.04 2.03 1.69 3k9fB1 PRO 160 HG3 -0.60 0.12 -0.05 -0.04 2.03 1.46 3k9fB1 PRO 160 HD2 0.08 0.07 0.04 -0.04 3.68 3.83 3k9fB1 PRO 160 HD3 0.07 0.18 0.13 -0.04 3.65 3.98 3k9fB1 ASN 161 H -0.48 0.41 0.02 -0.55 8.53 7.93 3k9fB1 ASN 161 HA -0.08 -0.04 0.13 -0.75 4.76 4.02 3k9fB1 ASN 161 HB2 -0.63 -0.04 0.03 -0.04 2.88 2.20 3k9fB1 ASN 161 HB3 -0.26 0.26 -0.07 -0.04 2.79 2.67 3k9fB1 ASN 161 HD21 -0.07 -0.04 -0.07 -0.04 7.03 6.81 3k9fB1 ASN 161 HD22 -0.13 0.27 -0.06 -0.04 7.74 7.78 3k9fB1 LEU 162 H -0.19 0.13 -0.51 -0.55 8.37 7.25 3k9fB1 LEU 162 HA -0.09 0.15 0.23 -0.75 4.35 3.89 3k9fB1 LEU 162 HB2 -0.12 0.03 -0.13 -0.04 1.64 1.38 3k9fB1 LEU 162 HB3 -0.13 -0.04 -0.06 -0.04 1.64 1.36 3k9fB1 LEU 162 HG -0.08 0.01 -0.12 -0.04 1.64 1.41 3k9fB1 LEU 162 HD13 -0.07 0.02 -0.16 -0.04 0.93 0.67 3k9fB1 LEU 162 HD23 -0.05 0.02 -0.17 -0.04 0.89 0.65 3k9fB1 LEU 163 H -0.18 0.14 -0.17 -0.55 8.37 7.61 3k9fB1 LEU 163 HA -0.22 0.11 0.34 -0.75 4.35 3.82 3k9fB1 LEU 163 HB2 -0.23 0.03 0.02 -0.04 1.64 1.42 3k9fB1 LEU 163 HB3 -0.39 -0.02 -0.13 -0.04 1.64 1.06 3k9fB1 LEU 163 HG -0.22 -0.02 -0.09 -0.04 1.64 1.26 3k9fB1 LEU 163 HD13 -0.30 -0.01 -0.07 -0.04 0.93 0.51 3k9fB1 LEU 163 HD23 -0.43 0.01 -0.11 -0.04 0.89 0.32 3k9fB1 VAL 164 H -0.07 0.32 -0.25 -0.55 8.24 7.68 3k9fB1 VAL 164 HA 0.02 0.10 0.43 -0.75 4.13 3.91 3k9fB1 VAL 164 HB 0.12 0.00 0.00 -0.04 2.12 2.20 3k9fB1 VAL 164 HG13 0.03 0.01 -0.14 -0.04 0.97 0.82 3k9fB1 VAL 164 HG23 0.03 0.00 -0.10 -0.04 0.95 0.84 3k9fB1 ASN 165 H 0.01 0.37 0.08 -0.55 8.53 8.45 3k9fB1 ASN 165 HA -0.01 -0.07 0.86 -0.75 4.76 4.78 3k9fB1 ASN 165 HB2 -0.00 0.12 0.12 -0.04 2.88 3.08 3k9fB1 ASN 165 HB3 -0.00 0.02 0.10 -0.04 2.79 2.86 3k9fB1 ASN 165 HD21 0.03 0.29 0.05 -0.04 7.03 7.37 3k9fB1 ASN 165 HD22 0.03 0.01 0.02 -0.04 7.74 7.76 3k9fB1 GLY 166 H -0.01 0.25 -0.40 -0.55 8.43 7.73 3k9fB1 GLY 166 HA2 0.02 0.08 0.15 -0.51 4.01 3.75 3k9fB1 GLY 166 HA3 0.04 0.10 0.11 -0.51 4.01 3.74 3k9fB1 SER 167 H 0.08 0.51 0.31 -0.55 8.46 8.81 3k9fB1 SER 167 HA 0.03 0.05 0.46 -0.75 4.49 4.28 3k9fB1 SER 167 HB2 -0.01 0.24 -0.12 -0.04 3.95 4.02 3k9fB1 SER 167 HB3 0.01 -0.08 -0.13 -0.04 3.93 3.70 3k9fB1 THR 168 H 0.03 0.26 0.19 -0.55 8.28 8.21 3k9fB1 THR 168 HA 0.03 0.31 0.38 -0.75 4.39 4.37 3k9fB1 THR 168 HB 0.04 0.03 0.23 -0.04 4.32 4.57 3k9fB1 THR 168 HG23 0.11 -0.04 0.01 -0.04 1.22 1.26 3k9fB1 GLY 169 H 0.01 -0.06 0.18 -0.55 8.43 8.01 3k9fB1 GLY 169 HA2 0.01 0.18 0.30 -0.51 4.01 3.99 3k9fB1 GLY 169 HA3 0.02 0.59 0.66 -0.51 4.01 4.77 3k9fB1 ILE 170 H 0.01 0.16 0.21 -0.55 8.25 8.08 3k9fB1 ILE 170 HA 0.03 0.10 0.56 -0.75 4.18 4.11 3k9fB1 ILE 170 HB 0.02 -0.05 0.19 -0.04 1.89 2.01 3k9fB1 ILE 170 HG12 0.02 0.12 0.13 -0.04 1.49 1.72 3k9fB1 ILE 170 HG13 0.02 -0.10 -0.41 -0.04 1.21 0.67 3k9fB1 ILE 170 HG23 0.04 0.01 -0.19 -0.04 0.93 0.75 3k9fB1 ILE 170 HD13 0.02 -0.01 -0.02 -0.04 0.88 0.83 3k9fB1 SER 171 H 0.05 0.54 0.14 -0.55 8.46 8.64 3k9fB1 SER 171 HA -0.01 0.23 0.96 -0.75 4.49 4.92 3k9fB1 SER 171 HB2 -0.01 -0.24 0.02 -0.04 3.95 3.67 3k9fB1 SER 171 HB3 -0.02 0.05 -0.15 -0.04 3.93 3.77 3k9fB1 ALA 172 H 0.01 0.21 0.09 -0.55 8.40 8.15 3k9fB1 ALA 172 HA 0.08 0.15 0.83 -0.75 4.34 4.64 3k9fB1 ALA 172 HB3 -0.01 0.01 0.11 -0.04 1.41 1.48 3k9fB1 GLY 173 H 0.05 0.20 -0.06 -0.55 8.43 8.08 3k9fB1 GLY 173 HA2 -0.10 -0.01 0.34 -0.51 4.01 3.74 3k9fB1 GLY 173 HA3 -0.12 0.17 0.60 -0.51 4.01 4.15 3k9fB1 TYR 174 H 0.32 0.22 -0.56 -0.55 8.29 7.72 3k9fB1 TYR 174 HA 0.02 0.23 0.91 -0.75 4.56 4.96 3k9fB1 TYR 174 HB2 -0.00 -0.01 -0.13 -0.04 3.06 2.88 3k9fB1 TYR 174 HB3 0.01 0.09 0.04 -0.04 2.98 3.07 3k9fB1 TYR 174 HD2 0.01 0.04 -0.06 -0.04 7.15 7.09 3k9fB1 TYR 174 HE2 0.02 0.01 -0.03 -0.04 6.85 6.80 3k9fB1 ALA 175 H 0.11 0.23 0.10 -0.55 8.40 8.30 3k9fB1 ALA 175 HA 0.06 -0.02 0.27 -0.75 4.34 3.90 3k9fB1 ALA 175 HB3 0.03 0.08 0.12 -0.04 1.41 1.60 3k9fB1 THR 176 H 0.03 0.51 0.19 -0.55 8.28 8.46 3k9fB1 THR 176 HA 0.05 0.33 1.01 -0.75 4.39 5.02 3k9fB1 THR 176 HB 0.02 -0.04 -0.13 -0.04 4.32 4.12 3k9fB1 THR 176 HG23 0.02 -0.05 -0.06 -0.04 1.22 1.08 3k9fB1 ASP 177 H 0.05 0.68 0.32 -0.55 8.40 8.91 3k9fB1 ASP 177 HA 0.06 0.26 0.75 -0.75 4.63 4.95 3k9fB1 ASP 177 HB2 -0.06 -0.09 0.21 -0.04 2.71 2.73 3k9fB1 ASP 177 HB3 -0.12 0.05 0.12 -0.04 2.70 2.70 3k9fB1 ILE 178 H 0.12 0.84 0.31 -0.55 8.25 8.97 3k9fB1 ILE 178 HA 0.18 0.11 0.83 -0.75 4.18 4.55 3k9fB1 ILE 178 HB 0.06 -0.11 0.13 -0.04 1.89 1.93 3k9fB1 ILE 178 HG12 0.10 0.01 -0.17 -0.04 1.49 1.39 3k9fB1 ILE 178 HG13 0.07 -0.06 -0.31 -0.04 1.21 0.87 3k9fB1 ILE 178 HG23 0.08 0.05 -0.08 -0.04 0.93 0.94 3k9fB1 ILE 178 HD13 0.01 0.01 -0.17 -0.04 0.88 0.69 3k9fB1 PRO 179 HA -0.10 0.12 0.52 -0.51 4.44 4.47 3k9fB1 PRO 179 HB2 -0.68 0.10 -0.12 -0.04 2.28 1.54 3k9fB1 PRO 179 HB3 -0.84 -0.04 0.00 -0.04 2.02 1.10 3k9fB1 PRO 179 HG2 -0.05 0.00 -0.04 -0.04 2.03 1.90 3k9fB1 PRO 179 HG3 -0.68 -0.01 -0.07 -0.04 2.03 1.23 3k9fB1 PRO 179 HD2 0.30 0.12 0.13 -0.04 3.68 4.19 3k9fB1 PRO 179 HD3 0.16 0.15 0.18 -0.04 3.65 4.10 3k9fB1 PRO 180 HA -0.02 0.27 0.36 -0.51 4.44 4.54 3k9fB1 PRO 180 HB2 -0.29 0.09 0.00 -0.04 2.28 2.04 3k9fB1 PRO 180 HB3 -0.11 0.00 0.23 -0.04 2.02 2.10 3k9fB1 PRO 180 HG2 -0.35 -0.06 0.09 -0.04 2.03 1.67 3k9fB1 PRO 180 HG3 -0.10 0.27 0.08 -0.04 2.03 2.24 3k9fB1 PRO 180 HD2 -0.83 -0.07 0.14 -0.04 3.68 2.88 3k9fB1 PRO 180 HD3 -0.38 0.12 0.21 -0.04 3.65 3.56 3k9fB1 HIS 181 H 0.07 0.57 0.48 -0.55 8.41 8.99 3k9fB1 HIS 181 HA -0.16 -0.08 0.84 -0.75 4.63 4.47 3k9fB1 HIS 181 HB2 -0.08 0.02 -0.28 -0.04 3.26 2.88 3k9fB1 HIS 181 HB3 -0.06 -0.07 -0.09 -0.04 3.20 2.93 3k9fB1 HIS 181 HD2 0.02 0.02 -0.24 -0.04 6.97 6.72 3k9fB1 HIS 181 HE1 0.12 -0.03 -0.13 -0.04 7.75 7.67 3k9fB1 ASN 182 H -0.02 0.19 0.07 -0.55 8.53 8.22 3k9fB1 ASN 182 HA -0.03 0.13 0.56 -0.75 4.76 4.66 3k9fB1 ASN 182 HB2 -0.04 0.07 0.13 -0.04 2.88 3.00 3k9fB1 ASN 182 HB3 -0.00 -0.01 0.19 -0.04 2.79 2.93 3k9fB1 ASN 182 HD21 -0.01 0.54 0.03 -0.04 7.03 7.55 3k9fB1 ASN 182 HD22 -0.02 -0.02 -0.10 -0.04 7.74 7.56 3k9fB1 LEU 183 H -0.03 0.26 0.20 -0.55 8.37 8.25 3k9fB1 LEU 183 HA -0.02 0.04 0.30 -0.75 4.35 3.92 3k9fB1 LEU 183 HB2 -0.10 0.07 0.12 -0.04 1.64 1.68 3k9fB1 LEU 183 HB3 -0.06 -0.02 0.04 -0.04 1.64 1.56 3k9fB1 LEU 183 HG -0.27 -0.03 -0.05 -0.04 1.64 1.25 3k9fB1 LEU 183 HD13 -0.16 0.03 -0.17 -0.04 0.93 0.59 3k9fB1 LEU 183 HD23 -0.04 -0.01 -0.18 -0.04 0.89 0.62 3k9fB1 ALA 184 H -0.02 0.12 -0.17 -0.55 8.40 7.78 3k9fB1 ALA 184 HA -0.00 0.06 0.31 -0.75 4.34 3.96 3k9fB1 ALA 184 HB3 0.00 0.01 0.08 -0.04 1.41 1.46 3k9fB1 GLU 185 H 0.01 0.10 -0.18 -0.55 8.60 7.99 3k9fB1 GLU 185 HA 0.06 0.05 0.35 -0.75 4.29 4.00 3k9fB1 GLU 185 HB2 0.04 0.01 0.13 -0.04 2.09 2.22 3k9fB1 GLU 185 HB3 0.06 0.20 0.10 -0.04 1.99 2.30 3k9fB1 GLU 185 HG2 0.04 0.01 0.09 -0.04 2.34 2.44 3k9fB1 GLU 185 HG3 0.02 -0.14 0.11 -0.04 2.34 2.28 3k9fB1 VAL 186 H 0.01 0.56 -0.16 -0.55 8.24 8.10 3k9fB1 VAL 186 HA -0.04 -0.01 0.25 -0.75 4.13 3.58 3k9fB1 VAL 186 HB -0.04 0.12 0.01 -0.04 2.12 2.17 3k9fB1 VAL 186 HG13 -0.15 -0.01 -0.16 -0.04 0.97 0.61 3k9fB1 VAL 186 HG23 -0.04 0.02 -0.23 -0.04 0.95 0.65 3k9fB1 ILE 187 H -0.01 0.60 -0.23 -0.55 8.25 8.06 3k9fB1 ILE 187 HA -0.01 -0.02 0.37 -0.75 4.18 3.77 3k9fB1 ILE 187 HB 0.00 0.17 0.18 -0.04 1.89 2.20 3k9fB1 ILE 187 HG12 0.02 -0.10 0.03 -0.04 1.49 1.40 3k9fB1 ILE 187 HG13 -0.00 0.37 0.02 -0.04 1.21 1.56 3k9fB1 ILE 187 HG23 0.02 -0.01 -0.16 -0.04 0.93 0.74 3k9fB1 ILE 187 HD13 0.02 -0.01 -0.05 -0.04 0.88 0.80 3k9fB1 ASP 188 H 0.00 0.62 -0.09 -0.55 8.40 8.38 3k9fB1 ASP 188 HA -0.06 -0.05 0.36 -0.75 4.63 4.13 3k9fB1 ASP 188 HB2 0.07 0.21 0.16 -0.04 2.71 3.11 3k9fB1 ASP 188 HB3 0.03 -0.08 0.00 -0.04 2.70 2.61 3k9fB1 ALA 189 H -0.04 0.56 -0.19 -0.55 8.40 8.19 3k9fB1 ALA 189 HA -0.24 -0.02 0.52 -0.75 4.34 3.85 3k9fB1 ALA 189 HB3 -0.02 0.02 0.06 -0.04 1.41 1.43 3k9fB1 ALA 190 H -0.04 0.64 -0.05 -0.55 8.40 8.41 3k9fB1 ALA 190 HA 0.02 -0.03 0.29 -0.75 4.34 3.88 3k9fB1 ALA 190 HB3 0.06 0.03 0.10 -0.04 1.41 1.55 3k9fB1 VAL 191 H -0.03 0.68 -0.14 -0.55 8.24 8.21 3k9fB1 VAL 191 HA -0.01 -0.01 0.36 -0.75 4.13 3.72 3k9fB1 VAL 191 HB -0.08 0.12 0.11 -0.04 2.12 2.24 3k9fB1 VAL 191 HG13 -0.03 -0.03 -0.07 -0.04 0.97 0.80 3k9fB1 VAL 191 HG23 0.00 0.14 -0.00 -0.04 0.95 1.05 3k9fB1 TYR 192 H -0.11 0.58 -0.13 -0.55 8.29 8.08 3k9fB1 TYR 192 HA -0.09 -0.05 0.48 -0.75 4.56 4.15 3k9fB1 TYR 192 HB2 -0.71 0.04 0.15 -0.04 3.06 2.50 3k9fB1 TYR 192 HB3 -0.29 0.13 0.18 -0.04 2.98 2.97 3k9fB1 TYR 192 HD2 0.06 0.08 -0.21 -0.04 7.15 7.03 3k9fB1 TYR 192 HE2 0.07 -0.03 -0.03 -0.04 6.85 6.83 3k9fB1 MET 193 H 0.09 0.68 -0.13 -0.55 8.47 8.56 3k9fB1 MET 193 HA 0.17 0.07 0.18 -0.75 4.52 4.19 3k9fB1 MET 193 HB2 0.06 0.08 0.06 -0.04 2.15 2.30 3k9fB1 MET 193 HB3 0.04 0.03 -0.10 -0.04 2.03 1.95 3k9fB1 MET 193 HG2 0.07 0.04 0.07 -0.04 2.63 2.76 3k9fB1 MET 193 HG3 0.09 -0.07 -0.00 -0.04 2.56 2.53 3k9fB1 MET 193 HE3 0.03 -0.01 -0.05 -0.04 2.10 2.03 3k9fB1 ILE 194 H -0.02 0.42 -0.42 -0.55 8.25 7.67 3k9fB1 ILE 194 HA -0.09 -0.00 0.50 -0.75 4.18 3.83 3k9fB1 ILE 194 HB -0.04 0.14 0.16 -0.04 1.89 2.11 3k9fB1 ILE 194 HG12 0.13 -0.08 0.01 -0.04 1.49 1.50 3k9fB1 ILE 194 HG13 0.04 0.06 -0.02 -0.04 1.21 1.25 3k9fB1 ILE 194 HG23 0.00 -0.02 -0.11 -0.04 0.93 0.76 3k9fB1 ILE 194 HD13 0.06 -0.03 -0.17 -0.04 0.88 0.69 3k9fB1 ASP 195 H -0.22 0.39 -0.05 -0.55 8.40 7.98 3k9fB1 ASP 195 HA -0.32 -0.00 0.56 -0.75 4.63 4.11 3k9fB1 ASP 195 HB2 -0.66 0.09 0.18 -0.04 2.71 2.28 3k9fB1 ASP 195 HB3 -0.78 -0.10 -0.03 -0.04 2.70 1.75 3k9fB1 HIS 196 H -0.41 0.67 0.03 -0.55 8.41 8.15 3k9fB1 HIS 196 HA -0.11 0.15 0.88 -0.75 4.63 4.80 3k9fB1 HIS 196 HB2 -0.07 0.00 0.13 -0.04 3.26 3.28 3k9fB1 HIS 196 HB3 0.00 -0.10 0.02 -0.04 3.20 3.08 3k9fB1 HIS 196 HD2 -0.10 -0.00 -0.05 -0.04 6.97 6.77 3k9fB1 HIS 196 HE1 -0.40 -0.01 -0.02 -0.04 7.75 7.28 3k9fB1 PRO 197 HA -0.01 0.32 0.36 -0.51 4.44 4.60 3k9fB1 PRO 197 HB2 -0.03 -0.09 -0.00 -0.04 2.28 2.13 3k9fB1 PRO 197 HB3 -0.05 0.00 0.08 -0.04 2.02 2.02 3k9fB1 PRO 197 HG2 -0.12 -0.07 0.06 -0.04 2.03 1.86 3k9fB1 PRO 197 HG3 -0.18 0.22 0.04 -0.04 2.03 2.07 3k9fB1 PRO 197 HD2 -0.06 -0.05 0.13 -0.04 3.68 3.66 3k9fB1 PRO 197 HD3 -0.17 0.53 -0.44 -0.04 3.65 3.52 3k9fB1 THR 198 H 0.05 0.08 -0.37 -0.55 8.28 7.50 3k9fB1 THR 198 HA 0.03 0.16 0.53 -0.75 4.39 4.36 3k9fB1 THR 198 HB 0.03 -0.05 0.12 -0.04 4.32 4.38 3k9fB1 THR 198 HG23 0.01 -0.00 -0.03 -0.04 1.22 1.16 3k9fB1 ALA 199 H 0.12 0.48 -0.64 -0.55 8.40 7.82 3k9fB1 ALA 199 HA 0.18 -0.12 0.35 -0.75 4.34 3.99 3k9fB1 ALA 199 HB3 0.20 0.05 0.02 -0.04 1.41 1.64 3k9fB1 LYS 200 H 0.04 0.02 0.23 -0.55 8.42 8.16 3k9fB1 LYS 200 HA 0.02 0.17 0.68 -0.75 4.32 4.43 3k9fB1 ILE 201 H 0.01 0.18 0.16 -0.55 8.25 8.04 3k9fB1 ILE 201 HA 0.00 0.14 0.27 -0.75 4.18 3.84 3k9fB1 ILE 201 HB 0.01 -0.03 0.16 -0.04 1.89 1.99 3k9fB1 ILE 201 HG12 0.01 -0.00 0.02 -0.04 1.49 1.48 3k9fB1 ILE 201 HG13 0.01 0.03 0.07 -0.04 1.21 1.28 3k9fB1 ILE 201 HG23 0.04 0.01 -0.25 -0.04 0.93 0.70 3k9fB1 ILE 201 HD13 0.06 0.09 -0.19 -0.04 0.88 0.79 3k9fB1 ASP 202 H -0.01 0.07 -0.15 -0.55 8.40 7.76 3k9fB1 ASP 202 HA -0.01 0.08 0.32 -0.75 4.63 4.27 3k9fB1 LYS 203 H -0.05 0.10 -0.18 -0.55 8.42 7.73 3k9fB1 LYS 203 HA -0.12 0.06 0.40 -0.75 4.32 3.90 3k9fB1 LEU 204 H -0.05 0.31 -0.29 -0.55 8.37 7.80 3k9fB1 LEU 204 HA 0.08 0.02 0.42 -0.75 4.35 4.11 3k9fB1 LEU 204 HB2 -0.00 0.13 0.14 -0.04 1.64 1.87 3k9fB1 LEU 204 HB3 -0.01 -0.02 -0.04 -0.04 1.64 1.53 3k9fB1 LEU 204 HG -0.02 0.11 -0.14 -0.04 1.64 1.55 3k9fB1 LEU 204 HD13 -0.01 -0.01 -0.15 -0.04 0.93 0.71 3k9fB1 LEU 204 HD23 -0.01 -0.01 -0.04 -0.04 0.89 0.79 3k9fB1 MET 205 H 0.02 0.56 -0.11 -0.55 8.47 8.39 3k9fB1 MET 205 HA 0.10 0.41 0.32 -0.75 4.52 4.60 3k9fB1 MET 205 HB2 -0.00 0.18 0.08 -0.04 2.15 2.36 3k9fB1 MET 205 HB3 0.03 -0.11 -0.00 -0.04 2.03 1.91 3k9fB1 MET 205 HG2 0.10 0.10 0.05 -0.04 2.63 2.84 3k9fB1 MET 205 HG3 0.04 -0.14 -0.05 -0.04 2.56 2.37 3k9fB1 MET 205 HE3 -0.04 -0.03 -0.01 -0.04 2.10 1.98 3k9fB1 GLU 206 H -0.10 0.23 -0.56 -0.55 8.60 7.63 3k9fB1 GLU 206 HA -0.15 -0.03 0.38 -0.75 4.29 3.74 3k9fB1 PHE 207 H -0.05 0.30 -0.14 -0.55 8.34 7.90 3k9fB1 PHE 207 HA -0.01 0.08 0.85 -0.75 4.62 4.78 3k9fB1 PHE 207 HB2 -0.04 0.01 0.07 -0.04 3.15 3.15 3k9fB1 PHE 207 HB3 -0.01 -0.06 -0.08 -0.04 3.06 2.88 3k9fB1 PHE 207 HD2 -0.09 0.03 0.03 -0.04 7.28 7.21 3k9fB1 PHE 207 HE2 -0.32 -0.05 -0.06 -0.04 7.38 6.90 3k9fB1 PHE 207 HZ 0.17 -0.05 -0.03 -0.04 7.32 7.36 3k9fB1 LEU 208 H 0.15 0.57 0.05 -0.55 8.37 8.60 3k9fB1 LEU 208 HA 0.10 0.16 0.78 -0.75 4.35 4.63 3k9fB1 LEU 208 HB2 0.03 -0.05 -0.02 -0.04 1.64 1.56 3k9fB1 LEU 208 HB3 0.00 -0.09 0.05 -0.04 1.64 1.57 3k9fB1 LEU 208 HG 0.00 -0.07 -0.22 -0.04 1.64 1.31 3k9fB1 LEU 208 HD13 -0.27 -0.03 -0.13 -0.04 0.93 0.47 3k9fB1 LEU 208 HD23 0.22 0.01 -0.22 -0.04 0.89 0.85 3k9fB1 PRO 209 HA 0.13 -0.01 0.85 -0.51 4.44 4.90 3k9fB1 PRO 209 HB2 0.01 -0.09 0.00 -0.04 2.28 2.16 3k9fB1 PRO 209 HB3 0.01 -0.01 0.00 -0.04 2.02 1.98 3k9fB1 PRO 209 HG2 0.00 -0.07 0.01 -0.04 2.03 1.93 3k9fB1 PRO 209 HG3 0.00 0.25 -0.25 -0.04 2.03 2.00 3k9fB1 PRO 209 HD2 0.05 0.03 0.18 -0.04 3.68 3.89 3k9fB1 PRO 209 HD3 0.06 0.53 -0.32 -0.04 3.65 3.87 3k9fB1 GLY 210 H 0.03 0.00 0.02 -0.55 8.43 7.94 3k9fB1 GLY 210 HA2 -0.07 -0.06 0.29 -0.51 4.01 3.65 3k9fB1 GLY 210 HA3 -0.04 0.01 0.27 -0.51 4.01 3.74 3k9fB1 PRO 211 HA -1.00 0.11 0.44 -0.51 4.44 3.47 3k9fB1 PRO 211 HB2 -1.07 -0.08 -0.11 -0.04 2.28 0.97 3k9fB1 PRO 211 HB3 -0.96 0.24 -0.05 -0.04 2.02 1.21 3k9fB1 PRO 211 HG2 -0.21 -0.01 -0.05 -0.04 2.03 1.71 3k9fB1 PRO 211 HG3 0.03 0.07 -0.07 -0.04 2.03 2.01 3k9fB1 PRO 211 HD2 -0.07 0.06 0.07 -0.04 3.68 3.71 3k9fB1 PRO 211 HD3 0.06 -0.01 0.11 -0.04 3.65 3.77 3k9fB1 ASP 212 H -0.61 0.80 0.15 -0.55 8.40 8.19 3k9fB1 ASP 212 HA -0.23 0.06 0.74 -0.75 4.63 4.45 3k9fB1 ASP 212 HB2 -0.13 0.07 -0.03 -0.04 2.71 2.58 3k9fB1 ASP 212 HB3 -0.16 -0.07 -0.01 -0.04 2.70 2.43 3k9fB1 PHE 213 H -0.20 0.13 0.00 -0.55 8.34 7.72 3k9fB1 PHE 213 HA -0.33 0.22 0.52 -0.75 4.62 4.28 3k9fB1 PHE 213 HB2 -0.10 0.20 0.07 -0.04 3.15 3.28 3k9fB1 PHE 213 HB3 -0.12 -0.09 0.05 -0.04 3.06 2.86 3k9fB1 PHE 213 HD2 -0.80 0.07 -0.00 -0.04 7.28 6.51 3k9fB1 PHE 213 HE2 -0.60 0.01 -0.07 -0.04 7.38 6.68 3k9fB1 PHE 213 HZ -1.03 -0.02 -0.09 -0.04 7.32 6.13 3k9fB1 PRO 214 HA 0.06 0.10 0.43 -0.51 4.44 4.53 3k9fB1 PRO 214 HB2 0.22 -0.03 -0.05 -0.04 2.28 2.37 3k9fB1 PRO 214 HB3 0.11 0.30 0.06 -0.04 2.02 2.45 3k9fB1 PRO 214 HG2 0.22 0.09 -0.50 -0.04 2.03 1.81 3k9fB1 PRO 214 HG3 0.04 -0.01 -0.32 -0.04 2.03 1.70 3k9fB1 PRO 214 HD2 0.15 0.04 0.18 -0.04 3.68 4.01 3k9fB1 PRO 214 HD3 -0.13 0.20 0.22 -0.04 3.65 3.90 3k9fB1 THR 215 H 0.25 0.10 -0.26 -0.55 8.28 7.82 3k9fB1 THR 215 HA 0.14 0.06 0.48 -0.75 4.39 4.32 3k9fB1 THR 215 HB 0.10 0.18 -0.00 -0.04 4.32 4.56 3k9fB1 THR 215 HG23 0.20 0.00 -0.00 -0.04 1.22 1.38 3k9fB1 GLY 216 H 0.12 0.36 -0.80 -0.55 8.43 7.56 3k9fB1 GLY 216 HA2 0.07 -0.03 -0.18 -0.51 4.01 3.35 3k9fB1 GLY 216 HA3 0.06 0.02 0.36 -0.51 4.01 3.94 3k9fB1 ALA 217 H 0.05 0.08 0.17 -0.55 8.40 8.15 3k9fB1 ALA 217 HA 0.04 -0.04 0.29 -0.75 4.34 3.87 3k9fB1 ALA 217 HB3 0.02 0.07 -0.21 -0.04 1.41 1.25 3k9fB1 ILE 218 H 0.02 0.57 0.25 -0.55 8.25 8.54 3k9fB1 ILE 218 HA 0.02 0.15 1.07 -0.75 4.18 4.67 3k9fB1 ILE 218 HB -0.01 0.14 0.14 -0.04 1.89 2.12 3k9fB1 ILE 218 HG12 0.01 0.02 -0.06 -0.04 1.49 1.42 3k9fB1 ILE 218 HG13 0.02 -0.07 -0.32 -0.04 1.21 0.80 3k9fB1 ILE 218 HG23 -0.02 -0.03 -0.21 -0.04 0.93 0.63 3k9fB1 ILE 218 HD13 0.01 -0.00 -0.05 -0.04 0.88 0.80 3k9fB1 ILE 219 H 0.02 0.68 0.34 -0.55 8.25 8.74 3k9fB1 ILE 219 HA 0.03 0.36 1.08 -0.75 4.18 4.91 3k9fB1 ILE 219 HB 0.04 0.11 0.12 -0.04 1.89 2.12 3k9fB1 ILE 219 HG12 0.18 0.01 -0.17 -0.04 1.49 1.48 3k9fB1 ILE 219 HG13 0.14 -0.01 -0.31 -0.04 1.21 0.99 3k9fB1 ILE 219 HG23 0.07 -0.04 -0.21 -0.04 0.93 0.71 3k9fB1 ILE 219 HD13 0.20 0.02 -0.15 -0.04 0.88 0.91 3k9fB1 GLN 220 H 0.01 0.77 0.43 -0.55 8.47 9.13 3k9fB1 GLN 220 HA -0.01 -0.04 1.03 -0.75 4.36 4.58 3k9fB1 GLY 221 H -0.02 0.04 0.25 -0.55 8.43 8.16 3k9fB1 GLY 221 HA2 -0.02 0.04 0.34 -0.51 4.01 3.86 3k9fB1 GLY 221 HA3 0.00 0.27 1.07 -0.51 4.01 4.84 3k9fB1 ARG 222 H -0.03 0.16 0.22 -0.55 8.46 8.26 3k9fB1 ARG 222 HA -0.07 0.12 0.34 -0.75 4.34 3.97 3k9fB1 ARG 222 HB2 -0.04 0.11 0.16 -0.04 1.90 2.08 3k9fB1 ARG 222 HB3 -0.04 -0.03 0.15 -0.04 1.80 1.84 3k9fB1 ARG 222 HG2 -0.04 -0.00 -0.11 -0.04 1.67 1.47 3k9fB1 ARG 222 HG3 -0.06 -0.02 0.05 -0.04 1.67 1.60 3k9fB1 ARG 222 HD2 -0.03 0.06 -0.01 -0.04 3.22 3.19 3k9fB1 ARG 222 HD3 -0.03 0.02 0.01 -0.04 3.22 3.18 3k9fB1 ASP 223 H -0.04 0.08 -0.14 -0.55 8.40 7.75 3k9fB1 ASP 223 HA -0.05 0.09 0.41 -0.75 4.63 4.32 3k9fB1 GLU 224 H -0.05 0.03 -0.16 -0.55 8.60 7.88 3k9fB1 GLU 224 HA -0.06 0.02 0.55 -0.75 4.29 4.05 3k9fB1 GLU 224 HB2 -0.02 -0.02 0.30 -0.04 2.09 2.31 3k9fB1 GLU 224 HB3 -0.01 0.02 0.00 -0.04 1.99 1.96 3k9fB1 GLU 224 HG2 -0.01 -0.14 0.13 -0.04 2.34 2.27 3k9fB1 GLU 224 HG3 0.01 0.29 0.27 -0.04 2.34 2.87 3k9fB1 ILE 225 H -0.13 0.71 -0.05 -0.55 8.25 8.23 3k9fB1 ILE 225 HA -0.56 0.02 0.40 -0.75 4.18 3.29 3k9fB1 ILE 225 HB -0.23 0.08 0.14 -0.04 1.89 1.85 3k9fB1 ILE 225 HG12 -0.09 0.01 -0.07 -0.04 1.49 1.30 3k9fB1 ILE 225 HG13 -0.08 0.08 -0.19 -0.04 1.21 0.98 3k9fB1 ILE 225 HG23 -0.74 -0.03 -0.06 -0.04 0.93 0.07 3k9fB1 ILE 225 HD13 -0.06 -0.02 -0.10 -0.04 0.88 0.66 3k9fB1 LYS 226 H -0.17 0.66 -0.03 -0.55 8.42 8.33 3k9fB1 LYS 226 HA -0.09 0.01 0.40 -0.75 4.32 3.87 3k9fB1 LYS 227 H -0.12 0.44 -0.16 -0.55 8.42 8.03 3k9fB1 LYS 227 HA -0.05 -0.04 0.45 -0.75 4.32 3.93 3k9fB1 LYS 227 HB2 -0.06 0.02 0.22 -0.04 1.87 2.01 3k9fB1 LYS 227 HB3 -0.08 0.14 0.26 -0.04 1.79 2.06 3k9fB1 LYS 227 HG2 -0.03 -0.06 0.13 -0.04 1.46 1.46 3k9fB1 LYS 227 HG3 -0.02 -0.06 0.09 -0.04 1.46 1.43 3k9fB1 LYS 227 HD2 -0.02 0.12 0.10 -0.04 1.69 1.85 3k9fB1 LYS 227 HD3 -0.01 -0.03 0.02 -0.04 1.68 1.62 3k9fB1 LYS 227 HE2 -0.02 -0.02 0.04 -0.04 2.99 2.95 3k9fB1 LYS 227 HE3 -0.02 -0.03 0.07 -0.04 2.99 2.97 3k9fB1 ALA 228 H -0.28 0.56 -0.06 -0.55 8.40 8.07 3k9fB1 ALA 228 HA -0.11 -0.03 0.28 -0.75 4.34 3.73 3k9fB1 ALA 228 HB3 -0.83 0.01 -0.07 -0.04 1.41 0.48 3k9fB1 TYR 229 H -0.20 0.69 -0.05 -0.55 8.29 8.18 3k9fB1 TYR 229 HA -0.07 -0.03 0.42 -0.75 4.56 4.13 3k9fB1 TYR 229 HB2 -0.08 0.11 0.12 -0.04 3.06 3.16 3k9fB1 TYR 229 HB3 -0.04 -0.10 0.04 -0.04 2.98 2.83 3k9fB1 TYR 229 HD2 -0.06 -0.02 -0.09 -0.04 7.15 6.94 3k9fB1 TYR 229 HE2 0.19 0.10 -0.13 -0.04 6.85 6.97 3k9fB1 GLU 230 H 0.02 0.45 -0.33 -0.55 8.60 8.20 3k9fB1 GLU 230 HA 0.03 -0.01 0.77 -0.75 4.29 4.33 3k9fB1 GLU 230 HB2 0.01 -0.04 0.11 -0.04 2.09 2.13 3k9fB1 GLU 230 HB3 -0.00 0.09 0.26 -0.04 1.99 2.29 3k9fB1 GLU 230 HG2 0.00 -0.06 0.02 -0.04 2.34 2.26 3k9fB1 GLU 230 HG3 0.01 0.04 -0.19 -0.04 2.34 2.16 3k9fB1 THR 231 H 0.00 0.64 0.19 -0.55 8.28 8.56 3k9fB1 THR 231 HA 0.02 0.10 0.58 -0.75 4.39 4.34 3k9fB1 THR 231 HB 0.02 -0.03 0.04 -0.04 4.32 4.31 3k9fB1 THR 231 HG23 0.00 -0.00 0.08 -0.04 1.22 1.26 3k9fB1 GLY 232 H 0.02 0.22 0.24 -0.55 8.43 8.37 3k9fB1 GLY 232 HA2 0.08 0.21 0.31 -0.51 4.01 4.10 3k9fB1 GLY 232 HA3 0.06 0.12 0.64 -0.51 4.01 4.32 3k9fB1 LYS 233 H 0.03 0.08 0.18 -0.55 8.42 8.16 3k9fB1 LYS 233 HA 0.13 0.68 1.10 -0.75 4.32 5.47 3k9fB1 LYS 233 HB2 0.04 -0.07 -0.01 -0.04 1.87 1.79 3k9fB1 LYS 233 HB3 0.04 -0.05 -0.04 -0.04 1.79 1.70 3k9fB1 LYS 233 HG2 0.05 -0.02 0.05 -0.04 1.46 1.50 3k9fB1 LYS 233 HG3 0.07 0.13 0.01 -0.04 1.46 1.64 3k9fB1 LYS 233 HD2 0.05 0.01 -0.12 -0.04 1.69 1.59 3k9fB1 LYS 233 HD3 0.03 -0.05 -0.06 -0.04 1.68 1.56 3k9fB1 LYS 233 HE2 0.04 0.03 -0.03 -0.04 2.99 2.99 3k9fB1 LYS 233 HE3 0.03 -0.01 -0.04 -0.04 2.99 2.93 3k9fB1 GLY 234 H 0.16 0.42 0.36 -0.55 8.43 8.83 3k9fB1 GLY 234 HA2 0.03 0.02 0.46 -0.51 4.01 4.02 3k9fB1 GLY 234 HA3 -0.01 0.09 0.40 -0.51 4.01 3.99 3k9fB1 ARG 235 H 0.06 0.17 0.21 -0.55 8.46 8.35 3k9fB1 ARG 235 HA 0.15 0.38 1.13 -0.75 4.34 5.24 3k9fB1 VAL 236 H 0.20 0.70 0.39 -0.55 8.24 8.98 3k9fB1 VAL 236 HA 0.10 0.11 0.95 -0.75 4.13 4.53 3k9fB1 VAL 236 HB 0.40 0.06 0.01 -0.04 2.12 2.55 3k9fB1 VAL 236 HG13 0.15 -0.00 -0.18 -0.04 0.97 0.89 3k9fB1 VAL 236 HG23 0.20 -0.02 -0.19 -0.04 0.95 0.90 3k9fB1 VAL 237 H 0.04 0.61 0.42 -0.55 8.24 8.76 3k9fB1 VAL 237 HA 0.03 0.23 1.25 -0.75 4.13 4.89 3k9fB1 VAL 237 HB -0.02 -0.07 0.21 -0.04 2.12 2.20 3k9fB1 VAL 237 HG13 -0.06 0.01 -0.23 -0.04 0.97 0.65 3k9fB1 VAL 237 HG23 -0.02 0.01 -0.04 -0.04 0.95 0.86 3k9fB1 VAL 238 H 0.00 0.84 0.42 -0.55 8.24 8.96 3k9fB1 VAL 238 HA -0.01 0.35 1.21 -0.75 4.13 4.93 3k9fB1 VAL 238 HB -0.06 -0.01 0.05 -0.04 2.12 2.05 3k9fB1 VAL 238 HG13 -0.16 -0.02 -0.14 -0.04 0.97 0.62 3k9fB1 VAL 238 HG23 -0.06 -0.01 -0.24 -0.04 0.95 0.60 3k9fB1 ARG 239 H -0.02 0.72 0.38 -0.55 8.46 8.98 3k9fB1 ARG 239 HA 0.04 0.18 0.97 -0.75 4.34 4.78 3k9fB1 ARG 239 HB2 -0.21 -0.03 -0.10 -0.04 1.90 1.52 3k9fB1 ARG 239 HB3 -0.10 -0.03 0.10 -0.04 1.80 1.73 3k9fB1 ARG 239 HG2 -0.05 0.14 -0.17 -0.04 1.67 1.56 3k9fB1 ARG 239 HG3 -0.54 0.01 -0.02 -0.04 1.67 1.08 3k9fB1 ARG 239 HD2 -0.25 -0.06 -0.06 -0.04 3.22 2.81 3k9fB1 ARG 239 HD3 -0.30 -0.03 -0.05 -0.04 3.22 2.81 3k9fB1 SER 240 H 0.20 0.70 0.40 -0.55 8.46 9.21 3k9fB1 SER 240 HA 0.06 0.01 0.47 -0.75 4.49 4.28 3k9fB1 SER 240 HB2 0.06 -0.01 0.24 -0.04 3.95 4.19 3k9fB1 SER 240 HB3 0.05 -0.13 0.38 -0.04 3.93 4.18 3k9fB1 LYS 241 H 0.06 0.41 0.39 -0.55 8.42 8.72 3k9fB1 LYS 241 HA 0.08 0.13 0.62 -0.75 4.32 4.39 3k9fB1 LYS 241 HB2 0.04 0.02 0.04 -0.04 1.87 1.93 3k9fB1 LYS 241 HB3 0.04 -0.08 0.18 -0.04 1.79 1.89 3k9fB1 LYS 241 HG2 0.04 0.02 -0.27 -0.04 1.46 1.21 3k9fB1 LYS 241 HG3 0.04 0.02 -0.00 -0.04 1.46 1.47 3k9fB1 THR 242 H 0.08 0.17 0.26 -0.55 8.28 8.24 3k9fB1 THR 242 HA 0.03 0.33 1.20 -0.75 4.39 5.20 3k9fB1 THR 242 HB 0.03 0.04 0.15 -0.04 4.32 4.50 3k9fB1 THR 242 HG23 0.04 0.02 -0.20 -0.04 1.22 1.04 3k9fB1 GLU 243 H 0.02 0.60 0.45 -0.55 8.60 9.12 3k9fB1 GLU 243 HA 0.02 0.13 0.70 -0.75 4.29 4.39 3k9fB1 ILE 244 H 0.01 0.21 0.20 -0.55 8.25 8.13 3k9fB1 ILE 244 HA 0.00 0.32 1.05 -0.75 4.18 4.81 3k9fB1 ILE 244 HB 0.01 0.00 0.02 -0.04 1.89 1.88 3k9fB1 ILE 244 HG12 0.01 0.00 -0.01 -0.04 1.49 1.45 3k9fB1 ILE 244 HG13 0.01 -0.04 0.09 -0.04 1.21 1.23 3k9fB1 ILE 244 HG23 0.01 -0.00 -0.11 -0.04 0.93 0.79 3k9fB1 ILE 244 HD13 0.01 0.00 0.04 -0.04 0.88 0.89 3k9fB1 GLU 245 H 0.00 0.65 0.32 -0.55 8.60 9.03 3k9fB1 GLU 245 HA 0.00 0.18 0.95 -0.75 4.29 4.67 3k9fB1 GLU 245 HB2 -0.00 -0.05 -0.01 -0.04 2.09 1.99 3k9fB1 GLU 245 HB3 -0.00 0.08 -0.06 -0.04 1.99 1.97 3k9fB1 GLU 245 HG2 0.00 0.09 -0.08 -0.04 2.34 2.31 3k9fB1 GLU 245 HG3 0.00 -0.05 -0.34 -0.04 2.34 1.91 3k9fB1 LYS 246 H 0.00 0.18 0.17 -0.55 8.42 8.21 3k9fB1 LYS 246 HA -0.00 0.16 0.85 -0.75 4.32 4.58 3k9fB1 LEU 247 H -0.00 0.47 0.28 -0.55 8.37 8.57 3k9fB1 LEU 247 HA -0.00 0.10 0.68 -0.75 4.35 4.38 3k9fB1 LYS 248 H -0.00 0.18 0.13 -0.55 8.42 8.17 3k9fB1 LYS 248 HA -0.00 -0.06 0.36 -0.75 4.32 3.86 3k9fB1 GLY 249 H -0.00 -0.06 0.30 -0.55 8.43 8.12 3k9fB1 GLY 249 HA2 -0.00 -0.02 0.31 -0.51 4.01 3.79 3k9fB1 GLY 249 HA3 -0.00 0.24 0.95 -0.51 4.01 4.69 3k9fB1 GLY 250 H -0.00 -0.03 0.23 -0.55 8.43 8.08 3k9fB1 GLY 250 HA2 -0.00 -0.05 0.35 -0.51 4.01 3.80 3k9fB1 GLY 250 HA3 -0.00 0.07 0.51 -0.51 4.01 4.08 3k9fB1 LYS 251 H -0.00 0.39 -0.00 -0.55 8.42 8.25 3k9fB1 LYS 251 HA -0.01 0.17 0.75 -0.75 4.32 4.48 3k9fB1 LYS 251 HB2 -0.01 0.01 -0.16 -0.04 1.87 1.67 3k9fB1 LYS 251 HB3 -0.01 -0.02 -0.13 -0.04 1.79 1.59 3k9fB1 LYS 251 HG2 -0.01 0.11 0.10 -0.04 1.46 1.62 3k9fB1 LYS 251 HG3 -0.01 0.08 -0.19 -0.04 1.46 1.31 3k9fB1 LYS 251 HD2 -0.01 -0.02 -0.06 -0.04 1.69 1.56 3k9fB1 LYS 251 HD3 -0.01 -0.10 -0.11 -0.04 1.68 1.42 3k9fB1 LYS 251 HE2 -0.01 -0.10 -0.08 -0.04 2.99 2.77 3k9fB1 LYS 251 HE3 -0.01 0.14 -0.10 -0.04 2.99 2.98 3k9fB1 GLU 252 H -0.01 0.23 0.06 -0.55 8.60 8.34 3k9fB1 GLU 252 HA -0.00 0.25 1.08 -0.75 4.29 4.86 3k9fB1 GLN 253 H -0.00 0.73 0.35 -0.55 8.47 9.01 3k9fB1 GLN 253 HA -0.01 0.11 1.11 -0.75 4.36 4.82 3k9fB1 GLN 253 HB2 -0.01 0.01 -0.18 -0.04 2.15 1.94 3k9fB1 GLN 253 HB3 -0.01 -0.07 -0.07 -0.04 2.02 1.84 3k9fB1 GLN 253 HG2 -0.01 0.08 -0.30 -0.04 2.40 2.13 3k9fB1 GLN 253 HG3 -0.01 -0.05 -0.15 -0.04 2.39 2.14 3k9fB1 GLN 253 HE21 -0.01 0.02 -0.14 -0.04 6.97 6.81 3k9fB1 GLN 253 HE22 -0.01 -0.03 -0.20 -0.04 7.69 7.41 3k9fB1 ILE 254 H -0.01 0.70 0.26 -0.55 8.25 8.64 3k9fB1 ILE 254 HA -0.01 0.17 0.89 -0.75 4.18 4.48 3k9fB1 ILE 254 HB -0.03 0.33 0.33 -0.04 1.89 2.48 3k9fB1 ILE 254 HG12 -0.01 0.03 0.03 -0.04 1.49 1.49 3k9fB1 ILE 254 HG13 -0.02 -0.05 -0.03 -0.04 1.21 1.07 3k9fB1 ILE 254 HG23 -0.05 -0.02 -0.16 -0.04 0.93 0.66 3k9fB1 ILE 254 HD13 -0.05 -0.00 -0.03 -0.04 0.88 0.77 3k9fB1 VAL 255 H -0.00 0.53 0.32 -0.55 8.24 8.54 3k9fB1 VAL 255 HA -0.01 0.37 1.15 -0.75 4.13 4.89 3k9fB1 VAL 255 HB 0.00 -0.05 -0.11 -0.04 2.12 1.92 3k9fB1 VAL 255 HG13 0.00 -0.01 -0.25 -0.04 0.97 0.67 3k9fB1 VAL 255 HG23 -0.01 -0.01 -0.25 -0.04 0.95 0.64 3k9fB1 ILE 256 H -0.01 0.44 0.35 -0.55 8.25 8.48 3k9fB1 ILE 256 HA 0.01 0.36 1.06 -0.75 4.18 4.85 3k9fB1 ILE 256 HB -0.01 -0.07 0.13 -0.04 1.89 1.89 3k9fB1 ILE 256 HG12 -0.03 0.05 -0.16 -0.04 1.49 1.30 3k9fB1 ILE 256 HG13 -0.03 -0.07 -0.60 -0.04 1.21 0.47 3k9fB1 ILE 256 HG23 0.01 -0.01 -0.15 -0.04 0.93 0.74 3k9fB1 ILE 256 HD13 -0.05 -0.01 -0.14 -0.04 0.88 0.64 3k9fB1 THR 257 H 0.02 0.61 0.34 -0.55 8.28 8.69 3k9fB1 THR 257 HA 0.00 0.28 1.02 -0.75 4.39 4.94 3k9fB1 THR 257 HB 0.01 0.02 0.22 -0.04 4.32 4.53 3k9fB1 THR 257 HG23 0.01 -0.01 -0.22 -0.04 1.22 0.96 3k9fB1 GLU 258 H 0.02 0.18 0.18 -0.55 8.60 8.44 3k9fB1 GLU 258 HA 0.03 0.12 0.55 -0.75 4.29 4.24 3k9fB1 GLU 258 HB2 0.04 -0.20 0.18 -0.04 2.09 2.06 3k9fB1 GLU 258 HB3 0.04 0.24 0.19 -0.04 1.99 2.43 3k9fB1 GLU 258 HG2 0.04 0.10 0.22 -0.04 2.34 2.66 3k9fB1 GLU 258 HG3 0.03 0.10 -0.31 -0.04 2.34 2.12 3k9fB1 ILE 259 H 0.02 0.21 0.13 -0.55 8.25 8.06 3k9fB1 ILE 259 HA 0.03 0.18 1.08 -0.75 4.18 4.71 3k9fB1 ILE 259 HB 0.00 0.11 0.08 -0.04 1.89 2.04 3k9fB1 ILE 259 HG12 -0.00 -0.10 0.00 -0.04 1.49 1.35 3k9fB1 ILE 259 HG13 0.00 0.19 -0.22 -0.04 1.21 1.15 3k9fB1 ILE 259 HG23 -0.00 -0.04 -0.19 -0.04 0.93 0.66 3k9fB1 ILE 259 HD13 -0.03 -0.03 -0.07 -0.04 0.88 0.71 3k9fB1 PRO 260 HA -0.07 0.07 0.25 -0.51 4.44 4.18 3k9fB1 PRO 260 HB2 -0.03 0.06 -0.11 -0.04 2.28 2.16 3k9fB1 PRO 260 HB3 -0.07 -0.01 -0.04 -0.04 2.02 1.86 3k9fB1 PRO 260 HG2 0.01 0.29 -0.06 -0.04 2.03 2.23 3k9fB1 PRO 260 HG3 0.01 0.02 -0.17 -0.04 2.03 1.85 3k9fB1 PRO 260 HD2 0.01 0.05 0.08 -0.04 3.68 3.78 3k9fB1 PRO 260 HD3 0.03 0.07 0.22 -0.04 3.65 3.92 3k9fB1 TYR 261 H -0.24 0.09 0.07 -0.55 8.29 7.66 3k9fB1 TYR 261 HA -0.06 0.01 0.39 -0.75 4.56 4.14 3k9fB1 TYR 261 HB2 -0.88 -0.02 0.12 -0.04 3.06 2.24 3k9fB1 TYR 261 HB3 -0.62 -0.01 0.07 -0.04 2.98 2.38 3k9fB1 TYR 261 HD2 0.08 -0.07 0.03 -0.04 7.15 7.15 3k9fB1 TYR 261 HE2 0.15 0.09 0.06 -0.04 6.85 7.10 3k9fB1 GLU 262 H -0.26 0.15 0.19 -0.55 8.60 8.13 3k9fB1 GLU 262 HA -0.23 -0.00 0.30 -0.75 4.29 3.61 3k9fB1 ILE 263 H -0.04 0.32 -0.20 -0.55 8.25 7.78 3k9fB1 ILE 263 HA -0.03 0.23 1.12 -0.75 4.18 4.75 3k9fB1 ILE 263 HB -0.02 0.10 -0.15 -0.04 1.89 1.78 3k9fB1 ILE 263 HG12 -0.02 -0.09 -0.24 -0.04 1.49 1.11 3k9fB1 ILE 263 HG13 -0.01 0.03 -0.08 -0.04 1.21 1.11 3k9fB1 ILE 263 HG23 -0.02 0.09 -0.15 -0.04 0.93 0.81 3k9fB1 ILE 263 HD13 -0.01 -0.02 -0.28 -0.04 0.88 0.53 3k9fB1 ASN 264 H -0.02 0.20 0.06 -0.55 8.53 8.23 3k9fB1 ASN 264 HA -0.04 0.27 0.50 -0.75 4.76 4.74 3k9fB1 ASN 264 HB2 -0.01 0.13 0.09 -0.04 2.88 3.05 3k9fB1 ASN 264 HB3 -0.01 -0.03 0.19 -0.04 2.79 2.89 3k9fB1 ASN 264 HD21 -0.01 0.16 -0.15 -0.04 7.03 6.98 3k9fB1 ASN 264 HD22 -0.00 0.07 -0.04 -0.04 7.74 7.73 3k9fB1 LYS 265 H -0.07 0.44 0.25 -0.55 8.42 8.48 3k9fB1 LYS 265 HA -0.04 0.04 0.31 -0.75 4.32 3.87 3k9fB1 LYS 265 HB2 -0.07 0.10 0.03 -0.04 1.87 1.89 3k9fB1 LYS 265 HB3 -0.11 -0.06 -0.13 -0.04 1.79 1.45 3k9fB1 LYS 265 HG2 -0.06 0.00 -0.58 -0.04 1.46 0.78 3k9fB1 LYS 265 HG3 -0.05 0.02 -0.11 -0.04 1.46 1.28 3k9fB1 LYS 265 HD2 -0.11 0.02 -0.10 -0.04 1.69 1.46 3k9fB1 LYS 265 HD3 -0.10 -0.07 -0.15 -0.04 1.68 1.31 3k9fB1 ALA 266 H -0.06 0.12 -0.26 -0.55 8.40 7.66 3k9fB1 ALA 266 HA -0.04 0.06 0.46 -0.75 4.34 4.07 3k9fB1 ALA 266 HB3 -0.04 0.02 0.09 -0.04 1.41 1.44 3k9fB1 ASN 267 H -0.02 0.19 -0.13 -0.55 8.53 8.03 3k9fB1 ASN 267 HA -0.01 0.03 0.49 -0.75 4.76 4.52 3k9fB1 ASN 267 HB2 -0.01 0.12 0.12 -0.04 2.88 3.07 3k9fB1 ASN 267 HB3 -0.01 0.00 -0.02 -0.04 2.79 2.73 3k9fB1 ASN 267 HD21 -0.00 0.04 -0.02 -0.04 7.03 7.01 3k9fB1 ASN 267 HD22 -0.01 -0.04 0.03 -0.04 7.74 7.68 3k9fB1 LEU 268 H -0.02 0.48 -0.21 -0.55 8.37 8.08 3k9fB1 LEU 268 HA -0.01 0.02 0.40 -0.75 4.35 4.01 3k9fB1 LEU 268 HB2 -0.02 0.04 -0.13 -0.04 1.64 1.49 3k9fB1 LEU 268 HB3 -0.02 0.07 -0.04 -0.04 1.64 1.60 3k9fB1 LEU 268 HG -0.01 0.07 -0.21 -0.04 1.64 1.46 3k9fB1 LEU 268 HD13 -0.01 0.00 -0.16 -0.04 0.93 0.72 3k9fB1 LEU 268 HD23 -0.00 -0.04 -0.05 -0.04 0.89 0.75 3k9fB1 VAL 269 H -0.02 0.58 -0.19 -0.55 8.24 8.06 3k9fB1 VAL 269 HA -0.02 -0.01 0.33 -0.75 4.13 3.68 3k9fB1 VAL 269 HB -0.02 0.25 0.20 -0.04 2.12 2.51 3k9fB1 VAL 269 HG13 -0.02 -0.02 -0.20 -0.04 0.97 0.69 3k9fB1 VAL 269 HG23 -0.03 0.02 -0.00 -0.04 0.95 0.90 3k9fB1 LYS 270 H -0.01 0.45 -0.14 -0.55 8.42 8.17 3k9fB1 LYS 270 HA -0.01 0.00 0.27 -0.75 4.32 3.83 3k9fB1 LYS 270 HB2 -0.01 0.01 0.10 -0.04 1.87 1.93 3k9fB1 LYS 270 HB3 -0.01 0.08 0.15 -0.04 1.79 1.97 3k9fB1 LYS 271 H 0.00 0.58 -0.20 -0.55 8.42 8.25 3k9fB1 LYS 271 HA 0.01 0.01 0.54 -0.75 4.32 4.13 3k9fB1 LYS 271 HB2 0.01 0.07 0.17 -0.04 1.87 2.08 3k9fB1 LYS 271 HB3 0.02 -0.01 0.01 -0.04 1.79 1.78 3k9fB1 LYS 271 HG2 0.01 -0.03 0.04 -0.04 1.46 1.44 3k9fB1 LYS 271 HG3 0.01 0.07 0.05 -0.04 1.46 1.55 3k9fB1 LYS 271 HD2 0.01 -0.01 -0.01 -0.04 1.69 1.64 3k9fB1 LYS 271 HD3 0.01 -0.05 -0.00 -0.04 1.68 1.59 3k9fB1 LYS 271 HE2 0.03 -0.02 0.04 -0.04 2.99 3.00 3k9fB1 LYS 271 HE3 0.03 -0.01 0.02 -0.04 2.99 2.98 3k9fB1 ILE 272 H 0.00 0.65 -0.06 -0.55 8.25 8.30 3k9fB1 ILE 272 HA 0.03 -0.00 0.44 -0.75 4.18 3.89 3k9fB1 ILE 272 HB -0.01 0.12 0.12 -0.04 1.89 2.08 3k9fB1 ILE 272 HG12 -0.01 -0.07 -0.01 -0.04 1.49 1.36 3k9fB1 ILE 272 HG13 -0.00 0.23 0.07 -0.04 1.21 1.46 3k9fB1 ILE 272 HG23 -0.01 -0.02 -0.17 -0.04 0.93 0.69 3k9fB1 ILE 272 HD13 -0.02 -0.03 -0.15 -0.04 0.88 0.63 3k9fB1 ASP 273 H -0.00 0.65 -0.17 -0.55 8.40 8.33 3k9fB1 ASP 273 HA -0.01 -0.02 0.47 -0.75 4.63 4.32 3k9fB1 ASP 273 HB2 -0.01 -0.02 0.07 -0.04 2.71 2.71 3k9fB1 ASP 273 HB3 -0.00 0.21 0.17 -0.04 2.70 3.03 3k9fB1 ASP 274 H 0.01 0.60 -0.04 -0.55 8.40 8.42 3k9fB1 ASP 274 HA 0.00 -0.04 0.46 -0.75 4.63 4.30 3k9fB1 VAL 275 H 0.03 0.56 -0.28 -0.55 8.24 8.00 3k9fB1 VAL 275 HA 0.03 0.01 0.44 -0.75 4.13 3.86 3k9fB1 VAL 275 HB 0.05 0.27 0.13 -0.04 2.12 2.53 3k9fB1 VAL 275 HG13 -0.00 -0.04 -0.27 -0.04 0.97 0.61 3k9fB1 VAL 275 HG23 0.18 0.00 -0.05 -0.04 0.95 1.05 3k9fB1 ARG 276 H -0.01 0.37 -0.28 -0.55 8.46 7.99 3k9fB1 ARG 276 HA -0.04 -0.01 0.48 -0.75 4.34 4.01 3k9fB1 ARG 276 HB2 -0.02 -0.07 0.05 -0.04 1.90 1.81 3k9fB1 ARG 276 HB3 -0.02 0.17 0.18 -0.04 1.80 2.10 3k9fB1 ARG 276 HG2 -0.03 0.04 -0.22 -0.04 1.67 1.42 3k9fB1 ARG 276 HG3 -0.03 -0.16 -0.04 -0.04 1.67 1.40 3k9fB1 ARG 276 HD2 -0.02 0.61 0.07 -0.04 3.22 3.84 3k9fB1 ARG 276 HD3 -0.02 -0.23 -0.27 -0.04 3.22 2.67 3k9fB1 VAL 277 H -0.01 0.49 0.03 -0.55 8.24 8.19 3k9fB1 VAL 277 HA -0.02 0.03 0.36 -0.75 4.13 3.75 3k9fB1 VAL 277 HB -0.01 0.02 0.18 -0.04 2.12 2.28 3k9fB1 VAL 277 HG13 -0.01 -0.00 -0.14 -0.04 0.97 0.77 3k9fB1 VAL 277 HG23 -0.01 0.01 0.03 -0.04 0.95 0.94 3k9fB1 ASN 278 H -0.01 0.43 -0.05 -0.55 8.53 8.35 3k9fB1 ASN 278 HA -0.02 0.04 0.47 -0.75 4.76 4.49 3k9fB1 ASN 279 H -0.04 0.33 -1.06 -0.55 8.53 7.21 3k9fB1 ASN 279 HA -0.07 0.06 0.43 -0.75 4.76 4.42 3k9fB1 ASN 279 HB2 -0.04 0.07 0.01 -0.04 2.88 2.88 3k9fB1 ASN 279 HB3 -0.05 0.03 0.12 -0.04 2.79 2.86 3k9fB1 ASN 279 HD21 -0.06 -0.13 0.12 -0.04 7.03 6.91 3k9fB1 ASN 279 HD22 -0.06 0.08 0.17 -0.04 7.74 7.89 3k9fB1 LYS 280 H -0.10 0.53 -0.00 -0.55 8.42 8.30 3k9fB1 LYS 280 HA -0.12 0.14 0.59 -0.75 4.32 4.17 3k9fB1 LYS 280 HB2 -0.08 -0.03 0.03 -0.04 1.87 1.75 3k9fB1 LYS 280 HB3 -0.04 -0.05 0.09 -0.04 1.79 1.75 3k9fB1 LYS 280 HG2 -0.02 0.03 -0.12 -0.04 1.46 1.30 3k9fB1 LYS 280 HG3 0.03 -0.04 -0.01 -0.04 1.46 1.40 3k9fB1 LYS 280 HD2 -0.02 -0.05 0.02 -0.04 1.69 1.61 3k9fB1 LYS 280 HD3 -0.04 0.11 -0.05 -0.04 1.68 1.66 3k9fB1 LYS 280 HE2 -0.00 0.02 -0.03 -0.04 2.99 2.93 3k9fB1 LYS 280 HE3 0.02 -0.03 -0.02 -0.04 2.99 2.92 3k9fB1 VAL 281 H -0.23 0.29 -0.21 -0.55 8.24 7.55 3k9fB1 VAL 281 HA -0.35 0.14 0.55 -0.75 4.13 3.71 3k9fB1 VAL 281 HB -1.18 0.12 -0.22 -0.04 2.12 0.80 3k9fB1 VAL 281 HG13 -0.21 -0.01 -0.30 -0.04 0.97 0.40 3k9fB1 VAL 281 HG23 -0.23 -0.07 0.03 -0.04 0.95 0.64 3k9fB1 ALA 282 H -0.14 0.08 0.12 -0.55 8.40 7.92 3k9fB1 ALA 282 HA -0.08 0.30 0.59 -0.75 4.34 4.39 3k9fB1 ALA 282 HB3 -0.06 0.01 0.08 -0.04 1.41 1.41 3k9fB1 GLY 283 H -0.07 0.02 0.05 -0.55 8.43 7.89 3k9fB1 GLY 283 HA2 -0.03 0.09 0.41 -0.51 4.01 3.96 3k9fB1 GLY 283 HA3 -0.04 -0.08 0.31 -0.51 4.01 3.68 3k9fB1 ILE 284 H -0.06 0.13 -1.24 -0.55 8.25 6.52 3k9fB1 ILE 284 HA -0.04 -0.04 0.24 -0.75 4.18 3.59 3k9fB1 ALA 285 H -0.03 0.06 -0.01 -0.55 8.40 7.88 3k9fB1 ALA 285 HA -0.02 0.11 0.68 -0.75 4.34 4.35 3k9fB1 ALA 285 HB3 -0.02 0.13 0.28 -0.04 1.41 1.76 3k9fB1 GLU 286 H -0.02 0.42 0.27 -0.55 8.60 8.73 3k9fB1 GLU 286 HA -0.02 0.17 0.78 -0.75 4.29 4.47 3k9fB1 GLU 286 HB2 -0.01 0.04 0.04 -0.04 2.09 2.12 3k9fB1 GLU 286 HB3 -0.01 -0.02 0.09 -0.04 1.99 2.01 3k9fB1 GLU 286 HG2 -0.01 0.02 -0.24 -0.04 2.34 2.07 3k9fB1 GLU 286 HG3 -0.01 0.01 0.06 -0.04 2.34 2.36 3k9fB1 VAL 287 H -0.01 0.22 0.15 -0.55 8.24 8.04 3k9fB1 VAL 287 HA -0.02 0.27 1.04 -0.75 4.13 4.67 3k9fB1 VAL 287 HB -0.01 -0.03 0.02 -0.04 2.12 2.06 3k9fB1 VAL 287 HG13 -0.01 -0.00 -0.20 -0.04 0.97 0.72 3k9fB1 VAL 287 HG23 -0.02 0.00 -0.12 -0.04 0.95 0.78 3k9fB1 ARG 288 H -0.02 0.73 0.29 -0.55 8.46 8.91 3k9fB1 ARG 288 HA -0.02 0.15 0.96 -0.75 4.34 4.68 3k9fB1 ARG 288 HB2 -0.01 0.02 0.05 -0.04 1.90 1.91 3k9fB1 ARG 288 HB3 -0.01 0.03 -0.15 -0.04 1.80 1.62 3k9fB1 ARG 288 HG2 -0.01 0.04 -0.00 -0.04 1.67 1.66 3k9fB1 ARG 288 HG3 -0.01 -0.05 -0.38 -0.04 1.67 1.19 3k9fB1 ARG 288 HD2 -0.01 0.01 -0.07 -0.04 3.22 3.11 3k9fB1 ARG 288 HD3 -0.01 0.00 -0.06 -0.04 3.22 3.11 3k9fB1 ASP 289 H -0.02 0.21 0.15 -0.55 8.40 8.19 3k9fB1 ASP 289 HA -0.02 0.12 0.96 -0.75 4.63 4.94 3k9fB1 ASP 289 HB2 -0.03 -0.01 0.07 -0.04 2.71 2.70 3k9fB1 ASP 289 HB3 -0.03 0.01 0.21 -0.04 2.70 2.86 3k9fB1 GLU 290 H -0.02 0.55 0.20 -0.55 8.60 8.78 3k9fB1 GLU 290 HA -0.02 0.18 0.83 -0.75 4.29 4.53 3k9fB1 GLU 290 HB2 -0.01 0.00 0.07 -0.04 2.09 2.12 3k9fB1 GLU 290 HB3 -0.01 0.01 -0.04 -0.04 1.99 1.90 3k9fB1 GLU 290 HG2 -0.01 -0.05 -0.12 -0.04 2.34 2.12 3k9fB1 GLU 290 HG3 -0.01 0.07 0.04 -0.04 2.34 2.39 3k9fB1 SER 291 H -0.03 0.22 -0.00 -0.55 8.46 8.11 3k9fB1 SER 291 HA -0.02 0.26 0.93 -0.75 4.49 4.90 3k9fB1 SER 291 HB2 -0.05 -0.07 0.05 -0.04 3.95 3.85 3k9fB1 SER 291 HB3 -0.04 0.16 0.14 -0.04 3.93 4.14 3k9fB1 ASP 292 H -0.02 0.51 0.23 -0.55 8.40 8.57 3k9fB1 ASP 292 HA -0.03 0.09 0.76 -0.75 4.63 4.70 3k9fB1 ASP 292 HB2 -0.01 -0.09 0.14 -0.04 2.71 2.71 3k9fB1 ASP 292 HB3 -0.01 -0.01 -0.08 -0.04 2.70 2.56 3k9fB1 ARG 293 H -0.02 0.08 0.12 -0.55 8.46 8.10 3k9fB1 ARG 293 HA -0.01 -0.01 0.49 -0.75 4.34 4.05 3k9fB1 ARG 293 HB2 0.00 0.02 0.13 -0.04 1.90 2.00 3k9fB1 ARG 293 HB3 -0.01 -0.02 0.16 -0.04 1.80 1.90 3k9fB1 ARG 293 HG2 0.00 0.03 -0.47 -0.04 1.67 1.19 3k9fB1 ARG 293 HG3 0.01 0.02 -0.16 -0.04 1.67 1.49 3k9fB1 ARG 293 HD2 0.00 0.03 -0.05 -0.04 3.22 3.16 3k9fB1 ARG 293 HD3 -0.00 -0.00 0.00 -0.04 3.22 3.17 3k9fB1 ASP 294 H 0.01 0.06 0.19 -0.55 8.40 8.11 3k9fB1 ASP 294 HA 0.02 -0.01 0.36 -0.75 4.63 4.25 3k9fB1 ASP 294 HB2 0.02 0.01 0.14 -0.04 2.71 2.83 3k9fB1 ASP 294 HB3 0.01 -0.09 -0.16 -0.04 2.70 2.42 3k9fB1 GLY 295 H -0.01 0.17 -0.13 -0.55 8.43 7.92 3k9fB1 GLY 295 HA2 0.00 -0.02 0.32 -0.51 4.01 3.80 3k9fB1 GLY 295 HA3 -0.00 0.17 0.66 -0.51 4.01 4.32 3k9fB1 LEU 296 H -0.00 0.24 0.16 -0.55 8.37 8.22 3k9fB1 LEU 296 HA -0.03 0.04 0.80 -0.75 4.35 4.40 3k9fB1 LEU 296 HB2 -0.03 -0.05 0.01 -0.04 1.64 1.53 3k9fB1 LEU 296 HB3 -0.01 0.14 0.13 -0.04 1.64 1.86 3k9fB1 LEU 296 HG -0.04 -0.06 -0.11 -0.04 1.64 1.39 3k9fB1 LEU 296 HD13 -0.03 -0.01 -0.09 -0.04 0.93 0.76 3k9fB1 LEU 296 HD23 -0.01 0.01 -0.55 -0.04 0.89 0.30 3k9fB1 ARG 297 H -0.02 0.12 0.08 -0.55 8.46 8.08 3k9fB1 ARG 297 HA -0.01 0.28 0.87 -0.75 4.34 4.73 3k9fB1 ARG 297 HB2 -0.01 0.01 -0.21 -0.04 1.90 1.65 3k9fB1 ARG 297 HB3 -0.01 0.48 0.17 -0.04 1.80 2.39 3k9fB1 ARG 297 HG2 -0.01 -0.09 -0.21 -0.04 1.67 1.31 3k9fB1 ARG 297 HG3 -0.01 -0.01 -0.03 -0.04 1.67 1.58 3k9fB1 ARG 297 HD2 -0.00 0.02 -0.06 -0.04 3.22 3.14 3k9fB1 ARG 297 HD3 -0.01 0.01 -0.05 -0.04 3.22 3.14 3k9fB1 ILE 298 H -0.01 0.55 0.28 -0.55 8.25 8.51 3k9fB1 ILE 298 HA -0.02 0.14 1.07 -0.75 4.18 4.61 3k9fB1 ILE 298 HB -0.02 0.03 0.13 -0.04 1.89 1.99 3k9fB1 ILE 298 HG12 -0.02 0.01 -0.04 -0.04 1.49 1.40 3k9fB1 ILE 298 HG13 -0.02 -0.05 -0.31 -0.04 1.21 0.78 3k9fB1 ILE 298 HG23 -0.02 -0.00 -0.23 -0.04 0.93 0.63 3k9fB1 ILE 298 HD13 -0.02 -0.00 -0.13 -0.04 0.88 0.68 3k9fB1 ALA 299 H -0.02 0.67 0.34 -0.55 8.40 8.84 3k9fB1 ILE 300 H -0.02 0.86 0.32 -0.55 8.25 8.86 3k9fB1 ILE 300 HA -0.02 0.24 1.05 -0.75 4.18 4.69 3k9fB1 ILE 300 HB -0.03 -0.07 0.24 -0.04 1.89 1.99 3k9fB1 ILE 300 HG12 -0.02 -0.00 -0.18 -0.04 1.49 1.24 3k9fB1 ILE 300 HG13 -0.03 0.02 -0.22 -0.04 1.21 0.94 3k9fB1 ILE 300 HG23 -0.02 0.00 -0.12 -0.04 0.93 0.75 3k9fB1 ILE 300 HD13 -0.05 -0.01 -0.11 -0.04 0.88 0.68 3k9fB1 GLU 301 H -0.02 0.40 0.18 -0.55 8.60 8.62 3k9fB1 GLU 301 HA -0.01 0.00 0.91 -0.75 4.29 4.44 3k9fB1 LEU 302 H -0.01 0.60 0.40 -0.55 8.37 8.81 3k9fB1 LEU 302 HA -0.02 0.19 0.67 -0.75 4.35 4.43 3k9fB1 LEU 302 HB2 -0.02 -0.23 0.05 -0.04 1.64 1.41 3k9fB1 LEU 302 HB3 -0.02 0.71 0.15 -0.04 1.64 2.44 3k9fB1 LEU 302 HG -0.01 0.17 0.11 -0.04 1.64 1.86 3k9fB1 LEU 302 HD13 -0.01 -0.07 -0.07 -0.04 0.93 0.74 3k9fB1 LEU 302 HD23 -0.02 -0.05 -0.08 -0.04 0.89 0.70 3k9fB1 LYS 303 H -0.02 0.10 0.03 -0.55 8.42 7.98 3k9fB1 LYS 303 HA -0.01 0.22 0.15 -0.75 4.32 3.93 3k9fB1 LYS 304 H -0.01 -0.01 -0.11 -0.55 8.42 7.73 3k9fB1 LYS 304 HA -0.01 0.32 0.79 -0.75 4.32 4.66 3k9fB1 ASP 305 H -0.01 0.21 0.12 -0.55 8.40 8.16 3k9fB1 ASP 305 HA -0.01 0.13 0.64 -0.75 4.63 4.64 3k9fB1 ALA 306 H -0.01 0.51 0.06 -0.55 8.40 8.42 3k9fB1 ALA 306 HA -0.01 0.06 0.45 -0.75 4.34 4.09 3k9fB1 ALA 306 HB3 -0.00 0.03 0.11 -0.04 1.41 1.51 3k9fB1 ASN 307 H -0.01 0.58 0.12 -0.55 8.53 8.67 3k9fB1 ASN 307 HA -0.00 0.12 0.46 -0.75 4.76 4.58 3k9fB1 THR 308 H 0.00 0.63 -0.73 -0.55 8.28 7.63 3k9fB1 THR 308 HA -0.00 0.03 0.08 -0.75 4.39 3.75 3k9fB1 THR 308 HB 0.01 0.05 -0.05 -0.04 4.32 4.29 3k9fB1 THR 308 HG23 0.00 0.08 -0.02 -0.04 1.22 1.23 3k9fB1 GLU 309 H 0.02 0.15 -0.02 -0.55 8.60 8.20 3k9fB1 GLU 309 HA 0.05 0.09 0.43 -0.75 4.29 4.10 3k9fB1 GLU 309 HB2 0.03 -0.01 0.07 -0.04 2.09 2.13 3k9fB1 GLU 309 HB3 0.05 0.06 -0.00 -0.04 1.99 2.05 3k9fB1 GLU 309 HG2 0.03 -0.05 0.01 -0.04 2.34 2.28 3k9fB1 GLU 309 HG3 0.03 0.04 0.01 -0.04 2.34 2.38 3k9fB1 LEU 310 H 0.03 0.09 -0.23 -0.55 8.37 7.72 3k9fB1 LEU 310 HA 0.06 0.09 0.54 -0.75 4.35 4.28 3k9fB1 VAL 311 H 0.02 0.62 -0.02 -0.55 8.24 8.31 3k9fB1 VAL 311 HA 0.04 0.02 0.35 -0.75 4.13 3.79 3k9fB1 VAL 311 HB -0.01 0.08 -0.03 -0.04 2.12 2.12 3k9fB1 VAL 311 HG13 -0.02 0.02 -0.28 -0.04 0.97 0.65 3k9fB1 VAL 311 HG23 -0.04 -0.01 0.04 -0.04 0.95 0.90 3k9fB1 LEU 312 H 0.01 0.68 -0.04 -0.55 8.37 8.48 3k9fB1 LEU 312 HA -0.11 0.01 0.40 -0.75 4.35 3.89 3k9fB1 LEU 312 HB2 -0.01 0.14 0.11 -0.04 1.64 1.84 3k9fB1 LEU 312 HB3 0.05 0.03 0.05 -0.04 1.64 1.74 3k9fB1 LEU 312 HG -0.16 -0.03 0.00 -0.04 1.64 1.41 3k9fB1 LEU 312 HD13 0.03 -0.01 -0.06 -0.04 0.93 0.85 3k9fB1 LEU 312 HD23 -0.21 -0.00 -0.13 -0.04 0.89 0.50 3k9fB1 ASN 313 H 0.10 0.42 -0.32 -0.55 8.53 8.17 3k9fB1 ASN 313 HA 0.33 -0.02 0.30 -0.75 4.76 4.62 3k9fB1 TYR 314 H 0.21 0.31 -0.32 -0.55 8.29 7.94 3k9fB1 TYR 314 HA 0.22 0.04 0.50 -0.75 4.56 4.56 3k9fB1 TYR 314 HB2 0.05 -0.01 0.10 -0.04 3.06 3.16 3k9fB1 TYR 314 HB3 0.03 0.12 0.14 -0.04 2.98 3.23 3k9fB1 TYR 314 HD2 -0.00 -0.01 -0.15 -0.04 7.15 6.94 3k9fB1 TYR 314 HE2 -0.33 -0.00 -0.06 -0.04 6.85 6.41 3k9fB1 LEU 315 H 0.14 0.50 -0.06 -0.55 8.37 8.40 3k9fB1 LEU 315 HA 0.09 -0.02 0.40 -0.75 4.35 4.06 3k9fB1 LEU 315 HB2 -0.19 0.14 0.12 -0.04 1.64 1.67 3k9fB1 LEU 315 HB3 -0.07 -0.10 -0.02 -0.04 1.64 1.40 3k9fB1 LEU 315 HG 0.10 0.16 0.02 -0.04 1.64 1.88 3k9fB1 LEU 315 HD13 -0.04 -0.02 -0.08 -0.04 0.93 0.74 3k9fB1 LEU 315 HD23 0.15 -0.02 -0.07 -0.04 0.89 0.91 3k9fB1 PHE 316 H -0.10 0.44 -0.18 -0.55 8.34 7.95 3k9fB1 PHE 316 HA -0.02 -0.11 0.19 -0.75 4.62 3.93 3k9fB1 PHE 316 HB2 -0.00 0.14 0.05 -0.04 3.15 3.30 3k9fB1 PHE 316 HB3 -0.03 -0.00 -0.09 -0.04 3.06 2.90 3k9fB1 PHE 316 HD2 0.00 -0.01 -0.18 -0.04 7.28 7.04 3k9fB1 PHE 316 HE2 0.01 -0.01 -0.09 -0.04 7.38 7.25 3k9fB1 PHE 316 HZ 0.01 0.04 -0.06 -0.04 7.32 7.27 3k9fB1 LYS 317 H 0.02 0.24 -0.42 -0.55 8.42 7.71 3k9fB1 LYS 317 HA -0.19 0.05 0.70 -0.75 4.32 4.13 3k9fB1 TYR 318 H -0.17 0.54 0.18 -0.55 8.29 8.29 3k9fB1 TYR 318 HA -0.13 0.09 0.35 -0.75 4.56 4.11 3k9fB1 TYR 318 HB2 -0.54 -0.02 0.04 -0.04 3.06 2.50 3k9fB1 TYR 318 HB3 -0.16 -0.06 0.08 -0.04 2.98 2.79 3k9fB1 TYR 318 HD2 -0.65 0.22 0.11 -0.04 7.15 6.79 3k9fB1 TYR 318 HE2 -0.15 -0.03 0.02 -0.04 6.85 6.65 3k9fB1 THR 319 H -0.01 0.68 0.01 -0.55 8.28 8.41 3k9fB1 THR 319 HA 0.02 0.18 0.89 -0.75 4.39 4.73 3k9fB1 THR 319 HB 0.02 -0.04 0.09 -0.04 4.32 4.35 3k9fB1 THR 319 HG23 0.06 0.04 -0.07 -0.04 1.22 1.20 3k9fB1 ASP 320 H 0.01 0.05 0.08 -0.55 8.40 7.99 3k9fB1 ASP 320 HA 0.01 0.45 0.59 -0.75 4.63 4.93 3k9fB1 ASP 320 HB2 0.00 -0.10 -0.02 -0.04 2.71 2.55 3k9fB1 ASP 320 HB3 0.00 0.02 0.02 -0.04 2.70 2.71 3k9fB1 LEU 321 H 0.01 0.02 -0.32 -0.55 8.37 7.53 3k9fB1 LEU 321 HA 0.03 -0.03 0.40 -0.75 4.35 4.00 3k9fB1 LEU 321 HB2 -0.06 0.07 -0.24 -0.04 1.64 1.37 3k9fB1 LEU 321 HB3 -0.09 -0.00 -0.09 -0.04 1.64 1.41 3k9fB1 LEU 321 HG -0.04 -0.04 -0.06 -0.04 1.64 1.45 3k9fB1 LEU 321 HD13 -0.18 -0.01 -0.10 -0.04 0.93 0.60 3k9fB1 LEU 321 HD23 -0.03 -0.01 -0.06 -0.04 0.89 0.75 3k9fB1 GLN 322 H 0.12 0.35 -0.41 -0.55 8.47 7.99 3k9fB1 GLN 322 HA 0.10 0.22 0.91 -0.75 4.36 4.84 3k9fB1 GLN 322 HB2 0.43 -0.18 0.01 -0.04 2.15 2.37 3k9fB1 GLN 322 HB3 0.16 0.40 0.19 -0.04 2.02 2.73 3k9fB1 GLN 322 HG2 -0.02 0.10 -0.14 -0.04 2.40 2.31 3k9fB1 GLN 322 HG3 -0.07 -0.05 -0.12 -0.04 2.39 2.11 3k9fB1 GLN 322 HE21 -0.10 -0.08 -0.09 -0.04 6.97 6.65 3k9fB1 GLN 322 HE22 -0.06 0.04 -0.13 -0.04 7.69 7.50 3k9fB1 ILE 323 H 0.01 0.60 0.36 -0.55 8.25 8.67 3k9fB1 ILE 323 HA -0.00 0.20 0.89 -0.75 4.18 4.51 3k9fB1 ILE 323 HB 0.00 0.00 0.16 -0.04 1.89 2.01 3k9fB1 ILE 323 HG12 -0.01 0.01 0.01 -0.04 1.49 1.46 3k9fB1 ILE 323 HG13 0.02 -0.06 -0.55 -0.04 1.21 0.58 3k9fB1 ILE 323 HG23 0.00 0.04 -0.13 -0.04 0.93 0.81 3k9fB1 ILE 323 HD13 -0.01 -0.02 -0.12 -0.04 0.88 0.69 3k9fB1 ASN 324 H 0.00 0.16 0.21 -0.55 8.53 8.35 3k9fB1 ASN 324 HA 0.04 0.17 0.99 -0.75 4.76 5.20 3k9fB1 ASN 324 HB2 0.03 -0.03 0.01 -0.04 2.88 2.84 3k9fB1 ASN 324 HB3 0.04 0.14 0.18 -0.04 2.79 3.11 3k9fB1 ASN 324 HD21 -0.02 0.01 -0.06 -0.04 7.03 6.93 3k9fB1 ASN 324 HD22 0.00 -0.02 -0.08 -0.04 7.74 7.60 3k9fB1 TYR 325 H 0.16 0.57 0.32 -0.55 8.29 8.79 3k9fB1 TYR 325 HA -0.01 0.18 0.87 -0.75 4.56 4.84 3k9fB1 TYR 325 HB2 -0.06 0.01 -0.07 -0.04 3.06 2.89 3k9fB1 TYR 325 HB3 0.01 -0.06 0.02 -0.04 2.98 2.91 3k9fB1 TYR 325 HD2 -0.20 -0.04 -0.24 -0.04 7.15 6.62 3k9fB1 TYR 325 HE2 -0.27 0.00 -0.18 -0.04 6.85 6.36 3k9fB1 ASN 326 H -0.61 0.21 0.16 -0.55 8.53 7.74 3k9fB1 ASN 326 HA 0.07 0.39 1.31 -0.75 4.76 5.78 3k9fB1 ASN 326 HB2 -0.14 -0.01 0.02 -0.04 2.88 2.71 3k9fB1 ASN 326 HB3 -0.01 0.04 -0.01 -0.04 2.79 2.76 3k9fB1 ASN 326 HD21 -0.01 -0.02 -0.12 -0.04 7.03 6.84 3k9fB1 ASN 326 HD22 0.01 0.01 -0.09 -0.04 7.74 7.62 3k9fB1 PHE 327 H 0.49 0.44 0.33 -0.55 8.34 9.05 3k9fB1 PHE 327 HA 0.14 0.19 0.68 -0.75 4.62 4.88 3k9fB1 PHE 327 HB2 0.09 -0.20 0.13 -0.04 3.15 3.13 3k9fB1 PHE 327 HB3 0.14 0.14 0.02 -0.04 3.06 3.32 3k9fB1 PHE 327 HD2 0.19 0.09 -0.05 -0.04 7.28 7.47 3k9fB1 PHE 327 HE2 0.18 -0.00 -0.14 -0.04 7.38 7.38 3k9fB1 PHE 327 HZ -0.05 -0.03 -0.08 -0.04 7.32 7.12 3k9fB1 ASN 328 H 0.09 0.55 0.32 -0.55 8.53 8.95 3k9fB1 ASN 328 HA 0.11 0.17 0.58 -0.75 4.76 4.86 3k9fB1 ASN 328 HB2 0.04 -0.00 -0.03 -0.04 2.88 2.85 3k9fB1 ASN 328 HB3 0.03 -0.08 0.16 -0.04 2.79 2.86 3k9fB1 ASN 328 HD21 0.06 -0.05 -0.02 -0.04 7.03 6.98 3k9fB1 ASN 328 HD22 0.03 -0.06 -0.12 -0.04 7.74 7.56 3k9fB1 MET 329 H 0.13 0.53 0.15 -0.55 8.47 8.73 3k9fB1 MET 329 HA 0.09 0.05 0.38 -0.75 4.52 4.29 3k9fB1 MET 329 HB2 0.09 0.32 0.37 -0.04 2.15 2.90 3k9fB1 MET 329 HB3 0.08 -0.05 0.02 -0.04 2.03 2.04 3k9fB1 MET 329 HG2 0.26 0.02 0.03 -0.04 2.63 2.91 3k9fB1 MET 329 HG3 0.25 0.09 0.09 -0.04 2.56 2.95 3k9fB1 MET 329 HE3 0.09 0.02 -0.11 -0.04 2.10 2.06 3k9fB1 VAL 330 H 0.04 0.26 0.36 -0.55 8.24 8.35 3k9fB1 VAL 330 HA 0.01 0.33 1.12 -0.75 4.13 4.83 3k9fB1 VAL 330 HB 0.03 0.01 0.07 -0.04 2.12 2.20 3k9fB1 VAL 330 HG13 -0.04 -0.03 -0.22 -0.04 0.97 0.64 3k9fB1 VAL 330 HG23 0.09 -0.03 -0.21 -0.04 0.95 0.76 3k9fB1 ALA 331 H -0.05 0.56 0.32 -0.55 8.40 8.68 3k9fB1 ALA 331 HA -0.06 0.27 0.75 -0.75 4.34 4.54 3k9fB1 ALA 331 HB3 -0.06 -0.02 -0.19 -0.04 1.41 1.10 3k9fB1 ILE 332 H -0.10 0.64 0.20 -0.55 8.25 8.44 3k9fB1 ILE 332 HA -0.12 0.25 0.82 -0.75 4.18 4.38 3k9fB1 ILE 332 HB -0.12 -0.08 0.03 -0.04 1.89 1.69 3k9fB1 ILE 332 HG12 -0.11 -0.03 -0.38 -0.04 1.49 0.93 3k9fB1 ILE 332 HG13 -0.10 0.15 -0.14 -0.04 1.21 1.08 3k9fB1 ILE 332 HG23 -0.12 -0.03 -0.45 -0.04 0.93 0.29 3k9fB1 ILE 332 HD13 -0.12 0.04 -0.39 -0.04 0.88 0.36 3k9fB1 ASP 333 H -0.10 0.81 0.14 -0.55 8.40 8.70 3k9fB1 ASP 333 HA -0.15 0.04 0.84 -0.75 4.63 4.61 3k9fB1 ASP 333 HB2 -0.08 -0.01 -0.15 -0.04 2.71 2.43 3k9fB1 ASP 333 HB3 -0.06 0.09 0.01 -0.04 2.70 2.69 3k9fB1 ASN 334 H -0.23 0.15 0.11 -0.55 8.53 8.00 3k9fB1 ASN 334 HA -0.43 0.03 0.34 -0.75 4.76 3.94 3k9fB1 ASN 334 HB2 -0.05 -0.03 -0.03 -0.04 2.88 2.73 3k9fB1 ASN 334 HB3 0.01 0.14 0.11 -0.04 2.79 3.01 3k9fB1 ASN 334 HD21 0.11 -0.01 0.02 -0.04 7.03 7.11 3k9fB1 ASN 334 HD22 0.05 0.01 0.02 -0.04 7.74 7.78 3k9fB1 PHE 335 H -0.51 0.05 -0.30 -0.55 8.34 7.03 3k9fB1 PHE 335 HA -0.06 0.01 0.20 -0.75 4.62 4.01 3k9fB1 PHE 335 HB2 -0.03 0.19 -0.02 -0.04 3.15 3.25 3k9fB1 PHE 335 HB3 -0.04 -0.02 0.09 -0.04 3.06 3.05 3k9fB1 PHE 335 HD2 -0.03 0.14 -0.23 -0.04 7.28 7.12 3k9fB1 PHE 335 HE2 -0.02 0.01 -0.05 -0.04 7.38 7.28 3k9fB1 PHE 335 HZ -0.02 0.01 -0.04 -0.04 7.32 7.23 3k9fB1 THR 336 H -0.01 0.51 -0.82 -0.55 8.28 7.40 3k9fB1 THR 336 HA -0.03 0.19 0.99 -0.75 4.39 4.79 3k9fB1 THR 336 HB -0.02 -0.00 0.07 -0.04 4.32 4.33 3k9fB1 THR 336 HG23 0.07 0.03 -0.12 -0.04 1.22 1.15 3k9fB1 PRO 337 HA -0.21 0.23 0.42 -0.51 4.44 4.37 3k9fB1 PRO 337 HB2 -0.94 -0.01 -0.07 -0.04 2.28 1.21 3k9fB1 PRO 337 HB3 -0.70 0.02 -0.01 -0.04 2.02 1.29 3k9fB1 PRO 337 HG2 -0.65 -0.00 0.07 -0.04 2.03 1.41 3k9fB1 PRO 337 HG3 -0.52 0.02 0.05 -0.04 2.03 1.55 3k9fB1 PRO 337 HD2 -0.12 0.08 0.17 -0.04 3.68 3.78 3k9fB1 PRO 337 HD3 -0.13 0.17 0.22 -0.04 3.65 3.86 3k9fB1 ARG 338 H -0.11 0.63 0.43 -0.55 8.46 8.87 3k9fB1 ARG 338 HA -0.03 0.15 0.73 -0.75 4.34 4.44 3k9fB1 ARG 338 HB2 -0.04 0.05 -0.04 -0.04 1.90 1.83 3k9fB1 ARG 338 HB3 -0.04 -0.08 -0.04 -0.04 1.80 1.61 3k9fB1 ARG 338 HG2 0.01 0.01 0.13 -0.04 1.67 1.78 3k9fB1 ARG 338 HG3 -0.00 -0.03 0.08 -0.04 1.67 1.67 3k9fB1 ARG 338 HD2 -0.01 0.03 -0.20 -0.04 3.22 3.00 3k9fB1 ARG 338 HD3 0.00 -0.02 0.01 -0.04 3.22 3.17 3k9fB1 GLN 339 H 0.03 0.13 0.17 -0.55 8.47 8.26 3k9fB1 GLN 339 HA 0.03 0.32 1.05 -0.75 4.36 5.01 3k9fB1 GLN 339 HB2 0.08 -0.06 0.04 -0.04 2.15 2.17 3k9fB1 GLN 339 HB3 0.06 -0.06 0.16 -0.04 2.02 2.13 3k9fB1 GLN 339 HG2 0.05 0.16 -0.09 -0.04 2.40 2.48 3k9fB1 GLN 339 HG3 0.06 0.10 0.00 -0.04 2.39 2.52 3k9fB1 GLN 339 HE21 0.06 -0.06 -0.07 -0.04 6.97 6.86 3k9fB1 GLN 339 HE22 0.09 0.02 -0.07 -0.04 7.69 7.68 3k9fB1 VAL 340 H 0.03 0.75 0.40 -0.55 8.24 8.88 3k9fB1 VAL 340 HA 0.01 0.12 0.98 -0.75 4.13 4.49 3k9fB1 VAL 340 HB -0.01 -0.02 -0.07 -0.04 2.12 1.97 3k9fB1 VAL 340 HG13 -0.01 -0.00 -0.46 -0.04 0.97 0.45 3k9fB1 VAL 340 HG23 -0.00 0.02 -0.18 -0.04 0.95 0.75 3k9fB1 GLY 341 H 0.01 0.10 0.09 -0.55 8.43 8.08 3k9fB1 GLY 341 HA2 0.04 0.19 0.67 -0.51 4.01 4.41 3k9fB1 GLY 341 HA3 0.02 0.25 0.07 -0.51 4.01 3.84 3k9fB1 ILE 342 H -0.03 0.35 0.26 -0.55 8.25 8.28 3k9fB1 ILE 342 HA -0.15 0.03 0.25 -0.75 4.18 3.54 3k9fB1 ILE 342 HB -0.22 0.05 0.17 -0.04 1.89 1.85 3k9fB1 ILE 342 HG12 -0.45 -0.01 -0.01 -0.04 1.49 0.98 3k9fB1 ILE 342 HG13 -0.52 0.00 0.01 -0.04 1.21 0.66 3k9fB1 ILE 342 HG23 -0.17 -0.01 -0.19 -0.04 0.93 0.53 3k9fB1 ILE 342 HD13 -1.72 0.00 -0.06 -0.04 0.88 -0.93 3k9fB1 VAL 343 H -0.03 0.17 -0.17 -0.55 8.24 7.66 3k9fB1 VAL 343 HA -0.02 0.05 0.34 -0.75 4.13 3.75 3k9fB1 VAL 343 HB -0.00 0.02 0.14 -0.04 2.12 2.23 3k9fB1 VAL 343 HG13 0.00 0.01 -0.15 -0.04 0.97 0.79 3k9fB1 VAL 343 HG23 0.00 -0.00 0.01 -0.04 0.95 0.92 3k9fB1 PRO 344 HA -0.01 0.01 0.48 -0.51 4.44 4.42 3k9fB1 PRO 344 HB2 -0.01 0.07 0.01 -0.04 2.28 2.30 3k9fB1 PRO 344 HB3 -0.01 0.01 0.05 -0.04 2.02 2.03 3k9fB1 PRO 344 HG2 -0.00 0.00 0.14 -0.04 2.03 2.13 3k9fB1 PRO 344 HG3 -0.00 0.03 0.09 -0.04 2.03 2.12 3k9fB1 PRO 344 HD2 -0.01 0.14 -0.06 -0.04 3.68 3.71 3k9fB1 PRO 344 HD3 -0.00 0.09 0.11 -0.04 3.65 3.81 3k9fB1 ILE 345 H -0.04 0.44 -0.29 -0.55 8.25 7.82 3k9fB1 ILE 345 HA -0.03 0.01 0.34 -0.75 4.18 3.74 3k9fB1 ILE 345 HB -0.09 0.10 0.02 -0.04 1.89 1.88 3k9fB1 ILE 345 HG12 -0.05 -0.05 -0.13 -0.04 1.49 1.22 3k9fB1 ILE 345 HG13 -0.04 0.12 -0.19 -0.04 1.21 1.06 3k9fB1 ILE 345 HG23 -0.11 0.00 -0.21 -0.04 0.93 0.58 3k9fB1 ILE 345 HD13 -0.06 -0.01 -0.23 -0.04 0.88 0.55 3k9fB1 LEU 346 H -0.05 0.68 -0.02 -0.55 8.37 8.43 3k9fB1 LEU 346 HA 0.02 -0.01 0.48 -0.75 4.35 4.09 3k9fB1 LEU 346 HB2 -0.02 0.12 0.17 -0.04 1.64 1.88 3k9fB1 LEU 346 HB3 0.01 -0.03 -0.04 -0.04 1.64 1.54 3k9fB1 LEU 346 HG -0.10 0.08 0.05 -0.04 1.64 1.62 3k9fB1 LEU 346 HD13 -0.06 -0.02 -0.14 -0.04 0.93 0.67 3k9fB1 LEU 346 HD23 -0.08 -0.02 -0.01 -0.04 0.89 0.74 3k9fB1 SER 347 H 0.01 0.74 -0.02 -0.55 8.46 8.65 3k9fB1 SER 347 HA 0.04 0.04 0.42 -0.75 4.49 4.24 3k9fB1 SER 347 HB2 0.02 -0.02 0.08 -0.04 3.95 3.98 3k9fB1 SER 347 HB3 0.01 0.16 0.12 -0.04 3.93 4.18 3k9fB1 SER 348 H 0.01 0.71 -0.03 -0.55 8.46 8.60 3k9fB1 SER 348 HA 0.01 -0.02 0.51 -0.75 4.49 4.23 3k9fB1 SER 348 HB2 -0.03 -0.11 -0.00 -0.04 3.95 3.76 3k9fB1 SER 348 HB3 -0.02 -0.04 0.08 -0.04 3.93 3.91 3k9fB1 TYR 349 H 0.12 0.49 -0.27 -0.55 8.29 8.08 3k9fB1 TYR 349 HA -0.02 0.02 0.56 -0.75 4.56 4.37 3k9fB1 TYR 349 HB2 -0.06 0.06 0.16 -0.04 3.06 3.18 3k9fB1 TYR 349 HB3 -0.03 0.12 0.19 -0.04 2.98 3.22 3k9fB1 TYR 349 HD2 -0.03 0.09 -0.00 -0.04 7.15 7.16 3k9fB1 TYR 349 HE2 -0.03 0.11 -0.11 -0.04 6.85 6.79 3k9fB1 ILE 350 H 0.11 0.62 -0.01 -0.55 8.25 8.42 3k9fB1 ILE 350 HA -0.13 0.02 0.59 -0.75 4.18 3.91 3k9fB1 ILE 350 HB 0.06 0.16 0.24 -0.04 1.89 2.31 3k9fB1 ILE 350 HG12 0.09 -0.05 0.01 -0.04 1.49 1.50 3k9fB1 ILE 350 HG13 0.15 -0.03 0.04 -0.04 1.21 1.33 3k9fB1 ILE 350 HG23 0.13 -0.02 -0.14 -0.04 0.93 0.86 3k9fB1 ILE 350 HD13 0.07 0.06 -0.11 -0.04 0.88 0.85 3k9fB1 ALA 351 H 0.01 0.68 -0.04 -0.55 8.40 8.51 3k9fB1 ALA 351 HA -0.01 -0.02 0.37 -0.75 4.34 3.93 3k9fB1 ALA 351 HB3 0.01 0.01 0.10 -0.04 1.41 1.49 3k9fB1 HIS 352 H 0.00 0.47 -0.38 -0.55 8.41 7.95 3k9fB1 HIS 352 HA -0.11 -0.03 0.63 -0.75 4.63 4.36 3k9fB1 HIS 352 HB2 -0.11 0.00 0.16 -0.04 3.26 3.28 3k9fB1 HIS 352 HB3 -0.23 0.23 0.21 -0.04 3.20 3.37 3k9fB1 HIS 352 HD2 -0.17 0.16 -0.09 -0.04 6.97 6.83 3k9fB1 HIS 352 HE1 -0.10 -0.07 -0.14 -0.04 7.75 7.40 3k9fB1 ARG 353 H -0.30 0.57 0.01 -0.55 8.46 8.19 3k9fB1 ARG 353 HA -0.33 0.08 0.52 -0.75 4.34 3.86 3k9fB1 ARG 353 HB2 -0.26 0.06 0.16 -0.04 1.90 1.82 3k9fB1 ARG 353 HB3 -0.20 -0.10 0.07 -0.04 1.80 1.53 3k9fB1 ARG 353 HG2 -0.90 0.21 0.13 -0.04 1.67 1.08 3k9fB1 ARG 353 HG3 -0.49 -0.08 0.01 -0.04 1.67 1.08 3k9fB1 ARG 353 HD2 -0.23 0.10 0.05 -0.04 3.22 3.10 3k9fB1 ARG 353 HD3 -0.13 0.18 0.05 -0.04 3.22 3.28 3k9fB1 ARG 354 H -0.17 0.52 -0.31 -0.55 8.46 7.95 3k9fB1 ARG 354 HA -0.23 -0.00 0.42 -0.75 4.34 3.77 3k9fB1 ARG 354 HB2 -0.18 0.06 0.10 -0.04 1.90 1.83 3k9fB1 ARG 354 HB3 -0.12 0.19 0.19 -0.04 1.80 2.02 3k9fB1 ARG 354 HG2 -0.18 -0.04 -0.12 -0.04 1.67 1.29 3k9fB1 ARG 354 HG3 -0.40 -0.03 0.03 -0.04 1.67 1.23 3k9fB1 ARG 354 HD2 -0.06 -0.00 0.02 -0.04 3.22 3.13 3k9fB1 ARG 354 HD3 -0.07 0.03 0.02 -0.04 3.22 3.17 3k9fB1 GLU 355 H -0.15 0.48 -0.05 -0.55 8.60 8.34 3k9fB1 GLU 355 HA -0.10 -0.04 0.38 -0.75 4.29 3.77 3k9fB1 GLU 355 HB2 -0.13 0.14 0.24 -0.04 2.09 2.29 3k9fB1 GLU 355 HB3 -0.10 -0.02 0.02 -0.04 1.99 1.86 3k9fB1 GLU 355 HG2 -0.06 0.08 0.11 -0.04 2.34 2.44 3k9fB1 GLU 355 HG3 -0.04 -0.05 0.05 -0.04 2.34 2.27 3k9fB1 VAL 356 H -0.29 0.57 -0.19 -0.55 8.24 7.77 3k9fB1 VAL 356 HA -0.17 0.17 0.55 -0.75 4.13 3.93 3k9fB1 VAL 356 HB -0.31 0.05 0.24 -0.04 2.12 2.06 3k9fB1 VAL 356 HG13 -0.13 -0.02 -0.15 -0.04 0.97 0.63 3k9fB1 VAL 356 HG23 -0.46 0.07 0.07 -0.04 0.95 0.59 3k9fB1 ILE 357 H -0.16 0.82 0.03 -0.55 8.25 8.39 3k9fB1 ILE 357 HA -0.08 -0.04 0.46 -0.75 4.18 3.77 3k9fB1 ILE 357 HB -0.14 0.22 0.21 -0.04 1.89 2.14 3k9fB1 ILE 357 HG12 -0.06 -0.10 0.02 -0.04 1.49 1.32 3k9fB1 ILE 357 HG13 -0.09 0.00 0.05 -0.04 1.21 1.13 3k9fB1 ILE 357 HG23 -0.09 -0.03 -0.17 -0.04 0.93 0.60 3k9fB1 ILE 357 HD13 -0.09 0.01 -0.05 -0.04 0.88 0.71 3k9fB1 LEU 358 H -0.11 0.73 -0.12 -0.55 8.37 8.32 3k9fB1 LEU 358 HA -0.06 -0.00 0.58 -0.75 4.35 4.11 3k9fB1 LEU 358 HB2 -0.08 0.11 0.16 -0.04 1.64 1.80 3k9fB1 LEU 358 HB3 -0.05 -0.09 0.01 -0.04 1.64 1.47 3k9fB1 LEU 358 HG -0.12 0.13 0.05 -0.04 1.64 1.66 3k9fB1 LEU 358 HD13 -0.08 -0.03 -0.02 -0.04 0.93 0.76 3k9fB1 LEU 358 HD23 -0.07 -0.01 0.04 -0.04 0.89 0.81 3k9fB1 ALA 359 H -0.07 0.69 -0.04 -0.55 8.40 8.43 3k9fB1 ALA 359 HA -0.00 -0.08 0.38 -0.75 4.34 3.88 3k9fB1 ALA 359 HB3 -0.04 0.07 0.20 -0.04 1.41 1.61 3k9fB1 ARG 360 H -0.05 0.76 -0.04 -0.55 8.46 8.58 3k9fB1 ARG 360 HA -0.01 0.10 0.44 -0.75 4.34 4.12 3k9fB1 ARG 360 HB2 -0.05 0.10 0.11 -0.04 1.90 2.02 3k9fB1 ARG 360 HB3 -0.03 0.08 0.15 -0.04 1.80 1.96 3k9fB1 ARG 360 HG2 0.02 -0.10 -0.07 -0.04 1.67 1.49 3k9fB1 ARG 360 HG3 -0.03 -0.04 0.02 -0.04 1.67 1.58 3k9fB1 ARG 360 HD2 -0.01 0.06 -0.04 -0.04 3.22 3.19 3k9fB1 ARG 360 HD3 0.00 -0.08 -0.06 -0.04 3.22 3.04 3k9fB1 SER 361 H -0.01 0.53 -0.29 -0.55 8.46 8.14 3k9fB1 SER 361 HA 0.02 -0.05 0.45 -0.75 4.49 4.16 3k9fB1 SER 361 HB2 -0.02 0.14 0.20 -0.04 3.95 4.24 3k9fB1 SER 361 HB3 -0.01 -0.11 0.07 -0.04 3.93 3.84 3k9fB1 ARG 362 H 0.01 0.74 0.05 -0.55 8.46 8.71 3k9fB1 ARG 362 HA 0.00 -0.08 0.45 -0.75 4.34 3.95 3k9fB1 ARG 362 HB2 0.03 0.18 0.18 -0.04 1.90 2.25 3k9fB1 ARG 362 HB3 0.02 -0.08 0.03 -0.04 1.80 1.72 3k9fB1 ARG 362 HG2 -0.01 -0.10 0.05 -0.04 1.67 1.57 3k9fB1 ARG 362 HG3 -0.01 0.17 0.07 -0.04 1.67 1.87 3k9fB1 ARG 362 HD2 0.00 -0.01 -0.01 -0.04 3.22 3.16 3k9fB1 ARG 362 HD3 -0.01 -0.06 -0.01 -0.04 3.22 3.10 3k9fB1 PHE 363 H 0.17 0.72 -0.26 -0.55 8.34 8.41 3k9fB1 PHE 363 HA -0.02 -0.05 0.50 -0.75 4.62 4.29 3k9fB1 PHE 363 HB2 -0.03 0.20 0.12 -0.04 3.15 3.40 3k9fB1 PHE 363 HB3 -0.03 0.18 0.23 -0.04 3.06 3.40 3k9fB1 PHE 363 HD2 -0.03 0.02 -0.10 -0.04 7.28 7.13 3k9fB1 PHE 363 HE2 -0.03 -0.04 -0.04 -0.04 7.38 7.23 3k9fB1 PHE 363 HZ -0.03 -0.02 0.02 -0.04 7.32 7.25 3k9fB1 ASP 364 H 0.17 0.69 0.07 -0.55 8.40 8.78 3k9fB1 ASP 364 HA -0.02 -0.03 0.45 -0.75 4.63 4.28 3k9fB1 ASP 364 HB2 0.06 0.12 0.21 -0.04 2.71 3.06 3k9fB1 ASP 364 HB3 0.03 -0.08 0.01 -0.04 2.70 2.62 3k9fB1 LYS 365 H -0.01 0.85 -0.09 -0.55 8.42 8.61 3k9fB1 LYS 365 HA -0.03 -0.03 0.49 -0.75 4.32 3.99 3k9fB1 LYS 365 HB2 -0.02 0.08 0.07 -0.04 1.87 1.96 3k9fB1 LYS 365 HB3 -0.03 0.11 0.16 -0.04 1.79 1.99 3k9fB1 LYS 365 HG2 -0.03 -0.02 -0.09 -0.04 1.46 1.28 3k9fB1 LYS 365 HG3 -0.02 -0.11 0.04 -0.04 1.46 1.33 3k9fB1 LYS 365 HD2 -0.02 0.00 0.01 -0.04 1.69 1.65 3k9fB1 LYS 365 HD3 -0.01 0.02 -0.11 -0.04 1.68 1.53 3k9fB1 LYS 365 HE2 -0.01 0.00 -0.04 -0.04 2.99 2.89 3k9fB1 LYS 365 HE3 -0.02 0.04 -0.03 -0.04 2.99 2.94 3k9fB1 GLU 366 H -0.09 0.64 -0.03 -0.55 8.60 8.58 3k9fB1 GLU 366 HA -0.08 -0.07 0.34 -0.75 4.29 3.73 3k9fB1 LYS 367 H -0.28 0.63 -0.15 -0.55 8.42 8.07 3k9fB1 LYS 367 HA -0.18 -0.04 0.39 -0.75 4.32 3.74 3k9fB1 LYS 367 HB2 -0.46 0.12 0.13 -0.04 1.87 1.62 3k9fB1 LYS 367 HB3 -0.16 0.13 0.12 -0.04 1.79 1.84 3k9fB1 LYS 367 HG2 -0.08 -0.06 -0.08 -0.04 1.46 1.20 3k9fB1 LYS 367 HG3 -0.14 -0.05 0.06 -0.04 1.46 1.29 3k9fB1 LYS 367 HD2 -0.11 0.04 -0.00 -0.04 1.69 1.57 3k9fB1 LYS 367 HD3 -0.03 0.02 -0.00 -0.04 1.68 1.62 3k9fB1 LYS 367 HE2 -0.01 -0.04 -0.02 -0.04 2.99 2.88 3k9fB1 LYS 367 HE3 0.00 -0.01 -0.00 -0.04 2.99 2.94 3k9fB1 ALA 368 H -0.08 0.56 -0.24 -0.55 8.40 8.09 3k9fB1 ALA 368 HA -0.03 -0.03 0.53 -0.75 4.34 4.06 3k9fB1 ALA 368 HB3 -0.03 0.03 0.15 -0.04 1.41 1.53 3k9fB1 GLU 369 H -0.04 0.73 0.10 -0.55 8.60 8.85 3k9fB1 GLU 369 HA -0.00 -0.03 0.47 -0.75 4.29 3.97 3k9fB1 GLU 369 HB2 -0.04 0.10 0.07 -0.04 2.09 2.18 3k9fB1 GLU 369 HB3 -0.02 -0.06 0.04 -0.04 1.99 1.90 3k9fB1 GLU 369 HG2 -0.02 -0.05 0.02 -0.04 2.34 2.25 3k9fB1 GLU 369 HG3 -0.03 0.06 0.06 -0.04 2.34 2.39 3k9fB1 LYS 370 H -0.04 0.68 -0.24 -0.55 8.42 8.26 3k9fB1 LYS 370 HA 0.02 -0.03 0.54 -0.75 4.32 4.09 3k9fB1 LYS 370 HB2 -0.06 0.22 0.14 -0.04 1.87 2.14 3k9fB1 LYS 370 HB3 -0.04 0.10 0.10 -0.04 1.79 1.92 3k9fB1 LYS 370 HG2 -0.01 -0.02 -0.05 -0.04 1.46 1.34 3k9fB1 LYS 370 HG3 -0.00 -0.10 0.06 -0.04 1.46 1.38 3k9fB1 ARG 371 H -0.02 0.60 0.00 -0.55 8.46 8.49 3k9fB1 ARG 371 HA 0.00 -0.01 0.51 -0.75 4.34 4.09 3k9fB1 ARG 371 HB2 -0.02 0.04 0.15 -0.04 1.90 2.03 3k9fB1 ARG 371 HB3 -0.01 0.12 0.20 -0.04 1.80 2.06 3k9fB1 ARG 371 HG2 -0.01 0.01 -0.01 -0.04 1.67 1.62 3k9fB1 ARG 371 HG3 -0.01 -0.05 -0.20 -0.04 1.67 1.38 3k9fB1 ARG 371 HD2 -0.01 -0.06 0.10 -0.04 3.22 3.21 3k9fB1 ARG 371 HD3 -0.01 0.03 0.03 -0.04 3.22 3.23 3k9fB1 LEU 372 H 0.01 0.69 -0.13 -0.55 8.37 8.39 3k9fB1 LEU 372 HA 0.01 -0.00 0.42 -0.75 4.35 4.02 3k9fB1 LEU 372 HB2 0.01 0.21 0.16 -0.04 1.64 1.99 3k9fB1 LEU 372 HB3 0.04 0.07 0.10 -0.04 1.64 1.81 3k9fB1 LEU 372 HG 0.01 -0.01 -0.02 -0.04 1.64 1.57 3k9fB1 LEU 372 HD13 0.02 -0.00 -0.03 -0.04 0.93 0.87 3k9fB1 LEU 372 HD23 0.01 -0.02 0.01 -0.04 0.89 0.85 3k9fB1 HIS 373 H 0.12 0.67 -0.13 -0.55 8.41 8.52 3k9fB1 HIS 373 HA 0.01 -0.02 0.32 -0.75 4.63 4.18 3k9fB1 HIS 373 HB2 -0.01 0.09 0.17 -0.04 3.26 3.48 3k9fB1 HIS 373 HB3 -0.01 0.19 0.21 -0.04 3.20 3.55 3k9fB1 HIS 373 HD2 0.01 -0.00 -0.10 -0.04 6.97 6.83 3k9fB1 HIS 373 HE1 0.02 0.04 0.03 -0.04 7.75 7.80 3k9fB1 ILE 374 H 0.04 0.47 -0.32 -0.55 8.25 7.89 3k9fB1 ILE 374 HA -0.10 -0.03 0.45 -0.75 4.18 3.74 3k9fB1 ILE 374 HB -0.00 0.15 0.15 -0.04 1.89 2.15 3k9fB1 ILE 374 HG12 -0.01 -0.03 -0.04 -0.04 1.49 1.36 3k9fB1 ILE 374 HG13 0.05 0.01 -0.03 -0.04 1.21 1.20 3k9fB1 ILE 374 HG23 -0.04 -0.01 -0.20 -0.04 0.93 0.63 3k9fB1 ILE 374 HD13 0.00 -0.00 -0.05 -0.04 0.88 0.79 3k9fB1 VAL 375 H -0.01 0.62 -0.08 -0.55 8.24 8.21 3k9fB1 VAL 375 HA -0.02 -0.02 0.40 -0.75 4.13 3.73 3k9fB1 VAL 375 HB -0.01 0.10 0.19 -0.04 2.12 2.36 3k9fB1 VAL 375 HG13 -0.01 -0.03 -0.13 -0.04 0.97 0.77 3k9fB1 VAL 375 HG23 -0.01 0.04 0.03 -0.04 0.95 0.97 3k9fB1 GLU 376 H -0.02 0.76 -0.10 -0.55 8.60 8.70 3k9fB1 GLU 376 HA -0.01 -0.01 0.45 -0.75 4.29 3.97 3k9fB1 GLU 376 HB2 -0.05 0.10 0.09 -0.04 2.09 2.19 3k9fB1 GLU 376 HB3 -0.01 -0.05 0.05 -0.04 1.99 1.94 3k9fB1 GLU 376 HG2 0.01 -0.07 0.01 -0.04 2.34 2.25 3k9fB1 GLU 376 HG3 0.00 0.38 0.02 -0.04 2.34 2.71 3k9fB1 GLY 377 H -0.08 0.44 -0.20 -0.55 8.43 8.04 3k9fB1 GLY 377 HA2 0.17 -0.01 0.42 -0.51 4.01 4.07 3k9fB1 GLY 377 HA3 0.02 0.05 0.35 -0.51 4.01 3.93 3k9fB1 LEU 378 H -0.03 0.56 -0.06 -0.55 8.37 8.30 3k9fB1 LEU 378 HA -0.05 -0.01 0.39 -0.75 4.35 3.92 3k9fB1 LEU 378 HB2 -0.03 0.09 0.10 -0.04 1.64 1.76 3k9fB1 LEU 378 HB3 -0.04 -0.04 0.01 -0.04 1.64 1.52 3k9fB1 LEU 378 HG -0.05 0.26 0.04 -0.04 1.64 1.84 3k9fB1 LEU 378 HD13 -0.04 -0.02 -0.06 -0.04 0.93 0.77 3k9fB1 LEU 378 HD23 -0.09 -0.01 -0.06 -0.04 0.89 0.68 3k9fB1 ILE 379 H 0.00 0.53 -0.29 -0.55 8.25 7.94 3k9fB1 ILE 379 HA -0.00 -0.04 0.44 -0.75 4.18 3.82 3k9fB1 ILE 379 HB 0.00 0.19 0.23 -0.04 1.89 2.27 3k9fB1 ILE 379 HG12 -0.01 -0.06 0.08 -0.04 1.49 1.47 3k9fB1 ILE 379 HG13 -0.01 -0.02 0.02 -0.04 1.21 1.16 3k9fB1 ILE 379 HG23 -0.00 -0.03 -0.06 -0.04 0.93 0.80 3k9fB1 ILE 379 HD13 -0.00 -0.01 -0.16 -0.04 0.88 0.66 3k9fB1 ARG 380 H 0.05 0.49 -0.07 -0.55 8.46 8.37 3k9fB1 ARG 380 HA 0.01 -0.01 0.39 -0.75 4.34 3.98 3k9fB1 ARG 380 HB2 0.13 0.15 0.20 -0.04 1.90 2.34 3k9fB1 ARG 380 HB3 0.08 -0.01 -0.07 -0.04 1.80 1.77 3k9fB1 ARG 380 HG2 -0.02 -0.06 0.05 -0.04 1.67 1.60 3k9fB1 ARG 380 HG3 -0.03 0.02 0.03 -0.04 1.67 1.64 3k9fB1 ARG 380 HD2 -0.14 -0.01 -0.02 -0.04 3.22 3.01 3k9fB1 ARG 380 HD3 -0.11 -0.02 -0.00 -0.04 3.22 3.04 3k9fB1 VAL 381 H 0.11 0.61 -0.09 -0.55 8.24 8.31 3k9fB1 VAL 381 HA 0.07 -0.02 0.24 -0.75 4.13 3.67 3k9fB1 VAL 381 HB -0.05 0.15 0.10 -0.04 2.12 2.28 3k9fB1 VAL 381 HG13 -0.13 -0.03 -0.12 -0.04 0.97 0.65 3k9fB1 VAL 381 HG23 -0.21 0.16 -0.02 -0.04 0.95 0.83 3k9fB1 ILE 382 H -0.01 0.49 -0.38 -0.55 8.25 7.80 3k9fB1 ILE 382 HA -0.03 -0.03 0.37 -0.75 4.18 3.74 3k9fB1 ILE 382 HB -0.01 0.30 0.19 -0.04 1.89 2.32 3k9fB1 ILE 382 HG12 -0.02 -0.06 0.05 -0.04 1.49 1.42 3k9fB1 ILE 382 HG13 -0.03 0.11 0.05 -0.04 1.21 1.29 3k9fB1 ILE 382 HG23 -0.01 -0.04 -0.08 -0.04 0.93 0.75 3k9fB1 ILE 382 HD13 -0.02 -0.01 -0.22 -0.04 0.88 0.59 3k9fB1 SER 383 H -0.01 0.43 -0.13 -0.55 8.46 8.20 3k9fB1 SER 383 HA -0.01 0.01 0.52 -0.75 4.49 4.25 3k9fB1 SER 383 HB2 -0.01 -0.07 0.15 -0.04 3.95 3.98 3k9fB1 SER 383 HB3 -0.01 0.00 0.17 -0.04 3.93 4.05 3k9fB1 ILE 384 H -0.04 0.52 -0.38 -0.55 8.25 7.80 3k9fB1 ILE 384 HA -0.04 0.15 0.93 -0.75 4.18 4.47 3k9fB1 ILE 384 HB -0.21 -0.11 0.17 -0.04 1.89 1.69 3k9fB1 ILE 384 HG12 -0.08 0.20 -0.03 -0.04 1.49 1.53 3k9fB1 ILE 384 HG13 -0.21 -0.08 -0.13 -0.04 1.21 0.74 3k9fB1 ILE 384 HG23 -0.05 0.01 -0.17 -0.04 0.93 0.68 3k9fB1 ILE 384 HD13 -0.44 -0.01 -0.07 -0.04 0.88 0.32 3k9fB1 LEU 385 H -0.04 0.40 -0.10 -0.55 8.37 8.09 3k9fB1 LEU 385 HA -0.07 0.10 0.29 -0.75 4.35 3.91 3k9fB1 LEU 385 HB2 -0.03 0.28 0.25 -0.04 1.64 2.10 3k9fB1 LEU 385 HB3 -0.03 -0.06 0.05 -0.04 1.64 1.56 3k9fB1 LEU 385 HG -0.04 0.02 -0.00 -0.04 1.64 1.58 3k9fB1 LEU 385 HD13 -0.03 -0.00 -0.02 -0.04 0.93 0.84 3k9fB1 LEU 385 HD23 -0.06 -0.01 -0.03 -0.04 0.89 0.75 3k9fB1 ASP 386 H -0.02 0.16 -0.12 -0.55 8.40 7.87 3k9fB1 ASP 386 HA -0.01 0.06 0.38 -0.75 4.63 4.30 3k9fB1 ASP 386 HB2 -0.00 -0.00 0.05 -0.04 2.71 2.72 3k9fB1 ASP 386 HB3 -0.00 0.03 0.02 -0.04 2.70 2.71 3k9fB1 GLU 387 H -0.01 0.17 -0.21 -0.55 8.60 8.00 3k9fB1 GLU 387 HA 0.04 0.03 0.45 -0.75 4.29 4.06 3k9fB1 GLU 387 HB2 -0.02 0.17 0.11 -0.04 2.09 2.31 3k9fB1 GLU 387 HB3 0.16 -0.01 0.01 -0.04 1.99 2.12 3k9fB1 GLU 387 HG2 0.11 0.04 0.03 -0.04 2.34 2.47 3k9fB1 GLU 387 HG3 0.05 -0.03 0.02 -0.04 2.34 2.35 3k9fB1 VAL 388 H -0.07 0.57 -0.10 -0.55 8.24 8.09 3k9fB1 VAL 388 HA -0.00 0.01 0.41 -0.75 4.13 3.79 3k9fB1 VAL 388 HB -0.11 0.11 0.09 -0.04 2.12 2.17 3k9fB1 VAL 388 HG13 -0.11 -0.01 -0.18 -0.04 0.97 0.63 3k9fB1 VAL 388 HG23 -0.23 -0.01 -0.02 -0.04 0.95 0.65 3k9fB1 ILE 389 H -0.03 0.75 -0.02 -0.55 8.25 8.40 3k9fB1 ILE 389 HA -0.03 0.03 0.43 -0.75 4.18 3.86 3k9fB1 ILE 389 HB -0.02 0.09 0.15 -0.04 1.89 2.08 3k9fB1 ILE 389 HG12 -0.03 -0.02 0.00 -0.04 1.49 1.40 3k9fB1 ILE 389 HG13 -0.04 -0.01 -0.00 -0.04 1.21 1.12 3k9fB1 ILE 389 HG23 -0.01 -0.01 -0.14 -0.04 0.93 0.72 3k9fB1 ILE 389 HD13 -0.03 -0.01 -0.09 -0.04 0.88 0.71 3k9fB1 ALA 390 H 0.01 0.51 -0.21 -0.55 8.40 8.15 3k9fB1 ALA 390 HA 0.01 -0.01 0.36 -0.75 4.34 3.95 3k9fB1 ALA 390 HB3 0.02 0.03 0.12 -0.04 1.41 1.55 3k9fB1 LEU 391 H 0.05 0.70 -0.08 -0.55 8.37 8.49 3k9fB1 LEU 391 HA 0.05 -0.01 0.36 -0.75 4.35 3.99 3k9fB1 LEU 391 HB2 0.13 -0.01 0.08 -0.04 1.64 1.80 3k9fB1 LEU 391 HB3 0.10 0.10 0.15 -0.04 1.64 1.95 3k9fB1 LEU 391 HG 0.06 -0.05 -0.04 -0.04 1.64 1.57 3k9fB1 LEU 391 HD13 0.17 -0.02 -0.16 -0.04 0.93 0.88 3k9fB1 LEU 391 HD23 0.06 0.01 -0.38 -0.04 0.89 0.54 3k9fB1 ILE 392 H 0.01 0.58 -0.22 -0.55 8.25 8.08 3k9fB1 ILE 392 HA 0.01 -0.08 0.46 -0.75 4.18 3.81 3k9fB1 ILE 392 HB -0.02 0.13 0.16 -0.04 1.89 2.13 3k9fB1 ILE 392 HG12 -0.02 -0.12 -0.01 -0.04 1.49 1.31 3k9fB1 ILE 392 HG13 -0.01 0.08 0.05 -0.04 1.21 1.28 3k9fB1 ILE 392 HG23 -0.02 -0.02 -0.12 -0.04 0.93 0.73 3k9fB1 ILE 392 HD13 -0.06 -0.01 -0.11 -0.04 0.88 0.65 3k9fB1 ARG 393 H 0.00 0.61 -0.03 -0.55 8.46 8.48 3k9fB1 ARG 393 HA -0.00 -0.02 0.43 -0.75 4.34 3.99 3k9fB1 ARG 393 HB2 0.00 0.09 0.12 -0.04 1.90 2.07 3k9fB1 ARG 393 HB3 0.00 -0.07 0.02 -0.04 1.80 1.71 3k9fB1 ARG 393 HG2 -0.00 -0.06 0.03 -0.04 1.67 1.59 3k9fB1 ARG 393 HG3 -0.00 0.18 0.06 -0.04 1.67 1.87 3k9fB1 ARG 393 HD2 -0.00 -0.06 -0.04 -0.04 3.22 3.08 3k9fB1 ARG 393 HD3 -0.00 -0.02 -0.06 -0.04 3.22 3.10 3k9fB1 ALA 394 H 0.01 0.50 -0.30 -0.55 8.40 8.07 3k9fB1 ALA 394 HA 0.01 0.01 0.59 -0.75 4.34 4.20 3k9fB1 ALA 394 HB3 0.01 -0.02 0.09 -0.04 1.41 1.45 3k9fB1 SER 395 H 0.01 0.36 -0.31 -0.55 8.46 7.97 3k9fB1 SER 395 HA 0.01 0.04 0.44 -0.75 4.49 4.22 3k9fB1 SER 395 HB2 0.00 0.11 0.08 -0.04 3.95 4.10 3k9fB1 SER 395 HB3 0.01 -0.36 0.01 -0.04 3.93 3.55 3k9fB1 GLU 396 H 0.00 -0.09 0.15 -0.55 8.60 8.12 3k9fB1 GLU 396 HA 0.00 0.31 0.80 -0.75 4.29 4.65 3k9fB1 ASN 397 H 0.00 0.13 0.18 -0.55 8.53 8.29 3k9fB1 ASN 397 HA -0.00 0.22 0.46 -0.75 4.76 4.68 3k9fB1 ASN 397 HB2 -0.00 -0.12 0.16 -0.04 2.88 2.88 3k9fB1 ASN 397 HB3 0.00 0.31 -0.00 -0.04 2.79 3.06 3k9fB1 ASN 397 HD21 0.00 0.02 -0.09 -0.04 7.03 6.92 3k9fB1 ASN 397 HD22 0.00 0.19 -0.17 -0.04 7.74 7.72 3k9fB1 LYS 398 H -0.00 0.21 0.14 -0.55 8.42 8.22 3k9fB1 LYS 398 HA -0.01 0.17 0.41 -0.75 4.32 4.14 3k9fB1 LYS 398 HB2 -0.01 0.10 0.13 -0.04 1.87 2.05 3k9fB1 LYS 398 HB3 -0.00 -0.07 0.17 -0.04 1.79 1.84 3k9fB1 LYS 398 HG2 -0.01 -0.03 -0.13 -0.04 1.46 1.26 3k9fB1 LYS 398 HG3 -0.01 -0.01 -0.06 -0.04 1.46 1.34 3k9fB1 LYS 398 HD2 -0.02 0.07 -0.08 -0.04 1.69 1.63 3k9fB1 LYS 398 HD3 -0.01 0.03 -0.00 -0.04 1.68 1.65 3k9fB1 LYS 398 HE2 -0.01 0.02 -0.01 -0.04 2.99 2.96 3k9fB1 LYS 398 HE3 -0.01 -0.06 -0.02 -0.04 2.99 2.87 3k9fB1 ALA 399 H -0.00 0.12 -0.03 -0.55 8.40 7.94 3k9fB1 ALA 399 HA 0.00 0.09 0.33 -0.75 4.34 4.01 3k9fB1 ALA 399 HB3 0.00 0.02 0.04 -0.04 1.41 1.44 3k9fB1 ASP 400 H 0.00 0.05 -0.24 -0.55 8.40 7.67 3k9fB1 ASP 400 HA 0.01 0.08 0.52 -0.75 4.63 4.49 3k9fB1 ASP 400 HB2 0.00 0.04 0.10 -0.04 2.71 2.81 3k9fB1 ASP 400 HB3 0.00 -0.22 0.16 -0.04 2.70 2.61 3k9fB1 ALA 401 H 0.00 0.54 -0.08 -0.55 8.40 8.31 3k9fB1 ALA 401 HA 0.01 0.05 0.46 -0.75 4.34 4.12 3k9fB1 ALA 401 HB3 -0.00 0.05 0.13 -0.04 1.41 1.54 3k9fB1 LYS 402 H 0.00 0.58 -0.06 -0.55 8.42 8.39 3k9fB1 LYS 402 HA 0.00 0.00 0.37 -0.75 4.32 3.94 3k9fB1 LYS 402 HB2 0.01 0.13 0.14 -0.04 1.87 2.10 3k9fB1 LYS 402 HB3 0.01 -0.07 -0.04 -0.04 1.79 1.65 3k9fB1 LYS 402 HG2 -0.02 -0.02 -0.20 -0.04 1.46 1.18 3k9fB1 LYS 402 HG3 -0.01 0.15 -0.01 -0.04 1.46 1.55 3k9fB1 LYS 402 HD2 -0.01 0.01 -0.13 -0.04 1.69 1.52 3k9fB1 LYS 402 HD3 -0.00 -0.06 -0.13 -0.04 1.68 1.44 3k9fB1 LYS 402 HE2 0.01 -0.02 -0.06 -0.04 2.99 2.88 3k9fB1 LYS 402 HE3 -0.01 -0.03 -0.06 -0.04 2.99 2.86 3k9fB1 GLU 403 H 0.02 0.49 -0.15 -0.55 8.60 8.41 3k9fB1 GLU 403 HA 0.03 -0.01 0.39 -0.75 4.29 3.94 3k9fB1 GLU 403 HB2 0.01 -0.02 0.11 -0.04 2.09 2.15 3k9fB1 GLU 403 HB3 0.01 0.10 0.19 -0.04 1.99 2.25 3k9fB1 GLU 403 HG2 0.01 -0.01 -0.01 -0.04 2.34 2.29 3k9fB1 GLU 403 HG3 0.01 0.02 -0.25 -0.04 2.34 2.08 3k9fB1 ASN 404 H 0.03 0.61 -0.11 -0.55 8.53 8.51 3k9fB1 ASN 404 HA 0.02 -0.03 0.48 -0.75 4.76 4.48 3k9fB1 ASN 404 HB2 0.04 0.14 0.14 -0.04 2.88 3.16 3k9fB1 ASN 404 HB3 0.04 -0.04 -0.00 -0.04 2.79 2.75 3k9fB1 ASN 404 HD21 0.01 -0.07 -0.05 -0.04 7.03 6.89 3k9fB1 ASN 404 HD22 0.02 0.06 -0.06 -0.04 7.74 7.73 3k9fB1 LEU 405 H 0.07 0.59 -0.12 -0.55 8.37 8.36 3k9fB1 LEU 405 HA 0.30 0.01 0.47 -0.75 4.35 4.38 3k9fB1 LEU 405 HB2 0.07 0.12 0.10 -0.04 1.64 1.89 3k9fB1 LEU 405 HB3 0.16 -0.08 -0.06 -0.04 1.64 1.62 3k9fB1 LEU 405 HG 0.06 0.06 -0.00 -0.04 1.64 1.72 3k9fB1 LEU 405 HD13 -0.08 -0.02 -0.09 -0.04 0.93 0.70 3k9fB1 LEU 405 HD23 -0.02 -0.01 -0.02 -0.04 0.89 0.80 3k9fB1 LYS 406 H 0.10 0.49 -0.22 -0.55 8.42 8.24 3k9fB1 LYS 406 HA 0.15 0.12 0.45 -0.75 4.32 4.29 3k9fB1 LYS 406 HB2 0.05 0.04 0.19 -0.04 1.87 2.11 3k9fB1 LYS 406 HB3 0.06 -0.02 0.01 -0.04 1.79 1.79 3k9fB1 LYS 406 HG2 0.09 -0.03 -0.23 -0.04 1.46 1.26 3k9fB1 LYS 406 HG3 0.08 0.29 0.04 -0.04 1.46 1.84 3k9fB1 LYS 406 HD2 0.04 -0.08 -0.28 -0.04 1.69 1.33 3k9fB1 LYS 406 HD3 0.04 -0.01 -0.05 -0.04 1.68 1.61 3k9fB1 LYS 406 HE2 0.04 0.05 -0.04 -0.04 2.99 3.00 3k9fB1 LYS 406 HE3 0.05 -0.14 -0.15 -0.04 2.99 2.70 3k9fB1 VAL 407 H 0.04 0.61 0.09 -0.55 8.24 8.43 3k9fB1 VAL 407 HA 0.00 0.01 0.38 -0.75 4.13 3.77 3k9fB1 VAL 407 HB 0.01 0.08 0.18 -0.04 2.12 2.35 3k9fB1 VAL 407 HG13 -0.03 -0.00 -0.19 -0.04 0.97 0.71 3k9fB1 VAL 407 HG23 0.00 -0.02 0.05 -0.04 0.95 0.94 3k9fB1 SER 408 H -0.01 0.52 -0.08 -0.55 8.46 8.34 3k9fB1 SER 408 HA -0.17 0.04 0.54 -0.75 4.49 4.14 3k9fB1 SER 408 HB2 -0.05 0.41 0.20 -0.04 3.95 4.46 3k9fB1 SER 408 HB3 -0.56 -0.06 -0.08 -0.04 3.93 3.18 3k9fB1 TYR 409 H 0.12 0.41 -0.02 -0.55 8.29 8.25 3k9fB1 TYR 409 HA -0.06 0.20 0.97 -0.75 4.56 4.92 3k9fB1 TYR 409 HB2 0.27 0.06 0.12 -0.04 3.06 3.46 3k9fB1 TYR 409 HB3 -0.19 -0.06 0.15 -0.04 2.98 2.84 3k9fB1 TYR 409 HD2 0.06 0.01 0.00 -0.04 7.15 7.18 3k9fB1 TYR 409 HE2 0.03 -0.01 -0.08 -0.04 6.85 6.75 3k9fB1 ASP 410 H 0.02 0.43 -0.19 -0.55 8.40 8.12 3k9fB1 ASP 410 HA 0.00 0.22 0.40 -0.75 4.63 4.51 3k9fB1 PHE 411 H 0.13 0.18 -0.41 -0.55 8.34 7.69 3k9fB1 PHE 411 HA 0.01 0.04 0.55 -0.75 4.62 4.47 3k9fB1 PHE 411 HB2 0.04 -0.02 -0.23 -0.04 3.15 2.90 3k9fB1 PHE 411 HB3 0.00 -0.08 -0.11 -0.04 3.06 2.83 3k9fB1 PHE 411 HD2 0.02 -0.01 -0.04 -0.04 7.28 7.21 3k9fB1 PHE 411 HE2 -0.10 0.03 0.02 -0.04 7.38 7.29 3k9fB1 PHE 411 HZ -0.11 -0.04 -0.12 -0.04 7.32 7.01 3k9fB1 THR 412 H 0.19 0.05 0.12 -0.55 8.28 8.10 3k9fB1 THR 412 HA 0.11 0.30 0.72 -0.75 4.39 4.77 3k9fB1 THR 412 HB 0.16 -0.12 0.15 -0.04 4.32 4.46 3k9fB1 THR 412 HG23 0.20 0.06 0.04 -0.04 1.22 1.48 3k9fB1 GLU 413 H 0.08 0.21 0.15 -0.55 8.60 8.49 3k9fB1 GLU 413 HA 0.05 0.12 0.19 -0.75 4.29 3.90 3k9fB1 GLU 413 HB2 0.03 0.08 0.08 -0.04 2.09 2.24 3k9fB1 GLU 413 HB3 0.04 -0.02 0.17 -0.04 1.99 2.14 3k9fB1 GLU 413 HG2 0.02 0.05 -0.03 -0.04 2.34 2.34 3k9fB1 GLU 413 HG3 0.03 0.01 -0.30 -0.04 2.34 2.04 3k9fB1 GLU 414 H 0.09 0.09 -0.07 -0.55 8.60 8.17 3k9fB1 GLU 414 HA 0.04 0.11 0.37 -0.75 4.29 4.04 3k9fB1 GLU 414 HB2 0.13 0.09 -0.05 -0.04 2.09 2.21 3k9fB1 GLU 414 HB3 0.05 0.07 0.07 -0.04 1.99 2.14 3k9fB1 GLU 414 HG2 0.23 -0.15 0.03 -0.04 2.34 2.41 3k9fB1 GLU 414 HG3 0.09 0.11 0.01 -0.04 2.34 2.51 3k9fB1 GLN 415 H 0.11 -0.00 -0.35 -0.55 8.47 7.68 3k9fB1 GLN 415 HA -0.05 0.10 0.57 -0.75 4.36 4.23 3k9fB1 GLN 415 HB2 0.11 -0.11 0.11 -0.04 2.15 2.22 3k9fB1 GLN 415 HB3 0.08 0.06 -0.04 -0.04 2.02 2.08 3k9fB1 GLN 415 HG2 -0.14 0.05 0.12 -0.04 2.40 2.40 3k9fB1 GLN 415 HG3 -0.36 -0.05 -0.06 -0.04 2.39 1.88 3k9fB1 GLN 415 HE21 -0.23 0.01 0.05 -0.04 6.97 6.75 3k9fB1 GLN 415 HE22 -0.64 0.52 0.17 -0.04 7.69 7.70 3k9fB1 ALA 416 H 0.03 0.65 -0.15 -0.55 8.40 8.38 3k9fB1 ALA 416 HA -0.17 0.03 0.38 -0.75 4.34 3.82 3k9fB1 ALA 416 HB3 0.01 0.01 0.02 -0.04 1.41 1.41 3k9fB1 GLU 417 H -0.01 0.57 -0.15 -0.55 8.60 8.46 3k9fB1 GLU 417 HA -0.03 -0.01 0.33 -0.75 4.29 3.83 3k9fB1 GLU 417 HB2 -0.00 -0.01 0.07 -0.04 2.09 2.10 3k9fB1 GLU 417 HB3 -0.01 0.09 0.13 -0.04 1.99 2.16 3k9fB1 GLU 417 HG2 -0.00 -0.02 -0.05 -0.04 2.34 2.23 3k9fB1 GLU 417 HG3 -0.02 0.03 -0.23 -0.04 2.34 2.08 3k9fB1 ALA 418 H -0.04 0.38 -0.27 -0.55 8.40 7.92 3k9fB1 ALA 418 HA -0.05 0.04 0.40 -0.75 4.34 3.98 3k9fB1 ALA 418 HB3 -0.05 0.02 0.07 -0.04 1.41 1.40 3k9fB1 ILE 419 H -0.13 0.47 -0.15 -0.55 8.25 7.88 3k9fB1 ILE 419 HA -0.14 0.02 0.48 -0.75 4.18 3.79 3k9fB1 ILE 419 HB -0.23 0.08 0.17 -0.04 1.89 1.87 3k9fB1 ILE 419 HG12 -0.27 -0.05 -0.02 -0.04 1.49 1.11 3k9fB1 ILE 419 HG13 -0.25 0.14 0.08 -0.04 1.21 1.14 3k9fB1 ILE 419 HG23 -0.22 -0.01 -0.20 -0.04 0.93 0.47 3k9fB1 ILE 419 HD13 -0.86 -0.03 -0.11 -0.04 0.88 -0.17 3k9fB1 VAL 420 H -0.10 0.63 -0.07 -0.55 8.24 8.15 3k9fB1 VAL 420 HA -0.07 0.02 0.36 -0.75 4.13 3.69 3k9fB1 VAL 420 HB -0.05 0.22 0.11 -0.04 2.12 2.35 3k9fB1 VAL 420 HG13 -0.03 -0.02 -0.19 -0.04 0.97 0.69 3k9fB1 VAL 420 HG23 -0.05 -0.04 -0.03 -0.04 0.95 0.79 3k9fB1 THR 421 H -0.06 0.35 -0.36 -0.55 8.28 7.66 3k9fB1 THR 421 HA -0.04 0.17 0.98 -0.75 4.39 4.74 3k9fB1 THR 421 HB -0.03 -0.09 0.12 -0.04 4.32 4.27 3k9fB1 THR 421 HG23 -0.03 -0.02 -0.01 -0.04 1.22 1.12 3k9fB1 LEU 422 H -0.08 0.41 -0.28 -0.55 8.37 7.87 3k9fB1 LEU 422 HA -0.11 -0.07 0.47 -0.75 4.35 3.89 3k9fB1 LEU 422 HB2 -0.10 0.08 0.07 -0.04 1.64 1.65 3k9fB1 LEU 422 HB3 -0.13 -0.06 0.01 -0.04 1.64 1.42 3k9fB1 LEU 422 HG -0.10 0.21 0.24 -0.04 1.64 1.95 3k9fB1 LEU 422 HD13 -0.10 -0.02 0.01 -0.04 0.93 0.78 3k9fB1 LEU 422 HD23 -0.10 -0.04 0.02 -0.04 0.89 0.73 3k9fB1 GLN 423 H -0.22 0.02 0.18 -0.55 8.47 7.91 3k9fB1 GLN 423 HA -0.09 0.25 0.71 -0.75 4.36 4.47 3k9fB1 GLN 423 HB2 -0.43 -0.12 0.02 -0.04 2.15 1.58 3k9fB1 GLN 423 HB3 -0.04 -0.06 0.14 -0.04 2.02 2.03 3k9fB1 GLN 423 HG2 -0.04 0.11 0.01 -0.04 2.40 2.44 3k9fB1 GLN 423 HG3 -0.12 0.03 0.12 -0.04 2.39 2.38 3k9fB1 GLN 423 HE21 0.16 0.01 0.02 -0.04 6.97 7.11 3k9fB1 GLN 423 HE22 0.08 -0.01 0.04 -0.04 7.69 7.76 3k9fB1 LEU 424 H -0.03 0.16 0.16 -0.55 8.37 8.10 3k9fB1 LEU 424 HA -0.06 0.16 0.02 -0.75 4.35 3.73 3k9fB1 LEU 424 HB2 0.02 -0.04 0.16 -0.04 1.64 1.75 3k9fB1 LEU 424 HB3 0.01 0.02 -0.03 -0.04 1.64 1.61 3k9fB1 LEU 424 HG -0.01 0.04 0.04 -0.04 1.64 1.67 3k9fB1 LEU 424 HD13 0.01 0.01 0.01 -0.04 0.93 0.91 3k9fB1 LEU 424 HD23 -0.02 0.02 -0.03 -0.04 0.89 0.82 3k9fB1 TYR 425 H 0.07 0.08 -0.07 -0.55 8.29 7.82 3k9fB1 TYR 425 HA -0.01 0.09 0.36 -0.75 4.56 4.25 3k9fB1 TYR 425 HB2 -0.01 0.04 0.09 -0.04 3.06 3.14 3k9fB1 TYR 425 HB3 -0.01 0.00 0.10 -0.04 2.98 3.03 3k9fB1 TYR 425 HD2 -0.01 -0.01 -0.15 -0.04 7.15 6.94 3k9fB1 TYR 425 HE2 -0.01 0.03 -0.04 -0.04 6.85 6.79 3k9fB1 ARG 426 H -0.52 0.26 -0.46 -0.55 8.46 7.19 3k9fB1 ARG 426 HA -0.15 0.01 0.39 -0.75 4.34 3.85 3k9fB1 ARG 426 HB2 -0.21 0.22 0.03 -0.04 1.90 1.90 3k9fB1 ARG 426 HB3 -0.16 0.01 0.06 -0.04 1.80 1.67 3k9fB1 ARG 426 HG2 -0.78 -0.11 0.04 -0.04 1.67 0.77 3k9fB1 ARG 426 HG3 -0.29 -0.05 0.11 -0.04 1.67 1.39 3k9fB1 ARG 426 HD2 -0.17 0.02 0.04 -0.04 3.22 3.07 3k9fB1 ARG 426 HD3 -0.50 -0.04 -0.02 -0.04 3.22 2.63 3k9fB1 LEU 427 H -0.07 0.53 -0.36 -0.55 8.37 7.92 3k9fB1 LEU 427 HA -0.04 0.06 0.30 -0.75 4.35 3.91 3k9fB1 LEU 427 HB2 -0.02 0.13 0.04 -0.04 1.64 1.75 3k9fB1 LEU 427 HB3 -0.02 -0.07 0.00 -0.04 1.64 1.51 3k9fB1 LEU 427 HG -0.06 0.04 -0.01 -0.04 1.64 1.57 3k9fB1 LEU 427 HD13 -0.03 -0.01 -0.02 -0.04 0.93 0.83 3k9fB1 LEU 427 HD23 -0.05 -0.01 -0.05 -0.04 0.89 0.74 3k9fB1 THR 428 H 0.03 0.47 -0.44 -0.55 8.28 7.78 3k9fB1 THR 428 HA 0.02 -0.02 0.44 -0.75 4.39 4.07 3k9fB1 THR 428 HB 0.10 0.34 0.27 -0.04 4.32 4.99 3k9fB1 THR 428 HG23 0.08 -0.05 -0.18 -0.04 1.22 1.02 3k9fB1 ASN 429 H 0.01 0.55 -0.45 -0.55 8.53 8.09 3k9fB1 ASN 429 HA 0.01 0.09 0.93 -0.75 4.76 5.04 3k9fB1 ASN 429 HB2 0.02 0.00 -0.06 -0.04 2.88 2.81 3k9fB1 ASN 429 HB3 0.01 0.09 0.16 -0.04 2.79 3.01 3k9fB1 ASN 429 HD21 0.01 -0.07 0.01 -0.04 7.03 6.93 3k9fB1 ASN 429 HD22 0.01 0.05 -0.00 -0.04 7.74 7.76 3k9fB1 THR 430 H -0.00 0.17 0.01 -0.55 8.28 7.91 3k9fB1 THR 430 HA -0.02 0.27 0.88 -0.75 4.39 4.76 3k9fB1 THR 430 HB -0.01 -0.04 0.16 -0.04 4.32 4.39 3k9fB1 THR 430 HG23 -0.02 -0.01 0.13 -0.04 1.22 1.29 3k9fB1 ASP 431 H -0.01 0.18 -0.25 -0.55 8.40 7.77 3k9fB1 ASP 431 HA -0.01 0.16 0.81 -0.75 4.63 4.85 3k9fB1 ASP 431 HB2 -0.00 0.09 0.11 -0.04 2.71 2.87 3k9fB1 ASP 431 HB3 -0.00 0.04 0.18 -0.04 2.70 2.87 3k9fB1 VAL 432 H -0.01 0.38 0.18 -0.55 8.24 8.25 3k9fB1 VAL 432 HA -0.01 0.12 0.63 -0.75 4.13 4.11 3k9fB1 VAL 432 HB -0.01 0.01 0.18 -0.04 2.12 2.27 3k9fB1 VAL 432 HG13 -0.00 -0.01 -0.16 -0.04 0.97 0.76 3k9fB1 VAL 432 HG23 -0.01 0.03 0.11 -0.04 0.95 1.04 3k9fB1 VAL 433 H -0.00 0.08 -0.25 -0.55 8.24 7.52 3k9fB1 VAL 433 HA -0.00 0.11 0.38 -0.75 4.13 3.86 3k9fB1 VAL 433 HB -0.00 -0.05 0.09 -0.04 2.12 2.12 3k9fB1 VAL 433 HG13 -0.00 0.02 -0.15 -0.04 0.97 0.80 3k9fB1 VAL 433 HG23 -0.00 0.02 0.03 -0.04 0.95 0.95 3k9fB1 VAL 434 H -0.00 0.11 -0.04 -0.55 8.24 7.76 3k9fB1 VAL 434 HA -0.00 0.06 0.43 -0.75 4.13 3.87 3k9fB1 VAL 434 HB -0.00 0.10 0.02 -0.04 2.12 2.20 3k9fB1 VAL 434 HG13 0.00 0.01 -0.03 -0.04 0.97 0.91 3k9fB1 VAL 434 HG23 0.00 -0.01 0.08 -0.04 0.95 0.97 3k9fB1 LEU 435 H -0.01 0.30 -0.37 -0.55 8.37 7.75 3k9fB1 LEU 435 HA -0.01 0.05 0.50 -0.75 4.35 4.14 3k9fB1 LEU 435 HB2 -0.01 0.16 0.15 -0.04 1.64 1.90 3k9fB1 LEU 435 HB3 -0.01 0.01 -0.02 -0.04 1.64 1.58 3k9fB1 LEU 435 HG -0.01 0.03 -0.01 -0.04 1.64 1.61 3k9fB1 LEU 435 HD13 -0.02 -0.00 -0.16 -0.04 0.93 0.71 3k9fB1 LEU 435 HD23 -0.02 -0.00 -0.01 -0.04 0.89 0.82 3k9fB1 GLN 436 H -0.00 0.58 0.04 -0.55 8.47 8.53 3k9fB1 GLN 436 HA -0.00 -0.01 0.43 -0.75 4.36 4.02 3k9fB1 GLN 436 HB2 -0.00 0.07 0.18 -0.04 2.15 2.36 3k9fB1 GLN 436 HB3 -0.00 -0.04 0.03 -0.04 2.02 1.96 3k9fB1 GLN 436 HG2 -0.00 -0.03 0.06 -0.04 2.40 2.38 3k9fB1 GLN 436 HG3 -0.00 0.05 0.10 -0.04 2.39 2.49 3k9fB1 GLN 436 HE21 -0.00 -0.02 -0.02 -0.04 6.97 6.88 3k9fB1 GLN 436 HE22 -0.00 0.01 0.00 -0.04 7.69 7.66 3k9fB1 GLU 437 H -0.00 0.49 -0.33 -0.55 8.60 8.21 3k9fB1 GLU 437 HA -0.00 0.02 0.54 -0.75 4.29 4.09 3k9fB1 GLU 437 HB2 -0.00 0.11 0.17 -0.04 2.09 2.33 3k9fB1 GLU 437 HB3 -0.00 -0.02 0.03 -0.04 1.99 1.95 3k9fB1 GLU 437 HG2 -0.00 -0.02 0.02 -0.04 2.34 2.30 3k9fB1 GLU 437 HG3 -0.00 -0.01 -0.01 -0.04 2.34 2.28 3k9fB1 GLU 438 H -0.00 0.46 -0.04 -0.55 8.60 8.46 3k9fB1 GLU 438 HA -0.00 -0.01 0.40 -0.75 4.29 3.92 3k9fB1 GLU 438 HB2 -0.00 0.01 0.15 -0.04 2.09 2.21 3k9fB1 GLU 438 HB3 -0.00 0.16 0.21 -0.04 1.99 2.31 3k9fB1 GLU 438 HG2 -0.00 -0.01 -0.18 -0.04 2.34 2.11 3k9fB1 GLU 438 HG3 -0.00 -0.05 0.04 -0.04 2.34 2.28 3k9fB1 GLU 439 H -0.00 0.63 -0.16 -0.55 8.60 8.52 3k9fB1 GLU 439 HA -0.00 -0.02 0.38 -0.75 4.29 3.90 3k9fB1 GLU 439 HB2 -0.00 0.01 0.04 -0.04 2.09 2.10 3k9fB1 GLU 439 HB3 -0.00 0.14 0.21 -0.04 1.99 2.30 3k9fB1 GLU 439 HG2 0.00 -0.00 -0.17 -0.04 2.34 2.13 3k9fB1 GLU 439 HG3 0.00 -0.05 0.01 -0.04 2.34 2.26 3k9fB1 ALA 440 H -0.00 0.66 -0.05 -0.55 8.40 8.46 3k9fB1 ALA 440 HA -0.00 -0.05 0.29 -0.75 4.34 3.83 3k9fB1 ALA 440 HB3 -0.00 0.02 0.11 -0.04 1.41 1.50 3k9fB1 GLU 441 H -0.00 0.62 -0.09 -0.55 8.60 8.58 3k9fB1 GLU 441 HA -0.00 -0.01 0.51 -0.75 4.29 4.03 3k9fB1 GLU 441 HB2 0.00 0.02 0.10 -0.04 2.09 2.17 3k9fB1 GLU 441 HB3 -0.00 0.11 0.12 -0.04 1.99 2.18 3k9fB1 GLU 441 HG2 0.00 -0.04 -0.05 -0.04 2.34 2.20 3k9fB1 GLU 441 HG3 0.00 -0.03 0.04 -0.04 2.34 2.31 3k9fB1 LEU 442 H -0.00 0.71 -0.09 -0.55 8.37 8.44 3k9fB1 LEU 442 HA -0.00 -0.01 0.44 -0.75 4.35 4.02 3k9fB1 LEU 442 HB2 -0.00 0.14 0.23 -0.04 1.64 1.97 3k9fB1 LEU 442 HB3 -0.00 -0.08 0.02 -0.04 1.64 1.53 3k9fB1 LEU 442 HG -0.00 0.27 0.05 -0.04 1.64 1.92 3k9fB1 LEU 442 HD13 -0.00 -0.01 -0.12 -0.04 0.93 0.75 3k9fB1 LEU 442 HD23 -0.01 -0.02 0.02 -0.04 0.89 0.84 3k9fB1 ARG 443 H -0.00 0.65 0.02 -0.55 8.46 8.58 3k9fB1 ARG 443 HA -0.00 -0.03 0.31 -0.75 4.34 3.86 3k9fB1 ARG 443 HB2 0.00 0.13 0.10 -0.04 1.90 2.09 3k9fB1 ARG 443 HB3 -0.00 0.03 -0.02 -0.04 1.80 1.77 3k9fB1 ARG 443 HG2 -0.00 -0.02 0.02 -0.04 1.67 1.63 3k9fB1 ARG 443 HG3 0.00 -0.04 0.07 -0.04 1.67 1.65 3k9fB1 ARG 443 HD2 0.00 0.03 -0.04 -0.04 3.22 3.17 3k9fB1 ARG 443 HD3 0.00 -0.01 -0.02 -0.04 3.22 3.15 3k9fB1 GLU 444 H -0.00 0.48 -0.36 -0.55 8.60 8.18 3k9fB1 GLU 444 HA -0.00 0.01 0.71 -0.75 4.29 4.25 3k9fB1 LYS 445 H -0.00 0.54 0.06 -0.55 8.42 8.46 3k9fB1 LYS 445 HA -0.00 0.01 0.55 -0.75 4.32 4.12 3k9fB1 LYS 445 HB2 -0.00 0.13 0.28 -0.04 1.87 2.24 3k9fB1 LYS 445 HB3 -0.00 -0.04 -0.03 -0.04 1.79 1.68 3k9fB1 LYS 445 HG2 0.00 -0.04 0.06 -0.04 1.46 1.44 3k9fB1 LYS 445 HG3 -0.00 0.06 0.08 -0.04 1.46 1.55 3k9fB1 LYS 445 HD2 -0.00 -0.01 0.03 -0.04 1.69 1.66 3k9fB1 LYS 445 HD3 0.00 -0.01 0.00 -0.04 1.68 1.64 3k9fB1 LYS 445 HE2 0.00 -0.01 -0.01 -0.04 2.99 2.93 3k9fB1 LYS 445 HE3 0.00 0.01 -0.03 -0.04 2.99 2.94 3k9fB1 ILE 446 H -0.01 0.66 -0.10 -0.55 8.25 8.26 3k9fB1 ILE 446 HA -0.01 0.01 0.43 -0.75 4.18 3.85 3k9fB1 ILE 446 HB -0.01 0.12 0.13 -0.04 1.89 2.09 3k9fB1 ILE 446 HG12 -0.02 -0.01 0.05 -0.04 1.49 1.47 3k9fB1 ILE 446 HG13 -0.01 0.08 0.02 -0.04 1.21 1.25 3k9fB1 ILE 446 HG23 -0.01 -0.01 -0.12 -0.04 0.93 0.74 3k9fB1 ILE 446 HD13 -0.01 -0.02 -0.17 -0.04 0.88 0.63 3k9fB1 ALA 447 H -0.01 0.52 -0.05 -0.55 8.40 8.32 3k9fB1 ALA 447 HA -0.01 -0.00 0.42 -0.75 4.34 3.99 3k9fB1 ALA 447 HB3 -0.00 0.03 0.11 -0.04 1.41 1.51 3k9fB1 MET 448 H -0.00 0.52 -0.22 -0.55 8.47 8.21 3k9fB1 MET 448 HA -0.01 -0.00 0.47 -0.75 4.52 4.23 3k9fB1 MET 448 HB2 -0.00 -0.02 0.11 -0.04 2.15 2.20 3k9fB1 MET 448 HB3 -0.00 0.18 0.19 -0.04 2.03 2.35 3k9fB1 MET 448 HG2 -0.01 -0.07 -0.12 -0.04 2.63 2.39 3k9fB1 MET 448 HG3 -0.00 -0.03 0.01 -0.04 2.56 2.49 3k9fB1 MET 448 HE3 -0.00 -0.01 -0.05 -0.04 2.10 2.00 3k9fB1 LEU 449 H -0.01 0.63 -0.06 -0.55 8.37 8.39 3k9fB1 LEU 449 HA -0.01 0.02 0.59 -0.75 4.35 4.20 3k9fB1 LEU 449 HB2 -0.01 0.09 0.19 -0.04 1.64 1.87 3k9fB1 LEU 449 HB3 -0.01 -0.04 0.01 -0.04 1.64 1.57 3k9fB1 LEU 449 HG -0.00 0.30 0.08 -0.04 1.64 1.98 3k9fB1 LEU 449 HD13 -0.01 -0.02 -0.16 -0.04 0.93 0.70 3k9fB1 LEU 449 HD23 0.00 -0.02 0.02 -0.04 0.89 0.85 3k9fB1 ALA 450 H -0.01 0.77 -0.01 -0.55 8.40 8.60 3k9fB1 ALA 450 HA -0.01 -0.02 0.37 -0.75 4.34 3.93 3k9fB1 ALA 450 HB3 -0.01 0.03 0.09 -0.04 1.41 1.48 3k9fB1 ALA 451 H -0.01 0.37 -0.52 -0.55 8.40 7.69 3k9fB1 ALA 451 HA -0.01 0.00 0.49 -0.75 4.34 4.07 3k9fB1 ALA 451 HB3 -0.01 0.06 0.10 -0.04 1.41 1.52 3k9fB1 ILE 452 H -0.02 0.50 -0.00 -0.55 8.25 8.18 3k9fB1 ILE 452 HA -0.03 -0.06 0.36 -0.75 4.18 3.70 3k9fB1 ILE 452 HB -0.02 0.11 0.20 -0.04 1.89 2.13 3k9fB1 ILE 452 HG12 -0.02 -0.04 -0.02 -0.04 1.49 1.37 3k9fB1 ILE 452 HG13 -0.01 0.08 0.09 -0.04 1.21 1.32 3k9fB1 ILE 452 HG23 -0.05 -0.01 -0.12 -0.04 0.93 0.71 3k9fB1 ILE 452 HD13 -0.01 -0.02 -0.02 -0.04 0.88 0.79 3k9fB1 ILE 453 H -0.02 0.52 -0.29 -0.55 8.25 7.91 3k9fB1 ILE 453 HA -0.04 0.06 0.42 -0.75 4.18 3.86 3k9fB1 ILE 453 HB -0.02 0.07 0.11 -0.04 1.89 2.01 3k9fB1 ILE 453 HG12 -0.02 -0.01 0.04 -0.04 1.49 1.46 3k9fB1 ILE 453 HG13 -0.02 -0.00 -0.01 -0.04 1.21 1.14 3k9fB1 ILE 453 HG23 -0.02 -0.02 -0.19 -0.04 0.93 0.67 3k9fB1 ILE 453 HD13 -0.01 -0.03 -0.18 -0.04 0.88 0.62 3k9fB1 GLY 454 H -0.02 0.48 -0.11 -0.55 8.43 8.24 3k9fB1 GLY 454 HA2 -0.01 0.10 0.56 -0.51 4.01 4.15 3k9fB1 GLY 454 HA3 -0.01 0.00 0.36 -0.51 4.01 3.85 3k9fB1 ASP 455 H -0.02 0.34 -0.64 -0.55 8.40 7.53 3k9fB1 ASP 455 HA 0.00 0.14 0.97 -0.75 4.63 4.99 3k9fB1 GLU 456 H 0.02 0.23 0.00 -0.55 8.60 8.30 3k9fB1 GLU 456 HA -0.02 0.11 0.43 -0.75 4.29 4.06 3k9fB1 GLU 456 HB2 0.06 0.02 0.16 -0.04 2.09 2.29 3k9fB1 GLU 456 HB3 0.13 -0.01 0.05 -0.04 1.99 2.13 3k9fB1 GLU 456 HG2 0.23 0.01 0.04 -0.04 2.34 2.58 3k9fB1 GLU 456 HG3 0.64 0.01 0.05 -0.04 2.34 3.00 3k9fB1 ARG 457 H 0.06 0.04 -0.34 -0.55 8.46 7.66 3k9fB1 ARG 457 HA 0.13 0.11 0.42 -0.75 4.34 4.24 3k9fB1 THR 458 H 0.02 0.14 0.02 -0.55 8.28 7.90 3k9fB1 THR 458 HA 0.01 0.01 0.47 -0.75 4.39 4.12 3k9fB1 THR 458 HB -0.01 -0.02 -0.01 -0.04 4.32 4.25 3k9fB1 THR 458 HG23 0.00 -0.02 0.03 -0.04 1.22 1.19 3k9fB1 MET 459 H -0.02 0.58 -0.19 -0.55 8.47 8.29 3k9fB1 MET 459 HA -0.07 -0.02 0.45 -0.75 4.52 4.13 3k9fB1 MET 459 HB2 -0.10 0.30 0.11 -0.04 2.15 2.42 3k9fB1 MET 459 HB3 -0.20 0.09 0.19 -0.04 2.03 2.06 3k9fB1 MET 459 HG2 -0.16 -0.07 0.00 -0.04 2.63 2.36 3k9fB1 MET 459 HG3 -0.20 0.03 0.01 -0.04 2.56 2.35 3k9fB1 MET 459 HE3 -0.92 0.01 0.04 -0.04 2.10 1.19 3k9fB1 TYR 460 H 0.03 0.71 0.06 -0.55 8.29 8.54 3k9fB1 TYR 460 HA -0.04 -0.02 0.36 -0.75 4.56 4.10 3k9fB1 TYR 460 HB2 -0.04 0.08 0.18 -0.04 3.06 3.24 3k9fB1 TYR 460 HB3 -0.05 -0.03 -0.01 -0.04 2.98 2.84 3k9fB1 TYR 460 HD2 -0.04 0.05 -0.03 -0.04 7.15 7.08 3k9fB1 TYR 460 HE2 -0.04 -0.06 -0.00 -0.04 6.85 6.71 3k9fB1 ASN 461 H 0.07 0.56 -0.23 -0.55 8.53 8.37 3k9fB1 ASN 461 HA 0.02 0.00 0.60 -0.75 4.76 4.63 3k9fB1 ASN 461 HB2 0.01 0.16 0.21 -0.04 2.88 3.22 3k9fB1 ASN 461 HB3 0.01 -0.09 0.01 -0.04 2.79 2.68 3k9fB1 ASN 461 HD21 0.00 -0.07 -0.11 -0.04 7.03 6.82 3k9fB1 ASN 461 HD22 0.01 -0.06 -0.05 -0.04 7.74 7.60 3k9fB1 LEU 462 H -0.00 0.68 -0.02 -0.55 8.37 8.48 3k9fB1 LEU 462 HA 0.00 -0.05 0.56 -0.75 4.35 4.10 3k9fB1 LEU 462 HB2 -0.02 0.16 0.25 -0.04 1.64 1.99 3k9fB1 LEU 462 HB3 -0.03 0.04 0.11 -0.04 1.64 1.72 3k9fB1 LEU 462 HG -0.01 -0.05 0.07 -0.04 1.64 1.61 3k9fB1 LEU 462 HD13 -0.02 -0.00 0.01 -0.04 0.93 0.88 3k9fB1 LEU 462 HD23 -0.00 -0.03 0.01 -0.04 0.89 0.82 3k9fB1 MET 463 H -0.02 0.51 -0.05 -0.55 8.47 8.36 3k9fB1 MET 463 HA -0.01 0.00 0.33 -0.75 4.52 4.08 3k9fB1 MET 463 HB2 0.04 0.18 0.17 -0.04 2.15 2.50 3k9fB1 MET 463 HB3 0.03 -0.02 -0.08 -0.04 2.03 1.92 3k9fB1 MET 463 HG2 -0.09 -0.01 -0.03 -0.04 2.63 2.46 3k9fB1 MET 463 HG3 -0.13 0.03 -0.06 -0.04 2.56 2.36 3k9fB1 MET 463 HE3 0.03 -0.01 -0.03 -0.04 2.10 2.05 3k9fB1 LYS 464 H 0.03 0.45 -0.32 -0.55 8.42 8.02 3k9fB1 LYS 464 HA 0.03 -0.00 0.42 -0.75 4.32 4.01 3k9fB1 LYS 465 H 0.01 0.65 0.03 -0.55 8.42 8.56 3k9fB1 LYS 465 HA 0.01 -0.04 0.36 -0.75 4.32 3.89 3k9fB1 GLU 466 H 0.02 0.70 -0.09 -0.55 8.60 8.69 3k9fB1 GLU 466 HA 0.05 -0.08 0.33 -0.75 4.29 3.84 3k9fB1 GLU 466 HB2 0.03 0.15 0.13 -0.04 2.09 2.36 3k9fB1 GLU 466 HB3 0.07 -0.00 0.01 -0.04 1.99 2.03 3k9fB1 GLU 466 HG2 0.05 -0.08 0.03 -0.04 2.34 2.29 3k9fB1 GLU 466 HG3 0.02 0.02 0.04 -0.04 2.34 2.38 3k9fB1 LEU 467 H 0.05 0.70 -0.05 -0.55 8.37 8.52 3k9fB1 LEU 467 HA 0.09 0.04 0.46 -0.75 4.35 4.19 3k9fB1 LEU 467 HB2 0.05 0.09 0.22 -0.04 1.64 1.96 3k9fB1 LEU 467 HB3 0.06 -0.10 0.03 -0.04 1.64 1.59 3k9fB1 LEU 467 HG 0.09 0.10 0.11 -0.04 1.64 1.89 3k9fB1 LEU 467 HD13 0.11 -0.03 -0.13 -0.04 0.93 0.83 3k9fB1 LEU 467 HD23 0.22 -0.00 0.03 -0.04 0.89 1.10 3k9fB1 ARG 468 H 0.03 0.75 -0.08 -0.55 8.46 8.61 3k9fB1 ARG 468 HA 0.01 -0.02 0.54 -0.75 4.34 4.12 3k9fB1 ARG 468 HB2 0.01 0.14 0.15 -0.04 1.90 2.16 3k9fB1 ARG 468 HB3 0.00 -0.10 0.04 -0.04 1.80 1.70 3k9fB1 ARG 468 HG2 0.01 -0.06 0.01 -0.04 1.67 1.58 3k9fB1 ARG 468 HG3 0.01 0.18 0.04 -0.04 1.67 1.85 3k9fB1 ARG 468 HD2 0.01 -0.00 -0.03 -0.04 3.22 3.15 3k9fB1 ARG 468 HD3 0.01 -0.05 -0.01 -0.04 3.22 3.12 3k9fB1 GLU 469 H 0.02 0.61 -0.03 -0.55 8.60 8.65 3k9fB1 GLU 469 HA -0.01 -0.03 0.51 -0.75 4.29 4.00 3k9fB1 VAL 470 H 0.03 0.60 -0.06 -0.55 8.24 8.26 3k9fB1 VAL 470 HA -0.10 -0.05 0.40 -0.75 4.13 3.63 3k9fB1 VAL 470 HB 0.05 0.20 0.13 -0.04 2.12 2.47 3k9fB1 VAL 470 HG13 -0.03 -0.04 -0.15 -0.04 0.97 0.72 3k9fB1 VAL 470 HG23 0.03 0.03 -0.02 -0.04 0.95 0.95 3k9fB1 LYS 471 H -0.00 0.44 -0.29 -0.55 8.42 8.01 3k9fB1 LYS 471 HA -0.02 -0.05 0.39 -0.75 4.32 3.89 3k9fB1 LYS 471 HB2 0.00 0.09 0.15 -0.04 1.87 2.07 3k9fB1 LYS 471 HB3 -0.01 0.10 0.19 -0.04 1.79 2.03 3k9fB1 LYS 471 HG2 -0.01 -0.09 0.01 -0.04 1.46 1.32 3k9fB1 LYS 471 HG3 0.00 0.01 0.06 -0.04 1.46 1.49 3k9fB1 LYS 471 HD2 -0.00 0.04 -0.04 -0.04 1.69 1.65 3k9fB1 LYS 471 HD3 0.00 -0.05 -0.07 -0.04 1.68 1.52 3k9fB1 LYS 471 HE2 0.02 -0.00 -0.01 -0.04 2.99 2.96 3k9fB1 LYS 471 HE3 0.01 0.02 -0.02 -0.04 2.99 2.96 3k9fB1 LYS 472 H -0.04 0.59 0.01 -0.55 8.42 8.43 3k9fB1 LYS 472 HA -0.05 -0.02 0.38 -0.75 4.32 3.88 3k9fB1 LYS 473 H -0.18 0.49 -0.12 -0.55 8.42 8.06 3k9fB1 LYS 473 HA -0.29 -0.00 0.29 -0.75 4.32 3.57 3k9fB1 LYS 473 HB2 -0.34 -0.04 0.07 -0.04 1.87 1.52 3k9fB1 LYS 473 HB3 -0.62 0.05 0.09 -0.04 1.79 1.27 3k9fB1 LYS 473 HG2 -2.44 -0.02 -0.26 -0.04 1.46 -1.31 3k9fB1 LYS 473 HG3 -0.71 -0.01 0.01 -0.04 1.46 0.71 3k9fB1 LYS 473 HD2 -0.26 -0.01 -0.02 -0.04 1.69 1.35 3k9fB1 LYS 473 HD3 -0.38 -0.01 -0.06 -0.04 1.68 1.18 3k9fB1 LYS 473 HE2 -0.51 -0.03 -0.07 -0.04 2.99 2.34 3k9fB1 LYS 473 HE3 -0.25 0.00 -0.03 -0.04 2.99 2.68 3k9fB1 PHE 474 H -0.17 0.51 -0.12 -0.55 8.34 8.01 3k9fB1 PHE 474 HA -0.14 0.20 1.01 -0.75 4.62 4.94 3k9fB1 PHE 474 HB2 -0.30 0.10 0.05 -0.04 3.15 2.96 3k9fB1 PHE 474 HB3 -0.26 -0.09 0.12 -0.04 3.06 2.79 3k9fB1 PHE 474 HD2 -0.34 0.10 0.02 -0.04 7.28 7.03 3k9fB1 PHE 474 HE2 -0.83 -0.05 -0.06 -0.04 7.38 6.40 3k9fB1 PHE 474 HZ -0.10 -0.03 -0.20 -0.04 7.32 6.95 3k9fB1 ALA 475 H -0.05 0.51 -0.06 -0.55 8.40 8.26 3k9fB1 ALA 475 HA -0.02 -0.18 0.43 -0.75 4.34 3.82 3k9fB1 ALA 475 HB3 -0.02 0.00 0.09 -0.04 1.41 1.44 3k9fB1 THR 476 H -0.01 0.07 0.28 -0.55 8.28 8.06 3k9fB1 THR 476 HA -0.01 0.16 0.60 -0.75 4.39 4.39 3k9fB1 THR 476 HB -0.00 0.06 0.13 -0.04 4.32 4.46 3k9fB1 THR 476 HG23 0.00 0.03 -0.06 -0.04 1.22 1.15 3k9fB1 PRO 477 HA -0.00 -0.00 0.40 -0.51 4.44 4.33 3k9fB1 PRO 477 HB2 0.00 0.16 0.02 -0.04 2.28 2.42 3k9fB1 PRO 477 HB3 0.00 -0.02 0.13 -0.04 2.02 2.09 3k9fB1 PRO 477 HG2 0.00 0.03 0.09 -0.04 2.03 2.11 3k9fB1 PRO 477 HG3 -0.00 0.02 0.07 -0.04 2.03 2.07 3k9fB1 PRO 477 HD2 0.00 0.13 0.19 -0.04 3.68 3.96 3k9fB1 PRO 477 HD3 -0.00 0.15 0.23 -0.04 3.65 3.99 3k9fB1 ARG 478 H -0.00 0.04 0.19 -0.55 8.46 8.13 3k9fB1 ARG 478 HA -0.02 0.02 0.51 -0.75 4.34 4.10 3k9fB1 ARG 478 HB2 -0.01 -0.06 0.12 -0.04 1.90 1.92 3k9fB1 ARG 478 HB3 -0.01 0.21 0.04 -0.04 1.80 2.00 3k9fB1 ARG 478 HG2 -0.02 -0.03 0.12 -0.04 1.67 1.69 3k9fB1 ARG 478 HG3 -0.01 -0.06 0.13 -0.04 1.67 1.69 3k9fB1 ARG 478 HD2 -0.01 0.03 0.07 -0.04 3.22 3.27 3k9fB1 ARG 478 HD3 -0.01 -0.06 0.07 -0.04 3.22 3.18 3k9fB1 LEU 479 H -0.01 -0.05 0.22 -0.55 8.37 7.99 3k9fB1 LEU 479 HA 0.02 0.17 0.87 -0.75 4.35 4.65 3k9fB1 LEU 479 HB2 0.01 0.02 0.08 -0.04 1.64 1.71 3k9fB1 LEU 479 HB3 0.04 -0.07 -0.02 -0.04 1.64 1.55 3k9fB1 LEU 479 HG 0.02 0.08 -0.12 -0.04 1.64 1.57 3k9fB1 LEU 479 HD13 0.04 0.03 0.03 -0.04 0.93 0.99 3k9fB1 LEU 479 HD23 0.04 -0.02 0.02 -0.04 0.89 0.88 3k9fB1 SER 480 H -0.01 -0.07 0.19 -0.55 8.46 8.02 3k9fB1 SER 480 HA 0.05 0.31 0.53 -0.75 4.49 4.63 3k9fB1 SER 480 HB2 -0.04 0.08 0.11 -0.04 3.95 4.06 3k9fB1 SER 480 HB3 0.07 0.04 -0.04 -0.04 3.93 3.95 3k9fB1 SER 481 H 0.02 0.42 0.30 -0.55 8.46 8.66 3k9fB1 SER 481 HA -0.00 0.20 0.90 -0.75 4.49 4.84 3k9fB1 SER 481 HB2 0.00 -0.02 0.03 -0.04 3.95 3.92 3k9fB1 SER 481 HB3 0.01 0.06 -0.03 -0.04 3.93 3.92 3k9fB1 LEU 482 H -0.01 0.22 0.16 -0.55 8.37 8.20 3k9fB1 LEU 482 HA -0.01 0.31 1.08 -0.75 4.35 4.98 3k9fB1 LEU 482 HB2 -0.02 0.01 0.10 -0.04 1.64 1.69 3k9fB1 LEU 482 HB3 -0.02 -0.09 0.02 -0.04 1.64 1.51 3k9fB1 LEU 482 HG -0.02 0.01 -0.14 -0.04 1.64 1.46 3k9fB1 LEU 482 HD13 -0.02 0.08 -0.20 -0.04 0.93 0.75 3k9fB1 LEU 482 HD23 -0.02 0.06 -0.36 -0.04 0.89 0.53 3k9fB1 GLU 483 H -0.01 0.45 0.26 -0.55 8.60 8.74 3k9fB1 GLU 483 HA -0.02 0.25 0.74 -0.75 4.29 4.51